0 B17R2.3687 CC1CCCN1C(=O)C2=CC=C(C=C2)C#N Z666129790 [0,0,0,0,0,0|3,0,1]=4 1 B17R2.3687 CC1CCCN1C(=O)C2=CC=C(C=C2)CO Z2631982153 [0,0,0,0,0,0|3,0,1]=4 2 B16R2.46 COC1=CC=C(C=C1)C(=O)C2CCCN2 Z1446816283 [1,0,0,0,0,0|2,0,0]=3 3 B16R2.46 COC1=NC=C(C=C1)C(=O)N2CCCC2 Z184688974 [1,0,0,0,0,0|1,0,1]=3 4 B16R2.46 CSC1=CC=C(C=C1)C(=O)N2CCCC2 Z51818320 [1,0,0,0,0,0|0,1,1]=3 5 B16R2.46 CSC1=NC=C(C=C1)C(=O)N2CCCC2 Z281451632 [1,0,0,0,0,0|1,1,1]=4 6 B16R2.46 N#CC1=CC=C(C=C1)C(=O)N2CCCC2 Z31480423 [1,0,0,0,0,0|2,0,1]=4 7 B16R2.46 N#CC1=CC=C(C=C1)C(=O)N2CCCO2 Z1720329689 [1,0,0,0,0,0|3,0,0]=4 8 B16R2.46 NCC1=CC=C(C=C1)C(=O)N2CCCC2 Z235340055 [1,0,0,0,0,0|2,0,1]=4 9 B16R2.46 O=C(C1=CC=C(C=C1)CCl)N2CCCC2 Z147646762 [1,0,0,0,0,0|2,0,1]=4 10 B16R2.46 O=CC1=CC=C(C=C1)C(=O)N2CCCC2 Z1067997534 [1,0,0,0,0,0|2,0,1]=4 11 B16R2.51 N#CC1=CC=C(C=C1)CN2CCCC2=O Z295204848 [1,0,0,0,0,0|2,0,1]=4 12 B18R2.4364 CCC1=CC=C(C=C1)C(=O)N2CCCC2CN Z1154673236 [0,1,0,0,0,0|2,0,1]=4 13 B18R2.4365 COC1=CC=C(C=C1)C(=O)N2CCCS2(=O)=O Z762199566 [0,1,0,0,0,0|1,0,0]=2 14 B16R1.217 COC(=O)C(C)C(=O)C1=CC=C(C=C1)OC Z839827194 [0,0,1,0,0,0|2,0,0]=3 15 B16R1.4218 CCOC(=O)CC(=O)C1=CC=C(C=C1)OC Z362636642 [0,0,1,0,0,0|2,0,0]=3 16 B16R1.4603 CCCCCNC(=O)C1=CC=C(C=C1)OC Z31446124 [0,0,1,0,0,0|1,0,1]=3 17 B16R1.4603 CCCCCNC(=O)C1=CN=C(C=C1)OC Z168235402 [0,0,1,0,0,0|2,0,1]=4 18 B18R2.80 CCC1=CC=C(C=C1)C(=O)N2CCCC(C2)O Z68351419 [0,0,0,0,0,1|1,0,2]=4 19 B18R2.80 CCC1=CC=C(C=C1)C(=O)N2CCNC(=O)C2 Z31603033 [0,0,0,0,0,1|2,0,0]=3 20 B18R2.80 CSC1=CC=C(C=C1)C(=O)N2CCCC(C2)C Z51847735 [0,0,0,0,0,1|1,1,1]=4 21 B18R2.80 CSC1=CC=C(C=C1)C(=O)N2CCNC(=O)C2 Z52045309 [0,0,0,0,0,1|1,1,0]=3 22 B18R2.80 N#CC1=CC=C(C=C1)C(=O)N2CCNC(=O)C2 Z31602911 [0,0,0,0,0,1|3,0,0]=4 23 B18R2.4371 COC1=NC=C(C=C1)C(=O)OC2CCOC2=O Z152425204 [0,0,0,0,0,1|3,0,0]=4 24 B15R1.3 COC1=CC=C(C=C1)CN(C)C(=O)CCl Z90122554 [1,0,1,0,0,0|1,0,1]=4 25 B15R1.211 COC1=CC=C(C=C1)C(=O)NC(=O)CCl Z56907596 [1,0,1,0,0,0|1,0,0]=3 26 B15R1.3943 CCOC(=O)C(=O)C1=CC=C(C=C1)OC Z99601256 [1,0,1,0,0,0|2,0,0]=4 27 B15R1.218 CCN(CC)C(=O)C1=CC=C(C=C1)SC Z51851902 [1,0,1,0,0,0|0,1,1]=4 28 B15R1.23 CCOC(=O)NC(=O)C1=CC=C(C=C1)Cl Z107776088 [1,0,1,0,0,0|2,0,0]=4 29 B15R1.793 CCOC(=O)/C=C/C1=CC=C(C=C1)OC Z53833826 [1,0,1,0,0,0|2,0,0]=4 30 B15R1.1389 CCCCNC(=O)C1=CC=C(C=C1)OC Z31763388 [1,0,1,0,0,0|0,0,1]=3 31 B15R1.1389 CCCCNC(=O)C1=CN=C(C=C1)OC Z183603898 [1,0,1,0,0,0|1,0,1]=4 32 B15R2.34 COC1=CC=C(C=C1)CN2CCCC2 Z104342524 [2,0,0,0,0,0|0,0,2]=4 33 B15R2.91 CC1=CC=C(C=C1)C(=O)C2CCCC2 Z385421358 [2,0,0,0,0,0|1,0,1]=4 34 B15R2.91 CC1=CC=C(C=C1)C(=O)N2CCSC2 Z1127208023 [2,0,0,0,0,0|1,0,1]=4 35 B15R2.91 NC1=CC=C(C=C1)C(=O)N2CCCC2 Z239124088 [2,0,0,0,0,0|1,0,1]=4 36 B15R2.91 O=C(C1=CC=C(C=C1)Br)N2CCCC2 Z27753723 [2,0,0,0,0,0|1,0,1]=4 37 B15R2.91 O=C(C1=CC=C(C=C1)Cl)N2CCCC2 Z31480230 [2,0,0,0,0,0|1,0,1]=4 38 B15R2.91 O=C(C1=CC=C(C=C1)F)N2CCCC2 Z31480227 [2,0,0,0,0,0|1,0,1]=4 39 B15R2.91 O=C(C1=CC=C(C=C1)O)C2CCCN2 Z4320607413 [2,0,0,0,0,0|2,0,0]=4 40 B15R2.91 O=C(C1=CC=C(C=C1)O)N2CCCC2 Z68129365 [2,0,0,0,0,0|0,0,1]=3 41 B15R2.1510 NC1=CC=C(C=C1)CN2CCCC2=O Z239948878 [2,0,0,0,0,0|1,0,1]=4 42 B17R1.8620 CCOC(=O)CC(=O)C1=CC=C(C=C1)OCC Z362636646 [0,1,1,0,0,0|2,0,0]=4 43 B17R1.21738 CCOC(=O)NS(=O)(=O)C1=CC=C(C=C1)OC Z56762479 [0,1,1,0,0,0|2,0,0]=4 44 B17R1.239 COC1=CC=C(C=C1)C(=O)NCCCC(=O)O Z85888837 [0,1,1,0,0,0|0,0,0]=2 45 B17R1.5111 COCCCNC(=O)C1=CC(=C(C=C1)OC)Br Z89302292 [0,1,1,0,0,0|2,0,0]=4 46 B17R1.5111 COCCCNC(=O)C1=CC(=C(C=C1)OC)F Z87531180 [0,1,1,0,0,0|2,0,0]=4 47 B17R1.110601 CCCN(CC)C(=O)C1=C(C=C(C=C1)OC)Br Z996001800 [0,1,1,0,0,0|1,0,1]=4 48 B17R2.58 COC1=CC=C(C=C1)S(=O)(=O)N2CCCC2 Z45509012 [1,1,0,0,0,0|1,0,1]=4 49 B17R2.1965 COC1=CC(=C(C=C1)C(=O)N2CCCC2)F Z87526862 [1,1,0,0,0,0|0,0,1]=3 50 B17R2.1965 COC1=CC(=C(C=C1)C(=O)N2CCCC2)O Z68130090 [1,1,0,0,0,0|0,0,1]=3 51 B17R2.2439 COC1=C(C=C(C=C1)C(=O)N2CCCC2)Br Z89293573 [1,1,0,0,0,0|0,0,1]=3 52 B17R2.2439 COC1=C(C=C(C=C1)C(=O)N2CCCC2)F Z87526939 [1,1,0,0,0,0|0,0,1]=3 53 B17R2.2439 COC1=C(C=C(C=C1)C(=O)N2CCCC2)N Z239124098 [1,1,0,0,0,0|0,0,1]=3 54 B17R2.3320 COCC1=CC=C(C=C1)C(=O)N2CCCC2 Z51818404 [1,1,0,0,0,0|0,0,1]=3 55 B17R2.3320 CSCC1=CC=C(C=C1)C(=O)N2CCCC2 Z31479544 [1,1,0,0,0,0|0,1,1]=4 56 B17R2.5652 CN(C)C1=CC=C(C=C1)C(=O)N2CCCC2 Z31480440 [1,1,0,0,0,0|1,0,1]=4 57 B17R2.2354 NCCC1=CC=C(C=C1)CN2CCCC2=O Z1695797800 [1,1,0,0,0,0|1,0,1]=4 58 B17R2.3752 COC1=CC=C(C=C1)CN2CCC(=O)C2=O Z825512836 [1,1,0,0,0,0|0,0,2]=4 59 B17R2.445 O=C1CCCN1S(=O)(=O)C2=CC=C(C=C2)F Z111455980 [1,1,0,0,0,0|2,0,0]=4 60 B19R2.1069 COC1=CC(=C(C=C1)C(=O)N2CCCC(C2)C)O Z68137832 [0,1,0,0,0,1|1,0,1]=4 61 B19R2.1069 COC1=CC(=C(C=C1)C(=O)N2CCNC(=O)C2)O Z85250517 [0,1,0,0,0,1|1,0,0]=3 62 B19R2.2718 COC1=C(C=C(C=C1)C(=O)N2CCCC(C2)C)F Z87527627 [0,1,0,0,0,1|1,0,1]=4 63 B19R2.2718 COC1=C(C=C(C=C1)C(=O)N2CCNC(=O)C2)Br Z101691022 [0,1,0,0,0,1|1,0,0]=3 64 B19R2.4264 CCOC1=CC=C(C=C1)C(=O)N2CCCC(C2)O Z68351359 [0,1,0,0,0,1|0,0,2]=4 65 B19R2.4264 CCOC1=CC=C(C=C1)C(=O)N2CCNC(=O)C2 Z31602937 [0,1,0,0,0,1|1,0,0]=3 66 B19R2.4264 CCOC1=NC=C(C=C1)C(=O)N2CCNC(=O)C2 Z460810258 [0,1,0,0,0,1|2,0,0]=4 67 B19R2.101221 CC(C)C1=CC=C(C=C1)C(=O)N2CCNC(=O)C2 Z31602864 [0,1,0,0,0,1|2,0,0]=4 68 B19R2.101221 CN(C)C1=CC=C(C=C1)C(=O)N2CCNC(=O)C2 Z31602928 [0,1,0,0,0,1|2,0,0]=4 69 B19R2.4941 COC1=CC=C(C=C1)NC(=O)C2=C(CCC2)C#N Z1436006077 [0,1,0,0,0,1|2,0,0]=4 70 B19R2.4941 COC1=CC=C(C=C1)NC(=O)N2CCC[C@@H]2CO Z926912036 [0,1,0,0,0,1|0,0,2]=4 71 B19R2.4942 CCC1=CC=C(C=C1)CC(=O)N2CCCS2(=O)=O Z1687960153 [0,1,0,0,0,1|2,0,0]=4 72 B19R2.19456 COC1=C(C=C(C=C1)C(=O)N2CCCCC2C)F Z87565585 [0,1,0,0,0,1|1,0,1]=4 73 B19R2.46835 COCC1=CC=C(C=C1)C(=O)N2CCNCC2C Z2242908350 [0,1,0,0,0,1|1,0,1]=4 74 B19R2.195820 COC1=CC(=C(C=C1)C(=O)N2CCCCC2C)F Z87565509 [0,1,0,0,0,1|1,0,1]=4 75 B19R2.195820 COC1=CC(=C(C=C1)C(=O)N2CCCCC2C)O Z183725278 [0,1,0,0,0,1|1,0,1]=4 76 B19R2.51820 CC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCCC2=O Z235475290 [0,2,0,0,0,0|2,0,0]=4 77 B19R2.5082 COC1=CC=C(C=C1)C(=O)N2CCCC2C(=O)O Z85890964 [0,2,0,0,0,0|0,0,1]=3 78 B17R2.59 COC1=CC=C(C=C1)C2CCCN2C(=O)C Z140514758 [0,0,1,1,0,0|1,0,1]=4 79 B17R2.56 COC1=CC=C(C=C1)C(=O)NC2=NCCS2 Z30009129 [0,0,1,1,0,0|1,1,0]=4 80 B17R2.56 COC1=CC=C(C=C1)C(=O)NC2CCCC2 Z32413980 [0,0,1,1,0,0|1,0,1]=4 81 B17R2.3688 COC1=CC=C(C=C1)C(=O)NC(C)C2CC2 Z102343750 [0,0,1,1,0,0|1,0,1]=4 82 B17R2.8348 COC1=CC2=C(C=C1)C(=O)N(C2=O)CCO Z2478409627 [0,0,1,1,0,0|1,0,0]=3 83 B17R3.56503 O=C1C2=C(C=C(C=C2)Cl)N=C3N1CCC3 Z56943489 [1,0,0,1,0,0|2,0,0]=4 84 B19R3.1544250 COC1=CC2=C(C=C1)N=C(S2)N3CCCC3=O Z55670887 [0,0,0,1,0,1|0,1,0]=3 85 B15R2.7890 COC1=CC=C(C=C1)C(=O)N2CCC2 Z102876386 [1,0,0,0,1,0|0,0,0]=2 86 B15R2.7890 N#CC1=CC=C(C=C1)C(=O)N2CCC2 Z69031740 [1,0,0,0,1,0|2,0,0]=4 87 B15R2.36 CCC1=CC=C(C=C1)N2CCNC2=O Z1491195489 [1,0,0,0,1,0|2,0,0]=4 88 B15R2.36 COC1=CC=C(C=C1)C2CCNC2=O Z1251361570 [1,0,0,0,1,0|2,0,0]=4 89 B15R2.36 N#CC1=CC=C(C=C1)N2CCCC2=O Z55149003 [1,0,0,0,1,0|2,0,0]=4 90 B15R2.36 NCC1=CC=C(C=C1)N2CCCC2=O Z335451510 [1,0,0,0,1,0|2,0,0]=4 91 B15R2.36 O=CC1=CC=C(C=C1)N2CCCC2=O Z1190318787 [1,0,0,0,1,0|2,0,0]=4 92 B17R1.21815 COC1=CC=C(C=C1)NC(=O)NC(=O)CSC Z599630484 [0,0,1,0,0,1|1,0,0]=3 93 B17R2.52 CCC1=CC=C(C=C1)NC(=O)N2CCCC2 Z339583394 [1,0,0,0,0,1|1,0,1]=4 94 B17R2.52 COC1=CC=C(C=C1)CC(=O)N2CCCC2 Z31480416 [1,0,0,0,0,1|0,0,1]=3 95 B17R2.52 COC1=CC=C(C=C1)NC(=O)C2CCCO2 Z28137817 [1,0,0,0,0,1|2,0,0]=4 96 B17R2.52 COC1=CC=C(C=C1)NC(=O)N2CCCC2 Z104617856 [1,0,0,0,0,1|0,0,1]=3 97 B17R2.52 COC1=NC=C(C=C1)NC(=O)N2CCCC2 Z339722446 [1,0,0,0,0,1|1,0,1]=4 98 B17R2.52 CSC1=CC=C(C=C1)NC(=O)N2CCCC2 Z339627832 [1,0,0,0,0,1|0,1,1]=4 99 B17R2.191 CC1=CC=C(C=C1)C(=O)N2CCCC(C2)O Z68351336 [1,0,0,0,0,1|0,0,2]=4 100 B17R2.191 O=C1CN(CCN1)C(=O)C2=CC=C(C=C2)Cl Z31602718 [1,0,0,0,0,1|2,0,0]=4 101 B17R2.191 O=C1CN(CCN1)C(=O)C2=CC=C(C=C2)I Z31602742 [1,0,0,0,0,1|2,0,0]=4 102 B17R2.384 CC1=CC=C(C=C1)C(=O)OC2CCOC2=O Z18312135 [1,0,0,0,0,1|2,0,0]=4 103 B19R2.54 COC1=CC=C(C=C1)CC(=O)N2CCCC(C2)O Z68351377 [0,0,0,0,0,2|0,0,2]=4 104 B19R2.54 COC1=CC=C(C=C1)CC(=O)N2CCNC(=O)C2 Z31602904 [0,0,0,0,0,2|1,0,0]=3 105 B19R2.54 COC1=CC=C(C=C1)NC(=O)N2CCCC(C2)C Z104629974 [0,0,0,0,0,2|1,0,1]=4 106 B19R2.54 COC1=CC=C(C=C1)NC(=O)N2CCCC(C2)O Z104924048 [0,0,0,0,0,2|0,0,2]=4 107 B19R2.4944 COC1=CC=C(C=C1)NC(=O)N2CCCCC2C Z168794308 [0,0,0,0,0,2|1,0,1]=4 108 B19R2.4944 COC1=CC=C(C=C1)NC(=O)N2CCOCC2C Z362013586 [0,0,0,0,0,2|1,0,1]=4 109 B19R2.4948 CCC1=CC=C(C=C1)NC(=O)CN2CCSC2=O Z108807330 [0,0,0,0,0,2|2,0,0]=4 110 B19R2.4948 CCC1=CC=C(C=C1)NC(=O)CN2CSCC2=O Z30917416 [0,0,0,0,0,2|2,0,0]=4 111 B19R2.4948 COC1=CC=C(C=C1)NC(=O)CN2CCCC2=O Z79422600 [0,0,0,0,0,2|0,0,0]=2 112 B19R2.4948 COC1=CC=C(C=C1)NC(=O)CN2CCSC2=O Z108660356 [0,0,0,0,0,2|1,0,0]=3 113 B19R2.4948 CSC1=CC=C(C=C1)NC(=O)CN2CSCC2=O Z110124416 [0,0,0,0,0,2|1,1,0]=4 114 B19R2.5055 N#CC1=CC=C(C=C1)OCC(=O)N2CCCC2=O Z19739560 [0,0,0,0,0,2|2,0,0]=4