0 B9R0.53 CC(=CC(=O)C=C(C)C)C PI-49459 [0,0,0,0,0,0|0,0,4]=4 1 B9R0.53 CC(C)OC(=O)\C=C(\C)/N PI-11272 [0,0,0,0,0,0|2,0,2]=4 2 B9R0.53 CC(CN(C)CC(C)O)O PI-50687 [0,0,0,0,0,0|4,0,0]=4 3 B8R0.5 CC(Br)CC(OCC)=O PI-40060 [1,0,0,0,0,0|2,0,0]=3 4 B8R0.5 CC(C)OC(=O)CC#N PI-32783 [1,0,0,0,0,0|2,0,1]=4 5 B8R0.5 CCOC(=O)CC(C)O PI-12942 [1,0,0,0,0,0|2,0,0]=3 6 B8R0.5 CCOC(=O)CN(C)C PI-15686 [1,0,0,0,0,0|2,0,0]=3 7 B8R0.5 CCOC(=O)OC(C)Cl PI-13414 [1,0,0,0,0,0|3,0,0]=4 8 B8R0.5 C[C@H](O)CC(OCC)=O PI-37307 [1,0,0,0,0,0|2,0,0]=3 9 B8R0.5 ClCOC(=O)OC(C)C PI-24348 [1,0,0,0,0,0|3,0,0]=4 10 B8R0.28 CC(C)CCCC(=O)C PI-47229 [1,0,0,0,0,0|1,0,2]=4 11 B8R0.28 CC(C)N=C=NC(C)C PI-43217 [1,0,0,0,0,0|2,0,1]=4 12 B10R0.31 C[C@@H](CC(=O)OC(C)(C)C)N PI-49009 [0,1,0,0,0,0|2,0,0]=3 13 B10R0.44 CC(C)OC(=O)CC(=O)CCl PI-50170 [0,1,0,0,0,0|2,0,1]=4 14 B10R0.70 CC(C)CN(CC(C)C)C=O PI-42269 [0,1,0,0,0,0|1,0,0]=2 15 B10R1.329 CC1(CC(=CC(=O)C1)Cl)C PI-17457 [0,0,0,1,0,0|1,0,2]=4 16 B10R1.329 CC1(CC(=CC(=O)C1)N)C PI-14082 [0,0,0,1,0,0|1,0,2]=4 17 B10R1.329 CC1CC(=O)CC(C1)(C)C PI-49082 [0,0,0,1,0,0|0,0,0]=1 18 B10R1.329 CC1CC(CC(C1)(C)C)O PI-38037 [0,0,0,1,0,0|0,0,2]=3 19 B10R1.329 O=C1CC(=O)CC(C)(C)C1 PI-15341 [0,0,0,1,0,0|1,0,1]=3 20 B8R0.23 CC(=O)CC(=O)N(C)C PI-40778 [0,0,0,0,1,0|2,0,1]=4 21 B8R0.23 CC(C)CC(=O)C(=O)O PI-14719 [0,0,0,0,1,0|2,0,1]=4 22 B8R0.23 CC(C)CC(=O)C(=O)[O-] PI-13111 [0,0,0,0,1,0|2,0,1]=4 23 B8R0.23 CC(C)CC(=O)C(=O)[O-] PI-19628 [0,0,0,0,1,0|2,0,1]=4 24 B8R0.23 CC(C)OC(=O)[C@@H](C)N PI-33214 [0,0,0,0,1,0|2,0,0]=3 25 B7R0.2 CC(C)OC(=O)CO PI-35449 [2,0,0,0,0,0|2,0,0]=4 26 B7R0.2 CC(CC(=O)OC)N PI-42254 [2,0,0,0,0,0|2,0,0]=4 27 B7R0.2 CC(CC(=O)OC)O PI-42249 [2,0,0,0,0,0|2,0,0]=4 28 B7R0.2 CC(CC(=O)OC)O PI-42250 [2,0,0,0,0,0|2,0,0]=4 29 B7R0.2 COC(=O)CC(C)N PI-42155 [2,0,0,0,0,0|2,0,0]=4 30 B7R0.2 C[C@@H](N)CC(OC)=O PI-42154 [2,0,0,0,0,0|2,0,0]=4 31 B7R0.2 C[C@H](N)CC(OC)=O PI-42253 [2,0,0,0,0,0|2,0,0]=4 32 B7R0.2 O=C(OC(C)C)CN PI-46621 [2,0,0,0,0,0|2,0,0]=4 33 B7R0.4 CCCCC[C@@H](C)O PI-49829 [2,0,0,0,0,0|1,0,1]=4 34 B7R0.7 C(CCl)C(=O)CCCl PI-12892 [2,0,0,0,0,0|2,0,0]=4 35 B7R0.7 CCCC(=O)OCCl PI-36667 [2,0,0,0,0,0|2,0,0]=4 36 B7R0.7 CCCC(CCC)N PI-15988 [2,0,0,0,0,0|1,0,1]=4 37 B7R0.7 CCOC(=O)COC PI-50353 [2,0,0,0,0,0|2,0,0]=4 38 B7R0.7 CCOC(=O)CSC PI-39857 [2,0,0,0,0,0|2,0,0]=4 39 B7R0.7 CNCC(=O)OCC PI-30682 [2,0,0,0,0,0|2,0,0]=4 40 B7R0.7 NCCC(=O)OCC PI-33213 [2,0,0,0,0,0|2,0,0]=4 41 B7R0.7 OCCC(=O)OCC PI-39562 [2,0,0,0,0,0|2,0,0]=4 42 B9R0.4 CCCCC(=O)CC(=O)C PI-36799 [1,1,0,0,0,0|1,0,1]=4 43 B9R0.6 CCOC(=O)C(C(C)C)Br PI-11269 [1,1,0,0,0,0|1,0,0]=3 44 B9R0.6 CCOC(=O)C(C(C)C)N PI-31091 [1,1,0,0,0,0|1,0,0]=3 45 B9R0.6 CCOC(=O)C(C(C)O)N PI-33222 [1,1,0,0,0,0|2,0,0]=4 46 B9R0.23 CC(C)OC(=O)C(CS)N PI-33219 [1,1,0,0,0,0|2,0,0]=4 47 B9R0.34 CCCC(=O)CC(=O)OC PI-45791 [1,1,0,0,0,0|1,0,1]=4 48 B9R0.34 CCOC(=O)CC(CBr)O PI-10817 [1,1,0,0,0,0|2,0,0]=4 49 B9R0.34 CCOC(=O)CC(CCl)O PI-38020 [1,1,0,0,0,0|2,0,0]=4 50 B9R0.34 CCOC(=O)C[C@@H](O)CCl PI-11565 [1,1,0,0,0,0|2,0,0]=4 51 B9R0.34 CCOC(=O)C[C@H](O)CCl PI-11564 [1,1,0,0,0,0|2,0,0]=4 52 B9R0.44 CCOC(=O)CC(C)(C)C PI-50549 [1,1,0,0,0,0|1,0,0]=3 53 B9R0.44 CCOC(=O)CC(C)(C)N PI-45592 [1,1,0,0,0,0|1,0,0]=3 54 B9R0.44 CCOC(=O)C[Si](C)(C)C PI-35339 [1,1,0,0,0,0|1,1,0]=4 55 B9R0.44 NCCC(=O)OC(C)(C)C PI-37611 [1,1,0,0,0,0|2,0,0]=4 56 B9R0.10 CC(C)OC(=O)C(C)(C)Br PI-12721 [0,1,0,0,1,0|1,0,0]=3 57 B9R0.42 COC(=O)CC(=O)C(C)C PI-37701 [0,1,0,0,1,0|1,0,1]=4 58 B9R0.57 O=C([C@@H](N)C)OC(C)(C)C PI-31054 [0,1,0,0,1,0|2,0,0]=4 59 B9R0.57 O=C([C@H](N)C)OC(C)(C)C PI-18724 [0,1,0,0,1,0|2,0,0]=4 60 B11R0.34 CC(CNC(=O)OC(C)(C)C)O PI-47097 [0,1,0,0,0,1|2,0,0]=4 61 B11R0.34 C[C@H](CNC(=O)OC(C)(C)C)O PI-39368 [0,1,0,0,0,1|2,0,0]=4 62 B11R0.308 CC(C(C(=O)OC(C)(C)C)N)O PI-43849 [0,2,0,0,0,0|2,0,0]=4 63 B11R0.308 CC(C)C(C(=O)OC(C)(C)C)N PI-31050 [0,2,0,0,0,0|1,0,0]=3 64 B11R0.119 NCC(NC(=O)OC(C)(C)C)C PI-39345 [0,2,0,0,0,0|2,0,0]=4 65 B11R0.119 OCC(NC(=O)OC(C)(C)C)C PI-39342 [0,2,0,0,0,0|2,0,0]=4 66 B11R0.119 OC[C@@H](C)NC(=O)OC(C)(C)C PI-35944 [0,2,0,0,0,0|2,0,0]=4 67 B11R0.119 OC[C@@H](NC(=O)OC(C)(C)C)C PI-37668 [0,2,0,0,0,0|2,0,0]=4 68 B11R0.32 CC(C)CC(CN(C)C)C(=O)C PI-50280 [0,2,0,0,0,0|1,0,1]=4 69 B9R1.34 CC1CC(=O)CC(=O)C1 PI-30620 [1,0,0,1,0,0|1,0,1]=4 70 B9R1.34 CC1CC(CC(=O)C1)C PI-47230 [1,0,0,1,0,0|0,0,0]=2 71 B9R1.41 CC(C)N1CCCC1=O PI-50152 [1,0,0,1,0,0|1,0,0]=3 72 B9R1.48 C1CCC(=O)CC(=O)C1 PI-35810 [1,0,0,1,0,0|1,0,1]=4 73 B9R1.66 O=C1CC(C)(C)CCC1 PI-42382 [1,0,0,1,0,0|0,0,0]=2 74 B11R1.645 CC1CN(C(=O)O1)CC(C)O PI-19463 [0,0,0,1,0,1|2,0,0]=4 75 B11R1.166 CC1CCC(C(=O)C1)C(C)C PI-41659 [0,1,0,1,0,0|0,0,0]=2 76 B11R1.166 CC1CCC(C(C1)O)C(C)C PI-41648 [0,1,0,1,0,0|0,0,2]=4 77 B11R1.1127 CC(C)(C)OC(=O)NC1CC1 PI-35650 [0,1,0,1,0,0|2,0,0]=4 78 B11R1.1362 CC1(CC(=O)CC(C1)(C)C)C PI-39096 [0,1,0,1,0,0|0,0,0]=2 79 B11R1.1362 CC1(CC(CC(N1)(C)C)O)C PI-32408 [0,1,0,1,0,0|0,0,2]=4 80 B11R1.1362 NC1CC(C)(C)NC(C)(C)C1 PI-31168 [0,1,0,1,0,0|1,0,1]=4 81 B11R1.1362 O=C1CC(C)(C)NC(C)(C)C1 PI-32407 [0,1,0,1,0,0|0,0,0]=2 82 B11R1.225 COC(=O)C1CC(C)CC1=O PI-36283 [0,1,0,1,0,0|1,0,1]=4 83 B7R0.5 CCOC(=O)C(C)Br PI-44612 [1,0,0,0,1,0|2,0,0]=4 84 B7R0.5 CCOC(=O)C(C)Cl PI-21896 [1,0,0,0,1,0|2,0,0]=4 85 B7R0.5 CCOC(=O)C(C)F PI-12305 [1,0,0,0,1,0|2,0,0]=4 86 B7R0.5 CCOC(=O)C(N)C PI-10064 [1,0,0,0,1,0|2,0,0]=4 87 B7R0.5 CCOC(=O)[C@@H](N)C PI-31019 [1,0,0,0,1,0|2,0,0]=4 88 B7R0.6 CC(C)CCC(C)N PI-49380 [1,0,0,0,1,0|1,0,0]=3 89 B7R0.6 CC(C)CCC(C)O PI-30803 [1,0,0,0,1,0|1,0,0]=3 90 B7R0.6 CC(C)SSC(C)C PI-48489 [1,0,0,0,1,0|2,0,0]=4 91 B7R0.6 C[C@H](O)CC[C@H](C)O PI-20708 [1,0,0,0,1,0|2,0,0]=4 92 B9R0.48 CC(C)COC(=O)CC#N PI-32786 [1,0,0,0,0,1|1,0,1]=4 93 B9R0.48 CC(C)COC(=O)CC=C PI-50678 [1,0,0,0,0,1|0,0,2]=4 94 B9R0.55 CC(NCCNC(C)C)C PI-25541 [1,0,0,0,0,1|1,0,1]=4 95 B9R0.55 CN(C)CC=CCN(C)C PI-44176 [1,0,0,0,0,1|2,0,0]=4