0 B6R0.3 C(C(C(=O)N)N)O A2Z00085566 [0,0,0,0,0,0|3,0,0]=3 1 B6R0.3 C(C(C(=O)O)N)O A2Z00096658 [0,0,0,0,0,0|2,0,0]=2 2 B6R0.3 CC(CO)[N+](=O)[O-] A2Z00048273 [0,0,0,0,0,0|2,0,1]=3 3 B5R0.1 C(C#N)C(=O)N A2Z00096074 [1,0,0,0,0,0|2,0,1]=4 4 B5R0.1 C(C#N)C(=O)O A2Z00093469 [1,0,0,0,0,0|1,0,1]=3 5 B5R0.1 C(CBr)C(=O)N A2Z00070352 [1,0,0,0,0,0|2,0,0]=3 6 B5R0.1 CC(=O)CCN A2Z00069826 [1,0,0,0,0,0|2,0,0]=3 7 B5R0.1 CCCC(=O)O A2Z00093490 [1,0,0,0,0,0|0,0,0]=1 8 B5R0.1 CNCC(=O)O A2Z00095987 [1,0,0,0,0,0|1,0,0]=2 9 B5R0.1 COCC(=O)Cl A2Z00094312 [1,0,0,0,0,0|2,0,0]=3 10 B5R0.1 CSCC(=N)N A2Z00074300 [1,0,0,0,0,0|3,0,0]=4 11 B5R0.3 C(C(=O)C=O)O A2Z00050060 [1,0,0,0,0,0|2,0,1]=4 12 B5R0.5 CC(=O)N(C)N A2Z00094878 [1,0,0,0,0,0|3,0,0]=4 13 B5R0.5 CC(C(=O)C)Cl A2Z00093500 [1,0,0,0,0,0|2,0,0]=3 14 B5R0.5 CC(C(=O)N)Cl A2Z00098040 [1,0,0,0,0,0|2,0,0]=3 15 B5R0.5 CN(C)C(=O)Cl A2Z00096010 [1,0,0,0,0,0|2,0,0]=3 16 B7R0.10 CCC(C(=O)OC)Br A2Z00096125 [0,1,0,0,0,0|1,0,0]=2 17 B7R0.10 CCC(C(=O)OC)N A2Z00098004 [0,1,0,0,0,0|1,0,0]=2 18 B7R0.10 COC(=O)C(CO)N A2Z00085507 [0,1,0,0,0,0|2,0,0]=3 19 B7R0.10 COC(=O)C(CS)N A2Z00096121 [0,1,0,0,0,0|2,0,0]=3 20 B7R0.13 CC(C)(CN)C(=O)N A2Z00094796 [0,1,0,0,0,0|2,0,0]=3 21 B7R0.15 CC(C(OC)OC)O A2Z00096673 [0,1,0,0,0,0|2,0,1]=4 22 B7R0.15 CCN(CC)C(=O)Cl A2Z00096009 [0,1,0,0,0,0|2,0,0]=3 23 B7R0.16 CC(C)C(=C)C(=O)O A2Z00049593 [0,1,0,0,0,0|0,0,2]=3 24 B7R1.4 C1CC(C(C1)O)N A2Z00095968 [0,0,0,1,0,0|2,0,1]=4 25 B7R0.2 CC(CO)NC(=O)C A2Z00047992 [0,0,0,0,0,1|2,0,0]=3 26 B7R0.2 CCC(CC(=O)O)N A2Z00050458 [0,0,0,0,0,1|1,0,0]=2 27 B4R0.1 C(C(=O)Cl)Cl A2Z00093506 [2,0,0,0,0,0|2,0,0]=4 28 B4R0.1 CC(=O)CO A2Z00094832 [2,0,0,0,0,0|1,0,1]=4 29 B4R0.1 CC(C)CBr A2Z00038648 [2,0,0,0,0,0|1,0,1]=4 30 B4R0.1 CCC(=O)N A2Z00097941 [2,0,0,0,0,0|1,0,0]=3 31 B4R0.1 COC(=O)Cl A2Z00093492 [2,0,0,0,0,0|2,0,0]=4 32 B4R0.1 C[C@@H](CO)N A2Z00045067 [2,0,0,0,0,0|1,0,1]=4 33 B4R0.2 CCCCBr A2Z00093542 [2,0,0,0,0,0|1,0,1]=4 34 B4R0.2 CCCCN A2Z00093484 [2,0,0,0,0,0|1,0,1]=4 35 B6R0.1 CCOC(=O)C#N A2Z00096059 [1,1,0,0,0,0|2,0,0]=4 36 B6R0.1 CCOC(=O)CBr A2Z00093566 [1,1,0,0,0,0|2,0,0]=4 37 B6R0.1 CCOC(=O)NN A2Z00096080 [1,1,0,0,0,0|2,0,0]=4 38 B6R0.1 COC(=O)CCS A2Z00096087 [1,1,0,0,0,0|1,0,0]=3 39 B6R0.1 COC(=O)C[N+]#[C-] A2Z00096250 [1,1,0,0,0,0|1,0,1]=4 40 B6R0.2 C(C(=O)O)C(=O)O A2Z00038640 [1,1,0,0,0,0|1,0,1]=4 41 B6R0.4 C(CC(=O)N)CCl A2Z00070345 [1,1,0,0,0,0|1,0,0]=3 42 B6R0.4 CC(=O)CCCCl A2Z00094593 [1,1,0,0,0,0|1,0,0]=3 43 B6R0.4 CC(=O)OCCBr A2Z00098196 [1,1,0,0,0,0|2,0,0]=4 44 B6R0.8 CC(C)(CN)CO A2Z00097428 [1,1,0,0,0,0|1,0,1]=4 45 B6R0.9 CCC(CC)CN A2Z00049557 [1,1,0,0,0,0|1,0,1]=4 46 B6R0.7 C(=O)(C(F)(F)F)O A2Z00096362 [1,1,0,0,0,0|2,0,0]=4 47 B6R0.7 CC(C)(C(=O)N)Br A2Z00070347 [1,1,0,0,0,0|1,0,0]=3 48 B6R0.7 CC(C)S(=O)(=O)N A2Z00094821 [1,1,0,0,0,0|1,0,1]=4 49 B8R0.2 CC(C(C(=O)O)Br)OC A2Z00049624 [0,1,0,0,0,1|1,0,0]=3 50 B8R0.5 CCC\C(=C\C(=O)O)\C A2Z00049558 [0,1,0,0,0,1|0,0,1]=3 51 B8R0.16 C(C(CN)CO)C(=O)O A2Z00050494 [0,1,0,0,0,1|1,0,0]=3 52 B8R0.16 CC(=O)CC(OC)OC A2Z00096091 [0,1,0,0,0,1|2,0,0]=4 53 B8R0.16 CCN(CC)CC(=O)N A2Z00038591 [0,1,0,0,0,1|2,0,0]=4 54 B8R0.19 CCC(C)NC(=O)CCl A2Z00067385 [0,1,0,0,0,1|1,0,0]=3 55 B8R0.19 CCC(CC(=O)OC)N A2Z00050344 [0,1,0,0,0,1|1,0,0]=3 56 B8R0.19 COC(=O)CC(CN)N A2Z00050464 [0,1,0,0,0,1|2,0,0]=4 57 B8R0.23 CC(C)C(CC(=O)O)O A2Z00049174 [0,1,0,0,0,1|1,0,0]=3 58 B8R0.3 CCOC(=O)C(C)CCl A2Z00095050 [0,2,0,0,0,0|1,0,0]=3 59 B8R0.8 CC(C(=O)O)OCCN A2Z00070299 [0,2,0,0,0,0|0,0,0]=2 60 B8R0.8 CSCCC(C(=O)O)N A2Z00093547 [0,2,0,0,0,0|1,0,0]=3 61 B8R0.36 CCC(C)(C(=O)O)OC A2Z00050183 [0,2,0,0,0,0|0,0,0]=2 62 B6R1.2 C1CC(=N)NC1 A2Z00096075 [1,0,0,1,0,0|2,0,0]=4 63 B6R1.2 C1CC(=O)C=C1 A2Z00096072 [1,0,0,1,0,0|1,0,1]=4 64 B6R1.2 C1CC(=O)OC1 A2Z00038638 [1,0,0,1,0,0|0,0,0]=2 65 B6R1.2 C1CCC(C1)O A2Z00093488 [1,0,0,1,0,0|1,0,1]=4 66 B6R1.2 C1CNCC1=O A2Z00050357 [1,0,0,1,0,0|2,0,0]=4 67 B6R1.2 C1COC(=O)N1 A2Z00096076 [1,0,0,1,0,0|1,0,0]=3 68 B6R1.11 C1CC1C(=O)Cl A2Z00095908 [1,0,0,1,0,0|1,0,0]=3 69 B8R1.1 C1C(CNC1=O)CN A2Z00096245 [0,0,0,1,0,1|2,0,0]=4 70 B8R1.1 C1C(CNC1=O)CO A2Z00050383 [0,0,0,1,0,1|2,0,0]=4 71 B8R1.4 CC1CCCC(C1)O A2Z00093510 [0,0,0,1,0,1|1,0,1]=4 72 B8R1.34 C1C(CO1)CC(=O)O A2Z00096243 [0,0,0,1,0,1|1,0,0]=3 73 B8R1.5 CC1CCCCC1=O A2Z00038642 [0,1,0,1,0,0|1,0,0]=3 74 B8R1.7 C1CNCC1C(=O)O A2Z00096244 [0,1,0,1,0,0|0,0,0]=2 75 B8R1.19 CC1(C(=O)CCN1)C A2Z00050354 [0,1,0,1,0,0|2,0,0]=4 76 B8R1.54 CC(C1CC1)C(=O)O A2Z00047916 [0,1,0,1,0,0|0,0,0]=2 77 B8R1.78 CC1(COC1)C(=O)O A2Z00096242 [0,1,0,1,0,0|0,0,0]=2 78 B8R2.38 C1C2C1C(=O)NC2 A2Z00050425 [0,0,0,2,0,0|1,0,0]=3 79 B8R0.9 CCC(=O)NCC(=O)O A2Z00046377 [0,0,0,0,0,2|1,0,1]=4