0 B14R1.163 CC(CN[C@@H](C)CO)c1ccccc1 AIFCHEM-6463425352 [1,0,0,0,0,0|1,0,0]=2 1 B14R1.163 CC(CN[C@H](C)CO)c1ccccc1 AIFCHEM-6395696228 [1,0,0,0,0,0|1,0,0]=2 2 B14R1.163 CC(CO)NCC(C)c1ccccc1 AIFCHEM-6411269294 [1,0,0,0,0,0|1,0,0]=2 3 B14R1.292 CC(C)(CO)CNCc1ccccc1 AIFCHEM-94554632812 [1,0,0,0,0,0|2,0,0]=3 4 B16R1.335 CC(NCC(C)(C)CO)c1ccc(cc1)Cl AIFCHEM-94524372155 [0,1,0,0,0,0|3,0,0]=4 5 B16R1.335 C[C@@H](NCC(C)(C)CO)c1ccc(cc1)Cl AIFCHEM-94600891462 [0,1,0,0,0,0|3,0,0]=4 6 B16R1.335 C[C@H](NCC(C)(C)CO)c1ccc(cc1)Cl AIFCHEM-5854716953 [0,1,0,0,0,0|3,0,0]=4 7 B16R1.336 CC(NCC(C)(C)CO)c1cccc(c1)F AIFCHEM-6158810311 [0,1,0,0,0,0|3,0,0]=4 8 B16R1.336 C[C@@H](NCC(C)(C)CO)c1cccc(c1)F AIFCHEM-94566041553 [0,1,0,0,0,0|3,0,0]=4 9 B16R1.347 C#CC(C)(C)NC(=O)C(O)c1ccccc1 AIFCHEM-94600615647 [0,1,0,0,0,0|1,0,2]=4 10 B16R1.347 C#CC(C)(C)NC(=O)[C@@H](O)c1ccccc1 AIFCHEM-94600609516 [0,1,0,0,0,0|1,0,2]=4 11 B16R1.347 C#CC(C)(C)NC(=O)[C@H](O)c1ccccc1 AIFCHEM-94600613843 [0,1,0,0,0,0|1,0,2]=4 12 B16R1.3098 CC(CNC(C)(CO)CO)c1ccccc1 AIFCHEM-6456422095 [0,1,0,0,0,0|1,0,0]=2 13 B16R1.10308 CC(C)(CO)CNC(C)(C)c1ccccc1 AIFCHEM-5930568946 [0,1,0,0,0,0|3,0,0]=4 14 B16R1.10467 CC(NCC(C)(C)CO)c1ccccc1O AIFCHEM-94603817884 [0,1,0,0,0,0|3,0,0]=4 15 B16R1.10467 C[C@H](NCC(C)(C)CO)c1ccccc1O AIFCHEM-94543552864 [0,1,0,0,0,0|3,0,0]=4 16 B16R1.13675 CC(CNC(C)(C)CCO)c1ccccc1 AIFCHEM-6444382200 [0,1,0,0,0,0|1,0,0]=2 17 B16R1.14311 CC(C)(CO)CNC(C#N)c1ccccc1 AIFCHEM-94525722558 [0,1,0,0,0,0|3,0,0]=4 18 B16R1.14311 CC(C)(CO)CNC(CO)c1ccncc1 AIFCHEM-6471241195 [0,1,0,0,0,0|3,0,0]=4 19 B16R1.14311 CC(C)(CO)CN[C@H](CO)c1ccncc1 AIFCHEM-6419552541 [0,1,0,0,0,0|3,0,0]=4 20 B16R1.14311 CCC(CNC(C)(C)CO)c1ccccc1 AIFCHEM-94576813268 [0,1,0,0,0,0|1,0,0]=2 21 B14R1.290 CC(NC(C)(C)CO)c1ccccc1 AIFCHEM-94560522017 [0,0,0,0,1,0|1,0,0]=2 22 B15R1.89 COCC(C)NCC(C)c1ccccc1 AIFCHEM-6054781371 [1,1,0,0,0,0|1,0,0]=3 23 B15R1.89 COC[C@@H](C)NCC(C)c1ccccc1 AIFCHEM-5748615556 [1,1,0,0,0,0|1,0,0]=3 24 B15R1.89 COC[C@H](C)NCC(C)c1ccccc1 AIFCHEM-5619803852 [1,1,0,0,0,0|1,0,0]=3 25 B15R1.500 CC(CNC(C)C(C)C)c1ccccc1 AIFCHEM-6214178603 [1,1,0,0,0,0|2,0,0]=4 26 B15R1.500 CC(CN[C@@H](C)C(=O)O)c1ccccc1 AIFCHEM-94576655185 [1,1,0,0,0,0|1,0,1]=4 27 B15R1.500 CC(CN[C@H](C)C(=O)O)c1ccccc1 AIFCHEM-5953447800 [1,1,0,0,0,0|1,0,1]=4 28 B15R1.500 CC(CN[C@H](C)C(C)C)c1ccccc1 AIFCHEM-94576823607 [1,1,0,0,0,0|2,0,0]=4 29 B15R1.500 CC(NCC(C)c1ccccc1)C(=O)O AIFCHEM-5965129521 [1,1,0,0,0,0|1,0,1]=4 30 B15R1.950 CC(CF)NC(=O)C(O)c1ccccc1 AIFCHEM-6113526089 [1,1,0,0,0,0|1,0,1]=4 31 B15R1.950 C[C@@H](CF)NC(=O)C(O)c1ccccc1 AIFCHEM-6055712223 [1,1,0,0,0,0|1,0,1]=4 32 B15R1.1097 CC(CO)CNC(CO)c1ccccc1 AIFCHEM-94540294951 [1,1,0,0,0,0|2,0,0]=4 33 B15R1.1097 C[C@@H](CF)NCC(C#N)c1ccccc1 AIFCHEM-6011654784 [1,1,0,0,0,0|2,0,0]=4 34 B15R1.1097 C[C@@H](CO)NCC(C#N)c1ccccc1 AIFCHEM-6463538193 [1,1,0,0,0,0|1,0,0]=3 35 B15R1.1097 C[C@H](CO)NCC(C#N)c1ccccc1 AIFCHEM-6452536234 [1,1,0,0,0,0|1,0,0]=3 36 B15R1.8 CC(C)(C#N)NCCc1ccc(cc1)Br AIFCHEM-6491878232 [1,1,0,0,0,0|1,0,1]=4 37 B15R1.8 CC(C)(CO)NCCc1ccc(cc1)Cl AIFCHEM-94576814401 [1,1,0,0,0,0|0,0,0]=2 38 B15R1.8 CCC(C)(C)NCCc1ccc(cc1)C AIFCHEM-5607786876 [1,1,0,0,0,0|1,0,0]=3 39 B15R1.301 CC(C)(CO)CNCc1cccc(c1)I AIFCHEM-5927975826 [1,1,0,0,0,0|2,0,0]=4 40 B15R1.7696 CC(C)(CO)CNCc1ccccc1O AIFCHEM-5745057527 [1,1,0,0,0,0|2,0,0]=4 41 B15R1.299 CN(CC(C)(C)CO)c1ccc(cc1)I AIFCHEM-94568454132 [0,1,0,0,1,0|2,0,0]=4 42 B15R1.300 CC(NC(C)(C)CO)c1cc(ccn1)Cl AIFCHEM-94576815301 [0,1,0,0,1,0|2,0,0]=4 43 B15R1.300 CC(NC(C)(C)CO)c1cccc(n1)F AIFCHEM-94576814656 [0,1,0,0,1,0|2,0,0]=4 44 B15R1.300 CC(NC(C)(C)CO)c1cncc(c1)Br AIFCHEM-94576814181 [0,1,0,0,1,0|2,0,0]=4 45 B15R1.300 Cc1cccc(c1)C(C)NC(C)(C)CO AIFCHEM-94576815206 [0,1,0,0,1,0|1,0,0]=3 46 B15R1.7724 Cc1ccccc1N(C)CC(C)(C)CO AIFCHEM-94586630424 [0,1,0,0,1,0|2,0,0]=4 47 B17R1.13064 CCC(C)(C)NC(=O)CC(C)c1ccccc1 AIFCHEM-5615793829 [0,1,0,0,0,1|2,0,0]=4 48 B17R1.13064 CCC(C)(C)NC(=O)CC(O)c1ccccc1 AIFCHEM-5657631930 [0,1,0,0,0,1|1,0,0]=3 49 B17R1.13064 CCC(C)(C)NC(=O)C[C@@H](C)c1ccccc1 AIFCHEM-5671624061 [0,1,0,0,0,1|2,0,0]=4 50 B17R1.13064 CCC(C)(C)NC(=O)C[C@H](C)c1ccccc1 AIFCHEM-94574434424 [0,1,0,0,0,1|2,0,0]=4 51 B17R1.16182 CC(CNCC(C)(C)C(=O)O)c1ccccc1 AIFCHEM-94545257387 [0,1,0,0,0,1|1,0,1]=4 52 B17R1.19718 Cc1ccc(cc1)C(CO)NCC(C)(C)CO AIFCHEM-6434274130 [0,2,0,0,0,0|2,0,0]=4 53 B17R1.19718 Cc1ccc(cc1)[C@@H](CO)NCC(C)(C)CO AIFCHEM-6478364750 [0,2,0,0,0,0|2,0,0]=4 54 B17R1.19718 Cc1ccc(cc1)[C@H](CO)NCC(C)(C)CO AIFCHEM-6491470104 [0,2,0,0,0,0|2,0,0]=4 55 B17R1.4227 COCC(C)(C)NC(=O)C(C)c1ccccc1 AIFCHEM-94586746966 [0,2,0,0,0,0|1,0,1]=4 56 B17R1.4227 COCC(C)(C)NC(=O)[C@@H](C)c1ccccc1 AIFCHEM-94586748909 [0,2,0,0,0,0|1,0,1]=4 57 B17R1.4227 COCC(C)(C)NC(=O)[C@H](C)c1ccccc1 AIFCHEM-94586748910 [0,2,0,0,0,0|1,0,1]=4 58 B17R1.183790 CCC(C)(C)NC(=O)C(CO)c1ccccc1 AIFCHEM-94587826337 [0,2,0,0,0,0|1,0,1]=4 59 B17R1.183790 CCC(C)(C)NC(=O)[C@@H](CO)c1ccccc1 AIFCHEM-5656689197 [0,2,0,0,0,0|1,0,1]=4 60 B17R1.19554 CCC(CO)(CO)NCC(C)c1ccccc1 AIFCHEM-6509576961 [0,2,0,0,0,0|1,0,0]=3 61 B17R1.41318 CCC(CNC(C)(CO)CO)c1ccccc1 AIFCHEM-6400270345 [0,2,0,0,0,0|1,0,0]=3 62 B17R1.47671 CC(CN[C@@](C)(CO)C(=O)O)c1ccccc1 AIFCHEM-6430425076 [0,2,0,0,0,0|1,0,1]=4 63 B17R1.47671 CC(CN[C@](C)(CO)C(=O)O)c1ccccc1 AIFCHEM-6453704313 [0,2,0,0,0,0|1,0,1]=4 64 B17R1.121600 CC(C)(CO)CN[C@@H](CO)c1ccccc1F AIFCHEM-6503780478 [0,2,0,0,0,0|2,0,0]=4 65 B17R1.121600 CC(C)(CO)CN[C@H](CO)c1ccccc1F AIFCHEM-94561040812 [0,2,0,0,0,0|2,0,0]=4 66 B15R2.16456 CC1(COC1)NC(=O)c2ccccc2 AIFCHEM-94565575719 [0,0,0,1,1,0|0,0,2]=4 67 B17R2.4766 CC(C)(CO)NCc1cc2ccccc2o1 AIFCHEM-6389801854 [0,0,0,1,0,1|0,0,1]=3 68 B17R2.4766 CC(C)(CO)NCc1cc2cnccc2o1 AIFCHEM-94576810932 [0,0,0,1,0,1|1,0,1]=4 69 B17R2.4766 CC(C)(CO)NCc1nc2ccccc2s1 AIFCHEM-94576815669 [0,0,0,1,0,1|0,1,1]=4 70 B17R2.5730 CC(CN1CCSC1(C)C)c2ccccc2 AIFCHEM-5641592089 [0,1,0,1,0,0|2,0,0]=4 71 B17R2.452732 CC1(COC1)CNC(CO)c2ccccc2 AIFCHEM-6441828311 [0,1,0,1,0,0|2,0,0]=4 72 B17R2.452732 CC1(COC1)CN[C@@H](CO)c2ccccc2 AIFCHEM-6468854100 [0,1,0,1,0,0|2,0,0]=4 73 B17R2.452732 CC1(COC1)CN[C@H](CO)c2ccccc2 AIFCHEM-94566646236 [0,1,0,1,0,0|2,0,0]=4 74 B13R1.11 CC(CO)NC(C)c1cccnc1 AIFCHEM-94523871213 [1,0,0,0,1,0|2,0,0]=4 75 B13R1.11 CC(CO)NC(C)c1ccncc1 AIFCHEM-5639757445 [1,0,0,0,1,0|2,0,0]=4 76 B13R1.11 CC(CO)N[C@@H](C)c1cccnc1 AIFCHEM-94593281198 [1,0,0,0,1,0|2,0,0]=4 77 B13R1.11 CC(CO)N[C@@H](C)c1ccncc1 AIFCHEM-94567316975 [1,0,0,0,1,0|2,0,0]=4 78 B13R1.11 CC(CO)N[C@H](C)c1cccnc1 AIFCHEM-94529444783 [1,0,0,0,1,0|2,0,0]=4 79 B13R1.11 CC(CO)N[C@H](C)c1ccncc1 AIFCHEM-94598513404 [1,0,0,0,1,0|2,0,0]=4 80 B13R1.11 CC(N[C@@H](C)CO)c1cccnc1 AIFCHEM-6446510979 [1,0,0,0,1,0|2,0,0]=4 81 B13R1.11 CC(N[C@@H](C)CO)c1ccncc1 AIFCHEM-6438563531 [1,0,0,0,1,0|2,0,0]=4 82 B13R1.11 CC(N[C@H](C)CO)c1cccnc1 AIFCHEM-6394434017 [1,0,0,0,1,0|2,0,0]=4 83 B13R1.11 CC(N[C@H](C)CO)c1ccncc1 AIFCHEM-6394773356 [1,0,0,0,1,0|2,0,0]=4 84 B13R1.254 CC(C)(CO)CNc1ccccn1 AIFCHEM-94586360927 [1,0,0,0,1,0|2,0,0]=4 85 B13R1.254 CC(C)(CO)NCc1cnccn1 AIFCHEM-6411498347 [1,0,0,0,1,0|2,0,0]=4 86 B15R1.315 CC(C)(CO)NCCCc1ccccc1 AIFCHEM-6481571077 [1,0,0,0,0,1|0,0,0]=2 87 B15R1.315 CCC(C)(C)NCCCc1ccccc1 AIFCHEM-5656065572 [1,0,0,0,0,1|1,0,0]=3 88 B15R1.9094 CC(CNCC(C)(C)O)c1ccccc1 AIFCHEM-6422321256 [1,0,0,0,0,1|1,0,0]=3 89 B15R1.9094 CC(NCCC(C)(C)C)c1ccccc1 AIFCHEM-94560528275 [1,0,0,0,0,1|2,0,0]=4