0 B7R1.3 C1CC(=O)CNC1 A2Z00096272 [0,0,0,0,0,0|3,0,1]=4 1 B7R1.3 C1CC=CC(=O)C1 A2Z00096058 [0,0,0,0,0,0|2,0,2]=4 2 B7R1.3 C1CCC(CC1)N A2Z00093495 [0,0,0,0,0,0|2,0,0]=2 3 B7R1.3 C1COCCC1=O A2Z00096060 [0,0,0,0,0,0|3,0,1]=4 4 B7R1.3 C1CSCCC1=O A2Z00050190 [0,0,0,0,0,0|3,0,1]=4 5 B7R1.3 CC1CCCNC1 A2Z00093496 [0,0,0,0,0,0|2,0,0]=2 6 B7R1.3 CC1CCNCC1 A2Z00093494 [0,0,0,0,0,0|2,0,0]=2 7 B7R1.3 CC1CNCCO1 A2Z00047116 [0,0,0,0,0,0|2,0,0]=2 8 B7R1.3 CC1COCCN1 A2Z00047114 [0,0,0,0,0,0|1,0,0]=1 9 B6R1.1 C1CC=COC1 A2Z00050188 [1,0,0,0,0,0|1,0,2]=4 10 B6R1.1 C1CNCCN1 A2Z00093489 [1,0,0,0,0,0|1,0,0]=2 11 B8R1.2 C1CC(CNC1)CO A2Z00049972 [0,1,0,0,0,0|2,0,0]=3 12 B8R1.2 C1CNC(CN1)CO A2Z00062231 [0,1,0,0,0,0|1,0,0]=2 13 B8R1.2 C1CNCCC1C#N A2Z00094290 [0,1,0,0,0,0|2,0,1]=4 14 B8R1.2 C1COCC(N1)CO A2Z00050206 [0,1,0,0,0,0|1,0,0]=2 15 B8R1.2 C1COCCC1CO A2Z00094827 [0,1,0,0,0,0|2,0,0]=3 16 B8R1.2 CCC1CCCCN1 A2Z00093507 [0,1,0,0,0,0|0,0,0]=1 17 B8R1.3 CC1CCC(CC1)O A2Z00093509 [0,1,0,0,0,0|1,0,0]=2 18 B8R1.4 C1CNC(=O)CC1=O A2Z00096248 [0,1,0,0,0,0|1,0,2]=4 19 B8R1.4 CC1CCCC(C1)O A2Z00093510 [0,1,0,0,0,0|1,0,0]=2 20 B8R1.4 CC1CCCC(N1)C A2Z00093508 [0,1,0,0,0,0|0,0,0]=1 21 B8R1.4 CC1CNCC(O1)C A2Z00093443 [0,1,0,0,0,0|2,0,0]=3 22 B8R1.4 CC1COCC(N1)C A2Z00047115 [0,1,0,0,0,0|1,0,0]=2 23 B8R1.5 C1COC(C(O1)Cl)Cl A2Z00094136 [0,1,0,0,0,0|3,0,0]=4 24 B8R1.5 CC1CCCCC1=O A2Z00038642 [0,1,0,0,0,0|1,0,0]=2 25 B8R1.72 CC1(CNCCO1)C A2Z00047117 [0,1,0,0,0,0|2,0,0]=3 26 B8R1.72 CC1(COCCN1)C A2Z00044910 [0,1,0,0,0,0|1,0,0]=2 27 B6R0.1 CCC(C)N=C=O A2Z00046535 [0,0,1,0,0,0|1,0,2]=4 28 B6R0.1 CCN(C)CCO A2Z00049387 [0,0,1,0,0,0|3,0,0]=4 29 B6R0.4 C(CC(=O)N)CCl A2Z00070345 [0,0,1,0,0,0|2,0,1]=4 30 B6R0.4 CC(=O)CCCCl A2Z00094593 [0,0,1,0,0,0|2,0,1]=4 31 B6R0.4 CC(C)OCCN A2Z00047141 [0,0,1,0,0,0|2,0,0]=3 32 B6R0.4 CCCNC(C)C A2Z00048056 [0,0,1,0,0,0|0,0,0]=1 33 B6R0.4 CN(C)CCCCl A2Z00093595 [0,0,1,0,0,0|3,0,0]=4 34 B6R0.6 C(CCl)NCCCl A2Z00068903 [0,0,1,0,0,0|3,0,0]=4 35 B6R0.6 C(CI)OCCI A2Z00095388 [0,0,1,0,0,0|3,0,0]=4 36 B6R0.6 C(COCCCl)N A2Z00070360 [0,0,1,0,0,0|2,0,0]=3 37 B6R0.6 C(COCCF)O A2Z00049591 [0,0,1,0,0,0|3,0,0]=4 38 B6R0.6 CCCCCCBr A2Z00093564 [0,0,1,0,0,0|1,0,0]=2 39 B6R0.6 CCCCCCI A2Z00093584 [0,0,1,0,0,0|1,0,0]=2 40 B6R0.6 CCCCCCO A2Z00093499 [0,0,1,0,0,0|1,0,0]=2 41 B6R0.6 COCCCCN A2Z00047139 [0,0,1,0,0,0|1,0,0]=2 42 B8R2.11 CC1C2C1CNC2 A2Z00096271 [0,0,0,1,0,0|2,0,0]=3 43 B8R2.38 C1C2C1C(=O)NC2 A2Z00050425 [0,0,0,1,0,0|1,0,1]=3 44 B6R1.2 C1CC(=N)NC1 A2Z00096075 [0,0,0,0,1,0|1,0,1]=3 45 B6R1.2 C1CC(=O)OC1 A2Z00038638 [0,0,0,0,1,0|2,0,1]=4 46 B6R1.2 C1CCC(C1)N A2Z00093486 [0,0,0,0,1,0|1,0,0]=2 47 B6R1.2 C1CCC(C1)O A2Z00093488 [0,0,0,0,1,0|1,0,0]=2 48 B6R1.2 C1CNCC1=O A2Z00050357 [0,0,0,0,1,0|2,0,1]=4 49 B6R1.2 C1COC(=O)N1 A2Z00096076 [0,0,0,0,1,0|2,0,1]=4 50 B8R1.22 C1CC(=O)CCNC1 A2Z00096298 [0,0,0,0,0,1|2,0,1]=4 51 B8R1.22 CC1CCCNCC1 A2Z00096454 [0,0,0,0,0,1|1,0,0]=2 52 B5R0.1 CC(C)CCBr A2Z00093551 [1,0,1,0,0,0|1,0,0]=3 53 B5R0.1 CC(C)C[N+]#[C-] A2Z00050390 [1,0,1,0,0,0|1,0,1]=4 54 B5R0.1 CN(C)CCCl A2Z00093594 [1,0,1,0,0,0|2,0,0]=4 55 B5R0.2 C(CCN)CN A2Z00070215 [1,0,1,0,0,0|1,0,0]=3 56 B5R0.2 CCCCCBr A2Z00093550 [1,0,1,0,0,0|1,0,0]=3 57 B5R0.2 CCCCNC A2Z00093457 [1,0,1,0,0,0|0,0,0]=2 58 B5R0.2 CCNCC=C A2Z00070010 [1,0,1,0,0,0|0,0,2]=4 59 B5R0.3 CCN(CC)N A2Z00049169 [1,0,1,0,0,0|2,0,0]=4 60 B7R0.2 CC(CO)NC(=O)C A2Z00047992 [0,1,1,0,0,0|1,0,1]=4 61 B7R0.3 CC(CO)NCCO A2Z00049562 [0,1,1,0,0,0|1,0,0]=3 62 B7R0.7 CCNC(=O)OCC A2Z00095021 [0,1,1,0,0,0|1,0,1]=4 63 B7R0.4 CC(=O)NCCCN A2Z00047088 [0,1,1,0,0,0|1,0,1]=4 64 B7R0.4 CC(=O)NCCCO A2Z00061529 [0,1,1,0,0,0|1,0,1]=4 65 B7R0.4 CC(C)CCCCN A2Z00049525 [0,1,1,0,0,0|1,0,0]=3 66 B7R0.4 CC(C)CCCNC A2Z00049564 [0,1,1,0,0,0|1,0,0]=3 67 B7R0.8 CC(C)(C)CCCN A2Z00047846 [0,1,1,0,0,0|2,0,0]=4 68 B7R0.1 C(CCCO)CCN A2Z00096548 [0,1,1,0,0,0|0,0,0]=2 69 B7R0.1 C(CNCCO)CO A2Z00094835 [0,1,1,0,0,0|1,0,0]=3 70 B7R1.1 C1CC(OC1)CCl A2Z00093513 [0,1,0,0,1,0|1,0,0]=3 71 B7R1.1 C1CC(OC1)CN A2Z00093497 [0,1,0,0,1,0|1,0,0]=3 72 B7R1.1 C1CC(OC1)CO A2Z00093498 [0,1,0,0,1,0|1,0,0]=3 73 B7R1.1 C1CCC(C1)CN A2Z00046187 [0,1,0,0,1,0|0,0,0]=2 74 B7R1.1 CCC1CCCN1 A2Z00094741 [0,1,0,0,1,0|0,0,0]=2 75 B7R1.1 COC1CCNC1 A2Z00074154 [0,1,0,0,1,0|1,0,0]=3 76 B7R1.4 C1CC(C(C1)O)N A2Z00095968 [0,1,0,0,1,0|1,0,0]=3 77 B7R1.14 C1CNCC1(F)F A2Z00096290 [0,1,0,0,1,0|2,0,0]=4 78 B9R1.1 CNC1CCN(CC1)C A2Z00093528 [0,2,0,0,0,0|2,0,0]=4 79 B9R1.6 C1CCC(CC1)C(=O)O A2Z00093527 [0,2,0,0,0,0|1,0,1]=4 80 B9R1.6 CC(=O)C1CCNCC1 A2Z00096432 [0,2,0,0,0,0|2,0,0]=4 81 B9R1.6 CC(C1CCNCC1)O A2Z00095925 [0,2,0,0,0,0|2,0,0]=4 82 B9R1.8 C1CCN(CC1)CCCl A2Z00049389 [0,2,0,0,0,0|2,0,0]=4 83 B9R1.8 C1COCC(N1)CCO A2Z00096439 [0,2,0,0,0,0|1,0,0]=3 84 B9R1.8 C1COCCC1CCN A2Z00095944 [0,2,0,0,0,0|2,0,0]=4 85 B9R1.8 C1COCCC1CCO A2Z00096236 [0,2,0,0,0,0|2,0,0]=4 86 B9R1.8 COCC1COCCN1 A2Z00096443 [0,2,0,0,0,0|1,0,0]=3 87 B9R1.10 CC1(OCC(CO1)O)C A2Z00050342 [0,2,0,0,0,0|2,0,0]=4 88 B9R1.10 CC1CNC(CO1)(C)C A2Z00044911 [0,2,0,0,0,0|1,0,0]=3 89 B9R1.3 CC1CNCC(N1C)C A2Z00046422 [0,2,0,0,0,0|1,0,0]=3 90 B9R1.66 CC1(COCC(=O)N1)C A2Z00046113 [0,2,0,0,0,0|1,0,1]=4 91 B9R1.40 CC1(C(=O)OCCN1)C A2Z00044907 [0,2,0,0,0,0|1,0,1]=4 92 B7R1.7 C1CC1NCCO A2Z00070038 [0,0,1,1,0,0|1,0,0]=3 93 B7R1.24 C1CCCNCC1 A2Z00093493 [0,0,1,1,0,0|0,0,0]=2 94 B7R2.13 C1C2C1CNC2 A2Z00050358 [1,0,0,1,0,0|0,0,0]=2 95 B9R2.39 C1C2CC(C1C=C2)N A2Z00050426 [0,1,0,1,0,0|1,0,1]=4 96 B5R1.1 C1CCNC1 A2Z00093483 [1,0,0,0,1,0|0,0,0]=2 97 B5R1.2 C1C(CN1)O A2Z00050204 [0,0,0,0,2,0|2,0,0]=4 98 B5R1.2 C1C(CO1)O A2Z00096297 [0,0,0,0,2,0|2,0,0]=4