0 B5R0.1 CC(=O)CCN A2Z00069826 [0,0,0,0,0,0|2,0,2]=4 1 B5R0.1 CC(C)CCBr A2Z00093551 [0,0,0,0,0,0|1,0,1]=2 2 B5R0.1 CC(C)C[N+]#[C-] A2Z00050390 [0,0,0,0,0,0|2,0,0]=2 3 B5R0.1 CC(CNN)O A2Z00062183 [0,0,0,0,0,0|3,0,0]=3 4 B5R0.1 CN(C)CCCl A2Z00093594 [0,0,0,0,0,0|2,0,1]=3 5 B4R0.1 CC(=O)CO A2Z00094832 [1,0,0,0,0,0|1,0,2]=4 6 B4R0.1 CC(C)CBr A2Z00038648 [1,0,0,0,0,0|1,0,0]=2 7 B4R0.1 C[C@@H](CO)N A2Z00045067 [1,0,0,0,0,0|1,0,1]=3 8 B4R0.2 C(CBr)CBr A2Z00093585 [1,0,0,0,0,0|2,0,1]=4 9 B4R0.2 C(CON)O A2Z00048270 [1,0,0,0,0,0|3,0,0]=4 10 B4R0.2 C(CS)C#N A2Z00070143 [1,0,0,0,0,0|2,0,1]=4 11 B4R0.2 CCCCBr A2Z00093542 [1,0,0,0,0,0|1,0,1]=3 12 B4R0.2 CCCCN A2Z00093484 [1,0,0,0,0,0|1,0,1]=3 13 B4R0.2 CNCCCl A2Z00094137 [1,0,0,0,0,0|2,0,1]=4 14 B4R0.2 COCON A2Z00070421 [1,0,0,0,0,0|3,0,0]=4 15 B6R0.1 CCC(C)N=C=O A2Z00046535 [0,1,0,0,0,0|1,0,1]=3 16 B6R0.1 CCN(C)CCO A2Z00049387 [0,1,0,0,0,0|1,0,2]=4 17 B6R0.2 C(C(=O)N)[N+](=O)[O-] A2Z00096710 [0,1,0,0,0,0|3,0,0]=4 18 B6R0.2 C(C(=O)O)C(=O)O A2Z00038640 [0,1,0,0,0,0|2,0,1]=4 19 B6R0.2 CC(=C[N+](=O)[O-])C A2Z00094964 [0,1,0,0,0,0|1,0,2]=4 20 B6R0.2 CC(C)NC(C)C A2Z00095976 [0,1,0,0,0,0|2,0,1]=4 21 B6R0.3 CC(C)C(=O)CO A2Z00049695 [0,1,0,0,0,0|0,0,3]=4 22 B6R0.3 CC(C)C(C#N)N A2Z00094740 [0,1,0,0,0,0|1,0,1]=3 23 B6R0.4 CC(C)CN=C=O A2Z00046534 [0,1,0,0,0,0|0,0,1]=2 24 B6R0.4 CC(C)OCCN A2Z00047141 [0,1,0,0,0,0|1,0,1]=3 25 B6R0.4 CCCNC(C)C A2Z00048056 [0,1,0,0,0,0|1,0,1]=3 26 B6R0.4 CN(C)CCCCl A2Z00093595 [0,1,0,0,0,0|2,0,1]=4 27 B6R0.5 CC(C)(C)CCCl A2Z00094836 [0,1,0,0,0,0|1,0,1]=3 28 B6R0.5 CC(C)(C)CNC A2Z00049170 [0,1,0,0,0,0|2,0,0]=3 29 B6R0.5 CS(=O)(=O)CC=C A2Z00069959 [0,1,0,0,0,0|3,0,0]=4 30 B6R1.2 C1CCC(C1)N A2Z00093486 [0,0,0,1,0,0|2,0,1]=4 31 B6R1.2 C1CCC(C1)O A2Z00093488 [0,0,0,1,0,0|2,0,1]=4 32 B6R1.3 C1CC1N=C=O A2Z00046533 [0,0,0,1,0,0|1,0,1]=3 33 B3R0.1 C(=O)NN A2Z00049575 [2,0,0,0,0,0|2,0,0]=4 34 B3R0.1 C(CS)N A2Z00095999 [2,0,0,0,0,0|1,1,0]=4 35 B3R0.1 C=CCBr A2Z00093514 [2,0,0,0,0,0|1,0,1]=4 36 B3R0.1 CCCBr A2Z00093521 [2,0,0,0,0,0|1,0,0]=3 37 B3R0.1 CCCN A2Z00093482 [2,0,0,0,0,0|1,0,0]=3 38 B3R0.2 CC(C)Br A2Z00093522 [2,0,0,0,0,0|1,0,0]=3 39 B3R0.2 CC(C)N A2Z00093481 [2,0,0,0,0,0|1,0,0]=3 40 B3R0.2 CN(C)N A2Z00049168 [2,0,0,0,0,0|2,0,0]=4 41 B5R0.3 C(C(=O)C=O)O A2Z00050060 [1,1,0,0,0,0|1,0,1]=4 42 B5R0.4 CC(C)(C#N)Br A2Z00049743 [1,1,0,0,0,0|1,0,1]=4 43 B5R0.4 CC(C)(C#N)N A2Z00095432 [1,1,0,0,0,0|1,0,1]=4 44 B5R0.4 CC(C)(CN)O A2Z00045066 [1,1,0,0,0,0|1,0,0]=3 45 B5R0.5 CC(=O)N(C)N A2Z00094878 [1,1,0,0,0,0|2,0,0]=4 46 B5R0.5 CC(C(=O)C)Cl A2Z00093500 [1,1,0,0,0,0|1,0,0]=3 47 B5R0.5 CC(C(=O)N)Cl A2Z00098040 [1,1,0,0,0,0|1,0,0]=3 48 B5R0.5 CN(C)C(=O)Cl A2Z00096010 [1,1,0,0,0,0|1,0,0]=3 49 B5R0.2 C(CCN)CN A2Z00070215 [1,1,0,0,0,0|1,0,1]=4 50 B5R0.2 CCCCCBr A2Z00093550 [1,1,0,0,0,0|1,0,1]=4 51 B5R0.2 CCCCNC A2Z00093457 [1,1,0,0,0,0|1,0,1]=4 52 B5R0.2 CCNCC=C A2Z00070010 [1,1,0,0,0,0|1,0,0]=3 53 B5R0.2 COCN=C=O A2Z00048845 [1,1,0,0,0,0|1,0,1]=4 54 B7R0.2 CC(=O)CC(=O)OC A2Z00093511 [0,2,0,0,0,0|1,0,1]=4 55 B7R0.2 CC(C)NC(=O)CCl A2Z00099276 [0,2,0,0,0,0|1,0,0]=3 56 B7R0.2 CC(CN(C)C)CO A2Z00097647 [0,2,0,0,0,0|2,0,0]=4 57 B7R0.2 CC(CO)NC(=O)C A2Z00047992 [0,2,0,0,0,0|1,0,0]=3 58 B7R0.2 CCC(CC(=O)O)N A2Z00050458 [0,2,0,0,0,0|1,0,0]=3 59 B7R0.2 COC(=O)CC(=O)Cl A2Z00050191 [0,2,0,0,0,0|1,0,1]=4 60 B7R0.3 CC(CO)NCCO A2Z00049562 [0,2,0,0,0,0|0,0,2]=4 61 B7R0.3 COC(=O)CNC=O A2Z00096713 [0,2,0,0,0,0|1,0,1]=4 62 B7R0.5 CC(C)C(CCN)O A2Z00049172 [0,2,0,0,0,0|1,0,1]=4 63 B7R0.11 CC(C)(CC#N)CO A2Z00096173 [0,2,0,0,0,0|1,0,1]=4 64 B7R0.11 CC(C)(CN)COC A2Z00096012 [0,2,0,0,0,0|2,0,0]=4 65 B7R0.11 CC(C)(COC)C#N A2Z00096011 [0,2,0,0,0,0|2,0,0]=4 66 B7R0.9 CC(C)(C)NC(=O)N A2Z00097411 [0,2,0,0,0,0|1,0,0]=3 67 B7R0.9 CC(C)(CN(C)C)O A2Z00048057 [0,2,0,0,0,0|2,0,0]=4 68 B7R0.9 CC(C)NS(=O)(=O)Cl A2Z00048836 [0,2,0,0,0,0|2,0,0]=4 69 B7R0.16 CC(C)C(=C)C(=O)O A2Z00049593 [0,2,0,0,0,0|0,0,1]=3 70 B7R0.4 CC(C)CCCCN A2Z00049525 [0,2,0,0,0,0|1,0,1]=4 71 B7R0.4 CC(C)CCCNC A2Z00049564 [0,2,0,0,0,0|1,0,1]=4 72 B7R0.4 CC(C)CCN=C=O A2Z00046539 [0,2,0,0,0,0|0,0,1]=3 73 B7R0.6 CC(=O)\C=C\N(C)C A2Z00096534 [0,2,0,0,0,0|1,0,1]=4 74 B7R0.6 CC(C)COC(=O)Cl A2Z00093541 [0,2,0,0,0,0|0,0,0]=2 75 B7R0.6 CC(C)SCC(=O)O A2Z00055812 [0,2,0,0,0,0|0,0,0]=2 76 B7R0.6 CN(C)CCC(=O)O A2Z00094718 [0,2,0,0,0,0|1,0,0]=3 77 B7R0.6 CN(C)\C=C\[N+](=O)[O-] A2Z00096569 [0,2,0,0,0,0|1,0,1]=4 78 B7R0.8 CC(C)(C)CCCN A2Z00047846 [0,2,0,0,0,0|1,0,1]=4 79 B5R1.2 C1C(CN1)O A2Z00050204 [1,0,0,1,0,0|2,0,0]=4 80 B5R1.2 C1C(CO1)O A2Z00096297 [1,0,0,1,0,0|1,0,1]=4 81 B5R1.3 C1C(O1)CCl A2Z00093491 [1,0,0,1,0,0|2,0,0]=4 82 B5R1.1 C1CCNC1 A2Z00093483 [1,0,0,1,0,0|1,0,1]=4 83 B5R1.1 C1COC=C1 A2Z00050496 [1,0,0,1,0,0|0,0,2]=4 84 B7R1.1 C1CCC(C1)CN A2Z00046187 [0,1,0,1,0,0|1,0,1]=4 85 B7R1.1 COC1CCNC1 A2Z00074154 [0,1,0,1,0,0|1,0,1]=4 86 B7R1.2 C1CC(=O)OC1O A2Z00096558 [0,1,0,1,0,0|2,0,0]=4 87 B7R1.2 CC1=CC(=O)CC1 A2Z00096078 [0,1,0,1,0,0|0,0,2]=4 88 B7R1.2 CC1CNC(=O)O1 A2Z00096651 [0,1,0,1,0,0|1,0,0]=3 89 B7R1.3 CC1CCCNC1 A2Z00093496 [0,1,0,1,0,0|1,0,1]=4 90 B7R1.3 CC1CCNCC1 A2Z00093494 [0,1,0,1,0,0|1,0,1]=4 91 B7R1.3 CC1CNCCO1 A2Z00047116 [0,1,0,1,0,0|1,0,1]=4 92 B7R1.3 CC1COCCN1 A2Z00047114 [0,1,0,1,0,0|0,0,2]=4 93 B7R1.6 C1CC(C1)N=C=O A2Z00049542 [0,1,0,1,0,0|1,0,1]=4 94 B7R1.7 C1CC1NCCO A2Z00070038 [0,1,0,1,0,0|0,0,2]=4 95 B7R2.13 C1C2C1CNC2 A2Z00050358 [0,0,0,2,0,0|1,0,1]=4