0 B22R3.12627361 C#CCCOC1c2ccccc2CCc3c1cccc3 34a_100000025823_100000688953 [0,0,0,0,0,0|2,0,2]=4 1 B22R3.12627361 C#CCCOC1c2ccccc2CCc3c1cccc3 7a_100000025823_100000688953 [0,0,0,0,0,0|2,0,2]=4 2 B22R3.12627361 C#CCCSC1c2ccccc2CCc3c1cccc3 62a_100000688953_100000031795 [0,0,0,0,0,0|2,0,2]=4 3 B22R3.12627361 C/C=C/COC1c2ccccc2CCc3c1cccc3 34a_100000025823_100102629194 [0,0,0,0,0,0|2,0,2]=4 4 B22R3.12627361 C/C=C/COC1c2ccccc2CCc3c1cccc3 7a_100000025823_100102629194 [0,0,0,0,0,0|2,0,2]=4 5 B22R3.12627361 C=CCCNC1c2ccccc2CCc3c1cccc3 2230a_100015191253_100000031795 [0,0,0,0,0,0|2,0,2]=4 6 B22R3.12627361 C=CCCOC1c2ccccc2CCc3c1cccc3 34a_100000025823_100000754431 [0,0,0,0,0,0|2,0,2]=4 7 B22R3.12627361 C=CCCOC1c2ccccc2CCc3c1cccc3 7a_100000025823_100000754431 [0,0,0,0,0,0|2,0,2]=4 8 B22R3.12627361 CC#CCNC1c2ccccc2CCc3c1cccc3 2230a_100000685387_100000031795 [0,0,0,0,0,0|2,0,2]=4 9 B22R3.12627361 CC#CCOC1c2ccccc2CCc3c1cccc3 34a_100000025823_100000748600 [0,0,0,0,0,0|2,0,2]=4 10 B22R3.12627361 CC#CCOC1c2ccccc2CCc3c1cccc3 7a_100000025823_100000748600 [0,0,0,0,0,0|2,0,2]=4 11 B22R3.12627361 CC#CCSC1c2ccccc2CCc3c1cccc3 62a_100000748600_100000031795 [0,0,0,0,0,0|2,0,2]=4 12 B22R3.12627361 CC=CCOC1c2ccccc2CCc3c1cccc3 34a_100000025823_100000070051 [0,0,0,0,0,0|2,0,2]=4 13 B22R3.12627361 CC=CCOC1c2ccccc2CCc3c1cccc3 7a_100000025823_100000070051 [0,0,0,0,0,0|2,0,2]=4 14 B22R3.12627361 CCCCNC1c2ccccc2CCc3c1cccc3 2230a_100000102301_100000031795 [0,0,0,0,0,0|2,0,1]=3 15 B22R3.12627361 CCCCNC1c2ccccc2CCc3c1cccc3 7a_106832991798_100000031795 [0,0,0,0,0,0|2,0,1]=3 16 B22R3.12627361 CCCCOC1c2ccccc2CCc3c1cccc3 34a_100000025823_100000210210 [0,0,0,0,0,0|2,0,1]=3 17 B22R3.12627361 CCCCOC1c2ccccc2CCc3c1cccc3 7a_100000025823_100000210211 [0,0,0,0,0,0|2,0,1]=3 18 B22R3.12627361 CCCCOC1c2ccccc2CCc3c1cccc3 7a_100000210227_100000031795 [0,0,0,0,0,0|2,0,1]=3 19 B22R3.12627361 CCCNN=C1c2ccccc2CCc3c1cccc3 4a_100000740057_100000061076 [0,0,0,0,0,0|3,0,0]=3 20 B22R3.12627361 CCCNN=C1c2ccccc2COc3c1cccc3 4a_100000740057_100009998808 [0,0,0,0,0,0|4,0,0]=4 21 B22R3.12627361 CCCNN=C1c2ccccc2CSc3c1cccc3 4a_100000740057_100000037704 [0,0,0,0,0,0|4,0,0]=4 22 B22R3.12627361 CCOCSC1c2ccccc2CCc3c1cccc3 62a_100000739092_100000031795 [0,0,0,0,0,0|3,0,1]=4 23 B22R3.12627361 COCCNC1c2ccccc2CCc3c1cccc3 2230a_100000209980_100000031795 [0,0,0,0,0,0|2,0,1]=3 24 B22R3.12627361 COCCOC1c2ccccc2CCc3c1cccc3 34a_100000025823_100011201679 [0,0,0,0,0,0|2,0,1]=3 25 B22R3.12627361 COCCOC1c2ccccc2CCc3c1cccc3 7a_100000025823_100000233755 [0,0,0,0,0,0|2,0,1]=3 26 B22R3.12627361 COCCOC1c2ccccc2CSc3c1cccc3 7a_100025745337_100000233755 [0,0,0,0,0,0|3,0,1]=4 27 B22R3.12627361 COCCSC1c2ccccc2CCc3c1cccc3 62a_100000233755_100000031795 [0,0,0,0,0,0|2,0,1]=3 28 B22R3.12627361 CSCCNC1c2ccccc2CCc3c1cccc3 2230a_100020590264_100000031795 [0,0,0,0,0,0|2,0,1]=3 29 B22R3.12627361 CSCCOC1c2ccccc2CCc3c1cccc3 34a_100000025823_100000212216 [0,0,0,0,0,0|2,0,1]=3 30 B22R3.12627361 CSCCOC1c2ccccc2CCc3c1cccc3 7a_100000025823_100000212216 [0,0,0,0,0,0|2,0,1]=3 31 B22R3.12627361 CSCCOC1c2ccccc2CCc3c1cccc3 7a_100000230434_100000031795 [0,0,0,0,0,0|2,0,1]=3 32 B22R3.12627361 CSCCOC1c2ccccc2CSc3c1cccc3 7a_100025745337_100000212216 [0,0,0,0,0,0|3,0,1]=4 33 B22R3.12627361 CSCCSC1c2ccccc2CCc3c1cccc3 62a_100000212216_100000031795 [0,0,0,0,0,0|2,0,1]=3 34 B22R3.12627361 FCCCNC1c2ccccc2CCc3c1cccc3 2230a_100015189416_100000031795 [0,0,0,0,0,0|3,0,1]=4 35 B22R3.12627361 FCCCOC1c2ccccc2CCc3c1cccc3 34a_100000025823_100011934791 [0,0,0,0,0,0|3,0,1]=4 36 B22R3.12627361 FCCCOC1c2ccccc2CCc3c1cccc3 7a_100000025823_100011934791 [0,0,0,0,0,0|3,0,1]=4 37 B22R3.12627361 FCCCSC1c2ccccc2CCc3c1cccc3 62a_100011934791_100000031795 [0,0,0,0,0,0|3,0,1]=4 38 B22R3.12627361 N#CCCOC1c2ccccc2CCc3c1cccc3 7a_100000025823_100000184422 [0,0,0,0,0,0|3,0,1]=4 39 B22R3.12627361 N#CCCSC1c2ccccc2CCc3c1cccc3 62a_100011215226_100000031795 [0,0,0,0,0,0|3,0,1]=4 40 B22R3.12627361 OCCCOC1c2ccccc2CCc3c1cccc3 34a_100000025823_100000230001 [0,0,0,0,0,0|3,0,1]=4 41 B22R3.12627361 OCCCOC1c2ccccc2CCc3c1cccc3 7a_100000025823_100011215043 [0,0,0,0,0,0|3,0,1]=4 42 B22R3.12627361 OCCCSC1c2ccccc2CCc3c1cccc3 62a_100011215043_100000031795 [0,0,0,0,0,0|3,0,1]=4 43 B22R3.12627361 OCCNN=C1c2ccccc2CCc3c1cccc3 4a_100000210001_100000061076 [0,0,0,0,0,0|4,0,0]=4 44 B23R3.19658479 CCCNN=C1c2ccccc2CCc3c1ccc(c3)O 4a_100000740057_200000011085 [0,1,0,0,0,0|3,0,0]=4 45 B23R3.21774393 CCCC(C)NC1c2ccccc2CCc3c1cccc3 2230a_100000741246_100000031795 [0,1,0,0,0,0|2,0,1]=4 46 B23R3.21774393 COCC(C)OC1c2ccccc2CCc3c1cccc3 34a_100000025823_100000765312 [0,1,0,0,0,0|2,0,1]=4 47 B23R3.21774393 COCC(C)OC1c2ccccc2CCc3c1cccc3 7a_100000025823_100000765312 [0,1,0,0,0,0|2,0,1]=4 48 B23R3.21774393 COCC(C)SC1c2ccccc2CCc3c1cccc3 62a_100000765312_100000031795 [0,1,0,0,0,0|2,0,1]=4 49 B23R3.21774393 COC[C@@H](C)NC1c2ccccc2CCc3c1cccc3 2230a_100000764878_100000031795 [0,1,0,0,0,0|2,0,1]=4 50 B23R3.24909647 CCC(C)CNC1c2ccccc2CCc3c1cccc3 2230a_100020588543_100000031795 [0,1,0,0,0,0|2,0,1]=4 51 B23R3.24909647 CCC(C)COC1c2ccccc2CCc3c1cccc3 34a_100000025823_100000748023 [0,1,0,0,0,0|2,0,1]=4 52 B23R3.24909647 CCC(C)COC1c2ccccc2CCc3c1cccc3 7a_100000025823_100000748023 [0,1,0,0,0,0|2,0,1]=4 53 B23R3.24909647 CCC(C)NN=C1c2ccccc2CCc3c1cccc3 4a_100000718999_100000061076 [0,1,0,0,0,0|3,0,0]=4 54 B23R3.24909647 CCC(O)CNC1c2ccccc2CCc3c1cccc3 2230a_100011218483_100000031795 [0,1,0,0,0,0|2,0,1]=4 55 B23R3.24909647 CCC(O)COC1c2ccccc2CCc3c1cccc3 34a_100000025823_100011218378 [0,1,0,0,0,0|2,0,1]=4 56 B23R3.24909647 CCC(O)COC1c2ccccc2CCc3c1cccc3 7a_100000025823_100011218378 [0,1,0,0,0,0|2,0,1]=4 57 B23R3.24909647 CCC(O)CSC1c2ccccc2CCc3c1cccc3 62a_100011218378_100000031795 [0,1,0,0,0,0|2,0,1]=4 58 B23R3.24909647 CC[C@H](C)COC1c2ccccc2CCc3c1cccc3 34a_100000025823_100009816398 [0,1,0,0,0,0|2,0,1]=4 59 B23R3.24909647 CC[C@H](C)COC1c2ccccc2CCc3c1cccc3 7a_100000025823_100009816398 [0,1,0,0,0,0|2,0,1]=4 60 B23R3.24909647 CC[C@H](C)COC1c2ccccc2CCc3c1cccc3 7a_100009816381_100000031795 [0,1,0,0,0,0|2,0,1]=4 61 B23R3.24909647 CNC(=O)CNC1c2ccccc2CCc3c1cccc3 2230a_100000693194_100000031795 [0,1,0,0,0,0|1,0,2]=4 62 B23R3.24909647 CNC(=O)COC1c2ccccc2CCc3c1cccc3 34a_100000025823_100000183359 [0,1,0,0,0,0|1,0,2]=4 63 B23R3.24909647 CNC(=O)COC1c2ccccc2CCc3c1cccc3 7a_100000025823_100000183359 [0,1,0,0,0,0|1,0,2]=4 64 B23R3.24909647 CNC(=O)CSC1c2ccccc2CCc3c1cccc3 62a_100000183359_100000031795 [0,1,0,0,0,0|1,0,2]=4 65 B23R3.24909647 CO[C@H](C)CNC1c2ccccc2CCc3c1cccc3 2230a_100020591295_100000031795 [0,1,0,0,0,0|2,0,1]=4 66 B23R3.25657126 CCCCCNC1c2ccccc2CCc3c1cccc3 2230a_100000209983_100000031795 [0,1,0,0,0,0|1,0,2]=4 67 B23R3.25657126 CCCCNN=C1c2ccccc2CCc3c1cccc3 4a_100025702795_100000061076 [0,1,0,0,0,0|2,0,0]=3 68 B23R3.25657126 CCCCNN=C1c2ccccc2COc3c1cccc3 4a_100025702795_100009998808 [0,1,0,0,0,0|3,0,0]=4 69 B23R3.25657126 CCCCNN=C1c2ccccc2CSc3c1cccc3 4a_100025702795_100000037704 [0,1,0,0,0,0|3,0,0]=4 70 B23R3.25657126 CCOCCNC1c2ccccc2CCc3c1cccc3 2230a_102516460346_100000031795 [0,1,0,0,0,0|2,0,1]=4 71 B23R3.25657126 CCOCCOC1c2ccccc2CCc3c1cccc3 34a_100000025823_100000210147 [0,1,0,0,0,0|2,0,1]=4 72 B23R3.25657126 CCOCCOC1c2ccccc2CCc3c1cccc3 7a_100000025823_100011215890 [0,1,0,0,0,0|2,0,1]=4 73 B23R3.25657126 CCOCCOC1c2ccccc2CCc3c1cccc3 7a_100000210136_100000031795 [0,1,0,0,0,0|2,0,1]=4 74 B23R3.25657126 CCOCCSC1c2ccccc2CCc3c1cccc3 62a_100000210147_100000031795 [0,1,0,0,0,0|2,0,1]=4 75 B23R3.25657126 CCSCCNC1c2ccccc2CCc3c1cccc3 2230a_100000106463_100000031795 [0,1,0,0,0,0|2,0,1]=4 76 B23R3.25657126 CCSCCOC1c2ccccc2CCc3c1cccc3 34a_100000025823_100000757381 [0,1,0,0,0,0|2,0,1]=4 77 B23R3.25657126 CCSCCOC1c2ccccc2CCc3c1cccc3 7a_100000025823_100000757381 [0,1,0,0,0,0|2,0,1]=4 78 B23R3.25657126 CCSCCOC1c2ccccc2CCc3c1cccc3 7a_100000212035_100000031795 [0,1,0,0,0,0|2,0,1]=4 79 B23R3.25657126 COCCCOC1c2ccccc2CCc3c1cccc3 34a_100000025823_100000740836 [0,1,0,0,0,0|1,0,2]=4 80 B23R3.25657126 COCCCOC1c2ccccc2CCc3c1cccc3 7a_100000025823_100000740836 [0,1,0,0,0,0|1,0,2]=4 81 B23R3.25657126 COCCCSC1c2ccccc2CCc3c1cccc3 62a_100000709357_100000031795 [0,1,0,0,0,0|1,0,2]=4 82 B23R3.25657126 CSCCCNC1c2ccccc2CCc3c1cccc3 2230a_100000749238_100000031795 [0,1,0,0,0,0|1,0,2]=4 83 B23R3.25657126 CSCCCOC1c2ccccc2CCc3c1cccc3 7a_100000690336_100000031795 [0,1,0,0,0,0|1,0,2]=4 84 B23R3.25657126 ClCCCCOC1c2ccccc2CCc3c1cccc3 7a_100000210776_100000031795 [0,1,0,0,0,0|2,0,1]=4 85 B23R3.25657126 FCCCCOC1c2ccccc2CCc3c1cccc3 34a_100000025823_100000729493 [0,1,0,0,0,0|2,0,1]=4 86 B23R3.25657126 FCCCCOC1c2ccccc2CCc3c1cccc3 7a_100000025823_100000729493 [0,1,0,0,0,0|2,0,1]=4 87 B23R3.25657126 FCCCCOC1c2ccccc2CCc3c1cccc3 7a_100011995726_100000031795 [0,1,0,0,0,0|2,0,1]=4 88 B23R3.25657126 N#CCCNN=C1c2ccccc2CCc3c1cccc3 4a_100000229987_100000061076 [0,1,0,0,0,0|3,0,0]=4 89 B23R3.25657126 OCCCCNC1c2ccccc2CCc3c1cccc3 2230a_100000750430_100000031795 [0,1,0,0,0,0|2,0,1]=4 90 B23R3.25657126 OCCCCOC1c2ccccc2CCc3c1cccc3 34a_100000025823_100011216708 [0,1,0,0,0,0|2,0,1]=4 91 B23R3.25657126 OCCCCOC1c2ccccc2CCc3c1cccc3 7a_100000025823_100000210776 [0,1,0,0,0,0|2,0,1]=4 92 B23R3.25657126 OCCCCSC1c2ccccc2CCc3c1cccc3 62a_100000210776_100000031795 [0,1,0,0,0,0|2,0,1]=4 93 B23R3.26139327 C=C(C)CCOC1c2ccccc2CCc3c1cccc3 34a_100000025823_100000730704 [0,1,0,0,0,0|2,0,1]=4 94 B23R3.26139327 C=C(C)CCOC1c2ccccc2CCc3c1cccc3 7a_100000025823_100000730704 [0,1,0,0,0,0|2,0,1]=4 95 B23R3.26139327 CC(=O)CCOC1c2ccccc2CCc3c1cccc3 7a_100000025823_100000053229 [0,1,0,0,0,0|2,0,1]=4 96 B23R3.26139327 CC(=O)CCOC1c2ccccc2CCc3c1cccc3 7a_100000759926_100000031795 [0,1,0,0,0,0|2,0,1]=4 97 B23R3.26139327 CC(=O)CCSC1c2ccccc2CCc3c1cccc3 62a_100000053229_100000031795 [0,1,0,0,0,0|2,0,1]=4 98 B23R3.26139327 CC(C)CCOC1c2ccccc2CCc3c1cccc3 34a_100000025823_100000210312 [0,1,0,0,0,0|2,0,1]=4 99 B23R3.26139327 CC(C)CCOC1c2ccccc2CCc3c1cccc3 7a_100000025823_100000210626 [0,1,0,0,0,0|2,0,1]=4 100 B23R3.26139327 CC(C)CCOC1c2ccccc2CCc3c1cccc3 7a_100000210254_100000031795 [0,1,0,0,0,0|2,0,1]=4 101 B23R3.26139327 CC(O)CCNC1c2ccccc2CCc3c1cccc3 2230a_200000755665_100000031795 [0,1,0,0,0,0|2,0,1]=4 102 B23R3.26139327 CC(O)CCOC1c2ccccc2CCc3c1cccc3 34a_100000025823_100012276601 [0,1,0,0,0,0|2,0,1]=4 103 B23R3.26139327 CC(O)CCOC1c2ccccc2CCc3c1cccc3 7a_100000025823_100012276601 [0,1,0,0,0,0|2,0,1]=4 104 B23R3.26139327 CC(O)CCSC1c2ccccc2CCc3c1cccc3 62a_100012276601_100000031795 [0,1,0,0,0,0|2,0,1]=4 105 B23R3.26139327 CC(O)CNN=C1c2ccccc2CCc3c1cccc3 4a_200000730056_100000061076 [0,1,0,0,0,0|3,0,0]=4 106 B23R3.26139327 CN(C)CCC=C1c2ccccc2CCc3c1cccc3 2230a_100000735373_200000210301 [0,1,0,0,0,0|0,0,0]=1 107 B23R3.26139327 CN(C)CCC=C1c2ccccc2CCc3c1cccc3 269982a_100000735373_200000210301 [0,1,0,0,0,0|0,0,0]=1 108 B23R3.26139327 CN(C)CCC=C1c2ccccc2CCc3c1cccc3 34a_100000735373_200000210301 [0,1,0,0,0,0|0,0,0]=1 109 B23R3.26139327 CN(C)CCOC1c2ccccc2CCc3c1cccc3 7a_100000025823_100000755713 [0,1,0,0,0,0|1,0,1]=3 110 B23R3.26139327 CN(C)CCOC1c2ccccc2CSc3c1cccc3 7a_100025745337_100000755713 [0,1,0,0,0,0|2,0,1]=4 111 B23R3.26139327 CN([13CH3])CCC=C1c2ccccc2CCc3c1cccc3 2230a_100000735373_200025704644 [0,1,0,0,0,0|0,0,0]=1 112 B23R3.26139327 CN([13CH3])CCC=C1c2ccccc2CCc3c1cccc3 269982a_100000735373_200025704644 [0,1,0,0,0,0|0,0,0]=1 113 B23R3.26139327 CN([13CH3])CCC=C1c2ccccc2CCc3c1cccc3 34a_100000735373_200025704644 [0,1,0,0,0,0|0,0,0]=1 114 B23R3.32306063 CCCCN(C)C1c2ccccc2CCc3c1cccc3 2230a_100000207549_100000031795 [0,1,0,0,0,0|2,0,1]=4 115 B23R3.32306063 CCCCN(C)C1c2ccccc2CCc3c1cccc3 269982a_100000207549_100000031795 [0,1,0,0,0,0|2,0,1]=4 116 B23R3.32306063 CCNCC(=O)N1c2ccccc2CCc3c1cccc3 2230a_100015525214_200000596418 [0,1,0,0,0,0|3,0,0]=4 117 B23R3.32306063 CCOCC(=O)N1c2ccccc2CCc3c1cccc3 34a_100121572206_200000596418 [0,1,0,0,0,0|3,0,0]=4 118 B23R3.32306063 CCSCC(=O)N1c2ccccc2CCc3c1cccc3 62a_100000210202_200000596418 [0,1,0,0,0,0|3,0,0]=4 119 B23R3.32306063 CNCCC(=O)N1c2ccccc2CCc3c1cccc3 2230a_106832991635_200020598663 [0,1,0,0,0,0|1,0,0]=2 120 B23R3.32306063 CNCCC(=O)N1c2ccccc2CCc3c1cccc3 7a_106832991635_200020598663 [0,1,0,0,0,0|1,0,0]=2 121 B23R3.32306063 COCCN(C)C1c2ccccc2CCc3c1cccc3 2230a_100000743101_100000031795 [0,1,0,0,0,0|2,0,1]=4 122 B23R3.32306063 COCCN(C)C1c2ccccc2CCc3c1cccc3 269982a_100000743101_100000031795 [0,1,0,0,0,0|2,0,1]=4 123 B23R3.32306063 CSCCC(=O)N1c2ccccc2CCc3c1cccc3 62a_200000210301_200020598663 [0,1,0,0,0,0|2,0,0]=3 124 B23R3.32306063 CSCCN(C)C1c2ccccc2CCc3c1cccc3 2230a_100000686725_100000031795 [0,1,0,0,0,0|2,0,1]=4 125 B23R3.32306063 CSCCN(C)C1c2ccccc2CCc3c1cccc3 269982a_100000686725_100000031795 [0,1,0,0,0,0|2,0,1]=4 126 B23R3.32306063 [13CH3]SCCC(=O)N1c2ccccc2CCc3c1cccc3 62a_200025704644_200020598663 [0,1,0,0,0,0|2,0,0]=3 127 B21R2.14087 CCCCC=Cc1cccnc1OCc2ccccc2 271570a_100016275911_200011465151 [0,0,1,0,0,0|3,0,0]=4 128 B21R2.14087 CCCCC=Cc1ncccc1OCc2ccccc2 271570a_100016275911_100011501402 [0,0,1,0,0,0|3,0,0]=4 129 B21R2.14087 CCCCOCc1ccccc1CCc2ccccc2 34a_200000042600_100000210210 [0,0,1,0,0,0|2,0,1]=4 130 B21R2.14087 CCCCOCc1ccccc1CCc2ccccc2 7a_200000042600_100000210211 [0,0,1,0,0,0|2,0,1]=4 131 B21R2.14087 CNCCCOc1ccccc1SCc2ccccc2 62a_100000211182_100015186278 [0,0,1,0,0,0|2,0,1]=4 132 B21R2.14087 CNCCCOc1ccccc1SCc2ccccc2 62a_100015186278_100015291786 [0,0,1,0,0,0|2,0,1]=4 133 B21R2.14087 COCCOCc1ccccc1CCc2ccccc2 34a_200000042600_100011201679 [0,0,1,0,0,0|2,0,1]=4 134 B21R2.14087 COCCOCc1ccccc1CCc2ccccc2 7a_200000042600_100000233755 [0,0,1,0,0,0|2,0,1]=4 135 B21R2.14087 CSCCOCc1ccccc1CCc2ccccc2 34a_200000042600_100000212216 [0,0,1,0,0,0|2,0,1]=4 136 B21R2.14087 CSCCOCc1ccccc1CCc2ccccc2 7a_200000042600_100000212216 [0,0,1,0,0,0|2,0,1]=4 137 B23R4.1541467 c1ccc2c(c1)CCc3ccccc3C2=NNC4CC4 4a_100000701032_100000061076 [0,0,0,1,0,0|3,0,0]=4 138 B23R4.1541467 c1ccc2c(c1)CCc3ccccc3C2NCC4CC4 2230a_100000735609_100000031795 [0,0,0,1,0,0|2,0,1]=4 139 B23R4.1541467 c1ccc2c(c1)CCc3ccccc3C2OCC4CC4 34a_100000025823_100000742324 [0,0,0,1,0,0|2,0,1]=4 140 B23R4.1541467 c1ccc2c(c1)CCc3ccccc3C2OCC4CC4 7a_100000025823_100000742324 [0,0,0,1,0,0|2,0,1]=4 141 B23R4.1541467 c1ccc2c(c1)CCc3ccccc3C2OCC4CO4 34a_100000025823_102125554688 [0,0,0,1,0,0|2,0,1]=4 142 B23R4.1541467 c1ccc2c(c1)CCc3ccccc3C2OCC4CO4 7a_100000025823_102125554688 [0,0,0,1,0,0|2,0,1]=4 143 B23R4.1541467 c1ccc2c(c1)CCc3ccccc3C2OCC4CS4 7a_100000025823_100000031435 [0,0,0,1,0,0|2,0,1]=4 144 B23R4.1541467 c1ccc2c(c1)CCc3ccccc3C2OC[C@@H]4CO4 7a_100000025823_100000745022 [0,0,0,1,0,0|2,0,1]=4 145 B23R4.1541467 c1ccc2c(c1)CCc3ccccc3C2SCC4CO4 62a_102125554688_100000031795 [0,0,0,1,0,0|2,0,1]=4 146 B23R4.1541467 c1ccc2c(c1)CCc3ccccc3C2SCC4CS4 62a_100000031435_100000031795 [0,0,0,1,0,0|2,0,1]=4 147 B23R4.1541467 c1ccc2c(c1)CCc3ccccc3C2SC[C@@H]4CO4 62a_100000745022_100000031795 [0,0,0,1,0,0|2,0,1]=4 148 B23R4.1541468 c1ccc2c(c1)CCc3ccccc3C2NC4CCC4 2230a_100000749019_100000031795 [0,0,0,1,0,0|2,0,1]=4 149 B23R4.1541468 c1ccc2c(c1)CCc3ccccc3C2NC4COC4 2230a_100016991112_100000031795 [0,0,0,1,0,0|2,0,1]=4 150 B23R4.1541468 c1ccc2c(c1)CCc3ccccc3C2OC4CCC4 34a_100000025823_100000749161 [0,0,0,1,0,0|2,0,1]=4 151 B23R4.1541468 c1ccc2c(c1)CCc3ccccc3C2OC4COC4 34a_100000025823_100009818527 [0,0,0,1,0,0|2,0,1]=4 152 B23R4.1541468 c1ccc2c(c1)CCc3ccccc3C2OC4COC4 7a_100000025823_100009818527 [0,0,0,1,0,0|2,0,1]=4 153 B23R4.1541468 c1ccc2c(c1)CCc3ccccc3C2OC4CSC4 7a_100000072292_100000031795 [0,0,0,1,0,0|2,0,1]=4 154 B23R4.4597753 c1ccc2c(c1)CCc3ccccc3C2N4CCCC4 2230a_100000188435_100000031795 [0,0,0,1,0,0|2,0,1]=4 155 B23R4.4597753 c1ccc2c(c1)CCc3ccccc3C2N4CCCC4 269982a_100000188435_100000031795 [0,0,0,1,0,0|2,0,1]=4 156 B23R4.4597753 c1ccc2c(c1)CCc3ccccc3C2N4CCSC4 2230a_100011215254_100000031795 [0,0,0,1,0,0|2,0,1]=4 157 B23R4.4597753 c1ccc2c(c1)CCc3ccccc3C2N4CCSC4 269982a_100011215254_100000031795 [0,0,0,1,0,0|2,0,1]=4 158 B23R4.20943140 CC1CCN1C2c3ccccc3CCc4c2cccc4 269982a_100000755817_100000031795 [0,0,0,1,0,0|2,0,1]=4 159 B22R2.1877 CCCCNC(=O)c1ccccc1CCc2ccccc2 11a_100000102301_100000610640 [0,1,1,0,0,0|2,0,0]=4 160 B22R2.1877 CCCCNC(=O)c1ccccc1CCc2ccccc2 1626a_100000102301_100000610640 [0,1,1,0,0,0|2,0,0]=4 161 B22R2.1877 CCCCNC(=O)c1ccccc1CCc2ccccc2 240690a_100000102301_100000610640 [0,1,1,0,0,0|2,0,0]=4 162 B22R2.1877 CCCCNC(=O)c1ccccc1CCc2ccccc2 527a_100000102301_100000610640 [0,1,1,0,0,0|2,0,0]=4 163 B22R2.1877 COCCCC(=O)c1ccccc1CCc2ccccc2 1458a_100000610640_100000740836 [0,1,1,0,0,0|1,0,1]=4 164 B22R2.1877 COCCNC(=O)c1ccccc1CCc2ccccc2 1626a_100000209980_100000610640 [0,1,1,0,0,0|2,0,0]=4 165 B22R2.1877 COCCNC(=O)c1ccccc1CCc2ccccc2 240690a_100000209980_100000610640 [0,1,1,0,0,0|2,0,0]=4 166 B22R2.1877 COCCNC(=O)c1ccccc1CCc2ccccc2 527a_100000209980_100000610640 [0,1,1,0,0,0|2,0,0]=4 167 B22R2.1877 CSCCNC(=O)c1ccccc1CCc2ccccc2 11a_100020590264_100000610640 [0,1,1,0,0,0|2,0,0]=4 168 B22R2.1877 CSCCNC(=O)c1ccccc1CCc2ccccc2 1626a_100020590264_100000610640 [0,1,1,0,0,0|2,0,0]=4 169 B22R2.1877 CSCCNC(=O)c1ccccc1CCc2ccccc2 240690a_100020590264_100000610640 [0,1,1,0,0,0|2,0,0]=4 170 B22R2.1877 CSCCNC(=O)c1ccccc1CCc2ccccc2 527a_100020590264_100000610640 [0,1,1,0,0,0|2,0,0]=4 171 B22R2.8860 CNCCCOc1ccccc1CC(C)c2ccccc2 271570a_100000062452_100015186278 [0,1,1,0,0,0|1,0,1]=4 172 B22R2.26914 CN(C)CCOCc1ccccc1CCc2ccccc2 7a_200000042600_100000755713 [0,1,1,0,0,0|1,0,1]=4 173 B22R3.914266 CCNN=C1c2ccccc2CCc3c1ccc(c3)O 4a_100000756455_200000011085 [1,1,0,0,0,0|2,0,0]=4 174 B22R3.12307660 CC(C)CNC1c2ccccc2CCc3c1cccc3 2230a_100000210953_100000031795 [1,1,0,0,0,0|1,0,1]=4 175 B22R3.12307660 CC(C)COC1c2ccccc2CCc3c1cccc3 34a_100000025823_100000210624 [1,1,0,0,0,0|1,0,1]=4 176 B22R3.12307660 CC(C)COC1c2ccccc2CCc3c1cccc3 7a_100000025823_100000210760 [1,1,0,0,0,0|1,0,1]=4 177 B22R3.12307660 CC(C)NN=C1c2ccccc2CCc3c1cccc3 4a_100000741168_100000061076 [1,1,0,0,0,0|2,0,0]=4 178 B22R3.12307660 CC(O)CNC1c2ccccc2CCc3c1cccc3 2230a_100000210904_100000031795 [1,1,0,0,0,0|1,0,1]=4 179 B22R3.12307660 CC(O)COC1c2ccccc2CCc3c1cccc3 34a_100000025823_100011218427 [1,1,0,0,0,0|1,0,1]=4 180 B22R3.12307660 CC(O)COC1c2ccccc2CCc3c1cccc3 7a_100000025823_100011218427 [1,1,0,0,0,0|1,0,1]=4 181 B22R3.12307660 CC(O)CSC1c2ccccc2CCc3c1cccc3 62a_100011218427_100000031795 [1,1,0,0,0,0|1,0,1]=4 182 B22R3.12307660 C[C@@H](O)COC1c2ccccc2CCc3c1cccc3 34a_100000025823_100009817552 [1,1,0,0,0,0|1,0,1]=4 183 B22R3.12307660 C[C@@H](O)COC1c2ccccc2CCc3c1cccc3 7a_100000025823_100009817552 [1,1,0,0,0,0|1,0,1]=4 184 B22R3.12307660 C[C@@H](O)CSC1c2ccccc2CCc3c1cccc3 62a_100009817552_100000031795 [1,1,0,0,0,0|1,0,1]=4 185 B22R3.13446522 CCCN(C)C1c2ccccc2CCc3c1cccc3 2230a_100000747261_100000031795 [1,1,0,0,0,0|1,0,1]=4 186 B22R3.13446522 CCCN(C)C1c2ccccc2CCc3c1cccc3 269982a_100000747261_100000031795 [1,1,0,0,0,0|1,0,1]=4 187 B22R3.13446522 CNCC(=O)N1c2ccccc2CCc3c1cccc3 2230a_106832991635_200000596418 [1,1,0,0,0,0|1,0,0]=3 188 B22R3.13446522 CNCC(=O)N1c2ccccc2CCc3c1cccc3 34a_100102657272_200000596418 [1,1,0,0,0,0|1,0,0]=3 189 B22R3.13446522 CNCC(=O)N1c2ccccc2CCc3c1cccc3 7a_106832991635_200000596418 [1,1,0,0,0,0|1,0,0]=3 190 B22R3.13446522 COCC(=O)N1c2ccccc2CCc3c1cccc3 34a_100138415774_200000596418 [1,1,0,0,0,0|2,0,0]=4 191 B22R3.13446522 CSCC(=O)N1c2ccccc2CCc3c1cccc3 62a_200000210301_200000596418 [1,1,0,0,0,0|2,0,0]=4 192 B22R3.13446522 [13CH3]SCC(=O)N1c2ccccc2CCc3c1cccc3 62a_200025704644_200000596418 [1,1,0,0,0,0|2,0,0]=4 193 B22R3.15879546 CCC(C)NC1c2ccccc2CCc3c1cccc3 2230a_100000209981_100000031795 [1,1,0,0,0,0|1,0,1]=4 194 B22R3.15879546 CCC(C)OC1c2ccccc2CCc3c1cccc3 34a_100000025823_100011215416 [1,1,0,0,0,0|1,0,1]=4 195 B22R3.15879546 CCC(C)OC1c2ccccc2CCc3c1cccc3 7a_100000025823_100000758301 [1,1,0,0,0,0|1,0,1]=4 196 B22R3.15879546 CCC(C)OC1c2ccccc2CCc3c1cccc3 7a_100000210228_100000031795 [1,1,0,0,0,0|1,0,1]=4 197 B22R3.2033379 CCCCC(=O)C1c2ccccc2Cc3c1cccc3 1458a_200020600205_100000210211 [0,1,0,0,1,0|1,0,1]=4 198 B22R3.2033379 CNCCC(=O)N1c2ccccc2Sc3c1cccc3 2230a_106832991635_200015341630 [0,1,0,0,1,0|2,0,0]=4 199 B22R3.2033379 CNCCC(=O)N1c2ccccc2Sc3c1cccc3 7a_106832991635_200015341630 [0,1,0,0,1,0|2,0,0]=4 200 B22R3.2033379 COCCC(=O)C1c2ccccc2Cc3c1cccc3 1458a_200020600205_100000233755 [0,1,0,0,1,0|1,0,1]=4 201 B22R3.2033379 COCCC(=O)c1c2ccccc2cc3c1cccc3 1458a_100000610644_100000233755 [0,1,0,0,1,0|1,0,1]=4 202 B22R3.2033379 CSCCC(=O)C1c2ccccc2Cc3c1cccc3 1458a_200020600205_100000751147 [0,1,0,0,1,0|1,0,1]=4 203 B22R3.2033379 CSCCC(=O)c1c2ccccc2cc3c1cccc3 1458a_100000610644_100000751147 [0,1,0,0,1,0|1,0,1]=4 204 B22R3.15927150 CCCCNN=C1c2ccccc2Cc3c1cccc3 4a_100025702795_100000210129 [0,1,0,0,1,0|2,0,0]=4 205 B22R3.16182945 CN(C)CCSc1c2ccccc2nc3c1cccc3 62a_100000044299_100000755713 [0,1,0,0,1,0|2,0,0]=4 206 B24R3.39351553 CCCCNN=C1c2ccccc2CCc3c1ccc(c3)O 4a_100025702795_200000011085 [0,2,0,0,0,0|2,0,0]=4 207 B24R3.115675198 CC(CN(C)C)SC1c2ccccc2CCc3c1cccc3 62a_100020606517_100000031795 [0,2,0,0,0,0|1,0,1]=4 208 B24R3.4169842 CCCOCC(=O)N1c2ccccc2CCc3c1cccc3 34a_100000210258_200000596418 [0,2,0,0,0,0|2,0,0]=4 209 B24R3.4169842 CCCSCC(=O)N1c2ccccc2CCc3c1cccc3 62a_100000210303_200000596418 [0,2,0,0,0,0|2,0,0]=4 210 B24R3.4169842 CCNCCC(=O)N1c2ccccc2CCc3c1cccc3 2230a_100015525214_200020598663 [0,2,0,0,0,0|1,0,0]=3 211 B24R3.4169842 CCSCCC(=O)N1c2ccccc2CCc3c1cccc3 62a_100000210202_200020598663 [0,2,0,0,0,0|2,0,0]=4 212 B24R3.4169842 COCSCC(=O)N1c2ccccc2CCc3c1cccc3 62a_100000766300_200000596418 [0,2,0,0,0,0|2,0,0]=4 213 B24R3.4169842 CSCSCC(=O)N1c2ccccc2CCc3c1cccc3 62a_100011218213_200000596418 [0,2,0,0,0,0|2,0,0]=4 214 B24R3.4169842 O=C(CCSCF)N1c2ccccc2CCc3c1cccc3 62a_100015361967_200020598663 [0,2,0,0,0,0|2,0,0]=4 215 B24R3.28516359 CC(=O)NCCNC1c2ccccc2CCc3c1cccc3 2230a_100000209853_100000031795 [0,2,0,0,0,0|1,0,1]=4 216 B24R3.28516359 CC(=O)NCCOC1c2ccccc2CCc3c1cccc3 7a_100000025823_100000189650 [0,2,0,0,0,0|1,0,1]=4 217 B24R3.28516359 CC(=O)NCCSC1c2ccccc2CCc3c1cccc3 62a_100000189650_100000031795 [0,2,0,0,0,0|1,0,1]=4 218 B24R3.28516359 CN(C)CCCOC1c2ccccc2CCc3c1cccc3 7a_100000025823_100000757444 [0,2,0,0,0,0|0,0,2]=4 219 B24R3.40764905 CCC(O)CNN=C1c2ccccc2CCc3c1cccc3 4a_100015206393_100000061076 [0,2,0,0,0,0|2,0,0]=4 220 B24R3.40764905 CCN(C)CCC=C1c2ccccc2CCc3c1cccc3 2230a_100000735373_100000210202 [0,2,0,0,0,0|0,0,0]=2 221 B24R3.40764905 CCN(C)CCC=C1c2ccccc2CCc3c1cccc3 269982a_100000735373_100000204670 [0,2,0,0,0,0|0,0,0]=2 222 B24R3.40764905 CCN(C)CCC=C1c2ccccc2CCc3c1cccc3 34a_100000735373_100000210202 [0,2,0,0,0,0|0,0,0]=2 223 B24R3.40764905 CN(CF)CCC=C1c2ccccc2CCc3c1cccc3 269982a_100000735373_100015361967 [0,2,0,0,0,0|0,0,0]=2 224 B24R3.40764905 CN(CF)CCC=C1c2ccccc2CCc3c1cccc3 34a_100000735373_100015361967 [0,2,0,0,0,0|0,0,0]=2 225 B24R3.40764905 CNC(=O)CCNC1c2ccccc2CCc3c1cccc3 2230a_100000738227_100000031795 [0,2,0,0,0,0|1,0,1]=4 226 B24R3.40764905 CNC(=O)CCOC1c2ccccc2CCc3c1cccc3 34a_100000025823_100012179268 [0,2,0,0,0,0|1,0,1]=4 227 B24R3.40764905 CNC(=O)CCOC1c2ccccc2CCc3c1cccc3 7a_100000025823_100000737683 [0,2,0,0,0,0|1,0,1]=4 228 B24R3.40764905 CNC(=O)CCSC1c2ccccc2CCc3c1cccc3 62a_100000737683_100000031795 [0,2,0,0,0,0|1,0,1]=4 229 B24R3.49312270 CCCCCNN=C1c2ccccc2CCc3c1cccc3 4a_100000694160_100000061076 [0,2,0,0,0,0|1,0,1]=4 230 B24R3.49312270 CCOCCNN=C1c2ccccc2CCc3c1cccc3 4a_100000732670_100000061076 [0,2,0,0,0,0|2,0,0]=4 231 B24R3.65582311 CC(=O)CCC(=O)N1c2ccccc2CCc3c1cccc3 1458a_100000070787_200020598663 [0,2,0,0,0,0|2,0,0]=4 232 B24R3.65582311 CN(C)CCC(=O)N1c2ccccc2CCc3c1cccc3 2230a_100102631434_200020598663 [0,2,0,0,0,0|1,0,0]=3 233 B24R3.65582311 CN(C)CCC(=O)N1c2ccccc2CCc3c1cccc3 269982a_100102631434_200020598663 [0,2,0,0,0,0|1,0,0]=3 234 B24R3.65582311 CN(C)CCN(C)C1c2ccccc2CCc3c1cccc3 269982a_100000225618_100000031795 [0,2,0,0,0,0|1,0,1]=4 235 B24R4.7210013 c1ccc2c(c1)CCc3ccccc3C2=NNC4CCC4 4a_100000736358_100000061076 [0,1,0,1,0,0|2,0,0]=4 236 B24R4.7210013 c1ccc2c(c1)CCc3ccccc3C2=NNC4COC4 4a_100015188821_100000061076 [0,1,0,1,0,0|2,0,0]=4 237 B24R4.7210012 c1ccc2c(c1)CCc3ccccc3C2=NNCC4CC4 4a_100000736359_100000061076 [0,1,0,1,0,0|2,0,0]=4 238 B22R2.8833 CNCCCOc1ccccc1SCCc2ccccc2 62a_100000765856_100015186278 [0,0,1,0,0,1|1,0,1]=4 239 B22R2.8833 CNCCCOc1ccccc1SCCc2ccccc2 62a_100015186278_100011218657 [0,0,1,0,0,1|1,0,1]=4