0 B9R1.35 CC(=O)N1C=CC(=O)N1 CS-0137697 [0,0,0,0,0,0|2,0,2]=4 1 B9R1.35 CC(C)C1COC(=O)N1 CS-0076533 [0,0,0,0,0,0|3,0,1]=4 2 B9R1.35 CC(C)[C@@H]1COC(=O)N1 CS-W002320 [0,0,0,0,0,0|3,0,1]=4 3 B9R1.35 CC(C)[C@H]1COC(=O)N1 CS-W002062 [0,0,0,0,0,0|3,0,1]=4 4 B9R1.35 CC1=CC=C(C(=O)O)N1 CS-W022410 [0,0,0,0,0,0|1,0,3]=4 5 B9R1.35 CC1=CN=C(C(=O)O)N1 CS-W019454 [0,0,0,0,0,0|2,0,2]=4 6 B9R1.35 CN1CCC(C(=O)O)C1 CS-0005397 [0,0,0,0,0,0|3,0,0]=3 7 B9R1.35 N=C1NC(C(=O)O)CS1 CS-0044002 [0,0,0,0,0,0|2,0,0]=2 8 B9R1.35 NC(=O)C1CNC(=O)C1 CS-0036847 [0,0,0,0,0,0|3,0,0]=3 9 B9R1.35 NC(=O)[C@@H]1CCC(=O)N1 CS-0149998 [0,0,0,0,0,0|1,0,0]=1 10 B9R1.35 NC1CCC(C(=O)O)C1 CS-0051536 [0,0,0,0,0,0|2,0,1]=3 11 B9R1.35 NC1CCC(C(=O)O)C1 CS-0119364 [0,0,0,0,0,0|2,0,1]=3 12 B9R1.35 N[C@@H]1CC[C@@H](C(=O)O)C1 CS-0047789 [0,0,0,0,0,0|2,0,1]=3 13 B9R1.35 N[C@@H]1CC[C@@H](C(=O)O)C1 CS-0058718 [0,0,0,0,0,0|2,0,1]=3 14 B9R1.35 N[C@@H]1CN[C@H](C(=O)O)C1 CS-0001906 [0,0,0,0,0,0|3,0,1]=4 15 B9R1.35 N[C@H]1CC[C@@H](C(=O)O)C1 CS-0035738 [0,0,0,0,0,0|2,0,1]=3 16 B9R1.35 N[C@H]1CC[C@@H](C(=O)O)C1 CS-0053615 [0,0,0,0,0,0|2,0,1]=3 17 B9R1.35 N[C@H]1CC[C@@H](C(=O)O)C1 CS-0166792 [0,0,0,0,0,0|2,0,1]=3 18 B9R1.35 N[C@H]1CC[C@H](C(=O)O)C1 CS-0162383 [0,0,0,0,0,0|2,0,1]=3 19 B9R1.35 N[C@H]1CN[C@@H](C(=O)O)C1 CS-0438145 [0,0,0,0,0,0|3,0,1]=4 20 B9R1.35 N[C@H]1CN[C@H](C(=O)O)C1 CS-0028271 [0,0,0,0,0,0|3,0,1]=4 21 B9R1.35 O=C(O)C1=CC=C(Br)N1 CS-W022299 [0,0,0,0,0,0|1,0,3]=4 22 B9R1.35 O=C(O)C1=NC=C(Br)N1 CS-0018715 [0,0,0,0,0,0|2,0,2]=4 23 B9R1.35 O=C(O)C1=NN=C(Br)N1 CS-0019283 [0,0,0,0,0,0|3,0,1]=4 24 B9R1.35 O=C(O)C1CCC(Br)C1 CS-0380404 [0,0,0,0,0,0|2,0,1]=3 25 B9R1.35 O=C(O)C1CCC(O)C1 CS-0112577 [0,0,0,0,0,0|1,0,2]=3 26 B9R1.35 O=C(O)[C@@H]1CSC(=S)N1 CS-0555276 [0,0,0,0,0,0|1,1,0]=2 27 B9R1.35 O=C(O)[C@@H]1C[C@@H](F)CN1 CS-0037623 [0,0,0,0,0,0|3,0,1]=4 28 B9R1.35 O=C(O)[C@@H]1C[C@@H](F)CN1 CS-0058696 [0,0,0,0,0,0|3,0,1]=4 29 B9R1.35 O=C(O)[C@@H]1C[C@@H](O)CN1 CS-0101213 [0,0,0,0,0,0|2,0,2]=4 30 B9R1.35 O=C(O)[C@@H]1C[C@@H](O)CN1 CS-W008928 [0,0,0,0,0,0|2,0,2]=4 31 B9R1.35 O=C(O)[C@@H]1C[C@H](F)CN1 CS-0053410 [0,0,0,0,0,0|3,0,1]=4 32 B9R1.35 O=C(O)[C@@H]1C[C@H](F)CN1 CS-0058726 [0,0,0,0,0,0|3,0,1]=4 33 B9R1.35 O=C(O)[C@@H]1C[C@H](O)CN1 CS-0028245 [0,0,0,0,0,0|2,0,2]=4 34 B9R1.35 O=C(O)[C@@H]1C[C@H](O)CN1 CS-W009077 [0,0,0,0,0,0|2,0,2]=4 35 B9R1.35 O=C(O)[C@H]1C[C@@H](F)CN1 CS-0053465 [0,0,0,0,0,0|3,0,1]=4 36 B9R1.35 O=C(O)[C@H]1C[C@@H](O)CN1 CS-M0679 [0,0,0,0,0,0|2,0,2]=4 37 B9R1.35 O=C(O)[C@H]1C[C@H](F)CN1 CS-0001913 [0,0,0,0,0,0|3,0,1]=4 38 B9R1.35 O=C(O)[C@H]1C[C@H](O)CN1 CS-0020162 [0,0,0,0,0,0|2,0,2]=4 39 B9R1.35 O=C(O)[C@H]1C[C@H](O)CN1 CS-W003511 [0,0,0,0,0,0|2,0,2]=4 40 B9R1.35 O=C1C=C(C(=O)O)NN1 CS-0076991 [0,0,0,0,0,0|3,0,1]=4 41 B9R1.35 O=C1C=C(C(=O)O)ON1 CS-W021938 [0,0,0,0,0,0|3,0,1]=4 42 B9R1.35 O=C1CC(C(=O)O)CN1 CS-0050412 [0,0,0,0,0,0|2,0,0]=2 43 B9R1.35 O=C1CCC(C(=O)O)C1 CS-W001693 [0,0,0,0,0,0|1,0,0]=1 44 B9R1.35 O=C1CCC(C(=O)O)N1 CS-W013454 [0,0,0,0,0,0|0,0,0]=0 45 B9R1.35 O=C1CCC(C(=O)O)O1 CS-0129013 [0,0,0,0,0,0|1,0,0]=1 46 B9R1.35 O=C1CC[C@@H](C(=O)O)N1 CS-M0659 [0,0,0,0,0,0|0,0,0]=0 47 B9R1.35 O=C1CC[C@@H](C(=O)O)O1 CS-D0218 [0,0,0,0,0,0|1,0,0]=1 48 B9R1.35 O=C1CC[C@H](C(=O)O)N1 CS-W002304 [0,0,0,0,0,0|0,0,0]=0 49 B9R1.35 O=C1CC[C@H](C(=O)O)O1 CS-W021140 [0,0,0,0,0,0|1,0,0]=1 50 B9R1.35 O=C1CN[C@H](C(=O)O)C1 CS-0271190 [0,0,0,0,0,0|2,0,0]=2 51 B9R1.35 O=C1CN[C@H](C(=O)O)C1 CS-0476427 [0,0,0,0,0,0|2,0,0]=2 52 B9R1.35 O=C1C[C@H](C(=O)O)CN1 CS-0053257 [0,0,0,0,0,0|2,0,0]=2 53 B9R1.35 O=C1NC=C(C(=O)O)N1 CS-W009540 [0,0,0,0,0,0|1,0,2]=3 54 B9R1.35 O=C1NCC(C(=O)O)N1 CS-0062204 [0,0,0,0,0,0|1,0,0]=1 55 B9R1.35 O=C1NC[C@@H](C(=O)O)N1 CS-0072318 [0,0,0,0,0,0|1,0,0]=1 56 B9R1.35 O=C1NC[C@@H](C(=O)O)O1 CS-0455875 [0,0,0,0,0,0|2,0,0]=2 57 B9R1.35 O=C1NC[C@H](C(=O)O)N1 CS-0527049 [0,0,0,0,0,0|1,0,0]=1 58 B9R1.35 O=C1N[C@H](C(=O)O)CS1 CS-0110970 [0,0,0,0,0,0|1,0,0]=1 59 B9R1.35 [C@@H]1(C(=O)O)CCC(=O)C1 CS-0044068 [0,0,0,0,0,0|1,0,0]=1 60 B9R1.35 [C@H]1(C(=O)O)CCC(=O)C1 CS-0044069 [0,0,0,0,0,0|1,0,0]=1 61 B9R1.35 [C@H]1(O)CN[C@@H](C(=O)O)C1 CS-W008129 [0,0,0,0,0,0|2,0,2]=4 62 B8R1.1 C=CC1COC(=O)C1 CS-B0698 [1,0,0,0,0,0|3,0,0]=4 63 B8R1.1 C=CC1COC(=O)O1 CS-W011250 [1,0,0,0,0,0|3,0,0]=4 64 B8R1.1 C=C[C@H]1COC(=O)C1 CS-0001483 [1,0,0,0,0,0|3,0,0]=4 65 B8R1.1 CCC1CCC(=O)N1 CS-0046651 [1,0,0,0,0,0|1,0,1]=3 66 B8R1.1 CCC1COC(=O)N1 CS-0447690 [1,0,0,0,0,0|2,0,1]=4 67 B8R1.1 CC[C@H]1COC(=O)N1 CS-0093963 [1,0,0,0,0,0|2,0,1]=4 68 B8R1.1 N#C[C@@H]1CCC(=O)C1 CS-0056414 [1,0,0,0,0,0|2,0,1]=4 69 B8R1.1 NCC1CCC(=O)N1 CS-0029734 [1,0,0,0,0,0|1,0,1]=3 70 B8R1.1 NCC1CCC(=O)N1 CS-0075962 [1,0,0,0,0,0|1,0,1]=3 71 B8R1.1 NC[C@@H]1CCC(=O)N1 CS-0144990 [1,0,0,0,0,0|1,0,1]=3 72 B8R1.1 NC[C@H]1CCC(=O)N1 CS-0105178 [1,0,0,0,0,0|1,0,1]=3 73 B8R1.1 O=C1CC(CO)CN1 CS-0046664 [1,0,0,0,0,0|2,0,1]=4 74 B8R1.1 O=C1CC(CO)CO1 CS-0037642 [1,0,0,0,0,0|2,0,1]=4 75 B8R1.1 O=C1CCC(CO)C1 CS-0315717 [1,0,0,0,0,0|1,0,1]=3 76 B8R1.1 O=C1CCC(CO)N1 CS-W001608 [1,0,0,0,0,0|0,0,1]=2 77 B8R1.1 O=C1CCC(CO)O1 CS-0113560 [1,0,0,0,0,0|1,0,1]=3 78 B8R1.1 O=C1CC[C@@H](CBr)N1 CS-B0460 [1,0,0,0,0,0|1,0,1]=3 79 B8R1.1 O=C1CC[C@@H](CO)N1 CS-B0366 [1,0,0,0,0,0|0,0,1]=2 80 B8R1.1 O=C1CC[C@H](CO)N1 CS-W001840 [1,0,0,0,0,0|0,0,1]=2 81 B8R1.1 O=C1NC(CO)CO1 CS-0309754 [1,0,0,0,0,0|1,0,1]=3 82 B8R1.1 O=C1NCC(CO)O1 CS-0113076 [1,0,0,0,0,0|2,0,1]=4 83 B8R1.1 O=C1NC[C@@H](CO)O1 CS-0067235 [1,0,0,0,0,0|2,0,1]=4 84 B8R1.1 O=C1NC[C@H](CO)O1 CS-0131343 [1,0,0,0,0,0|2,0,1]=4 85 B8R1.1 O=C1N[C@@H](CF)CO1 CS-0256092 [1,0,0,0,0,0|2,0,1]=4 86 B8R1.1 O=C1N[C@@H](CI)CO1 CS-0149725 [1,0,0,0,0,0|2,0,1]=4 87 B8R1.1 O=C1N[C@@H](CO)CO1 CS-0067476 [1,0,0,0,0,0|1,0,1]=3 88 B8R1.1 O=C1N[C@H](CO)CO1 CS-0216909 [1,0,0,0,0,0|1,0,1]=3 89 B8R1.1 O=C1OCC(CO)O1 CS-0158426 [1,0,0,0,0,0|2,0,1]=4 90 B8R1.7 CC(=O)C1CCCC1 CS-W020214 [1,0,0,0,0,0|2,0,1]=4 91 B8R1.7 NC(=O)C1CC=CC1 CS-0149959 [1,0,0,0,0,0|2,0,1]=4 92 B8R1.7 NC(=O)C1CCCC1 CS-0205277 [1,0,0,0,0,0|2,0,1]=4 93 B8R1.7 NC(=O)C1CCCN1 CS-0450473 [1,0,0,0,0,0|1,0,1]=3 94 B8R1.7 NC(=O)C1CCCN1 CS-W005850 [1,0,0,0,0,0|1,0,1]=3 95 B8R1.7 NC(=O)[C@@H]1CCCN1 CS-D1209 [1,0,0,0,0,0|1,0,1]=3 96 B8R1.7 NC(=O)[C@@H]1CCCN1 CS-W018129 [1,0,0,0,0,0|1,0,1]=3 97 B8R1.7 NC(=O)[C@H]1CCCN1 CS-W013637 [1,0,0,0,0,0|1,0,1]=3 98 B8R1.7 NC(=O)[C@H]1CCNC1 CS-0053244 [1,0,0,0,0,0|3,0,0]=4 99 B8R1.7 O=C(O)C1=CC=CN1 CS-W001963 [1,0,0,0,0,0|0,0,3]=4 100 B8R1.7 O=C(O)C1=CCCC1 CS-W005540 [1,0,0,0,0,0|1,0,2]=4 101 B8R1.7 O=C(O)C1=CN=CN1 CS-W007695 [1,0,0,0,0,0|1,0,2]=4 102 B8R1.7 O=C(O)C1=COCC1 CS-0067218 [1,0,0,0,0,0|2,0,1]=4 103 B8R1.7 O=C(O)C1=NC=CN1 CS-W002590 [1,0,0,0,0,0|1,0,2]=4 104 B8R1.7 O=C(O)C1=NN=CN1 CS-0030760 [1,0,0,0,0,0|2,0,1]=4 105 B8R1.7 O=C(O)C1CC=CC1 CS-W002373 [1,0,0,0,0,0|1,0,1]=3 106 B8R1.7 O=C(O)C1CCCC1 CS-W007448 [1,0,0,0,0,0|1,0,1]=3 107 B8R1.7 O=C(O)C1CCCN1 CS-W013624 [1,0,0,0,0,0|0,0,1]=2 108 B8R1.7 O=C(O)C1CCCO1 CS-W018496 [1,0,0,0,0,0|1,0,1]=3 109 B8R1.7 O=C(O)C1CCCS1 CS-W000375 [1,0,0,0,0,0|1,0,1]=3 110 B8R1.7 O=C(O)C1CCNC1 CS-0040176 [1,0,0,0,0,0|2,0,0]=3 111 B8R1.7 O=C(O)C1CCNC1 CS-W019683 [1,0,0,0,0,0|2,0,0]=3 112 B8R1.7 O=C(O)C1CCOC1 CS-W004096 [1,0,0,0,0,0|2,0,0]=3 113 B8R1.7 O=C(O)C1CSCN1 CS-8024 [1,0,0,0,0,0|1,0,1]=3 114 B8R1.7 O=C(O)C1NCCS1 CS-0204253 [1,0,0,0,0,0|1,0,1]=3 115 B8R1.7 O=C(O)[C@@H]1C=CCN1 CS-0171023 [1,0,0,0,0,0|2,0,0]=3 116 B8R1.7 O=C(O)[C@@H]1C=CCN1 CS-W016613 [1,0,0,0,0,0|2,0,0]=3 117 B8R1.7 O=C(O)[C@@H]1CCCN1 CS-W019861 [1,0,0,0,0,0|0,0,1]=2 118 B8R1.7 O=C(O)[C@@H]1CCCN1 CS-WAA0253 [1,0,0,0,0,0|0,0,1]=2 119 B8R1.7 O=C(O)[C@@H]1CCCO1 CS-W004117 [1,0,0,0,0,0|1,0,1]=3 120 B8R1.7 O=C(O)[C@@H]1CCNC1 CS-0053309 [1,0,0,0,0,0|2,0,0]=3 121 B8R1.7 O=C(O)[C@@H]1CCNC1 CS-D1771 [1,0,0,0,0,0|2,0,0]=3 122 B8R1.7 O=C(O)[C@@H]1CSCN1 CS-W013392 [1,0,0,0,0,0|1,0,1]=3 123 B8R1.7 O=C(O)[C@H]1CCCN1 CS-W020557 [1,0,0,0,0,0|0,0,1]=2 124 B8R1.7 O=C(O)[C@H]1CCCO1 CS-W005223 [1,0,0,0,0,0|1,0,1]=3 125 B8R1.7 O=C(O)[C@H]1CCNC1 CS-0053243 [1,0,0,0,0,0|2,0,0]=3 126 B8R1.7 O=C(O)[C@H]1CCNC1 CS-D0752 [1,0,0,0,0,0|2,0,0]=3 127 B8R1.7 O=C(O)[C@H]1CCOC1 CS-0053249 [1,0,0,0,0,0|2,0,0]=3 128 B8R1.7 O=C(O)[C@H]1CSCN1 CS-0097362 [1,0,0,0,0,0|1,0,1]=3 129 B8R1.7 OB(O)C1ccCC1 CS-0175028 [1,0,0,0,0,0|2,0,1]=4 130 B8R1.7 [C@@H]1(C(=O)O)CCOC1 CS-W006196 [1,0,0,0,0,0|2,0,0]=3 131 B10R1.14 C=C1CN[C@H](C(=O)OC)C1 CS-0130584 [0,1,0,0,0,0|3,0,0]=4 132 B10R1.14 CC1=NC(C(=O)O[Na])CS1 CS-0198944 [0,1,0,0,0,0|2,0,1]=4 133 B10R1.14 COC(=O)C1=CNC(=O)N1 CS-0098094 [0,1,0,0,0,0|1,0,2]=4 134 B10R1.14 COC(=O)C1CCC(=O)C1 CS-W019720 [0,1,0,0,0,0|1,0,0]=2 135 B10R1.14 COC(=O)C1CCC(=O)N1 CS-D0636 [0,1,0,0,0,0|0,0,0]=1 136 B10R1.14 COC(=O)C1CCC(=O)O1 CS-0435430 [0,1,0,0,0,0|1,0,0]=2 137 B10R1.14 COC(=O)C1CCC(N)C1 CS-W006920 [0,1,0,0,0,0|2,0,1]=4 138 B10R1.14 COC(=O)C1CCC(O)C1 CS-0150733 [0,1,0,0,0,0|1,0,2]=4 139 B10R1.14 COC(=O)C1CCN(C)C1 CS-0151107 [0,1,0,0,0,0|3,0,0]=4 140 B10R1.14 COC(=O)C1CNC(=O)C1 CS-W003494 [0,1,0,0,0,0|2,0,0]=3 141 B10R1.14 COC(=O)[C@@H]1CCC(=O)C1 CS-0049313 [0,1,0,0,0,0|1,0,0]=2 142 B10R1.14 COC(=O)[C@@H]1CCC(=O)N1 CS-D0637 [0,1,0,0,0,0|0,0,0]=1 143 B10R1.14 COC(=O)[C@@H]1CCC(=O)O1 CS-0336442 [0,1,0,0,0,0|1,0,0]=2 144 B10R1.14 COC(=O)[C@@H]1CC[C@@H](N)C1 CS-0048878 [0,1,0,0,0,0|2,0,1]=4 145 B10R1.14 COC(=O)[C@@H]1CC[C@@H](N)C1 CS-0049309 [0,1,0,0,0,0|2,0,1]=4 146 B10R1.14 COC(=O)[C@@H]1CC[C@H](N)C1 CS-0049307 [0,1,0,0,0,0|2,0,1]=4 147 B10R1.14 COC(=O)[C@@H]1CC[C@H](N)C1 CS-0159612 [0,1,0,0,0,0|2,0,1]=4 148 B10R1.14 COC(=O)[C@H]1CCC(=O)N1 CS-0097285 [0,1,0,0,0,0|0,0,0]=1 149 B10R1.14 COC(=O)[C@H]1CC[C@@H](N)C1 CS-0042523 [0,1,0,0,0,0|2,0,1]=4 150 B10R1.14 COC(=O)[C@H]1CC[C@H](N)C1 CS-0058623 [0,1,0,0,0,0|2,0,1]=4 151 B10R1.14 COC(=O)[C@H]1COC(=O)N1 CS-0031340 [0,1,0,0,0,0|1,0,0]=2 152 B10R1.31 O=CC1=CC=C(C(=O)O)N1 CS-0019291 [0,1,0,0,0,0|0,0,3]=4 153 B10R1.194 CN1C(=O)CCC1C(N)=O CS-0617226 [0,1,0,0,0,0|1,0,0]=2 154 B10R1.194 CN1C(=O)CC[C@@H]1C(=O)O CS-0044233 [0,1,0,0,0,0|0,0,0]=1 155 B10R1.194 CN1C(=O)CC[C@H]1C(=O)O CS-0030793 [0,1,0,0,0,0|0,0,0]=1 156 B10R1.194 CN1CCC(C(=O)O)C1=O CS-0096284 [0,1,0,0,0,0|3,0,0]=4 157 B10R1.359 CC1(C)NC(C(=O)O)CS1 CS-0279311 [0,1,0,0,0,0|2,0,1]=4 158 B10R1.359 CC1(C)N[C@@H](C(=O)O)CS1 CS-0616015 [0,1,0,0,0,0|2,0,1]=4 159 B10R1.359 CC1(C)N[C@H](C(=O)O)CS1 CS-0201566 [0,1,0,0,0,0|2,0,1]=4 160 B10R1.359 CC1(C)N[C@H](C(=O)O)CS1 CS-0616217 [0,1,0,0,0,0|2,0,1]=4 161 B10R1.359 O=C(O)C1CCC(F)(F)C1 CS-W001377 [0,1,0,0,0,0|2,0,1]=4 162 B10R1.470 CN1CCC(C)(C(=O)O)C1 CS-0172046 [0,1,0,0,0,0|3,0,0]=4 163 B8R0.8 C=CCC[C@@H](N)C(=O)O CS-0100555 [0,0,1,0,0,0|1,0,0]=2 164 B8R0.8 C=CCC[C@H](N)C(=O)O CS-0100618 [0,0,1,0,0,0|1,0,0]=2 165 B8R0.8 CCCCC(N)C(=O)O CS-W013425 [0,0,1,0,0,0|1,0,1]=3 166 B8R0.8 CCCCC(O)C(=O)O CS-M0542 [0,0,1,0,0,0|2,0,1]=4 167 B8R0.8 CCCC[C@@H](N)C(=O)O CS-0019200 [0,0,1,0,0,0|1,0,1]=3 168 B8R0.8 CCCC[C@H](N)C(=O)O CS-W020710 [0,0,1,0,0,0|1,0,1]=3 169 B8R0.8 CSCCC(N)C(=O)O CS-0008889 [0,0,1,0,0,0|2,0,0]=3 170 B8R0.8 CSCCC(O)C(=O)O CS-0066284 [0,0,1,0,0,0|3,0,0]=4 171 B8R0.8 CSCC[C@@H](N)C(=O)O CS-7880 [0,0,1,0,0,0|2,0,0]=3 172 B8R0.8 CSCC[C@H](N)C(=O)O CS-W020566 [0,0,1,0,0,0|2,0,0]=3 173 B8R0.8 CSCC[C@H](N)C(N)=O CS-W016972 [0,0,1,0,0,0|3,0,0]=4 174 B8R0.8 C[Se]CCC(N)C(=O)O CS-4494 [0,0,1,0,0,0|2,0,0]=3 175 B8R0.8 C[Se]CC[C@H](N)C(=O)O CS-5178 [0,0,1,0,0,0|2,0,0]=3 176 B8R0.8 NCCCC(N)C(=O)O CS-0136494 [0,0,1,0,0,0|1,0,1]=3 177 B8R0.8 NCCC[C@@H](N)C(=O)O CS-0020076 [0,0,1,0,0,0|1,0,1]=3 178 B8R0.8 NCCC[C@H](N)C(=O)O CS-0159620 [0,0,1,0,0,0|1,0,1]=3 179 B8R0.8 NCCC[C@H](N)C(=O)O CS-4817 [0,0,1,0,0,0|1,0,1]=3 180 B8R0.8 [C@H](N)(CCCN)C(=O)O CS-W017734 [0,0,1,0,0,0|1,0,1]=3 181 B8R0.9 C=CC(=O)NCC(=O)O CS-0239984 [0,0,1,0,0,0|0,0,2]=3 182 B8R0.9 C=CC(=O)NCC(N)=O CS-0109691 [0,0,1,0,0,0|1,0,2]=4 183 B8R0.9 CC(=O)NNC(=O)CCl CS-0012373 [0,0,1,0,0,0|3,0,0]=4 184 B8R0.9 CCC(=O)NCC(=O)O CS-0643654 [0,0,1,0,0,0|0,0,0]=1 185 B8R0.9 COC(=O)CCC(=O)O CS-W011096 [0,0,1,0,0,0|2,0,0]=3 186 B8R0.9 COC(=O)CCC(C)=O CS-0023754 [0,0,1,0,0,0|3,0,0]=4 187 B8R0.9 COC(=O)CCC(N)=O CS-0453315 [0,0,1,0,0,0|3,0,0]=4 188 B8R0.9 COC(=O)NCC(=O)O CS-0150649 [0,0,1,0,0,0|1,0,0]=2 189 B8R0.9 COC(=O)\C=C/C(=O)O CS-0187530 [0,0,1,0,0,0|2,0,1]=4 190 B8R0.9 COC(=O)\C=C\C(=O)O CS-0026484 [0,0,1,0,0,0|2,0,1]=4 191 B8R0.9 NCC(=O)CCC(=O)O CS-2575 [0,0,1,0,0,0|2,0,0]=3 192 B8R0.9 NCC(=O)NCC(=O)O CS-0015211 [0,0,1,0,0,0|1,0,0]=2 193 B8R0.9 O=C(O)CCC(=O)CBr CS-0185092 [0,0,1,0,0,0|2,0,0]=3 194 B8R0.15 CCCC(CC)C(=O)O CS-0152450 [0,0,1,0,0,0|2,0,1]=4 195 B8R0.23 CC(=O)NC(C)C(=O)O CS-W011105 [0,0,1,0,0,0|0,0,0]=1 196 B8R0.23 CC(=O)N[C@@H](C)C(=O)O CS-W004066 [0,0,1,0,0,0|0,0,0]=1 197 B8R0.23 CC(=O)N[C@H](C)C(=O)O CS-W013429 [0,0,1,0,0,0|0,0,0]=1 198 B8R0.23 CC(=O)O[C@@H](C)C(=O)O CS-B0056 [0,0,1,0,0,0|1,0,0]=2 199 B8R0.23 CC(=O)O[C@H](C)C(=O)O CS-B0055 [0,0,1,0,0,0|1,0,0]=2 200 B8R0.23 CC(CC(=O)O)C(=O)O CS-W011097 [0,0,1,0,0,0|2,0,0]=3 201 B8R0.23 CS(=O)C[C@H](N)C(=O)O CS-W018120 [0,0,1,0,0,0|3,0,0]=4 202 B8R0.23 C\C(=C/C(=O)O)C(=O)O CS-0007669 [0,0,1,0,0,0|2,0,1]=4 203 B8R0.23 C\C(=C\C(=O)O)C(=O)O CS-0059543 [0,0,1,0,0,0|2,0,1]=4 204 B8R0.23 NC(=O)CC(N)C(=O)O CS-0188414 [0,0,1,0,0,0|3,0,0]=4 205 B8R0.23 NC(=O)CC(N)C(=O)O CS-W018158 [0,0,1,0,0,0|3,0,0]=4 206 B8R0.23 NC(=O)C[C@@H](N)C(=O)O CS-W011094 [0,0,1,0,0,0|3,0,0]=4 207 B8R0.23 NC(=O)C[C@@H](N)C(=O)O CS-W018160 [0,0,1,0,0,0|3,0,0]=4 208 B8R0.23 NC(=O)C[C@H](N)C(=O)O CS-0009702 [0,0,1,0,0,0|3,0,0]=4 209 B8R0.23 NC(CC(=O)O)C(=O)O CS-W016540 [0,0,1,0,0,0|3,0,0]=4 210 B8R0.23 N[C@@H](CC(=O)O)C(=O)O CS-0009701 [0,0,1,0,0,0|3,0,0]=4 211 B8R0.23 N[C@H](CC(=O)O)C(=O)O CS-0020434 [0,0,1,0,0,0|3,0,0]=4 212 B8R0.23 O=C(O)CC(O)C(=O)O CS-0017784 [0,0,1,0,0,0|3,0,0]=4 213 B8R0.23 O=C(O)CC(O)C(=O)O CS-0757668 [0,0,1,0,0,0|3,0,0]=4 214 B8R0.23 O=C(O)CC(S)C(=O)O CS-W010986 [0,0,1,0,0,0|3,0,0]=4 215 B8R0.23 O=C(O)C[C@@H](O)C(=O)O CS-B0824 [0,0,1,0,0,0|3,0,0]=4 216 B8R0.23 O=C(O)C[C@H](O)C(=O)O CS-W020132 [0,0,1,0,0,0|3,0,0]=4 217 B8R0.28 CC(=O)CCCC(=O)O CS-W001957 [0,0,1,0,0,0|1,0,0]=2 218 B8R0.28 CC(=O)NCCC(=O)O CS-0005652 [0,0,1,0,0,0|2,0,0]=3 219 B8R0.28 CC(=O)SCCC(=O)O CS-W018187 [0,0,1,0,0,0|2,0,0]=3 220 B8R0.28 CC(O)CCCC(=O)[O-] CS-0263549 [0,0,1,0,0,0|2,0,1]=4 221 B8R0.28 CN(C)CCCC(=O)O CS-0117583 [0,0,1,0,0,0|3,0,0]=4 222 B8R0.28 CN(C)CCCC(=O)O CS-W007989 [0,0,1,0,0,0|3,0,0]=4 223 B8R0.28 N=C(N)NCCC(=O)O CS-W016544 [0,0,1,0,0,0|2,0,0]=3 224 B8R0.28 N=C(N)SCCC(=O)O CS-W018186 [0,0,1,0,0,0|2,0,0]=3 225 B8R0.28 NC(=O)CCCC(N)=O CS-0012581 [0,0,1,0,0,0|1,0,0]=2 226 B8R0.28 NC(=O)COCC(=O)O CS-0318293 [0,0,1,0,0,0|1,0,0]=2 227 B8R0.28 NC(=O)NCCC(=O)O CS-0059512 [0,0,1,0,0,0|1,0,0]=2 228 B8R0.28 O=C(O)CCCC(=O)O CS-W009536 [0,0,1,0,0,0|1,0,0]=2 229 B8R0.28 O=C(O)CCC[N+](=O)[O-] CS-0198123 [0,0,1,0,0,0|2,0,0]=3 230 B8R0.28 O=C(O)CNCC(=O)O CS-W013399 [0,0,1,0,0,0|2,0,0]=3 231 B8R0.28 O=C(O)COCC(=O)O CS-0158474 [0,0,1,0,0,0|2,0,0]=3 232 B8R0.28 O=C(O)CSCC(=O)O CS-W013299 [0,0,1,0,0,0|2,0,0]=3 233 B8R0.28 O=C(O)\C=C\CC(=O)O CS-0106651 [0,0,1,0,0,0|1,0,2]=4 234 B8R0.28 O=C([O-])CNCC(=O)[O-] CS-0197956 [0,0,1,0,0,0|2,0,1]=4 235 B8R0.28 O=C([O-])CNCC(=O)[O-] CS-0621903 [0,0,1,0,0,0|2,0,1]=4 236 B10R2.178 O=C1CCC2CCC1N2 CS-0049978 [0,0,0,1,0,0|2,0,1]=4 237 B10R2.357 NC(=O)[C@@H]1C[C@@H]2C[C@@H]2N1 CS-0186033 [0,0,0,1,0,0|2,0,1]=4 238 B8R1.23 C=C1CC(C(=O)O)C1 CS-M1233 [0,0,0,0,1,0|2,0,0]=3 239 B8R1.23 CC1CC(C(=O)O)C1 CS-W006107 [0,0,0,0,1,0|2,0,1]=4 240 B8R1.23 CN1CC(C(=O)O)C1 CS-W004004 [0,0,0,0,1,0|3,0,0]=4 241 B8R1.23 N[C@H]1C[C@@H](C(=O)O)C1 CS-0043980 [0,0,0,0,1,0|2,0,1]=4 242 B8R1.23 O=C(O)C1CC(Cl)C1 CS-0051401 [0,0,0,0,1,0|2,0,1]=4 243 B8R1.23 O=C(O)C1CC(F)C1 CS-0036337 [0,0,0,0,1,0|2,0,1]=4 244 B8R1.23 O=C(O)[C@H]1C[C@H](Br)C1 CS-0179205 [0,0,0,0,1,0|2,0,1]=4 245 B8R1.23 O=C(O)[C@H]1C[C@H](O)C1 CS-W018750 [0,0,0,0,1,0|1,0,2]=4 246 B8R1.23 O=C1CC(C(=O)O)C1 CS-D1519 [0,0,0,0,1,0|1,0,0]=2 247 B8R1.23 O=C1CC(C(=O)O)N1 CS-W019929 [0,0,0,0,1,0|0,0,0]=1 248 B8R1.23 O=C1C[C@@H](C(=O)O)N1 CS-W013626 [0,0,0,0,1,0|0,0,0]=1 249 B8R1.23 [C@H]1(O)C[C@@H](C(=O)O)C1 CS-W005391 [0,0,0,0,1,0|1,0,2]=4 250 B10R1.13 CC1=CCC(C(=O)O)CC1 CS-0152877 [0,0,0,0,0,1|2,0,0]=3 251 B10R1.13 CC1CCC(C(=O)O)CC1 CS-0096911 [0,0,0,0,0,1|2,0,1]=4 252 B10R1.13 CC1COC(C(=O)O)CN1 CS-0163346 [0,0,0,0,0,1|2,0,1]=4 253 B10R1.13 CN1CCC(C(=O)O)CC1 CS-W003320 [0,0,0,0,0,1|3,0,0]=4 254 B10R1.13 CN1CCC(C(=O)O)CC1 CS-W004085 [0,0,0,0,0,1|3,0,0]=4 255 B10R1.13 C[C@H]1CC[C@H](C(=O)O)CC1 CS-0035994 [0,0,0,0,0,1|2,0,1]=4 256 B10R1.13 NC(=O)C1CCC(=O)CC1 CS-W022230 [0,0,0,0,0,1|2,0,0]=3 257 B10R1.13 NC1=NCC(C(=O)O)CN1 CS-0086104 [0,0,0,0,0,1|2,0,0]=3 258 B10R1.13 NC1CCC(C(=O)O)CC1 CS-W016414 [0,0,0,0,0,1|2,0,1]=4 259 B10R1.13 N[C@H]1CC[C@H](C(=O)O)CC1 CS-0017964 [0,0,0,0,0,1|2,0,1]=4 260 B10R1.13 O=C(O)C1CCC(O)CC1 CS-W016391 [0,0,0,0,0,1|1,0,2]=4 261 B10R1.13 O=C(O)[C@@H]1CC[C@H](O)CN1 CS-0054782 [0,0,0,0,0,1|0,0,2]=3 262 B10R1.13 O=C(O)[C@@H]1CC[C@H](O)CN1 CS-W007250 [0,0,0,0,0,1|0,0,2]=3 263 B10R1.13 O=C(O)[C@H]1CC[C@@H](O)CC1 CS-0049675 [0,0,0,0,0,1|1,0,2]=4 264 B10R1.13 O=C(O)[C@H]1CC[C@H](O)CC1 CS-M0763 [0,0,0,0,0,1|1,0,2]=4 265 B10R1.13 O=C1CCC(C(=O)O)=NN1 CS-0044466 [0,0,0,0,0,1|0,0,1]=2 266 B10R1.13 O=C1CCC(C(=O)O)CC1 CS-W004786 [0,0,0,0,0,1|1,0,0]=2 267 B10R1.13 O=C1CCC(C(=O)O)CN1 CS-0050149 [0,0,0,0,0,1|0,0,0]=1 268 B10R1.13 O=C1CCC(C(=O)O)NC1 CS-M3492 [0,0,0,0,0,1|0,0,0]=1 269 B10R1.13 [C@H]1(N)CC[C@@H](C(=O)O)CC1 CS-W005514 [0,0,0,0,0,1|2,0,1]=4 270 B10R1.13 [C@H]1(N)CC[C@H](C(=O)O)CC1 CS-W008392 [0,0,0,0,0,1|2,0,1]=4 271 B10R1.54 O=C(O)CC1CCC(=O)C1 CS-0145408 [0,0,0,0,0,1|1,0,0]=2 272 B10R1.113 CC(C)[C@H]1COCC(=O)N1 CS-0093792 [0,0,0,0,0,1|2,0,1]=4 273 B10R1.113 CC1CCCC(C(=O)O)C1 CS-0204578 [0,0,0,0,0,1|2,0,1]=4 274 B10R1.113 CC1CCCC(C(=O)O)N1 CS-0039203 [0,0,0,0,0,1|1,0,1]=3 275 B10R1.113 CN1CCCC(C(=O)O)C1 CS-0052422 [0,0,0,0,0,1|3,0,0]=4 276 B10R1.113 CN1CCOC(C(=O)O)C1 CS-0151064 [0,0,0,0,0,1|3,0,0]=4 277 B10R1.113 NC1CCCC(C(=O)O)C1 CS-W016417 [0,0,0,0,0,1|2,0,1]=4 278 B10R1.113 NC1CCCC(C(=O)O)C1 CS-W022616 [0,0,0,0,0,1|2,0,1]=4 279 B10R1.113 N[C@H]1CCC[C@@H](C(=O)O)C1 CS-0049713 [0,0,0,0,0,1|2,0,1]=4 280 B10R1.113 O=C(O)C1CCCC(O)C1 CS-0155422 [0,0,0,0,0,1|1,0,2]=4 281 B10R1.113 O=C1C=CC=C(C(=O)O)N1 CS-W002504 [0,0,0,0,0,1|0,0,3]=4 282 B10R1.113 O=C1CC(C(=O)O)CCN1 CS-W006096 [0,0,0,0,0,1|1,0,0]=2 283 B10R1.113 O=C1CCCC(C(=O)O)C1 CS-0044016 [0,0,0,0,0,1|1,0,0]=2 284 B10R1.113 O=C1CCCC(C(=O)O)N1 CS-0099890 [0,0,0,0,0,1|0,0,0]=1 285 B10R1.113 O=C1CCC[C@@H](C(=O)O)N1 CS-W018258 [0,0,0,0,0,1|0,0,0]=1 286 B10R1.113 O=C1CCC[C@H](C(=O)O)N1 CS-0101607 [0,0,0,0,0,1|0,0,0]=1 287 B10R1.113 O=C1CSCC(C(=O)O)N1 CS-0345470 [0,0,0,0,0,1|0,0,0]=1 288 B10R1.113 O=C1N=CC=C(C(=O)O)N1 CS-0019355 [0,0,0,0,0,1|0,0,3]=4 289 B7R0.4 C#CCCCC(=O)O CS-W009272 [1,0,1,0,0,0|1,0,1]=4 290 B7R0.4 C=CCCCC(=O)O CS-0113496 [1,0,1,0,0,0|1,0,0]=3 291 B7R0.4 CCCNCC(=O)O CS-0250530 [1,0,1,0,0,0|0,0,1]=3 292 B7R0.4 CCCOCC(=O)O CS-0152048 [1,0,1,0,0,0|1,0,1]=4 293 B7R0.4 CCCSCC(=O)O CS-0651549 [1,0,1,0,0,0|1,0,1]=4 294 B7R0.4 CC\C=C\CC(=O)O CS-W011248 [1,0,1,0,0,0|1,0,0]=3 295 B7R0.4 CNCCCC(=O)O CS-0096860 [1,0,1,0,0,0|2,0,0]=4 296 B7R0.4 CNCCCC(=O)O CS-0133777 [1,0,1,0,0,0|2,0,0]=4 297 B7R0.4 COCCCC(=O)O CS-W001021 [1,0,1,0,0,0|2,0,0]=4 298 B7R0.4 C\C=C\CCC(=O)O CS-0232064 [1,0,1,0,0,0|1,0,1]=4 299 B7R0.4 N#CCCCC(=O)O CS-W018817 [1,0,1,0,0,0|0,0,2]=4 300 B7R0.4 NCCCCC(=O)O CS-0181832 [1,0,1,0,0,0|0,0,1]=3 301 B7R0.4 NCCCCC(=O)O CS-W016594 [1,0,1,0,0,0|0,0,1]=3 302 B7R0.4 NCCNCC(=O)O CS-W013599 [1,0,1,0,0,0|1,0,1]=4 303 B7R0.4 NCCOCC(=O)O CS-0115741 [1,0,1,0,0,0|1,0,1]=4 304 B7R0.4 NCCOCC(=O)O CS-0115743 [1,0,1,0,0,0|1,0,1]=4 305 B7R0.4 NCCOCC(=O)O CS-0127947 [1,0,1,0,0,0|1,0,1]=4 306 B7R0.4 O=C(O)CCCCBr CS-W017172 [1,0,1,0,0,0|1,0,1]=4 307 B7R0.4 O=C(O)CCCCCl CS-W022362 [1,0,1,0,0,0|1,0,1]=4 308 B7R0.4 O=C(O)CNCCO CS-0158315 [1,0,1,0,0,0|1,0,1]=4 309 B7R0.5 C#CCC(N)C(=O)O CS-W020864 [1,0,1,0,0,0|0,0,2]=4 310 B7R0.5 C#CC[C@@H](N)C(=O)O CS-W006437 [1,0,1,0,0,0|0,0,2]=4 311 B7R0.5 C#CC[C@H](N)C(=O)O CS-0101207 [1,0,1,0,0,0|0,0,2]=4 312 B7R0.5 C#CC[C@H](N)C(=O)O CS-W006064 [1,0,1,0,0,0|0,0,2]=4 313 B7R0.5 C=CCC(C)C(=O)O CS-W013638 [1,0,1,0,0,0|1,0,1]=4 314 B7R0.5 C=CCC(N)C(=O)O CS-0060001 [1,0,1,0,0,0|0,0,1]=3 315 B7R0.5 C=CC[C@H](N)C(=O)O CS-W013622 [1,0,1,0,0,0|0,0,1]=3 316 B7R0.5 C=CC[C@H](N)C(=O)O CS-W016311 [1,0,1,0,0,0|0,0,1]=3 317 B7R0.5 CCCC(C)C(=O)O CS-W011232 [1,0,1,0,0,0|1,0,1]=4 318 B7R0.5 CCCC(N)C(=O)O CS-W011226 [1,0,1,0,0,0|0,0,1]=3 319 B7R0.5 CCC[C@@H](N)C(=O)O CS-0015963 [1,0,1,0,0,0|0,0,1]=3 320 B7R0.5 CCC[C@H](N)C(=O)O CS-D1371 [1,0,1,0,0,0|0,0,1]=3 321 B7R0.5 CCC[C@H](O)C(=O)O CS-W007126 [1,0,1,0,0,0|1,0,1]=4 322 B7R0.5 CNC[C@H](N)C(=O)O CS-W016262 [1,0,1,0,0,0|1,0,1]=4 323 B7R0.5 COCC(N)C(=O)O CS-W013587 [1,0,1,0,0,0|1,0,1]=4 324 B7R0.5 COC[C@@H](N)C(=O)O CS-0031341 [1,0,1,0,0,0|1,0,1]=4 325 B7R0.5 COC[C@@H](N)C(=O)O CS-M1253 [1,0,1,0,0,0|1,0,1]=4 326 B7R0.5 COC[C@H](N)C(=O)O CS-0031368 [1,0,1,0,0,0|1,0,1]=4 327 B7R0.5 COC[C@H](N)C(=O)O CS-W006151 [1,0,1,0,0,0|1,0,1]=4 328 B7R0.5 CSCC(N)C(=O)O CS-0071070 [1,0,1,0,0,0|1,0,1]=4 329 B7R0.5 CSC[C@@H](N)C(=O)O CS-0804731 [1,0,1,0,0,0|1,0,1]=4 330 B7R0.5 CSC[C@H](N)C(=O)O CS-7653 [1,0,1,0,0,0|1,0,1]=4 331 B7R0.5 C[Se]C[C@H](N)C(=O)O CS-0080570 [1,0,1,0,0,0|1,0,1]=4 332 B7R0.5 N#CC[C@H](N)C(=O)O CS-0099303 [1,0,1,0,0,0|1,0,1]=4 333 B7R0.5 NC(CCO)C(=O)O CS-W013586 [1,0,1,0,0,0|0,0,1]=3 334 B7R0.5 NC(CCS)C(=O)O CS-W021561 [1,0,1,0,0,0|0,1,0]=3 335 B7R0.5 NCCC(F)C(=O)O CS-0094454 [1,0,1,0,0,0|2,0,0]=4 336 B7R0.5 NCCC(N)C(=O)O CS-W010735 [1,0,1,0,0,0|1,0,0]=3 337 B7R0.5 NCC[C@H](N)C(=O)O CS-0169369 [1,0,1,0,0,0|1,0,0]=3 338 B7R0.5 NCC[C@H](N)C(=O)O CS-6314 [1,0,1,0,0,0|1,0,0]=3 339 B7R0.5 NCC[C@H](O)C(=O)O CS-W002667 [1,0,1,0,0,0|2,0,0]=4 340 B7R0.5 N[C@@H](CCO)C(=O)O CS-W002292 [1,0,1,0,0,0|0,0,1]=3 341 B7R0.5 N[C@@H](CCS)C(=O)O CS-W011063 [1,0,1,0,0,0|0,1,0]=3 342 B7R0.5 N[C@H](CCO)C(=O)O CS-W011215 [1,0,1,0,0,0|0,0,1]=3 343 B7R0.5 [C@@H](N)(CC=C)C(=O)O CS-W013623 [1,0,1,0,0,0|0,0,1]=3 344 B7R0.5 [C@H](N)(CCN)C(=O)O CS-W010734 [1,0,1,0,0,0|1,0,0]=3 345 B7R0.6 C=C(C)CCC(=O)O CS-0040142 [1,0,1,0,0,0|2,0,0]=4 346 B7R0.6 CC(=O)CCC(=O)O CS-0015813 [1,0,1,0,0,0|1,0,0]=3 347 B7R0.6 CC(=O)CCC(C)=O CS-D1203 [1,0,1,0,0,0|2,0,0]=4 348 B7R0.6 CC(=O)CNC(C)=O CS-0154040 [1,0,1,0,0,0|1,0,0]=3 349 B7R0.6 CC(=O)NCC(=O)O CS-W020121 [1,0,1,0,0,0|0,0,0]=2 350 B7R0.6 CC(=O)OCC(=O)O CS-0155005 [1,0,1,0,0,0|1,0,0]=3 351 B7R0.6 CC(=O)SCC(=O)O CS-0083252 [1,0,1,0,0,0|1,0,0]=3 352 B7R0.6 CC(=O)\C=C\C(=O)O CS-0155153 [1,0,1,0,0,0|1,0,1]=4 353 B7R0.6 CC(=S)NCC(=O)O CS-0504830 [1,0,1,0,0,0|0,1,0]=3 354 B7R0.6 N=C(N)NCC(=O)O CS-0040590 [1,0,1,0,0,0|2,0,0]=4 355 B7R0.6 NC(=O)NCC(=O)O CS-0204817 [1,0,1,0,0,0|1,0,0]=3 356 B7R0.6 O=C(O)CCC(=O)O CS-0008946 [1,0,1,0,0,0|2,0,0]=4 357 B7R0.6 O=C(O)CCC(=O)O CS-0966740 [1,0,1,0,0,0|2,0,0]=4 358 B7R0.15 [C@@H](CO)(NC)C(=O)O CS-W013588 [1,0,1,0,0,0|1,0,1]=4 359 B7R0.2 C=CC(C)OC(C)=O CS-0139597 [1,0,1,0,0,0|2,0,0]=4 360 B7R1.1 O=CC1CCOC1 CS-W004272 [2,0,0,0,0,0|2,0,0]=4 361 B7R1.1 OCC1CCCN1 CS-W007622 [2,0,0,0,0,0|0,0,2]=4 362 B7R1.1 OC[C@@H]1CCCN1 CS-D1460 [2,0,0,0,0,0|0,0,2]=4 363 B7R1.1 OC[C@H]1CCCN1 CS-D1509 [2,0,0,0,0,0|0,0,2]=4 364 B7R1.2 CC1CCC(=O)O1 CS-W016654 [2,0,0,0,0,0|1,0,1]=4 365 B7R1.2 CC1COC(=O)N1 CS-0181060 [2,0,0,0,0,0|1,0,1]=4 366 B7R1.2 C[C@@H]1CCC(=O)N1 CS-0046592 [2,0,0,0,0,0|0,0,1]=3 367 B7R1.2 C[C@@H]1COC(=O)N1 CS-0158229 [2,0,0,0,0,0|1,0,1]=4 368 B7R1.2 C[C@H]1CCC(=O)N1 CS-0046594 [2,0,0,0,0,0|0,0,1]=3 369 B7R1.2 C[C@H]1COC(=O)N1 CS-0059840 [2,0,0,0,0,0|1,0,1]=4 370 B7R1.2 O=C1CC(O)CN1 CS-W018808 [2,0,0,0,0,0|2,0,0]=4 371 B7R1.2 O=C1CCC(=O)C1 CS-D0815 [2,0,0,0,0,0|1,0,1]=4 372 B7R1.2 O=C1CCC(=O)N1 CS-0019112 [2,0,0,0,0,0|0,0,1]=3 373 B7R1.2 O=C1CCC(=O)O1 CS-0011581 [2,0,0,0,0,0|1,0,1]=4 374 B7R1.2 O=C1CCC(O)C1 CS-0051334 [2,0,0,0,0,0|1,0,0]=3 375 B7R1.2 O=C1CNC(=O)N1 CS-W011328 [2,0,0,0,0,0|1,0,1]=4 376 B7R1.2 O=C1COC(=O)N1 CS-0005564 [2,0,0,0,0,0|1,0,1]=4 377 B7R1.2 O=C1CSC(=O)N1 CS-W019917 [2,0,0,0,0,0|1,0,1]=4 378 B7R1.2 O=C1C[C@@H](O)CN1 CS-W013709 [2,0,0,0,0,0|2,0,0]=4 379 B7R1.2 O=C1C[C@H](O)CN1 CS-W002597 [2,0,0,0,0,0|2,0,0]=4 380 B7R1.2 [C@@H]1(O)COC(=O)C1 CS-W013702 [2,0,0,0,0,0|2,0,0]=4 381 B9R0.7 CC(=O)OC[C@H](N)C(=O)O CS-0102562 [0,1,1,0,0,0|1,0,0]=3 382 B9R0.7 CC(=O)OC[C@H](N)C(=O)O CS-6301 [0,1,1,0,0,0|1,0,0]=3 383 B9R0.7 CC(C)CC[C@@H](N)C(=O)O CS-0154245 [0,1,1,0,0,0|1,0,1]=4 384 B9R0.7 CC(C)CC[C@H](N)C(=O)O CS-0498852 [0,1,1,0,0,0|1,0,1]=4 385 B9R0.7 CC(CCC(=O)O)C(=O)O CS-W018240 [0,1,1,0,0,0|1,0,0]=3 386 B9R0.7 CS(=O)CCC(N)C(=O)O CS-0059319 [0,1,1,0,0,0|1,0,0]=3 387 B9R0.7 C[C@H](NCC(=O)O)C(=O)O CS-0158276 [0,1,1,0,0,0|2,0,0]=4 388 B9R0.7 C[S+](C)CCC(N)C(=O)O CS-0083177 [0,1,1,0,0,0|2,0,0]=4 389 B9R0.7 N=C(N)NC[C@H](N)C(=O)O CS-0162060 [0,1,1,0,0,0|2,0,0]=4 390 B9R0.7 NC(=O)CCC(N)C(=O)O CS-4898 [0,1,1,0,0,0|0,0,0]=2 391 B9R0.7 NC(=O)CC[C@@H](N)C(=O)O CS-6029 [0,1,1,0,0,0|0,0,0]=2 392 B9R0.7 NC(=O)CC[C@H](N)C(=O)O CS-1947 [0,1,1,0,0,0|0,0,0]=2 393 B9R0.7 NC(=O)NC[C@H](N)C(=O)O CS-0079579 [0,1,1,0,0,0|1,0,0]=3 394 B9R0.7 NC(=O)[C@@H](N)CCC(=O)O CS-W018237 [0,1,1,0,0,0|1,0,0]=3 395 B9R0.7 NC(CCC(=O)O)C(=O)O CS-W010824 [0,1,1,0,0,0|0,0,0]=2 396 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O CS-0003473 [0,1,1,0,0,0|0,0,0]=2 397 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O CS-0043360 [0,1,1,0,0,0|0,0,0]=2 398 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O CS-0539410 [0,1,1,0,0,0|0,0,0]=2 399 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O CS-W017035 [0,1,1,0,0,0|0,0,0]=2 400 B9R0.7 N[C@H](CCC(=O)O)C(=O)O CS-6255 [0,1,1,0,0,0|0,0,0]=2 401 B9R0.7 O=C(O)CCC(=O)C(=O)O CS-W014352 [0,1,1,0,0,0|1,0,1]=4 402 B9R0.7 [C@H](N)(CCS(C)=O)C(=O)O CS-W010820 [0,1,1,0,0,0|1,0,0]=3 403 B9R0.8 CCCCC(N)C(=O)OC CS-W017144 [0,1,1,0,0,0|1,0,1]=4 404 B9R0.8 CCCC[C@H](N)C(=O)OC CS-0152444 [0,1,1,0,0,0|1,0,1]=4 405 B9R0.8 COC(=O)C(N)CCSC CS-0169307 [0,1,1,0,0,0|2,0,0]=4 406 B9R0.8 COC(=O)[C@@H](N)CCCN CS-W010477 [0,1,1,0,0,0|1,0,1]=4 407 B9R0.8 COC(=O)[C@@H](N)CCSC CS-W015632 [0,1,1,0,0,0|2,0,0]=4 408 B9R0.8 COC(=O)[C@H](N)CCSC CS-W015633 [0,1,1,0,0,0|2,0,0]=4 409 B9R0.13 CN[C@@H](CCSC)C(=O)O CS-0511030 [0,1,1,0,0,0|2,0,0]=4 410 B9R0.47 C#CCSC[C@H](N)C(=O)O CS-W001538 [0,1,1,0,0,0|1,0,1]=4 411 B9R0.47 C=CCSCC(N)C(=O)O CS-0539408 [0,1,1,0,0,0|1,0,0]=3 412 B9R0.47 C=CCSC[C@@H](N)C(=O)O CS-0100203 [0,1,1,0,0,0|1,0,0]=3 413 B9R0.47 C=CCSC[C@H](N)C(=O)O CS-W014289 [0,1,1,0,0,0|1,0,0]=3 414 B9R0.47 CCCCCC(N)C(=O)O CS-W016364 [0,1,1,0,0,0|1,0,1]=4 415 B9R0.47 CCCCC[C@@H](N)C(=O)O CS-0152364 [0,1,1,0,0,0|1,0,1]=4 416 B9R0.47 CCCCC[C@H](N)C(=O)O CS-W018819 [0,1,1,0,0,0|1,0,1]=4 417 B9R0.47 CCSCC[C@H](N)C(=O)O CS-W017916 [0,1,1,0,0,0|1,0,1]=4 418 B9R0.47 CC[Se]CCC(N)C(=O)O CS-0640882 [0,1,1,0,0,0|1,0,1]=4 419 B9R0.47 NCCCCC(N)C(=O)O CS-0071275 [0,1,1,0,0,0|1,0,1]=4 420 B9R0.47 NCCCCC(N)C(=O)O CS-0201768 [0,1,1,0,0,0|1,0,1]=4 421 B9R0.47 NCCCCC(N)C(=O)O CS-7806 [0,1,1,0,0,0|1,0,1]=4 422 B9R0.47 NCCCC[C@@H](N)C(=O)O CS-0016215 [0,1,1,0,0,0|1,0,1]=4 423 B9R0.47 NCCCC[C@@H](N)C(=O)O CS-D1670 [0,1,1,0,0,0|1,0,1]=4 424 B9R0.47 NCCCC[C@H](N)C(=O)O CS-1184636 [0,1,1,0,0,0|1,0,1]=4 425 B9R0.47 NCCCC[C@H](N)C(=O)O CS-7885 [0,1,1,0,0,0|1,0,1]=4 426 B9R0.47 NCCCC[C@H](N)C(=O)O CS-W016086 [0,1,1,0,0,0|1,0,1]=4 427 B9R0.47 NCCCC[C@H](N)C(=O)O CS-W019758 [0,1,1,0,0,0|1,0,1]=4 428 B9R0.47 [C@@H](N)(CCSCC)C(=O)O CS-W017917 [0,1,1,0,0,0|1,0,1]=4 429 B9R0.23 CN(CC(=O)O)C(=O)CN CS-W010992 [0,1,1,0,0,0|1,0,0]=3 430 B9R0.23 COC(=O)C(N)CC(=O)O CS-0101210 [0,1,1,0,0,0|2,0,0]=4 431 B9R0.23 COC(=O)[C@@H](N)CC(=O)O CS-W018215 [0,1,1,0,0,0|2,0,0]=4 432 B9R0.23 COC(=O)[C@H](N)CC(=O)O CS-0128336 [0,1,1,0,0,0|2,0,0]=4 433 B9R0.24 CCC(=O)CCC(=O)CC CS-0152646 [0,1,1,0,0,0|2,0,0]=4 434 B9R0.24 COC(=O)CCC(=O)CBr CS-0042170 [0,1,1,0,0,0|2,0,0]=4 435 B9R0.24 COC(=O)CCC(=O)CN CS-W009212 [0,1,1,0,0,0|2,0,0]=4 436 B9R0.24 COC(=O)CCC(=O)OC CS-0015787 [0,1,1,0,0,0|2,0,0]=4 437 B9R0.24 COC(=O)CNC(=O)CN CS-0150654 [0,1,1,0,0,0|1,0,0]=3 438 B9R0.48 CCOC(=O)CCC(=O)O CS-W013313 [0,1,1,0,0,0|1,0,0]=3 439 B9R0.48 CCOC(=O)CCC(C)=O CS-0204023 [0,1,1,0,0,0|2,0,0]=4 440 B9R0.48 CCOC(=O)NCC(=O)O CS-0106586 [0,1,1,0,0,0|0,0,0]=2 441 B9R0.48 CCOC(=O)\C=C\C(=O)O CS-0030808 [0,1,1,0,0,0|1,0,1]=4 442 B9R0.15 C=CCC(CCC)C(=O)O CS-0084156 [0,1,1,0,0,0|2,0,0]=4 443 B9R0.33 C=CCC(C(=O)O)C(C)C CS-0069966 [0,1,1,0,0,0|2,0,0]=4 444 B9R0.39 CC(=O)NC(CO)C(=O)O CS-0201876 [0,1,1,0,0,0|1,0,0]=3 445 B9R0.39 CC(=O)NC(CS)C(=O)O CS-0071230 [0,1,1,0,0,0|1,0,0]=3 446 B9R0.39 CC(=O)N[C@@H](CO)C(=O)O CS-0167102 [0,1,1,0,0,0|1,0,0]=3 447 B9R0.39 CC(=O)N[C@@H](CS)C(=O)O CS-2160 [0,1,1,0,0,0|1,0,0]=3 448 B9R0.39 CC(=O)N[C@H](CS)C(=O)O CS-0128949 [0,1,1,0,0,0|1,0,0]=3 449 B9R0.39 CCC(NC(C)=O)C(=O)O CS-0120033 [0,1,1,0,0,0|0,0,0]=2 450 B9R0.39 CC[C@@H](NC(C)=O)C(=O)O CS-0153928 [0,1,1,0,0,0|0,0,0]=2 451 B9R0.39 CNC(CC(=O)O)C(=O)O CS-W018216 [0,1,1,0,0,0|2,0,0]=4 452 B9R0.39 CN[C@H](CC(=O)O)C(=O)O CS-2194 [0,1,1,0,0,0|2,0,0]=4 453 B9R0.11 CC(C)(CC(=O)O)C(=O)O CS-W016357 [0,1,1,0,0,0|2,0,0]=4 454 B9R0.11 CC(O)(CC(=O)O)C(=O)O CS-0231763 [0,1,1,0,0,0|2,0,0]=4 455 B9R0.79 CC(C(=O)O)C(C)C(=O)O CS-0217793 [0,1,1,0,0,0|2,0,0]=4 456 B9R0.79 C[C@H](C(=O)O)[C@@H](C)C(=O)O CS-0037182 [0,1,1,0,0,0|2,0,0]=4 457 B9R0.1 COC(=O)CCCC(=O)O CS-W018239 [0,1,1,0,0,0|1,0,0]=3 458 B9R0.1 COC(=O)CCCC(C)=O CS-0090564 [0,1,1,0,0,0|1,0,0]=3 459 B9R0.1 COC(=O)CCC[N+](=O)[O-] CS-0039131 [0,1,1,0,0,0|2,0,0]=4 460 B9R0.53 CC(CC(=O)O)CC(=O)O CS-0059397 [0,1,1,0,0,0|1,0,0]=3 461 B9R0.53 CN(CC(=O)O)CC(=O)O CS-W007872 [0,1,1,0,0,0|2,0,0]=4 462 B9R0.53 NC(CC(=O)O)CC(=O)O CS-0158462 [0,1,1,0,0,0|1,0,0]=3 463 B9R0.53 NC(CC(=O)O)CC(=O)O CS-0161137 [0,1,1,0,0,0|1,0,0]=3 464 B9R0.53 O=C(O)CC(=O)CC(=O)O CS-W007752 [0,1,1,0,0,0|1,0,1]=4 465 B9R1.22 O=C1C[C@H](O)[C@@H](CO)O1 CS-0053170 [1,1,0,0,0,0|1,0,1]=4 466 B9R1.132 CN1C(=O)CCC1CO CS-W001672 [1,1,0,0,0,0|0,0,1]=3 467 B9R1.11 CNC(=O)[C@@H]1CCCN1 CS-WAA0154 [1,1,0,0,0,0|1,0,1]=4 468 B9R1.11 COC(=O)C1CC=CC1 CS-W003142 [1,1,0,0,0,0|1,0,1]=4 469 B9R1.11 COC(=O)C1CCCC1 CS-W005310 [1,1,0,0,0,0|1,0,1]=4 470 B9R1.11 COC(=O)C1CCCN1 CS-W004744 [1,1,0,0,0,0|0,0,1]=3 471 B9R1.11 COC(=O)C1CCCO1 CS-0096501 [1,1,0,0,0,0|1,0,1]=4 472 B9R1.11 COC(=O)C1CCNC1 CS-W001842 [1,1,0,0,0,0|2,0,0]=4 473 B9R1.11 COC(=O)C1CCOC1 CS-W004271 [1,1,0,0,0,0|2,0,0]=4 474 B9R1.11 COC(=O)[C@@H]1CCCN1 CS-M0706 [1,1,0,0,0,0|0,0,1]=3 475 B9R1.11 COC(=O)[C@@H]1CCNC1 CS-B0685 [1,1,0,0,0,0|2,0,0]=4 476 B9R1.11 O=C(O[Na])[C@@H]1CCCN1 CS-0091626 [1,1,0,0,0,0|0,0,1]=3 477 B9R1.11 [C@H]1(C(=O)OC)CCCN1 CS-W010818 [1,1,0,0,0,0|0,0,1]=3 478 B9R1.11 [C@H]1(C(=O)OC)CCNC1 CS-W005089 [1,1,0,0,0,0|2,0,0]=4 479 B9R1.41 CC1CCCC1C(=O)O CS-0047145 [1,1,0,0,0,0|1,0,1]=4 480 B9R1.41 CC1CNCC1C(=O)O CS-0460956 [1,1,0,0,0,0|2,0,0]=4 481 B9R1.41 CN1CCCC1C(=O)O CS-B1576 [1,1,0,0,0,0|0,0,1]=3 482 B9R1.41 CN1CCC[C@@H]1C(=O)O CS-W001861 [1,1,0,0,0,0|0,0,1]=3 483 B9R1.41 CN1CCC[C@@H]1C(=O)O CS-W001913 [1,1,0,0,0,0|0,0,1]=3 484 B9R1.41 CN1CCC[C@H]1C(=O)O CS-B1517 [1,1,0,0,0,0|0,0,1]=3 485 B9R1.41 CN1CCC[C@H]1C(N)=O CS-0162641 [1,1,0,0,0,0|1,0,1]=4 486 B9R1.41 CN1CSCC1C(=O)O CS-0597627 [1,1,0,0,0,0|1,0,1]=4 487 B9R1.41 N[C@@H]1CCC[C@H]1C(=O)O CS-0120592 [1,1,0,0,0,0|1,0,1]=4 488 B9R1.41 N[C@H]1CCC[C@@H]1C(=O)O CS-0130164 [1,1,0,0,0,0|1,0,1]=4 489 B9R1.41 N[C@H]1CCC[C@H]1C(=O)O CS-0130633 [1,1,0,0,0,0|1,0,1]=4 490 B9R1.41 O=C(O)C1NCCC1O CS-0465857 [1,1,0,0,0,0|0,0,1]=3 491 B9R1.41 O=C(O)[C@@H]1NCC[C@H]1O CS-0058698 [1,1,0,0,0,0|0,0,1]=3 492 B9R1.41 O=C(O)[C@H]1NCC[C@H]1O CS-0184644 [1,1,0,0,0,0|0,0,1]=3 493 B9R1.41 [C@H]1(O)CCN[C@@H]1C(=O)O CS-W006575 [1,1,0,0,0,0|0,0,1]=3 494 B9R1.163 CC1(C(=O)O)CCCC1 CS-0135257 [1,1,0,0,0,0|1,0,1]=4 495 B9R1.163 CC1(C(=O)O)CCCO1 CS-0100004 [1,1,0,0,0,0|1,0,1]=4 496 B9R1.163 CC1(C(=O)O)CCNC1 CS-0091785 [1,1,0,0,0,0|2,0,0]=4 497 B9R1.163 CC1(C(=O)O)CCOC1 CS-0051243 [1,1,0,0,0,0|2,0,0]=4 498 B9R1.163 C[C@@]1(C(=O)O)CCCN1 CS-M1365 [1,1,0,0,0,0|0,0,1]=3 499 B9R1.163 C[C@@]1(C(=O)O)CCCN1 CS-M1378 [1,1,0,0,0,0|0,0,1]=3 500 B9R1.163 C[C@@]1(C(=O)O)CCNC1 CS-0133807 [1,1,0,0,0,0|2,0,0]=4 501 B9R1.163 C[C@]1(C(=O)O)CCCN1 CS-M3406 [1,1,0,0,0,0|0,0,1]=3 502 B9R1.163 C[C@]1(C(=O)O)CCNC1 CS-0133594 [1,1,0,0,0,0|2,0,0]=4 503 B9R1.163 NC1(C(=O)O)CCCC1 CS-B0093 [1,1,0,0,0,0|1,0,1]=4 504 B9R1.163 NC1(C(=O)O)CCNC1 CS-M0821 [1,1,0,0,0,0|2,0,0]=4 505 B9R1.163 O=C(O)C1(F)CCCC1 CS-0054991 [1,1,0,0,0,0|1,0,1]=4 506 B9R1.163 O=C(O)C1(O)CCCC1 CS-W006221 [1,1,0,0,0,0|1,0,1]=4 507 B9R1.82 C=C1CC(C(=O)OC)C1 CS-0046881 [0,1,0,0,1,0|2,0,0]=4 508 B9R1.82 COC(=O)C1CC(=O)C1 CS-W007372 [0,1,0,0,1,0|1,0,0]=3 509 B9R1.152 CC1(C(=O)O)CC(=O)C1 CS-0052446 [0,1,0,0,1,0|1,0,0]=3 510 B11R1.21 CN1CC(C(=O)O)CCC1=O CS-0052432 [0,1,0,0,0,1|0,0,0]=2 511 B11R1.22 COC(=O)C1CCC(=O)CC1 CS-W005848 [0,1,0,0,0,1|1,0,0]=3 512 B11R1.22 COC(=O)C1CCC(=O)NC1 CS-0044684 [0,1,0,0,0,1|0,0,0]=2 513 B11R1.22 COC(=O)C1CCC(C)NC1 CS-W022880 [0,1,0,0,0,1|1,0,1]=4 514 B11R1.22 COC(=O)N1CCC(=O)CC1 CS-W004200 [0,1,0,0,0,1|2,0,0]=4 515 B11R1.22 COC(=O)[C@@H]1CC[C@H](C)NC1 CS-0057620 [0,1,0,0,0,1|1,0,1]=4 516 B11R1.22 COC(=O)[C@@H]1CC[C@H](C)NC1 CS-0058695 [0,1,0,0,0,1|1,0,1]=4 517 B11R1.220 CC1(C(=O)O)CCC(=O)CC1 CS-0043933 [0,1,0,0,0,1|1,0,0]=3 518 B11R1.727 O=C(O)C1CCS(=O)(=O)CC1 CS-W005642 [0,1,0,0,0,1|2,0,0]=4 519 B11R1.645 O=C(O)C[C@@H]1NC(=O)NC1=O CS-0344937 [0,1,0,0,0,1|1,0,1]=4 520 B11R1.23 COC(=O)C1=CC(=O)CCC1 CS-0139687 [0,1,0,0,0,1|1,0,1]=4 521 B11R1.23 COC(=O)C1CCCC(=O)C1 CS-0055069 [0,1,0,0,0,1|1,0,0]=3 522 B11R1.23 COC(=O)C1CCNC(=O)C1 CS-0043672 [0,1,0,0,0,1|1,0,0]=3 523 B11R1.23 COC(=O)C1CNNC(=O)C1 CS-0463986 [0,1,0,0,0,1|2,0,0]=4 524 B11R1.23 COC(=O)N1CCCC(=O)C1 CS-0654835 [0,1,0,0,0,1|2,0,0]=4 525 B11R1.23 COC(=O)[C@@H]1CNCC(=O)N1 CS-0182633 [0,1,0,0,0,1|0,0,0]=2 526 B11R1.74 O=C1C[C@@H](C(=O)O)NC(=O)N1 CS-W016211 [0,1,0,0,0,1|0,0,1]=3 527 B11R1.74 O=C1C[C@H](C(=O)O)NC(=O)N1 CS-0096922 [0,1,0,0,0,1|0,0,1]=3 528 B11R1.167 CC1=NC[C@H](O)[C@@H](C(=O)O)N1 CS-0027199 [0,1,0,0,0,1|1,0,0]=3 529 B11R1.15 CCOC(=O)C1CC(=O)CO1 CS-0638068 [0,2,0,0,0,0|2,0,0]=4 530 B11R1.15 CCOC(=O)C1CCC(=O)C1 CS-W001588 [0,2,0,0,0,0|1,0,0]=3 531 B11R1.15 CCOC(=O)C1CCC(=O)N1 CS-0148328 [0,2,0,0,0,0|0,0,0]=2 532 B11R1.15 CCOC(=O)C1CNC(=O)C1 CS-W016224 [0,2,0,0,0,0|2,0,0]=4 533 B11R1.15 CCOC(=O)[C@@H]1CCC(=O)N1 CS-W020688 [0,2,0,0,0,0|0,0,0]=2 534 B11R1.15 CCOC(=O)[C@H]1CCC(=O)N1 CS-W002063 [0,2,0,0,0,0|0,0,0]=2 535 B11R1.226 COC(=O)C1CC(=O)N(C)C1 CS-0036090 [0,2,0,0,0,0|2,0,0]=4 536 B11R1.865 COC(=O)C1CCC(=O)N1C CS-W001488 [0,2,0,0,0,0|0,0,0]=2 537 B11R1.865 COC(=O)[C@@H]1CCC(=O)N1C CS-0151231 [0,2,0,0,0,0|0,0,0]=2 538 B11R1.175 O=C(O)C1CCC(C(=O)O)C1 CS-W002823 [0,2,0,0,0,0|1,0,1]=4 539 B11R1.175 O=C(O)C1CCC(C(=O)O)O1 CS-0291792 [0,2,0,0,0,0|1,0,1]=4 540 B11R1.175 O=C(O)C1CSC(C(=O)O)N1 CS-0060752 [0,2,0,0,0,0|1,0,1]=4 541 B11R1.175 O=C(O)[C@H]1CC[C@@H](C(=O)O)C1 CS-0070727 [0,2,0,0,0,0|1,0,1]=4 542 B11R1.489 CC1(C)OC(=O)CC1C(=O)O CS-0119874 [0,2,0,0,0,0|2,0,0]=4 543 B9R1.6 O=C(O)C1CC=CCC1 CS-W011160 [0,0,1,1,0,0|2,0,0]=4 544 B9R1.6 O=C(O)C1CCCCN1 CS-B1313 [0,0,1,1,0,0|1,0,1]=4 545 B9R1.6 O=C(O)C1CCSCN1 CS-0236271 [0,0,1,1,0,0|2,0,0]=4 546 B9R1.6 O=C(O)[C@@H]1CC=CCC1 CS-W018428 [0,0,1,1,0,0|2,0,0]=4 547 B9R1.6 O=C(O)[C@@H]1CCCCN1 CS-0097749 [0,0,1,1,0,0|1,0,1]=4 548 B9R1.6 O=C(O)[C@H]1CC=CCC1 CS-0021761 [0,0,1,1,0,0|2,0,0]=4 549 B9R1.6 O=C(O)[C@H]1CCCCN1 CS-0143812 [0,0,1,1,0,0|1,0,1]=4 550 B9R1.6 O=C(O)[C@H]1CCCCN1 CS-D1144 [0,0,1,1,0,0|1,0,1]=4 551 B9R1.6 [C@@H]1(C(=O)O)CCCCN1 CS-W013450 [0,0,1,1,0,0|1,0,1]=4 552 B9R1.69 NC1CCC(=O)NC1=O CS-0020118 [0,0,1,1,0,0|1,0,0]=3 553 B9R1.69 NC1CCC(=O)NC1=O CS-M1823 [0,0,1,1,0,0|1,0,0]=3 554 B9R1.69 N[C@H]1CCC(=O)NC1=O CS-0129473 [0,0,1,1,0,0|1,0,0]=3 555 B9R1.69 O=C1CCC(Br)C(=O)N1 CS-0091177 [0,0,1,1,0,0|2,0,0]=4 556 B9R1.110 NC(C(=O)O)C1CCC1 CS-D0010 [0,0,1,1,0,0|1,0,1]=4 557 B9R1.110 N[C@@H](C(=O)O)C1CCC1 CS-0053495 [0,0,1,1,0,0|1,0,1]=4 558 B9R1.110 N[C@@H](C(=O)O)C1COC1 CS-0043570 [0,0,1,1,0,0|2,0,0]=4 559 B9R1.110 N[C@H](C(=O)O)C1CCC1 CS-W021160 [0,0,1,1,0,0|1,0,1]=4 560 B9R1.112 NC(CC1CC1)C(=O)O CS-0043558 [0,0,1,1,0,0|1,0,1]=4 561 B9R1.112 N[C@H](CC1CC1)C(=O)O CS-W013449 [0,0,1,1,0,0|1,0,1]=4 562 B9R1.112 [C@H](N)(CC1CC1)C(=O)O CS-W008028 [0,0,1,1,0,0|1,0,1]=4 563 B9R1.49 O=C1CCCC(O)CN1 CS-0187220 [0,0,1,1,0,0|1,0,1]=4 564 B9R1.161 O=C(O)[C@H]1C[C@H]1C(=O)O CS-0053628 [0,0,1,1,0,0|2,0,0]=4 565 B9R1.53 CC(=O)OC1CC(=O)N1 CS-W004456 [0,0,1,1,0,0|2,0,0]=4 566 B9R1.53 O=C(O)CC1CC(=O)C1 CS-0040780 [0,0,1,1,0,0|1,0,0]=3 567 B9R2.39 O=C1CC2C=CC1C2 CS-0480105 [1,0,0,1,0,0|2,0,0]=4 568 B9R2.39 O=C1NC2C=CC1C2 CS-W019811 [1,0,0,1,0,0|1,0,0]=3 569 B9R2.39 O=C1NC2CCC1C2 CS-B1546 [1,0,0,1,0,0|1,0,1]=4 570 B9R2.39 O=C1N[C@@H]2C=C[C@H]1C2 CS-W001398 [1,0,0,1,0,0|1,0,0]=3 571 B9R2.39 O=C1N[C@H]2C=C[C@@H]1C2 CS-W009267 [1,0,0,1,0,0|1,0,0]=3 572 B9R2.39 O=C1N[C@H]2CC[C@@H]1C2 CS-0131290 [1,0,0,1,0,0|1,0,1]=4 573 B11R2.66 O=C1CN2C(=O)CCC2N1 CS-0026742 [0,0,0,1,0,1|1,0,0]=3 574 B11R2.139 C12CC(=O)CC1CC(=O)C2 CS-0046040 [0,0,0,1,0,1|2,0,0]=4 575 B11R2.139 O=C1CC2CC(=O)CC2C1 CS-0035677 [0,0,0,1,0,1|2,0,0]=4 576 B7R0.16 CC(=O)C(C)C(C)=O CS-0095844 [0,0,1,0,1,0|1,0,0]=3 577 B7R0.16 CC(=O)C(N)C(C)=O CS-0216785 [0,0,1,0,1,0|2,0,0]=4 578 B7R0.16 CC(C(=O)O)C(=O)O CS-0027817 [0,0,1,0,1,0|1,0,0]=3 579 B7R0.16 CC(C)C(C)C(=O)O CS-0138076 [0,0,1,0,1,0|1,0,1]=4 580 B7R0.16 CC(O)C(C)C(=O)O CS-0116129 [0,0,1,0,1,0|0,0,2]=4 581 B7R0.16 C[C@@H](C(=O)O)N(C)C CS-0158278 [0,0,1,0,1,0|2,0,0]=4 582 B7R0.16 C[C@H](C(=O)O)N(C)C CS-0158218 [0,0,1,0,1,0|2,0,0]=4 583 B7R0.16 O=C(O)C(O)C(=O)O CS-W013581 [0,0,1,0,1,0|2,0,0]=4 584 B7R1.10 O=C1CC(CO)C1 CS-0045541 [1,0,0,0,1,0|1,0,1]=4 585 B7R1.18 NC(=O)C1CCC1 CS-D0904 [1,0,0,0,1,0|1,0,1]=4 586 B7R1.18 O=C(O)C1=CCC1 CS-0155456 [1,0,0,0,1,0|0,0,1]=3 587 B7R1.18 O=C(O)C1CCC1 CS-W011325 [1,0,0,0,1,0|0,0,1]=3 588 B7R1.18 O=C(O)C1CCN1 CS-M0178 [1,0,0,0,1,0|0,0,0]=2 589 B7R1.18 O=C(O)C1CCO1 CS-W006382 [1,0,0,0,1,0|1,0,0]=3 590 B7R1.18 O=C(O)C1CNC1 CS-0067915 [1,0,0,0,1,0|1,0,1]=4 591 B7R1.18 O=C(O)C1CNC1 CS-W019846 [1,0,0,0,1,0|1,0,1]=4 592 B7R1.18 O=C(O)[C@@H]1CCN1 CS-0031389 [1,0,0,0,1,0|0,0,0]=2 593 B7R1.18 O=C(O)[C@@H]1CCO1 CS-0148269 [1,0,0,0,1,0|1,0,0]=3 594 B7R1.18 O=C(O)[C@H]1CCN1 CS-W018478 [1,0,0,0,1,0|0,0,0]=2 595 B7R1.12 CC1CC1C(=O)O CS-0072900 [0,0,0,0,2,0|1,0,1]=4 596 B7R1.12 C[C@@H]1C[C@H]1C(=O)O CS-0047824 [0,0,0,0,2,0|1,0,1]=4 597 B7R1.12 C[C@H]1C[C@@H]1C(=O)O CS-0089165 [0,0,0,0,2,0|1,0,1]=4 598 B7R1.12 O=C(O)C1CC1F CS-W006378 [0,0,0,0,2,0|1,0,1]=4 599 B7R1.12 O=C(O)[C@@H]1C[C@@H]1F CS-0029963 [0,0,0,0,2,0|1,0,1]=4 600 B7R1.12 O=C(O)[C@@H]1C[C@@H]1I CS-M3337 [0,0,0,0,2,0|1,0,1]=4 601 B7R1.12 O=C(O)[C@@H]1C[C@H]1F CS-0058705 [0,0,0,0,2,0|1,0,1]=4 602 B7R1.12 O=C(O)[C@@H]1C[C@H]1F CS-W000621 [0,0,0,0,2,0|1,0,1]=4 603 B7R1.12 O=C(O)[C@H]1C[C@@H]1F CS-0053630 [0,0,0,0,2,0|1,0,1]=4 604 B7R1.12 O=C(O)[C@H]1C[C@H]1F CS-0031485 [0,0,0,0,2,0|1,0,1]=4 605 B7R1.12 O=C(O)[C@H]1C[C@H]1F CS-W020398 [0,0,0,0,2,0|1,0,1]=4 606 B9R0.4 CSCC[C@@H](N)CC(=O)O CS-0196593 [0,0,1,0,0,1|2,0,0]=4 607 B9R0.4 CSCC[C@H](N)CC(=O)O CS-0062044 [0,0,1,0,0,1|2,0,0]=4 608 B9R0.4 CSCC[C@H](N)CC(=O)O CS-0150087 [0,0,1,0,0,1|2,0,0]=4 609 B9R0.55 CC(=O)CCCCC(=O)O CS-W008210 [0,0,1,0,0,1|1,0,0]=3 610 B9R0.55 CC(=O)CCCOC(C)=O CS-0089169 [0,0,1,0,0,1|2,0,0]=4 611 B9R0.55 N=C(N)NCCCC(=O)O CS-0059514 [0,0,1,0,0,1|1,0,0]=3 612 B9R0.55 O=C(O)CCCCC(=O)O CS-W018238 [0,0,1,0,0,1|1,0,0]=3 613 B9R0.55 O=C(O)CSSCC(=O)O CS-0158473 [0,0,1,0,0,1|2,0,0]=4 614 B9R0.55 O=C(O)C\C=C\CC(=O)O CS-0099509 [0,0,1,0,0,1|1,0,1]=4 615 B9R1.2 O=C1CC(CO)CCN1 CS-0051145 [1,0,0,0,0,1|1,0,1]=4 616 B9R1.2 O=C1CCCC(CO)N1 CS-0099968 [1,0,0,0,0,1|0,0,1]=3 617 B9R1.2 O=C1COCC(CO)N1 CS-W022261 [1,0,0,0,0,1|0,0,1]=3 618 B9R1.2 O=C1COC[C@H](CO)N1 CS-0146689 [1,0,0,0,0,1|0,0,1]=3 619 B9R1.13 O=C(O)CC1C=CCC1 CS-0147114 [1,0,0,0,0,1|1,0,0]=3 620 B9R1.13 O=C(O)CC1CCCC1 CS-W007405 [1,0,0,0,0,1|1,0,1]=4 621 B9R1.13 O=C(O)CC1CCCN1 CS-W017883 [1,0,0,0,0,1|0,0,1]=3 622 B9R1.13 O=C(O)CC1CCCO1 CS-0076866 [1,0,0,0,0,1|1,0,1]=4 623 B9R1.13 O=C(O)CC1CCNC1 CS-0052205 [1,0,0,0,0,1|2,0,0]=4 624 B9R1.13 O=C(O)CC1CCOC1 CS-W005250 [1,0,0,0,0,1|2,0,0]=4 625 B9R1.13 O=C(O)C[C@@H]1CCCN1 CS-0035426 [1,0,0,0,0,1|0,0,1]=3 626 B9R1.13 O=C(O)C[C@@H]1CCNC1 CS-0052117 [1,0,0,0,0,1|2,0,0]=4 627 B9R1.13 O=C(O)C[C@@H]1CCOC1 CS-0155206 [1,0,0,0,0,1|2,0,0]=4 628 B9R1.13 O=C(O)C[C@H]1CCCN1 CS-0031343 [1,0,0,0,0,1|0,0,1]=3 629 B9R1.13 O=C(O)C[C@H]1CCCN1 CS-0035825 [1,0,0,0,0,1|0,0,1]=3 630 B9R1.13 [C@@H]1(CC(=O)O)CCCN1 CS-W010817 [1,0,0,0,0,1|0,0,1]=3 631 B11R1.20 CC(=O)NC1CCC(=O)CC1 CS-M1862 [0,0,0,0,0,2|2,0,0]=4 632 B11R1.157 O=C(O)CC1CCCC(=O)C1 CS-0252237 [0,0,0,0,0,2|1,0,0]=3 633 B11R1.157 O=C(O)CN1CCOC(=O)C1 CS-0313597 [0,0,0,0,0,2|2,0,0]=4