0 B14R1.158 CCCCNC(=O)CC1=CC=CC=C1 R371467 [0,0,0,0,0,0|2,0,1]=3 1 B14R1.158 CCCCNC(=O)NC1=CC=CC=C1 S591246 [0,0,0,0,0,0|3,0,1]=4 2 B14R1.158 CCCCNC(=S)NC1=CC=CC=C1 S520969 [0,0,0,0,0,0|3,0,1]=4 3 B13R1.28 CCCCNCCC1=CN=CC=N1 PH012721 [1,0,0,0,0,0|3,0,0]=4 4 B13R1.28 CCCCOCCC1=NC=CC=C1 PH007371 [1,0,0,0,0,0|3,0,0]=4 5 B13R1.28 CCCCSCCC1=NC=CC=C1 PH007370 [1,0,0,0,0,0|3,0,0]=4 6 B13R1.28 ClCCCCCCC1=CC=CC=C1 PH000050 [1,0,0,0,0,0|1,0,0]=2 7 B13R1.28 N#CCCCCCC1=CC=CC=C1 PH011038 [1,0,0,0,0,0|2,0,1]=4 8 B13R1.28 NCCCCCOC1=CC=CC=C1 PH010158 [1,0,0,0,0,0|3,0,0]=4 9 B13R1.28 NCCCCNCC1=CC=CC=C1 PH010300 [1,0,0,0,0,0|3,0,0]=4 10 B13R1.28 OCCCCNCC1=CC=CC=C1 CDS000390 [1,0,0,0,0,0|3,0,0]=4 11 B13R1.44 CCCCC(O)CC1=CC=CC=C1 S782025 [1,0,0,0,0,0|2,0,0]=3 12 B13R1.44 CCCNC(=O)NC1=CC=CC=C1 S591378 [1,0,0,0,0,0|2,0,1]=4 13 B13R1.44 CCCNC(=S)NC1=CC=CC=C1 S615218 [1,0,0,0,0,0|2,0,1]=4 14 B13R1.44 CN(CCCCl)CC1=CC=CC=C1 S427357 [1,0,0,0,0,0|1,0,0]=2 15 B13R1.44 CN(CCCN)CC1=CC=CC=C1 OTV000381 [1,0,0,0,0,0|2,0,0]=3 16 B13R1.44 CNCCN(C)CC1=CC=CC=C1 PH014509 [1,0,0,0,0,0|3,0,0]=4 17 B13R1.44 O=C(CC1=CC=CC=C1)NCCO PH001912 [1,0,0,0,0,0|2,0,1]=4 18 B13R1.44 O=C(CCCCl)OC1=CC=CC=C1 S354538 [1,0,0,0,0,0|2,0,1]=4 19 B13R1.44 O=C(NCCCl)NC1=CC=CC=C1 R594377 [1,0,0,0,0,0|2,0,1]=4 20 B15R1.83 CN(CCCCC#N)CC1=CC=CC=C1 L305634 [0,1,0,0,0,0|3,0,0]=4 21 B15R1.809 CC(CC1=CC=CC=C1)NC(=O)CCCl S529559 [0,1,0,0,0,0|0,0,1]=2 22 B15R1.809 CCCC(C)NC(=O)CC1=CC=CC=C1 R268984 [0,1,0,0,0,0|2,0,1]=4 23 B15R1.2074 CCCCNS(=O)(=O)CC1=CC=CC=C1 R577138 [0,1,0,0,0,0|3,0,0]=4 24 B15R1.2074 O=S(=O)(CCCCCl)CC1=CC=CC=C1 S799157 [0,1,0,0,0,0|3,0,0]=4 25 B15R2.15 OCC1CCN(C1)CC2=CC=CC=C2 ADE000012 [0,0,0,1,0,0|3,0,0]=4 26 B15R2.31 N[C@@H]1CCCN(C1)CC2=CC=CC=C2 CDS000723 [0,0,0,1,0,0|3,0,0]=4 27 B15R2.31 N[C@H]1CCCN(C1)CC2=CC=CC=C2 CDS014351 [0,0,0,1,0,0|3,0,0]=4 28 B15R2.64 CC(CC1=CC=CC=C1)N2CCCC2 PH012445 [0,0,0,1,0,0|1,0,0]=2 29 B15R2.541 CC1CCCN(C1C2=CC=CC=C2)C PH012522 [0,0,0,1,0,0|3,0,0]=4 30 B15R2.1435 O=C1NC2=C(N1CCCCl)C=CC=C2 CDS008063 [0,0,0,1,0,0|2,0,1]=4 31 B15R2.7956 OC1(CCCCC1)CC2=CC=CC=C2 S926574 [0,0,0,1,0,0|3,0,0]=4 32 B13R1.24 CCCCNC(=O)C1=CC=CC=C1 R128538 [0,0,0,0,1,0|2,0,1]=4 33 B13R1.24 CCCCNC(C)C1=CC=CC=C1 R592528 [0,0,0,0,1,0|1,0,0]=2 34 B13R1.24 ClCCNCC(Cl)C1=CC=CC=C1 PH012046 [0,0,0,0,1,0|3,0,0]=4 35 B15R1.78 CC(CCC1=CC=CC=C1)NCCC#N PH015127 [0,0,0,0,0,1|1,0,1]=3 36 B15R1.78 CCCCNC(=O)COC1=CC=CC=C1 R344524 [0,0,0,0,0,1|2,0,1]=4 37 B15R1.78 CCCCNC(=O)OCC1=CC=CC=C1 S898015 [0,0,0,0,0,1|2,0,1]=4 38 B15R1.78 CCCCNC(C)COC1=CC=CC=C1 R549010 [0,0,0,0,0,1|1,0,0]=2 39 B15R1.78 O=C(COC1=CC=CC=C1)NCCCO L131024 [0,0,0,0,0,1|2,0,1]=4 40 B12R1.8 BrCCCCCC1=CC=CC=C1 PH016116 [2,0,0,0,0,0|0,1,0]=3 41 B12R1.8 BrCCCCSC1=CC=CC=C1 PH010302 [2,0,0,0,0,0|1,1,0]=4 42 B12R1.8 CCCCCOC1=CC=CC=C1 S563374 [2,0,0,0,0,0|2,0,0]=4 43 B12R1.8 CCCNCCC1=CC=CC=C1 CBR00107 [2,0,0,0,0,0|0,0,0]=2 44 B12R1.8 CCCNCCC1=NC=CC=C1 VBP00004 [2,0,0,0,0,0|1,0,0]=3 45 B12R1.8 CCNCCCC1=CC=CC=C1 PH014136 [2,0,0,0,0,0|2,0,0]=4 46 B12R1.8 CNCCNCC1=CC=CC=C1 PH010277 [2,0,0,0,0,0|2,0,0]=4 47 B12R1.8 ClCCCOCC1=CC=CC=C1 PH011743 [2,0,0,0,0,0|1,0,0]=3 48 B12R1.8 N#CCCCCC1=CC=CC=C1 PH002674 [2,0,0,0,0,0|1,0,1]=4 49 B12R1.8 NNCCCCC1=CC=CC=C1 PH018955 [2,0,0,0,0,0|2,0,0]=4 50 B12R1.8 OCCCNCC1=CC=CC=C1 S376310 [2,0,0,0,0,0|1,0,0]=3 51 B12R1.8 OCCCNCC1=CC=CC=N1 S355275 [2,0,0,0,0,0|2,0,0]=4 52 B12R1.8 OCCCSCC1=CC=CC=C1 T166324 [2,0,0,0,0,0|2,0,0]=4 53 B12R1.32 CC(CCN)SC1=CC=CC=C1 S117501 [2,0,0,0,0,0|2,0,0]=4 54 B12R1.32 CCCC(O)CC1=CC=CC=C1 R425753 [2,0,0,0,0,0|1,0,0]=3 55 B12R1.32 CCNC(=O)CC1=CC=CC=C1 PH007355 [2,0,0,0,0,0|1,0,1]=4 56 B12R1.32 CN(CCCl)CC1=CC=CC=C1 S427179 [2,0,0,0,0,0|1,0,0]=3 57 B14R1.14 CCCCCCCC1=CC=C(C=C1)O CDS000684 [1,1,0,0,0,0|2,0,0]=4 58 B14R1.123 BrCCCCCCOC1=CC=CC=C1 PH011046 [1,1,0,0,0,0|1,1,0]=4 59 B14R1.123 CCCCCCOCC1=CC=CC=C1 S630160 [1,1,0,0,0,0|2,0,0]=4 60 B14R1.123 CCCCNCCOC1=CC=CC=C1 PH012073 [1,1,0,0,0,0|1,0,0]=3 61 B14R1.123 NCCCCCCOC1=CC=CC=C1 PH007485 [1,1,0,0,0,0|2,0,0]=4 62 B14R1.123 OCCCCCCCC1=CC=CC=C1 PH010503 [1,1,0,0,0,0|2,0,0]=4 63 B14R1.156 O=C(CCCCl)NCC1=CC=CC=C1 S529494 [1,1,0,0,0,0|2,0,0]=4 64 B14R1.422 CC(O)CCCCCC1=CC=CC=C1 PH008491 [1,1,0,0,0,0|2,0,0]=4 65 B14R1.520 CCCC(=O)NCCC1=CC=CC=C1 R343404 [1,1,0,0,0,0|1,0,1]=4 66 B14R1.34 CCCNC(=O)CC1=CC(=CC=C1)Br R348597 [1,1,0,0,0,0|1,0,1]=4 67 B14R1.166 CC(NCCO)C(O)C1=CC=CC=C1 S372609 [1,1,0,0,0,0|1,0,0]=3 68 B14R1.467 CCN(CCCN)CC1=CC=CC=C1 PH014715 [1,1,0,0,0,0|2,0,0]=4 69 B14R1.743 CCC(C)NC(=O)CC1=CC=CC=C1 R269298 [1,1,0,0,0,0|1,0,1]=4 70 B14R1.743 C[C@H](CC1=CC=CC=C1)NC(=O)CCl PH008164 [1,1,0,0,0,0|0,0,1]=3 71 B14R1.4528 O=S(=O)(CCCCl)CC1=CC=CC=C1 T165298 [1,1,0,0,0,0|2,0,0]=4 72 B14R1.420 C/C(=C\CNC(C)C1=CC=CC=C1)/Cl CDS017601 [0,1,0,0,1,0|0,0,2]=4 73 B16R1.1329 [C@@H](C)(CC1=CC=CC=C1)NCCC(=O)OC R644293 [0,2,0,0,0,0|1,0,1]=4 74 B16R1.1329 [C@@H](C)(CC1=CC=CC=C1)NCCC(=O)OC R644307 [0,2,0,0,0,0|1,0,1]=4 75 B16R1.1497 CC(CC1=CC=CC=C1)NC(=O)NCCCl R592307 [0,2,0,0,0,0|0,0,1]=3 76 B14R2.3 CCCCN1CCC2=C1C=CC=C2 S869902 [1,0,0,1,0,0|1,0,0]=3 77 B14R2.6 C1=CC=C(C=C1)CC2CCCCC2 S511749 [1,0,0,1,0,0|2,0,0]=4 78 B14R2.6 C1=CC=C(C=C1)CC2CCCCN2 PH002329 [1,0,0,1,0,0|1,0,0]=3 79 B14R2.6 C1=CC=C(C=C1)CC2COCCN2 CDS010466 [1,0,0,1,0,0|2,0,0]=4 80 B14R2.6 C1=CC=C(C=C1)C[C@H]2NCCCO2 PH016293 [1,0,0,1,0,0|1,0,0]=3 81 B14R2.6 C1=CC=C(N=C1)CC2CCCCN2 PH018458 [1,0,0,1,0,0|2,0,0]=4 82 B14R2.24 CN1CCNCC1C2=CC=CC=C2 CBR00615 [1,0,0,1,0,0|2,0,0]=4 83 B14R2.24 NC1CCCCC1C2=CC=CC=C2 PH012427 [1,0,0,1,0,0|2,0,0]=4 84 B14R2.24 OC1CCCCC1C2=CC=CC=C2 S456764 [1,0,0,1,0,0|2,0,0]=4 85 B14R2.24 OC1CCCCC1C2=CC=CC=C2 S459771 [1,0,0,1,0,0|2,0,0]=4 86 B14R2.30 N[C@@H]1CCC[C@@H]1CC2=CC=CC=C2 PH018573 [1,0,0,1,0,0|2,0,0]=4 87 B14R2.101 C1=CC(=CC=N1)CCN2CCCC2 S355372 [1,0,0,1,0,0|2,0,0]=4 88 B14R2.101 C1=CC=C(N=C1)CCN2CCCC2 S355364 [1,0,0,1,0,0|2,0,0]=4 89 B14R2.1253 C1=CC=C(C=C1)C2CCCCCC2 PH002737 [1,0,0,1,0,0|2,0,0]=4 90 B14R2.1253 C1=CC=C(C=C1)C2CCCCCN2 CDS008961 [1,0,0,1,0,0|2,0,0]=4 91 B14R2.7150 N#CCC1NCCC2=CC=CC=C12 BBO000347 [1,0,0,1,0,0|1,0,1]=4 92 B14R2.8 ClCC1CNC(O1)C2=CC=CC=C2 S344389 [0,0,0,1,1,0|1,0,0]=3 93 B14R2.317 C[C@@H]1CCC[C@@]1(C)C2=CC=CC=C2 T236691 [0,0,0,1,1,0|2,0,0]=4 94 B14R2.317 C[C@H]1CCC[C@@]1(C)C2=CC=CC=C2 T236705 [0,0,0,1,1,0|2,0,0]=4 95 B16R2.524 OC(CC1=CC=CC=C1)CN2CCCC2 PH007322 [0,1,0,1,0,0|2,0,0]=4 96 B16R2.33345 CC(CC1=CC=C(C=C1)Cl)NCC2CC2 S600520 [0,1,0,1,0,0|1,0,0]=3 97 B16R2.12242 CC(C)(CC1=CC=CC=C1)N2CCCC2 PH012524 [0,1,0,1,0,0|1,0,0]=3 98 B12R1.30 C#CCNC(C)C1=CC=CC=C1 CDS017603 [1,0,0,0,1,0|0,0,2]=4 99 B12R1.30 CC(OCCO)C1=CC=CC=C1 PH001956 [1,0,0,0,1,0|2,0,0]=4 100 B12R1.30 CCCCC(O)C1=CC=CC=C1 S458872 [1,0,0,0,1,0|2,0,0]=4 101 B12R1.30 CCCNC(=O)C1=CC=CC=C1 S779121 [1,0,0,0,1,0|1,0,1]=4