0 B7R0.6 CC(=O)\C=C\N(C)C A2Z00096534 [0,0,0,0,0,0|2,0,1]=3 1 B7R0.6 CC(C)COC(=O)Cl A2Z00093541 [0,0,0,0,0,0|1,0,0]=1 2 B7R0.6 CC(C)SCC(=O)O A2Z00055812 [0,0,0,0,0,0|3,0,0]=3 3 B7R0.6 CN(C)CCC(=O)O A2Z00094718 [0,0,0,0,0,0|3,0,0]=3 4 B6R0.4 C(CC(=O)N)CCl A2Z00070345 [1,0,0,0,0,0|3,0,0]=4 5 B6R0.4 C=CCOC(=O)Cl A2Z00093512 [1,0,0,0,0,0|1,0,2]=4 6 B6R0.4 CC(=O)CCCCl A2Z00094593 [1,0,0,0,0,0|2,0,0]=3 7 B6R0.4 CC(=O)OCC#C A2Z00096305 [1,0,0,0,0,0|0,0,2]=3 8 B6R0.4 CC(=O)OCCBr A2Z00098196 [1,0,0,0,0,0|1,0,0]=2 9 B6R0.4 CC(=O)\C=C\OC A2Z00096533 [1,0,0,0,0,0|2,0,1]=4 10 B6R0.4 CC(C)CN=C=O A2Z00046534 [1,0,0,0,0,0|1,0,1]=3 11 B6R0.4 CC(C)OCCN A2Z00047141 [1,0,0,0,0,0|2,0,1]=4 12 B6R0.4 CCCNC(C)C A2Z00048056 [1,0,0,0,0,0|2,0,1]=4 13 B8R0.23 CC(C)C(CC(=O)O)O A2Z00049174 [0,1,0,0,0,0|2,0,0]=3 14 B8R0.29 CC(C)(CCN(C)C)O A2Z00095038 [0,1,0,0,0,0|3,0,0]=4 15 B8R1.3 CC1CCC(CC1)O A2Z00093509 [0,0,0,1,0,0|1,0,2]=4 16 B8R1.35 C1CC1NCC(=O)N A2Z00049171 [0,0,0,1,0,0|3,0,0]=4 17 B8R1.51 CC1(CC(=O)OC1)C A2Z00096652 [0,0,0,1,0,0|0,0,0]=1 18 B8R1.51 CC1(CCC(=O)C1)C A2Z00096352 [0,0,0,1,0,0|1,0,0]=2 19 B8R1.51 CC1(CCC(C1)N)C A2Z00096353 [0,0,0,1,0,0|2,0,1]=4 20 B8R1.51 CC1(CCC(C1)O)C A2Z00050412 [0,0,0,1,0,0|1,0,2]=4 21 B6R0.2 CC(C)NC(C)C A2Z00095976 [0,0,0,0,1,0|2,0,1]=4 22 B8R0.28 CC(C)CNCC(C)C A2Z00093471 [0,0,0,0,0,1|2,0,1]=4 23 B5R0.1 C(CBr)C(=O)N A2Z00070352 [2,0,0,0,0,0|2,0,0]=4 24 B5R0.1 CC(=O)CCN A2Z00069826 [2,0,0,0,0,0|1,0,0]=3 25 B5R0.1 CC(C)CCBr A2Z00093551 [2,0,0,0,0,0|1,0,1]=4 26 B5R0.1 CC(C)C[N+]#[C-] A2Z00050390 [2,0,0,0,0,0|1,0,1]=4 27 B5R0.1 CCCC(=O)O A2Z00093490 [2,0,0,0,0,0|1,0,0]=3 28 B5R0.1 CNCC(=O)O A2Z00095987 [2,0,0,0,0,0|2,0,0]=4 29 B5R0.1 COCC(=O)Cl A2Z00094312 [2,0,0,0,0,0|2,0,0]=4 30 B5R0.2 CCCCNC A2Z00093457 [2,0,0,0,0,0|2,0,0]=4 31 B7R0.2 CC(CO)NC(=O)C A2Z00047992 [1,1,0,0,0,0|2,0,0]=4 32 B7R0.2 CCC(CC(=O)O)N A2Z00050458 [1,1,0,0,0,0|2,0,0]=4 33 B7R0.3 CCCNC(=O)CCl A2Z00038430 [1,1,0,0,0,0|1,0,0]=3 34 B7R0.3 COC(=O)CCCCl A2Z00098035 [1,1,0,0,0,0|2,0,0]=4 35 B7R0.3 COCCC(=O)OC A2Z00094834 [1,1,0,0,0,0|2,0,0]=4 36 B7R0.4 C(CCS)CC(=O)O A2Z00070146 [1,1,0,0,0,0|2,0,0]=4 37 B7R0.4 CC(=O)CCCC#N A2Z00097349 [1,1,0,0,0,0|1,0,1]=4 38 B7R0.4 CC(=O)NCCC#N A2Z00061540 [1,1,0,0,0,0|1,0,1]=4 39 B7R0.4 CC(=O)NCCCN A2Z00047088 [1,1,0,0,0,0|1,0,0]=3 40 B7R0.4 CC(=O)NCCCO A2Z00061529 [1,1,0,0,0,0|1,0,0]=3 41 B7R0.4 CC(=O)NCCON A2Z00048058 [1,1,0,0,0,0|2,0,0]=4 42 B7R0.4 CC(C)CCCCN A2Z00049525 [1,1,0,0,0,0|1,0,1]=4 43 B7R0.4 CC(C)CCCNC A2Z00049564 [1,1,0,0,0,0|1,0,1]=4 44 B7R0.4 CC(C)CCN=C=O A2Z00046539 [1,1,0,0,0,0|1,0,1]=4 45 B7R0.4 CSCCCC(=O)O A2Z00070144 [1,1,0,0,0,0|2,0,0]=4 46 B7R0.9 CC(C)(C)NC(=O)N A2Z00097411 [0,1,0,0,1,0|2,0,0]=4 47 B7R0.9 CC(C)(CN(C)C)O A2Z00048057 [0,1,0,0,1,0|2,0,0]=4 48 B7R0.16 CC(C)C(=C)C(=O)O A2Z00049593 [0,1,0,0,1,0|1,0,1]=4 49 B9R0.53 CC(C)CC(CC(=O)O)O A2Z00049177 [0,1,0,0,0,1|2,0,0]=4 50 B9R0.43 CC(=O)NCC(OC)OC A2Z00094393 [0,2,0,0,0,0|1,0,0]=3 51 B7R1.2 CC1CNC(=O)O1 A2Z00096651 [1,0,0,1,0,0|2,0,0]=4 52 B7R1.3 C1CC(=O)CNC1 A2Z00096272 [1,0,0,1,0,0|2,0,0]=4 53 B7R1.3 C1CC=CC(=O)C1 A2Z00096058 [1,0,0,1,0,0|1,0,1]=4 54 B7R1.3 C1COCCC1=O A2Z00096060 [1,0,0,1,0,0|2,0,0]=4 55 B7R1.3 C1CSCCC1=O A2Z00050190 [1,0,0,1,0,0|2,0,0]=4 56 B7R1.3 CC1CCCNC1 A2Z00093496 [1,0,0,1,0,0|1,0,1]=4 57 B7R1.3 CC1CCNCC1 A2Z00093494 [1,0,0,1,0,0|2,0,0]=4 58 B7R1.3 CC1COCCN1 A2Z00047114 [1,0,0,1,0,0|1,0,1]=4 59 B9R1.66 CC1(COCC(=O)N1)C A2Z00046113 [0,0,0,1,0,1|1,0,0]=3 60 B9R1.85 CC(=NOCC1CO1)C A2Z00094577 [0,0,0,1,0,1|2,0,0]=4 61 B9R1.10 CC1(COS(=O)OC1)C A2Z00096646 [0,1,0,1,0,0|1,0,0]=3 62 B9R1.10 CC1(OCC(=O)CO1)C A2Z00096283 [0,1,0,1,0,0|2,0,0]=4 63 B9R1.10 CC1CNC(CO1)(C)C A2Z00044911 [0,1,0,1,0,0|1,0,1]=4 64 B9R1.125 CC1(CC(=O)NC1)CO A2Z00050495 [0,1,0,1,0,0|1,0,0]=3 65 B9R2.139 C1CC2(CC2)NC1=O A2Z00050478 [0,0,0,2,0,0|2,0,0]=4 66 B5R0.5 CC(=O)N(C)N A2Z00094878 [0,0,0,0,2,0|2,0,0]=4 67 B5R0.5 CC(C(=O)C)Cl A2Z00093500 [0,0,0,0,2,0|1,0,0]=3 68 B5R0.5 CC(C(=O)N)Cl A2Z00098040 [0,0,0,0,2,0|2,0,0]=4 69 B5R0.5 CN(C)C(=O)Cl A2Z00096010 [0,0,0,0,2,0|2,0,0]=4