0 B9R1.6 CC(=O)C1=CC=CC=N1 4H17-1-Z0 [0,0,0,0,0,0|1,0,3]=4 1 B9R1.6 CC(=O)C1=CC=CN=C1 4H17-1-Y1 [0,0,0,0,0,0|2,0,2]=4 2 B9R1.6 CC(=O)C1=CC=NC=N1 4H17-1-35 [0,0,0,0,0,0|2,0,2]=4 3 B9R1.6 CC(=O)C1=CC=NN=C1 4H56-1-390 [0,0,0,0,0,0|3,0,1]=4 4 B9R1.6 CC(=O)C1=CNCCC1 4H17-1-2M [0,0,0,0,0,0|2,0,0]=2 5 B9R1.6 CC(=O)C1CCCCC1 2217-1-X2 [0,0,0,0,0,0|2,0,2]=4 6 B9R1.6 CC(=O)C1CCCCN1 4H17-1-9U [0,0,0,0,0,0|1,0,2]=3 7 B9R1.6 CC(=O)C1CCCNC1 4H17-5-3L [0,0,0,0,0,0|2,0,2]=4 8 B9R1.6 CC(=O)N1CCCCC1 4H48-1-0A1 [0,0,0,0,0,0|3,0,1]=4 9 B9R1.6 NC(=O)C1=CNCCC1 4H48-1-6Q [0,0,0,0,0,0|3,0,0]=3 10 B9R1.6 NC(=O)C1CCCCN1 4H48-1-01R [0,0,0,0,0,0|2,0,2]=4 11 B9R1.6 O=C(O)C1=CCCCO1 2H21-1-0W [0,0,0,0,0,0|3,0,0]=3 12 B9R1.6 O=C(O)C1CCCSC1 6H66-1-41 [0,0,0,0,0,0|2,0,2]=4 13 B9R1.6 O=C(O)C1CNCCN1 4H57-1-27 [0,0,0,0,0,0|2,0,2]=4 14 B9R1.6 O=C(O)C1CNCCN1 4H57-5-05 [0,0,0,0,0,0|2,0,2]=4 15 B9R1.6 O=C(O)C1CSCCN1 8H21-5-01 [0,0,0,0,0,0|1,0,2]=3 16 B9R1.6 O=C(O)[C@@H]1CCCCN1 4H58-1-SE [0,0,0,0,0,0|2,0,2]=4 17 B9R1.6 O=C(O)[C@@H]1COCCN1 4H56-1-S55 [0,0,0,0,0,0|1,1,2]=4 18 B9R1.6 O=C(O)[C@@H]1COCCN1 4H58-5-S9 [0,0,0,0,0,0|1,1,2]=4 19 B9R1.6 O=C(O)[C@H]1CNCCN1 4H57-1-R3 [0,0,0,0,0,0|2,0,2]=4 20 B9R1.6 O=C(O)[C@H]1COCCN1 4H21-1-29 [0,0,0,0,0,0|1,1,2]=4 21 B9R1.6 O=[N+]([O-])C1=CCCCC1 4454-1-00 [0,0,0,0,0,0|4,0,0]=4 22 B8R1.2 O=CC1=CCCCC1 2415-1-02 [1,0,0,0,0,0|2,0,0]=3 23 B8R1.2 O=CC1=CCCSC1 6H15-1-0B [1,0,0,0,0,0|1,0,1]=3 24 B8R1.2 O=CC1=COCCO1 2H10-1-Z6 [1,0,0,0,0,0|1,1,0]=3 25 B10R1.15 COC(=O)C1=CCNCC1 4H23-5-5L [0,1,0,0,0,0|3,0,0]=4 26 B10R1.15 COC(=O)C1=COCCC1 2H23-1-68 [0,1,0,0,0,0|1,1,0]=3 27 B10R1.15 COC(=O)C1CCCCN1 4H23-1-9K [0,1,0,0,0,0|1,0,2]=4 28 B10R1.15 COC(=O)C1COCCN1 4H23-1-J3 [0,1,0,0,0,0|0,1,2]=4 29 B10R1.15 COC(=O)C1COCCN1 4H58-5-8X [0,1,0,0,0,0|0,1,2]=4 30 B10R1.15 COC(=O)[C@@H]1CCCCN1 4H56-5-S1 [0,1,0,0,0,0|1,0,2]=4 31 B10R1.15 COC(=O)[C@H]1CCCCN1 4H56-5-R1 [0,1,0,0,0,0|1,0,2]=4 32 B10R1.61 CC(=O)C1CCCCC1=O 2218-1-0G [0,1,0,0,0,0|2,0,1]=4 33 B10R1.61 CC(=O)N1CCCCC1=O 4H48-1-07F [0,1,0,0,0,0|3,0,0]=4 34 B10R1.61 CC1=C(C(=O)O)CCCO1 2H21-1-W8 [0,1,0,0,0,0|2,1,0]=4 35 B10R1.61 CC1CCCC=C1C(=O)O 2421-1-12 [0,1,0,0,0,0|3,0,0]=4 36 B10R1.113 CC(=O)C1=CC=CC(=O)N1 4H48-1-B3 [0,1,0,0,0,0|1,0,2]=4 37 B8R0.7 CSCCCOC(C)=O 6166-1-0K [0,0,1,0,0,0|2,0,1]=4 38 B8R0.8 C=C(C)C(=O)NCCC 4348-1-14 [0,0,1,0,0,0|3,0,0]=4 39 B8R0.8 CCC\C=C(/C)C(=O)O 2321-1-0S [0,0,1,0,0,0|3,0,0]=4 40 B8R1.7 CC(=O)C1=CCCC1 2417-1-0J [0,0,0,0,1,0|1,0,0]=2 41 B8R1.7 CC(=O)C1=COC=C1 2H17-1-31 [0,0,0,0,1,0|0,1,2]=4 42 B8R1.7 CC(=O)C1=CSC=N1 8H17-1-0K [0,0,0,0,1,0|0,0,2]=3 43 B8R1.7 CC(=O)C1=NC=CS1 8H70-1-U9 [0,0,0,0,1,0|0,0,3]=4 44 B8R1.7 CC(=O)C1=NNC=C1 4H17-1-A9 [0,0,0,0,1,0|1,0,2]=4 45 B8R1.7 CC(=O)C1CCCC1 2217-1-0X [0,0,0,0,1,0|1,0,2]=4 46 B8R1.7 CC(=O)C1CCNC1 4H17-5-3H [0,0,0,0,1,0|1,0,2]=4 47 B8R1.7 CN(N)C1=NCCN1 3H30-9-1A [0,0,0,0,1,0|3,0,0]=4 48 B8R1.7 NC(=O)C1=CSC=C1 8H48-1-21 [0,0,0,0,1,0|1,0,2]=4 49 B8R1.7 NC(=O)C1=CSC=N1 8H48-1-19 [0,0,0,0,1,0|1,0,2]=4 50 B8R1.7 O=C(Cl)C1=CSC=C1 6H16-5-X7 [0,0,0,0,1,0|1,0,2]=4 51 B8R1.7 O=C(O)C1C=CCN1 4H21-1-6F [0,0,0,0,1,0|1,0,2]=4 52 B8R1.7 O=C(O)C1CCCN1 4H58-1-010 [0,0,0,0,1,0|1,0,2]=4 53 B8R1.7 [C@@H]1(C(=O)O)CCCN1 4H21-1-0P [0,0,0,0,1,0|1,0,2]=4 54 B7R0.1 CCCC\C=C\C=O 2315-1-07 [1,0,1,0,0,0|2,0,0]=4 55 B7R0.4 C=CCCOC(C)=O 2323-1-1E [1,0,1,0,0,0|2,0,0]=4 56 B7R0.4 CC(=O)NCCCN 4148-5-0D [1,0,1,0,0,0|1,0,1]=4 57 B7R0.4 CC(=O)NCCCO 4156-1-Y9 [1,0,1,0,0,0|2,0,0]=4 58 B7R0.4 CCC\C=C\C(C)=O 2317-1-0B [1,0,1,0,0,0|1,0,0]=3 59 B7R0.4 CCO\C=C\C(=O)Cl 2316-1-02 [1,0,1,0,0,0|1,1,0]=4 60 B7R0.5 CC\C=C(/C)C(=O)O 2321-1-0R [1,0,1,0,0,0|2,0,0]=4 61 B7R1.3 O=C1C=CCCN1 4H48-1-1N [2,0,0,0,0,0|1,0,0]=3 62 B9R0.2 CC(=O)\C=C\CCCCO 2320-1-01 [0,1,1,0,0,0|2,0,0]=4 63 B9R0.2 CCCCC\C=C\C(C)=O 2317-1-0A [0,1,1,0,0,0|2,0,0]=4 64 B9R0.29 CS\C(N)=C(\C#N)C(C)=O 8366-1-X2 [0,1,1,0,0,0|2,0,0]=4 65 B9R1.15 O=CC1=C(Br)CCCC1 2415-9-01 [1,1,0,0,0,0|2,0,0]=4 66 B9R1.11 CCC(=O)C1=CC=CN1 4H17-1-9P [0,1,0,0,1,0|0,0,2]=4 67 B9R1.11 CNC(=O)C1=CC=CN1 4H48-1-06J [0,1,0,0,1,0|0,0,2]=4 68 B9R1.11 CNC(=O)C1CCCN1 4H48-5-G1 [0,1,0,0,1,0|0,0,2]=4 69 B9R1.11 COC(=O)C1=CCSC1 6H23-1-0W [0,1,0,0,1,0|0,0,2]=4 70 B9R1.11 COC(=O)C1=CSC=C1 6H23-1-0K [0,1,0,0,1,0|0,0,2]=4 71 B9R1.11 CSC(=O)C1=CSC=N1 8H66-1-28 [0,1,0,0,1,0|0,0,2]=4 72 B9R1.41 CC(=O)C1=CC=NN1C 4H17-1-7R [0,1,0,0,1,0|1,0,1]=4 73 B9R1.41 CC(=O)C1=CN=CN1C 4H58-1-0E [0,1,0,0,1,0|1,0,1]=4 74 B9R1.41 CC(=O)C1=CSC=C1Br 6H17-9-0B [0,1,0,0,1,0|0,0,2]=4 75 B9R1.41 CC(=O)N1CCNC1=O 4H48-1-TW [0,1,0,0,1,0|2,0,0]=4 76 B9R1.41 CC(=O)N1CCOC1=O 4H56-1-0S0 [0,1,0,0,1,0|1,1,0]=4 77 B9R1.41 CC(=O)N1CCSC1=S 8H70-1-3N [0,1,0,0,1,0|1,0,0]=3 78 B11R1.16 CCOC(=O)C1CSCCN1 8H70-1-Z8 [0,2,0,0,0,0|0,0,2]=4 79 B11R1.16 CCOC(=O)C1CSCCN1 8H70-5-Y4 [0,2,0,0,0,0|0,0,2]=4 80 B9R1.7 CC1=CC=C(CCN)O1 4H30-1-C4 [0,0,1,1,0,0|1,0,1]=4 81 B9R1.7 CC1=CC=C(CCN)S1 7H66-1-93 [0,0,1,1,0,0|1,1,0]=4 82 B9R1.5 O=C1CCCCNC1=O 4H48-1-KL [0,0,1,1,0,0|2,0,0]=4 83 B7R1.1 CSC1=NCCN1 7H66-1-32 [1,0,0,0,1,0|2,0,0]=4 84 B7R1.1 CSC1=NCCS1 7H66-H-05 [1,0,0,0,1,0|1,0,1]=4 85 B7R1.1 O=CC1=CCCC1 2415-1-03 [1,0,0,0,1,0|1,0,0]=3 86 B7R1.1 O=CC1=CSN=C1 8H70-1-0D [1,0,0,0,1,0|1,0,1]=4 87 B7R1.1 O=CC1=CSN=N1 8H15-1-X0 [1,0,0,0,1,0|1,0,1]=4 88 B7R1.18 CC(=O)C1CCC1 2217-1-0N [0,0,0,0,2,0|0,0,2]=4 89 B7R1.18 CC(=O)N1CCC1 4H48-1-35 [0,0,0,0,2,0|1,0,1]=4 90 B7R1.18 O=C(O)C1CCN1 4H57-1-98 [0,0,0,0,2,0|1,0,1]=4 91 B7R1.18 O=C(O)[C@@H]1CCN1 4H57-1-29 [0,0,0,0,2,0|1,0,1]=4