0 B12R1.480 CCC(C(=O)N)N1CCCC1=O MCULE-7364782624 [0,0,0,0,0,0|0,0,0]=0 1 B12R1.480 CCC(C(=O)O)N1CCCC1=O MCULE-2438910115 [0,0,0,0,0,0|1,0,0]=1 2 B12R1.480 CCC(C(=O)O)N1CCCC1=O MCULE-4405239752 [0,0,0,0,0,0|1,0,0]=1 3 B12R1.480 CC[C@@H](C(=O)N)N1CCCC1=O MCULE-5120797917 [0,0,0,0,0,0|0,0,0]=0 4 B12R1.480 CC[C@@H](C(=O)N)N1CCCC1=O MCULE-8756188475 [0,0,0,0,0,0|0,0,0]=0 5 B12R1.480 CC[C@@H](C(=O)O)N1CCCC1=O MCULE-2387582640 [0,0,0,0,0,0|1,0,0]=1 6 B12R1.480 CC[C@@H](C(=O)O)N1CCCC1=O MCULE-6791288789 [0,0,0,0,0,0|1,0,0]=1 7 B12R1.480 CC[C@H](C(=O)N)N1CCCC1=O MCULE-2115154533 [0,0,0,0,0,0|0,0,0]=0 8 B12R1.480 CC[C@H](C(=O)O)N1CCCC1=O MCULE-6731525034 [0,0,0,0,0,0|1,0,0]=1 9 B11R1.89 CC(C(=O)O)N1CCCC1=O MCULE-9190574225 [1,0,0,0,0,0|1,0,0]=2 10 B11R1.89 C[C@@H](C(=O)O)N1CCCC1=O MCULE-1695435983 [1,0,0,0,0,0|1,0,0]=2 11 B11R1.298 CCC(C(=O)O)N1CCCC1 MCULE-1838152278 [1,0,0,0,0,0|1,0,1]=3 12 B11R1.298 CCC(C(=O)O)N1CCCC1 MCULE-8225522753 [1,0,0,0,0,0|1,0,1]=3 13 B11R1.298 CC[C@@H](C(=O)O)N1CCCC1 MCULE-1645939512 [1,0,0,0,0,0|1,0,1]=3 14 B11R1.298 CC[C@H](C(=O)O)N1CCCC1 MCULE-6359197434 [1,0,0,0,0,0|1,0,1]=3 15 B11R1.298 NCC(C(=O)N)N1CCCC1 MCULE-7872556177 [1,0,0,0,0,0|1,0,1]=3 16 B11R1.298 NCC(C(=O)O)N1CCCC1 MCULE-6610512684 [1,0,0,0,0,0|2,0,1]=4 17 B13R1.3753 CC(C)C(C(=O)O)N1CCCC1=O MCULE-9940569237 [0,1,0,0,0,0|1,0,0]=2 18 B13R1.6336 CCC(C(=O)O)N1C(=O)CSC1=S MCULE-2801231260 [0,1,0,0,0,0|2,0,1]=4 19 B11R0.278 CC[C@@H](C(=O)O)N(C)C(=O)CCl MCULE-5309540395 [0,0,1,0,0,0|2,0,0]=3 20 B11R0.296 CCC(C(=O)O)C(CC)C(=O)O MCULE-7362604126 [0,0,1,0,0,0|3,0,0]=4 21 B13R2.181 O=C1CCCC1C2CCCC2=O MCULE-4860075128 [0,0,0,1,0,0|2,0,0]=3 22 B13R2.3749 O=C(O)C1CCC2N1C(=O)CC2 MCULE-3981469337 [0,0,0,1,0,0|1,0,0]=2 23 B13R2.5569 O=C(O)C1CCCC2N1CCC2 MCULE-3008097174 [0,0,0,1,0,0|2,0,1]=4 24 B13R2.5569 O=C(O)C1CCCC2N1CCC2 MCULE-8879144306 [0,0,0,1,0,0|2,0,1]=4 25 B10R0.94 CCC(C(=O)O)N(CC)CC MCULE-1409960648 [1,0,1,0,0,0|1,0,1]=4 26 B10R0.94 CCC(C(=O)O)N(CC)CC MCULE-2268188943 [1,0,1,0,0,0|1,0,1]=4 27 B10R0.26 CCCC(=O)NC(C)C(=O)O MCULE-2171690490 [1,0,1,0,0,0|1,0,0]=3 28 B10R0.26 CCNC(=O)NC(C)C(=O)O MCULE-3484080527 [1,0,1,0,0,0|2,0,0]=4 29 B10R0.26 CCOC(=O)NC(C)C(=O)O MCULE-2656045762 [1,0,1,0,0,0|2,0,0]=4 30 B10R0.26 CCOC(=O)N[C@@H](C)C(=O)O MCULE-7713689747 [1,0,1,0,0,0|2,0,0]=4 31 B10R0.26 COCC(=O)NC(C)C(=O)O MCULE-8358486718 [1,0,1,0,0,0|2,0,0]=4 32 B10R0.53 CCC(NC(=O)CCl)C(=O)O MCULE-5604735564 [1,0,1,0,0,0|2,0,0]=4 33 B10R0.53 CCC(NC(=O)CN)C(=O)O MCULE-2960630687 [1,0,1,0,0,0|2,0,0]=4 34 B10R0.56 COC(=O)N(C)C(C)C(=O)O MCULE-4638063780 [1,0,1,0,0,0|2,0,0]=4 35 B10R0.56 COC(=O)N(C)[C@@H](C)C(=O)O MCULE-1516990203 [1,0,1,0,0,0|2,0,0]=4 36 B10R0.56 COC(=O)N(C)[C@@H](C)C(=O)O MCULE-7050195142 [1,0,1,0,0,0|2,0,0]=4 37 B10R0.56 COC(=O)N(C)[C@H](C)C(=O)O MCULE-3862916687 [1,0,1,0,0,0|2,0,0]=4 38 B10R1.23 CC(C(=O)N)N1CCCC1 MCULE-9785241457 [2,0,0,0,0,0|0,0,1]=3 39 B10R1.23 CC(C(=O)O)N1CCCC1 MCULE-1089880160 [2,0,0,0,0,0|1,0,1]=4 40 B10R1.23 CC(C(=O)O)N1CCCC1 MCULE-6643699902 [2,0,0,0,0,0|1,0,1]=4 41 B10R1.23 CC(C(=O)O)N1CCCC1 MCULE-9316791928 [2,0,0,0,0,0|1,0,1]=4 42 B10R1.23 C[C@@H](C(=O)O)N1CCCC1 MCULE-3614375066 [2,0,0,0,0,0|1,0,1]=4 43 B10R1.23 C[C@@H](C(=O)O)N1CCCC1 MCULE-3855579270 [2,0,0,0,0,0|1,0,1]=4 44 B10R1.23 C[C@H](C(=O)O)N1CCCC1 MCULE-8338161515 [2,0,0,0,0,0|1,0,1]=4 45 B10R1.23 C[C@H](C(=O)O)N1CCCC1 MCULE-8839356147 [2,0,0,0,0,0|1,0,1]=4 46 B10R1.64 CC(=O)NN1CCCC1=O MCULE-1490773377 [2,0,0,0,0,0|2,0,0]=4 47 B10R1.64 CC(N)CN1CCCC1=O MCULE-5095143827 [2,0,0,0,0,0|1,0,1]=4 48 B10R1.64 C[C@H](N)CN1CCCC1=O MCULE-1860315177 [2,0,0,0,0,0|1,0,1]=4 49 B10R1.64 C[C@H](N)CN1CCCC1=O MCULE-2817634784 [2,0,0,0,0,0|1,0,1]=4 50 B10R1.64 C[C@H](N)CN1CCCC1=O MCULE-4282969334 [2,0,0,0,0,0|1,0,1]=4 51 B10R1.64 C[C@H](N)CN1CCCC1=O MCULE-4689124690 [2,0,0,0,0,0|1,0,1]=4 52 B10R1.64 NC(=O)CN1CCCC1=O MCULE-7645397226 [2,0,0,0,0,0|0,0,0]=2 53 B10R1.64 NC(=O)NC1CCCC1=O MCULE-8760589602 [2,0,0,0,0,0|2,0,0]=4 54 B10R1.64 NC(=S)CN1CCCC1=O MCULE-9902366579 [2,0,0,0,0,0|0,1,0]=3 55 B10R1.64 NC(=S)CN1CCOC1=O MCULE-7779174443 [2,0,0,0,0,0|1,1,0]=4 56 B10R1.64 O=C(Cl)CC1CCCC1=O MCULE-7029776897 [2,0,0,0,0,0|2,0,0]=4 57 B10R1.64 O=C(O)CC1CCCC1=O MCULE-9371811615 [2,0,0,0,0,0|2,0,0]=4 58 B10R1.64 O=C(O)CN1CCCC1=O MCULE-3122232316 [2,0,0,0,0,0|1,0,0]=3 59 B10R1.64 O=C(O)CN1CCNC1=O MCULE-3675229228 [2,0,0,0,0,0|2,0,0]=4 60 B10R1.64 O=C(O)CN1CCOC1=O MCULE-4152481351 [2,0,0,0,0,0|2,0,0]=4 61 B10R1.64 O=C(O)CN1CCSC1=O MCULE-7099861777 [2,0,0,0,0,0|2,0,0]=4 62 B10R1.64 O=C(O)CN1CSCC1=O MCULE-8731328410 [2,0,0,0,0,0|2,0,0]=4 63 B10R1.149 CCC(C)N1CCCC1=O MCULE-5291691628 [2,0,0,0,0,0|0,0,1]=3 64 B10R1.149 O=C(CCl)N1CCCC1=O MCULE-4439827929 [2,0,0,0,0,0|1,0,1]=4 65 B10R1.149 O=C1CCCN1C(P)CP MCULE-4224728620 [2,0,0,0,0,0|1,1,0]=4 66 B10R1.9 CCC(CN)N1CCCC1 MCULE-4109573673 [2,0,0,0,0,0|0,0,2]=4 67 B12R0.67 CC(C)[C@H](NC(=O)CCN)C(=O)O MCULE-7886356635 [0,1,1,0,0,0|2,0,0]=4 68 B12R0.67 CCOC(=O)NC(C(=O)O)C(C)C MCULE-2303756116 [0,1,1,0,0,0|2,0,0]=4 69 B12R0.67 COCC(=O)N[C@H](C(=O)O)C(C)C MCULE-2318250295 [0,1,1,0,0,0|2,0,0]=4 70 B12R0.93 CCC(NC(=O)NCCN)C(=O)O MCULE-2628041763 [0,1,1,0,0,0|2,0,0]=4 71 B12R0.93 CC[C@H](NC(=O)CCCCl)C(=O)N MCULE-7515985536 [0,1,1,0,0,0|0,0,0]=2 72 B12R0.93 CC[C@H](NC(=O)CCCCl)C(=O)N MCULE-9473706635 [0,1,1,0,0,0|0,0,0]=2 73 B12R0.238 CCC(NCCCC(=O)O)C(=O)O MCULE-4648933282 [0,1,1,0,0,0|1,0,0]=3 74 B12R0.238 CCC(NCCCC(=O)O)C(=O)O MCULE-8765195520 [0,1,1,0,0,0|1,0,0]=3 75 B12R1.468 CC(/C(=N\O)/N)N1CCCC1=O MCULE-6872469390 [1,1,0,0,0,0|0,0,1]=3 76 B12R1.518 CC(C(=O)O)N1CCCS1(=O)=O MCULE-3924035960 [1,1,0,0,0,0|2,0,0]=4 77 B12R1.897 CC(C(=O)O)N1C(=O)CCC1=O MCULE-2121242628 [1,1,0,0,0,0|1,0,1]=4 78 B12R1.1002 CC(C)(C(=O)O)N1CCOC1=O MCULE-6178066348 [1,1,0,0,0,0|2,0,0]=4 79 B12R1.134 CCC(CCN)N1CCCC1=O MCULE-3787504974 [1,1,0,0,0,0|0,0,1]=3 80 B12R1.134 CCC(CCN)N1CCCC1=O MCULE-7996432211 [1,1,0,0,0,0|0,0,1]=3 81 B12R1.295 NCCC(C(=O)N)N1CCCC1 MCULE-3372371971 [1,1,0,0,0,0|0,0,1]=3 82 B12R1.295 NCCC(C(=O)O)N1CCCC1 MCULE-4640510352 [1,1,0,0,0,0|1,0,1]=4 83 B12R1.1395 CC(C)C(C(=O)O)N1CCCC1 MCULE-2769826658 [1,1,0,0,0,0|1,0,1]=4 84 B12R1.1395 CC(C)C(C(=O)O)N1CCCC1 MCULE-5220491109 [1,1,0,0,0,0|1,0,1]=4 85 B12R1.1395 CC(C)[C@@H](C(=O)O)N1CCCC1 MCULE-4812007818 [1,1,0,0,0,0|1,0,1]=4 86 B12R1.1395 CC(C)[C@H](C(=O)O)N1CCCC1 MCULE-3905409731 [1,1,0,0,0,0|1,0,1]=4 87 B14R1.323 CC(C)C(C(=O)Cl)N1CCCNC1=O MCULE-3167734743 [0,1,0,0,0,1|1,0,0]=3 88 B14R1.323 CC(C)C(C(=O)O)N1CCCNC1=O MCULE-9822461986 [0,1,0,0,0,1|1,0,0]=3 89 B14R1.323 CC(C)[C@@H](C(=O)O)N1CCCNC1=O MCULE-2619796610 [0,1,0,0,0,1|1,0,0]=3 90 B14R1.323 CC(C)[C@@H](C(=O)O)N1CCCNC1=O MCULE-5560091637 [0,1,0,0,0,1|1,0,0]=3 91 B14R1.6451 CC(C)C(C(=O)O)N1CCCS1(=O)=O MCULE-5015064104 [0,2,0,0,0,0|2,0,0]=4 92 B12R1.478 CCC(C(=O)N)C1=CCCCC1 MCULE-4352828599 [0,0,1,1,0,0|2,0,0]=4 93 B12R1.48 CCC1SCC(NC1=O)C(=O)O MCULE-4361536712 [0,0,1,1,0,0|2,0,0]=4 94 B12R1.318 CCCC(=O)NC1CCOC1=O MCULE-9510069763 [0,0,1,1,0,0|1,0,0]=3 95 B12R1.318 CCCC(=O)N[C@H]1CCOC1=O MCULE-2494589264 [0,0,1,1,0,0|1,0,0]=3 96 B12R1.318 CCCC(=O)N[C@H]1CCOC1=O MCULE-6957542641 [0,0,1,1,0,0|1,0,0]=3 97 B12R1.318 CCCC(=O)N[C@H]1CCSC1=O MCULE-1178132359 [0,0,1,1,0,0|1,0,0]=3 98 B12R1.450 CCC1NC(=O)C(NC1=O)CC MCULE-9583146011 [0,0,1,1,0,0|0,0,0]=2 99 B12R1.450 O=C1N[C@@H](C(=O)N[C@H]1CO)CO MCULE-2061227098 [0,0,1,1,0,0|2,0,0]=4 100 B12R1.450 O=C1N[C@H](C(=O)N[C@H]1CO)CO MCULE-2004428112 [0,0,1,1,0,0|2,0,0]=4 101 B12R1.450 O=C1N[C@H](C(=O)N[C@H]1CO)CO MCULE-3439191929 [0,0,1,1,0,0|2,0,0]=4 102 B12R1.1011 O=C1CCCCCC(C1)C(=O)O MCULE-3072060660 [0,0,1,1,0,0|2,0,0]=4 103 B12R1.368 CCC(=O)N1CCCC1C(=O)O MCULE-9954111494 [0,0,1,1,0,0|1,0,0]=3 104 B12R1.368 CCC(=O)N1CCC[C@H]1C(=O)O MCULE-1913297626 [0,0,1,1,0,0|1,0,0]=3 105 B12R1.368 CCC(=O)N1CCC[C@H]1C(=O)O MCULE-2045476528 [0,0,1,1,0,0|1,0,0]=3 106 B12R1.368 COC(=O)N1CCCC1C(=O)O MCULE-6437652218 [0,0,1,1,0,0|2,0,0]=4 107 B12R1.368 COC(=O)N1CCC[C@H]1C(=O)O MCULE-6677449749 [0,0,1,1,0,0|2,0,0]=4 108 B12R1.368 NC(=O)C1CCCN1C(=O)CCl MCULE-6261861357 [0,0,1,1,0,0|1,0,0]=3 109 B12R1.368 NC(=O)[C@@H]1CCCN1C(=O)CCl MCULE-2793214328 [0,0,1,1,0,0|1,0,0]=3 110 B12R1.368 NC(=O)[C@@H]1CCCN1C(=O)CCl MCULE-9893903522 [0,0,1,1,0,0|1,0,0]=3 111 B12R1.368 NCC(=O)N1CCCC1C(=O)O MCULE-9336761803 [0,0,1,1,0,0|2,0,0]=4 112 B12R1.368 NCC(=O)N1CCC[C@@H]1C(=O)O MCULE-1248159536 [0,0,1,1,0,0|2,0,0]=4 113 B12R1.368 NCC(=O)N1CCC[C@@H]1C(=O)O MCULE-9799276065 [0,0,1,1,0,0|2,0,0]=4 114 B12R1.368 NCC(=O)N1CCC[C@H]1C(=O)O MCULE-7301156127 [0,0,1,1,0,0|2,0,0]=4 115 B12R1.368 NCC(=O)N1CCC[C@H]1C(=O)O MCULE-8430609992 [0,0,1,1,0,0|2,0,0]=4 116 B12R1.368 O=C(O)C1CCCN1C(=O)CCl MCULE-1905760826 [0,0,1,1,0,0|2,0,0]=4 117 B12R1.368 O=C(O)[C@@H]1CCCN1C(=O)CCl MCULE-6598651648 [0,0,1,1,0,0|2,0,0]=4 118 B12R1.368 O=C(O)[C@@H]1CCCN1C(=O)CCl MCULE-9375937467 [0,0,1,1,0,0|2,0,0]=4 119 B12R1.87 CCC1C(=O)NCCN1C(=S)N MCULE-6761291545 [0,0,1,1,0,0|1,1,0]=4 120 B12R1.261 CC(=O)N1CCCCC1C(=O)O MCULE-9909402121 [0,0,1,1,0,0|1,0,0]=3 121 B12R1.261 CC(=O)N1CCCCN1C(=O)C MCULE-5064173008 [0,0,1,1,0,0|2,0,0]=4 122 B12R1.261 CC(=O)N1CCNCC1C(=O)N MCULE-6316455374 [0,0,1,1,0,0|1,0,0]=3 123 B12R1.261 CC(=O)N1CCNCC1C(=O)N MCULE-8602859617 [0,0,1,1,0,0|1,0,0]=3 124 B12R1.261 CC(=O)N1CCNCC1C(=O)O MCULE-8968360886 [0,0,1,1,0,0|2,0,0]=4 125 B12R1.261 CC(=O)N1CCOCC1C(=O)O MCULE-4489986949 [0,0,1,1,0,0|2,0,0]=4 126 B12R1.261 CC(=O)N1CCSCC1C(=S)N MCULE-7063793516 [0,0,1,1,0,0|1,1,0]=4 127 B12R1.261 NC(=O)C1CCCCC1C(=O)O MCULE-3798252597 [0,0,1,1,0,0|2,0,0]=4 128 B12R1.261 NC(=O)N1CCCCC1C(=O)O MCULE-9551488406 [0,0,1,1,0,0|2,0,0]=4 129 B12R1.261 NC(=O)[C@@H]1CCCC[C@@H]1C(=O)O MCULE-7178475126 [0,0,1,1,0,0|2,0,0]=4 130 B12R1.261 NC(=O)[C@@H]1CCCC[C@@H]1C(=O)O MCULE-8672445916 [0,0,1,1,0,0|2,0,0]=4 131 B12R1.261 NC(=O)[C@@H]1CCCC[C@H]1C(=O)O MCULE-2394611865 [0,0,1,1,0,0|2,0,0]=4 132 B12R1.261 NC(=O)[C@@H]1CCCC[C@H]1C(=O)O MCULE-4597512342 [0,0,1,1,0,0|2,0,0]=4 133 B12R1.261 NC(=O)[C@H]1CCCC[C@@H]1C(=O)O MCULE-3656636765 [0,0,1,1,0,0|2,0,0]=4 134 B12R1.261 NC(=O)[C@H]1CCCC[C@@H]1C(=O)O MCULE-3887795119 [0,0,1,1,0,0|2,0,0]=4 135 B12R1.261 NC(=O)[C@H]1CCCC[C@H]1C(=O)O MCULE-4029989910 [0,0,1,1,0,0|2,0,0]=4 136 B12R1.261 NC(=O)[C@H]1CCCC[C@H]1C(=O)O MCULE-6704294440 [0,0,1,1,0,0|2,0,0]=4 137 B12R1.261 O=C(O)C1CCCCN1C(=O)O MCULE-9397034021 [0,0,1,1,0,0|2,0,0]=4 138 B12R2.1145 O=C(O)C1CC2CC(=O)C1C2 MCULE-9601771232 [1,0,0,1,0,0|2,0,0]=4 139 B12R2.1145 O=C(O)C1C[C@H]2CC(=O)[C@@H]1C2 MCULE-8622443304 [1,0,0,1,0,0|2,0,0]=4 140 B12R2.10 O=C1CCCN1C2CCNC2 MCULE-2968825742 [1,0,0,1,0,0|0,0,1]=3 141 B12R2.10 O=C1CCCN1C2CCNC2 MCULE-8880581543 [1,0,0,1,0,0|0,0,1]=3 142 B12R2.10 O=C1NCCN1C2CCNC2 MCULE-2452245977 [1,0,0,1,0,0|1,0,1]=4 143 B12R2.10 O=C1NCCN1C2CCNC2 MCULE-5647118980 [1,0,0,1,0,0|1,0,1]=4 144 B12R2.10 O=C1OCCN1C2CCNC2 MCULE-1359815623 [1,0,0,1,0,0|1,0,1]=4 145 B12R2.10 O=C1OCCN1C2CCNC2 MCULE-5753617959 [1,0,0,1,0,0|1,0,1]=4 146 B12R2.256 O=C(O)C1(CC1)N2CCCC2 MCULE-2067148802 [1,0,0,1,0,0|1,0,1]=4 147 B12R2.256 O=C(O)C1(CC1)N2CCCC2 MCULE-2311089219 [1,0,0,1,0,0|1,0,1]=4 148 B14R2.309 O=C1CCCN1CN2CCCC2=O MCULE-8083584124 [0,0,0,1,0,1|2,0,0]=4 149 B14R2.24358 C12CCC(=O)N1CC(CC2)C(=O)O MCULE-5545883106 [0,0,0,1,0,1|1,0,0]=3 150 B14R2.24358 O=C(O)[C@H]1CC[C@@H]2CCC(=O)N2C1 MCULE-4733116955 [0,0,0,1,0,1|1,0,0]=3 151 B14R2.24358 [C@@H]12CCC(=O)N1C[C@H](CC2)C(=O)O MCULE-5786040812 [0,0,0,1,0,1|1,0,0]=3 152 B14R2.24358 [C@@H]12CCC(=O)N1C[C@H](CC2)C(=O)O MCULE-5817953800 [0,0,0,1,0,1|1,0,0]=3 153 B14R2.8543 CC12CCC(=O)N1C(CS2)C(=O)O MCULE-8354347388 [0,1,0,1,0,0|2,0,0]=4 154 B12R1.124 CC(C(=O)O)N1CCCCC1=O MCULE-6557990650 [1,0,0,0,0,1|1,0,0]=3