0 B5R0.2 C#CCCCN 3533-5-03 [0,0,0,0,0,0|2,0,2]=4 1 B5R0.2 C=CCNC#N 3337-1-04 [0,0,0,0,0,0|4,0,0]=4 2 B5R0.2 CC#CCCBr 1500-9-01 [0,0,0,0,0,0|2,0,2]=4 3 B5R0.2 CCO\C=C/Br 2307-9-01 [0,0,0,0,0,0|3,0,1]=4 4 B5R0.2 CNCCSC 7166-5-02 [0,0,0,0,0,0|2,0,0]=2 5 B5R0.2 FCCCCF 1100-3-44 [0,0,0,0,0,0|3,0,1]=4 6 B5R0.2 NCCCCCl 3130-5-07 [0,0,0,0,0,0|3,0,1]=4 7 B4R0.2 C=CCNC 3331-1-01 [1,0,0,0,0,0|1,0,1]=3 8 B6R0.1 C=CC[C@@H](N)CO 4356-5-R0 [0,1,0,0,0,0|3,0,0]=4 9 B6R0.1 C=CC[C@H](N)CO 4356-5-S0 [0,1,0,0,0,0|3,0,0]=4 10 B6R0.1 CCC(C)CNC 3131-5-05 [0,1,0,0,0,0|2,0,1]=4 11 B6R0.4 C=CCCC(C)Br 1300-9-21 [0,1,0,0,0,0|2,0,0]=3 12 B6R0.4 CC(C)CCON 4147-5-07 [0,1,0,0,0,0|3,0,0]=4 13 B6R0.4 CN(C)CCCBr 3132-9-02 [0,1,0,0,0,0|2,0,1]=4 14 B6R0.6 CCNCCOC 4156-1-3Q [0,1,0,0,0,0|1,1,1]=4 15 B6R1.2 C[C@H]1CCCN1 3H31-1-S2 [0,0,0,1,0,0|2,0,1]=4 16 B6R1.2 I[C@H]1CCOC1 2H10-H-S1 [0,0,0,1,0,0|1,1,1]=4 17 B6R1.2 O=C1CCNN1 4H48-5-FV [0,0,0,1,0,0|2,0,0]=3 18 B6R1.3 BrCCC1CC1 1200-9-18 [0,0,0,1,0,0|2,0,1]=4 19 B6R1.3 NOCC1CC1 4247-5-00 [0,0,0,1,0,0|3,0,0]=4 20 B6R1.6 BrCC1COC1 2H10-9-43 [0,0,0,1,0,0|1,1,1]=4 21 B6R1.6 C#CC1CNC1 3H31-5-9Q [0,0,0,1,0,0|2,0,1]=4 22 B6R1.6 CNC1COC1 4H31-1-07 [0,0,0,1,0,0|2,1,0]=4 23 B6R1.6 FCC1CNC1 3H31-7-3V [0,0,0,1,0,0|2,0,1]=4 24 B6R1.6 ICC1COC1 2H10-H-09 [0,0,0,1,0,0|1,1,1]=4 25 B6R1.6 N#CC1CNC1 3H37-1-2B [0,0,0,1,0,0|2,0,1]=4 26 B6R1.6 NCC1COC1 4H56-1-79 [0,0,0,1,0,0|1,1,1]=4 27 B6R1.6 NNC1CCC1 3239-5-02 [0,0,0,1,0,0|3,0,0]=4 28 B6R1.6 O=CC1COC1 2H15-1-22 [0,0,0,1,0,0|0,1,0]=2 29 B6R1.6 OCC1CSC1 6H66-1-64 [0,0,0,1,0,0|0,0,2]=3 30 B3R0.1 C\C=C\F 1300-3-PX [2,0,0,0,0,0|1,0,1]=4 31 B5R0.1 C=CCC(C)N 3230-5-0A [1,1,0,0,0,0|1,0,0]=3 32 B5R0.1 NCCC(N)=O 4148-5-0C [1,1,0,0,0,0|1,0,0]=3 33 B5R0.3 CN[C@@H](C)CO 4156-5-S1 [1,1,0,0,0,0|1,0,1]=4 34 B7R0.2 CC(CCl)CC(=O)Cl 2116-5-20 [0,2,0,0,0,0|2,0,0]=4 35 B7R0.5 CC(CCCl)C(=O)Cl 2116-5-21 [0,2,0,0,0,0|2,0,0]=4 36 B7R0.5 CCCC(C)C(C)=O 2117-1-0J [0,2,0,0,0,0|1,0,0]=3 37 B7R0.5 NCCC(F)C(=O)O 4157-3-06 [0,2,0,0,0,0|2,0,0]=4 38 B7R0.4 CNCCOC(C)=O 4133-5-03 [0,2,0,0,0,0|1,0,0]=3 39 B7R0.4 O=C(Cl)OCCCF 2123-7-29 [0,2,0,0,0,0|2,0,0]=4 40 B7R0.4 O=C(O)CCCCO 2120-1-00 [0,2,0,0,0,0|1,0,0]=3 41 B7R0.1 CCCCSCCO 6166-1-0L [0,2,0,0,0,0|1,0,1]=4 42 B5R1.2 CC1CCN1 3H31-5-4U [1,0,0,1,0,0|1,0,1]=4 43 B5R1.2 IC1CCC1 1200-H-02 [1,0,0,1,0,0|1,0,1]=4 44 B5R1.2 SC1COC1 6H61-1-01 [1,0,0,1,0,0|0,2,0]=4 45 B5R1.3 C=C[C@H]1CO1 2109-1-S0 [1,0,0,1,0,0|0,1,1]=4 46 B5R1.3 ICC1CO1 2109-H-01 [1,0,0,1,0,0|1,1,0]=4 47 B7R1.2 CC1COC(=O)N1 4H56-1-0P2 [0,1,0,1,0,0|2,0,0]=4 48 B7R1.2 NC1CNC(=O)C1 4H48-1-6A [0,1,0,1,0,0|2,0,0]=4 49 B7R1.2 N[C@@H]1CNC(=O)C1 4H48-5-S0 [0,1,0,1,0,0|2,0,0]=4 50 B7R1.3 CN1CC=CCC1 3H33-5-1E [0,1,0,1,0,0|2,0,0]=4 51 B7R1.4 O=C1CCCC1Br 2215-9-00 [0,1,0,1,0,0|1,0,0]=3 52 B7R1.4 O=C1OCC[C@@H]1O 2H29-1-S0 [0,1,0,1,0,0|2,0,0]=4 53 B7R1.6 C=CCC1CNC1 4H22-3-12 [0,1,0,1,0,0|2,0,0]=4 54 B7R1.8 O=C1CCC1CO 2220-1-06 [0,1,0,1,0,0|1,0,0]=3 55 B7R1.10 COC1CC(=O)C1 2217-1-0B [0,1,0,1,0,0|0,1,0]=3 56 B7R1.10 O=C1CC(CCl)C1 2217-5-07 [0,1,0,1,0,0|2,0,0]=4 57 B7R1.12 CC1CC1C(N)=O 4248-1-12 [0,1,0,1,0,0|1,0,0]=3 58 B7R1.12 C[C@@H]1C[C@H]1C(=O)O 2221-1-31 [0,1,0,1,0,0|1,0,0]=3 59 B7R1.12 C[C@H]1C[C@@H]1C(=O)O 2221-1-12 [0,1,0,1,0,0|1,0,0]=3 60 B7R1.14 N=S1(=O)CCCC1 8H69-1-3T [0,1,0,1,0,0|2,0,0]=4 61 B7R1.17 CC1(C)CCC1=O 2217-1-0L [0,1,0,1,0,0|1,0,0]=3 62 B7R1.18 NC(=O)C1CCN1 4H48-5-2R [0,1,0,1,0,0|2,0,0]=4 63 B7R1.18 O=C(O)C1CCO1 2H21-1-68 [0,1,0,1,0,0|2,0,0]=4 64 B7R1.18 O=C(O)C1CSC1 6H66-1-63 [0,1,0,1,0,0|0,0,0]=2 65 B7R1.20 NC(=S)CC1CC1 7267-1-05 [0,1,0,1,0,0|1,1,0]=4 66 B7R1.24 C1=CCCNCC1 3H31-5-9D [0,1,0,1,0,0|2,0,0]=4