0 B16R2.170412 CCC(=O)Nc1cccc2c1cccc2 CSC000154012 [0,0,0,0,0,0|2,0,0]=2 1 B16R2.170412 CCC(=O)Nc1cccc2c1cccn2 CSC000154823 [0,0,0,0,0,0|3,0,0]=3 2 B16R2.170412 CCC(=O)Nc1cccc2c1nccc2 CSC000154275 [0,0,0,0,0,0|3,0,0]=3 3 B16R2.170412 CCC(=O)Oc1cccc2c1cccc2 CSC000002022 [0,0,0,0,0,0|1,0,0]=1 4 B16R2.170412 CNC(=O)Nc1cccc2c1cccc2 CSC000178581 [0,0,0,0,0,0|1,0,0]=1 5 B16R2.170412 NCC(=O)Nc1cccc2c1cccc2 CSC000168400 [0,0,0,0,0,0|3,0,0]=3 6 B15R2.18471 CCCOc1cccc2c1nccc2 CSC000169813 [1,0,0,0,0,0|2,0,1]=4 7 B15R2.18471 CCNCc1cccc2c1cccc2 CSC000180870 [1,0,0,0,0,0|3,0,0]=4 8 B15R2.18471 OCCOc1cccc2c1cccc2 CSC011305859 [1,0,0,0,0,0|2,0,1]=4 9 B15R2.68122 CC(=O)Nc1cccc2c1cccn2 CSC000154822 [1,0,0,0,0,0|2,0,0]=3 10 B15R2.68122 CC(=O)Nc1cccc2c1ccnc2 CSC000154120 [1,0,0,0,0,0|2,0,0]=3 11 B15R2.68122 CC(=O)Nc1cccc2c1nccc2 CSC000154274 [1,0,0,0,0,0|2,0,0]=3 12 B15R2.68122 CC(=O)Oc1cccc2c1cccc2 CSC000002019 [1,0,0,0,0,0|0,0,0]=1 13 B15R2.68122 CC(=O)Oc1cccc2c1nccc2 CSC000001820 [1,0,0,0,0,0|1,0,0]=2 14 B15R2.68122 NC(=O)Cc1cccc2c1cccc2 CSC000162161 [1,0,0,0,0,0|1,0,0]=2 15 B15R2.68122 NC(=O)Nc1cccc2c1nccc2 CSC011208878 [1,0,0,0,0,0|2,0,0]=3 16 B17R2.322318 CCCC(=O)Nc1cccc2c1cccc2 CSC017283124 [0,1,0,0,0,0|2,0,0]=3 17 B17R2.322318 CCCC(=O)Oc1cccc2c1cccc2 CSC000002021 [0,1,0,0,0,0|1,0,0]=2 18 B17R2.322318 CCOC(=O)Cc1cccc2c1cccc2 CSC000169891 [0,1,0,0,0,0|2,0,0]=3 19 B17R2.322318 CNCC(=O)Nc1cccc2c1cccn2 CSC000285105 [0,1,0,0,0,0|2,0,0]=3 20 B17R2.322318 COCC(=O)Nc1cccc2c1cccc2 CSC005462429 [0,1,0,0,0,0|2,0,0]=3 21 B17R2.322318 COCC(=O)Nc1cccc2c1cccn2 CSC000253578 [0,1,0,0,0,0|3,0,0]=4 22 B17R2.322318 NCCC(=O)Nc1cccc2c1cccc2 CSC000292221 [0,1,0,0,0,0|2,0,0]=3 23 B17R2.322318 O=C(CC#N)Nc1cccc2c1cccc2 CSC000260927 [0,1,0,0,0,0|2,0,1]=4 24 B17R2.451963 CCC(=O)Nc1ccc(c2c1cccc2)Br CSC006528724 [0,1,0,0,0,0|2,0,0]=3 25 B17R2.451963 CCC(=O)Nc1ccc(c2c1cccn2)C CSC000293843 [0,1,0,0,0,0|3,0,0]=4 26 B17R2.451963 CCC(=O)Nc1ccc(c2c1nccc2)Br CSC021179927 [0,1,0,0,0,0|3,0,0]=4 27 B17R2.451963 CNC(=O)Cn1ccc(=O)c2c1cccc2 CSC047213137 [0,1,0,0,0,0|2,0,0]=3 28 B17R2.520754 CC(C)C(=O)Nc1cccc2c1nccc2 CSC000250125 [0,1,0,0,0,0|3,0,0]=4 29 B17R2.520754 CC(N)C(=O)Nc1cccc2c1cccc2 CSC000253800 [0,1,0,0,0,0|2,0,0]=3 30 B17R2.520754 CN(C)C(=O)Nc1cccc2c1cccc2 CSC000259758 [0,1,0,0,0,0|1,0,0]=2 31 B17R2.520754 NC(=O)C(=O)Nc1cccc2c1cccc2 CSC000014135 [0,1,0,0,0,0|3,0,0]=4 32 B15R2.79765 COC(=O)c1cccc2c1nccn2 CSC012242915 [0,0,0,0,1,0|3,0,0]=4 33 B15R2.79765 COC(=O)c1nccc2c1cccc2 CSC011526129 [0,0,0,0,1,0|2,0,0]=3 34 B15R2.79765 NNC(=O)c1cccc2c1nccc2 CSC000193919 [0,0,0,0,1,0|2,0,0]=3 35 B15R2.79765 NNC(=O)c1ccnc2c1cccc2 CSC000204930 [0,0,0,0,1,0|2,0,0]=3 36 B15R2.79765 NNC(=O)c1cncc2c1cccc2 CSC000052854 [0,0,0,0,1,0|2,0,0]=3 37 B17R2.353364 CCC(=O)NCc1cccc2c1cccc2 CSC017284358 [0,0,0,0,0,1|2,0,0]=3 38 B17R2.353364 COC(=O)COc1cccc2c1cccc2 CSC000151060 [0,0,0,0,0,1|1,0,0]=2 39 B17R2.353364 COC(=O)CSc1cccc2c1nccc2 CSC000016726 [0,0,0,0,0,1|2,1,0]=4 40 B17R2.353364 COC(=O)NCc1cccc2c1cccc2 CSC000261484 [0,0,0,0,0,1|2,0,0]=3 41 B14R2.7150 CCNc1cccc2c1cccc2 CSC000185437 [2,0,0,0,0,0|1,0,1]=4 42 B14R2.7150 CCOc1cccc2c1nccc2 CSC000169811 [2,0,0,0,0,0|1,0,1]=4 43 B16R2.12129 CC(=O)Nc1cccc2c1cc(cc2)O CSC009991304 [1,1,0,0,0,0|1,0,0]=3 44 B16R2.12129 CC(=O)Oc1cccc2c1nc(cc2)C CSC000001306 [1,1,0,0,0,0|1,0,0]=3 45 B16R2.24414 CC(=O)Nc1ccc(c2c1cccc2)Br CSC012047196 [1,1,0,0,0,0|1,0,0]=3 46 B16R2.24414 CC(=O)Nc1ccc(c2c1cccc2)O CSC000011597 [1,1,0,0,0,0|1,0,0]=3 47 B16R2.24414 CC(=O)Nc1ccc(c2c1nccc2)Br CSC009812427 [1,1,0,0,0,0|2,0,0]=4 48 B16R2.244415 CN(C(=O)C)c1cccc2c1cccc2 CSC000030329 [1,1,0,0,0,0|1,0,0]=3 49 B16R2.248309 CS(=O)(=O)Nc1cccc2c1cccc2 CSC000165662 [1,1,0,0,0,0|2,0,0]=4 50 B16R2.12 CN(C)C(=O)Cn1ccc2c1cccc2 CSC011409399 [0,1,0,0,1,0|2,0,0]=4 51 B16R2.176359 CNC(=O)Cc1csc2c1cc(cc2)Cl CSC041782663 [0,1,0,0,1,0|2,0,0]=4 52 B16R2.33951 CNC(=O)c1cc(nc2c1cccc2)O CSC000159940 [0,1,0,0,1,0|1,0,0]=3 53 B16R2.33951 COC(=O)c1cc(nc2c1cccc2)C CSC000148245 [0,1,0,0,1,0|2,0,0]=4 54 B16R2.33951 COC(=O)c1cc(nc2c1cccc2)O CSC000149789 [0,1,0,0,1,0|2,0,0]=4 55 B16R2.33951 NNC(=O)c1cc(nc2c1cccc2)O CSC000189852 [0,1,0,0,1,0|2,0,0]=4 56 B16R2.122501 CNS(=O)(=O)c1cccc2c1nccc2 CSC011204558 [0,1,0,0,1,0|2,0,0]=4 57 B16R2.172716 CNC(=O)c1cccc2c1c(ccc2)Br CSC021225206 [0,1,0,0,1,0|0,0,0]=2 58 B18R2.95331 CNC(=O)COc1ccc(c2c1nccc2)Cl CSC046243395 [0,1,0,0,0,1|1,0,0]=3 59 B18R2.95331 COC(=O)COc1ccc(c2c1nccc2)Cl CSC020369423 [0,1,0,0,0,1|2,0,0]=4 60 B18R2.615197 COC(=O)NC(C)c1cccc2c1cccc2 CSC047528608 [0,1,0,0,0,1|2,0,0]=4 61 B18R2.892603 CCNC(=O)NCc1cccc2c1cccc2 CSC000809655 [0,1,0,0,0,1|1,0,0]=3 62 B18R2.892603 CCOC(=O)COc1cccc2c1cccc2 CSC000256957 [0,1,0,0,0,1|1,0,0]=3 63 B18R2.892603 COCC(=O)NCc1cccc2c1cccc2 CSC000526733 [0,1,0,0,0,1|2,0,0]=4 64 B18R2.904449 CNC(=O)C(=O)Nc1cccc2c1cccc2 CSC048015487 [0,1,0,0,0,1|1,0,0]=3 65 B18R2.904449 CNC(=O)C(C)Oc1cccc2c1cccc2 CSC000394571 [0,1,0,0,0,1|0,0,0]=2 66 B18R2.904449 COC(=O)C(C)Oc1cccc2c1cccc2 CSC000257176 [0,1,0,0,0,1|1,0,0]=3 67 B18R2.2417296 CC(C)C(=O)NCc1cccc2c1cccc2 CSC000413397 [0,1,0,0,0,1|2,0,0]=4 68 B18R2.2417296 CN(C)C(=O)COc1cccc2c1cccc2 CSC000577258 [0,1,0,0,0,1|0,0,0]=2 69 B18R2.2417296 CN(C)C(=O)CSc1nccc2c1cccc2 CSC046149694 [0,1,0,0,0,1|1,1,0]=4 70 B18R2.1372400 CN(C)S(=O)(=O)Nc1cccc2c1cccc2 CSC046179683 [0,2,0,0,0,0|2,0,0]=4 71 B18R2.124776 CCNC(=O)Cn1ccc(=O)c2c1cccc2 CSC048928760 [0,2,0,0,0,0|2,0,0]=4 72 B18R2.883208 C=CCNC(=O)Nc1cccc2c1cccc2 CSC000593503 [0,2,0,0,0,0|1,0,0]=3 73 B18R2.883208 CCCCC(=O)Oc1cccc2c1cccc2 CSC000076673 [0,2,0,0,0,0|1,0,0]=3 74 B18R2.883208 CCCNC(=O)Cc1cccc2c1cccc2 CSC000385362 [0,2,0,0,0,0|1,0,0]=3 75 B18R2.883208 CCCNC(=O)Nc1cccc2c1cccc2 CSC000385695 [0,2,0,0,0,0|1,0,0]=3 76 B18R2.883208 CCOCC(=O)Nc1cccc2c1cccc2 CSC000390786 [0,2,0,0,0,0|2,0,0]=4 77 B18R2.883208 NCCNC(=O)Cc1cccc2c1cccc2 CSC000515745 [0,2,0,0,0,0|1,0,0]=3 78 B18R2.883208 OCCNC(=O)Cc1cccc2c1cccc2 CSC000483925 [0,2,0,0,0,0|1,0,0]=3 79 B18R2.883208 OCCNC(=O)Nc1cccc2c1cccc2 CSC000511191 [0,2,0,0,0,0|1,0,0]=3 80 B18R2.2880857 CC(C)NC(=O)Nc1cccc2c1cccc2 CSC000385624 [0,2,0,0,0,0|1,0,0]=3 81 B18R2.2880857 CN(C)CC(=O)Nc1cccc2c1cccc2 CSC046105569 [0,2,0,0,0,0|1,0,0]=3 82 B16R2.5347 CCC(=O)Nc1ccc2ccccc2c1 CSC000154016 [0,0,1,1,0,0|2,0,0]=4 83 B16R2.5347 CCC(=O)Oc1ccc2ccccc2c1 CSC000002294 [0,0,1,1,0,0|1,0,0]=3 84 B16R2.5347 CNC(=O)Nc1ccc2ccccc2c1 CSC000235001 [0,0,1,1,0,0|1,0,0]=3 85 B16R2.5347 NNC(=O)Cc1ccc2ccccc2c1 CSC000190070 [0,0,1,1,0,0|2,0,0]=4 86 B18R3.1019323 O=C(Nc1cccc2c1cccc2)C3CC3 CSC017283125 [0,1,0,1,0,0|2,0,0]=4 87 B18R3.1019323 O=C(Oc1cccc2c1cccc2)C3CC3 CSC000002023 [0,1,0,1,0,0|1,0,0]=3 88 B14R2.2 NC(=O)Cn1ccc2c1cccc2 CSC011424896 [1,0,0,0,1,0|2,0,0]=4 89 B14R2.9440 CC(=O)Nc1cccc2c1cc[nH]2 CSC000058549 [1,0,0,0,1,0|2,0,0]=4 90 B14R2.9440 CC(=O)Oc1cccc2c1cc[nH]2 CSC000042529 [1,0,0,0,1,0|1,0,0]=3 91 B14R2.31359 NC(=O)c1ccnc2c1cccc2 CSC000206441 [1,0,0,0,1,0|1,0,0]=3 92 B14R2.95 COC(=O)c1coc2c1cccc2 CSC011990792 [0,0,0,0,2,0|2,0,0]=4 93 B14R2.95 NNC(=O)c1csc2c1cccc2 CSC000239984 [0,0,0,0,2,0|2,0,0]=4 94 B14R2.10782 COC(=O)c1cccc2c1cc[nH]2 CSC011218648 [0,0,0,0,2,0|2,0,0]=4 95 B14R2.10782 NNC(=O)c1cccc2c1[nH]cc2 CSC000187259 [0,0,0,0,2,0|2,0,0]=4 96 B18R2.741502 COC(=O)CSCc1cccc2c1cccc2 CSC046222673 [0,0,0,0,0,2|1,1,0]=4