0 B14R1.4522 C=C(Br)CCC1=CC=CC=C1C(=O)O MCULE-7756520121 [0,0,0,0,0,0|4,0,0]=4 1 B14R1.4522 C=C(C)CCC1=CC=CC=C1C(=O)O MCULE-5465546948 [0,0,0,0,0,0|4,0,0]=4 2 B14R1.4522 C=C(C)COC1=CC=CC=C1C(=O)O MCULE-4644369979 [0,0,0,0,0,0|3,0,0]=3 3 B14R1.4522 C=C(C)CSC1=CC=CC=C1C(=O)N MCULE-1499441520 [0,0,0,0,0,0|2,1,0]=3 4 B14R1.4522 C=C(Cl)CCC1=CC=CC=C1C(=O)O MCULE-6377226889 [0,0,0,0,0,0|4,0,0]=4 5 B14R1.4522 CC(=O)C1=C(C=CC=C1)OCC(=O)N MCULE-4548725272 [0,0,0,0,0,0|2,0,0]=2 6 B14R1.4522 CC(=O)C1=CC=CC=C1OCC(=O)O MCULE-3363266465 [0,0,0,0,0,0|1,0,0]=1 7 B14R1.4522 CC(=O)C1=CC=CC=C1OCC(C)C MCULE-8993929345 [0,0,0,0,0,0|3,0,1]=4 8 B14R1.4522 CC(=O)CCC1=CC=CC=C1N(=O)=O MCULE-7600044113 [0,0,0,0,0,0|4,0,0]=4 9 B14R1.4522 CC(=O)COC1=CC=CC=C1N(=O)=O MCULE-5088899540 [0,0,0,0,0,0|3,0,0]=3 10 B14R1.4522 CC(=O)CSC1=C(N=CC=C1)C(=O)O MCULE-6504247839 [0,0,0,0,0,0|3,1,0]=4 11 B14R1.4522 CC(=O)CSC1=CC=CC=C1C(=O)O MCULE-6104140904 [0,0,0,0,0,0|2,1,0]=3 12 B14R1.4522 CC(=O)CSC1=CC=CC=C1N(=O)=O MCULE-3463329602 [0,0,0,0,0,0|3,1,0]=4 13 B14R1.4522 CC(=O)CSC1=NC=CC=C1C(=O)O MCULE-4657182160 [0,0,0,0,0,0|3,1,0]=4 14 B14R1.4522 CC(C)C1=C(C=CC=C1)CCC(=O)O MCULE-6970608083 [0,0,0,0,0,0|3,0,1]=4 15 B14R1.4522 CC(C)C1=C(C=CC=C1)OCC(=O)O MCULE-3262031420 [0,0,0,0,0,0|2,0,1]=3 16 B14R1.4522 CC(C)C1=CC=CC=C1OCC(=O)N MCULE-7751056866 [0,0,0,0,0,0|3,0,1]=4 17 B14R1.4522 CC(C)COC1=C(C=CC=C1)C(=O)O MCULE-5005785928 [0,0,0,0,0,0|3,0,1]=4 18 B14R1.4522 CC(C)COC1=CC=CC=C1C(=O)Cl MCULE-1215392458 [0,0,0,0,0,0|3,0,1]=4 19 B14R1.4522 CC(C)COC1=CC=CC=C1C(=O)N MCULE-6365786250 [0,0,0,0,0,0|2,0,1]=3 20 B14R1.4522 NC(=O)C1=C(C=CC=C1)CCC(=O)O MCULE-2466282902 [0,0,0,0,0,0|1,0,0]=1 21 B14R1.4522 NC(=O)C1=C(C=CC=C1)NCC(=O)O MCULE-7889488839 [0,0,0,0,0,0|1,0,0]=1 22 B14R1.4522 NC(=O)C1=C(C=CC=C1)OCC(=O)[O-] MCULE-7247474488 [0,0,0,0,0,0|0,0,1]=1 23 B14R1.4522 NC(=O)C1=CC=CC=C1CCN(=O)=O MCULE-7251439797 [0,0,0,0,0,0|2,0,1]=3 24 B14R1.4522 NC(=O)C1=CC=CC=C1OCC(=O)O MCULE-5913894164 [0,0,0,0,0,0|0,0,0]=0 25 B14R1.4522 NC(=O)CNC1=CC=CC=C1C(=O)O MCULE-1789700031 [0,0,0,0,0,0|3,0,0]=3 26 B14R1.4522 NC(=O)COC1=C(C=CC=C1)C(=O)O MCULE-2788333356 [0,0,0,0,0,0|2,0,0]=2 27 B14R1.4522 NC(=O)CSC1=C(C=CC=N1)C(=O)O MCULE-3860720061 [0,0,0,0,0,0|3,1,0]=4 28 B14R1.4522 NC(=O)CSC1=CC=CC=C1C(=O)O MCULE-9086395929 [0,0,0,0,0,0|2,1,0]=3 29 B14R1.4522 NC(=O)CSC1=CC=CC=C1N(=O)=O MCULE-9167114623 [0,0,0,0,0,0|3,1,0]=4 30 B14R1.4522 O=C(Cl)COC1=CC=CC=C1N(=O)=O MCULE-1081379021 [0,0,0,0,0,0|3,0,0]=3 31 B14R1.4522 O=C(O)/C=C/C1=C(C=CC=C1)C(=O)O MCULE-7597048629 [0,0,0,0,0,0|2,0,1]=3 32 B14R1.4522 O=C(O)/C=C/C1=CC=CC=C1N(=O)=O MCULE-1016340001 [0,0,0,0,0,0|3,0,1]=4 33 B14R1.4522 O=C(O)C#CC1=C(C=CC=C1)N(=O)=O MCULE-8869023899 [0,0,0,0,0,0|3,0,1]=4 34 B14R1.4522 O=C(O)C1=C(C=CC=C1)CCN(=O)=O MCULE-9004713169 [0,0,0,0,0,0|3,0,1]=4 35 B14R1.4522 O=C(O)C=CC1=C(C=CC=C1)C(=O)O MCULE-2584094431 [0,0,0,0,0,0|2,0,1]=3 36 B14R1.4522 O=C(O)C=CC1=CC=CC=C1[N+](=O)[O-] MCULE-1714036548 [0,0,0,0,0,0|3,0,1]=4 37 B14R1.4522 O=C(O)CCC1=C(C=CC=C1)B(O)O MCULE-7761254539 [0,0,0,0,0,0|3,0,1]=4 38 B14R1.4522 O=C(O)CCC1=C(C=CC=C1)C(=O)O MCULE-9938671725 [0,0,0,0,0,0|2,0,0]=2 39 B14R1.4522 O=C(O)CCC1=CC=CC=C1N(=O)=O MCULE-1121309373 [0,0,0,0,0,0|3,0,0]=3 40 B14R1.4522 O=C(O)CNC1=C(C=CC=C1)N(=O)=O MCULE-6085538727 [0,0,0,0,0,0|3,0,0]=3 41 B14R1.4522 O=C(O)CNC1=C(C=CC=N1)C(=O)O MCULE-5242443715 [0,0,0,0,0,0|3,0,0]=3 42 B14R1.4522 O=C(O)CNC1=C(C=CC=N1)N(=O)=O MCULE-2633230858 [0,0,0,0,0,0|4,0,0]=4 43 B14R1.4522 O=C(O)CNC1=C(C=NC=C1)N(=O)=O MCULE-2244469629 [0,0,0,0,0,0|4,0,0]=4 44 B14R1.4522 O=C(O)CNC1=CC=CC=C1C(=O)O MCULE-7070341796 [0,0,0,0,0,0|2,0,0]=2 45 B14R1.4522 O=C(O)COC1=C(C=CC=C1)C(=O)O MCULE-9315481619 [0,0,0,0,0,0|1,0,0]=1 46 B14R1.4522 O=C(O)COC1=C(C=CC=C1)C(F)F MCULE-8084055003 [0,0,0,0,0,0|2,0,1]=3 47 B14R1.4522 O=C(O)COC1=C(C=CC=C1)N(=O)=O MCULE-7285451991 [0,0,0,0,0,0|2,0,0]=2 48 B14R1.4522 O=C(O)COC1=CC=CN=C1N(=O)=O MCULE-6102238058 [0,0,0,0,0,0|3,0,0]=3 49 B14R1.4522 O=C(O)CSC1=C(C=CC=C1)C(=O)O MCULE-5082048769 [0,0,0,0,0,0|1,1,0]=2 50 B14R1.4522 O=C(O)CSC1=C(C=CC=N1)C(=O)O MCULE-2158207814 [0,0,0,0,0,0|2,1,0]=3 51 B14R1.4522 O=C(O)CSC1=CC=CC=C1N(=O)=O MCULE-1124871348 [0,0,0,0,0,0|2,1,0]=3 52 B14R1.4522 O=C(O)CSC1=NC=CC=C1N(=O)=O MCULE-7609697207 [0,0,0,0,0,0|3,1,0]=4 53 B14R1.4522 O=C([O-])CNC1=CC=CC=C1C(=O)O MCULE-5192747004 [0,0,0,0,0,0|2,0,1]=3 54 B13R1.90 C=C(C)COC1=CC=CC=C1C=O MCULE-9340845923 [1,0,0,0,0,0|2,0,0]=3 55 B13R1.90 C=CC1=CC=CC=C1OCC(=O)O MCULE-2322182634 [1,0,0,0,0,0|1,0,0]=2 56 B13R1.90 CC(=O)COC1=C(C=CC=C1)C#N MCULE-6506689448 [1,0,0,0,0,0|1,0,2]=4 57 B13R1.90 CC(C)COC1=C(C=CC=C1)C=O MCULE-9883174584 [1,0,0,0,0,0|2,0,1]=4 58 B13R1.90 CC(O)COC1=C(C=CC=C1)CN MCULE-1453682414 [1,0,0,0,0,0|1,0,2]=4 59 B13R1.90 CC(O)COC1=C(C=CC=C1)CN MCULE-1537335028 [1,0,0,0,0,0|1,0,2]=4 60 B13R1.90 CCC1=C(C=CC=C1)CCC(=O)O MCULE-5649569072 [1,0,0,0,0,0|2,0,1]=4 61 B13R1.90 CCC1=C(C=CC=C1)NCC(=O)O MCULE-4975994630 [1,0,0,0,0,0|2,0,1]=4 62 B13R1.90 CCC1=C(C=CC=C1)OCC(=O)O MCULE-9590469317 [1,0,0,0,0,0|1,0,1]=3 63 B13R1.90 COC1=C(C=CC=C1)NCC(=O)O MCULE-9578368069 [1,0,0,0,0,0|3,0,0]=4 64 B13R1.90 COC1=C(C=CC=C1)OCC(=O)N MCULE-9042627931 [1,0,0,0,0,0|3,0,0]=4 65 B13R1.90 COC1=C(C=CC=C1)SCC(=O)O MCULE-7477264520 [1,0,0,0,0,0|2,1,0]=4 66 B13R1.90 COC1=CC=CC=C1CCC(=O)O MCULE-1258270395 [1,0,0,0,0,0|3,0,0]=4 67 B13R1.90 COC1=CC=CC=C1OCC(=O)C MCULE-3613649504 [1,0,0,0,0,0|3,0,0]=4 68 B13R1.90 COC1=CC=CC=C1OCC(=O)Cl MCULE-2612833532 [1,0,0,0,0,0|3,0,0]=4 69 B13R1.90 COC1=CC=CC=C1OCC(=O)O MCULE-3487267475 [1,0,0,0,0,0|2,0,0]=3 70 B13R1.90 COC1=CC=CC=C1OCC(=O)[O-] MCULE-6785914379 [1,0,0,0,0,0|2,0,1]=4 71 B13R1.90 CSC1=CC=CC=C1OCC(=O)O MCULE-5696408001 [1,0,0,0,0,0|2,0,0]=3 72 B13R1.90 N#CC1=C(C=CC=C1)CCC(=O)O MCULE-9936278616 [1,0,0,0,0,0|1,0,2]=4 73 B13R1.90 N#CC1=C(C=CC=C1)NCC(=O)O MCULE-2842796162 [1,0,0,0,0,0|1,0,2]=4 74 B13R1.90 N#CC1=C(C=CC=C1)OCC(=O)O MCULE-3106293154 [1,0,0,0,0,0|0,0,2]=3 75 B13R1.90 N#CC1=CC=CC=C1OCC(=O)N MCULE-8175551418 [1,0,0,0,0,0|1,0,2]=4 76 B13R1.90 NC(=O)COC1=C(C=CC=C1)C=O MCULE-6096725708 [1,0,0,0,0,0|1,0,0]=2 77 B13R1.90 NCC1=C(C=CC=C1)CCC(=O)O MCULE-5925184388 [1,0,0,0,0,0|1,0,1]=3 78 B13R1.90 NCC1=C(C=CC=C1)CCC(=O)O MCULE-9449119489 [1,0,0,0,0,0|1,0,1]=3 79 B13R1.90 NCC1=CC=CC=C1OCC(=O)O MCULE-8665331888 [1,0,0,0,0,0|0,0,1]=2 80 B13R1.90 O=C(O)CCC1=CC=CC=C1CO MCULE-3184331379 [1,0,0,0,0,0|1,0,2]=4 81 B13R1.90 O=C(O)COC1=C(C=CC=C1)CO MCULE-9317810362 [1,0,0,0,0,0|0,0,2]=3 82 B13R1.90 O=CC1=C(C=CC=C1)C=CC(=O)O MCULE-7574152827 [1,0,0,0,0,0|1,0,1]=3 83 B13R1.90 O=CC1=CC=CC=C1/C=C/C(=O)O MCULE-8544601791 [1,0,0,0,0,0|1,0,1]=3 84 B13R1.90 O=CC1=CC=CC=C1OCC(=O)O MCULE-7880702668 [1,0,0,0,0,0|0,0,0]=1 85 B13R1.90 O=CC1=CC=CC=C1OCC(F)F MCULE-5029324001 [1,0,0,0,0,0|2,0,1]=4 86 B13R1.572 C#CCOC1=C(C=CC=C1)C(=O)O MCULE-7741074874 [1,0,0,0,0,0|2,0,1]=4 87 B13R1.572 C#CCOC1=CC=CC=C1C(=O)N MCULE-3799980458 [1,0,0,0,0,0|1,0,1]=3 88 B13R1.572 C=CCCC1=CC=CC=C1C(=O)O MCULE-5632595640 [1,0,0,0,0,0|3,0,0]=4 89 B13R1.572 C=CCNC1=C(C=CC=C1)C(=O)O MCULE-9702416960 [1,0,0,0,0,0|3,0,0]=4 90 B13R1.572 C=CCOC1=C(C=CC=C1)C(=O)O MCULE-1089670819 [1,0,0,0,0,0|2,0,0]=3 91 B13R1.572 C=CCOC1=C(N=CC=C1)C(=O)O MCULE-4255266743 [1,0,0,0,0,0|3,0,0]=4 92 B13R1.572 C=CCOC1=CC=CC=C1C(=O)C MCULE-6800168848 [1,0,0,0,0,0|2,0,0]=3 93 B13R1.572 C=CCOC1=CC=CC=C1C(C)N MCULE-1166335459 [1,0,0,0,0,0|2,0,1]=4 94 B13R1.572 C=CCOC1=CC=CC=C1N(=O)=O MCULE-9533221214 [1,0,0,0,0,0|3,0,0]=4 95 B13R1.572 C=CCSC1=C(C=CC=C1)C(=O)O MCULE-1695833130 [1,0,0,0,0,0|2,1,0]=4 96 B13R1.572 CC(=O)C1=C(C=CC=C1)OCCBr MCULE-1480010588 [1,0,0,0,0,0|2,0,1]=4 97 B13R1.572 CC(=O)C1=CC=CC=C1OCC#N MCULE-1783113678 [1,0,0,0,0,0|2,0,1]=4 98 B13R1.572 CCCOC1=C(C=CC=C1)C(=O)Cl MCULE-8210790334 [1,0,0,0,0,0|2,0,1]=4 99 B13R1.572 CCCOC1=C(C=CC=C1)C(=O)O MCULE-4040231132 [1,0,0,0,0,0|2,0,1]=4 100 B13R1.572 CCCOC1=C(C=CC=C1)C(=S)N MCULE-7349568312 [1,0,0,0,0,0|1,1,1]=4 101 B13R1.572 CCCOC1=C(C=CC=N1)C(=O)N MCULE-2575608500 [1,0,0,0,0,0|2,0,1]=4 102 B13R1.572 CCCOC1=CC=CC=C1C(=N)N MCULE-6467101067 [1,0,0,0,0,0|2,0,1]=4 103 B13R1.572 CCCOC1=CC=CC=C1C(=O)C MCULE-3884621389 [1,0,0,0,0,0|2,0,1]=4 104 B13R1.572 CCCOC1=CC=CC=C1C(=O)N MCULE-3029543543 [1,0,0,0,0,0|1,0,1]=3 105 B13R1.572 CCCSC1=C(C=CC=C1)C(=O)N MCULE-6795941589 [1,0,0,0,0,0|1,1,1]=4 106 B13R1.572 COCOC1=CC=CC=C1C(=O)C MCULE-7840841654 [1,0,0,0,0,0|3,0,0]=4 107 B13R1.572 N#CCOC1=CC=CC=C1C(=O)O MCULE-4069343397 [1,0,0,0,0,0|2,0,1]=4 108 B13R1.572 NC(=O)C1=C(C=CC=C1)OCCCl MCULE-1036908877 [1,0,0,0,0,0|1,0,1]=3 109 B13R1.572 NC(=O)C1=C(C=CC=C1)OCCO MCULE-9109793930 [1,0,0,0,0,0|0,0,1]=2 110 B13R1.572 NC(=O)C1=CC=CC=C1NCCCl MCULE-1849239600 [1,0,0,0,0,0|2,0,1]=4 111 B13R1.572 NC(=O)C1=CC=CC=C1OCCBr MCULE-7751341846 [1,0,0,0,0,0|1,0,1]=3 112 B13R1.572 NCCOC1=CC=CC=C1C(=O)N MCULE-9991178429 [1,0,0,0,0,0|1,0,1]=3 113 B13R1.572 O=C(O)C1=C(C=CC=C1)NCCO MCULE-8120654197 [1,0,0,0,0,0|2,0,1]=4 114 B13R1.572 O=C(O)C1=C(C=CC=C1)OCCO MCULE-7898157705 [1,0,0,0,0,0|1,0,1]=3 115 B13R1.572 O=C(O)C1=C(C=CC=C1)SCCO MCULE-5541181003 [1,0,0,0,0,0|1,1,1]=4 116 B13R1.572 O=C(O)C1=C(N=CC=C1)OCCO MCULE-3685380826 [1,0,0,0,0,0|2,0,1]=4 117 B13R1.572 O=C(O)C1=CC=CC=C1OCCF MCULE-6186730357 [1,0,0,0,0,0|2,0,1]=4 118 B13R1.572 O=C(O)C1=NC=CC=C1OCCO MCULE-4308585496 [1,0,0,0,0,0|2,0,1]=4 119 B13R1.572 O=C(O)C1=NC=CC=C1OCCO MCULE-6759099665 [1,0,0,0,0,0|2,0,1]=4 120 B13R1.572 O=N(=O)C1=CC=CC=C1OCCO MCULE-4282371980 [1,0,0,0,0,0|2,0,1]=4 121 B15R1.985 CCC(C)C1=CC=CC=C1OCC(=O)O MCULE-3833365611 [0,1,0,0,0,0|2,0,1]=4 122 B15R1.985 CNC(=O)C1=CC=CC=C1NCC(=O)O MCULE-4936088460 [0,1,0,0,0,0|1,0,0]=2 123 B15R1.985 COC(=O)C1=C(C=CC=C1)CCC(=O)C MCULE-6434101481 [0,1,0,0,0,0|3,0,0]=4 124 B15R1.985 COC(=O)C1=C(C=CC=C1)CCC(=O)O MCULE-1367807980 [0,1,0,0,0,0|2,0,0]=3 125 B15R1.985 COC(=O)C1=C(C=CC=C1)NCC(=O)O MCULE-2545608035 [0,1,0,0,0,0|2,0,0]=3 126 B15R1.985 COC(=O)C1=C(C=CC=C1)OCC(=O)O MCULE-1628770658 [0,1,0,0,0,0|1,0,0]=2 127 B15R1.985 COC(=O)C1=CC=CC=C1OCC(=O)N MCULE-6655888505 [0,1,0,0,0,0|2,0,0]=3 128 B15R1.985 COC(=O)C1=CC=CC=C1SCC(=O)C MCULE-8769122843 [0,1,0,0,0,0|2,1,0]=4 129 B15R1.985 COC(=O)C1=CC=CC=C1SCC(=O)O MCULE-7347042061 [0,1,0,0,0,0|1,1,0]=3 130 B15R1.985 NNC(=O)C1=CC=CC=C1OCC(F)F MCULE-9948139648 [0,1,0,0,0,0|2,0,1]=4 131 B15R1.1108 COC(=O)C=CC1=C(C=CC=C1)C(=O)N MCULE-2795537827 [0,1,0,0,0,0|1,0,1]=3 132 B15R1.1108 COC(=O)CCC1=C(C=CC=C1)C(=O)O MCULE-4424038426 [0,1,0,0,0,0|2,0,0]=3 133 B15R1.1108 COC(=O)CCC1=C(C=CN=C1)C(=O)O MCULE-6569989021 [0,1,0,0,0,0|3,0,0]=4 134 B15R1.1108 COC(=O)CNC1=C(C=CC=C1)N(=O)=O MCULE-6699449499 [0,1,0,0,0,0|3,0,0]=4 135 B15R1.1108 COC(=O)CNC1=CC=CC=C1C(=O)O MCULE-7937183487 [0,1,0,0,0,0|2,0,0]=3 136 B15R1.1108 COC(=O)COC1=C(C=CC=C1)C(=O)C MCULE-3792134938 [0,1,0,0,0,0|1,0,0]=2 137 B15R1.1108 COC(=O)COC1=C(C=CC=C1)C(=O)O MCULE-8024771932 [0,1,0,0,0,0|1,0,0]=2 138 B15R1.1108 COC(=O)COC1=C(C=CC=N1)N(=O)=O MCULE-7021713591 [0,1,0,0,0,0|3,0,0]=4 139 B15R1.1108 COC(=O)COC1=C(C=NC=C1)N(=O)=O MCULE-9618309828 [0,1,0,0,0,0|3,0,0]=4 140 B15R1.1108 COC(=O)COC1=CC=CC=C1C(=O)N MCULE-5471678888 [0,1,0,0,0,0|0,0,0]=1 141 B15R1.1108 COC(=O)COC1=CC=CC=C1N(=O)=O MCULE-1289254146 [0,1,0,0,0,0|2,0,0]=3 142 B15R1.1108 COC(=O)CSC1=C(C=CC=C1)N(=O)=O MCULE-4187251477 [0,1,0,0,0,0|2,1,0]=4 143 B15R1.1108 COC(=O)CSC1=NC=CC=C1C(=O)O MCULE-6957891823 [0,1,0,0,0,0|2,1,0]=4 144 B15R1.1108 NNC(=O)COC1=CC=CC=C1C(=O)N MCULE-9817530369 [0,1,0,0,0,0|1,0,0]=2 145 B15R1.1108 NNC(=O)COC1=CC=CC=C1N(=O)=O MCULE-4339582468 [0,1,0,0,0,0|3,0,0]=4 146 B15R1.5509 CN(CC(=O)O)C1=C(C=CC=C1)C(=O)O MCULE-7199079546 [0,1,0,0,0,0|2,0,0]=3 147 B15R1.5509 CN(CC(=O)O)C1=C(C=CC=C1)N(=O)=O MCULE-2242946858 [0,1,0,0,0,0|3,0,0]=4 148 B15R1.5509 NC(CC(=O)O)C1=CC=CC=C1N(=O)=O MCULE-2188526777 [0,1,0,0,0,0|3,0,0]=4 149 B15R1.5509 N[C@@H](CC(=O)O)C1=CC=CC=C1[N+](=O)[O-] MCULE-3223381177 [0,1,0,0,0,0|3,0,0]=4 150 B15R1.5509 N[C@@H](CC(=O)O)C1=CC=CC=C1[N+](=O)[O-] MCULE-7800273622 [0,1,0,0,0,0|3,0,0]=4 151 B15R1.5509 N[C@H](CC(=O)O)C1=C(C=CC=C1)[N+](=O)[O-] MCULE-7594430397 [0,1,0,0,0,0|3,0,0]=4 152 B15R1.5509 N[C@H](CC(=O)O)C1=CC=CC=C1[N+](=O)[O-] MCULE-3966893170 [0,1,0,0,0,0|3,0,0]=4 153 B15R1.5509 O=C(O)CC(=O)C1=C(C=CC=C1)C(=O)O MCULE-1093098064 [0,1,0,0,0,0|2,0,0]=3 154 B15R1.5509 O=C(O)CC(=O)C1=C(C=CC=C1)N(=O)=O MCULE-4272264414 [0,1,0,0,0,0|3,0,0]=4 155 B15R1.5509 O=C(O)CS(=O)C1=CC=CC=C1C(=O)O MCULE-5786664890 [0,1,0,0,0,0|1,1,0]=3 156 B15R1.5509 O=C(O)CS(=O)C1=CC=CC=C1N(=O)=O MCULE-9824656918 [0,1,0,0,0,0|2,1,0]=4 157 B15R1.5915 CC(C)(C)C1=C(C=CC=C1)OCC(=O)O MCULE-4189337285 [0,1,0,0,0,0|2,0,1]=4 158 B15R1.5915 CS(=O)(=O)C1=CC=CC=C1OCC(=O)O MCULE-4800863203 [0,1,0,0,0,0|2,0,0]=3 159 B15R1.5915 O=C(O)COC1=C(C=CC=C1)C(F)(F)F MCULE-5883902994 [0,1,0,0,0,0|2,0,1]=4 160 B15R1.6620 CC(C)COC1=C(C=CC=C1C(=O)N)N MCULE-7359602726 [0,1,0,0,0,0|2,0,1]=4 161 B15R1.6620 CC1=CC=CC(=C1CCC(=O)O)N(=O)=O MCULE-6355627054 [0,1,0,0,0,0|3,0,0]=4 162 B15R1.6620 NC(=O)COC1=C(C=CC=C1Br)N(=O)=O MCULE-8066819924 [0,1,0,0,0,0|3,0,0]=4 163 B15R1.6620 O=C(O)CCC1=C(C=CC=C1Cl)N(=O)=O MCULE-7145652474 [0,1,0,0,0,0|3,0,0]=4 164 B15R1.6620 O=C(O)CSC1=C(C=CC=C1N(=O)=O)F MCULE-4666820442 [0,1,0,0,0,0|2,1,0]=4 165 B15R1.8265 O=C(O)COC1=CC=CC(=C1N(=O)=O)F MCULE-2065571346 [0,1,0,0,0,0|2,0,0]=3 166 B15R1.8415 CC(=O)C1=C(C=CC(=C1)Br)OCC(=O)O MCULE-3746684476 [0,1,0,0,0,0|1,0,0]=2 167 B15R1.8415 CC(=O)C1=C(C=CC(=C1)F)OCC(=O)O MCULE-6718608696 [0,1,0,0,0,0|1,0,0]=2 168 B15R1.8415 CC(=O)C1=CC(=CC=C1OCC(=O)O)C MCULE-1971523671 [0,1,0,0,0,0|1,0,0]=2 169 B15R1.8415 CC(=O)COC1=C(C=C(C=C1)Br)N(=O)=O MCULE-3503872936 [0,1,0,0,0,0|3,0,0]=4 170 B15R1.8415 CC(C)C1=C(C=CC(=C1)Br)OCC(=O)O MCULE-4731519367 [0,1,0,0,0,0|2,0,1]=4 171 B15R1.8415 CC(C)COC1=C(C=C(C=C1)Br)C(=O)N MCULE-4373466053 [0,1,0,0,0,0|2,0,1]=4 172 B15R1.8415 CC1=CC(=C(C=C1)OCC(=O)O)C(C)C MCULE-9229224990 [0,1,0,0,0,0|2,0,1]=4 173 B15R1.8415 CC1=CC=C(C(=C1)N(=O)=O)NCC(=O)O MCULE-1243152114 [0,1,0,0,0,0|3,0,0]=4 174 B15R1.8415 CC1=CC=C(C(=C1)N(=O)=O)OCC(=O)Cl MCULE-4935836326 [0,1,0,0,0,0|3,0,0]=4 175 B15R1.8415 CC1=CC=C(C(=C1)N(=O)=O)OCC(=O)N MCULE-1503760856 [0,1,0,0,0,0|3,0,0]=4 176 B15R1.8415 CC1=CC=C(C(=C1)N(=O)=O)OCC(=O)O MCULE-8265670326 [0,1,0,0,0,0|2,0,0]=3 177 B15R1.8415 CC1=NC(=C(C=C1)OCC(=O)O)N(=O)=O MCULE-4439700645 [0,1,0,0,0,0|3,0,0]=4 178 B15R1.8415 NC(=O)C1=CC(=CC=C1OCC(=O)O)Br MCULE-9878131961 [0,1,0,0,0,0|0,0,0]=1 179 B15R1.8415 NC1=CC=C(C(=C1)C(=O)O)SCC(=O)O MCULE-8826620127 [0,1,0,0,0,0|1,1,0]=3 180 B15R1.8415 NC1=CC=C(C(=C1)N(=O)=O)CCC(=O)O MCULE-5177276994 [0,1,0,0,0,0|3,0,0]=4 181 B15R1.8415 NC1=CC=C(C(=C1)N(=O)=O)CCC(=O)O MCULE-6200295145 [0,1,0,0,0,0|3,0,0]=4 182 B15R1.8415 NC1=CC=C(C(=C1)N(=O)=O)OCC(=O)O MCULE-3401463047 [0,1,0,0,0,0|2,0,0]=3 183 B15R1.8415 O=C(O)CCC1=C(C=C(C=C1)Br)N(=O)=O MCULE-7593962172 [0,1,0,0,0,0|3,0,0]=4 184 B15R1.8415 O=C(O)CNC1=C(C=C(C=C1)Cl)N(=O)=O MCULE-2372873653 [0,1,0,0,0,0|3,0,0]=4 185 B15R1.8415 O=C(O)CNC1=CC=C(C=C1C(=O)O)Br MCULE-5965207967 [0,1,0,0,0,0|2,0,0]=3 186 B15R1.8415 O=C(O)COC1=C(C=C(C=C1)F)C(=O)O MCULE-5448009792 [0,1,0,0,0,0|1,0,0]=2 187 B15R1.8415 O=C(O)COC1=C(C=C(C=C1)F)N(=O)=O MCULE-3720994842 [0,1,0,0,0,0|2,0,0]=3 188 B15R1.8415 O=C(O)COC1=CC=C(C=C1N(=O)=O)Cl MCULE-5796510134 [0,1,0,0,0,0|2,0,0]=3 189 B15R1.8415 O=C(O)CSC1=C(C=C(C=C1)Cl)N(=O)=O MCULE-1113327101 [0,1,0,0,0,0|2,1,0]=4 190 B15R1.8415 O=C(O)CSC1=CC=C(C=C1C(=O)O)I MCULE-8584041770 [0,1,0,0,0,0|1,1,0]=3 191 B15R1.8435 CC(=O)C1=C(C=C(C=C1)Cl)OCC(=O)O MCULE-5809193502 [0,1,0,0,0,0|1,0,0]=2 192 B15R1.8435 CC(=O)C1=CC=C(C=C1OCC(=O)O)Br MCULE-5889214886 [0,1,0,0,0,0|1,0,0]=2 193 B15R1.8435 CC(C)COC1=CC(=CC=C1C(=O)N)N MCULE-5180600261 [0,1,0,0,0,0|2,0,1]=4 194 B15R1.8435 CC1=CC(=C(C=C1)C(C)C)OCC(=O)O MCULE-1683297619 [0,1,0,0,0,0|2,0,1]=4 195 B15R1.8435 O=C(O)CCC1=C(C=CC(=C1)F)N(=O)=O MCULE-3117494892 [0,1,0,0,0,0|3,0,0]=4 196 B15R1.8435 O=C(O)COC1=C(C=CC(=C1)F)C(=O)O MCULE-1653218229 [0,1,0,0,0,0|1,0,0]=2 197 B15R1.8435 O=C(O)COC1=CC(=CC=C1N(=O)=O)F MCULE-6898457751 [0,1,0,0,0,0|2,0,0]=3 198 B15R1.8875 CC(=O)C(=O)OC1=CC=CC=C1C(=O)O MCULE-6026053571 [0,1,0,0,0,0|2,0,1]=4 199 B15R1.8875 CC(C)C1=CC=CC=C1OC(C)C(=O)O MCULE-4164981655 [0,1,0,0,0,0|2,0,1]=4 200 B15R1.8875 CC(CC1=CC=CC=C1N(=O)=O)C(=O)O MCULE-3337230912 [0,1,0,0,0,0|3,0,0]=4 201 B15R1.8875 CC(NC1=CC=CC=C1N(=O)=O)C(=O)O MCULE-2156277484 [0,1,0,0,0,0|3,0,0]=4 202 B15R1.8875 CC(OC1=C(C=CC=C1)N(=O)=O)C(=O)O MCULE-8808428983 [0,1,0,0,0,0|2,0,0]=3 203 B15R1.8875 CC(OC1=CC=CC=C1N(=O)=O)C(=O)Cl MCULE-4665718884 [0,1,0,0,0,0|3,0,0]=4 204 B15R1.8875 CC(SC1=C(C=CC=C1)C(=O)O)C(=O)N MCULE-9262182442 [0,1,0,0,0,0|2,1,0]=4 205 B15R1.8875 CC(SC1=C(C=CC=C1)C(=O)O)C(=O)O MCULE-2966765588 [0,1,0,0,0,0|1,1,0]=3 206 B15R1.8875 CC(SC1=C(C=CC=N1)C(=O)N)C(=O)O MCULE-8892183132 [0,1,0,0,0,0|1,1,0]=3 207 B15R1.8875 C[C@@H](OC1=NC=CC=C1[N+](=O)[O-])C(=O)O MCULE-2015173383 [0,1,0,0,0,0|3,0,0]=4 208 B15R1.8875 NC(=O)C1=C(C=CC=C1)CC(N)C(=O)O MCULE-3218211077 [0,1,0,0,0,0|1,0,0]=2 209 B15R1.8875 NC(=O)C1=C(C=CC=C1)C[C@H](N)C(=O)O MCULE-5761387423 [0,1,0,0,0,0|1,0,0]=2 210 B15R1.8875 NC(=O)C1=C(C=CC=C1)NC(=O)C(=O)O MCULE-4376109154 [0,1,0,0,0,0|1,0,1]=3 211 B15R1.8875 NC(=O)C1=CC=CC=C1C[C@@H](N)C(=O)O MCULE-4182337665 [0,1,0,0,0,0|1,0,0]=2 212 B15R1.8875 NC(=O)C1=CC=CC=C1C[C@@H](N)C(=O)O MCULE-6212173801 [0,1,0,0,0,0|1,0,0]=2 213 B15R1.8875 NC(=O)C1=CC=CC=C1C[C@H](N)C(=O)O MCULE-2252853059 [0,1,0,0,0,0|1,0,0]=2 214 B15R1.8875 NC(CC1=CC=CC=C1N(=O)=O)C(=O)O MCULE-6018072056 [0,1,0,0,0,0|3,0,0]=4 215 B15R1.8875 NC(CC1=CC=CC=C1N(=O)=O)C(=O)O MCULE-8280408519 [0,1,0,0,0,0|3,0,0]=4 216 B15R1.8875 N[C@@H](CC1=C(C=CC=C1)[N+](=O)[O-])C(=O)O MCULE-8269836420 [0,1,0,0,0,0|3,0,0]=4 217 B15R1.8875 N[C@@H](CC1=CC=CC=C1[N+](=O)[O-])C(=O)O MCULE-4271133219 [0,1,0,0,0,0|3,0,0]=4 218 B15R1.8875 N[C@H](CC1=CC=CC=C1[N+](=O)[O-])C(=O)O MCULE-2248196988 [0,1,0,0,0,0|3,0,0]=4 219 B15R1.8875 N[C@H](CC1=CC=CC=C1[N+](=O)[O-])C(=O)O MCULE-8948618047 [0,1,0,0,0,0|3,0,0]=4 220 B15R1.8875 O=C(O)C(=O)NC1=CC=CC=C1C(=O)O MCULE-8816649657 [0,1,0,0,0,0|2,0,1]=4 221 B15R1.8875 O=C(O)C1=C(C=CC=C1)CC(Br)C(=O)O MCULE-8024933821 [0,1,0,0,0,0|2,0,0]=3 222 B13R0.179 O=C(O)C=CC=CC=CC=CC(=O)O MCULE-9023622926 [0,0,1,0,0,0|2,0,1]=4 223 B15R2.384 O=C1CCC2=C(N1)C=CC=C2C(=O)O MCULE-5033699893 [0,0,0,1,0,0|3,0,0]=4 224 B15R2.384 O=C1COC2=C(C=CC=C2N1)C(=O)O MCULE-1498649786 [0,0,0,1,0,0|2,0,0]=3 225 B15R2.384 O=C1COC2=C(C=CC=C2N1)N(=O)=O MCULE-4735726115 [0,0,0,1,0,0|3,0,0]=4 226 B15R2.14951 CC(=O)C1CC2=C(C=CC=C2)C(=O)O1 MCULE-8798283850 [0,0,0,1,0,0|3,0,0]=4 227 B15R2.14951 CN1CC(OC2=C1C=CC=C2)C(=O)O MCULE-5841684206 [0,0,0,1,0,0|3,0,0]=4 228 B15R2.14951 NC(=O)C1=CC(=O)C2=CC=CC=C2O1 MCULE-1529659371 [0,0,0,1,0,0|2,0,1]=4 229 B15R2.14951 NC(=O)C1=CC2=C(C=CC=C2)C(=O)N1 MCULE-7304010750 [0,0,0,1,0,0|2,0,1]=4 230 B15R2.14951 NC(=O)C1=NC2=C(C=CC=C2)C(=O)N1 MCULE-9983929962 [0,0,0,1,0,0|2,0,1]=4 231 B15R2.14951 NC1=C2C=CC=CC2=CC(=C1)C(=O)O MCULE-5081256323 [0,0,0,1,0,0|2,0,1]=4 232 B15R2.14951 NC1=C2C=CC=CC2=NC(=C1)C(=O)O MCULE-4018761199 [0,0,0,1,0,0|2,0,1]=4 233 B15R2.14951 O=C(O)C1=CC(=O)C2=C(N1)C=CC=C2 MCULE-4310803796 [0,0,0,1,0,0|2,0,1]=4 234 B15R2.14951 O=C(O)C1=CC(=O)C2=CC=CC=C2O1 MCULE-9387531298 [0,0,0,1,0,0|1,0,1]=3 235 B15R2.14951 O=C(O)C1=CC2=C(C=CC=C2)C(=O)N1 MCULE-8575275090 [0,0,0,1,0,0|1,0,1]=3 236 B15R2.14951 O=C(O)C1=CC2=C(C=CC=C2)C(=O)O1 MCULE-2825805140 [0,0,0,1,0,0|2,0,1]=4 237 B15R2.14951 O=C(O)C1=CC2=CC=CC=C2C(=O)S1 MCULE-4240347478 [0,0,0,1,0,0|2,0,1]=4 238 B15R2.14951 O=C(O)C1=NC2=C(C=CC=C2)C(=O)N1 MCULE-7255562861 [0,0,0,1,0,0|1,0,1]=3 239 B15R2.14951 O=C(O)C1CC(C2=C(O1)C=CC=C2)O MCULE-2276202864 [0,0,0,1,0,0|1,0,2]=4 240 B15R2.14951 O=C(O)[C@H]1C[C@H](C2=C(O1)C=CC=C2)O MCULE-6991892382 [0,0,0,1,0,0|1,0,2]=4 241 B15R2.14951 O=C([O-])C1=NC2=CC=CC=C2C(=O)N1 MCULE-6343457936 [0,0,0,1,0,0|1,0,2]=4 242 B15R2.14951 O=C1CC(CC2=CC=CC=C12)C(=O)O MCULE-9167871622 [0,0,0,1,0,0|2,0,0]=3 243 B15R2.14951 O=C1CC(NC2=C1C=CC=C2)C(=O)O MCULE-4668772511 [0,0,0,1,0,0|2,0,0]=3 244 B15R2.14951 O=C1CC(OC2=CC=CC=C12)C(=O)O MCULE-4926347738 [0,0,0,1,0,0|1,0,0]=2 245 B15R2.14951 O=C1CC(SC2=CC=CC=C12)C(=O)O MCULE-1467187532 [0,0,0,1,0,0|1,1,0]=3 246 B15R2.14951 O=C1C[C@H](CC2=C1C=CC=C2)C(=O)O MCULE-4882614324 [0,0,0,1,0,0|2,0,0]=3 247 B15R2.14951 O=C1NC(CC2=CC=CC=C12)C(=O)O MCULE-8729946381 [0,0,0,1,0,0|1,0,0]=2 248 B15R2.14951 O=C1OC(CC2=C1C=CC=C2)C(=O)O MCULE-6471951001 [0,0,0,1,0,0|2,0,0]=3 249 B15R2.16281 O=C(O)C1CC2=C(S1(=O)=O)C=CC=C2 MCULE-9017340555 [0,0,0,1,0,0|3,0,0]=4 250 B15R2.16319 NC(=O)C1=C(C=CC=C1)OCC2CC2 MCULE-8951499665 [0,0,0,1,0,0|2,0,1]=4 251 B15R2.53147 CC(=O)CC1OC(=O)C2=C1C=CC=C2 MCULE-4960501516 [0,0,0,1,0,0|3,0,0]=4 252 B15R2.53147 CC1=CN(C2=CC=CC=C12)CC(=O)O MCULE-3728551943 [0,0,0,1,0,0|3,0,0]=4 253 B15R2.53147 CC1=NN(C2=CC=CC=C12)CC(=O)O MCULE-7508623368 [0,0,0,1,0,0|2,0,1]=4 254 B15R2.53147 NC(=O)CC1NC(=O)C2=C1C=CC=C2 MCULE-4592384524 [0,0,0,1,0,0|2,0,0]=3 255 B15R2.53147 NC(=O)CC1OC(=O)C2=C1C=CC=C2 MCULE-4997430834 [0,0,0,1,0,0|3,0,0]=4 256 B15R2.53147 O=C(O)/C=C/1\OC(=O)C2=CC=CC=C12 MCULE-5119009909 [0,0,0,1,0,0|2,0,1]=4 257 B15R2.53147 O=C(O)C=C1NC(=O)C2=C1C=CC=C2 MCULE-6154031991 [0,0,0,1,0,0|1,0,1]=3 258 B15R2.53147 O=C(O)C=C1OC(=O)C2=CC=CC=C12 MCULE-4693473933 [0,0,0,1,0,0|2,0,1]=4 259 B15R2.53147 O=C(O)CC1CC(=O)C2=CC=CC=C12 MCULE-7248800520 [0,0,0,1,0,0|2,0,0]=3 260 B15R2.53147 O=C(O)CC1NC(=O)C2=C1C=CC=C2 MCULE-3812791189 [0,0,0,1,0,0|1,0,0]=2 261 B15R2.53147 O=C(O)CC1OC(=O)C2=C1C=CC=C2 MCULE-9308392772 [0,0,0,1,0,0|2,0,0]=3 262 B15R2.53147 O=C(O)CN1SC(=O)C2=C1C=CC=C2 MCULE-3543916824 [0,0,0,1,0,0|2,0,0]=3 263 B13R1.589 C=C(Br)CC1=C(C=CC=C1)C(=O)O MCULE-2523429493 [0,0,0,0,1,0|3,0,0]=4 264 B13R1.589 C=C(C)CC1=C(C=CC=C1)C(=O)O MCULE-9204819801 [0,0,0,0,1,0|3,0,0]=4 265 B13R1.589 C=C(Cl)CC1=C(C=CC=C1)C(=O)O MCULE-9654249889 [0,0,0,0,1,0|3,0,0]=4 266 B13R1.589 CC(=O)CC1=C(C=CC=C1)N(=O)=O MCULE-8058926258 [0,0,0,0,1,0|3,0,0]=4 267 B13R1.589 CC(=O)CC1=CC=CC=C1C(=O)O MCULE-9138117669 [0,0,0,0,1,0|2,0,0]=3 268 B13R1.589 CC(=O)NC1=C(C=CC=C1)C(=O)C MCULE-7612602253 [0,0,0,0,1,0|3,0,0]=4 269 B13R1.589 CC(=O)NC1=C(C=CC=C1)C(=O)N MCULE-5393805902 [0,0,0,0,1,0|2,0,0]=3 270 B13R1.589 CC(=O)NC1=C(C=NC=C1)C(=O)N MCULE-8367142153 [0,0,0,0,1,0|3,0,0]=4 271 B13R1.589 CC(=O)NC1=CC=CC=C1C(=O)O MCULE-5493843354 [0,0,0,0,1,0|3,0,0]=4 272 B13R1.589 CC(=O)OC1=C(C=CC=C1)C(=O)C MCULE-4610880324 [0,0,0,0,1,0|2,0,0]=3 273 B13R1.589 CC(=O)OC1=C(C=CC=C1)C(=O)Cl MCULE-4612770101 [0,0,0,0,1,0|2,0,0]=3 274 B13R1.589 CC(=O)OC1=C(C=CC=C1)C(=O)O MCULE-3199019536 [0,0,0,0,1,0|2,0,0]=3 275 B13R1.589 CC(=O)OC1=C(C=CC=C1)N(=O)=O MCULE-7872839877 [0,0,0,0,1,0|3,0,0]=4 276 B13R1.589 CC(=O)OC1=CC=CC=C1C(=O)N MCULE-7791245774 [0,0,0,0,1,0|1,0,0]=2 277 B13R1.589 CC(=O)OC1=CC=CC=C1C(=O)[O-] MCULE-1298755950 [0,0,0,0,1,0|2,0,0]=3 278 B13R1.589 CC(=O)SC1=CC=CC=C1C(=O)O MCULE-5814875567 [0,0,0,0,1,0|2,1,0]=4 279 B13R1.589 CC(C)C1=C(C=CC=C1)CC(=O)O MCULE-2691665644 [0,0,0,0,1,0|2,0,1]=4 280 B13R1.589 CC(C)OC1=CC=CC=C1C(=O)N MCULE-2735240047 [0,0,0,0,1,0|2,0,1]=4 281 B13R1.589 CN(C)C1=CC=CC=C1CC(=O)O MCULE-3458324136 [0,0,0,0,1,0|3,0,0]=4 282 B13R1.589 CN(C)C1=CC=CC=C1CC(=O)O MCULE-9973852705 [0,0,0,0,1,0|3,0,0]=4 283 B13R1.589 CS(=O)C1=C(C=CC=C1)CC(=O)O MCULE-9403002843 [0,0,0,0,1,0|2,0,0]=3 284 B13R1.589 NC(=O)C1=C(C=CC=C1)CC(=O)O MCULE-9735756944 [0,0,0,0,1,0|0,0,0]=1 285 B13R1.589 NC(=O)CC1=C(C=CC=C1)N(=O)=O MCULE-5406561312 [0,0,0,0,1,0|3,0,0]=4 286 B13R1.589 NC(=O)CC1=CC=CC=C1C(=O)O MCULE-9127524097 [0,0,0,0,1,0|2,0,0]=3 287 B13R1.589 NC(=O)NC1=C(C=CC=C1)C(=O)O MCULE-1350021651 [0,0,0,0,1,0|3,0,0]=4 288 B13R1.589 O=C(Cl)CC1=C(C=CC=C1)N(=O)=O MCULE-2076605463 [0,0,0,0,1,0|3,0,0]=4 289 B13R1.589 O=C(O)CC1=C(C=CC=C1)C(=O)O MCULE-3233814444 [0,0,0,0,1,0|1,0,0]=2 290 B13R1.589 O=C(O)CC1=C(N=CC=C1)C(=O)O MCULE-2816559837 [0,0,0,0,1,0|2,0,0]=3 291 B13R1.589 O=C(O)CC1=CC=CC=C1B(O)O MCULE-2580240403 [0,0,0,0,1,0|2,0,1]=4 292 B13R1.589 O=C(O)CC1=CC=CC=C1N(=O)=O MCULE-3522722427 [0,0,0,0,1,0|2,0,0]=3 293 B13R1.589 O=C(O)CC1=NC=CC=C1N(=O)=O MCULE-5083126449 [0,0,0,0,1,0|3,0,0]=4 294 B13R1.589 O=C(O)OC1=C(N=CC=C1)C(=O)O MCULE-1338511880 [0,0,0,0,1,0|2,0,0]=3 295 B13R1.3576 NC(=O)C1=CC=NN1CCC(=O)O MCULE-8862527230 [0,0,0,0,1,0|3,0,0]=4 296 B15R1.5914 CC(=O)CC1=C(C=CC=C1)OCC(=O)O MCULE-4269171741 [0,0,0,0,0,1|1,0,0]=2 297 B15R1.5914 CC(=O)NC1=C(C=CC=C1)OCC(C)O MCULE-6355240180 [0,0,0,0,0,1|2,0,1]=4 298 B15R1.5914 CC(=O)NC1=CC=CC=C1C=CC(=O)O MCULE-2526891038 [0,0,0,0,0,1|2,0,1]=4 299 B15R1.5914 CC(=O)NC1=CC=CC=C1CCC(=O)O MCULE-8774516982 [0,0,0,0,0,1|2,0,0]=3 300 B15R1.5914 CC(=O)NC1=CC=CC=C1OCC(=O)O MCULE-7306256030 [0,0,0,0,0,1|1,0,0]=2 301 B15R1.5914 CC(=O)NC1=CC=CC=C1SCC(=O)O MCULE-4948114157 [0,0,0,0,0,1|1,1,0]=3 302 B15R1.5914 CC(=O)OC1=CC=CC=C1/C=C/C(=O)O MCULE-1796759102 [0,0,0,0,0,1|2,0,1]=4 303 B15R1.5914 CC(=O)OC1=CC=CC=C1C=CC(=O)O MCULE-2386313339 [0,0,0,0,0,1|2,0,1]=4 304 B15R1.5914 CC(=O)OC1=CC=CC=C1CCC(=O)O MCULE-6922327203 [0,0,0,0,0,1|2,0,0]=3 305 B15R1.8882 CC(C)C1=C(C=CC=C1)OCCC(=O)O MCULE-6821026671 [0,0,0,0,0,1|2,0,1]=4 306 B15R1.8882 CC(C)CCOC1=C(C=CC=C1)C(=O)N MCULE-7835542585 [0,0,0,0,0,1|2,0,1]=4 307 B15R1.8882 NC(=O)C1=C(C=CC=C1)OCCC(=O)O MCULE-5366729688 [0,0,0,0,0,1|0,0,0]=1 308 B15R1.8882 O=C(O)CCCC1=CC=CC=C1C(=O)O MCULE-2920528773 [0,0,0,0,0,1|2,0,0]=3 309 B15R1.8882 O=C(O)CCCC1=CC=CC=C1N(=O)=O MCULE-4449407937 [0,0,0,0,0,1|3,0,0]=4 310 B15R1.8882 O=C(O)CCNC1=C(C=CC=C1)N(=O)=O MCULE-7510321589 [0,0,0,0,0,1|3,0,0]=4 311 B15R1.8882 O=C(O)CCNC1=CC=CC=C1C(=O)O MCULE-9090913741 [0,0,0,0,0,1|2,0,0]=3 312 B15R1.8882 O=C(O)CCOC1=C(C=CC=C1)N(=O)=O MCULE-1516287091 [0,0,0,0,0,1|2,0,0]=3 313 B15R1.8882 O=C(O)CCSC1=C(C=CC=C1)C(=O)O MCULE-5392426794 [0,0,0,0,0,1|1,1,0]=3 314 B15R1.8882 O=C(O)CCSC1=NC=CC=C1C(=O)O MCULE-8885194364 [0,0,0,0,0,1|2,1,0]=4 315 B15R1.8882 O=C(O)CNCC1=CC=CC=C1N(=O)=O MCULE-9980290991 [0,0,0,0,0,1|3,0,0]=4 316 B15R1.8882 O=C(O)CSCC1=CC=CC=C1N(=O)=O MCULE-3541870452 [0,0,0,0,0,1|2,1,0]=4 317 B12R1.121 C#CCOC1=CC=CC=C1C=O MCULE-5266861376 [2,0,0,0,0,0|1,0,1]=4 318 B12R1.121 C=CCCC1=C(C=CC=C1)C=O MCULE-3999997599 [2,0,0,0,0,0|2,0,0]=4 319 B12R1.121 C=CCOC1=C(C=CC=C1)C=O MCULE-7006905286 [2,0,0,0,0,0|1,0,0]=3 320 B12R1.121 C=CCOC1=C(C=CC=C1)CN MCULE-7177955104 [2,0,0,0,0,0|1,0,1]=4 321 B12R1.121 CCCOC1=CC=CC=C1C=O MCULE-7807414930 [2,0,0,0,0,0|1,0,1]=4 322 B12R1.121 COC1=CC=CC=C1OCC=O MCULE-4925739468 [2,0,0,0,0,0|2,0,0]=4 323 B12R1.121 N#CCOC1=C(C=CC=C1)C=O MCULE-7863978100 [2,0,0,0,0,0|1,0,1]=4 324 B12R1.121 NCC1=C(C=CC=C1)OCCO MCULE-1691957030 [2,0,0,0,0,0|0,0,2]=4 325 B12R1.121 NCC1=C(C=CC=C1)OCCO MCULE-4798168616 [2,0,0,0,0,0|0,0,2]=4 326 B12R1.121 O=CC1=C(C=CC=C1)OCCCl MCULE-1073530018 [2,0,0,0,0,0|1,0,1]=4 327 B12R1.121 O=CC1=C(C=CC=C1)OCCF MCULE-3166781700 [2,0,0,0,0,0|1,0,1]=4 328 B12R1.121 O=CC1=CC=CC=C1OCCBr MCULE-4427069708 [2,0,0,0,0,0|1,0,1]=4 329 B12R1.121 O=CC1=CC=CC=C1OCCO MCULE-7840607650 [2,0,0,0,0,0|0,0,1]=3 330 B12R1.125 C=C(C)COC1=CC=CC=C1N MCULE-3008134900 [2,0,0,0,0,0|2,0,0]=4 331 B12R1.125 C=C(C)COC1=CC=CC=C1N MCULE-3466503663 [2,0,0,0,0,0|2,0,0]=4 332 B12R1.125 CC(=O)COC1=C(C=CC=C1)Br MCULE-1661012462 [2,0,0,0,0,0|2,0,0]=4 333 B12R1.125 CC(=O)COC1=C(C=CC=C1)Cl MCULE-9411965008 [2,0,0,0,0,0|2,0,0]=4 334 B12R1.125 CC1=C(C=CC=C1)CCC(=O)O MCULE-1863841147 [2,0,0,0,0,0|1,0,1]=4 335 B12R1.125 CC1=C(C=CC=C1)OCC(=O)O MCULE-7437954656 [2,0,0,0,0,0|0,0,1]=3 336 B12R1.125 CC1=C(C=CC=C1)SCC(=O)O MCULE-3348543127 [2,0,0,0,0,0|0,1,1]=4 337 B12R1.125 CC1=CC=CC=C1NCC(=O)O MCULE-9934026722 [2,0,0,0,0,0|1,0,1]=4 338 B12R1.125 CC1=CC=CC=C1OCC(=O)Cl MCULE-5287648365 [2,0,0,0,0,0|1,0,1]=4 339 B12R1.125 CC1=CC=CC=C1OCC(=O)N MCULE-7049614745 [2,0,0,0,0,0|1,0,1]=4 340 B12R1.125 NC(=O)CCC1=C(C=CC=C1)N MCULE-7163988486 [2,0,0,0,0,0|2,0,0]=4 341 B12R1.125 NC(=O)COC1=C(C=CC=C1)Br MCULE-6843547928 [2,0,0,0,0,0|2,0,0]=4 342 B12R1.125 NC(=O)COC1=C(C=CC=C1)I MCULE-2786204561 [2,0,0,0,0,0|2,0,0]=4 343 B12R1.125 NC(=O)COC1=C(C=CC=C1)O MCULE-2154592280 [2,0,0,0,0,0|1,0,1]=4 344 B12R1.125 NC(=O)COC1=CC=CC=C1Cl MCULE-6372008313 [2,0,0,0,0,0|2,0,0]=4 345 B12R1.125 NC(=O)COC1=CC=CC=C1F MCULE-8187026469 [2,0,0,0,0,0|2,0,0]=4 346 B12R1.125 NC(=O)CSC1=CC=CC=C1N MCULE-8446030479 [2,0,0,0,0,0|1,1,0]=4 347 B12R1.125 NC1=C(C=CC=C1)C=CC(=O)O MCULE-1813623710 [2,0,0,0,0,0|1,0,1]=4 348 B12R1.125 NC1=C(C=CC=C1)SCC(=O)O MCULE-2684589425 [2,0,0,0,0,0|0,1,0]=3 349 B12R1.125 O=C(Cl)COC1=C(C=CC=C1)Cl MCULE-7639131412 [2,0,0,0,0,0|2,0,0]=4 350 B12R1.125 O=C(Cl)COC1=CC=CC=C1Br MCULE-2315611440 [2,0,0,0,0,0|2,0,0]=4 351 B12R1.125 O=C(Cl)COC1=CC=CC=C1F MCULE-5828946736 [2,0,0,0,0,0|2,0,0]=4 352 B12R1.125 O=C(O)CCC1=C(C=CC=C1)Br MCULE-8663170653 [2,0,0,0,0,0|2,0,0]=4 353 B12R1.125 O=C(O)CCC1=C(C=CC=C1)Cl MCULE-2881103060 [2,0,0,0,0,0|2,0,0]=4 354 B12R1.125 O=C(O)CCC1=C(C=CC=C1)F MCULE-6298600610 [2,0,0,0,0,0|2,0,0]=4 355 B12R1.125 O=C(O)CCC1=C(C=CC=C1)O MCULE-1055140821 [2,0,0,0,0,0|1,0,1]=4 356 B12R1.125 O=C(O)CCC1=CC=CC=C1I MCULE-2650420493 [2,0,0,0,0,0|2,0,0]=4 357 B12R1.125 O=C(O)CCN1C=CC=CC1=O MCULE-4101713123 [2,0,0,0,0,0|2,0,0]=4 358 B12R1.125 O=C(O)CCN1C=CC=CC1=O MCULE-5586331788 [2,0,0,0,0,0|2,0,0]=4 359 B12R1.125 O=C(O)CNC1=C(C=CC=C1)Br MCULE-2469324501 [2,0,0,0,0,0|2,0,0]=4 360 B12R1.125 O=C(O)CNC1=C(C=CC=C1)Cl MCULE-3724211762 [2,0,0,0,0,0|2,0,0]=4 361 B12R1.125 O=C(O)CNC1=C(C=CC=C1)F MCULE-7862978402 [2,0,0,0,0,0|2,0,0]=4 362 B12R1.125 O=C(O)COC1=C(C=CC=C1)Br MCULE-6691121226 [2,0,0,0,0,0|1,0,0]=3 363 B12R1.125 O=C(O)COC1=C(C=CC=C1)I MCULE-8125182578 [2,0,0,0,0,0|1,0,0]=3 364 B12R1.125 O=C(O)COC1=C(C=CC=N1)F MCULE-5006742111 [2,0,0,0,0,0|2,0,0]=4 365 B12R1.125 O=C(O)COC1=C(N=CC=C1)Cl MCULE-7753759406 [2,0,0,0,0,0|2,0,0]=4 366 B12R1.125 O=C(O)COC1=CC=CC=C1Cl MCULE-3851170810 [2,0,0,0,0,0|1,0,0]=3 367 B12R1.125 O=C(O)COC1=CC=CC=C1F MCULE-6414470288 [2,0,0,0,0,0|1,0,0]=3 368 B12R1.125 O=C(O)COC1=CC=CC=C1O MCULE-3539626165 [2,0,0,0,0,0|0,0,1]=3 369 B12R1.125 O=C(O)COC1=CC=CN=C1Br MCULE-1340033620 [2,0,0,0,0,0|2,0,0]=4 370 B12R1.125 O=C(O)CSC1=C(C=CC=C1)Br MCULE-6245797989 [2,0,0,0,0,0|1,1,0]=4 371 B12R1.125 O=C(O)CSC1=C(C=CC=C1)Cl MCULE-8471018138 [2,0,0,0,0,0|1,1,0]=4 372 B12R1.125 O=C(O)CSC1=C(C=CC=C1)F MCULE-6358016234 [2,0,0,0,0,0|1,1,0]=4 373 B12R1.125 O=C(O)CSC1=C(C=CC=C1)O MCULE-9851363930 [2,0,0,0,0,0|0,1,1]=4 374 B12R1.283 C=CCC1=CC=CC=C1C(=O)N MCULE-9817782356 [2,0,0,0,0,0|1,0,0]=3 375 B12R1.283 C=CCC1=CC=CC=C1C(=O)O MCULE-1091378974 [2,0,0,0,0,0|2,0,0]=4 376 B12R1.283 CC(=O)C1=CC=CC=C1NC=O MCULE-7637587581 [2,0,0,0,0,0|2,0,0]=4 377 B12R1.283 CCOC1=C(C=CC=C1)C(=N)N MCULE-5922998663 [2,0,0,0,0,0|1,0,1]=4 378 B12R1.283 CCOC1=C(C=CC=C1)C(=N)N MCULE-7041745200 [2,0,0,0,0,0|1,0,1]=4 379 B12R1.283 CCOC1=C(C=CC=C1)C(=O)C MCULE-1751068861 [2,0,0,0,0,0|1,0,1]=4 380 B12R1.283 CCOC1=C(C=CC=C1)C(=S)N MCULE-9679793141 [2,0,0,0,0,0|0,1,1]=4 381 B12R1.283 CCOC1=C(C=CC=N1)C(=O)N MCULE-8595017314 [2,0,0,0,0,0|1,0,1]=4 382 B12R1.283 CCOC1=CC=CC=C1C(=O)Cl MCULE-9111125316 [2,0,0,0,0,0|1,0,1]=4 383 B12R1.283 CCOC1=CC=CC=C1C(=O)N MCULE-4151494884 [2,0,0,0,0,0|0,0,1]=3 384 B12R1.283 CCOC1=CC=CC=C1C(=O)O MCULE-8428889014 [2,0,0,0,0,0|1,0,1]=4 385 B12R1.283 O=CCC1=CC=CC=C1N(=O)=O MCULE-8051653577 [2,0,0,0,0,0|2,0,0]=4 386 B12R1.283 O=CNC1=C(C=CC=C1)C(=O)O MCULE-3344929418 [2,0,0,0,0,0|2,0,0]=4 387 B14R1.118 N#CC1=C(C=CC=C1Br)OCC(=O)O MCULE-7073327415 [1,1,0,0,0,0|0,0,2]=4 388 B14R1.482 C=CCC1=CC=CC=C1CCC(=O)O MCULE-8510726916 [1,1,0,0,0,0|2,0,0]=4 389 B14R1.482 C=CCC1=CC=CC=C1OCC(=O)N MCULE-1094687785 [1,1,0,0,0,0|2,0,0]=4 390 B14R1.482 C=CCC1=CC=CC=C1OCC(=O)O MCULE-9587986229 [1,1,0,0,0,0|1,0,0]=3 391 B14R1.482 CCCC1=CC=CC=C1OCC(=O)O MCULE-4342520465 [1,1,0,0,0,0|1,0,1]=4 392 B14R1.482 CCOC1=C(C=CC=C1)OCC(=O)O MCULE-2394958933 [1,1,0,0,0,0|1,0,1]=4 393 B14R1.482 O=C(O)COC1=CC=CC=C1C=NO MCULE-6400631337 [1,1,0,0,0,0|0,0,1]=3 394 B14R1.863 CCC1=C(C=CC=C1)OCC(=O)OC MCULE-8164594264 [1,1,0,0,0,0|1,0,1]=4 395 B14R1.863 CNC(=O)COC1=C(C=CC=C1)C=O MCULE-2287680589 [1,1,0,0,0,0|1,0,0]=3 396 B14R1.863 COC(=O)COC1=C(C=CC=C1)CN MCULE-4896281893 [1,1,0,0,0,0|0,0,1]=3 397 B14R1.863 COC(=O)COC1=C(C=CC=C1)CN MCULE-8067512968 [1,1,0,0,0,0|0,0,1]=3 398 B14R1.863 COC(=O)COC1=C(C=CC=C1)OC MCULE-3049830468 [1,1,0,0,0,0|2,0,0]=4 399 B14R1.863 COC(=O)COC1=CC=CC=C1C#N MCULE-8811640217 [1,1,0,0,0,0|0,0,2]=4 400 B14R1.863 COC(=O)COC1=CC=CC=C1C=O MCULE-1463776532 [1,1,0,0,0,0|0,0,0]=2 401 B14R1.863 O=CC1=C(C=CC=C1)OCC(O)CO MCULE-5409739922 [1,1,0,0,0,0|0,0,2]=4 402 B14R1.1600 CC1=CC(=C(C=C1)OCC(=O)O)C=O MCULE-6188698048 [1,1,0,0,0,0|0,0,0]=2 403 B14R1.1600 CCC1=CC(=CC=C1OCC(=O)O)Br MCULE-1813534967 [1,1,0,0,0,0|1,0,1]=4 404 B14R1.1600 CCC1=CC(=CC=C1OCC(=O)O)F MCULE-5458549802 [1,1,0,0,0,0|1,0,1]=4 405 B14R1.1600 COC1=C(C=CC(=C1)F)OCC(=O)O MCULE-7404098468 [1,1,0,0,0,0|2,0,0]=4 406 B14R1.1600 COC1=CC(=CC=C1OCC(=O)O)C MCULE-4060985766 [1,1,0,0,0,0|2,0,0]=4 407 B14R1.1600 COC1=CC(=CC=C1OCC(=O)O)Cl MCULE-2277744510 [1,1,0,0,0,0|2,0,0]=4 408 B14R1.1600 N#CC1=CC(=CC=C1OCC(=O)O)Br MCULE-8096207417 [1,1,0,0,0,0|0,0,2]=4 409 B14R1.1600 N#CC1=CC(=CC=C1OCC(=O)O)Cl MCULE-3429630711 [1,1,0,0,0,0|0,0,2]=4 410 B14R1.1600 NC(=O)COC1=CC=C(C=C1C=O)Br MCULE-3837689921 [1,1,0,0,0,0|1,0,0]=3 411 B14R1.1600 NC(=O)COC1=CC=C(C=C1C=O)Cl MCULE-5590122149 [1,1,0,0,0,0|1,0,0]=3 412 B14R1.1600 NCC1=C(C=CC(=C1)Cl)OCC(=O)N MCULE-7177502969 [1,1,0,0,0,0|1,0,1]=4 413 B14R1.1600 O=C(O)COC1=C(C=C(C=C1)Cl)CCl MCULE-3489141424 [1,1,0,0,0,0|1,0,1]=4 414 B14R1.1600 O=C(O)COC1=CC=C(C=C1CO)Br MCULE-6729250214 [1,1,0,0,0,0|0,0,2]=4 415 B14R1.1600 O=C(O)COC1=CC=C(C=C1CO)Cl MCULE-3483771527 [1,1,0,0,0,0|0,0,2]=4 416 B14R1.1600 O=CC1=C(C=CC(=C1)Br)OCC(=O)O MCULE-3263948503 [1,1,0,0,0,0|0,0,0]=2 417 B14R1.1600 O=CC1=CC(=CC=C1OCC(=O)O)Cl MCULE-8000316948 [1,1,0,0,0,0|0,0,0]=2 418 B14R1.1600 O=CC1=CC(=CC=C1OCC(=O)O)F MCULE-5123617200 [1,1,0,0,0,0|0,0,0]=2 419 B14R1.1865 COC1=C(C=C(C=C1)Cl)OCC(=O)O MCULE-8903147489 [1,1,0,0,0,0|2,0,0]=4 420 B14R1.2172 CC1=C(C(=CC=C1)C=O)OCC(=O)O MCULE-7693650907 [1,1,0,0,0,0|0,0,0]=2 421 B14R1.2172 COC1=C(C(=CC=C1)Br)OCC(=O)O MCULE-1333781603 [1,1,0,0,0,0|2,0,0]=4 422 B14R1.2172 O=CC1=C(C(=CC=C1)Cl)OCC(=O)O MCULE-4132554385 [1,1,0,0,0,0|0,0,0]=2 423 B14R1.2172 O=CC1=C(C(=CC=C1)F)OCC(=O)O MCULE-4852095011 [1,1,0,0,0,0|0,0,0]=2 424 B14R1.3135 CC(OC1=C(C=CC=C1)C#N)C(=O)O MCULE-9541119270 [1,1,0,0,0,0|0,0,2]=4 425 B14R1.3135 CC(OC1=CC=CC=C1C=O)C(=O)O MCULE-4864228807 [1,1,0,0,0,0|0,0,0]=2 426 B14R1.3135 CCC1=CC=CC=C1OC(C)C(=O)O MCULE-5673161153 [1,1,0,0,0,0|1,0,1]=4 427 B14R1.3135 COC1=C(C=CC=C1)OC(C)C(=O)O MCULE-8955707762 [1,1,0,0,0,0|2,0,0]=4 428 B14R1.3135 NCC1=C(C=CC=C1)CC(N)C(=O)O MCULE-9769901317 [1,1,0,0,0,0|1,0,1]=4 429 B14R1.3135 NCC1=CC=CC=C1C[C@@H](N)C(=O)O MCULE-5332717125 [1,1,0,0,0,0|1,0,1]=4 430 B14R1.3135 NCC1=CC=CC=C1C[C@@H](N)C(=O)O MCULE-6442189351 [1,1,0,0,0,0|1,0,1]=4 431 B14R1.3135 NCC1=CC=CC=C1C[C@H](N)C(=O)O MCULE-5929986297 [1,1,0,0,0,0|1,0,1]=4 432 B14R1.67 C=CCOC1=C(C=C(C=C1)Br)C(=O)C MCULE-6396438729 [1,1,0,0,0,0|2,0,0]=4 433 B14R1.67 C=CCOC1=C(C=C(C=C1)C)C(=O)O MCULE-7088150302 [1,1,0,0,0,0|2,0,0]=4 434 B14R1.67 C=CCOC1=C(C=C(C=C1)Cl)C(=O)O MCULE-2313578723 [1,1,0,0,0,0|2,0,0]=4 435 B14R1.67 CC(=O)C1=C(C=CC(=C1)Br)OCCO MCULE-2912133847 [1,1,0,0,0,0|1,0,1]=4 436 B14R1.67 CCCOC1=CC=C(C=C1C(=O)N)Br MCULE-8045960882 [1,1,0,0,0,0|1,0,1]=4 437 B14R1.67 CCCOC1=CC=C(C=C1C(=O)N)Cl MCULE-9858776604 [1,1,0,0,0,0|1,0,1]=4 438 B14R1.67 NCCOC1=CC=C(C=C1C(=O)N)F MCULE-5841191238 [1,1,0,0,0,0|1,0,1]=4 439 B14R1.67 NCCOC1=CC=C(C=C1C(=O)N)F MCULE-7126223556 [1,1,0,0,0,0|1,0,1]=4 440 B14R1.760 C=CCOC1=C(C=CC(=C1)Br)C(=O)C MCULE-5452503993 [1,1,0,0,0,0|2,0,0]=4 441 B14R1.760 C=CCOC1=CC(=CC=C1C(=O)O)I MCULE-6262255264 [1,1,0,0,0,0|2,0,0]=4 442 B14R1.760 CCCOC1=CC(=CC=C1C(=O)N)Br MCULE-2865204442 [1,1,0,0,0,0|1,0,1]=4 443 B14R1.789 C=CCOC1=CC=CC=C1C(=O)NN MCULE-5990135358 [1,1,0,0,0,0|1,0,0]=3 444 B14R1.789 CCCOC1=C(C=CC=C1)C(=O)CN MCULE-1340893566 [1,1,0,0,0,0|1,0,1]=4 445 B14R1.789 CCCOC1=C(C=CC=C1)C(=O)CN MCULE-8722450330 [1,1,0,0,0,0|1,0,1]=4 446 B14R1.789 CCCOC1=C(C=CC=C1)C(=O)NN MCULE-6324481251 [1,1,0,0,0,0|1,0,1]=4 447 B14R1.789 COC(=O)C1=C(C=CC=C1)OCCO MCULE-3258485949 [1,1,0,0,0,0|1,0,1]=4 448 B14R1.903 C=CCCOC1=CC=CC=C1C(=O)N MCULE-5771080177 [1,1,0,0,0,0|1,0,0]=3 449 B14R1.903 CC=CCOC1=CC=CC=C1C(=O)N MCULE-2390373145 [1,1,0,0,0,0|1,0,0]=3 450 B14R1.903 COCCOC1=C(C=CC=C1)C(=O)O MCULE-3683927750 [1,1,0,0,0,0|1,0,1]=4 451 B14R1.903 NCCCOC1=CC=CC=C1C(=O)N MCULE-7651389921 [1,1,0,0,0,0|1,0,1]=4 452 B14R1.4432 C=CCOC1=C(C(=CC=C1)F)C(=O)O MCULE-3578050130 [1,1,0,0,0,0|2,0,0]=4 453 B14R1.4432 C=CCOC1=C(C(=CC=C1)O)C(=O)C MCULE-9678347108 [1,1,0,0,0,0|2,0,0]=4 454 B14R1.7480 C=CCOC1=C(C=CC=C1C(=O)O)C MCULE-4915285706 [1,1,0,0,0,0|2,0,0]=4 455 B14R1.7480 CCCOC1=C(C=CC=C1C(=O)N)N MCULE-6152849684 [1,1,0,0,0,0|1,0,1]=4 456 B14R1.164 CC(=O)NC1=C(C=CC(=C1)F)C(=O)N MCULE-9157213107 [0,1,0,0,1,0|2,0,0]=4 457 B14R1.164 CC(=O)NC1=CC(=CC=C1C(=O)N)Br MCULE-2541166999 [0,1,0,0,1,0|2,0,0]=4 458 B14R1.164 CC(=O)OC1=C(C=CC(=C1)C)C(=O)O MCULE-5405998716 [0,1,0,0,1,0|2,0,0]=4 459 B14R1.164 CC(=O)OC1=CC(=CC=C1C(=O)O)Br MCULE-3667364091 [0,1,0,0,1,0|2,0,0]=4 460 B14R1.164 CC(=O)OC1=CC(=CC=C1C(=O)O)O MCULE-3035314482 [0,1,0,0,1,0|2,0,0]=4 461 B14R1.164 CC1=CC=C(C(=C1)CC(=O)O)N(=O)=O MCULE-6276927587 [0,1,0,0,1,0|2,0,0]=4 462 B14R1.164 O=C(O)CC1=C(C=CC(=C1)F)N(=O)=O MCULE-3363151616 [0,1,0,0,1,0|2,0,0]=4 463 B14R1.164 O=C(O)CC1=CC(=CC=C1C(=O)O)Br MCULE-7217904832 [0,1,0,0,1,0|1,0,0]=3 464 B14R1.164 O=C(O)CC1=CC(=CC=C1C(=O)O)Cl MCULE-3311524524 [0,1,0,0,1,0|1,0,0]=3 465 B14R1.164 O=C(O)CC1=CC(=CC=C1C(=O)O)F MCULE-6609053292 [0,1,0,0,1,0|1,0,0]=3 466 B14R1.164 O=C(O)CC1=CC(=CC=C1N(=O)=O)Br MCULE-2582011805 [0,1,0,0,1,0|2,0,0]=4 467 B14R1.164 O=C(O)CC1=CC(=CC=C1N(=O)=O)Cl MCULE-5199787051 [0,1,0,0,1,0|2,0,0]=4 468 B14R1.164 O=C(O)CC1=CC(=CC=C1N(=O)=O)I MCULE-6046310465 [0,1,0,0,1,0|2,0,0]=4 469 B14R1.429 CC(=O)C1=C(C=CC=C1)[C@@H](O)C(=O)O MCULE-3781863945 [0,1,0,0,1,0|1,0,0]=3 470 B14R1.429 CC(=O)C1=CC=CC=C1C(O)C(=O)O MCULE-8902421170 [0,1,0,0,1,0|1,0,0]=3 471 B14R1.429 CC(=O)C1=CC=CC=C1[C@@H](O)C(=O)Cl MCULE-6812541497 [0,1,0,0,1,0|2,0,0]=4 472 B14R1.429 CC(=O)C1=CC=CC=C1[C@@H](O)C(=O)O MCULE-5154994448 [0,1,0,0,1,0|1,0,0]=3 473 B14R1.429 CC(=O)C1=CC=CC=C1[C@H](O)C(=O)O MCULE-5555802966 [0,1,0,0,1,0|1,0,0]=3 474 B14R1.429 CC(C(=O)O)C1=C(C=CC=C1)C(=O)O MCULE-4321520344 [0,1,0,0,1,0|1,0,0]=3 475 B14R1.429 CC(C(=O)O)C1=CC=CC=C1N(=O)=O MCULE-3516126786 [0,1,0,0,1,0|2,0,0]=4 476 B14R1.429 NC(C(=O)O)C1=C(C=CC=C1)N(=O)=O MCULE-5702153595 [0,1,0,0,1,0|2,0,0]=4 477 B14R1.429 NC(C(=O)O)C1=C(C=CC=C1)N(=O)=O MCULE-6423174754 [0,1,0,0,1,0|2,0,0]=4 478 B14R1.429 O=C(O)C(=O)C1=CC=CC=C1C(=O)O MCULE-9220630853 [0,1,0,0,1,0|1,0,1]=4 479 B14R1.744 CC(=O)NC1=CC=CC=C1C(=O)NN MCULE-6937796309 [0,1,0,0,1,0|2,0,0]=4 480 B14R1.744 CCC(=O)C1=CC=CC=C1OC(=O)C MCULE-6432512214 [0,1,0,0,1,0|2,0,0]=4 481 B14R1.744 CNC(=O)C1=C(C=CC=C1)OC(=O)C MCULE-7780055788 [0,1,0,0,1,0|1,0,0]=3 482 B14R1.744 COC(=O)C1=C(C=CC=C1)CC(=O)O MCULE-1517713452 [0,1,0,0,1,0|1,0,0]=3 483 B14R1.744 COC(=O)C1=C(C=CC=C1)OC(=O)C MCULE-6223557049 [0,1,0,0,1,0|2,0,0]=4 484 B14R1.815 CS(=O)(=O)C1=CC=CC=C1CC(=O)O MCULE-1103832396 [0,1,0,0,1,0|2,0,0]=4 485 B14R1.815 O=C(O)CC1=CC=CC=C1S(=O)(=O)O MCULE-3967037310 [0,1,0,0,1,0|2,0,0]=4 486 B14R1.4894 CC(=O)OC1=C(C=CC=C1C(=O)O)C MCULE-6533937024 [0,1,0,0,1,0|2,0,0]=4 487 B14R1.4894 CC1=C(C(=CC=C1)C(=O)O)CC(=O)O MCULE-2737686503 [0,1,0,0,1,0|1,0,0]=3 488 B14R1.4894 CC1=CC=CC(=C1CC(=O)O)N(=O)=O MCULE-1002444344 [0,1,0,0,1,0|2,0,0]=4 489 B14R1.4894 O=C(O)CC1=C(C=CC=C1Br)N(=O)=O MCULE-9187669069 [0,1,0,0,1,0|2,0,0]=4 490 B14R1.4894 O=C(O)CC1=C(C=CC=C1C(=O)O)Br MCULE-7151539028 [0,1,0,0,1,0|1,0,0]=3 491 B14R1.4894 O=C(O)CC1=C(C=CC=C1C(=O)O)Cl MCULE-1910607878 [0,1,0,0,1,0|1,0,0]=3 492 B14R1.4894 O=C(O)CC1=C(C=CC=C1C(=O)O)F MCULE-9485941922 [0,1,0,0,1,0|1,0,0]=3 493 B14R1.4894 O=C(O)CC1=C(C=CC=C1F)N(=O)=O MCULE-7628487967 [0,1,0,0,1,0|2,0,0]=4 494 B14R1.4894 O=C(O)CC1=C(C=CC=C1I)N(=O)=O MCULE-7954862021 [0,1,0,0,1,0|2,0,0]=4 495 B14R1.4894 O=C(O)CC1=C(C=CC=C1N(=O)=O)Cl MCULE-9684778298 [0,1,0,0,1,0|2,0,0]=4 496 B14R1.4926 CC(=O)OC1=C(C(=CC=C1)C)C(=O)O MCULE-6695004571 [0,1,0,0,1,0|2,0,0]=4 497 B14R1.4926 CC1=CC=CC(=C1N(=O)=O)CC(=O)O MCULE-6355438418 [0,1,0,0,1,0|2,0,0]=4 498 B14R1.4926 O=C(O)CC1=C(C(=CC=C1)Br)N(=O)=O MCULE-9806006376 [0,1,0,0,1,0|2,0,0]=4 499 B14R1.4926 O=C(O)CC1=C(C(=CC=C1)O)C(=O)O MCULE-8445047699 [0,1,0,0,1,0|1,0,0]=3 500 B14R1.4926 O=C(O)CC1=CC=CC(=C1C(=O)O)F MCULE-2546967096 [0,1,0,0,1,0|1,0,0]=3 501 B14R1.4926 O=C(O)CC1=CC=CC(=C1N(=O)=O)Cl MCULE-9273964205 [0,1,0,0,1,0|2,0,0]=4 502 B14R1.4926 O=C(O)CC1=CC=CC(=C1N(=O)=O)F MCULE-1404539229 [0,1,0,0,1,0|2,0,0]=4 503 B14R1.6074 CC(=O)OC1=C(C=C(C=C1)Br)C(=O)O MCULE-4103590957 [0,1,0,0,1,0|2,0,0]=4 504 B14R1.6074 CC(=O)OC1=CC=C(C=C1C(=O)O)Cl MCULE-5240299802 [0,1,0,0,1,0|2,0,0]=4 505 B14R1.6074 CC(=O)OC1=CC=C(C=C1C(=O)O)O MCULE-4585002140 [0,1,0,0,1,0|2,0,0]=4 506 B14R1.6074 CC1=CC=C(C(=C1)C(=O)O)CC(=O)O MCULE-7627589049 [0,1,0,0,1,0|1,0,0]=3 507 B14R1.6074 CC1=CC=C(C(=C1)N(=O)=O)CC(=O)O MCULE-9434570202 [0,1,0,0,1,0|2,0,0]=4 508 B14R1.6074 NC1=CC=C(C(=C1)C(=O)O)CC(=O)O MCULE-8784666821 [0,1,0,0,1,0|1,0,0]=3 509 B14R1.6074 NC1=CC=C(C(=C1)N(=O)=O)CC(=O)O MCULE-5779606777 [0,1,0,0,1,0|2,0,0]=4 510 B14R1.6074 O=C(O)CC1=C(C=C(C=C1)Br)C(=O)O MCULE-4986008206 [0,1,0,0,1,0|1,0,0]=3 511 B14R1.6074 O=C(O)CC1=C(C=C(C=C1)Cl)N(=O)=O MCULE-5415473943 [0,1,0,0,1,0|2,0,0]=4 512 B14R1.6074 O=C(O)CC1=CC=C(C=C1C(=O)O)F MCULE-2248916450 [0,1,0,0,1,0|1,0,0]=3 513 B14R1.6074 O=C(O)CC1=CC=C(C=C1N(=O)=O)Br MCULE-3576743716 [0,1,0,0,1,0|2,0,0]=4 514 B14R1.6074 O=C(O)CC1=CC=C(C=C1N(=O)=O)F MCULE-3335874217 [0,1,0,0,1,0|2,0,0]=4 515 B14R1.6074 O=C(O)CC1=CC=C(C=C1N(=O)=O)I MCULE-4139188015 [0,1,0,0,1,0|2,0,0]=4 516 B14R1.6312 O=C(O)C1=C(C=CC=C1)OP(=O)(O)O MCULE-1086101121 [0,1,0,0,1,0|2,0,0]=4 517 B14R1.6312 O=C(O)C1=CC=CC=C1OS(=O)(=O)O MCULE-3023695647 [0,1,0,0,1,0|2,0,0]=4 518 B14R1.6312 O=C([O-])C1=CC=CC=C1OS(=O)(=O)O MCULE-2194014763 [0,1,0,0,1,0|2,0,0]=4 519 B16R1.1330 COC(=O)CCC1=C(C=CC=C1)OC(=O)C MCULE-5749736438 [0,1,0,0,0,1|2,0,0]=4 520 B16R1.1330 COC(=O)COC1=C(C=CC=C1)NC(=O)C MCULE-7735992814 [0,1,0,0,0,1|1,0,0]=3 521 B16R1.1178 CNC(=O)C1=C(C=CC=C1)SCCC(=O)O MCULE-4313330284 [0,1,0,0,0,1|0,1,0]=3 522 B16R1.4547 O=C(O)CCS(=O)C1=CC=CC=C1C(=O)O MCULE-2629347111 [0,1,0,0,0,1|1,1,0]=4 523 B16R1.4547 O=C(O)CNC(=O)C1=C(C=CC=C1)C(=O)O MCULE-1057926292 [0,1,0,0,0,1|2,0,0]=4 524 B16R1.11451 CC1=CC(=C(C=C1)N(=O)=O)OCCC(=O)O MCULE-8670905063 [0,1,0,0,0,1|2,0,0]=4 525 B16R1.11454 O=C(O)CCNC1=C(C=C(C=C1)Br)C(=O)O MCULE-2765052568 [0,1,0,0,0,1|2,0,0]=4 526 B16R1.11454 O=C(O)CCOC1=C(C=C(C=C1)Cl)N(=O)=O MCULE-1373493779 [0,1,0,0,0,1|2,0,0]=4 527 B16R1.12463 CC(=O)CC(=O)NC1=C(C=CC=C1)C(=O)N MCULE-6449441971 [0,1,0,0,0,1|2,0,0]=4 528 B16R1.12463 CC(CC(=O)O)OC1=CC=CC=C1N(=O)=O MCULE-4119635793 [0,1,0,0,0,1|2,0,0]=4 529 B16R1.12463 O=C(O)CC(=O)NC1=C(C=CC=C1)C(=O)O MCULE-9457944975 [0,1,0,0,0,1|2,0,0]=4 530 B16R1.1332 CNC(=O)CNC1=C(C=CC=C1)C(=O)NC MCULE-2862506276 [0,2,0,0,0,0|2,0,0]=4 531 B16R1.1332 COC(=O)CNC1=C(C=CC=C1)C(=O)OC MCULE-1925261363 [0,2,0,0,0,0|2,0,0]=4 532 B16R1.1332 COC(=O)COC1=CC=CC=C1C(=O)OC MCULE-2702656071 [0,2,0,0,0,0|1,0,0]=3 533 B16R1.1332 COC(=O)CSC1=C(C=CC=C1)C(=O)OC MCULE-4080225450 [0,2,0,0,0,0|1,1,0]=4 534 B16R1.16763 COC(=O)C1=C(C=CC(=C1)Cl)OCC(=O)O MCULE-8685929158 [0,2,0,0,0,0|1,0,0]=3 535 B16R1.16763 COC(=O)C1=CC(=CC=C1OCC(=O)N)N MCULE-4676129213 [0,2,0,0,0,0|2,0,0]=4 536 B16R1.75817 COC(=O)C1=CC=C(C=C1OCC(=O)O)F MCULE-8170692068 [0,2,0,0,0,0|1,0,0]=3 537 B16R1.874 COC(=O)C[C@@H](N)C1=CC=CC=C1C(=O)O MCULE-2226289919 [0,2,0,0,0,0|2,0,0]=4 538 B16R1.874 COC(=O)C[C@@H](N)C1=CC=CC=C1C(=O)O MCULE-8066436720 [0,2,0,0,0,0|2,0,0]=4 539 B16R1.874 COC(=O)C[C@H](N)C1=CC=CC=C1C(=O)O MCULE-4938627254 [0,2,0,0,0,0|2,0,0]=4 540 B16R1.874 COC(=O)C[C@H](N)C1=CC=CC=C1C(=O)O MCULE-6970214246 [0,2,0,0,0,0|2,0,0]=4 541 B16R1.1138 COC(=O)COC1=C(C=C(C=C1)Br)C(=O)C MCULE-9412817899 [0,2,0,0,0,0|1,0,0]=3 542 B16R1.1138 COC(=O)COC1=C(C=C(C=C1)Cl)N(=O)=O MCULE-6441387710 [0,2,0,0,0,0|2,0,0]=4 543 B16R1.1138 COC(=O)COC1=CC=C(C=C1C(=O)C)C MCULE-1302978516 [0,2,0,0,0,0|1,0,0]=3 544 B16R1.1138 COC(=O)COC1=CC=C(C=C1C(=O)N)Br MCULE-7451463656 [0,2,0,0,0,0|0,0,0]=2 545 B16R1.1302 COC(=O)COC1=C(C=CC(=C1)C)C(=O)C MCULE-9077479654 [0,2,0,0,0,0|1,0,0]=3 546 B16R1.1302 COC(=O)COC1=C(C=CC(=C1)C)N(=O)=O MCULE-7522654923 [0,2,0,0,0,0|2,0,0]=4 547 B16R1.1302 COC(=O)COC1=C(C=CC(=C1)Cl)C(=O)C MCULE-8485235985 [0,2,0,0,0,0|1,0,0]=3 548 B16R1.1302 COC(=O)COC1=C(C=CC(=C1)F)N(=O)=O MCULE-4597928467 [0,2,0,0,0,0|2,0,0]=4 549 B16R1.4440 CCOC(=O)CNC1=C(C=CC=C1)C(=O)O MCULE-6866625749 [0,2,0,0,0,0|2,0,0]=4 550 B16R1.4440 CCOC(=O)COC1=C(C=CC=C1)C(=O)N MCULE-4474612353 [0,2,0,0,0,0|0,0,0]=2 551 B16R1.4440 CCOC(=O)COC1=C(C=CC=C1)C(=O)O MCULE-8908033178 [0,2,0,0,0,0|1,0,0]=3 552 B16R1.4440 CCOC(=O)COC1=CC=CC=C1C(=O)C MCULE-4204327935 [0,2,0,0,0,0|1,0,0]=3 553 B16R1.4440 CCOC(=O)COC1=CC=CC=C1N(=O)=O MCULE-6237152133 [0,2,0,0,0,0|2,0,0]=4 554 B16R1.4440 CCOC(=O)CSC1=CC=CC=C1C(=O)O MCULE-4679395079 [0,2,0,0,0,0|1,1,0]=4 555 B16R1.6958 COC(=O)C(Br)CC1=C(C=CC=C1)C(=O)O MCULE-5574194309 [0,2,0,0,0,0|2,0,0]=4 556 B16R1.6958 COC(=O)C(C)OC1=C(C=CC=C1)N(=O)=O MCULE-4891031592 [0,2,0,0,0,0|2,0,0]=4 557 B16R1.6958 COC(=O)C(C)SC1=C(C=CC=C1)C(=O)O MCULE-9408766186 [0,2,0,0,0,0|1,1,0]=4 558 B16R1.6958 COC(=O)[C@@H](N)CC1=C(C=CC=C1)C(=O)O MCULE-4895842605 [0,2,0,0,0,0|2,0,0]=4 559 B16R1.6958 COC(=O)[C@H](N)CC1=C(C=CC=C1)C(=O)O MCULE-2384604115 [0,2,0,0,0,0|2,0,0]=4 560 B16R1.18406 COC(=O)COC1=C(C=CC=C1N(=O)=O)Cl MCULE-1255390818 [0,2,0,0,0,0|2,0,0]=4 561 B16R1.12449 O=C(O)CS(=O)(=O)C1=C(C=CC=C1)C(=O)O MCULE-4746968213 [0,2,0,0,0,0|1,1,0]=4 562 B16R1.11414 O=C(O)COC1=CC=C(C=C1S(=O)(=O)O)Cl MCULE-4555057410 [0,2,0,0,0,0|2,0,0]=4 563 B16R1.19710 COC1=CC=CC(=C1OCC(=O)O)C(=O)O MCULE-4193234539 [0,2,0,0,0,0|1,0,0]=3 564 B16R1.23825 CC1=C(C(=CC(=C1)Cl)N(=O)=O)OCC(=O)O MCULE-3727054357 [0,2,0,0,0,0|2,0,0]=4 565 B16R1.23825 CC1=CC(=C(C(=C1)C)OCC(=O)O)N(=O)=O MCULE-6442932476 [0,2,0,0,0,0|2,0,0]=4 566 B16R1.23825 O=C(O)COC1=C(C=C(C=C1C(=O)O)F)F MCULE-2962889491 [0,2,0,0,0,0|1,0,0]=3 567 B16R1.11456 O=C(O)CNC1=C(C(=C(C=C1)Br)Cl)C(=O)O MCULE-7484313464 [0,2,0,0,0,0|2,0,0]=4 568 B16R1.11456 O=C(O)COC1=CC=C(C(=C1N(=O)=O)O)Br MCULE-2112218858 [0,2,0,0,0,0|2,0,0]=4 569 B16R1.11342 CC1=C(C=C(C(=C1)OCC(=O)O)N(=O)=O)Cl MCULE-2248081290 [0,2,0,0,0,0|2,0,0]=4 570 B16R1.11453 CC(=O)C1=C(C=CC(=C1)Cl)OC(C)C(=O)O MCULE-1622310261 [0,2,0,0,0,0|1,0,0]=3 571 B16R1.11453 CC(OC1=C(C=C(C=C1)Cl)N(=O)=O)C(=O)O MCULE-4642248594 [0,2,0,0,0,0|2,0,0]=4 572 B16R1.11453 CC1=CC(=C(C=C1)OC(C)C(=O)O)N(=O)=O MCULE-8924503004 [0,2,0,0,0,0|2,0,0]=4 573 B16R1.20139 O=CC1=CC(=C(C=C1)OCC(=O)O)N(=O)=O MCULE-5644539302 [0,2,0,0,0,0|2,0,0]=4 574 B16R1.20203 COC1=CC(=C(C=C1)C(=O)C)OCC(=O)O MCULE-1127619913 [0,2,0,0,0,0|1,0,0]=3 575 B16R1.20203 COC1=CC(=C(C=C1)C(=O)O)OCC(=O)O MCULE-6633463450 [0,2,0,0,0,0|1,0,0]=3 576 B16R1.20203 O=C(O)COC1=C(C=CC(=C1)CO)N(=O)=O MCULE-2076175901 [0,2,0,0,0,0|2,0,0]=4 577 B16R1.773 CCC(OC1=CC=CC=C1C(=O)N)C(=O)O MCULE-7272814644 [0,2,0,0,0,0|0,0,0]=2 578 B16R1.773 CCC(OC1=CC=CC=C1N(=O)=O)C(=O)O MCULE-6911114385 [0,2,0,0,0,0|2,0,0]=4 579 B16R1.773 CCC(SC1=CC=CC=C1C(=O)O)C(=O)O MCULE-2344906046 [0,2,0,0,0,0|1,1,0]=4 580 B16R1.58506 CC(C)(OC1=C(C=CC=C1)N(=O)=O)C(=O)O MCULE-8881395933 [0,2,0,0,0,0|2,0,0]=4 581 B14R2.2 O=C(O)CC1=C2C=CC=CC2=CO1 MCULE-4741629356 [1,0,0,1,0,0|1,0,1]=4 582 B14R2.2 O=C(O)CN1C=CC2=CC=CC=C12 MCULE-3243128001 [1,0,0,1,0,0|2,0,0]=4 583 B14R2.2 O=C(O)CN1N=CC2=CC=CC=C12 MCULE-7817622881 [1,0,0,1,0,0|1,0,1]=4 584 B14R2.52 N=C1CNC2=CC=CC=C2C(=O)O1 MCULE-4045095687 [1,0,0,1,0,0|2,0,0]=4 585 B14R2.52 O=C1CNC2=C(C=CC=C2)C(=O)N1 MCULE-2811393673 [1,0,0,1,0,0|2,0,0]=4 586 B14R2.52 O=C1COC2=C(C=CC=C2)C(=O)C1 MCULE-1617210134 [1,0,0,1,0,0|1,0,0]=3 587 B14R2.52 O=C1COC2=CC=CC=C2C(=O)N1 MCULE-6841577247 [1,0,0,1,0,0|1,0,0]=3 588 B14R2.450 CC(=O)C1=C(C2=C(O1)C=CC=C2)N MCULE-2287238690 [1,0,0,1,0,0|1,0,1]=4 589 B14R2.450 CC1=C(OC2=C1C=CC=C2)C(=O)O MCULE-5635567155 [1,0,0,1,0,0|1,0,1]=4 590 B14R2.450 NC(=O)C1=C(C2=C(O1)C=CC=C2)N MCULE-8325698534 [1,0,0,1,0,0|1,0,1]=4 591 B14R2.450 NC1=C(SC2=C1C=CC=C2)C(=O)O MCULE-8177351868 [1,0,0,1,0,0|0,1,1]=4 592 B14R2.450 NC1C2=C(C=CC=C2)CC1C(=O)O MCULE-4375480298 [1,0,0,1,0,0|1,0,1]=4 593 B14R2.450 NC1C2=C(C=CC=C2)CC1C(=O)O MCULE-7128128542 [1,0,0,1,0,0|1,0,1]=4 594 B14R2.450 N[C@H]1C2=C(C=CC=C2)C[C@H]1C(=O)O MCULE-1700936032 [1,0,0,1,0,0|1,0,1]=4 595 B14R2.450 N[C@H]1C2=C(C=CC=C2)C[C@H]1C(=O)O MCULE-2006803563 [1,0,0,1,0,0|1,0,1]=4 596 B14R2.450 O=C(O)C1=C(C2=C(O1)C=CC=C2)Br MCULE-5935270406 [1,0,0,1,0,0|1,0,1]=4 597 B14R2.450 O=C(O)C1=C(C2=C(O1)C=CC=C2)Cl MCULE-8117415241 [1,0,0,1,0,0|1,0,1]=4 598 B14R2.450 O=C(O)C1CC2=CC=CC=C2S1=O MCULE-6449227918 [1,0,0,1,0,0|2,0,0]=4 599 B14R2.781 O=C(O)C1C=CC2=CC=CC=C2C1 MCULE-7232750004 [1,0,0,1,0,0|2,0,0]=4 600 B14R2.781 O=C(O)C1CC2=C(C=CC=C2)CN1 MCULE-5516588414 [1,0,0,1,0,0|1,0,1]=4 601 B14R2.781 O=C(O)C1CC2=C(C=CC=C2)CN1 MCULE-7618614062 [1,0,0,1,0,0|1,0,1]=4 602 B14R2.781 O=C(O)C1CCC2=CC=CC=C2O1 MCULE-5579568884 [1,0,0,1,0,0|1,0,1]=4 603 B14R2.781 O=C(O)C1CNC2=C(O1)C=CC=C2 MCULE-4163691176 [1,0,0,1,0,0|2,0,0]=4 604 B14R2.781 O=C(O)C1CNC2=C(O1)C=CC=C2 MCULE-8034888930 [1,0,0,1,0,0|2,0,0]=4 605 B14R2.781 O=C(O)C1COC2=CC=CC=C2O1 MCULE-7160477164 [1,0,0,1,0,0|2,0,0]=4 606 B14R2.781 O=C(O)C1CSC2=C(O1)C=CC=C2 MCULE-3259426758 [1,0,0,1,0,0|2,0,0]=4 607 B14R2.781 O=C(O)[C@@H]1CC2=C(C=CC=C2)CN1 MCULE-1751200918 [1,0,0,1,0,0|1,0,1]=4 608 B14R2.781 O=C(O)[C@@H]1CC2=C(C=CC=C2)CN1 MCULE-3630654232 [1,0,0,1,0,0|1,0,1]=4 609 B14R2.781 O=C(O)[C@@H]1CC2=C(C=CC=C2)CN1 MCULE-3979537263 [1,0,0,1,0,0|1,0,1]=4 610 B14R2.781 O=C(O)[C@@H]1CC2=C(C=CC=C2)CN1 MCULE-7210425562 [1,0,0,1,0,0|1,0,1]=4 611 B14R2.781 O=C(O)[C@@H]1CC2=C(C=CC=C2)CN1 MCULE-8974920280 [1,0,0,1,0,0|1,0,1]=4 612 B14R2.781 O=C(O)[C@@H]1CC2=CC=CC=C2CN1 MCULE-9244246003 [1,0,0,1,0,0|1,0,1]=4 613 B14R2.781 O=C(O)[C@@H]1COC2=CC=CC=C2O1 MCULE-1143196956 [1,0,0,1,0,0|2,0,0]=4 614 B14R2.781 O=C(O)[C@@H]1COC2=CC=CC=C2O1 MCULE-5706531171 [1,0,0,1,0,0|2,0,0]=4 615 B14R2.781 O=C(O)[C@H]1CC2=C(C=CC=C2)CN1 MCULE-2376955703 [1,0,0,1,0,0|1,0,1]=4 616 B14R2.781 O=C(O)[C@H]1CC2=C(C=CC=C2)CN1 MCULE-7960518214 [1,0,0,1,0,0|1,0,1]=4 617 B14R2.781 O=C(O)[C@H]1CC2=CC=CC=C2CN1 MCULE-6544852468 [1,0,0,1,0,0|1,0,1]=4 618 B14R2.781 O=C(O)[C@H]1CCC2=C(O1)C=CC=C2 MCULE-1951849524 [1,0,0,1,0,0|1,0,1]=4 619 B14R2.781 O=C(O)[C@H]1COC2=CC=CC=C2O1 MCULE-7464025157 [1,0,0,1,0,0|2,0,0]=4 620 B14R2.781 [C@@H]1(COC2=CC=CC=C2O1)C(=O)O MCULE-3941635714 [1,0,0,1,0,0|2,0,0]=4 621 B14R2.1073 O=CC1=C2OCC(=O)NC2=CC=C1 MCULE-5908745107 [1,0,0,1,0,0|1,0,0]=3 622 B14R2.4 N=C(N)C1=CC=CC2=C1CCC2=O MCULE-4064913104 [1,0,0,1,0,0|2,0,0]=4 623 B14R2.4 N=C(N)C1=CC=CC2=C1CCC2=O MCULE-7285676961 [1,0,0,1,0,0|2,0,0]=4 624 B14R2.4 NC(=O)C1=C2OCC(=O)C2=CC=C1 MCULE-6716931927 [1,0,0,1,0,0|0,0,0]=2 625 B14R2.4 NC(=O)C1=CC=CC2=C1CCC2=O MCULE-2295616951 [1,0,0,1,0,0|1,0,0]=3 626 B14R2.4 O=C(O)C1=C2OCC(=O)C2=CC=C1 MCULE-3976215386 [1,0,0,1,0,0|1,0,0]=3 627 B14R2.4 O=C(O)C1=CC=CC2=C1CCC2=O MCULE-8286123171 [1,0,0,1,0,0|2,0,0]=4 628 B14R2.4 O=C1COC2=C(C=CC=C12)N(=O)=O MCULE-5711815346 [1,0,0,1,0,0|2,0,0]=4 629 B14R2.1019 O=CC1=CC(=O)C2=C(O1)C=CC=C2 MCULE-6216688831 [1,0,0,1,0,0|1,0,1]=4 630 B14R2.1019 O=CC1=NC2=C(C=CC=C2)C(=O)N1 MCULE-8030919118 [1,0,0,1,0,0|1,0,1]=4 631 B14R2.31359 CC(=O)C1=CC=CC2=C1OCCO2 MCULE-8800235154 [1,0,0,1,0,0|1,0,1]=4 632 B14R2.31359 NC(=O)C1=C2OCCOC2=CC=C1 MCULE-4940671970 [1,0,0,1,0,0|0,0,1]=3 633 B14R2.31359 NC(=O)C1=CC=CC2=C1OCCC2 MCULE-3286540297 [1,0,0,1,0,0|1,0,1]=4 634 B14R2.31359 NC(=S)C1=C2OCCOC2=CC=C1 MCULE-9913002501 [1,0,0,1,0,0|0,1,1]=4 635 B14R2.31359 O=C(Cl)C1=C2OCCOC2=CC=C1 MCULE-4484338382 [1,0,0,1,0,0|1,0,1]=4 636 B14R2.31359 O=C(O)C1=CC=CC2=C1OCCO2 MCULE-2003895122 [1,0,0,1,0,0|1,0,1]=4 637 B14R2.287 O=C1CNC(=O)C2=C(N1)C=CC=C2 MCULE-1893626067 [0,0,0,1,1,0|2,0,0]=4 638 B14R2.712 CC(=O)C1=C2NC(=O)OC2=CC=C1 MCULE-5569761263 [0,0,0,1,1,0|2,0,0]=4 639 B14R2.712 O=C1CC2=C(C=CC=C2O1)C(=O)O MCULE-9681418756 [0,0,0,1,1,0|1,0,0]=3 640 B14R2.712 O=C1CC2=C(N1)C=CC=C2C(=O)O MCULE-8443978622 [0,0,0,1,1,0|2,0,0]=4 641 B14R2.712 O=C1NC2=C(C=CC=C2O1)C(=O)O MCULE-7054850283 [0,0,0,1,1,0|2,0,0]=4 642 B14R2.25733 N[C@H]1C[C@H](C2=CC=CC=C12)C(=O)O MCULE-3664589285 [0,0,0,1,1,0|1,0,1]=4 643 B14R2.25733 N[C@H]1C[C@H](C2=CC=CC=C12)C(=O)O MCULE-6064527057 [0,0,0,1,1,0|1,0,1]=4 644 B14R2.25733 O=C1CC(C2=C1C=CC=C2)C(=O)O MCULE-1060322815 [0,0,0,1,1,0|1,0,0]=3 645 B14R2.25733 O=C1NC(C2=CC=CC=C12)C(=O)O MCULE-4829942440 [0,0,0,1,1,0|0,0,0]=2 646 B14R2.25733 O=C1OC(C2=CC=CC=C12)C(=O)O MCULE-1282001061 [0,0,0,1,1,0|1,0,0]=3 647 B14R2.29496 O=C1NS(=O)(=O)CC2=C1C=CC=C2 MCULE-5685729477 [0,0,0,1,1,0|1,0,1]=4 648 B14R2.8824 O=C1NC(CN2C1=CC=C2)C(=O)O MCULE-9822957237 [0,0,0,1,1,0|2,0,0]=4 649 B16R2.3995 O=C(O)CC1=CC(=O)NC2=CC=CC=C12 MCULE-4146125331 [0,0,0,1,0,1|2,0,0]=4 650 B16R2.3995 O=C(O)CC1=CC(=O)OC2=CC=CC=C12 MCULE-4275715076 [0,0,0,1,0,1|2,0,0]=4 651 B16R2.3995 O=C(O)CC1CC(=O)NC2=CC=CC=C12 MCULE-7458524432 [0,0,0,1,0,1|2,0,0]=4 652 B16R2.3995 O=C(O)CC1CC(=O)OC2=CC=CC=C12 MCULE-9750844159 [0,0,0,1,0,1|2,0,0]=4 653 B16R2.3995 O=C(O)CN1CC(=O)NC2=C1C=CC=C2 MCULE-1547277567 [0,0,0,1,0,1|2,0,0]=4 654 B16R2.3995 O=C(O)CN1CC(=O)OC2=C1C=CC=C2 MCULE-1226717505 [0,0,0,1,0,1|2,0,0]=4 655 B16R2.27456 CC(=O)N1C2=C(C=CC=C2)CC1C(=O)O MCULE-2500341213 [0,0,0,1,0,1|2,0,0]=4 656 B16R2.27456 CC(=O)N1C2=C(C=CC=C2)C[C@@H]1C(=O)O MCULE-8117576936 [0,0,0,1,0,1|2,0,0]=4 657 B16R2.27456 CC(=O)N1C2=C(C=CC=C2)C[C@H]1C(=O)O MCULE-7247898090 [0,0,0,1,0,1|2,0,0]=4 658 B16R2.27456 CC(=O)N1C2=C(C=CC=C2)C[C@H]1C(=O)O MCULE-7537804788 [0,0,0,1,0,1|2,0,0]=4 659 B16R2.27456 O=C(O)C1=C(C2=C(O1)C=CC=C2)C(=O)O MCULE-1654974651 [0,0,0,1,0,1|1,0,1]=4 660 B16R2.24933 NC(=O)CC1=NC2=CC=CC=C2C(=O)N1 MCULE-2328453251 [0,0,0,1,0,1|2,0,0]=4 661 B16R2.24933 O=C(O)CC1=CC2=C(C=CC=C2)C(=O)N1 MCULE-1389517041 [0,0,0,1,0,1|1,0,0]=3 662 B16R2.104522 O=C(O)CSC1OC(=O)C2=C1C=CC=C2 MCULE-6266895665 [0,0,0,1,0,1|1,1,0]=4 663 B16R2.24414 O=C(O)/C=C/1\NNC(=O)C2=CC=CC=C12 MCULE-1511683715 [0,1,0,1,0,0|1,0,1]=4 664 B16R2.24414 O=C(O)CC1=NNC(=O)C2=C1C=CC=C2 MCULE-1747279667 [0,1,0,1,0,0|1,0,0]=3 665 B16R2.24414 O=C(O)CN1C=CC(=O)C2=CC=CC=C12 MCULE-4920858317 [0,1,0,1,0,0|2,0,0]=4 666 B16R2.24414 O=C(O)CN1C=NC(=O)C2=C1C=CC=C2 MCULE-2593136580 [0,1,0,1,0,0|1,0,1]=4 667 B16R2.24414 O=C(O)CN1N=CC(=O)C2=C1C=CC=C2 MCULE-4784467977 [0,1,0,1,0,0|1,0,1]=4 668 B16R2.33901 COC(=O)C1=C2OCC(=O)NC2=CC=C1 MCULE-4135344500 [0,1,0,1,0,0|2,0,0]=4 669 B16R2.33901 NNC(=O)C1=CC=CC2=C1OCC(=O)N2 MCULE-9528352352 [0,1,0,1,0,0|1,0,0]=3 670 B16R2.44951 O=C(O)CN1C(=O)C(=O)C2=C1C=CC=C2 MCULE-7578280002 [0,1,0,1,0,0|2,0,0]=4 671 B16R2.75436 O=CC1=CN(C2=C1C=CC=C2)CC(=O)O MCULE-8914866927 [0,1,0,1,0,0|2,0,0]=4 672 B16R2.81677 O=C1CCC(CC2=C1C=CC=C2)C(=O)O MCULE-4402815341 [0,1,0,1,0,0|2,0,0]=4 673 B16R2.83668 CC1=C(OC2=C(C1=O)C=CC=C2)C(=O)O MCULE-9491810710 [0,1,0,1,0,0|1,0,1]=4 674 B16R2.83668 CN1C(=O)C2=CC=CC=C2C=C1C(=O)O MCULE-7268091312 [0,1,0,1,0,0|1,0,1]=4 675 B16R2.33556 COC(=O)CC1NC(=O)C2=C1C=CC=C2 MCULE-6878368400 [0,1,0,1,0,0|1,0,0]=3 676 B16R2.33556 COC(=O)CC1OC(=O)C2=C1C=CC=C2 MCULE-7325584989 [0,1,0,1,0,0|2,0,0]=4 677 B16R2.33887 COC(=O)C1=CC(=O)C2=CC=CC=C2O1 MCULE-3184348447 [0,1,0,1,0,0|1,0,1]=4 678 B16R2.33887 COC(=O)C1=CC2=C(C=CC=C2)C(=O)N1 MCULE-5971318950 [0,1,0,1,0,0|1,0,1]=4 679 B16R2.33887 COC(=O)C1CC2=CC=CC=C2C(=O)O1 MCULE-5086890888 [0,1,0,1,0,0|2,0,0]=4 680 B16R2.98784 CN1C(=O)COC2=C1C=CC=C2C(=O)O MCULE-6803181122 [0,1,0,1,0,0|2,0,0]=4 681 B16R2.23331 CC(=O)C1NC(=O)C2=C(C1=O)C=CC=C2 MCULE-2051058653 [0,1,0,1,0,0|2,0,0]=4 682 B16R2.23331 CC1=C(NC(=O)C2=C1C=CC=C2)C(=O)O MCULE-3441713097 [0,1,0,1,0,0|1,0,1]=4 683 B16R2.23331 O=C1N[C@@H](C(=O)C2=CC=CC=C12)C(=O)Cl MCULE-8160756656 [0,1,0,1,0,0|2,0,0]=4 684 B16R2.145452 O=C(O)C1CS(=O)(=O)C2=C(O1)C=CC=C2 MCULE-3564747074 [0,1,0,1,0,0|2,0,0]=4 685 B16R2.145452 O=C(O)C1NC2=C(C=CC=C2)S(=O)(=O)N1 MCULE-6951084492 [0,1,0,1,0,0|2,0,0]=4 686 B16R2.22890 CC1=CC=CC2=C1OC(=CC2=O)C(=O)O MCULE-5390513299 [0,1,0,1,0,0|1,0,1]=4 687 B16R2.22890 O=C(O)C1=CC(=O)C2=C(O1)C(=CC=C2)Cl MCULE-6729733122 [0,1,0,1,0,0|1,0,1]=4 688 B16R2.126928 O=C(O)C1=CC(=O)C2=C(C=CC=C2O1)O MCULE-1242002150 [0,1,0,1,0,0|1,0,1]=4 689 B16R2.12541 O=C1COC2=C(C=C(C=C2N1)Cl)C(=O)O MCULE-6129614958 [0,1,0,1,0,0|2,0,0]=4 690 B16R2.23501 CC1=CC2=C(C=C1)CC(CC2=O)C(=O)O MCULE-5724018963 [0,1,0,1,0,0|2,0,0]=4 691 B16R2.23501 CC1=CC=C2OC(=CC(=O)C2=C1)C(=O)O MCULE-2338530850 [0,1,0,1,0,0|1,0,1]=4 692 B16R2.23501 NC(=O)C1CC(=O)C2=CC(=CC=C2O1)F MCULE-4577583631 [0,1,0,1,0,0|2,0,0]=4 693 B16R2.23501 NC1=CC=C2OC(=CC(=O)C2=C1)C(=O)O MCULE-3634628265 [0,1,0,1,0,0|1,0,1]=4 694 B16R2.23501 O=C(O)C1=CC(=O)C2=C(O1)C=CC(=C2)Br MCULE-5419313200 [0,1,0,1,0,0|1,0,1]=4 695 B16R2.23501 O=C(O)C1=CC(=O)C2=C(O1)C=CC(=C2)Cl MCULE-2048556667 [0,1,0,1,0,0|1,0,1]=4 696 B16R2.23501 O=C(O)C1=CC(=O)C2=C(O1)C=CC(=C2)F MCULE-3021449061 [0,1,0,1,0,0|1,0,1]=4 697 B16R2.23501 O=C(O)C1=CC(=O)C2=C(O1)C=CC(=C2)I MCULE-4035695181 [0,1,0,1,0,0|1,0,1]=4 698 B16R2.23501 O=C1CC(OC2=C1C=C(C=C2)Cl)C(=O)O MCULE-3898266825 [0,1,0,1,0,0|1,0,0]=3 699 B16R2.23501 O=C1CC(OC2=C1C=C(C=C2)F)C(=O)O MCULE-7046687063 [0,1,0,1,0,0|1,0,0]=3 700 B16R2.23501 O=C1CC(OC2=CC=C(C=C12)Br)C(=O)O MCULE-3995076938 [0,1,0,1,0,0|1,0,0]=3 701 B16R2.23501 O=C1CC(SC2=C1C=C(C=C2)Br)C(=O)O MCULE-1775471735 [0,1,0,1,0,0|1,1,0]=4 702 B16R2.23501 O=C1C[C@H](OC2=C1C=C(C=C2)F)C(=O)O MCULE-3769573807 [0,1,0,1,0,0|1,0,0]=3 703 B16R2.23501 O=C1OC(CC2=C1C=C(C=C2)F)C(=O)O MCULE-7624107849 [0,1,0,1,0,0|2,0,0]=4 704 B16R2.23501 O=C1OC(CC2=CC=C(C=C12)Br)C(=O)O MCULE-4509900946 [0,1,0,1,0,0|2,0,0]=4 705 B16R2.23501 O=C1OC(CC2=CC=C(C=C12)Cl)C(=O)O MCULE-2811278677 [0,1,0,1,0,0|2,0,0]=4 706 B16R2.24600 O=C(O)CC1NC(=O)C2=C1C=CC(=C2)O MCULE-6679921158 [0,1,0,1,0,0|1,0,0]=3 707 B16R2.97889 O=C(O)CC1CC(=O)C2=CC=C(C=C12)Br MCULE-4766245780 [0,1,0,1,0,0|2,0,0]=4 708 B16R2.97889 O=C(O)CC1NC(=O)C2=CC=C(C=C12)Br MCULE-6722738820 [0,1,0,1,0,0|1,0,0]=3 709 B16R2.97889 O=C(O)CC1OC(=O)C2=C1C=C(C=C2)Br MCULE-9423080194 [0,1,0,1,0,0|2,0,0]=4 710 B16R2.133406 CC1=CC=C2C(=O)C=C(OC2=C1)C(=O)O MCULE-2066399971 [0,1,0,1,0,0|1,0,1]=4 711 B16R2.133406 CC1=CC=C2C(=O)CC(CC2=C1)C(=O)O MCULE-7852063384 [0,1,0,1,0,0|2,0,0]=4 712 B16R2.133406 O=C(O)C1=CC(=O)C2=C(O1)C=C(C=C2)Br MCULE-4188956565 [0,1,0,1,0,0|1,0,1]=4 713 B16R2.133406 O=C(O)C1=CC(=O)C2=C(O1)C=C(C=C2)Cl MCULE-1536387568 [0,1,0,1,0,0|1,0,1]=4 714 B16R2.133406 O=C(O)C1=CC(=O)C2=C(O1)C=C(C=C2)F MCULE-5592799706 [0,1,0,1,0,0|1,0,1]=4 715 B16R2.133406 O=C1OC(CC2=C1C=CC(=C2)F)C(=O)O MCULE-2610680948 [0,1,0,1,0,0|2,0,0]=4 716 B16R2.133406 O=C1OC(CC2=CC(=CC=C12)Cl)C(=O)O MCULE-3652461405 [0,1,0,1,0,0|2,0,0]=4 717 B16R2.223 CC1OC2=C(C=CC=C2C(=O)O)NC1=O MCULE-4676515266 [0,1,0,1,0,0|2,0,0]=4 718 B16R2.387812 CC1(CC(=O)C2=CC=CC=C2O1)C(=O)O MCULE-9275834213 [0,1,0,1,0,0|1,0,0]=3 719 B16R2.387812 CC1(CC2=C(C=CC=C2)C(=O)O1)C(=O)O MCULE-1496096081 [0,1,0,1,0,0|2,0,0]=4 720 B12R1.75 C#CC1=C(C=CC=C1)CC(=O)O MCULE-8491278134 [1,0,0,0,1,0|1,0,1]=4 721 B12R1.75 C=CC1=C(C=CC=C1)OC(=O)C MCULE-2315461667 [1,0,0,0,1,0|2,0,0]=4 722 B12R1.75 CC(=O)NC1=C(C=CC=C1)C=O MCULE-1063993291 [1,0,0,0,1,0|2,0,0]=4 723 B12R1.75 CC(=O)OC1=C(C=CC=C1)C=O MCULE-3586473282 [1,0,0,0,1,0|1,0,0]=3 724 B12R1.75 CC(=O)OC1=C(C=CC=C1)CN MCULE-7198985146 [1,0,0,0,1,0|1,0,1]=4 725 B12R1.75 CC(=O)OC1=C(C=CC=C1)CN MCULE-7277701614 [1,0,0,0,1,0|1,0,1]=4 726 B12R1.75 CCC1=C(C=CC=C1)CC(=O)O MCULE-2452435801 [1,0,0,0,1,0|1,0,1]=4 727 B12R1.75 CNC1=CC=CC=C1CC(=O)O MCULE-1576819013 [1,0,0,0,1,0|2,0,0]=4 728 B12R1.75 COC1=CC=CC=C1CC(=O)O MCULE-2213361181 [1,0,0,0,1,0|2,0,0]=4 729 B12R1.75 CSC1=CC=CC=C1CC(=O)O MCULE-6905383494 [1,0,0,0,1,0|2,0,0]=4 730 B12R1.75 N#CC1=CC=CC=C1CC(=O)O MCULE-6996028199 [1,0,0,0,1,0|0,0,2]=4 731 B12R1.75 NCC1=C(C=CC=C1)CC(=O)O MCULE-7676531177 [1,0,0,0,1,0|0,0,1]=3 732 B12R1.75 NCC1=CC=CC=C1CC(=O)O MCULE-1817328941 [1,0,0,0,1,0|0,0,1]=3 733 B12R1.75 O=C(O)CC1=C(C=CC=C1)CS MCULE-6405990247 [1,0,0,0,1,0|0,1,1]=4 734 B12R1.75 O=C(O)CC1=CC=CC=C1CBr MCULE-2596590708 [1,0,0,0,1,0|1,0,1]=4 735 B12R1.75 O=C(O)CC1=CC=CC=C1CCl MCULE-7452970310 [1,0,0,0,1,0|1,0,1]=4 736 B12R1.75 O=C(O)CC1=CC=CC=C1CO MCULE-2342564386 [1,0,0,0,1,0|0,0,2]=4 737 B12R1.75 O=CC1=CC=CC=C1CC(=O)O MCULE-8210254084 [1,0,0,0,1,0|0,0,0]=2 738 B12R1.81 O=CC1=C(C=CS1)SCC(=O)O MCULE-2562138265 [1,0,0,0,1,0|1,1,0]=4 739 B12R1.81 O=CC1=CC=CN1CCC(=O)O MCULE-5097030172 [1,0,0,0,1,0|2,0,0]=4 740 B12R1.261 CC(=O)C1=C(C=CC=C1)C(=O)C MCULE-8127457015 [0,0,0,0,2,0|2,0,0]=4 741 B12R1.261 CC(=O)C1=C(C=CC=N1)C(=O)O MCULE-6515097923 [0,0,0,0,2,0|2,0,0]=4 742 B12R1.261 CC(=O)C1=CC=CC=C1C(=O)Cl MCULE-1765251115 [0,0,0,0,2,0|2,0,0]=4 743 B12R1.261 CC(=O)C1=CC=CC=C1C(=O)O MCULE-7363003448 [0,0,0,0,2,0|1,0,0]=3 744 B12R1.261 CC(=O)C1=CC=CN=C1C(=O)O MCULE-8161361642 [0,0,0,0,2,0|2,0,0]=4 745 B12R1.261 CC(N)C1=CC=CC=C1C(=O)O MCULE-8650746123 [0,0,0,0,2,0|1,0,1]=4 746 B12R1.261 CC(N)C1=CC=CC=C1C(=O)O MCULE-9609008723 [0,0,0,0,2,0|1,0,1]=4 747 B12R1.261 CS(=O)C1=C(C=CC=C1)C(=O)O MCULE-3173889444 [0,0,0,0,2,0|2,0,0]=4 748 B12R1.261 C[C@@H](N)C1=CC=CC=C1C(=O)O MCULE-6849862508 [0,0,0,0,2,0|1,0,1]=4 749 B12R1.261 C[C@@H](N)C1=CC=CC=C1C(=O)O MCULE-9842865976 [0,0,0,0,2,0|1,0,1]=4 750 B12R1.261 C[C@H](N)C1=CC=CC=C1C(=O)O MCULE-1164292262 [0,0,0,0,2,0|1,0,1]=4 751 B12R1.261 C[C@H](N)C1=CC=CC=C1C(=O)O MCULE-7958697940 [0,0,0,0,2,0|1,0,1]=4 752 B12R1.261 N=C(N)C1=C(C=CC=C1)C(=O)O MCULE-9719518377 [0,0,0,0,2,0|1,0,0]=3 753 B12R1.261 N=C(N)C1=CC=CC=C1C(=O)O MCULE-9966971962 [0,0,0,0,2,0|1,0,0]=3 754 B12R1.261 NC(=O)C1=C(C=CC=C1)C(=O)N MCULE-9121420422 [0,0,0,0,2,0|1,0,0]=3 755 B12R1.261 NC(=O)C1=C(C=CC=C1)N(=O)=O MCULE-3155069269 [0,0,0,0,2,0|1,0,1]=4 756 B12R1.261 NC(=O)C1=C(C=CC=N1)C(=O)O MCULE-1406870021 [0,0,0,0,2,0|1,0,0]=3 757 B12R1.261 NC(=O)C1=C(C=NC=C1)C(=O)N MCULE-6214710169 [0,0,0,0,2,0|2,0,0]=4 758 B12R1.261 NC(=O)C1=C(N=CC=C1)C(=O)N MCULE-9477991075 [0,0,0,0,2,0|2,0,0]=4 759 B12R1.261 NC(=O)C1=C(N=CC=C1)C(=O)O MCULE-3923055422 [0,0,0,0,2,0|1,0,0]=3 760 B12R1.261 NC(=O)C1=C(N=CC=N1)C(=O)O MCULE-1532166101 [0,0,0,0,2,0|2,0,0]=4 761 B12R1.261 NC(=O)C1=CC=CC=C1B(O)O MCULE-7189761074 [0,0,0,0,2,0|1,0,1]=4 762 B12R1.261 NC(=O)C1=CC=CC=C1C(=O)O MCULE-4970133228 [0,0,0,0,2,0|0,0,0]=2 763 B12R1.261 NC(=O)C1=CC=NC=C1C(=O)O MCULE-7389852342 [0,0,0,0,2,0|1,0,0]=3 764 B12R1.261 O=C(Cl)C1=CC=CC=C1C(=O)Cl MCULE-7523310459 [0,0,0,0,2,0|2,0,0]=4 765 B12R1.261 O=C(O)C1=C(C=CC=C1)S(=O)O MCULE-4903524306 [0,0,0,0,2,0|2,0,0]=4 766 B12R1.261 O=C(O)C1=C(C=NC=C1)C(=O)O MCULE-9167973257 [0,0,0,0,2,0|2,0,0]=4 767 B12R1.261 O=C(O)C1=CC=CC=C1C(=O)O MCULE-4747891013 [0,0,0,0,2,0|1,0,0]=3 768 B12R1.261 O=C(O)C1=CC=CC=C1I(=O)=O MCULE-6964235236 [0,0,0,0,2,0|2,0,0]=4 769 B12R1.261 O=C(O)C1=CC=CC=C1N(=O)=O MCULE-3357987129 [0,0,0,0,2,0|2,0,0]=4 770 B12R1.261 O=C(O)C1=CC=CN=C1C(=O)O MCULE-7041185901 [0,0,0,0,2,0|2,0,0]=4 771 B12R1.261 O=C([O-])C1=C(C=CC=C1)C(=O)O MCULE-1944452251 [0,0,0,0,2,0|1,0,0]=3 772 B12R1.261 O=C([O-])C1=CC=CC=C1C(=O)O MCULE-6292903963 [0,0,0,0,2,0|1,0,0]=3 773 B12R1.261 O=C([O-])C1=CC=CC=C1C(=O)O MCULE-7154530233 [0,0,0,0,2,0|1,0,0]=3 774 B12R1.261 O=C([O-])C1=CC=CC=C1C(=O)[O-] MCULE-4658064312 [0,0,0,0,2,0|1,0,1]=4 775 B12R1.261 O=C([O-])C1=CC=CC=C1C(=O)[O-] MCULE-5372933453 [0,0,0,0,2,0|1,0,1]=4 776 B12R1.392 NC(=O)C1=CC=NN1CC(=O)O MCULE-4007514285 [0,0,0,0,2,0|2,0,0]=4 777 B12R1.392 O=C(O)CC1=C(C=CN1)C(=O)O MCULE-9003066322 [0,0,0,0,2,0|2,0,0]=4 778 B12R1.392 O=C(O)CC1=C(C=CO1)C(=O)O MCULE-9284526321 [0,0,0,0,2,0|2,0,0]=4 779 B12R1.392 O=C(O)CC1=C(C=CS1)C(=O)O MCULE-1909301782 [0,0,0,0,2,0|2,0,0]=4 780 B12R1.392 O=C(O)CC1=CSC=C1C(=O)O MCULE-3804686012 [0,0,0,0,2,0|2,0,0]=4 781 B14R1.96 CCC1=C(C=CC=C1)OCCC(=O)O MCULE-7450777454 [1,0,0,0,0,1|1,0,1]=4 782 B14R1.96 COC1=C(C=CC=C1)COCC(=O)O MCULE-3967559137 [1,0,0,0,0,1|2,0,0]=4 783 B14R1.96 COC1=CC=CC=C1OCCC(=O)O MCULE-4846511318 [1,0,0,0,0,1|2,0,0]=4 784 B14R1.96 N#CC1=CC=CC=C1OCCC(=O)O MCULE-2134906388 [1,0,0,0,0,1|0,0,2]=4 785 B14R1.96 O=CC1=C(C=CC=C1)OCCC(=O)O MCULE-5025555093 [1,0,0,0,0,1|0,0,0]=2 786 B14R1.786 C=CCOC1=CC=CC=C1CC(=O)O MCULE-7166880416 [1,0,0,0,0,1|2,0,0]=4 787 B14R1.786 C=CCOC1=CC=CC=C1NC(=O)C MCULE-6968346458 [1,0,0,0,0,1|2,0,0]=4 788 B14R1.6355 CC(=O)C1=CC(=CC=C1)NCC(=O)O MCULE-4040122678 [0,0,0,0,1,1|2,0,0]=4 789 B14R1.6355 CC(=O)C1=CC(=CC=C1)OCC(=O)N MCULE-5149317973 [0,0,0,0,1,1|2,0,0]=4 790 B14R1.6355 CC(=O)C1=CC(=CC=C1)OCC(=O)O MCULE-5350654979 [0,0,0,0,1,1|1,0,0]=3 791 B14R1.6355 NC(=O)C1=CC(=CC=C1)OCC(=O)O MCULE-2760925789 [0,0,0,0,1,1|0,0,0]=2 792 B14R1.6355 NC(=O)COC1=CC(=CC=C1)C(=O)O MCULE-1908941662 [0,0,0,0,1,1|2,0,0]=4 793 B14R1.6355 O=C(O)CCC1=CC(=CC=C1)C(=O)O MCULE-3969644510 [0,0,0,0,1,1|2,0,0]=4 794 B14R1.6355 O=C(O)COC1=CC(=CC=C1)C(=O)O MCULE-8111446819 [0,0,0,0,1,1|1,0,0]=3 795 B14R1.6355 O=C(O)COC1=CC(=CC=C1)N(=O)=O MCULE-2002110045 [0,0,0,0,1,1|2,0,0]=4 796 B14R1.6355 O=C(O)CSC1=CC=CC(=C1)C(=O)O MCULE-4140622287 [0,0,0,0,1,1|1,1,0]=4 797 B14R1.6355 O=C(O)CSC1=CC=CC(=N1)C(=O)O MCULE-8032878705 [0,0,0,0,1,1|1,1,0]=4 798 B16R1.7619 CC(=O)COC1=C(C=CC=C1)OCC(=O)O MCULE-1103736542 [0,0,0,0,0,2|1,0,0]=3 799 B16R1.7619 CC(=O)SCC1=CC=CC=C1CCC(=O)O MCULE-5836373207 [0,0,0,0,0,2|2,0,0]=4 800 B16R1.7619 NC(=O)COC1=C(C=CC=C1)OCC(=O)N MCULE-7893939611 [0,0,0,0,0,2|1,0,0]=3 801 B16R1.7619 O=C(O)C=CC1=CC=CC=C1OCC(=O)O MCULE-9988586466 [0,0,0,0,0,2|1,0,0]=3 802 B16R1.7619 O=C(O)COC1=CC=CC=C1OCC(=O)O MCULE-2444442260 [0,0,0,0,0,2|1,0,0]=3 803 B16R1.12322 CC(=O)CCCOC1=C(C=CC=C1)C(=O)N MCULE-1426414815 [0,0,0,0,0,2|1,0,0]=3 804 B16R1.12322 O=C(O)CCCNC1=C(C=CC=C1)C(=O)O MCULE-4351064322 [0,0,0,0,0,2|2,0,0]=4