0 B16R1.1548 CCCC(=O)Nc1cccc(c1)C(F)(F)F CSC000250015 [0,0,0,0,0,0|3,0,1]=4 1 B16R1.1548 CCNC(=O)Nc1cccc(c1)C(F)(F)F CSC000253973 [0,0,0,0,0,0|2,0,1]=3 2 B16R1.1548 CCOC(=O)Cc1cccc(c1)C(F)(F)F CSC000170414 [0,0,0,0,0,0|2,0,1]=3 3 B16R1.1548 CN(CCN)Cc1cccc(c1)C(F)(F)F CSC000337260 [0,0,0,0,0,0|3,0,0]=3 4 B16R1.1548 CN(CCN)Cc1cccc(c1)C(F)(F)F CSC000337260 [0,0,0,0,0,0|3,0,0]=3 5 B16R1.1548 CN(CCO)Cc1cccc(c1)C(F)(F)F CSC000277208 [0,0,0,0,0,0|3,0,0]=3 6 B16R1.1548 COCC(C)Nc1cccc(c1)C(F)(F)F CSC005652557 [0,0,0,0,0,0|3,0,0]=3 7 B15R1.1183 OCCNCc1cccc(c1)C(F)(F)F CSC000200483 [1,0,0,0,0,0|3,0,0]=4 8 B15R1.1269 CN(CCN)Cc1cccc(c1)C(F)F CSC013028081 [1,0,0,0,0,0|3,0,0]=4 9 B15R1.3841 CCC(=O)Nc1cccc(c1)C(F)(F)F CSC000154082 [1,0,0,0,0,0|2,0,1]=4 10 B15R1.3841 CNC(=O)Nc1cccc(c1)C(F)(F)F CSC000178570 [1,0,0,0,0,0|2,0,1]=4 11 B15R1.3841 NNC(=O)Cc1cccc(c1)C(F)(F)F CSC000189826 [1,0,0,0,0,0|2,0,1]=4 12 B17R1.1610 CCNC(=O)Nc1cc(ccc1Cl)C(F)(F)F CSC000484746 [0,1,0,0,0,0|2,0,1]=4 13 B17R1.1610 CN(CCN)Cc1cc(ccc1F)C(F)(F)F CSC001996941 [0,1,0,0,0,0|3,0,0]=4 14 B17R1.1620 CN(CCN)Cc1cc(cc(c1)C(F)(F)F)F CSC001732066 [0,1,0,0,0,0|3,0,0]=4 15 B17R1.1678 CN(CCN)Cc1ccc(c(c1)C(F)(F)F)F CSC004089907 [0,1,0,0,0,0|3,0,0]=4 16 B17R1.4914 CCCNC(=O)Nc1cccc(c1)C(F)(F)F CSC000484780 [0,1,0,0,0,0|2,0,1]=4 17 B17R1.4914 CNCCN(C)Cc1cccc(c1)C(F)(F)F CSC000783208 [0,1,0,0,0,0|2,0,0]=3 18 B17R1.4914 NCCNC(=O)Cc1cccc(c1)C(F)(F)F CSC050007681 [0,1,0,0,0,0|1,0,1]=3 19 B17R1.4914 NCCNC(=O)Nc1cccc(c1)C(F)(F)F CSC000865985 [0,1,0,0,0,0|2,0,1]=4 20 B17R1.5046 CC(N(C)CCN)c1cccc(c1)C(F)(F)F CSC003326834 [0,1,0,0,0,0|3,0,0]=4 21 B17R1.6214 CCN(CCN)Cc1cccc(c1)C(F)(F)F CSC003171042 [0,1,0,0,0,0|3,0,0]=4 22 B17R1.6214 CCN(CCO)Cc1cccc(c1)C(F)(F)F CSC000504313 [0,1,0,0,0,0|3,0,0]=4 23 B17R1.8340 CC(CN)N(C)Cc1cccc(c1)C(F)(F)F CSC001667288 [0,1,0,0,0,0|3,0,0]=4 24 B17R1.8340 CN(Cc1cccc(c1)C(F)(F)F)C(=O)CN CSC046107328 [0,1,0,0,0,0|3,0,0]=4 25 B17R1.8340 CN(Cc1cccc(c1)C(F)(F)F)C(=O)CN CSC046107328 [0,1,0,0,0,0|3,0,0]=4 26 B17R1.16519 CC(C)NC(=O)Nc1cccc(c1)C(F)(F)F CSC000586312 [0,1,0,0,0,0|2,0,1]=4 27 B17R1.16519 CC(N)CN(C)Cc1cccc(c1)C(F)(F)F CSC008139176 [0,1,0,0,0,0|2,0,0]=3 28 B17R1.1654 CCOC(=O)Cc1cccc(c1)OC(F)(F)F CSC005699068 [0,0,0,0,0,1|2,0,1]=4 29 B17R1.1654 CN(CCN)Cc1cccc(c1)OC(F)(F)F CSC004122715 [0,0,0,0,0,1|3,0,0]=4 30 B17R1.21228 CCNC(=O)COc1cccc(c1)C(F)(F)F CSC047830791 [0,0,0,0,0,1|1,0,1]=3 31 B17R1.21228 CCOC(=O)CNc1cccc(c1)C(F)(F)F CSC000275465 [0,0,0,0,0,1|2,0,1]=4 32 B17R1.21228 CCOC(=O)COc1cccc(c1)C(F)(F)F CSC000256850 [0,0,0,0,0,1|2,0,1]=4 33 B14R1.781 CCNCc1cccc(c1)C(F)(F)F CSC000201215 [2,0,0,0,0,0|0,0,0]=2 34 B16R1.265 CCCCNCc1cccc(c1)C(F)(F)F CSC000266083 [1,1,0,0,0,0|1,0,0]=3 35 B16R1.265 CCNCCNc1cc(ccn1)C(F)(F)F CSC006069274 [1,1,0,0,0,0|1,0,0]=3 36 B16R1.265 CCNCCNc1cccc(n1)C(F)(F)F CSC005669073 [1,1,0,0,0,0|1,0,0]=3 37 B16R1.265 CCNCCNc1ccnc(c1)C(F)(F)F CSC007455677 [1,1,0,0,0,0|1,0,0]=3 38 B16R1.265 CCNCCNc1nccc(n1)C(F)(F)F CSC005883573 [1,1,0,0,0,0|2,0,0]=4 39 B16R1.265 CNCCNCc1cccc(c1)C(F)(F)F CSC006618055 [1,1,0,0,0,0|2,0,0]=4 40 B16R1.265 COCCNCc1cccc(c1)C(F)(F)F CSC000265976 [1,1,0,0,0,0|2,0,0]=4 41 B16R1.265 OCCCNCc1cccc(c1)C(F)(F)F CSC000266057 [1,1,0,0,0,0|2,0,0]=4 42 B16R1.1323 CCC(C)NCc1cccc(c1)C(F)(F)F CSC000276818 [1,1,0,0,0,0|2,0,0]=4 43 B16R1.1434 CCCNCc1ccc(c(c1)C(F)(F)F)F CSC005560325 [1,1,0,0,0,0|2,0,0]=4 44 B16R1.12424 CC(O)CNCc1cccc(c1)C(F)(F)F CSC000266447 [1,1,0,0,0,0|2,0,0]=4 45 B16R1.4489 CNCCN(C)Cc1cccc(c1)C(F)F CSC006428356 [1,1,0,0,0,0|2,0,0]=4 46 B16R1.4118 CN(C)C(=O)Cc1cccc(c1)C(F)(F)F CSC000252605 [1,1,0,0,0,0|1,0,1]=4 47 B16R1.6937 CC(C)NC(=O)c1cccc(c1)C(F)(F)F CSC000251755 [0,1,0,0,1,0|1,0,1]=4 48 B16R1.6937 CC(C)NC(C)c1cccc(c1)C(F)(F)F CSC000279942 [0,1,0,0,1,0|0,0,0]=2 49 B18R1.4975 CNCCN(C)Cc1cccc(c1)OC(F)(F)F CSC008842608 [0,1,0,0,0,1|2,0,0]=4 50 B18R1.21244 CC(N)CN(C)Cc1cccc(c1)OC(F)(F)F CSC009003755 [0,1,0,0,0,1|2,0,0]=4 51 B18R1.4587 CCCC(C)NC(=O)c1cccc(c1)C(F)(F)F CSC048535482 [0,1,0,0,0,1|1,0,1]=4 52 B18R1.4587 COCC(C)NC(C)c1cccc(c1)C(F)(F)F CSC000651440 [0,1,0,0,0,1|2,0,0]=4 53 B18R1.6129 CCCC(C)C(=O)Nc1cccc(c1)C(F)(F)F CSC000100540 [0,1,0,0,0,1|1,0,1]=4 54 B18R1.37161 CC(C)NC(=O)COc1cccc(c1)C(F)(F)F CSC047696390 [0,1,0,0,0,1|1,0,1]=4 55 B18R1.37161 CC(C)NC(=O)NCc1cccc(c1)C(F)(F)F CSC000625615 [0,1,0,0,0,1|1,0,1]=4 56 B18R1.41740 CCCNC(=O)COc1cccc(c1)C(F)(F)F CSC048990999 [0,1,0,0,0,1|1,0,1]=4 57 B18R1.41740 CCCNC(=O)NCc1cccc(c1)C(F)(F)F CSC000586279 [0,1,0,0,0,1|1,0,1]=4 58 B18R1.41740 COCCC(C)NCc1cccc(c1)C(F)(F)F CSC007912179 [0,1,0,0,0,1|1,0,0]=3 59 B18R1.41740 NCCNC(=O)COc1cccc(c1)C(F)(F)F CSC000838720 [0,1,0,0,0,1|1,0,1]=4 60 B18R1.4939 CNCCN(C)Cc1cc(ccc1F)C(F)(F)F CSC004256454 [0,2,0,0,0,0|2,0,0]=4 61 B18R1.4948 CNCCN(C)Cc1cc(cc(c1)C(F)(F)F)Cl CSC057339940 [0,2,0,0,0,0|2,0,0]=4 62 B18R1.4948 CNCCN(C)Cc1cc(cc(c1)C(F)(F)F)F CSC004067201 [0,2,0,0,0,0|2,0,0]=4 63 B18R1.4997 CNCCN(C)Cc1ccc(c(c1)C(F)(F)F)F CSC008663952 [0,2,0,0,0,0|2,0,0]=4 64 B18R1.10153 CNCCNC(=O)Cc1cccc(c1)C(F)(F)F CSC032173892 [0,2,0,0,0,0|1,0,1]=4 65 B18R1.10153 COCCNC(=O)Cc1cccc(c1)C(F)(F)F CSC026306574 [0,2,0,0,0,0|1,0,1]=4 66 B18R1.10153 COCCNC(C)Cc1cccc(c1)C(F)(F)F CSC046086435 [0,2,0,0,0,0|0,0,0]=2 67 B18R1.20971 CC(N)CN(C)C(C)c1cccc(c1)C(F)(F)F CSC002965015 [0,2,0,0,0,0|2,0,0]=4 68 B18R1.21138 C[C@@H](N)C(=O)N(C)Cc1cccc(c1)C(F)(F)F CSC056939863 [0,2,0,0,0,0|2,0,0]=4 69 B18R1.21138 C[C@H](N)C(=O)N(C)Cc1cccc(c1)C(F)(F)F CSC046168352 [0,2,0,0,0,0|2,0,0]=4 70 B18R1.21138 C[C@H](N)C(=O)N(C)Cc1cccc(c1)C(F)(F)F CSC046168352 [0,2,0,0,0,0|2,0,0]=4 71 B18R1.25847 CCN(CC)C(=O)Cc1cccc(c1)C(F)(F)F CSC000580739 [0,2,0,0,0,0|1,0,1]=4 72 B16R2.52132 FC(F)(F)c1cccc(c1)CNC2CC2 CSC000196394 [1,0,0,1,0,0|2,0,0]=4 73 B16R2.52132 FC(F)(F)c1cccc(c1)OCC2CC2 CSC010130300 [1,0,0,1,0,0|2,0,0]=4 74 B18R2.3913 CC1CN(CCN1)c2cc(ccn2)C(F)(F)F CSC001379361 [0,0,0,1,0,1|1,0,0]=3 75 B18R2.3913 CC1CN(CCN1)c2cccc(n2)C(F)(F)F CSC003302249 [0,0,0,1,0,1|1,0,0]=3 76 B18R2.3913 CC1CN(CCN1)c2ccnc(c2)C(F)(F)F CSC009412376 [0,0,0,1,0,1|1,0,0]=3 77 B18R2.3913 CC1CN(CCN1)c2nccc(n2)C(F)(F)F CSC008222105 [0,0,0,1,0,1|2,0,0]=4 78 B18R2.3913 C[C@@H]1CN(CCN1)c2cc(ccn2)C(F)(F)F CSC002226363 [0,0,0,1,0,1|1,0,0]=3 79 B18R2.3913 C[C@@H]1CN(CCN1)c2cccc(n2)C(F)(F)F CSC002226305 [0,0,0,1,0,1|1,0,0]=3 80 B18R2.3913 C[C@@H]1CN(CCN1)c2ccnc(c2)C(F)(F)F CSC009412674 [0,0,0,1,0,1|1,0,0]=3 81 B18R2.3913 C[C@@H]1CN(CCN1)c2nccc(n2)C(F)(F)F CSC008734085 [0,0,0,1,0,1|2,0,0]=4 82 B18R2.3913 C[C@H]1CN(CCN1)c2cc(ccn2)C(F)(F)F CSC004503542 [0,0,0,1,0,1|1,0,0]=3 83 B18R2.3913 C[C@H]1CN(CCN1)c2cccc(n2)C(F)(F)F CSC002226537 [0,0,0,1,0,1|1,0,0]=3 84 B18R2.3913 C[C@H]1CN(CCN1)c2ccnc(c2)C(F)(F)F CSC009412675 [0,0,0,1,0,1|1,0,0]=3 85 B18R2.3913 C[C@H]1CN(CCN1)c2nccc(n2)C(F)(F)F CSC004187867 [0,0,0,1,0,1|2,0,0]=4 86 B18R2.14552 FC(F)(F)c1cc(ccn1)NCC2CCCN2 CSC009412640 [0,0,0,1,0,1|1,0,0]=3 87 B18R2.14552 FC(F)(F)c1cccc(c1)CNC2CCCC2 CSC000493697 [0,0,0,1,0,1|1,0,0]=3 88 B18R2.14552 FC(F)(F)c1cccc(c1)CNC2CCNC2 CSC008429655 [0,0,0,1,0,1|2,0,0]=4 89 B18R2.14552 FC(F)(F)c1cccc(c1)CNC2CCOC2 CSC003400352 [0,0,0,1,0,1|2,0,0]=4 90 B18R2.14552 FC(F)(F)c1cccc(c1)OCC2OCCO2 CSC042656126 [0,0,0,1,0,1|2,0,0]=4 91 B18R2.14552 FC(F)(F)c1cccc(n1)NCC2CCCN2 CSC008000382 [0,0,0,1,0,1|1,0,0]=3 92 B18R2.14552 FC(F)(F)c1ccnc(c1)NCC2CCCN2 CSC001379426 [0,0,0,1,0,1|1,0,0]=3 93 B18R2.14552 FC(F)(F)c1ccnc(n1)NCC2CCCN2 CSC001196951 [0,0,0,1,0,1|2,0,0]=4 94 B18R2.128593 CC(NCc1cccc(c1)C(F)(F)F)C2CC2 CSC000497560 [0,0,0,1,0,1|1,0,0]=3 95 B18R2.2634 FC(F)(F)c1cc(ccn1)NC2CCCNC2 CSC009412643 [0,1,0,1,0,0|2,0,0]=4 96 B18R2.2634 FC(F)(F)c1cccc(c1)CN2CCOCC2 CSC000591317 [0,1,0,1,0,0|2,0,0]=4 97 B18R2.2634 FC(F)(F)c1cccc(c1)CN2CCSCC2 CSC048214630 [0,1,0,1,0,0|2,0,0]=4 98 B18R2.2634 FC(F)(F)c1cccc(n1)NC2CCCNC2 CSC001063986 [0,1,0,1,0,0|2,0,0]=4 99 B18R2.2634 FC(F)(F)c1ccnc(c1)NC2CCCNC2 CSC003740402 [0,1,0,1,0,0|2,0,0]=4 100 B18R2.4745 CC1CNCCN1c2cc(ccn2)C(F)(F)F CSC003740399 [0,1,0,1,0,0|2,0,0]=4 101 B18R2.4745 CC1CNCCN1c2cccc(n2)C(F)(F)F CSC003325779 [0,1,0,1,0,0|2,0,0]=4 102 B18R2.4745 CC1CNCCN1c2ccnc(c2)C(F)(F)F CSC002860111 [0,1,0,1,0,0|2,0,0]=4 103 B18R2.29406 NC1CCN(C1)Cc2cccc(c2)C(F)(F)F CSC000437703 [0,1,0,1,0,0|2,0,0]=4 104 B18R2.29406 N[C@@H]1CCN(C1)Cc2cccc(c2)C(F)(F)F CSC001320462 [0,1,0,1,0,0|2,0,0]=4 105 B18R2.29406 N[C@H]1CCN(C1)Cc2cccc(c2)C(F)(F)F CSC001320464 [0,1,0,1,0,0|2,0,0]=4 106 B18R2.565862 CN(Cc1cccc(c1)C(F)(F)F)C2CNC2 CSC003720868 [0,1,0,1,0,0|2,0,0]=4 107 B14R1.735 CNC(=O)c1cccc(c1)C(F)(F)F CSC000159823 [1,0,0,0,1,0|1,0,1]=4 108 B16R1.1410 CCCNCc1cccc(c1)OC(F)(F)F CSC005721678 [1,0,0,0,0,1|2,0,0]=4 109 B18R1.29920 COCC(C)CNCc1cccc(c1)C(F)(F)F CSC007906822 [0,0,0,0,0,2|2,0,0]=4