0 B8R0.9 C=CC(=O)NCC(=O)O CS-0239984 [0,0,0,0,0,0|2,0,1]=3 1 B8R0.9 C=CC(=O)NCC(N)=O CS-0109691 [0,0,0,0,0,0|3,0,1]=4 2 B8R0.9 COC(=O)CCC(=O)O CS-W011096 [0,0,0,0,0,0|2,0,2]=4 3 B8R0.9 NCC(=O)CCC(=O)O CS-2575 [0,0,0,0,0,0|2,0,2]=4 4 B8R0.9 O=C(O)CCC(=O)CBr CS-0185092 [0,0,0,0,0,0|2,0,2]=4 5 B7R0.4 C#CCCCC(=O)O CS-W009272 [1,0,0,0,0,0|0,0,2]=3 6 B7R0.4 C#CCOCC(=O)O CS-0070099 [1,0,0,0,0,0|1,0,2]=4 7 B7R0.4 C=CCCCB(O)O CS-0158004 [1,0,0,0,0,0|1,0,1]=3 8 B7R0.4 C=CCCCC(=O)O CS-0113496 [1,0,0,0,0,0|0,0,0]=1 9 B7R0.4 CC(=O)CCCCCl CS-W013363 [1,0,0,0,0,0|2,0,1]=4 10 B7R0.4 CCCNCC(=O)O CS-0250530 [1,0,0,0,0,0|1,0,2]=4 11 B7R0.4 CCCOCC(=O)O CS-0152048 [1,0,0,0,0,0|1,0,2]=4 12 B7R0.4 CCCSCC(=O)O CS-0651549 [1,0,0,0,0,0|1,0,2]=4 13 B7R0.4 CNCCCC(=O)O CS-0096860 [1,0,0,0,0,0|1,0,1]=3 14 B7R0.4 CNCCCC(=O)O CS-0133777 [1,0,0,0,0,0|1,0,1]=3 15 B7R0.4 COCCCC(=O)O CS-W001021 [1,0,0,0,0,0|1,0,1]=3 16 B7R0.4 C\C=C\CCC(=O)O CS-0232064 [1,0,0,0,0,0|0,0,2]=3 17 B7R0.4 N#CCCCC(=O)O CS-W018817 [1,0,0,0,0,0|1,0,1]=3 18 B7R0.4 NCCCCC(=O)O CS-0181832 [1,0,0,0,0,0|1,0,1]=3 19 B7R0.4 NCCCCC(=O)O CS-W016594 [1,0,0,0,0,0|1,0,1]=3 20 B7R0.4 NCCNCC(=O)O CS-W013599 [1,0,0,0,0,0|2,0,1]=4 21 B7R0.4 NCCOCC(=O)O CS-0115741 [1,0,0,0,0,0|2,0,1]=4 22 B7R0.4 NCCOCC(=O)O CS-0115743 [1,0,0,0,0,0|2,0,1]=4 23 B7R0.4 NCCOCC(=O)O CS-0127947 [1,0,0,0,0,0|2,0,1]=4 24 B7R0.4 O=C(O)CCCCBr CS-W017172 [1,0,0,0,0,0|1,0,1]=3 25 B7R0.4 O=C(O)CCCCCl CS-W022362 [1,0,0,0,0,0|1,0,1]=3 26 B7R0.4 O=C(O)CNCCO CS-0158315 [1,0,0,0,0,0|2,0,1]=4 27 B7R0.4 O=C(O)COCCBr CS-0105329 [1,0,0,0,0,0|2,0,1]=4 28 B7R0.4 O=C(O)COCCCl CS-W006556 [1,0,0,0,0,0|2,0,1]=4 29 B7R0.4 O=C(O)COCCS CS-0115755 [1,0,0,0,0,0|2,0,1]=4 30 B7R0.4 O=C(O)COCCS CS-0115757 [1,0,0,0,0,0|2,0,1]=4 31 B7R0.6 C=C(C)CCC(=O)O CS-0040142 [1,0,0,0,0,0|1,0,1]=3 32 B7R0.6 C=C(C)CCC(C)=O CS-0225159 [1,0,0,0,0,0|2,0,1]=4 33 B7R0.6 CC(=O)CCC(=O)O CS-0015813 [1,0,0,0,0,0|1,0,2]=4 34 B7R0.6 CC(C)CCC(=O)O CS-W016598 [1,0,0,0,0,0|1,0,1]=3 35 B7R0.6 CC(C)OCC(=O)O CS-0005425 [1,0,0,0,0,0|2,0,1]=4 36 B7R0.6 CC(N)CCC(=O)O CS-0276521 [1,0,0,0,0,0|0,0,1]=2 37 B7R0.6 CN(C)CCC(=O)O CS-W007826 [1,0,0,0,0,0|2,0,1]=4 38 B7R0.6 C[C@H](N)CCC(=O)O CS-0529054 [1,0,0,0,0,0|0,0,1]=2 39 B7R0.6 C[S+](C)CCC(=O)O CS-0158148 [1,0,0,0,0,0|2,0,1]=4 40 B7R0.6 N=C(N)NCC(=O)O CS-0040590 [1,0,0,0,0,0|2,0,1]=4 41 B7R0.6 NC(=O)CCC(N)=O CS-0204735 [1,0,0,0,0,0|2,0,1]=4 42 B7R0.6 NC(=O)NCC(=O)O CS-0204817 [1,0,0,0,0,0|2,0,1]=4 43 B7R0.6 O=C(O)CCC(=O)O CS-0008946 [1,0,0,0,0,0|2,0,1]=4 44 B7R0.6 O=C(O)CCC(=O)O CS-0966740 [1,0,0,0,0,0|2,0,1]=4 45 B7R0.6 O=C(O)CCC(F)F CS-0375270 [1,0,0,0,0,0|2,0,0]=3 46 B7R0.6 O=C(O)COC(F)F CS-0102315 [1,0,0,0,0,0|3,0,0]=4 47 B9R0.7 C=C(C)C(=O)NCC(=O)O CS-0158074 [0,1,0,0,0,0|2,0,1]=4 48 B9R0.7 CC(=O)OC[C@H](N)C(=O)O CS-0102562 [0,1,0,0,0,0|3,0,0]=4 49 B9R0.7 CC(=O)OC[C@H](N)C(=O)O CS-6301 [0,1,0,0,0,0|3,0,0]=4 50 B9R0.7 CC(CCC(=O)O)C(=O)O CS-W018240 [0,1,0,0,0,0|2,0,0]=3 51 B9R0.7 CS(=O)CCC(N)C(=O)O CS-0059319 [0,1,0,0,0,0|3,0,0]=4 52 B9R0.7 C[C@H](NCC(=O)O)C(=O)O CS-0158276 [0,1,0,0,0,0|3,0,0]=4 53 B9R0.7 NC(=O)CCC(N)C(=O)O CS-4898 [0,1,0,0,0,0|2,0,0]=3 54 B9R0.7 NC(=O)CC[C@@H](N)C(=O)O CS-6029 [0,1,0,0,0,0|2,0,0]=3 55 B9R0.7 NC(=O)CC[C@H](N)C(=O)O CS-1947 [0,1,0,0,0,0|2,0,0]=3 56 B9R0.7 NC(=O)NC[C@H](N)C(=O)O CS-0079579 [0,1,0,0,0,0|3,0,0]=4 57 B9R0.7 NC(=O)[C@@H](N)CCC(=O)O CS-W018237 [0,1,0,0,0,0|1,0,0]=2 58 B9R0.7 NC(CCC(=O)O)C(=O)O CS-W010824 [0,1,0,0,0,0|1,0,0]=2 59 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O CS-0003473 [0,1,0,0,0,0|1,0,0]=2 60 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O CS-0043360 [0,1,0,0,0,0|1,0,0]=2 61 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O CS-0539410 [0,1,0,0,0,0|1,0,0]=2 62 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O CS-W017035 [0,1,0,0,0,0|1,0,0]=2 63 B9R0.7 N[C@H](CCC(=O)O)C(=O)O CS-6255 [0,1,0,0,0,0|1,0,0]=2 64 B9R0.7 O=C(O)CCC(=O)C(=O)O CS-W014352 [0,1,0,0,0,0|2,0,1]=4 65 B9R0.7 O=C(O)CCC(F)=C(F)F CS-0205879 [0,1,0,0,0,0|2,0,1]=4 66 B9R0.7 [C@H](N)(CCS(C)=O)C(=O)O CS-W010820 [0,1,0,0,0,0|3,0,0]=4 67 B9R0.23 CC[C@H](C)[C@H](N)CC(=O)O CS-W017140 [0,1,0,0,0,0|1,0,2]=4 68 B9R1.35 NC1CCC(C(=O)O)C1 CS-0051536 [0,0,0,1,0,0|0,0,2]=3 69 B9R1.35 NC1CCC(C(=O)O)C1 CS-0119364 [0,0,0,1,0,0|0,0,2]=3 70 B9R1.35 N[C@@H]1C=C[C@H](C(=O)O)C1 CS-0101206 [0,0,0,1,0,0|0,0,0]=1 71 B9R1.35 N[C@@H]1CC[C@@H](C(=O)O)C1 CS-0047789 [0,0,0,1,0,0|0,0,2]=3 72 B9R1.35 N[C@@H]1CC[C@@H](C(=O)O)C1 CS-0058718 [0,0,0,1,0,0|0,0,2]=3 73 B9R1.35 N[C@@H]1CN[C@H](C(=O)O)C1 CS-0001906 [0,0,0,1,0,0|1,0,1]=3 74 B9R1.35 N[C@H]1C=C[C@@H](C(=O)O)C1 CS-0157300 [0,0,0,1,0,0|0,0,0]=1 75 B9R1.35 N[C@H]1CC[C@@H](C(=O)O)C1 CS-0035738 [0,0,0,1,0,0|0,0,2]=3 76 B9R1.35 N[C@H]1CC[C@@H](C(=O)O)C1 CS-0053615 [0,0,0,1,0,0|0,0,2]=3 77 B9R1.35 N[C@H]1CC[C@@H](C(=O)O)C1 CS-0166792 [0,0,0,1,0,0|0,0,2]=3 78 B9R1.35 N[C@H]1CC[C@H](C(=O)O)C1 CS-0162383 [0,0,0,1,0,0|0,0,2]=3 79 B9R1.35 N[C@H]1CN[C@@H](C(=O)O)C1 CS-0438145 [0,0,0,1,0,0|1,0,1]=3 80 B9R1.35 N[C@H]1CN[C@H](C(=O)O)C1 CS-0028271 [0,0,0,1,0,0|1,0,1]=3 81 B9R1.35 O=C(O)C1CCC(Br)C1 CS-0380404 [0,0,0,1,0,0|1,0,2]=4 82 B9R1.35 O=C(O)C1CCC(O)C1 CS-0112577 [0,0,0,1,0,0|1,0,2]=4 83 B9R1.35 O=C(O)[C@@H]1C[C@@H](F)CN1 CS-0037623 [0,0,0,1,0,0|2,0,1]=4 84 B9R1.35 O=C(O)[C@@H]1C[C@@H](F)CN1 CS-0058696 [0,0,0,1,0,0|2,0,1]=4 85 B9R1.35 O=C(O)[C@@H]1C[C@@H](O)CN1 CS-0101213 [0,0,0,1,0,0|2,0,1]=4 86 B9R1.35 O=C(O)[C@@H]1C[C@@H](O)CN1 CS-W008928 [0,0,0,1,0,0|2,0,1]=4 87 B9R1.35 O=C(O)[C@@H]1C[C@H](F)CN1 CS-0053410 [0,0,0,1,0,0|2,0,1]=4 88 B9R1.35 O=C(O)[C@@H]1C[C@H](F)CN1 CS-0058726 [0,0,0,1,0,0|2,0,1]=4 89 B9R1.35 O=C(O)[C@@H]1C[C@H](O)CN1 CS-0028245 [0,0,0,1,0,0|2,0,1]=4 90 B9R1.35 O=C(O)[C@@H]1C[C@H](O)CN1 CS-W009077 [0,0,0,1,0,0|2,0,1]=4 91 B9R1.35 O=C(O)[C@H]1C[C@@H](F)CN1 CS-0053465 [0,0,0,1,0,0|2,0,1]=4 92 B9R1.35 O=C(O)[C@H]1C[C@@H](O)CN1 CS-M0679 [0,0,0,1,0,0|2,0,1]=4 93 B9R1.35 O=C(O)[C@H]1C[C@H](F)CN1 CS-0001913 [0,0,0,1,0,0|2,0,1]=4 94 B9R1.35 O=C(O)[C@H]1C[C@H](O)CN1 CS-0020162 [0,0,0,1,0,0|2,0,1]=4 95 B9R1.35 O=C(O)[C@H]1C[C@H](O)CN1 CS-W003511 [0,0,0,1,0,0|2,0,1]=4 96 B9R1.35 [C@H]1(O)CN[C@@H](C(=O)O)C1 CS-W008129 [0,0,0,1,0,0|2,0,1]=4 97 B9R1.69 NC1CCC(=O)NC1=O CS-0020118 [0,0,0,1,0,0|2,0,0]=3 98 B9R1.69 NC1CCC(=O)NC1=O CS-M1823 [0,0,0,1,0,0|2,0,0]=3 99 B9R1.69 N[C@H]1CCC(=O)NC1=O CS-0129473 [0,0,0,1,0,0|2,0,0]=3 100 B9R1.69 O=C1CCC(Br)C(=O)N1 CS-0091177 [0,0,0,1,0,0|3,0,0]=4 101 B9R1.84 O=C(O)CCC1CCC1 CS-0060765 [0,0,0,1,0,0|1,0,2]=4 102 B9R1.147 CC1(CCC(=O)O)CC1 CS-0240053 [0,0,0,1,0,0|1,0,2]=4 103 B9R1.147 CC1(CCC(=O)O)N=N1 CS-0061126 [0,0,0,1,0,0|3,0,0]=4 104 B7R0.2 C=CC(C)OC(C)=O CS-0139597 [0,0,0,0,1,0|3,0,0]=4 105 B7R0.2 CCC(C)CC(=O)O CS-W011229 [0,0,0,0,1,0|1,0,2]=4 106 B7R0.2 CCC(N)CC(=O)O CS-W021843 [0,0,0,0,1,0|0,0,2]=3 107 B7R0.2 CC[C@H](C)CC(=O)O CS-W002937 [0,0,0,0,1,0|1,0,2]=4 108 B7R0.2 N[C@@H](CO)CC(=O)O CS-W006063 [0,0,0,0,1,0|1,0,1]=3 109 B7R0.2 N[C@H](CO)CC(=O)O CS-W021172 [0,0,0,0,1,0|1,0,1]=3 110 B7R0.2 [C@H](O)(CN)CC(=O)O CS-W005749 [0,0,0,0,1,0|2,0,1]=4 111 B9R0.1 C=CC(C)CCC=C(C)C CS-0699619 [0,0,0,0,0,1|3,0,0]=4 112 B6R0.4 C#CCCC(=O)O CS-W008784 [2,0,0,0,0,0|0,0,2]=4 113 B6R0.4 C=CCCC(=O)O CS-W009138 [2,0,0,0,0,0|0,0,0]=2 114 B6R0.4 C=CCCC(C)O CS-0513969 [2,0,0,0,0,0|1,0,1]=4 115 B6R0.4 C=CCNC(N)=O CS-0197283 [2,0,0,0,0,0|2,0,0]=4 116 B6R0.4 CC(=O)CCCCl CS-W013569 [2,0,0,0,0,0|2,0,0]=4 117 B6R0.4 CC(=O)CCCO CS-0020001 [2,0,0,0,0,0|2,0,0]=4 118 B6R0.4 CC(=O)OCCN CS-0657679 [2,0,0,0,0,0|2,0,0]=4 119 B6R0.4 CCNCC(=O)O CS-0201673 [2,0,0,0,0,0|1,0,1]=4 120 B6R0.4 CCOCC(=O)O CS-0071579 [2,0,0,0,0,0|1,0,1]=4 121 B6R0.4 CCSCC(=O)O CS-0197336 [2,0,0,0,0,0|1,0,1]=4 122 B6R0.4 CNCCC(=O)O CS-0112815 [2,0,0,0,0,0|1,0,1]=4 123 B6R0.4 CNCCC(=O)O CS-0169148 [2,0,0,0,0,0|1,0,1]=4 124 B6R0.4 COCCC(=O)O CS-W009112 [2,0,0,0,0,0|1,0,1]=4 125 B6R0.4 CS(=O)CCCN CS-0286765 [2,0,0,0,0,0|2,0,0]=4 126 B6R0.4 CSCCC(=O)O CS-6296 [2,0,0,0,0,0|1,0,1]=4 127 B6R0.4 C[C@@H](N)CCCO CS-0634445 [2,0,0,0,0,0|0,0,2]=4 128 B6R0.4 C[C@H](N)CCCO CS-0652529 [2,0,0,0,0,0|0,0,2]=4 129 B6R0.4 C\C=C\CC(=O)O CS-0129103 [2,0,0,0,0,0|0,0,2]=4 130 B6R0.4 N#CCCC(=O)O CS-W018565 [2,0,0,0,0,0|0,0,2]=4 131 B6R0.4 NCCCC(=O)O CS-W020704 [2,0,0,0,0,0|0,0,0]=2 132 B6R0.4 NCCCC(N)=O CS-0103894 [2,0,0,0,0,0|1,0,0]=3 133 B6R0.4 NCCNC(N)=O CS-0139236 [2,0,0,0,0,0|2,0,0]=4 134 B6R0.4 O=C(O)CCCBr CS-W016047 [2,0,0,0,0,0|1,0,0]=3 135 B6R0.4 O=C(O)CCCCl CS-W013545 [2,0,0,0,0,0|1,0,0]=3 136 B6R0.4 O=CNCC(=O)O CS-0102520 [2,0,0,0,0,0|2,0,0]=4 137 B6R0.6 C=CCCCCBr CS-W008939 [2,0,0,0,0,0|1,0,1]=4 138 B6R0.6 C=CCCCCN CS-0210385 [2,0,0,0,0,0|1,0,1]=4 139 B6R0.6 C=CCCCCO CS-W013711 [2,0,0,0,0,0|0,0,1]=3 140 B6R0.6 C=CCOCCO CS-0157967 [2,0,0,0,0,0|1,0,1]=4 141 B8R0.8 C=CCC[C@@H](N)C(=O)O CS-0100555 [1,1,0,0,0,0|2,0,0]=4 142 B8R0.8 C=CCC[C@H](N)C(=O)O CS-0100618 [1,1,0,0,0,0|2,0,0]=4 143 B8R0.5 CCC[C@H](N)CC(=O)O CS-0152590 [1,1,0,0,0,0|0,0,2]=4 144 B8R0.5 CCC[C@H](N)CC(=O)O CS-0678068 [1,1,0,0,0,0|0,0,2]=4 145 B8R0.7 C#CCCCCC(=O)O CS-0020150 [1,1,0,0,0,0|0,0,2]=4 146 B8R0.7 C#CCCOCC(=O)O CS-0614377 [1,1,0,0,0,0|0,0,2]=4 147 B8R0.7 C#CCOCCC(=O)O CS-0108409 [1,1,0,0,0,0|0,0,2]=4 148 B8R0.7 C=CCCCCB(O)O CS-0130748 [1,1,0,0,0,0|1,0,1]=4 149 B8R0.7 C=CCCCCC(=O)O CS-0097711 [1,1,0,0,0,0|0,0,0]=2 150 B8R0.7 CCCCOCC(=O)O CS-0152080 [1,1,0,0,0,0|0,0,2]=4 151 B8R0.7 COCCOCC(=O)O CS-0084611 [1,1,0,0,0,0|1,0,1]=4 152 B8R0.7 COCCOCC(=O)O CS-0527879 [1,1,0,0,0,0|1,0,1]=4 153 B8R0.7 COCCOCC(=O)O CS-0527882 [1,1,0,0,0,0|1,0,1]=4 154 B8R0.7 NCCCCCC(=O)O CS-2204 [1,1,0,0,0,0|0,0,2]=4 155 B8R0.7 O=C(O)CCCCCBr CS-W007559 [1,1,0,0,0,0|0,0,2]=4 156 B8R0.7 O=C(O)CCCCCCl CS-W018132 [1,1,0,0,0,0|0,0,2]=4 157 B8R0.7 O=C(O)CCCCCO CS-0158392 [1,1,0,0,0,0|0,0,2]=4 158 B8R0.7 O=C(O)CCCCC[O-] CS-0160664 [1,1,0,0,0,0|0,0,2]=4 159 B8R0.7 O=C(O)CCOCCBr CS-0107735 [1,1,0,0,0,0|1,0,1]=4 160 B8R0.7 O=C(O)CCOCCO CS-0066172 [1,1,0,0,0,0|1,0,1]=4 161 B8R0.7 O=C(O)CCOCCO CS-0528773 [1,1,0,0,0,0|1,0,1]=4 162 B8R0.28 CC(=O)CCCC(=O)O CS-W001957 [1,1,0,0,0,0|0,0,1]=3 163 B8R0.28 CC(=O)NCCC(=O)O CS-0005652 [1,1,0,0,0,0|1,0,1]=4 164 B8R0.28 CC(=O)SCCC(=O)O CS-W018187 [1,1,0,0,0,0|1,0,1]=4 165 B8R0.28 CN(C)CCCC(=O)O CS-0117583 [1,1,0,0,0,0|1,0,1]=4 166 B8R0.28 CN(C)CCCC(=O)O CS-W007989 [1,1,0,0,0,0|1,0,1]=4 167 B8R0.28 N=C(N)NCCC(=O)O CS-W016544 [1,1,0,0,0,0|2,0,0]=4 168 B8R0.28 N=C(N)SCCC(=O)O CS-W018186 [1,1,0,0,0,0|2,0,0]=4 169 B8R0.28 NC(=O)CCCC(N)=O CS-0012581 [1,1,0,0,0,0|2,0,0]=4 170 B8R0.28 NC(=O)COCC(=O)O CS-0318293 [1,1,0,0,0,0|2,0,0]=4 171 B8R0.28 NC(=O)NCCC(=O)O CS-0059512 [1,1,0,0,0,0|2,0,0]=4 172 B8R0.28 O=C(O)CCCC(=O)O CS-W009536 [1,1,0,0,0,0|1,0,0]=3 173 B8R0.28 O=C(O)CCC[N+](=O)[O-] CS-0198123 [1,1,0,0,0,0|2,0,0]=4 174 B8R0.28 O=C(O)CNCC(=O)O CS-W013399 [1,1,0,0,0,0|2,0,0]=4 175 B8R0.28 O=C(O)COCC(=O)O CS-0158474 [1,1,0,0,0,0|2,0,0]=4 176 B8R0.28 O=C(O)CSCC(=O)O CS-W013299 [1,1,0,0,0,0|2,0,0]=4 177 B8R0.23 CC(C)C(N)CC(=O)O CS-W013424 [1,1,0,0,0,0|1,0,1]=4 178 B8R0.23 CC(C)CC(Br)C(=O)O CS-W021616 [1,1,0,0,0,0|1,0,1]=4 179 B8R0.23 CC(C)CC(N)C(=O)O CS-W020700 [1,1,0,0,0,0|1,0,1]=4 180 B8R0.23 CC(C)C[C@@H](N)C(=O)O CS-D1369 [1,1,0,0,0,0|1,0,1]=4 181 B8R0.23 CC(C)C[C@@H](O)C(=O)O CS-0000170 [1,1,0,0,0,0|1,0,1]=4 182 B8R0.23 CC(C)C[C@H](N)C(=O)O CS-W020705 [1,1,0,0,0,0|1,0,1]=4 183 B8R0.23 CC(C)C[C@H](O)C(=O)O CS-0000169 [1,1,0,0,0,0|1,0,1]=4 184 B8R0.23 CC(C)[C@@H](N)CC(=O)O CS-0038681 [1,1,0,0,0,0|1,0,1]=4 185 B8R0.23 CC(C)[C@H](N)CC(=O)O CS-0039103 [1,1,0,0,0,0|1,0,1]=4 186 B8R0.23 C[C@@H](O)[C@H](N)CC(=O)O CS-0201887 [1,1,0,0,0,0|1,0,1]=4 187 B8R0.23 NC(=O)CC(N)C(=O)O CS-0188414 [1,1,0,0,0,0|1,0,1]=4 188 B8R0.23 NC(=O)CC(N)C(=O)O CS-W018158 [1,1,0,0,0,0|1,0,1]=4 189 B8R0.23 NC(=O)C[C@@H](N)C(=O)O CS-W011094 [1,1,0,0,0,0|1,0,1]=4 190 B8R0.23 NC(=O)C[C@@H](N)C(=O)O CS-W018160 [1,1,0,0,0,0|1,0,1]=4 191 B8R0.23 NC(=O)C[C@H](N)C(=O)O CS-0009702 [1,1,0,0,0,0|1,0,1]=4 192 B8R0.23 NC(=O)[C@H](N)CC(=O)O CS-0449242 [1,1,0,0,0,0|1,0,1]=4 193 B8R0.23 N[C@@H](CC(F)F)C(=O)O CS-0134027 [1,1,0,0,0,0|2,0,0]=4 194 B8R0.23 [C@H](N)(CC(=O)O)C(C)C CS-W005787 [1,1,0,0,0,0|1,0,1]=4 195 B8R0.29 CC(C)(N)CCC(=O)O CS-0273048 [1,1,0,0,0,0|0,0,1]=3 196 B8R0.29 CC(F)(F)CCC(=O)O CS-0248177 [1,1,0,0,0,0|1,0,1]=4 197 B8R0.29 O=C(O)CCC(F)(F)F CS-W007460 [1,1,0,0,0,0|2,0,0]=4 198 B10R0.98 CC(=O)OCC[C@H](N)C(=O)O CS-0640828 [0,1,0,0,0,1|2,0,0]=4 199 B10R0.98 NC(CCCC(=O)O)C(=O)O CS-0059618 [0,1,0,0,0,1|1,0,0]=3 200 B10R0.98 NC(CCCC(=O)O)C(=O)O CS-0415985 [0,1,0,0,0,1|1,0,0]=3 201 B10R0.98 N[C@@H](CSCC(=O)O)C(=O)O CS-0017457 [0,1,0,0,0,1|1,0,0]=3 202 B10R0.98 N[C@H](CCCC(=O)O)C(=O)O CS-W016142 [0,1,0,0,0,1|1,0,0]=3 203 B10R0.98 [C@H](N)(CCCC(=O)O)C(=O)O CS-W014381 [0,1,0,0,0,1|1,0,0]=3 204 B10R0.43 CC(C)(CCC(=O)O)C(=O)O CS-W017939 [0,2,0,0,0,0|2,0,0]=4 205 B10R0.84 CNC(CCC(=O)O)C(=O)O CS-W016140 [0,2,0,0,0,0|1,0,0]=3 206 B10R0.84 CN[C@@H](CCC(=O)O)C(=O)O CS-0208028 [0,2,0,0,0,0|1,0,0]=3 207 B10R0.92 NC(CCS(=O)(=O)O)C(=O)O CS-W017058 [0,2,0,0,0,0|2,0,0]=4 208 B10R0.93 CC(CC(C)C(=O)O)C(=O)O CS-0308018 [0,2,0,0,0,0|2,0,0]=4 209 B10R0.78 C=CCOC(=O)CCC(=O)O CS-0896020 [0,2,0,0,0,0|1,0,1]=4 210 B10R0.96 CC(CCC(=O)O)CC(=O)O CS-0059490 [0,2,0,0,0,0|1,0,1]=4 211 B10R0.96 NC(CCC(=O)O)CC(=O)O CS-0169325 [0,2,0,0,0,0|0,0,1]=3 212 B10R0.96 N[C@@H](CCC(=O)O)CC(=O)O CS-0373285 [0,2,0,0,0,0|0,0,1]=3 213 B8R1.1 C=CC1COC(=O)C1 CS-B0698 [1,0,0,1,0,0|2,0,0]=4 214 B8R1.1 C=CC1COC(=O)O1 CS-W011250 [1,0,0,1,0,0|2,0,0]=4 215 B8R1.1 C=C[C@H]1COC(=O)C1 CS-0001483 [1,0,0,1,0,0|2,0,0]=4 216 B8R1.1 CCC1CCC(=O)N1 CS-0046651 [1,0,0,1,0,0|0,0,2]=4 217 B8R1.1 NCC1CCC(=O)N1 CS-0029734 [1,0,0,1,0,0|1,0,1]=4 218 B8R1.1 NCC1CCC(=O)N1 CS-0075962 [1,0,0,1,0,0|1,0,1]=4 219 B8R1.1 NC[C@@H]1CCC(=O)N1 CS-0144990 [1,0,0,1,0,0|1,0,1]=4 220 B8R1.1 NC[C@H]1CCC(=O)N1 CS-0105178 [1,0,0,1,0,0|1,0,1]=4 221 B8R1.1 N[C@H]1C=C[C@@H](CO)C1 CS-0162437 [1,0,0,1,0,0|0,0,1]=3 222 B8R1.1 O=C1CCC(CO)N1 CS-W001608 [1,0,0,1,0,0|1,0,1]=4 223 B8R1.1 O=C1CC[C@@H](CBr)N1 CS-B0460 [1,0,0,1,0,0|1,0,1]=4 224 B8R1.1 O=C1CC[C@@H](CO)N1 CS-B0366 [1,0,0,1,0,0|1,0,1]=4 225 B8R1.1 O=C1CC[C@H](CO)N1 CS-W001840 [1,0,0,1,0,0|1,0,1]=4 226 B8R1.3 NC1CCC(=O)CC1 CS-W005034 [1,0,0,1,0,0|0,0,2]=4 227 B8R1.3 NC1CCC(=O)NC1 CS-0050676 [1,0,0,1,0,0|1,0,1]=4 228 B8R1.3 N[C@H]1CCC(=O)NC1 CS-0185259 [1,0,0,1,0,0|1,0,1]=4 229 B8R1.3 O=C1C=CC(O)OC1 CS-0063151 [1,0,0,1,0,0|2,0,0]=4 230 B8R1.50 CC1CCC(=O)C1=O CS-W011271 [1,0,0,1,0,0|2,0,0]=4 231 B8R1.50 NC1CCN(O)C1=O CS-0200048 [1,0,0,1,0,0|2,0,0]=4 232 B8R1.4 CC1=CC(=O)CCC1 CS-0128362 [1,0,0,1,0,0|1,0,1]=4 233 B8R1.4 CC1CCCC(=O)O1 CS-0015920 [1,0,0,1,0,0|0,0,2]=4 234 B8R1.4 NC1=CC(=O)CCC1 CS-0032855 [1,0,0,1,0,0|2,0,0]=4 235 B8R1.4 O=C1C=C(Cl)CCC1 CS-0180958 [1,0,0,1,0,0|2,0,0]=4 236 B8R1.4 O=C1CCCC(=O)C1 CS-W007466 [1,0,0,1,0,0|2,0,0]=4 237 B8R1.4 O=C1CCCC(=O)N1 CS-W023103 [1,0,0,1,0,0|2,0,0]=4 238 B8R1.4 O=C1COCC(=O)O1 CS-0108764 [1,0,0,1,0,0|2,0,0]=4 239 B8R1.7 O=C(O)C1=CCCC1 CS-W005540 [1,0,0,1,0,0|0,0,2]=4 240 B8R1.7 O=C(O)C1=COCC1 CS-0067218 [1,0,0,1,0,0|1,0,1]=4 241 B8R1.7 O=C(O)C1CC=CC1 CS-W002373 [1,0,0,1,0,0|0,0,2]=4 242 B8R1.7 O=C(O)C1CCCC1 CS-W007448 [1,0,0,1,0,0|0,0,2]=4 243 B8R1.7 O=C(O)C1CCCN1 CS-W013624 [1,0,0,1,0,0|1,0,1]=4 244 B8R1.7 O=C(O)C1CCCO1 CS-W018496 [1,0,0,1,0,0|1,0,1]=4 245 B8R1.7 O=C(O)C1CCCS1 CS-W000375 [1,0,0,1,0,0|1,0,1]=4 246 B8R1.7 O=C(O)C1CCNC1 CS-0040176 [1,0,0,1,0,0|1,0,1]=4 247 B8R1.7 O=C(O)C1CCNC1 CS-W019683 [1,0,0,1,0,0|1,0,1]=4 248 B8R1.7 O=C(O)C1CCOC1 CS-W004096 [1,0,0,1,0,0|1,0,1]=4 249 B8R1.7 O=C(O)[C@@H]1C=CCN1 CS-0171023 [1,0,0,1,0,0|1,0,0]=3 250 B8R1.7 O=C(O)[C@@H]1C=CCN1 CS-W016613 [1,0,0,1,0,0|1,0,0]=3 251 B8R1.7 O=C(O)[C@@H]1CCCN1 CS-W019861 [1,0,0,1,0,0|1,0,1]=4 252 B8R1.7 O=C(O)[C@@H]1CCCN1 CS-WAA0253 [1,0,0,1,0,0|1,0,1]=4 253 B8R1.7 O=C(O)[C@@H]1CCCO1 CS-W004117 [1,0,0,1,0,0|1,0,1]=4 254 B8R1.7 O=C(O)[C@@H]1CCNC1 CS-0053309 [1,0,0,1,0,0|1,0,1]=4 255 B8R1.7 O=C(O)[C@@H]1CCNC1 CS-D1771 [1,0,0,1,0,0|1,0,1]=4 256 B8R1.7 O=C(O)[C@H]1CCCN1 CS-W020557 [1,0,0,1,0,0|1,0,1]=4 257 B8R1.7 O=C(O)[C@H]1CCCO1 CS-W005223 [1,0,0,1,0,0|1,0,1]=4 258 B8R1.7 O=C(O)[C@H]1CCNC1 CS-0053243 [1,0,0,1,0,0|1,0,1]=4 259 B8R1.7 O=C(O)[C@H]1CCNC1 CS-D0752 [1,0,0,1,0,0|1,0,1]=4 260 B8R1.7 O=C(O)[C@H]1CCOC1 CS-0053249 [1,0,0,1,0,0|1,0,1]=4 261 B8R1.7 OB(O)C1ccCC1 CS-0175028 [1,0,0,1,0,0|1,0,1]=4 262 B8R1.7 [C@@H]1(C(=O)O)CCOC1 CS-W006196 [1,0,0,1,0,0|1,0,1]=4 263 B8R1.34 O=C(O)CC1CCC1 CS-D0460 [1,0,0,1,0,0|0,0,2]=4 264 B8R1.34 O=C(O)CC1COC1 CS-0045509 [1,0,0,1,0,0|1,0,1]=4 265 B8R1.35 O=C(O)CCC1CC1 CS-D0289 [1,0,0,1,0,0|0,0,2]=4 266 B8R1.43 N#C[C@@H]1C[C@H]1C(=O)O CS-0047826 [1,0,0,1,0,0|1,0,1]=4 267 B8R1.23 C=C1CC(C(=O)O)C1 CS-M1233 [1,0,0,1,0,0|1,0,1]=4 268 B8R1.23 CC1CC(C(=O)O)C1 CS-W006107 [1,0,0,1,0,0|1,0,1]=4 269 B8R1.23 N[C@H]1C[C@@H](C(=O)O)C1 CS-0043980 [1,0,0,1,0,0|0,0,1]=3 270 B8R1.23 O=C(O)C1CC(Cl)C1 CS-0051401 [1,0,0,1,0,0|1,0,1]=4 271 B8R1.23 O=C(O)C1CC(F)C1 CS-0036337 [1,0,0,1,0,0|1,0,1]=4 272 B8R1.23 O=C(O)[C@H]1C[C@H](Br)C1 CS-0179205 [1,0,0,1,0,0|1,0,1]=4 273 B8R1.23 O=C(O)[C@H]1C[C@H](O)C1 CS-W018750 [1,0,0,1,0,0|1,0,1]=4 274 B8R1.23 O=C1CC(C(=O)O)N1 CS-W019929 [1,0,0,1,0,0|1,0,1]=4 275 B8R1.23 O=C1C[C@@H](C(=O)O)N1 CS-W013626 [1,0,0,1,0,0|1,0,1]=4 276 B8R1.23 [C@H]1(O)C[C@@H](C(=O)O)C1 CS-W005391 [1,0,0,1,0,0|1,0,1]=4 277 B8R1.51 CC1(C)CCC(=O)O1 CS-0061120 [1,0,0,1,0,0|1,0,1]=4 278 B8R1.77 CC1(C)CC1C(=O)O CS-W005115 [1,0,0,1,0,0|1,0,1]=4 279 B8R1.77 O=C(O)C1CC1(F)F CS-B1034 [1,0,0,1,0,0|2,0,0]=4 280 B8R1.77 O=C(O)[C@@H]1CC1(F)F CS-0053586 [1,0,0,1,0,0|2,0,0]=4 281 B8R1.18 CC1CC(=O)OC1=O CS-Z0015 [0,0,0,1,1,0|2,0,0]=4 282 B10R1.13 NC1CCC(C(=O)O)CC1 CS-W016414 [0,0,0,1,0,1|0,0,2]=4 283 B10R1.13 N[C@H]1CC[C@H](C(=O)O)CC1 CS-0017964 [0,0,0,1,0,1|0,0,2]=4 284 B10R1.13 [C@H]1(N)CC[C@@H](C(=O)O)CC1 CS-W005514 [0,0,0,1,0,1|0,0,2]=4 285 B10R1.13 [C@H]1(N)CC[C@H](C(=O)O)CC1 CS-W008392 [0,0,0,1,0,1|0,0,2]=4 286 B10R1.54 CC(=O)O[C@H]1C=C[C@@H](O)C1 CS-0053603 [0,0,0,1,0,1|2,0,0]=4 287 B10R1.54 CN1C=CN(CC(=O)O)C1 CS-0151161 [0,0,0,1,0,1|2,0,0]=4 288 B10R1.63 CC1(C)CCC(=O)OC1=O CS-0153793 [0,1,0,1,0,0|2,0,0]=4 289 B10R1.113 NC1C=CC=C(C(=O)O)C1 CS-0006036 [0,1,0,1,0,0|0,0,1]=3 290 B10R1.113 NC1CCCC(C(=O)O)C1 CS-W016417 [0,1,0,1,0,0|0,0,2]=4 291 B10R1.113 NC1CCCC(C(=O)O)C1 CS-W022616 [0,1,0,1,0,0|0,0,2]=4 292 B10R1.113 N[C@H]1CCC[C@@H](C(=O)O)C1 CS-0049713 [0,1,0,1,0,0|0,0,2]=4 293 B10R1.66 O=C(O)CCC1=CC=CN1 CS-W021754 [0,1,0,1,0,0|0,0,1]=3 294 B10R1.66 O=C(O)CCC1=CC=CO1 CS-0155529 [0,1,0,1,0,0|1,0,1]=4 295 B10R1.66 O=C(O)CCC1=CC=CS1 CS-0043395 [0,1,0,1,0,0|1,0,1]=4 296 B10R1.66 O=C(O)CCC1=CC=NO1 CS-0313337 [0,1,0,1,0,0|0,0,2]=4 297 B10R1.66 O=C(O)CCC1=CN=CN1 CS-0038274 [0,1,0,1,0,0|0,0,1]=3 298 B10R1.66 O=C(O)CCC1=CN=CS1 CS-0159433 [0,1,0,1,0,0|1,0,1]=4 299 B10R1.66 O=C(O)CCC1=CSC=C1 CS-0043393 [0,1,0,1,0,0|1,0,1]=4 300 B10R1.66 O=C(O)CCC1=NC=CN1 CS-0170811 [0,1,0,1,0,0|0,0,1]=3 301 B10R1.66 O=C(O)CCC1=NC=CN1 CS-0369857 [0,1,0,1,0,0|0,0,1]=3 302 B10R1.66 O=C(O)CCC1=NC=CS1 CS-W002963 [0,1,0,1,0,0|0,0,2]=4 303 B10R1.66 O=C(O)CCN1C=CC=C1 CS-0197479 [0,1,0,1,0,0|2,0,0]=4 304 B10R1.66 O=C(O)CCN1C=CC=N1 CS-W004012 [0,1,0,1,0,0|1,0,1]=4 305 B10R1.66 O=C(O)CCN1C=CN=C1 CS-W002976 [0,1,0,1,0,0|1,0,1]=4 306 B10R1.66 O=C(O)CCN1C=CN=N1 CS-0160043 [0,1,0,1,0,0|1,0,1]=4 307 B10R1.66 O=C(O)CCN1C=CN=N1 CS-0452494 [0,1,0,1,0,0|1,0,1]=4 308 B10R1.66 O=C(O)CCN1C=NC=N1 CS-0071091 [0,1,0,1,0,0|1,0,1]=4 309 B10R1.82 O=C(O)CCC1CC(=O)C1 CS-0051756 [0,1,0,1,0,0|1,0,1]=4 310 B6R0.2 CC(=O)C[C@@H](C)N CS-0434876 [1,0,0,0,1,0|1,0,1]=4 311 B6R0.2 CC(C)CC(=O)O CS-0881782 [1,0,0,0,1,0|1,0,1]=4 312 B6R0.2 CC(C)CC(=O)O CS-W013696 [1,0,0,0,1,0|1,0,1]=4 313 B6R0.2 CC(N)CC(=O)O CS-W009549 [1,0,0,0,1,0|0,0,1]=3 314 B6R0.2 CC(O)CC(=O)O CS-0062335 [1,0,0,0,1,0|1,0,1]=4 315 B6R0.2 C[C@H](N)CC(=O)O CS-0031371 [1,0,0,0,1,0|0,0,1]=3 316 B6R0.2 C[C@H](N)CC(=O)O CS-W001210 [1,0,0,0,1,0|0,0,1]=3 317 B6R0.2 C[C@H](O)CC(=O)O CS-0031375 [1,0,0,0,1,0|1,0,1]=4 318 B6R0.2 NC(=O)CC(=O)O CS-0149950 [1,0,0,0,1,0|1,0,1]=4 319 B6R0.2 [C@H](C)(N)CC(=O)O CS-0044025 [1,0,0,0,1,0|0,0,1]=3 320 B6R0.2 [C@H](C)(N)CC(=O)O CS-W005235 [1,0,0,0,1,0|0,0,1]=3 321 B6R0.2 [C@H](C)(O)CC(=O)O CS-0044101 [1,0,0,0,1,0|1,0,1]=4 322 B6R0.3 C=CC(C)C(=O)O CS-0006592 [0,0,0,0,2,0|1,0,0]=3 323 B6R0.3 C=C[C@@H](N)C(=O)O CS-0131608 [0,0,0,0,2,0|0,0,0]=2 324 B6R0.3 C=C[C@H](N)C(=O)O CS-D0476 [0,0,0,0,2,0|0,0,0]=2 325 B6R0.3 CCC(N)C(=O)O CS-W011306 [0,0,0,0,2,0|0,0,2]=4 326 B6R0.3 CC[C@@H](N)C(=O)O CS-D1130 [0,0,0,0,2,0|0,0,2]=4 327 B6R0.3 CC[C@H](N)C(=O)O CS-0044026 [0,0,0,0,2,0|0,0,2]=4 328 B6R0.3 NC(CO)C(=O)O CS-0015292 [0,0,0,0,2,0|1,0,1]=4 329 B6R0.3 NC(CS)C(=O)O CS-0201576 [0,0,0,0,2,0|1,0,1]=4 330 B6R0.3 NC(CS)C(=O)O CS-W013566 [0,0,0,0,2,0|1,0,1]=4 331 B6R0.3 NC(CS)C(=O)O CS-W014367 [0,0,0,0,2,0|1,0,1]=4 332 B6R0.3 NC(CS)C(=O)O CS-W017432 [0,0,0,0,2,0|1,0,1]=4 333 B6R0.3 NCC(N)C(=O)O CS-0130703 [0,0,0,0,2,0|1,0,1]=4 334 B6R0.3 NCC(N)C(=O)O CS-W014390 [0,0,0,0,2,0|1,0,1]=4 335 B6R0.3 NC[C@@H](N)C(=O)O CS-0311806 [0,0,0,0,2,0|1,0,1]=4 336 B6R0.3 NC[C@@H](N)C(=O)O CS-W011028 [0,0,0,0,2,0|1,0,1]=4 337 B6R0.3 NC[C@H](N)C(=O)O CS-W014389 [0,0,0,0,2,0|1,0,1]=4 338 B6R0.3 N[C@@H](CCl)C(=O)O CS-7792 [0,0,0,0,2,0|1,0,1]=4 339 B6R0.3 N[C@@H](CO)C(=O)O CS-0201873 [0,0,0,0,2,0|1,0,1]=4 340 B6R0.3 N[C@@H](CO)C(=O)O CS-W020136 [0,0,0,0,2,0|1,0,1]=4 341 B6R0.3 N[C@@H](CS)C(=O)O CS-W009027 [0,0,0,0,2,0|1,0,1]=4 342 B6R0.3 N[C@@H](CS)C(=O)O CS-W017431 [0,0,0,0,2,0|1,0,1]=4 343 B6R0.3 N[C@@H](CS)C(=O)O CS-W018517 [0,0,0,0,2,0|1,0,1]=4 344 B6R0.3 N[C@H](CCl)C(=O)O CS-0100201 [0,0,0,0,2,0|1,0,1]=4 345 B6R0.3 N[C@H](CCl)C(=O)O CS-W016173 [0,0,0,0,2,0|1,0,1]=4 346 B6R0.3 N[C@H](CO)C(=O)O CS-D1751 [0,0,0,0,2,0|1,0,1]=4 347 B6R0.3 N[C@H](CS)C(=O)O CS-W002074 [0,0,0,0,2,0|1,0,1]=4 348 B6R0.3 N[C@H](CS)C(=O)O CS-W019341 [0,0,0,0,2,0|1,0,1]=4 349 B6R0.3 [C@H](N)(CC)C(=O)O CS-W011305 [0,0,0,0,2,0|0,0,2]=4