0 B9R1.35 NC(=O)C1CCC(=O)N1 2959AL [0,0,0,0,0,0|1,0,0]=1 1 B9R1.35 NC1CCC(C(=O)O)C1 9225AF [0,0,0,0,0,0|2,0,1]=3 2 B9R1.35 N[C@@H]1CC[C@H](C(=O)O)C1 Z7280 [0,0,0,0,0,0|2,0,1]=3 3 B9R1.35 N[C@@H]1CN[C@H](C(=O)O)C1 8248AA [0,0,0,0,0,0|3,0,1]=4 4 B9R1.35 N[C@H]1CC[C@@H](C(=O)O)C1 Y6731 [0,0,0,0,0,0|2,0,1]=3 5 B9R1.35 O=C(O)[C@@H]1C[C@@H](F)CN1 S949 [0,0,0,0,0,0|3,0,1]=4 6 B9R1.35 O=C(O)[C@@H]1C[C@H](F)CN1 S923 [0,0,0,0,0,0|3,0,1]=4 7 B9R1.35 O=C(O)[C@@H]1C[C@H](F)CN1 Z5573 [0,0,0,0,0,0|3,0,1]=4 8 B9R1.35 O=C(O)[C@H]1C[C@@H](F)CN1 W9014 [0,0,0,0,0,0|3,0,1]=4 9 B9R1.35 O=C1CC(C(=O)O)CN1 1273AC [0,0,0,0,0,0|2,0,0]=2 10 B9R1.35 O=C1CCC(C(=O)O)C1 X3245 [0,0,0,0,0,0|1,0,0]=1 11 B9R1.35 O=C1CCC(C(=O)O)O1 Y8251 [0,0,0,0,0,0|1,0,0]=1 12 B9R1.35 O=C1CN[C@H](C(=O)O)C1 Z1691 [0,0,0,0,0,0|2,0,0]=2 13 B9R1.35 O=C1NC=C(C(=O)O)N1 V5719 [0,0,0,0,0,0|1,0,2]=3 14 B8R1.1 NCC1CCC(=O)N1 2507AA [1,0,0,0,0,0|1,0,1]=3 15 B8R1.1 O=C1CCC(CBr)O1 3312AH [1,0,0,0,0,0|2,0,1]=4 16 B8R1.1 O=C1CCC(CO)O1 X3393 [1,0,0,0,0,0|1,0,1]=3 17 B8R1.1 O=C1CC[C@@H](CBr)N1 W8109 [1,0,0,0,0,0|1,0,1]=3 18 B8R1.1 O=C1CC[C@@H](CO)O1 N841 [1,0,0,0,0,0|1,0,1]=3 19 B8R1.1 O=C1CC[C@H](CBr)N1 W9851 [1,0,0,0,0,0|1,0,1]=3 20 B8R1.1 O=C1CC[C@H](CO)O1 B249 [1,0,0,0,0,0|1,0,1]=3 21 B8R1.7 NC(=O)C1CCCO1 5362AC [1,0,0,0,0,0|2,0,1]=4 22 B8R1.7 NC(=O)C1CCNC1 9876AB [1,0,0,0,0,0|3,0,0]=4 23 B8R1.7 O=C(O)C1=CC=CN1 Q622 [1,0,0,0,0,0|0,0,3]=4 24 B8R1.7 O=C(O)C1CCNC1 W9737 [1,0,0,0,0,0|2,0,0]=3 25 B8R1.7 O=C(O)C1CSSC1 X3729 [1,0,0,0,0,0|3,0,0]=4 26 B8R1.7 O=C(O)C1NCCS1 W7647 [1,0,0,0,0,0|1,0,1]=3 27 B8R1.7 O=C(O)[C@@H]1C=CCN1 W4258 [1,0,0,0,0,0|2,0,0]=3 28 B8R1.7 O=C(O)[C@@H]1CCNC1 1252AC [1,0,0,0,0,0|2,0,0]=3 29 B8R1.7 O=C(O)[C@H]1CCNC1 1251AC [1,0,0,0,0,0|2,0,0]=3 30 B8R1.7 O=C(O)[C@H]1CCNC1 X9011 [1,0,0,0,0,0|2,0,0]=3 31 B8R1.7 O=C(O)[C@H]1CSCN1 6272AB [1,0,0,0,0,0|1,0,1]=3 32 B10R1.14 COC(=O)C1=CC(=O)CC1 X3410 [0,1,0,0,0,0|1,0,1]=3 33 B10R1.14 COC(=O)C1=CNC(=O)N1 0686AB [0,1,0,0,0,0|1,0,2]=4 34 B10R1.14 COC(=O)C1CCC(=O)C1 W5454 [0,1,0,0,0,0|1,0,0]=2 35 B10R1.14 COC(=O)C1CCN(C)C1 1024AE [0,1,0,0,0,0|3,0,0]=4 36 B10R1.14 COC(=O)[C@H]1COC(=O)N1 7123AA [0,1,0,0,0,0|1,0,0]=2 37 B10R1.31 O=CC1=CC=C(C(=O)O)N1 1060AC [0,1,0,0,0,0|0,0,3]=4 38 B10R1.58 CN1CC(C(=O)O)CC1=O V5890 [0,1,0,0,0,0|2,0,0]=3 39 B10R1.194 CN1CCC(C(=O)O)C1=O 3279AB [0,1,0,0,0,0|3,0,0]=4 40 B8R0.8 C#CCC[C@H](N)C(=O)O 0450AP [0,0,1,0,0,0|1,0,1]=3 41 B8R0.8 C=CCSC(C)C(=O)O 5401AE [0,0,1,0,0,0|3,0,0]=4 42 B8R0.8 CCCCC(O)C(=O)O 3592AH [0,0,1,0,0,0|2,0,1]=4 43 B8R0.8 CCCC[C@H](N)C(N)=O 7287AH [0,0,1,0,0,0|2,0,1]=4 44 B8R0.8 CSCC[C@H](N)C(N)=O V1142 [0,0,1,0,0,0|3,0,0]=4 45 B8R0.8 NCCC[C@H](N)C(=O)O 8160AL [0,0,1,0,0,0|1,0,1]=3 46 B8R0.9 CC(=O)NNC(=O)CCl 2532AE [0,0,1,0,0,0|3,0,0]=4 47 B8R0.9 CCC(=O)CCC(=O)O 8820AC [0,0,1,0,0,0|1,0,0]=2 48 B8R0.9 CCS(=O)CCC(=O)O 4032AD [0,0,1,0,0,0|2,0,0]=3 49 B8R0.9 COC(=O)CCC(N)=O 8250AL [0,0,1,0,0,0|3,0,0]=4 50 B8R0.9 O=C(O)CNC(=O)CCl 7081AE [0,0,1,0,0,0|1,0,0]=2 51 B8R0.15 CCC(NC=O)C(=O)O 1472AA [0,0,1,0,0,0|0,0,0]=1 52 B8R0.23 CC(NC(N)=O)C(=O)O 3202AL [0,0,1,0,0,0|1,0,0]=2 53 B8R0.23 C[C@@H](CC(=O)O)C(=O)O V1342 [0,0,1,0,0,0|2,0,0]=3 54 B8R0.23 NC(CC(=O)[O-])C(=O)O X5496 [0,0,1,0,0,0|3,0,0]=4 55 B8R0.23 N[C@@H](CC(=O)[O-])C(=O)O 6072AH [0,0,1,0,0,0|3,0,0]=4 56 B8R0.23 N[C@@H](CC(=O)[O-])C(=O)O 7299AH [0,0,1,0,0,0|3,0,0]=4 57 B8R0.23 N[C@@H](CC(=O)[O-])C(=O)O 7654AH [0,0,1,0,0,0|3,0,0]=4 58 B8R0.23 O=C(O)CC(Br)C(=O)O S343 [0,0,1,0,0,0|3,0,0]=4 59 B8R0.23 O=C(O)CC(O)C(=O)O 8844AL [0,0,1,0,0,0|3,0,0]=4 60 B8R0.28 CC(=O)CCOC(C)=O 0405AA [0,0,1,0,0,0|3,0,0]=4 61 B8R0.28 O=C(O)\C=C\CC(=O)O C638 [0,0,1,0,0,0|1,0,2]=4 62 B8R1.23 C=C1CC(C(=O)O)C1 Y3237 [0,0,0,0,1,0|2,0,0]=3 63 B8R1.23 CC1CC(C(=O)O)C1 W7069 [0,0,0,0,1,0|2,0,1]=4 64 B8R1.23 O=C(O)C1CC(O)C1 W4156 [0,0,0,0,1,0|1,0,2]=4 65 B10R1.13 CC(=O)C1CC=C(C)CC1 Z4935 [0,0,0,0,0,1|3,0,0]=4 66 B10R1.13 CC1=CCC(C(=O)O)CC1 6606AL [0,0,0,0,0,1|2,0,0]=3 67 B10R1.13 NC(=O)N1CCC(=O)CC1 3244AB [0,0,0,0,0,1|3,0,0]=4 68 B10R1.13 NC1CCC(C(=O)O)CC1 0769AF [0,0,0,0,0,1|2,0,1]=4 69 B10R1.13 N[C@H]1CC[C@H](C(=O)O)CC1 X0367 [0,0,0,0,0,1|2,0,1]=4 70 B10R1.13 N[C@H]1CC[C@H](C(=O)O)CC1 X2034 [0,0,0,0,0,1|2,0,1]=4 71 B10R1.13 O=C(O)[C@H]1CC[C@@H](O)CC1 3218AL [0,0,0,0,0,1|1,0,2]=4 72 B10R1.13 O=C1CCC(C(=O)O)CN1 1361AB [0,0,0,0,0,1|0,0,0]=1 73 B10R1.54 O=C1CCC(C[N+](=O)[O-])C1 Z5152 [0,0,0,0,0,1|2,0,1]=4 74 B10R1.113 CC1CCCC(C(=O)O)N1 W9881 [0,0,0,0,0,1|1,0,1]=3 75 B10R1.113 CN1CCOC(C(=O)O)C1 0383AF [0,0,0,0,0,1|3,0,0]=4 76 B10R1.113 NC1CCCC(C(=O)O)C1 5989AL [0,0,0,0,0,1|2,0,1]=4 77 B10R1.113 N[C@@H]1CCC[C@H](C(=O)O)C1 4020AL [0,0,0,0,0,1|2,0,1]=4 78 B10R1.113 N[C@H]1CCC[C@@H](C(=O)O)C1 8462AA [0,0,0,0,0,1|2,0,1]=4 79 B10R1.113 O=C(O)C1CCCC(O)C1 6064AL [0,0,0,0,0,1|1,0,2]=4 80 B10R1.113 O=C(O)C1CNCC(O)C1 2797AA [0,0,0,0,0,1|1,0,2]=4 81 B10R1.113 O=C1CCCC(C(=O)O)C1 8202AA [0,0,0,0,0,1|1,0,0]=2 82 B10R1.113 O=C1CCC[C@@H](C(=O)O)N1 W5621 [0,0,0,0,0,1|0,0,0]=1 83 B10R1.113 O=C1CCC[C@H](C(=O)O)N1 1176AC [0,0,0,0,0,1|0,0,0]=1 84 B10R1.113 O=C1N=CC=C(C(=O)O)N1 W9231 [0,0,0,0,0,1|0,0,3]=4 85 B7R0.3 C=CCNC(=O)CCl U937 [1,0,1,0,0,0|2,0,0]=4 86 B7R0.4 C=CCNCC(=O)O Y8695 [1,0,1,0,0,0|2,0,0]=4 87 B7R0.4 CCCOCC(=O)O 5344AE [1,0,1,0,0,0|1,0,1]=4 88 B7R0.4 CNCCCC(=O)O 2115AA [1,0,1,0,0,0|2,0,0]=4 89 B7R0.4 COCCCC(=O)O 2917AB [1,0,1,0,0,0|2,0,0]=4 90 B7R0.4 N#CCCCC(=O)O W5958 [1,0,1,0,0,0|0,0,2]=4 91 B7R0.4 NC(=O)CSCCO 6778AD [1,0,1,0,0,0|1,0,1]=4 92 B7R0.4 NCCCCC(=O)O 9495AB [1,0,1,0,0,0|0,0,1]=3 93 B7R0.5 C=CC[C@@H](N)C(=O)O 1695AA [1,0,1,0,0,0|0,0,1]=3 94 B7R0.5 CC(NC=O)C(=O)O 6246AE [1,0,1,0,0,0|0,0,0]=2 95 B7R0.5 CCC[C@H](N)C(N)=O Z6420 [1,0,1,0,0,0|1,0,1]=4 96 B7R0.5 COCC(N)C(=O)O Z1926 [1,0,1,0,0,0|1,0,1]=4 97 B7R0.5 CSC[C@H](N)C(=O)O V1222 [1,0,1,0,0,0|1,0,1]=4 98 B7R0.5 NC(CCS)C(=O)O D600 [1,0,1,0,0,0|0,1,0]=3 99 B7R0.5 NCCC(N)C(=O)O X3169 [1,0,1,0,0,0|1,0,0]=3 100 B7R0.5 NCC[C@H](N)C(=O)O 0470AP [1,0,1,0,0,0|1,0,0]=3 101 B7R0.5 NCC[C@H](N)C(=O)O 7090AH [1,0,1,0,0,0|1,0,0]=3 102 B7R0.6 C=C(C)CCC(=O)O 0114AA [1,0,1,0,0,0|2,0,0]=4 103 B7R0.6 CC(=O)CNC(C)=O 2096AC [1,0,1,0,0,0|1,0,0]=3 104 B7R0.15 CCC(NC)C(N)=O 1348AD [1,0,1,0,0,0|1,0,1]=4 105 B7R0.15 CN[C@@H](CO)C(=O)O 0565AP [1,0,1,0,0,0|1,0,1]=4 106 B7R0.15 CN[C@@H](CO)C(=O)O Z5780 [1,0,1,0,0,0|1,0,1]=4 107 B7R1.2 CC1CCC(=O)N1 1659AA [2,0,0,0,0,0|0,0,1]=3 108 B7R1.2 CC1COC(=O)N1 5156AD [2,0,0,0,0,0|1,0,1]=4 109 B7R1.2 C[C@@H]1COC(=O)N1 5441AB [2,0,0,0,0,0|1,0,1]=4 110 B7R1.2 C[C@H]1COC(=O)N1 5440AB [2,0,0,0,0,0|1,0,1]=4 111 B9R0.7 CC(=O)SC[C@@H](C)C(=O)O K790 [0,1,1,0,0,0|2,0,0]=4 112 B9R0.7 NC(=O)CC[C@H](N)C(N)=O 7141AH [0,1,1,0,0,0|1,0,0]=3 113 B9R0.7 NC(=O)NC[C@H](N)C(=O)O 6126AH [0,1,1,0,0,0|1,0,0]=3 114 B9R0.7 N[C@@H](CCC(=O)[O-])C(=O)O X5351 [0,1,1,0,0,0|0,0,0]=2 115 B9R0.8 CCCCC(N)C(=O)OC V7712 [0,1,1,0,0,0|1,0,1]=4 116 B9R0.13 CN[C@@H](CCSC)C(=O)O 0563AP [0,1,1,0,0,0|2,0,0]=4 117 B9R0.47 CCCCCC(N)C(=O)O 2079AA [0,1,1,0,0,0|1,0,1]=4 118 B9R0.47 CCCCC[C@@H](N)C(=O)O 6195AB [0,1,1,0,0,0|1,0,1]=4 119 B9R0.47 CCSCC[C@@H](N)C(=O)O C618 [0,1,1,0,0,0|1,0,1]=4 120 B9R0.47 NCCCCC(N)C(=O)O 8604AJ [0,1,1,0,0,0|1,0,1]=4 121 B9R0.47 NCCCC[C@H](N)C(=O)O 9230AB [0,1,1,0,0,0|1,0,1]=4 122 B9R0.47 [N-]=[N+]=NCC[C@H](N)C(=O)O 4414AH [0,1,1,0,0,0|2,0,0]=4 123 B9R0.23 CN(CC(=O)O)C(=O)CN 7028AH [0,1,1,0,0,0|1,0,0]=3 124 B9R0.23 COC(=O)[C@@H](N)CC(=O)O V1217 [0,1,1,0,0,0|2,0,0]=4 125 B9R0.24 CCC(=O)CCC(=O)CC 3019AB [0,1,1,0,0,0|2,0,0]=4 126 B9R0.48 CCOC(=O)CCC(N)=O 3830AL [0,1,1,0,0,0|2,0,0]=4 127 B9R0.39 CCC(NC(C)=O)C(=O)O 5036AL [0,1,1,0,0,0|0,0,0]=2 128 B9R0.39 CN[C@@H](CC(=O)O)C(=O)O Z5868 [0,1,1,0,0,0|2,0,0]=4 129 B9R0.1 CCC(=O)CCCC(=O)O 1673AE [0,1,1,0,0,0|1,0,0]=3 130 B9R0.53 NC(CC(=O)O)CC(=O)O 3938AB [0,1,1,0,0,0|1,0,0]=3 131 B9R0.56 NS(=O)(=O)CCCC(=O)O Y5311 [0,1,1,0,0,0|1,0,0]=3 132 B9R1.11 CNC(=O)[C@@H]1CCCN1 V5238 [1,1,0,0,0,0|1,0,1]=4 133 B9R1.11 COC(=O)C1CCCN1 Z5141 [1,1,0,0,0,0|0,0,1]=3 134 B9R1.11 COC(=O)C1CCOC1 3589AL [1,1,0,0,0,0|2,0,0]=4 135 B9R1.11 COC(=O)C1NCCS1 Y8749 [1,1,0,0,0,0|1,0,1]=4 136 B9R1.11 COC(=O)[C@@H]1C=CCN1 Z5700 [1,1,0,0,0,0|2,0,0]=4 137 B9R1.11 COC(=O)[C@@H]1CCNC1 W8977 [1,1,0,0,0,0|2,0,0]=4 138 B9R1.11 COC(=O)[C@H]1CCNC1 X8929 [1,1,0,0,0,0|2,0,0]=4 139 B9R1.41 CN1CCC[C@@H]1C(=O)O V7386 [1,1,0,0,0,0|0,0,1]=3 140 B9R1.41 CN1CCC[C@H]1C(=O)O 1661AL [1,1,0,0,0,0|0,0,1]=3 141 B9R1.41 NC1CCCC1C(=O)O 3422AA [1,1,0,0,0,0|1,0,1]=4 142 B9R1.41 N[C@H]1CCC[C@H]1C(=O)O 9632AA [1,1,0,0,0,0|1,0,1]=4 143 B9R1.41 O=C(O)[C@H]1CCCN1O X3039 [1,1,0,0,0,0|0,0,1]=3 144 B9R1.163 CC1(C(=O)O)CCCO1 9217AB [1,1,0,0,0,0|1,0,1]=4 145 B9R1.163 C[C@@]1(C(=O)O)CCCN1 W6243 [1,1,0,0,0,0|0,0,1]=3 146 B9R1.163 C[C@@]1(C(=O)O)CCCN1 X5473 [1,1,0,0,0,0|0,0,1]=3 147 B9R1.82 C=C1CC(C(=O)OC)C1 8031AA [0,1,0,0,1,0|2,0,0]=4 148 B11R1.3 O=CN1CCC(C(=O)O)CC1 0374AF [0,1,0,0,0,1|2,0,0]=4 149 B11R1.22 COC(=O)C1CCC(=O)NC1 W9779 [0,1,0,0,0,1|0,0,0]=2 150 B11R1.22 COC(=O)C1CCC(C)NC1 Z5322 [0,1,0,0,0,1|1,0,1]=4 151 B11R1.220 CC1(C(=O)O)CCC(=O)CC1 1836AB [0,1,0,0,0,1|1,0,0]=3 152 B11R1.727 O=C(O)C1CCS(=O)(=O)CC1 W7589 [0,1,0,0,0,1|2,0,0]=4 153 B11R1.23 COC(=O)C1=CC(=O)CCC1 3551AL [0,1,0,0,0,1|1,0,1]=4 154 B11R1.23 COC(=O)C1CCNC(=O)C1 Y5083 [0,1,0,0,0,1|1,0,0]=3 155 B11R1.15 CCOC(=O)C1CCC(=O)C1 W6832 [0,2,0,0,0,0|1,0,0]=3 156 B11R1.15 CCOC(=O)C1CNC(=O)C1 8987AB [0,2,0,0,0,0|2,0,0]=4 157 B11R1.15 CCOC(=O)N1CCC(=O)C1 3645AH [0,2,0,0,0,0|2,0,0]=4 158 B11R1.226 COC(=O)C1CC(=O)N(C)C1 8917AB [0,2,0,0,0,0|2,0,0]=4 159 B11R1.48 CCN1CC(C(=O)O)CC1=O 4971AE [0,2,0,0,0,0|2,0,0]=4 160 B11R1.175 O=C(O)C1CSC(C(=O)O)N1 9484AD [0,2,0,0,0,0|1,0,1]=4 161 B11R1.175 O=C(O)[C@H]1CC[C@@H](C(=O)O)C1 3901AC [0,2,0,0,0,0|1,0,1]=4 162 B11R1.489 CC1(C)OC(=O)CC1C(=O)O 9021AL [0,2,0,0,0,0|2,0,0]=4 163 B9R1.6 O=C(O)[C@@H]1CCCCN1 W4435 [0,0,1,1,0,0|1,0,1]=4 164 B9R1.6 O=C(O)[C@H]1CC=CCC1 O030 [0,0,1,1,0,0|2,0,0]=4 165 B9R1.69 NC1CCC(=O)NC1=O 1594AB [0,0,1,1,0,0|1,0,0]=3 166 B9R1.112 NC(CC1CC1)C(=O)O 7919AA [0,0,1,1,0,0|1,0,1]=4 167 B7R0.16 CC(=O)N(C)C(C)=O Y3328 [0,0,1,0,1,0|2,0,0]=4 168 B7R0.16 CC(C)C(C)C(=O)O 6994AA [0,0,1,0,1,0|1,0,1]=4 169 B7R0.16 C[C@@H](C(=O)O)N(C)C 1280AL [0,0,1,0,1,0|2,0,0]=4 170 B7R1.18 CC(=O)C1CCC1 9513AD [1,0,0,0,1,0|1,0,1]=4 171 B7R1.18 O=C(O)C1CCN1 X2014 [1,0,0,0,1,0|0,0,0]=2 172 B7R1.18 O=C(O)C1COC1 X3417 [1,0,0,0,1,0|1,0,1]=4 173 B7R1.18 O=C(O)[C@@H]1CCN1 D297 [1,0,0,0,1,0|0,0,0]=2 174 B7R1.18 O=C(O)[C@H]1CCN1 Z4994 [1,0,0,0,1,0|0,0,0]=2 175 B9R0.4 CSCC[C@H](N)CC(=O)O Z5847 [0,0,1,0,0,1|2,0,0]=4 176 B9R0.55 O=C([O-])CCCCC(=O)[O-] 7021AL [0,0,1,0,0,1|1,0,1]=4 177 B9R1.13 O=C(O)CC1CCCC1 2161AA [1,0,0,0,0,1|1,0,1]=4 178 B9R1.13 O=C(O)CC1CCCN1 X4013 [1,0,0,0,0,1|0,0,1]=3 179 B9R1.13 O=C(O)CC1CCOC1 W3025 [1,0,0,0,0,1|2,0,0]=4 180 B9R1.13 O=C(O)C[C@@H]1CCCN1 M616 [1,0,0,0,0,1|0,0,1]=3 181 B9R1.13 O=C(O)C[C@H]1CCCN1 6072AB [1,0,0,0,0,1|0,0,1]=3 182 B9R1.13 O=C(O)C[C@H]1CCCN1 9054AH [1,0,0,0,0,1|0,0,1]=3 183 B11R1.20 CC(=O)OC1CCC(=O)CC1 5616AB [0,0,0,0,0,2|2,0,0]=4