0 B6R0.3 CCC(=O)C(=O)O BIO-852 [0,0,0,0,0,0|1,0,0]=1 1 B6R0.3 CC[C@H](N)C(=O)O 04-246 [0,0,0,0,0,0|2,0,1]=3 2 B6R0.3 CC[C@H](N)C(=O)O 04-247 [0,0,0,0,0,0|2,0,1]=3 3 B6R0.3 CN[C@@H](C)C(=O)O 04-2116 [0,0,0,0,0,0|3,0,1]=4 4 B6R0.3 C[C@H](O)[C@@H](N)CO 04-2510 [0,0,0,0,0,0|2,0,2]=4 5 B6R0.3 C\C=C(/C)C(=O)O 020772 [0,0,0,0,0,0|2,0,1]=3 6 B6R0.3 C\C=C(\C)C(=O)O 06-231 [0,0,0,0,0,0|2,0,1]=3 7 B6R0.3 NC(=O)[C@@H](N)CO 04-2431 [0,0,0,0,0,0|2,0,1]=3 8 B6R0.3 NC[C@H](F)C(=O)O 09-619 [0,0,0,0,0,0|2,0,1]=3 9 B6R0.3 NC[C@H](N)C(=O)O 04-1099 [0,0,0,0,0,0|2,0,1]=3 10 B6R0.3 NC[C@H](N)C(=O)O 04-1100 [0,0,0,0,0,0|2,0,1]=3 11 B6R0.3 N[C@@H](CO)C(=O)O 025605 [0,0,0,0,0,0|1,0,1]=2 12 B6R0.3 N[C@@H](CO)C(=O)O BIO-431 [0,0,0,0,0,0|1,0,1]=2 13 B6R0.3 N[C@@H](CS)C(=O)O 04-1080 [0,0,0,0,0,0|1,1,1]=3 14 B6R0.3 N[C@@H](CS)C(=O)O 04-1081 [0,0,0,0,0,0|1,1,1]=3 15 B6R0.3 N[C@@H](CS)C(=O)O BIO-116 [0,0,0,0,0,0|1,1,1]=3 16 B6R0.3 N[C@@H](CS)C(=O)O BIO-436 [0,0,0,0,0,0|1,1,1]=3 17 B5R0.1 CCCC(=O)O 10-0400 [1,0,0,0,0,0|1,0,1]=3 18 B5R0.1 CNCC(=O)O 04-2418 [1,0,0,0,0,0|2,0,1]=4 19 B5R0.1 CNCC(=O)O BIO-957 [1,0,0,0,0,0|2,0,1]=4 20 B5R0.1 C\C=C\C(=O)O 020716 [1,0,0,0,0,0|1,0,1]=3 21 B5R0.1 NCCC(=O)O 025502 [1,0,0,0,0,0|1,0,1]=3 22 B5R0.1 O=C(O)CCCl CS-222 [1,0,0,0,0,0|1,0,1]=3 23 B5R0.3 C=C(CO)CO 08-5506 [1,0,0,0,0,0|1,0,1]=3 24 B5R0.3 CCC(=O)OC 20-0300 [1,0,0,0,0,0|3,0,0]=4 25 B5R0.3 COC(=O)CN 04-1589 [1,0,0,0,0,0|3,0,0]=4 26 B5R0.3 O=C(CCl)CCl 08-2018 [1,0,0,0,0,0|2,0,1]=4 27 B5R0.3 O=C[C@@H](O)CO BIO-609 [1,0,0,0,0,0|0,0,2]=3 28 B5R0.3 O=C[C@@H](O)CO BIO-610 [1,0,0,0,0,0|0,0,2]=3 29 B5R0.5 C=C(F)C(=O)O 26-4713 [1,0,0,0,0,0|1,0,1]=3 30 B5R0.5 CC(=O)C(=O)O 020761 [1,0,0,0,0,0|0,0,0]=1 31 B5R0.5 CC(=O)C(F)F 27-108 [1,0,0,0,0,0|2,0,1]=4 32 B5R0.5 CC(=O)[C@H](C)F 26-3573 [1,0,0,0,0,0|2,0,1]=4 33 B5R0.5 CC(C)C(N)=O 08-2289 [1,0,0,0,0,0|2,0,1]=4 34 B5R0.5 CN(N)C(N)=O 08-5500 [1,0,0,0,0,0|3,0,0]=4 35 B5R0.5 C[C@H](Cl)C(=O)Cl CS-223 [1,0,0,0,0,0|2,0,1]=4 36 B5R0.5 C[C@H](N)C(=O)O 04-113 [1,0,0,0,0,0|1,0,1]=3 37 B5R0.5 C[C@H](N)C(=O)O BIO-434 [1,0,0,0,0,0|1,0,1]=3 38 B5R0.5 C[C@H](N)C(=O)O BIO-440 [1,0,0,0,0,0|1,0,1]=3 39 B5R0.5 C[C@H](N)C(N)=O 04-120 [1,0,0,0,0,0|2,0,1]=4 40 B5R0.5 C[C@H](N)C(N)=O 04-121 [1,0,0,0,0,0|2,0,1]=4 41 B5R0.5 C[C@H](O)C(=O)O BIO-636 [1,0,0,0,0,0|0,0,2]=3 42 B5R0.5 O=C(O)C(=O)O 15-0200 [1,0,0,0,0,0|0,0,0]=1 43 B5R0.5 O=C(O)[C@@H](F)Cl 27-077 [1,0,0,0,0,0|2,0,1]=4 44 B7R0.5 CCC[C@H](C)C(=O)O CS-800 [0,1,0,0,0,0|2,0,1]=4 45 B7R0.5 CCC[C@H](N)C(=O)O 021880 [0,1,0,0,0,0|2,0,1]=4 46 B7R0.5 CCC[C@H](N)C(=O)O 04-2202 [0,1,0,0,0,0|2,0,1]=4 47 B7R0.5 CSC[C@H](N)C(=O)O 025849 [0,1,0,0,0,0|1,1,1]=4 48 B7R0.5 N#CC[C@H](N)C(=O)O 04-112 [0,1,0,0,0,0|2,0,1]=4 49 B7R0.5 N[C@@H](CCS)C(=O)O BIO-615 [0,1,0,0,0,0|1,1,1]=4 50 B7R0.10 COC(=O)C(=O)CBr 08-1105 [0,1,0,0,0,0|1,0,0]=2 51 B7R0.10 COC(=O)C(=O)OC 25-0200 [0,1,0,0,0,0|2,0,0]=3 52 B7R0.10 COC(=O)[C@@H](N)CCl 04-1036 [0,1,0,0,0,0|2,0,1]=4 53 B7R0.10 COC(=O)[C@@H](N)CO 04-2444 [0,1,0,0,0,0|1,0,1]=3 54 B7R0.10 COC(=O)[C@@H](N)CO 25-081 [0,1,0,0,0,0|1,0,1]=3 55 B7R0.15 CN[C@@H](CO)C(=O)O 22-409 [0,1,0,0,0,0|1,0,1]=3 56 B7R0.16 CC(C)[C@H](N)C(=O)O 04-2664 [0,1,0,0,0,0|2,0,1]=4 57 B7R0.16 CC(C)[C@H](N)C(=O)O BIO-433 [0,1,0,0,0,0|2,0,1]=4 58 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O 022308 [0,1,0,0,0,0|1,0,1]=3 59 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O 023234 [0,1,0,0,0,0|1,0,1]=3 60 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O 025644 [0,1,0,0,0,0|1,0,1]=3 61 B7R0.16 C[C@@H](O)[C@H](N)C(N)=O 04-2498 [0,1,0,0,0,0|2,0,1]=4 62 B7R0.16 C[C@H](O)[C@H](N)C(=O)O BIO-965 [0,1,0,0,0,0|1,0,1]=3 63 B7R1.4 N[C@H]1CONC1=O BIO-126 [0,0,0,1,0,0|2,0,1]=4 64 B7R1.4 O=C1CCC=C1Br 08-1640 [0,0,0,1,0,0|3,0,0]=4 65 B7R1.15 O=C1C=C(O)C1=O BIO-872 [0,0,0,1,0,0|1,0,1]=3 66 B7R1.18 O=C(O)C1CNC1 08-4541 [0,0,0,1,0,0|2,0,1]=4 67 B7R1.18 O=C(O)[C@@H]1CCN1 024375 [0,0,0,1,0,0|2,0,1]=4 68 B7R1.18 O=C(O)[C@@H]1CCN1 024439 [0,0,0,1,0,0|2,0,1]=4 69 B7R1.18 O=C(O)[C@@H]1CCN1 024974S [0,0,0,1,0,0|2,0,1]=4 70 B7R1.18 O=C(O)[C@@H]1CCN1 04-395 [0,0,0,1,0,0|2,0,1]=4 71 B7R1.18 O=C(O)[C@@H]1CCO1 08-8067 [0,0,0,1,0,0|1,0,2]=4 72 B7R1.19 CC1(C(=O)O)CC1 08-10054 [0,0,0,1,0,0|2,0,1]=4 73 B7R1.19 NC1(C(=O)O)CC1 04-264 [0,0,0,1,0,0|2,0,1]=4 74 B7R0.2 CC[C@H](C)CC(=O)O CS-801 [0,0,0,0,0,1|2,0,1]=4 75 B7R0.2 CC[C@H](O)CC(=O)O 14-0503 [0,0,0,0,0,1|1,0,2]=4 76 B7R0.2 NC[C@@H](O)CC(=O)O 04-273 [0,0,0,0,0,1|1,0,2]=4 77 B4R0.1 CC(=O)CF 26-862 [2,0,0,0,0,0|1,0,1]=4 78 B4R0.1 CC(=O)NO BIO-467 [2,0,0,0,0,0|1,0,0]=3 79 B4R0.1 CC(C)=CBr 08-1738 [2,0,0,0,0,0|2,0,0]=4 80 B4R0.1 CC(C)C=O CS-446 [2,0,0,0,0,0|1,0,1]=4 81 B4R0.1 CCC(=O)O 10-0300 [2,0,0,0,0,0|0,0,1]=3 82 B4R0.1 COC(C)=O 20-0200 [2,0,0,0,0,0|2,0,0]=4 83 B4R0.1 NC(=O)CBr CS-113 [2,0,0,0,0,0|2,0,0]=4 84 B4R0.1 NC(=O)NO BIO-216 [2,0,0,0,0,0|2,0,0]=4 85 B4R0.1 NCC(=O)O BIO-131 [2,0,0,0,0,0|1,0,0]=3 86 B4R0.1 NCC(N)=O 06-036 [2,0,0,0,0,0|2,0,0]=4 87 B4R0.1 O=C(O)CI CS-620 [2,0,0,0,0,0|1,0,0]=3 88 B4R0.1 O=C(O)CO 026169 [2,0,0,0,0,0|0,0,0]=2 89 B6R0.1 CCCC(=O)OC 20-0400 [1,1,0,0,0,0|1,0,1]=4 90 B6R0.1 CCNC(=O)CO 08-10467 [1,1,0,0,0,0|2,0,0]=4 91 B6R0.1 COC(=O)\C=C/Br 08-1758 [1,1,0,0,0,0|1,0,1]=4 92 B6R0.1 COC(=O)\C=C/I 08-3227 [1,1,0,0,0,0|1,0,1]=4 93 B6R0.2 CC(C)CC(=O)O 022864S [1,1,0,0,0,0|1,0,1]=4 94 B6R0.2 C[C@H](O)CC(=O)O 021350 [1,1,0,0,0,0|0,0,1]=3 95 B6R0.2 O=C(O)CC(=O)O 15-0300 [1,1,0,0,0,0|0,0,2]=4 96 B6R0.4 CCCCC(=O)O 025124 [1,1,0,0,0,0|1,0,1]=4 97 B6R0.4 CCCCC(=O)O 71-0509 [1,1,0,0,0,0|1,0,1]=4 98 B6R0.4 NCCCC(=O)O 020706 [1,1,0,0,0,0|1,0,1]=4 99 B6R0.4 NCCCC(=O)O 06-1637 [1,1,0,0,0,0|1,0,1]=4 100 B6R0.7 CC(C)(F)C(=O)O 26-4711 [1,1,0,0,0,0|1,0,1]=4 101 B6R0.7 CC(C)(N)C(=O)O 04-276 [1,1,0,0,0,0|1,0,1]=4 102 B6R0.7 CC(C)(O)C(=O)O 04-1798 [1,1,0,0,0,0|0,0,2]=4 103 B8R0.19 COC(=O)CC(=O)OC 25-0300 [0,1,0,0,0,1|2,0,0]=4 104 B8R0.23 CC(=O)CC(=O)C(F)F 26-4708 [0,1,0,0,0,1|2,0,0]=4 105 B8R0.23 O=C(O)CC(=O)C(=O)O BIO-923 [0,1,0,0,0,1|0,0,1]=3 106 B8R0.3 C=C(CBr)C(=O)OCC 08-10346 [0,2,0,0,0,0|2,0,0]=4 107 B8R0.3 CCOC(=O)C(=O)CBr 08-1104 [0,2,0,0,0,0|1,0,0]=3 108 B8R0.3 CCOC(=O)[C@@H](N)CO 04-2440 [0,2,0,0,0,0|1,0,1]=4 109 B8R0.3 CCOC(=O)[C@@H](N)CO 22-408 [0,2,0,0,0,0|1,0,1]=4 110 B8R0.3 CCOC(=O)\C(Cl)=N\O 08-2123 [0,2,0,0,0,0|2,0,0]=4 111 B8R0.27 C=C(C(=O)O)C(F)(F)F 09-2549 [0,2,0,0,0,0|2,0,0]=4 112 B8R0.27 NC(=O)C(=O)C(F)(F)F 27-312 [0,2,0,0,0,0|2,0,0]=4 113 B6R1.2 O=C1C=CCO1 08-3977 [1,0,0,1,0,0|1,0,1]=4 114 B6R1.2 O=C1CCOC1 08-5730 [1,0,0,1,0,0|1,0,1]=4 115 B6R1.4 C[C@H]1COC1=O 08-7564 [1,0,0,1,0,0|1,0,1]=4 116 B8R1.4 O=C1CCNC(=O)C1 08-7934 [0,0,0,1,0,1|2,0,0]=4 117 B8R1.4 O=C1COCC(=O)C1 08-7935 [0,0,0,1,0,1|1,0,0]=3 118 B8R1.4 O=C1COCC(=O)O1 19-1401 [0,0,0,1,0,1|1,0,0]=3 119 B8R1.18 C[C@@H]1NC(=O)OC1=O 19-1463 [0,0,0,1,0,1|2,0,0]=4 120 B8R1.7 O=C(O)C1=COC=N1 08-3733 [0,1,0,1,0,0|1,0,1]=4 121 B8R1.7 O=C(O)C1=COCC1 08-7224 [0,1,0,1,0,0|1,0,0]=3 122 B8R1.7 O=C(O)[C@H]1CCOC1 08-5648 [0,1,0,1,0,0|1,0,1]=4 123 B8R1.78 CC1(C(=O)O)COC1 08-5510 [0,1,0,1,0,0|1,0,1]=4 124 B8R1.78 NC1(C(=O)O)COC1 08-3835 [0,1,0,1,0,0|1,0,1]=4 125 B8R1.25 O=C1C(=O)C(O)=C1O 08-2071 [0,1,0,1,0,0|0,0,1]=3 126 B8R1.50 O=C1CCC(=O)N1O 04-1830 [0,1,0,1,0,0|2,0,0]=4 127 B8R1.50 O=C1OCC(Br)=C1Br 08-1053 [0,1,0,1,0,0|2,0,0]=4 128 B8R0.9 CCC(=O)NCC(=O)O 41-0303 [0,0,0,0,0,2|1,0,0]=3 129 B8R0.9 COC(=O)NCC(=O)O 04-2147 [0,0,0,0,0,2|2,0,0]=4 130 B8R0.9 NCC(=O)NCC(=O)O 04-1104 [0,0,0,0,0,2|1,0,0]=3 131 B8R0.9 O=C(O)CNC(=O)CCl 04-1014 [0,0,0,0,0,2|1,0,0]=3 132 B8R0.9 O=C(O)CNC(=O)CO 19-1559 [0,0,0,0,0,2|0,0,0]=2