0 B26R3.16558224 CN1CCCC1CCOC(C)(c2ccccc2)c3ccc(cc3)Cl 34a_100016991996_100000005710 [0,0,0,0,0,0|0,0,0]=0 1 B26R3.16558224 CN1CCCC1CCOC(C)(c2ccccc2)c3ccc(cc3)Cl 7a_100016991996_100000005710 [0,0,0,0,0,0|0,0,0]=0 2 B25R3.835593 CN1CCCC1CCOC(c2ccccc2)c3ccc(cc3)Br 34a_100011217567_100000005710 [1,0,0,0,0,0|0,1,0]=2 3 B25R3.835593 CN1CCCC1CCOC(c2ccccc2)c3ccc(cc3)Br 7a_100011217567_100000005710 [1,0,0,0,0,0|0,1,0]=2 4 B25R3.835593 CN1CCCC1CCSC(c2ccc(cc2)Cl)c3ccccn3 62a_100000005710_200010188304 [1,0,0,0,0,0|1,1,0]=3 5 B25R3.835593 CN1CCCC1CCSC(c2ccc(cc2)Cl)c3ccccn3 62a_200010188304_100000005710 [1,0,0,0,0,0|1,1,0]=3 6 B25R3.835593 CN1CCCC1CCSC(c2ccccc2)c3ccc(cc3)Cl 62a_100000005710_100000211669 [1,0,0,0,0,0|0,1,0]=2 7 B25R3.835593 CN1CCCC1CCSC(c2ccccc2)c3ccc(cc3)Cl 62a_100000211669_100000005710 [1,0,0,0,0,0|0,1,0]=2 8 B27R3.19244373 CN1CCCC1CCOC(C)(c2ccc(cc2)Cl)c3ccc(cc3)Cl 34a_100000499747_100000005710 [0,1,0,0,0,0|0,0,0]=1 9 B27R3.19244373 CN1CCCC1CCOC(C)(c2ccc(cc2)Cl)c3ccc(cc3)Cl 7a_100000499747_100000005710 [0,1,0,0,0,0|0,0,0]=1 10 B25R2.75192 CC(OCCCCCCCO)(c1ccccc1)c2ccc(cc2)Cl 34a_100016991996_100000760002 [0,0,1,0,0,0|2,0,0]=3 11 B25R2.75192 CC(OCCCCCCCO)(c1ccccc1)c2ccc(cc2)Cl 7a_100016991996_100000760002 [0,0,1,0,0,0|2,0,0]=3 12 B25R2.75192 COCCCCCCOC(C)(c1ccccc1)c2ccc(cc2)Cl 34a_100016991996_100011998445 [0,0,1,0,0,0|1,0,0]=2 13 B25R2.75192 COCCCCCCOC(C)(c1ccccc1)c2ccc(cc2)Cl 7a_100016991996_100011998445 [0,0,1,0,0,0|1,0,0]=2 14 B27R3.19244369 CC1CCCN(C1)CCOC(C)(c2ccccc2)c3ccc(cc3)Cl 34a_100016991996_100000766211 [0,0,0,0,0,1|2,0,0]=3 15 B27R3.19244369 CC1CCCN(C1)CCOC(C)(c2ccccc2)c3ccc(cc3)Cl 7a_100016991996_100000766211 [0,0,0,0,0,1|2,0,0]=3 16 B27R3.60449506 CN1CCCCC1CCOC(C)(c2ccccc2)c3ccc(cc3)Cl 34a_100016991996_100000211948 [0,0,0,0,0,1|0,0,0]=1 17 B27R3.60449506 CN1CCCCC1CCOC(C)(c2ccccc2)c3ccc(cc3)Cl 7a_100016991996_100000211948 [0,0,0,0,0,1|0,0,0]=1 18 B24R2.28496 CCCCCCCCOC(c1ccccc1)c2ccc(cc2)N 34a_100011236343_100000210759 [1,0,1,0,0,0|2,0,0]=4 19 B24R2.28496 CCCCCCCCOC(c1ccccc1)c2ccc(cc2)N 7a_100011236343_100000210759 [1,0,1,0,0,0|2,0,0]=4 20 B24R2.28496 CCCCCOCCOC(c1ccccc1)c2ccc(cc2)Cl 7a_100011215259_100000211669 [1,0,1,0,0,0|2,0,0]=4 21 B24R2.28496 CCCCOCCCOC(c1ccccc1)c2ccc(cc2)Cl 7a_200011215613_100000211669 [1,0,1,0,0,0|2,0,0]=4 22 B24R2.28496 COCCCCCCNC(c1ccccc1)c2ccc(cc2)Cl 2230a_100000737946_100011998445 [1,0,1,0,0,0|2,0,0]=4 23 B24R2.28496 COCCCCCCNC(c1ccccc1)c2ccc(cc2)Cl 34a_100000737946_100011998445 [1,0,1,0,0,0|2,0,0]=4 24 B24R2.28496 COCCCCCCOC(c1ccc(cc1)Cl)c2ccccn2 34a_100000242608_100011998445 [1,0,1,0,0,0|2,0,0]=4 25 B24R2.28496 COCCCCCCOC(c1ccc(cc1)Cl)c2ccccn2 7a_200012092642_200010188304 [1,0,1,0,0,0|2,0,0]=4 26 B24R2.28496 COCCCCCCOC(c1ccccc1)c2ccc(cc2)Br 34a_100011217567_100011998445 [1,0,1,0,0,0|1,1,0]=4 27 B24R2.28496 COCCCCCCOC(c1ccccc1)c2ccc(cc2)Br 7a_100011217567_100011998445 [1,0,1,0,0,0|1,1,0]=4 28 B24R2.28496 COCCCCCCOC(c1ccccc1)c2ccc(cc2)C 34a_100000212064_100011998445 [1,0,1,0,0,0|2,0,0]=4 29 B24R2.28496 COCCCCCCOC(c1ccccc1)c2ccc(cc2)C 7a_100000212064_100011998445 [1,0,1,0,0,0|2,0,0]=4 30 B24R2.28496 COCCCCCCOC(c1ccccc1)c2ccc(cc2)Cl 34a_100000211768_100011998445 [1,0,1,0,0,0|1,0,0]=3 31 B24R2.28496 COCCCCCCOC(c1ccccc1)c2ccc(cc2)Cl 7a_100000211768_100011998445 [1,0,1,0,0,0|1,0,0]=3 32 B24R2.28496 COCCCCCCOC(c1ccccc1)c2ccc(cc2)Cl 7a_200012092642_100000211669 [1,0,1,0,0,0|1,0,0]=3 33 B24R2.28496 COCCCCCCOC(c1ccccc1)c2ccc(cc2)F 34a_200000246460_100011998445 [1,0,1,0,0,0|1,1,0]=4 34 B24R2.28496 COCCCCCCOC(c1ccccc1)c2ccc(cc2)F 7a_200000246460_100011998445 [1,0,1,0,0,0|1,1,0]=4 35 B24R2.28496 N#CCCCCCCOC(c1ccccc1)c2ccc(cc2)Cl 7a_100000211768_100009813337 [1,0,1,0,0,0|2,0,0]=4 36 B24R2.28496 OCCCCCCCOC(c1ccccc1)c2ccc(cc2)Cl 34a_100000211768_100000760002 [1,0,1,0,0,0|2,0,0]=4 37 B24R2.28496 OCCCCCCCOC(c1ccccc1)c2ccc(cc2)Cl 7a_100000211768_100000760002 [1,0,1,0,0,0|2,0,0]=4 38 B24R2.72613 C#CCCCCCCOC(C)(c1ccccc1)c2ccccc2 7a_100011202337_100012276617 [1,0,1,0,0,0|1,0,1]=4 39 B24R2.72613 CC(OCCCCCCC#N)(c1ccccc1)c2ccccc2 7a_100011202337_100009813337 [1,0,1,0,0,0|2,0,0]=4 40 B24R2.72613 CCCCCCCCOC(C)(c1ccccc1)c2ccccn2 7a_200000075192_100000210759 [1,0,1,0,0,0|2,0,0]=4 41 B24R2.72613 COCCCCCCOC(C)(c1ccccc1)c2ccccc2 7a_100011202337_100011998445 [1,0,1,0,0,0|1,0,0]=3 42 B24R2.172264 C#CCCCCCOC(C)(c1ccccc1)c2ccc(cc2)Cl 34a_100016991996_100012094781 [1,0,1,0,0,0|0,0,2]=4 43 B24R2.172264 C#CCCCCCOC(C)(c1ccccc1)c2ccc(cc2)Cl 7a_100016991996_100012094781 [1,0,1,0,0,0|0,0,2]=4 44 B24R2.172264 CC(OCCCCCC#N)(c1ccccc1)c2ccc(cc2)Cl 7a_100016991996_100009813376 [1,0,1,0,0,0|0,0,2]=4 45 B24R2.172264 CC(OCCCCCC=O)(c1ccccc1)c2ccc(cc2)Cl 7a_100016991996_100000139337 [1,0,1,0,0,0|1,0,1]=4 46 B24R2.172264 CC(OCCCCCCO)(c1ccccc1)c2ccc(cc2)Cl 34a_100016991996_100000766143 [1,0,1,0,0,0|1,0,0]=3 47 B24R2.172264 CC(OCCCCCCO)(c1ccccc1)c2ccc(cc2)Cl 7a_100016991996_100000766143 [1,0,1,0,0,0|1,0,0]=3 48 B24R2.172264 CCCCOCCOC(C)(c1ccccc1)c2ccc(cc2)Cl 34a_100016991996_100000743108 [1,0,1,0,0,0|1,0,0]=3 49 B24R2.172264 CCCCOCCOC(C)(c1ccccc1)c2ccc(cc2)Cl 7a_100016991996_100000743108 [1,0,1,0,0,0|1,0,0]=3 50 B24R2.6006 CCCC(CCOC(c1ccc(cc1)Cl)c2ccccn2)SC 7a_100000032865_200010188304 [1,0,1,0,0,0|2,0,0]=4 51 B24R3.1072082 Cc1ccc(cc1)C(OCCC2CCCC2)c3ccccc3 34a_100000212064_100000760354 [2,0,0,0,0,0|2,0,0]=4 52 B24R3.1072082 Cc1ccc(cc1)C(OCCC2CCCC2)c3ccccc3 7a_100000212064_100000760354 [2,0,0,0,0,0|2,0,0]=4 53 B24R3.1072082 Clc1ccc(cc1)C(NCCC2CCCC2)c3ccccc3 2230a_100000737946_100000760354 [2,0,0,0,0,0|2,0,0]=4 54 B24R3.1072082 Clc1ccc(cc1)C(NCCC2CCCC2)c3ccccc3 2230a_100000739158_100000211669 [2,0,0,0,0,0|2,0,0]=4 55 B24R3.1072082 Clc1ccc(cc1)C(NCCC2CCCC2)c3ccccc3 270004a_100000739158_100000211064 [2,0,0,0,0,0|2,0,0]=4 56 B24R3.1072082 Clc1ccc(cc1)C(NCCC2CCCC2)c3ccccc3 34a_100000737946_100000760354 [2,0,0,0,0,0|2,0,0]=4 57 B24R3.1072082 Clc1ccc(cc1)C(OCCC2CCCC2)c3ccccn3 34a_100000242608_100000760354 [2,0,0,0,0,0|2,0,0]=4 58 B24R3.1072082 Clc1ccc(cc1)C(OCCC2CCCC2)c3ccccn3 7a_100000749090_200010188304 [2,0,0,0,0,0|2,0,0]=4 59 B24R3.1072082 Fc1ccc(cc1)C(OCCC2CCCC2)c3ccccc3 34a_200000246460_100000760354 [2,0,0,0,0,0|1,1,0]=4 60 B24R3.1072082 Fc1ccc(cc1)C(OCCC2CCCC2)c3ccccc3 7a_200000246460_100000760354 [2,0,0,0,0,0|1,1,0]=4 61 B24R3.446523 CC(OCCC1CCCC1)(c2ccccc2)c3ccccc3 7a_100011202337_100000760354 [2,0,0,0,0,0|1,0,0]=3 62 B26R2.71615 COCCOCCCOC(C)(c1ccc(cc1)Cl)c2ccc(cc2)Cl 34a_100000499747_100011216529 [0,1,1,0,0,0|2,0,0]=4 63 B26R2.71615 COCCOCCCOC(C)(c1ccc(cc1)Cl)c2ccc(cc2)Cl 7a_100000499747_100011216529 [0,1,1,0,0,0|2,0,0]=4 64 B26R2.879337 CC(OCCCCCCCCO)(c1ccccc1)c2ccc(cc2)Cl 34a_100016991996_100000033203 [0,1,1,0,0,0|1,0,0]=3 65 B26R2.879337 CC(OCCCCCCCCO)(c1ccccc1)c2ccc(cc2)Cl 7a_100016991996_100000033203 [0,1,1,0,0,0|1,0,0]=3 66 B26R2.1497407 C#CC(O)CCCCCOC(C)(c1ccccc1)c2ccc(cc2)Cl 34a_100016991996_200010408556 [0,1,1,0,0,0|1,0,1]=4 67 B26R2.1497407 C#CC(O)CCCCCOC(C)(c1ccccc1)c2ccc(cc2)Cl 7a_100016991996_200010408556 [0,1,1,0,0,0|1,0,1]=4 68 B26R2.1497407 COC(=O)CCCCCOC(C)(c1ccccc1)c2ccc(cc2)Cl 34a_100016991996_100009816466 [0,1,1,0,0,0|1,0,1]=4 69 B26R2.1497407 COC(=O)CCCCCOC(C)(c1ccccc1)c2ccc(cc2)Cl 7a_100016991996_100009816466 [0,1,1,0,0,0|1,0,1]=4 70 B26R2.9257139 CC(=O)OCCCCCOC(C)(c1ccccc1)c2ccc(cc2)Cl 34a_100016991996_100000033007 [0,1,1,0,0,0|2,0,0]=4 71 B26R2.9257139 CC(=O)OCCCCCOC(C)(c1ccccc1)c2ccc(cc2)Cl 7a_100016991996_100000033007 [0,1,1,0,0,0|2,0,0]=4 72 B26R2.5177502 CCOC(CCOC(C)(c1ccccc1)c2ccc(cc2)Cl)OCC 34a_100016991996_100000033671 [0,1,1,0,0,0|2,0,0]=4 73 B26R2.5177502 CCOC(CCOC(C)(c1ccccc1)c2ccc(cc2)Cl)OCC 7a_100016991996_100000033671 [0,1,1,0,0,0|2,0,0]=4 74 B26R3.497801 CN1CCCC1CCNC(c2ccc(cc2)Br)c3ccc(cc3)Br 270004a_100011219722_100011219889 [1,1,0,0,0,0|1,1,0]=4 75 B26R3.497801 CN1CCCC1CCNC(c2ccc(cc2)Cl)c3ccc(cc3)Br 270004a_100011219722_100011267714 [1,1,0,0,0,0|1,0,0]=3 76 B26R3.497801 CN1CCCC1CCNC(c2ccc(cc2)Cl)c3ccc(cc3)Cl 270004a_100011219722_100000297488 [1,1,0,0,0,0|1,0,0]=3 77 B26R3.497801 CN1CCCC1CCOC(c2ccc(cc2)Cl)c3ccc(cc3)Cl 34a_100000272391_100000005710 [1,1,0,0,0,0|0,0,0]=2 78 B26R3.497801 CN1CCCC1CCOC(c2ccc(cc2)Cl)c3ccc(cc3)Cl 7a_100000272391_100000005710 [1,1,0,0,0,0|0,0,0]=2 79 B26R3.497801 CN1CCCC1CCOC(c2ccc(cc2)Cl)c3ccc(cc3)Cl 7a_100011215177_100000230178 [1,1,0,0,0,0|0,0,0]=2 80 B26R3.497801 CN1CCCC1CCOC(c2ccc(cc2)F)c3ccc(cc3)Cl 34a_100000373138_100000005710 [1,1,0,0,0,0|0,0,0]=2 81 B26R3.497801 CN1CCCC1CCOC(c2ccc(cc2)F)c3ccc(cc3)Cl 7a_100000373138_100000005710 [1,1,0,0,0,0|0,0,0]=2 82 B26R3.497801 CN1CCCC1CCSC(c2ccc(cc2)F)c3ccc(cc3)F 62a_100000005710_100000211696 [1,1,0,0,0,0|0,2,0]=4 83 B26R3.497801 CN1CCCC1CCSC(c2ccc(cc2)F)c3ccc(cc3)F 62a_100000211696_100000005710 [1,1,0,0,0,0|0,2,0]=4 84 B26R3.2867341 CN1CCCC1CCNC(c2ccccc2)c3ccc(c(c3)Cl)Cl 270004a_100011219722_100011215129 [1,1,0,0,0,0|1,0,0]=3 85 B26R3.18348608 CN1CCCC1CCNC(c2ccccc2)c3ccc(cc3Cl)Cl 270004a_100011219722_100011217691 [1,1,0,0,0,0|1,0,0]=3 86 B26R3.53818851 CN1CCCC1CCNC(c2ccc(cc2)Cl)c3cccc(c3)Cl 270004a_100011219722_200011267713 [1,1,0,0,0,0|1,0,0]=3 87 B26R3.53818851 CN1CCCC1CCOC(c2ccc(cc2)Br)c3cccc(c3)F 34a_200000373125_100000005710 [1,1,0,0,0,0|0,1,0]=3 88 B26R3.53818851 CN1CCCC1CCOC(c2ccc(cc2)Br)c3cccc(c3)F 7a_200000373125_100000005710 [1,1,0,0,0,0|0,1,0]=3 89 B26R3.53818851 CN1CCCC1CCOC(c2ccc(cc2)Cl)c3cccc(c3)F 34a_200000373141_100000005710 [1,1,0,0,0,0|0,0,0]=2 90 B26R3.53818851 CN1CCCC1CCOC(c2ccc(cc2)Cl)c3cccc(c3)F 7a_200000373141_100000005710 [1,1,0,0,0,0|0,0,0]=2 91 B26R3.53818851 CN1CCCC1CCOC(c2ccc(cc2)F)c3cccc(c3)Br 34a_200000373208_100000005710 [1,1,0,0,0,0|0,1,0]=3 92 B26R3.53818851 CN1CCCC1CCOC(c2ccc(cc2)F)c3cccc(c3)Br 7a_200000373208_100000005710 [1,1,0,0,0,0|0,1,0]=3 93 B26R3.53818851 CN1CCCC1CCOC(c2ccc(cc2)F)c3cccc(c3)Cl 34a_200000373149_100000005710 [1,1,0,0,0,0|0,1,0]=3 94 B26R3.53818851 CN1CCCC1CCOC(c2ccc(cc2)F)c3cccc(c3)Cl 7a_200000373149_100000005710 [1,1,0,0,0,0|0,1,0]=3 95 B26R3.53838455 CN1CCCC1CCNC(c2ccc(cc2)Cl)c3ccccc3Cl 270004a_100011219722_100000287701 [1,1,0,0,0,0|1,0,0]=3 96 B26R3.16557603 CC(COC(C)(c1ccccc1)c2ccc(cc2)Cl)N3CCCC3 7a_100016991996_200015187269 [1,1,0,0,0,0|2,0,0]=4 97 B26R3.16558179 CC(OCCC1OCCO1)(c2ccc(cc2)Cl)c3ccc(cc3)Cl 34a_100000499747_100000740749 [1,1,0,0,0,0|2,0,0]=4 98 B26R3.16558179 CC(OCCC1OCCO1)(c2ccc(cc2)Cl)c3ccc(cc3)Cl 7a_100000499747_100000740749 [1,1,0,0,0,0|2,0,0]=4 99 B26R3.16558179 CC(OCCN1CCCC1)(c2ccc(cc2)Cl)c3ccc(cc3)Cl 7a_100000499747_100000004467 [1,1,0,0,0,0|2,0,0]=4 100 B26R3.16558174 CC(OCCC1CCC1=O)(c2ccc(cc2)Cl)c3ccc(cc3)Cl 7a_100000499747_200016118888 [0,1,0,0,1,0|2,0,0]=4 101 B26R3.2731742 CC(OCCC1CCOCC1)(c2ccccc2)c3ccc(cc3)Cl 34a_100016991996_100011934994 [0,0,1,1,0,0|2,0,0]=4 102 B26R3.2731742 CC(OCCC1CCOCC1)(c2ccccc2)c3ccc(cc3)Cl 7a_100016991996_100011934994 [0,0,1,1,0,0|2,0,0]=4 103 B26R3.2731742 CC(OCCN1CCCCC1)(c2ccccc2)c3ccc(cc3)Cl 34a_100016991996_100000739454 [0,0,1,1,0,0|2,0,0]=4 104 B26R3.2731742 CC(OCCN1CCCCC1)(c2ccccc2)c3ccc(cc3)Cl 7a_100016991996_100000739454 [0,0,1,1,0,0|2,0,0]=4 105 B26R3.2731742 CC(OCOC1CCCCC1)(c2ccccc2)c3ccc(cc3)Cl 34a_100016991996_100011935260 [0,0,1,1,0,0|2,0,0]=4 106 B26R3.2731742 CC(OCOC1CCCCC1)(c2ccccc2)c3ccc(cc3)Cl 7a_100016991996_100011935260 [0,0,1,1,0,0|2,0,0]=4 107 B26R3.16557631 CC(OCCCN1CCCC1)(c2ccccc2)c3ccc(cc3)Cl 34a_100016991996_100016991639 [0,0,1,1,0,0|2,0,0]=4 108 B26R3.16557631 CC(OCCCN1CCCC1)(c2ccccc2)c3ccc(cc3)Cl 7a_100016991996_100011445909 [0,0,1,1,0,0|2,0,0]=4 109 B26R3.53816848 CN1CCCCC1COC(C)(c2ccccc2)c3ccc(cc3)Cl 34a_100016991996_100015186950 [0,0,1,1,0,0|0,0,0]=2 110 B26R3.53816848 CN1CCCCC1COC(C)(c2ccccc2)c3ccc(cc3)Cl 7a_100016991996_100015185383 [0,0,1,1,0,0|0,0,0]=2 111 B26R3.352872503 CC(OC1CCCCCC1=O)(c2ccccc2)c3ccc(cc3)Cl 7a_100016991996_100000243696 [0,0,1,1,0,0|2,0,0]=4 112 B26R4.35653149 CC(OC1CC2CCC1C2)(c3ccccc3)c4ccc(cc4)Cl 34a_100016991996_100000727232 [1,0,0,1,0,0|1,0,0]=3 113 B24R3.37772765 CC(OCC1CCCC1)(c2ccccc2)c3ccc(cc3)Cl 34a_100016991996_100000740388 [1,0,0,0,1,0|1,0,0]=3 114 B24R3.37772765 CC(OCC1CCCC1)(c2ccccc2)c3ccc(cc3)Cl 7a_100016991996_100000740388 [1,0,0,0,1,0|1,0,0]=3 115 B26R3.371106 CN1CCCCC1CCNC(c2ccccc2)c3ccc(cc3)Br 2230a_100000745999_100000211948 [1,0,0,0,0,1|1,1,0]=4 116 B26R3.371106 CN1CCCCC1CCNC(c2ccccc2)c3ccc(cc3)Br 34a_100000745999_100000211948 [1,0,0,0,0,1|1,1,0]=4 117 B26R3.371106 CN1CCCCC1CCOC(c2ccccc2)c3ccc(cc3)Br 34a_100011217567_100000211948 [1,0,0,0,0,1|0,1,0]=3 118 B26R3.371106 CN1CCCCC1CCOC(c2ccccc2)c3ccc(cc3)Br 7a_100011217567_100000211948 [1,0,0,0,0,1|0,1,0]=3 119 B26R3.371106 CN1CCCCC1CCOC(c2ccccc2)c3ccc(cc3)Cl 34a_100000211768_100000211948 [1,0,0,0,0,1|0,0,0]=2 120 B26R3.371106 CN1CCCCC1CCOC(c2ccccc2)c3ccc(cc3)Cl 7a_100000211768_100000211948 [1,0,0,0,0,1|0,0,0]=2 121 B26R3.371106 CN1CCCCC1CCSC(c2ccc(cc2)Cl)c3ccccn3 62a_100000211948_200010188304 [1,0,0,0,0,1|1,1,0]=4 122 B26R3.371106 CN1CCCCC1CCSC(c2ccc(cc2)Cl)c3ccccn3 62a_200010188304_100000211948 [1,0,0,0,0,1|1,1,0]=4 123 B26R3.497797 CC1CCCN(C1)CCOC(c2ccccc2)c3ccc(cc3)Cl 34a_100000211768_100000766211 [1,0,0,0,0,1|2,0,0]=4 124 B26R3.497797 CC1CCCN(C1)CCOC(c2ccccc2)c3ccc(cc3)Cl 7a_100000211768_100000766211 [1,0,0,0,0,1|2,0,0]=4