0 B8R0.9 C(=CC(=O)NC)C(=O)O MCULE-6946307549 [0,0,0,0,0,0|2,0,2]=4 1 B8R0.9 C=CC(=CCC(=O)O)C MCULE-5960312667 [0,0,0,0,0,0|2,0,2]=4 2 B8R0.9 C=CC(=O)COC(=O)C MCULE-1008872923 [0,0,0,0,0,0|3,0,1]=4 3 B8R0.9 C=CC(=O)NCC(=O)N MCULE-4638561901 [0,0,0,0,0,0|3,0,1]=4 4 B8R0.9 C=CC(=O)NCC(=O)O MCULE-6459513586 [0,0,0,0,0,0|2,0,1]=3 5 B8R0.9 C=CC(N)CCC(=O)O MCULE-3453656580 [0,0,0,0,0,0|2,0,2]=4 6 B8R0.9 C=CC(N)CCC(=O)O MCULE-4435406748 [0,0,0,0,0,0|2,0,2]=4 7 B8R0.9 C=C[C@@H](N)CCC(=O)O MCULE-5470042954 [0,0,0,0,0,0|2,0,2]=4 8 B8R0.9 C=C[C@@H](N)CCC(=O)O MCULE-9017090012 [0,0,0,0,0,0|2,0,2]=4 9 B8R0.9 C=C[C@H](N)CCC(=O)O MCULE-4615585642 [0,0,0,0,0,0|2,0,2]=4 10 B8R0.9 CC(=NO)CCC(=O)O MCULE-2481442220 [0,0,0,0,0,0|3,0,0]=3 11 B8R0.9 CC(=O)NCC(=O)NN MCULE-1688027287 [0,0,0,0,0,0|4,0,0]=4 12 B8R0.9 CC(=O)NNC(=O)CBr MCULE-4536348366 [0,0,0,0,0,0|3,1,0]=4 13 B8R0.9 CC(=O)NNC(=O)CCl MCULE-7123176949 [0,0,0,0,0,0|3,1,0]=4 14 B8R0.9 CC(=O)OCC(=O)CCl MCULE-5422965047 [0,0,0,0,0,0|2,1,0]=3 15 B8R0.9 CC(C#N)CCC(=O)O MCULE-6867167636 [0,0,0,0,0,0|2,0,2]=4 16 B8R0.9 CC(C)CCC(=O)CCl MCULE-7122163926 [0,0,0,0,0,0|2,1,1]=4 17 B8R0.9 CC(C)CCC(=O)CN MCULE-2601333978 [0,0,0,0,0,0|3,0,1]=4 18 B8R0.9 CC(C)CCC(=O)CN MCULE-9600279855 [0,0,0,0,0,0|3,0,1]=4 19 B8R0.9 CC(CCl)CCC(=O)Cl MCULE-3716923938 [0,0,0,0,0,0|2,1,1]=4 20 B8R0.9 CC(O)CCC(=O)NN MCULE-3743680204 [0,0,0,0,0,0|3,0,1]=4 21 B8R0.9 CCC(=CCC(=O)O)C MCULE-3358969895 [0,0,0,0,0,0|2,0,1]=3 22 B8R0.9 CCC(=O)C=CC(=O)O MCULE-2770953486 [0,0,0,0,0,0|1,0,2]=3 23 B8R0.9 CCC(=O)CCC(=O)C MCULE-7923444653 [0,0,0,0,0,0|2,0,0]=2 24 B8R0.9 CCC(=O)CCC(=O)O MCULE-4505750030 [0,0,0,0,0,0|1,0,0]=1 25 B8R0.9 CCC(=O)CCC(C)C MCULE-3065298823 [0,0,0,0,0,0|3,0,1]=4 26 B8R0.9 CCC(=O)COC(=O)C MCULE-4876335377 [0,0,0,0,0,0|3,0,0]=3 27 B8R0.9 CCC(=O)NCC(=O)O MCULE-9173889437 [0,0,0,0,0,0|2,0,0]=2 28 B8R0.9 CCC(C)CCC(=O)C MCULE-6498666006 [0,0,0,0,0,0|3,0,1]=4 29 B8R0.9 CCC(C)CCC(=O)O MCULE-9270270979 [0,0,0,0,0,0|2,0,1]=3 30 B8R0.9 CCC(C)NCC(=O)O MCULE-1578825700 [0,0,0,0,0,0|3,0,1]=4 31 B8R0.9 CCC(C)NCC(=O)O MCULE-8981987872 [0,0,0,0,0,0|3,0,1]=4 32 B8R0.9 CCC(C)OCC(=O)O MCULE-8235265405 [0,0,0,0,0,0|3,0,1]=4 33 B8R0.9 CCC(Cl)CCC(=O)Cl MCULE-3849391288 [0,0,0,0,0,0|3,0,1]=4 34 B8R0.9 CCC(N)CCC(=O)O MCULE-3116763773 [0,0,0,0,0,0|2,0,1]=3 35 B8R0.9 CCC(N)CCC(=O)O MCULE-9126260921 [0,0,0,0,0,0|2,0,1]=3 36 B8R0.9 CCC(O)CCC(=O)O MCULE-1512608136 [0,0,0,0,0,0|1,0,2]=3 37 B8R0.9 CCC(O)CCC(=O)[O-] MCULE-6831827135 [0,0,0,0,0,0|1,0,3]=4 38 B8R0.9 CCN(C)CCC(=O)O MCULE-2510720087 [0,0,0,0,0,0|3,0,0]=3 39 B8R0.9 CCN(C)CCC(=O)O MCULE-4192684079 [0,0,0,0,0,0|3,0,0]=3 40 B8R0.9 CCS(=O)CCC(=O)O MCULE-4027618720 [0,0,0,0,0,0|2,0,0]=2 41 B8R0.9 CNC(=O)/C=C\C(=O)O MCULE-9272095560 [0,0,0,0,0,0|2,0,2]=4 42 B8R0.9 CNC(=O)CCC(=O)O MCULE-8340443315 [0,0,0,0,0,0|2,0,0]=2 43 B8R0.9 CNC(=O)CNC(=O)C MCULE-3508245247 [0,0,0,0,0,0|4,0,0]=4 44 B8R0.9 CNC(=O)NCC(=O)O MCULE-9575946804 [0,0,0,0,0,0|3,0,0]=3 45 B8R0.9 COC(=O)/C=C/C(=O)O MCULE-6611318809 [0,0,0,0,0,0|2,0,2]=4 46 B8R0.9 COC(=O)/C=C\C(=O)O MCULE-6268249504 [0,0,0,0,0,0|2,0,2]=4 47 B8R0.9 COC(=O)C=CC(=O)O MCULE-3111892186 [0,0,0,0,0,0|2,0,2]=4 48 B8R0.9 COC(=O)CCC(=O)C MCULE-6324755148 [0,0,0,0,0,0|3,0,0]=3 49 B8R0.9 COC(=O)CCC(=O)Cl MCULE-2684320402 [0,0,0,0,0,0|3,0,0]=3 50 B8R0.9 COC(=O)CCC(=O)N MCULE-1154081515 [0,0,0,0,0,0|3,0,0]=3 51 B8R0.9 COC(=O)CCC(=O)O MCULE-4083173324 [0,0,0,0,0,0|2,0,0]=2 52 B8R0.9 COC(=O)CCC(=S)N MCULE-4037707510 [0,0,0,0,0,0|3,1,0]=4 53 B8R0.9 COC(=O)CCN(=O)=O MCULE-3836108700 [0,0,0,0,0,0|3,0,1]=4 54 B8R0.9 COC(=O)CCS(=O)O MCULE-4935012562 [0,0,0,0,0,0|3,0,0]=3 55 B8R0.9 COC(=O)CCS(=O)[O-] MCULE-5802411922 [0,0,0,0,0,0|3,0,1]=4 56 B8R0.9 COC(=O)CNC(=O)C MCULE-3795072377 [0,0,0,0,0,0|4,0,0]=4 57 B8R0.9 COC(=O)NCC(=O)C MCULE-1043877696 [0,0,0,0,0,0|4,0,0]=4 58 B8R0.9 COC(=O)NCC(=O)O MCULE-3693365728 [0,0,0,0,0,0|3,0,0]=3 59 B8R0.9 COC(C)CCC(=O)O MCULE-5873043454 [0,0,0,0,0,0|3,0,1]=4 60 B8R0.9 CSC(C)CCC(=O)O MCULE-3505570511 [0,0,0,0,0,0|3,0,1]=4 61 B8R0.9 NCC(=O)CCC(=O)O MCULE-6371115085 [0,0,0,0,0,0|1,0,0]=1 62 B8R0.9 NCC(=O)CCC(=O)O MCULE-8125179397 [0,0,0,0,0,0|1,0,0]=1 63 B8R0.9 NCC(=O)CCC(=O)O MCULE-8676354165 [0,0,0,0,0,0|1,0,0]=1 64 B8R0.9 NCC(=O)NCC(=O)N MCULE-8386571025 [0,0,0,0,0,0|3,0,0]=3 65 B8R0.9 NCC(=O)NCC(=O)O MCULE-1239116894 [0,0,0,0,0,0|2,0,0]=2 66 B8R0.9 NCC(=O)NCC(=O)O MCULE-2139302839 [0,0,0,0,0,0|2,0,0]=2 67 B8R0.9 NCC(N)CCC(=O)O MCULE-1054409990 [0,0,0,0,0,0|2,0,1]=3 68 B8R0.9 NC[C@@H](N)CCC(=O)O MCULE-2916881042 [0,0,0,0,0,0|2,0,1]=3 69 B8R0.9 NC[C@@H](N)CCC(=O)O MCULE-7249154843 [0,0,0,0,0,0|2,0,1]=3 70 B8R0.9 NNC(=O)CCC(=O)N MCULE-9710004878 [0,0,0,0,0,0|3,0,0]=3 71 B8R0.9 NNC(=O)CCC(=O)O MCULE-7643180740 [0,0,0,0,0,0|2,0,0]=2 72 B8R0.9 NNC(=O)CCC(=O)O MCULE-9888193887 [0,0,0,0,0,0|2,0,0]=2 73 B8R0.9 NNC(=O)NCC(=O)O MCULE-6013763993 [0,0,0,0,0,0|3,0,0]=3 74 B8R0.9 NNC(=O)NCC(=O)O MCULE-8104731063 [0,0,0,0,0,0|3,0,0]=3 75 B8R0.9 N[C@H](CO)CCC(=O)O MCULE-1233079264 [0,0,0,0,0,0|2,0,1]=3 76 B8R0.9 N[C@H](CO)CCC(=O)O MCULE-8091475267 [0,0,0,0,0,0|2,0,1]=3 77 B8R0.9 O=C(O)CCC(=O)CBr MCULE-8373387398 [0,0,0,0,0,0|0,1,0]=1 78 B8R0.9 O=C(O)CCC(=O)NO MCULE-2226202964 [0,0,0,0,0,0|2,0,0]=2 79 B8R0.9 O=C(O)CCP(=O)CO MCULE-3163541128 [0,0,0,0,0,0|2,0,0]=2 80 B8R0.9 O=C(O)CNC(=O)CCl MCULE-2917654196 [0,0,0,0,0,0|1,1,0]=2 81 B8R0.9 O=C(O)COC(=O)CO MCULE-4022202206 [0,0,0,0,0,0|2,0,0]=2 82 B7R0.3 C=CCCC(=O)CBr MCULE-8443541398 [1,0,0,0,0,0|1,1,0]=3 83 B7R0.3 C=CCCC(=O)CC MCULE-7933484898 [1,0,0,0,0,0|2,0,0]=3 84 B7R0.3 C=CCCC(=O)CCl MCULE-4669619111 [1,0,0,0,0,0|1,1,0]=3 85 B7R0.3 C=CCCC(=O)NC MCULE-9859680580 [1,0,0,0,0,0|3,0,0]=4 86 B7R0.3 C=CCCC(=O)NN MCULE-1170308182 [1,0,0,0,0,0|3,0,0]=4 87 B7R0.3 C=CCCC(=O)OC MCULE-8671478952 [1,0,0,0,0,0|3,0,0]=4 88 B7R0.3 C=CCNC(=O)CBr MCULE-5894560132 [1,0,0,0,0,0|2,1,0]=4 89 B7R0.3 C=CCNC(=O)CCl MCULE-4830676670 [1,0,0,0,0,0|2,1,0]=4 90 B7R0.3 C=CCNC(=O)CN MCULE-8221456161 [1,0,0,0,0,0|3,0,0]=4 91 B7R0.3 C=CCNC(=O)CN MCULE-9764331326 [1,0,0,0,0,0|3,0,0]=4 92 B7R0.3 C=CCNC(=O)CO MCULE-1240234665 [1,0,0,0,0,0|3,0,0]=4 93 B7R0.3 C=CCNC(=O)CS MCULE-1040670812 [1,0,0,0,0,0|3,0,0]=4 94 B7R0.3 C=CCOC(=O)CBr MCULE-1915528510 [1,0,0,0,0,0|2,1,0]=4 95 B7R0.3 C=CCOC(=O)CCl MCULE-4722834512 [1,0,0,0,0,0|2,1,0]=4 96 B7R0.3 C=CCOC(=O)CI MCULE-1155914135 [1,0,0,0,0,0|2,1,0]=4 97 B7R0.3 C=CCOC(=O)CN MCULE-2053601318 [1,0,0,0,0,0|3,0,0]=4 98 B7R0.3 C=CCOC(=O)CN MCULE-8513191813 [1,0,0,0,0,0|3,0,0]=4 99 B7R0.3 C=CCOC(=O)CS MCULE-3191036289 [1,0,0,0,0,0|3,0,0]=4 100 B7R0.3 CCC(=O)/C=C/C=O MCULE-5654548275 [1,0,0,0,0,0|1,0,2]=4 101 B7R0.3 CCC(=O)C=CC=O MCULE-8246295239 [1,0,0,0,0,0|1,0,2]=4 102 B7R0.3 CCC(=O)CCCBr MCULE-3298679210 [1,0,0,0,0,0|2,0,1]=4 103 B7R0.3 CCC(=O)CCCCl MCULE-3397599793 [1,0,0,0,0,0|2,0,1]=4 104 B7R0.3 CCC(=O)NCCO MCULE-7351790148 [1,0,0,0,0,0|2,0,1]=4 105 B7R0.3 CCC(=O)OCCO MCULE-6019276519 [1,0,0,0,0,0|2,0,1]=4 106 B7R0.3 CCCCC(=O)CBr MCULE-5866288227 [1,0,0,0,0,0|1,1,1]=4 107 B7R0.3 CCCCC(=O)CC MCULE-7758340382 [1,0,0,0,0,0|2,0,1]=4 108 B7R0.3 CCCCC(=O)CCl MCULE-9673190063 [1,0,0,0,0,0|1,1,1]=4 109 B7R0.3 CNC(=O)CCCO MCULE-2592655912 [1,0,0,0,0,0|2,0,1]=4 110 B7R0.3 COC(=O)CCC=O MCULE-2572188002 [1,0,0,0,0,0|2,0,0]=3 111 B7R0.3 COC(=O)CCCO MCULE-6149839873 [1,0,0,0,0,0|2,0,1]=4 112 B7R0.3 COC(=O)CNC=O MCULE-1485317532 [1,0,0,0,0,0|3,0,0]=4 113 B7R0.3 COCCC(=O)CCl MCULE-2918704994 [1,0,0,0,0,0|2,1,0]=4 114 B7R0.3 NCC(=O)NCCO MCULE-3809178129 [1,0,0,0,0,0|2,0,1]=4 115 B7R0.3 NCC(=O)NCCO MCULE-7057019123 [1,0,0,0,0,0|2,0,1]=4 116 B7R0.3 NNC(=O)CCCO MCULE-4131007358 [1,0,0,0,0,0|2,0,1]=4 117 B7R0.3 O=C(CCl)CCCCl MCULE-2362491395 [1,0,0,0,0,0|1,1,1]=4 118 B7R0.3 O=C(CCl)NCCO MCULE-2803332455 [1,0,0,0,0,0|1,1,1]=4 119 B7R0.3 O=C(CO)NCCO MCULE-8933511918 [1,0,0,0,0,0|2,0,1]=4 120 B7R0.4 C#CCCCC(=O)O MCULE-7464892335 [1,0,0,0,0,0|1,0,2]=4 121 B7R0.4 C(=C/CC(=O)O)\CC MCULE-2731794411 [1,0,0,0,0,0|1,0,1]=3 122 B7R0.4 C=C=CCCC(=O)O MCULE-4179366971 [1,0,0,0,0,0|1,0,1]=3 123 B7R0.4 C=CCCCC(=O)O MCULE-6043142578 [1,0,0,0,0,0|1,0,2]=4 124 B7R0.4 CC#CCCC(=O)O MCULE-1415388780 [1,0,0,0,0,0|1,0,2]=4 125 B7R0.4 CC(=O)CCCCBr MCULE-8801446022 [1,0,0,0,0,0|1,1,1]=4 126 B7R0.4 CC(=O)CCCCCl MCULE-2883443563 [1,0,0,0,0,0|1,1,1]=4 127 B7R0.4 CC(=O)CCCCO MCULE-9846338144 [1,0,0,0,0,0|2,0,1]=4 128 B7R0.4 CC(=O)CSCCF MCULE-8129308816 [1,0,0,0,0,0|2,0,1]=4 129 B7R0.4 CC=CCCC(=O)O MCULE-4275247668 [1,0,0,0,0,0|1,0,1]=3 130 B7R0.4 CCC=CCC(=O)O MCULE-5031939966 [1,0,0,0,0,0|1,0,1]=3 131 B7R0.4 CCCCCC(=O)C MCULE-6017828463 [1,0,0,0,0,0|2,0,1]=4 132 B7R0.4 CCCCCC(=O)Cl MCULE-5446850478 [1,0,0,0,0,0|2,0,1]=4 133 B7R0.4 CCCCCC(=O)N MCULE-3215992514 [1,0,0,0,0,0|2,0,1]=4 134 B7R0.4 CCCCCC(=O)O MCULE-1671810139 [1,0,0,0,0,0|1,0,1]=3 135 B7R0.4 CCCCCC(=O)[O-] MCULE-5310584661 [1,0,0,0,0,0|1,0,2]=4 136 B7R0.4 CCCCCC(=O)[O-] MCULE-9495078126 [1,0,0,0,0,0|1,0,2]=4 137 B7R0.4 CCCNCC(=O)O MCULE-4384128915 [1,0,0,0,0,0|2,0,1]=4 138 B7R0.4 CCCNCC(=O)O MCULE-7537317046 [1,0,0,0,0,0|2,0,1]=4 139 B7R0.4 CCCOCC(=O)O MCULE-6841640058 [1,0,0,0,0,0|2,0,1]=4 140 B7R0.4 CCCSCC(=O)O MCULE-7463688573 [1,0,0,0,0,0|2,0,1]=4 141 B7R0.4 CCNCCC(=O)N MCULE-4857735433 [1,0,0,0,0,0|3,0,0]=4 142 B7R0.4 CCNCCC(=O)N MCULE-8238114591 [1,0,0,0,0,0|3,0,0]=4 143 B7R0.4 CCNCCC(=O)O MCULE-4226597657 [1,0,0,0,0,0|2,0,0]=3 144 B7R0.4 CCNCCC(=O)O MCULE-9183951914 [1,0,0,0,0,0|2,0,0]=3 145 B7R0.4 CCOCCC(=O)C MCULE-8449201493 [1,0,0,0,0,0|3,0,0]=4 146 B7R0.4 CCOCCC(=O)Cl MCULE-8299617790 [1,0,0,0,0,0|3,0,0]=4 147 B7R0.4 CCOCCC(=O)O MCULE-3962084059 [1,0,0,0,0,0|2,0,0]=3 148 B7R0.4 CCSCCC(=O)O MCULE-9385724904 [1,0,0,0,0,0|2,0,0]=3 149 B7R0.4 CNCCCC(=O)O MCULE-7598762485 [1,0,0,0,0,0|2,0,1]=4 150 B7R0.4 CNCCCC(=O)O MCULE-7877286915 [1,0,0,0,0,0|2,0,1]=4 151 B7R0.4 COCCCC(=O)O MCULE-3165881573 [1,0,0,0,0,0|2,0,1]=4 152 B7R0.4 CSCCCC(=O)O MCULE-2126637794 [1,0,0,0,0,0|2,0,1]=4 153 B7R0.4 CSSCCC(=O)O MCULE-6571821309 [1,0,0,0,0,0|3,0,0]=4 154 B7R0.4 N#CCCCC(=O)O MCULE-9921837071 [1,0,0,0,0,0|1,0,2]=4 155 B7R0.4 N#N=NCCC(=O)O MCULE-2098979516 [1,0,0,0,0,0|3,0,0]=4 156 B7R0.4 NC(=O)CCCCBr MCULE-4949681497 [1,0,0,0,0,0|1,1,1]=4 157 B7R0.4 NC(=O)CCCCCl MCULE-7937142112 [1,0,0,0,0,0|1,1,1]=4 158 B7R0.4 NC(=O)CCCCO MCULE-4820227146 [1,0,0,0,0,0|2,0,1]=4 159 B7R0.4 NCCCCC(=O)N MCULE-3198962228 [1,0,0,0,0,0|2,0,1]=4 160 B7R0.4 NCCCCC(=O)N MCULE-7986221705 [1,0,0,0,0,0|2,0,1]=4 161 B7R0.4 NCCCCC(=O)O MCULE-1155829905 [1,0,0,0,0,0|1,0,1]=3 162 B7R0.4 NCCCCC(=O)O MCULE-3920398524 [1,0,0,0,0,0|1,0,1]=3 163 B7R0.4 NCCCCC(=O)O MCULE-4404796498 [1,0,0,0,0,0|1,0,1]=3 164 B7R0.4 NCCCCC(=O)O MCULE-4971679857 [1,0,0,0,0,0|1,0,1]=3 165 B7R0.4 NCCNCC(=O)O MCULE-9689592343 [1,0,0,0,0,0|2,0,1]=4 166 B7R0.4 NCCNCC(=O)O MCULE-9795251557 [1,0,0,0,0,0|2,0,1]=4 167 B7R0.4 NCCOCC(=O)O MCULE-2375694645 [1,0,0,0,0,0|2,0,1]=4 168 B7R0.4 NCCOCC(=O)O MCULE-5877065986 [1,0,0,0,0,0|2,0,1]=4 169 B7R0.4 NCCSCC(=O)O MCULE-5565800206 [1,0,0,0,0,0|2,0,1]=4 170 B7R0.4 NCCSCC(=O)O MCULE-8322098978 [1,0,0,0,0,0|2,0,1]=4 171 B7R0.4 NOCCCC(=O)O MCULE-4102473285 [1,0,0,0,0,0|2,0,1]=4 172 B7R0.4 NOCCCC(=O)O MCULE-7068985203 [1,0,0,0,0,0|2,0,1]=4 173 B7R0.4 O=C(Cl)CCCCBr MCULE-5574450546 [1,0,0,0,0,0|1,1,1]=4 174 B7R0.4 O=C(Cl)CCCCCl MCULE-9605707894 [1,0,0,0,0,0|1,1,1]=4 175 B7R0.4 O=C(Cl)CCCCF MCULE-8110878511 [1,0,0,0,0,0|1,0,1]=3 176 B7R0.4 O=C(Cl)OCCCF MCULE-4930474319 [1,0,0,0,0,0|2,0,1]=4 177 B7R0.4 O=C(O)CCC=CBr MCULE-1826887170 [1,0,0,0,0,0|0,1,1]=3 178 B7R0.4 O=C(O)CCCCBr MCULE-2655919094 [1,0,0,0,0,0|0,1,1]=3 179 B7R0.4 O=C(O)CCCCCl MCULE-4094641005 [1,0,0,0,0,0|0,1,1]=3 180 B7R0.4 O=C(O)CCCCO MCULE-8816195933 [1,0,0,0,0,0|1,0,1]=3 181 B7R0.4 O=C(O)CCCCS MCULE-2427465795 [1,0,0,0,0,0|1,0,1]=3 182 B7R0.4 O=C(O)CNCCO MCULE-7501311949 [1,0,0,0,0,0|2,0,1]=4 183 B7R0.4 O=C(O)COCCBr MCULE-4593325557 [1,0,0,0,0,0|1,1,1]=4 184 B7R0.4 O=C(O)COCCCl MCULE-2978816248 [1,0,0,0,0,0|1,1,1]=4 185 B7R0.4 O=C(O)COCCF MCULE-9820799514 [1,0,0,0,0,0|1,0,1]=3 186 B7R0.4 O=C(O)COCCO MCULE-8297137880 [1,0,0,0,0,0|2,0,1]=4 187 B7R0.4 O=C(O)CSCCCl MCULE-5204967583 [1,0,0,0,0,0|1,1,1]=4 188 B7R0.4 O=C(O)CSCCO MCULE-1062560307 [1,0,0,0,0,0|2,0,1]=4 189 B7R0.4 O=C([O-])CCCCO MCULE-3836827182 [1,0,0,0,0,0|1,0,2]=4 190 B7R0.4 O=CCCCC(=O)O MCULE-8389457571 [1,0,0,0,0,0|1,0,2]=4 191 B7R0.6 C=C(Br)CCC(=O)O MCULE-5257916083 [1,0,0,0,0,0|1,0,1]=3 192 B7R0.6 C=C(Br)CNC(=O)C MCULE-4123179812 [1,0,0,0,0,0|3,0,0]=4 193 B7R0.6 C=C(C)CCC(=C)C MCULE-6018302318 [1,0,0,0,0,0|3,0,0]=4 194 B7R0.6 C=C(C)CCC(=O)C MCULE-4201277876 [1,0,0,0,0,0|2,0,0]=3 195 B7R0.6 C=C(C)CCC(=O)N MCULE-7602727888 [1,0,0,0,0,0|2,0,0]=3 196 B7R0.6 C=C(C)CCC(=O)O MCULE-8738532812 [1,0,0,0,0,0|1,0,0]=2 197 B7R0.6 C=C(C)CCC(C)O MCULE-5005514248 [1,0,0,0,0,0|2,0,1]=4 198 B7R0.6 C=C(C)CCN(=O)=O MCULE-5685156382 [1,0,0,0,0,0|2,0,1]=4 199 B7R0.6 C=C(C)COC(=O)C MCULE-7739945243 [1,0,0,0,0,0|3,0,0]=4 200 B7R0.6 C=C(C)NCC(=O)O MCULE-6347105994 [1,0,0,0,0,0|2,0,0]=3 201 B7R0.6 C=C(Cl)CCC(=O)O MCULE-8617886776 [1,0,0,0,0,0|1,0,1]=3 202 B7R0.6 C=C(Cl)CSC(=O)C MCULE-4264447992 [1,0,0,0,0,0|3,0,0]=4 203 B7R0.6 CC(=CCC(=O)O)C MCULE-2552993418 [1,0,0,0,0,0|1,0,1]=3 204 B7R0.6 CC(=CCC(=O)[O-])C MCULE-6283758684 [1,0,0,0,0,0|1,0,2]=4 205 B7R0.6 CC(=O)/C=C/C(=O)O MCULE-8768861026 [1,0,0,0,0,0|0,0,2]=3 206 B7R0.6 CC(=O)C=CC(=O)C MCULE-9472466140 [1,0,0,0,0,0|1,0,2]=4 207 B7R0.6 CC(=O)C=CC(=O)Cl MCULE-8865772819 [1,0,0,0,0,0|1,0,2]=4 208 B7R0.6 CC(=O)C=CC(=O)O MCULE-6867353277 [1,0,0,0,0,0|0,0,2]=3 209 B7R0.6 CC(=O)CCC(=O)C MCULE-3166810473 [1,0,0,0,0,0|1,0,0]=2 210 B7R0.6 CC(=O)CCC(=O)N MCULE-8943258659 [1,0,0,0,0,0|1,0,0]=2 211 B7R0.6 CC(=O)CCC(=O)O MCULE-1392778065 [1,0,0,0,0,0|0,0,0]=1 212 B7R0.6 CC(=O)CCC(=O)[O-] MCULE-4975344808 [1,0,0,0,0,0|0,0,1]=2 213 B7R0.6 CC(=O)CCC(C)C MCULE-8518693213 [1,0,0,0,0,0|2,0,1]=4 214 B7R0.6 CC(=O)CCC(F)F MCULE-3009814756 [1,0,0,0,0,0|2,0,1]=4 215 B7R0.6 CC(=O)CCN(=O)=O MCULE-4726243654 [1,0,0,0,0,0|1,0,1]=3 216 B7R0.6 CC(=O)CCN(C)C MCULE-1601022082 [1,0,0,0,0,0|3,0,0]=4 217 B7R0.6 CC(=O)CCN(C)C MCULE-2933383790 [1,0,0,0,0,0|3,0,0]=4 218 B7R0.6 CC(=O)CNC(=O)C MCULE-7941086302 [1,0,0,0,0,0|2,0,0]=3 219 B7R0.6 CC(=O)CNC(=O)Cl MCULE-2043888982 [1,0,0,0,0,0|2,0,0]=3 220 B7R0.6 CC(=O)COC(=O)C MCULE-2994552521 [1,0,0,0,0,0|2,0,0]=3 221 B7R0.6 CC(=O)NCC(=O)Cl MCULE-3900899057 [1,0,0,0,0,0|2,0,0]=3 222 B7R0.6 CC(=O)NCC(=O)N MCULE-7934502236 [1,0,0,0,0,0|2,0,0]=3 223 B7R0.6 CC(=O)NCC(=O)O MCULE-5811325186 [1,0,0,0,0,0|1,0,0]=2 224 B7R0.6 CC(=O)NCC(C)O MCULE-2406798273 [1,0,0,0,0,0|2,0,1]=4 225 B7R0.6 CC(=O)NNC(=O)C MCULE-3292268906 [1,0,0,0,0,0|3,0,0]=4 226 B7R0.6 CC(=O)OCC(=O)Cl MCULE-3086938222 [1,0,0,0,0,0|2,0,0]=3 227 B7R0.6 CC(=O)OCC(=O)O MCULE-6837320824 [1,0,0,0,0,0|1,0,0]=2 228 B7R0.6 CC(=O)OCC(=S)N MCULE-7893306089 [1,0,0,0,0,0|2,1,0]=4 229 B7R0.6 CC(=O)OCC(C)O MCULE-3660209140 [1,0,0,0,0,0|2,0,1]=4 230 B7R0.6 CC(=O)SCC(=O)O MCULE-1974657694 [1,0,0,0,0,0|1,0,0]=2 231 B7R0.6 CC(=S)NCC(=O)O MCULE-9052571833 [1,0,0,0,0,0|1,1,0]=3 232 B7R0.6 CC(C)CCC(=O)Cl MCULE-6874903195 [1,0,0,0,0,0|2,0,1]=4 233 B7R0.6 CC(C)CCC(=O)N MCULE-3571818514 [1,0,0,0,0,0|2,0,1]=4 234 B7R0.6 CC(C)CCC(=O)O MCULE-7691755837 [1,0,0,0,0,0|1,0,1]=3 235 B7R0.6 CC(C)NCC(=O)O MCULE-4344882030 [1,0,0,0,0,0|2,0,1]=4 236 B7R0.6 CC(C)NCC(=O)O MCULE-7052227156 [1,0,0,0,0,0|2,0,1]=4 237 B7R0.6 CC(C)OCC(=O)O MCULE-8295905061 [1,0,0,0,0,0|2,0,1]=4 238 B7R0.6 CC(C)SCC(=O)O MCULE-3990750464 [1,0,0,0,0,0|2,0,1]=4 239 B7R0.6 CC(Cl)CCC(=O)Cl MCULE-3066199297 [1,0,0,0,0,0|2,0,1]=4 240 B7R0.6 CC(N)CCC(=O)O MCULE-3711689460 [1,0,0,0,0,0|1,0,1]=3 241 B7R0.6 CC(N)CCC(=O)O MCULE-5008572656 [1,0,0,0,0,0|1,0,1]=3 242 B7R0.6 CC(O)CCC(=O)O MCULE-6352217997 [1,0,0,0,0,0|0,0,2]=3 243 B7R0.6 CC(O)CCC(=O)[O-] MCULE-5872581098 [1,0,0,0,0,0|0,0,3]=4 244 B7R0.6 CC(S)CCC(=O)O MCULE-9612173883 [1,0,0,0,0,0|0,1,1]=3 245 B7R0.6 CN(C)CCC(=O)O MCULE-5553815845 [1,0,0,0,0,0|2,0,0]=3 246 B7R0.6 CN(C)CCC(=O)O MCULE-7454823322 [1,0,0,0,0,0|2,0,0]=3 247 B7R0.6 CS(=O)CCC(=O)O MCULE-8243349779 [1,0,0,0,0,0|1,0,0]=2 248 B7R0.6 C[C@@H](N)CCC(=O)O MCULE-3295260637 [1,0,0,0,0,0|1,0,1]=3 249 B7R0.6 C[C@@H](N)CCC(=O)O MCULE-5409083898 [1,0,0,0,0,0|1,0,1]=3 250 B7R0.6 C[C@@H](N)CCC(=O)O MCULE-6530230723 [1,0,0,0,0,0|1,0,1]=3 251 B7R0.6 C[C@@H](N)CCC(=O)O MCULE-7530095699 [1,0,0,0,0,0|1,0,1]=3 252 B7R0.6 C[C@@H](O)COC(=O)O MCULE-3794886346 [1,0,0,0,0,0|1,0,2]=4 253 B7R0.6 C[C@H](N)CCC(=O)O MCULE-3621527632 [1,0,0,0,0,0|1,0,1]=3 254 B7R0.6 C[C@H](N)CCC(=O)O MCULE-7670557122 [1,0,0,0,0,0|1,0,1]=3 255 B7R0.6 C[S+](C)CCC(=O)O MCULE-8115187503 [1,0,0,0,0,0|2,0,0]=3 256 B7R0.6 C[S+](C)CCC(=O)O MCULE-9668037011 [1,0,0,0,0,0|2,0,0]=3 257 B7R0.6 C[S+](C)CCC(=O)[O-] MCULE-4039981521 [1,0,0,0,0,0|2,0,1]=4 258 B7R0.6 N=C(N)NCC(=O)O MCULE-8180759180 [1,0,0,0,0,0|3,0,0]=4 259 B7R0.6 N=C(N)NCC(=O)O MCULE-8327589872 [1,0,0,0,0,0|3,0,0]=4 260 B7R0.6 N=C(N)SCC(=O)O MCULE-2089510220 [1,0,0,0,0,0|3,0,0]=4 261 B7R0.6 N=C(N)SCC(=O)O MCULE-3427937751 [1,0,0,0,0,0|3,0,0]=4 262 B7R0.6 NC(=O)/C=C/C(=O)O MCULE-4042951919 [1,0,0,0,0,0|1,0,2]=4 263 B7R0.6 NC(=O)/C=C\C(=O)O MCULE-9066996879 [1,0,0,0,0,0|1,0,2]=4 264 B7R0.6 NC(=O)C=CC(=O)O MCULE-2401877342 [1,0,0,0,0,0|1,0,2]=4 265 B7R0.6 NC(=O)CCC(=O)N MCULE-2107382817 [1,0,0,0,0,0|2,0,0]=3 266 B7R0.6 NC(=O)CCC(=O)O MCULE-5813999826 [1,0,0,0,0,0|1,0,0]=2 267 B7R0.6 NC(=O)NCC(=O)O MCULE-7640310218 [1,0,0,0,0,0|2,0,0]=3 268 B7R0.6 NC(=O)SCC(=O)O MCULE-2409074226 [1,0,0,0,0,0|2,0,0]=3 269 B7R0.6 NC(=S)NCC(=O)O MCULE-7421473219 [1,0,0,0,0,0|2,1,0]=4 270 B7R0.6 O=C(Cl)CCC(=O)Cl MCULE-6220065982 [1,0,0,0,0,0|1,1,0]=3 271 B7R0.6 O=C(O)/C=C/C(=O)O MCULE-3549142744 [1,0,0,0,0,0|1,0,2]=4 272 B7R0.6 O=C(O)/C=C/C(=O)O MCULE-5263906793 [1,0,0,0,0,0|1,0,2]=4 273 B7R0.6 O=C(O)/C=C\C(=O)O MCULE-1113222985 [1,0,0,0,0,0|1,0,2]=4 274 B7R0.6 O=C(O)C#CC(=O)O MCULE-3952041688 [1,0,0,0,0,0|1,0,2]=4 275 B7R0.6 O=C(O)C=CC(=O)O MCULE-5329407890 [1,0,0,0,0,0|1,0,2]=4 276 B7R0.6 O=C(O)C=CC(=O)O MCULE-7492596773 [1,0,0,0,0,0|1,0,2]=4 277 B7R0.6 O=C(O)C=CC(=O)O MCULE-8076793268 [1,0,0,0,0,0|1,0,2]=4 278 B7R0.6 O=C(O)C=CC(=O)O MCULE-9488315563 [1,0,0,0,0,0|1,0,2]=4 279 B7R0.6 O=C(O)C=CC(=O)O MCULE-9920754312 [1,0,0,0,0,0|1,0,2]=4 280 B7R0.6 O=C(O)CCB(O)O MCULE-9351023222 [1,0,0,0,0,0|2,0,1]=4 281 B7R0.6 O=C(O)CCC(=O)O MCULE-1233211613 [1,0,0,0,0,0|1,0,0]=2 282 B7R0.6 O=C(O)CCC(=O)O MCULE-5889111640 [1,0,0,0,0,0|1,0,0]=2 283 B7R0.6 O=C(O)CCC(F)F MCULE-6002651269 [1,0,0,0,0,0|1,0,1]=3 284 B7R0.6 O=C(O)CCN(=O)=O MCULE-1879231817 [1,0,0,0,0,0|2,0,0]=3 285 B7R0.6 O=C(O)COC(F)F MCULE-1418551422 [1,0,0,0,0,0|2,0,1]=4 286 B7R0.6 O=C(O)CSC(F)F MCULE-6609650116 [1,0,0,0,0,0|2,0,1]=4 287 B7R0.6 O=C(O)N=NC(=O)O MCULE-6858626658 [1,0,0,0,0,0|3,0,0]=4 288 B7R0.6 O=C([O-])C#CC(=O)O MCULE-8275918466 [1,0,0,0,0,0|1,0,2]=4 289 B7R0.6 O=C([O-])CCC(=O)O MCULE-9149947862 [1,0,0,0,0,0|1,0,0]=2 290 B7R0.6 O=C([O-])CCC(=O)[O-] MCULE-6304944077 [1,0,0,0,0,0|1,0,1]=3 291 B9R0.7 C=C(C)C(=O)NCC(=O)O MCULE-9965285150 [0,1,0,0,0,0|2,0,1]=4 292 B9R0.7 C=C(CCC(=O)O)C(=O)O MCULE-3502029665 [0,1,0,0,0,0|2,0,1]=4 293 B9R0.7 CC(=O)CNC(=O)C(C)Cl MCULE-4419592009 [0,1,0,0,0,0|2,1,0]=4 294 B9R0.7 CC(=O)COC(=O)C(C)Cl MCULE-1932001917 [0,1,0,0,0,0|2,1,0]=4 295 B9R0.7 CC(C)C(=O)CCC(=O)O MCULE-9072643820 [0,1,0,0,0,0|1,0,0]=2 296 B9R0.7 CC(C)C(=O)NCC(=O)O MCULE-8263786936 [0,1,0,0,0,0|2,0,0]=3 297 B9R0.7 CC(C)N(C)CCC(=O)O MCULE-1211739557 [0,1,0,0,0,0|3,0,0]=4 298 B9R0.7 CC(C)N(C)CCC(=O)O MCULE-7992959591 [0,1,0,0,0,0|3,0,0]=4 299 B9R0.7 CC(Cl)C(=O)NCC(=O)O MCULE-9908034208 [0,1,0,0,0,0|1,1,0]=3 300 B9R0.7 CC(N)C(=O)NCC(=O)N MCULE-4006646204 [0,1,0,0,0,0|3,0,0]=4 301 B9R0.7 CC(N)C(=O)NCC(=O)N MCULE-6349133598 [0,1,0,0,0,0|3,0,0]=4 302 B9R0.7 CC(N)C(=O)NCC(=O)N MCULE-7301508385 [0,1,0,0,0,0|3,0,0]=4 303 B9R0.7 CC(N)C(=O)NCC(=O)O MCULE-5334499783 [0,1,0,0,0,0|2,0,0]=3 304 B9R0.7 CC(S)C(=O)NCC(=O)O MCULE-8593628629 [0,1,0,0,0,0|2,0,0]=3 305 B9R0.7 CN(C)C(=O)CCC(=O)O MCULE-7236596707 [0,1,0,0,0,0|2,0,0]=3 306 B9R0.7 CN(C)C(=O)NCC(=O)O MCULE-9308369846 [0,1,0,0,0,0|3,0,0]=4 307 B9R0.7 C[C@@H](N)C(=O)NCC(=O)O MCULE-1572586456 [0,1,0,0,0,0|2,0,0]=3 308 B9R0.7 C[C@@H](N)C(=O)NCC(=O)O MCULE-2334963197 [0,1,0,0,0,0|2,0,0]=3 309 B9R0.7 C[C@@H](N)C(=O)NCC(=O)O MCULE-3041567092 [0,1,0,0,0,0|2,0,0]=3 310 B9R0.7 C[C@@H](N)C(=O)NCC(=O)O MCULE-5810433569 [0,1,0,0,0,0|2,0,0]=3 311 B9R0.7 C[C@H](N)C(=O)NCC(=O)N MCULE-4603378022 [0,1,0,0,0,0|3,0,0]=4 312 B9R0.7 C[C@H](N)C(=O)NCC(=O)N MCULE-6766283783 [0,1,0,0,0,0|3,0,0]=4 313 B9R0.7 C[C@H](N)C(=O)NCC(=O)N MCULE-9070332994 [0,1,0,0,0,0|3,0,0]=4 314 B9R0.7 C[C@H](N)C(=O)NCC(=O)N MCULE-9863378410 [0,1,0,0,0,0|3,0,0]=4 315 B9R0.7 C[C@H](N)C(=O)NCC(=O)O MCULE-1231323853 [0,1,0,0,0,0|2,0,0]=3 316 B9R0.7 C[C@H](N)C(=O)NCC(=O)O MCULE-6793382418 [0,1,0,0,0,0|2,0,0]=3 317 B9R0.7 C[C@H](S)C(=O)NCC(=O)O MCULE-3909668002 [0,1,0,0,0,0|2,0,0]=3 318 B9R0.7 N[C@@H](CCC(=O)O)C(O)O MCULE-4882070910 [0,1,0,0,0,0|2,0,1]=4 319 B9R0.7 O=C(O)CCC(=C(F)F)F MCULE-4570016016 [0,1,0,0,0,0|1,0,1]=3 320 B9R0.7 O=C(O)CCC(=O)C(=O)O MCULE-5148157449 [0,1,0,0,0,0|1,0,1]=3 321 B9R0.7 O=C(O)CCC(=O)C(=O)[O-] MCULE-3585102694 [0,1,0,0,0,0|1,0,1]=3 322 B9R0.7 O=C(O)CNC(=O)C(=O)O MCULE-6181171802 [0,1,0,0,0,0|2,0,1]=4 323 B9R0.7 O=C([O-])CCC(=O)C(=O)O MCULE-3931336643 [0,1,0,0,0,0|1,0,2]=4 324 B9R0.7 O=C([O-])CCC(=O)C(=O)[O-] MCULE-2857630880 [0,1,0,0,0,0|1,0,2]=4 325 B9R0.7 O=C([O-])CCC(=O)C(=O)[O-] MCULE-7607570800 [0,1,0,0,0,0|1,0,2]=4 326 B9R0.21 CS(=O)(=O)CCC(=O)CCl MCULE-9373484533 [0,1,0,0,0,0|1,1,1]=4 327 B9R0.21 O=C(CO)COP(=O)(O)O MCULE-3352535301 [0,1,0,0,0,0|3,0,0]=4 328 B9R0.23 C(N)(CC(=O)O)C(=O)OC MCULE-3786901582 [0,1,0,0,0,0|2,0,0]=3 329 B9R0.23 C=C(CC(=O)O)C(=O)OC MCULE-6964816559 [0,1,0,0,0,0|2,0,1]=4 330 B9R0.23 C=CC(=O)N(C)CC(=O)O MCULE-9771391783 [0,1,0,0,0,0|2,0,1]=4 331 B9R0.23 CCC(=O)N(C)CC(=O)O MCULE-1259899510 [0,1,0,0,0,0|2,0,0]=3 332 B9R0.23 CCC(C)C(N)CC(=O)O MCULE-4327977098 [0,1,0,0,0,0|2,0,1]=4 333 B9R0.23 CCC(C)C(N)CC(=O)O MCULE-9731178196 [0,1,0,0,0,0|2,0,1]=4 334 B9R0.23 CCN(C)C(C)CC(=O)O MCULE-8864839000 [0,1,0,0,0,0|3,0,0]=4 335 B9R0.23 CCN(C)C(C)CC(=O)O MCULE-9691138087 [0,1,0,0,0,0|3,0,0]=4 336 B9R0.23 CC[C@@H](C)[C@H](N)CC(=O)O MCULE-3497593262 [0,1,0,0,0,0|2,0,1]=4 337 B9R0.23 CC[C@@H](C)[C@H](N)CC(=O)O MCULE-4155901879 [0,1,0,0,0,0|2,0,1]=4 338 B9R0.23 CC[C@@H](C)[C@H](N)CC(=O)O MCULE-8221314475 [0,1,0,0,0,0|2,0,1]=4 339 B9R0.23 CC[C@@H](C)[C@H](N)CC(=O)O MCULE-9196761404 [0,1,0,0,0,0|2,0,1]=4 340 B9R0.23 CC[C@H](C)[C@@H](N)CC(=O)O MCULE-2430009158 [0,1,0,0,0,0|2,0,1]=4 341 B9R0.23 CC[C@H](C)[C@@H](N)CC(=O)O MCULE-9647386489 [0,1,0,0,0,0|2,0,1]=4 342 B9R0.23 CC[C@H](C)[C@H](N)CC(=O)O MCULE-2618743733 [0,1,0,0,0,0|2,0,1]=4 343 B9R0.23 CC[C@H](C)[C@H](N)CC(=O)O MCULE-5773439736 [0,1,0,0,0,0|2,0,1]=4 344 B9R0.23 CC[C@H](C)[C@H](N)CC(=O)O MCULE-6590436922 [0,1,0,0,0,0|2,0,1]=4 345 B9R0.23 CC[C@H](C)[C@H](N)CC(=O)O MCULE-9722049324 [0,1,0,0,0,0|2,0,1]=4 346 B9R0.23 CN(CC(=O)O)C(=O)CCl MCULE-5510442150 [0,1,0,0,0,0|1,1,0]=3 347 B9R0.23 CN(CC(=O)O)C(=O)CN MCULE-9356220331 [0,1,0,0,0,0|2,0,0]=3 348 B9R0.23 COC(=O)C(C)CC(=O)C MCULE-2131243248 [0,1,0,0,0,0|3,0,0]=4 349 B9R0.23 COC(=O)C(C)CC(=O)O MCULE-5268313344 [0,1,0,0,0,0|2,0,0]=3 350 B9R0.23 COC(=O)C(N)CC(=O)N MCULE-1752536252 [0,1,0,0,0,0|3,0,0]=4 351 B9R0.23 COC(=O)C(N)CC(=O)N MCULE-5054924778 [0,1,0,0,0,0|3,0,0]=4 352 B9R0.23 COC(=O)C(N)CC(=O)O MCULE-7519781259 [0,1,0,0,0,0|2,0,0]=3 353 B9R0.23 COC(=O)N(C)CC(=O)O MCULE-6066208018 [0,1,0,0,0,0|3,0,0]=4 354 B9R0.23 COC(=O)[C@@H](C)CC(=O)O MCULE-8145746541 [0,1,0,0,0,0|2,0,0]=3 355 B9R0.23 COC(=O)[C@@H](N)CC(=O)N MCULE-2903193624 [0,1,0,0,0,0|3,0,0]=4 356 B9R0.23 COC(=O)[C@@H](N)CC(=O)N MCULE-3686406545 [0,1,0,0,0,0|3,0,0]=4 357 B9R0.23 COC(=O)[C@@H](N)CC(=O)N MCULE-3726434187 [0,1,0,0,0,0|3,0,0]=4 358 B9R0.23 COC(=O)[C@@H](N)CC(=O)N MCULE-9719605200 [0,1,0,0,0,0|3,0,0]=4 359 B9R0.23 COC(=O)[C@@H](N)CC(=O)O MCULE-2094999701 [0,1,0,0,0,0|2,0,0]=3 360 B9R0.23 COC(=O)[C@@H](N)CC(=O)O MCULE-9407721038 [0,1,0,0,0,0|2,0,0]=3 361 B9R0.23 COC(=O)[C@@H](O)CC(=O)O MCULE-4149383309 [0,1,0,0,0,0|2,0,0]=3 362 B9R0.23 COC(=O)[C@@H](O)CC(=O)O MCULE-4834047702 [0,1,0,0,0,0|2,0,0]=3 363 B9R0.23 COC(=O)[C@H](N)CC(=O)N MCULE-3007207072 [0,1,0,0,0,0|3,0,0]=4 364 B9R0.23 COC(=O)[C@H](N)CC(=O)N MCULE-3103219361 [0,1,0,0,0,0|3,0,0]=4 365 B9R0.23 COC(=O)[C@H](N)CC(=O)N MCULE-6097450650 [0,1,0,0,0,0|3,0,0]=4 366 B9R0.23 COC(=O)[C@H](N)CC(=O)N MCULE-7427879831 [0,1,0,0,0,0|3,0,0]=4 367 B9R0.23 COC(=O)[C@H](N)CC(=O)O MCULE-1453787543 [0,1,0,0,0,0|2,0,0]=3 368 B9R0.23 COC(=O)[C@H](N)CC(=O)O MCULE-8348108837 [0,1,0,0,0,0|2,0,0]=3 369 B9R0.23 COC(=O)[C@H](N)CC(=O)O MCULE-8725707708 [0,1,0,0,0,0|2,0,0]=3 370 B9R0.23 COC(=O)[C@H](O)CC(=O)O MCULE-2124989741 [0,1,0,0,0,0|2,0,0]=3 371 B9R0.23 COC(=O)[C@H](O)CC(=O)O MCULE-9803650256 [0,1,0,0,0,0|2,0,0]=3 372 B9R0.23 O=C(O)CC(Br)C(=O)CBr MCULE-5319460867 [0,1,0,0,0,0|0,1,0]=2 373 B9R0.23 O=C(O)C[C@@H](O)[C@@H](O)CO MCULE-5394522095 [0,1,0,0,0,0|1,0,2]=4 374 B9R0.23 O=C(O)C[C@H](O)[C@H](O)CO MCULE-2704229472 [0,1,0,0,0,0|1,0,2]=4 375 B9R0.23 [C@H](N)(CC(=O)O)C(=O)OC MCULE-3013306674 [0,1,0,0,0,0|2,0,0]=3 376 B9R0.24 CCC(=O)CCC(=O)CC MCULE-8095896851 [0,1,0,0,0,0|2,0,0]=3 377 B9R0.24 CCC(=O)CCC(=O)OC MCULE-9090609782 [0,1,0,0,0,0|1,0,0]=2 378 B9R0.24 CCC(=O)CNC(=O)CCl MCULE-4773484203 [0,1,0,0,0,0|2,1,0]=4 379 B9R0.24 CCC(=O)NCC(=O)NN MCULE-8497711073 [0,1,0,0,0,0|3,0,0]=4 380 B9R0.24 CCC(N)CCC(=O)OC MCULE-8096200173 [0,1,0,0,0,0|2,0,1]=4 381 B9R0.24 CCC(N)CCC(=O)OC MCULE-9735533305 [0,1,0,0,0,0|2,0,1]=4 382 B9R0.24 CNC(=O)CCC(=O)NC MCULE-1963512948 [0,1,0,0,0,0|3,0,0]=4 383 B9R0.24 CNC(=O)CNC(=O)CN MCULE-6194044808 [0,1,0,0,0,0|3,0,0]=4 384 B9R0.24 COC(=O)CCC(=O)CBr MCULE-7044639446 [0,1,0,0,0,0|0,1,0]=2 385 B9R0.24 COC(=O)CCC(=O)CCl MCULE-4430497907 [0,1,0,0,0,0|0,1,0]=2 386 B9R0.24 COC(=O)CCC(=O)CN MCULE-7356254100 [0,1,0,0,0,0|1,0,0]=2 387 B9R0.24 COC(=O)CCC(=O)CN MCULE-8571939531 [0,1,0,0,0,0|1,0,0]=2 388 B9R0.24 COC(=O)CCC(=O)OC MCULE-1133524094 [0,1,0,0,0,0|2,0,0]=3 389 B9R0.24 COC(=O)CCS(=O)OC MCULE-1471943569 [0,1,0,0,0,0|3,0,0]=4 390 B9R0.24 COC(=O)CNC(=O)CCl MCULE-6457273538 [0,1,0,0,0,0|1,1,0]=3 391 B9R0.24 COC(=O)CNC(=O)CN MCULE-8016204677 [0,1,0,0,0,0|2,0,0]=3 392 B9R0.24 COC(=O)CNC(=O)CN MCULE-8572365948 [0,1,0,0,0,0|2,0,0]=3 393 B9R0.24 COC(=O)CNC(=O)OC MCULE-1305795476 [0,1,0,0,0,0|3,0,0]=4 394 B9R0.24 NNC(=O)CCC(=O)NN MCULE-8748988406 [0,1,0,0,0,0|3,0,0]=4 395 B9R0.42 C(N)(CC(=O)OC)C(=O)O MCULE-8015036052 [0,1,0,0,0,0|2,0,0]=3 396 B9R0.42 C=C(CC(=O)NC)C(=O)O MCULE-5432016245 [0,1,0,0,0,0|2,0,1]=4 397 B9R0.42 C=C(CC(=O)OC)C(=O)O MCULE-1728748664 [0,1,0,0,0,0|2,0,1]=4 398 B9R0.42 C=C(NC(=O)CCl)C(=O)O MCULE-5735536490 [0,1,0,0,0,0|1,1,1]=4 399 B9R0.42 C=C(NC(=O)CN)C(=O)O MCULE-8924892837 [0,1,0,0,0,0|2,0,1]=4 400 B9R0.42 C=CC(=O)NC(O)C(=O)O MCULE-6399920412 [0,1,0,0,0,0|2,0,1]=4 401 B9R0.42 CC(CO)CC(N)C(=O)O MCULE-1659842949 [0,1,0,0,0,0|2,0,1]=4 402 B9R0.42 CC(NC(=O)CCl)C(=O)O MCULE-6899086052 [0,1,0,0,0,0|1,1,0]=3 403 B9R0.42 CC(NC(=O)CN)C(=O)N MCULE-2418100977 [0,1,0,0,0,0|3,0,0]=4 404 B9R0.42 CC(NC(=O)CN)C(=O)N MCULE-5562877537 [0,1,0,0,0,0|3,0,0]=4 405 B9R0.42 CC(NC(=O)CN)C(=O)O MCULE-2027405418 [0,1,0,0,0,0|2,0,0]=3 406 B9R0.42 CCC(=O)CC(N)C(=O)O MCULE-7167843152 [0,1,0,0,0,0|1,0,0]=2 407 B9R0.42 CCC(=O)CC(N)C(=O)O MCULE-9225518491 [0,1,0,0,0,0|1,0,0]=2 408 B9R0.42 CCC(=O)NC(C)C(=O)O MCULE-5488194337 [0,1,0,0,0,0|2,0,0]=3 409 B9R0.42 CCC(=O)N[C@@H](C)C(=O)O MCULE-5552061501 [0,1,0,0,0,0|2,0,0]=3 410 B9R0.42 CCC(C)CC(C)C(=O)O MCULE-6856405301 [0,1,0,0,0,0|2,0,1]=4 411 B9R0.42 CCC(C)CC(N)C(=O)O MCULE-1321158720 [0,1,0,0,0,0|2,0,1]=4 412 B9R0.42 CCC(C)CC(N)C(=O)O MCULE-9833457318 [0,1,0,0,0,0|2,0,1]=4 413 B9R0.42 CCN(C)CC(C)C(=O)O MCULE-6094320295 [0,1,0,0,0,0|3,0,0]=4 414 B9R0.42 CCN(C)CC(C)C(=O)O MCULE-8043640135 [0,1,0,0,0,0|3,0,0]=4 415 B9R0.42 CNC(=O)CC(N)C(=O)O MCULE-1910017583 [0,1,0,0,0,0|2,0,0]=3 416 B9R0.42 CNC(=O)CC(N)C(=O)O MCULE-2273353640 [0,1,0,0,0,0|2,0,0]=3 417 B9R0.42 CNC(=O)C[C@@H](N)C(=O)O MCULE-6316771422 [0,1,0,0,0,0|2,0,0]=3 418 B9R0.42 CNC(=O)C[C@@H](N)C(=O)O MCULE-8833942582 [0,1,0,0,0,0|2,0,0]=3 419 B9R0.42 CNC(=O)C[C@H](N)C(=O)O MCULE-7953918935 [0,1,0,0,0,0|2,0,0]=3 420 B9R0.42 CNC(=O)C[C@H](N)C(=O)O MCULE-9595811834 [0,1,0,0,0,0|2,0,0]=3 421 B9R0.42 COC(=O)CC(=O)C(=O)O MCULE-5008305161 [0,1,0,0,0,0|2,0,1]=4 422 B9R0.42 COC(=O)CC(Br)C(=O)C MCULE-7344095898 [0,1,0,0,0,0|3,0,0]=4 423 B9R0.42 COC(=O)CC(C)C(=O)O MCULE-5595331018 [0,1,0,0,0,0|2,0,0]=3 424 B9R0.42 COC(=O)CC(C)C(=O)O MCULE-9262719853 [0,1,0,0,0,0|2,0,0]=3 425 B9R0.42 COC(=O)CC(N)C(=O)O MCULE-1915038693 [0,1,0,0,0,0|2,0,0]=3 426 B9R0.42 COC(=O)CC(N)C(=O)O MCULE-4452484594 [0,1,0,0,0,0|2,0,0]=3 427 B9R0.42 COC(=O)CC(N)C(=O)O MCULE-8573910427 [0,1,0,0,0,0|2,0,0]=3 428 B9R0.42 COC(=O)CC(O)C(=O)O MCULE-7105554854 [0,1,0,0,0,0|2,0,0]=3 429 B9R0.42 COC(=O)C[C@@H](C)C(=O)Cl MCULE-7326666072 [0,1,0,0,0,0|3,0,0]=4 430 B9R0.42 COC(=O)C[C@@H](C)C(=O)O MCULE-4861767896 [0,1,0,0,0,0|2,0,0]=3 431 B9R0.42 COC(=O)C[C@@H](C)C(=O)O MCULE-6107558545 [0,1,0,0,0,0|2,0,0]=3 432 B9R0.42 COC(=O)C[C@@H](N)C(=O)O MCULE-2364792775 [0,1,0,0,0,0|2,0,0]=3 433 B9R0.42 COC(=O)C[C@@H](N)C(=O)O MCULE-3240459376 [0,1,0,0,0,0|2,0,0]=3 434 B9R0.42 COC(=O)C[C@@H](N)C(=O)O MCULE-5997294610 [0,1,0,0,0,0|2,0,0]=3 435 B9R0.42 COC(=O)C[C@@H](N)C(=O)O MCULE-6955235147 [0,1,0,0,0,0|2,0,0]=3 436 B9R0.42 COC(=O)C[C@@H](O)C(=O)O MCULE-8916007864 [0,1,0,0,0,0|2,0,0]=3 437 B9R0.42 COC(=O)C[C@H](C)C(=O)O MCULE-1205037322 [0,1,0,0,0,0|2,0,0]=3 438 B9R0.42 COC(=O)C[C@H](C)C(=O)O MCULE-7536209773 [0,1,0,0,0,0|2,0,0]=3 439 B9R0.42 COC(=O)C[C@H](N)C(=O)O MCULE-3838383924 [0,1,0,0,0,0|2,0,0]=3 440 B9R0.42 COC(=O)C[C@H](N)C(=O)O MCULE-4621655906 [0,1,0,0,0,0|2,0,0]=3 441 B9R0.42 COC(=O)C[C@H](N)C(=O)O MCULE-5113413935 [0,1,0,0,0,0|2,0,0]=3 442 B9R0.42 COC(=O)C[C@H](N)C(=O)O MCULE-9857677224 [0,1,0,0,0,0|2,0,0]=3 443 B9R0.42 COC(=O)C[C@H](O)C(=O)O MCULE-9897810817 [0,1,0,0,0,0|2,0,0]=3 444 B9R0.42 COC(=O)NC(C)C(=O)O MCULE-9255316794 [0,1,0,0,0,0|3,0,0]=4 445 B9R0.42 COC(=O)N[C@@H](C)C(=O)O MCULE-3970003504 [0,1,0,0,0,0|3,0,0]=4 446 B9R0.42 COC(=O)N[C@@H](C)C(=O)O MCULE-7941497211 [0,1,0,0,0,0|3,0,0]=4 447 B9R0.42 C[C@H](NC(=O)CBr)C(=O)O MCULE-2038149065 [0,1,0,0,0,0|1,1,0]=3 448 B9R0.42 C[C@H](NC(=O)CCl)C(=O)O MCULE-3478867157 [0,1,0,0,0,0|1,1,0]=3 449 B9R0.42 C[C@H](NC(=O)CCl)C(=O)O MCULE-8272505742 [0,1,0,0,0,0|1,1,0]=3 450 B9R0.42 C[C@H](NC(=O)CN)C(=O)N MCULE-1477107832 [0,1,0,0,0,0|3,0,0]=4 451 B9R0.42 C[C@H](NC(=O)CN)C(=O)N MCULE-7070402577 [0,1,0,0,0,0|3,0,0]=4 452 B9R0.42 C[C@H](NC(=O)CN)C(=O)O MCULE-2496637228 [0,1,0,0,0,0|2,0,0]=3 453 B9R0.42 NCC(=O)CC(N)C(=O)O MCULE-5617919538 [0,1,0,0,0,0|1,0,0]=2 454 B9R0.42 NCC(=O)CC(N)C(=O)O MCULE-5853178152 [0,1,0,0,0,0|1,0,0]=2 455 B9R0.42 N[C@@H](CC(=O)NO)C(=O)O MCULE-2694436901 [0,1,0,0,0,0|2,0,0]=3 456 B9R0.42 [C@@H](C)(NC(=O)CN)C(=O)O MCULE-7578084271 [0,1,0,0,0,0|2,0,0]=3 457 B9R0.43 CCC(CC)CCC(=O)O MCULE-3619246107 [0,1,0,0,0,0|2,0,1]=4 458 B9R0.43 CCN(CC)CCC(=O)O MCULE-3198217857 [0,1,0,0,0,0|3,0,0]=4 459 B9R0.43 CCN(CC)CCC(=O)O MCULE-7749215074 [0,1,0,0,0,0|3,0,0]=4 460 B9R0.48 C=C(C)CCC(=O)OCC MCULE-1518145690 [0,1,0,0,0,0|3,0,0]=4 461 B9R0.48 CC=CC(=O)NCC(=O)O MCULE-3127874630 [0,1,0,0,0,0|2,0,1]=4 462 B9R0.48 CCCC(=O)CCC(=O)C MCULE-2562578971 [0,1,0,0,0,0|2,0,0]=3 463 B9R0.48 CCCC(=O)CCC(=O)O MCULE-4809633073 [0,1,0,0,0,0|1,0,0]=2 464 B9R0.48 CCCC(=O)NCC(=O)N MCULE-4903049688 [0,1,0,0,0,0|3,0,0]=4 465 B9R0.48 CCCC(=O)NCC(=O)O MCULE-1331310812 [0,1,0,0,0,0|2,0,0]=3 466 B9R0.48 CCCC(C)CCC(=O)O MCULE-2307170636 [0,1,0,0,0,0|2,0,1]=4 467 B9R0.48 CCCC(N)CCC(=O)O MCULE-2596842997 [0,1,0,0,0,0|2,0,1]=4 468 B9R0.48 CCCC(N)CCC(=O)O MCULE-4723059719 [0,1,0,0,0,0|2,0,1]=4 469 B9R0.48 CCCN(C)CCC(=O)O MCULE-4436694860 [0,1,0,0,0,0|3,0,0]=4 470 B9R0.48 CCCN(C)CCC(=O)O MCULE-5636730093 [0,1,0,0,0,0|3,0,0]=4 471 B9R0.48 CCNC(=O)C=CC(=O)O MCULE-3469131343 [0,1,0,0,0,0|1,0,2]=4 472 B9R0.48 CCNC(=O)CCC(=O)O MCULE-1979773964 [0,1,0,0,0,0|1,0,0]=2 473 B9R0.48 CCNC(=S)NCC(=O)O MCULE-3996581742 [0,1,0,0,0,0|2,1,0]=4 474 B9R0.48 CCOC(=O)/C=C/C(=O)O MCULE-2354207944 [0,1,0,0,0,0|1,0,2]=4 475 B9R0.48 CCOC(=O)/C=C\C(=O)O MCULE-9139116808 [0,1,0,0,0,0|1,0,2]=4 476 B9R0.48 CCOC(=O)C=CC(=O)O MCULE-7475947730 [0,1,0,0,0,0|1,0,2]=4 477 B9R0.48 CCOC(=O)CCC(=N)N MCULE-2941069504 [0,1,0,0,0,0|3,0,0]=4 478 B9R0.48 CCOC(=O)CCC(=O)C MCULE-1970388037 [0,1,0,0,0,0|2,0,0]=3 479 B9R0.48 CCOC(=O)CCC(=O)Cl MCULE-6113832364 [0,1,0,0,0,0|2,0,0]=3 480 B9R0.48 CCOC(=O)CCC(=O)N MCULE-4243878001 [0,1,0,0,0,0|2,0,0]=3 481 B9R0.48 CCOC(=O)CCC(=O)O MCULE-4329005000 [0,1,0,0,0,0|1,0,0]=2 482 B9R0.48 CCOC(=O)CCN(=O)=O MCULE-9024039721 [0,1,0,0,0,0|2,0,1]=4 483 B9R0.48 CCOC(=O)CNC(=O)C MCULE-3012556062 [0,1,0,0,0,0|3,0,0]=4 484 B9R0.48 CCOC(=O)CNC(=O)N MCULE-5545074396 [0,1,0,0,0,0|3,0,0]=4 485 B9R0.48 CCOC(=O)COC(=O)C MCULE-1796111350 [0,1,0,0,0,0|3,0,0]=4 486 B9R0.48 CCOC(=O)NCC(=O)O MCULE-6050328577 [0,1,0,0,0,0|2,0,0]=3 487 B9R0.48 CCOC(=S)SCC(=O)O MCULE-8546838454 [0,1,0,0,0,0|2,1,0]=4 488 B9R0.48 CN(CCO)CCC(=O)O MCULE-1755715725 [0,1,0,0,0,0|3,0,0]=4 489 B9R0.48 COCC(=O)NCC(=O)O MCULE-2679622476 [0,1,0,0,0,0|2,0,0]=3 490 B9R0.48 N#C/C=C(\N)/CCC(=O)O MCULE-9325480359 [0,1,0,0,0,0|2,0,1]=4 491 B9R0.48 N#CCC(=O)CCC(=O)O MCULE-9068617053 [0,1,0,0,0,0|1,0,0]=2 492 B9R0.48 NCCC(=O)NCC(=O)O MCULE-4396558835 [0,1,0,0,0,0|2,0,0]=3 493 B9R0.48 NCCC(=O)NCC(=O)O MCULE-9256160395 [0,1,0,0,0,0|2,0,0]=3 494 B9R0.64 CCS(=O)(=O)CCC(=O)O MCULE-6074163165 [0,1,0,0,0,0|2,0,0]=3 495 B9R0.64 CCS(=O)(=O)NCC(=O)O MCULE-6269745813 [0,1,0,0,0,0|3,0,0]=4 496 B9R0.64 CNS(=O)(=O)CCC(=O)O MCULE-4872511761 [0,1,0,0,0,0|3,0,0]=4 497 B9R0.64 NCP(=O)(O)CCC(=O)O MCULE-8895842344 [0,1,0,0,0,0|2,0,0]=3 498 B9R1.1 O=C1CCC(CC1)CF MCULE-2139942920 [0,0,0,1,0,0|2,0,1]=4 499 B9R1.10 CC1(CCC(=O)CC1)O MCULE-2229659445 [0,0,0,1,0,0|2,0,1]=4 500 B9R1.10 O=C1CCS(=O)(=O)CC1 MCULE-5397121534 [0,0,0,1,0,0|2,0,1]=4 501 B9R1.35 C1(CCC(=O)C1)C(=O)O MCULE-7485965564 [0,0,0,1,0,0|1,0,0]=2 502 B9R1.35 C1(CCC(=O)O1)C(=O)O MCULE-6663255579 [0,0,0,1,0,0|2,0,0]=3 503 B9R1.35 C1(CCN(C1)C)C(=O)O MCULE-6561840637 [0,0,0,1,0,0|3,0,0]=4 504 B9R1.35 C1(CCN(C1)C)C(=O)O MCULE-7766846765 [0,0,0,1,0,0|3,0,0]=4 505 B9R1.35 C=C1CCC(C1)C(=O)O MCULE-7982355069 [0,0,0,1,0,0|2,0,0]=3 506 B9R1.35 CC(=O)C1CCC(=O)O1 MCULE-5049805875 [0,0,0,1,0,0|3,0,0]=4 507 B9R1.35 CC(=O)C1COC(=O)C1 MCULE-4262262510 [0,0,0,1,0,0|3,0,0]=4 508 B9R1.35 CC(=O)N1CCC(=O)C1 MCULE-3924044267 [0,0,0,1,0,0|3,0,0]=4 509 B9R1.35 CC1=CC(SC1)C(=O)O MCULE-1599288333 [0,0,0,1,0,0|2,0,1]=4 510 B9R1.35 CC1=NC(CC1)C(=O)O MCULE-1278773172 [0,0,0,1,0,0|3,0,0]=4 511 B9R1.35 CC1=NC(CC1)C(=O)O MCULE-5768248357 [0,0,0,1,0,0|3,0,0]=4 512 B9R1.35 CC1=NOC(C1)C(=O)O MCULE-4730152545 [0,0,0,1,0,0|3,0,0]=4 513 B9R1.35 CC1=NO[C@@H](C1)C(=O)O MCULE-4081165004 [0,0,0,1,0,0|3,0,0]=4 514 B9R1.35 CC1CCC(C1)C(=O)O MCULE-5009837194 [0,0,0,1,0,0|2,0,1]=4 515 B9R1.35 CC1CNC(C1)C(=O)O MCULE-5999128275 [0,0,0,1,0,0|2,0,1]=4 516 B9R1.35 CC1CNC(C1)C(=O)O MCULE-9035040660 [0,0,0,1,0,0|2,0,1]=4 517 B9R1.35 CC1COC(C1)C(=O)O MCULE-4317519603 [0,0,0,1,0,0|2,0,1]=4 518 B9R1.35 CN1CCC(C1)C(=O)O MCULE-5724245212 [0,0,0,1,0,0|3,0,0]=4 519 B9R1.35 CN1CCC(C1)C(=O)O MCULE-6263233064 [0,0,0,1,0,0|3,0,0]=4 520 B9R1.35 CN1CC[C@@H](C1)C(=O)O MCULE-1382244459 [0,0,0,1,0,0|3,0,0]=4 521 B9R1.35 CN1CC[C@@H](C1)C(=O)O MCULE-1492032594 [0,0,0,1,0,0|3,0,0]=4 522 B9R1.35 CN1CC[C@H](C1)C(=O)O MCULE-1080921095 [0,0,0,1,0,0|3,0,0]=4 523 B9R1.35 CN1CC[C@H](C1)C(=O)O MCULE-5145674459 [0,0,0,1,0,0|3,0,0]=4 524 B9R1.35 CN1CC[C@H](C1)C(=O)O MCULE-5820812779 [0,0,0,1,0,0|3,0,0]=4 525 B9R1.35 CN1CC[C@H](C1)C(=O)O MCULE-7587726735 [0,0,0,1,0,0|3,0,0]=4 526 B9R1.35 C[C@@H]1CN[C@@H](C1)C(=O)O MCULE-1541572989 [0,0,0,1,0,0|2,0,1]=4 527 B9R1.35 C[C@@H]1CN[C@@H](C1)C(=O)O MCULE-1821254522 [0,0,0,1,0,0|2,0,1]=4 528 B9R1.35 C[C@@H]1CN[C@@H](C1)C(=O)O MCULE-7426280517 [0,0,0,1,0,0|2,0,1]=4 529 B9R1.35 C[C@@H]1CN[C@@H](C1)C(=O)O MCULE-8599307960 [0,0,0,1,0,0|2,0,1]=4 530 B9R1.35 C[C@H]1CN[C@@H](C1)C(=O)O MCULE-2036600768 [0,0,0,1,0,0|2,0,1]=4 531 B9R1.35 C[C@H]1CN[C@@H](C1)C(=O)O MCULE-4646350445 [0,0,0,1,0,0|2,0,1]=4 532 B9R1.35 C[C@H]1CN[C@H](C1)C(=O)O MCULE-2974063836 [0,0,0,1,0,0|2,0,1]=4 533 B9R1.35 C[C@H]1CN[C@H](C1)C(=O)O MCULE-7564386283 [0,0,0,1,0,0|2,0,1]=4 534 B9R1.35 NC(=O)C1CCC(=O)N1 MCULE-1717146839 [0,0,0,1,0,0|3,0,0]=4 535 B9R1.35 NC(=O)C1CNC(=O)C1 MCULE-2954653092 [0,0,0,1,0,0|3,0,0]=4 536 B9R1.35 NC(=O)[C@@H]1CCC(=O)N1 MCULE-5928054942 [0,0,0,1,0,0|3,0,0]=4 537 B9R1.35 NC(=O)[C@@H]1CCC(=O)N1 MCULE-8978218986 [0,0,0,1,0,0|3,0,0]=4 538 B9R1.35 NC1CCC(C1)C(=O)O MCULE-1740452568 [0,0,0,1,0,0|2,0,1]=4 539 B9R1.35 NC1CCC(C1)C(=O)O MCULE-4067702279 [0,0,0,1,0,0|2,0,1]=4 540 B9R1.35 NC1CNC(C1)C(=O)O MCULE-1416144501 [0,0,0,1,0,0|2,0,1]=4 541 B9R1.35 NC1CNC(C1)C(=O)O MCULE-4706388278 [0,0,0,1,0,0|2,0,1]=4 542 B9R1.35 N[C@@H]1CC[C@@H](C1)C(=O)O MCULE-1729778339 [0,0,0,1,0,0|2,0,1]=4 543 B9R1.35 N[C@@H]1CC[C@@H](C1)C(=O)O MCULE-2964730214 [0,0,0,1,0,0|2,0,1]=4 544 B9R1.35 N[C@@H]1CC[C@@H](C1)C(=O)O MCULE-6758665117 [0,0,0,1,0,0|2,0,1]=4 545 B9R1.35 N[C@@H]1CC[C@@H](C1)C(=O)O MCULE-8002401712 [0,0,0,1,0,0|2,0,1]=4 546 B9R1.35 N[C@@H]1CC[C@H](C1)C(=O)O MCULE-1941635524 [0,0,0,1,0,0|2,0,1]=4 547 B9R1.35 N[C@@H]1CC[C@H](C1)C(=O)O MCULE-3306995596 [0,0,0,1,0,0|2,0,1]=4 548 B9R1.35 N[C@@H]1CC[C@H](C1)C(=O)O MCULE-5728201062 [0,0,0,1,0,0|2,0,1]=4 549 B9R1.35 N[C@@H]1CC[C@H](C1)C(=O)O MCULE-8515718052 [0,0,0,1,0,0|2,0,1]=4 550 B9R1.35 N[C@@H]1CN[C@@H](C1)C(=O)O MCULE-4990800122 [0,0,0,1,0,0|2,0,1]=4 551 B9R1.35 N[C@@H]1CN[C@@H](C1)C(=O)O MCULE-5172267597 [0,0,0,1,0,0|2,0,1]=4 552 B9R1.35 N[C@@H]1CN[C@@H](C1)C(=O)O MCULE-7010431429 [0,0,0,1,0,0|2,0,1]=4 553 B9R1.35 N[C@@H]1CN[C@@H](C1)C(=O)O MCULE-8754522437 [0,0,0,1,0,0|2,0,1]=4 554 B9R1.35 N[C@@H]1CN[C@H](C1)C(=O)O MCULE-4906071490 [0,0,0,1,0,0|2,0,1]=4 555 B9R1.35 N[C@@H]1CN[C@H](C1)C(=O)O MCULE-7656739611 [0,0,0,1,0,0|2,0,1]=4 556 B9R1.35 N[C@@H]1CN[C@H](C1)C(=O)O MCULE-8732136397 [0,0,0,1,0,0|2,0,1]=4 557 B9R1.35 N[C@@H]1CN[C@H](C1)C(=O)O MCULE-9871023526 [0,0,0,1,0,0|2,0,1]=4 558 B9R1.35 N[C@H]1CC[C@@H](C1)C(=O)O MCULE-3382663689 [0,0,0,1,0,0|2,0,1]=4 559 B9R1.35 N[C@H]1CC[C@@H](C1)C(=O)O MCULE-7889100863 [0,0,0,1,0,0|2,0,1]=4 560 B9R1.35 N[C@H]1CC[C@@H](C1)C(=O)O MCULE-9213747671 [0,0,0,1,0,0|2,0,1]=4 561 B9R1.35 N[C@H]1CC[C@@H](C1)C(=O)O MCULE-9781594017 [0,0,0,1,0,0|2,0,1]=4 562 B9R1.35 N[C@H]1CC[C@H](C1)C(=O)O MCULE-1569946940 [0,0,0,1,0,0|2,0,1]=4 563 B9R1.35 N[C@H]1CC[C@H](C1)C(=O)O MCULE-1675680486 [0,0,0,1,0,0|2,0,1]=4 564 B9R1.35 N[C@H]1CC[C@H](C1)C(=O)O MCULE-1903292573 [0,0,0,1,0,0|2,0,1]=4 565 B9R1.35 N[C@H]1CC[C@H](C1)C(=O)O MCULE-6695566760 [0,0,0,1,0,0|2,0,1]=4 566 B9R1.35 N[C@H]1CC[C@H](C1)C(=O)O MCULE-6999679319 [0,0,0,1,0,0|2,0,1]=4 567 B9R1.35 N[C@H]1CC[C@H](C1)C(=O)O MCULE-8009804408 [0,0,0,1,0,0|2,0,1]=4 568 B9R1.35 N[C@H]1CN[C@@H](C1)C(=O)O MCULE-1698400731 [0,0,0,1,0,0|2,0,1]=4 569 B9R1.35 N[C@H]1CN[C@@H](C1)C(=O)O MCULE-1983861108 [0,0,0,1,0,0|2,0,1]=4 570 B9R1.35 N[C@H]1CN[C@@H](C1)C(=O)O MCULE-2838978471 [0,0,0,1,0,0|2,0,1]=4 571 B9R1.35 N[C@H]1CN[C@@H](C1)C(=O)O MCULE-5103662767 [0,0,0,1,0,0|2,0,1]=4 572 B9R1.35 N[C@H]1CN[C@@H](C1)C(=O)O MCULE-5299594489 [0,0,0,1,0,0|2,0,1]=4 573 B9R1.35 N[C@H]1CN[C@@H](C1)C(=O)O MCULE-6235136925 [0,0,0,1,0,0|2,0,1]=4 574 B9R1.35 N[C@H]1CN[C@@H](C1)C(=O)O MCULE-8629641721 [0,0,0,1,0,0|2,0,1]=4 575 B9R1.35 N[C@H]1CN[C@H](C1)C(=O)O MCULE-2973551231 [0,0,0,1,0,0|2,0,1]=4 576 B9R1.35 N[C@H]1CN[C@H](C1)C(=O)O MCULE-3190600485 [0,0,0,1,0,0|2,0,1]=4 577 B9R1.35 O=C(O)C1CC(=NO1)Br MCULE-8217813426 [0,0,0,1,0,0|3,0,0]=4 578 B9R1.35 O=C(O)C1CC(CN1)Br MCULE-3420644560 [0,0,0,1,0,0|2,0,1]=4 579 B9R1.35 O=C(O)C1CC(CN1)F MCULE-1909829604 [0,0,0,1,0,0|2,0,1]=4 580 B9R1.35 O=C(O)C1CC(CN1)F MCULE-4908563055 [0,0,0,1,0,0|2,0,1]=4 581 B9R1.35 O=C(O)C1CC(CN1)O MCULE-3129945874 [0,0,0,1,0,0|1,0,2]=4 582 B9R1.35 O=C(O)C1CC(CN1)O MCULE-5090896550 [0,0,0,1,0,0|1,0,2]=4 583 B9R1.35 O=C(O)C1CC(CN1)S MCULE-3928449068 [0,0,0,1,0,0|1,1,1]=4 584 B9R1.35 O=C(O)C1CC(CN1)S MCULE-7523385510 [0,0,0,1,0,0|1,1,1]=4 585 B9R1.35 O=C(O)C1CCC(C1)Br MCULE-3893521468 [0,0,0,1,0,0|2,0,1]=4 586 B9R1.35 O=C(O)C1CCC(C1)F MCULE-5981771251 [0,0,0,1,0,0|2,0,1]=4 587 B9R1.35 O=C(O)C1CCC(C1)O MCULE-3301759971 [0,0,0,1,0,0|1,0,2]=4 588 B9R1.35 O=C(O)[C@@H]1CC(CN1)O MCULE-9602889253 [0,0,0,1,0,0|1,0,2]=4 589 B9R1.35 O=C(O)[C@@H]1CC(CN1)S MCULE-6078892837 [0,0,0,1,0,0|1,1,1]=4 590 B9R1.35 O=C(O)[C@@H]1CC(CN1)S MCULE-6607761456 [0,0,0,1,0,0|1,1,1]=4 591 B9R1.35 O=C(O)[C@@H]1CC[C@@H](C1)O MCULE-2017780821 [0,0,0,1,0,0|1,0,2]=4 592 B9R1.35 O=C(O)[C@@H]1CC[C@@H](C1)O MCULE-8789755356 [0,0,0,1,0,0|1,0,2]=4 593 B9R1.35 O=C(O)[C@@H]1CC[C@H](C1)O MCULE-6133795580 [0,0,0,1,0,0|1,0,2]=4 594 B9R1.35 O=C(O)[C@@H]1C[C@@H](CN1)Br MCULE-2600938020 [0,0,0,1,0,0|2,0,1]=4 595 B9R1.35 O=C(O)[C@@H]1C[C@@H](CN1)Br MCULE-3945615781 [0,0,0,1,0,0|2,0,1]=4 596 B9R1.35 O=C(O)[C@@H]1C[C@@H](CN1)F MCULE-2626475344 [0,0,0,1,0,0|2,0,1]=4 597 B9R1.35 O=C(O)[C@@H]1C[C@@H](CN1)F MCULE-4367319835 [0,0,0,1,0,0|2,0,1]=4 598 B9R1.35 O=C(O)[C@@H]1C[C@@H](CN1)F MCULE-9011373659 [0,0,0,1,0,0|2,0,1]=4 599 B9R1.35 O=C(O)[C@@H]1C[C@@H](CN1)F MCULE-9484602400 [0,0,0,1,0,0|2,0,1]=4 600 B9R1.35 O=C(O)[C@@H]1C[C@@H](CN1)O MCULE-2778155463 [0,0,0,1,0,0|1,0,2]=4 601 B9R1.35 O=C(O)[C@@H]1C[C@@H](CN1)O MCULE-3005368457 [0,0,0,1,0,0|1,0,2]=4 602 B9R1.35 O=C(O)[C@@H]1C[C@@H](CN1)O MCULE-3510440810 [0,0,0,1,0,0|1,0,2]=4 603 B9R1.35 O=C(O)[C@@H]1C[C@@H](CN1)O MCULE-6982589556 [0,0,0,1,0,0|1,0,2]=4 604 B9R1.35 O=C(O)[C@@H]1C[C@@H](CN1)O MCULE-8797295826 [0,0,0,1,0,0|1,0,2]=4 605 B9R1.35 O=C(O)[C@@H]1C[C@@H](CN1)S MCULE-5195240463 [0,0,0,1,0,0|1,1,1]=4 606 B9R1.35 O=C(O)[C@@H]1C[C@@H](CN1)S MCULE-6442187313 [0,0,0,1,0,0|1,1,1]=4 607 B9R1.35 O=C(O)[C@@H]1C[C@@H](CN1)S MCULE-6472004515 [0,0,0,1,0,0|1,1,1]=4 608 B9R1.35 O=C(O)[C@@H]1C[C@@H](CN1)S MCULE-8668690351 [0,0,0,1,0,0|1,1,1]=4 609 B9R1.35 O=C(O)[C@@H]1C[C@H](CN1)F MCULE-2784186920 [0,0,0,1,0,0|2,0,1]=4 610 B9R1.35 O=C(O)[C@@H]1C[C@H](CN1)F MCULE-5745425542 [0,0,0,1,0,0|2,0,1]=4 611 B9R1.35 O=C(O)[C@@H]1C[C@H](CN1)F MCULE-9253930917 [0,0,0,1,0,0|2,0,1]=4 612 B9R1.35 O=C(O)[C@@H]1C[C@H](CN1)F MCULE-9892414269 [0,0,0,1,0,0|2,0,1]=4 613 B9R1.35 O=C(O)[C@@H]1C[C@H](CN1)O MCULE-4157512603 [0,0,0,1,0,0|1,0,2]=4 614 B9R1.35 O=C(O)[C@@H]1C[C@H](CN1)O MCULE-5389747201 [0,0,0,1,0,0|1,0,2]=4 615 B9R1.35 O=C(O)[C@@H]1C[C@H](CN1)O MCULE-6465399562 [0,0,0,1,0,0|1,0,2]=4 616 B9R1.35 O=C(O)[C@@H]1C[C@H](CN1)O MCULE-7830616263 [0,0,0,1,0,0|1,0,2]=4 617 B9R1.35 O=C(O)[C@@H]1C[C@H](CN1)S MCULE-1140594774 [0,0,0,1,0,0|1,1,1]=4 618 B9R1.35 O=C(O)[C@@H]1C[C@H](CN1)S MCULE-2383846785 [0,0,0,1,0,0|1,1,1]=4 619 B9R1.35 O=C(O)[C@@H]1C[C@H](CN1)S MCULE-2747224270 [0,0,0,1,0,0|1,1,1]=4 620 B9R1.35 O=C(O)[C@@H]1C[C@H](CN1)S MCULE-5598470577 [0,0,0,1,0,0|1,1,1]=4 621 B9R1.35 O=C(O)[C@@H]1C[C@H](CN1)S MCULE-7268471922 [0,0,0,1,0,0|1,1,1]=4 622 B9R1.35 O=C(O)[C@@H]1C[C@H](CN1)S MCULE-9896850390 [0,0,0,1,0,0|1,1,1]=4 623 B9R1.35 O=C(O)[C@H]1CC[C@@H](C1)O MCULE-3061487094 [0,0,0,1,0,0|1,0,2]=4 624 B9R1.35 O=C(O)[C@H]1CC[C@@H](C1)O MCULE-8079944181 [0,0,0,1,0,0|1,0,2]=4 625 B9R1.35 O=C(O)[C@H]1CC[C@H](C1)O MCULE-2713143734 [0,0,0,1,0,0|1,0,2]=4 626 B9R1.35 O=C(O)[C@H]1C[C@@H](CN1)F MCULE-1499004749 [0,0,0,1,0,0|2,0,1]=4 627 B9R1.35 O=C(O)[C@H]1C[C@@H](CN1)F MCULE-4961028667 [0,0,0,1,0,0|2,0,1]=4 628 B9R1.35 O=C(O)[C@H]1C[C@@H](CN1)F MCULE-9323854334 [0,0,0,1,0,0|2,0,1]=4 629 B9R1.35 O=C(O)[C@H]1C[C@@H](CN1)O MCULE-1222229718 [0,0,0,1,0,0|1,0,2]=4 630 B9R1.35 O=C(O)[C@H]1C[C@@H](CN1)O MCULE-1998693022 [0,0,0,1,0,0|1,0,2]=4 631 B9R1.35 O=C(O)[C@H]1C[C@@H](CN1)O MCULE-3836053642 [0,0,0,1,0,0|1,0,2]=4 632 B9R1.35 O=C(O)[C@H]1C[C@@H](CN1)O MCULE-4545441904 [0,0,0,1,0,0|1,0,2]=4 633 B9R1.35 O=C(O)[C@H]1C[C@@H](CN1)O MCULE-8358409700 [0,0,0,1,0,0|1,0,2]=4 634 B9R1.35 O=C(O)[C@H]1C[C@H](CN1)F MCULE-1326882154 [0,0,0,1,0,0|2,0,1]=4 635 B9R1.35 O=C(O)[C@H]1C[C@H](CN1)F MCULE-4409765623 [0,0,0,1,0,0|2,0,1]=4 636 B9R1.35 O=C(O)[C@H]1C[C@H](CN1)F MCULE-5169579313 [0,0,0,1,0,0|2,0,1]=4 637 B9R1.35 O=C(O)[C@H]1C[C@H](CN1)F MCULE-8834390438 [0,0,0,1,0,0|2,0,1]=4 638 B9R1.35 O=C(O)[C@H]1C[C@H](CN1)O MCULE-3080568728 [0,0,0,1,0,0|1,0,2]=4 639 B9R1.35 O=C(O)[C@H]1C[C@H](CN1)O MCULE-4521316626 [0,0,0,1,0,0|1,0,2]=4 640 B9R1.35 O=C(O)[C@H]1C[C@H](CN1)O MCULE-5972935636 [0,0,0,1,0,0|1,0,2]=4 641 B9R1.35 O=C(O)[C@H]1C[C@H](CN1)O MCULE-7908625938 [0,0,0,1,0,0|1,0,2]=4 642 B9R1.35 O=C1C=C(CC1)C(=O)O MCULE-7681373121 [0,0,0,1,0,0|1,0,2]=4 643 B9R1.35 O=C1CC(=NN1)C(=O)O MCULE-2135539733 [0,0,0,1,0,0|2,0,1]=4 644 B9R1.35 O=C1CC(CN1)C(=O)O MCULE-2190630193 [0,0,0,1,0,0|2,0,0]=3 645 B9R1.35 O=C1CC(CO1)C(=O)O MCULE-4876585769 [0,0,0,1,0,0|2,0,0]=3 646 B9R1.35 O=C1CC(CS1)C(=O)O MCULE-5763665475 [0,0,0,1,0,0|2,0,0]=3 647 B9R1.35 O=C1CC(NN1)C(=O)O MCULE-3197471189 [0,0,0,1,0,0|2,0,0]=3 648 B9R1.35 O=C1CCC(C1)C(=O)O MCULE-8715651663 [0,0,0,1,0,0|1,0,0]=2 649 B9R1.35 O=C1CCC(N1)C(=O)Cl MCULE-7943877958 [0,0,0,1,0,0|3,0,0]=4 650 B9R1.35 O=C1CCC(N1)C(=O)O MCULE-4175874303 [0,0,0,1,0,0|2,0,0]=3 651 B9R1.35 O=C1CCC(N1)C(=O)O MCULE-9028773140 [0,0,0,1,0,0|2,0,0]=3 652 B9R1.35 O=C1CCC(N1)C(=O)[O-] MCULE-1554748470 [0,0,0,1,0,0|2,0,1]=4 653 B9R1.35 O=C1CCC(O1)C(=O)O MCULE-1992756541 [0,0,0,1,0,0|2,0,0]=3 654 B9R1.35 O=C1CCC(S1)C(=O)O MCULE-8929436839 [0,0,0,1,0,0|2,0,0]=3 655 B9R1.35 O=C1CC[C@@H](C1)C(=O)O MCULE-1554776363 [0,0,0,1,0,0|1,0,0]=2 656 B9R1.35 O=C1CC[C@@H](C1)C(=O)O MCULE-4649943680 [0,0,0,1,0,0|1,0,0]=2 657 B9R1.35 O=C1CC[C@@H](N1)C(=O)O MCULE-5900221010 [0,0,0,1,0,0|2,0,0]=3 658 B9R1.35 O=C1CC[C@@H](N1)C(=O)O MCULE-8170238114 [0,0,0,1,0,0|2,0,0]=3 659 B9R1.35 O=C1CC[C@@H](O1)C(=O)Cl MCULE-2420158992 [0,0,0,1,0,0|3,0,0]=4 660 B9R1.35 O=C1CC[C@@H](O1)C(=O)O MCULE-1446049605 [0,0,0,1,0,0|2,0,0]=3 661 B9R1.35 O=C1CC[C@@H](O1)C(=O)O MCULE-6745317325 [0,0,0,1,0,0|2,0,0]=3 662 B9R1.35 O=C1CC[C@H](C1)C(=O)O MCULE-6597072682 [0,0,0,1,0,0|1,0,0]=2 663 B9R1.35 O=C1CC[C@H](C1)C(=O)O MCULE-7880064966 [0,0,0,1,0,0|1,0,0]=2 664 B9R1.35 O=C1CC[C@H](N1)C(=O)O MCULE-4204877494 [0,0,0,1,0,0|2,0,0]=3 665 B9R1.35 O=C1CC[C@H](N1)C(=O)O MCULE-4908547112 [0,0,0,1,0,0|2,0,0]=3 666 B9R1.35 O=C1CC[C@H](N1)C(=O)O MCULE-6422141688 [0,0,0,1,0,0|2,0,0]=3 667 B9R1.35 O=C1CC[C@H](N1)C(=O)[O-] MCULE-2892153827 [0,0,0,1,0,0|2,0,1]=4 668 B9R1.35 O=C1CC[C@H](N1)C(=O)[O-] MCULE-8083669516 [0,0,0,1,0,0|2,0,1]=4 669 B9R1.35 O=C1CC[C@H](O1)C(=O)Cl MCULE-2111028314 [0,0,0,1,0,0|3,0,0]=4 670 B9R1.35 O=C1CC[C@H](O1)C(=O)O MCULE-5669975621 [0,0,0,1,0,0|2,0,0]=3 671 B9R1.35 O=C1CC[C@H](O1)C(=O)O MCULE-7113736527 [0,0,0,1,0,0|2,0,0]=3 672 B9R1.35 O=C1CC[C@H](S1)C(=O)O MCULE-4843749267 [0,0,0,1,0,0|2,0,0]=3 673 B9R1.35 O=C1CNC(C1)C(=O)O MCULE-7418065190 [0,0,0,1,0,0|1,0,0]=2 674 B9R1.35 O=C1CNC(C1)C(=O)O MCULE-7697956784 [0,0,0,1,0,0|1,0,0]=2 675 B9R1.35 O=C1CNC(C1)C(=O)O MCULE-9520720032 [0,0,0,1,0,0|1,0,0]=2 676 B9R1.35 O=C1CN[C@@H](C1)C(=O)O MCULE-2573903934 [0,0,0,1,0,0|1,0,0]=2 677 B9R1.35 O=C1CN[C@@H](C1)C(=O)O MCULE-3585746586 [0,0,0,1,0,0|1,0,0]=2 678 B9R1.35 O=C1CN[C@@H](C1)C(=O)O MCULE-4771747932 [0,0,0,1,0,0|1,0,0]=2 679 B9R1.35 O=C1CN[C@@H](C1)C(=O)O MCULE-4795592072 [0,0,0,1,0,0|1,0,0]=2 680 B9R1.35 O=C1CN[C@@H](C1)C(=O)O MCULE-6928857625 [0,0,0,1,0,0|1,0,0]=2 681 B9R1.35 O=C1COC(C1)C(=O)O MCULE-4720798204 [0,0,0,1,0,0|1,0,0]=2 682 B9R1.35 O=C1CSC(C1)C(=O)O MCULE-3309649635 [0,0,0,1,0,0|1,0,0]=2 683 B9R1.35 O=C1C[C@@H](CN1)C(=O)O MCULE-5673992530 [0,0,0,1,0,0|2,0,0]=3 684 B9R1.35 O=C1C[C@@H](CN1)C(=O)O MCULE-8443757903 [0,0,0,1,0,0|2,0,0]=3 685 B9R1.35 O=C1C[C@H](CN1)C(=O)O MCULE-1024601569 [0,0,0,1,0,0|2,0,0]=3 686 B9R1.35 O=C1C[C@H](CN1)C(=O)O MCULE-4280238532 [0,0,0,1,0,0|2,0,0]=3 687 B9R1.35 O=C1NC(CO1)C(=O)O MCULE-5946769187 [0,0,0,1,0,0|3,0,0]=4 688 B9R1.35 O=C1NC(CS1)C(=O)O MCULE-4574359237 [0,0,0,1,0,0|3,0,0]=4 689 B9R1.35 O=C1NCC(N1)C(=O)O MCULE-5872947769 [0,0,0,1,0,0|3,0,0]=4 690 B9R1.35 O=C1NCC(O1)C(=O)O MCULE-2773613806 [0,0,0,1,0,0|3,0,0]=4 691 B9R1.35 O=C1NC[C@@H](N1)C(=O)O MCULE-3499982275 [0,0,0,1,0,0|3,0,0]=4 692 B9R1.35 O=C1NC[C@@H](N1)C(=O)O MCULE-9995046216 [0,0,0,1,0,0|3,0,0]=4 693 B9R1.35 O=C1NC[C@H](N1)C(=O)O MCULE-2524102915 [0,0,0,1,0,0|3,0,0]=4 694 B9R1.35 O=C1NC[C@H](N1)C(=O)O MCULE-5992511798 [0,0,0,1,0,0|3,0,0]=4 695 B9R1.35 O=C1NC[C@H](O1)C(=O)O MCULE-5972751457 [0,0,0,1,0,0|3,0,0]=4 696 B9R1.35 O=C1NC[C@H](O1)C(=O)O MCULE-6879191654 [0,0,0,1,0,0|3,0,0]=4 697 B9R1.35 O=C1N[C@@H](CO1)C(=O)O MCULE-2786614278 [0,0,0,1,0,0|3,0,0]=4 698 B9R1.35 O=C1N[C@@H](CO1)C(=O)O MCULE-8589745511 [0,0,0,1,0,0|3,0,0]=4 699 B9R1.35 O=C1N[C@@H](CS1)C(=O)O MCULE-8232416107 [0,0,0,1,0,0|3,0,0]=4 700 B9R1.35 O=C1N[C@@H](CS1)C(=O)O MCULE-9439896780 [0,0,0,1,0,0|3,0,0]=4 701 B9R1.35 O=C1N[C@H](CO1)C(=O)O MCULE-3716829138 [0,0,0,1,0,0|3,0,0]=4 702 B9R1.35 O=C1N[C@H](CO1)C(=O)O MCULE-9300998688 [0,0,0,1,0,0|3,0,0]=4 703 B9R1.35 O=C1N[C@H](CS1)C(=O)O MCULE-3120744944 [0,0,0,1,0,0|3,0,0]=4 704 B9R1.35 O=C1OCC(O1)C(=O)O MCULE-2772637927 [0,0,0,1,0,0|3,0,0]=4 705 B9R1.35 [C@@H]1(CN[C@H](C1)C(=O)O)O MCULE-3075663401 [0,0,0,1,0,0|1,0,2]=4 706 B9R1.35 [C@H]1(CC[C@H](C1)C(=O)O)N MCULE-1734860042 [0,0,0,1,0,0|2,0,1]=4 707 B9R1.35 [C@H]1(CC[C@H](C1)C(=O)O)N MCULE-3698574567 [0,0,0,1,0,0|2,0,1]=4 708 B9R1.35 [C@H]1(CN[C@@H](C1)C(=O)O)F MCULE-1784559931 [0,0,0,1,0,0|2,0,1]=4 709 B9R1.35 [C@H]1(CN[C@@H](C1)C(=O)O)F MCULE-8392302309 [0,0,0,1,0,0|2,0,1]=4 710 B9R1.35 [C@H]1(CN[C@@H](C1)C(=O)O)S MCULE-7662717521 [0,0,0,1,0,0|1,1,1]=4 711 B9R1.35 [C@H]1(CN[C@H](C1)C(=O)O)F MCULE-2026019561 [0,0,0,1,0,0|2,0,1]=4 712 B9R1.35 [C@H]1(CN[C@H](C1)C(=O)O)F MCULE-8023038198 [0,0,0,1,0,0|2,0,1]=4 713 B9R1.35 [C@H]1(C[C@H](CN1)O)C(=O)O MCULE-3462627258 [0,0,0,1,0,0|1,0,2]=4 714 B9R1.49 O=C1CCC(=O)COC1 MCULE-3449745230 [0,0,0,1,0,0|2,0,0]=3 715 B9R1.49 O=C1CCCC(=O)NC1 MCULE-4912384035 [0,0,0,1,0,0|3,0,0]=4 716 B9R1.49 O=C1CCCS(=O)CC1 MCULE-7517634998 [0,0,0,1,0,0|3,0,0]=4 717 B9R1.49 O=C1CCNC(=O)CC1 MCULE-7393024422 [0,0,0,1,0,0|2,0,0]=3 718 B9R1.67 CC(=O)OC1CCC1=O MCULE-2752800385 [0,0,0,1,0,0|3,0,0]=4 719 B9R1.67 CC(O)CC1CCC1=O MCULE-5157418140 [0,0,0,1,0,0|2,0,1]=4 720 B9R1.69 CC1CC(=O)CCC1=O MCULE-2258739718 [0,0,0,1,0,0|2,0,0]=3 721 B9R1.69 CC1CC(CCC1=O)O MCULE-4154713632 [0,0,0,1,0,0|2,0,1]=4 722 B9R1.69 CC1NC(=O)CNC1=O MCULE-3674832613 [0,0,0,1,0,0|3,0,0]=4 723 B9R1.69 CC1NC(=O)CNC1=O MCULE-9058910414 [0,0,0,1,0,0|3,0,0]=4 724 B9R1.69 CC1OC(=O)COC1=O MCULE-8718960339 [0,0,0,1,0,0|2,0,0]=3 725 B9R1.69 CN1CC(=O)CCC1=O MCULE-3870648341 [0,0,0,1,0,0|3,0,0]=4 726 B9R1.69 CN1CCC(=O)C(C1)F MCULE-7137645519 [0,0,0,1,0,0|3,0,0]=4 727 B9R1.69 C[C@@H]1NC(=O)CNC1=O MCULE-2449320004 [0,0,0,1,0,0|3,0,0]=4 728 B9R1.69 C[C@@H]1NC(=O)CNC1=O MCULE-7629090482 [0,0,0,1,0,0|3,0,0]=4 729 B9R1.69 C[C@H]1NC(=O)CNC1=O MCULE-5376605309 [0,0,0,1,0,0|3,0,0]=4 730 B9R1.82 COC(=O)C1CC(=O)C1 MCULE-8671943269 [0,0,0,1,0,0|3,0,0]=4 731 B9R1.84 O=C(O)CCC1CCC1 MCULE-5780532364 [0,0,0,1,0,0|2,0,1]=4 732 B9R1.84 O=C(O)CCN1CCC1 MCULE-6537917818 [0,0,0,1,0,0|3,0,0]=4 733 B9R1.86 CCC1CC1CC(=O)O MCULE-9659162510 [0,0,0,1,0,0|2,0,1]=4 734 B9R1.95 CCC1CC(C1)C(=O)O MCULE-4399154195 [0,0,0,1,0,0|2,0,1]=4 735 B9R1.95 CCC1CC(C1)C(=O)O MCULE-6408590394 [0,0,0,1,0,0|2,0,1]=4 736 B9R1.95 CCN1CC(C1)C(=O)O MCULE-3132525132 [0,0,0,1,0,0|3,0,0]=4 737 B9R1.95 NCC1CC(C1)C(=O)O MCULE-5139246766 [0,0,0,1,0,0|2,0,1]=4 738 B9R1.95 NCC1CC(C1)C(=O)O MCULE-9472863522 [0,0,0,1,0,0|2,0,1]=4 739 B9R1.95 NC[C@H]1C[C@H](C1)C(=O)O MCULE-5593414975 [0,0,0,1,0,0|2,0,1]=4 740 B9R1.95 NC[C@H]1C[C@H](C1)C(=O)O MCULE-9152509638 [0,0,0,1,0,0|2,0,1]=4 741 B9R1.95 O=C(O)C1CC(C1)CBr MCULE-6774883657 [0,0,0,1,0,0|1,1,1]=4 742 B9R1.95 O=C(O)C1CC(C1)CF MCULE-2946863798 [0,0,0,1,0,0|1,0,1]=3 743 B9R1.95 O=C(O)C1CC(C1)CO MCULE-8568823768 [0,0,0,1,0,0|2,0,1]=4 744 B9R1.95 O=C(O)[C@H]1C[C@@H](C1)CO MCULE-5347571520 [0,0,0,1,0,0|2,0,1]=4 745 B9R1.95 O=C(O)[C@H]1C[C@H](C1)CO MCULE-6623890968 [0,0,0,1,0,0|2,0,1]=4 746 B9R1.125 CCC1(CCC(=O)O1)C MCULE-1533992852 [0,0,0,1,0,0|2,0,1]=4 747 B9R1.127 CCC1(CC1C(=O)O)C MCULE-5907126944 [0,0,0,1,0,0|2,0,1]=4 748 B9R1.147 CC1(CC1)CCC(=O)O MCULE-7141144115 [0,0,0,1,0,0|2,0,1]=4 749 B9R1.147 O=C(O)CCC1(CC1)O MCULE-2890628610 [0,0,0,1,0,0|1,0,2]=4 750 B7R0.2 C(O)(CN)CC(=O)O MCULE-8378388788 [0,0,0,0,1,0|1,0,2]=4 751 B7R0.2 CC(=O)NC(=O)CBr MCULE-3222708274 [0,0,0,0,1,0|2,1,0]=4 752 B7R0.2 CC(CN)CC(=O)O MCULE-1594242184 [0,0,0,0,1,0|2,0,1]=4 753 B7R0.2 CC(CN)CC(=O)O MCULE-8074816359 [0,0,0,0,1,0|2,0,1]=4 754 B7R0.2 CCC(=CC(=O)O)C MCULE-3864767099 [0,0,0,0,1,0|2,0,1]=4 755 B7R0.2 CCC(=O)CC(=O)C MCULE-1892470405 [0,0,0,0,1,0|2,0,0]=3 756 B7R0.2 CCC(=O)CC(=O)O MCULE-1083768149 [0,0,0,0,1,0|1,0,0]=2 757 B7R0.2 CCC(=O)OC(=O)C MCULE-8264492254 [0,0,0,0,1,0|3,0,0]=4 758 B7R0.2 CCC(C)CC(=O)O MCULE-3409782202 [0,0,0,0,1,0|2,0,1]=4 759 B7R0.2 CCC(C)CC(=O)O MCULE-6537278030 [0,0,0,0,1,0|2,0,1]=4 760 B7R0.2 CCC(N)CC(=O)O MCULE-1744910444 [0,0,0,0,1,0|2,0,1]=4 761 B7R0.2 CCC(N)CC(=O)O MCULE-5610499925 [0,0,0,0,1,0|2,0,1]=4 762 B7R0.2 CCC(O)CC(=O)O MCULE-4663578527 [0,0,0,0,1,0|1,0,2]=4 763 B7R0.2 CCN(C)CC(=O)O MCULE-3102395413 [0,0,0,0,1,0|3,0,0]=4 764 B7R0.2 CCS(=O)CC(=O)O MCULE-5648298475 [0,0,0,0,1,0|2,0,0]=3 765 B7R0.2 CC[C@@H](C)CC(=O)O MCULE-5550070887 [0,0,0,0,1,0|2,0,1]=4 766 B7R0.2 CC[C@@H](C)CC(=O)O MCULE-9572363620 [0,0,0,0,1,0|2,0,1]=4 767 B7R0.2 CC[C@@H](N)CC(=O)O MCULE-1158271004 [0,0,0,0,1,0|2,0,1]=4 768 B7R0.2 CC[C@@H](N)CC(=O)O MCULE-2354820947 [0,0,0,0,1,0|2,0,1]=4 769 B7R0.2 CC[C@@H](N)CC(=O)O MCULE-4284161835 [0,0,0,0,1,0|2,0,1]=4 770 B7R0.2 CC[C@@H](N)CC(=O)O MCULE-9523089766 [0,0,0,0,1,0|2,0,1]=4 771 B7R0.2 CC[C@H](C)CC(=O)O MCULE-4177365854 [0,0,0,0,1,0|2,0,1]=4 772 B7R0.2 CC[C@H](C)CC(=O)O MCULE-5173108207 [0,0,0,0,1,0|2,0,1]=4 773 B7R0.2 CC[C@H](N)CC(=O)O MCULE-1463536674 [0,0,0,0,1,0|2,0,1]=4 774 B7R0.2 CC[C@H](N)CC(=O)O MCULE-2865599647 [0,0,0,0,1,0|2,0,1]=4 775 B7R0.2 CC[C@H](N)CC(=O)O MCULE-4506847599 [0,0,0,0,1,0|2,0,1]=4 776 B7R0.2 CC[C@H](N)CC(=O)O MCULE-4819674539 [0,0,0,0,1,0|2,0,1]=4 777 B7R0.2 CNC(=O)CC(=O)C MCULE-4316009681 [0,0,0,0,1,0|3,0,0]=4 778 B7R0.2 CNC(=O)CC(=O)O MCULE-3506871336 [0,0,0,0,1,0|2,0,0]=3 779 B7R0.2 COC(=O)CC(=O)C MCULE-1265364784 [0,0,0,0,1,0|3,0,0]=4 780 B7R0.2 COC(=O)CC(=O)Cl MCULE-5016603273 [0,0,0,0,1,0|3,0,0]=4 781 B7R0.2 COC(=O)CC(=O)N MCULE-7129379910 [0,0,0,0,1,0|3,0,0]=4 782 B7R0.2 COC(=O)CC(=O)O MCULE-7983457925 [0,0,0,0,1,0|2,0,0]=3 783 B7R0.2 COC(=O)CC(=O)[O-] MCULE-4316322156 [0,0,0,0,1,0|2,0,1]=4 784 B7R0.2 C[C@H](CN)CC(=O)O MCULE-4808630217 [0,0,0,0,1,0|2,0,1]=4 785 B7R0.2 C[C@H](CN)CC(=O)O MCULE-5474405940 [0,0,0,0,1,0|2,0,1]=4 786 B7R0.2 N/C(=N/O)/CC(=O)O MCULE-5236282846 [0,0,0,0,1,0|3,0,0]=4 787 B7R0.2 NC(=O)NC(=O)CBr MCULE-4561848957 [0,0,0,0,1,0|2,1,0]=4 788 B7R0.2 NC(=O)NC(=O)CCl MCULE-6047100495 [0,0,0,0,1,0|2,1,0]=4 789 B7R0.2 NC(CO)CC(=O)O MCULE-4749383822 [0,0,0,0,1,0|2,0,1]=4 790 B7R0.2 NC(CO)CC(=O)O MCULE-7973334774 [0,0,0,0,1,0|2,0,1]=4 791 B7R0.2 NC(CO)CC(=O)O MCULE-8406665261 [0,0,0,0,1,0|2,0,1]=4 792 B7R0.2 NCC(N)CC(=O)O MCULE-5523883615 [0,0,0,0,1,0|2,0,1]=4 793 B7R0.2 NCC(N)CC(=O)O MCULE-7594259237 [0,0,0,0,1,0|2,0,1]=4 794 B7R0.2 NCC(O)CC(=O)O MCULE-9221352157 [0,0,0,0,1,0|1,0,2]=4 795 B7R0.2 NC[C@@H](N)CC(=O)O MCULE-6348974465 [0,0,0,0,1,0|2,0,1]=4 796 B7R0.2 NC[C@@H](N)CC(=O)O MCULE-9397628218 [0,0,0,0,1,0|2,0,1]=4 797 B7R0.2 NC[C@@H](O)CC(=O)O MCULE-2174350055 [0,0,0,0,1,0|1,0,2]=4 798 B7R0.2 NC[C@@H](O)CC(=O)O MCULE-8177708130 [0,0,0,0,1,0|1,0,2]=4 799 B7R0.2 NC[C@H](N)CC(=O)O MCULE-6133569516 [0,0,0,0,1,0|2,0,1]=4 800 B7R0.2 NC[C@H](N)CC(=O)O MCULE-7098533469 [0,0,0,0,1,0|2,0,1]=4 801 B7R0.2 NC[C@H](O)CC(=O)O MCULE-6634973995 [0,0,0,0,1,0|1,0,2]=4 802 B7R0.2 NC[C@H](O)CC(=O)O MCULE-8055679819 [0,0,0,0,1,0|1,0,2]=4 803 B7R0.2 N[C@@H](CO)CC(=O)O MCULE-1773927420 [0,0,0,0,1,0|2,0,1]=4 804 B7R0.2 N[C@@H](CO)CC(=O)O MCULE-2797951743 [0,0,0,0,1,0|2,0,1]=4 805 B7R0.2 N[C@@H](CO)CC(=O)O MCULE-3839766977 [0,0,0,0,1,0|2,0,1]=4 806 B7R0.2 N[C@H](CO)CC(=O)O MCULE-4130106630 [0,0,0,0,1,0|2,0,1]=4 807 B7R0.2 O=C(Br)CC(=O)CBr MCULE-5776576043 [0,0,0,0,1,0|1,1,0]=3 808 B7R0.2 O=C(Cl)CC(=O)CCl MCULE-6416318811 [0,0,0,0,1,0|1,1,0]=3 809 B7R0.2 O=C(O)CC(=O)CCl MCULE-9671015150 [0,0,0,0,1,0|0,1,0]=2 810 B7R0.2 O=C(O)CC(=O)CO MCULE-2224143705 [0,0,0,0,1,0|1,0,0]=2 811 B7R0.2 O=C(O)CC(O)CO MCULE-2851149196 [0,0,0,0,1,0|1,0,2]=4 812 B7R0.2 O=C(O)C[C@H](O)CO MCULE-5671818548 [0,0,0,0,1,0|1,0,2]=4 813 B9R0.1 C=CC(=O)OCCC(=O)O MCULE-6407187257 [0,0,0,0,0,1|1,0,1]=3 814 B9R0.1 CC(O)CCNC(=O)CN MCULE-2254047793 [0,0,0,0,0,1|2,0,1]=4 815 B9R0.1 CC(O)CCNC(=O)CN MCULE-3406589793 [0,0,0,0,0,1|2,0,1]=4 816 B9R0.1 CCC(=CCCC(=O)O)C MCULE-6674917264 [0,0,0,0,0,1|2,0,0]=3 817 B9R0.1 CCC(=O)CCCC(=O)O MCULE-9954859815 [0,0,0,0,0,1|1,0,0]=2 818 B9R0.1 CCC(=O)NCCC(=O)O MCULE-8290753533 [0,0,0,0,0,1|1,0,0]=2 819 B9R0.1 CCC(C)CCCC(=O)O MCULE-5124776736 [0,0,0,0,0,1|2,0,1]=4 820 B9R0.1 CNC(=O)CCCC(=O)O MCULE-1504372631 [0,0,0,0,0,1|2,0,0]=3 821 B9R0.1 CNC(=O)COCC(=O)O MCULE-6654181237 [0,0,0,0,0,1|2,0,0]=3 822 B9R0.1 CNC(=O)NCCC(=O)O MCULE-2339960341 [0,0,0,0,0,1|2,0,0]=3 823 B9R0.1 COC(=O)CCCC(=O)C MCULE-7598370905 [0,0,0,0,0,1|3,0,0]=4 824 B9R0.1 COC(=O)CCCC(=O)Cl MCULE-6036333168 [0,0,0,0,0,1|3,0,0]=4 825 B9R0.1 COC(=O)CCCC(=O)O MCULE-9458960872 [0,0,0,0,0,1|2,0,0]=3 826 B9R0.1 COC(=O)CCNC(=O)C MCULE-2210096145 [0,0,0,0,0,1|3,0,0]=4 827 B9R0.1 COC(=O)CCNC(=O)N MCULE-9678867682 [0,0,0,0,0,1|3,0,0]=4 828 B9R0.1 COC(=O)CNCC(=O)O MCULE-2471794774 [0,0,0,0,0,1|2,0,0]=3 829 B9R0.1 COC(=O)COCC(=O)C MCULE-4891593388 [0,0,0,0,0,1|3,0,0]=4 830 B9R0.1 COC(=O)COCC(=O)O MCULE-7342647633 [0,0,0,0,0,1|2,0,0]=3 831 B9R0.1 COC(=O)CSCC(=O)C MCULE-7264442650 [0,0,0,0,0,1|3,0,0]=4 832 B9R0.1 COC(=O)CSCC(=O)O MCULE-3902674048 [0,0,0,0,0,1|2,0,0]=3 833 B9R0.1 COC(=O)NCCC(=O)O MCULE-2819384794 [0,0,0,0,0,1|2,0,0]=3 834 B9R0.1 NCC(=O)CCCC(=O)O MCULE-2734634895 [0,0,0,0,0,1|1,0,0]=2 835 B9R0.1 NCC(=O)CCCC(=O)O MCULE-7779987234 [0,0,0,0,0,1|1,0,0]=2 836 B9R0.1 NCC(=O)NCCC(=O)N MCULE-3860393064 [0,0,0,0,0,1|2,0,0]=3 837 B9R0.1 NCC(=O)NCCC(=O)N MCULE-8788981043 [0,0,0,0,0,1|2,0,0]=3 838 B9R0.1 NCC(=O)ONCC(=O)O MCULE-2802022381 [0,0,0,0,0,1|2,0,0]=3 839 B9R0.1 O=C(O)CCCC(O)CO MCULE-8338266320 [0,0,0,0,0,1|1,0,2]=4 840 B9R0.1 O=C(O)CCNC(=O)CBr MCULE-6072289927 [0,0,0,0,0,1|0,1,0]=2 841 B9R0.1 O=C(O)CCNC(=O)CCl MCULE-4076619762 [0,0,0,0,0,1|0,1,0]=2 842 B9R0.1 O=C(O)CCNC(=O)CO MCULE-2710668626 [0,0,0,0,0,1|1,0,0]=2 843 B6R0.1 C=C(CC)CCO MCULE-5317656776 [2,0,0,0,0,0|2,0,0]=4 844 B6R0.1 C=CCC(=O)CN MCULE-3960819679 [2,0,0,0,0,0|1,0,1]=4 845 B6R0.1 C=CCC(=O)CN MCULE-8089375331 [2,0,0,0,0,0|1,0,1]=4 846 B6R0.1 CCCC(=O)CBr MCULE-6276592955 [2,0,0,0,0,0|0,1,1]=4 847 B6R0.1 CCCC(=O)CC MCULE-7121523805 [2,0,0,0,0,0|1,0,1]=4 848 B6R0.1 CCCC(=O)CCl MCULE-3021809695 [2,0,0,0,0,0|0,1,1]=4 849 B6R0.1 CCCC(=O)CN MCULE-4663263123 [2,0,0,0,0,0|1,0,1]=4 850 B6R0.1 CCCC(=O)CN MCULE-6326368932 [2,0,0,0,0,0|1,0,1]=4 851 B6R0.1 CCCC(=O)CO MCULE-6518249412 [2,0,0,0,0,0|1,0,1]=4 852 B6R0.1 CCOC(=O)CF MCULE-1926097423 [2,0,0,0,0,0|1,0,1]=4 853 B6R0.1 CCS(=O)CCO MCULE-8290368918 [2,0,0,0,0,0|2,0,0]=4 854 B6R0.1 CNC(=O)CCO MCULE-3222339741 [2,0,0,0,0,0|2,0,0]=4 855 B6R0.1 COC(=O)CC=O MCULE-6624474559 [2,0,0,0,0,0|2,0,0]=4 856 B6R0.1 COC(=O)CCO MCULE-8538834260 [2,0,0,0,0,0|2,0,0]=4 857 B6R0.1 NCCC(=O)CN MCULE-3906468943 [2,0,0,0,0,0|2,0,0]=4 858 B6R0.1 NCCC(=O)CN MCULE-9593243702 [2,0,0,0,0,0|2,0,0]=4 859 B6R0.1 NNC(=O)CCO MCULE-6184351353 [2,0,0,0,0,0|2,0,0]=4 860 B6R0.1 O=C(CCl)CCCl MCULE-6460902474 [2,0,0,0,0,0|1,1,0]=4 861 B6R0.1 O=C(CCl)NCO MCULE-9960585064 [2,0,0,0,0,0|1,1,0]=4 862 B6R0.4 C#CCCC(=O)C MCULE-8723638688 [2,0,0,0,0,0|1,0,1]=4 863 B6R0.4 C#CCCC(=O)O MCULE-6669146060 [2,0,0,0,0,0|0,0,2]=4 864 B6R0.4 C/C=C/CC(=O)Cl MCULE-5377125313 [2,0,0,0,0,0|1,0,1]=4 865 B6R0.4 C/C=C/CC(=O)N MCULE-1942934157 [2,0,0,0,0,0|1,0,1]=4 866 B6R0.4 C/C=C/CC(=O)O MCULE-4626577048 [2,0,0,0,0,0|0,0,1]=3 867 B6R0.4 C=C(C)CCCO MCULE-4629274490 [2,0,0,0,0,0|1,0,1]=4 868 B6R0.4 C=C(F)CCCO MCULE-1688645687 [2,0,0,0,0,0|1,0,1]=4 869 B6R0.4 C=C=CCC(=O)O MCULE-2611659307 [2,0,0,0,0,0|1,0,1]=4 870 B6R0.4 C=CCCC(=C)C MCULE-2323382963 [2,0,0,0,0,0|2,0,0]=4 871 B6R0.4 C=CCCC(=O)C MCULE-9598399930 [2,0,0,0,0,0|1,0,0]=3 872 B6R0.4 C=CCCC(=O)Cl MCULE-7378353157 [2,0,0,0,0,0|1,0,1]=4 873 B6R0.4 C=CCCC(=O)N MCULE-7202462484 [2,0,0,0,0,0|1,0,1]=4 874 B6R0.4 C=CCCC(=O)O MCULE-6221951425 [2,0,0,0,0,0|0,0,1]=3 875 B6R0.4 C=CCNC(=O)C MCULE-7903624915 [2,0,0,0,0,0|2,0,0]=4 876 B6R0.4 C=CCOC(=O)C MCULE-9991130828 [2,0,0,0,0,0|2,0,0]=4 877 B6R0.4 C=CNCC(=O)O MCULE-5142273921 [2,0,0,0,0,0|1,0,1]=4 878 B6R0.4 CC#CCC(=O)O MCULE-8576178825 [2,0,0,0,0,0|0,0,2]=4 879 B6R0.4 CC(=O)CCC#N MCULE-6810756363 [2,0,0,0,0,0|1,0,1]=4 880 B6R0.4 CC(=O)CCC=O MCULE-4767690464 [2,0,0,0,0,0|0,0,0]=2 881 B6R0.4 CC(=O)CCCBr MCULE-7143092097 [2,0,0,0,0,0|1,0,1]=4 882 B6R0.4 CC(=O)CCCCl MCULE-7158553745 [2,0,0,0,0,0|1,0,1]=4 883 B6R0.4 CC(=O)CCCO MCULE-1335342150 [2,0,0,0,0,0|0,0,1]=3 884 B6R0.4 CC(=O)NCCO MCULE-5968518415 [2,0,0,0,0,0|1,0,1]=4 885 B6R0.4 CC(=O)OCCO MCULE-1251660436 [2,0,0,0,0,0|1,0,1]=4 886 B6R0.4 CC(C)CCC=O MCULE-9664145623 [2,0,0,0,0,0|1,0,1]=4 887 B6R0.4 CC/C=C/C(=O)O MCULE-4888215476 [2,0,0,0,0,0|1,0,1]=4 888 B6R0.4 CC=CCC(=O)O MCULE-9174714653 [2,0,0,0,0,0|0,0,1]=3 889 B6R0.4 CCC=CC(=O)O MCULE-3920494238 [2,0,0,0,0,0|1,0,1]=4 890 B6R0.4 CCCCC(=O)Br MCULE-2980405081 [2,0,0,0,0,0|1,0,1]=4 891 B6R0.4 CCCCC(=O)C MCULE-3554390184 [2,0,0,0,0,0|1,0,1]=4 892 B6R0.4 CCCCC(=O)Cl MCULE-3875407102 [2,0,0,0,0,0|1,0,1]=4 893 B6R0.4 CCCCC(=O)N MCULE-6419483436 [2,0,0,0,0,0|1,0,1]=4 894 B6R0.4 CCCCC(=O)O MCULE-2333640078 [2,0,0,0,0,0|0,0,1]=3 895 B6R0.4 CCCCC(=O)[O-] MCULE-4817107962 [2,0,0,0,0,0|0,0,2]=4 896 B6R0.4 CCNCC(=O)O MCULE-5989480216 [2,0,0,0,0,0|1,0,1]=4 897 B6R0.4 CCNCC(=O)O MCULE-8087863397 [2,0,0,0,0,0|1,0,1]=4 898 B6R0.4 CCOCC(=O)O MCULE-1726530898 [2,0,0,0,0,0|1,0,1]=4 899 B6R0.4 CCSCC(=O)O MCULE-7471335718 [2,0,0,0,0,0|1,0,1]=4 900 B6R0.4 CN(C)CCC=O MCULE-6830649526 [2,0,0,0,0,0|2,0,0]=4 901 B6R0.4 CNCCC(=O)N MCULE-1118876220 [2,0,0,0,0,0|2,0,0]=4 902 B6R0.4 CNCCC(=O)N MCULE-6679713144 [2,0,0,0,0,0|2,0,0]=4 903 B6R0.4 CNCCC(=O)O MCULE-3627988097 [2,0,0,0,0,0|1,0,0]=3 904 B6R0.4 CNCCC(=O)O MCULE-9858204248 [2,0,0,0,0,0|1,0,0]=3 905 B6R0.4 COCCC(=O)C MCULE-5939812376 [2,0,0,0,0,0|2,0,0]=4 906 B6R0.4 COCCC(=O)Cl MCULE-9454266286 [2,0,0,0,0,0|2,0,0]=4 907 B6R0.4 COCCC(=O)N MCULE-7556483675 [2,0,0,0,0,0|2,0,0]=4 908 B6R0.4 COCCC(=O)O MCULE-3436347115 [2,0,0,0,0,0|1,0,0]=3 909 B6R0.4 CSCCC(=O)C MCULE-6178663156 [2,0,0,0,0,0|2,0,0]=4 910 B6R0.4 CSCCC(=O)Cl MCULE-9732512141 [2,0,0,0,0,0|2,0,0]=4 911 B6R0.4 CSCCC(=O)N MCULE-7105035733 [2,0,0,0,0,0|2,0,0]=4 912 B6R0.4 CSCCC(=O)O MCULE-9550032941 [2,0,0,0,0,0|1,0,0]=3 913 B6R0.4 CSSCC(=O)O MCULE-5829510166 [2,0,0,0,0,0|2,0,0]=4 914 B6R0.4 N#CCCC(=O)O MCULE-3165189228 [2,0,0,0,0,0|1,0,1]=4 915 B6R0.4 NC(=O)CCCCl MCULE-2774705212 [2,0,0,0,0,0|1,1,0]=4 916 B6R0.4 NC(=O)CCCO MCULE-3779341561 [2,0,0,0,0,0|1,0,1]=4 917 B6R0.4 NC(=O)NCCF MCULE-9526714989 [2,0,0,0,0,0|2,0,0]=4 918 B6R0.4 NC/C=C/C(=O)O MCULE-1249244912 [2,0,0,0,0,0|1,0,1]=4 919 B6R0.4 NCC=CC(=O)O MCULE-3049811576 [2,0,0,0,0,0|1,0,1]=4 920 B6R0.4 NCC=CC(=O)O MCULE-5171717036 [2,0,0,0,0,0|1,0,1]=4 921 B6R0.4 NCCCC(=O)Cl MCULE-1312882775 [2,0,0,0,0,0|2,0,0]=4 922 B6R0.4 NCCCC(=O)Cl MCULE-6405362906 [2,0,0,0,0,0|2,0,0]=4 923 B6R0.4 NCCCC(=O)N MCULE-8039142092 [2,0,0,0,0,0|2,0,0]=4 924 B6R0.4 NCCCC(=O)N MCULE-8262250872 [2,0,0,0,0,0|2,0,0]=4 925 B6R0.4 NCCCC(=O)O MCULE-3615304273 [2,0,0,0,0,0|1,0,0]=3 926 B6R0.4 NCCCC(=O)O MCULE-7613134021 [2,0,0,0,0,0|1,0,0]=3 927 B6R0.4 NOCCC(=O)O MCULE-1529492904 [2,0,0,0,0,0|2,0,0]=4 928 B6R0.4 NOCCC(=O)O MCULE-6297331357 [2,0,0,0,0,0|2,0,0]=4 929 B6R0.4 O=C(Cl)CCCBr MCULE-1389049838 [2,0,0,0,0,0|1,1,0]=4 930 B6R0.4 O=C(Cl)CCCCl MCULE-5885932072 [2,0,0,0,0,0|1,1,0]=4 931 B6R0.4 O=C(Cl)OCCF MCULE-5233366139 [2,0,0,0,0,0|2,0,0]=4 932 B6R0.4 O=C(O)/C=C/CBr MCULE-2012997584 [2,0,0,0,0,0|0,1,1]=4 933 B6R0.4 O=C(O)/C=C/CCl MCULE-5651159998 [2,0,0,0,0,0|0,1,1]=4 934 B6R0.4 O=C(O)/C=C/CO MCULE-1612823053 [2,0,0,0,0,0|1,0,1]=4 935 B6R0.4 O=C(O)C#CCF MCULE-8744045229 [2,0,0,0,0,0|0,0,2]=4 936 B6R0.4 O=C(O)C=CCBr MCULE-3029375430 [2,0,0,0,0,0|0,1,1]=4 937 B6R0.4 O=C(O)C=CCCl MCULE-1050913038 [2,0,0,0,0,0|0,1,1]=4 938 B6R0.4 O=C(O)C=CCO MCULE-3375515425 [2,0,0,0,0,0|1,0,1]=4 939 B6R0.4 O=C(O)CCCBr MCULE-5669825022 [2,0,0,0,0,0|0,1,0]=3 940 B6R0.4 O=C(O)CCCCl MCULE-7721427391 [2,0,0,0,0,0|0,1,0]=3 941 B6R0.4 O=C(O)CCCF MCULE-2415675768 [2,0,0,0,0,0|0,0,0]=2 942 B6R0.4 O=C(O)CCCI MCULE-7794841553 [2,0,0,0,0,0|0,1,0]=3 943 B6R0.4 O=C(O)CCCS MCULE-3352840152 [2,0,0,0,0,0|1,0,0]=3 944 B6R0.4 O=C(O)CNCO MCULE-4092998319 [2,0,0,0,0,0|2,0,0]=4 945 B6R0.4 O=C([O-])CCCCl MCULE-4131322715 [2,0,0,0,0,0|0,1,1]=4 946 B6R0.4 O=CCCC(=O)O MCULE-7183864722 [2,0,0,0,0,0|0,0,0]=2 947 B6R0.4 O=CCCC(F)F MCULE-4743402824 [2,0,0,0,0,0|1,0,1]=4 948 B6R0.4 O=CCCN(=O)=O MCULE-3692892497 [2,0,0,0,0,0|1,0,1]=4 949 B6R0.4 O=CNCC(=O)O MCULE-3251128290 [2,0,0,0,0,0|1,0,0]=3 950 B6R0.6 CC/C=C\CC=O MCULE-1715953159 [2,0,0,0,0,0|1,0,1]=4 951 B6R0.6 CCC=CCC=O MCULE-5764198290 [2,0,0,0,0,0|1,0,1]=4 952 B6R0.6 CCCCCC=O MCULE-6770578514 [2,0,0,0,0,0|1,0,1]=4 953 B6R0.6 CCOCCC=O MCULE-1664130148 [2,0,0,0,0,0|2,0,0]=4 954 B6R0.6 CCSCCC=O MCULE-2493452950 [2,0,0,0,0,0|2,0,0]=4 955 B6R0.6 O=CCCCCCl MCULE-1257670284 [2,0,0,0,0,0|0,1,1]=4 956 B6R0.6 O=CCCCCO MCULE-7959082228 [2,0,0,0,0,0|1,0,1]=4 957 B6R0.6 OCCCCCF MCULE-9253204275 [2,0,0,0,0,0|0,0,2]=4 958 B8R0.1 C=CCCC(=O)CCC MCULE-9846709255 [1,1,0,0,0,0|2,0,0]=4 959 B8R0.1 C=CCCC(=O)OCC MCULE-4147956319 [1,1,0,0,0,0|2,0,0]=4 960 B8R0.1 CCOC(=O)CCC=O MCULE-2891201608 [1,1,0,0,0,0|1,0,0]=3 961 B8R0.1 CCOC(=O)CCCO MCULE-6165580365 [1,1,0,0,0,0|1,0,1]=4 962 B8R0.1 CCOC(=O)CNC=O MCULE-7904243111 [1,1,0,0,0,0|2,0,0]=4 963 B8R0.6 C=CCCOC(=O)CN MCULE-8632791952 [1,1,0,0,0,0|2,0,0]=4 964 B8R0.6 CCCCOC(=O)CF MCULE-1355274212 [1,1,0,0,0,0|1,0,1]=4 965 B8R0.6 COC(=O)CCCC=O MCULE-2183669341 [1,1,0,0,0,0|2,0,0]=4 966 B8R0.6 COC(=O)CCNC=O MCULE-2214149264 [1,1,0,0,0,0|2,0,0]=4 967 B8R0.6 NCC(=O)NCCCO MCULE-3346996357 [1,1,0,0,0,0|1,0,1]=4 968 B8R0.6 NCC(=O)NCCCO MCULE-5088922472 [1,1,0,0,0,0|1,0,1]=4 969 B8R0.6 O=C(CCl)NCCCO MCULE-7154051707 [1,1,0,0,0,0|0,1,1]=4 970 B8R0.19 COC(=O)CC(C)C=O MCULE-1183479071 [1,1,0,0,0,0|2,0,0]=4 971 B8R0.19 O=C(CO)CC(O)CO MCULE-2853556664 [1,1,0,0,0,0|1,0,1]=4 972 B8R0.5 C/C=C/C(O)CC(=O)O MCULE-3416519692 [1,1,0,0,0,0|1,0,1]=4 973 B8R0.5 CC=CC(O)CC(=O)O MCULE-9449456878 [1,1,0,0,0,0|1,0,1]=4 974 B8R0.5 CCCC(C)CC(=O)O MCULE-6002154473 [1,1,0,0,0,0|1,0,1]=4 975 B8R0.5 CCCC(N)CC(=O)O MCULE-1356349547 [1,1,0,0,0,0|1,0,1]=4 976 B8R0.5 CCCC(N)CC(=O)O MCULE-4946770886 [1,1,0,0,0,0|1,0,1]=4 977 B8R0.5 CCCC(N)CC(=O)O MCULE-5502250330 [1,1,0,0,0,0|1,0,1]=4 978 B8R0.5 CCCC(N)CC(=O)O MCULE-9959180111 [1,1,0,0,0,0|1,0,1]=4 979 B8R0.5 CCCC(O)CC(=O)O MCULE-3158579605 [1,1,0,0,0,0|1,0,1]=4 980 B8R0.5 CCC[C@@H](N)CC(=O)O MCULE-9961668094 [1,1,0,0,0,0|1,0,1]=4 981 B8R0.5 CCC[C@H](N)CC(=O)O MCULE-1726586898 [1,1,0,0,0,0|1,0,1]=4 982 B8R0.5 CCC[C@H](N)CC(=O)O MCULE-5359238908 [1,1,0,0,0,0|1,0,1]=4 983 B8R0.5 CCC[C@H](N)CC(=O)O MCULE-5593873511 [1,1,0,0,0,0|1,0,1]=4 984 B8R0.5 CCC[C@H](N)CC(=O)O MCULE-7588873691 [1,1,0,0,0,0|1,0,1]=4 985 B8R0.5 CCNC(C)CC(=O)O MCULE-2938286546 [1,1,0,0,0,0|2,0,0]=4 986 B8R0.5 CCNC(C)CC(=O)O MCULE-4848873654 [1,1,0,0,0,0|2,0,0]=4 987 B8R0.5 CCSC(C)CC(=O)O MCULE-9735540046 [1,1,0,0,0,0|2,0,0]=4 988 B8R0.5 NCCC(O)CC(=O)O MCULE-3095949832 [1,1,0,0,0,0|1,0,1]=4 989 B8R0.5 NCCC(O)CC(=O)O MCULE-8864780829 [1,1,0,0,0,0|1,0,1]=4 990 B8R0.7 C#CCCCCC(=O)O MCULE-5828767633 [1,1,0,0,0,0|1,0,1]=4 991 B8R0.7 C#CCOCCC(=O)O MCULE-9710662304 [1,1,0,0,0,0|2,0,0]=4 992 B8R0.7 C=CCCCCC(=O)O MCULE-1991116122 [1,1,0,0,0,0|1,0,1]=4 993 B8R0.7 C=CCOCCC(=O)O MCULE-6102747899 [1,1,0,0,0,0|2,0,0]=4 994 B8R0.7 CC=CCCCC(=O)O MCULE-3300087433 [1,1,0,0,0,0|1,0,1]=4 995 B8R0.7 CCCC=CCC(=O)O MCULE-3879649411 [1,1,0,0,0,0|1,0,1]=4 996 B8R0.7 CCCCCCC(=O)O MCULE-1489137568 [1,1,0,0,0,0|1,0,1]=4 997 B8R0.7 CCCCNCC(=O)O MCULE-4725221957 [1,1,0,0,0,0|1,0,1]=4 998 B8R0.7 CCCCOCC(=O)O MCULE-9634255761 [1,1,0,0,0,0|1,0,1]=4 999 B8R0.7 CCCCSCC(=O)O MCULE-3580384865 [1,1,0,0,0,0|1,0,1]=4 1000 B8R0.7 CCCNCCC(=O)O MCULE-3144740259 [1,1,0,0,0,0|1,0,1]=4 1001 B8R0.7 CCCNCCC(=O)O MCULE-3866165037 [1,1,0,0,0,0|1,0,1]=4 1002 B8R0.7 CCCOCCC(=O)O MCULE-1927238608 [1,1,0,0,0,0|1,0,1]=4 1003 B8R0.7 CCCSCCC(=O)O MCULE-6454518290 [1,1,0,0,0,0|1,0,1]=4 1004 B8R0.7 CCNCCCC(=O)O MCULE-7019386199 [1,1,0,0,0,0|1,0,1]=4 1005 B8R0.7 CCNCCCC(=O)O MCULE-8568253592 [1,1,0,0,0,0|1,0,1]=4 1006 B8R0.7 CCOCCCC(=O)O MCULE-9064011886 [1,1,0,0,0,0|1,0,1]=4 1007 B8R0.7 CNCCCCC(=O)O MCULE-4298567521 [1,1,0,0,0,0|1,0,1]=4 1008 B8R0.7 CNCCCCC(=O)O MCULE-5688320983 [1,1,0,0,0,0|1,0,1]=4 1009 B8R0.7 COCCCCC(=O)O MCULE-1268596288 [1,1,0,0,0,0|1,0,1]=4 1010 B8R0.7 CSCCCCC(=O)O MCULE-4498129620 [1,1,0,0,0,0|1,0,1]=4 1011 B8R0.7 N#CCCCCC(=O)O MCULE-1900756226 [1,1,0,0,0,0|1,0,1]=4 1012 B8R0.7 NCCCCCC(=O)O MCULE-3640363033 [1,1,0,0,0,0|1,0,1]=4 1013 B8R0.7 NCCCCCC(=O)O MCULE-6389520144 [1,1,0,0,0,0|1,0,1]=4 1014 B8R0.7 NCCCNCC(=O)O MCULE-6526080048 [1,1,0,0,0,0|1,0,1]=4 1015 B8R0.7 NCCCNCC(=O)O MCULE-6762903438 [1,1,0,0,0,0|1,0,1]=4 1016 B8R0.7 NCCCOCC(=O)O MCULE-6428539436 [1,1,0,0,0,0|1,0,1]=4 1017 B8R0.7 NCCNCCC(=O)O MCULE-6596967912 [1,1,0,0,0,0|1,0,1]=4 1018 B8R0.7 NCCOCCC(=O)O MCULE-8535110656 [1,1,0,0,0,0|1,0,1]=4 1019 B8R0.7 NCCOCCC(=O)O MCULE-9124828795 [1,1,0,0,0,0|1,0,1]=4 1020 B8R0.7 NCCSCCC(=O)O MCULE-5309234181 [1,1,0,0,0,0|1,0,1]=4 1021 B8R0.7 NOCCCCC(=O)O MCULE-2022616022 [1,1,0,0,0,0|1,0,1]=4 1022 B8R0.7 NOCCCCC(=O)O MCULE-9375312454 [1,1,0,0,0,0|1,0,1]=4 1023 B8R0.7 O=C(O)CCCCCBr MCULE-2086088700 [1,1,0,0,0,0|0,1,1]=4 1024 B8R0.7 O=C(O)CCCCCCl MCULE-3419329115 [1,1,0,0,0,0|0,1,1]=4 1025 B8R0.7 O=C(O)CCCCCF MCULE-6736431365 [1,1,0,0,0,0|0,0,1]=3 1026 B8R0.7 O=C(O)CCCCCO MCULE-9202536119 [1,1,0,0,0,0|1,0,1]=4 1027 B8R0.7 O=C(O)CCCCCS MCULE-1414350107 [1,1,0,0,0,0|1,0,1]=4 1028 B8R0.7 O=C(O)CCNCCO MCULE-6594831168 [1,1,0,0,0,0|1,0,1]=4 1029 B8R0.7 O=C(O)CCOCCBr MCULE-8991363781 [1,1,0,0,0,0|0,1,1]=4 1030 B8R0.7 O=C(O)CCOCCO MCULE-7271806926 [1,1,0,0,0,0|1,0,1]=4 1031 B8R0.7 O=C(O)CCOCCS MCULE-2136117046 [1,1,0,0,0,0|1,0,1]=4 1032 B8R0.7 O=C(O)CCSCCO MCULE-4689447674 [1,1,0,0,0,0|1,0,1]=4 1033 B8R0.7 O=C(O)COCCCBr MCULE-2393807719 [1,1,0,0,0,0|0,1,1]=4 1034 B8R0.7 O=CCCCCC(=O)O MCULE-8762346998 [1,1,0,0,0,0|1,0,1]=4 1035 B8R0.28 CC(=CCCC(=O)O)C MCULE-5848388333 [1,1,0,0,0,0|1,0,1]=4 1036 B8R0.28 CC(C)/C=C/CC(=O)O MCULE-6288178603 [1,1,0,0,0,0|1,0,1]=4 1037 B8R0.28 CC(C)C=CCC(=O)O MCULE-1057297040 [1,1,0,0,0,0|1,0,1]=4 1038 B8R0.28 CC(C)CCCC(=O)O MCULE-3645348479 [1,1,0,0,0,0|1,0,1]=4 1039 B8R0.28 CC(C)NCCC(=O)O MCULE-2087792459 [1,1,0,0,0,0|2,0,0]=4 1040 B8R0.28 CC(C)NCCC(=O)O MCULE-6893587807 [1,1,0,0,0,0|2,0,0]=4 1041 B8R0.28 CC(C)OCCC(=O)O MCULE-6533666992 [1,1,0,0,0,0|2,0,0]=4 1042 B8R0.28 CC(C)SCCC(=O)O MCULE-1434094352 [1,1,0,0,0,0|2,0,0]=4 1043 B8R0.28 CC(O)CCCC(=O)O MCULE-6696855762 [1,1,0,0,0,0|1,0,1]=4 1044 B8R0.28 O=C(O)CCCC(F)F MCULE-1906281877 [1,1,0,0,0,0|0,0,1]=3 1045 B8R0.28 O=C(O)COCC(F)F MCULE-2599944385 [1,1,0,0,0,0|1,0,1]=4 1046 B8R0.23 C(N)(CC(C)C)C(=O)O MCULE-7664540924 [1,1,0,0,0,0|1,0,1]=4 1047 B8R0.23 C(N)(CS(=O)C)C(=O)O MCULE-3320985154 [1,1,0,0,0,0|1,0,0]=3 1048 B8R0.23 C=C(Br)CC(N)C(=O)O MCULE-2311003313 [1,1,0,0,0,0|1,0,1]=4 1049 B8R0.23 C=C(Br)C[C@@H](N)C(=O)O MCULE-2061865879 [1,1,0,0,0,0|1,0,1]=4 1050 B8R0.23 C=C(Br)C[C@@H](N)C(=O)O MCULE-6617690939 [1,1,0,0,0,0|1,0,1]=4 1051 B8R0.23 C=C(Br)C[C@H](N)C(=O)O MCULE-2602336550 [1,1,0,0,0,0|1,0,1]=4 1052 B8R0.23 C=C(Br)C[C@H](N)C(=O)O MCULE-9274484893 [1,1,0,0,0,0|1,0,1]=4 1053 B8R0.23 C=C(C)C(N)CC(=O)O MCULE-5527747045 [1,1,0,0,0,0|1,0,0]=3 1054 B8R0.23 C=C(C)CC(C)C(=O)O MCULE-7268483710 [1,1,0,0,0,0|1,0,0]=3 1055 B8R0.23 C=C(C)CC(N)C(=O)O MCULE-5915882776 [1,1,0,0,0,0|1,0,0]=3 1056 B8R0.23 C=C(C)C[C@@H](N)C(=O)O MCULE-2841714882 [1,1,0,0,0,0|1,0,0]=3 1057 B8R0.23 C=C(C)C[C@H](C)C(=O)O MCULE-9053114079 [1,1,0,0,0,0|1,0,0]=3 1058 B8R0.23 C=C(C)C[C@H](N)C(=O)O MCULE-1029058491 [1,1,0,0,0,0|1,0,0]=3 1059 B8R0.23 C=C(C)C[C@H](N)C(=O)O MCULE-6974720260 [1,1,0,0,0,0|1,0,0]=3 1060 B8R0.23 C=C(C)[C@@H](O)CC(=O)O MCULE-9399932923 [1,1,0,0,0,0|1,0,0]=3 1061 B8R0.23 C=C(CC(=O)O)C(=O)O MCULE-5221256796 [1,1,0,0,0,0|1,0,1]=4 1062 B8R0.23 C=C(Cl)CC(N)C(=O)O MCULE-3498417929 [1,1,0,0,0,0|1,0,1]=4 1063 B8R0.23 C=C(Cl)CC(N)C(=O)O MCULE-7451890779 [1,1,0,0,0,0|1,0,1]=4 1064 B8R0.23 C=C(NC(=O)C)C(=O)O MCULE-6963284423 [1,1,0,0,0,0|1,0,1]=4 1065 B8R0.23 CC(=O)C(C)CC(=O)O MCULE-9095166615 [1,1,0,0,0,0|0,0,0]=2 1066 B8R0.23 CC(=O)C(N)CC(=O)O MCULE-7043175556 [1,1,0,0,0,0|0,0,0]=2 1067 B8R0.23 CC(=O)CC(C)C(=O)O MCULE-4640477792 [1,1,0,0,0,0|0,0,0]=2 1068 B8R0.23 CC(=O)CC(N)C(=O)O MCULE-6275652695 [1,1,0,0,0,0|0,0,0]=2 1069 B8R0.23 CC(=O)CC(N)C(=O)O MCULE-6690241894 [1,1,0,0,0,0|0,0,0]=2 1070 B8R0.23 CC(=O)CC(O)C(=O)C MCULE-3447949844 [1,1,0,0,0,0|1,0,0]=3 1071 B8R0.23 CC(=O)CC(O)C(=O)O MCULE-4728629069 [1,1,0,0,0,0|0,0,0]=2 1072 B8R0.23 CC(=O)N(C)CC(=O)O MCULE-1037482941 [1,1,0,0,0,0|1,0,0]=3 1073 B8R0.23 CC(=O)NC(C)C(=O)C MCULE-4672583112 [1,1,0,0,0,0|2,0,0]=4 1074 B8R0.23 CC(=O)NC(C)C(=O)O MCULE-1209958700 [1,1,0,0,0,0|1,0,0]=3 1075 B8R0.23 CC(=O)NC(C)C(=O)O MCULE-6844686208 [1,1,0,0,0,0|1,0,0]=3 1076 B8R0.23 CC(=O)N[C@@H](C)C(=O)Cl MCULE-1899336261 [1,1,0,0,0,0|2,0,0]=4 1077 B8R0.23 CC(=O)N[C@@H](C)C(=O)Cl MCULE-2242849037 [1,1,0,0,0,0|2,0,0]=4 1078 B8R0.23 CC(=O)N[C@@H](C)C(=O)N MCULE-9322824133 [1,1,0,0,0,0|2,0,0]=4 1079 B8R0.23 CC(=O)N[C@@H](C)C(=O)N MCULE-9348799148 [1,1,0,0,0,0|2,0,0]=4 1080 B8R0.23 CC(=O)N[C@@H](C)C(=O)O MCULE-7453059048 [1,1,0,0,0,0|1,0,0]=3 1081 B8R0.23 CC(=O)N[C@@H](C)C(=O)O MCULE-9637570463 [1,1,0,0,0,0|1,0,0]=3 1082 B8R0.23 CC(=O)N[C@H](C)C(=O)O MCULE-1908712348 [1,1,0,0,0,0|1,0,0]=3 1083 B8R0.23 CC(=O)N[C@H](C)C(=O)O MCULE-3023888296 [1,1,0,0,0,0|1,0,0]=3 1084 B8R0.23 CC(=O)OC(C)C(=O)C MCULE-7403314261 [1,1,0,0,0,0|2,0,0]=4 1085 B8R0.23 CC(=O)OC(C)C(=O)Cl MCULE-9987734584 [1,1,0,0,0,0|2,0,0]=4 1086 B8R0.23 CC(=O)OC(C)C(=O)O MCULE-6745958064 [1,1,0,0,0,0|1,0,0]=3 1087 B8R0.23 CC(=O)OC(C)C(=O)O MCULE-8940501529 [1,1,0,0,0,0|1,0,0]=3 1088 B8R0.23 CC(=O)O[C@@H](C)C(=O)Cl MCULE-6842776649 [1,1,0,0,0,0|2,0,0]=4 1089 B8R0.23 CC(=O)O[C@@H](C)C(=O)Cl MCULE-9564324053 [1,1,0,0,0,0|2,0,0]=4 1090 B8R0.23 CC(=O)O[C@@H](C)C(=O)O MCULE-7850132202 [1,1,0,0,0,0|1,0,0]=3 1091 B8R0.23 CC(=O)O[C@@H](C)C(=O)O MCULE-9087871033 [1,1,0,0,0,0|1,0,0]=3 1092 B8R0.23 CC(=O)O[C@H](C)C(=O)Cl MCULE-4690787544 [1,1,0,0,0,0|2,0,0]=4 1093 B8R0.23 CC(=O)O[C@H](C)C(=O)Cl MCULE-6415823129 [1,1,0,0,0,0|2,0,0]=4 1094 B8R0.23 CC(=O)O[C@H](C)C(=O)O MCULE-3788243723 [1,1,0,0,0,0|1,0,0]=3 1095 B8R0.23 CC(=O)O[C@H](C)C(=O)O MCULE-8696299139 [1,1,0,0,0,0|1,0,0]=3 1096 B8R0.23 CC(C)C(C)CC(=O)O MCULE-8256978568 [1,1,0,0,0,0|1,0,1]=4 1097 B8R0.23 CC(C)C(N)CC(=O)O MCULE-1591106639 [1,1,0,0,0,0|1,0,1]=4 1098 B8R0.23 CC(C)C(N)CC(=O)O MCULE-2785677086 [1,1,0,0,0,0|1,0,1]=4 1099 B8R0.23 CC(C)C(N)CC(=O)O MCULE-7741390676 [1,1,0,0,0,0|1,0,1]=4 1100 B8R0.23 CC(C)C(N)CC(=O)O MCULE-7820976140 [1,1,0,0,0,0|1,0,1]=4 1101 B8R0.23 CC(C)C(O)CC(=O)O MCULE-2577623422 [1,1,0,0,0,0|1,0,1]=4 1102 B8R0.23 CC(C)CC(Br)C(=O)O MCULE-2778142655 [1,1,0,0,0,0|1,0,1]=4 1103 B8R0.23 CC(C)CC(Br)C(=O)O MCULE-7689846956 [1,1,0,0,0,0|1,0,1]=4 1104 B8R0.23 CC(C)CC(C)C(=O)O MCULE-7217536279 [1,1,0,0,0,0|1,0,1]=4 1105 B8R0.23 CC(C)CC(Cl)C(=O)O MCULE-6347367806 [1,1,0,0,0,0|1,0,1]=4 1106 B8R0.23 CC(C)CC(F)C(=O)O MCULE-6908911956 [1,1,0,0,0,0|1,0,1]=4 1107 B8R0.23 CC(C)CC(N)C(=O)O MCULE-2550986320 [1,1,0,0,0,0|1,0,1]=4 1108 B8R0.23 CC(C)CC(N)C(=O)O MCULE-7657212416 [1,1,0,0,0,0|1,0,1]=4 1109 B8R0.23 CC(C)CC(O)C(=O)O MCULE-3638762911 [1,1,0,0,0,0|1,0,1]=4 1110 B8R0.23 CC(C)CC(O)C(=O)O MCULE-4315013875 [1,1,0,0,0,0|1,0,1]=4 1111 B8R0.23 CC(C)C[C@@H](Br)C(=O)O MCULE-2325122781 [1,1,0,0,0,0|1,0,1]=4 1112 B8R0.23 CC(C)C[C@@H](Cl)C(=O)O MCULE-6797937420 [1,1,0,0,0,0|1,0,1]=4 1113 B8R0.23 CC(C)C[C@@H](N)C(=O)O MCULE-3041792060 [1,1,0,0,0,0|1,0,1]=4 1114 B8R0.23 CC(C)C[C@@H](N)C(=O)O MCULE-8280206722 [1,1,0,0,0,0|1,0,1]=4 1115 B8R0.23 CC(C)C[C@@H](O)C(=O)O MCULE-4108530385 [1,1,0,0,0,0|1,0,1]=4 1116 B8R0.23 CC(C)C[C@@H](O)C(=O)O MCULE-5253943571 [1,1,0,0,0,0|1,0,1]=4 1117 B8R0.23 CC(C)C[C@H](Br)C(=O)O MCULE-4423121396 [1,1,0,0,0,0|1,0,1]=4 1118 B8R0.23 CC(C)C[C@H](Br)C(=O)O MCULE-7601821889 [1,1,0,0,0,0|1,0,1]=4 1119 B8R0.23 CC(C)C[C@H](Cl)C(=O)O MCULE-1038344796 [1,1,0,0,0,0|1,0,1]=4 1120 B8R0.23 CC(C)C[C@H](Cl)C(=O)O MCULE-9007168250 [1,1,0,0,0,0|1,0,1]=4 1121 B8R0.23 CC(C)C[C@H](N)C(=O)O MCULE-4718215038 [1,1,0,0,0,0|1,0,1]=4 1122 B8R0.23 CC(C)C[C@H](N)C(=O)O MCULE-4930237913 [1,1,0,0,0,0|1,0,1]=4 1123 B8R0.23 CC(C)C[C@H](N)C(=O)O MCULE-8722899457 [1,1,0,0,0,0|1,0,1]=4 1124 B8R0.23 CC(C)C[C@H](O)C(=O)O MCULE-1740362996 [1,1,0,0,0,0|1,0,1]=4 1125 B8R0.23 CC(C)C[C@H](O)C(=O)O MCULE-4466965907 [1,1,0,0,0,0|1,0,1]=4 1126 B8R0.23 CC(C)[C@@H](N)CC(=O)O MCULE-4128027229 [1,1,0,0,0,0|1,0,1]=4 1127 B8R0.23 CC(C)[C@@H](N)CC(=O)O MCULE-5111030586 [1,1,0,0,0,0|1,0,1]=4 1128 B8R0.23 CC(C)[C@@H](N)CC(=O)O MCULE-7447469347 [1,1,0,0,0,0|1,0,1]=4 1129 B8R0.23 CC(C)[C@@H](N)CC(=O)O MCULE-8228659608 [1,1,0,0,0,0|1,0,1]=4 1130 B8R0.23 CC(C)[C@@H](O)CC(=O)O MCULE-6946774834 [1,1,0,0,0,0|1,0,1]=4 1131 B8R0.23 CC(C)[C@H](N)CC(=O)O MCULE-2362404476 [1,1,0,0,0,0|1,0,1]=4 1132 B8R0.23 CC(C)[C@H](N)CC(=O)O MCULE-4006103633 [1,1,0,0,0,0|1,0,1]=4 1133 B8R0.23 CC(C)[C@H](N)CC(=O)O MCULE-8085621397 [1,1,0,0,0,0|1,0,1]=4 1134 B8R0.23 CC(C)[C@H](N)CC(=O)O MCULE-8783742568 [1,1,0,0,0,0|1,0,1]=4 1135 B8R0.23 CC(CC(=O)Cl)C(=O)Cl MCULE-1409735811 [1,1,0,0,0,0|1,1,0]=4 1136 B8R0.23 CC(CC(=O)N)C(=O)O MCULE-8238400356 [1,1,0,0,0,0|1,0,0]=3 1137 B8R0.23 CC(CC(=O)O)C(=O)O MCULE-4824634360 [1,1,0,0,0,0|1,0,0]=3 1138 B8R0.23 CC(CC(=O)O)C(=O)O MCULE-8116748590 [1,1,0,0,0,0|1,0,0]=3 1139 B8R0.23 CC(CC(=O)O)C(F)F MCULE-1349015136 [1,1,0,0,0,0|1,0,1]=4 1140 B8R0.23 CC(CC(=O)O)N(C)C MCULE-5382425068 [1,1,0,0,0,0|2,0,0]=4 1141 B8R0.23 CC(CC(=O)O)N(C)C MCULE-9798996642 [1,1,0,0,0,0|2,0,0]=4 1142 B8R0.23 CC(CC(F)F)C(=O)O MCULE-2211206695 [1,1,0,0,0,0|1,0,1]=4 1143 B8R0.23 CC(CN(C)C)C(=O)O MCULE-7139783268 [1,1,0,0,0,0|2,0,0]=4 1144 B8R0.23 CC(CN(C)C)C(=O)O MCULE-7716649676 [1,1,0,0,0,0|2,0,0]=4 1145 B8R0.23 CC(CS(=O)C)C(=O)O MCULE-4855592077 [1,1,0,0,0,0|1,0,0]=3 1146 B8R0.23 CC(NC(=O)N)C(=O)O MCULE-9370944250 [1,1,0,0,0,0|2,0,0]=4 1147 B8R0.23 CC(O)C(N)CC(=O)O MCULE-5161755443 [1,1,0,0,0,0|0,0,2]=4 1148 B8R0.23 CC(O)C(N)CC(=O)O MCULE-6370326858 [1,1,0,0,0,0|0,0,2]=4 1149 B8R0.23 CN(C)CC(N)C(=O)O MCULE-4589211472 [1,1,0,0,0,0|2,0,0]=4 1150 B8R0.23 CN(C)CC(N)C(=O)O MCULE-4873136690 [1,1,0,0,0,0|2,0,0]=4 1151 B8R0.23 CN(C)CC(O)C(=O)O MCULE-2461037518 [1,1,0,0,0,0|2,0,0]=4 1152 B8R0.23 CN(C)C[C@@H](N)C(=O)O MCULE-7056570231 [1,1,0,0,0,0|2,0,0]=4 1153 B8R0.23 CN(C)C[C@H](N)C(=O)O MCULE-1155351106 [1,1,0,0,0,0|2,0,0]=4 1154 B8R0.23 CN(C)C[C@H](N)C(=O)O MCULE-2217543416 [1,1,0,0,0,0|2,0,0]=4 1155 B8R0.23 CN(C)C[C@H](N)C(=O)O MCULE-6989814495 [1,1,0,0,0,0|2,0,0]=4 1156 B8R0.23 CN(C)C[C@H](N)C(=O)O MCULE-7529109312 [1,1,0,0,0,0|2,0,0]=4 1157 B8R0.23 CN(C)C[C@H](O)C(=O)O MCULE-7629489364 [1,1,0,0,0,0|2,0,0]=4 1158 B8R0.23 CN(CC(=O)O)C(=O)N MCULE-6739535875 [1,1,0,0,0,0|2,0,0]=4 1159 B8R0.23 CS(=O)CC(N)C(=O)O MCULE-5699602621 [1,1,0,0,0,0|1,0,0]=3 1160 B8R0.23 CS(=O)C[C@@H](N)C(=O)O MCULE-8253087333 [1,1,0,0,0,0|1,0,0]=3 1161 B8R0.23 CS(=O)C[C@H](N)C(=O)O MCULE-5080098254 [1,1,0,0,0,0|1,0,0]=3 1162 B8R0.23 C[C@@H](CC(=O)O)C(=O)O MCULE-1711994689 [1,1,0,0,0,0|1,0,0]=3 1163 B8R0.23 C[C@@H](CC(=O)O)C(=O)O MCULE-6107805812 [1,1,0,0,0,0|1,0,0]=3 1164 B8R0.23 C[C@@H](CC(=O)O)N(C)C MCULE-7203350382 [1,1,0,0,0,0|2,0,0]=4 1165 B8R0.23 C[C@@H](O)[C@H](N)CC(=O)O MCULE-1416044737 [1,1,0,0,0,0|0,0,2]=4 1166 B8R0.23 C[C@@H](O)[C@H](N)CC(=O)O MCULE-2990511228 [1,1,0,0,0,0|0,0,2]=4 1167 B8R0.23 C[C@@H](O)[C@H](N)CC(=O)O MCULE-3178455647 [1,1,0,0,0,0|0,0,2]=4 1168 B8R0.23 C[C@@H](O)[C@H](N)CC(=O)O MCULE-4413833682 [1,1,0,0,0,0|0,0,2]=4 1169 B8R0.23 C[C@@H](O)[C@H](N)CC(=O)O MCULE-7332826518 [1,1,0,0,0,0|0,0,2]=4 1170 B8R0.23 C[C@@H](O)[C@H](N)CC(=O)O MCULE-7552978009 [1,1,0,0,0,0|0,0,2]=4 1171 B8R0.23 C[C@H](CC(=O)O)C(=O)O MCULE-2738295504 [1,1,0,0,0,0|1,0,0]=3 1172 B8R0.23 C[C@H](CC(=O)O)C(=O)O MCULE-4544789339 [1,1,0,0,0,0|1,0,0]=3 1173 B8R0.23 C[C@H](CC(=O)O)N(C)C MCULE-8459726256 [1,1,0,0,0,0|2,0,0]=4 1174 B8R0.23 C[C@H](Cl)C[C@H](N)C(=O)O MCULE-5195061270 [1,1,0,0,0,0|1,0,1]=4 1175 B8R0.23 C[C@H](Cl)C[C@H](N)C(=O)O MCULE-5975065356 [1,1,0,0,0,0|1,0,1]=4 1176 B8R0.23 C[C@H](NC(=O)N)C(=O)O MCULE-7947685696 [1,1,0,0,0,0|2,0,0]=4 1177 B8R0.23 C[C@H](O)[C@@H](N)CC(=O)O MCULE-8673070329 [1,1,0,0,0,0|0,0,2]=4 1178 B8R0.23 C[S@](=O)C[C@@H](N)C(=O)O MCULE-4004385080 [1,1,0,0,0,0|1,0,0]=3 1179 B8R0.23 NC(=O)C(N)CC(=O)O MCULE-2277575843 [1,1,0,0,0,0|1,0,0]=3 1180 B8R0.23 NC(=O)CC(Br)C(=O)O MCULE-2823539046 [1,1,0,0,0,0|1,0,0]=3 1181 B8R0.23 NC(=O)CC(N)C(=O)O MCULE-1395307434 [1,1,0,0,0,0|1,0,0]=3 1182 B8R0.23 NC(=O)C[C@@H](N)C(=O)N MCULE-7126009795 [1,1,0,0,0,0|2,0,0]=4 1183 B8R0.23 NC(=O)C[C@@H](N)C(=O)O MCULE-5685974579 [1,1,0,0,0,0|1,0,0]=3 1184 B8R0.23 NC(=O)C[C@@H](N)C(=O)O MCULE-6923060287 [1,1,0,0,0,0|1,0,0]=3 1185 B8R0.23 NC(=O)C[C@H](N)C(=O)N MCULE-3049784970 [1,1,0,0,0,0|2,0,0]=4 1186 B8R0.23 NC(=O)C[C@H](N)C(=O)N MCULE-6209092318 [1,1,0,0,0,0|2,0,0]=4 1187 B8R0.23 NC(=O)C[C@H](N)C(=O)N MCULE-7482170747 [1,1,0,0,0,0|2,0,0]=4 1188 B8R0.23 NC(=O)C[C@H](N)C(=O)N MCULE-8939291995 [1,1,0,0,0,0|2,0,0]=4 1189 B8R0.23 NC(=O)C[C@H](N)C(=O)O MCULE-1868046141 [1,1,0,0,0,0|1,0,0]=3 1190 B8R0.23 NC(=O)C[C@H](N)C(=O)O MCULE-8248953574 [1,1,0,0,0,0|1,0,0]=3 1191 B8R0.23 NC(=O)N(N)CC(=O)O MCULE-2553509411 [1,1,0,0,0,0|2,0,0]=4 1192 B8R0.23 NC(=O)[C@@H](N)CC(=O)O MCULE-1924512659 [1,1,0,0,0,0|1,0,0]=3 1193 B8R0.23 NC(=O)[C@@H](N)CC(=O)O MCULE-5836180326 [1,1,0,0,0,0|1,0,0]=3 1194 B8R0.23 NC(=O)[C@@H](N)CC(=O)O MCULE-8799617587 [1,1,0,0,0,0|1,0,0]=3 1195 B8R0.23 NC(=O)[C@@H](N)CC(=O)O MCULE-9477928215 [1,1,0,0,0,0|1,0,0]=3 1196 B8R0.23 NC(=O)[C@H](N)CC(=O)O MCULE-5316198498 [1,1,0,0,0,0|1,0,0]=3 1197 B8R0.23 NC(=O)[C@H](N)CC(=O)O MCULE-9833023193 [1,1,0,0,0,0|1,0,0]=3 1198 B8R0.23 NC(CC(=O)O)C(=O)O MCULE-1247865301 [1,1,0,0,0,0|1,0,0]=3 1199 B8R0.23 NC(CC(=O)O)C(=O)O MCULE-9328817309 [1,1,0,0,0,0|1,0,0]=3 1200 B8R0.23 NC(CC(=O)O)C(=O)[O-] MCULE-5149469296 [1,1,0,0,0,0|1,0,0]=3 1201 B8R0.23 NC(CC(=O)O)C(=O)[O-] MCULE-6655576025 [1,1,0,0,0,0|1,0,0]=3 1202 B8R0.23 NC(CC(=O)[O-])C(=O)O MCULE-9221777365 [1,1,0,0,0,0|1,0,0]=3 1203 B8R0.23 NC(CC(=O)[O-])C(=O)[O-] MCULE-5331717218 [1,1,0,0,0,0|1,0,1]=4 1204 B8R0.23 NC(CC(=O)[O-])C(=O)[O-] MCULE-5921707862 [1,1,0,0,0,0|1,0,1]=4 1205 B8R0.23 NC(CC(F)F)C(=O)O MCULE-1880803967 [1,1,0,0,0,0|1,0,1]=4 1206 B8R0.23 NC(CC(F)F)C(=O)O MCULE-7276277891 [1,1,0,0,0,0|1,0,1]=4 1207 B8R0.23 N[C@@H](CC(=O)O)C(=O)O MCULE-3710241722 [1,1,0,0,0,0|1,0,0]=3 1208 B8R0.23 N[C@@H](CC(=O)O)C(=O)O MCULE-6700641640 [1,1,0,0,0,0|1,0,0]=3 1209 B8R0.23 N[C@@H](CC(=O)O)C(=O)[O-] MCULE-6196524297 [1,1,0,0,0,0|1,0,0]=3 1210 B8R0.23 N[C@@H](CC(=O)[O-])C(=O)O MCULE-5793000569 [1,1,0,0,0,0|1,0,0]=3 1211 B8R0.23 N[C@@H](CC(=O)[O-])C(=O)[O-] MCULE-4019077430 [1,1,0,0,0,0|1,0,1]=4 1212 B8R0.23 N[C@@H](CC(=O)[O-])C(=O)[O-] MCULE-5586538224 [1,1,0,0,0,0|1,0,1]=4 1213 B8R0.23 N[C@@H](CC(=O)[O-])C(=O)[O-] MCULE-7845714288 [1,1,0,0,0,0|1,0,1]=4 1214 B8R0.23 N[C@@H](CC(=O)[O-])C(=O)[O-] MCULE-8320700728 [1,1,0,0,0,0|1,0,1]=4 1215 B8R0.23 N[C@@H](CC(=O)[O-])C(=O)[O-] MCULE-8905060145 [1,1,0,0,0,0|1,0,1]=4 1216 B8R0.23 N[C@@H](CC(F)F)C(=O)O MCULE-3232895455 [1,1,0,0,0,0|1,0,1]=4 1217 B8R0.23 N[C@@H](CC(F)F)C(=O)O MCULE-3771092799 [1,1,0,0,0,0|1,0,1]=4 1218 B8R0.23 N[C@@H](CC(F)F)C(=O)O MCULE-5990452255 [1,1,0,0,0,0|1,0,1]=4 1219 B8R0.23 N[C@@H](CS(=O)O)C(=O)O MCULE-6647925908 [1,1,0,0,0,0|2,0,0]=4 1220 B8R0.23 N[C@@H](CS(=O)O)C(=O)O MCULE-7596867929 [1,1,0,0,0,0|2,0,0]=4 1221 B8R0.23 N[C@H](CC(=O)O)C(=O)O MCULE-8102700760 [1,1,0,0,0,0|1,0,0]=3 1222 B8R0.23 N[C@H](CC(F)F)C(=O)O MCULE-2615133633 [1,1,0,0,0,0|1,0,1]=4 1223 B8R0.23 N[C@H](CC(F)F)C(=O)O MCULE-4923641891 [1,1,0,0,0,0|1,0,1]=4 1224 B8R0.23 O=C(O)CC(=O)C(=O)O MCULE-6059222019 [1,1,0,0,0,0|1,0,1]=4 1225 B8R0.23 O=C(O)CC(Br)C(=O)O MCULE-8178780603 [1,1,0,0,0,0|1,0,0]=3 1226 B8R0.23 O=C(O)CC(Cl)C(=O)O MCULE-6357456691 [1,1,0,0,0,0|1,0,0]=3 1227 B8R0.23 O=C(O)CC(F)C(=O)O MCULE-8433198001 [1,1,0,0,0,0|1,0,0]=3 1228 B8R0.23 O=C(O)CC(O)C(=O)O MCULE-5852208511 [1,1,0,0,0,0|1,0,0]=3 1229 B8R0.23 O=C(O)CC(O)C(=O)O MCULE-9713558868 [1,1,0,0,0,0|1,0,0]=3 1230 B8R0.23 O=C(O)CC(O)C(=O)O MCULE-9924961830 [1,1,0,0,0,0|1,0,0]=3 1231 B8R0.23 O=C(O)CC(S)C(=O)O MCULE-7005300961 [1,1,0,0,0,0|1,0,0]=3 1232 B8R0.23 O=C(O)C[C@@H](Br)C(=O)O MCULE-4598056907 [1,1,0,0,0,0|1,0,0]=3 1233 B8R0.23 O=C(O)C[C@@H](Br)C(=O)O MCULE-7861798045 [1,1,0,0,0,0|1,0,0]=3 1234 B8R0.23 O=C(O)C[C@@H](O)C(=O)O MCULE-2239273084 [1,1,0,0,0,0|1,0,0]=3 1235 B8R0.23 O=C(O)C[C@@H](O)C(=O)O MCULE-4984266891 [1,1,0,0,0,0|1,0,0]=3 1236 B8R0.23 O=C(O)C[C@H](Br)C(=O)O MCULE-6763472515 [1,1,0,0,0,0|1,0,0]=3 1237 B8R0.23 O=C(O)C[C@H](Br)C(=O)O MCULE-7524683930 [1,1,0,0,0,0|1,0,0]=3 1238 B8R0.23 O=C(O)C[C@H](F)C(=O)O MCULE-9607625100 [1,1,0,0,0,0|1,0,0]=3 1239 B8R0.23 O=C(O)C[C@H](O)C(=O)O MCULE-8339271078 [1,1,0,0,0,0|1,0,0]=3 1240 B8R0.23 O=C(O)C[C@H](O)C(=O)O MCULE-8865188741 [1,1,0,0,0,0|1,0,0]=3 1241 B8R0.23 O=C(O)C[C@H](O)C(=O)[O-] MCULE-1033530810 [1,1,0,0,0,0|1,0,0]=3 1242 B8R0.23 O=C(O)C[C@H](S)C(=O)O MCULE-6393371024 [1,1,0,0,0,0|1,0,0]=3 1243 B8R0.23 OC(=O)CN(C(=O)N)N MCULE-5081763144 [1,1,0,0,0,0|2,0,0]=4 1244 B8R0.23 [C@@H](N)(CC(=O)O)C(=O)O MCULE-7899824165 [1,1,0,0,0,0|1,0,0]=3 1245 B8R0.23 [C@H](N)(CS(=O)C)C(=O)O MCULE-5084638505 [1,1,0,0,0,0|1,0,0]=3 1246 B8R0.23 [NH3+]C(CS(=O)[O-])C(=O)O MCULE-5293441756 [1,1,0,0,0,0|2,0,0]=4 1247 B8R0.23 [NH3+][C@@H](CC(=O)[O-])C(=O)[O-] MCULE-1215535631 [1,1,0,0,0,0|1,0,1]=4 1248 B8R0.29 CC(=O)CCC(C)(C)O MCULE-8412947781 [1,1,0,0,0,0|1,0,1]=4 1249 B8R0.29 CC(=O)CCS(=O)(=O)C MCULE-3749048069 [1,1,0,0,0,0|1,0,1]=4 1250 B8R0.29 CC(=O)NCP(=O)(O)O MCULE-6441383987 [1,1,0,0,0,0|2,0,0]=4 1251 B8R0.29 CC(C)(C)CCC(=O)O MCULE-8929874481 [1,1,0,0,0,0|1,0,1]=4 1252 B8R0.29 CC(C)(N)CCC(=O)O MCULE-1195501366 [1,1,0,0,0,0|1,0,1]=4 1253 B8R0.29 CC(C)(N)CCC(=O)O MCULE-3901764815 [1,1,0,0,0,0|1,0,1]=4 1254 B8R0.29 CC(C)(S)CCC(=O)O MCULE-7771494478 [1,1,0,0,0,0|0,1,1]=4 1255 B8R0.29 CC(F)(F)CCC(=O)O MCULE-6694097155 [1,1,0,0,0,0|1,0,1]=4 1256 B8R0.29 CP(=O)(C)CCC(=O)O MCULE-4161237740 [1,1,0,0,0,0|1,0,0]=3 1257 B8R0.29 CP(=O)(O)CCC(=O)O MCULE-7722406670 [1,1,0,0,0,0|1,0,0]=3 1258 B8R0.29 CP(=S)(C)CCC(=O)O MCULE-5422068119 [1,1,0,0,0,0|1,1,0]=4 1259 B8R0.29 CS(=O)(=NCC(=O)O)C MCULE-1962520069 [1,1,0,0,0,0|2,0,0]=4 1260 B8R0.29 CS(=O)(=O)CCC(=O)O MCULE-6100062469 [1,1,0,0,0,0|1,0,0]=3 1261 B8R0.29 CS(=O)(=O)NCC(=O)O MCULE-6239662408 [1,1,0,0,0,0|2,0,0]=4 1262 B8R0.29 CS(=O)(=O)OCC(=O)O MCULE-5511249618 [1,1,0,0,0,0|2,0,0]=4 1263 B8R0.29 C[Si](C)(C)CCC(=O)O MCULE-7609579135 [1,1,0,0,0,0|1,1,0]=4 1264 B8R0.29 NS(=O)(=O)CCC(=O)O MCULE-7062523969 [1,1,0,0,0,0|2,0,0]=4 1265 B8R0.29 O=C(O)CCC(F)(F)F MCULE-9968667608 [1,1,0,0,0,0|1,0,1]=4 1266 B8R0.29 O=C(O)CCP(=O)(O)O MCULE-5647723204 [1,1,0,0,0,0|2,0,0]=4 1267 B8R0.29 O=C(O)CCS(=O)(=O)O MCULE-8973025218 [1,1,0,0,0,0|2,0,0]=4 1268 B8R0.2 CCC(=O)C(C)C(=O)O MCULE-9192813670 [0,1,0,0,1,0|1,0,0]=3 1269 B8R0.2 COC(=O)C(C)C(=O)O MCULE-6548116408 [0,1,0,0,1,0|2,0,0]=4 1270 B8R0.2 COC(=O)C(N)C(=O)O MCULE-2696171130 [0,1,0,0,1,0|2,0,0]=4 1271 B8R0.2 COC(=O)C(N)C(=O)O MCULE-7192453479 [0,1,0,0,1,0|2,0,0]=4 1272 B8R0.2 COC(=O)[C@@H](N)C(=O)O MCULE-3813999303 [0,1,0,0,1,0|2,0,0]=4 1273 B8R0.2 COC(=O)[C@@H](N)C(=O)O MCULE-7475117362 [0,1,0,0,1,0|2,0,0]=4 1274 B8R0.34 CCS(=O)(=O)CC(=O)O MCULE-2833586083 [0,1,0,0,1,0|2,0,0]=4 1275 B10R0.3 CCCC(=O)CCCC(=O)O MCULE-5554652459 [0,1,0,0,0,1|1,0,0]=3 1276 B10R0.3 CCCC(=O)NCCC(=O)O MCULE-9942655490 [0,1,0,0,0,1|1,0,0]=3 1277 B10R0.3 CCNC(=O)CCCC(=O)O MCULE-4769569674 [0,1,0,0,0,1|1,0,0]=3 1278 B10R0.3 CCNC(=O)COCC(=O)O MCULE-7645741656 [0,1,0,0,0,1|1,0,0]=3 1279 B10R0.3 CCNC(=S)SCCC(=O)O MCULE-6954749045 [0,1,0,0,0,1|1,1,0]=4 1280 B10R0.3 CCOC(=O)CCCC(=O)C MCULE-7629371322 [0,1,0,0,0,1|2,0,0]=4 1281 B10R0.3 CCOC(=O)CCCC(=O)Cl MCULE-7647030650 [0,1,0,0,0,1|2,0,0]=4 1282 B10R0.3 CCOC(=O)CCCC(=O)O MCULE-2798972740 [0,1,0,0,0,1|1,0,0]=3 1283 B10R0.3 CCOC(=O)CCNC(=O)N MCULE-2375342374 [0,1,0,0,0,1|2,0,0]=4 1284 B10R0.3 CCOC(=O)CNCC(=O)N MCULE-5496236051 [0,1,0,0,0,1|2,0,0]=4 1285 B10R0.3 CCOC(=O)CSCC(=O)C MCULE-7116933404 [0,1,0,0,0,1|2,0,0]=4 1286 B10R0.3 CCOC(=O)NCCC(=O)O MCULE-9904189111 [0,1,0,0,0,1|1,0,0]=3 1287 B10R0.3 COCC(=O)NCCC(=O)O MCULE-3760984567 [0,1,0,0,0,1|1,0,0]=3 1288 B10R0.3 NCCC(=O)NCCC(=O)O MCULE-9840310477 [0,1,0,0,0,1|1,0,0]=3 1289 B10R0.3 O=C(O)CCNC(=O)C=CCl MCULE-6188251782 [0,1,0,0,0,1|0,1,1]=4 1290 B10R0.44 COC(=O)CC(C)CC(=O)O MCULE-2040975724 [0,1,0,0,0,1|2,0,0]=4 1291 B10R0.44 COC(=O)CC(C)CC(=O)O MCULE-8664626816 [0,1,0,0,0,1|2,0,0]=4 1292 B10R0.44 COC(=O)C[C@H](C)CC(=O)O MCULE-3674114279 [0,1,0,0,0,1|2,0,0]=4 1293 B10R0.44 COC(=O)C[C@H](C)CC(=O)O MCULE-7834226828 [0,1,0,0,0,1|2,0,0]=4 1294 B10R0.57 C(N)(CCC(=O)O)C(=O)OC MCULE-6082605624 [0,1,0,0,0,1|2,0,0]=4 1295 B10R0.57 COC(=O)C(N)CCC(=O)O MCULE-3294558028 [0,1,0,0,0,1|2,0,0]=4 1296 B10R0.57 COC(=O)C(N)CCC(=O)O MCULE-4645787805 [0,1,0,0,0,1|2,0,0]=4 1297 B10R0.57 COC(=O)C(N)CCC(=O)O MCULE-8573479107 [0,1,0,0,0,1|2,0,0]=4 1298 B10R0.57 COC(=O)[C@@H](N)CCC(=O)O MCULE-3694424519 [0,1,0,0,0,1|2,0,0]=4 1299 B10R0.57 COC(=O)[C@@H](N)CCC(=O)O MCULE-3908913342 [0,1,0,0,0,1|2,0,0]=4 1300 B10R0.57 COC(=O)[C@H](N)CCC(=O)O MCULE-4899971591 [0,1,0,0,0,1|2,0,0]=4 1301 B10R0.57 COC(=O)[C@H](N)CCC(=O)O MCULE-5340713177 [0,1,0,0,0,1|2,0,0]=4 1302 B10R0.57 COC(=O)[C@H](N)CCC(=O)O MCULE-6573369964 [0,1,0,0,0,1|2,0,0]=4 1303 B10R0.57 COC(=O)[C@H](N)CCC(=O)O MCULE-9402335659 [0,1,0,0,0,1|2,0,0]=4 1304 B10R0.57 NCC(=O)C(N)CCC(=O)O MCULE-6909697909 [0,1,0,0,0,1|1,0,0]=3 1305 B10R0.59 C=CC(=O)NCCC(=O)OC MCULE-8444849082 [0,1,0,0,0,1|1,0,1]=4 1306 B10R0.59 CCC(=O)CCCC(=O)OC MCULE-7955202588 [0,1,0,0,0,1|1,0,0]=3 1307 B10R0.59 COC(=O)CCCC(=O)OC MCULE-2878617545 [0,1,0,0,0,1|2,0,0]=4 1308 B10R0.59 COC(=O)CCNC(=O)CCl MCULE-5124733285 [0,1,0,0,0,1|0,1,0]=3 1309 B10R0.59 COC(=O)CNCC(=O)OC MCULE-3401515573 [0,1,0,0,0,1|2,0,0]=4 1310 B10R0.59 COC(=O)CNCC(=O)OC MCULE-3413946177 [0,1,0,0,0,1|2,0,0]=4 1311 B10R0.59 COC(=O)COCC(=O)OC MCULE-3118275828 [0,1,0,0,0,1|2,0,0]=4 1312 B10R0.59 COC(=O)CSCC(=O)OC MCULE-6016703912 [0,1,0,0,0,1|2,0,0]=4 1313 B10R0.65 CCS(=O)(=O)NCCC(=O)O MCULE-8091658527 [0,1,0,0,0,1|2,0,0]=4 1314 B10R0.82 CNC(=O)CCC(N)C(=O)O MCULE-2815144960 [0,1,0,0,0,1|2,0,0]=4 1315 B10R0.82 COC(=O)CCC(N)C(=O)O MCULE-1417445261 [0,1,0,0,0,1|2,0,0]=4 1316 B10R0.82 COC(=O)CCC(N)C(=O)O MCULE-1495018790 [0,1,0,0,0,1|2,0,0]=4 1317 B10R0.82 COC(=O)CC[C@@H](N)C(=O)O MCULE-3233905582 [0,1,0,0,0,1|2,0,0]=4 1318 B10R0.82 COC(=O)CC[C@@H](N)C(=O)O MCULE-4870656159 [0,1,0,0,0,1|2,0,0]=4 1319 B10R0.82 COC(=O)CC[C@H](N)C(=O)O MCULE-1607830290 [0,1,0,0,0,1|2,0,0]=4 1320 B10R0.82 COC(=O)CC[C@H](N)C(=O)O MCULE-7380350089 [0,1,0,0,0,1|2,0,0]=4 1321 B10R0.82 COC(=O)CC[C@H](N)C(=O)O MCULE-7654158848 [0,1,0,0,0,1|2,0,0]=4 1322 B10R0.82 COC(=O)CC[C@H](N)C(=O)O MCULE-8680968839 [0,1,0,0,0,1|2,0,0]=4 1323 B10R0.82 NC(CCC(=O)NO)C(=O)O MCULE-9353366308 [0,1,0,0,0,1|2,0,0]=4 1324 B10R0.82 NC(CCP(=O)CO)C(=O)O MCULE-2901685887 [0,1,0,0,0,1|2,0,0]=4 1325 B10R0.98 CC(C)C(=O)CCCC(=O)O MCULE-1233637144 [0,1,0,0,0,1|1,0,0]=3 1326 B10R0.98 CC(C)C(=O)NCCC(=O)O MCULE-1444181499 [0,1,0,0,0,1|1,0,0]=3 1327 B10R0.98 CN(C)C(=O)CCCC(=O)O MCULE-4460007693 [0,1,0,0,0,1|2,0,0]=4 1328 B10R0.98 CN(C)C(=O)COCC(=O)O MCULE-5393248603 [0,1,0,0,0,1|2,0,0]=4 1329 B10R0.98 CN(C)C(=O)NCCC(=O)O MCULE-8207391788 [0,1,0,0,0,1|2,0,0]=4 1330 B10R0.98 C[C@H](N)C(=O)NCCC(=O)O MCULE-5592804189 [0,1,0,0,0,1|1,0,0]=3 1331 B10R0.98 O=C(O)CCCC(=O)C(=O)O MCULE-5978557881 [0,1,0,0,0,1|1,0,1]=4 1332 B10R0.12 CC(C)(C)C(=O)CCC(=O)O MCULE-4165319809 [0,2,0,0,0,0|1,0,0]=3 1333 B10R0.12 CC(C)(C)C(=O)NCC(=O)O MCULE-9533520941 [0,2,0,0,0,0|2,0,0]=4 1334 B10R0.12 CC(C)(C)S(=O)CCC(=O)O MCULE-3865170112 [0,2,0,0,0,0|2,0,0]=4 1335 B10R0.12 O=C(Cl)CNC(=O)C(F)(F)F MCULE-4655978294 [0,2,0,0,0,0|2,0,0]=4 1336 B10R0.12 O=C(O)CCC(=O)C(F)(F)F MCULE-7879185149 [0,2,0,0,0,0|0,0,0]=2 1337 B10R0.12 O=C(O)CCC(=O)P(=O)(O)O MCULE-3743459791 [0,2,0,0,0,0|2,0,0]=4 1338 B10R0.12 O=C(O)CCC(O)C(F)(F)F MCULE-9396882251 [0,2,0,0,0,0|0,0,2]=4 1339 B10R0.12 O=C(O)CNC(=O)C(Cl)(Cl)Cl MCULE-9730321190 [0,2,0,0,0,0|1,1,0]=4 1340 B10R0.12 O=C(O)CNC(=O)C(F)(F)F MCULE-2601779669 [0,2,0,0,0,0|1,0,0]=3 1341 B10R0.13 CC(C)C(=O)N(C)CC(=O)O MCULE-5228570863 [0,2,0,0,0,0|2,0,0]=4 1342 B10R0.43 O=C(O)CCS(=O)(=O)C(Cl)Cl MCULE-8750224258 [0,2,0,0,0,0|1,1,0]=4 1343 B10R0.84 NN=C(CCC(=O)O)C(=O)O MCULE-4661582416 [0,2,0,0,0,0|2,0,0]=4 1344 B10R0.93 CC(Br)C(=O)NC(C)C(=O)O MCULE-5776998717 [0,2,0,0,0,0|1,1,0]=4 1345 B10R0.93 CC(C)C(=O)NC(C)C(=O)O MCULE-7533673008 [0,2,0,0,0,0|2,0,0]=4 1346 B10R0.93 CC(N)C(=O)NC(C)C(=O)O MCULE-1972648882 [0,2,0,0,0,0|2,0,0]=4 1347 B10R0.93 CC(N)C(=O)NC(C)C(=O)O MCULE-6846876953 [0,2,0,0,0,0|2,0,0]=4 1348 B10R0.93 CC(N)C(=O)N[C@@H](C)C(=O)O MCULE-7806300704 [0,2,0,0,0,0|2,0,0]=4 1349 B10R0.93 C[C@@H](N)C(=O)N[C@H](C)C(=O)O MCULE-5597367680 [0,2,0,0,0,0|2,0,0]=4 1350 B10R0.93 C[C@@H](N)C(=O)N[C@H](C)C(=O)O MCULE-6027234054 [0,2,0,0,0,0|2,0,0]=4 1351 B10R0.93 C[C@H](N)C(=O)N[C@@H](C)C(=O)O MCULE-2220868390 [0,2,0,0,0,0|2,0,0]=4 1352 B10R0.93 C[C@H](N)C(=O)N[C@@H](C)C(=O)O MCULE-2503008110 [0,2,0,0,0,0|2,0,0]=4 1353 B10R0.93 C[C@H](N)C(=O)N[C@@H](C)C(=O)O MCULE-8018547281 [0,2,0,0,0,0|2,0,0]=4 1354 B10R0.93 C[C@H](N)C(=O)N[C@H](C)C(=O)O MCULE-2994958309 [0,2,0,0,0,0|2,0,0]=4 1355 B10R0.93 C[C@H](N)C(=O)N[C@H](C)C(=O)O MCULE-3549079785 [0,2,0,0,0,0|2,0,0]=4 1356 B10R0.93 C[C@H](NC(=O)[C@@H](C)N)C(=O)O MCULE-2475563370 [0,2,0,0,0,0|2,0,0]=4 1357 B10R0.93 C[C@H](NC(=O)[C@@H](C)N)C(=O)O MCULE-8669956136 [0,2,0,0,0,0|2,0,0]=4 1358 B10R0.93 C[C@H](NC(=O)[C@@H](C)N)C(=O)O MCULE-9750099590 [0,2,0,0,0,0|2,0,0]=4 1359 B10R0.109 CCOC(=O)CCS(=O)(=O)O MCULE-7845227975 [0,2,0,0,0,0|2,0,0]=4 1360 B10R0.109 CCOC(=O)CCS(=O)(=O)O MCULE-9842660255 [0,2,0,0,0,0|2,0,0]=4 1361 B10R0.115 CCS(=O)(=O)CCC(=O)OC MCULE-3031623277 [0,2,0,0,0,0|2,0,0]=4 1362 B10R0.32 CCOC(=O)C(C)CC(=O)C MCULE-5239572746 [0,2,0,0,0,0|2,0,0]=4 1363 B10R0.32 CCOC(=O)C(N)CC(=O)C MCULE-5271354905 [0,2,0,0,0,0|2,0,0]=4 1364 B10R0.32 CCOC(=O)C(N)CC(=O)C MCULE-7720988971 [0,2,0,0,0,0|2,0,0]=4 1365 B10R0.32 CCOC(=O)C(N)CC(=O)N MCULE-2155920173 [0,2,0,0,0,0|2,0,0]=4 1366 B10R0.32 CCOC(=O)C(N)CC(=O)N MCULE-6061365230 [0,2,0,0,0,0|2,0,0]=4 1367 B10R0.32 CCOC(=O)N(C)CC(=O)O MCULE-9866294020 [0,2,0,0,0,0|2,0,0]=4 1368 B10R0.32 CCOC(=O)[C@@H](N)CC(=O)O MCULE-8240292825 [0,2,0,0,0,0|1,0,0]=3 1369 B10R0.32 CNCC(=O)N(C)CC(=O)O MCULE-2215254488 [0,2,0,0,0,0|2,0,0]=4 1370 B10R0.32 COCC(=O)N(C)CC(=O)O MCULE-5380620856 [0,2,0,0,0,0|2,0,0]=4 1371 B10R0.46 CCC(=O)CC(=O)C(=O)OC MCULE-9893149260 [0,2,0,0,0,0|1,0,1]=4 1372 B10R0.46 COC(=O)C(C)NC(=O)CCl MCULE-4309623908 [0,2,0,0,0,0|1,1,0]=4 1373 B10R0.46 COC(=O)CC(Br)C(=O)OC MCULE-3739337867 [0,2,0,0,0,0|2,0,0]=4 1374 B10R0.46 COC(=O)CC(C)C(=O)OC MCULE-1613501642 [0,2,0,0,0,0|2,0,0]=4 1375 B10R0.46 COC(=O)CC(N)C(=O)OC MCULE-1114099871 [0,2,0,0,0,0|2,0,0]=4 1376 B10R0.46 COC(=O)CC(N)C(=O)OC MCULE-3051634308 [0,2,0,0,0,0|2,0,0]=4 1377 B10R0.46 COC(=O)CC(N)C(=O)OC MCULE-6777150813 [0,2,0,0,0,0|2,0,0]=4 1378 B10R0.46 COC(=O)CC(N)C(=O)OC MCULE-8623143776 [0,2,0,0,0,0|2,0,0]=4 1379 B10R0.46 COC(=O)CC(O)C(=O)OC MCULE-7469251782 [0,2,0,0,0,0|2,0,0]=4 1380 B10R0.46 COC(=O)C[C@@H](C)C(=O)OC MCULE-3416186452 [0,2,0,0,0,0|2,0,0]=4 1381 B10R0.46 COC(=O)C[C@@H](C)C(=O)OC MCULE-8307638859 [0,2,0,0,0,0|2,0,0]=4 1382 B10R0.46 COC(=O)C[C@@H](N)C(=O)OC MCULE-1851128210 [0,2,0,0,0,0|2,0,0]=4 1383 B10R0.46 COC(=O)C[C@@H](N)C(=O)OC MCULE-2435405009 [0,2,0,0,0,0|2,0,0]=4 1384 B10R0.46 COC(=O)C[C@@H](N)C(=O)OC MCULE-5664472093 [0,2,0,0,0,0|2,0,0]=4 1385 B10R0.46 COC(=O)C[C@@H](N)C(=O)OC MCULE-9555102277 [0,2,0,0,0,0|2,0,0]=4 1386 B10R0.46 COC(=O)C[C@@H](O)C(=O)OC MCULE-1517388811 [0,2,0,0,0,0|2,0,0]=4 1387 B10R0.46 COC(=O)C[C@@H](O)C(=O)OC MCULE-9934344103 [0,2,0,0,0,0|2,0,0]=4 1388 B10R0.46 COC(=O)C[C@H](C)C(=O)OC MCULE-6913107439 [0,2,0,0,0,0|2,0,0]=4 1389 B10R0.46 COC(=O)C[C@H](C)C(=O)OC MCULE-7249009101 [0,2,0,0,0,0|2,0,0]=4 1390 B10R0.46 COC(=O)C[C@H](N)C(=O)OC MCULE-1761054458 [0,2,0,0,0,0|2,0,0]=4 1391 B10R0.46 COC(=O)C[C@H](N)C(=O)OC MCULE-2463653671 [0,2,0,0,0,0|2,0,0]=4 1392 B10R0.46 COC(=O)C[C@H](N)C(=O)OC MCULE-8138790792 [0,2,0,0,0,0|2,0,0]=4 1393 B10R0.46 COC(=O)C[C@H](N)C(=O)OC MCULE-9097536857 [0,2,0,0,0,0|2,0,0]=4 1394 B10R0.46 COC(=O)C[C@H](O)C(=O)OC MCULE-5763222655 [0,2,0,0,0,0|2,0,0]=4 1395 B10R0.46 COC(=O)C[C@H](O)C(=O)OC MCULE-8038750949 [0,2,0,0,0,0|2,0,0]=4 1396 B10R0.46 COC(=O)C[C@H](S)C(=O)OC MCULE-7841191977 [0,2,0,0,0,0|2,0,0]=4 1397 B10R0.46 COC(=O)[C@@H](C)NC(=O)CCl MCULE-1456953151 [0,2,0,0,0,0|1,1,0]=4 1398 B10R0.46 COC(=O)[C@@H](C)NC(=O)CCl MCULE-2364055788 [0,2,0,0,0,0|1,1,0]=4 1399 B10R0.46 COC(=O)[C@H](C)NC(=O)CCl MCULE-3639290594 [0,2,0,0,0,0|1,1,0]=4 1400 B10R0.46 COC(=O)[C@H](C)NC(=O)CCl MCULE-3767839768 [0,2,0,0,0,0|1,1,0]=4 1401 B10R0.54 CN[C@@H](CC(=O)O)C(=O)OC MCULE-4180877161 [0,2,0,0,0,0|2,0,0]=4 1402 B10R0.54 CN[C@@H](CC(=O)O)C(=O)OC MCULE-8047613409 [0,2,0,0,0,0|2,0,0]=4 1403 B10R0.56 COC(=O)C(O)C(O)C(=O)O MCULE-5767592339 [0,2,0,0,0,0|2,0,0]=4 1404 B10R0.141 COC(=O)C(C)(C)CC(=O)O MCULE-6122847743 [0,2,0,0,0,0|2,0,0]=4 1405 B10R0.45 CCC(C=O)CCC(=O)OC MCULE-4740354662 [0,2,0,0,0,0|1,0,1]=4 1406 B10R0.108 CCOC(=O)CCC(=O)CBr MCULE-4688931545 [0,2,0,0,0,0|0,1,0]=3 1407 B10R0.108 CCOC(=O)CCC(=O)CC MCULE-8002220473 [0,2,0,0,0,0|1,0,0]=3 1408 B10R0.108 CCOC(=O)CCC(=O)CCl MCULE-7997526168 [0,2,0,0,0,0|0,1,0]=3 1409 B10R0.108 CCOC(=O)CCC(=O)OC MCULE-6912505912 [0,2,0,0,0,0|1,0,0]=3 1410 B10R0.108 CCOC(=O)CNC(=O)CC MCULE-5953118002 [0,2,0,0,0,0|2,0,0]=4 1411 B10R0.108 CCOC(=O)CNC(=O)CCl MCULE-3955213419 [0,2,0,0,0,0|1,1,0]=4 1412 B10R0.108 CCOC(=O)CNC(=O)CN MCULE-2156069968 [0,2,0,0,0,0|2,0,0]=4 1413 B10R0.108 CCOC(=O)CNC(=O)CN MCULE-8638915707 [0,2,0,0,0,0|2,0,0]=4 1414 B10R0.108 CCOC(=O)CNC(=O)OC MCULE-2198648107 [0,2,0,0,0,0|2,0,0]=4 1415 B10R0.108 CCOC(=O)COC(=O)CBr MCULE-7370130031 [0,2,0,0,0,0|1,1,0]=4 1416 B10R0.108 CCOC(=O)NCC(=O)OC MCULE-4641956179 [0,2,0,0,0,0|2,0,0]=4 1417 B10R0.108 CNCC(=O)NCC(=O)OC MCULE-3294494702 [0,2,0,0,0,0|2,0,0]=4 1418 B10R0.108 CNCC(=O)NCC(=O)OC MCULE-7795310357 [0,2,0,0,0,0|2,0,0]=4 1419 B10R0.108 COC(=O)CNC(=O)CCCl MCULE-3413020826 [0,2,0,0,0,0|1,1,0]=4 1420 B10R0.108 COC(=O)CNC(=O)CCN MCULE-4558731190 [0,2,0,0,0,0|2,0,0]=4 1421 B10R0.108 COC(=O)CNC(=O)CCN MCULE-6225597626 [0,2,0,0,0,0|2,0,0]=4 1422 B10R0.26 C=C(CC(=O)OCC)C(=O)O MCULE-4101935574 [0,2,0,0,0,0|1,0,1]=4 1423 B10R0.26 C=CCS(=O)CC(N)C(=O)O MCULE-1644221115 [0,2,0,0,0,0|2,0,0]=4 1424 B10R0.26 C=CCS(=O)C[C@H](N)C(=O)O MCULE-5403139844 [0,2,0,0,0,0|2,0,0]=4 1425 B10R0.26 C=CCS(=O)C[C@H](N)C(=O)O MCULE-6091538783 [0,2,0,0,0,0|2,0,0]=4 1426 B10R0.26 C=CC[S@](=O)C[C@H](N)C(=O)O MCULE-2127698614 [0,2,0,0,0,0|2,0,0]=4 1427 B10R0.26 C=CC[S@](=O)C[C@H](N)C(=O)O MCULE-6116290976 [0,2,0,0,0,0|2,0,0]=4 1428 B10R0.26 CCCC(=O)NC(C)C(=O)O MCULE-2171690490 [0,2,0,0,0,0|2,0,0]=4 1429 B10R0.26 CCCS(=O)CC(N)C(=O)O MCULE-8745806923 [0,2,0,0,0,0|2,0,0]=4 1430 B10R0.26 CCCS(=O)C[C@H](N)C(=O)O MCULE-6968745632 [0,2,0,0,0,0|2,0,0]=4 1431 B10R0.26 CCNC(=O)NC(C)C(=O)O MCULE-3484080527 [0,2,0,0,0,0|2,0,0]=4 1432 B10R0.26 CCOC(=O)CC(Br)C(=O)C MCULE-1787389456 [0,2,0,0,0,0|2,0,0]=4 1433 B10R0.26 CCOC(=O)CC(C)C(=O)C MCULE-2715750632 [0,2,0,0,0,0|2,0,0]=4 1434 B10R0.26 CCOC(=O)CC(N)C(=O)O MCULE-1325477968 [0,2,0,0,0,0|1,0,0]=3 1435 B10R0.26 CCOC(=O)NC(C)C(=O)O MCULE-2656045762 [0,2,0,0,0,0|2,0,0]=4 1436 B10R0.26 CCOC(=O)N[C@@H](C)C(=O)O MCULE-7713689747 [0,2,0,0,0,0|2,0,0]=4 1437 B10R0.26 COCC(=O)NC(C)C(=O)O MCULE-8358486718 [0,2,0,0,0,0|2,0,0]=4 1438 B10R0.47 CC(C)(NC(=O)CCl)C(=O)O MCULE-5178073871 [0,2,0,0,0,0|1,1,0]=4 1439 B10R0.47 CCC(=O)NC(C)(C)C(=O)O MCULE-5023512518 [0,2,0,0,0,0|2,0,0]=4 1440 B10R0.47 COC(=O)CC(C)(C)C(=O)O MCULE-4222068236 [0,2,0,0,0,0|2,0,0]=4 1441 B10R0.53 CCC(NC(=O)CCl)C(=O)O MCULE-5604735564 [0,2,0,0,0,0|1,1,0]=4 1442 B10R0.53 CCC(NC(=O)CN)C(=O)O MCULE-2960630687 [0,2,0,0,0,0|2,0,0]=4 1443 B10R0.53 NCC(=O)NC(CO)C(=O)O MCULE-9704484705 [0,2,0,0,0,0|2,0,0]=4 1444 B10R0.53 NCC(=O)N[C@@H](CO)C(=O)O MCULE-4986689442 [0,2,0,0,0,0|2,0,0]=4 1445 B10R0.53 NCC(=O)N[C@@H](CS)C(=O)O MCULE-6900882033 [0,2,0,0,0,0|2,0,0]=4 1446 B10R0.53 O=C(CCl)NC(CO)C(=O)O MCULE-3786186517 [0,2,0,0,0,0|1,1,0]=4 1447 B10R0.53 O=C(CCl)N[C@@H](CO)C(=O)O MCULE-8807935269 [0,2,0,0,0,0|1,1,0]=4 1448 B10R0.53 [C@@H](CO)(NC(=O)CN)C(=O)O MCULE-7844760749 [0,2,0,0,0,0|2,0,0]=4 1449 B10R0.78 C#CCCC(=O)CCC(=O)O MCULE-9596963824 [0,2,0,0,0,0|1,0,0]=3 1450 B10R0.78 C#CCNC(=O)CCC(=O)O MCULE-7928372957 [0,2,0,0,0,0|1,0,0]=3 1451 B10R0.78 C#CCOC(=O)CCC(=O)O MCULE-1541693745 [0,2,0,0,0,0|1,0,0]=3 1452 B10R0.78 C=CCCC(=O)NCC(=O)O MCULE-4151301177 [0,2,0,0,0,0|2,0,0]=4 1453 B10R0.78 C=CCNC(=O)CCC(=O)O MCULE-9223729933 [0,2,0,0,0,0|1,0,0]=3 1454 B10R0.78 C=CCOC(=O)CCC(=O)O MCULE-8268614483 [0,2,0,0,0,0|1,0,0]=3 1455 B10R0.78 C=CCOC(=O)NCC(=O)O MCULE-9159266328 [0,2,0,0,0,0|2,0,0]=4 1456 B10R0.78 CC=CCC(=O)NCC(=O)O MCULE-8072831514 [0,2,0,0,0,0|2,0,0]=4 1457 B10R0.78 CCCCC(=O)CCC(=O)O MCULE-7337930692 [0,2,0,0,0,0|1,0,0]=3 1458 B10R0.78 CCCCC(=O)NCC(=O)O MCULE-9839707919 [0,2,0,0,0,0|2,0,0]=4 1459 B10R0.78 CCCCS(=O)CCC(=O)O MCULE-7420971633 [0,2,0,0,0,0|2,0,0]=4 1460 B10R0.78 CCCNC(=O)CCC(=O)O MCULE-3093591706 [0,2,0,0,0,0|1,0,0]=3 1461 B10R0.78 CCCOC(=O)CCC(=O)C MCULE-7738434916 [0,2,0,0,0,0|2,0,0]=4 1462 B10R0.78 N#N=NCC(=O)NCC(=O)O MCULE-2783454100 [0,2,0,0,0,0|2,0,0]=4 1463 B10R0.78 O=C(O)CCC(=O)NCCO MCULE-4471208897 [0,2,0,0,0,0|1,0,0]=3 1464 B10R0.78 O=CCCC(=O)CCC(=O)O MCULE-4413858827 [0,2,0,0,0,0|1,0,0]=3 1465 B10R0.96 CC(=O)CC(=O)CCC(=O)O MCULE-6445854186 [0,2,0,0,0,0|1,0,0]=3 1466 B10R0.96 CC(=O)CC(=O)NCC(=O)O MCULE-8793325864 [0,2,0,0,0,0|2,0,0]=4 1467 B10R0.96 CC(=O)CCC(=O)OC(C)C MCULE-4445049570 [0,2,0,0,0,0|2,0,0]=4 1468 B10R0.96 CC(C)CC(=O)NCC(=O)O MCULE-8338157738 [0,2,0,0,0,0|2,0,0]=4 1469 B10R0.96 CC(C)NC(=O)CCC(=O)O MCULE-6515821068 [0,2,0,0,0,0|1,0,0]=3 1470 B10R0.96 CC(C)NC(=O)NCC(=O)O MCULE-6956868357 [0,2,0,0,0,0|2,0,0]=4 1471 B10R0.96 CC(C)OC(=O)CCC(=O)O MCULE-2914075826 [0,2,0,0,0,0|1,0,0]=3 1472 B10R0.96 CN(C)NC(=O)CCC(=O)O MCULE-6532969482 [0,2,0,0,0,0|2,0,0]=4 1473 B10R0.105 CCCS(=O)(=O)CCC(=O)O MCULE-5637790872 [0,2,0,0,0,0|2,0,0]=4 1474 B10R0.105 O=C(O)CCS(=O)(=O)CCCl MCULE-3085325606 [0,2,0,0,0,0|1,1,0]=4 1475 B10R0.105 O=C(O)CCS(=O)(=O)CCO MCULE-1223279473 [0,2,0,0,0,0|2,0,0]=4 1476 B8R1.1 CCC1=CC(=O)CC1 MCULE-6681801286 [1,0,0,1,0,0|2,0,0]=4 1477 B8R1.1 O=C1CCC(C1)CF MCULE-9077358027 [1,0,0,1,0,0|1,0,1]=4 1478 B8R1.1 O=C1CCC(C1)CO MCULE-7524267942 [1,0,0,1,0,0|1,0,1]=4 1479 B8R1.1 O=C1CC[C@@H](C1)CO MCULE-2590805877 [1,0,0,1,0,0|1,0,1]=4 1480 B8R1.1 O=C1CC[C@@H](C1)CO MCULE-7134607780 [1,0,0,1,0,0|1,0,1]=4 1481 B8R1.1 O=CC1COC(=O)C1 MCULE-7312168752 [1,0,0,1,0,0|2,0,0]=4 1482 B8R1.3 C=C1CCC(=O)CC1 MCULE-8766071389 [1,0,0,1,0,0|2,0,0]=4 1483 B8R1.3 CC1=CCC(=O)CC1 MCULE-5396065385 [1,0,0,1,0,0|2,0,0]=4 1484 B8R1.3 O=C1CCC(=O)CC1 MCULE-5432049567 [1,0,0,1,0,0|1,0,0]=3 1485 B8R1.3 O=C1CCC(=O)NC1 MCULE-8297515560 [1,0,0,1,0,0|1,0,0]=3 1486 B8R1.3 O=C1CCC(=O)NN1 MCULE-3404255918 [1,0,0,1,0,0|2,0,0]=4 1487 B8R1.3 O=C1CCC(=O)OC1 MCULE-5478039984 [1,0,0,1,0,0|1,0,0]=3 1488 B8R1.3 O=C1CCC(CC1)O MCULE-7247867750 [1,0,0,1,0,0|1,0,1]=4 1489 B8R1.3 O=C1CCS(=O)CC1 MCULE-5385870019 [1,0,0,1,0,0|2,0,0]=4 1490 B8R1.3 O=C1CNC(=O)CN1 MCULE-7134033861 [1,0,0,1,0,0|2,0,0]=4 1491 B8R1.3 O=C1COC(=O)CN1 MCULE-4171313774 [1,0,0,1,0,0|2,0,0]=4 1492 B8R1.3 O=C1COC(=O)CO1 MCULE-8927291216 [1,0,0,1,0,0|2,0,0]=4 1493 B8R1.5 O=C1CCCCC1F MCULE-6406930837 [1,0,0,1,0,0|1,0,1]=4 1494 B8R1.5 O=C1CCNCC1F MCULE-4156323292 [1,0,0,1,0,0|2,0,0]=4 1495 B8R1.5 O=C1CCNCC1F MCULE-5488977269 [1,0,0,1,0,0|2,0,0]=4 1496 B8R1.5 O=C1CCNC[C@@H]1F MCULE-1703177711 [1,0,0,1,0,0|2,0,0]=4 1497 B8R1.5 O=C1CCNC[C@@H]1F MCULE-2722101377 [1,0,0,1,0,0|2,0,0]=4 1498 B8R1.5 O=C1CCNC[C@@H]1F MCULE-3843083136 [1,0,0,1,0,0|2,0,0]=4 1499 B8R1.5 O=C1CCNC[C@@H]1F MCULE-8423259867 [1,0,0,1,0,0|2,0,0]=4 1500 B8R1.5 O=C1CCNC[C@H]1F MCULE-4893691455 [1,0,0,1,0,0|2,0,0]=4 1501 B8R1.5 O=C1CCNC[C@H]1F MCULE-7014608979 [1,0,0,1,0,0|2,0,0]=4 1502 B8R1.5 O=C1CCOCC1F MCULE-8590362767 [1,0,0,1,0,0|2,0,0]=4 1503 B8R1.5 O=C1CCOC[C@@H]1F MCULE-3075219245 [1,0,0,1,0,0|2,0,0]=4 1504 B8R1.13 C=CCC1CCC1=O MCULE-1128394688 [1,0,0,1,0,0|2,0,0]=4 1505 B8R1.22 O=C1CCC=CCC1 MCULE-5704984437 [1,0,0,1,0,0|2,0,0]=4 1506 B8R1.22 O=C1CCCOCC1 MCULE-9595066384 [1,0,0,1,0,0|1,0,1]=4 1507 B8R1.50 CC1=C(CCC1=O)O MCULE-6367252690 [1,0,0,1,0,0|1,0,1]=4 1508 B8R1.50 CC1C(=O)CCC1=O MCULE-4418458735 [1,0,0,1,0,0|1,0,0]=3 1509 B8R1.50 CC1C(=O)COC1=O MCULE-4188541096 [1,0,0,1,0,0|2,0,0]=4 1510 B8R1.50 CN1C(=O)CCC1=O MCULE-6726005566 [1,0,0,1,0,0|2,0,0]=4 1511 B8R1.50 NN1C(=O)CCC1=O MCULE-4432056181 [1,0,0,1,0,0|2,0,0]=4 1512 B8R1.50 NN1C(=O)CCC1=O MCULE-8224510852 [1,0,0,1,0,0|2,0,0]=4 1513 B8R1.50 O=C1CCC(=C1F)O MCULE-4719137849 [1,0,0,1,0,0|0,0,1]=3 1514 B8R1.50 O=C1CCC(=O)C1Br MCULE-7463233898 [1,0,0,1,0,0|0,1,0]=3 1515 B8R1.50 O=C1CCC(=O)C1Cl MCULE-9440848782 [1,0,0,1,0,0|0,1,0]=3 1516 B8R1.50 O=C1CCC(=O)N1Br MCULE-6561724377 [1,0,0,1,0,0|1,1,0]=4 1517 B8R1.50 O=C1CCC(=O)N1Cl MCULE-3093539402 [1,0,0,1,0,0|1,1,0]=4 1518 B8R1.50 O=C1CCC(=O)N1I MCULE-8261967194 [1,0,0,1,0,0|1,1,0]=4 1519 B8R1.50 O=C1CCC(=O)N1O MCULE-5478278340 [1,0,0,1,0,0|2,0,0]=4 1520 B8R1.50 O=C1COC(=O)C1Br MCULE-7458581655 [1,0,0,1,0,0|1,1,0]=4 1521 B8R1.50 O=C1COC(=O)C1Cl MCULE-1326411169 [1,0,0,1,0,0|1,1,0]=4 1522 B8R1.4 CC1=CCCC(=O)O1 MCULE-1590433845 [1,0,0,1,0,0|1,0,1]=4 1523 B8R1.4 CC1CCCC(=O)O1 MCULE-4000069856 [1,0,0,1,0,0|1,0,1]=4 1524 B8R1.4 C[C@@H]1CCCC(=O)O1 MCULE-6306078053 [1,0,0,1,0,0|1,0,1]=4 1525 B8R1.4 C[C@@H]1CCCC(=O)O1 MCULE-7616070208 [1,0,0,1,0,0|1,0,1]=4 1526 B8R1.7 C1(CCNC1)C(=O)O MCULE-3210241958 [1,0,0,1,0,0|2,0,0]=4 1527 B8R1.7 C1(CCNC1)C(=O)O MCULE-6517290754 [1,0,0,1,0,0|2,0,0]=4 1528 B8R1.7 C1(CCOC1)C(=O)O MCULE-4859263225 [1,0,0,1,0,0|2,0,0]=4 1529 B8R1.7 O=C(O)C1C=CCC1 MCULE-8870546284 [1,0,0,1,0,0|1,0,1]=4 1530 B8R1.7 O=C(O)C1C=CCN1 MCULE-2141949922 [1,0,0,1,0,0|1,0,1]=4 1531 B8R1.7 O=C(O)C1C=CCN1 MCULE-3068035697 [1,0,0,1,0,0|1,0,1]=4 1532 B8R1.7 O=C(O)C1C=CCN1 MCULE-4825351403 [1,0,0,1,0,0|1,0,1]=4 1533 B8R1.7 O=C(O)C1C=CCN1 MCULE-9928071710 [1,0,0,1,0,0|1,0,1]=4 1534 B8R1.7 O=C(O)C1C=CCO1 MCULE-7417068170 [1,0,0,1,0,0|1,0,1]=4 1535 B8R1.7 O=C(O)C1CC=CC1 MCULE-7876630177 [1,0,0,1,0,0|1,0,1]=4 1536 B8R1.7 O=C(O)C1CCC=N1 MCULE-1792151957 [1,0,0,1,0,0|2,0,0]=4 1537 B8R1.7 O=C(O)C1CCCC1 MCULE-6415159340 [1,0,0,1,0,0|1,0,1]=4 1538 B8R1.7 O=C(O)C1CCCN1 MCULE-2229401513 [1,0,0,1,0,0|1,0,1]=4 1539 B8R1.7 O=C(O)C1CCCN1 MCULE-6305507014 [1,0,0,1,0,0|1,0,1]=4 1540 B8R1.7 O=C(O)C1CCCN1 MCULE-8387491590 [1,0,0,1,0,0|1,0,1]=4 1541 B8R1.7 O=C(O)C1CCCN1 MCULE-8611160929 [1,0,0,1,0,0|1,0,1]=4 1542 B8R1.7 O=C(O)C1CCCO1 MCULE-1952289090 [1,0,0,1,0,0|1,0,1]=4 1543 B8R1.7 O=C(O)C1CCCO1 MCULE-5387481824 [1,0,0,1,0,0|1,0,1]=4 1544 B8R1.7 O=C(O)C1CCCS1 MCULE-7760686042 [1,0,0,1,0,0|1,0,1]=4 1545 B8R1.7 O=C(O)C1CCNC1 MCULE-4976520029 [1,0,0,1,0,0|2,0,0]=4 1546 B8R1.7 O=C(O)C1CCNC1 MCULE-5937045785 [1,0,0,1,0,0|2,0,0]=4 1547 B8R1.7 O=C(O)C1CCNC1 MCULE-6983695276 [1,0,0,1,0,0|2,0,0]=4 1548 B8R1.7 O=C(O)C1CCOC1 MCULE-3567941338 [1,0,0,1,0,0|2,0,0]=4 1549 B8R1.7 O=C(O)C1CCSC1 MCULE-7898686734 [1,0,0,1,0,0|2,0,0]=4 1550 B8R1.7 O=C(O)C1COCN1 MCULE-4997392610 [1,0,0,1,0,0|2,0,0]=4 1551 B8R1.7 O=C(O)C1COCN1 MCULE-7001651226 [1,0,0,1,0,0|2,0,0]=4 1552 B8R1.7 O=C(O)C1CSCN1 MCULE-2391637686 [1,0,0,1,0,0|2,0,0]=4 1553 B8R1.7 O=C(O)C1CSCN1 MCULE-9622331370 [1,0,0,1,0,0|2,0,0]=4 1554 B8R1.7 O=C(O)[C@@H]1C=CCN1 MCULE-2515045579 [1,0,0,1,0,0|1,0,1]=4 1555 B8R1.7 O=C(O)[C@@H]1C=CCN1 MCULE-3589058117 [1,0,0,1,0,0|1,0,1]=4 1556 B8R1.7 O=C(O)[C@@H]1C=CCN1 MCULE-7995918745 [1,0,0,1,0,0|1,0,1]=4 1557 B8R1.7 O=C(O)[C@@H]1C=CCN1 MCULE-8155212892 [1,0,0,1,0,0|1,0,1]=4 1558 B8R1.7 O=C(O)[C@@H]1CCCN1 MCULE-1020921088 [1,0,0,1,0,0|1,0,1]=4 1559 B8R1.7 O=C(O)[C@@H]1CCCN1 MCULE-6398060480 [1,0,0,1,0,0|1,0,1]=4 1560 B8R1.7 O=C(O)[C@@H]1CCCN1 MCULE-6772131264 [1,0,0,1,0,0|1,0,1]=4 1561 B8R1.7 O=C(O)[C@@H]1CCCN1 MCULE-8415049837 [1,0,0,1,0,0|1,0,1]=4 1562 B8R1.7 O=C(O)[C@@H]1CCCO1 MCULE-5193388500 [1,0,0,1,0,0|1,0,1]=4 1563 B8R1.7 O=C(O)[C@@H]1CCCO1 MCULE-8181760406 [1,0,0,1,0,0|1,0,1]=4 1564 B8R1.7 O=C(O)[C@@H]1CCNC1 MCULE-3068007507 [1,0,0,1,0,0|2,0,0]=4 1565 B8R1.7 O=C(O)[C@@H]1CCNC1 MCULE-4477578687 [1,0,0,1,0,0|2,0,0]=4 1566 B8R1.7 O=C(O)[C@@H]1CCNC1 MCULE-4524201006 [1,0,0,1,0,0|2,0,0]=4 1567 B8R1.7 O=C(O)[C@@H]1CCNC1 MCULE-4868292658 [1,0,0,1,0,0|2,0,0]=4 1568 B8R1.7 O=C(O)[C@@H]1CCOC1 MCULE-4807765276 [1,0,0,1,0,0|2,0,0]=4 1569 B8R1.7 O=C(O)[C@@H]1CCOC1 MCULE-7912413581 [1,0,0,1,0,0|2,0,0]=4 1570 B8R1.7 O=C(O)[C@@H]1COCN1 MCULE-1547472283 [1,0,0,1,0,0|2,0,0]=4 1571 B8R1.7 O=C(O)[C@@H]1COCN1 MCULE-1876089066 [1,0,0,1,0,0|2,0,0]=4 1572 B8R1.7 O=C(O)[C@@H]1COCN1 MCULE-1926856350 [1,0,0,1,0,0|2,0,0]=4 1573 B8R1.7 O=C(O)[C@@H]1COCN1 MCULE-9876695932 [1,0,0,1,0,0|2,0,0]=4 1574 B8R1.7 O=C(O)[C@@H]1CSCN1 MCULE-4243406881 [1,0,0,1,0,0|2,0,0]=4 1575 B8R1.7 O=C(O)[C@@H]1CSCN1 MCULE-6343154165 [1,0,0,1,0,0|2,0,0]=4 1576 B8R1.7 O=C(O)[C@H]1C=CCN1 MCULE-2145380755 [1,0,0,1,0,0|1,0,1]=4 1577 B8R1.7 O=C(O)[C@H]1C=CCN1 MCULE-5768283844 [1,0,0,1,0,0|1,0,1]=4 1578 B8R1.7 O=C(O)[C@H]1C=CCN1 MCULE-8522372891 [1,0,0,1,0,0|1,0,1]=4 1579 B8R1.7 O=C(O)[C@H]1CCCN1 MCULE-5856142508 [1,0,0,1,0,0|1,0,1]=4 1580 B8R1.7 O=C(O)[C@H]1CCCN1 MCULE-7748032436 [1,0,0,1,0,0|1,0,1]=4 1581 B8R1.7 O=C(O)[C@H]1CCCO1 MCULE-2258024439 [1,0,0,1,0,0|1,0,1]=4 1582 B8R1.7 O=C(O)[C@H]1CCCO1 MCULE-5143953192 [1,0,0,1,0,0|1,0,1]=4 1583 B8R1.7 O=C(O)[C@H]1CCNC1 MCULE-2003400674 [1,0,0,1,0,0|2,0,0]=4 1584 B8R1.7 O=C(O)[C@H]1CCNC1 MCULE-2851087395 [1,0,0,1,0,0|2,0,0]=4 1585 B8R1.7 O=C(O)[C@H]1CCNC1 MCULE-7223432888 [1,0,0,1,0,0|2,0,0]=4 1586 B8R1.7 O=C(O)[C@H]1CCNC1 MCULE-7610384670 [1,0,0,1,0,0|2,0,0]=4 1587 B8R1.7 O=C(O)[C@H]1CCOC1 MCULE-3213766488 [1,0,0,1,0,0|2,0,0]=4 1588 B8R1.7 O=C(O)[C@H]1CCOC1 MCULE-9627397250 [1,0,0,1,0,0|2,0,0]=4 1589 B8R1.7 O=C(O)[C@H]1CSCN1 MCULE-6095527710 [1,0,0,1,0,0|2,0,0]=4 1590 B8R1.7 O=C(O)[C@H]1CSCN1 MCULE-9117444908 [1,0,0,1,0,0|2,0,0]=4 1591 B8R1.20 CC1CC1CC(=O)O MCULE-3151390667 [1,0,0,1,0,0|1,0,1]=4 1592 B8R1.31 CC1CCC1C(=O)O MCULE-2755332087 [1,0,0,1,0,0|1,0,1]=4 1593 B8R1.31 CC1NCC1C(=O)O MCULE-3701314568 [1,0,0,1,0,0|2,0,0]=4 1594 B8R1.31 C[C@@H]1NC[C@H]1C(=O)O MCULE-4996743185 [1,0,0,1,0,0|2,0,0]=4 1595 B8R1.31 C[C@@H]1NC[C@H]1C(=O)O MCULE-5548697786 [1,0,0,1,0,0|2,0,0]=4 1596 B8R1.31 NC1CCC1C(=O)O MCULE-1271890671 [1,0,0,1,0,0|1,0,1]=4 1597 B8R1.31 NC1CCC1C(=O)O MCULE-6203451123 [1,0,0,1,0,0|1,0,1]=4 1598 B8R1.31 N[C@@H]1CC[C@@H]1C(=O)O MCULE-7309195085 [1,0,0,1,0,0|1,0,1]=4 1599 B8R1.31 N[C@@H]1CC[C@H]1C(=O)O MCULE-1231832702 [1,0,0,1,0,0|1,0,1]=4 1600 B8R1.31 N[C@@H]1CC[C@H]1C(=O)O MCULE-4120413857 [1,0,0,1,0,0|1,0,1]=4 1601 B8R1.31 N[C@@H]1CC[C@H]1C(=O)O MCULE-7581321099 [1,0,0,1,0,0|1,0,1]=4 1602 B8R1.31 N[C@@H]1CC[C@H]1C(=O)O MCULE-8814127531 [1,0,0,1,0,0|1,0,1]=4 1603 B8R1.31 N[C@H]1CC[C@@H]1C(=O)O MCULE-1877122488 [1,0,0,1,0,0|1,0,1]=4 1604 B8R1.31 N[C@H]1CC[C@H]1C(=O)O MCULE-2323153571 [1,0,0,1,0,0|1,0,1]=4 1605 B8R1.31 N[C@H]1CC[C@H]1C(=O)O MCULE-3627026930 [1,0,0,1,0,0|1,0,1]=4 1606 B8R1.31 N[C@H]1CC[C@H]1C(=O)O MCULE-3814908416 [1,0,0,1,0,0|1,0,1]=4 1607 B8R1.31 N[C@H]1CC[C@H]1C(=O)O MCULE-8552378194 [1,0,0,1,0,0|1,0,1]=4 1608 B8R1.31 O=C(O)C1CCC1F MCULE-6928594613 [1,0,0,1,0,0|0,0,1]=3 1609 B8R1.31 O=C(O)C1CCC1O MCULE-5612797663 [1,0,0,1,0,0|1,0,1]=4 1610 B8R1.31 O=C(O)[C@@H]1CC[C@H]1O MCULE-4502275905 [1,0,0,1,0,0|1,0,1]=4 1611 B8R1.31 O=C(O)[C@H]1CC[C@@H]1O MCULE-1446557503 [1,0,0,1,0,0|1,0,1]=4 1612 B8R1.31 [C@@H]1(CC[C@@H]1C(=O)O)N MCULE-3693378535 [1,0,0,1,0,0|1,0,1]=4 1613 B8R1.31 [C@@H]1(CC[C@@H]1C(=O)O)N MCULE-4998471402 [1,0,0,1,0,0|1,0,1]=4 1614 B8R1.31 [C@@H]1(CC[C@H]1C(=O)O)N MCULE-1179436878 [1,0,0,1,0,0|1,0,1]=4 1615 B8R1.31 [C@@H]1(CC[C@H]1C(=O)O)N MCULE-6666180327 [1,0,0,1,0,0|1,0,1]=4 1616 B8R1.34 O=C(O)CC1CCC1 MCULE-3720911045 [1,0,0,1,0,0|1,0,1]=4 1617 B8R1.34 O=C(O)CC1CCN1 MCULE-4161960358 [1,0,0,1,0,0|1,0,1]=4 1618 B8R1.34 O=C(O)CC1CCO1 MCULE-7021545652 [1,0,0,1,0,0|1,0,1]=4 1619 B8R1.35 O=C(O)CCC1CC1 MCULE-1377442346 [1,0,0,1,0,0|1,0,1]=4 1620 B8R1.35 O=C(O)CCC1CO1 MCULE-1859826371 [1,0,0,1,0,0|1,0,1]=4 1621 B8R1.43 CCC1CC1C(=O)O MCULE-2993174891 [1,0,0,1,0,0|1,0,1]=4 1622 B8R1.43 CC[C@@H]1C[C@H]1C(=O)O MCULE-8944777861 [1,0,0,1,0,0|1,0,1]=4 1623 B8R1.43 NCC1CC1C(=O)O MCULE-8216751454 [1,0,0,1,0,0|1,0,1]=4 1624 B8R1.43 NC[C@@H]1C[C@H]1C(=O)O MCULE-3415372050 [1,0,0,1,0,0|1,0,1]=4 1625 B8R1.43 NC[C@@H]1C[C@H]1C(=O)O MCULE-6765918556 [1,0,0,1,0,0|1,0,1]=4 1626 B8R1.43 O=C(O)C1CC1CCl MCULE-8596410287 [1,0,0,1,0,0|0,1,1]=4 1627 B8R1.43 O=C(O)C1CC1CF MCULE-8263605468 [1,0,0,1,0,0|0,0,1]=3 1628 B8R1.43 O=C(O)C1CC1CO MCULE-5433690867 [1,0,0,1,0,0|1,0,1]=4 1629 B8R1.43 O=C(O)[C@@H]1C[C@H]1CCl MCULE-7560724994 [1,0,0,1,0,0|0,1,1]=4 1630 B8R1.43 O=C(O)[C@@H]1C[C@H]1CO MCULE-9657133495 [1,0,0,1,0,0|1,0,1]=4 1631 B8R1.43 O=C(O)[C@H]1C[C@@H]1CO MCULE-1395497386 [1,0,0,1,0,0|1,0,1]=4 1632 B8R1.23 C1(CC(=O)N1)C(=O)O MCULE-3416083471 [1,0,0,1,0,0|1,0,0]=3 1633 B8R1.23 C=C1CC(C1)C(=O)C MCULE-4738657819 [1,0,0,1,0,0|2,0,0]=4 1634 B8R1.23 C=C1CC(C1)C(=O)Cl MCULE-2176633503 [1,0,0,1,0,0|2,0,0]=4 1635 B8R1.23 C=C1CC(C1)C(=O)N MCULE-9592937262 [1,0,0,1,0,0|2,0,0]=4 1636 B8R1.23 C=C1CC(C1)C(=O)O MCULE-6435857280 [1,0,0,1,0,0|1,0,0]=3 1637 B8R1.23 CC(=O)C1CC(C1)O MCULE-1249992642 [1,0,0,1,0,0|1,0,1]=4 1638 B8R1.23 CC(=O)N1CC(=O)C1 MCULE-4555368577 [1,0,0,1,0,0|2,0,0]=4 1639 B8R1.23 CC1CC(C1)C(=O)O MCULE-2185016477 [1,0,0,1,0,0|1,0,1]=4 1640 B8R1.23 CC1CC(N1)C(=O)O MCULE-2803934033 [1,0,0,1,0,0|1,0,1]=4 1641 B8R1.23 CN1CC(C1)C(=O)O MCULE-8825389553 [1,0,0,1,0,0|2,0,0]=4 1642 B8R1.23 C[C@@H]1C[C@H](N1)C(=O)O MCULE-6318758002 [1,0,0,1,0,0|1,0,1]=4 1643 B8R1.23 C[C@H]1C[C@@H](C1)C(=O)O MCULE-1777784731 [1,0,0,1,0,0|1,0,1]=4 1644 B8R1.23 C[C@H]1C[C@H](C1)C(=O)O MCULE-8951813405 [1,0,0,1,0,0|1,0,1]=4 1645 B8R1.23 C[C@H]1C[C@H](N1)C(=O)O MCULE-2969381793 [1,0,0,1,0,0|1,0,1]=4 1646 B8R1.23 NC1CC(C1)C(=O)O MCULE-8750839632 [1,0,0,1,0,0|1,0,1]=4 1647 B8R1.23 NC1CC(C1)C(=O)O MCULE-9051964103 [1,0,0,1,0,0|1,0,1]=4 1648 B8R1.23 N[C@H]1C[C@@H](C1)C(=O)O MCULE-1844060803 [1,0,0,1,0,0|1,0,1]=4 1649 B8R1.23 N[C@H]1C[C@@H](C1)C(=O)O MCULE-2707924504 [1,0,0,1,0,0|1,0,1]=4 1650 B8R1.23 N[C@H]1C[C@H](C1)C(=O)O MCULE-3847725342 [1,0,0,1,0,0|1,0,1]=4 1651 B8R1.23 N[C@H]1C[C@H](C1)C(=O)O MCULE-4578532365 [1,0,0,1,0,0|1,0,1]=4 1652 B8R1.23 O=C(O)C1CC(C1)Br MCULE-8162503332 [1,0,0,1,0,0|1,0,1]=4 1653 B8R1.23 O=C(O)C1CC(C1)Cl MCULE-7489933597 [1,0,0,1,0,0|1,0,1]=4 1654 B8R1.23 O=C(O)C1CC(C1)F MCULE-7905028761 [1,0,0,1,0,0|1,0,1]=4 1655 B8R1.23 O=C(O)C1CC(C1)O MCULE-4341192467 [1,0,0,1,0,0|0,0,2]=4 1656 B8R1.23 O=C(O)[C@H]1C[C@@H](C1)Br MCULE-1173253398 [1,0,0,1,0,0|1,0,1]=4 1657 B8R1.23 O=C(O)[C@H]1C[C@@H](C1)F MCULE-4909435716 [1,0,0,1,0,0|1,0,1]=4 1658 B8R1.23 O=C(O)[C@H]1C[C@@H](C1)O MCULE-9908072079 [1,0,0,1,0,0|0,0,2]=4 1659 B8R1.23 O=C(O)[C@H]1C[C@H](C1)Br MCULE-9142067708 [1,0,0,1,0,0|1,0,1]=4 1660 B8R1.23 O=C(O)[C@H]1C[C@H](C1)F MCULE-7816380416 [1,0,0,1,0,0|1,0,1]=4 1661 B8R1.23 O=C(O)[C@H]1C[C@H](C1)O MCULE-5181925767 [1,0,0,1,0,0|0,0,2]=4 1662 B8R1.23 O=C1CC(C1)C(=O)Cl MCULE-5261758509 [1,0,0,1,0,0|1,0,0]=3 1663 B8R1.23 O=C1CC(C1)C(=O)O MCULE-8672788982 [1,0,0,1,0,0|0,0,0]=2 1664 B8R1.23 O=C1CC(N1)C(=O)O MCULE-3167823583 [1,0,0,1,0,0|1,0,0]=3 1665 B8R1.23 O=C1CC(O1)C(=O)O MCULE-1791104685 [1,0,0,1,0,0|1,0,0]=3 1666 B8R1.23 O=C1C[C@@H](N1)C(=O)O MCULE-2118093307 [1,0,0,1,0,0|1,0,0]=3 1667 B8R1.23 O=C1C[C@@H](N1)C(=O)O MCULE-7784171286 [1,0,0,1,0,0|1,0,0]=3 1668 B8R1.23 O=C1C[C@H](N1)C(=O)O MCULE-1255798587 [1,0,0,1,0,0|1,0,0]=3 1669 B8R1.23 O=C1C[C@H](N1)C(=O)O MCULE-6947698869 [1,0,0,1,0,0|1,0,0]=3 1670 B8R1.23 [C@@H]1(C[C@@H](C1)C(=O)O)Cl MCULE-4605935494 [1,0,0,1,0,0|1,0,1]=4 1671 B8R1.51 CC1(CCC(=O)O1)C MCULE-3069658569 [1,0,0,1,0,0|1,0,1]=4 1672 B8R1.51 CP1(=O)CCC(=O)O1 MCULE-3689691243 [1,0,0,1,0,0|1,0,0]=3 1673 B8R1.51 O=C1CCS(=O)(=O)C1 MCULE-8153139552 [1,0,0,1,0,0|1,0,1]=4 1674 B8R1.51 O=C1CCS(=O)(=O)O1 MCULE-1696670151 [1,0,0,1,0,0|2,0,0]=4 1675 B8R1.77 CC1(CC1C(=O)O)Br MCULE-8354202393 [1,0,0,1,0,0|1,0,1]=4 1676 B8R1.77 CC1(CC1C(=O)O)C MCULE-1018303180 [1,0,0,1,0,0|1,0,1]=4 1677 B8R1.77 CC1(C[C@@H]1C(=O)O)C MCULE-8058233700 [1,0,0,1,0,0|1,0,1]=4 1678 B8R1.77 CC1(C[C@@H]1C(=O)O)C MCULE-8306311088 [1,0,0,1,0,0|1,0,1]=4 1679 B8R1.77 CC1(C[C@H]1C(=O)O)C MCULE-1908265175 [1,0,0,1,0,0|1,0,1]=4 1680 B8R1.77 O=C(O)C1CC1(F)Cl MCULE-3259140974 [1,0,0,1,0,0|1,0,1]=4 1681 B8R1.77 O=C(O)C1CC1(F)F MCULE-2294378507 [1,0,0,1,0,0|1,0,1]=4 1682 B8R1.77 O=C(O)C1CC1(F)F MCULE-7749595525 [1,0,0,1,0,0|1,0,1]=4 1683 B8R1.77 O=C(O)[C@@H]1CC1(F)F MCULE-1169025364 [1,0,0,1,0,0|1,0,1]=4 1684 B8R1.77 O=C(O)[C@@H]1CC1(F)F MCULE-8477839387 [1,0,0,1,0,0|1,0,1]=4 1685 B8R1.77 O=C(O)[C@H]1CC1(F)F MCULE-4058307455 [1,0,0,1,0,0|1,0,1]=4 1686 B8R1.77 O=C(O)[C@H]1CC1(F)F MCULE-5570539448 [1,0,0,1,0,0|1,0,1]=4 1687 B8R1.18 CC1NC(=O)CC1=O MCULE-3973500509 [0,0,0,1,1,0|2,0,0]=4 1688 B8R1.18 CC1OC(=O)NC1=O MCULE-8191598152 [0,0,0,1,1,0|2,0,0]=4 1689 B10R1.13 C=C1CCC(CC1)C(=O)O MCULE-9520777832 [0,0,0,1,0,1|2,0,0]=4 1690 B10R1.13 CC(=O)N1CCC(=O)CC1 MCULE-4679585330 [0,0,0,1,0,1|2,0,0]=4 1691 B10R1.13 CC1=CCC(CC1)C(=O)O MCULE-8997751425 [0,0,0,1,0,1|2,0,0]=4 1692 B10R1.13 NC(=O)C1CCC(=O)CC1 MCULE-8335948190 [0,0,0,1,0,1|2,0,0]=4 1693 B10R1.13 NC(=O)N1CCC(=O)CC1 MCULE-3885416966 [0,0,0,1,0,1|2,0,0]=4 1694 B10R1.13 O=C(O)C1CC=C(CC1)Br MCULE-3957085478 [0,0,0,1,0,1|2,0,0]=4 1695 B10R1.13 O=C(O)C1CC=C(CC1)F MCULE-5924974191 [0,0,0,1,0,1|2,0,0]=4 1696 B10R1.13 O=C1CCC(=NN1)C(=O)O MCULE-1818973372 [0,0,0,1,0,1|2,0,0]=4 1697 B10R1.13 O=C1CCC(CC1)C(=O)Cl MCULE-9307268152 [0,0,0,1,0,1|2,0,0]=4 1698 B10R1.13 O=C1CCC(CC1)C(=O)O MCULE-3268045048 [0,0,0,1,0,1|1,0,0]=3 1699 B10R1.13 O=C1CCC(CN1)C(=O)O MCULE-9788917215 [0,0,0,1,0,1|1,0,0]=3 1700 B10R1.13 O=C1CCC(NC1)C(=O)O MCULE-4067834062 [0,0,0,1,0,1|1,0,0]=3 1701 B10R1.13 O=C1CCC(NC1)C(=O)O MCULE-8147757527 [0,0,0,1,0,1|1,0,0]=3 1702 B10R1.13 O=C1CCN(CC1)C(=O)Cl MCULE-2916786260 [0,0,0,1,0,1|2,0,0]=4 1703 B10R1.13 O=C1CC[C@@H](CN1)C(=O)O MCULE-3191286949 [0,0,0,1,0,1|1,0,0]=3 1704 B10R1.13 O=C1CC[C@@H](CN1)C(=O)O MCULE-9692186311 [0,0,0,1,0,1|1,0,0]=3 1705 B10R1.13 O=C1CC[C@@H](NC1)C(=O)O MCULE-4350301488 [0,0,0,1,0,1|1,0,0]=3 1706 B10R1.13 O=C1CC[C@@H](NC1)C(=O)O MCULE-6122427477 [0,0,0,1,0,1|1,0,0]=3 1707 B10R1.13 O=C1CC[C@@H](NC1)C(=O)O MCULE-7864506900 [0,0,0,1,0,1|1,0,0]=3 1708 B10R1.13 O=C1CC[C@@H](NC1)C(=O)O MCULE-8690683788 [0,0,0,1,0,1|1,0,0]=3 1709 B10R1.13 O=C1CC[C@H](CN1)C(=O)O MCULE-6590332785 [0,0,0,1,0,1|1,0,0]=3 1710 B10R1.13 O=C1CC[C@H](NC1)C(=O)O MCULE-2845724258 [0,0,0,1,0,1|1,0,0]=3 1711 B10R1.13 O=C1CC[C@H](NC1)C(=O)O MCULE-4534690891 [0,0,0,1,0,1|1,0,0]=3 1712 B10R1.13 O=C1CC[C@H](NC1)C(=O)O MCULE-5755683417 [0,0,0,1,0,1|1,0,0]=3 1713 B10R1.13 O=C1CC[C@H](NC1)C(=O)O MCULE-6015971784 [0,0,0,1,0,1|1,0,0]=3 1714 B10R1.13 O=C1CNC(CN1)C(=O)O MCULE-1011618274 [0,0,0,1,0,1|1,0,0]=3 1715 B10R1.13 O=C1CNC(CN1)C(=O)O MCULE-9345081526 [0,0,0,1,0,1|1,0,0]=3 1716 B10R1.13 O=C1CN[C@@H](CN1)C(=O)O MCULE-1270509503 [0,0,0,1,0,1|1,0,0]=3 1717 B10R1.13 O=C1CN[C@@H](CN1)C(=O)O MCULE-5912128916 [0,0,0,1,0,1|1,0,0]=3 1718 B10R1.13 O=C1CN[C@@H](CN1)C(=O)O MCULE-6974754540 [0,0,0,1,0,1|1,0,0]=3 1719 B10R1.13 O=C1CN[C@@H](CN1)C(=O)O MCULE-9137341829 [0,0,0,1,0,1|1,0,0]=3 1720 B10R1.13 O=C1CN[C@H](CN1)C(=O)O MCULE-8928326150 [0,0,0,1,0,1|1,0,0]=3 1721 B10R1.14 COC(=O)C1CCC(=O)O1 MCULE-7228187740 [0,0,0,1,0,1|2,0,0]=4 1722 B10R1.14 COC(=O)C1CNC(=O)O1 MCULE-2096777093 [0,0,0,1,0,1|2,0,0]=4 1723 B10R1.14 COC(=O)[C@@H]1CCC(=O)O1 MCULE-7346796735 [0,0,0,1,0,1|2,0,0]=4 1724 B10R1.14 COC(=O)[C@@H]1CNC(=O)O1 MCULE-1667021734 [0,0,0,1,0,1|2,0,0]=4 1725 B10R1.14 COC(=O)[C@@H]1CNC(=O)O1 MCULE-9531113453 [0,0,0,1,0,1|2,0,0]=4 1726 B10R1.14 COC(=O)[C@H]1CCC(=O)O1 MCULE-2949058133 [0,0,0,1,0,1|2,0,0]=4 1727 B10R1.14 COC(=O)[C@H]1CCC(=O)O1 MCULE-7663400355 [0,0,0,1,0,1|2,0,0]=4 1728 B10R1.14 NCC(=O)N1CCC(=O)C1 MCULE-2201642206 [0,0,0,1,0,1|2,0,0]=4 1729 B10R1.14 O=C1CCN(C1)C(=O)CCl MCULE-5414041375 [0,0,0,1,0,1|1,1,0]=4 1730 B10R1.14 [C@H]1(CCC(=O)O1)C(=O)OC MCULE-8761301192 [0,0,0,1,0,1|2,0,0]=4 1731 B10R1.54 CC(=O)CC1CCC(=O)N1 MCULE-5590242632 [0,0,0,1,0,1|2,0,0]=4 1732 B10R1.54 O=C(O)CC1=NC(=O)CS1 MCULE-1484851404 [0,0,0,1,0,1|1,0,1]=4 1733 B10R1.54 O=C(O)CC1CCC(=O)C1 MCULE-8065311815 [0,0,0,1,0,1|1,0,0]=3 1734 B10R1.54 O=C(O)CC1CCC(=O)N1 MCULE-4378271581 [0,0,0,1,0,1|1,0,0]=3 1735 B10R1.54 O=C(O)CC1CCC(=O)O1 MCULE-3722776234 [0,0,0,1,0,1|1,0,0]=3 1736 B10R1.54 O=C(O)CC1CNC(=O)C1 MCULE-1228415378 [0,0,0,1,0,1|2,0,0]=4 1737 B10R1.54 O=C(O)CC1COC(=O)C1 MCULE-9024324984 [0,0,0,1,0,1|2,0,0]=4 1738 B10R1.54 O=C(O)CN1CCC(=O)C1 MCULE-1558139461 [0,0,0,1,0,1|1,0,0]=3 1739 B10R1.54 O=C(O)CN1CCC(=O)C1 MCULE-6202445610 [0,0,0,1,0,1|1,0,0]=3 1740 B10R1.54 O=C(O)C[C@@H]1CCC(=O)N1 MCULE-2294433482 [0,0,0,1,0,1|1,0,0]=3 1741 B10R1.54 O=C(O)C[C@@H]1CCC(=O)N1 MCULE-6637712682 [0,0,0,1,0,1|1,0,0]=3 1742 B10R1.54 O=C(O)C[C@H]1CCC(=O)C1 MCULE-1700675888 [0,0,0,1,0,1|1,0,0]=3 1743 B10R1.54 O=C(O)C[C@H]1CCC(=O)C1 MCULE-3179723751 [0,0,0,1,0,1|1,0,0]=3 1744 B10R1.54 O=C(O)C[C@H]1CCC(=O)N1 MCULE-1080082151 [0,0,0,1,0,1|1,0,0]=3 1745 B10R1.54 O=C(O)C[C@H]1CCC(=O)N1 MCULE-2947978966 [0,0,0,1,0,1|1,0,0]=3 1746 B10R1.54 O=C(O)C[C@H]1COC(=O)N1 MCULE-1807368276 [0,0,0,1,0,1|2,0,0]=4 1747 B10R1.79 O=C1CCCC(=O)CCC1 MCULE-2006786254 [0,0,0,1,0,1|2,0,0]=4 1748 B10R1.194 CC1C(=O)OCC1C(=O)O MCULE-8491867617 [0,0,0,1,0,1|1,0,0]=3 1749 B10R1.194 CN1C(=O)CCC1C(=O)O MCULE-1836057812 [0,0,0,1,0,1|2,0,0]=4 1750 B10R1.194 CN1C(=O)CCC1C(=O)O MCULE-7449426037 [0,0,0,1,0,1|2,0,0]=4 1751 B10R1.194 CN1C(=O)CC[C@@H]1C(=O)O MCULE-5515047051 [0,0,0,1,0,1|2,0,0]=4 1752 B10R1.194 CN1C(=O)CC[C@@H]1C(=O)O MCULE-6485454128 [0,0,0,1,0,1|2,0,0]=4 1753 B10R1.194 CN1C(=O)CC[C@H]1C(=O)O MCULE-7960298498 [0,0,0,1,0,1|2,0,0]=4 1754 B10R1.194 CN1C(=O)CC[C@H]1C(=O)O MCULE-9649189424 [0,0,0,1,0,1|2,0,0]=4 1755 B10R1.194 CN1C(=O)NCC1C(=O)O MCULE-2621049135 [0,0,0,1,0,1|2,0,0]=4 1756 B10R1.194 CN1C(=O)OCC1C(=O)O MCULE-8242069751 [0,0,0,1,0,1|2,0,0]=4 1757 B10R1.408 CNC(=O)C1CC1C(=O)O MCULE-5991575859 [0,0,0,1,0,1|2,0,0]=4 1758 B10R1.408 CNC(=O)[C@H]1C[C@@H]1C(=O)O MCULE-5485938531 [0,0,0,1,0,1|2,0,0]=4 1759 B10R1.408 COC(=O)C1CC1C(=O)O MCULE-7866234212 [0,0,0,1,0,1|2,0,0]=4 1760 B10R1.408 COC(=O)[C@@H]1C[C@@H]1C(=O)O MCULE-3699835184 [0,0,0,1,0,1|2,0,0]=4 1761 B10R1.408 COC(=O)[C@@H]1C[C@@H]1C(=O)O MCULE-8154738068 [0,0,0,1,0,1|2,0,0]=4 1762 B10R1.408 COC(=O)[C@@H]1C[C@H]1C(=O)O MCULE-5512209759 [0,0,0,1,0,1|2,0,0]=4 1763 B10R1.408 COC(=O)[C@@H]1C[C@H]1C(=O)O MCULE-9728286418 [0,0,0,1,0,1|2,0,0]=4 1764 B10R1.408 COC(=O)[C@H]1C[C@@H]1C(=O)O MCULE-2394122729 [0,0,0,1,0,1|2,0,0]=4 1765 B10R1.408 COC(=O)[C@H]1C[C@H]1C(=O)O MCULE-9017164187 [0,0,0,1,0,1|2,0,0]=4 1766 B10R1.408 [C@H]1(C[C@H]1C(=O)OC)C(=O)O MCULE-5989838336 [0,0,0,1,0,1|2,0,0]=4 1767 B10R1.58 CN1CC(CC1=O)C(=O)O MCULE-2604682023 [0,1,0,1,0,0|2,0,0]=4 1768 B10R1.58 CN1C[C@@H](CC1=O)C(=O)O MCULE-4410278134 [0,1,0,1,0,0|2,0,0]=4 1769 B10R1.58 O=C(O)C1CC(=O)N(C1)O MCULE-1951815385 [0,1,0,1,0,0|2,0,0]=4 1770 B10R1.58 O=C(O)[C@@H]1C[C@H](C(=O)N1)F MCULE-3594620408 [0,1,0,1,0,0|1,0,0]=3 1771 B10R1.58 O=C(O)[C@@H]1C[C@H](C(=O)N1)F MCULE-7616817872 [0,1,0,1,0,0|1,0,0]=3 1772 B10R1.58 O=C1NC(CC1F)C(=O)O MCULE-5782471146 [0,1,0,1,0,0|1,0,0]=3 1773 B10R1.58 O=C1N[C@@H](C[C@@H]1F)C(=O)O MCULE-5667846232 [0,1,0,1,0,0|1,0,0]=3 1774 B10R1.58 O=C1N[C@@H](C[C@@H]1F)C(=O)O MCULE-8319847079 [0,1,0,1,0,0|1,0,0]=3 1775 B10R1.83 CC1(C(=O)CC1C(=O)O)C MCULE-8654161103 [0,1,0,1,0,0|1,0,0]=3 1776 B10R1.83 CC1(C(=O)C[C@@H]1C(=O)O)C MCULE-2127863353 [0,1,0,1,0,0|1,0,0]=3 1777 B10R1.120 CC1(NC(=O)CCC1=O)C MCULE-9175316958 [0,1,0,1,0,0|2,0,0]=4 1778 B10R1.211 O=C(O)CCC(=O)C1CC1 MCULE-1941504047 [0,1,0,1,0,0|1,0,0]=3 1779 B10R1.211 O=C(O)CNC(=O)C1CC1 MCULE-5686127172 [0,1,0,1,0,0|2,0,0]=4 1780 B10R1.332 CN1CCC(=O)CCC1=O MCULE-5398192848 [0,1,0,1,0,0|2,0,0]=4 1781 B10R1.349 O=C(O)C1CC(C1)C(F)F MCULE-1152884489 [0,1,0,1,0,0|1,0,1]=4 1782 B10R1.349 O=C(O)[C@H]1C[C@@H](C1)C(F)F MCULE-9825305752 [0,1,0,1,0,0|1,0,1]=4 1783 B10R1.352 O=C(O)CCC1CC1(F)F MCULE-8332200330 [0,1,0,1,0,0|1,0,1]=4 1784 B10R1.359 O=C(O)C1CCS(=O)(=O)C1 MCULE-3551776261 [0,1,0,1,0,0|2,0,0]=4 1785 B10R1.470 CC1(CCC(=O)C1)C(=O)O MCULE-8301527257 [0,1,0,1,0,0|1,0,0]=3 1786 B10R1.470 CC1(CCC(=O)N1)C(=O)O MCULE-6271364258 [0,1,0,1,0,0|2,0,0]=4 1787 B10R1.470 CC1(CCC(=O)O1)C(=O)O MCULE-2009596037 [0,1,0,1,0,0|2,0,0]=4 1788 B10R1.470 CC1(CNC(=O)C1)C(=O)O MCULE-2188595466 [0,1,0,1,0,0|2,0,0]=4 1789 B10R1.470 C[C@@]1(CCC(=O)N1)C(=O)O MCULE-6399167225 [0,1,0,1,0,0|2,0,0]=4 1790 B10R1.470 C[C@@]1(CCC(=O)N1)C(=O)O MCULE-7144294782 [0,1,0,1,0,0|2,0,0]=4 1791 B10R1.470 C[C@]1(CCC(=O)N1)C(=O)O MCULE-6153592913 [0,1,0,1,0,0|2,0,0]=4 1792 B10R1.470 C[C@]1(CCC(=O)N1)C(=O)O MCULE-6971506580 [0,1,0,1,0,0|2,0,0]=4 1793 B10R1.64 O=C(Cl)CC1CCCC1=O MCULE-7029776897 [0,1,0,1,0,0|2,0,0]=4 1794 B10R1.64 O=C(O)CC1CCCC1=O MCULE-9371811615 [0,1,0,1,0,0|1,0,0]=3 1795 B10R1.64 O=C(O)CC1CCNC1=O MCULE-4096969007 [0,1,0,1,0,0|1,0,0]=3 1796 B10R1.64 O=C(O)CN1CCCC1=O MCULE-3122232316 [0,1,0,1,0,0|2,0,0]=4 1797 B10R1.64 O=C(O)CN1CCNC1=O MCULE-3675229228 [0,1,0,1,0,0|2,0,0]=4 1798 B10R1.64 O=C(O)CN1CCOC1=O MCULE-4152481351 [0,1,0,1,0,0|2,0,0]=4 1799 B10R1.64 O=C(O)CN1CCSC1=O MCULE-7099861777 [0,1,0,1,0,0|2,0,0]=4 1800 B10R1.64 O=C(O)CN1CSCC1=O MCULE-8731328410 [0,1,0,1,0,0|2,0,0]=4 1801 B10R1.71 O=C1CCC(=O)OCCO1 MCULE-7142989558 [0,1,0,1,0,0|1,0,0]=3 1802 B10R1.113 CC(=O)C1CCNC(=O)C1 MCULE-9774471516 [0,1,0,1,0,0|2,0,0]=4 1803 B10R1.113 CC1=CCCC(C1)C(=O)O MCULE-1528958679 [0,1,0,1,0,0|2,0,0]=4 1804 B10R1.113 NC(=O)C1CCCC(=O)C1 MCULE-3502536681 [0,1,0,1,0,0|2,0,0]=4 1805 B10R1.113 O=C(O)C1CS(=O)CCN1 MCULE-2725116552 [0,1,0,1,0,0|2,0,0]=4 1806 B10R1.113 O=C(O)C1CS(=O)CCN1 MCULE-7493333189 [0,1,0,1,0,0|2,0,0]=4 1807 B10R1.113 O=C1C=CCC(C1)C(=O)O MCULE-3511234259 [0,1,0,1,0,0|1,0,1]=4 1808 B10R1.113 O=C1CC(CCN1)C(=O)O MCULE-8037650535 [0,1,0,1,0,0|1,0,0]=3 1809 B10R1.113 O=C1CC(CNN1)C(=O)O MCULE-4653652849 [0,1,0,1,0,0|2,0,0]=4 1810 B10R1.113 O=C1CC(CNN1)C(=O)O MCULE-5555795045 [0,1,0,1,0,0|2,0,0]=4 1811 B10R1.113 O=C1CCCC(C1)C(=O)O MCULE-6286773194 [0,1,0,1,0,0|1,0,0]=3 1812 B10R1.113 O=C1CCCC(N1)C(=O)O MCULE-9444010827 [0,1,0,1,0,0|2,0,0]=4 1813 B10R1.113 O=C1CCCC(N1)C(=O)O MCULE-9607599809 [0,1,0,1,0,0|2,0,0]=4 1814 B10R1.113 O=C1CCC[C@@H](C1)C(=O)O MCULE-5396925186 [0,1,0,1,0,0|1,0,0]=3 1815 B10R1.113 O=C1CCC[C@@H](N1)C(=O)O MCULE-3091454903 [0,1,0,1,0,0|2,0,0]=4 1816 B10R1.113 O=C1CCC[C@@H](N1)C(=O)O MCULE-5853502175 [0,1,0,1,0,0|2,0,0]=4 1817 B10R1.113 O=C1CCC[C@H](C1)C(=O)O MCULE-8936667281 [0,1,0,1,0,0|1,0,0]=3 1818 B10R1.113 O=C1CCC[C@H](N1)C(=O)O MCULE-6509598163 [0,1,0,1,0,0|2,0,0]=4 1819 B10R1.113 O=C1CCC[C@H](N1)C(=O)O MCULE-7646943695 [0,1,0,1,0,0|2,0,0]=4 1820 B10R1.113 O=C1CCNC(C1)C(=O)O MCULE-6916176336 [0,1,0,1,0,0|1,0,0]=3 1821 B10R1.113 O=C1CCNC(C1)C(=O)O MCULE-9262761817 [0,1,0,1,0,0|1,0,0]=3 1822 B10R1.113 O=C1CCN[C@@H](C1)C(=O)O MCULE-1115212106 [0,1,0,1,0,0|1,0,0]=3 1823 B10R1.113 O=C1CCN[C@@H](C1)C(=O)O MCULE-5896394571 [0,1,0,1,0,0|1,0,0]=3 1824 B10R1.113 O=C1CCN[C@@H](C1)C(=O)O MCULE-5937606037 [0,1,0,1,0,0|1,0,0]=3 1825 B10R1.113 O=C1CCN[C@@H](C1)C(=O)O MCULE-7073629862 [0,1,0,1,0,0|1,0,0]=3 1826 B10R1.113 O=C1CNCC(N1)C(=O)O MCULE-4117148380 [0,1,0,1,0,0|2,0,0]=4 1827 B10R1.113 O=C1CNC[C@@H](N1)C(=O)O MCULE-3006600193 [0,1,0,1,0,0|2,0,0]=4 1828 B10R1.113 O=C1CNC[C@H](N1)C(=O)O MCULE-4345470043 [0,1,0,1,0,0|2,0,0]=4 1829 B10R1.113 O=C1CSCC(N1)C(=O)O MCULE-7630386798 [0,1,0,1,0,0|2,0,0]=4 1830 B10R1.113 O=C1CSC[C@H](N1)C(=O)O MCULE-1412113570 [0,1,0,1,0,0|2,0,0]=4 1831 B10R1.113 O=C1C[C@@H](CCN1)C(=O)O MCULE-5205458306 [0,1,0,1,0,0|1,0,0]=3 1832 B10R1.113 O=C1C[C@H](CCN1)C(=O)O MCULE-6254957663 [0,1,0,1,0,0|1,0,0]=3 1833 B10R1.113 O=C1C[C@H](CCN1)C(=O)O MCULE-9670666580 [0,1,0,1,0,0|1,0,0]=3 1834 B10R1.113 O=C1NC(CCO1)C(=O)O MCULE-4281750243 [0,1,0,1,0,0|2,0,0]=4 1835 B10R1.113 O=C1NCCC(N1)C(=O)O MCULE-6196729766 [0,1,0,1,0,0|2,0,0]=4 1836 B10R1.113 O=C1NCCC(O1)C(=O)O MCULE-1272116406 [0,1,0,1,0,0|2,0,0]=4 1837 B10R1.113 O=C1N[C@@H](CCO1)C(=O)O MCULE-7121690603 [0,1,0,1,0,0|2,0,0]=4 1838 B10R1.118 CC1CC(=O)C(CC1=O)C MCULE-6578801564 [0,1,0,1,0,0|2,0,0]=4 1839 B10R1.118 CC1OC(=O)C(OC1=O)C MCULE-6297836419 [0,1,0,1,0,0|2,0,0]=4 1840 B10R1.118 C[C@@H]1OC(=O)[C@@H](OC1=O)C MCULE-1556505024 [0,1,0,1,0,0|2,0,0]=4 1841 B10R1.118 C[C@@H]1OC(=O)[C@@H](OC1=O)C MCULE-9270258490 [0,1,0,1,0,0|2,0,0]=4 1842 B10R1.118 C[C@@H]1OC(=O)[C@H](OC1=O)C MCULE-1118233653 [0,1,0,1,0,0|2,0,0]=4 1843 B10R1.118 C[C@H]1OC(=O)[C@H](OC1=O)C MCULE-8449427365 [0,1,0,1,0,0|2,0,0]=4 1844 B10R1.118 C[C@H]1OC(=O)[C@H](OC1=O)C MCULE-9357067471 [0,1,0,1,0,0|2,0,0]=4 1845 B10R1.118 O=C1CC(C(=O)CC1Br)Br MCULE-2104993225 [0,1,0,1,0,0|1,1,0]=4 1846 B10R1.118 [C@@H]1(OC(=O)[C@H](OC1=O)C)C MCULE-8149975087 [0,1,0,1,0,0|2,0,0]=4 1847 B10R1.59 C=C1C[C@@H]([C@@H](C1)C(=O)O)N MCULE-9822470688 [0,1,0,1,0,0|2,0,0]=4 1848 B10R1.59 CC1CC(=O)NC1C(=O)O MCULE-1142843058 [0,1,0,1,0,0|2,0,0]=4 1849 B10R1.59 CC1NC(=O)CC1C(=O)O MCULE-1109266882 [0,1,0,1,0,0|1,0,0]=3 1850 B10R1.59 CC1OC(=O)NC1C(=O)O MCULE-7595794618 [0,1,0,1,0,0|2,0,0]=4 1851 B10R1.59 CN1NC(=O)CC1C(=O)O MCULE-1720509184 [0,1,0,1,0,0|2,0,0]=4 1852 B10R1.59 CN1NC(=O)CC1C(=O)O MCULE-3806344360 [0,1,0,1,0,0|2,0,0]=4 1853 B10R1.59 C[C@@H]1CC(=O)N[C@@H]1C(=O)O MCULE-5687745727 [0,1,0,1,0,0|2,0,0]=4 1854 B10R1.59 C[C@@H]1CC(=O)N[C@H]1C(=O)O MCULE-3978079245 [0,1,0,1,0,0|2,0,0]=4 1855 B10R1.59 C[C@H]1CC(=O)N[C@@H]1C(=O)O MCULE-1352855018 [0,1,0,1,0,0|2,0,0]=4 1856 B10R1.59 C[C@H]1CC(=O)N[C@H]1C(=O)O MCULE-6205979547 [0,1,0,1,0,0|2,0,0]=4 1857 B10R1.59 O=C1CC(C(=O)N1)C(=O)O MCULE-7458355147 [0,1,0,1,0,0|1,0,1]=4 1858 B10R1.140 CCOC(=O)C1CC(=O)C1 MCULE-4058851606 [0,1,0,1,0,0|2,0,0]=4 1859 B10R2.60 O=C1CC2CC1CC2=O MCULE-4162023068 [0,0,0,2,0,0|2,0,0]=4 1860 B6R0.2 C=C(C)CC(=O)C MCULE-3534735279 [1,0,0,0,1,0|2,0,0]=4 1861 B6R0.2 C=C(C)CC(=O)O MCULE-5404023928 [1,0,0,0,1,0|1,0,0]=3 1862 B6R0.2 C=C(I)CC(=O)O MCULE-3849925169 [1,0,0,0,1,0|1,0,1]=4 1863 B6R0.2 CC(=CC(=O)O)C MCULE-4772426340 [1,0,0,0,1,0|1,0,1]=4 1864 B6R0.2 CC(=CC(=O)O)Cl MCULE-7503760292 [1,0,0,0,1,0|1,0,1]=4 1865 B6R0.2 CC(=CC(=O)O)I MCULE-2652373771 [1,0,0,0,1,0|1,0,1]=4 1866 B6R0.2 CC(=CC(=O)O)N MCULE-5894724848 [1,0,0,0,1,0|1,0,1]=4 1867 B6R0.2 CC(=N)CC(=O)C MCULE-4678643052 [1,0,0,0,1,0|2,0,0]=4 1868 B6R0.2 CC(=O)C=C(C)O MCULE-7345258397 [1,0,0,0,1,0|1,0,1]=4 1869 B6R0.2 CC(=O)CC(=O)C MCULE-6481204381 [1,0,0,0,1,0|1,0,0]=3 1870 B6R0.2 CC(=O)CC(=O)N MCULE-1618058771 [1,0,0,0,1,0|1,0,0]=3 1871 B6R0.2 CC(=O)CC(=O)O MCULE-2601276539 [1,0,0,0,1,0|0,0,0]=2 1872 B6R0.2 CC(=O)CC(=O)[O-] MCULE-6317885864 [1,0,0,0,1,0|0,0,1]=3 1873 B6R0.2 CC(=O)CC(=O)[O-] MCULE-8448177875 [1,0,0,0,1,0|0,0,1]=3 1874 B6R0.2 CC(=O)CC(C)O MCULE-5175367575 [1,0,0,0,1,0|1,0,1]=4 1875 B6R0.2 CC(=O)CN(=O)=O MCULE-3153232896 [1,0,0,0,1,0|1,0,1]=4 1876 B6R0.2 CC(=O)NC(=O)C MCULE-3040534108 [1,0,0,0,1,0|2,0,0]=4 1877 B6R0.2 CC(=O)NC(=O)N MCULE-8999775359 [1,0,0,0,1,0|2,0,0]=4 1878 B6R0.2 CC(=O)OC(=O)C MCULE-9184217748 [1,0,0,0,1,0|2,0,0]=4 1879 B6R0.2 CC(=O)SC(=O)C MCULE-5749449964 [1,0,0,0,1,0|2,0,0]=4 1880 B6R0.2 CC(=O)[CH-]C(=O)C MCULE-4855074933 [1,0,0,0,1,0|1,0,1]=4 1881 B6R0.2 CC(=O)[CH-]C(=O)C MCULE-6905854247 [1,0,0,0,1,0|1,0,1]=4 1882 B6R0.2 CC(Br)CC(=O)O MCULE-3353526571 [1,0,0,0,1,0|1,0,1]=4 1883 B6R0.2 CC(C)CC(=O)O MCULE-5805071360 [1,0,0,0,1,0|1,0,1]=4 1884 B6R0.2 CC(Cl)CC(=O)O MCULE-1436146199 [1,0,0,0,1,0|1,0,1]=4 1885 B6R0.2 CC(F)CC(=O)O MCULE-9214258715 [1,0,0,0,1,0|1,0,1]=4 1886 B6R0.2 CC(N)CC(=O)O MCULE-2960589915 [1,0,0,0,1,0|1,0,1]=4 1887 B6R0.2 CC(N)CC(=O)O MCULE-5772407106 [1,0,0,0,1,0|1,0,1]=4 1888 B6R0.2 CC(N)CC(=O)O MCULE-7818257350 [1,0,0,0,1,0|1,0,1]=4 1889 B6R0.2 CC(N)CC(=O)O MCULE-7847644131 [1,0,0,0,1,0|1,0,1]=4 1890 B6R0.2 CC(O)CC(=O)O MCULE-3566732882 [1,0,0,0,1,0|0,0,2]=4 1891 B6R0.2 CC(O)CC(=O)O MCULE-6537877725 [1,0,0,0,1,0|0,0,2]=4 1892 B6R0.2 CN(C)CC(=O)O MCULE-2303978039 [1,0,0,0,1,0|2,0,0]=4 1893 B6R0.2 CN(C)CC(=O)O MCULE-3368936600 [1,0,0,0,1,0|2,0,0]=4 1894 B6R0.2 C[C@@H](N)CC(=O)O MCULE-2652696372 [1,0,0,0,1,0|1,0,1]=4 1895 B6R0.2 C[C@@H](N)CC(=O)O MCULE-7054489636 [1,0,0,0,1,0|1,0,1]=4 1896 B6R0.2 C[C@@H](N)CC(=O)O MCULE-7621851215 [1,0,0,0,1,0|1,0,1]=4 1897 B6R0.2 C[C@@H](N)CC(=O)O MCULE-8671397640 [1,0,0,0,1,0|1,0,1]=4 1898 B6R0.2 C[C@@H](O)CC(=O)O MCULE-2545577683 [1,0,0,0,1,0|0,0,2]=4 1899 B6R0.2 C[C@@H](O)CC(=O)O MCULE-4159227891 [1,0,0,0,1,0|0,0,2]=4 1900 B6R0.2 C[C@H](Br)CC(=O)O MCULE-1601745040 [1,0,0,0,1,0|1,0,1]=4 1901 B6R0.2 C[C@H](Br)CC(=O)O MCULE-2894930407 [1,0,0,0,1,0|1,0,1]=4 1902 B6R0.2 C[C@H](N)CC(=O)O MCULE-2656839691 [1,0,0,0,1,0|1,0,1]=4 1903 B6R0.2 C[C@H](N)CC(=O)O MCULE-4695512293 [1,0,0,0,1,0|1,0,1]=4 1904 B6R0.2 C[C@H](N)CC(=O)O MCULE-5288044169 [1,0,0,0,1,0|1,0,1]=4 1905 B6R0.2 C[C@H](N)CC(=O)O MCULE-6641912058 [1,0,0,0,1,0|1,0,1]=4 1906 B6R0.2 C[C@H](O)CC(=O)O MCULE-2857686566 [1,0,0,0,1,0|0,0,2]=4 1907 B6R0.2 C[C@H](O)CC(=O)O MCULE-3362266278 [1,0,0,0,1,0|0,0,2]=4 1908 B6R0.2 NC(=O)CC(=O)N MCULE-7675159766 [1,0,0,0,1,0|2,0,0]=4 1909 B6R0.2 NC(=O)CC(=O)O MCULE-1168254626 [1,0,0,0,1,0|1,0,0]=3 1910 B6R0.2 NC(F)CC(=O)O MCULE-1563194776 [1,0,0,0,1,0|1,0,1]=4 1911 B6R0.2 NC(F)CC(=O)O MCULE-1655564430 [1,0,0,0,1,0|1,0,1]=4 1912 B6R0.2 O=C(Cl)CC(=O)Cl MCULE-8779098368 [1,0,0,0,1,0|1,1,0]=4 1913 B6R0.2 O=C(O)CC(=O)O MCULE-5893043131 [1,0,0,0,1,0|1,0,0]=3 1914 B6R0.2 O=C(O)CC(F)F MCULE-9388620099 [1,0,0,0,1,0|1,0,1]=4 1915 B6R0.2 O=C(O)CN(=O)=O MCULE-4962751453 [1,0,0,0,1,0|2,0,0]=4 1916 B6R0.2 O=C([O-])CC(=O)[O-] MCULE-2327820884 [1,0,0,0,1,0|1,0,1]=4 1917 B6R0.2 O=C([O-])CC(=O)[O-] MCULE-6849635529 [1,0,0,0,1,0|1,0,1]=4 1918 B6R0.3 C=C(CBr)C(=O)O MCULE-7257367588 [0,0,0,0,2,0|1,1,0]=4 1919 B6R0.3 C=C(CC)C(=O)O MCULE-7335567367 [0,0,0,0,2,0|2,0,0]=4 1920 B6R0.3 C=C(CO)C(=O)O MCULE-9731648602 [0,0,0,0,2,0|2,0,0]=4 1921 B6R0.3 C=CC(=O)C(=O)O MCULE-9816982424 [0,0,0,0,2,0|1,0,1]=4 1922 B6R0.3 CC(=O)C(=O)CBr MCULE-8560925164 [0,0,0,0,2,0|1,1,0]=4 1923 B6R0.3 CC(=O)C(=O)CCl MCULE-2778551811 [0,0,0,0,2,0|1,1,0]=4 1924 B6R0.3 CC(CF)C(=O)O MCULE-7390028409 [0,0,0,0,2,0|1,0,1]=4 1925 B6R0.3 CCC(=O)C(=O)C MCULE-3065014067 [0,0,0,0,2,0|2,0,0]=4 1926 B6R0.3 CCC(=O)C(=O)O MCULE-8360398438 [0,0,0,0,2,0|1,0,0]=3 1927 B6R0.3 CCC(=O)C(=O)[O-] MCULE-7571698792 [0,0,0,0,2,0|1,0,1]=4 1928 B6R0.3 CNC(=O)C(=O)O MCULE-5436132271 [0,0,0,0,2,0|2,0,0]=4 1929 B6R0.3 COC(=O)C(=O)O MCULE-8527842270 [0,0,0,0,2,0|2,0,0]=4 1930 B6R0.3 NC(CF)C(=O)O MCULE-3274339636 [0,0,0,0,2,0|1,0,1]=4 1931 B6R0.3 N[C@H](CF)C(=O)O MCULE-4766495272 [0,0,0,0,2,0|1,0,1]=4 1932 B6R0.3 N[C@H](CF)C(=O)O MCULE-7679315401 [0,0,0,0,2,0|1,0,1]=4 1933 B6R0.3 O=C(Cl)C(=O)CBr MCULE-1637788630 [0,0,0,0,2,0|1,1,0]=4 1934 B6R0.3 O=C(O)C(=O)CBr MCULE-4768170572 [0,0,0,0,2,0|0,1,0]=3 1935 B6R0.3 O=C(O)C(=O)CCl MCULE-7853426045 [0,0,0,0,2,0|0,1,0]=3 1936 B6R0.3 O=C(O)C(=O)CF MCULE-5884987827 [0,0,0,0,2,0|0,0,0]=2 1937 B6R0.3 O=C(O)C(=O)CO MCULE-2263002631 [0,0,0,0,2,0|1,0,0]=3 1938 B6R0.3 O=C(O)C(=O)CS MCULE-7466669113 [0,0,0,0,2,0|1,0,0]=3 1939 B6R0.3 O=C(O)C(Br)CF MCULE-6577995297 [0,0,0,0,2,0|1,0,1]=4 1940 B6R0.3 O=C(O)C(F)CF MCULE-4323199927 [0,0,0,0,2,0|1,0,1]=4 1941 B6R0.3 O=C(O)[C@H](O)CF MCULE-4453713074 [0,0,0,0,2,0|0,0,2]=4 1942 B6R0.3 O=C([O-])C(=O)CF MCULE-9109967389 [0,0,0,0,2,0|0,0,1]=3 1943 B6R0.3 O=C([O-])C(=O)CS MCULE-4375165973 [0,0,0,0,2,0|1,0,1]=4 1944 B10R0.55 C=CC(=O)NCCCC(=O)O MCULE-4876378657 [0,0,0,0,0,2|1,0,1]=4 1945 B10R0.55 CC(=O)NCCNC(=O)CCl MCULE-9907144716 [0,0,0,0,0,2|1,1,0]=4 1946 B10R0.55 CCC(=O)CCCCC(=O)O MCULE-8497826453 [0,0,0,0,0,2|1,0,0]=3 1947 B10R0.55 CCC(=O)NCCCC(=O)O MCULE-4434353680 [0,0,0,0,0,2|1,0,0]=3 1948 B10R0.55 CNC(=O)CCCCC(=O)O MCULE-3369426299 [0,0,0,0,0,2|2,0,0]=4 1949 B10R0.55 COC(=O)CCCCC(=O)O MCULE-2104484744 [0,0,0,0,0,2|2,0,0]=4 1950 B10R0.55 COC(=O)NCCCC(=O)O MCULE-4986877538 [0,0,0,0,0,2|2,0,0]=4 1951 B10R0.55 NCC(=O)NCCCC(=O)O MCULE-6161493754 [0,0,0,0,0,2|1,0,0]=3 1952 B10R0.55 O=C(O)CCCNC(=O)CCl MCULE-4514491154 [0,0,0,0,0,2|0,1,0]=3