0 B4R0.1 C(=N)(N)NN A2Z00038637 [0,0,0,0,0,0|3,0,1]=4 1 B4R0.1 C(C(=O)Cl)Cl A2Z00093506 [0,0,0,0,0,0|3,0,1]=4 2 B4R0.1 CC(=O)CO A2Z00094832 [0,0,0,0,0,0|2,0,1]=3 3 B4R0.1 CC(C)CBr A2Z00038648 [0,0,0,0,0,0|1,0,0]=1 4 B4R0.1 CCC(=O)N A2Z00097941 [0,0,0,0,0,0|3,0,1]=4 5 B4R0.1 C[C@@H](CO)N A2Z00045067 [0,0,0,0,0,0|2,0,0]=2 6 B3R0.1 C#CCO A2Z00096413 [1,0,0,0,0,0|1,0,2]=4 7 B3R0.1 C(=N\O)/N A2Z00096515 [1,0,0,0,0,0|2,0,1]=4 8 B3R0.1 C(=O)NN A2Z00049575 [1,0,0,0,0,0|2,0,1]=4 9 B3R0.1 C(C#N)Cl A2Z00093485 [1,0,0,0,0,0|1,0,2]=4 10 B3R0.1 C(CS)N A2Z00095999 [1,0,0,0,0,0|1,0,0]=2 11 B3R0.1 C=CCBr A2Z00093514 [1,0,0,0,0,0|1,0,2]=4 12 B3R0.1 CCCBr A2Z00093521 [1,0,0,0,0,0|1,0,0]=2 13 B3R0.1 CCCN A2Z00093482 [1,0,0,0,0,0|0,0,0]=1 14 B3R0.2 CC(C)Br A2Z00093522 [1,0,0,0,0,0|1,0,0]=2 15 B3R0.2 CC(C)N A2Z00093481 [1,0,0,0,0,0|0,0,0]=1 16 B3R0.2 CN(C)N A2Z00049168 [1,0,0,0,0,0|1,0,0]=2 17 B5R0.1 CC(=O)CCN A2Z00069826 [0,1,0,0,0,0|1,0,1]=3 18 B5R0.1 CC(C)CCBr A2Z00093551 [0,1,0,0,0,0|1,0,0]=2 19 B5R0.1 CC(C)C[N+]#[C-] A2Z00050390 [0,1,0,0,0,0|0,0,1]=2 20 B5R0.1 CC(CNN)O A2Z00062183 [0,1,0,0,0,0|1,0,0]=2 21 B5R0.1 CN(C)CCCl A2Z00093594 [0,1,0,0,0,0|2,0,0]=3 22 B5R0.1 CNCC(=O)O A2Z00095987 [0,1,0,0,0,0|2,0,1]=4 23 B5R0.3 CCN(CC)N A2Z00049169 [0,1,0,0,0,0|3,0,0]=4 24 B5R0.3 COC(=O)CI A2Z00098171 [0,1,0,0,0,0|2,0,1]=4 25 B5R0.4 CC(C)(C#N)Br A2Z00049743 [0,1,0,0,0,0|0,0,2]=3 26 B5R0.4 CC(C)(C#N)N A2Z00095432 [0,1,0,0,0,0|0,0,2]=3 27 B5R0.4 CC(C)(CN)O A2Z00045066 [0,1,0,0,0,0|0,0,0]=1 28 B5R0.4 CCS(=O)(=O)C A2Z00068674 [0,1,0,0,0,0|3,0,0]=4 29 B5R0.5 CC(=O)N(C)N A2Z00094878 [0,1,0,0,0,0|2,0,1]=4 30 B5R0.5 CC(C(=O)C)Cl A2Z00093500 [0,1,0,0,0,0|2,0,1]=4 31 B5R0.5 CC(C(=O)N)Cl A2Z00098040 [0,1,0,0,0,0|1,0,1]=3 32 B5R0.5 CN(C)C(=O)Cl A2Z00096010 [0,1,0,0,0,0|2,0,1]=4 33 B5R1.2 C1C(=O)CO1 A2Z00096164 [0,0,0,1,0,0|2,0,1]=4 34 B5R1.2 C1C(CN1)O A2Z00050204 [0,0,0,1,0,0|1,0,0]=2 35 B5R1.2 C1C(CO1)O A2Z00096297 [0,0,0,1,0,0|2,0,0]=3 36 B5R1.3 C1C(O1)CCl A2Z00093491 [0,0,0,1,0,0|2,0,0]=3 37 B2R0.1 C(Br)Br A2Z00093572 [2,0,0,0,0,0|2,0,0]=4 38 B2R0.1 CC=O A2Z00093597 [2,0,0,0,0,0|1,0,1]=4 39 B2R0.1 CON A2Z00047974 [2,0,0,0,0,0|1,0,0]=3 40 B4R0.2 C(C#N)ON A2Z00070420 [1,1,0,0,0,0|1,0,1]=4 41 B4R0.2 C(CBr)CBr A2Z00093585 [1,1,0,0,0,0|1,0,0]=3 42 B4R0.2 C(CON)O A2Z00048270 [1,1,0,0,0,0|1,0,0]=3 43 B4R0.2 C(CS)C#N A2Z00070143 [1,1,0,0,0,0|0,0,2]=4 44 B4R0.2 CCCCBr A2Z00093542 [1,1,0,0,0,0|1,0,0]=3 45 B4R0.2 CCCCN A2Z00093484 [1,1,0,0,0,0|0,0,0]=2 46 B4R0.2 CNCCCl A2Z00094137 [1,1,0,0,0,0|1,0,0]=3 47 B4R0.2 COCON A2Z00070421 [1,1,0,0,0,0|1,0,0]=3 48 B6R0.1 CCC(C)N=C=O A2Z00046535 [0,2,0,0,0,0|1,0,1]=4 49 B6R0.1 CCN(C)CCO A2Z00049387 [0,2,0,0,0,0|2,0,0]=4 50 B6R0.1 CNC(=O)CON A2Z00070422 [0,2,0,0,0,0|1,0,1]=4 51 B6R0.2 CC(C)NC(C)C A2Z00095976 [0,2,0,0,0,0|1,0,0]=3 52 B6R0.3 C(C(C(=O)N)N)O A2Z00085566 [0,2,0,0,0,0|1,0,1]=4 53 B6R0.3 CC(C(=O)NC)N A2Z00049855 [0,2,0,0,0,0|1,0,1]=4 54 B6R0.3 CC(C)C(=O)CO A2Z00049695 [0,2,0,0,0,0|1,0,0]=3 55 B6R0.3 CC(C)C(C#N)N A2Z00094740 [0,2,0,0,0,0|0,0,0]=2 56 B6R0.3 CC(CO)[N+](=O)[O-] A2Z00048273 [0,2,0,0,0,0|2,0,0]=4 57 B6R0.4 CC(C)CN=C=O A2Z00046534 [0,2,0,0,0,0|0,0,1]=3 58 B6R0.4 CC(C)OCCN A2Z00047141 [0,2,0,0,0,0|0,0,0]=2 59 B6R0.4 CCCNC(C)C A2Z00048056 [0,2,0,0,0,0|1,0,0]=3 60 B6R0.4 CN(C)CCCCl A2Z00093595 [0,2,0,0,0,0|2,0,0]=4 61 B6R0.5 CC(C)(C)CCCl A2Z00094836 [0,2,0,0,0,0|1,0,0]=3 62 B6R0.5 CC(C)(C)CNC A2Z00049170 [0,2,0,0,0,0|0,0,0]=2 63 B6R0.5 CS(=O)(=O)CCN A2Z00048059 [0,2,0,0,0,0|2,0,0]=4 64 B6R0.8 CC(C)(CN)C#N A2Z00049740 [0,2,0,0,0,0|0,0,0]=2 65 B6R0.8 CC(C)(CN)CO A2Z00097428 [0,2,0,0,0,0|0,0,0]=2 66 B6R0.9 CCC(CC)CN A2Z00049557 [0,2,0,0,0,0|0,0,0]=2 67 B6R0.7 CC(C)(C(=O)N)Br A2Z00070347 [0,2,0,0,0,0|0,0,1]=3 68 B6R0.7 CC(C)C(C)(C)N A2Z00047867 [0,2,0,0,0,0|0,0,0]=2 69 B6R0.7 CC(C)S(=O)(=O)N A2Z00094821 [0,2,0,0,0,0|1,0,0]=3 70 B6R0.7 CN(C)S(=O)(=O)N A2Z00095296 [0,2,0,0,0,0|2,0,0]=4 71 B6R1.2 C1CCC(C1)N A2Z00093486 [0,1,0,1,0,0|2,0,0]=4 72 B6R1.2 C1CCC(C1)O A2Z00093488 [0,1,0,1,0,0|2,0,0]=4 73 B6R1.2 C1CNCC1=O A2Z00050357 [0,1,0,1,0,0|1,0,1]=4 74 B6R1.3 C1CC1N=C=O A2Z00046533 [0,1,0,1,0,0|1,0,1]=4 75 B6R1.11 C1CC1C(=O)Cl A2Z00095908 [0,1,0,1,0,0|1,0,1]=4