0 B5R0.5 C=C(F)C(=O)O 26-4713 [0,0,0,0,0,0|1,0,2]=3 1 B5R0.5 CC(=O)C(=O)O 020761 [0,0,0,0,0,0|0,0,2]=2 2 B5R0.5 CC(=O)C(F)F 27-108 [0,0,0,0,0,0|3,0,0]=3 3 B5R0.5 CC(=O)[C@H](C)F 26-3573 [0,0,0,0,0,0|2,0,0]=2 4 B5R0.5 CC(C)C(N)=O 08-2289 [0,0,0,0,0,0|2,0,0]=2 5 B5R0.5 CC(C)C(N)=S 08-2423 [0,0,0,0,0,0|2,1,0]=3 6 B5R0.5 CN(N)C(N)=O 08-5500 [0,0,0,0,0,0|3,0,0]=3 7 B5R0.5 C[C@H](Cl)C(=O)Cl CS-223 [0,0,0,0,0,0|2,0,0]=2 8 B5R0.5 C[C@H](N)C(=O)O 04-113 [0,0,0,0,0,0|1,0,0]=1 9 B5R0.5 C[C@H](N)C(=O)O BIO-434 [0,0,0,0,0,0|1,0,0]=1 10 B5R0.5 C[C@H](N)C(=O)O BIO-440 [0,0,0,0,0,0|1,0,0]=1 11 B5R0.5 C[C@H](N)C(N)=O 04-120 [0,0,0,0,0,0|2,0,0]=2 12 B5R0.5 C[C@H](N)C(N)=O 04-121 [0,0,0,0,0,0|2,0,0]=2 13 B5R0.5 C[C@H](O)C(=O)O BIO-636 [0,0,0,0,0,0|0,0,0]=0 14 B5R0.5 NC(=O)C(F)F 27-107 [0,0,0,0,0,0|3,0,0]=3 15 B5R0.5 NC(=O)[C@@H](F)Br 27-042 [0,0,0,0,0,0|3,0,0]=3 16 B5R0.5 NC(=O)[C@@H](F)Cl 27-076 [0,0,0,0,0,0|3,0,0]=3 17 B5R0.5 NC(=O)[C@@H](F)I 27-174 [0,0,0,0,0,0|3,0,0]=3 18 B5R0.5 O=C(O)C(=O)O 15-0200 [0,0,0,0,0,0|1,0,1]=2 19 B5R0.5 O=C(O)[C@@H](F)Cl 27-077 [0,0,0,0,0,0|2,0,0]=2 20 B5R0.5 OB(O)B(O)O 08-6151 [0,0,0,0,0,0|3,0,1]=4 21 B4R0.1 CC(=O)CF 26-862 [1,0,0,0,0,0|2,0,0]=3 22 B4R0.1 CC(=O)NO BIO-467 [1,0,0,0,0,0|2,0,0]=3 23 B4R0.1 CC(C)=CBr 08-1738 [1,0,0,0,0,0|2,0,1]=4 24 B4R0.1 CC(C)C=O CS-446 [1,0,0,0,0,0|1,0,0]=2 25 B4R0.1 CCB(O)O 08-278 [1,0,0,0,0,0|1,0,1]=3 26 B4R0.1 CCC(=O)O 10-0300 [1,0,0,0,0,0|0,0,0]=1 27 B4R0.1 COC(C)=O 20-0200 [1,0,0,0,0,0|2,0,0]=3 28 B4R0.1 C[C@H](N)CO 026144 [1,0,0,0,0,0|1,0,1]=3 29 B4R0.1 C[C@H](N)CO 04-156 [1,0,0,0,0,0|1,0,1]=3 30 B4R0.1 NC(=O)CBr CS-113 [1,0,0,0,0,0|2,0,0]=3 31 B4R0.1 NC(=O)NO BIO-216 [1,0,0,0,0,0|2,0,0]=3 32 B4R0.1 NC(=S)CF 08-7361 [1,0,0,0,0,0|2,1,0]=4 33 B4R0.1 NCC(=O)O BIO-131 [1,0,0,0,0,0|1,0,0]=2 34 B4R0.1 NCC(N)=O 06-036 [1,0,0,0,0,0|2,0,0]=3 35 B4R0.1 NNC(N)=O BIO-692 [1,0,0,0,0,0|3,0,0]=4 36 B4R0.1 O=C(O)CI CS-620 [1,0,0,0,0,0|1,0,0]=2 37 B4R0.1 O=C(O)CO 026169 [1,0,0,0,0,0|0,0,0]=1 38 B4R0.1 OCC(F)F 26-660 [1,0,0,0,0,0|2,0,1]=4 39 B4R0.1 ON=C(Br)Br 08-1052 [1,0,0,0,0,0|3,0,0]=4 40 B6R0.3 CC(C)C(=O)NN 08-5319 [0,1,0,0,0,0|2,0,0]=3 41 B6R0.3 CC(C)[C@@H](N)CO 025228 [0,1,0,0,0,0|2,0,1]=4 42 B6R0.3 CC(C)[C@@H](N)CO 04-2687 [0,1,0,0,0,0|2,0,1]=4 43 B6R0.3 CCC(=O)C(=O)O BIO-852 [0,1,0,0,0,0|0,0,2]=3 44 B6R0.3 CC[C@H](N)C(=O)O 04-246 [0,1,0,0,0,0|1,0,0]=2 45 B6R0.3 CC[C@H](N)C(=O)O 04-247 [0,1,0,0,0,0|1,0,0]=2 46 B6R0.3 CNC(=O)[C@@H](F)Cl 27-190 [0,1,0,0,0,0|3,0,0]=4 47 B6R0.3 CNC(=O)[C@@H](F)I 27-192 [0,1,0,0,0,0|3,0,0]=4 48 B6R0.3 CN[C@@H](C)C(=O)O 04-2116 [0,1,0,0,0,0|1,0,0]=2 49 B6R0.3 COC(=O)C(F)F 09-1640 [0,1,0,0,0,0|2,0,0]=3 50 B6R0.3 COC(=O)[C@H](C)N 024047 [0,1,0,0,0,0|1,0,0]=2 51 B6R0.3 COC(=O)[C@H](C)N 04-140 [0,1,0,0,0,0|1,0,0]=2 52 B6R0.3 C[C@H](O)[C@@H](N)CO 04-2510 [0,1,0,0,0,0|1,0,1]=3 53 B6R0.3 C\C=C(/C)C(=O)O 020772 [0,1,0,0,0,0|1,0,1]=3 54 B6R0.3 C\C=C(\C)C(=O)O 06-231 [0,1,0,0,0,0|1,0,1]=3 55 B6R0.3 NC(=O)[C@@H](N)CO 04-2431 [0,1,0,0,0,0|2,0,0]=3 56 B6R0.3 NC[C@H](F)C(=O)O 09-619 [0,1,0,0,0,0|1,0,0]=2 57 B6R0.3 NC[C@H](N)C(=O)O 04-1099 [0,1,0,0,0,0|1,0,0]=2 58 B6R0.3 NC[C@H](N)C(=O)O 04-1100 [0,1,0,0,0,0|1,0,0]=2 59 B6R0.3 N[C@@H](CO)C(=O)O 025605 [0,1,0,0,0,0|1,0,0]=2 60 B6R0.3 N[C@@H](CO)C(=O)O BIO-431 [0,1,0,0,0,0|1,0,0]=2 61 B6R0.3 N[C@@H](CS)C(=O)O 04-1080 [0,1,0,0,0,0|1,0,0]=2 62 B6R0.3 N[C@@H](CS)C(=O)O 04-1081 [0,1,0,0,0,0|1,0,0]=2 63 B6R0.3 N[C@@H](CS)C(=O)O BIO-116 [0,1,0,0,0,0|1,0,0]=2 64 B6R0.3 N[C@@H](CS)C(=O)O BIO-436 [0,1,0,0,0,0|1,0,0]=2 65 B6R0.7 CC(C)(C)[S@@](N)=O 025261 [0,1,0,0,0,0|3,0,0]=4 66 B6R0.7 CC(C)(C)[S@@](N)=O 025364 [0,1,0,0,0,0|3,0,0]=4 67 B6R0.7 CC(C)(C)[S@@](N)=O 08-6825 [0,1,0,0,0,0|3,0,0]=4 68 B6R0.7 CC(C)(F)C(=O)O 26-4711 [0,1,0,0,0,0|1,0,0]=2 69 B6R0.7 CC(C)(N)C(=O)O 04-276 [0,1,0,0,0,0|1,0,0]=2 70 B6R0.7 CC(C)(O)C(=O)O 04-1798 [0,1,0,0,0,0|0,0,0]=1 71 B6R0.7 C[C@H](O)C(F)(F)F 26-1994 [0,1,0,0,0,0|2,0,1]=4 72 B6R0.7 NC(=O)C(F)(F)Br 27-036 [0,1,0,0,0,0|3,0,0]=4 73 B6R0.7 NC(=O)C(F)(F)Cl 09-436 [0,1,0,0,0,0|3,0,0]=4 74 B6R0.7 NC(=O)C(F)(F)F 26-1829 [0,1,0,0,0,0|3,0,0]=4 75 B6R0.7 O=C(Br)C(F)(F)Br 26-244 [0,1,0,0,0,0|3,0,0]=4 76 B6R0.7 O=C(Cl)C(F)(F)Br 26-245 [0,1,0,0,0,0|3,0,0]=4 77 B6R0.7 O=C(Cl)C(F)(F)Cl 27-075 [0,1,0,0,0,0|3,0,0]=4 78 B6R0.7 O=C(O)C(F)(F)Br 26-2487 [0,1,0,0,0,0|2,0,0]=3 79 B6R0.7 O=C(O)C(F)(F)Cl 09-437 [0,1,0,0,0,0|2,0,0]=3 80 B6R0.7 O=C(O)C(F)(F)F 09-1780 [0,1,0,0,0,0|2,0,0]=3 81 B6R0.7 O=C(O)C(F)(F)F 26-2316 [0,1,0,0,0,0|2,0,0]=3 82 B6R0.7 O=C(O)C(F)(F)F 26-4488 [0,1,0,0,0,0|2,0,0]=3 83 B6R0.7 O=C(O)C(F)(F)F 26-4751 [0,1,0,0,0,0|2,0,0]=3 84 B6R1.4 C[C@H]1COC1=O 08-7564 [0,0,0,1,0,0|1,0,0]=2 85 B6R1.11 N=C(N)C1CC1 08-6889 [0,0,0,1,0,0|3,0,0]=4 86 B6R1.11 OB(O)C1CC1 08-1049 [0,0,0,1,0,0|2,0,1]=4 87 B6R0.2 CC(C)CB(O)O 08-353 [0,0,0,0,0,1|2,0,1]=4 88 B6R0.2 CC(C)CC(=O)O 022864S [0,0,0,0,0,1|1,0,0]=2 89 B6R0.2 C[C@H](O)CC(=O)O 021350 [0,0,0,0,0,1|0,0,0]=1 90 B6R0.2 O=C(O)CC(=O)O 15-0300 [0,0,0,0,0,1|1,0,1]=3 91 B3R0.1 CCNN 08-6014 [2,0,0,0,0,0|2,0,0]=4 92 B3R0.2 CB(O)O 08-378 [2,0,0,0,0,0|1,0,0]=3 93 B3R0.2 C[N+](=O)[O-] BIO-352 [2,0,0,0,0,0|1,0,1]=4 94 B3R0.2 NC(N)=O BIO-421 [2,0,0,0,0,0|2,0,0]=4 95 B5R0.1 C=C(C)OCC 08-3147 [1,1,0,0,0,0|2,0,0]=4 96 B5R0.1 CCCB(O)O 08-422 [1,1,0,0,0,0|1,0,1]=4 97 B5R0.1 CCCC(=O)O 10-0400 [1,1,0,0,0,0|0,0,0]=2 98 B5R0.1 CNCC(=O)O 04-2418 [1,1,0,0,0,0|0,0,0]=2 99 B5R0.1 CNCC(=O)O BIO-957 [1,1,0,0,0,0|0,0,0]=2 100 B5R0.1 CNCC(N)=O 04-2420 [1,1,0,0,0,0|1,0,0]=3 101 B5R0.1 C\C=C\C(=O)O 020716 [1,1,0,0,0,0|0,0,1]=3 102 B5R0.1 NCCC(=O)O 025502 [1,1,0,0,0,0|0,0,0]=2 103 B5R0.1 O=C(O)CCCl CS-222 [1,1,0,0,0,0|0,0,0]=2 104 B5R0.3 C=C(CO)CO 08-5506 [1,1,0,0,0,0|1,0,0]=3 105 B5R0.3 CCC(=O)OC 20-0300 [1,1,0,0,0,0|0,0,0]=2 106 B5R0.3 CC[C@H](C)CO 025049S [1,1,0,0,0,0|1,0,1]=4 107 B5R0.3 COC(=O)CN 04-1589 [1,1,0,0,0,0|1,0,0]=3 108 B5R0.3 O=C(CCl)CCl 08-2018 [1,1,0,0,0,0|2,0,0]=4 109 B5R0.3 O=CC(Br)C=O 08-951 [1,1,0,0,0,0|1,0,1]=4 110 B5R0.3 O=C[C@@H](O)CO BIO-609 [1,1,0,0,0,0|0,0,0]=2 111 B5R0.3 O=C[C@@H](O)CO BIO-610 [1,1,0,0,0,0|0,0,0]=2 112 B5R0.3 OC(CF)CF 26-701 [1,1,0,0,0,0|1,0,1]=4 113 B5R0.3 O[C@@H](CF)CCl 26-408 [1,1,0,0,0,0|1,0,1]=4 114 B5R0.4 CC(C)(O)C=O 025111S [1,1,0,0,0,0|0,0,0]=2 115 B7R0.2 CC[C@H](C)CC(=O)O CS-801 [0,1,0,0,0,1|1,0,0]=3 116 B7R0.2 CC[C@H](O)CC(=O)O 14-0503 [0,1,0,0,0,1|0,0,0]=2 117 B7R0.2 NC[C@@H](O)CC(=O)O 04-273 [0,1,0,0,0,1|0,0,0]=2 118 B7R0.9 CN(C)(C)CC(=O)O 06-316 [0,1,0,0,0,1|2,0,0]=4 119 B7R0.9 C[N+](C)(C)CC(=O)O 26-0800-97 [0,1,0,0,0,1|2,0,0]=4 120 B7R0.9 O=C(O)CC(F)(F)F 09-2562 [0,1,0,0,0,1|2,0,0]=4 121 B7R0.16 CC(C)[C@H](N)C(=O)O 04-2664 [0,1,0,0,0,1|1,0,0]=3 122 B7R0.16 CC(C)[C@H](N)C(=O)O BIO-433 [0,1,0,0,0,1|1,0,0]=3 123 B7R0.16 CC(C)[C@H](N)C(N)=O 04-2669 [0,1,0,0,0,1|2,0,0]=4 124 B7R0.16 CC(C)[C@H](N)C(N)=O 04-2670 [0,1,0,0,0,1|2,0,0]=4 125 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O 022308 [0,1,0,0,0,1|0,0,0]=2 126 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O 023234 [0,1,0,0,0,1|0,0,0]=2 127 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O 025644 [0,1,0,0,0,1|0,0,0]=2 128 B7R0.16 C[C@@H](O)[C@H](N)C(N)=O 04-2498 [0,1,0,0,0,1|1,0,0]=3 129 B7R0.16 C[C@H](O)[C@H](N)C(=O)O BIO-965 [0,1,0,0,0,1|0,0,0]=2 130 B7R0.5 CCC[C@H](C)C(=O)O CS-800 [0,2,0,0,0,0|1,0,0]=3 131 B7R0.5 CCC[C@H](N)C(=O)O 021880 [0,2,0,0,0,0|1,0,0]=3 132 B7R0.5 CCC[C@H](N)C(=O)O 04-2202 [0,2,0,0,0,0|1,0,0]=3 133 B7R0.5 CCC[C@H](N)C(N)=O 04-2207 [0,2,0,0,0,0|2,0,0]=4 134 B7R0.5 CCOC(=O)C(F)F 26-787 [0,2,0,0,0,0|2,0,0]=4 135 B7R0.5 CCOC(=O)[C@@H](F)Cl 26-781 [0,2,0,0,0,0|2,0,0]=4 136 B7R0.5 CCOC(=O)[C@@H](F)I 26-809 [0,2,0,0,0,0|2,0,0]=4 137 B7R0.5 CCOC(=O)[C@H](C)F 26-799 [0,2,0,0,0,0|1,0,0]=3 138 B7R0.5 CCOC(=O)[C@H](C)N 04-132 [0,2,0,0,0,0|1,0,0]=3 139 B7R0.5 CSC[C@H](N)C(=O)O 025849 [0,2,0,0,0,0|1,0,0]=3 140 B7R0.5 C[C@H](NC=O)C(=O)O 04-1420 [0,2,0,0,0,0|0,0,1]=3 141 B7R0.5 N#CC[C@H](N)C(=O)O 04-112 [0,2,0,0,0,0|1,0,0]=3 142 B7R0.5 N[C@@H](CCS)C(=O)O BIO-615 [0,2,0,0,0,0|1,0,0]=3 143 B7R0.10 CC[C@H](O)[C@H](N)CO 56-1309 [0,2,0,0,0,0|1,0,1]=4 144 B7R0.10 COC(=O)C(=O)CBr 08-1105 [0,2,0,0,0,0|0,0,2]=4 145 B7R0.10 COC(=O)C(=O)OC 25-0200 [0,2,0,0,0,0|0,0,2]=4 146 B7R0.10 COC(=O)[C@@H](N)CCl 04-1036 [0,2,0,0,0,0|1,0,0]=3 147 B7R0.10 COC(=O)[C@@H](N)CO 04-2444 [0,2,0,0,0,0|1,0,0]=3 148 B7R0.10 COC(=O)[C@@H](N)CO 25-081 [0,2,0,0,0,0|1,0,0]=3 149 B7R0.10 COC(=O)[C@H](C)OC CS-795 [0,2,0,0,0,0|0,0,0]=2 150 B7R0.10 OC[C@H](O)[C@H](O)CO 024100 [0,2,0,0,0,0|0,0,2]=4 151 B7R0.10 O[C@H](CS)[C@@H](O)CS BIO-171 [0,2,0,0,0,0|0,1,1]=4 152 B7R0.14 COC(=O)C(F)(F)F 26-4198 [0,2,0,0,0,0|2,0,0]=4 153 B7R0.15 CN[C@@H](CO)C(=O)O 22-409 [0,2,0,0,0,0|0,0,0]=2 154 B5R1.2 BrC1COC1 08-3874 [1,0,0,1,0,0|1,0,1]=4 155 B5R1.2 ClC1COC1 08-7070 [1,0,0,1,0,0|1,0,1]=4 156 B5R1.2 IC1COC1 08-3990 [1,0,0,1,0,0|1,0,1]=4 157 B5R1.2 NC1COC1 025941 [1,0,0,1,0,0|1,0,1]=4 158 B5R1.2 NC1COC1 08-3290 [1,0,0,1,0,0|1,0,1]=4 159 B5R1.2 O=C1CNC1 08-4650 [1,0,0,1,0,0|2,0,0]=4 160 B5R1.2 O=C1COC1 08-2476 [1,0,0,1,0,0|1,0,0]=3 161 B5R1.2 O=C1CSC1 08-4092 [1,0,0,1,0,0|1,1,0]=4 162 B5R1.2 OC1CNC1 08-3985 [1,0,0,1,0,0|1,0,1]=4 163 B5R1.2 OC1COC1 08-4030 [1,0,0,1,0,0|0,0,1]=3 164 B5R1.2 SC1COC1 08-7827 [1,0,0,1,0,0|0,1,1]=4 165 B7R1.2 O=C1C=C(Br)CO1 08-1670 [0,0,0,1,0,1|1,0,1]=4 166 B7R1.4 N[C@H]1CCSC1=O BIO-831 [0,1,0,1,0,0|1,1,0]=4 167 B7R1.4 N[C@H]1CONC1=O BIO-126 [0,1,0,1,0,0|1,0,0]=3 168 B7R1.4 O=C1NCC[C@@H]1Br 08-10050 [0,1,0,1,0,0|2,0,0]=4 169 B7R1.4 O=C1NCC[C@H]1O 08-10451 [0,1,0,1,0,0|1,0,0]=3 170 B7R1.4 O[C@H]1CCC=C1Br 08-10582 [0,1,0,1,0,0|2,0,0]=4 171 B7R1.4 O[C@H]1COC[C@H]1O 024464 [0,1,0,1,0,0|0,0,2]=4 172 B7R1.18 NC(=O)C1CNC1 08-4566 [0,1,0,1,0,0|2,0,0]=4 173 B7R1.18 O=C(O)C1CNC1 08-4541 [0,1,0,1,0,0|1,0,0]=3 174 B7R1.18 O=C(O)[C@@H]1CCN1 024375 [0,1,0,1,0,0|1,0,0]=3 175 B7R1.18 O=C(O)[C@@H]1CCN1 024439 [0,1,0,1,0,0|1,0,0]=3 176 B7R1.18 O=C(O)[C@@H]1CCN1 024974S [0,1,0,1,0,0|1,0,0]=3 177 B7R1.18 O=C(O)[C@@H]1CCN1 04-395 [0,1,0,1,0,0|1,0,0]=3 178 B7R1.18 O=C(O)[C@@H]1CCO1 08-8067 [0,1,0,1,0,0|0,0,0]=2 179 B7R1.19 CC1(C(=O)O)CC1 08-10054 [0,1,0,1,0,0|1,0,0]=3 180 B7R1.19 NC1(C(=O)O)CC1 04-264 [0,1,0,1,0,0|1,0,0]=3 181 B7R1.22 NNC(=O)C1CC1 08-6988 [0,1,0,1,0,0|2,0,0]=4 182 B7R0.6 CC(=O)NCC(=O)O 04-2739 [0,0,0,0,0,2|0,0,2]=4 183 B7R0.6 CC(=O)OCC(C)C 025143S [0,0,0,0,0,2|2,0,0]=4 184 B7R0.6 O=C(O)CCC(=O)O 15-0400 [0,0,0,0,0,2|1,0,1]=4 185 B7R0.6 O=C(O)\C=C/C(=O)O 022104 [0,0,0,0,0,2|1,0,1]=4 186 B7R0.6 O=C(O)\C=C\C(=O)O 020723 [0,0,0,0,0,2|1,0,1]=4