0 B17R2.24824 CC1(CNCC1)c2cccc(c2)C(F)(F)F 1P01BBKO [0,0,0,0,0,0|0,0,0]=0 1 B17R2.24824 FC1(CNCC1)c2cccc(c2)C(F)(F)F 1P01B9GG [0,0,0,0,0,0|1,0,0]=1 2 B17R2.24824 OC1(CNCC1)c2cccc(c2)C(F)(F)F 1P01DWA8 [0,0,0,0,0,0|1,0,0]=1 3 B16R2.2311 CC(c1cccc(c1)C2CNCC2)(C)C 1P028X5R [1,0,0,0,0,0|3,0,0]=4 4 B16R2.2311 FC(c1cccc(c1)C2CCCN2)(F)F 1P0083A8 [1,0,0,0,0,0|2,0,0]=3 5 B16R2.2311 FC(c1cccc(c1)C2CCCN2)(F)F 1P00HFKN [1,0,0,0,0,0|2,0,0]=3 6 B16R2.2311 FC(c1cccc(c1)C2CNCC2)(F)F 1P007PNG [1,0,0,0,0,0|0,0,0]=1 7 B16R2.2311 FC(c1cccc(n1)C2CNCC2)(F)F 1P01C1SV [1,0,0,0,0,0|1,0,0]=2 8 B16R2.2311 FC(c1cccc(n1)C2CNCC2)(F)F 1P027WT3 [1,0,0,0,0,0|1,0,0]=2 9 B16R2.2311 FC(c1ccnc(c1)C2CNCC2)(F)F 1P01AV96 [1,0,0,0,0,0|1,0,0]=2 10 B16R2.2311 FC(c1ccnc(n1)C2CNCC2)(F)F 1P01EI9Y [1,0,0,0,0,0|2,0,0]=3 11 B18R2.136621 NCC1(CCCC1)c2cccc(c2)C(F)(F)F 1P00HDF7 [0,1,0,0,0,0|1,0,0]=2 12 B16R1.1487 COCCC(c1cccc(c1)C(F)(F)F)N 1P01AV58 [0,0,1,0,0,0|2,0,0]=3 13 B16R1.3118 CCP(=O)(c1cccc(c1)C(F)(F)F)CC 1P028L90 [0,0,1,0,0,0|3,0,0]=4 14 B16R2.14789 FC(c1ccnc(n1)C2(N)CCC2)(F)F 1P01FKKP [0,0,0,0,1,0|3,0,0]=4 15 B16R2.14789 NC1(CCC1)c2cccc(c2)C(F)(F)F 1P00HBXN [0,0,0,0,1,0|1,0,0]=2 16 B16R2.14789 NC1(COC1)c2cccc(c2)C(F)(F)F 1P00HUAH [0,0,0,0,1,0|2,0,0]=3 17 B16R2.14789 OC1(CNC1)c2cccc(c2)C(F)(F)F 1P01JUU9 [0,0,0,0,1,0|1,0,0]=2 18 B18R2.40330 FC(Oc1cccc(c1)C2(F)CCNC2)(F)F 1P01B8YO [0,0,0,0,0,1|1,0,0]=2 19 B18R2.309045 CC1(CCNCC1)c2cccc(c2)C(F)(F)F 1P028WQF [0,0,0,0,0,1|0,0,0]=1 20 B18R2.309045 FC1(CCNCC1)c2cccc(c2)C(F)(F)F 1P01B93Z [0,0,0,0,0,1|1,0,0]=2 21 B18R2.309045 NC1(CCCCC1)c2cccc(c2)C(F)(F)F 1P019SI4 [0,0,0,0,0,1|2,0,0]=3 22 B18R2.309045 NC1(CCOCC1)c2cccc(c2)C(F)(F)F 1P01BFH6 [0,0,0,0,0,1|2,0,0]=3 23 B18R2.309045 OC1(CCNCC1)c2cccc(c2)C(F)(F)F 1P001YHN [0,0,0,0,0,1|1,0,0]=2 24 B18R2.309045 OC1(CCNCC1)c2cccc(c2)C(F)(F)F 1P003L1S [0,0,0,0,0,1|1,0,0]=2 25 B18R2.335555 CC1(CCCN1)Cc2cccc(c2)C(F)(F)F 1P01B5ZZ [0,0,0,0,0,1|2,0,0]=3 26 B15R1.800 CCCC(=O)c1cccc(c1)C(F)(F)F 1P00ACOT [1,0,1,0,0,0|1,0,1]=4 27 B15R1.800 CCCC(c1cccc(c1)C(F)(F)F)N 1P01A9ZU [1,0,1,0,0,0|1,0,0]=3 28 B15R1.800 CCNC(c1cccc(c1)C(F)(F)F)C 1P01AJQG [1,0,1,0,0,0|0,0,0]=2 29 B15R1.800 COCC(c1cccc(c1)C(F)(F)F)N 1P01AJRX [1,0,1,0,0,0|2,0,0]=4 30 B15R1.800 CONC(c1cccc(c1)C(F)(F)F)C 1P01B64N [1,0,1,0,0,0|1,0,0]=3 31 B15R1.800 NCCC(c1cccc(c1)C(F)(F)F)C 1P019TR1 [1,0,1,0,0,0|0,0,0]=2 32 B15R1.800 OCCC(c1cccc(c1)C(F)(F)F)N 1P00INS2 [1,0,1,0,0,0|2,0,0]=4 33 B15R1.1183 BrCCCCc1cccc(c1)C(F)(F)F 1P01JMO6 [1,0,1,0,0,0|2,0,0]=4 34 B15R1.1183 N#CCCCc1cccc(c1)C(F)(F)F 1P01ACIX [1,0,1,0,0,0|2,0,0]=4 35 B15R1.1183 O=CCCCc1cccc(c1)C(F)(F)F 1P01ACHL [1,0,1,0,0,0|2,0,0]=4 36 B15R1.1183 OCCCCc1cccc(c1)C(F)(F)F 1P01A777 [1,0,1,0,0,0|2,0,0]=4 37 B15R1.332 N#CC(c1cccc(c1)C(F)(F)F)(C)C 1P00IGA4 [1,0,1,0,0,0|0,0,2]=4 38 B15R1.332 NCC(c1cccc(c1)C(F)(F)F)(C)C 1P01AA96 [1,0,1,0,0,0|0,0,0]=2 39 B15R1.332 NCC(c1cccc(n1)C(F)(F)F)(C)C 1P01OTL9 [1,0,1,0,0,0|1,0,0]=3 40 B15R1.332 NCC(c1nccc(c1)C(F)(F)F)(C)C 1P028W4P [1,0,1,0,0,0|1,0,0]=3 41 B15R1.332 OCC(c1cccc(c1)C(F)(F)F)(N)C 1P01AAYH [1,0,1,0,0,0|1,0,0]=3 42 B15R1.332 OCC(c1cccc(c1)C(F)(F)F)(N)C 1P01B7SG [1,0,1,0,0,0|1,0,0]=3 43 B15R2.4746 CCc1cccc(c1)C2(F)CNCC2 1P01B9AT [2,0,0,0,0,0|2,0,0]=4 44 B15R2.4746 COc1cccc(c1)C2(C)CNCC2 1P01B2GK [2,0,0,0,0,0|2,0,0]=4 45 B15R2.4746 COc1cccc(c1)C2(C)CNCC2 1P01B6QN [2,0,0,0,0,0|2,0,0]=4 46 B17R1.1879 COCCNC(c1cccc(c1)C(F)(F)F)C 1P019M8R [0,1,1,0,0,0|1,0,0]=3 47 B17R2.333 Fc1ccc(cc1C2CNCC2)C(F)(F)F 1P027XPL [1,1,0,0,0,0|0,0,0]=2 48 B17R2.338 Fc1ccc(cc1C(F)(F)F)C2CCCN2 1P01BVIK [1,1,0,0,0,0|2,0,0]=4 49 B17R2.3261 O=C1NCC(C1)c2cccc(c2)C(F)(F)F 1P01A71W [1,1,0,0,0,0|0,0,1]=3 50 B17R2.3261 O=C1NCC(O1)c2cccc(c2)C(F)(F)F 1P01B96Y [1,1,0,0,0,0|1,0,1]=4 51 B17R2.3261 OC1CNC(C1)c2cccc(c2)C(F)(F)F 1P01A2IK [1,1,0,0,0,0|2,0,0]=4 52 B17R2.3889 CC1NCCC1c2cccc(c2)C(F)(F)F 1P028XZP [1,1,0,0,0,0|0,0,0]=2 53 B17R2.3889 NC1CCCC1c2cccc(c2)C(F)(F)F 1P01B9TQ [1,1,0,0,0,0|1,0,0]=3 54 B17R2.3889 O=C1CCCC1c2cccc(c2)C(F)(F)F 1P01B98B [1,1,0,0,0,0|1,0,1]=4 55 B17R2.3889 O=C1NCCC1c2cccc(c2)C(F)(F)F 1P01BHRZ [1,1,0,0,0,0|0,0,1]=3 56 B17R2.3889 O=C1NCCN1c2cccc(c2)C(F)(F)F 1P01BVCC [1,1,0,0,0,0|1,0,1]=4 57 B17R2.22494 Fc1c(cccc1C(F)(F)F)C2CCCN2 1P01FKHL [1,1,0,0,0,0|2,0,0]=4 58 B17R2.81455 N#CC1(CCC1)c2cccc(c2)C(F)(F)F 1P00BJDJ [0,1,0,0,1,0|0,0,1]=3 59 B17R2.81455 NCC1(CCC1)c2cccc(c2)C(F)(F)F 1P019RAV [0,1,0,0,1,0|0,0,0]=2 60 B17R2.81455 NCC1(CCC1)c2cccc(n2)C(F)(F)F 1P028BW9 [0,1,0,0,1,0|1,0,0]=3 61 B19R2.319501 N#CC1(CCCCC1)c2cccc(c2)C(F)(F)F 1P019QPW [0,1,0,0,0,1|1,0,1]=4 62 B19R2.319501 N#CC1(CCOCC1)c2cccc(c2)C(F)(F)F 1P00HAK1 [0,1,0,0,0,1|1,0,1]=4 63 B19R2.319501 NCC1(CCCCC1)c2cccc(c2)C(F)(F)F 1P019RAU [0,1,0,0,0,1|1,0,0]=3 64 B19R2.319501 NCC1(CCOCC1)c2cccc(c2)C(F)(F)F 1P019XHD [0,1,0,0,0,1|1,0,0]=3 65 B19R2.1293966 Clc1ccc(cc1C(F)(F)F)C2(O)CCNCC2 1P003KJG [0,1,0,0,0,1|1,0,0]=3 66 B19R2.1294041 Fc1ccc(cc1C(F)(F)F)CC2(C)CCCN2 1P01BSEI [0,1,0,0,0,1|2,0,0]=4 67 B19R2.1014220 OC(=O)C1(CCCC1)c2cccc(c2)C(F)(F)F 1P019Q1V [0,2,0,0,0,0|1,0,1]=4 68 B17R2.2465 FC(c1cccc(c1)C2=CCNCC2)(F)F 1P001YGX [0,0,1,1,0,0|0,0,2]=4 69 B17R2.2465 FC(c1cccc(c1)C2CCCCN2)(F)F 1P01AD65 [0,0,1,1,0,0|2,0,0]=4 70 B17R2.2465 FC(c1cccc(c1)C2CCCNC2)(F)F 1P01BAJC [0,0,1,1,0,0|0,0,0]=2 71 B17R2.2465 FC(c1cccc(c1)C2CCNCC2)(F)F 1P00IC2L [0,0,1,1,0,0|0,0,0]=2 72 B17R2.2465 FC(c1cccc(c1)C2CNCCO2)(F)F 1P007JB8 [0,0,1,1,0,0|1,0,0]=3 73 B17R2.2465 FC(c1cccc(c1)C2CNCCO2)(F)F 1P00C47H [0,0,1,1,0,0|1,0,0]=3 74 B17R2.2465 FC(c1cccc(c1)C2CSCCN2)(F)F 1P01AD9G [0,0,1,1,0,0|2,0,0]=4 75 B17R2.2465 FC(c1cccc(c1)N2CCNCC2)(F)F 1P00G3SX [0,0,1,1,0,0|1,0,0]=3 76 B17R2.2465 FC(c1cccc(n1)C2CCNCC2)(F)F 1P01FMF8 [0,0,1,1,0,0|1,0,0]=3 77 B17R2.2465 FC(c1ccnc(c1)N2CCNCC2)(F)F 1P01AD7Z [0,0,1,1,0,0|2,0,0]=4 78 B17R2.2465 FC(c1ccnc(n1)C2CCNCC2)(F)F 1P01AGHN [0,0,1,1,0,0|2,0,0]=4 79 B17R2.2465 FC(c1ccnc(n1)C2CCNCC2)(F)F 1P028OE1 [0,0,1,1,0,0|2,0,0]=4 80 B17R2.7330 NC(c1cccc(c1)C(F)(F)F)C2CCC2 1P01B9WT [0,0,1,1,0,0|2,0,0]=4 81 B17R2.91805 CC(c1cccc(c1)C(F)(F)F)NC2CC2 1P019VTO [0,0,1,1,0,0|2,0,0]=4 82 B15R2.2223 FC(c1c[nH]c(n1)C2CNCC2)(F)F 1P027UZ5 [1,0,0,0,1,0|2,0,0]=4 83 B15R2.29050 FC(c1cccc(c1)C2CNC2)(F)F 1P01C1XU [1,0,0,0,1,0|0,0,0]=2 84 B15R2.29050 FC(c1ccnc(n1)C2CNC2)(F)F 1P01FKAE [1,0,0,0,1,0|2,0,0]=4 85 B15R2.7515 FC(c1cccc(c1)C2(C)OC2)(F)F 1P01AAK8 [0,0,0,0,2,0|1,0,0]=3 86 B15R2.7515 FC(c1cccc(c1)C2(N)CC2)(F)F 1P0083PL [0,0,0,0,2,0|1,0,0]=3 87 B15R2.7515 FC(c1cccc(c1)C2(N)CC2)(F)F 1P00I9HX [0,0,0,0,2,0|1,0,0]=3 88 B15R2.7515 FC(c1cccc(c1)C2(O)CC2)(F)F 1P028WY6 [0,0,0,0,2,0|1,0,0]=3 89 B17R2.10060 FC(c1cccc(c1)CC2CCCN2)(F)F 1P01B9PJ [1,0,0,0,0,1|2,0,0]=4 90 B17R2.20265 FC(Oc1cccc(c1)C2CCCN2)(F)F 1P00H19J [1,0,0,0,0,1|2,0,0]=4 91 B17R2.20265 FC(Oc1cccc(c1)C2CCNC2)(F)F 1P02808O [1,0,0,0,0,1|0,0,0]=2 92 B17R2.60512 FC(Oc1cccc(c1)C2(N)CCOC2)F 1P028S3K [1,0,0,0,0,1|2,0,0]=4 93 B17R2.24820 FC1(CNCC1)c2ccccc2C(F)(F)F 1P01B8IV [0,0,0,0,1,1|1,0,0]=3 94 B17R2.24819 CC1(CCCN1)c2ccc(cc2)C(F)(F)F 1P01BEGL [0,0,0,0,1,1|2,0,0]=4 95 B17R2.24819 CC1(CNCC1)c2ccc(cc2)C(F)(F)F 1P01B1TN [0,0,0,0,1,1|0,0,0]=2 96 B17R2.24819 CC1(CNCC1)c2ccc(cc2)C(F)(F)F 1P01FKHR [0,0,0,0,1,1|0,0,0]=2 97 B17R2.24819 FC(c1ccc(cc1)C2(N)CCCC2)(F)F 1P01A5VY [0,0,0,0,1,1|2,0,0]=4 98 B17R2.24819 FC1(CNCC1)c2ccc(cc2)C(F)(F)F 1P01B967 [0,0,0,0,1,1|1,0,0]=3 99 B17R2.24819 OC1(CNCC1)c2ccc(cc2)C(F)(F)F 1P0094YZ [0,0,0,0,1,1|1,0,0]=3 100 B17R2.24819 OC1(CNCC1)c2ccc(cc2)C(F)(F)F 1P01DXPX [0,0,0,0,1,1|1,0,0]=3 101 B19R2.555533 FC(Oc1cccc(c1)C2(F)CCNCC2)(F)F 1P01B8N1 [0,0,0,0,0,2|1,0,0]=3 102 B19R2.555533 FC(Oc1cccc(c1)C2(N)CCOCC2)(F)F 1P01BFHA [0,0,0,0,0,2|2,0,0]=4 103 B19R2.555533 FC(Oc1cccc(c1)C2(O)CCNCC2)(F)F 1P01AG5G [0,0,0,0,0,2|1,0,0]=3