0 B15R1.1035 CCCCC/C(=C\C1=CC=CC=C1)/C=O Z104476282 [0,0,0,0,0,0|0,0,0]=0 1 B15R1.1035 CCCCC/C(=C\C1=CC=CC=C1)/CO Z235448622 [0,0,0,0,0,0|0,0,2]=2 2 B14R1.158 CCCCNC(=O)NC1=CN=CC=C1 Z44592348 [1,0,0,0,0,0|3,0,0]=4 3 B14R1.158 CCCCNC(=S)NC1=CC=CC=C1 Z45796178 [1,0,0,0,0,0|2,1,0]=4 4 B14R1.158 CNCCCC(=O)NC1=CC=CC=C1 Z1457920724 [1,0,0,0,0,0|2,0,0]=3 5 B16R1.1407 CCCCCC/C(=C\C1=CC=CC=C1)/C=O Z57936859 [0,1,0,0,0,0|0,0,0]=1 6 B16R2.69 O=C1CCCCCN1CC2=CC=CC=C2 Z1509564266 [0,0,0,1,0,0|1,0,1]=3 7 B16R2.69 O=C1NCCCCC1SC2=CC=CC=C2 Z281075700 [0,0,0,1,0,0|2,0,1]=4 8 B16R2.2441 CCCCOC1=CC2=C(C=C1)N=CC=C2 Z1381476344 [0,0,0,1,0,0|3,0,0]=4 9 B16R2.11144 CNC1CCN(C1=O)CC2=CC=CC=C2 Z825515488 [0,0,0,1,0,0|2,0,1]=4 10 B13R1.28 CCCCCNCC1=CC=CC=C1 Z4424628864 [2,0,0,0,0,0|1,0,1]=4 11 B13R1.44 CCCNC(=O)NC1=CC=CC=C1 Z44586337 [2,0,0,0,0,0|2,0,0]=4 12 B13R1.44 CCNCC(=O)NC1=CC=CC=C1 Z1457920782 [2,0,0,0,0,0|2,0,0]=4 13 B13R1.44 NCCCC(=O)NC1=CC=CC=C1 Z1449746694 [2,0,0,0,0,0|2,0,0]=4 14 B15R1.83 COCCSCC(=O)NC1=CC=CC=C1 Z363079172 [1,1,0,0,0,0|2,0,0]=4 15 B15R1.83 NCCCCCC(=O)NC1=CC=CC=C1 Z1765814584 [1,1,0,0,0,0|1,0,0]=3 16 B15R1.93 CCCCNC(=O)N(C)C1=CC=CC=C1 Z44586372 [1,1,0,0,0,0|2,0,0]=4 17 B15R1.128 CCCCOC(=O)NC1=CC=C(C=C1)C Z55289678 [1,1,0,0,0,0|2,0,0]=4 18 B15R1.128 CCCNCC(=O)NC1=CC=C(C=C1)Cl Z52924042 [1,1,0,0,0,0|2,0,0]=4 19 B15R1.129 CCCCNC(=O)NC1=CC(=CC=C1)Br Z44586480 [1,1,0,0,0,0|2,0,0]=4 20 B15R1.551 CCCNC(C)C(=O)NC1=CC=CC=C1 Z44530301 [1,1,0,0,0,0|2,0,0]=4 21 B15R1.809 CCCC(C)NC(=O)NC1=CC=CC=C1 Z44608637 [1,1,0,0,0,0|2,0,0]=4 22 B15R1.1409 CCCCNC(=O)NC1=C(C=CC=C1)F Z44591376 [1,1,0,0,0,0|2,0,0]=4 23 B15R1.1409 CCCNCC(=O)NC1=C(C=CC=C1)C Z52923950 [1,1,0,0,0,0|2,0,0]=4 24 B15R2.64 O=C(NC1=CC=CC=C1)C2CCCN2 Z317046548 [1,0,0,1,0,0|2,0,0]=4 25 B15R2.64 O=C(NC1=CC=CC=C1)N2CCCC2 Z44585777 [1,0,0,1,0,0|2,0,0]=4 26 B15R2.64 O=C(NC1=CC=NC=C1)C2CCCC2 Z85517275 [1,0,0,1,0,0|2,0,0]=4 27 B15R2.1256 O=C(NCC1CC1)NC2=CC=CC=C2 Z287121922 [1,0,0,1,0,0|2,0,0]=4 28 B15R2.1256 O=C(NCC1CC1)OC2=CC=CC=C2 Z286242306 [1,0,0,1,0,0|2,0,0]=4 29 B15R2.1435 CCCCN1C(=O)NC2=C1C=CC=C2 Z57369967 [1,0,0,1,0,0|2,0,0]=4 30 B15R2.2203 CCCCCC1=NC2=C(N1)C=CC=C2 Z55692917 [1,0,0,1,0,0|2,0,0]=4 31 B15R2.21 O=CC1=C(CCCC1)C2=CC=CC=C2 Z1511747041 [1,0,0,1,0,0|0,0,0]=2 32 B15R2.38 O=C1CCCCC1OC2=CC=CC=C2 Z53833871 [1,0,0,1,0,0|1,0,1]=4 33 B15R2.44 CCCN1C(=NC2=C1C=CC=C2)C=O Z57171753 [1,0,0,1,0,0|2,0,0]=4 34 B15R2.89 CCCCN1NC2=C(C1=O)C=CC=C2 Z1255384793 [1,0,0,1,0,0|2,0,0]=4 35 B15R2.352 CCNCC1=CC2=C(C=CC=C2)C=C1 Z90513510 [1,0,0,1,0,0|2,0,0]=4 36 B15R2.5 NCCCCC1=CNC2=C1C=CC=C2 Z3766503508 [0,0,0,1,1,0|2,0,0]=4 37 B15R2.131 O=CC(C1=CC=CC=C1)C2CCCC2 Z1255391904 [0,0,0,1,1,0|0,0,1]=3 38 B15R2.4808 CNC1CCN(C1=O)C2=CC=CC=C2 Z825515882 [0,0,0,1,1,0|2,0,0]=4 39 B17R2.2708 CCCCCN1C=NC2=C(C1=O)C=CN=C2 Z1778716899 [0,0,0,1,0,1|2,0,0]=4 40 B17R2.2708 CSCCCN1N=CC2=C(C1=O)C=CC=C2 Z1271505369 [0,0,0,1,0,1|2,0,0]=4 41 B17R2.5747 CCCCCN1C(=NC2=C1C=CC=C2)C=O Z57171752 [0,1,0,1,0,0|1,0,0]=3 42 B17R2.4993 O=C1CCCCCN1C(=O)C2=CC=CC=C2 Z56948364 [0,1,0,1,0,0|1,0,0]=3 43 B17R2.10270 CCSCCN1C(=O)C2=C(C1=O)C=CC=C2 Z742589810 [0,1,0,1,0,0|2,0,0]=4 44 B17R2.10270 CNCCCN1C(=O)C2=C(C1=O)C=CC=C2 Z2372097351 [0,1,0,1,0,0|2,0,0]=4 45 B17R2.10270 NCCCCN1C(=O)C2=C(C1=O)C=CC=C2 Z1266933853 [0,1,0,1,0,0|2,0,0]=4 46 B17R2.12072 CCCCCC1=CC(=O)C2=C(N1)C=CC=C2 Z1509149676 [0,1,0,1,0,0|1,0,0]=3 47 B17R2.6436 COCCN1C(=CC2=C1C=CC=C2)C(=O)O Z335290662 [0,1,0,1,0,0|2,0,0]=4 48 B17R2.45267 NC(=O)C1(CCCCC1)NC2=CC=CC=C2 Z608481836 [0,1,0,1,0,0|1,0,1]=4 49 B17R2.45267 O=C(O)C1(CCCCC1)CC2=CC=CC=C2 Z203037844 [0,1,0,1,0,0|0,0,2]=4 50 B17R2.45267 O=C(O)C1(CCCCC1)OC2=CC=CC=C2 Z803506324 [0,1,0,1,0,0|1,0,1]=4 51 B17R2.5669 C[C@@H](O)CNCC1=CC2=C(C=CC=C2)C=C1 Z1564499615 [0,1,0,1,0,0|2,0,0]=4 52 B17R3.33545 O=C1[C@H]2CCC[C@@H]1CC3=C(C2)C=CC=C3 Z2102829629 [0,0,0,2,0,0|0,0,2]=4 53 B17R3.1917 C1=CC2=C(C=C1)C=C(C=C2)C3CCNC3 Z4499468547 [0,0,0,2,0,0|2,0,0]=4 54 B17R3.648661 C1=CC2=C(C=C1)C=C(C=C2)CNC3CC3 Z86139016 [0,0,0,2,0,0|2,0,0]=4 55 B17R3.81640 O=CC1=CC2=C3C(=CC=C2)CCCC3=N1 Z3993038843 [0,0,0,2,0,0|1,0,1]=4 56 B17R3.74 O=C1C2=C(C=CC=C2)CC13CCCCC3 Z4497772511 [0,0,0,2,0,0|0,0,2]=4 57 B13R1.24 C=CCCCC(=O)C1=CC=CC=C1 Z1219747350 [1,0,0,0,1,0|0,0,2]=4 58 B13R1.24 CCCCCC(N)C1=CC=CC=C1 Z362781052 [1,0,0,0,1,0|1,0,1]=4 59 B13R1.24 CCCCCC(O)C1=CC=CC=C1 Z445987152 [1,0,0,0,1,0|0,0,2]=4 60 B13R1.24 CCCCNC(=O)C1=CC=CC=C1 Z31763402 [1,0,0,0,1,0|1,0,0]=3 61 B13R1.24 CCCCOC(=O)C1=CC=CC=C1 Z104473208 [1,0,0,0,1,0|1,0,0]=3 62 B13R1.24 COCCCC(=O)C1=CN=CC=C1 Z992963354 [1,0,0,0,1,0|2,0,0]=4 63 B13R1.24 NCCCNC(=O)C1=CC=CC=C1 Z1455806932 [1,0,0,0,1,0|2,0,0]=4 64 B13R1.26 CCCCN(N=O)C1=CC=CC=C1 Z4882196363 [1,0,0,0,1,0|2,0,0]=4 65 B15R1.78 CCCCNC(=O)/C=C/C1=NC=CC=C1 Z734648508 [1,0,0,0,0,1|2,0,0]=4 66 B15R1.78 CCCCNC(=O)CSC1=CC=CC=C1 Z19750824 [1,0,0,0,0,1|1,0,1]=4 67 B15R1.78 COCCNC(=O)/C=C/C1=CC=CC=C1 Z31438089 [1,0,0,0,0,1|2,0,0]=4 68 B15R1.78 NCCCCC(=O)OCC1=CC=CC=C1 Z1649893037 [1,0,0,0,0,1|1,0,1]=4