0 B7R1.4 N[C@H]1CCSC1=O BIO-831 [0,0,0,0,0,0|3,0,0]=3 1 B7R1.4 N[C@H]1CONC1=O BIO-126 [0,0,0,0,0,0|4,0,0]=4 2 B7R1.4 O=C1CCC=C1Br 08-1640 [0,0,0,0,0,0|2,0,1]=3 3 B7R1.4 O=C1NCC[C@@H]1Br 08-10050 [0,0,0,0,0,0|3,0,0]=3 4 B7R1.4 O=C1NCC[C@H]1O 08-10451 [0,0,0,0,0,0|3,0,0]=3 5 B7R1.4 O[C@H]1CCC=C1Br 08-10582 [0,0,0,0,0,0|3,0,1]=4 6 B6R1.2 Br[C@H]1CCOC1 08-4941 [1,0,0,0,0,0|1,1,1]=4 7 B6R1.2 C[C@H]1CCCN1 04-2368 [1,0,0,0,0,0|1,0,1]=3 8 B6R1.2 F[C@H]1CCNC1 023811 [1,0,0,0,0,0|2,0,1]=4 9 B6R1.2 F[C@H]1CCNC1 025083 [1,0,0,0,0,0|2,0,1]=4 10 B6R1.2 F[C@H]1CCNC1 08-5242 [1,0,0,0,0,0|2,0,1]=4 11 B6R1.2 I[C@H]1CCOC1 08-5328 [1,0,0,0,0,0|1,1,1]=4 12 B6R1.2 N[C@H]1CCOC1 025406S [1,0,0,0,0,0|1,1,1]=4 13 B6R1.2 N[C@H]1CCOC1 08-6170 [1,0,0,0,0,0|1,1,1]=4 14 B6R1.2 O=C1C=CCO1 08-3977 [1,0,0,0,0,0|2,0,1]=4 15 B6R1.2 O=C1C=CSN1 08-6056 [1,0,0,0,0,0|1,0,2]=4 16 B6R1.2 O=C1CCNC1 08-5561 [1,0,0,0,0,0|1,0,0]=2 17 B6R1.2 O=C1CCOC1 08-5730 [1,0,0,0,0,0|0,1,0]=2 18 B6R1.2 O[C@H]1CCNC1 021873 [1,0,0,0,0,0|1,0,2]=4 19 B6R1.2 O[C@H]1CCNC1 025212S [1,0,0,0,0,0|1,0,2]=4 20 B6R1.2 O[C@H]1CCNC1 025430 [1,0,0,0,0,0|1,0,2]=4 21 B6R1.2 O[C@H]1CCNC1 08-5290 [1,0,0,0,0,0|1,0,2]=4 22 B6R1.2 O[C@H]1CCOC1 025772 [1,0,0,0,0,0|0,1,2]=4 23 B6R1.2 O[C@H]1CCOC1 08-5304 [1,0,0,0,0,0|0,1,2]=4 24 B8R1.11 CN1CCC[C@@H]1CN 020403 [0,1,0,0,0,0|3,0,0]=4 25 B8R1.11 CN1CCC[C@@H]1CN 08-5387 [0,1,0,0,0,0|3,0,0]=4 26 B8R1.18 C[C@@H]1NC(=O)OC1=O 19-1463 [0,1,0,0,0,0|2,0,1]=4 27 B8R1.50 O=C1CCC(=O)N1O 04-1830 [0,1,0,0,0,0|3,0,0]=4 28 B6R0.1 CCCC(=O)OC 20-0400 [0,0,1,0,0,0|2,0,0]=3 29 B6R0.1 CCC[C@@H](O)CC 40-0600 [0,0,1,0,0,0|1,0,2]=4 30 B6R0.1 CCNC(=O)CO 08-10467 [0,0,1,0,0,0|3,0,0]=4 31 B6R0.1 CCOC(=O)CF 26-792 [0,0,1,0,0,0|3,0,0]=4 32 B6R0.1 CCOC(=O)CN 04-1586 [0,0,1,0,0,0|3,0,0]=4 33 B6R0.1 CNCC(=O)OC 04-2425 [0,0,1,0,0,0|3,0,0]=4 34 B6R0.3 CC(C)C(=O)NN 08-5319 [0,0,1,0,0,0|3,0,0]=4 35 B6R0.3 CCC(=O)C(=O)O BIO-852 [0,0,1,0,0,0|1,1,1]=4 36 B6R0.3 CC[C@H](N)C(=O)O 04-246 [0,0,1,0,0,0|3,0,0]=4 37 B6R0.3 CC[C@H](N)C(=O)O 04-247 [0,0,1,0,0,0|3,0,0]=4 38 B6R0.3 CNC(=O)[C@@H](F)Cl 27-190 [0,0,1,0,0,0|3,0,0]=4 39 B6R0.3 CNC(=O)[C@@H](F)I 27-192 [0,0,1,0,0,0|3,0,0]=4 40 B6R0.3 CN[C@@H](C)C(=O)O 04-2116 [0,0,1,0,0,0|2,0,0]=3 41 B6R0.3 COC(=O)C(F)F 09-1640 [0,0,1,0,0,0|3,0,0]=4 42 B6R0.3 COC(=O)[C@H](C)N 024047 [0,0,1,0,0,0|2,0,0]=3 43 B6R0.3 COC(=O)[C@H](C)N 04-140 [0,0,1,0,0,0|2,0,0]=3 44 B6R0.3 C\C=C(/C)C(=O)O 020772 [0,0,1,0,0,0|2,0,1]=4 45 B6R0.3 C\C=C(\C)C(=O)O 06-231 [0,0,1,0,0,0|2,0,1]=4 46 B6R0.6 CCCCCC=O 023326S [0,0,1,0,0,0|1,0,0]=2 47 B6R0.6 CCCCCCC 05-0700 [0,0,1,0,0,0|2,0,1]=4 48 B6R0.6 CCCCCCF 26-926 [0,0,1,0,0,0|2,0,1]=4 49 B6R1.4 C[C@H]1COC1=O 08-7564 [0,0,0,0,1,0|1,0,0]=2 50 B8R1.4 C[C@H]1CC(=O)CCN1 08-7732 [0,0,0,0,0,1|1,0,0]=2 51 B8R1.4 C[C@H]1C[C@@H](O)CCN1 08-7714 [0,0,0,0,0,1|1,0,2]=4 52 B8R1.4 C[C@H]1C[C@@H](O)CCN1 26-1164 [0,0,0,0,0,1|1,0,2]=4 53 B8R1.4 NC1=CC(=O)CCC1 08-9979 [0,0,0,0,0,1|2,0,1]=4 54 B8R1.4 N[C@H]1CCNC(=O)C1 08-4549 [0,0,0,0,0,1|3,0,0]=4 55 B8R1.4 O=C1CCNC(=O)C1 08-7934 [0,0,0,0,0,1|2,0,1]=4 56 B8R1.5 CN1CCNCC1=O 08-7559 [0,0,0,0,0,1|2,0,0]=3 57 B8R1.5 O=C1CCCC=C1Br 08-1639 [0,0,0,0,0,1|2,0,1]=4 58 B8R1.5 O=C1CCOC[C@@H]1Br 08-6716 [0,0,0,0,0,1|1,1,0]=3 59 B8R1.5 O=C1CCOC[C@@H]1F 08-3979 [0,0,0,0,0,1|1,1,0]=3 60 B5R0.1 C=C(C)OCC 08-3147 [1,0,1,0,0,0|0,1,1]=4 61 B5R0.1 CCCC(=O)O 10-0400 [1,0,1,0,0,0|2,0,0]=4 62 B5R0.1 CNCC(=O)O 04-2418 [1,0,1,0,0,0|2,0,0]=4 63 B5R0.1 CNCC(=O)O BIO-957 [1,0,1,0,0,0|2,0,0]=4 64 B5R0.1 CNCC(N)=O 04-2420 [1,0,1,0,0,0|2,0,0]=4 65 B5R0.1 NCCC(=O)O 025502 [1,0,1,0,0,0|2,0,0]=4 66 B5R0.1 O=C(O)CCCl CS-222 [1,0,1,0,0,0|2,0,0]=4 67 B5R0.2 CCCCCC 05-0600 [1,0,1,0,0,0|1,0,1]=4 68 B5R0.2 CCCCCF 26-1004 [1,0,1,0,0,0|1,0,1]=4 69 B5R0.2 CCCCCO 40-0500 [1,0,1,0,0,0|0,0,2]=4 70 B5R0.3 CCC(=O)OC 20-0300 [1,0,1,0,0,0|1,0,0]=3 71 B5R0.3 CC[C@H](C)CO 025049S [1,0,1,0,0,0|0,0,2]=4 72 B5R0.3 CC[C@H](C)NN 08-9272 [1,0,1,0,0,0|2,0,0]=4 73 B5R0.3 COC(=O)CN 04-1589 [1,0,1,0,0,0|2,0,0]=4 74 B5R0.3 O=C(CCl)CCl 08-2018 [1,0,1,0,0,0|2,0,0]=4 75 B5R0.3 O=C[C@@H](O)CO BIO-609 [1,0,1,0,0,0|2,0,0]=4 76 B5R0.3 O=C[C@@H](O)CO BIO-610 [1,0,1,0,0,0|2,0,0]=4 77 B5R0.5 CC(=O)C(F)F 27-108 [1,0,1,0,0,0|2,0,0]=4 78 B5R0.5 CC(=O)[C@H](C)F 26-3573 [1,0,1,0,0,0|1,0,0]=3 79 B5R0.5 CC(C)C(N)=O 08-2289 [1,0,1,0,0,0|1,0,0]=3 80 B5R0.5 CC(C)C(N)=S 08-2423 [1,0,1,0,0,0|1,1,0]=4 81 B5R0.5 C[C@H](Cl)C(=O)Cl CS-223 [1,0,1,0,0,0|2,0,0]=4 82 B5R0.5 C[C@H](N)C(=O)O 04-113 [1,0,1,0,0,0|2,0,0]=4 83 B5R0.5 C[C@H](N)C(=O)O BIO-434 [1,0,1,0,0,0|2,0,0]=4 84 B5R0.5 C[C@H](N)C(=O)O BIO-440 [1,0,1,0,0,0|2,0,0]=4 85 B5R0.5 C[C@H](N)C(N)=O 04-120 [1,0,1,0,0,0|2,0,0]=4 86 B5R0.5 C[C@H](N)C(N)=O 04-121 [1,0,1,0,0,0|2,0,0]=4 87 B5R0.5 C[C@H](O)C(=O)O BIO-636 [1,0,1,0,0,0|1,1,0]=4 88 B7R0.3 CCCCC(=O)OC 20-0500 [0,1,1,0,0,0|2,0,0]=4 89 B7R0.3 COC(=O)CCCBr CS-741 [0,1,1,0,0,0|2,0,0]=4 90 B7R0.5 CCC[C@H](C)C(=O)O CS-800 [0,1,1,0,0,0|1,0,0]=3 91 B7R0.5 CCC[C@H](N)C(=O)O 021880 [0,1,1,0,0,0|2,0,0]=4 92 B7R0.5 CCC[C@H](N)C(=O)O 04-2202 [0,1,1,0,0,0|2,0,0]=4 93 B7R0.5 CCC[C@H](N)C(N)=O 04-2207 [0,1,1,0,0,0|2,0,0]=4 94 B7R0.5 CCOC(=O)[C@H](C)F 26-799 [0,1,1,0,0,0|2,0,0]=4 95 B7R0.5 CCOC(=O)[C@H](C)N 04-132 [0,1,1,0,0,0|2,0,0]=4 96 B7R0.7 CCCC(=O)OCC 023317S [0,1,1,0,0,0|1,0,0]=3 97 B7R0.7 CCOC(=O)CCN 04-130 [0,1,1,0,0,0|1,0,0]=3 98 B7R0.7 CCOC(=O)CNC 04-2424 [0,1,1,0,0,0|2,0,0]=4 99 B7R0.10 COC(=O)[C@@H](N)CCl 04-1036 [0,1,1,0,0,0|2,0,0]=4 100 B7R0.10 COC(=O)[C@@H](N)CO 04-2444 [0,1,1,0,0,0|1,1,0]=4 101 B7R0.10 COC(=O)[C@@H](N)CO 25-081 [0,1,1,0,0,0|1,1,0]=4 102 B7R0.14 CCC(=O)C(F)(F)F 09-1791 [0,1,1,0,0,0|2,0,0]=4 103 B7R0.15 CN[C@@H](CO)C(=O)O 22-409 [0,1,1,0,0,0|2,0,0]=4 104 B7R0.4 CCCCCC(=O)O 10-0600 [0,1,1,0,0,0|1,0,0]=3 105 B7R0.4 NCCCCC(=O)O 12-902 [0,1,1,0,0,0|2,0,0]=4 106 B7R1.1 BrCC1=CCCC1 08-6691 [1,1,0,0,0,0|1,0,1]=4 107 B7R1.1 FC[C@H]1CCCN1 08-5262 [1,1,0,0,0,0|1,0,1]=4 108 B7R1.1 NCC1CCCC1 08-3096 [1,1,0,0,0,0|1,0,1]=4 109 B7R1.1 NC[C@H]1CCCO1 08-8019 [1,1,0,0,0,0|0,1,1]=4 110 B7R1.1 OC[C@H]1CCCN1 04-1811 [1,1,0,0,0,0|1,0,1]=4 111 B7R1.1 OC[C@H]1CCCN1 04-1812 [1,1,0,0,0,0|1,0,1]=4 112 B7R1.1 OC[C@H]1CCCN1 24-1413 [1,1,0,0,0,0|1,0,1]=4 113 B7R1.2 CN1CCC(=O)C1 08-3269 [1,1,0,0,0,0|1,0,0]=3 114 B7R1.2 NC1=NC(=O)CS1 08-889 [1,1,0,0,0,0|1,0,1]=4 115 B7R1.2 O=C1CCC(=O)N1 BIO-450 [1,1,0,0,0,0|2,0,0]=4 116 B9R1.2 NC[C@H]1CCNC(=O)C1 20-1633 [0,1,0,0,0,1|2,0,0]=4 117 B9R1.2 O=C1C[C@@H](CO)CCN1 08-5731 [0,1,0,0,0,1|2,0,0]=4 118 B9R1.34 CC1CC(=O)CC(=O)C1 08-10129 [0,1,0,0,0,1|1,0,1]=4 119 B7R1.3 NC1CCSCC1 08-3331 [0,0,1,1,0,0|1,0,1]=4 120 B7R1.3 O=C1CCCNC1 08-7861 [0,0,1,1,0,0|2,0,0]=4 121 B7R1.3 O=C1CCCOC1 08-7989 [0,0,1,1,0,0|2,0,0]=4 122 B7R1.3 O=C1CCCSC1 08-7956 [0,0,1,1,0,0|2,0,0]=4 123 B7R1.3 O=C1CCNCC1 06-1702 [0,0,1,1,0,0|1,0,0]=3 124 B7R1.3 O=C1CCSCC1 08-5722 [0,0,1,1,0,0|0,0,0]=2 125 B7R1.3 O=S1CCNCC1 08-5711 [0,0,1,1,0,0|2,0,0]=4 126 B7R1.18 O=C(O)[C@@H]1CCN1 024375 [0,0,1,1,0,0|2,0,0]=4 127 B7R1.18 O=C(O)[C@@H]1CCN1 024439 [0,0,1,1,0,0|2,0,0]=4 128 B7R1.18 O=C(O)[C@@H]1CCN1 024974S [0,0,1,1,0,0|2,0,0]=4 129 B7R1.18 O=C(O)[C@@H]1CCN1 04-395 [0,0,1,1,0,0|2,0,0]=4 130 B7R1.18 O=C(O)[C@@H]1CCO1 08-8067 [0,0,1,1,0,0|1,1,0]=4 131 B7R1.19 CC1(C(=O)O)CC1 08-10054 [0,0,1,1,0,0|2,0,0]=4 132 B7R1.24 C1CNCCSC1 08-5317 [0,0,1,1,0,0|1,0,1]=4 133 B7R2.11 C1NC2CC1C2 08-9503 [1,0,0,1,0,0|1,0,1]=4 134 B9R2.39 O=C1CC2CCC1C2 025054 [0,0,0,1,0,1|1,0,0]=3 135 B9R2.39 O=C1N[C@@H]2C=C[C@H]1C2 08-4632 [0,0,0,1,0,1|1,0,1]=4 136 B5R1.2 CC1CNC1 08-5492 [1,0,0,0,1,0|1,0,1]=4 137 B5R1.2 NC1CSC1 08-5714 [1,0,0,0,1,0|1,0,1]=4 138 B5R1.2 O=C1CNC1 08-4650 [1,0,0,0,1,0|1,0,0]=3 139 B5R1.2 O=C1COC1 08-2476 [1,0,0,0,1,0|0,1,0]=3 140 B5R1.2 O=C1CSC1 08-4092 [1,0,0,0,1,0|0,0,0]=2 141 B9R1.48 C[C@H]1CC(=O)NCCN1 08-7452 [0,0,0,0,0,2|1,0,0]=3 142 B9R1.5 CN1CCCNCC1=O 08-5477 [0,0,0,0,0,2|2,0,0]=4