0 B6R1.2 CC1=NNCC1 DA-22085 [0,0,0,0,0,0|3,0,1]=4 1 B7R1.1 C1CC(NC1)C#N DA-25679 [0,1,0,0,0,0|2,0,0]=3 2 B7R1.1 C1CC=C(C1)CBr DA-30681 [0,1,0,0,0,0|1,0,2]=4 3 B7R1.1 C1COC(O1)CO DA-30497 [0,1,0,0,0,0|2,1,0]=4 4 B7R1.1 C1CSCC1C=O DA-48034 [0,1,0,0,0,0|1,1,0]=3 5 B7R1.1 CNC1CCCC1 DA-41441 [0,1,0,0,0,0|1,0,0]=2 6 B7R1.1 COC1CCC=N1 DA-24737 [0,1,0,0,0,0|1,1,1]=4 7 B7R1.1 COC1CCCC1 DA-34934 [0,1,0,0,0,0|0,1,0]=2 8 B7R1.1 CSC1=NCCC1 DA-24719 [0,1,0,0,0,0|1,0,1]=3 9 B7R1.4 C1[C@H]([C@H](CN1)O)O DA-34970 [0,1,0,0,0,0|1,1,0]=3 10 B7R1.4 CC1CNCC1N DA-39111 [0,1,0,0,0,0|2,0,0]=3 11 B7R1.14 CC1(CCOC1)O DA-41808 [0,1,0,0,0,0|1,1,0]=3 12 B7R1.14 CC1(NCCO1)C DA-27473 [0,1,0,0,0,0|3,0,0]=4 13 B5R0.1 C(CO)C(N)O DA-29834 [0,0,1,0,0,0|2,1,0]=4 14 B5R0.1 CC#CC(C)O DA-23259 [0,0,1,0,0,0|0,1,2]=4 15 B5R0.1 CC(=O)CCN DA-21357 [0,0,1,0,0,0|1,1,1]=4 16 B5R0.1 CC(C)CC#C DA-39164 [0,0,1,0,0,0|1,0,2]=4 17 B5R0.1 CCCC(C)N DA-25725 [0,0,1,0,0,0|1,0,0]=2 18 B5R0.2 C(CCBr)CN DA-21372 [0,0,1,0,0,0|2,0,0]=3 19 B5R0.2 CNCCC=C DA-42589 [0,0,1,0,0,0|2,0,1]=4 20 B5R0.2 CNCCCBr DA-25561 [0,0,1,0,0,0|2,0,0]=3 21 B5R0.2 CNCCCBr DA-42177 [0,0,1,0,0,0|2,0,0]=3 22 B5R0.2 CNCCSC DA-39999 [0,0,1,0,0,0|3,0,0]=4 23 B5R0.3 CCC(CN)N DA-30336 [0,0,1,0,0,0|2,0,0]=3 24 B5R1.2 C1COC1N DA-25746 [0,0,0,0,1,0|2,0,0]=3 25 B7R1.3 C1C=CC(CO1)O DA-42425 [0,0,0,0,0,1|0,1,2]=4 26 B7R1.3 C1CC(=COC1)Br DA-37788 [0,0,0,0,0,1|1,0,2]=4 27 B7R1.3 C1CC=CC(C1)N DA-26341 [0,0,0,0,0,1|1,0,1]=3 28 B7R1.3 C1COCC=C1Br DA-39895 [0,0,0,0,0,1|1,0,2]=4 29 B7R1.3 C=C1CCOCC1 DA-42620 [0,0,0,0,0,1|1,0,1]=3 30 B7R1.3 CC1CCOCC1 DA-42393 [0,0,0,0,0,1|1,0,0]=2 31 B4R0.2 C(CF)CI DA-31704 [1,0,1,0,0,0|2,0,0]=4 32 B4R0.2 CSCCI DA-47993 [1,0,1,0,0,0|2,0,0]=4 33 B6R0.1 CC(CCO)C=C DA-23352 [0,1,1,0,0,0|2,0,0]=4 34 B6R0.1 CCC(C)CCCl DA-29559 [0,1,1,0,0,0|2,0,0]=4 35 B6R0.1 CCNC(C)CO DA-27702 [0,1,1,0,0,0|1,1,0]=4 36 B6R0.1 CCOC(C)C=O DA-26268 [0,1,1,0,0,0|1,1,0]=4 37 B6R0.1 COCC(CBr)O DA-29655 [0,1,1,0,0,0|1,1,0]=4 38 B6R0.2 CC(CN(C)C)N DA-46451 [0,1,1,0,0,0|2,0,0]=4 39 B6R0.3 CC(C)C(CN)N DA-23404 [0,1,1,0,0,0|2,0,0]=4 40 B6R0.3 CCC(C)C(C)N DA-23377 [0,1,1,0,0,0|1,0,0]=3 41 B6R0.4 CC(C)CCCCl DA-29542 [0,1,1,0,0,0|1,0,0]=3 42 B6R0.4 CC(C)NCCCl DA-41865 [0,1,1,0,0,0|2,0,0]=4 43 B6R0.5 CC(C)(CCO)N DA-25577 [0,1,1,0,0,0|2,0,0]=4 44 B6R0.6 C(COCCI)O DA-28616 [0,1,1,0,0,0|1,1,0]=4 45 B6R0.6 CCCOCC=O DA-25689 [0,1,1,0,0,0|0,1,1]=4 46 B6R0.6 CCC[Sn+2]CCC DA-34908 [0,1,1,0,0,0|1,0,0]=3 47 B6R0.6 CCNCCOC DA-42706 [0,1,1,0,0,0|1,1,0]=4 48 B6R0.6 CCOCCNC DA-26269 [0,1,1,0,0,0|2,0,0]=4 49 B6R1.5 C1C(CC1N)N DA-30289 [0,1,0,0,1,0|1,0,0]=3 50 B6R1.6 C1CC(C1)CCl DA-31839 [0,1,0,0,1,0|1,0,0]=3 51 B6R1.6 CNC1CCC1 DA-42717 [0,1,0,0,1,0|1,0,0]=3 52 B6R1.10 CC1(CCC1)O DA-29143 [0,1,0,0,1,0|0,1,0]=3 53 B8R1.2 C1C(COCO1)C=O DA-30247 [0,1,0,0,0,1|1,1,0]=4 54 B8R1.2 C1CC(CSC1)C=O DA-41962 [0,1,0,0,0,1|0,1,0]=3 55 B8R1.2 C1CSCCC1CN DA-31834 [0,1,0,0,0,1|1,0,0]=3 56 B8R1.2 C=NN1CCSCC1 DA-47493 [0,1,0,0,0,1|2,0,0]=4 57 B8R1.3 CC1=CCC(CC1)N DA-42007 [0,1,0,0,0,1|1,0,1]=4 58 B8R1.3 CC1CCN(CC1)O DA-29314 [0,1,0,0,0,1|1,0,0]=3 59 B8R1.4 C1C(COCC1O)N DA-45315 [0,1,0,0,0,1|0,1,0]=3 60 B8R1.4 C1CC(CC(C1)O)N DA-24178 [0,1,0,0,0,1|0,1,0]=3 61 B8R1.4 CC1=CC(CCC1)Cl DA-23862 [0,1,0,0,0,1|1,0,1]=4 62 B8R1.4 CC1CCCC(=O)O1 DA-41276 [0,1,0,0,0,1|0,1,1]=4 63 B8R1.4 CN1CCCC(=O)C1 DA-29192 [0,1,0,0,0,1|0,1,1]=4 64 B8R1.4 CN1CCC[C@H](C1)N DA-32015 [0,1,0,0,0,1|1,0,0]=3 65 B8R1.4 C[C@@H]1CCC[C@@H](N1)C DA-34973 [0,1,0,0,0,1|1,0,0]=3 66 B8R1.4 C[C@@H]1C[C@@H](CNC1)C DA-34969 [0,1,0,0,0,1|1,0,0]=3 67 B8R1.5 C1COCC(C1=O)O DA-41566 [0,1,0,0,0,1|0,1,1]=4 68 B8R1.5 CC1=CCCCC1Br DA-42500 [0,1,0,0,0,1|1,0,1]=4 69 B8R1.5 CC1COCCC1=O DA-46235 [0,1,0,0,0,1|0,1,1]=4 70 B8R1.72 CC1(CCCOC1)O DA-42642 [0,1,0,0,0,1|0,1,0]=3 71 B8R1.1 CC1CCC(O1)CN DA-41589 [0,2,0,0,0,0|2,0,0]=4 72 B8R1.7 C1CC(NC1)C(=O)Cl DA-41821 [0,2,0,0,0,0|1,1,0]=4 73 B8R1.7 C1CC(SC1)C(=O)Cl DA-41850 [0,2,0,0,0,0|1,1,0]=4 74 B8R1.7 C1COCC1C(=O)N DA-41026 [0,2,0,0,0,0|1,1,0]=4 75 B8R1.7 CC(=O)C1CCOC1 DA-30524 [0,2,0,0,0,0|1,1,0]=4 76 B8R1.7 CC(C1CCNC1)O DA-30568 [0,2,0,0,0,0|1,1,0]=4 77 B8R1.8 C1CCC(C1)CCCl DA-32115 [0,2,0,0,0,0|1,0,0]=3 78 B8R1.8 COCC1CCNC1 DA-24872 [0,2,0,0,0,0|1,1,0]=4 79 B8R1.11 CCC1C(CCN1)N DA-26252 [0,2,0,0,0,0|2,0,0]=4 80 B8R1.52 C#CC1(CCOC1)O DA-23616 [0,2,0,0,0,0|1,1,0]=4 81 B8R1.52 C1CNCC1(CO)O DA-23563 [0,2,0,0,0,0|1,1,0]=4 82 B8R1.52 C1COCC1(CCl)O DA-44080 [0,2,0,0,0,0|1,1,0]=4 83 B8R1.52 C1CSCC1(C#N)N DA-24130 [0,2,0,0,0,0|2,0,0]=4 84 B8R1.52 CC1(CCCO1)C=O DA-41324 [0,2,0,0,0,0|1,1,0]=4 85 B8R1.52 CC1(CCCO1)CO DA-41290 [0,2,0,0,0,0|1,1,0]=4 86 B8R1.52 CCC1(CCCC1)N DA-47100 [0,2,0,0,0,0|1,0,0]=3 87 B8R1.51 CC1(CCC(=O)C1)C DA-24789 [0,2,0,0,0,0|0,1,1]=4 88 B8R1.51 CC1(CCC(C1)O)O DA-29251 [0,2,0,0,0,0|0,1,0]=3 89 B8R1.19 CC1(C(CCO1)Cl)Cl DA-27432 [0,2,0,0,0,0|2,0,0]=4 90 B6R1.3 C1CC1CCI DA-32105 [0,0,1,1,0,0|2,0,0]=4 91 B6R1.1 C1COCCN1 DA-42330 [0,0,1,1,0,0|1,1,0]=4 92 B6R1.7 C1CC1(CBr)N DA-30680 [0,0,1,1,0,0|2,0,0]=4 93 B6R1.7 C1CC1(CN)N DA-29818 [0,0,1,1,0,0|2,0,0]=4 94 B6R1.7 CC1(CC1)CN DA-29138 [0,0,1,1,0,0|2,0,0]=4 95 B8R2.18 C1C2C1CC(C2)O DA-35031 [0,0,0,1,0,1|0,1,0]=3 96 B8R2.22 C1CC2C1CNC2 DA-24125 [0,1,0,1,0,0|2,0,0]=4 97 B8R2.55 C1CC2(CC2)NC1 DA-23155 [0,1,0,1,0,0|2,0,0]=4 98 B4R1.1 C1OCS1 DA-30243 [1,0,0,0,1,0|2,0,0]=4 99 B4R1.2 C1C(O1)N DA-25745 [0,0,0,0,2,0|2,0,0]=4 100 B8R1.22 C1CNCC(=O)NC1 DA-30234 [0,0,0,0,0,2|0,1,1]=4 101 B8R1.22 C1COCCNC1=O DA-48241 [0,0,0,0,0,2|0,1,1]=4 102 B8R1.22 CC1CCNCCO1 DA-35898 [0,0,0,0,0,2|1,0,0]=3