0 B25R3.362531453 COC1=C(C=C(C(=C1)/C=C(\C#N)/C2=NC3=C(N2)C=CC=C3)Br)O MCULE-7230888102 [0,0,0,0,0,0|0,0,0]=0 1 B25R3.362531453 COC1=C(C=C(C(=C1)C=C(C#N)C2=NC3=CC=CC=C3N2)Br)O MCULE-9223654325 [0,0,0,0,0,0|0,0,0]=0 2 B24R3.69769831 COC1=C(C=CC(=C1)C=C(C#N)C2=NC3=C(S2)C=CC=C3)C MCULE-1521013300 [1,0,0,0,0,0|2,0,0]=3 3 B24R3.69769831 COC1=C(C=CC(=C1)C=C(C#N)C2=NC3=CC=CC=C3N2)O MCULE-8524284159 [1,0,0,0,0,0|0,0,0]=1 4 B24R3.69769831 COC1=C(C=CC(=C1)C=C(C#N)C2=NC3=CC=CC=C3O2)O MCULE-4291812200 [1,0,0,0,0,0|1,0,0]=2 5 B24R3.69769831 COC1=CC(=CC=C1O)C=C(C#N)C2=NC3=C(S2)C=CC=C3 MCULE-9218771132 [1,0,0,0,0,0|1,0,0]=2 6 B26R3.67008465 COC1=C(C=C(C(=C1)Br)C=C(C#N)C2=NC3=C(N2)C=CC=C3)OC MCULE-7003702322 [0,1,0,0,0,0|0,0,0]=1 7 B26R3.67008465 COC1=C(C=C(C(=C1)Br)C=C(C#N)C2=NC3=C(S2)C=CC=C3)OC MCULE-4738178146 [0,1,0,0,0,0|1,0,0]=2 8 B26R3.67008465 COC1=CC(=C(C=C1OC)C=C(C#N)C2=NC3=C(N2)C=CC=C3)Br MCULE-9723014815 [0,1,0,0,0,0|0,0,0]=1 9 B26R3.67008465 COC1=CC(=C(C=C1OC)C=C(C#N)C2=NC3=C(N2)C=CC=C3)Cl MCULE-2195751743 [0,1,0,0,0,0|0,1,0]=2 10 B26R3.67036777 COC1=C(C=C(C(=C1)/C=C(\C#N)/C2=NC3=C(N2)C=CC(=C3)C)Br)O MCULE-1075881819 [0,1,0,0,0,0|0,0,0]=1 11 B26R3.67036777 COC1=C(C=C(C(=C1)C=C(C#N)C2=NC3=CC(=CC=C3N2)C)Br)O MCULE-9961742723 [0,1,0,0,0,0|0,0,0]=1 12 B26R3.309825646 COC1=CC(=C(C(=C1O)Br)Br)C=C(C#N)C2=NC3=C(N2)C=CC=C3 MCULE-4238462284 [0,1,0,0,0,0|0,0,0]=1 13 B26R3.838801277 N#CC(=CC1=CC(=C(C=C1Cl)O)[N+](=O)[O-])C2=NC3=CC=CC=C3N2 MCULE-3091358064 [0,1,0,0,0,0|2,1,0]=4 14 B26R3.1285631945 CCOC1=C(C=C(C(=C1)C=C(C#N)C2=NC3=CC=CC=C3N2)Br)O MCULE-6036321709 [0,1,0,0,0,0|0,0,0]=1 15 B24R2.1197164 COC1=C(C=C(C(=C1)C=C(C#N)C(=O)NC2=CC=CC=C2)Br)O MCULE-6363026865 [0,0,1,0,0,0|1,0,0]=2 16 B26R4.163491530 N#C/C(=C\C1=CC2=C(C=C1Br)OCO2)/C3=NC4=C(N3)C=CC=C4 MCULE-1782006539 [0,0,0,1,0,0|0,0,0]=1 17 B26R4.163491530 N#CC(=CC1=C(C=C2OCOC2=C1)Br)C3=NC4=C(N3)C=CC=C4 MCULE-4731675532 [0,0,0,1,0,0|0,0,0]=1 18 B26R4.163491530 N#CC(=CC1=C(C=C2OCOC2=C1)Br)C3=NC4=CC=CC=C4S3 MCULE-1320659224 [0,0,0,1,0,0|1,0,0]=2 19 B26R4.163491530 N#CC(=CC1=CC2=C(C=C1Cl)OCO2)C3=NC4=C(N3)C=CC=C4 MCULE-8545437347 [0,0,0,1,0,0|0,1,0]=2 20 B23R2.67355 COC1=C(C=CC(=C1)/C=C(\C#N)/C(=O)NC2=CC=CC=C2)O MCULE-5063299569 [1,0,1,0,0,0|1,0,0]=3 21 B23R2.67355 COC1=C(C=CC(=C1)C=C(C#N)C(=O)NC2=CC=CC=C2)O MCULE-7120420983 [1,0,1,0,0,0|1,0,0]=3 22 B23R3.20672104 N#CC(=CC1=C(C=CC(=C1)Br)F)C2=NC3=CC=CC=C3N2 MCULE-6105460240 [2,0,0,0,0,0|1,1,0]=4 23 B23R3.20672104 N#CC(=CC1=C(C=CC(=C1)Cl)O)C2=NC3=C(N2)C=CC=C3 MCULE-5160177414 [2,0,0,0,0,0|2,0,0]=4 24 B23R3.20672104 N#CC(=CC1=CC(=CC=C1O)Br)C2=NC3=C(N2)C=CC=C3 MCULE-6497228451 [2,0,0,0,0,0|2,0,0]=4 25 B23R3.228481148 COC1=CC(=CC=C1)C=C(C#N)C2=NC3=C(N2)C=CC=C3 MCULE-9805673692 [2,0,0,0,0,0|0,0,0]=2 26 B23R3.228481148 COC1=CC(=CC=C1)C=C(C#N)C2=NC3=C(S2)C=CC=C3 MCULE-6181131063 [2,0,0,0,0,0|1,0,0]=3 27 B23R3.228481148 COC1=CC=CC(=C1)C=C(C#N)C2=NC3=CC=CC=C3O2 MCULE-4168190597 [2,0,0,0,0,0|1,0,0]=3 28 B23R3.20792141 CC1=CC=C(C=C1Br)C=C(C#N)C2=NC3=C(N2)C=CC=C3 MCULE-9643042879 [2,0,0,0,0,0|2,0,0]=4 29 B23R3.20792141 N#CC(=CC1=CC(=C(C=C1)Cl)Cl)C2=NC3=CC=CC=C3N2 MCULE-1910227494 [2,0,0,0,0,0|2,0,0]=4 30 B23R3.20792141 N#CC(=CC1=CC(=C(C=C1)F)Br)C2=NC3=C(N2)C=CC=C3 MCULE-2947254170 [2,0,0,0,0,0|2,0,0]=4 31 B23R3.20792141 N#CC(=CC1=CC(=C(C=C1)O)Br)C2=NC3=CC=CC=C3N2 MCULE-3727234896 [2,0,0,0,0,0|1,0,0]=3 32 B23R3.20792141 N#CC(=CC1=CC(=C(C=C1)O)Cl)C2=NC3=CC=CC=C3N2 MCULE-4954877806 [2,0,0,0,0,0|1,0,0]=3 33 B23R3.20792141 N#CC(=CC1=CC(=C(C=C1)O)O)C2=NC3=C(S2)C=CC=C3 MCULE-9260010125 [2,0,0,0,0,0|1,0,0]=3 34 B23R3.20792141 N#CC(=CC1=CC=C(C(=C1)I)O)C2=NC3=C(N2)C=CC=C3 MCULE-8629891044 [2,0,0,0,0,0|1,0,0]=3 35 B23R3.20792141 N#CC(=CC1=CC=C(C(=C1)O)O)C2=NC3=CC=CC=C3N2 MCULE-4137827741 [2,0,0,0,0,0|0,0,0]=2 36 B23R3.42422079 N#CC(=CC1=C(C=C(C=C1)Cl)Cl)C2=NC3=CC=CC=C3N2 MCULE-7197290751 [2,0,0,0,0,0|1,1,0]=4 37 B23R3.42422079 N#CC(=CC1=C(C=C(C=C1)O)O)C2=NC3=C(N2)C=CC=C3 MCULE-8737001149 [2,0,0,0,0,0|1,0,0]=3 38 B23R3.42422079 N#CC(=CC1=CC=C(C=C1O)O)C2=NC3=CC=CC=C3S2 MCULE-9850723543 [2,0,0,0,0,0|2,0,0]=4 39 B25R3.93110178 COC1=CC(=C(C=C1)OC)C=C(C#N)C2=NC3=C(N2)C=CC=C3 MCULE-1317354535 [1,1,0,0,0,0|1,0,0]=3 40 B25R3.93110178 COC1=CC(=C(C=C1)OC)C=C(C#N)C2=NC3=CC=CC=C3S2 MCULE-9623192896 [1,1,0,0,0,0|2,0,0]=4 41 B25R3.93110178 COC1=CC=C(C(=C1)C=C(C#N)C2=NC3=CC=CC=C3O2)OC MCULE-3081364871 [1,1,0,0,0,0|2,0,0]=4 42 B25R3.7173950 COC1=C(C=CC(=C1)C=C(C#N)C2=NC3=C(N2)C=C(C=C3)C)O MCULE-6041685749 [1,1,0,0,0,0|0,0,0]=2 43 B25R3.7173950 COC1=C(C=CC(=C1)C=C(C#N)C2=NC3=C(N2)C=C(C=N3)Br)O MCULE-1204402674 [1,1,0,0,0,0|1,0,0]=3 44 B25R3.221455814 COC1=C(C(=CC(=C1)/C=C(\C#N)/C2=NC3=C(N2)C=CC=C3)Br)O MCULE-1752787287 [1,1,0,0,0,0|0,0,0]=2 45 B25R3.221455814 COC1=C(C(=CC(=C1)C=C(C#N)C2=NC3=C(S2)C=CC=C3)Cl)O MCULE-8767079144 [1,1,0,0,0,0|1,0,0]=3 46 B25R3.221455814 COC1=C(C(=CC(=C1)C=C(C#N)C2=NC3=CC=CC=C3N2)Br)O MCULE-2161399839 [1,1,0,0,0,0|0,0,0]=2 47 B25R3.221455814 COC1=C(C(=CC(=C1)C=C(C#N)C2=NC3=CC=CC=C3N2)Cl)O MCULE-1668799658 [1,1,0,0,0,0|0,0,0]=2 48 B25R3.221455814 COC1=C(C(=CC(=C1)C=C(C#N)C2=NC3=CC=CC=C3N2)I)O MCULE-5782182504 [1,1,0,0,0,0|0,0,0]=2 49 B25R3.221455814 COC1=CC(=CC(=C1O)Br)C=C(C#N)C2=NC3=C(S2)C=CC=C3 MCULE-4112938332 [1,1,0,0,0,0|1,0,0]=3 50 B25R3.221455814 COC1=CC(=CC(=C1O)Cl)/C=C(\C#N)/C2=NC3=C(S2)C=CC=C3 MCULE-2622837482 [1,1,0,0,0,0|1,0,0]=3 51 B25R3.237464249 CCOC1=C(C=CC(=C1)C=C(C#N)C2=NC3=C(S2)C=CC=C3)O MCULE-9634767531 [1,1,0,0,0,0|1,0,0]=3 52 B25R3.237464249 CCOC1=CC(=CC=C1O)C=C(C#N)C2=NC3=CC=CC=C3N2 MCULE-9989400830 [1,1,0,0,0,0|0,0,0]=2 53 B25R3.258542520 N#CC(=CC1=CC(=C(C=C1)O)[N+](=O)[O-])C2=NC3=C(N2)C=CC=C3 MCULE-5633640254 [1,1,0,0,0,0|2,0,0]=4 54 B25R3.1260297052 COC1=C(C=C(C=C1)C=C(C#N)C2=NC3=C(N2)C=CC=C3)OC MCULE-6640145359 [1,1,0,0,0,0|0,0,0]=2 55 B25R3.1260297052 COC1=CC=C(C=C1OC)/C=C(\C#N)/C2=NC3=C(S2)C=CC=C3 MCULE-2502426949 [1,1,0,0,0,0|1,0,0]=3 56 B25R3.1260297052 COC1=CC=C(C=C1OC)C=C(C#N)C2=NC3=C(N2)C=CC=C3 MCULE-9037537164 [1,1,0,0,0,0|0,0,0]=2 57 B25R3.1260297052 COC1=CC=C(C=C1OC)C=C(C#N)C2=NC3=C(S2)C=CC=C3 MCULE-3532418212 [1,1,0,0,0,0|1,0,0]=3 58 B25R3.1260297052 COC1=CC=C(C=C1OC)C=C(C#N)C2=NC3=CC=CC=C3O2 MCULE-1306343022 [1,1,0,0,0,0|1,0,0]=3 59 B25R3.35908166 CC1=CC2=C(C=C1)NC(=N2)/C(=C/C3=CC(=C(C=C3C)C)C)/C#N MCULE-8362858303 [1,1,0,0,0,0|2,0,0]=4 60 B25R3.35908166 CC1=CC2=C(C=C1)NC(=N2)C(=CC3=CC(=C(C=C3C)C)C)C#N MCULE-8435998978 [1,1,0,0,0,0|2,0,0]=4 61 B25R3.390462697 N#C/C(=C\C1=C(C(=C(C(=C1)Br)O)Br)O)/C2=NC3=C(N2)C=CC=C3 MCULE-4518099943 [1,1,0,0,0,0|2,0,0]=4 62 B25R3.390462697 N#CC(=CC1=C(C(=C(C(=C1)Br)O)Br)O)C2=NC3=C(N2)C=CC=C3 MCULE-5534298576 [1,1,0,0,0,0|2,0,0]=4 63 B25R3.1143877976 N#CC(=CC1=C(C(=C(C=C1Br)Br)O)Br)C2=NC3=C(N2)C=CC=C3 MCULE-2866668200 [1,1,0,0,0,0|1,0,0]=3 64 B27R3.444566479 COC1=C(C=C(C(=C1)Br)C=C(C#N)C2=NC3=C(N2)C=C(C=C3)C)OC MCULE-2802677533 [0,2,0,0,0,0|0,0,0]=2 65 B27R3.444566479 COC1=CC(=C(C=C1OC)C=C(C#N)C2=NC3=C(N2)C=CC(=C3)C)Br MCULE-4980978207 [0,2,0,0,0,0|0,0,0]=2 66 B27R3.444566514 COC1=CC(=C(C=C1C=C(C#N)C2=NC3=CC=CC=C3N2)OC)OC MCULE-5373239806 [0,2,0,0,0,0|1,0,0]=3 67 B27R3.444566514 COC1=CC(=C(C=C1OC)OC)C=C(C#N)C2=NC3=CC=CC=C3S2 MCULE-3423346111 [0,2,0,0,0,0|2,0,0]=4 68 B27R3.98704539 CCOC1=C(C=C(C(=C1)C=C(C#N)C2=NC3=C(N2)C=CC(=C3)C)Br)O MCULE-8894995495 [0,2,0,0,0,0|0,0,0]=2 69 B27R3.1131298117 COC1=C(C=C(C(=C1)C=C(C#N)C2=NC3=CC(=C(C=C3N2)C)C)Br)O MCULE-4197714291 [0,2,0,0,0,0|0,0,0]=2 70 B27R3.1284909019 CCOC1=C(C(=C(C(=C1)C=C(C#N)C2=NC3=C(S2)C=CC=C3)Br)Br)O MCULE-7937032925 [0,2,0,0,0,0|1,0,0]=3 71 B27R3.1284909019 CCOC1=CC(=C(C(=C1O)Br)Br)/C=C(\C#N)/C2=NC3=CC=CC=C3N2 MCULE-6679869684 [0,2,0,0,0,0|0,0,0]=2 72 B27R3.1284909019 CCOC1=CC(=C(C(=C1O)Br)Br)C=C(C#N)C2=NC3=CC=CC=C3N2 MCULE-5593916605 [0,2,0,0,0,0|0,0,0]=2 73 B25R3.217728 N#CC(=CC1=CC2=C(C=C1Br)OCO2)C(=O)NC3=CC=CC=C3 MCULE-7892246672 [0,0,1,1,0,0|1,0,0]=3 74 B25R4.56890355 N#CC(=CC1=CC=C2OCOC2=C1)C3=NC4=CC=CC=C4N3 MCULE-4458289289 [1,0,0,1,0,0|0,0,0]=2 75 B25R4.56890355 N#CC(=CC1=CC=C2OCOC2=C1)C3=NC4=CC=CC=C4S3 MCULE-1905728970 [1,0,0,1,0,0|1,0,0]=3 76 B27R4.32811621 CC1=CC2=C(C=C1)NC(=N2)/C(=C/C3=CC4=C(C=C3Br)OCO4)/C#N MCULE-1942428734 [0,1,0,1,0,0|0,0,0]=2 77 B27R4.32811621 CC1=CC=C2NC(=NC2=C1)C(=CC3=C(C=C4OCOC4=C3)Br)C#N MCULE-2225779246 [0,1,0,1,0,0|0,0,0]=2 78 B27R4.32811621 CC1=CC=C2NC(=NC2=C1)C(=CC3=C(C=C4OCOC4=C3)Cl)C#N MCULE-5990683432 [0,1,0,1,0,0|0,1,0]=3 79 B27R4.41898857 COC1=CC2=C(C=C1C=C(C#N)C3=NC4=CC=CC=C4N3)OCO2 MCULE-6072487946 [0,1,0,1,0,0|1,0,0]=3 80 B25R3.103861773 COC1=C(C=C(C=C1Br)Br)C=C(C#N)C2=NC3=C(N2)C=CC=C3 MCULE-1035534745 [0,0,0,0,1,1|1,0,0]=3 81 B25R3.103861773 COC1=C(C=C(C=C1C=C(C#N)C2=NC3=C(N2)C=CC=C3)Cl)Cl MCULE-4491861195 [0,0,0,0,1,1|1,1,0]=4 82 B25R3.103861773 COC1=C(C=C(C=C1I)I)C=C(C#N)C2=NC3=C(N2)C=CC=C3 MCULE-4829395273 [0,0,0,0,1,1|1,1,0]=4