0 B19R3.246468 C/C=C(\C)/c1cccc2c1[nH]c3c2cccc3 AIFCHEM-94584214120 [0,1,0,0,0,0|2,0,0]=3 1 B19R3.246468 C/C=C(\C)/c1cccc2c1oc3c2cccc3 AIFCHEM-94584223377 [0,1,0,0,0,0|3,0,0]=4 2 B19R3.246468 C/C=C(\C)/c1cccc2c1sc3c2cccc3 AIFCHEM-94584212144 [0,1,0,0,0,0|3,0,0]=4 3 B17R2.3948 CC(C)c1cc(ccn1)c2cnccc2N AIFCHEM-6431542886 [0,0,1,0,0,0|2,0,1]=4 4 B17R2.3948 CC(O)c1cc(ccn1)c2ccccc2F AIFCHEM-94560970058 [0,0,1,0,0,0|1,0,2]=4 5 B17R2.3948 CC(O)c1cc(ccn1)c2ccccc2N AIFCHEM-94596641190 [0,0,1,0,0,0|0,0,2]=3 6 B17R2.3948 CC(O)c1cccc(c1)c2ccccc2N AIFCHEM-5900593371 [0,0,1,0,0,0|1,0,2]=4 7 B17R2.3948 CN(C)c1cc(ccn1)c2cnccc2N AIFCHEM-6302306022 [0,0,1,0,0,0|3,0,0]=4 8 B17R2.3948 C[C@@H](O)c1cccc(c1)c2ccccc2N AIFCHEM-94596640198 [0,0,1,0,0,0|1,0,2]=4 9 B17R2.3948 C[C@H](O)c1cccc(c1)c2ccccc2N AIFCHEM-6347796271 [0,0,1,0,0,0|1,0,2]=4 10 B17R2.3948 Cc1ccccc1c2ccnc(c2)C(=O)N AIFCHEM-6308193629 [0,0,1,0,0,0|2,0,0]=3 11 B17R2.3948 NC(=O)c1cc(ccn1)c2ccccc2N AIFCHEM-94596648304 [0,0,1,0,0,0|1,0,0]=2 12 B17R2.3948 NC(=O)c1cccc(c1)c2ccccc2O AIFCHEM-94553449376 [0,0,1,0,0,0|3,0,0]=4 13 B17R2.3948 NC(=S)c1cccc(c1)c2ccccc2N AIFCHEM-94596643844 [0,0,1,0,0,0|2,1,0]=4 14 B17R2.3948 Nc1ccccc1c2cc(ccn2)C(=O)O AIFCHEM-6392544094 [0,0,1,0,0,0|3,0,0]=4 15 B17R2.3948 Nc1ccccc1c2cncc(c2)C(=O)O AIFCHEM-94596643386 [0,0,1,0,0,0|3,0,0]=4 16 B17R2.3948 Nc1cnccc1c2cccc(c2)C(=O)O AIFCHEM-5823609317 [0,0,1,0,0,0|3,0,0]=4 17 B19R3.197545 CC(=Cc1cccc2c1sc3c2cccc3)C AIFCHEM-6458248126 [0,0,0,0,0,1|3,0,0]=4 18 B16R2.2415 CCc1cc(ccn1)c2ccccc2F AIFCHEM-6344047132 [1,0,1,0,0,0|1,0,1]=4 19 B16R2.2415 CNc1cc(ccn1)c2cnccc2N AIFCHEM-6214984893 [1,0,1,0,0,0|2,0,0]=4 20 B16R2.2415 COc1cc(ccn1)c2ccccc2O AIFCHEM-94553449509 [1,0,1,0,0,0|2,0,0]=4 21 B16R2.2415 COc1cc(ccn1)c2ncccc2N AIFCHEM-94557852397 [1,0,1,0,0,0|2,0,0]=4 22 B16R2.2415 Cc1ncccc1c2ccnc(c2)C=O AIFCHEM-94535618565 [1,0,1,0,0,0|2,0,0]=4 23 B16R2.2415 N#Cc1cc(ccn1)c2ccccc2N AIFCHEM-94596648303 [1,0,1,0,0,0|1,0,1]=4 24 B16R2.2415 Nc1ccccc1c2ccnc(c2)C=O AIFCHEM-6248904365 [1,0,1,0,0,0|0,0,0]=2 25 B16R2.2415 O=Cc1cccc(c1)c2ccccc2O AIFCHEM-94553449451 [1,0,1,0,0,0|2,0,0]=4 26 B16R2.6150 CC(=Cc1[nH]c2ccccc2c1C=O)C AIFCHEM-6315771610 [1,0,1,0,0,0|2,0,0]=4 27 B16R2.24 COc1nccc(c1F)c2ccccc2 AIFCHEM-6328348378 [1,0,1,0,0,0|2,0,0]=4 28 B16R2.24 O=Cc1nccc(c1F)c2cccnc2 AIFCHEM-94520909545 [1,0,1,0,0,0|2,0,0]=4 29 B18R2.3940 CC(O)c1cc(ccn1)c2cccc(c2N)N AIFCHEM-94560969981 [0,1,1,0,0,0|0,0,2]=4 30 B18R2.3940 Cc1cccc(c1N)c2cccc(c2)C(=O)N AIFCHEM-5949688532 [0,1,1,0,0,0|2,0,0]=4 31 B18R2.4063 Cc1ccc(c(c1)c2ccnc(c2)C(=O)N)F AIFCHEM-6322104062 [0,1,1,0,0,0|2,0,0]=4 32 B18R2.4063 NC(=O)c1cc(ccn1)c2cc(ccc2F)N AIFCHEM-6322249915 [0,1,1,0,0,0|2,0,0]=4 33 B18R2.4063 NC(=O)c1cccc(c1)c2cc(ccc2N)F AIFCHEM-5634277746 [0,1,1,0,0,0|2,0,0]=4 34 B18R2.4063 Nc1ccc(cc1c2cccc(c2)C(=O)O)F AIFCHEM-5595405864 [0,1,1,0,0,0|2,0,0]=4 35 B18R2.4737 NC(=O)c1cc(ccc1N)c2ccccc2N AIFCHEM-94596641840 [0,1,1,0,0,0|2,0,0]=4 36 B18R2.4737 NC(=O)c1cc(ccc1O)c2ccccc2N AIFCHEM-94596648469 [0,1,1,0,0,0|2,0,0]=4 37 B18R2.4737 Nc1ccccc1c2ccc(c(c2)C(=O)O)O AIFCHEM-6355854882 [0,1,1,0,0,0|2,0,0]=4 38 B18R2.4745 CC(C)(C)c1cc(ccn1)c2ccccc2N AIFCHEM-94596637561 [0,1,1,0,0,0|1,0,1]=4 39 B18R2.4745 CS(=O)(=O)c1nccc(n1)c2ccccc2N AIFCHEM-94596638712 [0,1,1,0,0,0|2,0,0]=4 40 B18R2.4749 NC(=O)c1cccc(c1F)c2ccccc2N AIFCHEM-6477841143 [0,1,1,0,0,0|2,0,0]=4 41 B18R2.4749 Nc1ccccc1c2cccc(c2F)C(=O)O AIFCHEM-94569937806 [0,1,1,0,0,0|2,0,0]=4 42 B18R2.9446 CNC(=O)c1cc(ccn1)c2ccccc2C AIFCHEM-6334438374 [0,1,1,0,0,0|1,0,0]=3 43 B18R2.9446 CNC(=O)c1cc(ccn1)c2ccccc2O AIFCHEM-6343791383 [0,1,1,0,0,0|1,0,0]=3 44 B18R2.9446 CNC(=O)c1cc(ccn1)c2ccncc2F AIFCHEM-6368394223 [0,1,1,0,0,0|2,0,0]=4 45 B18R2.9446 CNC(=O)c1cc(ccn1)c2cncnc2N AIFCHEM-6178494523 [0,1,1,0,0,0|2,0,0]=4 46 B18R2.9446 CNC(=O)c1cc(ccn1)c2ncncc2N AIFCHEM-6264724995 [0,1,1,0,0,0|2,0,0]=4 47 B18R2.9446 CNC(=O)c1cccc(c1)c2cccnc2N AIFCHEM-5960685147 [0,1,1,0,0,0|2,0,0]=4 48 B18R2.9446 COC(=O)c1cc(ccn1)c2cccnc2N AIFCHEM-6318770958 [0,1,1,0,0,0|1,0,0]=3 49 B18R2.9446 COC(=O)c1cccc(c1)c2ccccc2F AIFCHEM-6457673916 [0,1,1,0,0,0|2,0,0]=4 50 B18R2.9446 COC(=O)c1cccc(c1)c2ccccc2O AIFCHEM-6455208610 [0,1,1,0,0,0|2,0,0]=4 51 B18R2.12470 CNc1ccccc1c2cccc(c2)C(=O)N AIFCHEM-5703643203 [0,1,1,0,0,0|2,0,0]=4 52 B18R2.12470 NC(=O)c1cc(ccn1)c2ccccc2C=O AIFCHEM-6322089980 [0,1,1,0,0,0|2,0,0]=4 53 B18R2.12470 NCc1ccccc1c2cccc(c2)C(=O)N AIFCHEM-94593964457 [0,1,1,0,0,0|2,0,0]=4 54 B18R2.12470 NCc1ccccc1c2ccnc(c2)C(=O)N AIFCHEM-6346183304 [0,1,1,0,0,0|1,0,0]=3 55 B18R2.38896 Cc1cccc(c1c2cccc(c2)C(=O)O)N AIFCHEM-5743910219 [0,1,1,0,0,0|2,0,0]=4 56 B18R2.38896 Cc1cccc(c1c2ccnc(c2)C(=O)N)F AIFCHEM-6346175559 [0,1,1,0,0,0|2,0,0]=4 57 B18R2.38896 NC(=O)c1cc(ccn1)c2c(cccc2F)N AIFCHEM-6308147699 [0,1,1,0,0,0|1,0,0]=3 58 B18R2.66875 Cc1cc(ccc1c2ccnc(c2)C(=O)N)N AIFCHEM-6307223487 [0,1,1,0,0,0|2,0,0]=4 59 B18R2.66875 NC(=O)c1cc(ccn1)c2ccc(cc2F)O AIFCHEM-6374371334 [0,1,1,0,0,0|2,0,0]=4 60 B18R2.66875 NC(=O)c1cccc(c1)c2ccc(cc2N)O AIFCHEM-6092054564 [0,1,1,0,0,0|2,0,0]=4 61 B18R2.291 COC(=O)c1cccc(c1N)c2cccnc2 AIFCHEM-94520906951 [0,1,1,0,0,0|2,0,0]=4 62 B18R2.3761 NC(=O)c1cccc(c1N)c2ccc(cc2)F AIFCHEM-5747992260 [0,1,1,0,0,0|2,0,0]=4 63 B18R2.3761 Nc1ccc(cc1)c2cccc(c2N)C(=O)O AIFCHEM-5734539827 [0,1,1,0,0,0|2,0,0]=4 64 B18R2.3917 Cc1cccc(c1)c2cccc(c2N)C(=O)N AIFCHEM-5756299245 [0,1,1,0,0,0|2,0,0]=4 65 B18R2.3917 Cc1cccc(c1)c2cccc(c2N)C(=O)O AIFCHEM-6020683625 [0,1,1,0,0,0|2,0,0]=4 66 B18R2.3917 NC(=O)c1cccc(c1N)c2cccc(c2)N AIFCHEM-94580019420 [0,1,1,0,0,0|2,0,0]=4 67 B18R2.3917 Nc1c(cccc1c2cccc(c2)F)C(=O)O AIFCHEM-6044607443 [0,1,1,0,0,0|2,0,0]=4 68 B18R3.5244 CC=Cc1cccc2c1[nH]c3c2cccc3 AIFCHEM-6331221246 [1,1,0,0,0,0|1,0,0]=3 69 B18R3.5244 CC=Cc1cccc2c1sc3c2cccc3 AIFCHEM-6394765373 [1,1,0,0,0,0|2,0,0]=4 70 B20R3.411520 CCC(=O)Nc1cccc2c1oc3c2cccc3 AIFCHEM-94526507880 [0,1,0,0,0,1|2,0,0]=4 71 B18R3.50 Cc1cncc(n1)c2c[nH]c3c2cccn3 AIFCHEM-6347703767 [0,0,1,1,0,0|2,0,0]=4 72 B18R3.50 Cc1cncc(n1)c2coc3c2cccc3 AIFCHEM-6375772036 [0,0,1,1,0,0|2,0,0]=4 73 B18R3.50 Nc1cncc(c1)c2c[nH]c3c2cccc3 AIFCHEM-6220769567 [0,0,1,1,0,0|1,0,1]=4 74 B18R3.50 O=c1cc(cn[nH]1)c2c[nH]c3c2cccc3 AIFCHEM-6329686228 [0,0,1,1,0,0|1,0,1]=4 75 B18R3.50 O=c1cncc([nH]1)c2c[nH]c3c2cccc3 AIFCHEM-6391358280 [0,0,1,1,0,0|1,0,0]=3 76 B18R3.50 O=c1cncc([nH]1)c2c[nH]c3c2cccn3 AIFCHEM-6405653549 [0,0,1,1,0,0|2,0,0]=4 77 B18R3.3934 Nc1ccccc1c2ccnc(c2)C3CC3 AIFCHEM-6304367336 [0,0,1,1,0,0|1,0,1]=4 78 B18R3.47120 Cc1cccnc1C2=Cc3ccccc3C2 AIFCHEM-6388767839 [0,0,1,1,0,0|2,0,0]=4 79 B16R2.3270 NC(=O)c1ccc(s1)c2ccccc2N AIFCHEM-94596649621 [0,0,1,0,1,0|2,0,0]=4 80 B16R2.3270 Nc1ccccc1c2ccc(o2)C(=O)O AIFCHEM-6334967353 [0,0,1,0,1,0|2,0,0]=4 81 B18R2.4747 CC(=O)Nc1cc(ccn1)c2ccc[nH]c2=O AIFCHEM-6349844115 [0,0,1,0,0,1|2,0,0]=4 82 B18R2.4747 CC(=O)Nc1cc(ccn1)c2cnccc2F AIFCHEM-6340323571 [0,0,1,0,0,1|2,0,0]=4 83 B18R2.4747 CC(=O)Nc1cc(ccn1)c2nccnc2N AIFCHEM-5989054187 [0,0,1,0,0,1|2,0,0]=4 84 B18R2.4747 CC(=O)Nc1cc(ccn1)c2ncncc2N AIFCHEM-6240986718 [0,0,1,0,0,1|2,0,0]=4 85 B18R2.4747 CC(=O)Nc1cccc(c1)c2ccccc2N AIFCHEM-94569939595 [0,0,1,0,0,1|1,0,0]=3 86 B18R2.4747 CC(=O)Nc1cccc(c1)c2ccccc2O AIFCHEM-6341521522 [0,0,1,0,0,1|2,0,0]=4 87 B18R2.4747 CC(=O)Nc1cccc(c1)c2ccncc2N AIFCHEM-5941843453 [0,0,1,0,0,1|2,0,0]=4 88 B18R2.4747 CC(=O)Nc1cccc(c1)c2ncccc2N AIFCHEM-6324312991 [0,0,1,0,0,1|2,0,0]=4 89 B18R2.4747 CC(=O)Nc1cccc(n1)c2ccccc2N AIFCHEM-94596644338 [0,0,1,0,0,1|2,0,0]=4 90 B18R2.4747 CC(=O)Oc1cccc(c1)c2ccccc2N AIFCHEM-94596646455 [0,0,1,0,0,1|1,0,0]=3 91 B18R2.4747 CC(C)Oc1cc(ccn1)c2ccccc2N AIFCHEM-94596637955 [0,0,1,0,0,1|1,0,1]=4 92 B18R2.7138 O=C(O)c1ccccc1CNc2ccccc2 AIFCHEM-94577022620 [0,0,1,0,0,1|2,0,0]=4 93 B18R2.39461 CC(=O)Nc1cccc(c1C)c2ccccc2 AIFCHEM-96669954863 [0,0,1,0,0,1|2,0,0]=4 94 B18R2.39461 CC(=O)Nc1cccc(c1F)c2ccccc2 AIFCHEM-40382511473 [0,0,1,0,0,1|2,0,0]=4 95 B18R2.39461 CC(=O)Nc1cccc(c1O)c2ccccc2 AIFCHEM-99786251304 [0,0,1,0,0,1|2,0,0]=4 96 B20R3.426858 CC(O)C=Cc1nccc2c1[nH]c3c2cccc3 AIFCHEM-6291310403 [0,0,0,0,0,2|0,0,2]=4