0 B14R1.158 NCCCNC(=O)NC1=CC=CC=C1 AR2483 [0,0,0,0,0,0|3,0,0]=3 1 B14R1.158 O=C(CNCCO)NC1=CC=CC=C1 AB2870 [0,0,0,0,0,0|4,0,0]=4 2 B13R1.28 BrCCCCCCC1=CC=CC=C1 D70348 [1,0,0,0,0,0|2,0,1]=4 3 B13R1.28 BrCCCCOCC1=CC=CC=C1 H10570 [1,0,0,0,0,0|3,0,0]=4 4 B13R1.28 OCCCCOCC1=CC=CC=C1 89956 [1,0,0,0,0,0|3,0,0]=4 5 B13R1.28 OCCCC[NH2+]CC1=CC=CC=C1 D88834 [1,0,0,0,0,0|3,0,0]=4 6 B13R1.44 C=CCOC(=O)CC1=CC=CC=C1 A50728 [1,0,0,0,0,0|0,0,2]=3 7 B13R1.44 C=CCOC(=O)OC1=CC=CC=C1 D83885 [1,0,0,0,0,0|1,0,2]=4 8 B13R1.44 CNCCN(C)CC1=CC=CC=C1 56100 [1,0,0,0,0,0|3,0,0]=4 9 B13R1.44 NCCNC(=O)NC1=CC=CC=C1 AR2480 [1,0,0,0,0,0|3,0,0]=4 10 B15R1.1081 CC(C)CCOC(=O)CC1=CC=CC=C1 D91902 [0,1,0,0,0,0|0,0,0]=1 11 B15R2.64 O=C(NC1=CC=CC=C1)[C@@H]2CCCN2 F20858 [0,0,0,1,0,0|3,0,0]=4 12 B15R2.1435 CCCCN1C(C)=CC2=C1C=CC=C2 D95818 [0,0,0,1,0,0|2,0,1]=4 13 B15R2.2203 CCCCCC1=NC2=C(C=CC=C2)N1 C10577 [0,0,0,1,0,0|3,0,0]=4 14 B13R1.24 CCCCCC(=O)C1=CC=CC=C1 F21443 [0,0,0,0,1,0|1,0,0]=2 15 B13R1.24 CCCCC[C@H](O)C1=CC=CC=C1 D92145 [0,0,0,0,1,0|1,0,2]=4 16 B13R1.24 CCCCOC(=O)C1=CN=CC=C1 D91638 [0,0,0,0,1,0|1,0,0]=2 17 B15R1.78 CCCCCC(=O)OCC1=CC=CC=C1 D95691 [0,0,0,0,0,1|1,0,0]=2 18 B15R1.78 CCCCOC(=O)\C=C\C1=CC=CC=C1 D82012 [0,0,0,0,0,1|0,0,1]=2 19 B15R1.78 NCCCNC(=O)OCC1=CC=CC=C1 AB8106 [0,0,0,0,0,1|2,0,0]=3 20 B15R1.78 NCCCNC(=O)OCC1=CC=CC=C1 I11529 [0,0,0,0,0,1|2,0,0]=3 21 B15R1.78 O=C(NCCCBr)OCC1=CC=CC=C1 AB3067 [0,0,0,0,0,1|2,0,0]=3 22 B15R1.78 O=C(NCCCO)OCC1=CC=CC=C1 AB8182 [0,0,0,0,0,1|2,0,0]=3 23 B15R1.78 O=CCCNC(=O)OCC1=CC=CC=C1 53998 [0,0,0,0,0,1|2,0,1]=4 24 B12R1.8 BrCCCCCC1=CC=CC=C1 S10028 [2,0,0,0,0,0|1,0,1]=4 25 B12R1.8 BrCCCOCC1=CC=CC=C1 33009 [2,0,0,0,0,0|1,0,0]=3 26 B12R1.8 CCCCC#CC1=CC=CC=C1 D71011 [2,0,0,0,0,0|0,0,2]=4 27 B12R1.8 CCCCCCC1=CC=CC=C1 65014 [2,0,0,0,0,0|0,0,1]=3 28 B12R1.8 CCCCCCC1=NC=CC=C1 D83986 [2,0,0,0,0,0|1,0,1]=4 29 B12R1.8 CCCCCC[N+]1=CC=CC=C1 D94652 [2,0,0,0,0,0|1,0,1]=4 30 B12R1.8 CCCCNCC1=CC=CC=C1 D88887 [2,0,0,0,0,0|1,0,0]=3 31 B12R1.8 CNCCCCC1=CC=CC=C1 AR1724 [2,0,0,0,0,0|1,0,1]=4 32 B12R1.8 CNCCNCC1=CC=CC=C1 AB2659 [2,0,0,0,0,0|2,0,0]=4 33 B12R1.8 N#CCCOCC1=CC=CC=C1 D84177 [2,0,0,0,0,0|1,0,1]=4 34 B12R1.8 NCCCNCC1=CC=CC=C1 23518 [2,0,0,0,0,0|2,0,0]=4 35 B12R1.8 O=CCCOCC1=CC=CC=C1 W18571 [2,0,0,0,0,0|1,0,1]=4 36 B12R1.8 OCCCCCC1=CC=CC=C1 D92109 [2,0,0,0,0,0|1,0,1]=4 37 B12R1.8 OCCCNCC1=CC=CC=C1 29589 [2,0,0,0,0,0|2,0,0]=4 38 B12R1.8 OCCCNCC1=CC=CC=C1 W11523 [2,0,0,0,0,0|2,0,0]=4 39 B12R1.8 OCCCOCC1=CC=CC=C1 29440 [2,0,0,0,0,0|1,0,0]=3 40 B12R1.32 CCCC(=O)CC1=CC=CC=C1 F19922 [2,0,0,0,0,0|0,0,0]=2 41 B12R1.32 CCNC(=O)OC1=CC=CC=C1 D92920 [2,0,0,0,0,0|2,0,0]=4 42 B12R1.32 CCOC(=O)CC1=CC=CC=C1 D77783 [2,0,0,0,0,0|0,0,0]=2 43 B12R1.32 CCOC(=O)CC1=CC=NC=C1 W12171 [2,0,0,0,0,0|1,0,0]=3 44 B12R1.32 CCOC(=O)CC1=CN=CC=C1 TD8046 [2,0,0,0,0,0|1,0,0]=3 45 B12R1.32 CCOC(=O)CC1=NC=CC=C1 28493 [2,0,0,0,0,0|1,0,0]=3 46 B12R1.32 CCOC(=O)CC1=NC=CC=N1 24984 [2,0,0,0,0,0|2,0,0]=4 47 B12R1.32 CCOC(=O)CC1=NC=CN=C1 50113 [2,0,0,0,0,0|2,0,0]=4 48 B12R1.32 N#CCC(=O)CC1=CC=CC=C1 90350 [2,0,0,0,0,0|1,0,1]=4 49 B12R1.32 O=C(CCCl)NC1=CC=CC=C1 57872 [2,0,0,0,0,0|2,0,0]=4 50 B12R1.32 O=C(CCCl)OC1=CC=CC=C1 D84185 [2,0,0,0,0,0|2,0,0]=4 51 B14R1.14 CCCCCCCC1=CC=C(Br)C=C1 F17122 [1,1,0,0,0,0|1,0,1]=4 52 B14R1.14 CCCCCCCC1=CC=C(O)C=C1 F17029 [1,1,0,0,0,0|1,0,1]=4 53 B14R1.123 BrCCCCCOCC1=CC=CC=C1 T70013 [1,1,0,0,0,0|2,0,0]=4 54 B14R1.123 CCCCCCCCC1=CC=CC=C1 C10217 [1,1,0,0,0,0|1,0,1]=4 55 B14R1.123 OCCCCCOCC1=CC=CC=C1 A10053 [1,1,0,0,0,0|2,0,0]=4 56 B14R1.423 CC(C)COC(=O)CC1=CC=CC=C1 D91903 [1,1,0,0,0,0|0,0,0]=2 57 B14R1.743 COC(=O)CC(=O)CC1=CC=CC=C1 AB7590 [1,1,0,0,0,0|1,0,1]=4 58 B14R1.19 CCCCCC(=O)C1=CC=C(Br)C=C1 W13406 [0,1,0,0,1,0|1,0,0]=3 59 B14R1.19 CCCCNC(=O)C1=NC=C(N)C=C1 D83074 [0,1,0,0,1,0|2,0,0]=4 60 B14R1.19 CCCCOC(=O)C1=CC=C(N)C=C1 W16695 [0,1,0,0,1,0|0,0,0]=2 61 B14R1.20 CCCCNC(=O)C1=CC(N)=CC=C1 D97596 [0,1,0,0,1,0|1,0,0]=3 62 B14R1.46 CCCCNS(=O)(=O)C1=CC=CC=C1 D70361 [0,1,0,0,1,0|2,0,0]=4 63 B14R1.46 CCCCOS(=O)(=O)C1=CC=CC=C1 D88592 [0,1,0,0,1,0|1,0,0]=3 64 B14R1.420 CC(C)=CCOC(=O)C1=CC=CC=C1 D88803 [0,1,0,0,1,0|0,0,2]=4 65 B14R1.420 CN(C)CCOC(=O)C1=CC=CC=C1 F20965 [0,1,0,0,1,0|1,0,0]=3 66 B14R1.1035 CCCCOC(=O)C1=C(N)C=CC=C1 D88268 [0,1,0,0,1,0|0,0,0]=2 67 B16R1.608 CC(=O)CCNC(=O)OCC1=CC=CC=C1 89828 [0,1,0,0,0,1|1,0,1]=4 68 B16R1.688 NCCCCNC(=O)OCC1=CC=CC=C1 C78005 [0,1,0,0,0,1|1,0,0]=3 69 B16R1.1343 O=C(NC[C@H](O)CO)OCC1=CC=CC=C1 P18185 [0,1,0,0,0,1|2,0,0]=4 70 B16R1.1343 O=C(NC[C@H](O)CO)OCC1=CC=CC=C1 P18186 [0,1,0,0,0,1|2,0,0]=4 71 B16R1.1516 CNCCN(C)C(=O)OCC1=CC=CC=C1 D84370 [0,1,0,0,0,1|2,0,0]=4 72 B16R1.560 COC(CNC(=O)CC1=CC=CC=C1)OC S11947 [0,2,0,0,0,0|2,0,0]=4 73 B14R2.3 CCCCN1C=NC2=C1C=CC=C2 E10136 [1,0,0,1,0,0|2,0,0]=4 74 B14R2.6 C1=CC=C(CN2CCCCC2)C=C1 F14911 [1,0,0,1,0,0|2,0,0]=4 75 B14R2.114 O=C(C1=CC=CC=C1)C2CCCC2 28841 [0,0,0,1,1,0|1,0,0]=3 76 B14R2.114 O=C(C1=CC=CC=C1)[C@H]2CCNC2 52316 [0,0,0,1,1,0|2,0,0]=4 77 B14R2.114 O=C(C1=NC=CC=C1)C2CCCC2 D83008 [0,0,0,1,1,0|2,0,0]=4 78 B16R2.2238 O=C(OCC1=CC=CC=C1)[C@@H]2CCCN2 F10929 [0,0,0,1,0,1|2,0,0]=4 79 B16R2.2238 O=C(OCC1=CC=CC=C1)[C@@H]2CCCN2 W12068 [0,0,0,1,0,1|2,0,0]=4 80 B16R2.2441 CCCCOC1=CC2=CC=CC=C2C=C1 D71124 [0,0,0,1,0,1|1,0,1]=4 81 B16R2.44148 O=C(NC1CNC1)OCC2=CC=CC=C2 37069 [0,0,0,1,0,1|2,0,0]=4 82 B16R2.88 O=C(CC1=CC=CC=C1)N2CCNCC2 79667 [0,1,0,1,0,0|1,0,0]=3 83 B16R2.88 O=C(NC1=CC=CC=C1)N2CCNCC2 97512 [0,1,0,1,0,0|2,0,0]=4 84 B12R1.30 C=CCOC(=O)C1=CC=CC=C1 D88886 [1,0,0,0,1,0|0,0,2]=4 85 B12R1.30 CC=NOC(=O)C1=CC=CC=C1 D88206 [1,0,0,0,1,0|1,0,1]=4 86 B12R1.30 CCCCC(=O)C1=CC=CC=C1 AC8072 [1,0,0,0,1,0|0,0,0]=2 87 B12R1.30 CCCCN(N)C1=CC=CC=C1 D88913 [1,0,0,0,1,0|2,0,0]=4 88 B12R1.30 CCCNC(=O)C1=CN=CC=C1 D83800 [1,0,0,0,1,0|2,0,0]=4 89 B12R1.30 CCCOC(=O)C1=CC=CC=C1 D70394 [1,0,0,0,1,0|0,0,0]=2 90 B12R1.30 CNCCC(=O)C1=CC=CC=C1 C74316 [1,0,0,0,1,0|1,0,0]=3 91 B12R1.30 O=C(OCCBr)C1=CC=CC=C1 A11417 [1,0,0,0,1,0|1,0,0]=3 92 B12R1.30 O=C(OCCCl)C1=CC=CC=C1 75520 [1,0,0,0,1,0|1,0,0]=3 93 B16R1.1694 CCCCCC(=O)OCCC1=CC=CC=C1 D95708 [0,0,0,0,0,2|1,0,0]=3