0 B7R0.4 CC(C)CNCC#N CS-0466035 [0,0,0,0,0,0|3,0,1]=4 1 B7R0.4 CC(C)COCCN CS-0249793 [0,0,0,0,0,0|3,0,1]=4 2 B7R0.4 CC(C)CSCCCl CS-0224003 [0,0,0,0,0,0|3,0,1]=4 3 B7R0.4 CC(C)CSCCN CS-0308387 [0,0,0,0,0,0|3,0,1]=4 4 B7R0.4 CC(C)CSCCO CS-0452430 [0,0,0,0,0,0|2,1,1]=4 5 B7R0.4 CC(C)NCCC#N CS-0247667 [0,0,0,0,0,0|3,0,1]=4 6 B7R0.4 CC(C)NCCCN CS-0320337 [0,0,0,0,0,0|3,0,1]=4 7 B7R0.4 CC(C)NCCCO CS-0451363 [0,0,0,0,0,0|2,1,1]=4 8 B7R0.4 CC(C)OCCC#N CS-0223307 [0,0,0,0,0,0|3,0,1]=4 9 B7R0.4 CC(C)OCCCCl CS-0258066 [0,0,0,0,0,0|3,0,1]=4 10 B7R0.4 CCCCCC(C)Cl CS-0040143 [0,0,0,0,0,0|3,0,1]=4 11 B7R0.4 CN(C)CCCC#N CS-0151288 [0,0,0,0,0,0|3,0,1]=4 12 B7R0.4 COCCCN(C)C CS-0657529 [0,0,0,0,0,0|4,0,0]=4 13 B6R0.4 C=CCCC(C)Br CS-0253431 [1,0,0,0,0,0|2,0,1]=4 14 B6R0.4 C=CCC[C@@H](C)O CS-0179239 [1,0,0,0,0,0|2,0,1]=4 15 B6R0.4 C=CCC[C@H](C)O CS-0246373 [1,0,0,0,0,0|2,0,1]=4 16 B6R0.4 CC(C)CCCI CS-0570782 [1,0,0,0,0,0|1,0,1]=3 17 B6R0.4 CC(C)CCNN CS-0232527 [1,0,0,0,0,0|1,0,1]=3 18 B6R0.4 CC(C)SCCN CS-0214989 [1,0,0,0,0,0|2,0,1]=4 19 B6R0.4 CC(Cl)CCC#N CS-0697976 [1,0,0,0,0,0|2,0,1]=4 20 B6R0.4 CC(O)CCCCl CS-0210356 [1,0,0,0,0,0|2,0,1]=4 21 B6R0.4 CCCCC(C)Br CS-0206476 [1,0,0,0,0,0|2,0,1]=4 22 B6R0.4 CCCCC(C)Cl CS-0102663 [1,0,0,0,0,0|2,0,1]=4 23 B6R0.4 CN(C)CCNN CS-0248638 [1,0,0,0,0,0|2,0,1]=4 24 B6R0.4 CNCCC(C)C CS-W018343 [1,0,0,0,0,0|0,0,2]=3 25 B6R0.4 CSCCC(C)N CS-0262000 [1,0,0,0,0,0|2,0,1]=4 26 B6R0.6 CC#CCCCC CS-0204679 [1,0,0,0,0,0|2,0,1]=4 27 B6R0.6 CCCCCCN CS-0214121 [1,0,0,0,0,0|2,0,1]=4 28 B6R0.6 CCCCCCN CS-0468683 [1,0,0,0,0,0|2,0,1]=4 29 B6R0.6 CCCCCNN CS-0297653 [1,0,0,0,0,0|3,0,0]=4 30 B6R0.6 CCCCOCCl CS-0517473 [1,0,0,0,0,0|2,0,1]=4 31 B6R0.6 CCCCSC#N CS-0238108 [1,0,0,0,0,0|2,0,1]=4 32 B6R0.6 CCCCSCC CS-0206090 [1,0,0,0,0,0|2,0,1]=4 33 B8R0.5 CC(C)C[C@H](N)CCO CS-0572887 [0,1,0,0,0,0|1,1,1]=4 34 B8R0.5 COC[C@H](N)CC(C)C CS-0623230 [0,1,0,0,0,0|3,0,0]=4 35 B8R0.6 CC[C@H](C)CCCCO CS-0198804 [0,1,0,0,0,0|1,1,1]=4 36 B8R0.7 CC(C)CCNCCO CS-0263334 [0,1,0,0,0,0|0,1,2]=4 37 B8R0.7 CC(C)CCOCCCl CS-0250549 [0,1,0,0,0,0|2,0,1]=4 38 B8R0.7 CC(C)COCCC#N CS-0207850 [0,1,0,0,0,0|2,0,1]=4 39 B8R0.7 CC(C)COCCCN CS-0206527 [0,1,0,0,0,0|2,0,1]=4 40 B8R0.7 CC(C)CSCCCCl CS-0223634 [0,1,0,0,0,0|2,0,1]=4 41 B8R0.7 CC(C)CSCCCN CS-0223830 [0,1,0,0,0,0|2,0,1]=4 42 B8R0.7 CC(C)OCCCC#N CS-0233248 [0,1,0,0,0,0|2,0,1]=4 43 B8R0.7 COCCNCC(C)C CS-0246575 [0,1,0,0,0,0|3,0,0]=4 44 B8R0.9 CCC(O)CCC(C)C CS-0215618 [0,1,0,0,0,0|2,0,1]=4 45 B8R0.9 C\C(CCC(C)C)=N/O CS-0525071 [0,1,0,0,0,0|2,1,0]=4 46 B8R0.21 CC(C)(C)CCCCN CS-0258294 [0,1,0,0,0,0|2,0,1]=4 47 B8R0.28 CC(C)CCCC(=O)O CS-0096310 [0,1,0,0,0,0|1,1,1]=4 48 B8R0.28 CC(C)CCCC(C)O CS-0274181 [0,1,0,0,0,0|1,1,1]=4 49 B8R0.28 CC(C)CCNC(N)=S CS-0765727 [0,1,0,0,0,0|0,0,2]=3 50 B8R0.28 CN(C)CCCC(N)=S CS-0251333 [0,1,0,0,0,0|2,0,1]=4 51 B8R0.28 CN(C)CCNC(N)=S CS-0247373 [0,1,0,0,0,0|1,0,2]=4 52 B8R1.4 CC1CCCC(=O)C1 CS-W011266 [0,0,0,1,0,0|1,1,1]=4 53 B8R1.4 CC1CCCC(Br)C1 CS-0260886 [0,0,0,1,0,0|2,0,1]=4 54 B8R1.4 CC1CCCC(O)C1 CS-W011243 [0,0,0,1,0,0|1,1,1]=4 55 B8R1.4 C[C@@H]1CCCC(=O)C1 CS-0217860 [0,0,0,1,0,0|1,1,1]=4 56 B8R1.4 C[C@@H]1CCC[C@H](O)C1 CS-0474738 [0,0,0,1,0,0|1,1,1]=4 57 B8R1.4 NC1CCN=C(O)C1 CS-W005407 [0,0,0,1,0,0|1,1,1]=4 58 B8R1.7 CC(C)C1CCCN1 CS-0171943 [0,0,0,1,0,0|2,0,1]=4 59 B8R1.7 CC(C)C1CCCN1 CS-0465725 [0,0,0,1,0,0|2,0,1]=4 60 B8R1.7 CC(C)[C@@H]1CCCN1 CS-0053448 [0,0,0,1,0,0|2,0,1]=4 61 B8R1.19 CC1(C)CCCC1N CS-0183552 [0,0,0,1,0,0|2,0,1]=4 62 B8R1.19 CC1(C)CCOC1=O CS-0434158 [0,0,0,1,0,0|1,1,1]=4 63 B8R1.22 CC1CCCCNC1 CS-0038439 [0,0,0,1,0,0|2,0,1]=4 64 B8R1.22 CC1CCCNCC1 CS-0452269 [0,0,0,1,0,0|1,0,2]=4 65 B8R1.34 CC(C)CC1CNC1 CS-0623031 [0,0,0,1,0,0|3,0,0]=4 66 B8R1.72 CC1(C)CCCNC1 CS-0067913 [0,0,0,1,0,0|3,0,0]=4 67 B5R0.1 CC(Br)CCBr CS-0186296 [2,0,0,0,0,0|2,0,0]=4 68 B5R0.1 CC(Br)CCO CS-0902584 [2,0,0,0,0,0|1,1,0]=4 69 B5R0.1 CC(C)CCN CS-0214104 [2,0,0,0,0,0|0,0,1]=3 70 B5R0.1 CC(Cl)CCCl CS-0442069 [2,0,0,0,0,0|2,0,0]=4 71 B5R0.1 CC(O)CCN CS-0113030 [2,0,0,0,0,0|1,0,1]=4 72 B5R0.1 CC(O)CCN CS-0113103 [2,0,0,0,0,0|1,0,1]=4 73 B5R0.1 CCCC(C)N CS-0216448 [2,0,0,0,0,0|1,0,1]=4 74 B5R0.1 CN(C)CCN CS-0214118 [2,0,0,0,0,0|1,0,1]=4 75 B5R0.1 CNCC(C)C CS-0252120 [2,0,0,0,0,0|0,0,2]=4 76 B5R0.2 CCCCCF CS-0716626 [2,0,0,0,0,0|1,0,1]=4 77 B5R0.2 CCCCCN CS-0214092 [2,0,0,0,0,0|1,0,1]=4 78 B5R0.2 CCCCNN CS-0667621 [2,0,0,0,0,0|1,0,1]=4 79 B5R0.2 CCCCO[Ti] CS-0111516 [2,0,0,0,0,0|2,0,0]=4 80 B7R0.2 C#CC(O)CC(C)C CS-0225823 [1,1,0,0,0,0|1,0,1]=4 81 B7R0.2 CC(C)CC(O)CN CS-0262435 [1,1,0,0,0,0|1,0,1]=4 82 B7R0.2 CC(C)CC(O)CN CS-0274062 [1,1,0,0,0,0|1,0,1]=4 83 B7R0.2 C\C(CC(C)C)=N/O CS-0504213 [1,1,0,0,0,0|0,1,1]=4 84 B7R0.3 CCCCC(C)CO CS-0297350 [1,1,0,0,0,0|1,0,1]=4 85 B7R0.3 CC[C@H](C)CCCO CS-0198766 [1,1,0,0,0,0|0,1,1]=4 86 B7R0.3 COCCC(C)CN CS-0242646 [1,1,0,0,0,0|1,0,1]=4 87 B7R0.5 CC(C)C(C)CCO CS-0570786 [1,1,0,0,0,0|0,1,1]=4 88 B7R0.5 CC(C)[C@@H](N)CCO CS-0572776 [1,1,0,0,0,0|0,1,1]=4 89 B7R0.5 CCCC(O)C(C)C CS-0331622 [1,1,0,0,0,0|1,0,1]=4 90 B7R0.6 CC(C)CCC(=N)N CS-0695415 [1,1,0,0,0,0|1,0,1]=4 91 B7R0.6 CC(C)CCC(C)Br CS-0669437 [1,1,0,0,0,0|1,0,1]=4 92 B7R0.6 CN(C)CCC(N)=S CS-0247301 [1,1,0,0,0,0|1,0,1]=4 93 B7R0.8 C#CCCC(C)(C)O CS-0328656 [1,1,0,0,0,0|1,0,1]=4 94 B7R0.8 CC(C)(C)CCCN CS-0262569 [1,1,0,0,0,0|1,0,1]=4 95 B7R0.8 CC(C)(C)CCCO CS-0233547 [1,1,0,0,0,0|0,1,1]=4 96 B7R0.8 CC(C)(O)CCCBr CS-0121094 [1,1,0,0,0,0|1,0,1]=4 97 B7R0.8 CC(C)(O)CCCN CS-0154609 [1,1,0,0,0,0|1,0,1]=4 98 B7R0.8 CC(C)(O)CCCO CS-0308278 [1,1,0,0,0,0|0,1,1]=4 99 B9R0.1 CC(C)CCNC(=S)NN CS-0221432 [0,2,0,0,0,0|0,0,2]=4 100 B7R1.2 CC1CCC(O)C1 CS-0107204 [1,0,0,1,0,0|0,1,1]=4 101 B7R1.23 CC1(C)CC1CO CS-0238975 [1,0,0,1,0,0|0,1,1]=4