0 B6R1.2 C1CC(=N)NC1 A2Z00096075 [0,0,0,0,0,0|3,0,0]=3 1 B6R1.2 C1CC(=O)C=C1 A2Z00096072 [0,0,0,0,0,0|1,0,1]=2 2 B6R1.2 C1CC(=O)OC1 A2Z00038638 [0,0,0,0,0,0|2,0,0]=2 3 B6R1.2 C1CCC(C1)N A2Z00093486 [0,0,0,0,0,0|2,0,1]=3 4 B6R1.2 C1CCC(C1)O A2Z00093488 [0,0,0,0,0,0|1,0,2]=3 5 B6R1.2 C1CNCC1=O A2Z00050357 [0,0,0,0,0,0|1,0,0]=1 6 B6R1.2 C1COC(=O)N1 A2Z00096076 [0,0,0,0,0,0|3,0,0]=3 7 B6R1.2 C1CSC(=N1)N A2Z00096171 [0,0,0,0,0,0|4,0,0]=4 8 B6R1.2 Cc1cscn1 A2Z00097343 [0,0,0,0,0,0|2,0,2]=4 9 B5R1.1 C1CCNC1 A2Z00093483 [1,0,0,0,0,0|1,0,1]=3 10 B5R1.1 C1COC=C1 A2Z00050496 [1,0,0,0,0,0|0,1,1]=3 11 B7R1.1 C1CCC(C1)CN A2Z00046187 [0,1,0,0,0,0|2,0,1]=4 12 B7R1.1 COC1CCNC1 A2Z00074154 [0,1,0,0,0,0|1,0,2]=4 13 B7R1.1 c1cscc1C=O A2Z00050189 [0,1,0,0,0,0|0,0,3]=4 14 B7R1.2 C1C(=O)N=C(S1)N A2Z00096085 [0,1,0,0,0,0|1,0,1]=3 15 B7R1.2 C1C(=O)N=C(S1)O A2Z00096716 [0,1,0,0,0,0|1,0,1]=3 16 B7R1.2 C1C(=O)NC(=N)S1 A2Z00096693 [0,1,0,0,0,0|1,0,1]=3 17 B7R1.2 C1C(=O)NC(=O)S1 A2Z00014660 [0,1,0,0,0,0|1,0,1]=3 18 B7R1.2 C1CC(=O)OC1O A2Z00096558 [0,1,0,0,0,0|2,0,0]=3 19 B7R1.2 CC1=CC(=O)CC1 A2Z00096078 [0,1,0,0,0,0|1,0,1]=3 20 B7R1.2 CC1CNC(=O)O1 A2Z00096651 [0,1,0,0,0,0|3,0,0]=4 21 B7R1.4 C1CC(C(C1)O)N A2Z00095968 [0,1,0,0,0,0|1,0,2]=4 22 B7R1.14 C1CNCC1(F)F A2Z00096290 [0,1,0,0,0,0|2,0,1]=4 23 B5R0.1 C(C#N)C(=O)N A2Z00096074 [0,0,1,0,0,0|2,0,1]=4 24 B5R0.1 C(C#N)C(=O)O A2Z00093469 [0,0,1,0,0,0|2,0,1]=4 25 B5R0.1 C(CBr)C(=O)N A2Z00070352 [0,0,1,0,0,0|2,0,0]=3 26 B5R0.1 CC(=O)CCN A2Z00069826 [0,0,1,0,0,0|1,0,0]=2 27 B5R0.1 CC(C)CCBr A2Z00093551 [0,0,1,0,0,0|2,0,1]=4 28 B5R0.1 CCCC(=O)O A2Z00093490 [0,0,1,0,0,0|2,0,0]=3 29 B5R0.1 CN(C)CCCl A2Z00093594 [0,0,1,0,0,0|3,0,0]=4 30 B5R0.1 CNCC(=O)O A2Z00095987 [0,0,1,0,0,0|2,0,0]=3 31 B5R0.1 COCC(=O)Cl A2Z00094312 [0,0,1,0,0,0|1,1,0]=3 32 B5R0.1 CSCC(=N)N A2Z00074300 [0,0,1,0,0,0|2,0,0]=3 33 B5R0.2 CCCCCBr A2Z00093550 [0,0,1,0,0,0|2,0,1]=4 34 B5R0.2 CCCCNC A2Z00093457 [0,0,1,0,0,0|2,0,1]=4 35 B5R0.2 CCNCC=C A2Z00070010 [0,0,1,0,0,0|2,0,0]=3 36 B5R0.2 COCN=C=O A2Z00048845 [0,0,1,0,0,0|1,1,1]=4 37 B5R0.3 C(C(=O)C=O)O A2Z00050060 [0,0,1,0,0,0|1,1,1]=4 38 B5R0.3 CCN(CC)N A2Z00049169 [0,0,1,0,0,0|3,0,0]=4 39 B5R0.3 COC(=O)C#N A2Z00050483 [0,0,1,0,0,0|2,0,1]=4 40 B5R0.3 COC(=O)C=C A2Z00093487 [0,0,1,0,0,0|2,0,1]=4 41 B5R0.3 COC(=O)CI A2Z00098171 [0,0,1,0,0,0|2,0,0]=3 42 B7R2.13 C1C2C1CNC2 A2Z00050358 [0,0,0,1,0,0|2,0,1]=4 43 B5R1.2 C1C(=O)CO1 A2Z00096164 [0,0,0,0,1,0|0,1,0]=2 44 B5R1.2 C1C(CN1)O A2Z00050204 [0,0,0,0,1,0|1,0,2]=4 45 B5R1.2 C1C(CO1)O A2Z00096297 [0,0,0,0,1,0|0,1,2]=4 46 B7R1.3 C1C(=O)NC=CS1 A2Z00069307 [0,0,0,0,0,1|0,0,2]=3 47 B7R1.3 C1CC(=O)CNC1 A2Z00096272 [0,0,0,0,0,1|1,0,0]=2 48 B7R1.3 C1CC=CC(=O)C1 A2Z00096058 [0,0,0,0,0,1|1,0,1]=3 49 B7R1.3 C1CCC(CC1)N A2Z00093495 [0,0,0,0,0,1|2,0,1]=4 50 B7R1.3 C1COCCC1=O A2Z00096060 [0,0,0,0,0,1|0,1,0]=2 51 B7R1.3 C1CSCCC1=O A2Z00050190 [0,0,0,0,0,1|0,0,0]=1 52 B7R1.3 CC1CCCNC1 A2Z00093496 [0,0,0,0,0,1|2,0,1]=4 53 B7R1.3 CC1CCNCC1 A2Z00093494 [0,0,0,0,0,1|2,0,1]=4 54 B7R1.3 CC1CNCCO1 A2Z00047116 [0,0,0,0,0,1|2,0,1]=4 55 B7R1.3 CC1COCCN1 A2Z00047114 [0,0,0,0,0,1|1,1,1]=4 56 B4R0.1 C(C(=O)Cl)Cl A2Z00093506 [1,0,1,0,0,0|2,0,0]=4 57 B4R0.1 CC(=O)CO A2Z00094832 [1,0,1,0,0,0|0,1,0]=3 58 B4R0.1 CCC(=O)N A2Z00097941 [1,0,1,0,0,0|1,0,0]=3 59 B4R0.1 COC(=O)Cl A2Z00093492 [1,0,1,0,0,0|1,1,0]=4 60 B4R0.2 C(CS)C#N A2Z00070143 [1,0,1,0,0,0|1,0,1]=4 61 B4R0.2 CCCCBr A2Z00093542 [1,0,1,0,0,0|1,0,1]=4 62 B4R0.2 CCCCN A2Z00093484 [1,0,1,0,0,0|1,0,1]=4 63 B4R0.2 CNCCCl A2Z00094137 [1,0,1,0,0,0|2,0,0]=4 64 B6R0.1 CCOC(=O)CBr A2Z00093566 [0,1,1,0,0,0|2,0,0]=4 65 B6R0.1 CNC(=O)CON A2Z00070422 [0,1,1,0,0,0|1,1,0]=4 66 B6R0.1 COC(=O)CCS A2Z00096087 [0,1,1,0,0,0|0,0,0]=2 67 B6R0.1 COC(=O)C[N+]#[C-] A2Z00096250 [0,1,1,0,0,0|1,0,1]=4 68 B6R0.3 C(C(C(=O)N)N)O A2Z00085566 [0,1,1,0,0,0|1,1,0]=4 69 B6R0.3 C(C(C(=O)O)N)O A2Z00096658 [0,1,1,0,0,0|1,1,0]=4 70 B6R0.4 C(CC(=O)N)CCl A2Z00070345 [0,1,1,0,0,0|2,0,0]=4 71 B6R0.4 CC(=O)CCCCl A2Z00094593 [0,1,1,0,0,0|1,0,0]=3 72 B6R0.4 CC(=O)OCC#C A2Z00096305 [0,1,1,0,0,0|1,0,1]=4 73 B6R0.4 CC(=O)OCCBr A2Z00098196 [0,1,1,0,0,0|1,0,0]=3 74 B6R0.4 CC(=O)\C=C\OC A2Z00096533 [0,1,1,0,0,0|0,1,1]=4 75 B6R0.5 CS(=O)(=O)CCN A2Z00048059 [0,1,1,0,0,0|2,0,0]=4 76 B6R0.6 COCCN=C=O A2Z00046536 [0,1,1,0,0,0|0,1,1]=4 77 B8R1.4 C1CNC(=O)CC1=O A2Z00096248 [0,1,0,0,0,1|1,0,0]=3 78 B8R1.5 CC1CCCCC1=O A2Z00038642 [0,1,0,0,0,1|1,0,0]=3 79 B8R1.1 C1C(CNC1=O)CN A2Z00096245 [0,2,0,0,0,0|2,0,0]=4 80 B8R1.1 C1C(CNC1=O)CO A2Z00050383 [0,2,0,0,0,0|2,0,0]=4 81 B8R1.7 C1CNCC1C(=O)O A2Z00096244 [0,2,0,0,0,0|1,0,1]=4 82 B8R1.51 C1CS(=O)(=O)CC1N A2Z00061299 [0,2,0,0,0,0|2,0,0]=4 83 B8R1.51 C1CS(=O)(=O)CC1O A2Z00061321 [0,2,0,0,0,0|2,0,0]=4 84 B8R1.51 CC1(CC(=O)OC1)C A2Z00096652 [0,2,0,0,0,0|2,0,0]=4 85 B8R1.51 CC1(CCC(=O)C1)C A2Z00096352 [0,2,0,0,0,0|1,0,0]=3 86 B8R1.19 CC1(C(=O)CCN1)C A2Z00050354 [0,2,0,0,0,0|1,0,0]=3 87 B6R1.11 C1CC1C(=O)Cl A2Z00095908 [0,0,1,1,0,0|2,0,0]=4 88 B8R2.38 C1C2C1C(=O)NC2 A2Z00050425 [0,0,0,1,0,1|1,0,0]=3 89 B8R1.22 C1CC(=O)CCNC1 A2Z00096298 [0,0,0,0,0,2|1,0,0]=3