0 B7R1.4 CC1CNCC1N DA-39111 [0,0,0,0,0,0|3,0,1]=4 1 B7R1.4 Cc1c(=O)[nH]sn1 DA-39175 [0,0,0,0,0,0|3,0,1]=4 2 B7R1.4 Cn1c(=O)cns1 DA-25966 [0,0,0,0,0,0|2,0,1]=3 3 B6R1.2 CC1=NNCC1 DA-22085 [1,0,0,0,0,0|3,0,0]=4 4 B6R1.2 c1c(=O)[nH]sn1 DA-30345 [1,0,0,0,0,0|2,0,1]=4 5 B8R1.11 CCC1C(CCN1)N DA-26252 [0,1,0,0,0,0|2,0,1]=4 6 B8R1.18 CC1C(=O)SC(=S)N1 DA-39130 [0,1,0,0,0,0|2,0,1]=4 7 B8R1.18 CN1CC(CC1=O)N DA-21489 [0,1,0,0,0,0|2,0,0]=3 8 B8R1.19 CC1(C(CCO1)Cl)Cl DA-27432 [0,1,0,0,0,0|1,1,1]=4 9 B8R1.19 CC1(CCNC1=O)C DA-24797 [0,1,0,0,0,0|2,0,0]=3 10 B6R0.1 CC(CC=C)C=O DA-25871 [0,0,1,0,0,0|1,0,2]=4 11 B6R0.1 CC(CCO)C=C DA-23352 [0,0,1,0,0,0|3,0,0]=4 12 B6R0.1 CCC(C)CCCl DA-29559 [0,0,1,0,0,0|2,0,1]=4 13 B6R0.1 CCNC(=O)OC DA-41968 [0,0,1,0,0,0|3,0,0]=4 14 B6R0.1 CCNC(C)CO DA-27702 [0,0,1,0,0,0|1,0,2]=4 15 B6R0.1 CCOC(C)C=O DA-26268 [0,0,1,0,0,0|0,1,0]=2 16 B6R0.1 COC(=O)CC#C DA-23882 [0,0,1,0,0,0|2,0,1]=4 17 B6R0.3 CC(C(=O)OC)I DA-32957 [0,0,1,0,0,0|2,0,0]=3 18 B6R0.3 CCC(C(=O)N)Cl DA-26397 [0,0,1,0,0,0|3,0,0]=4 19 B6R0.3 CCC(C)C(C)N DA-23377 [0,0,1,0,0,0|2,0,1]=4 20 B6R0.6 CCCOCC=O DA-25689 [0,0,1,0,0,0|2,0,0]=3 21 B6R0.6 CCNCCOC DA-42706 [0,0,1,0,0,0|3,0,0]=4 22 B6R0.6 CCOCCNC DA-26269 [0,0,1,0,0,0|2,1,0]=4 23 B6R0.6 COCOCC=O DA-27663 [0,0,1,0,0,0|3,0,0]=4 24 B6R1.4 CC1CNC1=O DA-23380 [0,0,0,0,1,0|1,0,0]=2 25 B8R1.4 CC1=CC(CCC1)Cl DA-23862 [0,0,0,0,0,1|3,0,0]=4 26 B8R1.4 CC1CCCC(=O)O1 DA-41276 [0,0,0,0,0,1|1,0,0]=2 27 B8R1.4 CN1CCCC(=O)C1 DA-29192 [0,0,0,0,0,1|2,0,0]=3 28 B8R1.4 C[C@@H]1CCC[C@@H](N1)C DA-34973 [0,0,0,0,0,1|2,0,1]=4 29 B8R1.5 C1COCC(=O)N1N DA-21437 [0,0,0,0,0,1|3,0,0]=4 30 B8R1.5 C1COCC(C1=O)O DA-41566 [0,0,0,0,0,1|1,1,0]=3 31 B8R1.5 CC1=CCCCC1Br DA-42500 [0,0,0,0,0,1|3,0,0]=4 32 B8R1.5 CC1C(=O)NCCO1 DA-25909 [0,0,0,0,0,1|0,1,0]=2 33 B8R1.5 CC1COCCC1=O DA-46235 [0,0,0,0,0,1|0,1,0]=2 34 B8R1.5 CN1CCNCC1=O DA-29215 [0,0,0,0,0,1|2,0,0]=3 35 B5R0.1 CC(=O)CCN DA-21357 [1,0,1,0,0,0|1,0,0]=3 36 B5R0.1 CCCC(C)N DA-25725 [1,0,1,0,0,0|1,0,1]=4 37 B5R0.2 CNCCC=C DA-42589 [1,0,1,0,0,0|2,0,0]=4 38 B5R0.2 CNCCSC DA-39999 [1,0,1,0,0,0|2,0,0]=4 39 B5R0.3 CN(C=O)OC DA-42814 [1,0,1,0,0,0|1,1,0]=4 40 B5R0.5 CC(C)C(=N)N DA-25790 [1,0,1,0,0,0|2,0,0]=4 41 B7R0.2 CC(C)CC(=O)CBr DA-29611 [0,1,1,0,0,0|2,0,0]=4 42 B7R0.3 C(CC(=O)CBr)CCl DA-29610 [0,1,1,0,0,0|2,0,0]=4 43 B7R0.3 C(CNC(=O)CBr)N DA-31826 [0,1,1,0,0,0|2,0,0]=4 44 B7R0.3 CCCOC(=O)CBr DA-42657 [0,1,1,0,0,0|2,0,0]=4 45 B7R0.3 CNCCC(=O)NC DA-42263 [0,1,1,0,0,0|2,0,0]=4 46 B7R0.3 COC(=O)CCC=C DA-41292 [0,1,1,0,0,0|2,0,0]=4 47 B7R0.3 COC(=O)NCCN DA-33027 [0,1,1,0,0,0|2,0,0]=4 48 B7R0.5 CCCN(C)C(=O)Cl DA-42245 [0,1,1,0,0,0|2,0,0]=4 49 B7R0.5 CN(C)C(=O)CCCl DA-23719 [0,1,1,0,0,0|2,0,0]=4 50 B7R0.7 CCOC(=O)CC#C DA-23883 [0,1,1,0,0,0|1,0,1]=4 51 B7R0.7 COCC(=O)CC#N DA-39210 [0,1,1,0,0,0|1,0,1]=4 52 B7R0.16 CC(C)C(=O)C(C)Br DA-26835 [0,1,1,0,0,0|1,0,0]=3 53 B7R0.1 COCOCCC=O DA-25586 [0,1,1,0,0,0|0,1,0]=3 54 B7R1.1 C1C=C(CS1)C=O DA-27203 [1,1,0,0,0,0|0,0,1]=3 55 B7R1.1 C1CC=C(C1)CBr DA-30681 [1,1,0,0,0,0|1,0,1]=4 56 B7R1.1 C1COC(O1)CO DA-30497 [1,1,0,0,0,0|1,1,0]=4 57 B7R1.1 C1CSCC1C=O DA-48034 [1,1,0,0,0,0|0,0,1]=3 58 B7R1.1 CNC1CCCC1 DA-41441 [1,1,0,0,0,0|1,0,1]=4 59 B7R1.1 COC1CCCC1 DA-34934 [1,1,0,0,0,0|1,0,1]=4 60 B7R1.2 C1C(C=CC1=O)O DA-39357 [1,1,0,0,0,0|1,0,1]=4 61 B7R1.2 CC1CC(=O)NN1 DA-37107 [1,1,0,0,0,0|2,0,0]=4 62 B7R1.14 CC1(NCCO1)C DA-27473 [1,1,0,0,0,0|1,1,0]=4 63 B9R1.2 C1CC(CC(=O)C1)CCl DA-24944 [0,1,0,0,0,1|1,0,0]=3 64 B9R1.2 CCC1CCNC(=O)C1 DA-39441 [0,1,0,0,0,1|2,0,0]=4 65 B9R1.2 COC1CCCC(=O)C1 DA-23429 [0,1,0,0,0,1|1,0,0]=3 66 B9R1.3 CC1CCNC(=O)C1Br DA-24009 [0,1,0,0,0,1|2,0,0]=4 67 B9R1.34 CC1CC(=O)CC(S1)C DA-43128 [0,1,0,0,0,1|0,0,0]=2 68 B9R1.34 CC1CC(NC(=O)C1)C DA-21896 [0,1,0,0,0,1|1,0,0]=3 69 B9R1.66 CC1(CC(=O)CCN1)C DA-27481 [0,1,0,0,0,1|1,0,0]=3 70 B9R1.66 CC1(CC(=O)CCN1)C DA-27482 [0,1,0,0,0,1|1,0,0]=3 71 B9R1.15 C1CCC(=O)C(C1)CO DA-28975 [0,1,0,0,0,1|1,0,0]=3 72 B9R1.15 CCC1C(=O)NCCN1 DA-23643 [0,1,0,0,0,1|1,0,0]=3 73 B9R1.40 C1CC(C(=O)NC1)(Cl)Cl DA-24835 [0,1,0,0,0,1|2,0,0]=4 74 B9R1.40 CC1(C(=O)NCCN1)C DA-24788 [0,1,0,0,0,1|1,0,0]=3 75 B9R1.40 CC1(CNCCC1=O)C DA-24796 [0,1,0,0,0,1|1,0,0]=3 76 B9R1.27 C1CC(=O)N(C1=O)CO DA-30622 [0,2,0,0,0,0|2,0,0]=4 77 B9R1.33 C1CC(=O)N(C1)CC=O DA-25739 [0,2,0,0,0,0|2,0,0]=4 78 B9R1.41 CC1CCCN1C(=O)Cl DA-25946 [0,2,0,0,0,0|2,0,0]=4 79 B7R1.3 C=C1CCOCC1 DA-42620 [0,0,1,1,0,0|1,1,0]=4 80 B7R1.25 CC1(CCC1)C=O DA-29144 [0,0,1,1,0,0|1,0,0]=3 81 B7R1.12 CC1CC1C(=O)N DA-25804 [0,0,1,1,0,0|2,0,0]=4 82 B7R1.19 CC(=O)C1(CC1)C DA-31600 [0,0,1,1,0,0|1,0,0]=3 83 B7R1.7 C1CC1CCC=O DA-34928 [0,0,1,1,0,0|1,0,0]=3 84 B5R1.2 C1COC1N DA-25746 [1,0,0,0,1,0|1,1,0]=4 85 B9R1.49 C1CC(CCC(=O)C1)O DA-23103 [0,0,0,0,0,2|2,0,0]=4