0 B4R0.2 C(C#N)ON A2Z00070420 [0,0,0,0,0,0|3,0,1]=4 1 B4R0.2 C(CBr)CBr A2Z00093585 [0,0,0,0,0,0|2,0,1]=3 2 B4R0.2 C(CON)O A2Z00048270 [0,0,0,0,0,0|3,0,0]=3 3 B4R0.2 C(CS)C#N A2Z00070143 [0,0,0,0,0,0|2,0,1]=3 4 B4R0.2 CCCCBr A2Z00093542 [0,0,0,0,0,0|1,0,1]=2 5 B4R0.2 CCCCN A2Z00093484 [0,0,0,0,0,0|1,0,1]=2 6 B4R0.2 CNCCCl A2Z00094137 [0,0,0,0,0,0|2,0,1]=3 7 B4R0.2 COCON A2Z00070421 [0,0,0,0,0,0|3,0,0]=3 8 B3R0.1 C#CCO A2Z00096413 [1,0,0,0,0,0|0,0,3]=4 9 B3R0.1 C(=N\O)/N A2Z00096515 [1,0,0,0,0,0|3,0,0]=4 10 B3R0.1 C(=O)NN A2Z00049575 [1,0,0,0,0,0|2,0,0]=3 11 B3R0.1 C(C#N)Cl A2Z00093485 [1,0,0,0,0,0|2,0,1]=4 12 B3R0.1 C(CS)N A2Z00095999 [1,0,0,0,0,0|1,1,0]=3 13 B3R0.1 C=CCBr A2Z00093514 [1,0,0,0,0,0|1,0,1]=3 14 B3R0.1 CCCBr A2Z00093521 [1,0,0,0,0,0|1,0,0]=2 15 B3R0.1 CCCN A2Z00093482 [1,0,0,0,0,0|1,0,0]=2 16 B5R0.1 C(C#N)C(=O)N A2Z00096074 [0,1,0,0,0,0|1,0,1]=3 17 B5R0.1 C(C#N)C(=O)O A2Z00093469 [0,1,0,0,0,0|1,0,1]=3 18 B5R0.1 C(C#N)C(=S)N A2Z00033541 [0,1,0,0,0,0|1,1,1]=4 19 B5R0.1 C(CBr)C(=O)N A2Z00070352 [0,1,0,0,0,0|1,0,0]=2 20 B5R0.1 CC(=O)CCN A2Z00069826 [0,1,0,0,0,0|1,0,0]=2 21 B5R0.1 CC(C)CCBr A2Z00093551 [0,1,0,0,0,0|1,0,1]=3 22 B5R0.1 CC(C)C[N+]#[C-] A2Z00050390 [0,1,0,0,0,0|2,0,0]=3 23 B5R0.1 CC(CNN)O A2Z00062183 [0,1,0,0,0,0|2,0,0]=3 24 B5R0.1 CCCC(=O)O A2Z00093490 [0,1,0,0,0,0|0,0,0]=1 25 B5R0.1 CN(C)CCCl A2Z00093594 [0,1,0,0,0,0|2,0,1]=4 26 B5R0.1 CNCC(=O)O A2Z00095987 [0,1,0,0,0,0|1,0,0]=2 27 B5R0.1 COCC(=O)Cl A2Z00094312 [0,1,0,0,0,0|1,0,0]=2 28 B5R0.1 CSCC(=N)N A2Z00074300 [0,1,0,0,0,0|2,0,0]=3 29 B5R0.2 C(CCN)CN A2Z00070215 [0,1,0,0,0,0|1,0,1]=3 30 B5R0.2 C(CO)N=[N+]=[N-] A2Z00096040 [0,1,0,0,0,0|3,0,0]=4 31 B5R0.2 CCCCCBr A2Z00093550 [0,1,0,0,0,0|1,0,1]=3 32 B5R0.2 CCCCNC A2Z00093457 [0,1,0,0,0,0|1,0,1]=3 33 B5R0.2 CCNCC=C A2Z00070010 [0,1,0,0,0,0|1,0,0]=2 34 B5R0.2 COCN=C=O A2Z00048845 [0,1,0,0,0,0|1,0,1]=3 35 B5R0.3 C(C(=O)C=O)O A2Z00050060 [0,1,0,0,0,0|1,0,1]=3 36 B5R0.3 CCN(CC)N A2Z00049169 [0,1,0,0,0,0|2,0,1]=4 37 B5R0.3 COC(=O)C=C A2Z00093487 [0,1,0,0,0,0|2,0,1]=4 38 B5R1.1 C1CCNC1 A2Z00093483 [0,0,0,1,0,0|1,0,1]=3 39 B5R1.1 C1COC=C1 A2Z00050496 [0,0,0,1,0,0|0,0,2]=3 40 B5R1.2 C1C(=O)CO1 A2Z00096164 [0,0,0,1,0,0|1,0,0]=2 41 B5R1.2 C1C(CN1)O A2Z00050204 [0,0,0,1,0,0|1,0,2]=4 42 B5R1.2 C1C(CO1)O A2Z00096297 [0,0,0,1,0,0|1,0,2]=4 43 B5R1.3 C1C(O1)CCl A2Z00093491 [0,0,0,1,0,0|1,0,2]=4 44 B2R0.1 C(Br)Br A2Z00093572 [2,0,0,0,0,0|2,0,0]=4 45 B2R0.1 CC=O A2Z00093597 [2,0,0,0,0,0|0,0,0]=2 46 B2R0.1 CON A2Z00047974 [2,0,0,0,0,0|2,0,0]=4 47 B4R0.1 C(C(=O)Cl)Cl A2Z00093506 [1,1,0,0,0,0|1,0,0]=3 48 B4R0.1 CC(=O)CO A2Z00094832 [1,1,0,0,0,0|1,0,0]=3 49 B4R0.1 CC(C)CBr A2Z00038648 [1,1,0,0,0,0|1,0,0]=3 50 B4R0.1 CCC(=O)N A2Z00097941 [1,1,0,0,0,0|0,0,0]=2 51 B4R0.1 COC(=O)Cl A2Z00093492 [1,1,0,0,0,0|1,0,0]=3 52 B4R0.1 C[C@@H](CO)N A2Z00045067 [1,1,0,0,0,0|0,0,1]=3 53 B6R0.1 CCC(C)N=C=O A2Z00046535 [0,2,0,0,0,0|0,0,1]=3 54 B6R0.1 CCN(C)CCO A2Z00049387 [0,2,0,0,0,0|0,0,2]=4 55 B6R0.1 CCOC(=O)C#N A2Z00096059 [0,2,0,0,0,0|1,0,0]=3 56 B6R0.1 CCOC(=O)CBr A2Z00093566 [0,2,0,0,0,0|1,0,0]=3 57 B6R0.1 CCOC(=O)NN A2Z00096080 [0,2,0,0,0,0|1,0,0]=3 58 B6R0.1 CNC(=O)CON A2Z00070422 [0,2,0,0,0,0|2,0,0]=4 59 B6R0.1 COC(=O)CCS A2Z00096087 [0,2,0,0,0,0|1,0,0]=3 60 B6R0.1 COC(=O)C[N+]#[C-] A2Z00096250 [0,2,0,0,0,0|1,0,1]=4 61 B6R0.2 C(C(=O)N)[N+](=O)[O-] A2Z00096710 [0,2,0,0,0,0|2,0,0]=4 62 B6R0.2 C(C(=O)O)C(=O)O A2Z00038640 [0,2,0,0,0,0|1,0,1]=4 63 B6R0.3 C(C(C(=O)N)N)O A2Z00085566 [0,2,0,0,0,0|1,0,0]=3 64 B6R0.3 C(C(C(=O)O)N)O A2Z00096658 [0,2,0,0,0,0|1,0,0]=3 65 B6R0.3 CC(C)C(C#N)N A2Z00094740 [0,2,0,0,0,0|1,0,1]=4 66 B6R0.3 CC(CO)[N+](=O)[O-] A2Z00048273 [0,2,0,0,0,0|2,0,0]=4 67 B6R0.4 C(CC(=O)N)CCl A2Z00070345 [0,2,0,0,0,0|0,0,0]=2 68 B6R0.4 C=CCOC(=O)Cl A2Z00093512 [0,2,0,0,0,0|0,0,2]=4 69 B6R0.4 CC(=O)CCCCl A2Z00094593 [0,2,0,0,0,0|0,0,0]=2 70 B6R0.4 CC(=O)OCC#C A2Z00096305 [0,2,0,0,0,0|0,0,2]=4 71 B6R0.4 CC(=O)OCCBr A2Z00098196 [0,2,0,0,0,0|1,0,0]=3 72 B6R0.4 CC(=O)\C=C\OC A2Z00096533 [0,2,0,0,0,0|0,0,2]=4 73 B6R0.4 CC(C)CN=C=O A2Z00046534 [0,2,0,0,0,0|0,0,1]=3 74 B6R0.4 CC(C)OCCN A2Z00047141 [0,2,0,0,0,0|1,0,1]=4 75 B6R0.4 CCCNC(C)C A2Z00048056 [0,2,0,0,0,0|1,0,1]=4 76 B6R0.4 CN(C)CCCCl A2Z00093595 [0,2,0,0,0,0|1,0,1]=4 77 B6R0.5 CC(C)(C)CCCl A2Z00094836 [0,2,0,0,0,0|1,0,1]=4 78 B6R0.5 CC(C)(C)CNC A2Z00049170 [0,2,0,0,0,0|2,0,0]=4 79 B6R0.5 CCNS(=O)(=O)Cl A2Z00048834 [0,2,0,0,0,0|2,0,0]=4 80 B6R0.5 CS(=O)(=O)CC=C A2Z00069959 [0,2,0,0,0,0|2,0,0]=4 81 B6R0.5 CS(=O)(=O)CCN A2Z00048059 [0,2,0,0,0,0|2,0,0]=4 82 B6R0.6 C(CCl)NCCCl A2Z00068903 [0,2,0,0,0,0|1,0,1]=4 83 B6R0.6 C(CI)OCCI A2Z00095388 [0,2,0,0,0,0|1,0,1]=4 84 B6R0.6 C(COCCCl)N A2Z00070360 [0,2,0,0,0,0|1,0,1]=4 85 B6R0.6 C(COCCF)O A2Z00049591 [0,2,0,0,0,0|0,0,2]=4 86 B6R0.6 CCCCCCBr A2Z00093564 [0,2,0,0,0,0|1,0,1]=4 87 B6R0.6 CCCCCCI A2Z00093584 [0,2,0,0,0,0|1,0,1]=4 88 B6R0.6 CCCCCCO A2Z00093499 [0,2,0,0,0,0|0,0,2]=4 89 B6R0.6 COCCCCN A2Z00047139 [0,2,0,0,0,0|0,0,2]=4 90 B6R0.6 COCCN=C=O A2Z00046536 [0,2,0,0,0,0|0,0,1]=3 91 B6R0.9 CCC(CC)CN A2Z00049557 [0,2,0,0,0,0|1,0,1]=4 92 B6R1.2 C1CC(=N)NC1 A2Z00096075 [0,1,0,1,0,0|1,0,0]=3 93 B6R1.2 C1CC(=O)C=C1 A2Z00096072 [0,1,0,1,0,0|0,0,1]=3 94 B6R1.2 C1CC(=O)OC1 A2Z00038638 [0,1,0,1,0,0|0,0,0]=2 95 B6R1.2 C1CCC(C1)N A2Z00093486 [0,1,0,1,0,0|1,0,1]=4 96 B6R1.2 C1CCC(C1)O A2Z00093488 [0,1,0,1,0,0|0,0,2]=4 97 B6R1.2 C1CNCC1=O A2Z00050357 [0,1,0,1,0,0|0,0,0]=2 98 B6R1.2 C1COC(=O)N1 A2Z00096076 [0,1,0,1,0,0|1,0,0]=3 99 B6R1.2 C1CSC(=N1)N A2Z00096171 [0,1,0,1,0,0|1,1,0]=4 100 B6R1.3 C1CC1N=C=O A2Z00046533 [0,1,0,1,0,0|0,0,1]=3 101 B6R1.11 C1CC1C(=O)Cl A2Z00095908 [0,1,0,1,0,0|0,0,0]=2 102 B6R1.1 C1CC=COC1 A2Z00050188 [0,1,0,1,0,0|0,0,1]=3 103 B6R1.1 C1CNCCN1 A2Z00093489 [0,1,0,1,0,0|1,0,1]=4