0 B5R0.2 C#CCCCN F2147-1023 [0,0,0,0,0,0|1,0,1]=2 1 B5R0.2 C#CCCNC F1913-0949 [0,0,0,0,0,0|2,0,1]=3 2 B5R0.2 C=CCCNC F1911-1847 [0,0,0,0,0,0|2,0,1]=3 3 B4R0.2 C#CCCI F8886-7611 [1,0,0,0,0,0|1,0,2]=4 4 B4R0.2 NOCCO F8881-5119 [1,0,0,0,0,0|1,1,0]=3 5 B6R0.1 CCC(C)CNC F8889-4114 [0,1,0,0,0,0|2,0,0]=3 6 B6R0.1 CCS(=O)CCN F2147-1018 [0,1,0,0,0,0|2,0,0]=3 7 B6R0.1 COCC(N)CO F8888-1239 [0,1,0,0,0,0|1,1,0]=3 8 B6R0.4 C=C(C)CCCBr F1913-0542 [0,1,0,0,0,0|2,0,0]=3 9 B6R0.4 C=C(C)CCCO F1913-0541 [0,1,0,0,0,0|2,0,0]=3 10 B6R0.4 CC(C)NCCCl F2147-1524 [0,1,0,0,0,0|3,0,0]=4 11 B6R0.4 CCCNC(C)C F8889-6089 [0,1,0,0,0,0|3,0,0]=4 12 B6R0.4 CCNCC(C)C F8880-2710 [0,1,0,0,0,0|3,0,0]=4 13 B6R0.4 CCOCC(C)N F2167-3742 [0,1,0,0,0,0|2,0,0]=3 14 B6R0.6 CCCCN=[N+]=[N-] F1901-3137 [0,1,0,0,0,0|2,0,1]=4 15 B6R0.6 CCOCCNC F8880-1014 [0,1,0,0,0,0|2,0,0]=3 16 B6R0.6 COCCCNN F8887-6111 [0,1,0,0,0,0|0,1,0]=2 17 B6R1.2 NC1CCSC1 F2147-1613 [0,0,0,1,0,0|0,0,0]=1 18 B6R1.3 CCNC1CC1 F8889-2389 [0,0,0,1,0,0|3,0,0]=4 19 B6R1.3 NNCC1CC1 F8881-7483 [0,0,0,1,0,0|2,0,0]=3 20 B6R1.3 NOCC1CC1 F8885-6337 [0,0,0,1,0,0|2,0,0]=3 21 B6R1.6 CCC1CNC1 F8881-5075 [0,0,0,1,0,0|2,0,0]=3 22 B5R0.1 CC(O)CC#N F1913-2479 [1,1,0,0,0,0|0,0,2]=4 23 B5R0.1 CC(O)CCN F8880-3625 [1,1,0,0,0,0|0,0,0]=2 24 B5R0.1 CNCC(N)=O F8880-4275 [1,1,0,0,0,0|1,0,1]=4 25 B5R0.1 COCC(N)=O F1913-0020 [1,1,0,0,0,0|0,1,1]=4 26 B5R0.3 CCC(Cl)C#N F8880-4664 [1,1,0,0,0,0|0,0,2]=4 27 B5R0.3 COC(C)CN F3377-0028 [1,1,0,0,0,0|0,1,0]=3 28 B7R0.3 CCCCC(O)CN F2189-0851 [0,2,0,0,0,0|1,0,0]=3 29 B7R0.3 COC(=O)NCCN F8882-3539 [0,2,0,0,0,0|0,1,1]=4 30 B7R0.10 CCN(C)C(C)CN F2186-0114 [0,2,0,0,0,0|2,0,0]=4 31 B7R0.11 CCC(C)(C)CNC F8886-6876 [0,2,0,0,0,0|2,0,0]=4 32 B7R0.12 CCC(CC)CNC F1911-1751 [0,2,0,0,0,0|2,0,0]=4 33 B7R0.4 CC(=O)NCCCN F8888-5285 [0,2,0,0,0,0|1,0,0]=3 34 B7R0.4 CC(C)COCCN F2167-3704 [0,2,0,0,0,0|1,0,0]=3 35 B7R0.4 CCCCNC(C)C F1911-1667 [0,2,0,0,0,0|2,0,0]=4 36 B7R0.4 CCNCCC(C)C F1911-1772 [0,2,0,0,0,0|2,0,0]=4 37 B7R0.8 CC(C)(C)OCCN F2147-1401 [0,2,0,0,0,0|2,0,0]=4 38 B7R0.8 CNCCC(C)(C)C F8883-2000 [0,2,0,0,0,0|2,0,0]=4 39 B7R0.8 CS(=O)(=O)CCCBr F8881-7268 [0,2,0,0,0,0|1,0,1]=4 40 B7R0.1 CCNCCOCC F8880-0814 [0,2,0,0,0,0|1,1,0]=4 41 B5R1.2 CC1CCN1 F8888-7636 [1,0,0,1,0,0|0,0,0]=2 42 B5R1.2 NC1CSC1 F1907-0861 [1,0,0,1,0,0|0,0,0]=2 43 B7R1.1 C#CC1CCCN1 F2147-2043 [0,1,0,1,0,0|1,0,1]=4 44 B7R1.1 C#CC1CCCN1 F2167-2863 [0,1,0,1,0,0|1,0,1]=4 45 B7R1.1 C=CC1CCNC1 F2167-8027 [0,1,0,1,0,0|1,0,1]=4 46 B7R1.1 CCC1CCCN1 F8880-6440 [0,1,0,1,0,0|1,0,0]=3 47 B7R1.1 CCC1CCCN1 F8888-3269 [0,1,0,1,0,0|1,0,0]=3 48 B7R1.1 CCC1CCNC1 F8881-7172 [0,1,0,1,0,0|1,0,0]=3 49 B7R1.1 CCC1CCNC1 F8887-6136 [0,1,0,1,0,0|1,0,0]=3 50 B7R1.1 CNC1CCOC1 F1906-0103 [0,1,0,1,0,0|0,1,0]=3 51 B7R1.1 CNC1CCSC1 F2158-1845 [0,1,0,1,0,0|0,0,0]=2 52 B7R1.1 N#CC1CCNC1 F1907-0845 [0,1,0,1,0,0|1,0,1]=4 53 B7R1.1 NOC1CCCC1 F1913-1612 [0,1,0,1,0,0|1,0,0]=3 54 B7R1.1 OC[C@H]1CCCO1 F0001-2349 [0,1,0,1,0,0|2,0,0]=4 55 B7R1.2 CC1CCC(C)N1 F2124-0275 [0,1,0,1,0,0|1,0,0]=3 56 B7R1.2 NC1CNC(=O)C1 F2158-1004 [0,1,0,1,0,0|1,0,1]=4 57 B7R1.2 NN1CCC(F)C1 F1907-4438 [0,1,0,1,0,0|2,0,0]=4 58 B7R1.3 NC1=NCCSC1 F2155-0023 [0,1,0,1,0,0|0,0,1]=3 59 B7R1.4 CC1CCCC1N F8888-6869 [0,1,0,1,0,0|1,0,0]=3 60 B7R1.4 OC1CNCC1F F2167-4338 [0,1,0,1,0,0|2,0,0]=4 61 B7R1.6 CCSC1CNC1 F2147-1202 [0,1,0,1,0,0|2,0,0]=4 62 B7R1.6 N#CCC1CNC1 F2158-1595 [0,1,0,1,0,0|1,0,1]=4 63 B7R1.6 NNCC1CCC1 F1904-0041 [0,1,0,1,0,0|1,0,0]=3 64 B7R1.6 OCCN1CCC1 F1904-0065 [0,1,0,1,0,0|2,0,0]=4 65 B7R1.10 C=C1CC(CN)C1 F2147-8211 [0,1,0,1,0,0|1,0,0]=3 66 B7R1.10 CC1CC(CO)C1 F1913-0298 [0,1,0,1,0,0|2,0,0]=4 67 B7R1.10 COC1CN(N)C1 F1907-5025 [0,1,0,1,0,0|1,1,0]=4 68 B7R1.10 CO[C@H]1C[C@H](N)C1 F1913-1435 [0,1,0,1,0,0|0,1,0]=3 69 B7R1.10 NCC1CC(O)C1 F2147-4238 [0,1,0,1,0,0|1,0,0]=3 70 B7R1.10 NN1CC(CF)C1 F1907-5374 [0,1,0,1,0,0|2,0,0]=4 71 B7R1.10 NN1CC(CO)C1 F1907-4887 [0,1,0,1,0,0|2,0,0]=4 72 B7R1.25 CC1(CN)CCC1 F8888-3506 [0,1,0,1,0,0|1,0,0]=3 73 B7R1.25 NCC1(O)COC1 F2147-8619 [0,1,0,1,0,0|0,1,0]=3 74 B7R1.25 OCC1(F)CNC1 F2167-4375 [0,1,0,1,0,0|2,0,0]=4 75 B7R1.7 CCNCC1CC1 F2158-1939 [0,1,0,1,0,0|2,0,0]=4 76 B7R1.7 ClCCOC1CC1 F2167-2679 [0,1,0,1,0,0|2,0,0]=4 77 B7R1.14 CC1(C)CCNC1 F2148-0037 [0,1,0,1,0,0|2,0,0]=4 78 B7R1.23 CC1(C)CC1CN F8887-5285 [0,1,0,1,0,0|1,0,0]=3 79 B7R1.23 CC1(C)CC1CO F2147-2574 [0,1,0,1,0,0|2,0,0]=4 80 B7R1.23 NCC1CC1(Cl)Cl F2124-0445 [0,1,0,1,0,0|2,0,0]=4 81 B7R1.23 NCC1CC1(F)F F2147-3886 [0,1,0,1,0,0|2,0,0]=4 82 B7R1.23 NCC1CC1(F)F F8880-5480 [0,1,0,1,0,0|2,0,0]=4 83 B7R1.24 C1CNCCOC1 F1905-6472 [0,1,0,1,0,0|0,1,0]=3