0 B14R1.158 CCCCNC(=O)CC1=CC=CC=C1 R371467 [0,0,0,0,0,0|2,0,2]=4 1 B14R1.158 N#CCCOC(=O)NC1=CC=CC=C1 S645192 [0,0,0,0,0,0|3,0,1]=4 2 B13R1.28 C#CCCCOCC1=CC=CC=C1 T286494 [1,0,0,0,0,0|3,0,0]=4 3 B13R1.28 ClCCCCCCC1=CC=CC=C1 PH000050 [1,0,0,0,0,0|2,0,1]=4 4 B13R1.28 N#CCCCCCC1=CC=CC=C1 PH011038 [1,0,0,0,0,0|1,0,0]=2 5 B13R1.44 CCCCC(O)CC1=CC=CC=C1 S782025 [1,0,0,0,0,0|2,0,1]=4 6 B13R1.44 CN(CCCCl)CC1=CC=CC=C1 S427357 [1,0,0,0,0,0|2,0,1]=4 7 B13R1.44 CN(CCCN)CC1=CC=CC=C1 OTV000381 [1,0,0,0,0,0|1,0,2]=4 8 B13R1.44 CNCCN(C)CC1=CC=CC=C1 PH014509 [1,0,0,0,0,0|3,0,0]=4 9 B13R1.44 O=C(CC1=CC=CC=C1)NCCO PH001912 [1,0,0,0,0,0|2,0,1]=4 10 B15R1.83 CN(CCCCC#N)CC1=CC=CC=C1 L305634 [0,1,0,0,0,0|2,0,0]=3 11 B15R1.809 CC(CC1=CC=CC=C1)NC(=O)CCCl S529559 [0,1,0,0,0,0|1,0,2]=4 12 B15R1.1409 CN(CCCC#N)CC1=CC=CC=C1Cl PH001149 [0,1,0,0,0,0|2,0,0]=3 13 B15R2.15 N#CC1CCN(C1)CC2=CC=CC=C2 ADE000013 [0,0,0,1,0,0|2,0,0]=3 14 B15R2.64 CC(CC1=CC=CC=C1)N2CCCC2 PH012445 [0,0,0,1,0,0|1,0,1]=3 15 B15R2.541 CC1CCCN(C1C2=CC=CC=C2)C PH012522 [0,0,0,1,0,0|3,0,0]=4 16 B15R2.1435 N#CCCN1C(=O)OC2=CC=CC=C12 R468789 [0,0,0,1,0,0|2,0,1]=4 17 B15R2.1435 N#CCCN1C(=O)SC2=C1C=CC=C2 PH008720 [0,0,0,1,0,0|2,0,1]=4 18 B15R2.1435 N#CCCN1C(=S)SC2=C1C=CC=C2 PH003682 [0,0,0,1,0,0|2,0,1]=4 19 B13R1.24 CCCCNC(C)C1=CC=CC=C1 R592528 [0,0,0,0,1,0|1,0,1]=3 20 B15R1.78 CC(CCC1=CC=CC=C1)NCCC#N PH015127 [0,0,0,0,0,1|0,0,0]=1 21 B15R1.78 CCCCNC(C)COC1=CC=CC=C1 R549010 [0,0,0,0,0,1|1,0,1]=3 22 B12R1.8 BrCCCCCC1=CC=CC=C1 PH016116 [2,0,0,0,0,0|1,0,1]=4 23 B12R1.8 C#CCCOCC1=CC=CC=C1 T269069 [2,0,0,0,0,0|2,0,0]=4 24 B12R1.8 CCCNCCC1=CC=CC=C1 CBR00107 [2,0,0,0,0,0|0,0,1]=3 25 B12R1.8 CCCNCCC1=NC=CC=C1 VBP00004 [2,0,0,0,0,0|1,0,1]=4 26 B12R1.8 CNCCNCC1=CC=CC=C1 PH010277 [2,0,0,0,0,0|2,0,0]=4 27 B12R1.8 N#CCCCCC1=CC=CC=C1 PH002674 [2,0,0,0,0,0|0,0,0]=2 28 B12R1.8 N#CCCCOC1=CC=CC=C1 PH010897 [2,0,0,0,0,0|1,0,0]=3 29 B12R1.8 N#CCCCSC1=CC=CC=C1 S620181 [2,0,0,0,0,0|1,0,0]=3 30 B12R1.8 N#CCCOCC1=CC=CC=C1 ANV00259 [2,0,0,0,0,0|1,0,0]=3 31 B12R1.8 N#CCCSCC1=CC=CC=C1 S614068 [2,0,0,0,0,0|1,0,0]=3 32 B12R1.8 N#CCOCCC1=CC=CC=C1 S148911 [2,0,0,0,0,0|1,0,0]=3 33 B12R1.8 NNCCCCC1=CC=CC=C1 PH018955 [2,0,0,0,0,0|1,0,1]=4 34 B12R1.8 OCCCNCC1=CC=CC=C1 S376310 [2,0,0,0,0,0|1,0,1]=4 35 B12R1.32 CC(CCN)SC1=CC=CC=C1 S117501 [2,0,0,0,0,0|1,0,1]=4 36 B12R1.32 CCCC(O)CC1=CC=CC=C1 R425753 [2,0,0,0,0,0|1,0,1]=4 37 B12R1.32 CCNC(=O)CC1=CC=CC=C1 PH007355 [2,0,0,0,0,0|1,0,1]=4 38 B12R1.32 CN(CCCl)CC1=CC=CC=C1 S427179 [2,0,0,0,0,0|2,0,0]=4 39 B14R1.123 CCCCNCCOC1=CC=CC=C1 PH012073 [1,1,0,0,0,0|1,0,1]=4 40 B14R1.166 CC(NCCO)C(O)C1=CC=CC=C1 S372609 [1,1,0,0,0,0|1,0,0]=3 41 B14R1.743 C[C@H](CC1=CC=CC=C1)NC(=O)CCl PH008164 [1,1,0,0,0,0|1,0,1]=4 42 B14R1.946 CN(CCC#N)CC1=CC=CC=C1Cl PH000549 [1,1,0,0,0,0|1,0,0]=3 43 B14R1.1035 CC1=C(C=CC=C1)C(=O)NCCC#N R467707 [0,1,0,0,1,0|1,0,1]=4 44 B16R1.1329 [C@@H](C)(CC1=CC=CC=C1)NCCC(=O)OC R644293 [0,2,0,0,0,0|1,0,1]=4 45 B16R1.1329 [C@@H](C)(CC1=CC=CC=C1)NCCC(=O)OC R644307 [0,2,0,0,0,0|1,0,1]=4 46 B14R2.3 CCCCN1CCC2=C1C=CC=C2 S869902 [1,0,0,1,0,0|1,0,1]=4 47 B14R2.3 N#CCCN1C=CC2=C1C=CC=C2 S369268 [1,0,0,1,0,0|0,0,2]=4 48 B14R2.6 C1=CC=C(C=C1)CC2CCCCN2 PH002329 [1,0,0,1,0,0|1,0,1]=4 49 B14R2.6 C1=CC=C(C=C1)CC2COCCN2 CDS010466 [1,0,0,1,0,0|2,0,0]=4 50 B14R2.6 C1=CC=C(C=C1)C[C@H]2NCCCO2 PH016293 [1,0,0,1,0,0|1,0,1]=4 51 B14R2.24 CN1CCNCC1C2=CC=CC=C2 CBR00615 [1,0,0,1,0,0|2,0,0]=4 52 B14R2.7150 N#CCC1NCCC2=CC=CC=C12 BBO000347 [1,0,0,1,0,0|0,0,0]=2 53 B14R2.7150 N#CCN1CCCC2=C1C=CC=C2 S922544 [1,0,0,1,0,0|2,0,0]=4 54 B16R2.23 N#CC1CN(CCO1)CC2=CC=CC=C2 CBR01317 [0,1,0,1,0,0|2,0,0]=4 55 B16R2.92 N#CCC1CCN(C1)CC2=CC=CC=C2 PH009823 [0,1,0,1,0,0|2,0,0]=4 56 B16R2.30799 CC1=C(N(C2=C1C=CC=C2)CCC#N)C PH011520 [0,1,0,1,0,0|0,0,2]=4 57 B16R2.33345 CC(CC1=CC=C(C=C1)Cl)NCC2CC2 S600520 [0,1,0,1,0,0|1,0,1]=4 58 B16R2.12242 CC(C)(CC1=CC=CC=C1)N2CCCC2 PH012524 [0,1,0,1,0,0|1,0,1]=4 59 B12R1.30 C#CCNC(C)C1=CC=CC=C1 CDS017603 [1,0,0,0,1,0|0,0,1]=3 60 B12R1.30 CC(OCCO)C1=CC=CC=C1 PH001956 [1,0,0,0,1,0|2,0,0]=4 61 B12R1.30 N#CCNC(=O)C1=CC=CC=C1 L159336 [1,0,0,0,1,0|1,0,1]=4