0 B11R1.3 CC(C)C1CCC(CC1)NN PH019449 [0,0,0,0,0,0|3,0,1]=4 1 B11R1.3 CCN1CCC(CC1)C(=O)O CBR00745 [0,0,0,0,0,0|2,0,0]=2 2 B11R1.3 NCC1CCC(CC1)C(=O)O S429554 [0,0,0,0,0,0|0,0,0]=0 3 B10R1.3 BrCC1CCC(CC1)CBr S893315 [1,0,0,0,0,0|2,0,1]=4 4 B10R1.3 CCN1CCC(CC1)CN CDS017748 [1,0,0,0,0,0|2,0,1]=4 5 B10R1.3 NCC1CCC(CC1)CN PH001097 [1,0,0,0,0,0|1,0,1]=3 6 B10R1.3 NCC1CCC(CC1)CN S430315 [1,0,0,0,0,0|1,0,1]=3 7 B10R1.13 CC(=O)N1CCC(CC1)N CDS010756 [1,0,0,0,0,0|2,0,0]=3 8 B10R1.13 CC1CCC(CC1)C(C)O PH000605 [1,0,0,0,0,0|1,0,1]=3 9 B10R1.13 CN(C)C1CCC(CC1)N CDS010169 [1,0,0,0,0,0|3,0,0]=4 10 B10R1.13 CN1CCC(CC1)C(=O)O PH009778 [1,0,0,0,0,0|1,0,0]=2 11 B10R1.13 NC1CCC(CC1)C(=O)O CDS000161 [1,0,0,0,0,0|0,0,0]=1 12 B10R1.13 O=C(O)C1CCC(CC1)F MNO000187 [1,0,0,0,0,0|1,0,0]=2 13 B10R1.13 [C@@H]1(CC[C@H](CC1)C(=O)O)O ANV00233 [1,0,0,0,0,0|1,0,0]=2 14 B12R1.6 NCC1CCC(CC1)C(F)(F)F CDS009332 [0,1,0,0,0,0|2,0,1]=4 15 B12R1.113 CCNC1CCN(CC1)C(=O)C PH019162 [0,1,0,0,0,0|3,0,0]=4 16 B12R1.256 NC(=O)C1CCC(CC1)C(=O)N PH008543 [0,1,0,0,0,0|1,0,1]=3 17 B12R1.256 NC(=O)N1CCC(CC1)C(=O)O CDS012301 [0,1,0,0,0,0|1,0,1]=3 18 B10R0.77 CCN(CC)OCCC(=O)O T160954 [0,0,1,0,0,0|3,0,0]=4 19 B10R1.31 CCC1NC(CS1)C(=O)O S982571 [0,0,0,0,1,0|3,0,0]=4 20 B12R1.4 CCN1CCC(CC1)CC(=O)O CBR00999 [0,0,0,0,0,1|2,0,0]=3 21 B9R0.50 NCCCCC(CO)CO CDS005071 [1,0,1,0,0,0|1,0,1]=4 22 B9R0.7 C[S+](C)CCC(N)C(=O)O S582026 [1,0,1,0,0,0|2,0,0]=4 23 B9R0.7 C[S+](C)CCC(N)C(=O)O S859427 [1,0,1,0,0,0|2,0,0]=4 24 B9R0.13 CCN(CCCN)C(=O)C PH010126 [1,0,1,0,0,0|2,0,0]=4 25 B9R1.1 CCC1CCC(CC1)N CDS002619 [2,0,0,0,0,0|1,0,1]=4 26 B9R1.1 CCC1CCC(CC1)O S504939 [2,0,0,0,0,0|1,0,0]=3 27 B9R1.1 CCN1CCC(CC1)O CDS021469 [2,0,0,0,0,0|2,0,0]=4 28 B9R1.1 CC[C@H]1CC[C@@H](CC1)O CDS000137 [2,0,0,0,0,0|1,0,0]=3 29 B9R1.1 CN1CCC(CC1)CN ANV00108 [2,0,0,0,0,0|1,0,1]=4 30 B9R1.1 CN1CCC(CC1)CN CDS006144 [2,0,0,0,0,0|1,0,1]=4 31 B9R1.1 COC1CCC(CC1)N CDS024278 [2,0,0,0,0,0|2,0,0]=4 32 B9R1.1 O=C1CCC(CC1)CO CDS017814 [2,0,0,0,0,0|1,0,1]=4 33 B9R1.1 OC[C@H]1CC[C@@H](CC1)O T184683 [2,0,0,0,0,0|1,0,0]=3 34 B9R1.1 OC[C@H]1CC[C@H](CC1)O T184624 [2,0,0,0,0,0|1,0,0]=3 35 B9R1.6 CC(=O)C1CCCCC1 PH000084 [2,0,0,0,0,0|1,0,0]=3 36 B9R1.6 CC(=O)C1CCCNC1 CBR02306 [2,0,0,0,0,0|2,0,0]=4 37 B9R1.6 NC(=O)C1CCCCN1 CDS009633 [2,0,0,0,0,0|2,0,0]=4 38 B9R1.6 O=C(Cl)C1CCOCC1 CDS016614 [2,0,0,0,0,0|2,0,0]=4 39 B9R1.6 O=C(Cl)C1CCOCC1 SYX00374 [2,0,0,0,0,0|2,0,0]=4 40 B9R1.6 O=C(O)C1CCCCO1 CDS015473 [2,0,0,0,0,0|1,0,0]=3 41 B9R1.6 O=C(O)C1CCCOC1 CDS010407 [2,0,0,0,0,0|1,0,0]=3 42 B9R1.6 O=C(O)C1CCSCN1 CBR00886 [2,0,0,0,0,0|2,0,0]=4 43 B9R1.6 O=C(O)C1CNCCN1 PH011527 [2,0,0,0,0,0|2,0,0]=4 44 B9R1.6 O=C(O)C1CNCCO1 CDS017627 [2,0,0,0,0,0|2,0,0]=4 45 B11R0.76 CCCCCCC(CC)C(=O)O PH002681 [0,1,1,0,0,0|1,0,0]=3 46 B11R0.78 CCCCCC(CCC)C(=O)O VBP00053 [0,1,1,0,0,0|1,0,0]=3 47 B11R1.83 NCC1CCN(CC1)CCO CBR01881 [1,1,0,0,0,0|1,0,1]=4 48 B11R1.83 NCCN1CCC(CC1)CO CBR00284 [1,1,0,0,0,0|1,0,1]=4 49 B11R1.19 CC1CCC(CC1)S(=O)(=O)[O-] PH016281 [1,1,0,0,0,0|1,0,1]=4 50 B11R1.22 CC1CCN(CC1)C(=O)CCl PH010560 [1,1,0,0,0,0|2,0,0]=4 51 B11R1.22 CN1CCC(CC1)C(=O)NN CBR01645 [1,1,0,0,0,0|2,0,0]=4 52 B11R1.22 COC(=O)C1CCC(CC1)C PH001309 [1,1,0,0,0,0|0,0,0]=2 53 B11R1.220 CN1CCC(CC1)(C)C(=O)O T310751 [1,1,0,0,0,0|1,0,0]=3 54 B11R1.220 CN1CCC(CC1)(F)C(=O)O PH019046 [1,1,0,0,0,0|1,0,0]=3 55 B11R1.220 CN1CCC(CC1)(N)C(=O)O CBR01660 [1,1,0,0,0,0|1,0,0]=3 56 B11R1.220 CN1CCC(CC1)(O)C(=O)O CBR01821 [1,1,0,0,0,0|1,0,0]=3 57 B11R1.727 C[C@@H](O)C1CCC(CC1)(C)C CDS024512 [1,1,0,0,0,0|1,0,1]=4 58 B11R1.124 CCCC1CN[C@@H](C1)C(=O)O PH009132 [0,1,0,0,1,0|2,0,0]=4 59 B13R1.36 COC1CCC(CC1)C(N)C(=O)O L164631 [0,1,0,0,0,1|2,0,0]=4 60 B13R1.142 CCCN1CCC(CC1)CC(=O)O CBR02332 [0,1,0,0,0,1|2,0,0]=4 61 B13R1.585 CC(C)N1CCC(CC1)CC(=O)O CBR01257 [0,1,0,0,0,1|2,0,0]=4 62 B13R1.585 NC(=O)C1CCN(CC1)CC(=O)O CBR01002 [0,1,0,0,0,1|1,0,1]=4 63 B13R1.452 CCOC(=O)C1CCC(CC1)CN CDS008144 [0,2,0,0,0,0|0,0,0]=2 64 B13R1.338 CC(C)(C)C1CCC(CC1)C(=O)O T292273 [0,2,0,0,0,0|1,0,0]=3 65 B13R1.74 CCCCC1CCC(CC1)C(=O)O CDS003428 [0,2,0,0,0,0|1,0,0]=3 66 B13R1.74 N#CCCN1CCC(CC1)C(=O)O OTV000429 [0,2,0,0,0,0|1,0,1]=4 67 B13R1.8764 CC(C)N1CCC(CC1)(N)C(=O)O CDS023227 [0,2,0,0,0,0|2,0,0]=4 68 B11R1.143 CN1CCCCCC1C(=O)O CBR00944 [0,0,1,1,0,0|2,0,0]=4 69 B11R1.180 CCCCCC1CCCC1=O S148938 [0,0,1,1,0,0|2,0,0]=4 70 B11R1.298 NCC(C(=O)O)C1CCCC1 PH015305 [0,0,1,1,0,0|2,0,0]=4 71 B11R1.706 O=C(O)C1CCC=CCCC1 T179795 [0,0,1,1,0,0|1,0,1]=4 72 B11R1.1074 CCC1(CCCCC1)C(=O)N PH008848 [0,0,1,1,0,0|2,0,0]=4 73 B11R1.1074 CCC1(CCCNC1)C(=O)O CBR02413 [0,0,1,1,0,0|2,0,0]=4 74 B11R1.1074 CCC1(CCNCC1)C(=O)O CBR01341 [0,0,1,1,0,0|2,0,0]=4 75 B11R2.367 CC1C(=O)C2CCN1CC2 PH008842 [1,0,0,1,0,0|2,0,0]=4 76 B11R2.68 O=C1O[C@H]2C[C@@H]1CC[C@@H]2I PH016401 [1,0,0,1,0,0|1,0,0]=3 77 B11R2.201 O=C1OC(=O)C2CCC1C2 S757330 [0,0,0,1,1,0|1,0,1]=4 78 B11R2.845 CC(=O)C1CC2CCC1C2 S240249 [0,0,0,1,1,0|2,0,0]=4 79 B11R2.845 O=C(O)C1CC2C=CC1C2 S181285 [0,0,0,1,1,0|1,0,1]=4 80 B11R2.845 O=C(O)C1CC2CCC1C2 S37738 [0,0,0,1,1,0|1,0,0]=3 81 B11R2.845 O=C(O)[C@H]1C[C@@H]2CC[C@H]1N2 BBO000411 [0,0,0,1,1,0|2,0,0]=4 82 B11R2.845 O=C(O)[C@H]1N[C@@H]2CC[C@H]1C2 CDS019191 [0,0,0,1,1,0|2,0,0]=4 83 B11R2.845 [C@@H]12C=C[C@@H](C1)[C@H](C2)C(=O)O S662321 [0,0,0,1,1,0|1,0,1]=4 84 B13R2.12024 NC1C2C=CC(C1C(=O)O)CC2 S895083 [0,0,0,1,0,1|0,0,2]=4 85 B13R2.22973 CC1(C2CCC1(CC2)C(=O)N)C S859532 [0,1,0,1,0,0|2,0,0]=4 86 B9R0.42 CCN(C)CC(C)C(=O)O CBR01343 [0,0,1,0,1,0|2,0,0]=4 87 B9R1.21 OCC1CCC(C1)CO T237035 [1,0,0,0,1,0|1,0,1]=4 88 B9R1.35 N[C@@H]1C=C[C@@H](C1)C(=O)O CDS007467 [1,0,0,0,1,0|0,0,2]=4 89 B9R1.35 N[C@@H]1CC[C@@H](C1)C(=O)O CDS009904 [1,0,0,0,1,0|0,0,0]=2 90 B9R1.35 O=C(O)[C@@H]1CC(CN1)O PH018681 [1,0,0,0,1,0|2,0,0]=4 91 B11R1.20 CC(=O)NC1CCC(CC1)O CDS000512 [1,0,0,0,0,1|2,0,0]=4 92 B11R1.20 CC(=O)N[C@H]1CC[C@@H](CC1)N PH018847 [1,0,0,0,0,1|1,0,0]=3 93 B11R1.20 CC(=O)OC1CCC(CC1)O S722197 [1,0,0,0,0,1|2,0,0]=4 94 B11R1.20 CC1CCC(=CC(=O)O)CC1 S701572 [1,0,0,0,0,1|0,0,1]=3 95 B11R1.20 CC1CCN(CC1)CC(=O)N R433535 [1,0,0,0,0,1|2,0,0]=4 96 B11R1.20 CN1CCC(=CC(=O)O)CC1 CBR00374 [1,0,0,0,0,1|1,0,1]=4 97 B11R1.20 CN1CCC(CC1)OC(=O)N PH012385 [1,0,0,0,0,1|2,0,0]=4 98 B11R1.20 NC1CCN(CC1)CC(=O)O CBR00672 [1,0,0,0,0,1|1,0,0]=3 99 B11R1.266 CC(=O)N1CCOC(C1)CN CBR02393 [0,0,0,0,1,1|2,0,0]=4