0 B13R2.3 C1=C(CCCC1)c2ccccc2 271570a_100000062251_100000210277 [1,0,0,0,0,0|0,0,2]=3 1 B13R2.3 C1=C(CCCC1)c2ccccn2 271570a_100000062251_100011216584 [1,0,0,0,0,0|1,0,2]=4 2 B13R2.3 C1=C(CCCC1)c2cccnc2 271570a_100000062251_100000752921 [1,0,0,0,0,0|1,0,2]=4 3 B13R2.3 C1=C(CCCC1)c2ccncc2 271570a_100000062251_100000035832 [1,0,0,0,0,0|1,0,2]=4 4 B13R2.3 C1=C(CCCO1)c2ccccc2 271570a_100010175576_100000210277 [1,0,0,0,0,0|1,0,2]=4 5 B13R2.3 C1=C(CCNC1)c2ccccc2 271570a_100000731432_100000210277 [1,0,0,0,0,0|1,0,2]=4 6 B13R2.3 C1=C(CCOC1)c2ccccc2 271570a_100000070234_100000210277 [1,0,0,0,0,0|1,0,2]=4 7 B13R2.3 C1=C(CCSC1)c2ccccc2 271570a_100010232141_100000210277 [1,0,0,0,0,0|1,0,2]=4 8 B13R2.3 C1=C(OCCC1)c2ccccc2 271570a_100010177797_100000210277 [1,0,0,0,0,0|1,0,2]=4 9 B15R2.96 CN1CCC(CC1)(O)c2ccccc2 2230a_100000703343_200000210301 [0,1,0,0,0,0|2,0,0]=3 10 B15R2.96 CN1CCC(CC1)(O)c2ccccc2 269982a_100000703343_200000210301 [0,1,0,0,0,0|2,0,0]=3 11 B15R2.96 CN1CCC(CC1)(O)c2ccccn2 2230a_100015187447_200000210301 [0,1,0,0,0,0|3,0,0]=4 12 B15R2.96 CN1CCC(CC1)(O)c2ccccn2 269982a_100015187447_200000210301 [0,1,0,0,0,0|3,0,0]=4 13 B15R2.96 CN1CCC(CC1)(O)c2cccnc2 2230a_100011219441_200000210301 [0,1,0,0,0,0|3,0,0]=4 14 B15R2.96 CN1CCC(CC1)(O)c2cccnc2 269982a_100011219441_200000210301 [0,1,0,0,0,0|3,0,0]=4 15 B15R2.96 [13CH3]N1CCC(CC1)(O)c2ccccc2 2230a_100000703343_200025704644 [0,1,0,0,0,0|2,0,0]=3 16 B15R2.96 [13CH3]N1CCC(CC1)(O)c2ccccc2 269982a_100000703343_200025704644 [0,1,0,0,0,0|2,0,0]=3 17 B15R2.96 [13CH3]N1CCC(CC1)(O)c2ccccn2 2230a_100015187447_200025704644 [0,1,0,0,0,0|3,0,0]=4 18 B15R2.96 [13CH3]N1CCC(CC1)(O)c2ccccn2 269982a_100015187447_200025704644 [0,1,0,0,0,0|3,0,0]=4 19 B15R2.96 [13CH3]N1CCC(CC1)(O)c2cccnc2 2230a_100011219441_200025704644 [0,1,0,0,0,0|3,0,0]=4 20 B15R2.96 [13CH3]N1CCC(CC1)(O)c2cccnc2 269982a_100011219441_200025704644 [0,1,0,0,0,0|3,0,0]=4 21 B15R2.1113 CN1CCCC(C1)(O)c2ccccc2 2230a_100025771231_200000210301 [0,1,0,0,0,0|2,0,0]=3 22 B15R2.1113 CN1CCCC(C1)(O)c2ccccc2 269982a_100025771231_200000210301 [0,1,0,0,0,0|2,0,0]=3 23 B15R2.1113 [13CH3]N1CCCC(C1)(O)c2ccccc2 2230a_100025771231_200025704644 [0,1,0,0,0,0|2,0,0]=3 24 B15R2.1113 [13CH3]N1CCCC(C1)(O)c2ccccc2 269982a_100025771231_200025704644 [0,1,0,0,0,0|2,0,0]=3 25 B15R2.4980 CNC1(CCOCC1)c2ccccc2 2230a_100000754981_200000210301 [0,1,0,0,0,0|1,0,0]=2 26 B15R2.4980 CNC1(CCOCC1)c2ccccc2 34a_100000754981_200000210301 [0,1,0,0,0,0|1,0,0]=2 27 B15R2.4980 COC1(CCCCC1)c2ccccc2 34a_100011219906_200000210301 [0,1,0,0,0,0|1,0,0]=2 28 B15R2.4980 COC1(CCCCC1)c2ccccc2 7a_100011219906_200000210301 [0,1,0,0,0,0|1,0,0]=2 29 B15R2.4980 COC1(CCOCC1)c2ccccc2 34a_100000754853_200000210301 [0,1,0,0,0,0|2,0,0]=3 30 B15R2.4980 COC1(CCOCC1)c2ccccc2 7a_100000754853_200000210301 [0,1,0,0,0,0|2,0,0]=3 31 B15R2.4980 [13CH3]NC1(CCOCC1)c2ccccc2 2230a_100000754981_200025704644 [0,1,0,0,0,0|1,0,0]=2 32 B15R2.4980 [13CH3]NC1(CCOCC1)c2ccccc2 34a_100000754981_200025704644 [0,1,0,0,0,0|1,0,0]=2 33 B15R2.4980 [13CH3]OC1(CCCCC1)c2ccccc2 34a_100011219906_200025704644 [0,1,0,0,0,0|1,0,0]=2 34 B15R2.4980 [13CH3]OC1(CCCCC1)c2ccccc2 7a_100011219906_200025704644 [0,1,0,0,0,0|1,0,0]=2 35 B15R2.4980 [13CH3]OC1(CCOCC1)c2ccccc2 34a_100000754853_200025704644 [0,1,0,0,0,0|2,0,0]=3 36 B15R2.4980 [13CH3]OC1(CCOCC1)c2ccccc2 7a_100000754853_200025704644 [0,1,0,0,0,0|2,0,0]=3 37 B15R2.18914 Oc1ccc(cc1)C2(CCCCC2)O 271570a_203496583355_200010132841 [0,1,0,0,0,0|1,0,0]=2 38 B15R2.18914 Oc1ccc(cc1)C2(CCNCC2)O 271570a_203496583355_100121572065 [0,1,0,0,0,0|2,0,0]=3 39 B15R2.18914 Oc1ccc(cc1)C2(CCOCC2)O 271570a_203496583355_100010245627 [0,1,0,0,0,0|2,0,0]=3 40 B13R1.24 C#CCOC[C@@H](N)c1ccccc1 34a_100000751927_100000184674 [0,0,1,0,0,0|1,0,2]=4 41 B13R1.24 C=CCOC[C@@H](N)c1ccccc1 34a_100000751927_100015514636 [0,0,1,0,0,0|1,0,2]=4 42 B13R1.24 CC(CNCCF)c1ccccc1 2230a_100000701038_100011217306 [0,0,1,0,0,0|3,0,0]=4 43 B13R1.24 CC(CNCCF)c1ccccc1 34a_100000701038_100011217306 [0,0,1,0,0,0|3,0,0]=4 44 B13R1.24 CC(CNCCF)c1ccccc1 34a_100000724931_100000756946 [0,0,1,0,0,0|3,0,0]=4 45 B13R1.24 CC(CNCCO)c1ccccc1 2230a_100000701038_100000211926 [0,0,1,0,0,0|3,0,0]=4 46 B13R1.24 CC(CNCCO)c1ccccc1 2230a_100016997473_100000756946 [0,0,1,0,0,0|3,0,0]=4 47 B13R1.24 CC(CNCCO)c1ccccc1 270004a_100000210304_100000212034 [0,0,1,0,0,0|3,0,0]=4 48 B13R1.24 CC(CNCCO)c1ccccc1 34a_100000701038_100000211926 [0,0,1,0,0,0|3,0,0]=4 49 B13R1.24 CC(CNCCO)c1ccccc1 34a_100016990907_100000756946 [0,0,1,0,0,0|3,0,0]=4 50 B13R1.24 CC(COCCBr)c1ccccc1 34a_100000211926_100000756946 [0,0,1,0,0,0|3,0,0]=4 51 B13R1.24 CC(COCCF)c1ccccc1 34a_100011215166_100011217306 [0,0,1,0,0,0|3,0,0]=4 52 B13R1.24 CC(COCCF)c1ccccc1 7a_100011215166_100011217306 [0,0,1,0,0,0|3,0,0]=4 53 B13R1.24 CC(COCCN)c1ccccc1 34a_100000210304_100000756946 [0,0,1,0,0,0|3,0,0]=4 54 B13R1.24 CC(COCCO)c1ccccc1 34a_100011215166_100000211926 [0,0,1,0,0,0|3,0,0]=4 55 B13R1.24 CC(COCCO)c1ccccc1 7a_100011215166_100000211926 [0,0,1,0,0,0|3,0,0]=4 56 B13R1.24 CC(CSCCF)c1ccccc1 62a_100000756946_100011217306 [0,0,1,0,0,0|3,0,0]=4 57 B13R1.24 CC(CSCCF)c1ccccc1 62a_100011217306_100000756946 [0,0,1,0,0,0|3,0,0]=4 58 B13R1.24 CC(CSCCO)c1ccccc1 62a_100000211926_100000756946 [0,0,1,0,0,0|3,0,0]=4 59 B13R1.24 CC(CSCCO)c1ccccc1 62a_100000756946_100000211926 [0,0,1,0,0,0|3,0,0]=4 60 B13R1.24 CC(NCCCF)c1ccccc1 2230a_100015189416_100000230085 [0,0,1,0,0,0|3,0,0]=4 61 B13R1.24 CC(NCCCF)c1ccccc1 269862a_100015189416_100000185851 [0,0,1,0,0,0|3,0,0]=4 62 B13R1.24 CC(NCCCF)c1ccccc1 34a_100015189416_100000211855 [0,0,1,0,0,0|3,0,0]=4 63 B13R1.24 CC(NCCCO)c1ccccc1 269862a_100000182051_100000185851 [0,0,1,0,0,0|3,0,0]=4 64 B13R1.24 CC(OCCCBr)c1ccccc1 34a_100011217188_100000211855 [0,0,1,0,0,0|3,0,0]=4 65 B13R1.24 CC(OCCCCl)c1ccccc1 34a_100000230001_100000211855 [0,0,1,0,0,0|3,0,0]=4 66 B13R1.24 CC(OCCCF)c1ccccc1 34a_100000759539_100000211855 [0,0,1,0,0,0|3,0,0]=4 67 B13R1.24 CC(OCCCN)c1ccccc1 34a_100000182051_100000211855 [0,0,1,0,0,0|3,0,0]=4 68 B13R1.24 CC(SCCCF)c1ccccc1 62a_100000230085_100011934791 [0,0,1,0,0,0|3,0,0]=4 69 B13R1.24 CC(SCCCF)c1ccccc1 62a_100011934791_100000230085 [0,0,1,0,0,0|3,0,0]=4 70 B13R1.24 CC(SCCCO)c1ccccc1 62a_100000230085_100011215043 [0,0,1,0,0,0|3,0,0]=4 71 B13R1.24 CC(SCCCO)c1ccccc1 62a_100011215043_100000230085 [0,0,1,0,0,0|3,0,0]=4 72 B13R1.24 CCCCCC(=O)c1ccccc1 1458a_100000185807_100000210326 [0,0,1,0,0,0|1,0,1]=3 73 B13R1.24 CCCCCN(C)c1ccccc1 2230a_100000210012_100000210326 [0,0,1,0,0,0|2,0,0]=3 74 B13R1.24 CCCCCN(C)c1ccccc1 2230a_200000219563_200000210301 [0,0,1,0,0,0|2,0,0]=3 75 B13R1.24 CCCCCN(C)c1ccccc1 269982a_100000210012_100000210215 [0,0,1,0,0,0|2,0,0]=3 76 B13R1.24 CCCCCN(C)c1ccccc1 269982a_200000219563_200000210301 [0,0,1,0,0,0|2,0,0]=3 77 B13R1.24 CCCCCN(C)c1ccccc1 34a_100000210012_100000718602 [0,0,1,0,0,0|2,0,0]=3 78 B13R1.24 CCCCCN(C)c1ccccc1 34a_200000219563_200000210301 [0,0,1,0,0,0|2,0,0]=3 79 B13R1.24 CCCCCN(C)c1ccccc1 7a_200000219563_200000210301 [0,0,1,0,0,0|2,0,0]=3 80 B13R1.24 CCCCCN([13CH3])c1ccccc1 2230a_200000219563_200025704644 [0,0,1,0,0,0|2,0,0]=3 81 B13R1.24 CCCCCN([13CH3])c1ccccc1 269982a_200000219563_200025704644 [0,0,1,0,0,0|2,0,0]=3 82 B13R1.24 CCCCCN([13CH3])c1ccccc1 34a_200000219563_200025704644 [0,0,1,0,0,0|2,0,0]=3 83 B13R1.24 CCCCCN([13CH3])c1ccccc1 7a_200000219563_200025704644 [0,0,1,0,0,0|2,0,0]=3 84 B13R1.24 CCCCNC(=O)c1ccccc1 11a_100000102301_100000185807 [0,0,1,0,0,0|2,0,1]=4 85 B13R1.24 CCCCNC(=O)c1ccccc1 1626a_100000102301_100000185807 [0,0,1,0,0,0|2,0,1]=4 86 B13R1.24 CCCCNC(=O)c1ccccc1 240690a_100000102301_100000185807 [0,0,1,0,0,0|2,0,1]=4 87 B13R1.24 CCCCNC(=O)c1ccccc1 527a_100000102301_100000185807 [0,0,1,0,0,0|2,0,1]=4 88 B13R1.24 CCCCNC(C)c1ccccc1 2230a_100000102301_100000230085 [0,0,1,0,0,0|2,0,0]=3 89 B13R1.24 CCCCNC(C)c1ccccc1 269862a_100000102301_100000185851 [0,0,1,0,0,0|2,0,0]=3 90 B13R1.24 CCCCNC(C)c1ccccc1 7a_106832991798_100000230085 [0,0,1,0,0,0|2,0,0]=3 91 B13R1.24 CCCCNC(C)c1ccccn1 2230a_100000181244_100000210211 [0,0,1,0,0,0|3,0,0]=4 92 B13R1.24 CCCCNC(C)c1ccccn1 269862a_100000102301_100000210467 [0,0,1,0,0,0|3,0,0]=4 93 B13R1.24 CCCCNC(C)c1cccnc1 2230a_100000195435_100000210211 [0,0,1,0,0,0|3,0,0]=4 94 B13R1.24 CCCCNC(C)c1cccnc1 269862a_100000102301_100000210468 [0,0,1,0,0,0|3,0,0]=4 95 B13R1.24 CCCCNC(C)c1ccncc1 2230a_100000181269_100000210211 [0,0,1,0,0,0|3,0,0]=4 96 B13R1.24 CCCCNC(C)c1ccncc1 269862a_100000102301_100000185792 [0,0,1,0,0,0|3,0,0]=4 97 B13R1.24 CCCCN[C@H](C)c1ccccc1 2230a_100000751104_100000210211 [0,0,1,0,0,0|2,0,0]=3 98 B13R1.24 CCCCOC(C)c1ccccc1 34a_100000210227_100000211855 [0,0,1,0,0,0|2,0,0]=3 99 B13R1.24 CCCCOC(C)c1ccccc1 7a_100000210227_100000230085 [0,0,1,0,0,0|2,0,0]=3 100 B13R1.24 CCCCO[C@H](C)c1ccccc1 34a_100000761318_100000210210 [0,0,1,0,0,0|2,0,0]=3 101 B13R1.24 CCCCO[C@H](C)c1ccccc1 7a_100000761318_100000210211 [0,0,1,0,0,0|2,0,0]=3 102 B13R1.24 CCCCSC(C)c1ccccc1 62a_100000210211_100000230085 [0,0,1,0,0,0|2,0,0]=3 103 B13R1.24 CCCCSC(C)c1ccccc1 62a_100000230085_100000210210 [0,0,1,0,0,0|2,0,0]=3 104 B13R1.24 CCCNCC(C)c1ccccc1 2230a_100000701038_100000210303 [0,0,1,0,0,0|2,0,0]=3 105 B13R1.24 CCCNCC(C)c1ccccc1 270004a_100020643023_100000212034 [0,0,1,0,0,0|2,0,0]=3 106 B13R1.24 CCCNCC(C)c1ccccc1 34a_100000701038_100000210303 [0,0,1,0,0,0|2,0,0]=3 107 B13R1.24 CCCNCC(O)c1ccccc1 2230a_100000210709_100000210303 [0,0,1,0,0,0|2,0,0]=3 108 B13R1.24 CCCNCC(O)c1ccccn1 2230a_100000691469_100000210303 [0,0,1,0,0,0|3,0,0]=4 109 B13R1.24 CCCNCC(O)c1cccnc1 2230a_100020605170_100000210303 [0,0,1,0,0,0|3,0,0]=4 110 B13R1.24 CCCOCC(C)c1ccccc1 34a_100000210258_100000756946 [0,0,1,0,0,0|2,0,0]=3 111 B13R1.24 CCCOCC(C)c1ccccc1 34a_100011215166_100000210303 [0,0,1,0,0,0|2,0,0]=3 112 B13R1.24 CCCOCC(C)c1ccccc1 7a_100011215166_100000210303 [0,0,1,0,0,0|2,0,0]=3 113 B13R1.24 CCCOCC(O)c1ccccc1 34a_100000210258_100000185958 [0,0,1,0,0,0|2,0,0]=3 114 B13R1.24 CCCOC[C@@H](N)c1ccccc1 34a_100000751927_100000210303 [0,0,1,0,0,0|1,0,0]=2 115 B13R1.24 CCCOC[C@@H](N)c1ccncc1 34a_100138412524_100000210303 [0,0,1,0,0,0|2,0,0]=3 116 B13R1.24 CCCOC[C@@H](O)c1ccccc1 34a_100000210258_100011933945 [0,0,1,0,0,0|2,0,0]=3 117 B13R1.24 CCCSCC(=O)c1ccccc1 62a_100000210303_100000211460 [0,0,1,0,0,0|2,0,1]=4 118 B13R1.24 CCCSCC(=O)c1ccccc1 62a_100000211460_100000210303 [0,0,1,0,0,0|2,0,1]=4 119 B13R1.24 CCCSCC(C)c1ccccc1 62a_100000210303_100000756946 [0,0,1,0,0,0|2,0,0]=3 120 B13R1.24 CCCSCC(C)c1ccccc1 62a_100000756946_100000210303 [0,0,1,0,0,0|2,0,0]=3 121 B13R1.24 CCCSCC(O)c1ccccc1 62a_100000185958_100000210303 [0,0,1,0,0,0|2,0,0]=3 122 B13R1.24 CCCSCC(O)c1ccccc1 62a_100000210303_100000185958 [0,0,1,0,0,0|2,0,0]=3 123 B13R1.24 CCCSCS(=O)c1ccccc1 62a_100000210303_100000031784 [0,0,1,0,0,0|3,0,0]=4 124 B13R1.24 CCCSC[C@@H](O)c1ccccc1 62a_100000210303_100011933945 [0,0,1,0,0,0|2,0,0]=3 125 B13R1.24 CCCSC[C@@H](O)c1ccccc1 62a_100011933945_100000210303 [0,0,1,0,0,0|2,0,0]=3 126 B13R1.24 CCNCCC(=O)c1ccccc1 2230a_100015525214_100000750707 [0,0,1,0,0,0|2,0,1]=4 127 B13R1.24 CCNCCC(C)c1ccccc1 270004a_100015525214_100000189432 [0,0,1,0,0,0|2,0,0]=3 128 B13R1.24 CCNCCC(O)c1ccccc1 2230a_100000763605_100000210202 [0,0,1,0,0,0|2,0,0]=3 129 B13R1.24 CCNCCS(=O)c1ccccc1 2230a_100015525214_100000740319 [0,0,1,0,0,0|3,0,0]=4 130 B13R1.24 CCNCC[C@@H](O)c1ccccc1 2230a_100015525214_100000729684 [0,0,1,0,0,0|2,0,0]=3 131 B13R1.24 CCOCCC(=O)c1ccccc1 1458a_100000185807_100011215890 [0,0,1,0,0,0|2,0,1]=4 132 B13R1.24 CCOCCN(C)c1ccccc1 2230a_100000210012_100011215890 [0,0,1,0,0,0|3,0,0]=4 133 B13R1.24 CCOCCN(C)c1ccccc1 269982a_100000210012_100011215890 [0,0,1,0,0,0|3,0,0]=4 134 B13R1.24 CCOCCN(C)c1ccccc1 34a_100000210012_100000210147 [0,0,1,0,0,0|3,0,0]=4 135 B13R1.24 CCOCC[C@@H](O)c1ccccc1 34a_100121572206_100000729684 [0,0,1,0,0,0|2,0,0]=3 136 B13R1.24 CCOCC[C@H](N)c1ccccc1 34a_100025705951_100000210202 [0,0,1,0,0,0|1,0,0]=2 137 B13R1.24 CCOCSC(C)c1ccccc1 62a_100000230085_100000739092 [0,0,1,0,0,0|3,0,0]=4 138 B13R1.24 CCOCSC(C)c1ccccc1 62a_100000739092_100000230085 [0,0,1,0,0,0|3,0,0]=4 139 B13R1.24 CCSCCC(=O)c1ccccc1 1458a_100000185807_100000757381 [0,0,1,0,0,0|2,0,1]=4 140 B13R1.24 CCSCCC(=O)c1ccccc1 62a_100000210202_100000750707 [0,0,1,0,0,0|2,0,1]=4 141 B13R1.24 CCSCCC(=O)c1ccccc1 62a_100000750707_100000210202 [0,0,1,0,0,0|2,0,1]=4 142 B13R1.24 CCSCCN(C)c1ccccc1 2230a_100000210012_100000757381 [0,0,1,0,0,0|3,0,0]=4 143 B13R1.24 CCSCCN(C)c1ccccc1 269982a_100000210012_100000757381 [0,0,1,0,0,0|3,0,0]=4 144 B13R1.24 CCSCCN(C)c1ccccc1 34a_100000210012_100000757381 [0,0,1,0,0,0|3,0,0]=4 145 B13R1.24 CCSCCS(=O)c1ccccc1 62a_100000210202_100000740319 [0,0,1,0,0,0|3,0,0]=4 146 B13R1.24 CCSCC[C@@H](O)c1ccccc1 62a_100000210202_100000729684 [0,0,1,0,0,0|2,0,0]=3 147 B13R1.24 CCSCC[C@@H](O)c1ccccc1 62a_100000729684_100000210202 [0,0,1,0,0,0|2,0,0]=3 148 B13R1.24 CN(CCCCF)c1ccccc1 2230a_100000210012_100000729493 [0,0,1,0,0,0|3,0,0]=4 149 B13R1.24 CN(CCCCF)c1ccccc1 269982a_100000210012_100000729493 [0,0,1,0,0,0|3,0,0]=4 150 B13R1.24 CN(CCCCF)c1ccccc1 34a_100000210012_100000729493 [0,0,1,0,0,0|3,0,0]=4 151 B13R1.24 CN(CCCCO)c1ccccc1 2230a_100000210012_100000210776 [0,0,1,0,0,0|3,0,0]=4 152 B13R1.24 CN(CCCCO)c1ccccc1 269982a_100000210012_100000210776 [0,0,1,0,0,0|3,0,0]=4 153 B13R1.24 CN(CCCCO)c1ccccc1 34a_100000210012_100011216708 [0,0,1,0,0,0|3,0,0]=4 154 B13R1.24 CNCCCC(=O)c1ccccc1 2230a_106832991635_100000211006 [0,0,1,0,0,0|2,0,1]=4 155 B13R1.24 CNCCCC(=O)c1ccccc1 7a_106832991635_100000211006 [0,0,1,0,0,0|2,0,1]=4 156 B13R1.24 COCCCC(=O)c1ccccc1 1458a_100000185807_100000740836 [0,0,1,0,0,0|2,0,1]=4 157 B13R1.24 COCCCC(N)c1ccccc1 34a_100000759318_200000210301 [0,0,1,0,0,0|1,0,0]=2 158 B13R1.24 COCCCN(C)c1ccccc1 2230a_100000210012_100000740836 [0,0,1,0,0,0|3,0,0]=4 159 B13R1.24 COCCCN(C)c1ccccc1 269982a_100000210012_100000740836 [0,0,1,0,0,0|3,0,0]=4 160 B13R1.24 COCCCN(C)c1ccccc1 34a_100000210012_100000740836 [0,0,1,0,0,0|3,0,0]=4 161 B13R1.24 COCCNC(C)c1ccccc1 2230a_100000209980_100000230085 [0,0,1,0,0,0|3,0,0]=4 162 B13R1.24 COCCNC(C)c1ccccc1 269862a_100000209980_100000185851 [0,0,1,0,0,0|3,0,0]=4 163 B13R1.24 COCCN[C@H](C)c1ccccc1 2230a_100000751104_100011201679 [0,0,1,0,0,0|3,0,0]=4 164 B13R1.24 COCCOC(C)c1ccccc1 34a_100000210237_100000211855 [0,0,1,0,0,0|3,0,0]=4 165 B13R1.24 COCCO[C@H](C)c1ccccc1 34a_100000761318_100011201679 [0,0,1,0,0,0|3,0,0]=4 166 B13R1.24 COCCO[C@H](C)c1ccccc1 7a_100000761318_100000233755 [0,0,1,0,0,0|3,0,0]=4 167 B13R1.24 COCCSC(C)c1ccccc1 62a_100000230085_100000233755 [0,0,1,0,0,0|3,0,0]=4 168 B13R1.24 COCCSC(C)c1ccccc1 62a_100000233755_100000230085 [0,0,1,0,0,0|3,0,0]=4 169 B13R1.24 COCNCC(C)c1ccccc1 2230a_100000701038_100000766300 [0,0,1,0,0,0|3,0,0]=4 170 B13R1.24 COCNCC(O)c1ccccc1 2230a_100000210709_100000766300 [0,0,1,0,0,0|3,0,0]=4 171 B13R1.24 COCSCC(C)c1ccccc1 62a_100000756946_100000766300 [0,0,1,0,0,0|3,0,0]=4 172 B13R1.24 COCSCC(C)c1ccccc1 62a_100000766300_100000756946 [0,0,1,0,0,0|3,0,0]=4 173 B13R1.24 COCSCC(O)c1ccccc1 62a_100000185958_100000766300 [0,0,1,0,0,0|3,0,0]=4 174 B13R1.24 COCSCC(O)c1ccccc1 62a_100000766300_100000185958 [0,0,1,0,0,0|3,0,0]=4 175 B13R1.24 COCSC[C@@H](O)c1ccccc1 62a_100000766300_100011933945 [0,0,1,0,0,0|3,0,0]=4 176 B13R1.24 COCSC[C@@H](O)c1ccccc1 62a_100011933945_100000766300 [0,0,1,0,0,0|3,0,0]=4 177 B13R1.24 CSCCCC(=O)c1ccccc1 62a_100000211006_200000210301 [0,0,1,0,0,0|2,0,1]=4 178 B13R1.24 CSCCCC(=O)c1ccccc1 62a_200000210301_100000211006 [0,0,1,0,0,0|2,0,1]=4 179 B13R1.24 CSCCNC(C)c1ccccc1 2230a_100020590264_100000230085 [0,0,1,0,0,0|3,0,0]=4 180 B13R1.24 CSCCNC(C)c1ccccc1 269862a_100020590264_100000185851 [0,0,1,0,0,0|3,0,0]=4 181 B13R1.24 CSCCN[C@H](C)c1ccccc1 2230a_100000751104_100000751147 [0,0,1,0,0,0|3,0,0]=4 182 B13R1.24 CSCCOC(C)c1ccccc1 34a_100000230434_100000211855 [0,0,1,0,0,0|3,0,0]=4 183 B13R1.24 CSCCOC(C)c1ccccc1 7a_100000230434_100000230085 [0,0,1,0,0,0|3,0,0]=4 184 B13R1.24 CSCCO[C@H](C)c1ccccc1 34a_100000761318_100000212216 [0,0,1,0,0,0|3,0,0]=4 185 B13R1.24 CSCCO[C@H](C)c1ccccc1 7a_100000761318_100000212216 [0,0,1,0,0,0|3,0,0]=4 186 B13R1.24 CSCCSC(C)c1ccccc1 62a_100000212216_100000230085 [0,0,1,0,0,0|3,0,0]=4 187 B13R1.24 CSCCSC(C)c1ccccc1 62a_100000230085_100000751147 [0,0,1,0,0,0|3,0,0]=4 188 B13R1.24 CSCNCC(C)c1ccccc1 2230a_100000701038_100011218213 [0,0,1,0,0,0|3,0,0]=4 189 B13R1.24 CSCNCC(C)c1ccccc1 34a_100000701038_100011218213 [0,0,1,0,0,0|3,0,0]=4 190 B13R1.24 CSCNCC(O)c1ccccc1 2230a_100000210709_100011218213 [0,0,1,0,0,0|3,0,0]=4 191 B13R1.24 CSCOCC(C)c1ccccc1 34a_100011215166_100011218213 [0,0,1,0,0,0|3,0,0]=4 192 B13R1.24 CSCOC[C@@H](N)c1ccccc1 34a_100000751927_100011218213 [0,0,1,0,0,0|2,0,0]=3 193 B13R1.24 CSCOC[C@@H](N)c1ccncc1 34a_100138412524_100011218213 [0,0,1,0,0,0|3,0,0]=4 194 B13R1.24 CSCSCC(C)c1ccccc1 62a_100000756946_100011218213 [0,0,1,0,0,0|3,0,0]=4 195 B13R1.24 CSCSCC(C)c1ccccc1 62a_100011218213_100000756946 [0,0,1,0,0,0|3,0,0]=4 196 B13R1.24 CSCSCC(O)c1ccccc1 62a_100000185958_100011218213 [0,0,1,0,0,0|3,0,0]=4 197 B13R1.24 CSCSCC(O)c1ccccc1 62a_100011218213_100000185958 [0,0,1,0,0,0|3,0,0]=4 198 B13R1.24 CSCSC[C@@H](O)c1ccccc1 62a_100011218213_100011933945 [0,0,1,0,0,0|3,0,0]=4 199 B13R1.24 CSCSC[C@@H](O)c1ccccc1 62a_100011933945_100011218213 [0,0,1,0,0,0|3,0,0]=4 200 B13R1.24 C[C@@H](NCCCF)c1ccccc1 2230a_100000751104_100011934791 [0,0,1,0,0,0|3,0,0]=4 201 B13R1.24 C[C@@H](NCCCO)c1ccccc1 2230a_100000751104_100000230001 [0,0,1,0,0,0|3,0,0]=4 202 B13R1.24 C[C@@H](OCCCF)c1ccccc1 34a_100000761318_100011934791 [0,0,1,0,0,0|3,0,0]=4 203 B13R1.24 C[C@@H](OCCCF)c1ccccc1 7a_100000761318_100011934791 [0,0,1,0,0,0|3,0,0]=4 204 B13R1.24 C[C@@H](OCCCO)c1ccccc1 34a_100000761318_100000230001 [0,0,1,0,0,0|3,0,0]=4 205 B13R1.24 C[C@@H](OCCCO)c1ccccc1 7a_100000761318_100011215043 [0,0,1,0,0,0|3,0,0]=4 206 B13R1.24 NCCOCC(O)c1ccccc1 34a_100000210304_100000185958 [0,0,1,0,0,0|3,0,0]=4 207 B13R1.24 NCCOC[C@@H](O)c1ccccc1 34a_100000210304_100011933945 [0,0,1,0,0,0|3,0,0]=4 208 B13R1.24 N[C@@H](CCOCF)c1ccccc1 34a_100025705951_100015361967 [0,0,1,0,0,0|2,0,0]=3 209 B13R1.24 N[C@H](COCC=O)c1ccccc1 34a_100000751927_200009817547 [0,0,1,0,0,0|2,0,1]=4 210 B13R1.24 N[C@H](COCCF)c1ccccc1 34a_100000751927_100011217306 [0,0,1,0,0,0|2,0,0]=3 211 B13R1.24 N[C@H](COCCF)c1ccncc1 34a_100138412524_100011217306 [0,0,1,0,0,0|3,0,0]=4 212 B13R1.24 N[C@H](COCCO)c1ccccc1 34a_100000751927_100000211926 [0,0,1,0,0,0|2,0,0]=3 213 B13R1.24 N[C@H](COCCO)c1ccncc1 34a_100138412524_100000211926 [0,0,1,0,0,0|3,0,0]=4 214 B13R1.24 O=C(CCCCF)c1ccccc1 1458a_100000185807_100000729493 [0,0,1,0,0,0|2,0,1]=4 215 B13R1.24 O=C(CCCCO)c1ccccc1 1458a_100000185807_100000210776 [0,0,1,0,0,0|2,0,1]=4 216 B13R1.24 OC(CNCCF)c1ccccc1 2230a_100000210709_100011217306 [0,0,1,0,0,0|3,0,0]=4 217 B13R1.24 OC(CNCCF)c1ccccc1 34a_100000724931_100000185958 [0,0,1,0,0,0|3,0,0]=4 218 B13R1.24 OC(COCCBr)c1ccccc1 34a_100000211926_100000185958 [0,0,1,0,0,0|3,0,0]=4 219 B13R1.24 OC(CSCCF)c1ccccc1 62a_100000185958_100011217306 [0,0,1,0,0,0|3,0,0]=4 220 B13R1.24 OC(CSCCF)c1ccccc1 62a_100011217306_100000185958 [0,0,1,0,0,0|3,0,0]=4 221 B13R1.24 OCCNCC(O)c1ccccc1 2230a_100000210709_100000211926 [0,0,1,0,0,0|3,0,0]=4 222 B13R1.24 OCCNCC(O)c1ccccc1 2230a_100016997473_100000185958 [0,0,1,0,0,0|3,0,0]=4 223 B13R1.24 OCCNCC(O)c1ccccc1 34a_100016990907_100000185958 [0,0,1,0,0,0|3,0,0]=4 224 B13R1.24 OCCNC[C@@H](O)c1ccccc1 2230a_100016997473_100011933945 [0,0,1,0,0,0|3,0,0]=4 225 B13R1.24 OCCNC[C@@H](O)c1ccccc1 34a_100016990907_100011933945 [0,0,1,0,0,0|3,0,0]=4 226 B13R1.24 OCCSCC(O)c1ccccc1 62a_100000185958_100000211926 [0,0,1,0,0,0|3,0,0]=4 227 B13R1.24 OCCSCC(O)c1ccccc1 62a_100000211926_100000185958 [0,0,1,0,0,0|3,0,0]=4 228 B13R1.24 OCCSC[C@@H](O)c1ccccc1 62a_100000211926_100011933945 [0,0,1,0,0,0|3,0,0]=4 229 B13R1.24 OCCSC[C@@H](O)c1ccccc1 62a_100011933945_100000211926 [0,0,1,0,0,0|3,0,0]=4 230 B13R1.24 O[C@H](CCSCF)c1ccccc1 62a_100000729684_100015361967 [0,0,1,0,0,0|3,0,0]=4 231 B13R1.24 O[C@H](CCSCF)c1ccccc1 62a_100015361967_100000729684 [0,0,1,0,0,0|3,0,0]=4 232 B13R1.24 O[C@H](CNCCF)c1ccccc1 34a_100000724931_100011933945 [0,0,1,0,0,0|3,0,0]=4 233 B13R1.24 O[C@H](COCCBr)c1ccccc1 34a_100000211926_100011933945 [0,0,1,0,0,0|3,0,0]=4 234 B13R1.24 O[C@H](CSCCF)c1ccccc1 62a_100011217306_100011933945 [0,0,1,0,0,0|3,0,0]=4 235 B13R1.24 O[C@H](CSCCF)c1ccccc1 62a_100011933945_100011217306 [0,0,1,0,0,0|3,0,0]=4 236 B13R1.24 [13CH3]OCCCC(N)c1ccccc1 34a_100000759318_200025704644 [0,0,1,0,0,0|1,0,0]=2 237 B13R1.24 [13CH3]SCCCC(=O)c1ccccc1 62a_100000211006_200025704644 [0,0,1,0,0,0|2,0,1]=4 238 B13R1.24 [13CH3]SCCCC(=O)c1ccccc1 62a_200025704644_100000211006 [0,0,1,0,0,0|2,0,1]=4 239 B13R1.122 CC(C)(COCF)c1ccccc1 7a_100000747608_100015361967 [0,0,1,0,0,0|3,0,0]=4 240 B13R1.122 CC(C)(CSCF)c1ccccc1 62a_100000703224_100015361967 [0,0,1,0,0,0|3,0,0]=4 241 B13R1.122 CC(C)(CSCF)c1ccccc1 62a_100015361967_100000703224 [0,0,1,0,0,0|3,0,0]=4 242 B13R1.122 CC(C)(NCCF)c1ccccc1 2230a_100011218174_100011217306 [0,0,1,0,0,0|3,0,0]=4 243 B13R1.122 CC(C)(NCCO)c1ccccc1 2230a_100011218174_100000211926 [0,0,1,0,0,0|3,0,0]=4 244 B13R1.122 CC(C)(NCCO)c1ccccc1 2230a_100016997473_100000034625 [0,0,1,0,0,0|3,0,0]=4 245 B13R1.122 CC(C)(OCCF)c1ccccc1 7a_100000694644_100011217306 [0,0,1,0,0,0|3,0,0]=4 246 B13R1.122 CC(C)(OCCO)c1ccccc1 7a_100000694644_100000211926 [0,0,1,0,0,0|3,0,0]=4 247 B13R1.122 CC(C)(SCCF)c1ccccc1 62a_100000034625_100011217306 [0,0,1,0,0,0|3,0,0]=4 248 B13R1.122 CC(C)(SCCF)c1ccccc1 62a_100011217306_100000034625 [0,0,1,0,0,0|3,0,0]=4 249 B13R1.122 CC(C)(SCCO)c1ccccc1 62a_100000034625_100000211926 [0,0,1,0,0,0|3,0,0]=4 250 B13R1.122 CC(C)(SCCO)c1ccccc1 62a_100000211926_100000034625 [0,0,1,0,0,0|3,0,0]=4 251 B13R1.122 CCCNC(C)(C)c1ccccc1 2230a_100011218174_100000210303 [0,0,1,0,0,0|2,0,0]=3 252 B13R1.122 CCCNC(C)(C)c1ccccn1 2230a_100011999416_100000210303 [0,0,1,0,0,0|3,0,0]=4 253 B13R1.122 CCCNC(C)(C)c1cccnc1 2230a_100011376175_100000210303 [0,0,1,0,0,0|3,0,0]=4 254 B13R1.122 CCCOC(C)(C)c1ccccc1 7a_100000694644_100000210303 [0,0,1,0,0,0|2,0,0]=3 255 B13R1.122 CCCOC(C)(C)c1ccccn1 7a_100000041474_100000210303 [0,0,1,0,0,0|3,0,0]=4 256 B13R1.122 CCCSC(C)(C)c1ccccc1 62a_100000034625_100000210303 [0,0,1,0,0,0|2,0,0]=3 257 B13R1.122 CCCSC(C)(C)c1ccccc1 62a_100000210303_100000034625 [0,0,1,0,0,0|2,0,0]=3 258 B13R1.122 CCCSC(F)(F)c1ccccc1 62a_100000210303_100000036403 [0,0,1,0,0,0|3,0,0]=4 259 B13R1.122 CCNCC(C)(C)c1ccccc1 2230a_100011211644_100000210202 [0,0,1,0,0,0|2,0,0]=3 260 B13R1.122 CCNCC(C)(O)c1ccccc1 2230a_100011660926_100000210202 [0,0,1,0,0,0|2,0,0]=3 261 B13R1.122 CCNCC(F)(F)c1ccccc1 34a_100000717977_100000210202 [0,0,1,0,0,0|3,0,0]=4 262 B13R1.122 CCNC[Si](C)(C)c1ccccc1 2230a_100015525214_100000038972 [0,0,1,0,0,0|2,1,0]=4 263 B13R1.122 CCOCC(C)(C)c1ccccc1 7a_100000747608_100000210202 [0,0,1,0,0,0|2,0,0]=3 264 B13R1.122 CCOCC(F)(F)c1ccccc1 34a_100121572206_100009875531 [0,0,1,0,0,0|3,0,0]=4 265 B13R1.122 CCSCC(C)(C)c1ccccc1 62a_100000210202_100000703224 [0,0,1,0,0,0|2,0,0]=3 266 B13R1.122 CCSCC(C)(C)c1ccccc1 62a_100000703224_100000210202 [0,0,1,0,0,0|2,0,0]=3 267 B13R1.122 CCSCC(F)(F)c1ccccc1 62a_100000210202_100009875531 [0,0,1,0,0,0|3,0,0]=4 268 B13R1.122 CCSCC(F)(F)c1ccccc1 62a_100009875531_100000210202 [0,0,1,0,0,0|3,0,0]=4 269 B13R1.122 CCSC[Si](C)(C)c1ccccc1 62a_100000038972_100000210202 [0,0,1,0,0,0|2,1,0]=4 270 B13R1.122 CCSC[Si](C)(C)c1ccccc1 62a_100000210202_100000038972 [0,0,1,0,0,0|2,1,0]=4 271 B13R1.122 COCNC(C)(C)c1ccccc1 2230a_100011218174_100000766300 [0,0,1,0,0,0|3,0,0]=4 272 B13R1.122 COCSC(C)(C)c1ccccc1 62a_100000034625_100000766300 [0,0,1,0,0,0|3,0,0]=4 273 B13R1.122 COCSC(C)(C)c1ccccc1 62a_100000766300_100000034625 [0,0,1,0,0,0|3,0,0]=4 274 B13R1.122 CSCNC(C)(C)c1ccccc1 2230a_100011218174_100011218213 [0,0,1,0,0,0|3,0,0]=4 275 B13R1.122 CSCSC(C)(C)c1ccccc1 62a_100000034625_100011218213 [0,0,1,0,0,0|3,0,0]=4 276 B13R1.122 CSCSC(C)(C)c1ccccc1 62a_100011218213_100000034625 [0,0,1,0,0,0|3,0,0]=4 277 B13R1.402 CCC(C)(OCF)c1ccccc1 7a_100000748282_100015361967 [0,0,1,0,0,0|3,0,0]=4 278 B13R1.402 CCCC(C)(OC)c1ccccc1 7a_200011216028_200000210301 [0,0,1,0,0,0|2,0,0]=3 279 B13R1.402 CCCC(C)(O[13CH3])c1ccccc1 7a_200011216028_200025704644 [0,0,1,0,0,0|2,0,0]=3 280 B13R1.402 CCOC(C)(CC)c1ccccc1 7a_100000748282_100000210202 [0,0,1,0,0,0|2,0,0]=3 281 B12R1.8 BrCCCOCc1ccccc1 34a_100011217188_100015291786 [1,0,1,0,0,0|2,0,0]=4 282 B12R1.8 BrCCOCCc1ccccc1 34a_100000211926_100000765856 [1,0,1,0,0,0|2,0,0]=4 283 B12R1.8 CCCCC=Cc1ccccc1 271570a_100016275911_100000210277 [1,0,1,0,0,0|0,0,2]=4 284 B12R1.8 CCCCCNc1ccccc1 34a_100000106764_100000718602 [1,0,1,0,0,0|1,0,0]=3 285 B12R1.8 CCCCCOc1ccccc1 34a_100000210340_100000718602 [1,0,1,0,0,0|1,0,0]=3 286 B12R1.8 CCCCCOc1ccccc1 7a_100000210340_100000210326 [1,0,1,0,0,0|1,0,0]=3 287 B12R1.8 CCCCCOc1cccnc1 34a_100000210849_100000718602 [1,0,1,0,0,0|2,0,0]=4 288 B12R1.8 CCCCCOc1cccnc1 7a_100000210849_100000210326 [1,0,1,0,0,0|2,0,0]=4 289 B12R1.8 CCCCCOc1ccncc1 34a_100000212176_100000718602 [1,0,1,0,0,0|2,0,0]=4 290 B12R1.8 CCCCCSc1ccccc1 62a_100000210326_100000041952 [1,0,1,0,0,0|1,0,0]=3 291 B12R1.8 CCCCCSc1ccccc1 62a_100000719477_100000210326 [1,0,1,0,0,0|1,0,0]=3 292 B12R1.8 CCCCCSc1ccccn1 62a_100000210326_100011216584 [1,0,1,0,0,0|2,0,0]=4 293 B12R1.8 CCCCCSc1ccccn1 62a_100011216584_100000210326 [1,0,1,0,0,0|2,0,0]=4 294 B12R1.8 CCCCCSc1cccnc1 62a_100000210063_100000210326 [1,0,1,0,0,0|2,0,0]=4 295 B12R1.8 CCCCCSc1cccnc1 62a_100000210326_100000210063 [1,0,1,0,0,0|2,0,0]=4 296 B12R1.8 CCCCCSc1ccncc1 62a_100000210326_100000728582 [1,0,1,0,0,0|2,0,0]=4 297 B12R1.8 CCCCCSc1ccncc1 62a_100000728582_100000210326 [1,0,1,0,0,0|2,0,0]=4 298 B12R1.8 CCCCNCc1ccccc1 207a_100000102301_100015611070 [1,0,1,0,0,0|1,0,0]=3 299 B12R1.8 CCCCNCc1ccccc1 2230a_100000102301_100015291786 [1,0,1,0,0,0|1,0,0]=3 300 B12R1.8 CCCCNCc1ccccc1 2230a_100015324214_100000210211 [1,0,1,0,0,0|1,0,0]=3 301 B12R1.8 CCCCNCc1ccccc1 270004a_100000102301_100015611070 [1,0,1,0,0,0|1,0,0]=3 302 B12R1.8 CCCCNCc1ccccc1 34a_100015324214_100000210210 [1,0,1,0,0,0|1,0,0]=3 303 B12R1.8 CCCCNCc1ccccc1 7a_106832991798_100000211182 [1,0,1,0,0,0|1,0,0]=3 304 B12R1.8 CCCCNCc1ccccn1 207a_100000102301_100000209966 [1,0,1,0,0,0|2,0,0]=4 305 B12R1.8 CCCCNCc1ccccn1 2230a_100000102301_100000721315 [1,0,1,0,0,0|2,0,0]=4 306 B12R1.8 CCCCNCc1ccccn1 270004a_100000102301_100000209966 [1,0,1,0,0,0|2,0,0]=4 307 B12R1.8 CCCCNCc1ccccn1 7a_106832991798_100000721315 [1,0,1,0,0,0|2,0,0]=4 308 B12R1.8 CCCCNCc1cccnc1 207a_100000102301_100000209961 [1,0,1,0,0,0|2,0,0]=4 309 B12R1.8 CCCCNCc1cccnc1 2230a_100000102301_100000741622 [1,0,1,0,0,0|2,0,0]=4 310 B12R1.8 CCCCNCc1cccnc1 270004a_100000102301_100000209961 [1,0,1,0,0,0|2,0,0]=4 311 B12R1.8 CCCCNCc1cccnc1 7a_106832991798_100000741622 [1,0,1,0,0,0|2,0,0]=4 312 B12R1.8 CCCCNCc1ccncc1 207a_100000102301_100000186114 [1,0,1,0,0,0|2,0,0]=4 313 B12R1.8 CCCCNCc1ccncc1 2230a_100000102301_100015193705 [1,0,1,0,0,0|2,0,0]=4 314 B12R1.8 CCCCNCc1ccncc1 7a_106832991798_100015193705 [1,0,1,0,0,0|2,0,0]=4 315 B12R1.8 CCCCOCc1ccccc1 34a_100000210227_100015291786 [1,0,1,0,0,0|1,0,0]=3 316 B12R1.8 CCCCOCc1ccccc1 34a_100000210790_100000210210 [1,0,1,0,0,0|1,0,0]=3 317 B12R1.8 CCCCOCc1ccccc1 7a_100000210227_100000211182 [1,0,1,0,0,0|1,0,0]=3 318 B12R1.8 CCCCOCc1ccccc1 7a_100000210790_100000210211 [1,0,1,0,0,0|1,0,0]=3 319 B12R1.8 CCCCOCc1ccccn1 34a_100000210227_100000721315 [1,0,1,0,0,0|2,0,0]=4 320 B12R1.8 CCCCOCc1ccccn1 7a_100000210227_100000721315 [1,0,1,0,0,0|2,0,0]=4 321 B12R1.8 CCCCOCc1cccnc1 34a_100000210227_100000733263 [1,0,1,0,0,0|2,0,0]=4 322 B12R1.8 CCCCOCc1cccnc1 7a_100000210227_100000741622 [1,0,1,0,0,0|2,0,0]=4 323 B12R1.8 CCCCOCc1ccncc1 7a_100000210227_100015193705 [1,0,1,0,0,0|2,0,0]=4 324 B12R1.8 CCCCSCc1ccccc1 62a_100000210211_100015291786 [1,0,1,0,0,0|1,0,0]=3 325 B12R1.8 CCCCSCc1ccccc1 62a_100000211182_100000210210 [1,0,1,0,0,0|1,0,0]=3 326 B12R1.8 CCCCSCc1ccccn1 62a_100000210211_100000721315 [1,0,1,0,0,0|2,0,0]=4 327 B12R1.8 CCCCSCc1ccccn1 62a_100000721315_100000210210 [1,0,1,0,0,0|2,0,0]=4 328 B12R1.8 CCCCSCc1cccnc1 62a_100000210211_100000741622 [1,0,1,0,0,0|2,0,0]=4 329 B12R1.8 CCCCSCc1cccnc1 62a_100000741622_100000210210 [1,0,1,0,0,0|2,0,0]=4 330 B12R1.8 CCCCSCc1ccncc1 62a_100000210211_100015193705 [1,0,1,0,0,0|2,0,0]=4 331 B12R1.8 CCCCSCc1ccncc1 62a_100015193705_100000210210 [1,0,1,0,0,0|2,0,0]=4 332 B12R1.8 CCCNCCc1ccccc1 2230a_100000106460_100000210303 [1,0,1,0,0,0|1,0,0]=3 333 B12R1.8 CCCNCCc1ccccc1 34a_100000106460_100000210303 [1,0,1,0,0,0|1,0,0]=3 334 B12R1.8 CCCNCCc1cccnc1 2230a_100000736294_100000210303 [1,0,1,0,0,0|2,0,0]=4 335 B12R1.8 CCCOCCc1ccccc1 34a_100000210258_100000765856 [1,0,1,0,0,0|1,0,0]=3 336 B12R1.8 CCCOCCc1ccccc1 34a_100000210268_100000210303 [1,0,1,0,0,0|1,0,0]=3 337 B12R1.8 CCCOCCc1ccccc1 7a_100000210268_100000210303 [1,0,1,0,0,0|1,0,0]=3 338 B12R1.8 CCCOCCc1ccccn1 34a_100000210271_100000210303 [1,0,1,0,0,0|2,0,0]=4 339 B12R1.8 CCCOCCc1cccnc1 34a_100011217484_100000210303 [1,0,1,0,0,0|2,0,0]=4 340 B12R1.8 CCCOCCc1ccncc1 34a_100011216225_100000210303 [1,0,1,0,0,0|2,0,0]=4 341 B12R1.8 CCCSCCc1ccccc1 62a_100000210303_100011218657 [1,0,1,0,0,0|1,0,0]=3 342 B12R1.8 CCCSCCc1ccccc1 62a_100000765856_100000210303 [1,0,1,0,0,0|1,0,0]=3 343 B12R1.8 CCCSCCc1ccccn1 62a_100000210303_100015183660 [1,0,1,0,0,0|2,0,0]=4 344 B12R1.8 CCCSCCc1ccccn1 62a_100015183660_100000210303 [1,0,1,0,0,0|2,0,0]=4 345 B12R1.8 CCCSCCc1cccnc1 62a_100000210303_200011713674 [1,0,1,0,0,0|2,0,0]=4 346 B12R1.8 CCCSCCc1cccnc1 62a_200011713674_100000210303 [1,0,1,0,0,0|2,0,0]=4 347 B12R1.8 CCCSCCc1ccncc1 62a_100000210303_100000723409 [1,0,1,0,0,0|2,0,0]=4 348 B12R1.8 CCCSCCc1ccncc1 62a_100000723409_100000210303 [1,0,1,0,0,0|2,0,0]=4 349 B12R1.8 CCCSCSc1ccccc1 62a_100000210303_100011218342 [1,0,1,0,0,0|2,0,0]=4 350 B12R1.8 CCCSCSc1ccccc1 62a_100011218342_100000210303 [1,0,1,0,0,0|2,0,0]=4 351 B12R1.8 CCNCCCc1ccccc1 2230a_100000211184_100000210202 [1,0,1,0,0,0|1,0,0]=3 352 B12R1.8 CCNCCCc1ccccc1 2230a_100015525214_100000211621 [1,0,1,0,0,0|1,0,0]=3 353 B12R1.8 CCNCCCc1ccccc1 34a_100000211184_100000210202 [1,0,1,0,0,0|1,0,0]=3 354 B12R1.8 CCNCCCc1cccnc1 2230a_100011532358_100000210202 [1,0,1,0,0,0|2,0,0]=4 355 B12R1.8 CCNCCCc1cccnc1 34a_100011532358_100000210202 [1,0,1,0,0,0|2,0,0]=4 356 B12R1.8 CCNCCCc1ccncc1 2230a_100011275580_100000210202 [1,0,1,0,0,0|2,0,0]=4 357 B12R1.8 CCNCCOc1ccccc1 2230a_100000174943_100000210202 [1,0,1,0,0,0|2,0,0]=4 358 B12R1.8 CCNCCOc1ccccc1 2230a_100015525214_100000184471 [1,0,1,0,0,0|2,0,0]=4 359 B12R1.8 CCNCCOc1ccccc1 270004a_100015525214_100000758736 [1,0,1,0,0,0|2,0,0]=4 360 B12R1.8 CCNCCOc1ccccc1 34a_100000174943_100000210202 [1,0,1,0,0,0|2,0,0]=4 361 B12R1.8 CCNCCSc1ccccc1 2230a_100000189519_100000210202 [1,0,1,0,0,0|2,0,0]=4 362 B12R1.8 CCNCCSc1ccccc1 2230a_100015525214_100000246102 [1,0,1,0,0,0|2,0,0]=4 363 B12R1.8 CCNCOCc1ccccc1 2230a_100015525214_100000763385 [1,0,1,0,0,0|2,0,0]=4 364 B12R1.8 CCNCSCc1ccccc1 2230a_100015525214_200011217039 [1,0,1,0,0,0|2,0,0]=4 365 B12R1.8 CCOCCCc1ccccc1 34a_100000210828_100000210202 [1,0,1,0,0,0|1,0,0]=3 366 B12R1.8 CCOCCCc1ccccc1 34a_100121572206_100000211621 [1,0,1,0,0,0|1,0,0]=3 367 B12R1.8 CCOCCCc1ccccc1 7a_100000210828_100000210202 [1,0,1,0,0,0|1,0,0]=3 368 B12R1.8 CCOCCCc1ccccn1 34a_100011215068_100000210202 [1,0,1,0,0,0|2,0,0]=4 369 B12R1.8 CCOCCCc1cccnc1 34a_100000211284_100000210202 [1,0,1,0,0,0|2,0,0]=4 370 B12R1.8 CCOCCCc1ccncc1 34a_100000210659_100000210202 [1,0,1,0,0,0|2,0,0]=4 371 B12R1.8 CCOCCNc1ccccc1 34a_100000106764_100000210147 [1,0,1,0,0,0|2,0,0]=4 372 B12R1.8 CCOCCNc1ccccc1 34a_100000211345_100000210202 [1,0,1,0,0,0|2,0,0]=4 373 B12R1.8 CCOCCOc1ccccc1 34a_100000210260_100000210202 [1,0,1,0,0,0|2,0,0]=4 374 B12R1.8 CCOCCOc1ccccc1 34a_100000210340_100000210147 [1,0,1,0,0,0|2,0,0]=4 375 B12R1.8 CCOCCOc1ccccc1 34a_100121572206_100000184471 [1,0,1,0,0,0|2,0,0]=4 376 B12R1.8 CCOCCOc1ccccc1 7a_100000210260_100000210202 [1,0,1,0,0,0|2,0,0]=4 377 B12R1.8 CCOCCOc1ccccc1 7a_100000210340_100011215890 [1,0,1,0,0,0|2,0,0]=4 378 B12R1.8 CCOCCSc1ccccc1 34a_100121572206_100000246102 [1,0,1,0,0,0|2,0,0]=4 379 B12R1.8 CCOCCSc1ccccc1 62a_100000210147_100000041952 [1,0,1,0,0,0|2,0,0]=4 380 B12R1.8 CCOCCSc1ccccc1 62a_100000719477_100011215890 [1,0,1,0,0,0|2,0,0]=4 381 B12R1.8 CCOCCSc1ccccc1 7a_100000230494_100000210202 [1,0,1,0,0,0|2,0,0]=4 382 B12R1.8 CCOCOCc1ccccc1 34a_100121572206_100000763385 [1,0,1,0,0,0|2,0,0]=4 383 B12R1.8 CCOCSCc1ccccc1 34a_100121572206_200011217039 [1,0,1,0,0,0|2,0,0]=4 384 B12R1.8 CCOCSCc1ccccc1 62a_100000211182_100000739092 [1,0,1,0,0,0|2,0,0]=4 385 B12R1.8 CCOCSCc1ccccc1 62a_100000739092_100015291786 [1,0,1,0,0,0|2,0,0]=4 386 B12R1.8 CCSCCCc1ccccc1 62a_100000210202_100000211621 [1,0,1,0,0,0|1,0,0]=3 387 B12R1.8 CCSCCCc1ccccc1 62a_100000211621_100000210202 [1,0,1,0,0,0|1,0,0]=3 388 B12R1.8 CCSCCNc1ccccc1 34a_100000106764_100000757381 [1,0,1,0,0,0|2,0,0]=4 389 B12R1.8 CCSCCOc1ccccc1 34a_100000210340_100000757381 [1,0,1,0,0,0|2,0,0]=4 390 B12R1.8 CCSCCOc1ccccc1 62a_100000184471_100000210202 [1,0,1,0,0,0|2,0,0]=4 391 B12R1.8 CCSCCOc1ccccc1 62a_100000210202_100000184471 [1,0,1,0,0,0|2,0,0]=4 392 B12R1.8 CCSCCOc1ccccc1 7a_100000210340_100000757381 [1,0,1,0,0,0|2,0,0]=4 393 B12R1.8 CCSCCSc1ccccc1 62a_100000210202_100000246102 [1,0,1,0,0,0|2,0,0]=4 394 B12R1.8 CCSCCSc1ccccc1 62a_100000246102_100000210202 [1,0,1,0,0,0|2,0,0]=4 395 B12R1.8 CCSCCSc1ccccc1 62a_100000719477_100000757381 [1,0,1,0,0,0|2,0,0]=4 396 B12R1.8 CCSCCSc1ccccc1 62a_100000757381_100000041952 [1,0,1,0,0,0|2,0,0]=4 397 B12R1.8 CCSCOCc1ccccc1 62a_100000210202_100000763385 [1,0,1,0,0,0|2,0,0]=4 398 B12R1.8 CCSCOCc1ccccc1 62a_100000763385_100000210202 [1,0,1,0,0,0|2,0,0]=4 399 B12R1.8 CCSCSCc1ccccc1 62a_100000210202_200011217039 [1,0,1,0,0,0|2,0,0]=4 400 B12R1.8 CCSCSCc1ccccc1 62a_200011217039_100000210202 [1,0,1,0,0,0|2,0,0]=4 401 B12R1.8 CNCCCCc1ccccc1 2230a_100015280158_200000210301 [1,0,1,0,0,0|1,0,0]=3 402 B12R1.8 CNCCCCc1ccccc1 2230a_106832991635_100000701786 [1,0,1,0,0,0|1,0,0]=3 403 B12R1.8 CNCCCCc1ccccc1 34a_100015280158_200000210301 [1,0,1,0,0,0|1,0,0]=3 404 B12R1.8 CNCCCCc1ccccc1 34a_100102657272_100000701786 [1,0,1,0,0,0|1,0,0]=3 405 B12R1.8 CNCCCCc1ccccc1 7a_106832991635_100000701786 [1,0,1,0,0,0|1,0,0]=3 406 B12R1.8 CNCCCCc1ccncc1 2230a_106832991635_100020630000 [1,0,1,0,0,0|2,0,0]=4 407 B12R1.8 CNCCCCc1ccncc1 7a_106832991635_100020630000 [1,0,1,0,0,0|2,0,0]=4 408 B12R1.8 CNCCCOc1ccccc1 2230a_100000216521_200000210301 [1,0,1,0,0,0|2,0,0]=4 409 B12R1.8 CNCCCOc1ccccc1 2230a_106832991635_100000199009 [1,0,1,0,0,0|2,0,0]=4 410 B12R1.8 CNCCCOc1ccccc1 34a_100000216521_200000210301 [1,0,1,0,0,0|2,0,0]=4 411 B12R1.8 CNCCCOc1ccccc1 34a_100102657272_100000199009 [1,0,1,0,0,0|2,0,0]=4 412 B12R1.8 CNCCCOc1ccccc1 7a_106832991635_100000199009 [1,0,1,0,0,0|2,0,0]=4 413 B12R1.8 CNCCCSc1ccccc1 2230a_100000184639_200000210301 [1,0,1,0,0,0|2,0,0]=4 414 B12R1.8 CNCCCSc1ccccc1 2230a_106832991635_200011203293 [1,0,1,0,0,0|2,0,0]=4 415 B12R1.8 CNCCCSc1ccccc1 34a_100102657272_200011203293 [1,0,1,0,0,0|2,0,0]=4 416 B12R1.8 CNCCCSc1ccccc1 7a_106832991635_200011203293 [1,0,1,0,0,0|2,0,0]=4 417 B12R1.8 CNCCOCc1ccccc1 2230a_100000753106_200000210301 [1,0,1,0,0,0|2,0,0]=4 418 B12R1.8 CNCCOCc1ccccc1 2230a_106832991635_100000234347 [1,0,1,0,0,0|2,0,0]=4 419 B12R1.8 CNCCOCc1ccccc1 34a_100000753106_200000210301 [1,0,1,0,0,0|2,0,0]=4 420 B12R1.8 CNCCOCc1ccccc1 34a_100102657272_100000234347 [1,0,1,0,0,0|2,0,0]=4 421 B12R1.8 CNCCOCc1ccccc1 7a_106832991635_100000234347 [1,0,1,0,0,0|2,0,0]=4 422 B12R1.8 CNCCSCc1ccccc1 2230a_100000189534_200000210301 [1,0,1,0,0,0|2,0,0]=4 423 B12R1.8 CNCCSCc1ccccc1 2230a_106832991635_200011297719 [1,0,1,0,0,0|2,0,0]=4 424 B12R1.8 CNCCSCc1ccccc1 34a_100000189534_200000210301 [1,0,1,0,0,0|2,0,0]=4 425 B12R1.8 CNCCSCc1ccccc1 34a_100102657272_200011297719 [1,0,1,0,0,0|2,0,0]=4 426 B12R1.8 CNCCSCc1ccccc1 7a_100000189534_200000210301 [1,0,1,0,0,0|2,0,0]=4 427 B12R1.8 COCCCCc1ccccc1 34a_100000703073_200000210301 [1,0,1,0,0,0|1,0,0]=3 428 B12R1.8 COCCCCc1ccccc1 34a_100138415774_100000701786 [1,0,1,0,0,0|1,0,0]=3 429 B12R1.8 COCCCCc1ccccc1 7a_100000703073_200000210301 [1,0,1,0,0,0|1,0,0]=3 430 B12R1.8 COCCCCc1ccccn1 34a_100012186994_200000210301 [1,0,1,0,0,0|2,0,0]=4 431 B12R1.8 COCCCCc1cccnc1 34a_100012039607_200000210301 [1,0,1,0,0,0|2,0,0]=4 432 B12R1.8 COCCCCc1cccnc1 7a_100012039607_200000210301 [1,0,1,0,0,0|2,0,0]=4 433 B12R1.8 COCCCCc1ccncc1 34a_100011787716_200000210301 [1,0,1,0,0,0|2,0,0]=4 434 B12R1.8 COCCCNc1ccccc1 34a_100000106764_100000740836 [1,0,1,0,0,0|2,0,0]=4 435 B12R1.8 COCCCNc1ccccc1 34a_100000212590_200000210301 [1,0,1,0,0,0|2,0,0]=4 436 B12R1.8 COCCCOc1ccccc1 34a_100000210340_100000740836 [1,0,1,0,0,0|2,0,0]=4 437 B12R1.8 COCCCOc1ccccc1 34a_100011215863_200000210301 [1,0,1,0,0,0|2,0,0]=4 438 B12R1.8 COCCCOc1ccccc1 34a_100138415774_100000199009 [1,0,1,0,0,0|2,0,0]=4 439 B12R1.8 COCCCOc1ccccc1 7a_100000210340_100000740836 [1,0,1,0,0,0|2,0,0]=4 440 B12R1.8 COCCCOc1ccccc1 7a_100011215863_200000210301 [1,0,1,0,0,0|2,0,0]=4 441 B12R1.8 COCCCSc1ccccc1 34a_100138415774_200011203293 [1,0,1,0,0,0|2,0,0]=4 442 B12R1.8 COCCCSc1ccccc1 62a_100000709357_100000041952 [1,0,1,0,0,0|2,0,0]=4 443 B12R1.8 COCCCSc1ccccc1 62a_100000719477_100000709357 [1,0,1,0,0,0|2,0,0]=4 444 B12R1.8 COCCNCc1ccccc1 207a_100000209980_100015611070 [1,0,1,0,0,0|2,0,0]=4 445 B12R1.8 COCCNCc1ccccc1 2230a_100000209980_100015291786 [1,0,1,0,0,0|2,0,0]=4 446 B12R1.8 COCCNCc1ccccc1 2230a_100015324214_100011201679 [1,0,1,0,0,0|2,0,0]=4 447 B12R1.8 COCCNCc1ccccc1 270004a_100000209980_100015611070 [1,0,1,0,0,0|2,0,0]=4 448 B12R1.8 COCCNCc1ccccc1 34a_100000180844_200000210301 [1,0,1,0,0,0|2,0,0]=4 449 B12R1.8 COCCNCc1ccccc1 34a_100015324214_100011201679 [1,0,1,0,0,0|2,0,0]=4 450 B12R1.8 COCCOCc1ccccc1 34a_100000210237_100015291786 [1,0,1,0,0,0|2,0,0]=4 451 B12R1.8 COCCOCc1ccccc1 34a_100000210790_100011201679 [1,0,1,0,0,0|2,0,0]=4 452 B12R1.8 COCCOCc1ccccc1 34a_100000759325_200000210301 [1,0,1,0,0,0|2,0,0]=4 453 B12R1.8 COCCOCc1ccccc1 34a_100138415774_100000234347 [1,0,1,0,0,0|2,0,0]=4 454 B12R1.8 COCCOCc1ccccc1 7a_100000210790_100000233755 [1,0,1,0,0,0|2,0,0]=4 455 B12R1.8 COCCOCc1ccccc1 7a_100000759325_200000210301 [1,0,1,0,0,0|2,0,0]=4 456 B12R1.8 COCCSCc1ccccc1 34a_100011205989_200000210301 [1,0,1,0,0,0|2,0,0]=4 457 B12R1.8 COCCSCc1ccccc1 34a_100138415774_200011297719 [1,0,1,0,0,0|2,0,0]=4 458 B12R1.8 COCCSCc1ccccc1 62a_100000211182_100000233755 [1,0,1,0,0,0|2,0,0]=4 459 B12R1.8 COCCSCc1ccccc1 62a_100000233755_100015291786 [1,0,1,0,0,0|2,0,0]=4 460 B12R1.8 COCCSCc1ccccc1 7a_100011205989_200000210301 [1,0,1,0,0,0|2,0,0]=4 461 B12R1.8 COCNCCc1ccccc1 2230a_100000106460_100000766300 [1,0,1,0,0,0|2,0,0]=4 462 B12R1.8 COCSCCc1ccccc1 62a_100000765856_100000766300 [1,0,1,0,0,0|2,0,0]=4 463 B12R1.8 COCSCCc1ccccc1 62a_100000766300_100011218657 [1,0,1,0,0,0|2,0,0]=4 464 B12R1.8 CSCCCCc1ccccc1 62a_100000701786_200000210301 [1,0,1,0,0,0|1,0,0]=3 465 B12R1.8 CSCCCCc1ccccc1 62a_200000210301_100000701786 [1,0,1,0,0,0|1,0,0]=3 466 B12R1.8 CSCCCCc1ccncc1 62a_100020630000_200000210301 [1,0,1,0,0,0|2,0,0]=4 467 B12R1.8 CSCCCCc1ccncc1 62a_200000210301_100020630000 [1,0,1,0,0,0|2,0,0]=4 468 B12R1.8 CSCCCOc1ccccc1 62a_100000199009_200000210301 [1,0,1,0,0,0|2,0,0]=4 469 B12R1.8 CSCCCOc1ccccc1 62a_200000210301_100000199009 [1,0,1,0,0,0|2,0,0]=4 470 B12R1.8 CSCCCSc1ccccc1 62a_200000210301_200011203293 [1,0,1,0,0,0|2,0,0]=4 471 B12R1.8 CSCCCSc1ccccc1 62a_200011203293_200000210301 [1,0,1,0,0,0|2,0,0]=4 472 B12R1.8 CSCCNCc1ccccc1 207a_100020590264_100015611070 [1,0,1,0,0,0|2,0,0]=4 473 B12R1.8 CSCCNCc1ccccc1 2230a_100015324214_100000751147 [1,0,1,0,0,0|2,0,0]=4 474 B12R1.8 CSCCNCc1ccccc1 2230a_100020590264_100015291786 [1,0,1,0,0,0|2,0,0]=4 475 B12R1.8 CSCCNCc1ccccc1 270004a_100020590264_100015611070 [1,0,1,0,0,0|2,0,0]=4 476 B12R1.8 CSCCNCc1ccccc1 34a_100015324214_100000212216 [1,0,1,0,0,0|2,0,0]=4 477 B12R1.8 CSCCOCc1ccccc1 34a_100000210790_100000212216 [1,0,1,0,0,0|2,0,0]=4 478 B12R1.8 CSCCOCc1ccccc1 34a_100000230434_100015291786 [1,0,1,0,0,0|2,0,0]=4 479 B12R1.8 CSCCOCc1ccccc1 62a_100000234347_200000210301 [1,0,1,0,0,0|2,0,0]=4 480 B12R1.8 CSCCOCc1ccccc1 62a_200000210301_100000234347 [1,0,1,0,0,0|2,0,0]=4 481 B12R1.8 CSCCOCc1ccccc1 7a_100000210790_100000212216 [1,0,1,0,0,0|2,0,0]=4 482 B12R1.8 CSCCOCc1ccccc1 7a_100000230434_100000211182 [1,0,1,0,0,0|2,0,0]=4 483 B12R1.8 CSCCSCc1ccccc1 62a_100000211182_100000751147 [1,0,1,0,0,0|2,0,0]=4 484 B12R1.8 CSCCSCc1ccccc1 62a_100000212216_100015291786 [1,0,1,0,0,0|2,0,0]=4 485 B12R1.8 CSCCSCc1ccccc1 62a_200000210301_200011297719 [1,0,1,0,0,0|2,0,0]=4 486 B12R1.8 CSCCSCc1ccccc1 62a_200011297719_200000210301 [1,0,1,0,0,0|2,0,0]=4 487 B12R1.8 CSCNCCc1ccccc1 2230a_100000106460_100011218213 [1,0,1,0,0,0|2,0,0]=4 488 B12R1.8 CSCNCCc1ccccc1 34a_100000106460_100011218213 [1,0,1,0,0,0|2,0,0]=4 489 B12R1.8 CSCOCCc1ccccc1 34a_100000210268_100011218213 [1,0,1,0,0,0|2,0,0]=4 490 B12R1.8 CSCSCCc1ccccc1 62a_100000765856_100011218213 [1,0,1,0,0,0|2,0,0]=4 491 B12R1.8 CSCSCCc1ccccc1 62a_100011218213_100011218657 [1,0,1,0,0,0|2,0,0]=4 492 B12R1.8 ClCCCOCc1ccccc1 34a_100000230001_100015291786 [1,0,1,0,0,0|2,0,0]=4 493 B12R1.8 FCCCCNc1ccccc1 34a_100000106764_100000729493 [1,0,1,0,0,0|2,0,0]=4 494 B12R1.8 FCCCCOc1ccccc1 34a_100000210340_100000729493 [1,0,1,0,0,0|2,0,0]=4 495 B12R1.8 FCCCCOc1ccccc1 7a_100000210340_100000729493 [1,0,1,0,0,0|2,0,0]=4 496 B12R1.8 FCCCCSc1ccccc1 62a_100000719477_100000729493 [1,0,1,0,0,0|2,0,0]=4 497 B12R1.8 FCCCCSc1ccccc1 62a_100000729493_100000041952 [1,0,1,0,0,0|2,0,0]=4 498 B12R1.8 FCCCNCc1ccccc1 207a_100015189416_100015611070 [1,0,1,0,0,0|2,0,0]=4 499 B12R1.8 FCCCNCc1ccccc1 2230a_100015189416_100015291786 [1,0,1,0,0,0|2,0,0]=4 500 B12R1.8 FCCCNCc1ccccc1 2230a_100015324214_100011934791 [1,0,1,0,0,0|2,0,0]=4 501 B12R1.8 FCCCNCc1ccccc1 270004a_100015189416_100015611070 [1,0,1,0,0,0|2,0,0]=4 502 B12R1.8 FCCCNCc1ccccc1 34a_100015189416_100015291786 [1,0,1,0,0,0|2,0,0]=4 503 B12R1.8 FCCCNCc1ccccc1 34a_100015324214_100011934791 [1,0,1,0,0,0|2,0,0]=4 504 B12R1.8 FCCCOCc1ccccc1 34a_100000210790_100011934791 [1,0,1,0,0,0|2,0,0]=4 505 B12R1.8 FCCCOCc1ccccc1 34a_100000759539_100015291786 [1,0,1,0,0,0|2,0,0]=4 506 B12R1.8 FCCCOCc1ccccc1 7a_100000210790_100011934791 [1,0,1,0,0,0|2,0,0]=4 507 B12R1.8 FCCCSCc1ccccc1 62a_100000211182_100011934791 [1,0,1,0,0,0|2,0,0]=4 508 B12R1.8 FCCCSCc1ccccc1 62a_100011934791_100015291786 [1,0,1,0,0,0|2,0,0]=4 509 B12R1.8 FCCNCCc1ccccc1 2230a_100000106460_100011217306 [1,0,1,0,0,0|2,0,0]=4 510 B12R1.8 FCCNCCc1ccccc1 34a_100000106460_100011217306 [1,0,1,0,0,0|2,0,0]=4 511 B12R1.8 FCCNCCc1ccccc1 34a_100000724931_100000765856 [1,0,1,0,0,0|2,0,0]=4 512 B12R1.8 FCCOCCc1ccccc1 34a_100000210268_100011217306 [1,0,1,0,0,0|2,0,0]=4 513 B12R1.8 FCCOCCc1ccccc1 7a_100000210268_100011217306 [1,0,1,0,0,0|2,0,0]=4 514 B12R1.8 FCCSCCc1ccccc1 62a_100000765856_100011217306 [1,0,1,0,0,0|2,0,0]=4 515 B12R1.8 FCCSCCc1ccccc1 62a_100011217306_100011218657 [1,0,1,0,0,0|2,0,0]=4 516 B12R1.8 FCNCCCc1ccccc1 34a_100000211184_100015361967 [1,0,1,0,0,0|2,0,0]=4 517 B12R1.8 FCOCCCc1ccccc1 34a_100000210828_100015361967 [1,0,1,0,0,0|2,0,0]=4 518 B12R1.8 FCOCCCc1ccccc1 7a_100000210828_100015361967 [1,0,1,0,0,0|2,0,0]=4 519 B12R1.8 FCSCCCc1ccccc1 62a_100000211621_100015361967 [1,0,1,0,0,0|2,0,0]=4 520 B12R1.8 FCSCCCc1ccccc1 62a_100015361967_100000211621 [1,0,1,0,0,0|2,0,0]=4 521 B12R1.8 NCCCOCc1ccccc1 34a_100000182051_100015291786 [1,0,1,0,0,0|2,0,0]=4 522 B12R1.8 NCCOCCc1ccccc1 34a_100000210304_100000765856 [1,0,1,0,0,0|2,0,0]=4 523 B12R1.8 OCCCCNc1ccccc1 34a_100000106764_100011216708 [1,0,1,0,0,0|2,0,0]=4 524 B12R1.8 OCCCCOc1ccccc1 34a_100000210340_100011216708 [1,0,1,0,0,0|2,0,0]=4 525 B12R1.8 OCCCCOc1ccccc1 7a_100000210340_100000210776 [1,0,1,0,0,0|2,0,0]=4 526 B12R1.8 OCCCCSc1ccccc1 62a_100000210776_100000041952 [1,0,1,0,0,0|2,0,0]=4 527 B12R1.8 OCCCCSc1ccccc1 62a_100000719477_100000210776 [1,0,1,0,0,0|2,0,0]=4 528 B12R1.8 OCCCNCc1ccccc1 207a_100000182051_100015611070 [1,0,1,0,0,0|2,0,0]=4 529 B12R1.8 OCCCNCc1ccccc1 2230a_100015324214_100000230001 [1,0,1,0,0,0|2,0,0]=4 530 B12R1.8 OCCCNCc1ccccc1 270004a_100000182051_100015611070 [1,0,1,0,0,0|2,0,0]=4 531 B12R1.8 OCCCNCc1ccccc1 34a_100015324214_100000230001 [1,0,1,0,0,0|2,0,0]=4 532 B12R1.8 OCCCOCc1ccccc1 34a_100000210790_100000230001 [1,0,1,0,0,0|2,0,0]=4 533 B12R1.8 OCCCOCc1ccccc1 7a_100000210790_100011215043 [1,0,1,0,0,0|2,0,0]=4 534 B12R1.8 OCCCSCc1ccccc1 62a_100000211182_100011215043 [1,0,1,0,0,0|2,0,0]=4 535 B12R1.8 OCCCSCc1ccccc1 62a_100011215043_100015291786 [1,0,1,0,0,0|2,0,0]=4 536 B12R1.8 OCCNCCc1ccccc1 2230a_100000106460_100000211926 [1,0,1,0,0,0|2,0,0]=4 537 B12R1.8 OCCNCCc1ccccc1 2230a_100016997473_100000765856 [1,0,1,0,0,0|2,0,0]=4 538 B12R1.8 OCCNCCc1ccccc1 34a_100000106460_100000211926 [1,0,1,0,0,0|2,0,0]=4 539 B12R1.8 OCCNCCc1ccccc1 34a_100016990907_100000765856 [1,0,1,0,0,0|2,0,0]=4 540 B12R1.8 OCCOCCc1ccccc1 34a_100000210268_100000211926 [1,0,1,0,0,0|2,0,0]=4 541 B12R1.8 OCCOCCc1ccccc1 7a_100000210268_100000211926 [1,0,1,0,0,0|2,0,0]=4 542 B12R1.8 OCCSCCc1ccccc1 62a_100000211926_100011218657 [1,0,1,0,0,0|2,0,0]=4 543 B12R1.8 OCCSCCc1ccccc1 62a_100000765856_100000211926 [1,0,1,0,0,0|2,0,0]=4 544 B12R1.8 [13CH3]NCCCCc1ccccc1 2230a_100015280158_200025704644 [1,0,1,0,0,0|1,0,0]=3 545 B12R1.8 [13CH3]NCCCCc1ccccc1 34a_100015280158_200025704644 [1,0,1,0,0,0|1,0,0]=3 546 B12R1.8 [13CH3]NCCCOc1ccccc1 2230a_100000216521_200025704644 [1,0,1,0,0,0|2,0,0]=4 547 B12R1.8 [13CH3]NCCCOc1ccccc1 34a_100000216521_200025704644 [1,0,1,0,0,0|2,0,0]=4 548 B12R1.8 [13CH3]NCCCSc1ccccc1 2230a_100000184639_200025704644 [1,0,1,0,0,0|2,0,0]=4 549 B12R1.8 [13CH3]NCCOCc1ccccc1 2230a_100000753106_200025704644 [1,0,1,0,0,0|2,0,0]=4 550 B12R1.8 [13CH3]NCCOCc1ccccc1 34a_100000753106_200025704644 [1,0,1,0,0,0|2,0,0]=4 551 B12R1.8 [13CH3]NCCSCc1ccccc1 2230a_100000189534_200025704644 [1,0,1,0,0,0|2,0,0]=4 552 B12R1.8 [13CH3]NCCSCc1ccccc1 34a_100000189534_200025704644 [1,0,1,0,0,0|2,0,0]=4 553 B12R1.8 [13CH3]NCCSCc1ccccc1 7a_100000189534_200025704644 [1,0,1,0,0,0|2,0,0]=4 554 B12R1.8 [13CH3]OCCCCc1ccccc1 34a_100000703073_200025704644 [1,0,1,0,0,0|1,0,0]=3 555 B12R1.8 [13CH3]OCCCCc1ccccc1 7a_100000703073_200025704644 [1,0,1,0,0,0|1,0,0]=3 556 B12R1.8 [13CH3]OCCCCc1ccccn1 34a_100012186994_200025704644 [1,0,1,0,0,0|2,0,0]=4 557 B12R1.8 [13CH3]OCCCCc1cccnc1 34a_100012039607_200025704644 [1,0,1,0,0,0|2,0,0]=4 558 B12R1.8 [13CH3]OCCCCc1cccnc1 7a_100012039607_200025704644 [1,0,1,0,0,0|2,0,0]=4 559 B12R1.8 [13CH3]OCCCCc1ccncc1 34a_100011787716_200025704644 [1,0,1,0,0,0|2,0,0]=4 560 B12R1.8 [13CH3]OCCCNc1ccccc1 34a_100000212590_200025704644 [1,0,1,0,0,0|2,0,0]=4 561 B12R1.8 [13CH3]OCCCOc1ccccc1 34a_100011215863_200025704644 [1,0,1,0,0,0|2,0,0]=4 562 B12R1.8 [13CH3]OCCCOc1ccccc1 7a_100011215863_200025704644 [1,0,1,0,0,0|2,0,0]=4 563 B12R1.8 [13CH3]OCCNCc1ccccc1 34a_100000180844_200025704644 [1,0,1,0,0,0|2,0,0]=4 564 B12R1.8 [13CH3]OCCOCc1ccccc1 34a_100000759325_200025704644 [1,0,1,0,0,0|2,0,0]=4 565 B12R1.8 [13CH3]OCCOCc1ccccc1 7a_100000759325_200025704644 [1,0,1,0,0,0|2,0,0]=4 566 B12R1.8 [13CH3]OCCSCc1ccccc1 34a_100011205989_200025704644 [1,0,1,0,0,0|2,0,0]=4 567 B12R1.8 [13CH3]OCCSCc1ccccc1 7a_100011205989_200025704644 [1,0,1,0,0,0|2,0,0]=4 568 B12R1.8 [13CH3]SCCCCc1ccccc1 62a_100000701786_200025704644 [1,0,1,0,0,0|1,0,0]=3 569 B12R1.8 [13CH3]SCCCCc1ccccc1 62a_200025704644_100000701786 [1,0,1,0,0,0|1,0,0]=3 570 B12R1.8 [13CH3]SCCCCc1ccncc1 62a_100020630000_200025704644 [1,0,1,0,0,0|2,0,0]=4 571 B12R1.8 [13CH3]SCCCCc1ccncc1 62a_200025704644_100020630000 [1,0,1,0,0,0|2,0,0]=4 572 B12R1.8 [13CH3]SCCCOc1ccccc1 62a_100000199009_200025704644 [1,0,1,0,0,0|2,0,0]=4 573 B12R1.8 [13CH3]SCCCOc1ccccc1 62a_200025704644_100000199009 [1,0,1,0,0,0|2,0,0]=4 574 B12R1.8 [13CH3]SCCCSc1ccccc1 62a_200011203293_200025704644 [1,0,1,0,0,0|2,0,0]=4 575 B12R1.8 [13CH3]SCCCSc1ccccc1 62a_200025704644_200011203293 [1,0,1,0,0,0|2,0,0]=4 576 B12R1.8 [13CH3]SCCOCc1ccccc1 62a_100000234347_200025704644 [1,0,1,0,0,0|2,0,0]=4 577 B12R1.8 [13CH3]SCCOCc1ccccc1 62a_200025704644_100000234347 [1,0,1,0,0,0|2,0,0]=4 578 B12R1.8 [13CH3]SCCSCc1ccccc1 62a_200011297719_200025704644 [1,0,1,0,0,0|2,0,0]=4 579 B12R1.8 [13CH3]SCCSCc1ccccc1 62a_200025704644_200011297719 [1,0,1,0,0,0|2,0,0]=4 580 B12R1.30 C=CC=CC(=O)C1CCCCC1 1458a_100016291481_100000210327 [1,0,1,0,0,0|1,0,0]=3 581 B12R1.30 C=CC=CC(=O)C1CCCOC1 1458a_100016291481_100000693364 [1,0,1,0,0,0|2,0,0]=4 582 B12R1.30 C=CC=CC(=O)C1CCOCC1 1458a_100016291481_100011324220 [1,0,1,0,0,0|2,0,0]=4 583 B12R1.30 CC(CNCF)c1ccccc1 34a_100000701038_100015361967 [1,0,1,0,0,0|2,0,0]=4 584 B12R1.30 CC(COCF)c1ccccc1 34a_100011215166_100015361967 [1,0,1,0,0,0|2,0,0]=4 585 B12R1.30 CC(COCF)c1ccccc1 7a_100011215166_100015361967 [1,0,1,0,0,0|2,0,0]=4 586 B12R1.30 CC(CSCF)c1ccccc1 62a_100000756946_100015361967 [1,0,1,0,0,0|2,0,0]=4 587 B12R1.30 CC(CSCF)c1ccccc1 62a_100015361967_100000756946 [1,0,1,0,0,0|2,0,0]=4 588 B12R1.30 CC(NCCF)c1ccccc1 269862a_100000724931_100000185851 [1,0,1,0,0,0|2,0,0]=4 589 B12R1.30 CC(NCCF)c1ccccc1 34a_100000724931_100000211855 [1,0,1,0,0,0|2,0,0]=4 590 B12R1.30 CC(NCCO)c1ccccc1 2230a_100016997473_100000230085 [1,0,1,0,0,0|2,0,0]=4 591 B12R1.30 CC(NCCO)c1ccccc1 269862a_100000210304_100000185851 [1,0,1,0,0,0|2,0,0]=4 592 B12R1.30 CC(NCCO)c1ccccc1 34a_100016990907_100000211855 [1,0,1,0,0,0|2,0,0]=4 593 B12R1.30 CC(OCCBr)c1ccccc1 34a_100000211926_100000211855 [1,0,1,0,0,0|2,0,0]=4 594 B12R1.30 CC(OCCN)c1ccccc1 34a_100000210304_100000211855 [1,0,1,0,0,0|2,0,0]=4 595 B12R1.30 CC(SCCF)c1ccccc1 62a_100000230085_100011217306 [1,0,1,0,0,0|2,0,0]=4 596 B12R1.30 CC(SCCF)c1ccccc1 62a_100011217306_100000230085 [1,0,1,0,0,0|2,0,0]=4 597 B12R1.30 CC(SCCO)c1ccccc1 62a_100000211926_100000230085 [1,0,1,0,0,0|2,0,0]=4 598 B12R1.30 CC(SCCO)c1ccccc1 62a_100000230085_100000211926 [1,0,1,0,0,0|2,0,0]=4 599 B12R1.30 CCCCC(=O)c1ccccc1 1458a_100000185807_100000210211 [1,0,1,0,0,0|1,0,1]=4 600 B12R1.30 CCCCN(C)c1ccccc1 2230a_100000210012_100000210211 [1,0,1,0,0,0|1,0,0]=3 601 B12R1.30 CCCCN(C)c1ccccc1 2230a_100000211623_200000210301 [1,0,1,0,0,0|1,0,0]=3 602 B12R1.30 CCCCN(C)c1ccccc1 269982a_100000210012_100000210211 [1,0,1,0,0,0|1,0,0]=3 603 B12R1.30 CCCCN(C)c1ccccc1 269982a_100000211623_200000210301 [1,0,1,0,0,0|1,0,0]=3 604 B12R1.30 CCCCN(C)c1ccccc1 34a_100000210012_100000210210 [1,0,1,0,0,0|1,0,0]=3 605 B12R1.30 CCCCN(C)c1ccccc1 34a_100000211623_200000210301 [1,0,1,0,0,0|1,0,0]=3 606 B12R1.30 CCCCN([13CH3])c1ccccc1 2230a_100000211623_200025704644 [1,0,1,0,0,0|1,0,0]=3 607 B12R1.30 CCCCN([13CH3])c1ccccc1 269982a_100000211623_200025704644 [1,0,1,0,0,0|1,0,0]=3 608 B12R1.30 CCCCN([13CH3])c1ccccc1 34a_100000211623_200025704644 [1,0,1,0,0,0|1,0,0]=3 609 B12R1.30 CCCNC(C)c1ccccc1 269862a_100020643023_100000185851 [1,0,1,0,0,0|1,0,0]=3 610 B12R1.30 CCCNC(C)c1ccccn1 2230a_100000181244_100000210303 [1,0,1,0,0,0|2,0,0]=4 611 B12R1.30 CCCNC(C)c1ccccn1 269862a_100020643023_100000210467 [1,0,1,0,0,0|2,0,0]=4 612 B12R1.30 CCCNC(C)c1cccnc1 2230a_100000195435_100000210303 [1,0,1,0,0,0|2,0,0]=4 613 B12R1.30 CCCNC(C)c1cccnc1 269862a_100020643023_100000210468 [1,0,1,0,0,0|2,0,0]=4 614 B12R1.30 CCCNC(C)c1ccncc1 2230a_100000181269_100000210303 [1,0,1,0,0,0|2,0,0]=4 615 B12R1.30 CCCNC(C)c1ccncc1 269862a_100020643023_100000185792 [1,0,1,0,0,0|2,0,0]=4 616 B12R1.30 CCCN[C@H](C)c1ccccc1 2230a_100000751104_100000210303 [1,0,1,0,0,0|1,0,0]=3 617 B12R1.30 CCCOC(C)c1ccccc1 34a_100000210258_100000211855 [1,0,1,0,0,0|1,0,0]=3 618 B12R1.30 CCCO[C@H](C)c1ccccc1 34a_100000761318_100000210303 [1,0,1,0,0,0|1,0,0]=3 619 B12R1.30 CCCO[C@H](C)c1ccccc1 7a_100000761318_100000210303 [1,0,1,0,0,0|1,0,0]=3 620 B12R1.30 CCCSC(C)c1ccccc1 62a_100000210303_100000230085 [1,0,1,0,0,0|1,0,0]=3 621 B12R1.30 CCCSC(C)c1ccccc1 62a_100000230085_100000210303 [1,0,1,0,0,0|1,0,0]=3 622 B12R1.30 CCNCC(C)c1ccccc1 2230a_100000701038_100000210202 [1,0,1,0,0,0|1,0,0]=3 623 B12R1.30 CCNCC(C)c1ccccc1 2230a_100015525214_100000756946 [1,0,1,0,0,0|1,0,0]=3 624 B12R1.30 CCNCC(C)c1ccccc1 270004a_100015525214_100000212034 [1,0,1,0,0,0|1,0,0]=3 625 B12R1.30 CCNCC(C)c1ccccc1 34a_100000701038_100000210202 [1,0,1,0,0,0|1,0,0]=3 626 B12R1.30 CCNCC(O)c1ccccc1 2230a_100000210709_100000210202 [1,0,1,0,0,0|2,0,0]=4 627 B12R1.30 CCNCC(O)c1ccccc1 2230a_100015525214_100000185958 [1,0,1,0,0,0|2,0,0]=4 628 B12R1.30 CCNC[C@@H](O)c1ccccc1 2230a_100015525214_100011933945 [1,0,1,0,0,0|2,0,0]=4 629 B12R1.30 CCOCC(C)c1ccccc1 34a_100011215166_100000210202 [1,0,1,0,0,0|1,0,0]=3 630 B12R1.30 CCOCC(C)c1ccccc1 34a_100121572206_100000756946 [1,0,1,0,0,0|1,0,0]=3 631 B12R1.30 CCOCC(C)c1ccccc1 7a_100011215166_100000210202 [1,0,1,0,0,0|1,0,0]=3 632 B12R1.30 CCOCC(O)c1ccccc1 34a_100121572206_100000185958 [1,0,1,0,0,0|2,0,0]=4 633 B12R1.30 CCOCN(C)c1ccccc1 269982a_100000210012_100000739092 [1,0,1,0,0,0|2,0,0]=4 634 B12R1.30 CCOC[C@@H](N)c1ccccc1 34a_100000751927_100000210202 [1,0,1,0,0,0|1,0,0]=3 635 B12R1.30 CCOC[C@@H](N)c1ccncc1 34a_100138412524_100000210202 [1,0,1,0,0,0|2,0,0]=4 636 B12R1.30 CCOC[C@@H](O)c1ccccc1 34a_100121572206_100011933945 [1,0,1,0,0,0|2,0,0]=4 637 B12R1.30 CCSCC(C)c1ccccc1 62a_100000210202_100000756946 [1,0,1,0,0,0|1,0,0]=3 638 B12R1.30 CCSCC(C)c1ccccc1 62a_100000756946_100000210202 [1,0,1,0,0,0|1,0,0]=3 639 B12R1.30 CCSCC(O)c1ccccc1 62a_100000185958_100000210202 [1,0,1,0,0,0|2,0,0]=4 640 B12R1.30 CCSCC(O)c1ccccc1 62a_100000210202_100000185958 [1,0,1,0,0,0|2,0,0]=4 641 B12R1.30 CCSC[C@@H](O)c1ccccc1 62a_100000210202_100011933945 [1,0,1,0,0,0|2,0,0]=4 642 B12R1.30 CCSC[C@@H](O)c1ccccc1 62a_100011933945_100000210202 [1,0,1,0,0,0|2,0,0]=4 643 B12R1.30 CN(CCCF)c1ccccc1 2230a_100000210012_100011934791 [1,0,1,0,0,0|2,0,0]=4 644 B12R1.30 CN(CCCF)c1ccccc1 269982a_100000210012_100011934791 [1,0,1,0,0,0|2,0,0]=4 645 B12R1.30 CN(CCCF)c1ccccc1 34a_100000210012_100011934791 [1,0,1,0,0,0|2,0,0]=4 646 B12R1.30 CN(CCCO)c1ccccc1 2230a_100000210012_100000230001 [1,0,1,0,0,0|2,0,0]=4 647 B12R1.30 CN(CCCO)c1ccccc1 2230a_100000212590_200000210301 [1,0,1,0,0,0|2,0,0]=4 648 B12R1.30 CN(CCCO)c1ccccc1 269982a_100000210012_100011215043 [1,0,1,0,0,0|2,0,0]=4 649 B12R1.30 CN(CCCO)c1ccccc1 269982a_100000212590_200000210301 [1,0,1,0,0,0|2,0,0]=4 650 B12R1.30 CN(CCCO)c1ccccc1 34a_100000210012_100000230001 [1,0,1,0,0,0|2,0,0]=4 651 B12R1.30 CN(CCCO)c1ccccc1 34a_100000212590_200000210301 [1,0,1,0,0,0|2,0,0]=4 652 B12R1.30 CNCCC(C)c1ccccc1 270004a_106832991635_100000189432 [1,0,1,0,0,0|1,0,0]=3 653 B12R1.30 CNCCC(O)c1ccccc1 2230a_100000763605_200000210301 [1,0,1,0,0,0|2,0,0]=4 654 B12R1.30 CNCC[C@@H](O)c1ccccc1 2230a_106832991635_100000729684 [1,0,1,0,0,0|2,0,0]=4 655 B12R1.30 CNCC[C@@H](O)c1ccccc1 34a_100102657272_100000729684 [1,0,1,0,0,0|2,0,0]=4 656 B12R1.30 CNCC[C@@H](O)c1ccccc1 7a_106832991635_100000729684 [1,0,1,0,0,0|2,0,0]=4 657 B12R1.30 COCCN(C)c1ccccc1 2230a_100000210012_100011201679 [1,0,1,0,0,0|2,0,0]=4 658 B12R1.30 COCCN(C)c1ccccc1 269982a_100000210012_100000233755 [1,0,1,0,0,0|2,0,0]=4 659 B12R1.30 COCCN(C)c1ccccc1 34a_100000210012_100011201679 [1,0,1,0,0,0|2,0,0]=4 660 B12R1.30 COCC[C@@H](O)c1ccccc1 34a_100138415774_100000729684 [1,0,1,0,0,0|2,0,0]=4 661 B12R1.30 COCC[C@H](N)c1ccccc1 34a_100025705951_200000210301 [1,0,1,0,0,0|1,0,0]=3 662 B12R1.30 COCN[C@H](C)c1ccccc1 2230a_100000751104_100000766300 [1,0,1,0,0,0|2,0,0]=4 663 B12R1.30 COCSC(C)c1ccccc1 62a_100000230085_100000766300 [1,0,1,0,0,0|2,0,0]=4 664 B12R1.30 COCSC(C)c1ccccc1 62a_100000766300_100000230085 [1,0,1,0,0,0|2,0,0]=4 665 B12R1.30 CSCCN(C)c1ccccc1 2230a_100000210012_100000751147 [1,0,1,0,0,0|2,0,0]=4 666 B12R1.30 CSCCN(C)c1ccccc1 269982a_100000210012_100000212216 [1,0,1,0,0,0|2,0,0]=4 667 B12R1.30 CSCCN(C)c1ccccc1 34a_100000210012_100000212216 [1,0,1,0,0,0|2,0,0]=4 668 B12R1.30 CSCC[C@@H](O)c1ccccc1 62a_100000729684_200000210301 [1,0,1,0,0,0|2,0,0]=4 669 B12R1.30 CSCC[C@@H](O)c1ccccc1 62a_200000210301_100000729684 [1,0,1,0,0,0|2,0,0]=4 670 B12R1.30 CSCN[C@H](C)c1ccccc1 2230a_100000751104_100011218213 [1,0,1,0,0,0|2,0,0]=4 671 B12R1.30 CSCO[C@H](C)c1ccccc1 34a_100000761318_100011218213 [1,0,1,0,0,0|2,0,0]=4 672 B12R1.30 CSCSC(C)c1ccccc1 62a_100000230085_100011218213 [1,0,1,0,0,0|2,0,0]=4 673 B12R1.30 CSCSC(C)c1ccccc1 62a_100011218213_100000230085 [1,0,1,0,0,0|2,0,0]=4 674 B12R1.30 C[C@@H](NCCF)c1ccccc1 2230a_100000751104_100011217306 [1,0,1,0,0,0|2,0,0]=4 675 B12R1.30 C[C@@H](NCCO)c1ccccc1 2230a_100000751104_100000211926 [1,0,1,0,0,0|2,0,0]=4 676 B12R1.30 C[C@@H](OCCF)c1ccccc1 34a_100000761318_100011217306 [1,0,1,0,0,0|2,0,0]=4 677 B12R1.30 C[C@@H](OCCF)c1ccccc1 7a_100000761318_100011217306 [1,0,1,0,0,0|2,0,0]=4 678 B12R1.30 C[C@@H](OCCO)c1ccccc1 34a_100000761318_100000211926 [1,0,1,0,0,0|2,0,0]=4 679 B12R1.30 C[C@@H](OCCO)c1ccccc1 7a_100000761318_100000211926 [1,0,1,0,0,0|2,0,0]=4 680 B12R1.30 N[C@H](COCF)c1ccccc1 34a_100000751927_100015361967 [1,0,1,0,0,0|2,0,0]=4 681 B12R1.30 [13CH3]N(CCCO)c1ccccc1 2230a_100000212590_200025704644 [1,0,1,0,0,0|2,0,0]=4 682 B12R1.30 [13CH3]N(CCCO)c1ccccc1 269982a_100000212590_200025704644 [1,0,1,0,0,0|2,0,0]=4 683 B12R1.30 [13CH3]N(CCCO)c1ccccc1 34a_100000212590_200025704644 [1,0,1,0,0,0|2,0,0]=4 684 B12R1.30 [13CH3]NCCC(O)c1ccccc1 2230a_100000763605_200025704644 [1,0,1,0,0,0|2,0,0]=4 685 B12R1.30 [13CH3]OCC[C@H](N)c1ccccc1 34a_100025705951_200025704644 [1,0,1,0,0,0|1,0,0]=3 686 B12R1.30 [13CH3]SCC[C@@H](O)c1ccccc1 62a_100000729684_200025704644 [1,0,1,0,0,0|2,0,0]=4 687 B12R1.30 [13CH3]SCC[C@@H](O)c1ccccc1 62a_200025704644_100000729684 [1,0,1,0,0,0|2,0,0]=4 688 B12R1.39 CC(C)(CN[13CH3])c1ccccc1 2230a_100011211644_200025704644 [1,0,1,0,0,0|2,0,0]=4 689 B12R1.39 CC(C)(CO[13CH3])c1ccccc1 7a_100000747608_200025704644 [1,0,1,0,0,0|2,0,0]=4 690 B12R1.39 CC(C)(CS[13CH3])c1ccccc1 62a_100000703224_200025704644 [1,0,1,0,0,0|2,0,0]=4 691 B12R1.39 CC(C)(CS[13CH3])c1ccccc1 62a_200025704644_100000703224 [1,0,1,0,0,0|2,0,0]=4 692 B12R1.39 CC(O)(CN[13CH3])c1ccccc1 2230a_100011660926_200025704644 [1,0,1,0,0,0|2,0,0]=4 693 B12R1.39 CCNC(C)(C)c1ccccc1 2230a_100011218174_100000210202 [1,0,1,0,0,0|2,0,0]=4 694 B12R1.39 CCNC(C)(C)c1ccccc1 2230a_100015525214_100000034625 [1,0,1,0,0,0|2,0,0]=4 695 B12R1.39 CCOC(C)(C)c1ccccc1 7a_100000694644_100000210202 [1,0,1,0,0,0|2,0,0]=4 696 B12R1.39 CCSC(C)(C)c1ccccc1 62a_100000034625_100000210202 [1,0,1,0,0,0|2,0,0]=4 697 B12R1.39 CCSC(C)(C)c1ccccc1 62a_100000210202_100000034625 [1,0,1,0,0,0|2,0,0]=4 698 B12R1.39 CNCC(C)(C)c1ccccc1 2230a_100011211644_200000210301 [1,0,1,0,0,0|2,0,0]=4 699 B12R1.39 CNCC(C)(O)c1ccccc1 2230a_100011660926_200000210301 [1,0,1,0,0,0|2,0,0]=4 700 B12R1.39 COCC(C)(C)c1ccccc1 7a_100000747608_200000210301 [1,0,1,0,0,0|2,0,0]=4 701 B12R1.39 CSCC(C)(C)c1ccccc1 62a_100000703224_200000210301 [1,0,1,0,0,0|2,0,0]=4 702 B12R1.39 CSCC(C)(C)c1ccccc1 62a_200000210301_100000703224 [1,0,1,0,0,0|2,0,0]=4 703 B12R1.3 CCC(CNC)c1ccccc1 270004a_106832991635_100000753018 [1,0,1,0,0,0|1,0,0]=3 704 B12R1.3 CCC(COC)c1ccccc1 34a_100000752371_200000210301 [1,0,1,0,0,0|1,0,0]=3 705 B12R1.3 CCC(COC)c1ccccc1 7a_100000752371_200000210301 [1,0,1,0,0,0|1,0,0]=3 706 B12R1.3 CCC(CO[13CH3])c1ccccc1 34a_100000752371_200025704644 [1,0,1,0,0,0|1,0,0]=3 707 B12R1.3 CCC(CO[13CH3])c1ccccc1 7a_100000752371_200025704644 [1,0,1,0,0,0|1,0,0]=3 708 B12R1.3 CCC(OCF)c1ccccc1 34a_100000698172_100015361967 [1,0,1,0,0,0|2,0,0]=4 709 B12R1.3 CCC(OCF)c1ccccc1 7a_100000698172_100015361967 [1,0,1,0,0,0|2,0,0]=4 710 B12R1.3 CCCC(NC)c1ccccc1 2230a_100000189686_200000210301 [1,0,1,0,0,0|1,0,0]=3 711 B12R1.3 CCCC(NC)c1ccccc1 269862a_106832991636_100000211045 [1,0,1,0,0,0|1,0,0]=3 712 B12R1.3 CCCC(NC)c1ccccc1 34a_100000189686_200000210301 [1,0,1,0,0,0|1,0,0]=3 713 B12R1.3 CCCC(NC)c1ccccn1 269862a_106832991636_100000751832 [1,0,1,0,0,0|2,0,0]=4 714 B12R1.3 CCCC(NC)c1cccnc1 2230a_100011351308_200000210301 [1,0,1,0,0,0|2,0,0]=4 715 B12R1.3 CCCC(NC)c1cccnc1 269862a_106832991636_100000700227 [1,0,1,0,0,0|2,0,0]=4 716 B12R1.3 CCCC(NC)c1ccncc1 269862a_106832991636_100011350605 [1,0,1,0,0,0|2,0,0]=4 717 B12R1.3 CCCC(N[13CH3])c1ccccc1 2230a_100000189686_200025704644 [1,0,1,0,0,0|1,0,0]=3 718 B12R1.3 CCCC(N[13CH3])c1ccccc1 34a_100000189686_200025704644 [1,0,1,0,0,0|1,0,0]=3 719 B12R1.3 CCCC(N[13CH3])c1cccnc1 2230a_100011351308_200025704644 [1,0,1,0,0,0|2,0,0]=4 720 B12R1.3 CCCC(OC)c1ccccc1 34a_100000747916_200000210301 [1,0,1,0,0,0|1,0,0]=3 721 B12R1.3 CCCC(OC)c1ccccc1 7a_100000747916_200000210301 [1,0,1,0,0,0|1,0,0]=3 722 B12R1.3 CCCC(O[13CH3])c1ccccc1 34a_100000747916_200025704644 [1,0,1,0,0,0|1,0,0]=3 723 B12R1.3 CCCC(O[13CH3])c1ccccc1 7a_100000747916_200025704644 [1,0,1,0,0,0|1,0,0]=3 724 B12R1.3 CCCN(CC)c1ccccc1 2230a_100000210013_100000210303 [1,0,1,0,0,0|1,0,0]=3 725 B12R1.3 CCCN(CC)c1ccccc1 2230a_200011218496_100000210202 [1,0,1,0,0,0|1,0,0]=3 726 B12R1.3 CCCN(CC)c1ccccc1 269982a_100000210013_100000210303 [1,0,1,0,0,0|1,0,0]=3 727 B12R1.3 CCCN(CC)c1ccccc1 269982a_200011218496_100000204670 [1,0,1,0,0,0|1,0,0]=3 728 B12R1.3 CCCN(CC)c1ccccc1 34a_100000210013_100000210303 [1,0,1,0,0,0|1,0,0]=3 729 B12R1.3 CCCN(CC)c1ccccc1 34a_200011218496_100000210202 [1,0,1,0,0,0|1,0,0]=3 730 B12R1.3 CCCN(CF)c1ccccc1 269982a_200011218496_100015361967 [1,0,1,0,0,0|2,0,0]=4 731 B12R1.3 CCCN(CF)c1ccccc1 34a_200011218496_100015361967 [1,0,1,0,0,0|2,0,0]=4 732 B12R1.3 CCN(CCF)c1ccccc1 2230a_100000210013_100011217306 [1,0,1,0,0,0|2,0,0]=4 733 B12R1.3 CCN(CCF)c1ccccc1 269982a_100000210013_100011217306 [1,0,1,0,0,0|2,0,0]=4 734 B12R1.3 CCN(CCF)c1ccccc1 34a_100000210013_100011217306 [1,0,1,0,0,0|2,0,0]=4 735 B12R1.3 CCN(CCO)c1ccccc1 2230a_100000210013_100000211926 [1,0,1,0,0,0|2,0,0]=4 736 B12R1.3 CCN(CCO)c1ccccc1 2230a_100000211345_100000210202 [1,0,1,0,0,0|2,0,0]=4 737 B12R1.3 CCN(CCO)c1ccccc1 269982a_100000210013_100000211926 [1,0,1,0,0,0|2,0,0]=4 738 B12R1.3 CCN(CCO)c1ccccc1 269982a_100000211345_100000204670 [1,0,1,0,0,0|2,0,0]=4 739 B12R1.3 CCN(CCO)c1ccccc1 34a_100000210013_100000211926 [1,0,1,0,0,0|2,0,0]=4 740 B12R1.3 CCN(CCO)c1ccccc1 34a_100000211345_100000210202 [1,0,1,0,0,0|2,0,0]=4 741 B12R1.3 CCN(COC)c1ccccc1 2230a_100000210013_100000766300 [1,0,1,0,0,0|2,0,0]=4 742 B12R1.3 CCN(COC)c1ccccc1 269982a_100000210013_100000766300 [1,0,1,0,0,0|2,0,0]=4 743 B12R1.3 CCN(CSC)c1ccccc1 2230a_100000210013_100011218213 [1,0,1,0,0,0|2,0,0]=4 744 B12R1.3 CCN(CSC)c1ccccc1 269982a_100000210013_100011218213 [1,0,1,0,0,0|2,0,0]=4 745 B12R1.3 CCN(CSC)c1ccccc1 34a_100000210013_100011218213 [1,0,1,0,0,0|2,0,0]=4 746 B12R1.3 CCNC(CC)c1ccccc1 2230a_100000737752_100000210202 [1,0,1,0,0,0|1,0,0]=3 747 B12R1.3 CCNC(CC)c1ccccc1 269862a_100015525214_100000210124 [1,0,1,0,0,0|1,0,0]=3 748 B12R1.3 CCNC(CC)c1ccccn1 2230a_100015186561_100000210202 [1,0,1,0,0,0|2,0,0]=4 749 B12R1.3 CCNC(CC)c1ccccn1 269862a_100015525214_100000748178 [1,0,1,0,0,0|2,0,0]=4 750 B12R1.3 CCNC(CC)c1cccnc1 2230a_100000246009_100000210202 [1,0,1,0,0,0|2,0,0]=4 751 B12R1.3 CCNC(CC)c1cccnc1 269862a_100015525214_100011218761 [1,0,1,0,0,0|2,0,0]=4 752 B12R1.3 CCNC(CC)c1ccncc1 269862a_100015525214_100011216016 [1,0,1,0,0,0|2,0,0]=4 753 B12R1.3 CCN[C@H](CO)c1ccccc1 2230a_100000751927_100000210202 [1,0,1,0,0,0|2,0,0]=4 754 B12R1.3 CCN[C@H](CO)c1ccccc1 34a_100000751927_100000210202 [1,0,1,0,0,0|2,0,0]=4 755 B12R1.3 CCOC(CBr)c1ccccc1 7a_100000185958_100000210202 [1,0,1,0,0,0|2,0,0]=4 756 B12R1.3 CCOC(CC)c1ccccc1 34a_100000698172_100000210202 [1,0,1,0,0,0|1,0,0]=3 757 B12R1.3 CCOC(CC)c1ccccc1 7a_100000698172_100000210202 [1,0,1,0,0,0|1,0,0]=3 758 B12R1.3 CCOC(CN)c1ccccc1 34a_100000210709_100000210202 [1,0,1,0,0,0|2,0,0]=4 759 B12R1.3 CCO[C@H](CCl)c1ccccc1 34a_100011933945_100000210202 [1,0,1,0,0,0|2,0,0]=4 760 B12R1.3 CCO[C@H](CCl)c1ccccc1 7a_100011933945_100000210202 [1,0,1,0,0,0|2,0,0]=4 761 B12R1.3 CNC(CCCl)c1ccccc1 2230a_106832991635_200010132975 [1,0,1,0,0,0|2,0,0]=4 762 B12R1.3 CNC(CCCl)c1ccccc1 7a_106832991635_200010132975 [1,0,1,0,0,0|2,0,0]=4 763 B12R1.3 CNC(COC)c1ccccc1 269862a_106832991636_100000765260 [1,0,1,0,0,0|2,0,0]=4 764 B12R1.3 CN[C@@H](CCO)c1ccccc1 2230a_100025705951_200000210301 [1,0,1,0,0,0|2,0,0]=4 765 B12R1.3 CN[C@H](COC)c1ccccc1 2230a_103619048568_200000210301 [1,0,1,0,0,0|2,0,0]=4 766 B12R1.3 CN[C@H](COC)c1ccccc1 34a_103619048568_200000210301 [1,0,1,0,0,0|2,0,0]=4 767 B12R1.3 COC(CCN)c1ccccc1 34a_100000763605_200000210301 [1,0,1,0,0,0|2,0,0]=4 768 B12R1.3 COC(CO[13CH3])c1ccccc1 34a_100011215540_200025704644 [1,0,1,0,0,0|2,0,0]=4 769 B12R1.3 COC(CO[13CH3])c1ccccc1 7a_100011215540_200025704644 [1,0,1,0,0,0|2,0,0]=4 770 B12R1.3 COCC(OC)c1ccccc1 34a_100011215540_200000210301 [1,0,1,0,0,0|2,0,0]=4 771 B12R1.3 COCC(OC)c1ccccc1 7a_100011215540_200000210301 [1,0,1,0,0,0|2,0,0]=4 772 B12R1.3 COC[C@@H](N[13CH3])c1ccccc1 2230a_103619048568_200025704644 [1,0,1,0,0,0|2,0,0]=4 773 B12R1.3 COC[C@@H](N[13CH3])c1ccccc1 34a_103619048568_200025704644 [1,0,1,0,0,0|2,0,0]=4 774 B12R1.3 CO[C@H](CCCl)c1ccccc1 34a_100000729684_200000210301 [1,0,1,0,0,0|2,0,0]=4 775 B12R1.3 CO[C@H](CCCl)c1ccccc1 7a_100000729684_200000210301 [1,0,1,0,0,0|2,0,0]=4 776 B12R1.3 CSC(CCCl)c1ccccc1 62a_200000210301_200010132975 [1,0,1,0,0,0|2,0,0]=4 777 B12R1.3 CSC(CCCl)c1ccccc1 62a_200010132975_200000210301 [1,0,1,0,0,0|2,0,0]=4 778 B12R1.3 [13CH3]N[C@@H](CCO)c1ccccc1 2230a_100025705951_200025704644 [1,0,1,0,0,0|2,0,0]=4 779 B12R1.3 [13CH3]OC(CCN)c1ccccc1 34a_100000763605_200025704644 [1,0,1,0,0,0|2,0,0]=4 780 B12R1.3 [13CH3]O[C@H](CCCl)c1ccccc1 34a_100000729684_200025704644 [1,0,1,0,0,0|2,0,0]=4 781 B12R1.3 [13CH3]O[C@H](CCCl)c1ccccc1 7a_100000729684_200025704644 [1,0,1,0,0,0|2,0,0]=4 782 B12R1.3 [13CH3]SC(CCCl)c1ccccc1 62a_200010132975_200025704644 [1,0,1,0,0,0|2,0,0]=4 783 B12R1.3 [13CH3]SC(CCCl)c1ccccc1 62a_200025704644_200010132975 [1,0,1,0,0,0|2,0,0]=4 784 B12R1.475 CCC(C)(OC)c1ccccc1 7a_100000748282_200000210301 [1,0,1,0,0,0|2,0,0]=4 785 B12R1.475 CCC(C)(O[13CH3])c1ccccc1 7a_100000748282_200025704644 [1,0,1,0,0,0|2,0,0]=4 786 B14R1.19 CCCCCC(=O)c1ccc(cc1)Br 1458a_100000185839_100000210326 [0,1,1,0,0,0|1,0,1]=4 787 B14R1.19 CCCCCC(=O)c1ccc(cc1)C 1458a_100000188618_100000210326 [0,1,1,0,0,0|1,0,1]=4 788 B14R1.19 CCCCCC(=O)c1ccc(cc1)Cl 1458a_100000210187_100000210326 [0,1,1,0,0,0|1,0,1]=4 789 B14R1.19 CCCCCC(=O)c1ccc(cc1)F 1458a_100000187176_100000210326 [0,1,1,0,0,0|1,0,1]=4 790 B14R1.19 CCCCCC(=O)c1ccc(cc1)I 1458a_100000187904_100000210326 [0,1,1,0,0,0|1,0,1]=4 791 B14R1.19 CCCCCC(=O)c1ccc(cc1)O 1458a_100000212099_100000210326 [0,1,1,0,0,0|1,0,1]=4 792 B14R1.19 CCCCCC(=O)c1ccc(cc1)O 271570a_203496583355_200011267725 [0,1,1,0,0,0|1,0,1]=4 793 B14R1.19 CCCCCN(C)c1ccc(cc1)Br 2230a_100000219623_100000210326 [0,1,1,0,0,0|2,0,0]=4 794 B14R1.19 CCCCCN(C)c1ccc(cc1)Br 269982a_100000219623_100000210215 [0,1,1,0,0,0|2,0,0]=4 795 B14R1.19 CCCCCN(C)c1ccc(cc1)Br 34a_100000219623_100000718602 [0,1,1,0,0,0|2,0,0]=4 796 B14R1.19 CCCCCN(C)c1ccc(cc1)C 2230a_100000219977_100000210326 [0,1,1,0,0,0|2,0,0]=4 797 B14R1.19 CCCCCN(C)c1ccc(cc1)C 269982a_100000219977_100000210215 [0,1,1,0,0,0|2,0,0]=4 798 B14R1.19 CCCCCN(C)c1ccc(cc1)C 34a_100000219977_100000718602 [0,1,1,0,0,0|2,0,0]=4 799 B14R1.19 CCCCCN(C)c1ccc(cc1)Cl 2230a_100020629279_100000210326 [0,1,1,0,0,0|2,0,0]=4 800 B14R1.19 CCCCCN(C)c1ccc(cc1)Cl 269982a_100020629279_100000210215 [0,1,1,0,0,0|2,0,0]=4 801 B14R1.19 CCCCCN(C)c1ccc(cc1)Cl 34a_100020629279_100000718602 [0,1,1,0,0,0|2,0,0]=4 802 B14R1.19 CCCCCN(C)c1ccc(cc1)F 2230a_100000219829_100000210326 [0,1,1,0,0,0|2,0,0]=4 803 B14R1.19 CCCCCN(C)c1ccc(cc1)F 269982a_100000219829_100000210215 [0,1,1,0,0,0|2,0,0]=4 804 B14R1.19 CCCCCN(C)c1ccc(cc1)F 34a_100000219829_100000718602 [0,1,1,0,0,0|2,0,0]=4 805 B14R1.19 CCCCCN(C)c1ccc(cc1)I 2230a_100000743151_100000210326 [0,1,1,0,0,0|2,0,0]=4 806 B14R1.19 CCCCCN(C)c1ccc(cc1)I 269982a_100000743151_100000210215 [0,1,1,0,0,0|2,0,0]=4 807 B14R1.19 CCCCCN(C)c1ccc(cc1)I 34a_100000743151_100000718602 [0,1,1,0,0,0|2,0,0]=4 808 B14R1.19 CCCCCN(C)c1ccc(cc1)O 269982a_100000182112_100000210215 [0,1,1,0,0,0|2,0,0]=4 809 B14R1.19 CCCCCN(C)c1ccc(cc1)O 34a_100000182112_100000718602 [0,1,1,0,0,0|2,0,0]=4 810 B14R1.19 CCCCNC(C)c1ccc(cc1)Br 2230a_100000102301_100000755118 [0,1,1,0,0,0|2,0,0]=4 811 B14R1.19 CCCCNC(C)c1ccc(cc1)Br 269862a_100000102301_100000185794 [0,1,1,0,0,0|2,0,0]=4 812 B14R1.19 CCCCNC(C)c1ccc(cc1)C 2230a_100000102301_100011261388 [0,1,1,0,0,0|2,0,0]=4 813 B14R1.19 CCCCNC(C)c1ccc(cc1)C 269862a_100000102301_100000185793 [0,1,1,0,0,0|2,0,0]=4 814 B14R1.19 CCCCNC(C)c1ccc(cc1)C 7a_106832991798_100011261388 [0,1,1,0,0,0|2,0,0]=4 815 B14R1.19 CCCCNC(C)c1ccc(cc1)Cl 2230a_100000102301_100000684792 [0,1,1,0,0,0|2,0,0]=4 816 B14R1.19 CCCCNC(C)c1ccc(cc1)Cl 269862a_100000102301_100000185797 [0,1,1,0,0,0|2,0,0]=4 817 B14R1.19 CCCCNC(C)c1ccc(cc1)Cl 7a_106832991798_100000684792 [0,1,1,0,0,0|2,0,0]=4 818 B14R1.19 CCCCNC(C)c1ccc(cc1)F 2230a_100000102301_100000743420 [0,1,1,0,0,0|2,0,0]=4 819 B14R1.19 CCCCNC(C)c1ccc(cc1)F 269862a_100000102301_100000185800 [0,1,1,0,0,0|2,0,0]=4 820 B14R1.19 CCCCNC(C)c1ccc(cc1)F 7a_106832991798_100000743420 [0,1,1,0,0,0|2,0,0]=4 821 B14R1.19 CCCCNC(C)c1ccc(cc1)I 269862a_100000102301_100000185465 [0,1,1,0,0,0|2,0,0]=4 822 B14R1.19 CCCCN[C@@H](C)c1ccc(cc1)F 2230a_100025705893_100000210211 [0,1,1,0,0,0|2,0,0]=4 823 B14R1.19 CCCCN[C@@H](C)c1ccc(cc1)F 34a_100025705893_100000210210 [0,1,1,0,0,0|2,0,0]=4 824 B14R1.19 CCCCN[C@@H](C)c1ccc(cc1)I 2230a_100000753911_100000210211 [0,1,1,0,0,0|2,0,0]=4 825 B14R1.19 CCCCN[C@@H](C)c1ccc(cc1)O 2230a_100161106496_100000210211 [0,1,1,0,0,0|2,0,0]=4 826 B14R1.19 CCCCN[C@H](C)c1ccc(cc1)Br 2230a_100000720352_100000210211 [0,1,1,0,0,0|2,0,0]=4 827 B14R1.19 CCCCN[C@H](C)c1ccc(cc1)C 2230a_100016988085_100000210211 [0,1,1,0,0,0|2,0,0]=4 828 B14R1.19 CCCCN[C@H](C)c1ccc(cc1)C 34a_100016988085_100000210210 [0,1,1,0,0,0|2,0,0]=4 829 B14R1.19 CCCCN[C@H](C)c1ccc(cc1)Cl 2230a_100015205461_100000210211 [0,1,1,0,0,0|2,0,0]=4 830 B14R1.19 CCCCN[C@H](C)c1ccc(cc1)Cl 34a_100015205461_100000210210 [0,1,1,0,0,0|2,0,0]=4 831 B14R1.19 CCCCOC(C)c1ccc(cc1)Br 34a_100000210227_100000755118 [0,1,1,0,0,0|2,0,0]=4 832 B14R1.19 CCCCOC(C)c1ccc(cc1)Br 34a_100000745893_100000210210 [0,1,1,0,0,0|2,0,0]=4 833 B14R1.19 CCCCOC(C)c1ccc(cc1)Br 7a_100000745893_100000210211 [0,1,1,0,0,0|2,0,0]=4 834 B14R1.19 CCCCOC(C)c1ccc(cc1)C 34a_100000210227_100011261388 [0,1,1,0,0,0|2,0,0]=4 835 B14R1.19 CCCCOC(C)c1ccc(cc1)C 7a_100000210227_100011261388 [0,1,1,0,0,0|2,0,0]=4 836 B14R1.19 CCCCOC(C)c1ccc(cc1)Cl 7a_100000210227_100000684792 [0,1,1,0,0,0|2,0,0]=4 837 B14R1.19 CCCCOC(C)c1ccc(cc1)F 34a_100000181323_100000210210 [0,1,1,0,0,0|2,0,0]=4 838 B14R1.19 CCCCOC(C)c1ccc(cc1)F 34a_100000210227_100000743420 [0,1,1,0,0,0|2,0,0]=4 839 B14R1.19 CCCCOC(C)c1ccc(cc1)F 7a_100000181323_100000210211 [0,1,1,0,0,0|2,0,0]=4 840 B14R1.19 CCCCOC(C)c1ccc(cc1)F 7a_100000210227_100000743420 [0,1,1,0,0,0|2,0,0]=4 841 B14R1.19 CCCCOC(C)c1ccc(cc1)N 34a_100011216399_100000210210 [0,1,1,0,0,0|2,0,0]=4 842 B14R1.19 CCCCO[C@@H](C)c1ccc(cc1)Cl 34a_100011852131_100000210210 [0,1,1,0,0,0|2,0,0]=4 843 B14R1.19 CCCCO[C@@H](C)c1ccc(cc1)Cl 7a_100011852131_100000210211 [0,1,1,0,0,0|2,0,0]=4 844 B14R1.19 CCCCO[C@H](C)c1ccc(cc1)C 34a_100000690690_100000210210 [0,1,1,0,0,0|2,0,0]=4 845 B14R1.19 CCCCO[C@H](C)c1ccc(cc1)C 7a_100000690690_100000210211 [0,1,1,0,0,0|2,0,0]=4 846 B14R1.19 CCCCSC(C)c1ccc(cc1)C 62a_100000210211_100011261388 [0,1,1,0,0,0|2,0,0]=4 847 B14R1.19 CCCCSC(C)c1ccc(cc1)C 62a_100011261388_100000210210 [0,1,1,0,0,0|2,0,0]=4 848 B14R1.19 CCCCSC(C)c1ccc(cc1)Cl 62a_100000210211_100000684792 [0,1,1,0,0,0|2,0,0]=4 849 B14R1.19 CCCCSC(C)c1ccc(cc1)Cl 62a_100000684792_100000210210 [0,1,1,0,0,0|2,0,0]=4 850 B14R1.19 CCCCSC(C)c1ccc(cc1)F 62a_100000210211_100000743420 [0,1,1,0,0,0|2,0,0]=4 851 B14R1.19 CCCCSC(C)c1ccc(cc1)F 62a_100000743420_100000210210 [0,1,1,0,0,0|2,0,0]=4 852 B14R1.19 CCCNCC(C)c1ccc(cc1)O 34a_200015188644_100000210303 [0,1,1,0,0,0|2,0,0]=4 853 B14R1.19 CCCNCC(O)c1ccc(cc1)Br 2230a_100020626992_100000210303 [0,1,1,0,0,0|2,0,0]=4 854 B14R1.19 CCCNCC(O)c1ccc(cc1)Br 34a_100020626992_100000210303 [0,1,1,0,0,0|2,0,0]=4 855 B14R1.19 CCCNCC(O)c1ccc(cc1)C 2230a_200020610344_100000210303 [0,1,1,0,0,0|2,0,0]=4 856 B14R1.19 CCCNCC(O)c1ccc(cc1)C 34a_200020610344_100000210303 [0,1,1,0,0,0|2,0,0]=4 857 B14R1.19 CCCNCC(O)c1ccc(cc1)Cl 2230a_100000736658_100000210303 [0,1,1,0,0,0|2,0,0]=4 858 B14R1.19 CCCNCC(O)c1ccc(cc1)Cl 34a_100000736658_100000210303 [0,1,1,0,0,0|2,0,0]=4 859 B14R1.19 CCCNCC(O)c1ccc(cc1)O 34a_100000067596_100000210303 [0,1,1,0,0,0|2,0,0]=4 860 B14R1.19 CCCOCC(N)c1ccc(cc1)Br 34a_100000734186_100000210303 [0,1,1,0,0,0|1,0,0]=3 861 B14R1.19 CCCOCC(N)c1ccc(cc1)F 34a_100000705410_100000210303 [0,1,1,0,0,0|1,0,0]=3 862 B14R1.19 CCCOCC(O)c1ccc(cc1)Cl 34a_100000210258_200011996143 [0,1,1,0,0,0|2,0,0]=4 863 B14R1.19 CCCOC[C@@H](N)c1ccc(cc1)Cl 34a_100009818818_100000210303 [0,1,1,0,0,0|1,0,0]=3 864 B14R1.19 CCCOC[C@H](N)c1ccc(cc1)C 34a_100009818840_100000210303 [0,1,1,0,0,0|1,0,0]=3 865 B14R1.19 CCCOC[C@H](O)c1ccc(cc1)F 34a_100000210258_100000720402 [0,1,1,0,0,0|2,0,0]=4 866 B14R1.19 CCCSCC(O)c1ccc(cc1)Cl 62a_100000210303_200011996143 [0,1,1,0,0,0|2,0,0]=4 867 B14R1.19 CCCSCC(O)c1ccc(cc1)Cl 62a_200011996143_100000210303 [0,1,1,0,0,0|2,0,0]=4 868 B14R1.19 CCCSC[C@H](O)c1ccc(cc1)F 62a_100000210303_100000720402 [0,1,1,0,0,0|2,0,0]=4 869 B14R1.19 CCCSC[C@H](O)c1ccc(cc1)F 62a_100000720402_100000210303 [0,1,1,0,0,0|2,0,0]=4 870 B14R1.19 CCOCCC(N)c1ccc(cc1)C 34a_100011661551_100000210202 [0,1,1,0,0,0|1,0,0]=3 871 B14R1.19 CCOCCC(N)c1ccc(cc1)Cl 34a_100000730317_100000210202 [0,1,1,0,0,0|1,0,0]=3 872 B14R1.19 CCOCCC(N)c1ccc(cc1)F 34a_100000752280_100000210202 [0,1,1,0,0,0|1,0,0]=3 873 B14R1.19 CCOCC[C@H](N)c1ccc(cc1)Br 34a_102125605589_100000210202 [0,1,1,0,0,0|1,0,0]=3 874 B14R1.19 CCOCC[C@H](N)c1ccc(cc1)N 34a_200020642056_100000210202 [0,1,1,0,0,0|1,0,0]=3 875 B14R1.19 CSCOCC(N)c1ccc(cc1)Br 34a_100000734186_100011218213 [0,1,1,0,0,0|2,0,0]=4 876 B14R1.19 CSCOCC(N)c1ccc(cc1)F 34a_100000705410_100011218213 [0,1,1,0,0,0|2,0,0]=4 877 B14R1.19 CSCOC[C@@H](N)c1ccc(cc1)Cl 34a_100009818818_100011218213 [0,1,1,0,0,0|2,0,0]=4 878 B14R1.19 CSCOC[C@H](N)c1ccc(cc1)C 34a_100009818840_100011218213 [0,1,1,0,0,0|2,0,0]=4 879 B14R1.19 Cc1ccc(cc1)C(N)CCOCF 34a_100011661551_100015361967 [0,1,1,0,0,0|2,0,0]=4 880 B14R1.19 Cc1ccc(cc1)[C@@H](N)COCCF 34a_100009818840_100011217306 [0,1,1,0,0,0|2,0,0]=4 881 B14R1.19 Cc1ccc(cc1)[C@@H](N)COCCO 34a_100009818840_100000211926 [0,1,1,0,0,0|2,0,0]=4 882 B14R1.19 NC(CCOCF)c1ccc(cc1)Cl 34a_100000730317_100015361967 [0,1,1,0,0,0|2,0,0]=4 883 B14R1.19 NC(CCOCF)c1ccc(cc1)F 34a_100000752280_100015361967 [0,1,1,0,0,0|2,0,0]=4 884 B14R1.19 NC(COCCF)c1ccc(cc1)Br 34a_100000734186_100011217306 [0,1,1,0,0,0|2,0,0]=4 885 B14R1.19 NC(COCCF)c1ccc(cc1)F 34a_100000705410_100011217306 [0,1,1,0,0,0|2,0,0]=4 886 B14R1.19 NC(COCCO)c1ccc(cc1)Br 34a_100000734186_100000211926 [0,1,1,0,0,0|2,0,0]=4 887 B14R1.19 NC(COCCO)c1ccc(cc1)F 34a_100000705410_100000211926 [0,1,1,0,0,0|2,0,0]=4 888 B14R1.19 N[C@@H](CCOCF)c1ccc(cc1)Br 34a_102125605589_100015361967 [0,1,1,0,0,0|2,0,0]=4 889 B14R1.19 N[C@H](COCCF)c1ccc(cc1)Cl 34a_100009818818_100011217306 [0,1,1,0,0,0|2,0,0]=4 890 B14R1.19 N[C@H](COCCO)c1ccc(cc1)Cl 34a_100009818818_100000211926 [0,1,1,0,0,0|2,0,0]=4 891 B14R1.19 Nc1ccc(cc1)[C@@H](N)CCOCF 34a_200020642056_100015361967 [0,1,1,0,0,0|2,0,0]=4 892 B14R1.19 [2H]C(OCCCC)c1ccc(cc1)F 34a_217856618577_100000210210 [0,1,1,0,0,0|2,0,0]=4 893 B14R1.19 [2H]C(OCCCC)c1ccc(cc1)F 7a_217856618577_100000210211 [0,1,1,0,0,0|2,0,0]=4 894 B14R1.20 CCCCCC(=O)c1cccc(c1)Br 1458a_100000210664_100000210326 [0,1,1,0,0,0|1,0,1]=4 895 B14R1.20 CCCCCC(=O)c1cccc(c1)C 1458a_100000189346_100000210326 [0,1,1,0,0,0|1,0,1]=4 896 B14R1.20 CCCCCC(=O)c1cccc(c1)Cl 1458a_100000210390_100000210326 [0,1,1,0,0,0|1,0,1]=4 897 B14R1.20 CCCCCC(=O)c1cccc(c1)F 1458a_100000210950_100000210326 [0,1,1,0,0,0|1,0,1]=4 898 B14R1.20 CCCCCC(=O)c1cccc(c1)I 1458a_100000184098_100000210326 [0,1,1,0,0,0|1,0,1]=4 899 B14R1.20 CCCCCC(=O)c1cccc(c1)O 1458a_100000183914_100000210326 [0,1,1,0,0,0|1,0,1]=4 900 B14R1.20 CCCCCN(C)c1cccc(c1)Br 2230a_100000219648_100000210326 [0,1,1,0,0,0|2,0,0]=4 901 B14R1.20 CCCCCN(C)c1cccc(c1)Br 269982a_100000219648_100000210215 [0,1,1,0,0,0|2,0,0]=4 902 B14R1.20 CCCCCN(C)c1cccc(c1)Br 34a_100000219648_100000718602 [0,1,1,0,0,0|2,0,0]=4 903 B14R1.20 CCCCCN(C)c1cccc(c1)C 2230a_100000219674_100000210326 [0,1,1,0,0,0|2,0,0]=4 904 B14R1.20 CCCCCN(C)c1cccc(c1)C 269982a_100000219674_100000210215 [0,1,1,0,0,0|2,0,0]=4 905 B14R1.20 CCCCCN(C)c1cccc(c1)C 34a_100000219674_100000718602 [0,1,1,0,0,0|2,0,0]=4 906 B14R1.20 CCCCCN(C)c1cccc(c1)Cl 2230a_100000220044_100000210326 [0,1,1,0,0,0|2,0,0]=4 907 B14R1.20 CCCCCN(C)c1cccc(c1)Cl 269982a_100000220044_100000210215 [0,1,1,0,0,0|2,0,0]=4 908 B14R1.20 CCCCCN(C)c1cccc(c1)Cl 34a_100000220044_100000718602 [0,1,1,0,0,0|2,0,0]=4 909 B14R1.20 CCCCCN(C)c1cccc(c1)F 2230a_100020633736_100000210326 [0,1,1,0,0,0|2,0,0]=4 910 B14R1.20 CCCCCN(C)c1cccc(c1)F 269982a_100020633736_100000210215 [0,1,1,0,0,0|2,0,0]=4 911 B14R1.20 CCCCCN(C)c1cccc(c1)F 34a_100020633736_100000718602 [0,1,1,0,0,0|2,0,0]=4 912 B14R1.20 CCCCCN(C)c1cccc(c1)I 2230a_100000221217_100000210326 [0,1,1,0,0,0|2,0,0]=4 913 B14R1.20 CCCCCN(C)c1cccc(c1)I 269982a_100000221217_100000210215 [0,1,1,0,0,0|2,0,0]=4 914 B14R1.20 CCCCCN(C)c1cccc(c1)I 34a_100000221217_100000718602 [0,1,1,0,0,0|2,0,0]=4 915 B14R1.20 CCCCCN(C)c1cccc(c1)O 2230a_100000756613_100000210326 [0,1,1,0,0,0|2,0,0]=4 916 B14R1.20 CCCCCN(C)c1cccc(c1)O 269982a_100000756613_100000210215 [0,1,1,0,0,0|2,0,0]=4 917 B14R1.20 CCCCCN(C)c1cccc(c1)O 34a_100000756613_100000718602 [0,1,1,0,0,0|2,0,0]=4 918 B14R1.20 CCCCNC(C)c1cccc(c1)Br 2230a_100020642005_100000210211 [0,1,1,0,0,0|2,0,0]=4 919 B14R1.20 CCCCNC(C)c1cccc(c1)Br 269862a_100000102301_100000210093 [0,1,1,0,0,0|2,0,0]=4 920 B14R1.20 CCCCNC(C)c1cccc(c1)C 269862a_100000102301_100000211476 [0,1,1,0,0,0|2,0,0]=4 921 B14R1.20 CCCCNC(C)c1cccc(c1)Cl 2230a_100102723534_100000210211 [0,1,1,0,0,0|2,0,0]=4 922 B14R1.20 CCCCNC(C)c1cccc(c1)Cl 269862a_100000102301_200000210964 [0,1,1,0,0,0|2,0,0]=4 923 B14R1.20 CCCCNC(C)c1cccc(c1)Cl 34a_100102723534_100000210210 [0,1,1,0,0,0|2,0,0]=4 924 B14R1.20 CCCCNC(C)c1cccc(c1)F 269862a_100000102301_100000187083 [0,1,1,0,0,0|2,0,0]=4 925 B14R1.20 CCCCNC(C)c1cccc(c1)I 269862a_100000102301_100011356966 [0,1,1,0,0,0|2,0,0]=4 926 B14R1.20 CCCCNC(C)c1cccc(c1)O 2230a_100000740644_100000210211 [0,1,1,0,0,0|2,0,0]=4 927 B14R1.20 CCCCNC(C)c1cccc(c1)O 269862a_100000102301_100000211620 [0,1,1,0,0,0|2,0,0]=4 928 B14R1.20 CCCCN[C@H](C)c1cccc(c1)C 2230a_100000698126_100000210211 [0,1,1,0,0,0|2,0,0]=4 929 B14R1.20 CCCCN[C@H](C)c1cccc(c1)C 34a_100000698126_100000210210 [0,1,1,0,0,0|2,0,0]=4 930 B14R1.20 CCCCN[C@H](C)c1cccc(c1)F 2230a_100015193778_100000210211 [0,1,1,0,0,0|2,0,0]=4 931 B14R1.20 CCCCN[C@H](C)c1cccc(c1)F 34a_100015193778_100000210210 [0,1,1,0,0,0|2,0,0]=4 932 B14R1.20 CCCCOC(C)c1cccc(c1)Br 34a_100000246457_100000210210 [0,1,1,0,0,0|2,0,0]=4 933 B14R1.20 CCCCOC(C)c1cccc(c1)Br 7a_100000246457_100000210211 [0,1,1,0,0,0|2,0,0]=4 934 B14R1.20 CCCCOC(C)c1cccc(c1)C 34a_100000757818_100000210210 [0,1,1,0,0,0|2,0,0]=4 935 B14R1.20 CCCCOC(C)c1cccc(c1)C 7a_100000757818_100000210211 [0,1,1,0,0,0|2,0,0]=4 936 B14R1.20 CCCCOC(C)c1cccc(c1)F 34a_100000744526_100000210210 [0,1,1,0,0,0|2,0,0]=4 937 B14R1.20 CCCCOC(C)c1cccc(c1)F 7a_100000744526_100000210211 [0,1,1,0,0,0|2,0,0]=4 938 B14R1.20 CCCCOC(C)c1cccc(c1)I 34a_100013085317_100000210210 [0,1,1,0,0,0|2,0,0]=4 939 B14R1.20 CCCCOC(C)c1cccc(c1)I 7a_100013085317_100000210211 [0,1,1,0,0,0|2,0,0]=4 940 B14R1.20 CCCCOC(C)c1cccc(c1)N 34a_100011217120_100000210210 [0,1,1,0,0,0|2,0,0]=4 941 B14R1.20 CCCCOC(C)c1cccc(c1)N 7a_100011217120_100000210211 [0,1,1,0,0,0|2,0,0]=4 942 B14R1.20 CCCCO[C@H](C)c1cccc(c1)Cl 34a_100000747380_100000210210 [0,1,1,0,0,0|2,0,0]=4 943 B14R1.20 CCCCO[C@H](C)c1cccc(c1)Cl 7a_100000747380_100000210211 [0,1,1,0,0,0|2,0,0]=4 944 B14R1.20 CCCNCC(O)c1cccc(c1)O 2230a_100020657549_100000210303 [0,1,1,0,0,0|2,0,0]=4 945 B14R1.20 CCCNCC(O)c1cccc(c1)O 34a_100020657549_100000210303 [0,1,1,0,0,0|2,0,0]=4 946 B14R1.20 CCCOCC(N)c1cccc(c1)Br 34a_100000690078_100000210303 [0,1,1,0,0,0|1,0,0]=3 947 B14R1.20 CCCOCC(N)c1cccc(n1)F 34a_200020642391_100000210303 [0,1,1,0,0,0|2,0,0]=4 948 B14R1.20 CCCOC[C@@H](N)c1cccc(c1)C 34a_100009818812_100000210303 [0,1,1,0,0,0|1,0,0]=3 949 B14R1.20 CCCOC[C@@H](N)c1cccc(c1)F 34a_100020641251_100000210303 [0,1,1,0,0,0|1,0,0]=3 950 B14R1.20 CCCOC[C@H](N)c1cccc(c1)Cl 34a_100032004910_100000210303 [0,1,1,0,0,0|1,0,0]=3 951 B14R1.20 CCOCCC(N)c1cccc(c1)Br 34a_200011661555_100000210202 [0,1,1,0,0,0|1,0,0]=3 952 B14R1.20 CCOCCC(N)c1cccc(c1)C 34a_100011661531_100000210202 [0,1,1,0,0,0|1,0,0]=3 953 B14R1.20 CCOCCC(N)c1cccc(c1)Cl 34a_200011661548_100000210202 [0,1,1,0,0,0|1,0,0]=3 954 B14R1.20 CCOCCC(N)c1cccc(c1)F 34a_100011661530_100000210202 [0,1,1,0,0,0|1,0,0]=3 955 B14R1.20 CSCOCC(N)c1cccc(c1)Br 34a_100000690078_100011218213 [0,1,1,0,0,0|2,0,0]=4 956 B14R1.20 CSCOC[C@@H](N)c1cccc(c1)C 34a_100009818812_100011218213 [0,1,1,0,0,0|2,0,0]=4 957 B14R1.20 CSCOC[C@@H](N)c1cccc(c1)F 34a_100020641251_100011218213 [0,1,1,0,0,0|2,0,0]=4 958 B14R1.20 CSCOC[C@H](N)c1cccc(c1)Cl 34a_100032004910_100011218213 [0,1,1,0,0,0|2,0,0]=4 959 B14R1.20 Cc1cccc(c1)C(N)CCOCF 34a_100011661531_100015361967 [0,1,1,0,0,0|2,0,0]=4 960 B14R1.20 Cc1cccc(c1)[C@H](N)COCCF 34a_100009818812_100011217306 [0,1,1,0,0,0|2,0,0]=4 961 B14R1.20 Cc1cccc(c1)[C@H](N)COCCO 34a_100009818812_100000211926 [0,1,1,0,0,0|2,0,0]=4 962 B14R1.20 NC(CCOCF)c1cccc(c1)Br 34a_200011661555_100015361967 [0,1,1,0,0,0|2,0,0]=4 963 B14R1.20 NC(CCOCF)c1cccc(c1)Cl 34a_200011661548_100015361967 [0,1,1,0,0,0|2,0,0]=4 964 B14R1.20 NC(CCOCF)c1cccc(c1)F 34a_100011661530_100015361967 [0,1,1,0,0,0|2,0,0]=4 965 B14R1.20 NC(COCCF)c1cccc(c1)Br 34a_100000690078_100011217306 [0,1,1,0,0,0|2,0,0]=4 966 B14R1.20 NC(COCCO)c1cccc(c1)Br 34a_100000690078_100000211926 [0,1,1,0,0,0|2,0,0]=4 967 B14R1.20 N[C@@H](COCCF)c1cccc(c1)Cl 34a_100032004910_100011217306 [0,1,1,0,0,0|2,0,0]=4 968 B14R1.20 N[C@@H](COCCO)c1cccc(c1)Cl 34a_100032004910_100000211926 [0,1,1,0,0,0|2,0,0]=4 969 B14R1.20 N[C@H](COCCF)c1cccc(c1)F 34a_100020641251_100011217306 [0,1,1,0,0,0|2,0,0]=4 970 B14R1.20 N[C@H](COCCO)c1cccc(c1)F 34a_100020641251_100000211926 [0,1,1,0,0,0|2,0,0]=4 971 B14R1.29 CCCC(=O)CC(C)c1ccccc1 1458a_100000183687_100000210303 [0,1,1,0,0,0|1,0,1]=4 972 B14R1.29 CCCC(=O)CC(C)c1ccccc1 1458a_100000211992_100000756946 [0,1,1,0,0,0|1,0,1]=4 973 B14R1.29 CCCC(=O)CC(O)c1ccccc1 1458a_100000211992_100000185958 [0,1,1,0,0,0|1,0,1]=4 974 B14R1.29 CCCC(=O)CC(O)c1ccccc1 1458a_100000690199_100000210303 [0,1,1,0,0,0|1,0,1]=4 975 B14R1.29 CCCC(=O)C[C@@H](O)c1ccccc1 1458a_100000211992_100011933945 [0,1,1,0,0,0|1,0,1]=4 976 B14R1.29 CCCC(C)CC(=O)c1ccccc1 1458a_100000185807_100011216630 [0,1,1,0,0,0|1,0,1]=4 977 B14R1.29 CCCC(C)CN(C)c1ccccc1 2230a_100000210012_100011216630 [0,1,1,0,0,0|2,0,0]=4 978 B14R1.29 CCCC(C)CN(C)c1ccccc1 269982a_100000210012_100011216630 [0,1,1,0,0,0|2,0,0]=4 979 B14R1.29 CCCC(C)CN(C)c1ccccc1 34a_100000210012_100011216630 [0,1,1,0,0,0|2,0,0]=4 980 B14R1.29 CCCC(C)NC(C)c1ccccc1 2230a_100000741246_100000230085 [0,1,1,0,0,0|2,0,0]=4 981 B14R1.29 CCCC(C)NC(C)c1ccccc1 269862a_100000741246_100000185851 [0,1,1,0,0,0|2,0,0]=4 982 B14R1.29 CCCC(C)N[C@H](C)c1ccccc1 2230a_100000751104_100000766640 [0,1,1,0,0,0|2,0,0]=4 983 B14R1.29 CCCC(C)N[C@H](C)c1ccccc1 270004a_100000751104_100000211909 [0,1,1,0,0,0|2,0,0]=4 984 B14R1.29 CCCC(C)OC(C)c1ccccc1 34a_100000764384_100000211855 [0,1,1,0,0,0|2,0,0]=4 985 B14R1.29 CCCC(C)OC(C)c1ccccc1 7a_100000764384_100000230085 [0,1,1,0,0,0|2,0,0]=4 986 B14R1.29 CCCC(C)O[C@H](C)c1ccccc1 34a_100000761318_100000766640 [0,1,1,0,0,0|2,0,0]=4 987 B14R1.29 CCCC(C)O[C@H](C)c1ccccc1 7a_100000761318_100000766640 [0,1,1,0,0,0|2,0,0]=4 988 B14R1.29 CCCC(C)SC(C)c1ccccc1 62a_100000230085_100000766640 [0,1,1,0,0,0|2,0,0]=4 989 B14R1.29 CCCC(C)SC(C)c1ccccc1 62a_100000766640_100000230085 [0,1,1,0,0,0|2,0,0]=4 990 B14R1.29 CCCN(C)CC(C)c1ccccc1 2230a_100000747261_100000756946 [0,1,1,0,0,0|2,0,0]=4 991 B14R1.29 CCCN(C)CC(C)c1ccccc1 269982a_100000747261_100000756946 [0,1,1,0,0,0|2,0,0]=4 992 B14R1.29 CCCN(C)CC(C)c1ccccc1 270004a_100000747261_100000212034 [0,1,1,0,0,0|2,0,0]=4 993 B14R1.29 CCCN(C)CC(O)c1ccccc1 2230a_100000227976_100000210303 [0,1,1,0,0,0|2,0,0]=4 994 B14R1.29 CCCN(C)CC(O)c1ccccc1 2230a_100000747261_100000185958 [0,1,1,0,0,0|2,0,0]=4 995 B14R1.29 CCCN(C)CC(O)c1ccccc1 269982a_100000227976_100000210303 [0,1,1,0,0,0|2,0,0]=4 996 B14R1.29 CCCN(C)C[C@@H](O)c1ccccc1 2230a_100000747261_100011933945 [0,1,1,0,0,0|2,0,0]=4 997 B14R1.38 C#CCCOC[C@@H](N)c1ccccc1 34a_100000751927_100000688953 [0,1,1,0,0,0|0,0,2]=4 998 B14R1.38 C#CCOCC[C@H](N)c1ccccc1 34a_100025705951_100000184674 [0,1,1,0,0,0|0,0,2]=4 999 B14R1.38 C/C=C/COC[C@@H](N)c1ccccc1 34a_100000751927_100102629194 [0,1,1,0,0,0|0,0,2]=4 1000 B14R1.38 C=CCCOC[C@@H](N)c1ccccc1 34a_100000751927_100000754431 [0,1,1,0,0,0|0,0,2]=4 1001 B14R1.38 C=CCOCC[C@H](N)c1ccccc1 34a_100025705951_100015514636 [0,1,1,0,0,0|0,0,2]=4 1002 B14R1.38 CC#CCOC[C@@H](N)c1ccccc1 34a_100000751927_100000748600 [0,1,1,0,0,0|0,0,2]=4 1003 B14R1.38 CC(CCNCCO)c1ccccc1 270004a_100000210304_100000189432 [0,1,1,0,0,0|2,0,0]=4 1004 B14R1.38 CC(CNCCCF)c1ccccc1 2230a_100000701038_100011934791 [0,1,1,0,0,0|2,0,0]=4 1005 B14R1.38 CC(CNCCCF)c1ccccc1 2230a_100015189416_100000756946 [0,1,1,0,0,0|2,0,0]=4 1006 B14R1.38 CC(CNCCCF)c1ccccc1 270004a_100015189416_100000212034 [0,1,1,0,0,0|2,0,0]=4 1007 B14R1.38 CC(CNCCCF)c1ccccc1 34a_100000701038_100011934791 [0,1,1,0,0,0|2,0,0]=4 1008 B14R1.38 CC(CNCCCF)c1ccccc1 34a_100015189416_100000756946 [0,1,1,0,0,0|2,0,0]=4 1009 B14R1.38 CC(CNCCCO)c1ccccc1 2230a_100000701038_100000230001 [0,1,1,0,0,0|2,0,0]=4 1010 B14R1.38 CC(CNCCCO)c1ccccc1 270004a_100000182051_100000212034 [0,1,1,0,0,0|2,0,0]=4 1011 B14R1.38 CC(CNCCCO)c1ccccc1 34a_100000701038_100000230001 [0,1,1,0,0,0|2,0,0]=4 1012 B14R1.38 CC(COCCCBr)c1ccccc1 34a_100011217188_100000756946 [0,1,1,0,0,0|2,0,0]=4 1013 B14R1.38 CC(COCCCCl)c1ccccc1 34a_100000230001_100000756946 [0,1,1,0,0,0|2,0,0]=4 1014 B14R1.38 CC(COCCCF)c1ccccc1 34a_100000759539_100000756946 [0,1,1,0,0,0|2,0,0]=4 1015 B14R1.38 CC(COCCCF)c1ccccc1 34a_100011215166_100011934791 [0,1,1,0,0,0|2,0,0]=4 1016 B14R1.38 CC(COCCCF)c1ccccc1 7a_100011215166_100011934791 [0,1,1,0,0,0|2,0,0]=4 1017 B14R1.38 CC(COCCCN)c1ccccc1 34a_100000182051_100000756946 [0,1,1,0,0,0|2,0,0]=4 1018 B14R1.38 CC(COCCCO)c1ccccc1 34a_100011215166_100000230001 [0,1,1,0,0,0|2,0,0]=4 1019 B14R1.38 CC(COCCCO)c1ccccc1 7a_100011215166_100011215043 [0,1,1,0,0,0|2,0,0]=4 1020 B14R1.38 CC(CSCCCF)c1ccccc1 62a_100000756946_100011934791 [0,1,1,0,0,0|2,0,0]=4 1021 B14R1.38 CC(CSCCCF)c1ccccc1 62a_100011934791_100000756946 [0,1,1,0,0,0|2,0,0]=4 1022 B14R1.38 CC(CSCCCO)c1ccccc1 62a_100000756946_100011215043 [0,1,1,0,0,0|2,0,0]=4 1023 B14R1.38 CC(CSCCCO)c1ccccc1 62a_100011215043_100000756946 [0,1,1,0,0,0|2,0,0]=4 1024 B14R1.38 CC(NCCCCO)c1ccccc1 2230a_100000750430_100000230085 [0,1,1,0,0,0|2,0,0]=4 1025 B14R1.38 CC(NCCCCO)c1ccccc1 269862a_100000750430_100000185851 [0,1,1,0,0,0|2,0,0]=4 1026 B14R1.38 CC(NCCCCO)c1ccccc1 34a_100000750430_100000211855 [0,1,1,0,0,0|2,0,0]=4 1027 B14R1.38 CC(OCCCCBr)c1ccccc1 34a_100011216708_100000211855 [0,1,1,0,0,0|2,0,0]=4 1028 B14R1.38 CC(OCCCCCl)c1ccccc1 34a_100000210776_100000211855 [0,1,1,0,0,0|2,0,0]=4 1029 B14R1.38 CC(OCCCCCl)c1ccccc1 7a_100000210776_100000230085 [0,1,1,0,0,0|2,0,0]=4 1030 B14R1.38 CC(OCCCCF)c1ccccc1 34a_100011995726_100000211855 [0,1,1,0,0,0|2,0,0]=4 1031 B14R1.38 CC(OCCCCF)c1ccccc1 7a_100011995726_100000230085 [0,1,1,0,0,0|2,0,0]=4 1032 B14R1.38 CC(OCCCCI)c1ccccc1 34a_200012148704_100000211855 [0,1,1,0,0,0|2,0,0]=4 1033 B14R1.38 CC(OCCCCN)c1ccccc1 34a_100000750430_100000211855 [0,1,1,0,0,0|2,0,0]=4 1034 B14R1.38 CC(OCCCN[13CH3])c1ccccc1 2230a_100000206020_200025704644 [0,1,1,0,0,0|2,0,0]=4 1035 B14R1.38 CC(OCCCN[13CH3])c1ccccc1 34a_100000206020_200025704644 [0,1,1,0,0,0|2,0,0]=4 1036 B14R1.38 CC(SCCCCF)c1ccccc1 62a_100000230085_100000729493 [0,1,1,0,0,0|2,0,0]=4 1037 B14R1.38 CC(SCCCCF)c1ccccc1 62a_100000729493_100000230085 [0,1,1,0,0,0|2,0,0]=4 1038 B14R1.38 CC(SCCCCO)c1ccccc1 62a_100000210776_100000230085 [0,1,1,0,0,0|2,0,0]=4 1039 B14R1.38 CC(SCCCCO)c1ccccc1 62a_100000230085_100000210776 [0,1,1,0,0,0|2,0,0]=4 1040 B14R1.38 CC=CCOC[C@@H](N)c1ccccc1 34a_100000751927_100000070051 [0,1,1,0,0,0|0,0,2]=4 1041 B14R1.38 CCCCCCC(=O)c1ccccc1 1458a_100000185807_100000210757 [0,1,1,0,0,0|1,0,1]=4 1042 B14R1.38 CCCCCCN(C)c1ccccc1 2230a_100000210012_100000210314 [0,1,1,0,0,0|2,0,0]=4 1043 B14R1.38 CCCCCCN(C)c1ccccc1 2230a_200000219565_200000210301 [0,1,1,0,0,0|2,0,0]=4 1044 B14R1.38 CCCCCCN(C)c1ccccc1 269982a_100000210012_100000210757 [0,1,1,0,0,0|2,0,0]=4 1045 B14R1.38 CCCCCCN(C)c1ccccc1 269982a_200000219565_200000210301 [0,1,1,0,0,0|2,0,0]=4 1046 B14R1.38 CCCCCCN(C)c1ccccc1 34a_100000210012_100000210314 [0,1,1,0,0,0|2,0,0]=4 1047 B14R1.38 CCCCCCN(C)c1ccccc1 34a_200000219565_200000210301 [0,1,1,0,0,0|2,0,0]=4 1048 B14R1.38 CCCCCCN(C)c1ccccc1 7a_200000219565_200000210301 [0,1,1,0,0,0|2,0,0]=4 1049 B14R1.38 CCCCCCN([13CH3])c1ccccc1 2230a_200000219565_200025704644 [0,1,1,0,0,0|2,0,0]=4 1050 B14R1.38 CCCCCCN([13CH3])c1ccccc1 269982a_200000219565_200025704644 [0,1,1,0,0,0|2,0,0]=4 1051 B14R1.38 CCCCCCN([13CH3])c1ccccc1 34a_200000219565_200025704644 [0,1,1,0,0,0|2,0,0]=4 1052 B14R1.38 CCCCCCN([13CH3])c1ccccc1 7a_200000219565_200025704644 [0,1,1,0,0,0|2,0,0]=4 1053 B14R1.38 CCCCCNC(=O)c1ccccc1 11a_100000209983_100000185807 [0,1,1,0,0,0|1,0,1]=4 1054 B14R1.38 CCCCCNC(=O)c1ccccc1 1626a_100000209983_100000185807 [0,1,1,0,0,0|1,0,1]=4 1055 B14R1.38 CCCCCNC(=O)c1ccccc1 240690a_100000209983_100000185807 [0,1,1,0,0,0|1,0,1]=4 1056 B14R1.38 CCCCCNC(=O)c1ccccc1 527a_100000209983_100000185807 [0,1,1,0,0,0|1,0,1]=4 1057 B14R1.38 CCCCCNC(C)c1ccccc1 2230a_100000209983_100000230085 [0,1,1,0,0,0|1,0,0]=3 1058 B14R1.38 CCCCCNC(C)c1ccccc1 269862a_100000209983_100000185851 [0,1,1,0,0,0|1,0,0]=3 1059 B14R1.38 CCCCCNC(C)c1ccccn1 2230a_100000181244_100000210326 [0,1,1,0,0,0|2,0,0]=4 1060 B14R1.38 CCCCCNC(C)c1ccccn1 269862a_100000209983_100000210467 [0,1,1,0,0,0|2,0,0]=4 1061 B14R1.38 CCCCCNC(C)c1cccnc1 2230a_100000195435_100000210326 [0,1,1,0,0,0|2,0,0]=4 1062 B14R1.38 CCCCCNC(C)c1cccnc1 269862a_100000209983_100000210468 [0,1,1,0,0,0|2,0,0]=4 1063 B14R1.38 CCCCCNC(C)c1ccncc1 2230a_100000181269_100000210326 [0,1,1,0,0,0|2,0,0]=4 1064 B14R1.38 CCCCCNC(C)c1ccncc1 269862a_100000209983_100000185792 [0,1,1,0,0,0|2,0,0]=4 1065 B14R1.38 CCCCCN[C@H](C)c1ccccc1 2230a_100000751104_100000210326 [0,1,1,0,0,0|1,0,0]=3 1066 B14R1.38 CCCCCOC(C)c1ccccc1 34a_100000210253_100000211855 [0,1,1,0,0,0|1,0,0]=3 1067 B14R1.38 CCCCCOC(C)c1ccccc1 7a_100000210253_100000230085 [0,1,1,0,0,0|1,0,0]=3 1068 B14R1.38 CCCCCO[C@H](C)c1ccccc1 34a_100000761318_100000718602 [0,1,1,0,0,0|1,0,0]=3 1069 B14R1.38 CCCCCO[C@H](C)c1ccccc1 7a_100000761318_100000210326 [0,1,1,0,0,0|1,0,0]=3 1070 B14R1.38 CCCCCSC(C)c1ccccc1 62a_100000210326_100000230085 [0,1,1,0,0,0|1,0,0]=3 1071 B14R1.38 CCCCCSC(C)c1ccccc1 62a_100000230085_100000210326 [0,1,1,0,0,0|1,0,0]=3 1072 B14R1.38 CCCCNCC(=O)c1ccccc1 7a_106832991798_100000211460 [0,1,1,0,0,0|1,0,1]=4 1073 B14R1.38 CCCCNCC(C)c1ccccc1 2230a_100000102301_100000756946 [0,1,1,0,0,0|1,0,0]=3 1074 B14R1.38 CCCCNCC(C)c1ccccc1 2230a_100000701038_100000210211 [0,1,1,0,0,0|1,0,0]=3 1075 B14R1.38 CCCCNCC(C)c1ccccc1 270004a_100000102301_100000212034 [0,1,1,0,0,0|1,0,0]=3 1076 B14R1.38 CCCCNCC(C)c1ccccc1 34a_100000701038_100000210210 [0,1,1,0,0,0|1,0,0]=3 1077 B14R1.38 CCCCNCC(C)c1ccccc1 7a_106832991798_100000756946 [0,1,1,0,0,0|1,0,0]=3 1078 B14R1.38 CCCCNCC(O)c1ccccc1 2230a_100000102301_100000185958 [0,1,1,0,0,0|1,0,0]=3 1079 B14R1.38 CCCCNCC(O)c1ccccc1 2230a_100000210709_100000210211 [0,1,1,0,0,0|1,0,0]=3 1080 B14R1.38 CCCCNCC(O)c1ccccc1 7a_106832991798_100000185958 [0,1,1,0,0,0|1,0,0]=3 1081 B14R1.38 CCCCNCC(O)c1ccccn1 2230a_100000691469_100000210211 [0,1,1,0,0,0|2,0,0]=4 1082 B14R1.38 CCCCNCC(O)c1cccnc1 2230a_100020605170_100000210211 [0,1,1,0,0,0|2,0,0]=4 1083 B14R1.38 CCCCNC[C@@H](O)c1ccccc1 2230a_100000102301_100011933945 [0,1,1,0,0,0|1,0,0]=3 1084 B14R1.38 CCCCNC[C@@H](O)c1ccccc1 7a_106832991798_100011933945 [0,1,1,0,0,0|1,0,0]=3 1085 B14R1.38 CCCCOCC(=O)c1ccccc1 1458a_100000185807_100011995733 [0,1,1,0,0,0|1,0,1]=4 1086 B14R1.38 CCCCOCC(=O)c1ccccc1 7a_100000210227_100000211460 [0,1,1,0,0,0|1,0,1]=4 1087 B14R1.38 CCCCOCC(C)c1ccccc1 34a_100000210227_100000756946 [0,1,1,0,0,0|1,0,0]=3 1088 B14R1.38 CCCCOCC(C)c1ccccc1 34a_100011215166_100000210210 [0,1,1,0,0,0|1,0,0]=3 1089 B14R1.38 CCCCOCC(C)c1ccccc1 7a_100000210227_100000756946 [0,1,1,0,0,0|1,0,0]=3 1090 B14R1.38 CCCCOCC(C)c1ccccc1 7a_100011215166_100000210211 [0,1,1,0,0,0|1,0,0]=3 1091 B14R1.38 CCCCOCC(O)c1ccccc1 34a_100000210227_100000185958 [0,1,1,0,0,0|1,0,0]=3 1092 B14R1.38 CCCCOCC(O)c1ccccc1 7a_100000210227_100000185958 [0,1,1,0,0,0|1,0,0]=3 1093 B14R1.38 CCCCOCN(C)c1ccccc1 2230a_100000210012_100011995733 [0,1,1,0,0,0|2,0,0]=4 1094 B14R1.38 CCCCOCN(C)c1ccccc1 269982a_100000210012_100011995733 [0,1,1,0,0,0|2,0,0]=4 1095 B14R1.38 CCCCOCN(C)c1ccccc1 34a_100000210012_100011995733 [0,1,1,0,0,0|2,0,0]=4 1096 B14R1.38 CCCCOC[C@@H](N)c1ccccc1 34a_100000751927_100000210210 [0,1,1,0,0,0|0,0,0]=2 1097 B14R1.38 CCCCOC[C@@H](N)c1ccncc1 34a_100138412524_100000210210 [0,1,1,0,0,0|1,0,0]=3 1098 B14R1.38 CCCCOC[C@@H](O)c1ccccc1 34a_100000210227_100011933945 [0,1,1,0,0,0|1,0,0]=3 1099 B14R1.38 CCCCOC[C@@H](O)c1ccccc1 7a_100000210227_100011933945 [0,1,1,0,0,0|1,0,0]=3 1100 B14R1.38 CCCCSCC(=O)c1ccccc1 62a_100000210211_100000211460 [0,1,1,0,0,0|1,0,1]=4 1101 B14R1.38 CCCCSCC(=O)c1ccccc1 62a_100000211460_100000210210 [0,1,1,0,0,0|1,0,1]=4 1102 B14R1.38 CCCCSCC(C)c1ccccc1 62a_100000210211_100000756946 [0,1,1,0,0,0|1,0,0]=3 1103 B14R1.38 CCCCSCC(C)c1ccccc1 62a_100000756946_100000210210 [0,1,1,0,0,0|1,0,0]=3 1104 B14R1.38 CCCCSCC(O)c1ccccc1 62a_100000185958_100000210210 [0,1,1,0,0,0|1,0,0]=3 1105 B14R1.38 CCCCSCC(O)c1ccccc1 62a_100000210211_100000185958 [0,1,1,0,0,0|1,0,0]=3 1106 B14R1.38 CCCCSCS(=O)c1ccccc1 62a_100000210211_100000031784 [0,1,1,0,0,0|2,0,0]=4 1107 B14R1.38 CCCCSC[C@@H](O)c1ccccc1 62a_100000210211_100011933945 [0,1,1,0,0,0|1,0,0]=3 1108 B14R1.38 CCCCSC[C@@H](O)c1ccccc1 62a_100011933945_100000210210 [0,1,1,0,0,0|1,0,0]=3 1109 B14R1.38 CCCNCCC(C)c1ccccc1 270004a_100020643023_100000189432 [0,1,1,0,0,0|1,0,0]=3 1110 B14R1.38 CCCNCCC(O)c1ccccc1 2230a_100000763605_100000210303 [0,1,1,0,0,0|1,0,0]=3 1111 B14R1.38 CCCOCCC(=O)c1ccccc1 1458a_100000185807_100011215938 [0,1,1,0,0,0|1,0,1]=4 1112 B14R1.38 CCCOCCN(C)c1ccccc1 2230a_100000210012_100011215938 [0,1,1,0,0,0|2,0,0]=4 1113 B14R1.38 CCCOCCN(C)c1ccccc1 269982a_100000210012_100011215938 [0,1,1,0,0,0|2,0,0]=4 1114 B14R1.38 CCCOCCN(C)c1ccccc1 34a_100000210012_100011215938 [0,1,1,0,0,0|2,0,0]=4 1115 B14R1.38 CCCOCC[C@@H](O)c1ccccc1 34a_100000210258_100000729684 [0,1,1,0,0,0|1,0,0]=3 1116 B14R1.38 CCCOCC[C@H](N)c1ccccc1 34a_100025705951_100000210303 [0,1,1,0,0,0|0,0,0]=2 1117 B14R1.38 CCCSCCC(=O)c1ccccc1 62a_100000210303_100000750707 [0,1,1,0,0,0|1,0,1]=4 1118 B14R1.38 CCCSCCC(=O)c1ccccc1 62a_100000750707_100000210303 [0,1,1,0,0,0|1,0,1]=4 1119 B14R1.38 CCCSCCS(=O)c1ccccc1 62a_100000210303_100000740319 [0,1,1,0,0,0|2,0,0]=4 1120 B14R1.38 CCCSCC[C@@H](O)c1ccccc1 62a_100000210303_100000729684 [0,1,1,0,0,0|1,0,0]=3 1121 B14R1.38 CCCSCC[C@@H](O)c1ccccc1 62a_100000729684_100000210303 [0,1,1,0,0,0|1,0,0]=3 1122 B14R1.38 CCNCCCC(=O)c1ccccc1 2230a_100015525214_100000211006 [0,1,1,0,0,0|1,0,1]=4 1123 B14R1.38 CCOCCCC(=O)c1ccccc1 1458a_100000185807_100012232248 [0,1,1,0,0,0|1,0,1]=4 1124 B14R1.38 CCOCCCC(N)c1ccccc1 34a_100000759318_100000210202 [0,1,1,0,0,0|0,0,0]=2 1125 B14R1.38 CCOCCCN(C)c1ccccc1 2230a_100000210012_100012232248 [0,1,1,0,0,0|2,0,0]=4 1126 B14R1.38 CCOCCCN(C)c1ccccc1 269982a_100000210012_100012232248 [0,1,1,0,0,0|2,0,0]=4 1127 B14R1.38 CCOCCCN(C)c1ccccc1 34a_100000210012_100012232248 [0,1,1,0,0,0|2,0,0]=4 1128 B14R1.38 CCOCCNC(C)c1ccccc1 2230a_102516460346_100000230085 [0,1,1,0,0,0|2,0,0]=4 1129 B14R1.38 CCOCCNC(C)c1ccccc1 269862a_100011200944_100000185851 [0,1,1,0,0,0|2,0,0]=4 1130 B14R1.38 CCOCCNC(C)c1ccccc1 34a_102516460346_100000211855 [0,1,1,0,0,0|2,0,0]=4 1131 B14R1.38 CCOCCN[C@H](C)c1ccccc1 2230a_100000751104_100011215890 [0,1,1,0,0,0|2,0,0]=4 1132 B14R1.38 CCOCCOC(C)c1ccccc1 34a_100000210136_100000211855 [0,1,1,0,0,0|2,0,0]=4 1133 B14R1.38 CCOCCOC(C)c1ccccc1 7a_100000210136_100000230085 [0,1,1,0,0,0|2,0,0]=4 1134 B14R1.38 CCOCCO[C@H](C)c1ccccc1 34a_100000761318_100000210147 [0,1,1,0,0,0|2,0,0]=4 1135 B14R1.38 CCOCCO[C@H](C)c1ccccc1 7a_100000761318_100011215890 [0,1,1,0,0,0|2,0,0]=4 1136 B14R1.38 CCOCCSC(C)c1ccccc1 62a_100000210147_100000230085 [0,1,1,0,0,0|2,0,0]=4 1137 B14R1.38 CCOCCSC(C)c1ccccc1 62a_100000230085_100011215890 [0,1,1,0,0,0|2,0,0]=4 1138 B14R1.38 CCOCSCC(C)c1ccccc1 62a_100000739092_100000756946 [0,1,1,0,0,0|2,0,0]=4 1139 B14R1.38 CCOCSCC(C)c1ccccc1 62a_100000756946_100000739092 [0,1,1,0,0,0|2,0,0]=4 1140 B14R1.38 CCOCSCC(O)c1ccccc1 62a_100000185958_100000739092 [0,1,1,0,0,0|2,0,0]=4 1141 B14R1.38 CCOCSCC(O)c1ccccc1 62a_100000739092_100000185958 [0,1,1,0,0,0|2,0,0]=4 1142 B14R1.38 CCOCSC[C@@H](O)c1ccccc1 62a_100000739092_100011933945 [0,1,1,0,0,0|2,0,0]=4 1143 B14R1.38 CCOCSC[C@@H](O)c1ccccc1 62a_100011933945_100000739092 [0,1,1,0,0,0|2,0,0]=4 1144 B14R1.38 CCSCCCC(=O)c1ccccc1 62a_100000210202_100000211006 [0,1,1,0,0,0|1,0,1]=4 1145 B14R1.38 CCSCCCC(=O)c1ccccc1 62a_100000211006_100000210202 [0,1,1,0,0,0|1,0,1]=4 1146 B14R1.38 CCSCCNC(C)c1ccccc1 2230a_100000106463_100000230085 [0,1,1,0,0,0|2,0,0]=4 1147 B14R1.38 CCSCCNC(C)c1ccccc1 269862a_100000106463_100000185851 [0,1,1,0,0,0|2,0,0]=4 1148 B14R1.38 CCSCCN[C@H](C)c1ccccc1 2230a_100000751104_100000757381 [0,1,1,0,0,0|2,0,0]=4 1149 B14R1.38 CCSCCOC(C)c1ccccc1 34a_100000212035_100000211855 [0,1,1,0,0,0|2,0,0]=4 1150 B14R1.38 CCSCCOC(C)c1ccccc1 7a_100000212035_100000230085 [0,1,1,0,0,0|2,0,0]=4 1151 B14R1.38 CCSCCO[C@H](C)c1ccccc1 34a_100000761318_100000757381 [0,1,1,0,0,0|2,0,0]=4 1152 B14R1.38 CCSCCO[C@H](C)c1ccccc1 7a_100000761318_100000757381 [0,1,1,0,0,0|2,0,0]=4 1153 B14R1.38 CCSCCSC(C)c1ccccc1 62a_100000230085_100000757381 [0,1,1,0,0,0|2,0,0]=4 1154 B14R1.38 CCSCCSC(C)c1ccccc1 62a_100000757381_100000230085 [0,1,1,0,0,0|2,0,0]=4 1155 B14R1.38 CN(CCCCCF)c1ccccc1 2230a_100000210012_100000729378 [0,1,1,0,0,0|2,0,0]=4 1156 B14R1.38 CN(CCCCCF)c1ccccc1 269982a_100000210012_100000729378 [0,1,1,0,0,0|2,0,0]=4 1157 B14R1.38 CN(CCCCCF)c1ccccc1 34a_100000210012_100000729378 [0,1,1,0,0,0|2,0,0]=4 1158 B14R1.38 CN(CCCCCO)c1ccccc1 2230a_100000210012_100000746330 [0,1,1,0,0,0|2,0,0]=4 1159 B14R1.38 CN(CCCCCO)c1ccccc1 269982a_100000210012_100000746330 [0,1,1,0,0,0|2,0,0]=4 1160 B14R1.38 CN(CCCCCO)c1ccccc1 34a_100000210012_100000746330 [0,1,1,0,0,0|2,0,0]=4 1161 B14R1.38 CN(CCCCO[13CH3])c1ccccc1 7a_100011305536_200025704644 [0,1,1,0,0,0|2,0,0]=4 1162 B14R1.38 CNCCCOC(C)c1ccccc1 2230a_100000206020_200000210301 [0,1,1,0,0,0|2,0,0]=4 1163 B14R1.38 CNCCCOC(C)c1ccccc1 34a_100000206020_200000210301 [0,1,1,0,0,0|2,0,0]=4 1164 B14R1.38 CNCCCOC(C)c1ccccc1 34a_100000213112_100000211855 [0,1,1,0,0,0|2,0,0]=4 1165 B14R1.38 COCCCCC(=O)c1ccccc1 1458a_100000185807_100000755781 [0,1,1,0,0,0|1,0,1]=4 1166 B14R1.38 COCCCCN(C)c1ccccc1 2230a_100000210012_100000730899 [0,1,1,0,0,0|2,0,0]=4 1167 B14R1.38 COCCCCN(C)c1ccccc1 269982a_100000210012_100000730899 [0,1,1,0,0,0|2,0,0]=4 1168 B14R1.38 COCCCCN(C)c1ccccc1 34a_100000210012_100000755781 [0,1,1,0,0,0|2,0,0]=4 1169 B14R1.38 COCCCCN(C)c1ccccc1 7a_100011305536_200000210301 [0,1,1,0,0,0|2,0,0]=4 1170 B14R1.38 COCCCNC(C)c1ccccc1 269862a_100150723488_100000185851 [0,1,1,0,0,0|2,0,0]=4 1171 B14R1.38 COCCCNC(C)c1ccccc1 34a_100150723488_100000211855 [0,1,1,0,0,0|2,0,0]=4 1172 B14R1.38 COCCCN[C@H](C)c1ccccc1 2230a_100000751104_100000740836 [0,1,1,0,0,0|2,0,0]=4 1173 B14R1.38 COCCCOC(C)c1ccccc1 34a_100000740835_100000211855 [0,1,1,0,0,0|2,0,0]=4 1174 B14R1.38 COCCCO[C@H](C)c1ccccc1 34a_100000761318_100000740836 [0,1,1,0,0,0|2,0,0]=4 1175 B14R1.38 COCCCO[C@H](C)c1ccccc1 7a_100000761318_100000740836 [0,1,1,0,0,0|2,0,0]=4 1176 B14R1.38 COCCCSC(C)c1ccccc1 62a_100000230085_100000709357 [0,1,1,0,0,0|2,0,0]=4 1177 B14R1.38 COCCCSC(C)c1ccccc1 62a_100000709357_100000230085 [0,1,1,0,0,0|2,0,0]=4 1178 B14R1.38 COCCNCC(C)c1ccccc1 2230a_100000209980_100000756946 [0,1,1,0,0,0|2,0,0]=4 1179 B14R1.38 COCCNCC(C)c1ccccc1 2230a_100000701038_100011201679 [0,1,1,0,0,0|2,0,0]=4 1180 B14R1.38 COCCNCC(C)c1ccccc1 270004a_100000209980_100000212034 [0,1,1,0,0,0|2,0,0]=4 1181 B14R1.38 COCCNCC(C)c1ccccc1 34a_100000701038_100011201679 [0,1,1,0,0,0|2,0,0]=4 1182 B14R1.38 COCCNCC(O)c1ccccc1 2230a_100000209980_100000185958 [0,1,1,0,0,0|2,0,0]=4 1183 B14R1.38 COCCNCC(O)c1ccccc1 2230a_100000210709_100011201679 [0,1,1,0,0,0|2,0,0]=4 1184 B14R1.38 COCCNC[C@@H](O)c1ccccc1 2230a_100000209980_100011933945 [0,1,1,0,0,0|2,0,0]=4 1185 B14R1.38 COCCOCC(C)c1ccccc1 34a_100000210237_100000756946 [0,1,1,0,0,0|2,0,0]=4 1186 B14R1.38 COCCOCC(C)c1ccccc1 34a_100011215166_100011201679 [0,1,1,0,0,0|2,0,0]=4 1187 B14R1.38 COCCOCC(C)c1ccccc1 7a_100011215166_100000233755 [0,1,1,0,0,0|2,0,0]=4 1188 B14R1.38 COCCOCC(O)c1ccccc1 34a_100000210237_100000185958 [0,1,1,0,0,0|2,0,0]=4 1189 B14R1.38 COCCOC[C@@H](N)c1ccccc1 34a_100000751927_100011201679 [0,1,1,0,0,0|1,0,0]=3 1190 B14R1.38 COCCOC[C@@H](N)c1ccncc1 34a_100138412524_100011201679 [0,1,1,0,0,0|2,0,0]=4 1191 B14R1.38 COCCOC[C@@H](O)c1ccccc1 34a_100000210237_100011933945 [0,1,1,0,0,0|2,0,0]=4 1192 B14R1.38 COCCSCC(C)c1ccccc1 62a_100000233755_100000756946 [0,1,1,0,0,0|2,0,0]=4 1193 B14R1.38 COCCSCC(C)c1ccccc1 62a_100000756946_100000233755 [0,1,1,0,0,0|2,0,0]=4 1194 B14R1.38 COCCSCC(O)c1ccccc1 62a_100000185958_100000233755 [0,1,1,0,0,0|2,0,0]=4 1195 B14R1.38 COCCSCC(O)c1ccccc1 62a_100000233755_100000185958 [0,1,1,0,0,0|2,0,0]=4 1196 B14R1.38 COCCSC[C@@H](O)c1ccccc1 62a_100000233755_100011933945 [0,1,1,0,0,0|2,0,0]=4 1197 B14R1.38 COCCSC[C@@H](O)c1ccccc1 62a_100011933945_100000233755 [0,1,1,0,0,0|2,0,0]=4 1198 B14R1.38 COCNCCC(O)c1ccccc1 2230a_100000763605_100000766300 [0,1,1,0,0,0|2,0,0]=4 1199 B14R1.38 COCSCC[C@@H](O)c1ccccc1 62a_100000729684_100000766300 [0,1,1,0,0,0|2,0,0]=4 1200 B14R1.38 COCSCC[C@@H](O)c1ccccc1 62a_100000766300_100000729684 [0,1,1,0,0,0|2,0,0]=4 1201 B14R1.38 CSCCCNC(C)c1ccccc1 2230a_100000749238_100000230085 [0,1,1,0,0,0|2,0,0]=4 1202 B14R1.38 CSCCCNC(C)c1ccccc1 269862a_100000749238_100000185851 [0,1,1,0,0,0|2,0,0]=4 1203 B14R1.38 CSCCCOC(C)c1ccccc1 34a_100000690336_100000211855 [0,1,1,0,0,0|2,0,0]=4 1204 B14R1.38 CSCCCOC(C)c1ccccc1 7a_100000690336_100000230085 [0,1,1,0,0,0|2,0,0]=4 1205 B14R1.38 CSCCNCC(C)c1ccccc1 2230a_100000701038_100000751147 [0,1,1,0,0,0|2,0,0]=4 1206 B14R1.38 CSCCNCC(C)c1ccccc1 2230a_100020590264_100000756946 [0,1,1,0,0,0|2,0,0]=4 1207 B14R1.38 CSCCNCC(C)c1ccccc1 270004a_100020590264_100000212034 [0,1,1,0,0,0|2,0,0]=4 1208 B14R1.38 CSCCNCC(C)c1ccccc1 34a_100000701038_100000212216 [0,1,1,0,0,0|2,0,0]=4 1209 B14R1.38 CSCCNCC(O)c1ccccc1 2230a_100000210709_100000751147 [0,1,1,0,0,0|2,0,0]=4 1210 B14R1.38 CSCCNCC(O)c1ccccc1 2230a_100020590264_100000185958 [0,1,1,0,0,0|2,0,0]=4 1211 B14R1.38 CSCCNC[C@@H](O)c1ccccc1 2230a_100020590264_100011933945 [0,1,1,0,0,0|2,0,0]=4 1212 B14R1.38 CSCCOCC(C)c1ccccc1 34a_100000230434_100000756946 [0,1,1,0,0,0|2,0,0]=4 1213 B14R1.38 CSCCOCC(C)c1ccccc1 34a_100011215166_100000212216 [0,1,1,0,0,0|2,0,0]=4 1214 B14R1.38 CSCCOCC(C)c1ccccc1 7a_100000230434_100000756946 [0,1,1,0,0,0|2,0,0]=4 1215 B14R1.38 CSCCOCC(C)c1ccccc1 7a_100011215166_100000212216 [0,1,1,0,0,0|2,0,0]=4 1216 B14R1.38 CSCCOCC(O)c1ccccc1 34a_100000230434_100000185958 [0,1,1,0,0,0|2,0,0]=4 1217 B14R1.38 CSCCOCC(O)c1ccccc1 7a_100000230434_100000185958 [0,1,1,0,0,0|2,0,0]=4 1218 B14R1.38 CSCCOC[C@@H](N)c1ccccc1 34a_100000751927_100000212216 [0,1,1,0,0,0|1,0,0]=3 1219 B14R1.38 CSCCOC[C@@H](N)c1ccncc1 34a_100138412524_100000212216 [0,1,1,0,0,0|2,0,0]=4 1220 B14R1.38 CSCCOC[C@@H](O)c1ccccc1 34a_100000230434_100011933945 [0,1,1,0,0,0|2,0,0]=4 1221 B14R1.38 CSCCOC[C@@H](O)c1ccccc1 7a_100000230434_100011933945 [0,1,1,0,0,0|2,0,0]=4 1222 B14R1.38 CSCCSCC(C)c1ccccc1 62a_100000212216_100000756946 [0,1,1,0,0,0|2,0,0]=4 1223 B14R1.38 CSCCSCC(C)c1ccccc1 62a_100000756946_100000751147 [0,1,1,0,0,0|2,0,0]=4 1224 B14R1.38 CSCCSCC(O)c1ccccc1 62a_100000185958_100000751147 [0,1,1,0,0,0|2,0,0]=4 1225 B14R1.38 CSCCSCC(O)c1ccccc1 62a_100000212216_100000185958 [0,1,1,0,0,0|2,0,0]=4 1226 B14R1.38 CSCCSC[C@@H](O)c1ccccc1 62a_100000212216_100011933945 [0,1,1,0,0,0|2,0,0]=4 1227 B14R1.38 CSCCSC[C@@H](O)c1ccccc1 62a_100011933945_100000751147 [0,1,1,0,0,0|2,0,0]=4 1228 B14R1.38 CSCNCCC(O)c1ccccc1 2230a_100000763605_100011218213 [0,1,1,0,0,0|2,0,0]=4 1229 B14R1.38 CSCOCC[C@H](N)c1ccccc1 34a_100025705951_100011218213 [0,1,1,0,0,0|1,0,0]=3 1230 B14R1.38 CSCSCC[C@@H](O)c1ccccc1 62a_100000729684_100011218213 [0,1,1,0,0,0|2,0,0]=4 1231 B14R1.38 CSCSCC[C@@H](O)c1ccccc1 62a_100011218213_100000729684 [0,1,1,0,0,0|2,0,0]=4 1232 B14R1.38 C[C@@H](NCCCCF)c1ccccc1 2230a_100000751104_100000729493 [0,1,1,0,0,0|2,0,0]=4 1233 B14R1.38 C[C@@H](NCCCCO)c1ccccc1 2230a_100000751104_100000210776 [0,1,1,0,0,0|2,0,0]=4 1234 B14R1.38 C[C@@H](OCCCCF)c1ccccc1 34a_100000761318_100000729493 [0,1,1,0,0,0|2,0,0]=4 1235 B14R1.38 C[C@@H](OCCCCF)c1ccccc1 7a_100000761318_100000729493 [0,1,1,0,0,0|2,0,0]=4 1236 B14R1.38 C[C@@H](OCCCCO)c1ccccc1 34a_100000761318_100011216708 [0,1,1,0,0,0|2,0,0]=4 1237 B14R1.38 C[C@@H](OCCCCO)c1ccccc1 7a_100000761318_100000210776 [0,1,1,0,0,0|2,0,0]=4 1238 B14R1.38 NC(CCCOCF)c1ccccc1 34a_100000759318_100015361967 [0,1,1,0,0,0|1,0,0]=3 1239 B14R1.38 NCCCOCC(O)c1ccccc1 34a_100000182051_100000185958 [0,1,1,0,0,0|2,0,0]=4 1240 B14R1.38 NCCCOC[C@@H](O)c1ccccc1 34a_100000182051_100011933945 [0,1,1,0,0,0|2,0,0]=4 1241 B14R1.38 NCCOCC[C@@H](O)c1ccccc1 34a_100000210304_100000729684 [0,1,1,0,0,0|2,0,0]=4 1242 B14R1.38 N[C@@H](CCOCC=O)c1ccccc1 34a_100025705951_200009817547 [0,1,1,0,0,0|1,0,1]=4 1243 B14R1.38 N[C@@H](CCOCCF)c1ccccc1 34a_100025705951_100011217306 [0,1,1,0,0,0|1,0,0]=3 1244 B14R1.38 N[C@@H](CCOCCO)c1ccccc1 34a_100025705951_100000211926 [0,1,1,0,0,0|1,0,0]=3 1245 B14R1.38 N[C@H](COCCCF)c1ccccc1 34a_100000751927_100011934791 [0,1,1,0,0,0|1,0,0]=3 1246 B14R1.38 N[C@H](COCCCF)c1ccncc1 34a_100138412524_100011934791 [0,1,1,0,0,0|2,0,0]=4 1247 B14R1.38 N[C@H](COCCCO)c1ccccc1 34a_100000751927_100000230001 [0,1,1,0,0,0|1,0,0]=3 1248 B14R1.38 N[C@H](COCCCO)c1ccncc1 34a_100138412524_100000230001 [0,1,1,0,0,0|2,0,0]=4 1249 B14R1.38 O=C(CCCCCF)c1ccccc1 1458a_100000185807_100000729378 [0,1,1,0,0,0|1,0,1]=4 1250 B14R1.38 O=C(CCCCCO)c1ccccc1 1458a_100000185807_100000746330 [0,1,1,0,0,0|1,0,1]=4 1251 B14R1.38 OC(CCNCCF)c1ccccc1 2230a_100000763605_100011217306 [0,1,1,0,0,0|2,0,0]=4 1252 B14R1.38 OC(CNCCCF)c1ccccc1 2230a_100000210709_100011934791 [0,1,1,0,0,0|2,0,0]=4 1253 B14R1.38 OC(CNCCCF)c1ccccc1 2230a_100015189416_100000185958 [0,1,1,0,0,0|2,0,0]=4 1254 B14R1.38 OC(CNCCCF)c1ccccc1 34a_100015189416_100000185958 [0,1,1,0,0,0|2,0,0]=4 1255 B14R1.38 OC(COCCCBr)c1ccccc1 34a_100011217188_100000185958 [0,1,1,0,0,0|2,0,0]=4 1256 B14R1.38 OC(COCCCCl)c1ccccc1 34a_100000230001_100000185958 [0,1,1,0,0,0|2,0,0]=4 1257 B14R1.38 OC(COCCCF)c1ccccc1 34a_100000759539_100000185958 [0,1,1,0,0,0|2,0,0]=4 1258 B14R1.38 OC(CSCCCF)c1ccccc1 62a_100000185958_100011934791 [0,1,1,0,0,0|2,0,0]=4 1259 B14R1.38 OC(CSCCCF)c1ccccc1 62a_100011934791_100000185958 [0,1,1,0,0,0|2,0,0]=4 1260 B14R1.38 OCCCNCC(O)c1ccccc1 2230a_100000210709_100000230001 [0,1,1,0,0,0|2,0,0]=4 1261 B14R1.38 OCCCSCC(O)c1ccccc1 62a_100000185958_100011215043 [0,1,1,0,0,0|2,0,0]=4 1262 B14R1.38 OCCCSCC(O)c1ccccc1 62a_100011215043_100000185958 [0,1,1,0,0,0|2,0,0]=4 1263 B14R1.38 OCCCSC[C@@H](O)c1ccccc1 62a_100011215043_100011933945 [0,1,1,0,0,0|2,0,0]=4 1264 B14R1.38 OCCCSC[C@@H](O)c1ccccc1 62a_100011933945_100011215043 [0,1,1,0,0,0|2,0,0]=4 1265 B14R1.38 OCCNCCC(O)c1ccccc1 2230a_100000763605_100000211926 [0,1,1,0,0,0|2,0,0]=4 1266 B14R1.38 OCCNCC[C@@H](O)c1ccccc1 2230a_100016997473_100000729684 [0,1,1,0,0,0|2,0,0]=4 1267 B14R1.38 OCCNCC[C@@H](O)c1ccccc1 34a_100016990907_100000729684 [0,1,1,0,0,0|2,0,0]=4 1268 B14R1.38 OCCSCC[C@@H](O)c1ccccc1 62a_100000211926_100000729684 [0,1,1,0,0,0|2,0,0]=4 1269 B14R1.38 OCCSCC[C@@H](O)c1ccccc1 62a_100000729684_100000211926 [0,1,1,0,0,0|2,0,0]=4 1270 B14R1.38 O[C@H](CCNCCF)c1ccccc1 34a_100000724931_100000729684 [0,1,1,0,0,0|2,0,0]=4 1271 B14R1.38 O[C@H](CCOCCBr)c1ccccc1 34a_100000211926_100000729684 [0,1,1,0,0,0|2,0,0]=4 1272 B14R1.38 O[C@H](CCSCCF)c1ccccc1 62a_100000729684_100011217306 [0,1,1,0,0,0|2,0,0]=4 1273 B14R1.38 O[C@H](CCSCCF)c1ccccc1 62a_100011217306_100000729684 [0,1,1,0,0,0|2,0,0]=4 1274 B14R1.38 O[C@H](CNCCCF)c1ccccc1 2230a_100015189416_100011933945 [0,1,1,0,0,0|2,0,0]=4 1275 B14R1.38 O[C@H](CNCCCF)c1ccccc1 34a_100015189416_100011933945 [0,1,1,0,0,0|2,0,0]=4 1276 B14R1.38 O[C@H](COCCCBr)c1ccccc1 34a_100011217188_100011933945 [0,1,1,0,0,0|2,0,0]=4 1277 B14R1.38 O[C@H](COCCCCl)c1ccccc1 34a_100000230001_100011933945 [0,1,1,0,0,0|2,0,0]=4 1278 B14R1.38 O[C@H](COCCCF)c1ccccc1 34a_100000759539_100011933945 [0,1,1,0,0,0|2,0,0]=4 1279 B14R1.38 O[C@H](CSCCCF)c1ccccc1 62a_100011933945_100011934791 [0,1,1,0,0,0|2,0,0]=4 1280 B14R1.38 O[C@H](CSCCCF)c1ccccc1 62a_100011934791_100011933945 [0,1,1,0,0,0|2,0,0]=4 1281 B14R1.46 CCCCNC(C)(C)c1ccccc1 2230a_100000102301_100000034625 [0,1,1,0,0,0|2,0,0]=4 1282 B14R1.46 CCCCNC(C)(C)c1ccccc1 2230a_100011218174_100000210211 [0,1,1,0,0,0|2,0,0]=4 1283 B14R1.46 CCCCNC(F)(F)c1ccccc1 7a_106832991798_100000036403 [0,1,1,0,0,0|2,0,0]=4 1284 B14R1.46 CCCCOC(C)(C)c1ccccc1 7a_100000694644_100000210211 [0,1,1,0,0,0|2,0,0]=4 1285 B14R1.46 CCCCOC(F)(F)c1ccccc1 7a_100000210227_100000036403 [0,1,1,0,0,0|2,0,0]=4 1286 B14R1.46 CCCCSC(C)(C)c1ccccc1 62a_100000034625_100000210210 [0,1,1,0,0,0|2,0,0]=4 1287 B14R1.46 CCCCSC(C)(C)c1ccccc1 62a_100000210211_100000034625 [0,1,1,0,0,0|2,0,0]=4 1288 B14R1.46 CCCCSC(F)(F)c1ccccc1 62a_100000210211_100000036403 [0,1,1,0,0,0|2,0,0]=4 1289 B14R1.46 CCCNCC(C)(C)c1ccccc1 2230a_100011211644_100000210303 [0,1,1,0,0,0|2,0,0]=4 1290 B14R1.46 CCCNCC(C)(O)c1ccccc1 2230a_100011660926_100000210303 [0,1,1,0,0,0|2,0,0]=4 1291 B14R1.46 CCCNCC(F)(F)c1ccccc1 34a_100000717977_100000210303 [0,1,1,0,0,0|2,0,0]=4 1292 B14R1.46 CCCOCC(C)(C)c1ccccc1 7a_100000747608_100000210303 [0,1,1,0,0,0|2,0,0]=4 1293 B14R1.46 CCCOCC(F)(F)c1ccccc1 34a_100000210258_100009875531 [0,1,1,0,0,0|2,0,0]=4 1294 B14R1.46 CCCSCC(C)(C)c1ccccc1 62a_100000210303_100000703224 [0,1,1,0,0,0|2,0,0]=4 1295 B14R1.46 CCCSCC(C)(C)c1ccccc1 62a_100000703224_100000210303 [0,1,1,0,0,0|2,0,0]=4 1296 B14R1.46 CCCSCC(F)(F)c1ccccc1 62a_100000210303_100009875531 [0,1,1,0,0,0|2,0,0]=4 1297 B14R1.46 CCCSCC(F)(F)c1ccccc1 62a_100009875531_100000210303 [0,1,1,0,0,0|2,0,0]=4 1298 B14R1.121 C#CC(OCCCC)c1ccccc1 34a_100011219616_100000210210 [0,1,1,0,0,0|2,0,0]=4 1299 B14R1.121 C#CC(OCCCC)c1ccccc1 7a_100011219616_100000210211 [0,1,1,0,0,0|2,0,0]=4 1300 B14R1.121 C=CC(NCCCC)c1ccccc1 2230a_100000102301_200000085779 [0,1,1,0,0,0|2,0,0]=4 1301 B14R1.121 C=CC(OCCCC)c1ccccc1 34a_100011215659_100000210210 [0,1,1,0,0,0|2,0,0]=4 1302 B14R1.121 C=CC(OCCCC)c1ccccc1 7a_100011215659_100000210211 [0,1,1,0,0,0|2,0,0]=4 1303 B14R1.121 C=CC(SCCCC)c1ccccc1 62a_100000210211_200000085779 [0,1,1,0,0,0|2,0,0]=4 1304 B14R1.121 C=CC(SCCCC)c1ccccc1 62a_200000085779_100000210210 [0,1,1,0,0,0|2,0,0]=4 1305 B14R1.121 CCCCCC(NC)c1ccccc1 269862a_106832991636_100000211787 [0,1,1,0,0,0|0,0,0]=2 1306 B14R1.121 CCCCCC(NC)c1cccnc1 269862a_106832991636_200011709928 [0,1,1,0,0,0|1,0,0]=3 1307 B14R1.121 CCCCCC(OC)c1ccccc1 34a_100000748122_200000210301 [0,1,1,0,0,0|1,0,0]=3 1308 B14R1.121 CCCCCC(OC)c1ccccc1 7a_100000748122_200000210301 [0,1,1,0,0,0|1,0,0]=3 1309 B14R1.121 CCCCCC(O[13CH3])c1ccccc1 34a_100000748122_200025704644 [0,1,1,0,0,0|1,0,0]=3 1310 B14R1.121 CCCCCC(O[13CH3])c1ccccc1 7a_100000748122_200025704644 [0,1,1,0,0,0|1,0,0]=3 1311 B14R1.121 CCCCCN(CC)c1ccccc1 2230a_100000210013_100000210326 [0,1,1,0,0,0|2,0,0]=4 1312 B14R1.121 CCCCCN(CC)c1ccccc1 2230a_200000219563_100000210202 [0,1,1,0,0,0|2,0,0]=4 1313 B14R1.121 CCCCCN(CC)c1ccccc1 269982a_100000210013_100000210215 [0,1,1,0,0,0|2,0,0]=4 1314 B14R1.121 CCCCCN(CC)c1ccccc1 269982a_200000219563_100000204670 [0,1,1,0,0,0|2,0,0]=4 1315 B14R1.121 CCCCCN(CC)c1ccccc1 34a_100000210013_100000718602 [0,1,1,0,0,0|2,0,0]=4 1316 B14R1.121 CCCCCN(CC)c1ccccc1 34a_200000219563_100000210202 [0,1,1,0,0,0|2,0,0]=4 1317 B14R1.121 CCCCCN(CC)c1ccccc1 7a_200000219563_100000210202 [0,1,1,0,0,0|2,0,0]=4 1318 B14R1.121 CCCCCN(CF)c1ccccc1 269982a_200000219563_100015361967 [0,1,1,0,0,0|2,0,0]=4 1319 B14R1.121 CCCCCN(CF)c1ccccc1 34a_200000219563_100015361967 [0,1,1,0,0,0|2,0,0]=4 1320 B14R1.121 CCCCCN(CF)c1ccccc1 7a_200000219563_100015361967 [0,1,1,0,0,0|2,0,0]=4 1321 B14R1.121 CCCCNC(CC)c1ccccc1 2230a_100000737752_100000210211 [0,1,1,0,0,0|2,0,0]=4 1322 B14R1.121 CCCCNC(CC)c1ccccc1 269862a_100000102301_100000210124 [0,1,1,0,0,0|2,0,0]=4 1323 B14R1.121 CCCCN[C@H](CO)c1ccccc1 2230a_100000751927_100000210211 [0,1,1,0,0,0|2,0,0]=4 1324 B14R1.121 CCCCN[C@H](CO)c1ccccc1 34a_100000751927_100000210210 [0,1,1,0,0,0|2,0,0]=4 1325 B14R1.121 CCCCOC(C#N)c1ccccc1 7a_100011217353_100000210211 [0,1,1,0,0,0|1,0,1]=4 1326 B14R1.121 CCCCOC(CBr)c1ccccc1 7a_100000185958_100000210211 [0,1,1,0,0,0|2,0,0]=4 1327 B14R1.121 CCCCOC(CC)c1ccccc1 34a_100000698172_100000210210 [0,1,1,0,0,0|2,0,0]=4 1328 B14R1.121 CCCCOC(CC)c1ccccc1 7a_100000698172_100000210211 [0,1,1,0,0,0|2,0,0]=4 1329 B14R1.121 CCCCOC(CN)c1ccccc1 34a_100000210709_100000210210 [0,1,1,0,0,0|1,0,0]=3 1330 B14R1.121 CCCCO[C@H](CCl)c1ccccc1 34a_100011933945_100000210210 [0,1,1,0,0,0|2,0,0]=4 1331 B14R1.121 CCCCO[C@H](CCl)c1ccccc1 7a_100011933945_100000210211 [0,1,1,0,0,0|2,0,0]=4 1332 B14R1.121 CCCNCC(CC)c1ccccc1 270004a_100020643023_100000753018 [0,1,1,0,0,0|2,0,0]=4 1333 B14R1.121 CCCOCC(CC)c1ccccc1 34a_100000752371_100000210303 [0,1,1,0,0,0|2,0,0]=4 1334 B14R1.121 CCCOCC(CC)c1ccccc1 7a_100000752371_100000210303 [0,1,1,0,0,0|2,0,0]=4 1335 B14R1.121 CCCOCC(OC)c1ccccc1 34a_100011215540_100000210303 [0,1,1,0,0,0|2,0,0]=4 1336 B14R1.121 CCCOCC(OC)c1ccccc1 7a_100011215540_100000210303 [0,1,1,0,0,0|2,0,0]=4 1337 B14R1.121 CNCCCC(NC)c1cccnc1 269862a_106832991636_100020654510 [0,1,1,0,0,0|2,0,0]=4 1338 B14R1.121 COCCOC(CN)c1ccccc1 34a_100000210709_100011201679 [0,1,1,0,0,0|2,0,0]=4 1339 B14R1.121 CSCCOC(CN)c1ccccc1 34a_100000210709_100000212216 [0,1,1,0,0,0|2,0,0]=4 1340 B14R1.121 NCC(OCCCF)c1ccccc1 34a_100000210709_100011934791 [0,1,1,0,0,0|2,0,0]=4 1341 B14R1.121 NCC(OCCCO)c1ccccc1 34a_100000210709_100000230001 [0,1,1,0,0,0|2,0,0]=4 1342 B14R1.163 CC(CO)OC[C@@H](N)c1ccccc1 34a_100000751927_100012180447 [0,1,1,0,0,0|2,0,0]=4 1343 B14R1.163 CCC(=O)CC[C@@H](O)c1ccccc1 1458a_100000210414_100000729684 [0,1,1,0,0,0|1,0,1]=4 1344 B14R1.163 CCC(C)CNC(C)c1ccccc1 2230a_100020588543_100000230085 [0,1,1,0,0,0|2,0,0]=4 1345 B14R1.163 CCC(C)CNC(C)c1ccccc1 269862a_100020588543_100000185851 [0,1,1,0,0,0|2,0,0]=4 1346 B14R1.163 CCC(C)CN[C@H](C)c1ccccc1 2230a_100000751104_100000748023 [0,1,1,0,0,0|2,0,0]=4 1347 B14R1.163 CCC(C)CN[C@H](C)c1ccccc1 270004a_100000751104_100000243153 [0,1,1,0,0,0|2,0,0]=4 1348 B14R1.163 CCC(C)CO[C@H](C)c1ccccc1 34a_100000761318_100000748023 [0,1,1,0,0,0|2,0,0]=4 1349 B14R1.163 CCC(C)CO[C@H](C)c1ccccc1 7a_100000761318_100000748023 [0,1,1,0,0,0|2,0,0]=4 1350 B14R1.163 CCC(C)CSC(C)c1ccccc1 62a_100000230085_100000748023 [0,1,1,0,0,0|2,0,0]=4 1351 B14R1.163 CCC(C)CSC(C)c1ccccc1 62a_100000748023_100000230085 [0,1,1,0,0,0|2,0,0]=4 1352 B14R1.163 CCC(C)NCC(C)c1ccccc1 2230a_100000209981_100000756946 [0,1,1,0,0,0|2,0,0]=4 1353 B14R1.163 CCC(C)NCC(C)c1ccccc1 2230a_100000701038_100000758301 [0,1,1,0,0,0|2,0,0]=4 1354 B14R1.163 CCC(C)NCC(C)c1ccccc1 270004a_100000209981_100000212034 [0,1,1,0,0,0|2,0,0]=4 1355 B14R1.163 CCC(C)NCC(C)c1ccccc1 34a_100000701038_100011215416 [0,1,1,0,0,0|2,0,0]=4 1356 B14R1.163 CCC(C)NCC(O)c1ccccc1 2230a_100000209981_100000185958 [0,1,1,0,0,0|2,0,0]=4 1357 B14R1.163 CCC(C)NCC(O)c1ccccc1 2230a_100000210709_100000758301 [0,1,1,0,0,0|2,0,0]=4 1358 B14R1.163 CCC(C)NC[C@@H](O)c1ccccc1 2230a_100000209981_100011933945 [0,1,1,0,0,0|2,0,0]=4 1359 B14R1.163 CCC(C)OCC(C)c1ccccc1 34a_100011215166_100011215416 [0,1,1,0,0,0|2,0,0]=4 1360 B14R1.163 CCC(C)OCC(C)c1ccccc1 7a_100000210228_100000756946 [0,1,1,0,0,0|2,0,0]=4 1361 B14R1.163 CCC(C)OCC(C)c1ccccc1 7a_100011215166_100000758301 [0,1,1,0,0,0|2,0,0]=4 1362 B14R1.163 CCC(C)OCC(O)c1ccccc1 7a_100000210228_100000185958 [0,1,1,0,0,0|2,0,0]=4 1363 B14R1.163 CCC(C)OC[C@@H](N)c1ccccc1 34a_100000751927_100011215416 [0,1,1,0,0,0|1,0,0]=3 1364 B14R1.163 CCC(C)OC[C@@H](N)c1ccncc1 34a_100138412524_100011215416 [0,1,1,0,0,0|2,0,0]=4 1365 B14R1.163 CCC(C)OC[C@@H](O)c1ccccc1 7a_100000210228_100011933945 [0,1,1,0,0,0|2,0,0]=4 1366 B14R1.163 CCC(C)SCC(C)c1ccccc1 62a_100000756946_100000758301 [0,1,1,0,0,0|2,0,0]=4 1367 B14R1.163 CCC(C)SCC(C)c1ccccc1 62a_100000758301_100000756946 [0,1,1,0,0,0|2,0,0]=4 1368 B14R1.163 CCC(C)SCC(O)c1ccccc1 62a_100000185958_100000758301 [0,1,1,0,0,0|2,0,0]=4 1369 B14R1.163 CCC(C)SCC(O)c1ccccc1 62a_100000758301_100000185958 [0,1,1,0,0,0|2,0,0]=4 1370 B14R1.163 CCC(C)SC[C@@H](O)c1ccccc1 62a_100000758301_100011933945 [0,1,1,0,0,0|2,0,0]=4 1371 B14R1.163 CCC(C)SC[C@@H](O)c1ccccc1 62a_100011933945_100000758301 [0,1,1,0,0,0|2,0,0]=4 1372 B14R1.163 CCC(O)CNC(C)c1ccccc1 2230a_100011218483_100000230085 [0,1,1,0,0,0|2,0,0]=4 1373 B14R1.163 CCC(O)CNC(C)c1ccccc1 269862a_100011218483_100000185851 [0,1,1,0,0,0|2,0,0]=4 1374 B14R1.163 CCC(O)CN[C@H](C)c1ccccc1 2230a_100000751104_100011218378 [0,1,1,0,0,0|2,0,0]=4 1375 B14R1.163 CCC(O)CO[C@H](C)c1ccccc1 34a_100000761318_100011218378 [0,1,1,0,0,0|2,0,0]=4 1376 B14R1.163 CCC(O)CO[C@H](C)c1ccccc1 7a_100000761318_100011218378 [0,1,1,0,0,0|2,0,0]=4 1377 B14R1.163 CCC(O)CSC(C)c1ccccc1 62a_100000230085_100011218378 [0,1,1,0,0,0|2,0,0]=4 1378 B14R1.163 CCC(O)CSC(C)c1ccccc1 62a_100011218378_100000230085 [0,1,1,0,0,0|2,0,0]=4 1379 B14R1.163 CCN(C)CCC(O)c1ccccc1 2230a_100011218556_100000210202 [0,1,1,0,0,0|2,0,0]=4 1380 B14R1.163 CCN(C)CCC(O)c1ccccc1 269982a_100011218556_100000204670 [0,1,1,0,0,0|2,0,0]=4 1381 B14R1.163 CCN(C)CC[C@@H](O)c1ccccc1 2230a_100000225621_100000729684 [0,1,1,0,0,0|2,0,0]=4 1382 B14R1.163 CCN(C)CC[C@@H](O)c1ccccc1 269982a_100000225621_100000729684 [0,1,1,0,0,0|2,0,0]=4 1383 B14R1.163 CC[C@H](C)CN[C@H](C)c1ccccc1 2230a_100000751104_100009816398 [0,1,1,0,0,0|2,0,0]=4 1384 B14R1.163 CC[C@H](C)COC(C)c1ccccc1 7a_100009816381_100000230085 [0,1,1,0,0,0|2,0,0]=4 1385 B14R1.163 CC[C@H](C)CO[C@H](C)c1ccccc1 34a_100000761318_100009816398 [0,1,1,0,0,0|2,0,0]=4 1386 B14R1.163 CC[C@H](C)CO[C@H](C)c1ccccc1 7a_100000761318_100009816398 [0,1,1,0,0,0|2,0,0]=4 1387 B14R1.163 CC[C@H](C)CSC(C)c1ccccc1 62a_100000230085_100009816398 [0,1,1,0,0,0|2,0,0]=4 1388 B14R1.163 CC[C@H](C)CSC(C)c1ccccc1 62a_100009816398_100000230085 [0,1,1,0,0,0|2,0,0]=4 1389 B14R1.166 CCCCC(=O)C(C)c1ccccc1 1458a_100000210183_100000230085 [0,1,1,0,0,0|1,0,1]=4 1390 B14R1.166 CCCCC(=O)C(F)c1ccccc1 1458a_100000698975_100000210211 [0,1,1,0,0,0|1,0,1]=4 1391 B14R1.166 CCCCC(=O)[C@@H](C)c1ccccc1 1458a_100000751047_100000210211 [0,1,1,0,0,0|1,0,1]=4 1392 B14R1.166 CCCCC(=O)[C@H](O)c1ccccc1 1458a_100000684486_100000210211 [0,1,1,0,0,0|1,0,1]=4 1393 B14R1.166 CCCCC(C)C(=O)c1ccccc1 1458a_100000185807_200011215066 [0,1,1,0,0,0|1,0,1]=4 1394 B14R1.166 CCCCC(C)N(C)c1ccccc1 2230a_100000210012_200011215066 [0,1,1,0,0,0|2,0,0]=4 1395 B14R1.166 CCCCC(C)N(C)c1ccccc1 269982a_100000210012_200011215066 [0,1,1,0,0,0|2,0,0]=4 1396 B14R1.166 CCCCC(C)N(C)c1ccccc1 34a_100000210012_200011215066 [0,1,1,0,0,0|2,0,0]=4 1397 B14R1.166 CCCCN(C)C(C)c1ccccc1 2230a_100000195388_100000210211 [0,1,1,0,0,0|2,0,0]=4 1398 B14R1.166 CCCCN(C)C(C)c1ccccc1 2230a_100000207549_100000230085 [0,1,1,0,0,0|2,0,0]=4 1399 B14R1.166 CCCCN(C)C(C)c1ccccc1 269982a_100000195388_100000210211 [0,1,1,0,0,0|2,0,0]=4 1400 B14R1.166 CCCCN(C)C(C)c1ccccc1 269982a_100000207549_100000230085 [0,1,1,0,0,0|2,0,0]=4 1401 B14R1.166 CCCO[C@@H](C)[C@@H](N)c1ccccc1 34a_100134616770_100000210303 [0,1,1,0,0,0|1,0,0]=3 1402 B14R1.166 CSCO[C@@H](C)[C@@H](N)c1ccccc1 34a_100134616770_100011218213 [0,1,1,0,0,0|2,0,0]=4 1403 B14R1.166 C[C@H](OCCF)[C@@H](N)c1ccccc1 34a_100134616770_100011217306 [0,1,1,0,0,0|2,0,0]=4 1404 B14R1.166 C[C@H](OCCO)[C@@H](N)c1ccccc1 34a_100134616770_100000211926 [0,1,1,0,0,0|2,0,0]=4 1405 B14R1.420 C=C(C)COC[C@@H](N)c1ccccc1 34a_100000751927_100000748629 [0,1,1,0,0,0|1,0,1]=4 1406 B14R1.420 CC(Br)CCOC(C)c1ccccc1 34a_100009893172_100000211855 [0,1,1,0,0,0|2,0,0]=4 1407 B14R1.420 CC(Br)COCC(C)c1ccccc1 34a_100012180447_100000756946 [0,1,1,0,0,0|2,0,0]=4 1408 B14R1.420 CC(Br)COCC(O)c1ccccc1 34a_100012180447_100000185958 [0,1,1,0,0,0|2,0,0]=4 1409 B14R1.420 CC(Br)COC[C@@H](O)c1ccccc1 34a_100012180447_100011933945 [0,1,1,0,0,0|2,0,0]=4 1410 B14R1.420 CC(C)CCCC(=O)c1ccccc1 1458a_100000185807_100011214892 [0,1,1,0,0,0|1,0,1]=4 1411 B14R1.420 CC(C)CCCN(C)c1ccccc1 2230a_100000210012_100011214892 [0,1,1,0,0,0|2,0,0]=4 1412 B14R1.420 CC(C)CCCN(C)c1ccccc1 269982a_100000210012_100011214892 [0,1,1,0,0,0|2,0,0]=4 1413 B14R1.420 CC(C)CCCN(C)c1ccccc1 34a_100000210012_100011214892 [0,1,1,0,0,0|2,0,0]=4 1414 B14R1.420 CC(C)CCNC(C)c1ccccc1 269862a_100000210545_100000185851 [0,1,1,0,0,0|2,0,0]=4 1415 B14R1.420 CC(C)CCN[C@H](C)c1ccccc1 2230a_100000751104_100000210312 [0,1,1,0,0,0|2,0,0]=4 1416 B14R1.420 CC(C)CCN[C@H](C)c1ccccc1 269862a_100000751104_100000185833 [0,1,1,0,0,0|2,0,0]=4 1417 B14R1.420 CC(C)CCOC(C)c1ccccc1 34a_100000210254_100000211855 [0,1,1,0,0,0|2,0,0]=4 1418 B14R1.420 CC(C)CCOC(C)c1ccccc1 7a_100000210254_100000230085 [0,1,1,0,0,0|2,0,0]=4 1419 B14R1.420 CC(C)CCO[C@H](C)c1ccccc1 34a_100000761318_100000210312 [0,1,1,0,0,0|2,0,0]=4 1420 B14R1.420 CC(C)CCO[C@H](C)c1ccccc1 7a_100000761318_100000210626 [0,1,1,0,0,0|2,0,0]=4 1421 B14R1.420 CC(C)CCSC(C)c1ccccc1 62a_100000210312_100000230085 [0,1,1,0,0,0|2,0,0]=4 1422 B14R1.420 CC(C)CCSC(C)c1ccccc1 62a_100000230085_100000210312 [0,1,1,0,0,0|2,0,0]=4 1423 B14R1.420 CC(C)CNCC(C)c1ccccc1 2230a_100000210953_100000756946 [0,1,1,0,0,0|2,0,0]=4 1424 B14R1.420 CC(C)CNCC(C)c1ccccc1 2230a_100000701038_100000210760 [0,1,1,0,0,0|2,0,0]=4 1425 B14R1.420 CC(C)CNCC(C)c1ccccc1 270004a_100000210953_100000212034 [0,1,1,0,0,0|2,0,0]=4 1426 B14R1.420 CC(C)CNCC(C)c1ccccc1 270004a_100000701038_100000210432 [0,1,1,0,0,0|2,0,0]=4 1427 B14R1.420 CC(C)CNCC(C)c1ccccc1 34a_100000210953_100000756946 [0,1,1,0,0,0|2,0,0]=4 1428 B14R1.420 CC(C)CNCC(C)c1ccccc1 34a_100000701038_100000210624 [0,1,1,0,0,0|2,0,0]=4 1429 B14R1.420 CC(C)CNCC(O)c1ccccc1 2230a_100000210709_100000210760 [0,1,1,0,0,0|2,0,0]=4 1430 B14R1.420 CC(C)CNCC(O)c1ccccc1 2230a_100000210953_100000185958 [0,1,1,0,0,0|2,0,0]=4 1431 B14R1.420 CC(C)CNCC(O)c1ccccc1 270004a_100000210709_100000210432 [0,1,1,0,0,0|2,0,0]=4 1432 B14R1.420 CC(C)CNCC(O)c1ccccc1 34a_100000210953_100000185958 [0,1,1,0,0,0|2,0,0]=4 1433 B14R1.420 CC(C)CNC[C@@H](O)c1ccccc1 2230a_100000210953_100011933945 [0,1,1,0,0,0|2,0,0]=4 1434 B14R1.420 CC(C)CNC[C@@H](O)c1ccccc1 34a_100000210953_100011933945 [0,1,1,0,0,0|2,0,0]=4 1435 B14R1.420 CC(C)COCC(C)c1ccccc1 34a_100000210257_100000756946 [0,1,1,0,0,0|2,0,0]=4 1436 B14R1.420 CC(C)COCC(C)c1ccccc1 34a_100011215166_100000210624 [0,1,1,0,0,0|2,0,0]=4 1437 B14R1.420 CC(C)COCC(C)c1ccccc1 7a_100011215166_100000210760 [0,1,1,0,0,0|2,0,0]=4 1438 B14R1.420 CC(C)COCC(O)c1ccccc1 34a_100000210257_100000185958 [0,1,1,0,0,0|2,0,0]=4 1439 B14R1.420 CC(C)COC[C@@H](N)c1ccccc1 34a_100000751927_100000210624 [0,1,1,0,0,0|1,0,0]=3 1440 B14R1.420 CC(C)COC[C@@H](N)c1ccncc1 34a_100138412524_100000210624 [0,1,1,0,0,0|2,0,0]=4 1441 B14R1.420 CC(C)COC[C@@H](O)c1ccccc1 34a_100000210257_100011933945 [0,1,1,0,0,0|2,0,0]=4 1442 B14R1.420 CC(C)CSCC(C)c1ccccc1 62a_100000210624_100000756946 [0,1,1,0,0,0|2,0,0]=4 1443 B14R1.420 CC(C)CSCC(C)c1ccccc1 62a_100000756946_100000210760 [0,1,1,0,0,0|2,0,0]=4 1444 B14R1.420 CC(C)CSCC(O)c1ccccc1 62a_100000185958_100000210760 [0,1,1,0,0,0|2,0,0]=4 1445 B14R1.420 CC(C)CSCC(O)c1ccccc1 62a_100000210624_100000185958 [0,1,1,0,0,0|2,0,0]=4 1446 B14R1.420 CC(C)CSC[C@@H](O)c1ccccc1 62a_100000210624_100011933945 [0,1,1,0,0,0|2,0,0]=4 1447 B14R1.420 CC(C)CSC[C@@H](O)c1ccccc1 62a_100011933945_100000210760 [0,1,1,0,0,0|2,0,0]=4 1448 B14R1.420 CC(C)NCCC(O)c1ccccc1 2230a_100000763605_100000210206 [0,1,1,0,0,0|2,0,0]=4 1449 B14R1.420 CC(C)NCC[C@@H](O)c1ccccc1 2230a_100138425928_100000729684 [0,1,1,0,0,0|2,0,0]=4 1450 B14R1.420 CC(C)NCC[C@@H](O)c1ccccc1 34a_100138425928_100000729684 [0,1,1,0,0,0|2,0,0]=4 1451 B14R1.420 CC(C)OCC[C@@H](O)c1ccccc1 34a_100000212225_100000729684 [0,1,1,0,0,0|2,0,0]=4 1452 B14R1.420 CC(C)OCC[C@H](N)c1ccccc1 34a_100025705951_100000210206 [0,1,1,0,0,0|1,0,0]=3 1453 B14R1.420 CC(C)SCC[C@@H](O)c1ccccc1 62a_100000210206_100000729684 [0,1,1,0,0,0|2,0,0]=4 1454 B14R1.420 CC(C)SCC[C@@H](O)c1ccccc1 62a_100000729684_100000210206 [0,1,1,0,0,0|2,0,0]=4 1455 B14R1.420 CC(CNC[C@@H](C)O)c1ccccc1 2230a_100000701038_100009817552 [0,1,1,0,0,0|2,0,0]=4 1456 B14R1.420 CC(CNC[C@@H](C)O)c1ccccc1 34a_100000701038_100009817552 [0,1,1,0,0,0|2,0,0]=4 1457 B14R1.420 CC(COC[C@@H](C)Cl)c1ccccc1 34a_100016084084_100000756946 [0,1,1,0,0,0|2,0,0]=4 1458 B14R1.420 CC(COC[C@@H](C)N)c1ccccc1 34a_100000737577_100000756946 [0,1,1,0,0,0|2,0,0]=4 1459 B14R1.420 CC(COC[C@@H](C)O)c1ccccc1 34a_100011215166_100009817552 [0,1,1,0,0,0|2,0,0]=4 1460 B14R1.420 CC(COC[C@@H](C)O)c1ccccc1 7a_100011215166_100009817552 [0,1,1,0,0,0|2,0,0]=4 1461 B14R1.420 CC(CSC[C@@H](C)O)c1ccccc1 62a_100000756946_100009817552 [0,1,1,0,0,0|2,0,0]=4 1462 B14R1.420 CC(CSC[C@@H](C)O)c1ccccc1 62a_100009817552_100000756946 [0,1,1,0,0,0|2,0,0]=4 1463 B14R1.420 CC(F)COCC(C)c1ccccc1 34a_100015925927_100000756946 [0,1,1,0,0,0|2,0,0]=4 1464 B14R1.420 CC(F)COCC(O)c1ccccc1 34a_100015925927_100000185958 [0,1,1,0,0,0|2,0,0]=4 1465 B14R1.420 CC(F)COC[C@@H](O)c1ccccc1 34a_100015925927_100011933945 [0,1,1,0,0,0|2,0,0]=4 1466 B14R1.420 CC(O)CCCC(=O)c1ccccc1 1458a_100000185807_200000718107 [0,1,1,0,0,0|1,0,1]=4 1467 B14R1.420 CC(O)CCCN(C)c1ccccc1 2230a_100000210012_200000718107 [0,1,1,0,0,0|2,0,0]=4 1468 B14R1.420 CC(O)CCCN(C)c1ccccc1 269982a_100000210012_200000718107 [0,1,1,0,0,0|2,0,0]=4 1469 B14R1.420 CC(O)CCCN(C)c1ccccc1 34a_100000210012_200000718107 [0,1,1,0,0,0|2,0,0]=4 1470 B14R1.420 CC(O)CCNC(C)c1ccccc1 2230a_200000755665_100000230085 [0,1,1,0,0,0|2,0,0]=4 1471 B14R1.420 CC(O)CCNC(C)c1ccccc1 269862a_200000755665_100000185851 [0,1,1,0,0,0|2,0,0]=4 1472 B14R1.420 CC(O)CCN[C@H](C)c1ccccc1 2230a_100000751104_100012276601 [0,1,1,0,0,0|2,0,0]=4 1473 B14R1.420 CC(O)CCO[C@H](C)c1ccccc1 34a_100000761318_100012276601 [0,1,1,0,0,0|2,0,0]=4 1474 B14R1.420 CC(O)CCO[C@H](C)c1ccccc1 7a_100000761318_100012276601 [0,1,1,0,0,0|2,0,0]=4 1475 B14R1.420 CC(O)CCSC(C)c1ccccc1 62a_100000230085_100012276601 [0,1,1,0,0,0|2,0,0]=4 1476 B14R1.420 CC(O)CCSC(C)c1ccccc1 62a_100012276601_100000230085 [0,1,1,0,0,0|2,0,0]=4 1477 B14R1.420 CC(O)CNCC(C)c1ccccc1 2230a_100000210904_100000756946 [0,1,1,0,0,0|2,0,0]=4 1478 B14R1.420 CC(O)CNCC(C)c1ccccc1 2230a_100000701038_100011218427 [0,1,1,0,0,0|2,0,0]=4 1479 B14R1.420 CC(O)CNCC(C)c1ccccc1 270004a_100000210904_100000212034 [0,1,1,0,0,0|2,0,0]=4 1480 B14R1.420 CC(O)CNCC(C)c1ccccc1 34a_100000210904_100000756946 [0,1,1,0,0,0|2,0,0]=4 1481 B14R1.420 CC(O)CNCC(C)c1ccccc1 34a_100000701038_100011218427 [0,1,1,0,0,0|2,0,0]=4 1482 B14R1.420 CC(O)CNCC(O)c1ccccc1 2230a_100000210709_100011218427 [0,1,1,0,0,0|2,0,0]=4 1483 B14R1.420 CC(O)CNCC(O)c1ccccc1 2230a_100000210904_100000185958 [0,1,1,0,0,0|2,0,0]=4 1484 B14R1.420 CC(O)CNCC(O)c1ccccc1 34a_100000210904_100000185958 [0,1,1,0,0,0|2,0,0]=4 1485 B14R1.420 CC(O)CNC[C@@H](O)c1ccccc1 2230a_100000210904_100011933945 [0,1,1,0,0,0|2,0,0]=4 1486 B14R1.420 CC(O)CNC[C@@H](O)c1ccccc1 34a_100000210904_100011933945 [0,1,1,0,0,0|2,0,0]=4 1487 B14R1.420 CC(O)COCC(C)c1ccccc1 34a_100011215166_100011218427 [0,1,1,0,0,0|2,0,0]=4 1488 B14R1.420 CC(O)COCC(C)c1ccccc1 7a_100011215166_100011218427 [0,1,1,0,0,0|2,0,0]=4 1489 B14R1.420 CC(O)COC[C@@H](N)c1ccccc1 34a_100000751927_100011218427 [0,1,1,0,0,0|1,0,0]=3 1490 B14R1.420 CC(O)COC[C@@H](N)c1ccncc1 34a_100138412524_100011218427 [0,1,1,0,0,0|2,0,0]=4 1491 B14R1.420 CC(O)CSCC(C)c1ccccc1 62a_100000756946_100011218427 [0,1,1,0,0,0|2,0,0]=4 1492 B14R1.420 CC(O)CSCC(C)c1ccccc1 62a_100011218427_100000756946 [0,1,1,0,0,0|2,0,0]=4 1493 B14R1.420 CC(O)CSCC(O)c1ccccc1 62a_100000185958_100011218427 [0,1,1,0,0,0|2,0,0]=4 1494 B14R1.420 CC(O)CSCC(O)c1ccccc1 62a_100011218427_100000185958 [0,1,1,0,0,0|2,0,0]=4 1495 B14R1.420 CC(O)CSC[C@@H](O)c1ccccc1 62a_100011218427_100011933945 [0,1,1,0,0,0|2,0,0]=4 1496 B14R1.420 CC(O)CSC[C@@H](O)c1ccccc1 62a_100011933945_100011218427 [0,1,1,0,0,0|2,0,0]=4 1497 B14R1.420 CC(OCC[C@@H](C)N)c1ccccc1 34a_100000706166_100000211855 [0,1,1,0,0,0|2,0,0]=4 1498 B14R1.420 C[C@@H](Cl)COCC(O)c1ccccc1 34a_100016084084_100000185958 [0,1,1,0,0,0|2,0,0]=4 1499 B14R1.420 C[C@@H](Cl)COC[C@@H](O)c1ccccc1 34a_100016084084_100011933945 [0,1,1,0,0,0|2,0,0]=4 1500 B14R1.420 C[C@@H](N)COCC(O)c1ccccc1 34a_100000737577_100000185958 [0,1,1,0,0,0|2,0,0]=4 1501 B14R1.420 C[C@@H](N)COC[C@@H](O)c1ccccc1 34a_100000737577_100011933945 [0,1,1,0,0,0|2,0,0]=4 1502 B14R1.420 C[C@@H](O)CNCC(O)c1ccccc1 2230a_100000210709_100009817552 [0,1,1,0,0,0|2,0,0]=4 1503 B14R1.420 C[C@@H](O)COC[C@@H](N)c1ccccc1 34a_100000751927_100009817552 [0,1,1,0,0,0|1,0,0]=3 1504 B14R1.420 C[C@@H](O)COC[C@@H](N)c1ccncc1 34a_100138412524_100009817552 [0,1,1,0,0,0|2,0,0]=4 1505 B14R1.420 C[C@@H](O)CSCC(O)c1ccccc1 62a_100000185958_100009817552 [0,1,1,0,0,0|2,0,0]=4 1506 B14R1.420 C[C@@H](O)CSCC(O)c1ccccc1 62a_100009817552_100000185958 [0,1,1,0,0,0|2,0,0]=4 1507 B14R1.420 C[C@@H](O)CSC[C@@H](O)c1ccccc1 62a_100009817552_100011933945 [0,1,1,0,0,0|2,0,0]=4 1508 B14R1.420 C[C@@H](O)CSC[C@@H](O)c1ccccc1 62a_100011933945_100009817552 [0,1,1,0,0,0|2,0,0]=4 1509 B14R1.420 N[C@H](COCC(F)F)c1ccccc1 34a_100000751927_100011934356 [0,1,1,0,0,0|2,0,0]=4 1510 B14R1.1035 CCCCCC(=O)c1ccccc1Br 1458a_100000188424_100000210326 [0,1,1,0,0,0|1,0,1]=4 1511 B14R1.1035 CCCCCC(=O)c1ccccc1C 1458a_100000212026_100000210326 [0,1,1,0,0,0|1,0,1]=4 1512 B14R1.1035 CCCCCC(=O)c1ccccc1Cl 1458a_100000185844_100000210326 [0,1,1,0,0,0|1,0,1]=4 1513 B14R1.1035 CCCCCC(=O)c1ccccc1F 1458a_100000188656_100000210326 [0,1,1,0,0,0|1,0,1]=4 1514 B14R1.1035 CCCCCC(=O)c1ccccc1I 1458a_100000187884_100000210326 [0,1,1,0,0,0|1,0,1]=4 1515 B14R1.1035 CCCCCC(=O)c1ccccc1O 1458a_100015234032_100000210326 [0,1,1,0,0,0|1,0,1]=4 1516 B14R1.1035 CCCCCC(=O)c1ccccc1[O-] 1458a_100009911694_100000210326 [0,1,1,0,0,0|1,0,1]=4 1517 B14R1.1035 CCCCCN(C)c1ccccc1Br 2230a_100020606079_100000210326 [0,1,1,0,0,0|2,0,0]=4 1518 B14R1.1035 CCCCCN(C)c1ccccc1Br 269982a_100020606079_100000210215 [0,1,1,0,0,0|2,0,0]=4 1519 B14R1.1035 CCCCCN(C)c1ccccc1Br 34a_100020606079_100000718602 [0,1,1,0,0,0|2,0,0]=4 1520 B14R1.1035 CCCCCN(C)c1ccccc1C 2230a_100000219699_100000210326 [0,1,1,0,0,0|2,0,0]=4 1521 B14R1.1035 CCCCCN(C)c1ccccc1C 269982a_100000219699_100000210215 [0,1,1,0,0,0|2,0,0]=4 1522 B14R1.1035 CCCCCN(C)c1ccccc1C 34a_100000219699_100000718602 [0,1,1,0,0,0|2,0,0]=4 1523 B14R1.1035 CCCCCN(C)c1ccccc1Cl 2230a_100000219374_100000210326 [0,1,1,0,0,0|2,0,0]=4 1524 B14R1.1035 CCCCCN(C)c1ccccc1Cl 269982a_100000219374_100000210215 [0,1,1,0,0,0|2,0,0]=4 1525 B14R1.1035 CCCCCN(C)c1ccccc1Cl 34a_100000219374_100000718602 [0,1,1,0,0,0|2,0,0]=4 1526 B14R1.1035 CCCCCN(C)c1ccccc1F 2230a_100000220357_100000210326 [0,1,1,0,0,0|2,0,0]=4 1527 B14R1.1035 CCCCCN(C)c1ccccc1F 269982a_100000220357_100000210215 [0,1,1,0,0,0|2,0,0]=4 1528 B14R1.1035 CCCCCN(C)c1ccccc1F 34a_100000220357_100000718602 [0,1,1,0,0,0|2,0,0]=4 1529 B14R1.1035 CCCCCN(C)c1ccccc1F 38a_100000220357_100000210215 [0,1,1,0,0,0|2,0,0]=4 1530 B14R1.1035 CCCCCN(C)c1ccccc1O 269982a_100000033821_100000210215 [0,1,1,0,0,0|2,0,0]=4 1531 B14R1.1035 CCCCNC(C)c1ccccc1Br 2230a_100000181357_100000210211 [0,1,1,0,0,0|2,0,0]=4 1532 B14R1.1035 CCCCNC(C)c1ccccc1Br 269862a_100000102301_100000187085 [0,1,1,0,0,0|2,0,0]=4 1533 B14R1.1035 CCCCNC(C)c1ccccc1C 2230a_100000181355_100000210211 [0,1,1,0,0,0|2,0,0]=4 1534 B14R1.1035 CCCCNC(C)c1ccccc1C 269862a_100000102301_100000211656 [0,1,1,0,0,0|2,0,0]=4 1535 B14R1.1035 CCCCNC(C)c1ccccc1C 34a_100000181355_100000210210 [0,1,1,0,0,0|2,0,0]=4 1536 B14R1.1035 CCCCNC(C)c1ccccc1Cl 2230a_100000102301_100000181259 [0,1,1,0,0,0|2,0,0]=4 1537 B14R1.1035 CCCCNC(C)c1ccccc1Cl 2230a_100000174978_100000210211 [0,1,1,0,0,0|2,0,0]=4 1538 B14R1.1035 CCCCNC(C)c1ccccc1Cl 269862a_100000102301_100000210134 [0,1,1,0,0,0|2,0,0]=4 1539 B14R1.1035 CCCCNC(C)c1ccccc1Cl 34a_100000174978_100000210210 [0,1,1,0,0,0|2,0,0]=4 1540 B14R1.1035 CCCCNC(C)c1ccccc1Cl 7a_106832991798_100000181259 [0,1,1,0,0,0|2,0,0]=4 1541 B14R1.1035 CCCCNC(C)c1ccccc1F 2230a_100000102301_200000741388 [0,1,1,0,0,0|2,0,0]=4 1542 B14R1.1035 CCCCNC(C)c1ccccc1F 2230a_100000181408_100000210211 [0,1,1,0,0,0|2,0,0]=4 1543 B14R1.1035 CCCCNC(C)c1ccccc1F 269862a_100000102301_100000210632 [0,1,1,0,0,0|2,0,0]=4 1544 B14R1.1035 CCCCNC(C)c1ccccc1F 34a_100000181408_100000210210 [0,1,1,0,0,0|2,0,0]=4 1545 B14R1.1035 CCCCNC(C)c1ccccc1F 7a_106832991798_200000741388 [0,1,1,0,0,0|2,0,0]=4 1546 B14R1.1035 CCCCNC(C)c1ccccc1I 269862a_100000102301_100000751169 [0,1,1,0,0,0|2,0,0]=4 1547 B14R1.1035 CCCCN[C@H](C)c1ccccc1O 2230a_100025703389_100000210211 [0,1,1,0,0,0|2,0,0]=4 1548 B14R1.1035 CCCCOC(C)c1ccccc1Br 34a_100000702211_100000210210 [0,1,1,0,0,0|2,0,0]=4 1549 B14R1.1035 CCCCOC(C)c1ccccc1Br 7a_100000702211_100000210211 [0,1,1,0,0,0|2,0,0]=4 1550 B14R1.1035 CCCCOC(C)c1ccccc1C 34a_100000742021_100000210210 [0,1,1,0,0,0|2,0,0]=4 1551 B14R1.1035 CCCCOC(C)c1ccccc1C 7a_100000742021_100000210211 [0,1,1,0,0,0|2,0,0]=4 1552 B14R1.1035 CCCCOC(C)c1ccccc1Cl 34a_100000740796_100000210210 [0,1,1,0,0,0|2,0,0]=4 1553 B14R1.1035 CCCCOC(C)c1ccccc1Cl 7a_100000210227_100000181259 [0,1,1,0,0,0|2,0,0]=4 1554 B14R1.1035 CCCCOC(C)c1ccccc1Cl 7a_100000740796_100000210211 [0,1,1,0,0,0|2,0,0]=4 1555 B14R1.1035 CCCCOC(C)c1ccccc1F 34a_100000210227_200000741388 [0,1,1,0,0,0|2,0,0]=4 1556 B14R1.1035 CCCCOC(C)c1ccccc1F 34a_100000697922_100000210210 [0,1,1,0,0,0|2,0,0]=4 1557 B14R1.1035 CCCCOC(C)c1ccccc1F 7a_100000210227_200000741388 [0,1,1,0,0,0|2,0,0]=4 1558 B14R1.1035 CCCCOC(C)c1ccccc1F 7a_100000697922_100000210211 [0,1,1,0,0,0|2,0,0]=4 1559 B14R1.1035 CCCCOC(C)c1ccccc1N 7a_100011405641_100000210211 [0,1,1,0,0,0|2,0,0]=4 1560 B14R1.1035 CCCCSC(C)c1ccccc1Cl 62a_100000181259_100000210210 [0,1,1,0,0,0|2,0,0]=4 1561 B14R1.1035 CCCCSC(C)c1ccccc1Cl 62a_100000210211_100000181259 [0,1,1,0,0,0|2,0,0]=4 1562 B14R1.1035 CCCCSC(C)c1ccccc1F 62a_100000210211_200000741388 [0,1,1,0,0,0|2,0,0]=4 1563 B14R1.1035 CCCCSC(C)c1ccccc1F 62a_200000741388_100000210210 [0,1,1,0,0,0|2,0,0]=4 1564 B14R1.1035 CCCNCC(O)c1ccccc1Br 2230a_100011236429_100000210303 [0,1,1,0,0,0|2,0,0]=4 1565 B14R1.1035 CCCNCC(O)c1ccccc1Cl 2230a_200000759403_100000210303 [0,1,1,0,0,0|2,0,0]=4 1566 B14R1.1035 CCCNCC(O)c1ccccc1Cl 34a_200000759403_100000210303 [0,1,1,0,0,0|2,0,0]=4 1567 B14R1.1035 CCCOCC(N)c1ccccc1Cl 34a_100138412506_100000210303 [0,1,1,0,0,0|1,0,0]=3 1568 B14R1.1035 CCCOCC(N)c1ccncc1Cl 34a_200020642286_100000210303 [0,1,1,0,0,0|2,0,0]=4 1569 B14R1.1035 CCCOC[C@@H](N)c1ccccc1Br 34a_100161155918_100000210303 [0,1,1,0,0,0|1,0,0]=3 1570 B14R1.1035 CCCOC[C@H](N)c1ccccc1F 34a_100009818778_100000210303 [0,1,1,0,0,0|1,0,0]=3 1571 B14R1.1035 CCOCCC(N)c1ccccc1Cl 34a_100011661560_100000210202 [0,1,1,0,0,0|1,0,0]=3 1572 B14R1.1035 CCOCCC(N)c1ccccc1F 34a_100011661569_100000210202 [0,1,1,0,0,0|1,0,0]=3 1573 B14R1.1035 CSCOCC(N)c1ccccc1Cl 34a_100138412506_100011218213 [0,1,1,0,0,0|2,0,0]=4 1574 B14R1.1035 CSCOC[C@@H](N)c1ccccc1Br 34a_100161155918_100011218213 [0,1,1,0,0,0|2,0,0]=4 1575 B14R1.1035 CSCOC[C@H](N)c1ccccc1F 34a_100009818778_100011218213 [0,1,1,0,0,0|2,0,0]=4 1576 B14R1.1035 NC(CCOCF)c1ccccc1Cl 34a_100011661560_100015361967 [0,1,1,0,0,0|2,0,0]=4 1577 B14R1.1035 NC(CCOCF)c1ccccc1F 34a_100011661569_100015361967 [0,1,1,0,0,0|2,0,0]=4 1578 B14R1.1035 NC(COCCF)c1ccccc1Cl 34a_100138412506_100011217306 [0,1,1,0,0,0|2,0,0]=4 1579 B14R1.1035 NC(COCCO)c1ccccc1Cl 34a_100138412506_100000211926 [0,1,1,0,0,0|2,0,0]=4 1580 B14R1.1035 N[C@@H](COCCF)c1ccccc1F 34a_100009818778_100011217306 [0,1,1,0,0,0|2,0,0]=4 1581 B14R1.1035 N[C@@H](COCCO)c1ccccc1F 34a_100009818778_100000211926 [0,1,1,0,0,0|2,0,0]=4 1582 B14R1.1035 N[C@H](COCCF)c1ccccc1Br 34a_100161155918_100011217306 [0,1,1,0,0,0|2,0,0]=4 1583 B14R1.1035 N[C@H](COCCO)c1ccccc1Br 34a_100161155918_100000211926 [0,1,1,0,0,0|2,0,0]=4 1584 B14R1.125 CCCNC(C)(C)c1ccc(cc1)Br 2230a_100000739617_100000210303 [0,1,1,0,0,0|2,0,0]=4 1585 B14R1.125 CCCNC(C)(C)c1ccc(cc1)C 2230a_200011345931_100000210303 [0,1,1,0,0,0|2,0,0]=4 1586 B14R1.125 CCCNC(C)(C)c1ccc(cc1)C 34a_200011345931_100000210303 [0,1,1,0,0,0|2,0,0]=4 1587 B14R1.125 CCCNC(C)(C)c1ccc(cc1)Cl 2230a_100000750703_100000210303 [0,1,1,0,0,0|2,0,0]=4 1588 B14R1.125 CCCNC(C)(C)c1ccc(cc1)F 2230a_100015193028_100000210303 [0,1,1,0,0,0|2,0,0]=4 1589 B14R1.125 CCCNC(C)(C)c1ccc(cc1)F 34a_100015193028_100000210303 [0,1,1,0,0,0|2,0,0]=4 1590 B14R1.125 CCCOC(C)(C)c1ccc(cc1)Br 34a_100000753367_100000210303 [0,1,1,0,0,0|2,0,0]=4 1591 B14R1.125 CCCOC(C)(C)c1ccc(cc1)Br 7a_100000753367_100000210303 [0,1,1,0,0,0|2,0,0]=4 1592 B14R1.125 CCCOC(C)(C)c1ccc(cc1)C 34a_200011345916_100000210303 [0,1,1,0,0,0|2,0,0]=4 1593 B14R1.125 CCCOC(C)(C)c1ccc(cc1)C 7a_200011345916_100000210303 [0,1,1,0,0,0|2,0,0]=4 1594 B14R1.125 CCCOC(C)(C)c1ccc(cc1)Cl 34a_100000750429_100000210303 [0,1,1,0,0,0|2,0,0]=4 1595 B14R1.125 CCCOC(C)(C)c1ccc(cc1)Cl 7a_100000750429_100000210303 [0,1,1,0,0,0|2,0,0]=4 1596 B14R1.125 CCCOC(C)(C)c1ccc(cc1)F 34a_100011219992_100000210303 [0,1,1,0,0,0|2,0,0]=4 1597 B14R1.125 CCCOC(C)(C)c1ccc(cc1)F 7a_100011219992_100000210303 [0,1,1,0,0,0|2,0,0]=4 1598 B14R1.125 CCNCC(C)(C)c1ccc(cc1)Br 270004a_100015525214_100010228009 [0,1,1,0,0,0|2,0,0]=4 1599 B14R1.125 CCNCC(C)(C)c1ccc(cc1)Cl 2230a_100000742012_100000210202 [0,1,1,0,0,0|2,0,0]=4 1600 B14R1.125 CCOCC(C)(C)c1ccc(cc1)Cl 34a_100000068334_100000210202 [0,1,1,0,0,0|2,0,0]=4 1601 B14R1.125 CCOCC(C)(C)c1ccc(cc1)Cl 7a_100000068334_100000210202 [0,1,1,0,0,0|2,0,0]=4 1602 B14R1.125 CCOCC(C)(C)c1ccc(cc1)N 34a_103496529068_100000210202 [0,1,1,0,0,0|2,0,0]=4 1603 B14R1.126 CCCNC(C)(C)c1cccc(c1)Br 2230a_100016995529_100000210303 [0,1,1,0,0,0|2,0,0]=4 1604 B14R1.126 CCCNC(C)(C)c1cccc(c1)Cl 2230a_100020605014_100000210303 [0,1,1,0,0,0|2,0,0]=4 1605 B14R1.126 CCCNC(C)(C)c1cccc(c1)F 2230a_100016993694_100000210303 [0,1,1,0,0,0|2,0,0]=4 1606 B14R1.126 CCCNC(C)(C)c1cccc(c1)F 34a_100016993694_100000210303 [0,1,1,0,0,0|2,0,0]=4 1607 B14R1.126 CCCOC(C)(C)c1cccc(c1)Br 34a_100011346009_100000210303 [0,1,1,0,0,0|2,0,0]=4 1608 B14R1.126 CCCOC(C)(C)c1cccc(c1)Br 7a_100011346009_100000210303 [0,1,1,0,0,0|2,0,0]=4 1609 B14R1.126 CCCOC(C)(C)c1cccc(c1)Cl 34a_100011345980_100000210303 [0,1,1,0,0,0|2,0,0]=4 1610 B14R1.126 CCCOC(C)(C)c1cccc(c1)Cl 7a_100011345980_100000210303 [0,1,1,0,0,0|2,0,0]=4 1611 B14R1.126 CCCOC(C)(C)c1cccc(c1)F 34a_200011345953_100000210303 [0,1,1,0,0,0|2,0,0]=4 1612 B14R1.126 CCCOC(C)(C)c1cccc(c1)F 7a_200011345953_100000210303 [0,1,1,0,0,0|2,0,0]=4 1613 B14R1.126 CCNCC(C)(C)c1cccc(c1)Br 2230a_100000749542_100000210202 [0,1,1,0,0,0|2,0,0]=4 1614 B14R1.126 CCNCC(C)(C)c1cccc(c1)Cl 2230a_100000747265_100000210202 [0,1,1,0,0,0|2,0,0]=4 1615 B14R1.126 CCNCC(C)(C)c1cccc(c1)F 2230a_100000757675_100000210202 [0,1,1,0,0,0|2,0,0]=4 1616 B14R1.126 CCNCC(C)(C)c1cccc(c1)F 34a_100000757675_100000210202 [0,1,1,0,0,0|2,0,0]=4 1617 B14R1.126 CCOCC(C)(C)c1cccc(c1)Br 34a_200010233077_100000210202 [0,1,1,0,0,0|2,0,0]=4 1618 B14R1.126 CCOCC(C)(C)c1cccc(c1)Br 7a_200010233077_100000210202 [0,1,1,0,0,0|2,0,0]=4 1619 B14R1.175 C#CC(C)(OCCC)c1ccccc1 34a_100000198054_100000210303 [0,1,1,0,0,0|2,0,0]=4 1620 B14R1.175 C#CC(C)(OCCC)c1ccccc1 7a_100000198054_100000210303 [0,1,1,0,0,0|2,0,0]=4 1621 B14R1.175 CCCOC(C)(CC)c1ccccc1 7a_100000748282_100000210303 [0,1,1,0,0,0|2,0,0]=4 1622 B14R1.510 CCCC(=O)C(C)(C)c1ccccc1 1458a_100000211857_100000210303 [0,1,1,0,0,0|1,0,1]=4 1623 B14R1.510 CCCC(=O)C(C)(C)c1ccccc1 1458a_100000211992_100000034625 [0,1,1,0,0,0|1,0,1]=4 1624 B14R1.510 CCCC(=O)[C@](C)(O)c1ccccc1 1458a_100000753667_100000210303 [0,1,1,0,0,0|1,0,1]=4 1625 B14R1.510 CCCN(C)C(C)(C)c1ccccc1 2230a_100000747261_100000034625 [0,1,1,0,0,0|2,0,0]=4 1626 B14R1.510 CCCN(C)C(C)(C)c1ccccc1 269982a_100000747261_100000034625 [0,1,1,0,0,0|2,0,0]=4 1627 B14R1.741 CC(CC(C)(C)c1ccccc1)N[13CH3] 2230a_100000746124_200025704644 [0,1,1,0,0,0|2,0,0]=4 1628 B14R1.741 CCC(=O)CC(C)(C)c1ccccc1 1458a_100011409233_100000210202 [0,1,1,0,0,0|1,0,1]=4 1629 B14R1.741 CCC(C)NC(C)(C)c1ccccc1 2230a_100000209981_100000034625 [0,1,1,0,0,0|2,0,0]=4 1630 B14R1.741 CCC(C)NC(C)(C)c1ccccc1 2230a_100011218174_100000758301 [0,1,1,0,0,0|2,0,0]=4 1631 B14R1.741 CCC(C)OC(C)(C)c1ccccc1 7a_100000694644_100000758301 [0,1,1,0,0,0|2,0,0]=4 1632 B14R1.741 CCC(C)SC(C)(C)c1ccccc1 62a_100000034625_100000758301 [0,1,1,0,0,0|2,0,0]=4 1633 B14R1.741 CCC(C)SC(C)(C)c1ccccc1 62a_100000758301_100000034625 [0,1,1,0,0,0|2,0,0]=4 1634 B14R1.741 CCN(C)CC(C)(C)c1ccccc1 269982a_100000225621_100000703224 [0,1,1,0,0,0|2,0,0]=4 1635 B14R1.741 CCN(C)CC(C)(O)c1ccccc1 2230a_100011660921_100000210202 [0,1,1,0,0,0|2,0,0]=4 1636 B14R1.741 CCN(C)CC(C)(O)c1ccccc1 269982a_100011660921_100000204670 [0,1,1,0,0,0|2,0,0]=4 1637 B14R1.741 CNC(C)CC(C)(C)c1ccccc1 2230a_100000746124_200000210301 [0,1,1,0,0,0|2,0,0]=4 1638 B14R1.741 CNC(C)CC(C)(C)c1ccccc1 270004a_106832991635_100000198046 [0,1,1,0,0,0|2,0,0]=4 1639 B14R1.813 CC(C)CNC(C)(C)c1ccccc1 2230a_100000210953_100000034625 [0,1,1,0,0,0|2,0,0]=4 1640 B14R1.813 CC(C)CNC(C)(C)c1ccccc1 2230a_100011218174_100000210760 [0,1,1,0,0,0|2,0,0]=4 1641 B14R1.813 CC(C)CNC(C)(C)c1ccccc1 270004a_100011218174_100000210432 [0,1,1,0,0,0|2,0,0]=4 1642 B14R1.813 CC(C)COC(C)(C)c1ccccc1 7a_100000694644_100000210760 [0,1,1,0,0,0|2,0,0]=4 1643 B14R1.813 CC(C)CSC(C)(C)c1ccccc1 62a_100000034625_100000210760 [0,1,1,0,0,0|2,0,0]=4 1644 B14R1.813 CC(C)CSC(C)(C)c1ccccc1 62a_100000210624_100000034625 [0,1,1,0,0,0|2,0,0]=4 1645 B14R1.813 CC(C)NCC(C)(C)c1ccccc1 2230a_100011211644_100000210206 [0,1,1,0,0,0|2,0,0]=4 1646 B14R1.813 CC(C)NCC(C)(O)c1ccccc1 2230a_100011660926_100000210206 [0,1,1,0,0,0|2,0,0]=4 1647 B14R1.813 CC(C)OCC(C)(C)c1ccccc1 7a_100000747608_100000210206 [0,1,1,0,0,0|2,0,0]=4 1648 B14R1.813 CC(C)SCC(C)(C)c1ccccc1 62a_100000210206_100000703224 [0,1,1,0,0,0|2,0,0]=4 1649 B14R1.813 CC(C)SCC(C)(C)c1ccccc1 62a_100000703224_100000210206 [0,1,1,0,0,0|2,0,0]=4 1650 B14R1.813 CC(O)CNC(C)(C)c1ccccc1 2230a_100000210904_100000034625 [0,1,1,0,0,0|2,0,0]=4 1651 B14R1.813 CC(O)CNC(C)(C)c1ccccc1 2230a_100011218174_100011218427 [0,1,1,0,0,0|2,0,0]=4 1652 B14R1.813 CC(O)COC(C)(C)c1ccccc1 7a_100000694644_100011218427 [0,1,1,0,0,0|2,0,0]=4 1653 B14R1.813 CC(O)CSC(C)(C)c1ccccc1 62a_100000034625_100011218427 [0,1,1,0,0,0|2,0,0]=4 1654 B14R1.813 CC(O)CSC(C)(C)c1ccccc1 62a_100011218427_100000034625 [0,1,1,0,0,0|2,0,0]=4 1655 B14R1.813 C[C@@H](O)CNC(C)(C)c1ccccc1 2230a_100011218174_100009817552 [0,1,1,0,0,0|2,0,0]=4 1656 B14R1.813 C[C@@H](O)COC(C)(C)c1ccccc1 7a_100000694644_100009817552 [0,1,1,0,0,0|2,0,0]=4 1657 B14R1.813 C[C@@H](O)CSC(C)(C)c1ccccc1 62a_100000034625_100009817552 [0,1,1,0,0,0|2,0,0]=4 1658 B14R1.813 C[C@@H](O)CSC(C)(C)c1ccccc1 62a_100009817552_100000034625 [0,1,1,0,0,0|2,0,0]=4 1659 B14R1.4230 CCCNC(C)(C)c1ccccc1Br 2230a_100020606264_100000210303 [0,1,1,0,0,0|2,0,0]=4 1660 B14R1.4230 CCCNC(C)(C)c1ccccc1Cl 2230a_100020606166_100000210303 [0,1,1,0,0,0|2,0,0]=4 1661 B14R1.4230 CCCNC(C)(C)c1ccccc1Cl 34a_100020606166_100000210303 [0,1,1,0,0,0|2,0,0]=4 1662 B14R1.4230 CCCNC(C)(C)c1ccccc1F 2230a_100000734538_100000210303 [0,1,1,0,0,0|2,0,0]=4 1663 B14R1.4230 CCCNC(C)(C)c1ccccc1F 34a_100000734538_100000210303 [0,1,1,0,0,0|2,0,0]=4 1664 B14R1.4230 CCCOC(C)(C)c1ccccc1Br 34a_100011346021_100000210303 [0,1,1,0,0,0|2,0,0]=4 1665 B14R1.4230 CCCOC(C)(C)c1ccccc1Br 7a_100011346021_100000210303 [0,1,1,0,0,0|2,0,0]=4 1666 B14R1.4230 CCCOC(C)(C)c1ccccc1Cl 34a_100000690508_100000210303 [0,1,1,0,0,0|2,0,0]=4 1667 B14R1.4230 CCCOC(C)(C)c1ccccc1Cl 7a_100000690508_100000210303 [0,1,1,0,0,0|2,0,0]=4 1668 B14R1.4230 CCCOC(C)(C)c1ccccc1F 34a_100011345963_100000210303 [0,1,1,0,0,0|2,0,0]=4 1669 B14R1.4230 CCCOC(C)(C)c1ccccc1F 7a_100011345963_100000210303 [0,1,1,0,0,0|2,0,0]=4 1670 B14R1.4230 CCCOC(C)(C)c1ccccc1I 34a_100010296449_100000210303 [0,1,1,0,0,0|2,0,0]=4 1671 B14R1.4230 CCCOC(C)(C)c1ccccc1I 7a_100010296449_100000210303 [0,1,1,0,0,0|2,0,0]=4 1672 B14R1.4230 CCCOC(C)(C)c1ccccc1N 7a_100000081495_100000210303 [0,1,1,0,0,0|2,0,0]=4 1673 B14R1.4230 CCNCC(C)(C)c1ccccc1F 2230a_100000748766_100000210202 [0,1,1,0,0,0|2,0,0]=4 1674 B14R1.4230 CCNCC(C)(C)c1ccccc1F 34a_100000748766_100000210202 [0,1,1,0,0,0|2,0,0]=4 1675 B14R1.974 CCNC(CC)(CC)c1ccccc1 2230a_100020617177_100000210202 [0,1,1,0,0,0|2,0,0]=4 1676 B14R1.974 CCOC(CC)(CC)c1ccccc1 7a_200011218014_100000210202 [0,1,1,0,0,0|2,0,0]=4 1677 B14R1.2982 CCC(=O)C(O)(CC)c1ccccc1 1458a_100011434905_100000210202 [0,1,1,0,0,0|1,0,1]=4 1678 B14R1.3642 CCC(C)(OC(C)C)c1ccccc1 7a_100000748282_100000210206 [0,1,1,0,0,0|2,0,0]=4 1679 B14R1.6706 CCCC(C)(OCC)c1ccccc1 7a_200011216028_100000210202 [0,1,1,0,0,0|1,0,0]=3 1680 B14R1.6706 CCCC(C)(OCF)c1ccccc1 7a_200011216028_100015361967 [0,1,1,0,0,0|2,0,0]=4 1681 B14R1.8404 C=CC=CC(=O)NC1(CCCCC1)C 1626a_100000741114_100016291481 [0,1,1,0,0,0|2,0,0]=4 1682 B14R2.21 Brc1cccc(c1)C2=CCCCC2 271570a_100000062251_100000691529 [1,1,0,0,0,0|0,0,2]=4 1683 B14R2.21 CN1CCCC(C1)c2ccccc2 2230a_100011236195_200000210301 [1,1,0,0,0,0|1,0,0]=3 1684 B14R2.21 CN1CCCC(C1)c2ccccc2 269982a_100011236195_200000210301 [1,1,0,0,0,0|1,0,0]=3 1685 B14R2.21 CN1CCCC(C1)c2ccccc2 34a_100011236195_200000210301 [1,1,0,0,0,0|1,0,0]=3 1686 B14R2.21 CN1CCO[C@H](C1)c2ccccc2 2230a_100009815478_200000210301 [1,1,0,0,0,0|2,0,0]=4 1687 B14R2.21 CN1CCO[C@H](C1)c2ccccc2 269982a_100009815478_200000210301 [1,1,0,0,0,0|2,0,0]=4 1688 B14R2.21 CN1CCO[C@H](C1)c2ccccc2 34a_100009815478_200000210301 [1,1,0,0,0,0|2,0,0]=4 1689 B14R2.21 Cc1cccc(c1)C2=CCCCC2 271570a_100000062251_100011215228 [1,1,0,0,0,0|0,0,2]=4 1690 B14R2.21 Clc1cccc(c1)C2=CCCCC2 271570a_100000062251_100000699651 [1,1,0,0,0,0|0,0,2]=4 1691 B14R2.21 Fc1cccc(c1)C2=CCCCC2 271570a_100000062251_100000685547 [1,1,0,0,0,0|0,0,2]=4 1692 B14R2.21 Nc1cccc(c1)C2=CCCCC2 271570a_100000062251_100000210019 [1,1,0,0,0,0|0,0,2]=4 1693 B14R2.21 Oc1cc(ccn1)N2CCCCC2 271570a_203496583355_100000731838 [1,1,0,0,0,0|2,0,0]=4 1694 B14R2.21 Oc1cccc(c1)C2=CCCCC2 271570a_100000062251_100000211634 [1,1,0,0,0,0|0,0,2]=4 1695 B14R2.21 Oc1cccc(c1)C2CCNCC2 271570a_203496583355_100000726733 [1,1,0,0,0,0|1,0,0]=3 1696 B14R2.21 Oc1cccc(c1)C2OCCCO2 271570a_203496583355_100000752065 [1,1,0,0,0,0|2,0,0]=4 1697 B14R2.21 Oc1cccc(c1)N2CCCCC2 271570a_203496583355_100159271270 [1,1,0,0,0,0|1,0,0]=3 1698 B14R2.21 Oc1cccc(c1)N2CCNCC2 271570a_203496583355_100000729370 [1,1,0,0,0,0|2,0,0]=4 1699 B14R2.21 Oc1cccc(c1)N2CCOCC2 271570a_203496583355_100020638979 [1,1,0,0,0,0|2,0,0]=4 1700 B14R2.21 Oc1cccc(n1)N2CCCCC2 271570a_203496583355_200011934742 [1,1,0,0,0,0|2,0,0]=4 1701 B14R2.21 Oc1ccnc(c1)N2CCCCC2 271570a_203496583355_100000100308 [1,1,0,0,0,0|2,0,0]=4 1702 B14R2.21 [13CH3]N1CCCC(C1)c2ccccc2 2230a_100011236195_200025704644 [1,1,0,0,0,0|1,0,0]=3 1703 B14R2.21 [13CH3]N1CCCC(C1)c2ccccc2 269982a_100011236195_200025704644 [1,1,0,0,0,0|1,0,0]=3 1704 B14R2.21 [13CH3]N1CCCC(C1)c2ccccc2 34a_100011236195_200025704644 [1,1,0,0,0,0|1,0,0]=3 1705 B14R2.21 [13CH3]N1CCO[C@H](C1)c2ccccc2 2230a_100009815478_200025704644 [1,1,0,0,0,0|2,0,0]=4 1706 B14R2.21 [13CH3]N1CCO[C@H](C1)c2ccccc2 269982a_100009815478_200025704644 [1,1,0,0,0,0|2,0,0]=4 1707 B14R2.21 [13CH3]N1CCO[C@H](C1)c2ccccc2 34a_100009815478_200025704644 [1,1,0,0,0,0|2,0,0]=4 1708 B14R2.21 [S]c1cccc(c1)C2=CCCCC2 271570a_100000062251_114929384022 [1,1,0,0,0,0|0,0,2]=4 1709 B14R2.24 Brc1ccccc1C2=CCCCC2 271570a_100000062251_100000695589 [1,1,0,0,0,0|0,0,2]=4 1710 B14R2.24 CN1CCCCC1c2ccccc2 2230a_100000707174_200000210301 [1,1,0,0,0,0|1,0,0]=3 1711 B14R2.24 CN1CCCCC1c2ccccc2 269982a_100000707174_200000210301 [1,1,0,0,0,0|1,0,0]=3 1712 B14R2.24 CN1CCCCC1c2ccccc2 34a_100000707174_200000210301 [1,1,0,0,0,0|1,0,0]=3 1713 B14R2.24 CN1CCCCC1c2ccccn2 2230a_100015185292_200000210301 [1,1,0,0,0,0|2,0,0]=4 1714 B14R2.24 CN1CCCCC1c2ccccn2 269982a_100015185292_200000210301 [1,1,0,0,0,0|2,0,0]=4 1715 B14R2.24 CN1CCCCC1c2cccnc2 2230a_100000723942_200000210301 [1,1,0,0,0,0|2,0,0]=4 1716 B14R2.24 CN1CCCCC1c2cccnc2 269982a_100000723942_200000210301 [1,1,0,0,0,0|2,0,0]=4 1717 B14R2.24 CN1CCOCC1c2ccccc2 2230a_100000765270_200000210301 [1,1,0,0,0,0|2,0,0]=4 1718 B14R2.24 CN1CCOCC1c2ccccc2 269982a_100000765270_200000210301 [1,1,0,0,0,0|2,0,0]=4 1719 B14R2.24 CN1CCOCC1c2ccccc2 34a_100000765270_200000210301 [1,1,0,0,0,0|2,0,0]=4 1720 B14R2.24 CN1CCSCC1c2ccccc2 2230a_102495339932_200000210301 [1,1,0,0,0,0|2,0,0]=4 1721 B14R2.24 CN1CCSCC1c2ccccc2 269982a_102495339932_200000210301 [1,1,0,0,0,0|2,0,0]=4 1722 B14R2.24 CN1CCSCC1c2ccccc2 7a_102495339932_200000210301 [1,1,0,0,0,0|2,0,0]=4 1723 B14R2.24 Cc1ccccc1C2=CCCCC2 271570a_100000062251_100000210755 [1,1,0,0,0,0|0,0,2]=4 1724 B14R2.24 Clc1ccccc1C2=CCCCC2 271570a_100000062251_100000764095 [1,1,0,0,0,0|0,0,2]=4 1725 B14R2.24 Fc1ccccc1C2=CCCCC2 271570a_100000062251_100011215700 [1,1,0,0,0,0|0,0,2]=4 1726 B14R2.24 Nc1ccccc1C2=CCCCC2 271570a_100000062251_100000210017 [1,1,0,0,0,0|0,0,2]=4 1727 B14R2.24 Oc1ccccc1C2=CCCCC2 271570a_100000062251_100000739446 [1,1,0,0,0,0|0,0,2]=4 1728 B14R2.24 Oc1ccccc1C2CCCCC2 271570a_203496583355_200009813743 [1,1,0,0,0,0|0,0,0]=2 1729 B14R2.24 Oc1ccccc1C2CCCCN2 271570a_203496583355_100010004825 [1,1,0,0,0,0|1,0,0]=3 1730 B14R2.24 Oc1ccccc1C2CNCCN2 271570a_203496583355_200010178367 [1,1,0,0,0,0|2,0,0]=4 1731 B14R2.24 Oc1ccccc1N2CCCCC2 271570a_203496583355_100159312943 [1,1,0,0,0,0|1,0,0]=3 1732 B14R2.24 Oc1ccccc1N2CCNCC2 271570a_203496583355_102495324788 [1,1,0,0,0,0|2,0,0]=4 1733 B14R2.24 Oc1ccccc1N2CCOCC2 271570a_203496583355_100011821384 [1,1,0,0,0,0|2,0,0]=4 1734 B14R2.24 Oc1cccnc1N2CCCCC2 271570a_203496583355_200103154647 [1,1,0,0,0,0|2,0,0]=4 1735 B14R2.24 Oc1cncnc1C2CCCCC2 271570a_203496583355_200009817048 [1,1,0,0,0,0|2,0,0]=4 1736 B14R2.24 [13CH3]N1CCCCC1c2ccccc2 2230a_100000707174_200025704644 [1,1,0,0,0,0|1,0,0]=3 1737 B14R2.24 [13CH3]N1CCCCC1c2ccccc2 269982a_100000707174_200025704644 [1,1,0,0,0,0|1,0,0]=3 1738 B14R2.24 [13CH3]N1CCCCC1c2ccccc2 34a_100000707174_200025704644 [1,1,0,0,0,0|1,0,0]=3 1739 B14R2.24 [13CH3]N1CCCCC1c2ccccn2 2230a_100015185292_200025704644 [1,1,0,0,0,0|2,0,0]=4 1740 B14R2.24 [13CH3]N1CCCCC1c2ccccn2 269982a_100015185292_200025704644 [1,1,0,0,0,0|2,0,0]=4 1741 B14R2.24 [13CH3]N1CCCCC1c2cccnc2 2230a_100000723942_200025704644 [1,1,0,0,0,0|2,0,0]=4 1742 B14R2.24 [13CH3]N1CCCCC1c2cccnc2 269982a_100000723942_200025704644 [1,1,0,0,0,0|2,0,0]=4 1743 B14R2.24 [13CH3]N1CCOCC1c2ccccc2 2230a_100000765270_200025704644 [1,1,0,0,0,0|2,0,0]=4 1744 B14R2.24 [13CH3]N1CCOCC1c2ccccc2 269982a_100000765270_200025704644 [1,1,0,0,0,0|2,0,0]=4 1745 B14R2.24 [13CH3]N1CCOCC1c2ccccc2 34a_100000765270_200025704644 [1,1,0,0,0,0|2,0,0]=4 1746 B14R2.24 [13CH3]N1CCSCC1c2ccccc2 2230a_102495339932_200025704644 [1,1,0,0,0,0|2,0,0]=4 1747 B14R2.24 [13CH3]N1CCSCC1c2ccccc2 269982a_102495339932_200025704644 [1,1,0,0,0,0|2,0,0]=4 1748 B14R2.24 [13CH3]N1CCSCC1c2ccccc2 7a_102495339932_200025704644 [1,1,0,0,0,0|2,0,0]=4 1749 B14R2.68 Brc1ccc(cc1)C2=CCCCC2 271570a_100000062251_100000752885 [1,1,0,0,0,0|0,0,2]=4 1750 B14R2.68 CC1CC=C(CC1)c2ccccc2 271570a_100010240233_100000210277 [1,1,0,0,0,0|0,0,2]=4 1751 B14R2.68 CN1CCC(CC1)c2ccccc2 2230a_100000736203_200000210301 [1,1,0,0,0,0|1,0,0]=3 1752 B14R2.68 CN1CCC(CC1)c2ccccc2 269982a_100000736203_200000210301 [1,1,0,0,0,0|1,0,0]=3 1753 B14R2.68 CN1CCC(CC1)c2ccccc2 34a_100000736203_200000210301 [1,1,0,0,0,0|1,0,0]=3 1754 B14R2.68 CN1CCC(CC1)c2ccncc2 2230a_100011218148_200000210301 [1,1,0,0,0,0|2,0,0]=4 1755 B14R2.68 CN1CCC(CC1)c2ccncc2 269982a_100011218148_200000210301 [1,1,0,0,0,0|2,0,0]=4 1756 B14R2.68 CN1CCN(CC1)c2ccccc2 2230a_200000209977_200000210301 [1,1,0,0,0,0|2,0,0]=4 1757 B14R2.68 CN1CCN(CC1)c2ccccc2 269982a_200000209977_200000210301 [1,1,0,0,0,0|2,0,0]=4 1758 B14R2.68 Cc1ccc(cc1)C2=CCCCC2 271570a_100000062251_100000186775 [1,1,0,0,0,0|0,0,2]=4 1759 B14R2.68 Clc1ccc(cc1)C2=CCCCC2 271570a_100000062251_100000755918 [1,1,0,0,0,0|0,0,2]=4 1760 B14R2.68 Fc1ccc(cc1)C2=CCCCC2 271570a_100000062251_100000211213 [1,1,0,0,0,0|0,0,2]=4 1761 B14R2.68 Nc1ccc(cc1)C2=CCCCC2 271570a_100000062251_100000185761 [1,1,0,0,0,0|0,0,2]=4 1762 B14R2.68 OC1CC=C(CC1)c2ccccc2 271570a_100010254553_100000210277 [1,1,0,0,0,0|0,0,2]=4 1763 B14R2.68 Oc1ccc(cc1)C2=CCCCC2 271570a_100000062251_100000185759 [1,1,0,0,0,0|0,0,2]=4 1764 B14R2.68 Oc1ccc(cc1)C2=CCCCC2 271570a_203496583355_100009811967 [1,1,0,0,0,0|0,0,2]=4 1765 B14R2.68 Oc1ccc(cc1)C2CCCCC2 271570a_203496583355_100011217854 [1,1,0,0,0,0|0,0,0]=2 1766 B14R2.68 Oc1ccc(cc1)C2CCCCN2 271570a_203496583355_100010004824 [1,1,0,0,0,0|1,0,0]=3 1767 B14R2.68 Oc1ccc(cc1)C2CCNCC2 271570a_203496583355_100000727425 [1,1,0,0,0,0|1,0,0]=3 1768 B14R2.68 Oc1ccc(cc1)C2CCOCC2 271570a_203496583355_100010167726 [1,1,0,0,0,0|1,0,0]=3 1769 B14R2.68 Oc1ccc(cc1)C2CNCCN2 271570a_203496583355_100010163160 [1,1,0,0,0,0|2,0,0]=4 1770 B14R2.68 Oc1ccc(cc1)C2CNCCO2 271570a_203496583355_100000745233 [1,1,0,0,0,0|2,0,0]=4 1771 B14R2.68 Oc1ccc(cc1)N2CCCCC2 271570a_203496583355_100011821443 [1,1,0,0,0,0|1,0,0]=3 1772 B14R2.68 Oc1ccc(cc1)N2CCNCC2 271570a_203496583355_100011236372 [1,1,0,0,0,0|2,0,0]=4 1773 B14R2.68 Oc1ccc(cc1)N2CCOCC2 271570a_203496583355_100011821381 [1,1,0,0,0,0|2,0,0]=4 1774 B14R2.68 Oc1ccc(cc1)[C@@H]2CCCNC2 271570a_203496583355_106439422950 [1,1,0,0,0,0|1,0,0]=3 1775 B14R2.68 Oc1ccc(cn1)N2CCCCC2 271570a_203496583355_100010246967 [1,1,0,0,0,0|2,0,0]=4 1776 B14R2.68 Oc1ccc(nc1)C2CCOCC2 271570a_203496583355_200010157694 [1,1,0,0,0,0|2,0,0]=4 1777 B14R2.68 Oc1ccc(nc1)N2CCCCC2 271570a_203496583355_200102616235 [1,1,0,0,0,0|2,0,0]=4 1778 B14R2.68 [13CH3]N1CCC(CC1)c2ccccc2 2230a_100000736203_200025704644 [1,1,0,0,0,0|1,0,0]=3 1779 B14R2.68 [13CH3]N1CCC(CC1)c2ccccc2 269982a_100000736203_200025704644 [1,1,0,0,0,0|1,0,0]=3 1780 B14R2.68 [13CH3]N1CCC(CC1)c2ccccc2 34a_100000736203_200025704644 [1,1,0,0,0,0|1,0,0]=3 1781 B14R2.68 [13CH3]N1CCC(CC1)c2ccncc2 2230a_100011218148_200025704644 [1,1,0,0,0,0|2,0,0]=4 1782 B14R2.68 [13CH3]N1CCC(CC1)c2ccncc2 269982a_100011218148_200025704644 [1,1,0,0,0,0|2,0,0]=4 1783 B14R2.68 [13CH3]N1CCN(CC1)c2ccccc2 2230a_200000209977_200025704644 [1,1,0,0,0,0|2,0,0]=4 1784 B14R2.68 [13CH3]N1CCN(CC1)c2ccccc2 269982a_200000209977_200025704644 [1,1,0,0,0,0|2,0,0]=4 1785 B14R2.2974 CNC1(CCCC1)c2ccccc2 2230a_100025739779_200000210301 [0,1,0,0,1,0|0,0,0]=2 1786 B14R2.2974 CNC1(CCCC1)c2ccccc2 34a_100025739779_200000210301 [0,1,0,0,1,0|0,0,0]=2 1787 B14R2.2974 [13CH3]NC1(CCCC1)c2ccccc2 2230a_100025739779_200025704644 [0,1,0,0,1,0|0,0,0]=2 1788 B14R2.2974 [13CH3]NC1(CCCC1)c2ccccc2 34a_100025739779_200025704644 [0,1,0,0,1,0|0,0,0]=2 1789 B14R2.4398 Oc1ccc(cc1)C2(CCCC2)O 271570a_203496583355_100010132842 [0,1,0,0,1,0|1,0,0]=3 1790 B14R2.4471 NC1(CCCC1)c2cccc(c2)O 271570a_203496583355_200011271485 [0,1,0,0,1,0|0,0,0]=2 1791 B14R2.4471 Oc1cccc(c1)C2(CCCC2)O 271570a_203496583355_100010765679 [0,1,0,0,1,0|1,0,0]=3 1792 B16R2.128 CN1CCC(CC1)(O)Cc2ccccc2 2230a_100011215079_200000210301 [0,1,0,0,0,1|2,0,0]=4 1793 B16R2.128 CN1CCC(CC1)(O)Cc2ccccc2 269982a_100011215079_200000210301 [0,1,0,0,0,1|2,0,0]=4 1794 B16R2.128 [13CH3]N1CCC(CC1)(O)Cc2ccccc2 2230a_100011215079_200025704644 [0,1,0,0,0,1|2,0,0]=4 1795 B16R2.128 [13CH3]N1CCC(CC1)(O)Cc2ccccc2 269982a_100011215079_200025704644 [0,1,0,0,0,1|2,0,0]=4 1796 B16R2.8136 CNC1(CCCCCC1)c2ccccc2 2230a_100016987325_200000210301 [0,1,0,0,0,1|0,0,0]=2 1797 B16R2.8136 CNC1(CCCCCC1)c2ccccc2 34a_100016987325_200000210301 [0,1,0,0,0,1|0,0,0]=2 1798 B16R2.8136 [13CH3]NC1(CCCCCC1)c2ccccc2 2230a_100016987325_200025704644 [0,1,0,0,0,1|0,0,0]=2 1799 B16R2.8136 [13CH3]NC1(CCCCCC1)c2ccccc2 34a_100016987325_200025704644 [0,1,0,0,0,1|0,0,0]=2 1800 B16R2.127 CN1CCC(CC1)(O)c2cccc(c2)F 2230a_100153394307_200000210301 [0,2,0,0,0,0|2,0,0]=4 1801 B16R2.127 CN1CCC(CC1)(O)c2cccc(c2)F 269982a_100153394307_200000210301 [0,2,0,0,0,0|2,0,0]=4 1802 B16R2.127 CN1CCC(CC1)(O)c2cccc(c2)F 34a_100153394307_200000210301 [0,2,0,0,0,0|2,0,0]=4 1803 B16R2.127 [13CH3]N1CCC(CC1)(O)c2cccc(c2)F 2230a_100153394307_200025704644 [0,2,0,0,0,0|2,0,0]=4 1804 B16R2.127 [13CH3]N1CCC(CC1)(O)c2cccc(c2)F 269982a_100153394307_200025704644 [0,2,0,0,0,0|2,0,0]=4 1805 B16R2.127 [13CH3]N1CCC(CC1)(O)c2cccc(c2)F 34a_100153394307_200025704644 [0,2,0,0,0,0|2,0,0]=4 1806 B16R2.1103 CN1CCC(CC1)(O)c2ccccc2F 2230a_100015333446_200000210301 [0,2,0,0,0,0|2,0,0]=4 1807 B16R2.1103 CN1CCC(CC1)(O)c2ccccc2F 269982a_100015333446_200000210301 [0,2,0,0,0,0|2,0,0]=4 1808 B16R2.1103 CN1CCC(CC1)(O)c2ccccc2F 34a_100015333446_200000210301 [0,2,0,0,0,0|2,0,0]=4 1809 B16R2.1103 Cc1ccccc1C2(CCN(CC2)C)O 2230a_200000763583_200000210301 [0,2,0,0,0,0|2,0,0]=4 1810 B16R2.1103 Cc1ccccc1C2(CCN(CC2)C)O 269982a_200000763583_200000210301 [0,2,0,0,0,0|2,0,0]=4 1811 B16R2.1103 Cc1ccccc1C2(CCN(CC2)C)O 34a_200000763583_200000210301 [0,2,0,0,0,0|2,0,0]=4 1812 B16R2.1103 Cc1ccccc1C2(CCN(CC2)[13CH3])O 2230a_200000763583_200025704644 [0,2,0,0,0,0|2,0,0]=4 1813 B16R2.1103 Cc1ccccc1C2(CCN(CC2)[13CH3])O 269982a_200000763583_200025704644 [0,2,0,0,0,0|2,0,0]=4 1814 B16R2.1103 Cc1ccccc1C2(CCN(CC2)[13CH3])O 34a_200000763583_200025704644 [0,2,0,0,0,0|2,0,0]=4 1815 B16R2.1103 [13CH3]N1CCC(CC1)(O)c2ccccc2F 2230a_100015333446_200025704644 [0,2,0,0,0,0|2,0,0]=4 1816 B16R2.1103 [13CH3]N1CCC(CC1)(O)c2ccccc2F 269982a_100015333446_200025704644 [0,2,0,0,0,0|2,0,0]=4 1817 B16R2.1103 [13CH3]N1CCC(CC1)(O)c2ccccc2F 34a_100015333446_200025704644 [0,2,0,0,0,0|2,0,0]=4 1818 B16R2.2283 CCN1CCC(CC1)(O)c2ccccc2 2230a_100000703343_100000210202 [0,2,0,0,0,0|2,0,0]=4 1819 B16R2.2283 CCN1CCC(CC1)(O)c2ccccc2 269982a_100000703343_100000204670 [0,2,0,0,0,0|2,0,0]=4 1820 B16R2.2283 OC1(CCN(CC1)CF)c2ccccc2 269982a_100000703343_100015361967 [0,2,0,0,0,0|2,0,0]=4 1821 B16R2.46345 CN1CCC(CC1)(C#N)c2ccccc2 2230a_100000105260_200000210301 [0,2,0,0,0,0|1,0,1]=4 1822 B16R2.46345 CN1CCC(CC1)(C#N)c2ccccc2 269982a_100000105260_200000210301 [0,2,0,0,0,0|1,0,1]=4 1823 B16R2.46345 CN1CCC(CC1)(C#N)c2ccccc2 34a_100000105260_200000210301 [0,2,0,0,0,0|1,0,1]=4 1824 B16R2.46345 CN1CCC(CC1)(O[13CH3])c2ccccc2 7a_100000755193_200025704644 [0,2,0,0,0,0|2,0,0]=4 1825 B16R2.46345 COC1(CCN(CC1)C)c2ccccc2 7a_100000755193_200000210301 [0,2,0,0,0,0|2,0,0]=4 1826 B16R2.46345 [13CH3]N1CCC(CC1)(C#N)c2ccccc2 2230a_100000105260_200025704644 [0,2,0,0,0,0|1,0,1]=4 1827 B16R2.46345 [13CH3]N1CCC(CC1)(C#N)c2ccccc2 269982a_100000105260_200025704644 [0,2,0,0,0,0|1,0,1]=4 1828 B16R2.46345 [13CH3]N1CCC(CC1)(C#N)c2ccccc2 34a_100000105260_200025704644 [0,2,0,0,0,0|1,0,1]=4 1829 B16R2.167676 CN1CCC(CC1)(O)c2ccc(cc2)Br 2230a_100121572065_200000210301 [0,2,0,0,0,0|2,0,0]=4 1830 B16R2.167676 CN1CCC(CC1)(O)c2ccc(cc2)Br 269982a_100121572065_200000210301 [0,2,0,0,0,0|2,0,0]=4 1831 B16R2.167676 CN1CCC(CC1)(O)c2ccc(cc2)Cl 2230a_100011218428_200000210301 [0,2,0,0,0,0|2,0,0]=4 1832 B16R2.167676 CN1CCC(CC1)(O)c2ccc(cc2)Cl 269982a_100011218428_200000210301 [0,2,0,0,0,0|2,0,0]=4 1833 B16R2.167676 CN1CCC(CC1)(O)c2ccc(cc2)Cl 34a_100011218428_200000210301 [0,2,0,0,0,0|2,0,0]=4 1834 B16R2.167676 CN1CCC(CC1)(O)c2ccc(cc2)F 2230a_100016991077_200000210301 [0,2,0,0,0,0|2,0,0]=4 1835 B16R2.167676 CN1CCC(CC1)(O)c2ccc(cc2)F 269982a_100016991077_200000210301 [0,2,0,0,0,0|2,0,0]=4 1836 B16R2.167676 CN1CCC(CC1)(O)c2ccc(cc2)F 34a_100016991077_200000210301 [0,2,0,0,0,0|2,0,0]=4 1837 B16R2.167676 CN1CCC(CC1)(O)c2ccc(cc2)O 271570a_203496583355_100010201553 [0,2,0,0,0,0|2,0,0]=4 1838 B16R2.167676 Cc1ccc(cc1)C2(CCN(CC2)C)O 2230a_100011236475_200000210301 [0,2,0,0,0,0|2,0,0]=4 1839 B16R2.167676 Cc1ccc(cc1)C2(CCN(CC2)C)O 269982a_100011236475_200000210301 [0,2,0,0,0,0|2,0,0]=4 1840 B16R2.167676 Cc1ccc(cc1)C2(CCN(CC2)C)O 34a_100011236475_200000210301 [0,2,0,0,0,0|2,0,0]=4 1841 B16R2.167676 Cc1ccc(cc1)C2(CCN(CC2)[13CH3])O 2230a_100011236475_200025704644 [0,2,0,0,0,0|2,0,0]=4 1842 B16R2.167676 Cc1ccc(cc1)C2(CCN(CC2)[13CH3])O 269982a_100011236475_200025704644 [0,2,0,0,0,0|2,0,0]=4 1843 B16R2.167676 Cc1ccc(cc1)C2(CCN(CC2)[13CH3])O 34a_100011236475_200025704644 [0,2,0,0,0,0|2,0,0]=4 1844 B16R2.167676 [13CH3]N1CCC(CC1)(O)c2ccc(cc2)Br 2230a_100121572065_200025704644 [0,2,0,0,0,0|2,0,0]=4 1845 B16R2.167676 [13CH3]N1CCC(CC1)(O)c2ccc(cc2)Br 269982a_100121572065_200025704644 [0,2,0,0,0,0|2,0,0]=4 1846 B16R2.167676 [13CH3]N1CCC(CC1)(O)c2ccc(cc2)Cl 2230a_100011218428_200025704644 [0,2,0,0,0,0|2,0,0]=4 1847 B16R2.167676 [13CH3]N1CCC(CC1)(O)c2ccc(cc2)Cl 269982a_100011218428_200025704644 [0,2,0,0,0,0|2,0,0]=4 1848 B16R2.167676 [13CH3]N1CCC(CC1)(O)c2ccc(cc2)Cl 34a_100011218428_200025704644 [0,2,0,0,0,0|2,0,0]=4 1849 B16R2.167676 [13CH3]N1CCC(CC1)(O)c2ccc(cc2)F 2230a_100016991077_200025704644 [0,2,0,0,0,0|2,0,0]=4 1850 B16R2.167676 [13CH3]N1CCC(CC1)(O)c2ccc(cc2)F 269982a_100016991077_200025704644 [0,2,0,0,0,0|2,0,0]=4 1851 B16R2.167676 [13CH3]N1CCC(CC1)(O)c2ccc(cc2)F 34a_100016991077_200025704644 [0,2,0,0,0,0|2,0,0]=4 1852 B16R2.1965 CCN1CCCC(C1)(O)c2ccccc2 2230a_100025771231_100000210202 [0,2,0,0,0,0|2,0,0]=4 1853 B16R2.1965 CCN1CCCC(C1)(O)c2ccccc2 269982a_100025771231_100000204670 [0,2,0,0,0,0|2,0,0]=4 1854 B16R2.1965 OC1(CCCN(C1)CF)c2ccccc2 269982a_100025771231_100015361967 [0,2,0,0,0,0|2,0,0]=4 1855 B16R2.6076 COC1(CCCCC1)c2ccc(cc2)Br 34a_200010132841_200000210301 [0,2,0,0,0,0|1,0,0]=3 1856 B16R2.6076 COC1(CCCCC1)c2ccc(cc2)Br 7a_200010132841_200000210301 [0,2,0,0,0,0|1,0,0]=3 1857 B16R2.6076 COC1(CCCCC1)c2ccc(cc2)Cl 34a_100011362123_200000210301 [0,2,0,0,0,0|1,0,0]=3 1858 B16R2.6076 COC1(CCCCC1)c2ccc(cc2)Cl 7a_100011362123_200000210301 [0,2,0,0,0,0|1,0,0]=3 1859 B16R2.6076 COC1(CCNCC1)c2ccc(cc2)Br 34a_100121572065_200000210301 [0,2,0,0,0,0|2,0,0]=4 1860 B16R2.6076 COC1(CCNCC1)c2ccc(cc2)C 34a_100011236475_200000210301 [0,2,0,0,0,0|2,0,0]=4 1861 B16R2.6076 COC1(CCNCC1)c2ccc(cc2)Cl 34a_100011218428_200000210301 [0,2,0,0,0,0|2,0,0]=4 1862 B16R2.6076 COC1(CCNCC1)c2ccc(cc2)F 34a_100016991077_200000210301 [0,2,0,0,0,0|2,0,0]=4 1863 B16R2.6076 COC1(CCOCC1)c2ccc(cc2)Br 34a_100010245627_200000210301 [0,2,0,0,0,0|2,0,0]=4 1864 B16R2.6076 COC1(CCOCC1)c2ccc(cc2)Br 7a_100010245627_200000210301 [0,2,0,0,0,0|2,0,0]=4 1865 B16R2.6076 Cc1ccc(cc1)C2(CCNCC2)O[13CH3] 34a_100011236475_200025704644 [0,2,0,0,0,0|2,0,0]=4 1866 B16R2.6076 N#CC1(CCCCC1)c2ccc(cc2)O 271570a_203496583355_100011246085 [0,2,0,0,0,0|0,0,1]=3 1867 B16R2.6076 N#CC1(CCNCC1)c2ccc(cc2)O 271570a_203496583355_200160523122 [0,2,0,0,0,0|1,0,1]=4 1868 B16R2.6076 [13CH3]OC1(CCCCC1)c2ccc(cc2)Br 34a_200010132841_200025704644 [0,2,0,0,0,0|1,0,0]=3 1869 B16R2.6076 [13CH3]OC1(CCCCC1)c2ccc(cc2)Br 7a_200010132841_200025704644 [0,2,0,0,0,0|1,0,0]=3 1870 B16R2.6076 [13CH3]OC1(CCCCC1)c2ccc(cc2)Cl 34a_100011362123_200025704644 [0,2,0,0,0,0|1,0,0]=3 1871 B16R2.6076 [13CH3]OC1(CCCCC1)c2ccc(cc2)Cl 7a_100011362123_200025704644 [0,2,0,0,0,0|1,0,0]=3 1872 B16R2.6076 [13CH3]OC1(CCNCC1)c2ccc(cc2)Br 34a_100121572065_200025704644 [0,2,0,0,0,0|2,0,0]=4 1873 B16R2.6076 [13CH3]OC1(CCNCC1)c2ccc(cc2)Cl 34a_100011218428_200025704644 [0,2,0,0,0,0|2,0,0]=4 1874 B16R2.6076 [13CH3]OC1(CCNCC1)c2ccc(cc2)F 34a_100016991077_200025704644 [0,2,0,0,0,0|2,0,0]=4 1875 B16R2.6076 [13CH3]OC1(CCOCC1)c2ccc(cc2)Br 34a_100010245627_200025704644 [0,2,0,0,0,0|2,0,0]=4 1876 B16R2.6076 [13CH3]OC1(CCOCC1)c2ccc(cc2)Br 7a_100010245627_200025704644 [0,2,0,0,0,0|2,0,0]=4 1877 B16R2.7941 COC1(CCCCC1)c2cccc(c2)F 34a_100011350292_200000210301 [0,2,0,0,0,0|1,0,0]=3 1878 B16R2.7941 COC1(CCCCC1)c2cccc(c2)F 7a_100011350292_200000210301 [0,2,0,0,0,0|1,0,0]=3 1879 B16R2.7941 COC1(CCNCC1)c2cccc(c2)F 34a_100153394307_200000210301 [0,2,0,0,0,0|2,0,0]=4 1880 B16R2.7941 [13CH3]OC1(CCCCC1)c2cccc(c2)F 34a_100011350292_200025704644 [0,2,0,0,0,0|1,0,0]=3 1881 B16R2.7941 [13CH3]OC1(CCCCC1)c2cccc(c2)F 7a_100011350292_200025704644 [0,2,0,0,0,0|1,0,0]=3 1882 B16R2.7941 [13CH3]OC1(CCNCC1)c2cccc(c2)F 34a_100153394307_200025704644 [0,2,0,0,0,0|2,0,0]=4 1883 B16R2.27540 CC(=O)C1(CCCCC1)c2ccccc2 1458a_100011217237_200000210301 [0,2,0,0,0,0|1,0,0]=3 1884 B16R2.27540 CC(=O)C1(CCOCC1)c2ccccc2 1458a_100000739152_200000210301 [0,2,0,0,0,0|2,0,0]=4 1885 B16R2.27540 [13CH3]C(=O)C1(CCCCC1)c2ccccc2 1458a_100011217237_200025704644 [0,2,0,0,0,0|1,0,0]=3 1886 B16R2.27540 [13CH3]C(=O)C1(CCOCC1)c2ccccc2 1458a_100000739152_200025704644 [0,2,0,0,0,0|2,0,0]=4 1887 B16R2.28436 CCNC1(CCOCC1)c2ccccc2 2230a_100000754981_100000210202 [0,2,0,0,0,0|1,0,0]=3 1888 B16R2.28436 CCNC1(CCOCC1)c2ccccc2 34a_100000754981_100000210202 [0,2,0,0,0,0|1,0,0]=3 1889 B16R2.28436 CCOC1(CCCCC1)c2ccccc2 34a_100011219906_100000210202 [0,2,0,0,0,0|1,0,0]=3 1890 B16R2.28436 CCOC1(CCCCC1)c2ccccc2 7a_100011219906_100000210202 [0,2,0,0,0,0|1,0,0]=3 1891 B16R2.28436 CCOC1(CCOCC1)c2ccccc2 34a_100000754853_100000210202 [0,2,0,0,0,0|2,0,0]=4 1892 B16R2.28436 CCOC1(CCOCC1)c2ccccc2 7a_100000754853_100000210202 [0,2,0,0,0,0|2,0,0]=4 1893 B16R2.28436 CNCC1(CCCCC1)c2ccccc2 2230a_100011230113_200000210301 [0,2,0,0,0,0|0,0,0]=2 1894 B16R2.28436 CNCC1(CCCCC1)c2ccccc2 34a_100011230113_200000210301 [0,2,0,0,0,0|0,0,0]=2 1895 B16R2.28436 CNCC1(CCOCC1)c2ccccc2 2230a_100000739137_200000210301 [0,2,0,0,0,0|1,0,0]=3 1896 B16R2.28436 CNCC1(CCOCC1)c2ccccc2 34a_100000739137_200000210301 [0,2,0,0,0,0|1,0,0]=3 1897 B16R2.28436 FCNC1(CCOCC1)c2ccccc2 34a_100000754981_100015361967 [0,2,0,0,0,0|1,0,0]=3 1898 B16R2.28436 FCOC1(CCCCC1)c2ccccc2 34a_100011219906_100015361967 [0,2,0,0,0,0|1,0,0]=3 1899 B16R2.28436 FCOC1(CCCCC1)c2ccccc2 7a_100011219906_100015361967 [0,2,0,0,0,0|1,0,0]=3 1900 B16R2.28436 FCOC1(CCOCC1)c2ccccc2 34a_100000754853_100015361967 [0,2,0,0,0,0|2,0,0]=4 1901 B16R2.28436 FCOC1(CCOCC1)c2ccccc2 7a_100000754853_100015361967 [0,2,0,0,0,0|2,0,0]=4 1902 B16R2.28436 [13CH3]NCC1(CCCCC1)c2ccccc2 2230a_100011230113_200025704644 [0,2,0,0,0,0|0,0,0]=2 1903 B16R2.28436 [13CH3]NCC1(CCCCC1)c2ccccc2 34a_100011230113_200025704644 [0,2,0,0,0,0|0,0,0]=2 1904 B16R2.28436 [13CH3]NCC1(CCOCC1)c2ccccc2 2230a_100000739137_200025704644 [0,2,0,0,0,0|1,0,0]=3 1905 B16R2.28436 [13CH3]NCC1(CCOCC1)c2ccccc2 34a_100000739137_200025704644 [0,2,0,0,0,0|1,0,0]=3 1906 B16R2.59469 COC1(CCNCC1)c2ccccc2C 34a_200000763583_200000210301 [0,2,0,0,0,0|2,0,0]=4 1907 B16R2.59469 COC1(CCNCC1)c2ccccc2F 34a_100015333446_200000210301 [0,2,0,0,0,0|2,0,0]=4 1908 B16R2.59469 Cc1ccccc1C2(CCNCC2)O[13CH3] 34a_200000763583_200025704644 [0,2,0,0,0,0|2,0,0]=4 1909 B16R2.59469 [13CH3]OC1(CCNCC1)c2ccccc2F 34a_100015333446_200025704644 [0,2,0,0,0,0|2,0,0]=4 1910 B16R2.13235 C=Cc1ccc(cc1)C2(CCCCC2)O 271570a_100011290941_200010132841 [0,2,0,0,0,0|1,0,0]=3 1911 B16R2.13235 C=Cc1ccc(cc1)C2(CCNCC2)O 271570a_100011290941_100121572065 [0,2,0,0,0,0|2,0,0]=4 1912 B16R2.13235 C=Cc1ccc(cc1)C2(CCOCC2)O 271570a_100011290941_100010245627 [0,2,0,0,0,0|2,0,0]=4 1913 B16R2.13235 CSc1ccc(cc1)C2(CCCCC2)O 62a_200000210301_200010132841 [0,2,0,0,0,0|1,0,0]=3 1914 B16R2.13235 CSc1ccc(cc1)C2(CCCCC2)O 62a_200010132841_200000210301 [0,2,0,0,0,0|1,0,0]=3 1915 B16R2.13235 CSc1ccc(cc1)C2(CCNCC2)O 62a_100121572065_200000210301 [0,2,0,0,0,0|2,0,0]=4 1916 B16R2.13235 CSc1ccc(cc1)C2(CCNCC2)O 62a_200000210301_100121572065 [0,2,0,0,0,0|2,0,0]=4 1917 B16R2.13235 CSc1ccc(cc1)C2(CCOCC2)O 62a_100010245627_200000210301 [0,2,0,0,0,0|2,0,0]=4 1918 B16R2.13235 CSc1ccc(cc1)C2(CCOCC2)O 62a_200000210301_100010245627 [0,2,0,0,0,0|2,0,0]=4 1919 B16R2.13235 [13CH3]Sc1ccc(cc1)C2(CCCCC2)O 62a_200010132841_200025704644 [0,2,0,0,0,0|1,0,0]=3 1920 B16R2.13235 [13CH3]Sc1ccc(cc1)C2(CCCCC2)O 62a_200025704644_200010132841 [0,2,0,0,0,0|1,0,0]=3 1921 B16R2.13235 [13CH3]Sc1ccc(cc1)C2(CCNCC2)O 62a_100121572065_200025704644 [0,2,0,0,0,0|2,0,0]=4 1922 B16R2.13235 [13CH3]Sc1ccc(cc1)C2(CCNCC2)O 62a_200025704644_100121572065 [0,2,0,0,0,0|2,0,0]=4 1923 B16R2.13235 [13CH3]Sc1ccc(cc1)C2(CCOCC2)O 62a_100010245627_200025704644 [0,2,0,0,0,0|2,0,0]=4 1924 B16R2.13235 [13CH3]Sc1ccc(cc1)C2(CCOCC2)O 62a_200025704644_100010245627 [0,2,0,0,0,0|2,0,0]=4 1925 B12R0.648 C=CC=CC(=O)C(C)CCCCC 1458a_100016291481_200011218191 [0,0,2,0,0,0|2,0,0]=4 1926 B12R0.24 C=CC=CC(=O)C(C)(CC)CCC 1458a_100016291481_200000040151 [0,0,2,0,0,0|2,0,0]=4 1927 B14R2.8 CCN1CCC(C1)c2ccccc2 2230a_100000747531_100000210202 [0,0,1,1,0,0|2,0,0]=4 1928 B14R2.8 CCN1CCC(C1)c2ccccc2 269982a_100000747531_100000204670 [0,0,1,1,0,0|2,0,0]=4 1929 B14R2.8 CCN1CCC(C1)c2ccccc2 34a_100000747531_100000210202 [0,0,1,1,0,0|2,0,0]=4 1930 B14R2.8 CNC1CCC(C1)c2ccccc2 270004a_106832991635_100000750937 [0,0,1,1,0,0|2,0,0]=4 1931 B14R2.41 CCNC1CC(C1)c2ccccc2 270004a_100015525214_100000741317 [0,0,1,1,0,0|2,0,0]=4 1932 B14R2.41 CCN[C@H]1C[C@H](C1)c2ccccc2 2230a_102125402554_100000210202 [0,0,1,1,0,0|2,0,0]=4 1933 B14R2.66 CCCN[C@H]1C[C@@H]1c2ccccc2 2230a_100020588832_100000210303 [0,0,1,1,0,0|2,0,0]=4 1934 B14R2.66 CCCN[C@H]1C[C@@H]1c2ccccc2 34a_100020588832_100000210303 [0,0,1,1,0,0|2,0,0]=4 1935 B14R2.66 CCOCC1CC1c2ccccc2 34a_100011997005_100000210202 [0,0,1,1,0,0|2,0,0]=4 1936 B14R2.66 CCOCC1CC1c2ccccc2 7a_100011997005_100000210202 [0,0,1,1,0,0|2,0,0]=4 1937 B14R2.66 CCOCC1OC1c2ccccc2 34a_100000032844_100000210202 [0,0,1,1,0,0|2,0,0]=4 1938 B14R2.66 CCOCC1OC1c2ccccc2 7a_100000032844_100000210202 [0,0,1,1,0,0|2,0,0]=4 1939 B14R2.114 CC(c1ccccc1)N2CCCC2 2230a_100000188435_100000230085 [0,0,1,1,0,0|2,0,0]=4 1940 B14R2.114 CC(c1ccccc1)N2CCCC2 269982a_100000188435_100000230085 [0,0,1,1,0,0|2,0,0]=4 1941 B14R2.114 CN(c1ccccc1)C2CCCC2 2230a_100000210012_100000179811 [0,0,1,1,0,0|2,0,0]=4 1942 B14R2.114 CN(c1ccccc1)C2CCCC2 269982a_100000210012_100000179811 [0,0,1,1,0,0|2,0,0]=4 1943 B14R2.114 CN(c1ccccc1)C2CCCC2 34a_100000210012_100000179811 [0,0,1,1,0,0|2,0,0]=4 1944 B14R2.114 O=C(c1ccccc1)C2CCCC2 1458a_100000185807_100000179811 [0,0,1,1,0,0|1,0,1]=4 1945 B14R2.335 CC1CCN1C(C)c2ccccc2 269982a_100000755817_100000230085 [0,0,1,1,0,0|2,0,0]=4 1946 B14R2.335 CC1CCN1C(C)c2ccccc2 34a_100000755817_100000211855 [0,0,1,1,0,0|2,0,0]=4 1947 B14R2.510 CCNC1CC(c2c1cccc2)C 269862a_100015525214_100000750356 [0,0,1,1,0,0|2,0,0]=4 1948 B14R2.792 CC(CNC1CC1)c2ccccc2 34a_100000212008_100000756946 [0,0,1,1,0,0|2,0,0]=4 1949 B14R2.792 CC(CNC1CC1)c2ccccc2 34a_100000701038_100000211595 [0,0,1,1,0,0|2,0,0]=4 1950 B14R2.792 CC(COC1CC1)c2ccccc2 34a_100011215166_100000211595 [0,0,1,1,0,0|2,0,0]=4 1951 B14R2.792 CC(CSC1CC1)c2ccccc2 62a_100000756946_100000211595 [0,0,1,1,0,0|2,0,0]=4 1952 B14R2.792 CC(NCC1CC1)c2ccccc2 2230a_100000735609_100000230085 [0,0,1,1,0,0|2,0,0]=4 1953 B14R2.792 CC(NCC1CC1)c2ccccc2 34a_100000735609_100000211855 [0,0,1,1,0,0|2,0,0]=4 1954 B14R2.792 CC(OCC1CC1)c2ccccc2 34a_100000211283_100000211855 [0,0,1,1,0,0|2,0,0]=4 1955 B14R2.792 CC(SCC1CC1)c2ccccc2 62a_100000230085_100000742324 [0,0,1,1,0,0|2,0,0]=4 1956 B14R2.792 CC(SCC1CC1)c2ccccc2 62a_100000756562_100000230085 [0,0,1,1,0,0|2,0,0]=4 1957 B14R2.792 CN(CCC1CC1)c2ccccc2 2230a_100000210012_100000694398 [0,0,1,1,0,0|2,0,0]=4 1958 B14R2.792 CN(CCC1CC1)c2ccccc2 269982a_100000210012_100000694398 [0,0,1,1,0,0|2,0,0]=4 1959 B14R2.792 CN(CCC1CC1)c2ccccc2 34a_100000210012_100000694398 [0,0,1,1,0,0|2,0,0]=4 1960 B14R2.792 C[C@@H](NCC1CC1)c2ccccc2 2230a_100000751104_100000742324 [0,0,1,1,0,0|2,0,0]=4 1961 B14R2.792 C[C@@H](NCC1CC1)c2ccccc2 269862a_100000751104_100000741477 [0,0,1,1,0,0|2,0,0]=4 1962 B14R2.792 C[C@@H](OCC1CC1)c2ccccc2 34a_100000761318_100000742324 [0,0,1,1,0,0|2,0,0]=4 1963 B14R2.792 C[C@@H](OCC1CC1)c2ccccc2 7a_100000761318_100000742324 [0,0,1,1,0,0|2,0,0]=4 1964 B14R2.792 N[C@H](COC1CC1)c2ccccc2 34a_100000751927_100000211595 [0,0,1,1,0,0|1,0,0]=3 1965 B14R2.792 N[C@H](COC1CC1)c2ccncc2 34a_100138412524_100000211595 [0,0,1,1,0,0|2,0,0]=4 1966 B14R2.792 O=C(CCC1CC1)c2ccccc2 1458a_100000185807_100000694398 [0,0,1,1,0,0|1,0,1]=4 1967 B14R2.792 OC(CNC1CC1)c2ccccc2 34a_100000212008_100000185958 [0,0,1,1,0,0|2,0,0]=4 1968 B14R2.792 OC(CSC1CC1)c2ccccc2 62a_100000185958_100000211595 [0,0,1,1,0,0|2,0,0]=4 1969 B14R2.792 O[C@H](CNC1CC1)c2ccccc2 34a_100000212008_100011933945 [0,0,1,1,0,0|2,0,0]=4 1970 B14R2.792 O[C@H](CSC1CC1)c2ccccc2 62a_100011933945_100000211595 [0,0,1,1,0,0|2,0,0]=4 1971 B14R2.794 CC(CN1CCC1)c2ccccc2 269982a_100000754969_100000756946 [0,0,1,1,0,0|2,0,0]=4 1972 B14R2.794 CC(NC1CCC1)c2ccccc2 2230a_100000749019_100000230085 [0,0,1,1,0,0|2,0,0]=4 1973 B14R2.794 CC(NC1CCC1)c2ccccc2 269862a_100000749019_100000185851 [0,0,1,1,0,0|2,0,0]=4 1974 B14R2.794 CC(NC1CCC1)c2ccccc2 34a_100000749019_100000211855 [0,0,1,1,0,0|2,0,0]=4 1975 B14R2.794 CC(OC1CCC1)c2ccccc2 34a_100000748187_100000211855 [0,0,1,1,0,0|2,0,0]=4 1976 B14R2.794 CC(SC1CCC1)c2ccccc2 62a_100000230085_100000749161 [0,0,1,1,0,0|2,0,0]=4 1977 B14R2.794 CN(CC1CCC1)c2ccccc2 2230a_100000210012_100000763275 [0,0,1,1,0,0|2,0,0]=4 1978 B14R2.794 CN(CC1CCC1)c2ccccc2 269982a_100000210012_100000763275 [0,0,1,1,0,0|2,0,0]=4 1979 B14R2.794 CN(CC1CCC1)c2ccccc2 34a_100000210012_100000763275 [0,0,1,1,0,0|2,0,0]=4 1980 B14R2.794 C[C@@H](NC1CCC1)c2ccccc2 270004a_100000751104_100000241760 [0,0,1,1,0,0|2,0,0]=4 1981 B14R2.794 C[C@@H](OC1CCC1)c2ccccc2 34a_100000761318_100000749161 [0,0,1,1,0,0|2,0,0]=4 1982 B14R2.794 O=C(CC1CCC1)c2ccccc2 1458a_100000185807_100000763275 [0,0,1,1,0,0|1,0,1]=4 1983 B14R2.1131 CNC1CCC(c2c1cccc2)C 269862a_106832991636_100000689179 [0,0,1,1,0,0|2,0,0]=4 1984 B14R2.1253 C1=C(CCCCC1)c2ccccc2 271570a_200009888920_100000210277 [0,0,1,1,0,0|1,0,1]=4 1985 B14R2.16538 CCCCNC1Cc2c1cccc2 7a_106832991798_100009813401 [0,0,1,1,0,0|2,0,0]=4 1986 B14R2.16538 CCCCOC1Cc2c1cccc2 7a_100000210227_100009813401 [0,0,1,1,0,0|2,0,0]=4 1987 B14R2.16538 CCCCSC1Cc2c1cccc2 62a_100000210211_100009813401 [0,0,1,1,0,0|2,0,0]=4 1988 B14R2.16538 CCCCSC1Cc2c1cccc2 62a_100009813401_100000210210 [0,0,1,1,0,0|2,0,0]=4 1989 B14R2.16538 CCCOCC1Cc2c1cccc2 34a_100012476685_100000210303 [0,0,1,1,0,0|2,0,0]=4 1990 B14R2.16538 CCCOCC1Cc2c1cccc2 7a_100012476685_100000210303 [0,0,1,1,0,0|2,0,0]=4 1991 B14R2.995 CCCNC1(CC1)c2ccccc2 2230a_100000749958_100000210303 [0,0,1,1,0,0|2,0,0]=4 1992 B14R2.995 CCNCC1(CC1)c2ccccc2 2230a_100000242008_100000210202 [0,0,1,1,0,0|2,0,0]=4 1993 B14R2.995 CCNCC1(CC1)c2ccccc2 34a_100000242008_100000210202 [0,0,1,1,0,0|2,0,0]=4 1994 B14R2.995 CCOCC1(CC1)c2ccccc2 34a_100000704256_100000210202 [0,0,1,1,0,0|2,0,0]=4 1995 B14R2.995 CCOCC1(CC1)c2ccccc2 7a_100000704256_100000210202 [0,0,1,1,0,0|2,0,0]=4 1996 B14R2.2986 CCN1CC(C1)(O)c2ccccc2 2230a_100000717221_100000210202 [0,0,1,1,0,0|2,0,0]=4 1997 B14R2.2986 CCN1CC(C1)(O)c2ccccc2 269982a_100000717221_100000204670 [0,0,1,1,0,0|2,0,0]=4 1998 B14R2.2986 CNC1CC(C1)(C)c2ccccc2 270004a_106832991635_100000062871 [0,0,1,1,0,0|2,0,0]=4 1999 B14R2.2986 CNC1CC(C1)(O)c2ccccc2 2230a_200025715543_200000210301 [0,0,1,1,0,0|2,0,0]=4 2000 B14R2.2986 [13CH3]NC1CC(C1)(O)c2ccccc2 2230a_200025715543_200025704644 [0,0,1,1,0,0|2,0,0]=4 2001 B14R2.4562 CC(C)(SC1CC1)c2ccccc2 62a_100000034625_100000211595 [0,0,1,1,0,0|2,0,0]=4 2002 B14R2.21287 CC(C)(c1ccccc1)N2CCC2 269982a_100000754969_100000034625 [0,0,1,1,0,0|2,0,0]=4 2003 B14R2.3328 CC(O[13CH3])(c1ccccc1)C2CC2 34a_100011216778_200025704644 [0,0,1,1,0,0|2,0,0]=4 2004 B14R2.3328 CC(O[13CH3])(c1ccccc1)C2CC2 7a_100011216778_200025704644 [0,0,1,1,0,0|2,0,0]=4 2005 B14R2.3328 COC(C)(c1ccccc1)C2CC2 34a_100011216778_200000210301 [0,0,1,1,0,0|2,0,0]=4 2006 B14R2.3328 COC(C)(c1ccccc1)C2CC2 7a_100011216778_200000210301 [0,0,1,1,0,0|2,0,0]=4 2007 B14R2.3459 CC1(CCCc2c1cccc2)O[13CH3] 34a_200011345745_200025704644 [0,0,1,1,0,0|2,0,0]=4 2008 B14R2.3459 CC1(CCCc2c1cccc2)O[13CH3] 7a_200011345745_200025704644 [0,0,1,1,0,0|2,0,0]=4 2009 B14R2.3459 COC1(CCCc2c1cccc2)C 34a_200011345745_200000210301 [0,0,1,1,0,0|2,0,0]=4 2010 B14R2.3459 COC1(CCCc2c1cccc2)C 7a_200011345745_200000210301 [0,0,1,1,0,0|2,0,0]=4 2011 B14R2.9718 CCOC1(CCc2c1cccc2)C 34a_100000685031_100000210202 [0,0,1,1,0,0|2,0,0]=4 2012 B14R2.9718 CCOC1(CCc2c1cccc2)C 7a_100000685031_100000210202 [0,0,1,1,0,0|2,0,0]=4 2013 B14R2.9726 CCNC1(CCC1)c2ccccc2 2230a_100000734848_100000210202 [0,0,1,1,0,0|2,0,0]=4 2014 B14R2.9726 CNCC1(CCC1)c2ccccc2 2230a_100000241340_200000210301 [0,0,1,1,0,0|2,0,0]=4 2015 B14R2.9726 CNCC1(CCC1)c2ccccc2 34a_100000241340_200000210301 [0,0,1,1,0,0|2,0,0]=4 2016 B14R2.9726 [13CH3]NCC1(CCC1)c2ccccc2 2230a_100000241340_200025704644 [0,0,1,1,0,0|2,0,0]=4 2017 B14R2.9726 [13CH3]NCC1(CCC1)c2ccccc2 34a_100000241340_200025704644 [0,0,1,1,0,0|2,0,0]=4 2018 B12R1.35 CCCOCC(N)c1cccs1 34a_100102422791_100000210303 [0,0,1,0,1,0|2,0,0]=4 2019 B12R2.2 C1=C(CCC1)c2ccccc2 271570a_100000089523_100000210277 [1,0,0,0,1,0|0,0,2]=4 2020 B14R1.158 CCCCCC(=O)Cc1ccccc1 1458a_100000212188_100015291786 [0,0,1,0,0,1|1,0,1]=4 2021 B14R1.158 CCCCCC(=O)Nc1ccccc1 11a_100000106764_100000212188 [0,0,1,0,0,1|1,0,1]=4 2022 B14R1.158 CCCCCC(=O)Nc1ccccc1 1626a_100000106764_100000212188 [0,0,1,0,0,1|1,0,1]=4 2023 B14R1.158 CCCCCC(=O)Nc1ccccc1 22a_100000106764_100000212188 [0,0,1,0,0,1|1,0,1]=4 2024 B14R1.158 CCCCCC(=O)Nc1ccccc1 527a_100000106764_100000212188 [0,0,1,0,0,1|1,0,1]=4 2025 B14R1.158 CCCCCC(C)Nc1ccccc1 34a_100000106764_200011218191 [0,0,1,0,0,1|1,0,0]=3 2026 B14R1.158 CCCCCC(C)Oc1ccccc1 34a_100000210340_200011218191 [0,0,1,0,0,1|1,0,0]=3 2027 B14R1.158 CCCCCC(C)Oc1ccccc1 7a_100000210340_200011218191 [0,0,1,0,0,1|1,0,0]=3 2028 B14R1.158 CCCCCC(C)Oc1cccnc1 34a_100000210849_200011218191 [0,0,1,0,0,1|2,0,0]=4 2029 B14R1.158 CCCCCC(C)Oc1cccnc1 7a_100000210849_200011218191 [0,0,1,0,0,1|2,0,0]=4 2030 B14R1.158 CCCCCC(C)Oc1ccncc1 34a_100000212176_200011218191 [0,0,1,0,0,1|2,0,0]=4 2031 B14R1.158 CCCCCC(C)Sc1ccccc1 62a_100000719477_200011218191 [0,0,1,0,0,1|1,0,0]=3 2032 B14R1.158 CCCCCC(C)Sc1ccccc1 62a_200011218191_100000041952 [0,0,1,0,0,1|1,0,0]=3 2033 B14R1.158 CCCCCC(C)Sc1ccccn1 62a_100011216584_200011218191 [0,0,1,0,0,1|2,0,0]=4 2034 B14R1.158 CCCCCC(C)Sc1ccccn1 62a_200011218191_100011216584 [0,0,1,0,0,1|2,0,0]=4 2035 B14R1.158 CCCCCC(C)Sc1cccnc1 62a_100000210063_200011218191 [0,0,1,0,0,1|2,0,0]=4 2036 B14R1.158 CCCCCC(C)Sc1cccnc1 62a_200011218191_100000210063 [0,0,1,0,0,1|2,0,0]=4 2037 B14R1.158 CCCCCC(C)Sc1ccncc1 62a_100000728582_200011218191 [0,0,1,0,0,1|2,0,0]=4 2038 B14R1.158 CCCCCC(C)Sc1ccncc1 62a_200011218191_100000728582 [0,0,1,0,0,1|2,0,0]=4 2039 B14R1.158 CCCCCN(C)Cc1ccccc1 2230a_100000186898_100000210326 [0,0,1,0,0,1|2,0,0]=4 2040 B14R1.158 CCCCCN(C)Cc1ccccc1 2230a_100000223495_100015291786 [0,0,1,0,0,1|2,0,0]=4 2041 B14R1.158 CCCCCN(C)Cc1ccccc1 269982a_100000186898_100000210215 [0,0,1,0,0,1|2,0,0]=4 2042 B14R1.158 CCCCCN(C)Cc1ccccc1 269982a_100000223495_100000211182 [0,0,1,0,0,1|2,0,0]=4 2043 B14R1.158 CCCCCN(C)Cc1ccccc1 270004a_100000223495_100015611070 [0,0,1,0,0,1|2,0,0]=4 2044 B14R1.158 CCCCNC(C)Cc1ccccc1 7a_106832991798_200011218536 [0,0,1,0,0,1|2,0,0]=4 2045 B14R1.158 CCCCOC(C)Cc1ccccc1 34a_100000210227_200011218536 [0,0,1,0,0,1|2,0,0]=4 2046 B14R1.158 CCCCOC(C)Cc1ccccc1 34a_100000748627_100000210210 [0,0,1,0,0,1|2,0,0]=4 2047 B14R1.158 CCCCOC(C)Cc1ccccc1 7a_100000210227_200011218536 [0,0,1,0,0,1|2,0,0]=4 2048 B14R1.158 CCCCOC(C)Cc1ccccc1 7a_100000748627_100000210211 [0,0,1,0,0,1|2,0,0]=4 2049 B14R1.158 CCCCSC(C)Cc1ccccc1 62a_100000210211_200011218536 [0,0,1,0,0,1|2,0,0]=4 2050 B14R1.158 CCCCSC(C)Cc1ccccc1 62a_200011218536_100000210210 [0,0,1,0,0,1|2,0,0]=4 2051 B14R1.158 CCCNCC(C)Oc1ccccc1 2230a_100000755676_100000210303 [0,0,1,0,0,1|2,0,0]=4 2052 B14R1.158 CCCNCC(C)Oc1ccccc1 34a_100000755676_100000210303 [0,0,1,0,0,1|2,0,0]=4 2053 B14R1.158 CCCNCC(O)Cc1ccccc1 2230a_100000752270_100000210303 [0,0,1,0,0,1|2,0,0]=4 2054 B14R1.158 CCCOCC(C)Cc1ccccc1 34a_100012125295_100000210303 [0,0,1,0,0,1|2,0,0]=4 2055 B14R1.158 CCCOCC(C)Cc1ccccc1 7a_100012125295_100000210303 [0,0,1,0,0,1|2,0,0]=4 2056 B14R1.158 CCCOCC(C)Oc1ccccc1 34a_200000036796_100000210303 [0,0,1,0,0,1|2,0,0]=4 2057 B14R1.158 CCCOCC(C)Oc1ccccc1 7a_200000036796_100000210303 [0,0,1,0,0,1|2,0,0]=4 2058 B14R1.158 CCCOCC(N)Cc1ccccc1 34a_100000739027_100000210303 [0,0,1,0,0,1|1,0,0]=3 2059 B14R1.158 CCCOC[C@@H](O)Cc1ccccc1 34a_100000210258_100000729385 [0,0,1,0,0,1|2,0,0]=4 2060 B14R1.158 CCCSC[C@@H](O)Cc1ccccc1 62a_100000210303_100000729385 [0,0,1,0,0,1|2,0,0]=4 2061 B14R1.158 CCCSC[C@@H](O)Cc1ccccc1 62a_100000729385_100000210303 [0,0,1,0,0,1|2,0,0]=4 2062 B14R1.158 CSCOCC(N)Cc1ccccc1 34a_100000739027_100011218213 [0,0,1,0,0,1|2,0,0]=4 2063 B14R1.158 NC(COCCF)Cc1ccccc1 34a_100000739027_100011217306 [0,0,1,0,0,1|2,0,0]=4 2064 B14R1.158 NC(COCCO)Cc1ccccc1 34a_100000739027_100000211926 [0,0,1,0,0,1|2,0,0]=4 2065 B14R1.4528 CCCOC(C)(C)Cc1ccccc1 7a_100011215222_100000210303 [0,0,1,0,0,1|2,0,0]=4 2066 B14R1.6710 CCCC(C)(CC)Oc1ccccc1 7a_100000210340_200000040151 [0,0,1,0,0,1|1,0,0]=3 2067 B14R1.6710 CCCC(C)(CC)Oc1cccnc1 7a_100000210849_200000040151 [0,0,1,0,0,1|2,0,0]=4 2068 B14R1.6710 CCCC(C)(CC)Sc1ccccc1 62a_100000719477_200000040151 [0,0,1,0,0,1|1,0,0]=3 2069 B14R1.6710 CCCC(C)(CC)Sc1ccccc1 62a_200000040151_100000041952 [0,0,1,0,0,1|1,0,0]=3 2070 B14R1.6710 CCCC(C)(CC)Sc1ccccn1 62a_100011216584_200000040151 [0,0,1,0,0,1|2,0,0]=4 2071 B14R1.6710 CCCC(C)(CC)Sc1ccccn1 62a_200000040151_100011216584 [0,0,1,0,0,1|2,0,0]=4 2072 B14R1.6710 CCCC(C)(CC)Sc1cccnc1 62a_100000210063_200000040151 [0,0,1,0,0,1|2,0,0]=4 2073 B14R1.6710 CCCC(C)(CC)Sc1cccnc1 62a_200000040151_100000210063 [0,0,1,0,0,1|2,0,0]=4 2074 B14R1.6710 CCCC(C)(CC)Sc1ccncc1 62a_100000728582_200000040151 [0,0,1,0,0,1|2,0,0]=4 2075 B14R1.6710 CCCC(C)(CC)Sc1ccncc1 62a_200000040151_100000728582 [0,0,1,0,0,1|2,0,0]=4 2076 B14R1.6710 CCOC(C)(CC)Cc1ccccc1 7a_100011346069_100000210202 [0,0,1,0,0,1|2,0,0]=4 2077 B14R2.6 C1=CC(CCC1)Oc2ccccc2 7a_100000210340_100000751183 [1,0,0,0,0,1|0,0,2]=4 2078 B14R2.6 C1=CC(CCC1)Sc2ccccc2 62a_100000719477_100000751183 [1,0,0,0,0,1|0,0,2]=4 2079 B14R2.6 C1=CC(CCC1)Sc2ccccc2 62a_100000751183_100000041952 [1,0,0,0,0,1|0,0,2]=4 2080 B14R2.6 c1cc(ccn1)OC2CCCCC2 34a_100000212176_100000210327 [1,0,0,0,0,1|1,0,0]=3 2081 B14R2.6 c1cc(ccn1)OC2CCCOC2 34a_100000212176_100000693364 [1,0,0,0,0,1|2,0,0]=4 2082 B14R2.6 c1cc(ccn1)OC2CCSCC2 34a_100000212176_100000069128 [1,0,0,0,0,1|2,0,0]=4 2083 B14R2.6 c1cc(ccn1)SC2CCCCC2 62a_100000210327_100000728582 [1,0,0,0,0,1|1,0,0]=3 2084 B14R2.6 c1cc(ccn1)SC2CCCCC2 62a_100000728582_100000210327 [1,0,0,0,0,1|1,0,0]=3 2085 B14R2.6 c1cc(ccn1)SC2CCCOC2 62a_100000728582_100000693364 [1,0,0,0,0,1|2,0,0]=4 2086 B14R2.6 c1cc(ccn1)SC2CCOCC2 62a_100000728582_100011324220 [1,0,0,0,0,1|2,0,0]=4 2087 B14R2.6 c1cc(ccn1)SC2CCSCC2 62a_100000728582_100000069128 [1,0,0,0,0,1|2,0,0]=4 2088 B14R2.6 c1cc(cnn1)OC2CCCCC2 34a_100015204005_100000210327 [1,0,0,0,0,1|2,0,0]=4 2089 B14R2.6 c1cc(cnn1)SC2CCCCC2 62a_100000210327_100000732662 [1,0,0,0,0,1|2,0,0]=4 2090 B14R2.6 c1cc(cnn1)SC2CCCCC2 62a_100000732662_100000210327 [1,0,0,0,0,1|2,0,0]=4 2091 B14R2.6 c1cc(ncn1)NC2CCCCC2 27a_100000182618_100000703185 [1,0,0,0,0,1|2,0,0]=4 2092 B14R2.6 c1cc(ncn1)SC2CCCCC2 62a_100000210327_100000703185 [1,0,0,0,0,1|2,0,0]=4 2093 B14R2.6 c1cc(ncn1)SC2CCCCC2 62a_100000703185_100000210327 [1,0,0,0,0,1|2,0,0]=4 2094 B14R2.6 c1ccc(cc1)CN2CCCOC2 2230a_100000131196_100015291786 [1,0,0,0,0,1|2,0,0]=4 2095 B14R2.6 c1ccc(cc1)CN2CCCOC2 269982a_100000131196_100000211182 [1,0,0,0,0,1|2,0,0]=4 2096 B14R2.6 c1ccc(cc1)CN2CCCOC2 270004a_100000131196_100015611070 [1,0,0,0,0,1|2,0,0]=4 2097 B14R2.6 c1ccc(cc1)CN2CCCOC2 34a_100000131196_100015291786 [1,0,0,0,0,1|2,0,0]=4 2098 B14R2.6 c1ccc(cc1)CN2CCOCC2 2230a_100015191051_100015291786 [1,0,0,0,0,1|2,0,0]=4 2099 B14R2.6 c1ccc(cc1)CN2CCOCC2 269982a_100015191051_100000211182 [1,0,0,0,0,1|2,0,0]=4 2100 B14R2.6 c1ccc(cc1)CN2CCOCC2 270004a_100015191051_100015611070 [1,0,0,0,0,1|2,0,0]=4 2101 B14R2.6 c1ccc(cc1)CN2CCOCC2 34a_100015191051_100015291786 [1,0,0,0,0,1|2,0,0]=4 2102 B14R2.6 c1ccc(cc1)CN2CCSCC2 2230a_100000737611_100015291786 [1,0,0,0,0,1|2,0,0]=4 2103 B14R2.6 c1ccc(cc1)CN2CCSCC2 269982a_100000737611_100000211182 [1,0,0,0,0,1|2,0,0]=4 2104 B14R2.6 c1ccc(cc1)CN2CCSCC2 270004a_100000737611_100015611070 [1,0,0,0,0,1|2,0,0]=4 2105 B14R2.6 c1ccc(cc1)NC2CCCCC2 34a_100000106764_100000210327 [1,0,0,0,0,1|0,0,0]=2 2106 B14R2.6 c1ccc(cc1)NC2CCCOC2 34a_100000106764_100000693364 [1,0,0,0,0,1|1,0,0]=3 2107 B14R2.6 c1ccc(cc1)NC2CCSCC2 34a_100000106764_100000069128 [1,0,0,0,0,1|1,0,0]=3 2108 B14R2.6 c1ccc(cc1)OC2CCCCC2 34a_100000210340_100000210327 [1,0,0,0,0,1|0,0,0]=2 2109 B14R2.6 c1ccc(cc1)OC2CCCCC2 7a_100000210340_100000210327 [1,0,0,0,0,1|0,0,0]=2 2110 B14R2.6 c1ccc(cc1)OC2CCCOC2 34a_100000210340_100000693364 [1,0,0,0,0,1|1,0,0]=3 2111 B14R2.6 c1ccc(cc1)OC2CCCOC2 7a_100000210340_100000693364 [1,0,0,0,0,1|1,0,0]=3 2112 B14R2.6 c1ccc(cc1)OC2CCOCC2 7a_100000210340_100000686592 [1,0,0,0,0,1|1,0,0]=3 2113 B14R2.6 c1ccc(cc1)OC2CCSCC2 34a_100000210340_100000069128 [1,0,0,0,0,1|1,0,0]=3 2114 B14R2.6 c1ccc(cc1)OC2CCSCC2 7a_100000210340_100011500858 [1,0,0,0,0,1|1,0,0]=3 2115 B14R2.6 c1ccc(cc1)SC2CCCCC2 62a_100000210327_100000041952 [1,0,0,0,0,1|0,0,0]=2 2116 B14R2.6 c1ccc(cc1)SC2CCCCC2 62a_100000719477_100000210327 [1,0,0,0,0,1|0,0,0]=2 2117 B14R2.6 c1ccc(cc1)SC2CCCOC2 62a_100000719477_100000693364 [1,0,0,0,0,1|1,0,0]=3 2118 B14R2.6 c1ccc(cc1)SC2CCOCC2 62a_100000719477_100011324220 [1,0,0,0,0,1|1,0,0]=3 2119 B14R2.6 c1ccc(cc1)SC2CCSCC2 62a_100000719477_100000069128 [1,0,0,0,0,1|1,0,0]=3 2120 B14R2.6 c1ccc(nc1)SC2CCCCC2 62a_100000210327_100011216584 [1,0,0,0,0,1|1,0,0]=3 2121 B14R2.6 c1ccc(nc1)SC2CCCCC2 62a_100011216584_100000210327 [1,0,0,0,0,1|1,0,0]=3 2122 B14R2.6 c1ccc(nc1)SC2CCCOC2 62a_100011216584_100000693364 [1,0,0,0,0,1|2,0,0]=4 2123 B14R2.6 c1ccc(nc1)SC2CCOCC2 62a_100011216584_100011324220 [1,0,0,0,0,1|2,0,0]=4 2124 B14R2.6 c1ccc(nc1)SC2CCSCC2 62a_100011216584_100000069128 [1,0,0,0,0,1|2,0,0]=4 2125 B14R2.6 c1cnc(cn1)NC2CCCCC2 27a_100000182618_100000211759 [1,0,0,0,0,1|2,0,0]=4 2126 B14R2.6 c1cnc(cn1)SC2CCCCC2 62a_100000210327_100000211759 [1,0,0,0,0,1|2,0,0]=4 2127 B14R2.6 c1cnc(cn1)SC2CCCCC2 62a_100000211759_100000210327 [1,0,0,0,0,1|2,0,0]=4 2128 B14R2.6 c1cnc(nc1)NC2CCCCC2 27a_100000182618_100000211032 [1,0,0,0,0,1|2,0,0]=4 2129 B14R2.6 c1cnc(nc1)SC2CCCCC2 62a_100000210327_100000211032 [1,0,0,0,0,1|2,0,0]=4 2130 B14R2.6 c1cnc(nc1)SC2CCCCC2 62a_100000211032_100000210327 [1,0,0,0,0,1|2,0,0]=4 2131 B14R2.6 c1cncc(c1)OC2CCCCC2 34a_100000210849_100000210327 [1,0,0,0,0,1|1,0,0]=3 2132 B14R2.6 c1cncc(c1)OC2CCCCC2 7a_100000210849_100000210327 [1,0,0,0,0,1|1,0,0]=3 2133 B14R2.6 c1cncc(c1)OC2CCCOC2 34a_100000210849_100000693364 [1,0,0,0,0,1|2,0,0]=4 2134 B14R2.6 c1cncc(c1)OC2CCCOC2 7a_100000210849_100000693364 [1,0,0,0,0,1|2,0,0]=4 2135 B14R2.6 c1cncc(c1)OC2CCOCC2 7a_100000210849_100000686592 [1,0,0,0,0,1|2,0,0]=4 2136 B14R2.6 c1cncc(c1)OC2CCSCC2 34a_100000210849_100000069128 [1,0,0,0,0,1|2,0,0]=4 2137 B14R2.6 c1cncc(c1)OC2CCSCC2 7a_100000210849_100011500858 [1,0,0,0,0,1|2,0,0]=4 2138 B14R2.6 c1cncc(c1)SC2CCCCC2 62a_100000210063_100000210327 [1,0,0,0,0,1|1,0,0]=3 2139 B14R2.6 c1cncc(c1)SC2CCCCC2 62a_100000210327_100000210063 [1,0,0,0,0,1|1,0,0]=3 2140 B14R2.6 c1cncc(c1)SC2CCCOC2 62a_100000210063_100000693364 [1,0,0,0,0,1|2,0,0]=4 2141 B14R2.6 c1cncc(c1)SC2CCOCC2 62a_100000210063_100011324220 [1,0,0,0,0,1|2,0,0]=4 2142 B14R2.6 c1cncc(c1)SC2CCSCC2 62a_100000210063_100000069128 [1,0,0,0,0,1|2,0,0]=4 2143 B14R2.6 c1cnnc(c1)NC2CCCCC2 27a_100000182618_100016991348 [1,0,0,0,0,1|2,0,0]=4 2144 B14R2.6 c1cnnc(c1)SC2CCCCC2 62a_100000210327_100016991348 [1,0,0,0,0,1|2,0,0]=4 2145 B14R2.6 c1cnnc(c1)SC2CCCCC2 62a_100016991348_100000210327 [1,0,0,0,0,1|2,0,0]=4 2146 B14R2.6 c1ncc(cn1)OC2CCCCC2 7a_100000754086_100000210327 [1,0,0,0,0,1|2,0,0]=4 2147 B14R2.6 c1ncc(cn1)SC2CCCCC2 62a_100000210327_100011206942 [1,0,0,0,0,1|2,0,0]=4 2148 B14R2.6 c1ncc(cn1)SC2CCCCC2 62a_100011206942_100000210327 [1,0,0,0,0,1|2,0,0]=4 2149 B16R2.14961 CC1(CCCCC1)NCc2ccccc2 207a_100000741114_100015611070 [0,0,0,0,0,2|1,0,0]=3 2150 B16R2.14961 CC1(CCCCC1)NCc2ccccc2 2230a_100000741114_100015291786 [0,0,0,0,0,2|1,0,0]=3 2151 B16R2.14961 CC1(CCCCC1)NCc2ccccc2 270004a_100000741114_100015611070 [0,0,0,0,0,2|1,0,0]=3 2152 B16R2.14961 CC1(CCCCC1)NCc2ccccc2 34a_100000741114_100015291786 [0,0,0,0,0,2|1,0,0]=3 2153 B16R2.14961 CC1(CCCCC1)NCc2ccccn2 207a_100000741114_100000209966 [0,0,0,0,0,2|2,0,0]=4 2154 B16R2.14961 CC1(CCCCC1)NCc2ccccn2 2230a_100000741114_100000721315 [0,0,0,0,0,2|2,0,0]=4 2155 B16R2.14961 CC1(CCCCC1)NCc2ccccn2 270004a_100000741114_100000209966 [0,0,0,0,0,2|2,0,0]=4 2156 B16R2.14961 CC1(CCCCC1)NCc2ccccn2 34a_100000741114_100000721315 [0,0,0,0,0,2|2,0,0]=4 2157 B16R2.14961 CC1(CCCCC1)NCc2cccnc2 207a_100000741114_100000209961 [0,0,0,0,0,2|2,0,0]=4 2158 B16R2.14961 CC1(CCCCC1)NCc2cccnc2 2230a_100000741114_100000741622 [0,0,0,0,0,2|2,0,0]=4 2159 B16R2.14961 CC1(CCCCC1)NCc2cccnc2 270004a_100000741114_100000209961 [0,0,0,0,0,2|2,0,0]=4 2160 B16R2.14961 CC1(CCCCC1)NCc2cccnc2 34a_100000741114_100000733263 [0,0,0,0,0,2|2,0,0]=4 2161 B16R2.14961 CC1(CCCCC1)NCc2ccncc2 207a_100000741114_100000186114 [0,0,0,0,0,2|2,0,0]=4 2162 B16R2.14961 CC1(CCCCC1)NCc2ccncc2 2230a_100000741114_100015193705 [0,0,0,0,0,2|2,0,0]=4 2163 B16R2.14961 CC1(CCCCC1)OCc2ccccc2 34a_100011215885_100015291786 [0,0,0,0,0,2|1,0,0]=3 2164 B16R2.14961 CC1(CCCCC1)OCc2ccccc2 7a_100011215885_100000211182 [0,0,0,0,0,2|1,0,0]=3 2165 B16R2.14961 CC1(CCCCC1)OCc2ccccn2 34a_100011215885_100000721315 [0,0,0,0,0,2|2,0,0]=4 2166 B16R2.14961 CC1(CCCCC1)OCc2ccccn2 7a_100011215885_100000721315 [0,0,0,0,0,2|2,0,0]=4 2167 B16R2.14961 CC1(CCCCC1)OCc2cccnc2 34a_100011215885_100000733263 [0,0,0,0,0,2|2,0,0]=4 2168 B16R2.14961 CC1(CCCCC1)OCc2cccnc2 7a_100011215885_100000741622 [0,0,0,0,0,2|2,0,0]=4 2169 B16R2.14961 CC1(CCCCC1)OCc2ccncc2 7a_100011215885_100015193705 [0,0,0,0,0,2|2,0,0]=4 2170 B16R2.14961 CC1(CCOCC1)NCc2ccccc2 207a_100000692449_100015611070 [0,0,0,0,0,2|2,0,0]=4 2171 B16R2.14961 CC1(CCOCC1)NCc2ccccc2 2230a_100000692449_100015291786 [0,0,0,0,0,2|2,0,0]=4 2172 B16R2.14961 CC1(CCOCC1)NCc2ccccc2 270004a_100000692449_100015611070 [0,0,0,0,0,2|2,0,0]=4 2173 B16R2.14961 CC1(CCOCC1)NCc2ccccc2 34a_100000692449_100015291786 [0,0,0,0,0,2|2,0,0]=4 2174 B16R2.14961 CC1(CCOCC1)OCc2ccccc2 34a_100011827762_100015291786 [0,0,0,0,0,2|2,0,0]=4 2175 B16R2.14961 CC1(CCOCC1)OCc2ccccc2 7a_100011827762_100000211182 [0,0,0,0,0,2|2,0,0]=4 2176 B16R2.14961 CC1(CCSCC1)OCc2ccccc2 34a_200011004327_100015291786 [0,0,0,0,0,2|2,0,0]=4 2177 B16R2.14961 CC1(CCSCC1)OCc2ccccc2 7a_200011004327_100000211182 [0,0,0,0,0,2|2,0,0]=4