0 B17R3.51102 CN1C[C@@H]2C[C@H](C1)c3cccc(=O)n3C2 2230a_100015183069_200000210301 [0,1,0,0,0,0|0,0,0]=1 1 B17R3.51102 CN1C[C@@H]2C[C@H](C1)c3cccc(=O)n3C2 269982a_100015183069_200000210301 [0,1,0,0,0,0|0,0,0]=1 2 B17R3.51102 [13CH3]N1C[C@@H]2C[C@H](C1)c3cccc(=O)n3C2 2230a_100015183069_200025704644 [0,1,0,0,0,0|0,0,0]=1 3 B17R3.51102 [13CH3]N1C[C@@H]2C[C@H](C1)c3cccc(=O)n3C2 269982a_100015183069_200025704644 [0,1,0,0,0,0|0,0,0]=1 4 B15R2.32 Cn1c(cccc1=O)C2=CCCCC2 271570a_100000062251_100000726605 [0,0,1,0,0,0|1,0,2]=4 5 B15R2.32 Cn1c(cccc1=O)C2=COCCC2 271570a_100010175576_100000726605 [0,0,1,0,0,0|1,0,2]=4 6 B14R2.1078 CNC1CCCc2c1cccc2Br 2230a_100020639248_200000210301 [1,0,1,0,0,0|2,0,0]=4 7 B14R2.1078 CNC1CCCc2c1cccc2Br 269862a_106832991636_100000691372 [1,0,1,0,0,0|2,0,0]=4 8 B14R2.1078 CNC1CCCc2c1cccc2Br 34a_100020639248_200000210301 [1,0,1,0,0,0|2,0,0]=4 9 B14R2.1078 CNC1CCCc2c1cccc2Cl 269862a_106832991636_100000063505 [1,0,1,0,0,0|2,0,0]=4 10 B14R2.1078 CNC1CCCc2c1cccc2F 2230a_100000085590_200000210301 [1,0,1,0,0,0|2,0,0]=4 11 B14R2.1078 CNC1CCCc2c1cccc2F 269862a_106832991636_100000087435 [1,0,1,0,0,0|2,0,0]=4 12 B14R2.1078 CNC1CCCc2c1cccc2F 34a_100000085590_200000210301 [1,0,1,0,0,0|2,0,0]=4 13 B14R2.1078 CNC1CCCc2c1cccc2O 269862a_106832991636_100000763485 [1,0,1,0,0,0|1,0,1]=4 14 B14R2.1078 CN[C@@H]1CCCc2c1cccc2Cl 2230a_100025717364_200000210301 [1,0,1,0,0,0|2,0,0]=4 15 B14R2.1078 CN[C@@H]1CCCc2c1cccc2Cl 34a_100025717364_200000210301 [1,0,1,0,0,0|2,0,0]=4 16 B14R2.1078 [13CH3]NC1CCCc2c1cccc2Br 2230a_100020639248_200025704644 [1,0,1,0,0,0|2,0,0]=4 17 B14R2.1078 [13CH3]NC1CCCc2c1cccc2Br 34a_100020639248_200025704644 [1,0,1,0,0,0|2,0,0]=4 18 B14R2.1078 [13CH3]NC1CCCc2c1cccc2F 2230a_100000085590_200025704644 [1,0,1,0,0,0|2,0,0]=4 19 B14R2.1078 [13CH3]NC1CCCc2c1cccc2F 34a_100000085590_200025704644 [1,0,1,0,0,0|2,0,0]=4 20 B14R2.1078 [13CH3]N[C@@H]1CCCc2c1cccc2Cl 2230a_100025717364_200025704644 [1,0,1,0,0,0|2,0,0]=4 21 B14R2.1078 [13CH3]N[C@@H]1CCCc2c1cccc2Cl 34a_100025717364_200025704644 [1,0,1,0,0,0|2,0,0]=4 22 B14R2.7150 CNCC1OCCc2c1cccc2 2230a_100000755408_200000210301 [1,0,1,0,0,0|2,0,0]=4 23 B14R2.7150 CNCC1OCCc2c1cccc2 34a_100000755408_200000210301 [1,0,1,0,0,0|2,0,0]=4 24 B14R2.7150 [13CH3]NCC1OCCc2c1cccc2 2230a_100000755408_200025704644 [1,0,1,0,0,0|2,0,0]=4 25 B14R2.7150 [13CH3]NCC1OCCc2c1cccc2 34a_100000755408_200025704644 [1,0,1,0,0,0|2,0,0]=4 26 B14R2.112 CNCC1CCc2ccccc2O1 2230a_100102422350_200000210301 [1,0,1,0,0,0|2,0,0]=4 27 B14R2.112 CNCC1CCc2ccccc2O1 34a_100102422350_200000210301 [1,0,1,0,0,0|2,0,0]=4 28 B14R2.112 CNCC1COc2ccccc2C1 2230a_100000703909_200000210301 [1,0,1,0,0,0|2,0,0]=4 29 B14R2.112 CNCC1COc2ccccc2C1 34a_100000703909_200000210301 [1,0,1,0,0,0|2,0,0]=4 30 B14R2.112 [13CH3]NCC1CCc2ccccc2O1 2230a_100102422350_200025704644 [1,0,1,0,0,0|2,0,0]=4 31 B14R2.112 [13CH3]NCC1CCc2ccccc2O1 34a_100102422350_200025704644 [1,0,1,0,0,0|2,0,0]=4 32 B14R2.112 [13CH3]NCC1COc2ccccc2C1 2230a_100000703909_200025704644 [1,0,1,0,0,0|2,0,0]=4 33 B14R2.112 [13CH3]NCC1COc2ccccc2C1 34a_100000703909_200025704644 [1,0,1,0,0,0|2,0,0]=4 34 B14R2.142 CNC1CCc2cccc(c2C1)Br 270004a_106832991635_100010006498 [1,0,1,0,0,0|2,0,0]=4 35 B18R3.666 CCN1C[C@@H]2C[C@H](C1)c3cccc(=O)n3C2 2230a_100015183069_100000210202 [0,2,0,0,0,0|0,0,0]=2 36 B18R3.666 CCN1C[C@@H]2C[C@H](C1)c3cccc(=O)n3C2 269982a_100015183069_100000204670 [0,2,0,0,0,0|0,0,0]=2 37 B18R3.666 O=c1cccc2n1C[C@H]3C[C@@H]2CN(C3)CF 269982a_100015183069_100015361967 [0,2,0,0,0,0|0,0,0]=2 38 B14R1.32 CCCC(C)COc1cccc(=O)[nH]1 34a_100000033347_100011216630 [0,0,2,0,0,0|2,0,0]=4 39 B14R1.32 CCCC(C)CSc1cccc(=O)[nH]1 62a_100011216630_100000752884 [0,0,2,0,0,0|2,0,0]=4 40 B14R1.32 CCCC(C)NCc1cccc(=O)[nH]1 207a_100000741246_100011935257 [0,0,2,0,0,0|2,0,0]=4 41 B14R1.32 CCCC(C)NCc1cccc(=O)[nH]1 2230a_100000696482_100000766640 [0,0,2,0,0,0|2,0,0]=4 42 B14R1.32 COCC(C)NCc1cccc(=O)[nH]1 2230a_100000696482_100000765312 [0,0,2,0,0,0|2,0,0]=4 43 B14R1.32 COC[C@@H](C)NCc1cccc(=O)[nH]1 207a_100000764878_100011935257 [0,0,2,0,0,0|2,0,0]=4 44 B14R1.148 CC(C)CCCOc1cccc(=O)[nH]1 34a_100000033347_100011214892 [0,0,2,0,0,0|2,0,0]=4 45 B14R1.148 CC(C)CCCSc1cccc(=O)[nH]1 62a_100011214892_100000752884 [0,0,2,0,0,0|2,0,0]=4 46 B14R1.148 CC(C)CCNCc1cccc(=O)[nH]1 207a_100000210545_100011935257 [0,0,2,0,0,0|2,0,0]=4 47 B14R1.148 CC(C)CCNCc1cccc(=O)[nH]1 2230a_100000696482_100000210312 [0,0,2,0,0,0|2,0,0]=4 48 B14R1.148 CC(C)CNCCc1cccc(c1)Br 2230a_100000210953_100011740638 [0,0,2,0,0,0|2,0,0]=4 49 B14R1.148 CC(C)CNCCc1cccc(c1)Br 2230a_100011207229_100000210760 [0,0,2,0,0,0|2,0,0]=4 50 B14R1.148 CC(C)CNCCc1cccc(c1)Br 270004a_100011207229_100000210432 [0,0,2,0,0,0|2,0,0]=4 51 B14R1.148 CC(C)CNCCc1cccc(c1)Br 34a_100000210953_100011740638 [0,0,2,0,0,0|2,0,0]=4 52 B14R1.148 CC(C)CNCCc1cccc(c1)Br 34a_100011207229_100000210624 [0,0,2,0,0,0|2,0,0]=4 53 B14R1.148 CC(C)CNCCc1cccc(c1)Cl 2230a_100000185263_100000210760 [0,0,2,0,0,0|2,0,0]=4 54 B14R1.148 CC(C)CNCCc1cccc(c1)Cl 2230a_100000210953_100011713710 [0,0,2,0,0,0|2,0,0]=4 55 B14R1.148 CC(C)CNCCc1cccc(c1)Cl 270004a_100000185263_100000210432 [0,0,2,0,0,0|2,0,0]=4 56 B14R1.148 CC(C)CNCCc1cccc(c1)Cl 34a_100000185263_100000210624 [0,0,2,0,0,0|2,0,0]=4 57 B14R1.148 CC(C)CNCCc1cccc(c1)Cl 34a_100000210953_100011713710 [0,0,2,0,0,0|2,0,0]=4 58 B14R1.148 CC(C)CNCCc1cccc(c1)F 2230a_100000205154_100000210760 [0,0,2,0,0,0|2,0,0]=4 59 B14R1.148 CC(C)CNCCc1cccc(c1)F 2230a_100000210953_100011217235 [0,0,2,0,0,0|2,0,0]=4 60 B14R1.148 CC(C)CNCCc1cccc(c1)F 270004a_100000205154_100000210432 [0,0,2,0,0,0|2,0,0]=4 61 B14R1.148 CC(C)CNCCc1cccc(c1)F 34a_100000205154_100000210624 [0,0,2,0,0,0|2,0,0]=4 62 B14R1.148 CC(C)CNCCc1cccc(c1)F 34a_100000210953_100011217235 [0,0,2,0,0,0|2,0,0]=4 63 B14R1.148 CC(C)CNCCc1cccc(c1)O 2230a_100000747277_100000210760 [0,0,2,0,0,0|1,0,1]=4 64 B14R1.148 CC(C)CNCCc1cccc(c1)O 34a_100000747277_100000210624 [0,0,2,0,0,0|1,0,1]=4 65 B14R1.148 Cc1cccc(c1)CCNCC(C)C 2230a_100000210953_100011713685 [0,0,2,0,0,0|2,0,0]=4 66 B14R1.148 Cc1cccc(c1)CCNCC(C)C 2230a_100000749837_100000210760 [0,0,2,0,0,0|2,0,0]=4 67 B14R1.148 Cc1cccc(c1)CCNCC(C)C 270004a_100000749837_100000210432 [0,0,2,0,0,0|2,0,0]=4 68 B14R1.148 Cc1cccc(c1)CCNCC(C)C 34a_100000210953_100011713685 [0,0,2,0,0,0|2,0,0]=4 69 B14R1.148 Cc1cccc(c1)CCNCC(C)C 34a_100000749837_100000210624 [0,0,2,0,0,0|2,0,0]=4 70 B14R1.148 Cc1cccc(n1)CCNCC(C)C 2230a_100011824523_100000210760 [0,0,2,0,0,0|1,0,1]=4 71 B14R1.148 Cc1cccc(n1)CCNCC(C)C 270004a_100011824523_100000210432 [0,0,2,0,0,0|1,0,1]=4 72 B14R1.148 Cc1cccc(n1)CCNCC(C)C 34a_100011824523_100000210624 [0,0,2,0,0,0|1,0,1]=4 73 B14R1.9 CCCCCSc1cccc(=O)n1C 62a_100000210326_100000726605 [0,0,2,0,0,0|2,0,0]=4 74 B14R1.9 CCCCCSc1cccc(=O)n1C 62a_100000726605_100000210326 [0,0,2,0,0,0|2,0,0]=4 75 B14R1.9 CCCNCCc1cccc(c1C)Br 2230a_100161000114_100000210303 [0,0,2,0,0,0|2,0,0]=4 76 B14R1.9 CCCNCCc1cccc(c1C)Br 34a_100161000114_100000210303 [0,0,2,0,0,0|2,0,0]=4 77 B14R1.9 COCCCSc1cccc(=O)n1C 62a_100000709357_100000726605 [0,0,2,0,0,0|2,0,0]=4 78 B14R1.9 COCCCSc1cccc(=O)n1C 62a_100000726605_100000709357 [0,0,2,0,0,0|2,0,0]=4 79 B14R1.156 C=CC=CC(=O)CCC1CCCCC1 1458a_100016291481_100011273959 [0,0,2,0,0,0|2,0,0]=4 80 B14R1.156 C=CC=CC(=O)NCC1CCCCC1 1626a_100000210473_100016291481 [0,0,2,0,0,0|1,0,0]=3 81 B14R1.156 C=CC=CC(=O)NCC1CCCCO1 1626a_100000174945_100016291481 [0,0,2,0,0,0|2,0,0]=4 82 B14R1.156 C=CC=CC(=O)NCC1CCCOC1 1626a_100000720124_100016291481 [0,0,2,0,0,0|1,0,0]=3 83 B14R1.156 C=CC=CC(=O)NCC1CCOCC1 1626a_100000746373_100016291481 [0,0,2,0,0,0|2,0,0]=4 84 B14R1.156 C=CC=CC(=O)NC[C@H]1COCCO1 1626a_100010981119_100016291481 [0,0,2,0,0,0|2,0,0]=4 85 B14R1.156 C=CC=CC(=O)NNC1CCCCC1 22a_100000709804_100016291481 [0,0,2,0,0,0|2,0,0]=4 86 B14R1.882 CCCCNCCn1ccccc1=O 2230a_100000687133_100000210211 [0,0,2,0,0,0|2,0,0]=4 87 B14R1.882 CCCNCCCc1ccccc1F 2230a_100000724733_100000210303 [0,0,2,0,0,0|2,0,0]=4 88 B14R1.882 CCCNCCCc1ccccc1F 34a_100000724733_100000210303 [0,0,2,0,0,0|2,0,0]=4 89 B14R1.882 COCCNCCn1ccccc1=O 2230a_100000687133_100011201679 [0,0,2,0,0,0|2,0,0]=4 90 B14R1.882 CSCCNCCn1ccccc1=O 2230a_100000687133_100000751147 [0,0,2,0,0,0|2,0,0]=4 91 B14R2.23 Cn1c(cccc1=O)C2=CCCC2 271570a_100000089523_100000726605 [0,0,1,0,1,0|0,0,2]=4 92 B16R2.11935 Cn1c(cccc1=O)C2=CCCCCC2 271570a_200009888920_100000726605 [0,0,1,0,0,1|1,0,1]=4