0 B6R0.1 C#CC(=O)OCC ALBB-013040 [0,0,0,0,0,0|3,0,1]=4 1 B6R0.1 CCC(O)COC ALBB-025835 [0,0,0,0,0,0|1,1,2]=4 2 B6R0.1 CCCC(=O)NN ALBB-002745 [0,0,0,0,0,0|3,0,0]=3 3 B6R0.1 CCNC(=O)CCl ALBB-025903 [0,0,0,0,0,0|4,0,0]=4 4 B6R0.1 CNC(=O)CC#N ALBB-004139 [0,0,0,0,0,0|3,0,0]=3 5 B6R0.1 CNC(=O)CCCl ALBB-016142 [0,0,0,0,0,0|3,0,0]=3 6 B6R0.1 CNC(=O)CCN ALBB-017783 [0,0,0,0,0,0|3,0,0]=3 7 B6R0.1 CNC(=O)CCO ALBB-013463 [0,0,0,0,0,0|3,0,0]=3 8 B6R0.1 COC(=N)CCCl ALBB-033225 [0,0,0,0,0,0|3,0,0]=3 9 B6R0.1 COC(=N)CCO ALBB-033259 [0,0,0,0,0,0|3,0,0]=3 10 B6R0.1 COC(=O)CCN ALBB-013472 [0,0,0,0,0,0|2,0,0]=2 11 B6R0.1 COCC(=O)NN ALBB-002746 [0,0,0,0,0,0|2,1,0]=3 12 B6R0.1 CSC\C(N)=N\O ALBB-014804 [0,0,0,0,0,0|3,0,0]=3 13 B5R0.1 CCCC(=N)N ALBB-033963 [1,0,0,0,0,0|3,0,0]=4 14 B5R0.1 CCOC(C)=N ALBB-014832 [1,0,0,0,0,0|3,0,0]=4 15 B5R0.1 CNCC(C)=O ALBB-016173 [1,0,0,0,0,0|1,0,0]=2 16 B5R0.1 CNCC(C)O ALBB-012392 [1,0,0,0,0,0|1,0,2]=4 17 B5R0.2 CNCCOC ALBB-022357 [1,0,0,0,0,0|1,0,1]=3 18 B5R0.2 COCCCBr ALBB-030141 [1,0,0,0,0,0|2,0,1]=4 19 B5R0.3 C#CC(=O)OC ALBB-008926 [1,0,0,0,0,0|0,0,2]=3 20 B5R0.3 CCC(=N)OC ALBB-033213 [1,0,0,0,0,0|1,0,0]=2 21 B5R0.3 CCC(=O)NN ALBB-002743 [1,0,0,0,0,0|2,0,0]=3 22 B5R0.3 CCC(C)NC ALBB-013207 [1,0,0,0,0,0|2,0,1]=4 23 B5R0.3 CC\C(N)=N\O ALBB-012745 [1,0,0,0,0,0|3,0,0]=4 24 B5R0.3 CC\C(N)=N\O ALBB-012745 [1,0,0,0,0,0|3,0,0]=4 25 B5R0.3 CNC(=O)CCl ALBB-009489 [1,0,0,0,0,0|2,0,0]=3 26 B5R0.3 CNC(=O)CN ALBB-026423 [1,0,0,0,0,0|2,0,0]=3 27 B5R0.3 CNC(=O)CN ALBB-026423 [1,0,0,0,0,0|2,0,0]=3 28 B5R0.3 CNC(=O)CO ALBB-026669 [1,0,0,0,0,0|1,1,0]=3 29 B5R0.3 COC(=N)CCl ALBB-033135 [1,0,0,0,0,0|2,0,0]=3 30 B5R0.3 COC(=O)C#N ALBB-036369 [1,0,0,0,0,0|1,0,1]=3 31 B5R0.3 COC(=S)NN ALBB-027694 [1,0,0,0,0,0|2,1,0]=4 32 B5R0.3 CSC(=N)NN ALBB-025679 [1,0,0,0,0,0|3,0,0]=4 33 B5R0.3 NNC(=O)CO ALBB-016554 [1,0,0,0,0,0|2,1,0]=4 34 B7R0.2 CC(C)CC(=O)NN ALBB-002480 [0,1,0,0,0,0|3,0,0]=4 35 B7R0.2 CC(O)CC(=O)NN ALBB-002757 [0,1,0,0,0,0|3,0,0]=4 36 B7R0.2 COC(=N)CC(C)C ALBB-033293 [0,1,0,0,0,0|2,0,0]=3 37 B7R0.3 CCC(=O)NCCN ALBB-003777 [0,1,0,0,0,0|3,0,0]=4 38 B7R0.3 CCCCC(=O)NN ALBB-002479 [0,1,0,0,0,0|3,0,0]=4 39 B7R0.3 CCCNC(=O)CCl ALBB-013141 [0,1,0,0,0,0|3,0,0]=4 40 B7R0.3 CNC(=O)CCCCl ALBB-032165 [0,1,0,0,0,0|2,0,0]=3 41 B7R0.3 CNC(=O)CCCN ALBB-013585 [0,1,0,0,0,0|2,0,0]=3 42 B7R0.3 CNCCC(=O)NC ALBB-004145 [0,1,0,0,0,0|2,0,0]=3 43 B7R0.3 COCCC(=O)NN ALBB-034323 [0,1,0,0,0,0|2,1,0]=4 44 B7R0.3 NNC(=O)CCCO ALBB-010248 [0,1,0,0,0,0|3,0,0]=4 45 B7R0.5 CCNC(=O)C(C)Br ALBB-032028 [0,1,0,0,0,0|3,0,0]=4 46 B7R0.5 CCNC(=O)C(C)Cl ALBB-009554 [0,1,0,0,0,0|3,0,0]=4 47 B7R0.5 CN(C)C(=O)CC#N ALBB-014327 [0,1,0,0,0,0|3,0,0]=4 48 B7R0.5 CN(C)C(=O)CCCl ALBB-011968 [0,1,0,0,0,0|3,0,0]=4 49 B7R0.5 CN(C)C(=O)CCO ALBB-014310 [0,1,0,0,0,0|3,0,0]=4 50 B7R0.7 CCNC(=O)CC#N ALBB-023461 [0,1,0,0,0,0|3,0,0]=4 51 B7R0.7 CCNC(=O)CCCl ALBB-011970 [0,1,0,0,0,0|3,0,0]=4 52 B7R0.7 CCOC(=N)CCCl ALBB-003779 [0,1,0,0,0,0|3,0,0]=4 53 B7R0.7 CCOC(=N)CCO ALBB-033257 [0,1,0,0,0,0|3,0,0]=4 54 B7R0.7 CCOC(=O)CCO ALBB-013457 [0,1,0,0,0,0|2,0,0]=3 55 B7R0.7 CCOC(=O)CNN ALBB-008928 [0,1,0,0,0,0|2,0,0]=3 56 B7R0.7 CCOC(=O)CNN ALBB-008928 [0,1,0,0,0,0|2,0,0]=3 57 B7R0.7 CCOC(=O)N=C=S ALBB-035697 [0,1,0,0,0,0|3,0,0]=4 58 B7R0.7 CCOC(=O)NNC ALBB-035548 [0,1,0,0,0,0|2,0,0]=3 59 B7R0.10 CCC(C)C(=O)NN ALBB-016228 [0,1,0,0,0,0|3,0,0]=4 60 B7R0.10 COC(=O)C(=O)NN ALBB-014241 [0,1,0,0,0,0|2,0,1]=4 61 B7R0.10 COC(=O)C(N)C#N ALBB-033391 [0,1,0,0,0,0|2,0,0]=3 62 B7R0.10 COC(=O)C(O)CCl ALBB-023713 [0,1,0,0,0,0|2,0,0]=3 63 B7R0.10 COC(=O)\C(C)=C/Br ALBB-035093 [0,1,0,0,0,0|2,0,1]=4 64 B7R1.1 COC1=NCCC1 ALBB-021703 [0,0,0,1,0,0|2,0,0]=3 65 B7R1.3 O=C1CCOCC1 ALBB-008898 [0,0,0,1,0,0|3,0,0]=4 66 B7R1.3 O=C1CCSCC1 ALBB-006274 [0,0,0,1,0,0|3,0,0]=4 67 B7R1.3 O=C1CNCCN1 ALBB-012180 [0,0,0,1,0,0|2,0,0]=3 68 B7R1.3 O=C1CNCCN1 ALBB-012180 [0,0,0,1,0,0|2,0,0]=3 69 B7R1.22 NNC(=O)C1CC1 ALBB-002483 [0,0,0,1,0,0|3,0,0]=4 70 B4R0.1 CCS(=O)[O-] ALBB-026504 [2,0,0,0,0,0|1,0,1]=4 71 B4R0.1 COC(=S)[S-] ALBB-016495 [2,0,0,0,0,0|0,1,1]=4 72 B4R0.1 COC(C)=N ALBB-033133 [2,0,0,0,0,0|1,0,0]=3 73 B4R0.1 NC(=O)CO ALBB-031510 [2,0,0,0,0,0|1,1,0]=4 74 B4R0.2 CNCCO ALBB-012133 [2,0,0,0,0,0|1,0,1]=4 75 B4R0.2 COCCBr ALBB-030140 [2,0,0,0,0,0|1,0,1]=4 76 B4R0.2 CSCCCl ALBB-014067 [2,0,0,0,0,0|1,0,1]=4 77 B4R0.2 CSCCN ALBB-013381 [2,0,0,0,0,0|1,0,1]=4 78 B6R0.2 CC(N)CC(=O)O ALBB-014344 [1,1,0,0,0,0|1,0,0]=3 79 B6R0.3 CC(CN)C(=O)O ALBB-026586 [1,1,0,0,0,0|2,0,0]=4 80 B6R0.3 CCC(N)C(=O)O ALBB-016221 [1,1,0,0,0,0|1,0,0]=3 81 B6R0.3 CNC(C)C(=O)O ALBB-021461 [1,1,0,0,0,0|1,0,0]=3 82 B6R0.3 CSC(C)C(=O)O ALBB-005886 [1,1,0,0,0,0|0,0,0]=2 83 B6R0.3 C\C=C(/Br)C(=O)O ALBB-031546 [1,1,0,0,0,0|1,0,1]=4 84 B6R0.3 NCC(O)C(=O)O ALBB-031572 [1,1,0,0,0,0|2,0,0]=4 85 B6R0.4 CCNCC(=O)O ALBB-034584 [1,1,0,0,0,0|1,0,0]=3 86 B6R0.4 CCSCC(=O)O ALBB-004310 [1,1,0,0,0,0|0,0,0]=2 87 B6R0.4 CSCCC(=N)N ALBB-016455 [1,1,0,0,0,0|2,0,0]=4 88 B8R0.2 CCC(Br)C(=O)N(C)C ALBB-014844 [0,2,0,0,0,0|2,0,0]=4 89 B8R0.2 CCC(N)C(=O)N(C)C ALBB-016226 [0,2,0,0,0,0|2,0,0]=4 90 B8R0.2 CCC(N)C(=O)N(C)C ALBB-016226 [0,2,0,0,0,0|2,0,0]=4 91 B8R0.2 CNC(C)C(=O)N(C)C ALBB-005665 [0,2,0,0,0,0|2,0,0]=4 92 B8R0.2 COC(=O)C(=O)C(C)C ALBB-022759 [0,2,0,0,0,0|1,0,1]=4 93 B8R0.5 CCOC(=N)CC(C)C ALBB-033297 [0,2,0,0,0,0|2,0,0]=4 94 B8R0.5 CNCC(=O)NC(C)C ALBB-006992 [0,2,0,0,0,0|2,0,0]=4 95 B8R0.5 CNCC(=O)NC(C)C ALBB-006992 [0,2,0,0,0,0|2,0,0]=4 96 B8R0.23 CC(C)CC(=O)N(C)C ALBB-017748 [0,2,0,0,0,0|2,0,0]=4 97 B8R0.1 CCCNC(=O)CNC ALBB-006996 [0,2,0,0,0,0|2,0,0]=4 98 B8R0.1 CCCOC(=O)CCO ALBB-027341 [0,2,0,0,0,0|2,0,0]=4 99 B8R0.1 CCOC(=N)CCCCl ALBB-003778 [0,2,0,0,0,0|2,0,0]=4 100 B8R0.1 CCOC(=O)CCC#N ALBB-016432 [0,2,0,0,0,0|1,0,1]=4 101 B8R0.1 CCOC(=O)CNC=O ALBB-028027 [0,2,0,0,0,0|1,0,1]=4 102 B8R0.1 CC\C=C\C(=O)OCC ALBB-032753 [0,2,0,0,0,0|1,0,1]=4 103 B8R0.3 CCCC(N)C(=O)NC ALBB-016225 [0,2,0,0,0,0|2,0,0]=4 104 B8R0.3 CCCC(N)C(=O)OC ALBB-016213 [0,2,0,0,0,0|1,0,0]=3 105 B8R0.3 CCOC(=O)C(N)CC ALBB-025857 [0,2,0,0,0,0|1,0,0]=3 106 B8R0.3 COC(=O)C(C)N=C=S ALBB-014378 [0,2,0,0,0,0|1,0,1]=4 107 B8R0.6 COC(=O)CCN=C=O ALBB-006777 [0,2,0,0,0,0|1,0,1]=4 108 B8R0.6 COCCCC(=O)OC ALBB-022325 [0,2,0,0,0,0|0,1,0]=3 109 B8R0.8 CCCNC(=O)C(C)Br ALBB-032032 [0,2,0,0,0,0|2,0,0]=4 110 B8R0.8 CCCNC(=O)C(C)Cl ALBB-009551 [0,2,0,0,0,0|2,0,0]=4 111 B8R0.8 CN(C)C(=O)CCCCl ALBB-012354 [0,2,0,0,0,0|2,0,0]=4 112 B8R0.9 CCC(=O)COC(C)=O ALBB-031528 [0,2,0,0,0,0|1,1,0]=4 113 B8R0.9 COC(=O)CCC(=O)Cl ALBB-006318 [0,2,0,0,0,0|1,0,1]=4 114 B8R0.20 CCC(NC)C(=O)OC ALBB-018697 [0,2,0,0,0,0|1,0,0]=3 115 B8R1.1 O=C1CC(CO)CN1 ALBB-010167 [0,1,0,1,0,0|2,0,0]=4 116 B8R1.4 O=C1COCC(=O)O1 ALBB-035717 [0,1,0,1,0,0|0,1,1]=4 117 B8R1.5 CC1CNCCC1=O ALBB-030108 [0,1,0,1,0,0|2,0,0]=4 118 B8R1.5 CC1SCCNC1=O ALBB-022396 [0,1,0,1,0,0|1,0,0]=3 119 B8R1.5 CN1CCCNC1=O ALBB-012830 [0,1,0,1,0,0|2,0,0]=4 120 B8R1.5 NC1CCCNC1=O ALBB-003929 [0,1,0,1,0,0|2,0,0]=4 121 B8R1.5 NC1CCCNC1=O ALBB-003929 [0,1,0,1,0,0|2,0,0]=4 122 B8R1.22 O=C1CCOCCN1 ALBB-033952 [0,1,0,1,0,0|1,1,0]=4 123 B8R1.38 COC(=O)C1CCC1 ALBB-015049 [0,1,0,1,0,0|1,0,0]=3 124 B8R1.11 CCC1CCCC1=O ALBB-014713 [0,1,0,1,0,0|2,0,0]=4