0 B17R3.8 C1=C(CCCC1)c2csc3c2cccc3 271570a_100000062251_100009813928 [0,0,0,0,0,0|3,0,1]=4 1 B17R3.8 C1=C(CCCC1)c2n[nH]c3c2cccc3 271570a_100000062251_100000050141 [0,0,0,0,0,0|3,0,1]=4 2 B17R3.8 C1=C(CCNC1)c2coc3c2cccc3 271570a_100000731432_100009812202 [0,0,0,0,0,0|2,1,1]=4 3 B17R3.8 C1=C(CCNC1)c2csc3c2cccc3 271570a_100000731432_100009813928 [0,0,0,0,0,0|2,0,1]=3 4 B17R3.8 C1=C(CCNC1)c2csc3c2cccn3 271570a_100000731432_100009830249 [0,0,0,0,0,0|3,0,1]=4 5 B17R3.8 C1=C(CCNC1)c2csc3c2ccnc3 271570a_100000731432_100009817111 [0,0,0,0,0,0|3,0,1]=4 6 B17R3.8 C1=C(CCNC1)c2csc3c2cncc3 271570a_100000731432_100010247091 [0,0,0,0,0,0|3,0,1]=4 7 B17R3.8 C1=C(CCNC1)c2csc3c2nccc3 271570a_100000731432_100010247092 [0,0,0,0,0,0|3,0,1]=4 8 B17R3.8 C1=C(CCNC1)c2n[nH]c3c2cccc3 271570a_100000731432_100000050141 [0,0,0,0,0,0|2,0,1]=3 9 B17R3.8 C1=C(CCNC1)c2n[nH]c3c2cccn3 271570a_100000731432_100009888962 [0,0,0,0,0,0|3,0,1]=4 10 B17R3.8 C1=C(CCNC1)c2n[nH]c3c2ccnc3 271570a_100000731432_100010244369 [0,0,0,0,0,0|3,0,1]=4 11 B17R3.8 C1=C(CCNC1)c2n[nH]c3c2cncc3 271570a_100000731432_100010724670 [0,0,0,0,0,0|3,0,1]=4 12 B17R3.8 C1=C(CCNC1)c2n[nH]c3c2nccc3 271570a_100000731432_100009817118 [0,0,0,0,0,0|3,0,1]=4 13 B17R3.8 C1=C(CCNC1)c2ncn3c2cccc3 271570a_100000731432_100000688344 [0,0,0,0,0,0|3,0,1]=4 14 B17R3.8 C1=C(CCNC1)c2nnc3n2cccc3 271570a_100000731432_100000699609 [0,0,0,0,0,0|3,0,1]=4 15 B17R3.8 C1=C(CCOC1)c2csc3c2cccc3 271570a_100000070234_100009813928 [0,0,0,0,0,0|3,0,1]=4 16 B17R3.8 C1=C(CCOC1)c2n[nH]c3c2cccc3 271570a_100000070234_100000050141 [0,0,0,0,0,0|3,0,1]=4 17 B17R3.8 C1=C(CCSC1)c2csc3c2cccc3 271570a_100010232141_100009813928 [0,0,0,0,0,0|3,0,1]=4 18 B17R3.8 C1=C(CCSC1)c2n[nH]c3c2cccc3 271570a_100010232141_100000050141 [0,0,0,0,0,0|3,0,1]=4 19 B17R3.8 C1=CCN(CC1)c2n[nH]c3c2cccn3 27a_100000698166_100009818534 [0,0,0,0,0,0|3,0,1]=4 20 B17R3.8 C1=CCN(CC1)c2n[nH]c3c2cncc3 27a_100000698166_100009820117 [0,0,0,0,0,0|3,0,1]=4 21 B17R3.8 C1=CCN(CC1)c2n[nH]c3c2nccc3 27a_100000698166_100009817118 [0,0,0,0,0,0|3,0,1]=4 22 B17R3.8 c1cc2[nH]nc(c2cn1)N3CCOCC3 27a_100015191051_100009820117 [0,0,0,0,0,0|3,0,0]=3 23 B17R3.8 c1cc2[nH]nc(c2cn1)N3CCSCC3 27a_100000737611_100009820117 [0,0,0,0,0,0|3,0,0]=3 24 B17R3.8 c1ccc2c(c1)CCC2N3CCOCC3 2230a_100015191051_200000721974 [0,0,0,0,0,0|3,0,1]=4 25 B17R3.8 c1ccc2c(c1)CCC2N3CCOCC3 269982a_100015191051_200000721974 [0,0,0,0,0,0|3,0,1]=4 26 B17R3.8 c1ccc2c(c1)CCC2N3CCSCC3 2230a_100000737611_200000721974 [0,0,0,0,0,0|3,0,1]=4 27 B17R3.8 c1ccc2c(c1)CCC2N3CCSCC3 269982a_100000737611_200000721974 [0,0,0,0,0,0|3,0,1]=4 28 B17R3.8 c1cnc2[nH]nc(c2c1)N3CCOCC3 27a_100015191051_100009818534 [0,0,0,0,0,0|3,0,0]=3 29 B17R3.8 c1cnc2[nH]nc(c2c1)N3CCSCC3 27a_100000737611_100009818534 [0,0,0,0,0,0|3,0,0]=3 30 B17R3.8 c1cnc2c(csc2n1)N3CCOCC3 27a_100015191051_100010174841 [0,0,0,0,0,0|4,0,0]=4 31 B17R3.8 c1cnc2c(csc2n1)N3CCSCC3 27a_100000737611_100010174841 [0,0,0,0,0,0|4,0,0]=4 32 B17R3.8 c1cnc2c(n[nH]c2c1)N3CCOCC3 27a_100015191051_100009817118 [0,0,0,0,0,0|3,0,0]=3 33 B17R3.8 c1cnc2c(n[nH]c2c1)N3CCSCC3 27a_100000737611_100009817118 [0,0,0,0,0,0|3,0,0]=3 34 B17R3.8 c1cnc2c(n[nH]c2n1)N3CCOCC3 27a_100015191051_100009819591 [0,0,0,0,0,0|4,0,0]=4 35 B17R3.8 c1cnc2c(n[nH]c2n1)N3CCSCC3 27a_100000737611_100009819591 [0,0,0,0,0,0|4,0,0]=4 36 B17R3.8 c1ncc2c(n[nH]c2n1)N3CCOCC3 27a_100015191051_100009875510 [0,0,0,0,0,0|4,0,0]=4 37 B17R3.8 c1ncc2c(n[nH]c2n1)N3CCSCC3 27a_100000737611_100009875510 [0,0,0,0,0,0|4,0,0]=4 38 B18R3.48 C=C1CCN(CC1)c2n[nH]c3c2cccn3 27a_100000752442_100009818534 [0,1,0,0,0,0|3,0,0]=4 39 B18R3.48 C=C1CCN(CC1)c2n[nH]c3c2cncc3 27a_100000752442_100009820117 [0,1,0,0,0,0|3,0,0]=4 40 B18R3.48 C=C1CCN(CC1)c2n[nH]c3c2nccc3 27a_100000752442_100009817118 [0,1,0,0,0,0|3,0,0]=4 41 B18R3.48 CC1CCN(CC1)c2n[nH]c3c2cccn3 27a_100000188429_100009818534 [0,1,0,0,0,0|3,0,0]=4 42 B18R3.48 CC1CCN(CC1)c2n[nH]c3c2cncc3 27a_100000188429_100009820117 [0,1,0,0,0,0|3,0,0]=4 43 B18R3.48 CC1CCN(CC1)c2n[nH]c3c2nccc3 27a_100000188429_100009817118 [0,1,0,0,0,0|3,0,0]=4 44 B18R3.48 CN1CCC(CC1)c2c[nH]c3c2cccc3 2230a_100000242038_200000210301 [0,1,0,0,0,0|3,0,0]=4 45 B18R3.48 CN1CCC(CC1)c2c[nH]c3c2cccc3 269982a_100000242038_200000210301 [0,1,0,0,0,0|3,0,0]=4 46 B18R3.48 CN1CCC(CC1)c2nnc3n2cccc3 2230a_100000204666_200000210301 [0,1,0,0,0,0|3,0,0]=4 47 B18R3.48 CN1CCC(CC1)c2nnc3n2cccc3 269982a_100000204666_200000210301 [0,1,0,0,0,0|3,0,0]=4 48 B18R3.48 CN1CCC(CC1)c2noc3c2cccc3 2230a_100020645495_200000210301 [0,1,0,0,0,0|1,1,0]=3 49 B18R3.48 CN1CCC(CC1)c2noc3c2cccc3 269982a_100020645495_200000210301 [0,1,0,0,0,0|1,1,0]=3 50 B18R3.48 CN1CCC(CC1)n2nnc3c2cccc3 2230a_106630657875_200000210301 [0,1,0,0,0,0|3,0,0]=4 51 B18R3.48 CN1CCC(CC1)n2nnc3c2cccc3 269982a_106630657875_200000210301 [0,1,0,0,0,0|3,0,0]=4 52 B18R3.48 CN1CCN(CC1)C2CCc3c2cccc3 2230a_100000188432_200000721974 [0,1,0,0,0,0|2,0,1]=4 53 B18R3.48 CN1CCN(CC1)C2CCc3c2cccc3 2230a_100011401300_200000210301 [0,1,0,0,0,0|2,0,1]=4 54 B18R3.48 CN1CCN(CC1)C2CCc3c2cccc3 269982a_100000188432_200000721974 [0,1,0,0,0,0|2,0,1]=4 55 B18R3.48 CN1CCN(CC1)C2CCc3c2cccc3 269982a_100011401300_200000210301 [0,1,0,0,0,0|2,0,1]=4 56 B18R3.48 CN1CCN(CC1)C2CCc3c2cccc3 34a_100011401300_200000210301 [0,1,0,0,0,0|2,0,1]=4 57 B18R3.48 CN1CCN(CC1)c2csc3c2nccn3 27a_100000188432_100010174841 [0,1,0,0,0,0|3,0,0]=4 58 B18R3.48 CN1CCN(CC1)c2n[nH]c3c2cccn3 27a_100000188432_100009818534 [0,1,0,0,0,0|2,0,0]=3 59 B18R3.48 CN1CCN(CC1)c2n[nH]c3c2cncc3 27a_100000188432_100009820117 [0,1,0,0,0,0|2,0,0]=3 60 B18R3.48 CN1CCN(CC1)c2n[nH]c3c2cncn3 27a_100000188432_100009875510 [0,1,0,0,0,0|3,0,0]=4 61 B18R3.48 CN1CCN(CC1)c2n[nH]c3c2nccc3 27a_100000188432_100009817118 [0,1,0,0,0,0|2,0,0]=3 62 B18R3.48 CN1CCN(CC1)c2n[nH]c3c2nccn3 27a_100000188432_100009819591 [0,1,0,0,0,0|3,0,0]=4 63 B18R3.48 CN1CCN(CC1)c2nsc3c2cccc3 2230a_100015183696_200000210301 [0,1,0,0,0,0|0,0,0]=1 64 B18R3.48 CN1CCN(CC1)c2nsc3c2cccc3 269982a_100015183696_200000210301 [0,1,0,0,0,0|0,0,0]=1 65 B18R3.48 FC1CCN(CC1)c2n[nH]c3c2cccn3 27a_100015193889_100009818534 [0,1,0,0,0,0|3,0,0]=4 66 B18R3.48 FC1CCN(CC1)c2n[nH]c3c2cncc3 27a_100015193889_100009820117 [0,1,0,0,0,0|3,0,0]=4 67 B18R3.48 FC1CCN(CC1)c2n[nH]c3c2nccc3 27a_100015193889_100009817118 [0,1,0,0,0,0|3,0,0]=4 68 B18R3.48 O=S1CCN(CC1)c2n[nH]c3c2cccn3 27a_100000752083_100009818534 [0,1,0,0,0,0|3,0,0]=4 69 B18R3.48 O=S1CCN(CC1)c2n[nH]c3c2cncc3 27a_100000752083_100009820117 [0,1,0,0,0,0|3,0,0]=4 70 B18R3.48 O=S1CCN(CC1)c2n[nH]c3c2nccc3 27a_100000752083_100009817118 [0,1,0,0,0,0|3,0,0]=4 71 B18R3.48 OC1CCN(CC1)c2n[nH]c3c2cccn3 27a_100025773856_100009818534 [0,1,0,0,0,0|3,0,0]=4 72 B18R3.48 OC1CCN(CC1)c2n[nH]c3c2cncc3 27a_100025773856_100009820117 [0,1,0,0,0,0|3,0,0]=4 73 B18R3.48 OC1CCN(CC1)c2n[nH]c3c2nccc3 27a_100025773856_100009817118 [0,1,0,0,0,0|3,0,0]=4 74 B18R3.48 [13CH3]N1CCC(CC1)c2c[nH]c3c2cccc3 2230a_100000242038_200025704644 [0,1,0,0,0,0|3,0,0]=4 75 B18R3.48 [13CH3]N1CCC(CC1)c2c[nH]c3c2cccc3 269982a_100000242038_200025704644 [0,1,0,0,0,0|3,0,0]=4 76 B18R3.48 [13CH3]N1CCC(CC1)c2nnc3n2cccc3 2230a_100000204666_200025704644 [0,1,0,0,0,0|3,0,0]=4 77 B18R3.48 [13CH3]N1CCC(CC1)c2nnc3n2cccc3 269982a_100000204666_200025704644 [0,1,0,0,0,0|3,0,0]=4 78 B18R3.48 [13CH3]N1CCC(CC1)c2noc3c2cccc3 2230a_100020645495_200025704644 [0,1,0,0,0,0|1,1,0]=3 79 B18R3.48 [13CH3]N1CCC(CC1)c2noc3c2cccc3 269982a_100020645495_200025704644 [0,1,0,0,0,0|1,1,0]=3 80 B18R3.48 [13CH3]N1CCC(CC1)n2nnc3c2cccc3 2230a_106630657875_200025704644 [0,1,0,0,0,0|3,0,0]=4 81 B18R3.48 [13CH3]N1CCC(CC1)n2nnc3c2cccc3 269982a_106630657875_200025704644 [0,1,0,0,0,0|3,0,0]=4 82 B18R3.48 [13CH3]N1CCN(CC1)C2CCc3c2cccc3 2230a_100011401300_200025704644 [0,1,0,0,0,0|2,0,1]=4 83 B18R3.48 [13CH3]N1CCN(CC1)C2CCc3c2cccc3 269982a_100011401300_200025704644 [0,1,0,0,0,0|2,0,1]=4 84 B18R3.48 [13CH3]N1CCN(CC1)C2CCc3c2cccc3 34a_100011401300_200025704644 [0,1,0,0,0,0|2,0,1]=4 85 B18R3.48 [13CH3]N1CCN(CC1)c2nsc3c2cccc3 2230a_100015183696_200025704644 [0,1,0,0,0,0|0,0,0]=1 86 B18R3.48 [13CH3]N1CCN(CC1)c2nsc3c2cccc3 269982a_100015183696_200025704644 [0,1,0,0,0,0|0,0,0]=1 87 B18R3.50 CC1CN(CCO1)c2n[nH]c3c2cccn3 27a_100000729577_100009818534 [0,1,0,0,0,0|3,0,0]=4 88 B18R3.50 CC1CN(CCO1)c2n[nH]c3c2cncc3 27a_100000729577_100009820117 [0,1,0,0,0,0|3,0,0]=4 89 B18R3.50 CC1CN(CCO1)c2n[nH]c3c2nccc3 27a_100000729577_100009817118 [0,1,0,0,0,0|3,0,0]=4 90 B18R3.50 C[C@H]1CCCN(C1)c2n[nH]c3c2cccn3 27a_100000717927_100009818534 [0,1,0,0,0,0|3,0,0]=4 91 B18R3.50 C[C@H]1CCCN(C1)c2n[nH]c3c2cncc3 27a_100000717927_100009820117 [0,1,0,0,0,0|3,0,0]=4 92 B18R3.50 C[C@H]1CCCN(C1)c2n[nH]c3c2nccc3 27a_100000717927_100009817118 [0,1,0,0,0,0|3,0,0]=4 93 B18R3.50 FC1CCCN(C1)c2n[nH]c3c2cccn3 27a_100000697950_100009818534 [0,1,0,0,0,0|3,0,0]=4 94 B18R3.50 FC1CCCN(C1)c2n[nH]c3c2cncc3 27a_100000697950_100009820117 [0,1,0,0,0,0|3,0,0]=4 95 B18R3.50 FC1CCCN(C1)c2n[nH]c3c2nccc3 27a_100000697950_100009817118 [0,1,0,0,0,0|3,0,0]=4 96 B18R3.50 O=C1CN(CCN1)c2n[nH]c3c2cccn3 27a_100000184651_100009818534 [0,1,0,0,0,0|2,0,1]=4 97 B18R3.50 O=C1CN(CCN1)c2n[nH]c3c2cncc3 27a_100000184651_100009820117 [0,1,0,0,0,0|2,0,1]=4 98 B18R3.50 O=C1CN(CCN1)c2n[nH]c3c2nccc3 27a_100000184651_100009817118 [0,1,0,0,0,0|2,0,1]=4 99 B18R3.50 OC1CCCN(C1)c2n[nH]c3c2cccn3 27a_100000211013_100009818534 [0,1,0,0,0,0|3,0,0]=4 100 B18R3.50 OC1CCCN(C1)c2n[nH]c3c2cncc3 27a_100000211013_100009820117 [0,1,0,0,0,0|3,0,0]=4 101 B18R3.50 OC1CCCN(C1)c2n[nH]c3c2nccc3 27a_100000211013_100009817118 [0,1,0,0,0,0|3,0,0]=4 102 B18R3.54 Brc1ccc2c(n[nH]c2c1)C3=CCNCC3 271570a_100000731432_100010186045 [0,1,0,0,0,0|2,0,1]=4 103 B18R3.54 Brc1cnc2c(n[nH]c2c1)N3CCOCC3 27a_100015191051_100010289622 [0,1,0,0,0,0|3,0,0]=4 104 B18R3.54 Brc1cnc2c(n[nH]c2c1)N3CCSCC3 27a_100000737611_100010289622 [0,1,0,0,0,0|3,0,0]=4 105 B18R3.54 Cc1ccc2c(n[nH]c2c1)C3=CCNCC3 271570a_100000731432_100000049534 [0,1,0,0,0,0|2,0,1]=4 106 B18R3.54 Clc1ccc2c(n[nH]c2c1)C3=CCNCC3 271570a_100000731432_100000049627 [0,1,0,0,0,0|2,0,1]=4 107 B18R3.54 Fc1ccc2c(n[nH]c2c1)C3=CCNCC3 271570a_100000731432_100000049990 [0,1,0,0,0,0|2,0,1]=4 108 B18R3.54 Nc1ccc2c(n[nH]c2c1)C3=CCNCC3 271570a_100000731432_100009816878 [0,1,0,0,0,0|2,0,1]=4 109 B18R3.102 CC1CCCCN1c2n[nH]c3c2cccn3 27a_100000211376_100009818534 [0,1,0,0,0,0|3,0,0]=4 110 B18R3.102 CC1CCCCN1c2n[nH]c3c2cncc3 27a_100000211376_100009820117 [0,1,0,0,0,0|3,0,0]=4 111 B18R3.102 CC1CCCCN1c2n[nH]c3c2nccc3 27a_100000211376_100009817118 [0,1,0,0,0,0|3,0,0]=4 112 B18R3.102 C[C@H]1COCCN1c2n[nH]c3c2cccn3 27a_100009815349_100009818534 [0,1,0,0,0,0|3,0,0]=4 113 B18R3.102 C[C@H]1COCCN1c2n[nH]c3c2cncc3 27a_100009815349_100009820117 [0,1,0,0,0,0|3,0,0]=4 114 B18R3.102 C[C@H]1COCCN1c2n[nH]c3c2nccc3 27a_100009815349_100009817118 [0,1,0,0,0,0|3,0,0]=4 115 B18R3.182 Cc1sc2ccccc2c1C3=CCNCC3 271570a_100000731432_100010002616 [0,1,0,0,0,0|2,0,1]=4 116 B18R3.4253 Brc1ccc2[nH]nc(c2c1)C3=CCNCC3 271570a_100000731432_100010186058 [0,1,0,0,0,0|2,0,1]=4 117 B18R3.4253 Cc1ccc2[nH]nc(c2c1)C3=CCNCC3 271570a_100000731432_100000123028 [0,1,0,0,0,0|2,0,1]=4 118 B18R3.4253 Clc1ccc2[nH]nc(c2c1)C3=CCNCC3 271570a_100000731432_100010174404 [0,1,0,0,0,0|2,0,1]=4 119 B18R3.4253 Fc1ccc2[nH]nc(c2c1)C3=CCNCC3 271570a_100000731432_100011934747 [0,1,0,0,0,0|2,0,1]=4 120 B18R3.4253 Nc1ccc2[nH]nc(c2c1)C3=CCNCC3 271570a_100000731432_100012353729 [0,1,0,0,0,0|2,0,1]=4 121 B18R3.4253 Nc1ccc2scc(c2c1)C3=CCNCC3 271570a_100000731432_100011178648 [0,1,0,0,0,0|2,0,1]=4 122 B18R3.5867 Brc1cccc2c1[nH]nc2C3=CCNCC3 271570a_100000731432_100010197283 [0,1,0,0,0,0|2,0,1]=4 123 B18R3.5867 Cc1cccc2c1[nH]nc2C3=CCNCC3 271570a_100000731432_100010186057 [0,1,0,0,0,0|2,0,1]=4 124 B18R3.5867 Clc1cccc2c1[nH]nc2C3=CCNCC3 271570a_100000731432_100000050086 [0,1,0,0,0,0|2,0,1]=4 125 B18R3.5867 Fc1cccc2c1[nH]nc2C3=CCNCC3 271570a_100000731432_100010231504 [0,1,0,0,0,0|2,0,1]=4 126 B18R3.5867 Nc1cccc2c1[nH]nc2C3=CCNCC3 271570a_100000731432_100009888981 [0,1,0,0,0,0|2,0,1]=4 127 B18R3.5867 Oc1cccc2c1[nH]nc2C3=CCNCC3 271570a_100000731432_200010988877 [0,1,0,0,0,0|2,0,1]=4 128 B18R3.5897 Brc1cccc2c1c(n[nH]2)C3=CCNCC3 271570a_100000731432_100010186043 [0,1,0,0,0,0|2,0,1]=4 129 B18R3.5897 Cc1cccc2c1c(n[nH]2)C3=CCNCC3 271570a_100000731432_100000049903 [0,1,0,0,0,0|2,0,1]=4 130 B18R3.5897 Clc1cccc2c1c(n[nH]2)C3=CCNCC3 271570a_100000731432_100000049730 [0,1,0,0,0,0|2,0,1]=4 131 B18R3.5897 Fc1cccc2c1c(n[nH]2)C3=CCNCC3 271570a_100000731432_100000049989 [0,1,0,0,0,0|2,0,1]=4 132 B18R3.5897 Nc1cccc2c1c(n[nH]2)C3=CCNCC3 271570a_100000731432_100010186038 [0,1,0,0,0,0|2,0,1]=4 133 B18R3.11551 Cn1nc(c2c1cccc2)C3=CCNCC3 271570a_100000731432_100009817141 [0,1,0,0,0,0|2,0,1]=4 134 B18R3.11551 Cn1nc(c2c1nccc2)N3CCOCC3 27a_100015191051_100010248644 [0,1,0,0,0,0|3,0,0]=4 135 B18R3.11551 Cn1nc(c2c1nccc2)N3CCSCC3 27a_100000737611_100010248644 [0,1,0,0,0,0|3,0,0]=4 136 B16R2.6 CCCCCNc1n[nH]c2c1cccn2 27a_100000209983_100009818534 [0,0,1,0,0,0|3,0,0]=4 137 B16R2.6 CCCCCNc1n[nH]c2c1cncc2 27a_100000209983_100009820117 [0,0,1,0,0,0|3,0,0]=4 138 B16R2.6 CCCCCNc1n[nH]c2c1nccc2 27a_100000209983_100009817118 [0,0,1,0,0,0|3,0,0]=4 139 B16R2.6 CCCCCOc1csc2c1cccc2 34a_100000077758_100000718602 [0,0,1,0,0,0|3,0,0]=4 140 B16R2.6 CCCCCOc1csc2c1cccc2 7a_100000077758_100000210326 [0,0,1,0,0,0|3,0,0]=4 141 B16R2.6 CCCCCSc1n[nH]c2c1cccc2 62a_100000210326_100000050141 [0,0,1,0,0,0|3,0,0]=4 142 B16R2.6 CCCCCSc1noc2c1cccc2 62a_100000210326_200000703156 [0,0,1,0,0,0|2,1,0]=4 143 B16R2.6 CCCCCSc1noc2c1cccc2 62a_200000703156_100000210326 [0,0,1,0,0,0|2,1,0]=4 144 B16R2.6 CCOCCNc1n[nH]c2c1cccn2 27a_100011200944_100009818534 [0,0,1,0,0,0|3,0,0]=4 145 B16R2.6 CCOCCNc1n[nH]c2c1cncc2 27a_100011200944_100009820117 [0,0,1,0,0,0|3,0,0]=4 146 B16R2.6 CCOCCNc1n[nH]c2c1nccc2 27a_100011200944_100009817118 [0,0,1,0,0,0|3,0,0]=4 147 B16R2.6 CCOCCOc1csc2c1cccc2 34a_100000077758_100000210147 [0,0,1,0,0,0|3,0,0]=4 148 B16R2.6 CCOCCOc1csc2c1cccc2 7a_100000077758_100011215890 [0,0,1,0,0,0|3,0,0]=4 149 B16R2.6 CCOCCSc1csc2c1cccc2 62a_100000210147_100009813928 [0,0,1,0,0,0|3,0,0]=4 150 B16R2.6 CCOCCSc1n[nH]c2c1cccc2 62a_100000210147_100000050141 [0,0,1,0,0,0|3,0,0]=4 151 B16R2.6 CCOCCSc1noc2c1cccc2 62a_100000210147_200000703156 [0,0,1,0,0,0|2,1,0]=4 152 B16R2.6 CCOCCSc1noc2c1cccc2 62a_200000703156_100011215890 [0,0,1,0,0,0|2,1,0]=4 153 B16R2.6 CCSCCNc1n[nH]c2c1cccn2 27a_100000106463_100009818534 [0,0,1,0,0,0|3,0,0]=4 154 B16R2.6 CCSCCNc1n[nH]c2c1cncc2 27a_100000106463_100009820117 [0,0,1,0,0,0|3,0,0]=4 155 B16R2.6 CCSCCNc1n[nH]c2c1nccc2 27a_100000106463_100009817118 [0,0,1,0,0,0|3,0,0]=4 156 B16R2.6 CCSCCOc1csc2c1cccc2 34a_100000077758_100000757381 [0,0,1,0,0,0|3,0,0]=4 157 B16R2.6 CCSCCOc1csc2c1cccc2 7a_100000077758_100000757381 [0,0,1,0,0,0|3,0,0]=4 158 B16R2.6 CCSCCSc1csc2c1cccc2 62a_100000757381_100009813928 [0,0,1,0,0,0|3,0,0]=4 159 B16R2.6 CCSCCSc1n[nH]c2c1cccc2 62a_100000757381_100000050141 [0,0,1,0,0,0|3,0,0]=4 160 B16R2.6 CCSCCSc1noc2c1cccc2 62a_100000757381_200000703156 [0,0,1,0,0,0|2,1,0]=4 161 B16R2.6 CCSCCSc1noc2c1cccc2 62a_200000703156_100000757381 [0,0,1,0,0,0|2,1,0]=4 162 B16R2.37 CCCCN(C)c1n[nH]c2c1cccn2 27a_100000207549_100009818534 [0,0,1,0,0,0|3,0,0]=4 163 B16R2.37 CCCCN(C)c1n[nH]c2c1cncc2 27a_100000207549_100009820117 [0,0,1,0,0,0|3,0,0]=4 164 B16R2.37 CCCCN(C)c1n[nH]c2c1nccc2 27a_100000207549_100009817118 [0,0,1,0,0,0|3,0,0]=4 165 B16R2.37 COCCN(C)c1n[nH]c2c1cccn2 27a_100000743101_100009818534 [0,0,1,0,0,0|3,0,0]=4 166 B16R2.37 COCCN(C)c1n[nH]c2c1cncc2 27a_100000743101_100009820117 [0,0,1,0,0,0|3,0,0]=4 167 B16R2.37 COCCN(C)c1n[nH]c2c1nccc2 27a_100000743101_100009817118 [0,0,1,0,0,0|3,0,0]=4 168 B16R2.37 CSCCN(C)c1n[nH]c2c1cccn2 27a_100000686725_100009818534 [0,0,1,0,0,0|3,0,0]=4 169 B16R2.37 CSCCN(C)c1n[nH]c2c1cncc2 27a_100000686725_100009820117 [0,0,1,0,0,0|3,0,0]=4 170 B16R2.37 CSCCN(C)c1n[nH]c2c1nccc2 27a_100000686725_100009817118 [0,0,1,0,0,0|3,0,0]=4 171 B16R2.172 C=Cc1ccccc1CN2CCNCC2 271570a_100011290941_100015186962 [0,0,1,0,0,0|2,0,1]=4 172 B16R2.172 CSc1ccccc1CN2CCCCC2 62a_100000174427_200000210301 [0,0,1,0,0,0|2,0,1]=4 173 B16R2.172 CSc1ccccc1CN2CCCCC2 62a_200000210301_100000174427 [0,0,1,0,0,0|2,0,1]=4 174 B16R2.172 CSc1ccccc1CN2CCNCC2 62a_100015186962_200000210301 [0,0,1,0,0,0|1,0,1]=3 175 B16R2.172 CSc1ccccc1CN2CCNCC2 62a_200000210301_100015186962 [0,0,1,0,0,0|1,0,1]=3 176 B16R2.172 CSc1ccccc1CN2CCOCC2 2230a_100015191051_100000699184 [0,0,1,0,0,0|2,0,1]=4 177 B16R2.172 CSc1ccccc1CN2CCOCC2 269982a_100015191051_100000699184 [0,0,1,0,0,0|2,0,1]=4 178 B16R2.172 CSc1ccccc1CN2CCOCC2 270004a_100015191051_100011217347 [0,0,1,0,0,0|2,0,1]=4 179 B16R2.172 CSc1ccccc1CN2CCOCC2 34a_100015191051_100000699184 [0,0,1,0,0,0|2,0,1]=4 180 B16R2.172 CSc1ccccc1CN2CCOCC2 62a_100000174656_200000210301 [0,0,1,0,0,0|2,0,1]=4 181 B16R2.172 CSc1ccccc1CN2CCOCC2 62a_200000210301_100000174656 [0,0,1,0,0,0|2,0,1]=4 182 B16R2.172 CSc1ccccc1CN2CCSCC2 2230a_100000737611_100000699184 [0,0,1,0,0,0|2,0,1]=4 183 B16R2.172 CSc1ccccc1CN2CCSCC2 269982a_100000737611_100000699184 [0,0,1,0,0,0|2,0,1]=4 184 B16R2.172 CSc1ccccc1CN2CCSCC2 270004a_100000737611_100011217347 [0,0,1,0,0,0|2,0,1]=4 185 B16R2.172 [13CH3]Sc1ccccc1CN2CCCCC2 62a_100000174427_200025704644 [0,0,1,0,0,0|2,0,1]=4 186 B16R2.172 [13CH3]Sc1ccccc1CN2CCCCC2 62a_200025704644_100000174427 [0,0,1,0,0,0|2,0,1]=4 187 B16R2.172 [13CH3]Sc1ccccc1CN2CCNCC2 62a_100015186962_200025704644 [0,0,1,0,0,0|1,0,1]=3 188 B16R2.172 [13CH3]Sc1ccccc1CN2CCNCC2 62a_200025704644_100015186962 [0,0,1,0,0,0|1,0,1]=3 189 B16R2.172 [13CH3]Sc1ccccc1CN2CCOCC2 62a_100000174656_200025704644 [0,0,1,0,0,0|2,0,1]=4 190 B16R2.172 [13CH3]Sc1ccccc1CN2CCOCC2 62a_200025704644_100000174656 [0,0,1,0,0,0|2,0,1]=4 191 B16R2.185 CCCN(CC)c1n[nH]c2c1cccn2 27a_100000226822_100009818534 [0,0,1,0,0,0|3,0,0]=4 192 B16R2.185 CCCN(CC)c1n[nH]c2c1cncc2 27a_100000226822_100009820117 [0,0,1,0,0,0|3,0,0]=4 193 B16R2.185 CCCN(CC)c1n[nH]c2c1nccc2 27a_100000226822_100009817118 [0,0,1,0,0,0|3,0,0]=4 194 B16R2.185 CCN(CCO)c1n[nH]c2c1cccn2 27a_100000210973_100009818534 [0,0,1,0,0,0|3,0,0]=4 195 B16R2.185 CCN(CCO)c1n[nH]c2c1cncc2 27a_100000210973_100009820117 [0,0,1,0,0,0|3,0,0]=4 196 B16R2.185 CCN(CCO)c1n[nH]c2c1nccc2 27a_100000210973_100009817118 [0,0,1,0,0,0|3,0,0]=4 197 B16R2.2256 C(=NNc1ccccc1)C2CCCCC2 4a_100015195140_100000211278 [0,0,1,0,0,0|3,0,0]=4 198 B16R2.2256 C(=NNc1ccccc1)C2CCOCC2 4a_100015195140_100000749017 [0,0,1,0,0,0|3,0,0]=4 199 B16R2.2256 C(=NNc1ccccc1)C2CCSCC2 4a_100015195140_100000067145 [0,0,1,0,0,0|3,0,0]=4 200 B16R2.2256 c1ccc(cc1)SCCN2CCCCC2 62a_100000719477_100000739454 [0,0,1,0,0,0|2,0,1]=4 201 B16R2.2256 c1ccc(cc1)SCCN2CCCCC2 62a_100000739454_100000041952 [0,0,1,0,0,0|2,0,1]=4 202 B16R2.2256 c1ccc(cc1)SCCN2CCOCC2 2230a_100015191051_100000246102 [0,0,1,0,0,0|2,0,1]=4 203 B16R2.2256 c1ccc(cc1)SCCN2CCOCC2 269982a_100015191051_100000246102 [0,0,1,0,0,0|2,0,1]=4 204 B16R2.2256 c1ccc(cc1)SCCN2CCOCC2 34a_100015191051_100000246102 [0,0,1,0,0,0|2,0,1]=4 205 B16R2.2256 c1ccc(cc1)SCCN2CCOCC2 62a_100000719477_100000211760 [0,0,1,0,0,0|2,0,1]=4 206 B16R2.2256 c1ccc(cc1)SCCN2CCSCC2 2230a_100000737611_100000246102 [0,0,1,0,0,0|2,0,1]=4 207 B16R2.2256 c1ccc(cc1)SCCN2CCSCC2 269982a_100000737611_100000246102 [0,0,1,0,0,0|2,0,1]=4 208 B16R2.3896 Cc1ccccc1C(=O)N2CCOCC2 11a_100015191051_100000212026 [0,0,1,0,0,0|3,0,0]=4 209 B16R2.3896 Cc1ccccc1C(=O)N2CCOCC2 1626a_100015191051_100000212026 [0,0,1,0,0,0|3,0,0]=4 210 B16R2.3896 Cc1ccccc1C(=O)N2CCOCC2 240690a_100015191051_100000212026 [0,0,1,0,0,0|3,0,0]=4 211 B16R2.3896 Cc1ccccc1C(=O)N2CCOCC2 527a_100015191051_100000212026 [0,0,1,0,0,0|3,0,0]=4 212 B16R2.3896 Cc1ccccc1C(=O)N2CCSCC2 11a_100000737611_100000212026 [0,0,1,0,0,0|3,0,0]=4 213 B16R2.3896 Cc1ccccc1C(=O)N2CCSCC2 240690a_100000737611_100000212026 [0,0,1,0,0,0|3,0,0]=4 214 B16R2.3896 Cc1ccccc1C(=O)N2CCSCC2 527a_100000737611_100000212026 [0,0,1,0,0,0|3,0,0]=4 215 B16R2.3896 O=C(c1ccccc1Br)N2CCOCC2 11a_100015191051_100000188424 [0,0,1,0,0,0|3,0,0]=4 216 B16R2.3896 O=C(c1ccccc1Br)N2CCOCC2 1626a_100015191051_100000188424 [0,0,1,0,0,0|3,0,0]=4 217 B16R2.3896 O=C(c1ccccc1Br)N2CCOCC2 240690a_100015191051_100000188424 [0,0,1,0,0,0|3,0,0]=4 218 B16R2.3896 O=C(c1ccccc1Br)N2CCOCC2 527a_100015191051_100000188424 [0,0,1,0,0,0|3,0,0]=4 219 B16R2.3896 O=C(c1ccccc1Br)N2CCSCC2 11a_100000737611_100000188424 [0,0,1,0,0,0|3,0,0]=4 220 B16R2.3896 O=C(c1ccccc1Br)N2CCSCC2 240690a_100000737611_100000188424 [0,0,1,0,0,0|3,0,0]=4 221 B16R2.3896 O=C(c1ccccc1Br)N2CCSCC2 527a_100000737611_100000188424 [0,0,1,0,0,0|3,0,0]=4 222 B16R2.3896 O=C(c1ccccc1Cl)N2CCOCC2 11a_100015191051_100000185844 [0,0,1,0,0,0|3,0,0]=4 223 B16R2.3896 O=C(c1ccccc1Cl)N2CCOCC2 1626a_100015191051_100000185844 [0,0,1,0,0,0|3,0,0]=4 224 B16R2.3896 O=C(c1ccccc1Cl)N2CCOCC2 240690a_100015191051_100000185844 [0,0,1,0,0,0|3,0,0]=4 225 B16R2.3896 O=C(c1ccccc1Cl)N2CCOCC2 527a_100015191051_100000185844 [0,0,1,0,0,0|3,0,0]=4 226 B16R2.3896 O=C(c1ccccc1Cl)N2CCSCC2 11a_100000737611_100000185844 [0,0,1,0,0,0|3,0,0]=4 227 B16R2.3896 O=C(c1ccccc1Cl)N2CCSCC2 240690a_100000737611_100000185844 [0,0,1,0,0,0|3,0,0]=4 228 B16R2.3896 O=C(c1ccccc1Cl)N2CCSCC2 527a_100000737611_100000185844 [0,0,1,0,0,0|3,0,0]=4 229 B16R2.3896 O=C(c1ccccc1F)N2CCOCC2 11a_100015191051_100000188656 [0,0,1,0,0,0|3,0,0]=4 230 B16R2.3896 O=C(c1ccccc1F)N2CCOCC2 1626a_100015191051_100000188656 [0,0,1,0,0,0|3,0,0]=4 231 B16R2.3896 O=C(c1ccccc1F)N2CCOCC2 240690a_100015191051_100000188656 [0,0,1,0,0,0|3,0,0]=4 232 B16R2.3896 O=C(c1ccccc1F)N2CCOCC2 527a_100015191051_100000188656 [0,0,1,0,0,0|3,0,0]=4 233 B16R2.3896 O=C(c1ccccc1F)N2CCSCC2 11a_100000737611_100000188656 [0,0,1,0,0,0|3,0,0]=4 234 B16R2.3896 O=C(c1ccccc1F)N2CCSCC2 240690a_100000737611_100000188656 [0,0,1,0,0,0|3,0,0]=4 235 B16R2.3896 O=C(c1ccccc1F)N2CCSCC2 527a_100000737611_100000188656 [0,0,1,0,0,0|3,0,0]=4 236 B16R2.3896 O=C(c1ccccc1I)N2CCOCC2 11a_100015191051_100000187884 [0,0,1,0,0,0|3,0,0]=4 237 B16R2.3896 O=C(c1ccccc1I)N2CCOCC2 1626a_100015191051_100000187884 [0,0,1,0,0,0|3,0,0]=4 238 B16R2.3896 O=C(c1ccccc1I)N2CCOCC2 240690a_100015191051_100000187884 [0,0,1,0,0,0|3,0,0]=4 239 B16R2.3896 O=C(c1ccccc1I)N2CCOCC2 527a_100015191051_100000187884 [0,0,1,0,0,0|3,0,0]=4 240 B16R2.3896 O=C(c1ccccc1I)N2CCSCC2 11a_100000737611_100000187884 [0,0,1,0,0,0|3,0,0]=4 241 B16R2.3896 O=C(c1ccccc1I)N2CCSCC2 240690a_100000737611_100000187884 [0,0,1,0,0,0|3,0,0]=4 242 B16R2.3896 O=C(c1ccccc1I)N2CCSCC2 527a_100000737611_100000187884 [0,0,1,0,0,0|3,0,0]=4 243 B16R2.3896 O=C(c1ccccc1O)N2CCCCC2 271570a_203496583355_200000152729 [0,0,1,0,0,0|2,1,0]=4 244 B16R2.3896 O=C(c1ccccc1O)N2CCOCC2 240690a_100015191051_100015234032 [0,0,1,0,0,0|2,1,0]=4 245 B16R2.3896 O=C(c1ccccc1O)N2CCOCC2 271570a_203496583355_200000154153 [0,0,1,0,0,0|2,1,0]=4 246 B16R2.3896 O=C(c1ccccc1O)N2CCSCC2 240690a_100000737611_100015234032 [0,0,1,0,0,0|2,1,0]=4 247 B16R2.3896 O=C(c1ccccc1[O-])N2CCOCC2 1626a_100015191051_100009911694 [0,0,1,0,0,0|2,1,0]=4 248 B16R2.3896 O=C(c1ccccc1[O-])N2CCOCC2 240690a_100015191051_100009911694 [0,0,1,0,0,0|2,1,0]=4 249 B16R2.3896 O=C(c1ccccc1[O-])N2CCOCC2 527a_100015191051_100009911694 [0,0,1,0,0,0|2,1,0]=4 250 B16R2.3896 O=C(c1ccccc1[O-])N2CCSCC2 240690a_100000737611_100009911694 [0,0,1,0,0,0|2,1,0]=4 251 B16R2.3896 O=C(c1ccccc1[O-])N2CCSCC2 527a_100000737611_100009911694 [0,0,1,0,0,0|2,1,0]=4 252 B18R4.1760 c1cc2[nH]nc(c2cn1)N3CC4CC4C3 27a_100000741873_100009820117 [0,0,0,1,0,0|3,0,0]=4 253 B18R4.1760 c1cnc2[nH]nc(c2c1)N3CC4CC4C3 27a_100000741873_100009818534 [0,0,0,1,0,0|3,0,0]=4 254 B18R4.1760 c1cnc2c(n[nH]c2c1)N3CC4CC4C3 27a_100000741873_100009817118 [0,0,0,1,0,0|3,0,0]=4 255 B16R3.8 C1=C(CCC1)c2csc3c2cccc3 271570a_100000089523_100009813928 [0,0,0,0,1,0|2,0,1]=4 256 B16R3.8 C1=C(CCC1)c2n[nH]c3c2cccc3 271570a_100000089523_100000050141 [0,0,0,0,1,0|2,0,1]=4 257 B16R3.8 c1cc2[nH]nc(c2cn1)N3CCCC3 27a_100000188435_100009820117 [0,0,0,0,1,0|2,0,0]=3 258 B16R3.8 c1cc2[nH]nc(c2cn1)N3CCSC3 27a_100011215254_100009820117 [0,0,0,0,1,0|3,0,0]=4 259 B16R3.8 c1ccc2c(c1)CCC2N3CCCC3 2230a_100000188435_200000721974 [0,0,0,0,1,0|2,0,1]=4 260 B16R3.8 c1ccc2c(c1)CCC2N3CCCC3 269982a_100000188435_200000721974 [0,0,0,0,1,0|2,0,1]=4 261 B16R3.8 c1cnc2[nH]nc(c2c1)N3CCCC3 27a_100000188435_100009818534 [0,0,0,0,1,0|2,0,0]=3 262 B16R3.8 c1cnc2[nH]nc(c2c1)N3CCSC3 27a_100011215254_100009818534 [0,0,0,0,1,0|3,0,0]=4 263 B16R3.8 c1cnc2c(csc2n1)N3CCCC3 27a_100000188435_100010174841 [0,0,0,0,1,0|3,0,0]=4 264 B16R3.8 c1cnc2c(n[nH]c2c1)N3CCCC3 27a_100000188435_100009817118 [0,0,0,0,1,0|2,0,0]=3 265 B16R3.8 c1cnc2c(n[nH]c2c1)N3CCSC3 27a_100011215254_100009817118 [0,0,0,0,1,0|3,0,0]=4 266 B16R3.8 c1cnc2c(n[nH]c2n1)N3CCCC3 27a_100000188435_100009819591 [0,0,0,0,1,0|3,0,0]=4 267 B16R3.8 c1ncc2c(n[nH]c2n1)N3CCCC3 27a_100000188435_100009875510 [0,0,0,0,1,0|3,0,0]=4 268 B16R3.1783 c1ccc2c(c1)CC2N3CCOCC3 269982a_100015191051_100009813401 [0,0,0,0,1,0|2,0,1]=4 269 B16R3.1783 c1ccc2c(c1)CC2N3CCSCC3 269982a_100000737611_100009813401 [0,0,0,0,1,0|2,0,1]=4 270 B18R3.1958 C1=C(CCCCC1)c2n[nH]c3c2cccc3 271570a_200009888920_100000050141 [0,0,0,0,0,1|3,0,0]=4 271 B18R3.1958 c1cc2[nH]nc(c2cn1)N3CCCCCC3 27a_100000185865_100009820117 [0,0,0,0,0,1|3,0,0]=4 272 B18R3.1958 c1cc2[nH]nc(c2cn1)N3CCCOCC3 27a_100000685342_100009820117 [0,0,0,0,0,1|3,0,0]=4 273 B18R3.1958 c1cnc2[nH]nc(c2c1)N3CCCCCC3 27a_100000185865_100009818534 [0,0,0,0,0,1|3,0,0]=4 274 B18R3.1958 c1cnc2[nH]nc(c2c1)N3CCCOCC3 27a_100000685342_100009818534 [0,0,0,0,0,1|3,0,0]=4 275 B18R3.1958 c1cnc2c(n[nH]c2c1)N3CCCCCC3 27a_100000185865_100009817118 [0,0,0,0,0,1|3,0,0]=4 276 B18R3.1958 c1cnc2c(n[nH]c2c1)N3CCCOCC3 27a_100000685342_100009817118 [0,0,0,0,0,1|3,0,0]=4 277 B18R3.2098 C1=CCN(CC1)Cc2csc3c2cccc3 2230a_100000698166_200000742921 [0,0,0,0,0,1|2,0,1]=4 278 B18R3.2098 C1=CCN(CC1)Cc2csc3c2cccc3 269982a_100000698166_200000742921 [0,0,0,0,0,1|2,0,1]=4 279 B18R3.2098 C1=CCN(CC1)Cc2csc3c2cccc3 270004a_100000698166_100000239721 [0,0,0,0,0,1|2,0,1]=4 280 B18R3.2098 C1=CCN(CC1)Cc2csc3c2cccc3 34a_100000698166_200000742921 [0,0,0,0,0,1|2,0,1]=4 281 B18R3.2098 C1=CCN(CC1)Cc2n[nH]c3c2cccc3 270004a_100000698166_100000059708 [0,0,0,0,0,1|2,0,1]=4 282 B18R3.2098 C1=CCN(CC1)Cc2noc3c2cccc3 34a_100000698166_100009813815 [0,0,0,0,0,1|1,1,1]=4 283 B18R3.2098 c1ccc2c(c1)nnn2CN3CCOCC3 2230a_100015191051_100000033166 [0,0,0,0,0,1|3,0,0]=4 284 B18R3.2098 c1ccc2c(c1)nnn2CN3CCOCC3 34a_100015191051_100000033166 [0,0,0,0,0,1|3,0,0]=4 285 B18R3.2098 c1ccc2c(c1)nnn2CN3CCSCC3 2230a_100000737611_100000033166 [0,0,0,0,0,1|3,0,0]=4 286 B18R3.2098 c1ccc2c(coc2c1)CN3CCOCC3 270004a_100015191051_100000688544 [0,0,0,0,0,1|2,1,0]=4 287 B18R3.2098 c1ccc2c(coc2c1)CN3CCSCC3 270004a_100000737611_100000688544 [0,0,0,0,0,1|2,1,0]=4 288 B18R3.2098 c1ccc2c(csc2c1)CN3CCCOC3 2230a_100000131196_200000742921 [0,0,0,0,0,1|3,0,0]=4 289 B18R3.2098 c1ccc2c(csc2c1)CN3CCCOC3 269982a_100000131196_200000742921 [0,0,0,0,0,1|3,0,0]=4 290 B18R3.2098 c1ccc2c(csc2c1)CN3CCCOC3 270004a_100000131196_100000239721 [0,0,0,0,0,1|3,0,0]=4 291 B18R3.2098 c1ccc2c(csc2c1)CN3CCCOC3 34a_100000131196_200000742921 [0,0,0,0,0,1|3,0,0]=4 292 B18R3.2098 c1ccc2c(csc2c1)CN3CCOCC3 2230a_100015191051_200000742921 [0,0,0,0,0,1|2,0,0]=3 293 B18R3.2098 c1ccc2c(csc2c1)CN3CCOCC3 269982a_100015191051_200000742921 [0,0,0,0,0,1|2,0,0]=3 294 B18R3.2098 c1ccc2c(csc2c1)CN3CCOCC3 270004a_100015191051_100000239721 [0,0,0,0,0,1|2,0,0]=3 295 B18R3.2098 c1ccc2c(csc2c1)CN3CCOCC3 34a_100015191051_200000742921 [0,0,0,0,0,1|2,0,0]=3 296 B18R3.2098 c1ccc2c(csc2c1)CN3CCSCC3 2230a_100000737611_200000742921 [0,0,0,0,0,1|2,0,0]=3 297 B18R3.2098 c1ccc2c(csc2c1)CN3CCSCC3 269982a_100000737611_200000742921 [0,0,0,0,0,1|2,0,0]=3 298 B18R3.2098 c1ccc2c(csc2c1)CN3CCSCC3 270004a_100000737611_100000239721 [0,0,0,0,0,1|2,0,0]=3 299 B18R3.2098 c1ccc2c(csc2c1)OC3CCCCC3 34a_100000077758_100000210327 [0,0,0,0,0,1|3,0,0]=4 300 B18R3.2098 c1ccc2c(csc2c1)OC3CCCCC3 7a_100000077758_100000210327 [0,0,0,0,0,1|3,0,0]=4 301 B18R3.2098 c1ccc2c(csc2c1)OC3CCOCC3 7a_100000077758_100000686592 [0,0,0,0,0,1|3,0,0]=4 302 B18R3.2098 c1ccc2c(csc2c1)OC3CCSCC3 34a_100000077758_100000069128 [0,0,0,0,0,1|3,0,0]=4 303 B18R3.2098 c1ccc2c(csc2c1)OC3CCSCC3 7a_100000077758_100011500858 [0,0,0,0,0,1|3,0,0]=4 304 B18R3.2098 c1ccc2c(n[nH]c2c1)CN3CCCOC3 270004a_100000131196_100000059708 [0,0,0,0,0,1|3,0,0]=4 305 B18R3.2098 c1ccc2c(n[nH]c2c1)CN3CCOCC3 270004a_100015191051_100000059708 [0,0,0,0,0,1|2,0,0]=3 306 B18R3.2098 c1ccc2c(n[nH]c2c1)CN3CCSCC3 270004a_100000737611_100000059708 [0,0,0,0,0,1|2,0,0]=3 307 B18R3.2098 c1ccc2c(n[nH]c2c1)SC3CCCCC3 62a_100000210327_100000050141 [0,0,0,0,0,1|3,0,0]=4 308 B18R3.2098 c1ccc2c(noc2c1)CN3CCCOC3 34a_100000131196_100009813815 [0,0,0,0,0,1|2,1,0]=4 309 B18R3.2098 c1ccc2c(noc2c1)CN3CCOCC3 34a_100015191051_100009813815 [0,0,0,0,0,1|1,1,0]=3 310 B18R3.2098 c1ccc2c(noc2c1)SC3CCCCC3 62a_100000210327_200000703156 [0,0,0,0,0,1|2,1,0]=4 311 B18R3.2098 c1ccc2c(noc2c1)SC3CCCCC3 62a_200000703156_100000210327 [0,0,0,0,0,1|2,1,0]=4 312 B18R3.2098 c1ccc2c(noc2c1)SC3CCOCC3 62a_200000703156_100011324220 [0,0,0,0,0,1|2,1,0]=4 313 B18R3.2098 c1ccc2c(noc2c1)SC3CCSCC3 62a_200000703156_100000069128 [0,0,0,0,0,1|2,1,0]=4 314 B18R3.2098 c1ccn2c(ncc2c1)CN3CCOCC3 270004a_100015191051_100000069005 [0,0,0,0,0,1|3,0,0]=4 315 B18R3.2098 c1ccn2c(ncc2c1)CN3CCSCC3 270004a_100000737611_100000069005 [0,0,0,0,0,1|3,0,0]=4 316 B18R3.2098 c1ccn2c(nnc2c1)CN3CCOCC3 2230a_100015191051_100000037651 [0,0,0,0,0,1|3,0,0]=4 317 B18R3.2098 c1ccn2c(nnc2c1)CN3CCSCC3 2230a_100000737611_100000037651 [0,0,0,0,0,1|3,0,0]=4 318 B18R3.2108 C1=C(CCNC1)c2cncc3c2cccc3 271570a_100000731432_100000187577 [0,0,0,0,0,1|2,0,1]=4 319 B18R3.2108 C1=C(CCNC1)c2cnnc3c2cccc3 271570a_100000731432_100000063506 [0,0,0,0,0,1|2,0,1]=4 320 B18R3.2108 C1=C(CCNC1)c2nccc3c2cccc3 271570a_100000731432_100011934041 [0,0,0,0,0,1|2,0,1]=4 321 B18R3.2108 C1=C(CCNC1)c2ncnc3c2cccc3 271570a_100000731432_100000217608 [0,0,0,0,0,1|2,0,1]=4 322 B18R3.2108 C1=CCN(CC1)c2cnnc3c2cccc3 27a_100000698166_100000063506 [0,0,0,0,0,1|2,0,1]=4 323 B18R3.2108 C1=CCN(CC1)c2nccc3c2cccc3 27a_100000698166_100011934041 [0,0,0,0,0,1|2,0,1]=4 324 B18R3.2108 C1=CCN(CC1)c2ncnc3c2cccc3 27a_100000698166_100000217608 [0,0,0,0,0,1|2,0,1]=4 325 B18R3.2108 c1cc2c(ncnc2cn1)N3CCOCC3 27a_100015191051_100000098430 [0,0,0,0,0,1|3,0,0]=4 326 B18R3.2108 c1cc2c(ncnc2cn1)N3CCSCC3 27a_100000737611_100000098430 [0,0,0,0,0,1|3,0,0]=4 327 B18R3.2108 c1cc2ccnc(c2cn1)N3CCOCC3 27a_100015191051_100000116921 [0,0,0,0,0,1|3,0,0]=4 328 B18R3.2108 c1cc2ccnc(c2cn1)N3CCSCC3 27a_100000737611_100000116921 [0,0,0,0,0,1|3,0,0]=4 329 B18R3.2108 c1ccc2c(ccnc2c1)N3CCOCC3 27a_100015191051_100011215880 [0,0,0,0,0,1|3,0,0]=4 330 B18R3.2108 c1ccc2c(ccnc2c1)N3CCSCC3 27a_100000737611_100011215880 [0,0,0,0,0,1|3,0,0]=4 331 B18R3.2108 c1ccc2c(cnnc2c1)N3CCOCC3 27a_100015191051_100000063506 [0,0,0,0,0,1|2,0,0]=3 332 B18R3.2108 c1ccc2c(cnnc2c1)N3CCSCC3 27a_100000737611_100000063506 [0,0,0,0,0,1|2,0,0]=3 333 B18R3.2108 c1ccc2c(nccc2c1)N3CCOCC3 27a_100015191051_100011934041 [0,0,0,0,0,1|2,0,0]=3 334 B18R3.2108 c1ccc2c(nccc2c1)N3CCSCC3 27a_100000737611_100011934041 [0,0,0,0,0,1|2,0,0]=3 335 B18R3.2108 c1ccc2c(ncnc2c1)N3CCOCC3 27a_100015191051_100000217608 [0,0,0,0,0,1|2,0,0]=3 336 B18R3.2108 c1ccc2c(ncnc2c1)N3CCSCC3 27a_100000737611_100000217608 [0,0,0,0,0,1|2,0,0]=3 337 B18R3.2108 c1cnc2c(nccc2c1)N3CCOCC3 27a_100015191051_100010063729 [0,0,0,0,0,1|3,0,0]=4 338 B18R3.2108 c1cnc2c(nccc2c1)N3CCSCC3 27a_100000737611_100010063729 [0,0,0,0,0,1|3,0,0]=4 339 B18R3.2108 c1cnc2c(ncnc2c1)N3CCOCC3 27a_100015191051_100000063688 [0,0,0,0,0,1|3,0,0]=4 340 B18R3.2108 c1cnc2c(ncnc2c1)N3CCSCC3 27a_100000737611_100000063688 [0,0,0,0,0,1|3,0,0]=4 341 B18R3.2108 c1cnc2ccnc(c2c1)N3CCOCC3 27a_100015191051_100000077681 [0,0,0,0,0,1|3,0,0]=4 342 B18R3.2108 c1cnc2ccnc(c2c1)N3CCSCC3 27a_100000737611_100000077681 [0,0,0,0,0,1|3,0,0]=4 343 B18R3.2108 c1cnc2cncc(c2c1)N3CCOCC3 27a_100015191051_100010211308 [0,0,0,0,0,1|3,0,0]=4 344 B18R3.2108 c1cnc2cncc(c2c1)N3CCSCC3 27a_100000737611_100010211308 [0,0,0,0,0,1|3,0,0]=4 345 B18R3.2108 c1cnc2ncnc(c2c1)N3CCOCC3 27a_100015191051_100000026734 [0,0,0,0,0,1|3,0,0]=4 346 B18R3.2108 c1cnc2ncnc(c2c1)N3CCSCC3 27a_100000737611_100000026734 [0,0,0,0,0,1|3,0,0]=4 347 B18R3.2123 C1=C(CCNC1)c2cc3ccccc3cn2 271570a_100000731432_100000047361 [0,0,0,0,0,1|2,0,1]=4 348 B18R3.2123 C1=C(CCNC1)c2ncc3ccccc3n2 271570a_100000731432_100000097389 [0,0,0,0,0,1|2,0,1]=4 349 B18R3.2123 C1=CCN(CC1)c2ncc3ccccc3n2 27a_100000698166_100000097389 [0,0,0,0,0,1|2,0,1]=4 350 B18R3.2123 c1ccc2nc(ccc2c1)N3CCOCC3 27a_100015191051_100011291633 [0,0,0,0,0,1|3,0,0]=4 351 B18R3.2123 c1ccc2nc(ccc2c1)N3CCSCC3 27a_100000737611_100011291633 [0,0,0,0,0,1|3,0,0]=4 352 B18R3.2123 c1ccc2nc(cnc2c1)N3CCOCC3 27a_100015191051_100000756483 [0,0,0,0,0,1|3,0,0]=4 353 B18R3.2123 c1ccc2nc(cnc2c1)N3CCSCC3 27a_100000737611_100000756483 [0,0,0,0,0,1|3,0,0]=4 354 B18R3.2123 c1ccc2nc(ncc2c1)N3CCOCC3 27a_100015191051_100000097389 [0,0,0,0,0,1|2,0,0]=3 355 B18R3.2123 c1ccc2nc(ncc2c1)N3CCSCC3 27a_100000737611_100000097389 [0,0,0,0,0,1|2,0,0]=3 356 B18R3.2123 c1cnc2nc(ncc2c1)N3CCOCC3 27a_100015191051_100009875485 [0,0,0,0,0,1|3,0,0]=4 357 B18R3.2123 c1cnc2nc(ncc2c1)N3CCSCC3 27a_100000737611_100009875485 [0,0,0,0,0,1|3,0,0]=4 358 B15R2.5 CCCCNc1n[nH]c2c1cccn2 27a_100000102301_100009818534 [1,0,1,0,0,0|2,0,0]=4 359 B15R2.5 CCCCNc1n[nH]c2c1cncc2 27a_100000102301_100009820117 [1,0,1,0,0,0|2,0,0]=4 360 B15R2.5 CCCCNc1n[nH]c2c1nccc2 27a_100000102301_100009817118 [1,0,1,0,0,0|2,0,0]=4 361 B15R2.5 CCCCOc1csc2c1cccc2 34a_100000077758_100000210210 [1,0,1,0,0,0|2,0,0]=4 362 B15R2.5 CCCCOc1csc2c1cccc2 7a_100000077758_100000210211 [1,0,1,0,0,0|2,0,0]=4 363 B15R2.5 CCCCSc1csc2c1cccc2 62a_100000210211_100009813928 [1,0,1,0,0,0|2,0,0]=4 364 B15R2.5 CCCCSc1n[nH]c2c1cccc2 62a_100000210211_100000050141 [1,0,1,0,0,0|2,0,0]=4 365 B15R2.5 CCCCSc1noc2c1cccc2 62a_100000210211_200000703156 [1,0,1,0,0,0|1,1,0]=4 366 B15R2.5 CCCCSc1noc2c1cccc2 62a_200000703156_100000210210 [1,0,1,0,0,0|1,1,0]=4 367 B15R2.5 CCNCCc1c[nH]c2c1cccc2 2230a_100000211132_100000210202 [1,0,1,0,0,0|2,0,0]=4 368 B15R2.5 CCNCCc1c[nH]c2c1cccc2 2230a_100015525214_100011218569 [1,0,1,0,0,0|2,0,0]=4 369 B15R2.5 CCNCCc1coc2c1cccc2 2230a_100011934666_100000210202 [1,0,1,0,0,0|1,1,0]=4 370 B15R2.5 CCNCCc1coc2c1cccc2 34a_100011934666_100000210202 [1,0,1,0,0,0|1,1,0]=4 371 B15R2.73 CCCN(C)c1n[nH]c2c1cccn2 27a_100000747261_100009818534 [1,0,1,0,0,0|2,0,0]=4 372 B15R2.73 CCCN(C)c1n[nH]c2c1cncc2 27a_100000747261_100009820117 [1,0,1,0,0,0|2,0,0]=4 373 B15R2.73 CCCN(C)c1n[nH]c2c1nccc2 27a_100000747261_100009817118 [1,0,1,0,0,0|2,0,0]=4 374 B15R2.38 Oc1ccccc1CN2CCNCC2 271570a_203496583355_100015186962 [1,0,1,0,0,0|0,1,1]=4 375 B15R2.74 CCN(CC)c1n[nH]c2c1cccn2 27a_100000724800_100009818534 [1,0,1,0,0,0|2,0,0]=4 376 B15R2.74 CCN(CC)c1n[nH]c2c1cncc2 27a_100000724800_100009820117 [1,0,1,0,0,0|2,0,0]=4 377 B15R2.74 CCN(CC)c1n[nH]c2c1nccc2 27a_100000724800_100009817118 [1,0,1,0,0,0|2,0,0]=4 378 B15R2.2226 O=C(c1ccccc1)N2CCOCC2 11a_100015191051_100000185807 [1,0,1,0,0,0|1,1,0]=4 379 B15R2.2226 O=C(c1ccccc1)N2CCOCC2 1626a_100015191051_100000185807 [1,0,1,0,0,0|1,1,0]=4 380 B15R2.2226 O=C(c1ccccc1)N2CCOCC2 240690a_100015191051_100000185807 [1,0,1,0,0,0|1,1,0]=4 381 B15R2.2226 O=C(c1ccccc1)N2CCOCC2 527a_100015191051_100000185807 [1,0,1,0,0,0|1,1,0]=4 382 B15R2.2226 O=C(c1ccccc1)N2CCSCC2 11a_100000737611_100000185807 [1,0,1,0,0,0|1,1,0]=4 383 B15R2.2226 O=C(c1ccccc1)N2CCSCC2 240690a_100000737611_100000185807 [1,0,1,0,0,0|1,1,0]=4 384 B15R2.2226 O=C(c1ccccc1)N2CCSCC2 527a_100000737611_100000185807 [1,0,1,0,0,0|1,1,0]=4 385 B17R2.3 CCCCCNCc1csc2c1cccc2 207a_100000209983_100000239721 [0,1,1,0,0,0|2,0,0]=4 386 B17R2.3 CCCCCNCc1csc2c1cccc2 2230a_100000209983_200000742921 [0,1,1,0,0,0|2,0,0]=4 387 B17R2.3 CCCCCNCc1csc2c1cccc2 270004a_100000209983_100000239721 [0,1,1,0,0,0|2,0,0]=4 388 B17R2.3 CCCCCNCc1csc2c1cccc2 34a_100000744611_100000718602 [0,1,1,0,0,0|2,0,0]=4 389 B17R2.3 CCCCCNCc1n[nH]c2c1cccc2 207a_100000209983_100000059708 [0,1,1,0,0,0|2,0,0]=4 390 B17R2.3 CCCCCNCc1n[nH]c2c1cccc2 270004a_100000209983_100000059708 [0,1,1,0,0,0|2,0,0]=4 391 B17R2.3 CCCCCNN=C1CSc2c1cccc2 4a_100000694160_100000062685 [0,1,1,0,0,0|2,0,0]=4 392 B17R2.3 CCOCCNCc1csc2c1cccc2 207a_100011200944_100000239721 [0,1,1,0,0,0|2,0,0]=4 393 B17R2.3 CCOCCNCc1csc2c1cccc2 2230a_102516460346_200000742921 [0,1,1,0,0,0|2,0,0]=4 394 B17R2.3 CCOCCNCc1csc2c1cccc2 270004a_102516460346_100000239721 [0,1,1,0,0,0|2,0,0]=4 395 B17R2.3 CCOCCNCc1csc2c1cccc2 34a_100000744611_100000210147 [0,1,1,0,0,0|2,0,0]=4 396 B17R2.3 CCOCCNCc1csc2c1cccc2 34a_102516460346_200000742921 [0,1,1,0,0,0|2,0,0]=4 397 B17R2.3 CCOCCNCc1n[nH]c2c1cccc2 207a_100011200944_100000059708 [0,1,1,0,0,0|2,0,0]=4 398 B17R2.3 CCOCCNCc1n[nH]c2c1cccc2 270004a_102516460346_100000059708 [0,1,1,0,0,0|2,0,0]=4 399 B17R2.3 CCOCCNCc1noc2c1cccc2 34a_102516460346_100009813815 [0,1,1,0,0,0|1,1,0]=4 400 B17R2.3 CCOCCNN=C1CSc2c1cccc2 4a_100000732670_100000062685 [0,1,1,0,0,0|2,0,0]=4 401 B17R2.3 CCSCCNCc1csc2c1cccc2 207a_100000106463_100000239721 [0,1,1,0,0,0|2,0,0]=4 402 B17R2.3 CCSCCNCc1csc2c1cccc2 2230a_100000106463_200000742921 [0,1,1,0,0,0|2,0,0]=4 403 B17R2.3 CCSCCNCc1csc2c1cccc2 270004a_100000106463_100000239721 [0,1,1,0,0,0|2,0,0]=4 404 B17R2.3 CCSCCNCc1csc2c1cccc2 34a_100000744611_100000757381 [0,1,1,0,0,0|2,0,0]=4 405 B17R2.3 CCSCCNCc1n[nH]c2c1cccc2 207a_100000106463_100000059708 [0,1,1,0,0,0|2,0,0]=4 406 B17R2.3 CCSCCNCc1n[nH]c2c1cccc2 270004a_100000106463_100000059708 [0,1,1,0,0,0|2,0,0]=4 407 B17R2.877 CN(C)CCN(C)c1n[nH]c2c1cccn2 27a_100000225618_100009818534 [0,1,1,0,0,0|2,0,0]=4 408 B17R2.877 CN(C)CCN(C)c1n[nH]c2c1cncc2 27a_100000225618_100009820117 [0,1,1,0,0,0|2,0,0]=4 409 B17R2.877 CN(C)CCN(C)c1n[nH]c2c1nccc2 27a_100000225618_100009817118 [0,1,1,0,0,0|2,0,0]=4 410 B17R2.87 CCSc1ccccc1CN2CCNCC2 62a_100000210202_100015186962 [0,1,1,0,0,0|1,0,1]=4 411 B17R2.87 CCSc1ccccc1CN2CCNCC2 62a_100015186962_100000210202 [0,1,1,0,0,0|1,0,1]=4 412 B17R2.87 FCSc1ccccc1CN2CCNCC2 62a_100015186962_100015361967 [0,1,1,0,0,0|1,0,1]=4 413 B17R2.87 FCSc1ccccc1CN2CCNCC2 62a_100015361967_100015186962 [0,1,1,0,0,0|1,0,1]=4 414 B17R2.925 CSc1cc(ccc1CN2CCNCC2)F 62a_200000210301_200011207892 [0,1,1,0,0,0|1,0,1]=4 415 B17R2.925 CSc1cc(ccc1CN2CCNCC2)F 62a_200011207892_200000210301 [0,1,1,0,0,0|1,0,1]=4 416 B17R2.925 [13CH3]Sc1cc(ccc1CN2CCNCC2)F 62a_200011207892_200025704644 [0,1,1,0,0,0|1,0,1]=4 417 B17R2.925 [13CH3]Sc1cc(ccc1CN2CCNCC2)F 62a_200025704644_200011207892 [0,1,1,0,0,0|1,0,1]=4 418 B17R2.1066 CSc1ccccc1C(=O)N2CCCCC2 62a_200000152729_200000210301 [0,1,1,0,0,0|2,0,0]=4 419 B17R2.1066 CSc1ccccc1C(=O)N2CCCCC2 62a_200000210301_200000152729 [0,1,1,0,0,0|2,0,0]=4 420 B17R2.1066 CSc1ccccc1C(=O)N2CCOCC2 11a_100015191051_100000183967 [0,1,1,0,0,0|2,0,0]=4 421 B17R2.1066 CSc1ccccc1C(=O)N2CCOCC2 1626a_100015191051_100000183967 [0,1,1,0,0,0|2,0,0]=4 422 B17R2.1066 CSc1ccccc1C(=O)N2CCOCC2 240690a_100015191051_100000183967 [0,1,1,0,0,0|2,0,0]=4 423 B17R2.1066 CSc1ccccc1C(=O)N2CCOCC2 527a_100015191051_100000183967 [0,1,1,0,0,0|2,0,0]=4 424 B17R2.1066 CSc1ccccc1C(=O)N2CCOCC2 62a_200000154153_200000210301 [0,1,1,0,0,0|2,0,0]=4 425 B17R2.1066 CSc1ccccc1C(=O)N2CCOCC2 62a_200000210301_200000154153 [0,1,1,0,0,0|2,0,0]=4 426 B17R2.1066 CSc1ccccc1C(=O)N2CCSCC2 11a_100000737611_100000183967 [0,1,1,0,0,0|2,0,0]=4 427 B17R2.1066 CSc1ccccc1C(=O)N2CCSCC2 240690a_100000737611_100000183967 [0,1,1,0,0,0|2,0,0]=4 428 B17R2.1066 CSc1ccccc1C(=O)N2CCSCC2 527a_100000737611_100000183967 [0,1,1,0,0,0|2,0,0]=4 429 B17R2.1066 [13CH3]Sc1ccccc1C(=O)N2CCCCC2 62a_200000152729_200025704644 [0,1,1,0,0,0|2,0,0]=4 430 B17R2.1066 [13CH3]Sc1ccccc1C(=O)N2CCCCC2 62a_200025704644_200000152729 [0,1,1,0,0,0|2,0,0]=4 431 B17R2.1066 [13CH3]Sc1ccccc1C(=O)N2CCOCC2 62a_200000154153_200025704644 [0,1,1,0,0,0|2,0,0]=4 432 B17R2.1066 [13CH3]Sc1ccccc1C(=O)N2CCOCC2 62a_200025704644_200000154153 [0,1,1,0,0,0|2,0,0]=4 433 B17R2.2357 CSc1ccccc1CN2CCN(CC2)C 2230a_100000188432_100000699184 [0,1,1,0,0,0|1,0,1]=4 434 B17R2.2357 CSc1ccccc1CN2CCN(CC2)C 269982a_100000188432_100000699184 [0,1,1,0,0,0|1,0,1]=4 435 B17R2.2357 CSc1ccccc1CN2CCN(CC2)C 270004a_100000188432_100011217347 [0,1,1,0,0,0|1,0,1]=4 436 B17R2.216 CN1CCN(CC1)CCSc2ccccc2 2230a_100000188432_100000246102 [0,1,1,0,0,0|1,0,1]=4 437 B17R2.216 CN1CCN(CC1)CCSc2ccccc2 2230a_200000740063_200000210301 [0,1,1,0,0,0|1,0,1]=4 438 B17R2.216 CN1CCN(CC1)CCSc2ccccc2 269982a_100000188432_100000246102 [0,1,1,0,0,0|1,0,1]=4 439 B17R2.216 CN1CCN(CC1)CCSc2ccccc2 269982a_200000740063_200000210301 [0,1,1,0,0,0|1,0,1]=4 440 B17R2.216 CN1CCN(CC1)CCSc2ccccc2 62a_100000719477_100000694902 [0,1,1,0,0,0|1,0,1]=4 441 B17R2.216 [13CH3]N1CCN(CC1)CCSc2ccccc2 2230a_200000740063_200025704644 [0,1,1,0,0,0|1,0,1]=4 442 B17R2.216 [13CH3]N1CCN(CC1)CCSc2ccccc2 269982a_200000740063_200025704644 [0,1,1,0,0,0|1,0,1]=4 443 B17R2.2342 O=C(CSc1ccccc1)N2CCCCC2 62a_100000183409_100000041952 [0,1,1,0,0,0|2,0,0]=4 444 B17R2.2342 O=C(CSc1ccccc1)N2CCCCC2 62a_100000719477_100000183409 [0,1,1,0,0,0|2,0,0]=4 445 B17R2.2342 O=C(CSc1ccccc1)N2CCOCC2 11a_100015191051_100000211596 [0,1,1,0,0,0|2,0,0]=4 446 B17R2.2342 O=C(CSc1ccccc1)N2CCOCC2 1626a_100015191051_100000211596 [0,1,1,0,0,0|2,0,0]=4 447 B17R2.2342 O=C(CSc1ccccc1)N2CCOCC2 240690a_100015191051_100000211596 [0,1,1,0,0,0|2,0,0]=4 448 B17R2.2342 O=C(CSc1ccccc1)N2CCOCC2 527a_100015191051_100000211596 [0,1,1,0,0,0|2,0,0]=4 449 B17R2.2342 O=C(CSc1ccccc1)N2CCOCC2 62a_100000183410_100000041952 [0,1,1,0,0,0|2,0,0]=4 450 B17R2.2342 O=C(CSc1ccccc1)N2CCOCC2 62a_100000719477_100000183410 [0,1,1,0,0,0|2,0,0]=4 451 B17R2.2342 O=C(CSc1ccccc1)N2CCSCC2 11a_100000737611_100000211596 [0,1,1,0,0,0|2,0,0]=4 452 B17R2.2342 O=C(CSc1ccccc1)N2CCSCC2 240690a_100000737611_100000211596 [0,1,1,0,0,0|2,0,0]=4 453 B17R2.2342 O=C(CSc1ccccc1)N2CCSCC2 527a_100000737611_100000211596 [0,1,1,0,0,0|2,0,0]=4 454 B17R2.381 CN1CCN(CC1)C(=O)c2ccccc2Br 11a_100000188432_100000188424 [0,1,1,0,0,0|2,0,0]=4 455 B17R2.381 CN1CCN(CC1)C(=O)c2ccccc2Br 240690a_100000188432_100000188424 [0,1,1,0,0,0|2,0,0]=4 456 B17R2.381 CN1CCN(CC1)C(=O)c2ccccc2Br 527a_100000188432_100000188424 [0,1,1,0,0,0|2,0,0]=4 457 B17R2.381 CN1CCN(CC1)C(=O)c2ccccc2Cl 11a_100000188432_100000185844 [0,1,1,0,0,0|2,0,0]=4 458 B17R2.381 CN1CCN(CC1)C(=O)c2ccccc2Cl 2230a_100000691815_200000210301 [0,1,1,0,0,0|2,0,0]=4 459 B17R2.381 CN1CCN(CC1)C(=O)c2ccccc2Cl 240690a_100000188432_100000185844 [0,1,1,0,0,0|2,0,0]=4 460 B17R2.381 CN1CCN(CC1)C(=O)c2ccccc2Cl 269982a_100000691815_200000210301 [0,1,1,0,0,0|2,0,0]=4 461 B17R2.381 CN1CCN(CC1)C(=O)c2ccccc2Cl 527a_100000188432_100000185844 [0,1,1,0,0,0|2,0,0]=4 462 B17R2.381 CN1CCN(CC1)C(=O)c2ccccc2F 11a_100000188432_100000188656 [0,1,1,0,0,0|2,0,0]=4 463 B17R2.381 CN1CCN(CC1)C(=O)c2ccccc2F 240690a_100000188432_100000188656 [0,1,1,0,0,0|2,0,0]=4 464 B17R2.381 CN1CCN(CC1)C(=O)c2ccccc2F 527a_100000188432_100000188656 [0,1,1,0,0,0|2,0,0]=4 465 B17R2.381 CN1CCN(CC1)C(=O)c2ccccc2I 11a_100000188432_100000187884 [0,1,1,0,0,0|2,0,0]=4 466 B17R2.381 CN1CCN(CC1)C(=O)c2ccccc2I 240690a_100000188432_100000187884 [0,1,1,0,0,0|2,0,0]=4 467 B17R2.381 CN1CCN(CC1)C(=O)c2ccccc2I 527a_100000188432_100000187884 [0,1,1,0,0,0|2,0,0]=4 468 B17R2.381 CN1CCN(CC1)C(=O)c2ccccc2O 240690a_100000188432_100015234032 [0,1,1,0,0,0|1,1,0]=4 469 B17R2.381 CN1CCN(CC1)C(=O)c2ccccc2O 271570a_203496583355_200000152779 [0,1,1,0,0,0|1,1,0]=4 470 B17R2.381 CN1CCN(CC1)C(=O)c2ccccc2[O-] 240690a_100000188432_100009911694 [0,1,1,0,0,0|1,1,0]=4 471 B17R2.381 CN1CCN(CC1)C(=O)c2ccccc2[O-] 527a_100000188432_100009911694 [0,1,1,0,0,0|1,1,0]=4 472 B17R2.381 Cc1ccccc1C(=O)N2CCN(CC2)C 11a_100000188432_100000212026 [0,1,1,0,0,0|2,0,0]=4 473 B17R2.381 Cc1ccccc1C(=O)N2CCN(CC2)C 2230a_102515422475_200000210301 [0,1,1,0,0,0|2,0,0]=4 474 B17R2.381 Cc1ccccc1C(=O)N2CCN(CC2)C 240690a_100000188432_100000212026 [0,1,1,0,0,0|2,0,0]=4 475 B17R2.381 Cc1ccccc1C(=O)N2CCN(CC2)C 269982a_102515422475_200000210301 [0,1,1,0,0,0|2,0,0]=4 476 B17R2.381 Cc1ccccc1C(=O)N2CCN(CC2)C 527a_100000188432_100000212026 [0,1,1,0,0,0|2,0,0]=4 477 B17R2.381 Cc1ccccc1C(=O)N2CCN(CC2)[13CH3] 2230a_102515422475_200025704644 [0,1,1,0,0,0|2,0,0]=4 478 B17R2.381 Cc1ccccc1C(=O)N2CCN(CC2)[13CH3] 269982a_102515422475_200025704644 [0,1,1,0,0,0|2,0,0]=4 479 B17R2.381 [13CH3]N1CCN(CC1)C(=O)c2ccccc2Cl 2230a_100000691815_200025704644 [0,1,1,0,0,0|2,0,0]=4 480 B17R2.381 [13CH3]N1CCN(CC1)C(=O)c2ccccc2Cl 269982a_100000691815_200025704644 [0,1,1,0,0,0|2,0,0]=4 481 B17R3.26 C[C@@H]1CCN(C1)c2n[nH]c3c2cccn3 27a_100016987628_100009818534 [0,1,0,0,1,0|2,0,0]=4 482 B17R3.26 C[C@@H]1CCN(C1)c2n[nH]c3c2cncc3 27a_100016987628_100009820117 [0,1,0,0,1,0|2,0,0]=4 483 B17R3.26 C[C@@H]1CCN(C1)c2n[nH]c3c2nccc3 27a_100016987628_100009817118 [0,1,0,0,1,0|2,0,0]=4 484 B17R3.26 F[C@H]1CCN(C1)c2n[nH]c3c2cccn3 27a_100015203821_100009818534 [0,1,0,0,1,0|2,0,0]=4 485 B17R3.26 F[C@H]1CCN(C1)c2n[nH]c3c2cncc3 27a_100015203821_100009820117 [0,1,0,0,1,0|2,0,0]=4 486 B17R3.26 F[C@H]1CCN(C1)c2n[nH]c3c2nccc3 27a_100015203821_100009817118 [0,1,0,0,1,0|2,0,0]=4 487 B17R3.26 OC1CCN(C1)c2n[nH]c3c2cccn3 27a_100011215560_100009818534 [0,1,0,0,1,0|2,0,0]=4 488 B17R3.26 OC1CCN(C1)c2n[nH]c3c2cncc3 27a_100011215560_100009820117 [0,1,0,0,1,0|2,0,0]=4 489 B17R3.26 OC1CCN(C1)c2n[nH]c3c2nccc3 27a_100011215560_100009817118 [0,1,0,0,1,0|2,0,0]=4 490 B17R3.29 Brc1cnc2c(n[nH]c2c1)N3CCCC3 27a_100000188435_100010289622 [0,1,0,0,1,0|2,0,0]=4 491 B17R3.65 C[C@@H]1CCCN1c2n[nH]c3c2cccn3 27a_100015189458_100009818534 [0,1,0,0,1,0|2,0,0]=4 492 B17R3.65 C[C@@H]1CCCN1c2n[nH]c3c2cncc3 27a_100015189458_100009820117 [0,1,0,0,1,0|2,0,0]=4 493 B17R3.65 C[C@@H]1CCCN1c2n[nH]c3c2nccc3 27a_100015189458_100009817118 [0,1,0,0,1,0|2,0,0]=4 494 B17R3.65 C[C@H]1CCCN1c2n[nH]c3c2cccn3 27a_100020605311_100009818534 [0,1,0,0,1,0|2,0,0]=4 495 B17R3.65 C[C@H]1CCCN1c2n[nH]c3c2cncc3 27a_100020605311_100009820117 [0,1,0,0,1,0|2,0,0]=4 496 B17R3.65 C[C@H]1CCCN1c2n[nH]c3c2nccc3 27a_100020605311_100009817118 [0,1,0,0,1,0|2,0,0]=4 497 B17R3.7829 Cn1nc(c2c1nccc2)N3CCCC3 27a_100000188435_100010248644 [0,1,0,0,1,0|2,0,0]=4 498 B17R3.2405 CN1CCN(CC1)C2Cc3c2cccc3 269982a_100000188432_100009813401 [0,1,0,0,1,0|1,0,1]=4 499 B19R3.5438 CN1CCCN(CC1)c2n[nH]c3c2cccn3 27a_100000211313_100009818534 [0,1,0,0,0,1|2,0,0]=4 500 B19R3.5438 CN1CCCN(CC1)c2n[nH]c3c2cncc3 27a_100000211313_100009820117 [0,1,0,0,0,1|2,0,0]=4 501 B19R3.5438 CN1CCCN(CC1)c2n[nH]c3c2nccc3 27a_100000211313_100009817118 [0,1,0,0,0,1|2,0,0]=4 502 B19R3.5438 O=C1CCN(CCN1)c2n[nH]c3c2cccn3 27a_100000698595_100009818534 [0,1,0,0,0,1|2,0,0]=4 503 B19R3.5438 O=C1CCN(CCN1)c2n[nH]c3c2cncc3 27a_100000698595_100009820117 [0,1,0,0,0,1|2,0,0]=4 504 B19R3.5438 O=C1CCN(CCN1)c2n[nH]c3c2nccc3 27a_100000698595_100009817118 [0,1,0,0,0,1|2,0,0]=4 505 B19R3.99 Brc1ccc2c(n[nH]c2c1)CN3CCOCC3 270004a_100015191051_100009817233 [0,1,0,0,0,1|2,0,0]=4 506 B19R3.99 Brc1ccc2c(n[nH]c2c1)CN3CCSCC3 270004a_100000737611_100009817233 [0,1,0,0,0,1|2,0,0]=4 507 B19R3.99 Clc1ccc2c(n[nH]c2c1)CN3CCOCC3 270004a_100015191051_100000086628 [0,1,0,0,0,1|2,0,0]=4 508 B19R3.99 Clc1ccc2c(n[nH]c2c1)CN3CCSCC3 270004a_100000737611_100000086628 [0,1,0,0,0,1|2,0,0]=4 509 B19R3.99 Fc1ccc2c(n[nH]c2c1)CN3CCOCC3 270004a_100015191051_100000086633 [0,1,0,0,0,1|2,0,0]=4 510 B19R3.99 Fc1ccc2c(n[nH]c2c1)CN3CCSCC3 270004a_100000737611_100000086633 [0,1,0,0,0,1|2,0,0]=4 511 B19R3.288 Cc1sc2ccccc2c1CN3CCOCC3 270004a_100015191051_100000066825 [0,1,0,0,0,1|2,0,0]=4 512 B19R3.288 Cc1sc2ccccc2c1CN3CCSCC3 270004a_100000737611_100000066825 [0,1,0,0,0,1|2,0,0]=4 513 B19R3.307 CC1CCCCN1Cc2csc3c2cccc3 2230a_100000211376_200000742921 [0,1,0,0,0,1|2,0,0]=4 514 B19R3.307 CC1CCCCN1Cc2csc3c2cccc3 269982a_100000211376_200000742921 [0,1,0,0,0,1|2,0,0]=4 515 B19R3.307 CC1CCCCN1Cc2csc3c2cccc3 270004a_100000211376_100000239721 [0,1,0,0,0,1|2,0,0]=4 516 B19R3.307 CC1CCCCN1Cc2csc3c2cccc3 34a_100000211376_200000742921 [0,1,0,0,0,1|2,0,0]=4 517 B19R3.307 CC1CCCCN1Cc2n[nH]c3c2cccc3 270004a_100000211376_100000059708 [0,1,0,0,0,1|2,0,0]=4 518 B19R3.307 CC1CCCCN1Cc2noc3c2cccc3 34a_100000211376_100009813815 [0,1,0,0,0,1|1,1,0]=4 519 B19R3.307 C[C@H]1COCCN1Cc2csc3c2cccc3 2230a_100009815349_200000742921 [0,1,0,0,0,1|2,0,0]=4 520 B19R3.307 C[C@H]1COCCN1Cc2csc3c2cccc3 269982a_100009815349_200000742921 [0,1,0,0,0,1|2,0,0]=4 521 B19R3.307 C[C@H]1COCCN1Cc2csc3c2cccc3 270004a_100009815349_100000239721 [0,1,0,0,0,1|2,0,0]=4 522 B19R3.307 C[C@H]1COCCN1Cc2csc3c2cccc3 34a_100009815349_200000742921 [0,1,0,0,0,1|2,0,0]=4 523 B19R3.307 C[C@H]1COCCN1Cc2n[nH]c3c2cccc3 270004a_100009815349_100000059708 [0,1,0,0,0,1|2,0,0]=4 524 B19R3.307 C[C@H]1COCCN1Cc2noc3c2cccc3 34a_100009815349_100009813815 [0,1,0,0,0,1|1,1,0]=4 525 B19R3.434 C=C1CCN(CC1)Cc2csc3c2cccc3 2230a_100000752442_200000742921 [0,1,0,0,0,1|2,0,0]=4 526 B19R3.434 C=C1CCN(CC1)Cc2csc3c2cccc3 269982a_100000752442_200000742921 [0,1,0,0,0,1|2,0,0]=4 527 B19R3.434 C=C1CCN(CC1)Cc2csc3c2cccc3 270004a_100000752442_100000239721 [0,1,0,0,0,1|2,0,0]=4 528 B19R3.434 C=C1CCN(CC1)Cc2csc3c2cccc3 34a_100000752442_200000742921 [0,1,0,0,0,1|2,0,0]=4 529 B19R3.434 C=C1CCN(CC1)Cc2n[nH]c3c2cccc3 270004a_100000752442_100000059708 [0,1,0,0,0,1|2,0,0]=4 530 B19R3.434 C=C1CCN(CC1)Cc2noc3c2cccc3 34a_100000752442_100009813815 [0,1,0,0,0,1|1,1,0]=4 531 B19R3.434 CC1CCN(CC1)Cc2csc3c2cccc3 2230a_100000188429_200000742921 [0,1,0,0,0,1|2,0,0]=4 532 B19R3.434 CC1CCN(CC1)Cc2csc3c2cccc3 269982a_100000188429_200000742921 [0,1,0,0,0,1|2,0,0]=4 533 B19R3.434 CC1CCN(CC1)Cc2csc3c2cccc3 270004a_100000188429_100000239721 [0,1,0,0,0,1|2,0,0]=4 534 B19R3.434 CC1CCN(CC1)Cc2csc3c2cccc3 34a_100000188429_200000742921 [0,1,0,0,0,1|2,0,0]=4 535 B19R3.434 CC1CCN(CC1)Cc2n[nH]c3c2cccc3 270004a_100000188429_100000059708 [0,1,0,0,0,1|2,0,0]=4 536 B19R3.434 CC1CCN(CC1)Cc2noc3c2cccc3 34a_100000188429_100009813815 [0,1,0,0,0,1|1,1,0]=4 537 B19R3.434 CN1CCC(CC1)Sc2noc3c2cccc3 62a_200000703156_100011215917 [0,1,0,0,0,1|1,1,0]=4 538 B19R3.434 CN1CCN(CC1)Cc2coc3c2cccc3 270004a_100000188432_100000688544 [0,1,0,0,0,1|1,1,0]=4 539 B19R3.434 CN1CCN(CC1)Cc2csc3c2cccc3 2230a_100000188432_200000742921 [0,1,0,0,0,1|1,0,0]=3 540 B19R3.434 CN1CCN(CC1)Cc2csc3c2cccc3 269982a_100000188432_200000742921 [0,1,0,0,0,1|1,0,0]=3 541 B19R3.434 CN1CCN(CC1)Cc2csc3c2cccc3 270004a_100000188432_100000239721 [0,1,0,0,0,1|1,0,0]=3 542 B19R3.434 CN1CCN(CC1)Cc2n[nH]c3c2cccc3 270004a_100000188432_100000059708 [0,1,0,0,0,1|1,0,0]=3 543 B19R3.434 CN1CCN(CC1)Cc2ncc3n2cccc3 270004a_100000188432_100000069005 [0,1,0,0,0,1|2,0,0]=4 544 B19R3.434 CN1CCN(CC1)Cc2nnc3n2cccc3 2230a_100000188432_100000037651 [0,1,0,0,0,1|2,0,0]=4 545 B19R3.434 CN1CCN(CC1)Cn2nnc3c2cccc3 2230a_100000188432_100000033166 [0,1,0,0,0,1|2,0,0]=4 546 B19R3.434 FC1CCN(CC1)Cc2csc3c2cccc3 2230a_100015193889_200000742921 [0,1,0,0,0,1|2,0,0]=4 547 B19R3.434 FC1CCN(CC1)Cc2csc3c2cccc3 269982a_100015193889_200000742921 [0,1,0,0,0,1|2,0,0]=4 548 B19R3.434 FC1CCN(CC1)Cc2csc3c2cccc3 270004a_100015193889_100000239721 [0,1,0,0,0,1|2,0,0]=4 549 B19R3.434 FC1CCN(CC1)Cc2csc3c2cccc3 34a_100015193889_200000742921 [0,1,0,0,0,1|2,0,0]=4 550 B19R3.434 FC1CCN(CC1)Cc2n[nH]c3c2cccc3 270004a_100015193889_100000059708 [0,1,0,0,0,1|2,0,0]=4 551 B19R3.434 FC1CCN(CC1)Cc2noc3c2cccc3 34a_100015193889_100009813815 [0,1,0,0,0,1|1,1,0]=4 552 B19R3.434 O=S1CCN(CC1)Cc2csc3c2cccc3 2230a_100000752083_200000742921 [0,1,0,0,0,1|2,0,0]=4 553 B19R3.434 O=S1CCN(CC1)Cc2csc3c2cccc3 269982a_100000752083_200000742921 [0,1,0,0,0,1|2,0,0]=4 554 B19R3.434 O=S1CCN(CC1)Cc2csc3c2cccc3 270004a_100000752083_100000239721 [0,1,0,0,0,1|2,0,0]=4 555 B19R3.434 O=S1CCN(CC1)Cc2n[nH]c3c2cccc3 270004a_100000752083_100000059708 [0,1,0,0,0,1|2,0,0]=4 556 B19R3.434 OC1CCN(CC1)Cc2csc3c2cccc3 2230a_100025773856_200000742921 [0,1,0,0,0,1|2,0,0]=4 557 B19R3.434 OC1CCN(CC1)Cc2csc3c2cccc3 269982a_100025773856_200000742921 [0,1,0,0,0,1|2,0,0]=4 558 B19R3.434 OC1CCN(CC1)Cc2csc3c2cccc3 270004a_100025773856_100000239721 [0,1,0,0,0,1|2,0,0]=4 559 B19R3.434 OC1CCN(CC1)Cc2n[nH]c3c2cccc3 270004a_100025773856_100000059708 [0,1,0,0,0,1|2,0,0]=4 560 B19R3.5866 Brc1ccc2[nH]nc(c2c1)CN3CCOCC3 270004a_100015191051_100009888965 [0,1,0,0,0,1|2,0,0]=4 561 B19R3.5866 Brc1ccc2[nH]nc(c2c1)CN3CCSCC3 270004a_100000737611_100009888965 [0,1,0,0,0,1|2,0,0]=4 562 B19R3.5866 Brc1ccc2scc(c2c1)CN3CCOCC3 270004a_100015191051_100009814807 [0,1,0,0,0,1|2,0,0]=4 563 B19R3.5866 Brc1ccc2scc(c2c1)CN3CCSCC3 270004a_100000737611_100009814807 [0,1,0,0,0,1|2,0,0]=4 564 B19R3.5866 Cc1ccc2[nH]nc(c2c1)CN3CCOCC3 270004a_100015191051_100000050950 [0,1,0,0,0,1|2,0,0]=4 565 B19R3.5866 Cc1ccc2[nH]nc(c2c1)CN3CCSCC3 270004a_100000737611_100000050950 [0,1,0,0,0,1|2,0,0]=4 566 B19R3.5866 Clc1ccc2[nH]nc(c2c1)CN3CCOCC3 270004a_100015191051_100000086617 [0,1,0,0,0,1|2,0,0]=4 567 B19R3.5866 Clc1ccc2[nH]nc(c2c1)CN3CCSCC3 270004a_100000737611_100000086617 [0,1,0,0,0,1|2,0,0]=4 568 B19R3.5866 Clc1ccc2scc(c2c1)CN3CCOCC3 2230a_100015191051_100009814428 [0,1,0,0,0,1|2,0,0]=4 569 B19R3.5866 Clc1ccc2scc(c2c1)CN3CCOCC3 269982a_100015191051_100009814428 [0,1,0,0,0,1|2,0,0]=4 570 B19R3.5866 Clc1ccc2scc(c2c1)CN3CCOCC3 270004a_100015191051_100000040578 [0,1,0,0,0,1|2,0,0]=4 571 B19R3.5866 Clc1ccc2scc(c2c1)CN3CCOCC3 34a_100015191051_100009814428 [0,1,0,0,0,1|2,0,0]=4 572 B19R3.5866 Clc1ccc2scc(c2c1)CN3CCSCC3 2230a_100000737611_100009814428 [0,1,0,0,0,1|2,0,0]=4 573 B19R3.5866 Clc1ccc2scc(c2c1)CN3CCSCC3 269982a_100000737611_100009814428 [0,1,0,0,0,1|2,0,0]=4 574 B19R3.5866 Clc1ccc2scc(c2c1)CN3CCSCC3 270004a_100000737611_100000040578 [0,1,0,0,0,1|2,0,0]=4 575 B19R3.5866 Fc1ccc2[nH]nc(c2c1)CN3CCOCC3 270004a_100015191051_100000084349 [0,1,0,0,0,1|2,0,0]=4 576 B19R3.5866 Fc1ccc2[nH]nc(c2c1)CN3CCSCC3 270004a_100000737611_100000084349 [0,1,0,0,0,1|2,0,0]=4 577 B19R3.5866 Fc1ccc2scc(c2c1)CN3CCOCC3 2230a_100015191051_100010109839 [0,1,0,0,0,1|2,0,0]=4 578 B19R3.5866 Fc1ccc2scc(c2c1)CN3CCOCC3 269982a_100015191051_100010109839 [0,1,0,0,0,1|2,0,0]=4 579 B19R3.5866 Fc1ccc2scc(c2c1)CN3CCOCC3 34a_100015191051_100010109839 [0,1,0,0,0,1|2,0,0]=4 580 B19R3.5866 Fc1ccc2scc(c2c1)CN3CCSCC3 2230a_100000737611_100010109839 [0,1,0,0,0,1|2,0,0]=4 581 B19R3.5866 Fc1ccc2scc(c2c1)CN3CCSCC3 269982a_100000737611_100010109839 [0,1,0,0,0,1|2,0,0]=4 582 B19R3.8184 Brc1cccc2c1[nH]nc2CN3CCOCC3 270004a_100015191051_100009814788 [0,1,0,0,0,1|2,0,0]=4 583 B19R3.8184 Brc1cccc2c1[nH]nc2CN3CCSCC3 270004a_100000737611_100009814788 [0,1,0,0,0,1|2,0,0]=4 584 B19R3.8184 Cc1cccc2c1[nH]nc2CN3CCOCC3 270004a_100015191051_100000050344 [0,1,0,0,0,1|2,0,0]=4 585 B19R3.8184 Cc1cccc2c1[nH]nc2CN3CCSCC3 270004a_100000737611_100000050344 [0,1,0,0,0,1|2,0,0]=4 586 B19R3.9780 CC1CN(CCO1)Cc2csc3c2cccc3 2230a_100000729577_200000742921 [0,1,0,0,0,1|2,0,0]=4 587 B19R3.9780 CC1CN(CCO1)Cc2csc3c2cccc3 269982a_100000729577_200000742921 [0,1,0,0,0,1|2,0,0]=4 588 B19R3.9780 CC1CN(CCO1)Cc2csc3c2cccc3 270004a_100000729577_100000239721 [0,1,0,0,0,1|2,0,0]=4 589 B19R3.9780 CC1CN(CCO1)Cc2csc3c2cccc3 34a_100000729577_200000742921 [0,1,0,0,0,1|2,0,0]=4 590 B19R3.9780 CC1CN(CCO1)Cc2n[nH]c3c2cccc3 270004a_100000729577_100000059708 [0,1,0,0,0,1|2,0,0]=4 591 B19R3.9780 CC1CN(CCO1)Cc2noc3c2cccc3 34a_100000729577_100009813815 [0,1,0,0,0,1|1,1,0]=4 592 B19R3.9780 C[C@H]1CCCN(C1)Cc2csc3c2cccc3 2230a_100000717927_200000742921 [0,1,0,0,0,1|2,0,0]=4 593 B19R3.9780 C[C@H]1CCCN(C1)Cc2csc3c2cccc3 269982a_100000717927_200000742921 [0,1,0,0,0,1|2,0,0]=4 594 B19R3.9780 C[C@H]1CCCN(C1)Cc2csc3c2cccc3 270004a_100000717927_100000239721 [0,1,0,0,0,1|2,0,0]=4 595 B19R3.9780 C[C@H]1CCCN(C1)Cc2csc3c2cccc3 34a_100000717927_200000742921 [0,1,0,0,0,1|2,0,0]=4 596 B19R3.9780 C[C@H]1CCCN(C1)Cc2n[nH]c3c2cccc3 270004a_100000717927_100000059708 [0,1,0,0,0,1|2,0,0]=4 597 B19R3.9780 C[C@H]1CCCN(C1)Cc2noc3c2cccc3 34a_100000717927_100009813815 [0,1,0,0,0,1|1,1,0]=4 598 B19R3.9780 FC1CCCN(C1)Cc2csc3c2cccc3 2230a_100000697950_200000742921 [0,1,0,0,0,1|2,0,0]=4 599 B19R3.9780 FC1CCCN(C1)Cc2csc3c2cccc3 269982a_100000697950_200000742921 [0,1,0,0,0,1|2,0,0]=4 600 B19R3.9780 FC1CCCN(C1)Cc2csc3c2cccc3 270004a_100000697950_100000239721 [0,1,0,0,0,1|2,0,0]=4 601 B19R3.9780 FC1CCCN(C1)Cc2csc3c2cccc3 34a_100000697950_200000742921 [0,1,0,0,0,1|2,0,0]=4 602 B19R3.9780 FC1CCCN(C1)Cc2n[nH]c3c2cccc3 270004a_100000697950_100000059708 [0,1,0,0,0,1|2,0,0]=4 603 B19R3.9780 FC1CCCN(C1)Cc2noc3c2cccc3 34a_100000697950_100009813815 [0,1,0,0,0,1|1,1,0]=4 604 B19R3.9780 O=C1CN(CCN1)Cc2csc3c2cccc3 2230a_100000184651_200000742921 [0,1,0,0,0,1|1,0,1]=4 605 B19R3.9780 O=C1CN(CCN1)Cc2csc3c2cccc3 270004a_100000184651_100000239721 [0,1,0,0,0,1|1,0,1]=4 606 B19R3.9780 O=C1CN(CCN1)Cc2n[nH]c3c2cccc3 270004a_100000184651_100000059708 [0,1,0,0,0,1|1,0,1]=4 607 B19R3.9780 OC1CCCN(C1)Cc2csc3c2cccc3 2230a_100000211013_200000742921 [0,1,0,0,0,1|2,0,0]=4 608 B19R3.9780 OC1CCCN(C1)Cc2csc3c2cccc3 269982a_100000211013_200000742921 [0,1,0,0,0,1|2,0,0]=4 609 B19R3.9780 OC1CCCN(C1)Cc2csc3c2cccc3 270004a_100000211013_100000239721 [0,1,0,0,0,1|2,0,0]=4 610 B19R3.9780 OC1CCCN(C1)Cc2n[nH]c3c2cccc3 270004a_100000211013_100000059708 [0,1,0,0,0,1|2,0,0]=4 611 B19R3.9780 OC1CN(CCO1)Cc2csc3c2cccc3 2230a_100000688207_200000742921 [0,1,0,0,0,1|2,0,0]=4 612 B19R3.9780 OC1CN(CCO1)Cc2csc3c2cccc3 269982a_100000688207_200000742921 [0,1,0,0,0,1|2,0,0]=4 613 B19R3.9780 OC1CN(CCO1)Cc2csc3c2cccc3 270004a_100000688207_100000239721 [0,1,0,0,0,1|2,0,0]=4 614 B19R3.9780 OC1CN(CCO1)Cc2n[nH]c3c2cccc3 270004a_100000688207_100000059708 [0,1,0,0,0,1|2,0,0]=4 615 B19R3.17443 Cn1nc(c2c1cccc2)CN3CCOCC3 270004a_100015191051_100011361492 [0,1,0,0,0,1|2,0,0]=4 616 B19R3.17443 Cn1nc(c2c1cccc2)CN3CCSCC3 270004a_100000737611_100011361492 [0,1,0,0,0,1|2,0,0]=4 617 B19R3.97 CC1CCCCN1c2cnnc3c2cccc3 27a_100000211376_100000063506 [0,1,0,0,0,1|2,0,0]=4 618 B19R3.97 CC1CCCCN1c2nccc3c2cccc3 27a_100000211376_100011934041 [0,1,0,0,0,1|2,0,0]=4 619 B19R3.97 CC1CCCCN1c2ncnc3c2cccc3 27a_100000211376_100000217608 [0,1,0,0,0,1|2,0,0]=4 620 B19R3.97 C[C@H]1COCCN1c2cnnc3c2cccc3 27a_100009815349_100000063506 [0,1,0,0,0,1|2,0,0]=4 621 B19R3.97 C[C@H]1COCCN1c2nccc3c2cccc3 27a_100009815349_100011934041 [0,1,0,0,0,1|2,0,0]=4 622 B19R3.97 C[C@H]1COCCN1c2ncnc3c2cccc3 27a_100009815349_100000217608 [0,1,0,0,0,1|2,0,0]=4 623 B19R3.102 Cc1ccc2c(nccc2c1)N3CCOCC3 27a_100015191051_100000102439 [0,1,0,0,0,1|2,0,0]=4 624 B19R3.102 Cc1ccc2c(nccc2c1)N3CCSCC3 27a_100000737611_100000102439 [0,1,0,0,0,1|2,0,0]=4 625 B19R3.102 Cc1ccc2c(ncnc2c1)N3CCOCC3 27a_100015191051_100000099684 [0,1,0,0,0,1|2,0,0]=4 626 B19R3.102 Cc1ccc2c(ncnc2c1)N3CCSCC3 27a_100000737611_100000099684 [0,1,0,0,0,1|2,0,0]=4 627 B19R3.102 Fc1ccc2c(nccc2c1)N3CCOCC3 27a_100015191051_100000097391 [0,1,0,0,0,1|2,0,0]=4 628 B19R3.102 Fc1ccc2c(nccc2c1)N3CCSCC3 27a_100000737611_100000097391 [0,1,0,0,0,1|2,0,0]=4 629 B19R3.102 Fc1ccc2c(ncnc2c1)N3CCOCC3 27a_100015191051_100000230349 [0,1,0,0,0,1|2,0,0]=4 630 B19R3.102 Fc1ccc2c(ncnc2c1)N3CCSCC3 27a_100000737611_100000230349 [0,1,0,0,0,1|2,0,0]=4 631 B19R3.294 Cc1cc2ccccc2c(n1)N3CCOCC3 27a_100015191051_100000698243 [0,1,0,0,0,1|2,0,0]=4 632 B19R3.294 Cc1cc2ccccc2c(n1)N3CCSCC3 27a_100000737611_100000698243 [0,1,0,0,0,1|2,0,0]=4 633 B19R3.294 Cc1nc(c2ccccc2n1)N3CCOCC3 27a_100015191051_100000230251 [0,1,0,0,0,1|2,0,0]=4 634 B19R3.294 Cc1nc(c2ccccc2n1)N3CCSCC3 27a_100000737611_100000230251 [0,1,0,0,0,1|2,0,0]=4 635 B19R3.294 Oc1nc(c2ccccc2n1)N3CCOCC3 271570a_203496583355_200000260935 [0,1,0,0,0,1|2,0,0]=4 636 B19R3.421 C=C1CCN(CC1)c2cnnc3c2cccc3 27a_100000752442_100000063506 [0,1,0,0,0,1|2,0,0]=4 637 B19R3.421 C=C1CCN(CC1)c2nccc3c2cccc3 27a_100000752442_100011934041 [0,1,0,0,0,1|2,0,0]=4 638 B19R3.421 C=C1CCN(CC1)c2ncnc3c2cccc3 27a_100000752442_100000217608 [0,1,0,0,0,1|2,0,0]=4 639 B19R3.421 CC1CCN(CC1)c2cnnc3c2cccc3 27a_100000188429_100000063506 [0,1,0,0,0,1|2,0,0]=4 640 B19R3.421 CC1CCN(CC1)c2nccc3c2cccc3 27a_100000188429_100011934041 [0,1,0,0,0,1|2,0,0]=4 641 B19R3.421 CC1CCN(CC1)c2ncnc3c2cccc3 27a_100000188429_100000217608 [0,1,0,0,0,1|2,0,0]=4 642 B19R3.421 CN1CCN(CC1)c2cccc3c2cccc3 2230a_100020605265_200000210301 [0,1,0,0,0,1|2,0,0]=4 643 B19R3.421 CN1CCN(CC1)c2cccc3c2cccc3 269982a_100020605265_200000210301 [0,1,0,0,0,1|2,0,0]=4 644 B19R3.421 CN1CCN(CC1)c2ccnc3c2cccc3 27a_100000188432_100011215880 [0,1,0,0,0,1|2,0,0]=4 645 B19R3.421 CN1CCN(CC1)c2cncc3c2cccn3 27a_100000188432_100010211308 [0,1,0,0,0,1|2,0,0]=4 646 B19R3.421 CN1CCN(CC1)c2cnnc3c2cccc3 27a_100000188432_100000063506 [0,1,0,0,0,1|1,0,0]=3 647 B19R3.421 CN1CCN(CC1)c2nccc3c2cccc3 2230a_200006007915_200000210301 [0,1,0,0,0,1|1,0,0]=3 648 B19R3.421 CN1CCN(CC1)c2nccc3c2cccc3 269982a_200006007915_200000210301 [0,1,0,0,0,1|1,0,0]=3 649 B19R3.421 CN1CCN(CC1)c2nccc3c2cccc3 27a_100000188432_100011934041 [0,1,0,0,0,1|1,0,0]=3 650 B19R3.421 CN1CCN(CC1)c2nccc3c2cccn3 27a_100000188432_100000077681 [0,1,0,0,0,1|2,0,0]=4 651 B19R3.421 CN1CCN(CC1)c2nccc3c2cncc3 27a_100000188432_100000116921 [0,1,0,0,0,1|2,0,0]=4 652 B19R3.421 CN1CCN(CC1)c2nccc3c2nccc3 27a_100000188432_100010063729 [0,1,0,0,0,1|2,0,0]=4 653 B19R3.421 CN1CCN(CC1)c2ncnc3c2cccc3 27a_100000188432_100000217608 [0,1,0,0,0,1|1,0,0]=3 654 B19R3.421 CN1CCN(CC1)c2ncnc3c2cccn3 27a_100000188432_100000026734 [0,1,0,0,0,1|2,0,0]=4 655 B19R3.421 CN1CCN(CC1)c2ncnc3c2ccnc3 27a_100000188432_100000098430 [0,1,0,0,0,1|2,0,0]=4 656 B19R3.421 CN1CCN(CC1)c2ncnc3c2nccc3 27a_100000188432_100000063688 [0,1,0,0,0,1|2,0,0]=4 657 B19R3.421 FC1CCN(CC1)c2cnnc3c2cccc3 27a_100015193889_100000063506 [0,1,0,0,0,1|2,0,0]=4 658 B19R3.421 FC1CCN(CC1)c2nccc3c2cccc3 27a_100015193889_100011934041 [0,1,0,0,0,1|2,0,0]=4 659 B19R3.421 FC1CCN(CC1)c2ncnc3c2cccc3 27a_100015193889_100000217608 [0,1,0,0,0,1|2,0,0]=4 660 B19R3.421 O=S1CCN(CC1)c2cnnc3c2cccc3 27a_100000752083_100000063506 [0,1,0,0,0,1|2,0,0]=4 661 B19R3.421 O=S1CCN(CC1)c2nccc3c2cccc3 27a_100000752083_100011934041 [0,1,0,0,0,1|2,0,0]=4 662 B19R3.421 O=S1CCN(CC1)c2ncnc3c2cccc3 27a_100000752083_100000217608 [0,1,0,0,0,1|2,0,0]=4 663 B19R3.421 OC1CCN(CC1)c2cnnc3c2cccc3 27a_100025773856_100000063506 [0,1,0,0,0,1|2,0,0]=4 664 B19R3.421 OC1CCN(CC1)c2nccc3c2cccc3 27a_100025773856_100011934041 [0,1,0,0,0,1|2,0,0]=4 665 B19R3.421 OC1CCN(CC1)c2ncnc3c2cccc3 27a_100025773856_100000217608 [0,1,0,0,0,1|2,0,0]=4 666 B19R3.421 [13CH3]N1CCN(CC1)c2cccc3c2cccc3 2230a_100020605265_200025704644 [0,1,0,0,0,1|2,0,0]=4 667 B19R3.421 [13CH3]N1CCN(CC1)c2cccc3c2cccc3 269982a_100020605265_200025704644 [0,1,0,0,0,1|2,0,0]=4 668 B19R3.421 [13CH3]N1CCN(CC1)c2nccc3c2cccc3 2230a_200006007915_200025704644 [0,1,0,0,0,1|1,0,0]=3 669 B19R3.421 [13CH3]N1CCN(CC1)c2nccc3c2cccc3 269982a_200006007915_200025704644 [0,1,0,0,0,1|1,0,0]=3 670 B19R3.4066 Cc1ccc2ncnc(c2c1)N3CCOCC3 27a_100015191051_100000743341 [0,1,0,0,0,1|2,0,0]=4 671 B19R3.4066 Cc1ccc2ncnc(c2c1)N3CCSCC3 27a_100000737611_100000743341 [0,1,0,0,0,1|2,0,0]=4 672 B19R3.4066 Fc1ccc2ccnc(c2c1)N3CCOCC3 27a_100015191051_100010202866 [0,1,0,0,0,1|2,0,0]=4 673 B19R3.4066 Fc1ccc2ccnc(c2c1)N3CCSCC3 27a_100000737611_100010202866 [0,1,0,0,0,1|2,0,0]=4 674 B19R3.4066 Fc1ccc2ncnc(c2c1)N3CCOCC3 27a_100015191051_100000743340 [0,1,0,0,0,1|2,0,0]=4 675 B19R3.4066 Fc1ccc2ncnc(c2c1)N3CCSCC3 27a_100000737611_100000743340 [0,1,0,0,0,1|2,0,0]=4 676 B19R3.8297 Cc1cccc2c1ccnc2N3CCOCC3 27a_100015191051_100012002547 [0,1,0,0,0,1|2,0,0]=4 677 B19R3.8297 Cc1cccc2c1ccnc2N3CCSCC3 27a_100000737611_100012002547 [0,1,0,0,0,1|2,0,0]=4 678 B19R3.8297 Cc1cccc2c1ncnc2N3CCOCC3 27a_100015191051_100000751292 [0,1,0,0,0,1|2,0,0]=4 679 B19R3.8297 Cc1cccc2c1ncnc2N3CCSCC3 27a_100000737611_100000751292 [0,1,0,0,0,1|2,0,0]=4 680 B19R3.8297 Fc1cccc2c1ccnc2N3CCOCC3 27a_100015191051_100012180906 [0,1,0,0,0,1|2,0,0]=4 681 B19R3.8297 Fc1cccc2c1ccnc2N3CCSCC3 27a_100000737611_100012180906 [0,1,0,0,0,1|2,0,0]=4 682 B19R3.8297 Fc1cccc2c1ncnc2N3CCOCC3 27a_100015191051_100000693626 [0,1,0,0,0,1|2,0,0]=4 683 B19R3.8297 Fc1cccc2c1ncnc2N3CCSCC3 27a_100000737611_100000693626 [0,1,0,0,0,1|2,0,0]=4 684 B19R3.8297 Nc1cccc2c1ccnc2N3CCOCC3 27a_100015191051_100000070072 [0,1,0,0,0,1|2,0,0]=4 685 B19R3.8297 Nc1cccc2c1ccnc2N3CCSCC3 27a_100000737611_100000070072 [0,1,0,0,0,1|2,0,0]=4 686 B19R3.9008 Cc1cnc(c2c1cccc2)N3CCOCC3 27a_100015191051_100000112005 [0,1,0,0,0,1|2,0,0]=4 687 B19R3.9008 Cc1cnc(c2c1cccc2)N3CCSCC3 27a_100000737611_100000112005 [0,1,0,0,0,1|2,0,0]=4 688 B19R3.9008 Cc1nnc(c2c1cccc2)N3CCOCC3 27a_100015191051_100000189618 [0,1,0,0,0,1|2,0,0]=4 689 B19R3.9008 Cc1nnc(c2c1cccc2)N3CCSCC3 27a_100000737611_100000189618 [0,1,0,0,0,1|2,0,0]=4 690 B19R3.9760 CC1CN(CCO1)c2cnnc3c2cccc3 27a_100000729577_100000063506 [0,1,0,0,0,1|2,0,0]=4 691 B19R3.9760 CC1CN(CCO1)c2nccc3c2cccc3 27a_100000729577_100011934041 [0,1,0,0,0,1|2,0,0]=4 692 B19R3.9760 CC1CN(CCO1)c2ncnc3c2cccc3 27a_100000729577_100000217608 [0,1,0,0,0,1|2,0,0]=4 693 B19R3.9760 C[C@H]1CCCN(C1)c2cnnc3c2cccc3 27a_100000717927_100000063506 [0,1,0,0,0,1|2,0,0]=4 694 B19R3.9760 C[C@H]1CCCN(C1)c2nccc3c2cccc3 27a_100000717927_100011934041 [0,1,0,0,0,1|2,0,0]=4 695 B19R3.9760 C[C@H]1CCCN(C1)c2ncnc3c2cccc3 27a_100000717927_100000217608 [0,1,0,0,0,1|2,0,0]=4 696 B19R3.9760 FC1CCCN(C1)c2cnnc3c2cccc3 27a_100000697950_100000063506 [0,1,0,0,0,1|2,0,0]=4 697 B19R3.9760 FC1CCCN(C1)c2nccc3c2cccc3 27a_100000697950_100011934041 [0,1,0,0,0,1|2,0,0]=4 698 B19R3.9760 FC1CCCN(C1)c2ncnc3c2cccc3 27a_100000697950_100000217608 [0,1,0,0,0,1|2,0,0]=4 699 B19R3.9760 O=C1CN(CCN1)c2cnnc3c2cccc3 27a_100000184651_100000063506 [0,1,0,0,0,1|1,0,1]=4 700 B19R3.9760 O=C1CN(CCN1)c2nccc3c2cccc3 27a_100000184651_100011934041 [0,1,0,0,0,1|1,0,1]=4 701 B19R3.9760 O=C1CN(CCN1)c2ncnc3c2cccc3 27a_100000184651_100000217608 [0,1,0,0,0,1|1,0,1]=4 702 B19R3.9760 OC1CCCN(C1)c2cnnc3c2cccc3 27a_100000211013_100000063506 [0,1,0,0,0,1|2,0,0]=4 703 B19R3.9760 OC1CCCN(C1)c2nccc3c2cccc3 27a_100000211013_100011934041 [0,1,0,0,0,1|2,0,0]=4 704 B19R3.9760 OC1CCCN(C1)c2ncnc3c2cccc3 27a_100000211013_100000217608 [0,1,0,0,0,1|2,0,0]=4 705 B19R3.150373 Fc1cccc2c1c(ncn2)N3CCOCC3 27a_100015191051_100000743342 [0,1,0,0,0,1|2,0,0]=4 706 B19R3.150373 Fc1cccc2c1c(ncn2)N3CCSCC3 27a_100000737611_100000743342 [0,1,0,0,0,1|2,0,0]=4 707 B19R3.3862 C=C1CCN(CC1)c2ncc3ccccc3n2 27a_100000752442_100000097389 [0,1,0,0,0,1|2,0,0]=4 708 B19R3.3862 CC1CCN(CC1)c2ncc3ccccc3n2 27a_100000188429_100000097389 [0,1,0,0,0,1|2,0,0]=4 709 B19R3.3862 CN1CCN(CC1)c2ccc3ccccc3n2 2230a_100000285989_200000210301 [0,1,0,0,0,1|2,0,0]=4 710 B19R3.3862 CN1CCN(CC1)c2ccc3ccccc3n2 269982a_100000285989_200000210301 [0,1,0,0,0,1|2,0,0]=4 711 B19R3.3862 CN1CCN(CC1)c2ccc3ccccc3n2 27a_100000188432_100011291633 [0,1,0,0,0,1|2,0,0]=4 712 B19R3.3862 CN1CCN(CC1)c2cnc3ccccc3n2 27a_100000188432_100000756483 [0,1,0,0,0,1|2,0,0]=4 713 B19R3.3862 CN1CCN(CC1)c2ncc3ccccc3n2 27a_100000188432_100000097389 [0,1,0,0,0,1|1,0,0]=3 714 B19R3.3862 CN1CCN(CC1)c2ncc3cccnc3n2 27a_100000188432_100009875485 [0,1,0,0,0,1|2,0,0]=4 715 B19R3.3862 FC1CCN(CC1)c2ncc3ccccc3n2 27a_100015193889_100000097389 [0,1,0,0,0,1|2,0,0]=4 716 B19R3.3862 O=S1CCN(CC1)c2ncc3ccccc3n2 27a_100000752083_100000097389 [0,1,0,0,0,1|2,0,0]=4 717 B19R3.3862 OC1CCN(CC1)c2ncc3ccccc3n2 27a_100025773856_100000097389 [0,1,0,0,0,1|2,0,0]=4 718 B19R3.3862 [13CH3]N1CCN(CC1)c2ccc3ccccc3n2 2230a_100000285989_200025704644 [0,1,0,0,0,1|2,0,0]=4 719 B19R3.3862 [13CH3]N1CCN(CC1)c2ccc3ccccc3n2 269982a_100000285989_200025704644 [0,1,0,0,0,1|2,0,0]=4 720 B19R3.3971 CC1CN(CCO1)c2ncc3ccccc3n2 27a_100000729577_100000097389 [0,1,0,0,0,1|2,0,0]=4 721 B19R3.3971 C[C@H]1CCCN(C1)c2ncc3ccccc3n2 27a_100000717927_100000097389 [0,1,0,0,0,1|2,0,0]=4 722 B19R3.3971 FC1CCCN(C1)c2ncc3ccccc3n2 27a_100000697950_100000097389 [0,1,0,0,0,1|2,0,0]=4 723 B19R3.3971 O=C1CN(CCN1)c2ncc3ccccc3n2 27a_100000184651_100000097389 [0,1,0,0,0,1|1,0,1]=4 724 B19R3.3971 OC1CCCN(C1)c2ncc3ccccc3n2 27a_100000211013_100000097389 [0,1,0,0,0,1|2,0,0]=4 725 B19R3.4010 Fc1ccc2cnc(nc2c1)N3CCOCC3 27a_100015191051_100000104070 [0,1,0,0,0,1|2,0,0]=4 726 B19R3.4010 Fc1ccc2cnc(nc2c1)N3CCSCC3 27a_100000737611_100000104070 [0,1,0,0,0,1|2,0,0]=4 727 B19R3.5517 CC1CCCCN1c2ncc3ccccc3n2 27a_100000211376_100000097389 [0,1,0,0,0,1|2,0,0]=4 728 B19R3.5517 C[C@H]1COCCN1c2ncc3ccccc3n2 27a_100009815349_100000097389 [0,1,0,0,0,1|2,0,0]=4 729 B19R3.9171 Cc1nc(nc2c1cccc2)N3CCOCC3 27a_100015191051_100000046098 [0,1,0,0,0,1|2,0,0]=4 730 B19R3.9171 Cc1nc(nc2c1cccc2)N3CCSCC3 27a_100000737611_100000046098 [0,1,0,0,0,1|2,0,0]=4 731 B19R3.9171 Nc1nc(nc2c1cccc2)N3CCOCC3 27a_100015191051_100000690328 [0,1,0,0,0,1|2,0,0]=4 732 B19R3.9171 Nc1nc(nc2c1cccc2)N3CCSCC3 27a_100000737611_100000690328 [0,1,0,0,0,1|2,0,0]=4 733 B19R3.9171 Oc1nc(nc2c1cccc2)N3CCOCC3 27a_100015191051_100000187174 [0,1,0,0,0,1|2,0,0]=4 734 B19R3.9171 Oc1nc(nc2c1cccc2)N3CCSCC3 27a_100000737611_100000187174 [0,1,0,0,0,1|2,0,0]=4 735 B19R3.5 CCN1CCC(CC1)c2noc3c2cccc3 2230a_100020645495_100000210202 [0,2,0,0,0,0|1,1,0]=4 736 B19R3.5 CCN1CCC(CC1)c2noc3c2cccc3 269982a_100020645495_100000204670 [0,2,0,0,0,0|1,1,0]=4 737 B19R3.5 CCN1CCN(CC1)c2n[nH]c3c2cccn3 27a_100000210033_100009818534 [0,2,0,0,0,0|2,0,0]=4 738 B19R3.5 CCN1CCN(CC1)c2n[nH]c3c2cncc3 27a_100000210033_100009820117 [0,2,0,0,0,0|2,0,0]=4 739 B19R3.5 CCN1CCN(CC1)c2n[nH]c3c2nccc3 27a_100000210033_100009817118 [0,2,0,0,0,0|2,0,0]=4 740 B19R3.5 CCN1CCN(CC1)c2nsc3c2cccc3 2230a_100015183696_100000210202 [0,2,0,0,0,0|0,0,0]=2 741 B19R3.5 CCN1CCN(CC1)c2nsc3c2cccc3 269982a_100015183696_100000204670 [0,2,0,0,0,0|0,0,0]=2 742 B19R3.5 FCN1CCC(CC1)c2noc3c2cccc3 269982a_100020645495_100015361967 [0,2,0,0,0,0|1,1,0]=4 743 B19R3.5 FCN1CCN(CC1)c2nsc3c2cccc3 269982a_100015183696_100015361967 [0,2,0,0,0,0|0,0,0]=2 744 B19R3.429 C[C@H]1CN(CCN1C)c2n[nH]c3c2cccn3 27a_100020603432_100009818534 [0,2,0,0,0,0|2,0,0]=4 745 B19R3.429 C[C@H]1CN(CCN1C)c2n[nH]c3c2cncc3 27a_100020603432_100009820117 [0,2,0,0,0,0|2,0,0]=4 746 B19R3.429 C[C@H]1CN(CCN1C)c2n[nH]c3c2nccc3 27a_100020603432_100009817118 [0,2,0,0,0,0|2,0,0]=4 747 B19R3.9949 C[C@H]1CN(CCN1c2n[nH]c3c2cccn3)C 27a_100012002466_100009818534 [0,2,0,0,0,0|2,0,0]=4 748 B19R3.9949 C[C@H]1CN(CCN1c2n[nH]c3c2cncc3)C 27a_100012002466_100009820117 [0,2,0,0,0,0|2,0,0]=4 749 B19R3.9949 C[C@H]1CN(CCN1c2n[nH]c3c2nccc3)C 27a_100012002466_100009817118 [0,2,0,0,0,0|2,0,0]=4 750 B19R3.52504 CN1CCC(CC1)c2noc3c2cc(cc3)F 2230a_100000063650_200000210301 [0,2,0,0,0,0|1,1,0]=4 751 B19R3.52504 CN1CCC(CC1)c2noc3c2cc(cc3)F 269982a_100000063650_200000210301 [0,2,0,0,0,0|1,1,0]=4 752 B19R3.52504 CN1CCC(CC1)c2noc3c2cc(cc3)F 34a_100000063650_200000210301 [0,2,0,0,0,0|1,1,0]=4 753 B19R3.52504 [13CH3]N1CCC(CC1)c2noc3c2cc(cc3)F 2230a_100000063650_200025704644 [0,2,0,0,0,0|1,1,0]=4 754 B19R3.52504 [13CH3]N1CCC(CC1)c2noc3c2cc(cc3)F 269982a_100000063650_200025704644 [0,2,0,0,0,0|1,1,0]=4 755 B19R3.52504 [13CH3]N1CCC(CC1)c2noc3c2cc(cc3)F 34a_100000063650_200025704644 [0,2,0,0,0,0|1,1,0]=4 756 B19R3.239436 CN1CCN(CC1)c2nn(c3c2cccn3)C 27a_100000188432_100010248644 [0,2,0,0,0,0|2,0,0]=4 757 B19R3.2130560 CN1CCC(CC1)c2noc3c2ccc(c3)F 2230a_100000732594_200000210301 [0,2,0,0,0,0|1,1,0]=4 758 B19R3.2130560 CN1CCC(CC1)c2noc3c2ccc(c3)F 269982a_100000732594_200000210301 [0,2,0,0,0,0|1,1,0]=4 759 B19R3.2130560 CN1CCC(CC1)c2noc3c2ccc(c3)F 34a_100000732594_200000210301 [0,2,0,0,0,0|1,1,0]=4 760 B19R3.2130560 CN1CCN(CC1)c2n[nH]c3c2ncc(c3)Br 27a_100000188432_100010289622 [0,2,0,0,0,0|2,0,0]=4 761 B19R3.2130560 [13CH3]N1CCC(CC1)c2noc3c2ccc(c3)F 2230a_100000732594_200025704644 [0,2,0,0,0,0|1,1,0]=4 762 B19R3.2130560 [13CH3]N1CCC(CC1)c2noc3c2ccc(c3)F 269982a_100000732594_200025704644 [0,2,0,0,0,0|1,1,0]=4 763 B19R3.2130560 [13CH3]N1CCC(CC1)c2noc3c2ccc(c3)F 34a_100000732594_200025704644 [0,2,0,0,0,0|1,1,0]=4 764 B19R3.6014 Cc1cc(c2c(nsc2n1)N3CCOCC3)C 27a_100015191051_200009998358 [0,2,0,0,0,0|2,0,0]=4 765 B19R3.6014 Cc1cc(c2c(nsc2n1)N3CCSCC3)C 27a_100000737611_200009998358 [0,2,0,0,0,0|2,0,0]=4 766 B19R3.14419 N#Cc1cccc2c1[nH]nc2N3CCOCC3 27a_100015191051_100010245458 [0,2,0,0,0,0|2,0,0]=4 767 B19R3.14419 N#Cc1cccc2c1[nH]nc2N3CCSCC3 27a_100000737611_100010245458 [0,2,0,0,0,0|2,0,0]=4 768 B15R1.3965 CCNCCNC(=O)c1ccccc1Cl 2230a_100000737833_100000210202 [0,0,2,0,0,0|2,0,0]=4 769 B15R1.3965 CCNCCNC(=O)c1ccccc1Cl 34a_100000737833_100000210202 [0,0,2,0,0,0|2,0,0]=4 770 B19R4.23744 c1ccc2c(csc2c1)CN3CC4CC4C3 2230a_100000741873_200000742921 [0,0,0,1,0,1|2,0,0]=4 771 B19R4.23744 c1ccc2c(csc2c1)CN3CC4CC4C3 269982a_100000741873_200000742921 [0,0,0,1,0,1|2,0,0]=4 772 B19R4.23744 c1ccc2c(csc2c1)CN3CC4CC4C3 270004a_100000741873_100000239721 [0,0,0,1,0,1|2,0,0]=4 773 B19R4.23744 c1ccc2c(csc2c1)CN3CC4CC4C3 34a_100000741873_200000742921 [0,0,0,1,0,1|2,0,0]=4 774 B19R4.23744 c1ccc2c(n[nH]c2c1)CN3CC4CC4C3 270004a_100000741873_100000059708 [0,0,0,1,0,1|2,0,0]=4 775 B19R4.23744 c1ccc2c(noc2c1)CN3CC4CC4C3 34a_100000741873_100009813815 [0,0,0,1,0,1|1,1,0]=4 776 B19R4.2161 c1ccc2c(cnnc2c1)N3CC4CC4C3 27a_100000741873_100000063506 [0,0,0,1,0,1|2,0,0]=4 777 B19R4.2161 c1ccc2c(nccc2c1)N3CC4CC4C3 27a_100000741873_100011934041 [0,0,0,1,0,1|2,0,0]=4 778 B19R4.2161 c1ccc2c(ncnc2c1)N3CC4CC4C3 27a_100000741873_100000217608 [0,0,0,1,0,1|2,0,0]=4 779 B19R4.1286900 c1ccc2nc(ncc2c1)N3CC4CC4C3 27a_100000741873_100000097389 [0,0,0,1,0,1|2,0,0]=4 780 B15R2.21 C=Cc1ccccc1N2CCNCC2 271570a_100011290941_102495324788 [0,0,1,0,1,0|2,0,0]=4 781 B15R2.21 COc1ccccc1N2CCNCC2 34a_100000688944_200000210301 [0,0,1,0,1,0|1,1,0]=4 782 B15R2.21 CSc1ccccc1N2CCCCC2 62a_100159312943_200000210301 [0,0,1,0,1,0|2,0,0]=4 783 B15R2.21 CSc1ccccc1N2CCCCC2 62a_200000210301_100159312943 [0,0,1,0,1,0|2,0,0]=4 784 B15R2.21 CSc1ccccc1N2CCNCC2 62a_102495324788_200000210301 [0,0,1,0,1,0|1,0,0]=3 785 B15R2.21 CSc1ccccc1N2CCNCC2 62a_200000210301_102495324788 [0,0,1,0,1,0|1,0,0]=3 786 B15R2.21 CSc1ccccc1N2CCOCC2 62a_100011821384_200000210301 [0,0,1,0,1,0|2,0,0]=4 787 B15R2.21 CSc1ccccc1N2CCOCC2 62a_200000210301_100011821384 [0,0,1,0,1,0|2,0,0]=4 788 B15R2.21 CSc1cccnc1N2CCNCC2 62a_200000047011_200000210301 [0,0,1,0,1,0|2,0,0]=4 789 B15R2.21 CSc1cccnc1N2CCNCC2 62a_200000210301_200000047011 [0,0,1,0,1,0|2,0,0]=4 790 B15R2.21 [13CH3]Oc1ccccc1N2CCNCC2 34a_100000688944_200025704644 [0,0,1,0,1,0|1,1,0]=4 791 B15R2.21 [13CH3]Sc1ccccc1N2CCCCC2 62a_100159312943_200025704644 [0,0,1,0,1,0|2,0,0]=4 792 B15R2.21 [13CH3]Sc1ccccc1N2CCCCC2 62a_200025704644_100159312943 [0,0,1,0,1,0|2,0,0]=4 793 B15R2.21 [13CH3]Sc1ccccc1N2CCNCC2 62a_102495324788_200025704644 [0,0,1,0,1,0|1,0,0]=3 794 B15R2.21 [13CH3]Sc1ccccc1N2CCNCC2 62a_200025704644_102495324788 [0,0,1,0,1,0|1,0,0]=3 795 B15R2.21 [13CH3]Sc1ccccc1N2CCOCC2 62a_100011821384_200025704644 [0,0,1,0,1,0|2,0,0]=4 796 B15R2.21 [13CH3]Sc1ccccc1N2CCOCC2 62a_200025704644_100011821384 [0,0,1,0,1,0|2,0,0]=4 797 B15R2.21 [13CH3]Sc1cccnc1N2CCNCC2 62a_200000047011_200025704644 [0,0,1,0,1,0|2,0,0]=4 798 B15R2.21 [13CH3]Sc1cccnc1N2CCNCC2 62a_200025704644_200000047011 [0,0,1,0,1,0|2,0,0]=4 799 B15R2.123 CSc1ccccc1C=C2CCCC2 271570a_100010378317_100011217816 [0,0,1,0,1,0|2,0,0]=4 800 B15R2.123 CSc1ccccc1CN2CCCC2 2230a_100000188435_100000699184 [0,0,1,0,1,0|1,0,1]=4 801 B15R2.123 CSc1ccccc1CN2CCCC2 269982a_100000188435_100000699184 [0,0,1,0,1,0|1,0,1]=4 802 B15R2.123 CSc1ccccc1CN2CCCC2 270004a_100000188435_100011217347 [0,0,1,0,1,0|1,0,1]=4 803 B15R2.2195 c1ccc(cc1)SCN2CCOCC2 2230a_100015191051_100011218342 [0,0,1,0,1,0|1,0,1]=4 804 B15R2.2195 c1ccc(cc1)SCN2CCOCC2 269982a_100015191051_100011218342 [0,0,1,0,1,0|1,0,1]=4 805 B15R2.2195 c1ccc(cc1)SCN2CCSCC2 2230a_100000737611_100011218342 [0,0,1,0,1,0|1,0,1]=4 806 B15R2.2195 c1ccc(cc1)SCN2CCSCC2 269982a_100000737611_100011218342 [0,0,1,0,1,0|1,0,1]=4 807 B15R2.2196 C(=NNc1ccccc1)C2CCCC2 4a_100015195140_100000746403 [0,0,1,0,1,0|2,0,0]=4 808 B15R2.2196 c1ccc(cc1)SCCN2CCCC2 2230a_100000188435_100000246102 [0,0,1,0,1,0|1,0,1]=4 809 B15R2.2196 c1ccc(cc1)SCCN2CCCC2 269982a_100000188435_100000246102 [0,0,1,0,1,0|1,0,1]=4 810 B15R2.2196 c1ccc(cc1)SCCN2CCCC2 62a_100000700749_100000041952 [0,0,1,0,1,0|1,0,1]=4 811 B15R2.2196 c1ccc(cc1)SCCN2CCCC2 62a_100000719477_100000004467 [0,0,1,0,1,0|1,0,1]=4 812 B15R2.358 Cc1ccccc1C(=O)N2CCCC2 240690a_100000188435_100000212026 [0,0,1,0,1,0|2,0,0]=4 813 B15R2.358 Cc1ccccc1C(=O)N2CCCC2 527a_100000188435_100000212026 [0,0,1,0,1,0|2,0,0]=4 814 B15R2.358 O=C(c1ccccc1Br)N2CCCC2 240690a_100000188435_100000188424 [0,0,1,0,1,0|2,0,0]=4 815 B15R2.358 O=C(c1ccccc1Br)N2CCCC2 527a_100000188435_100000188424 [0,0,1,0,1,0|2,0,0]=4 816 B15R2.358 O=C(c1ccccc1Cl)N2CCCC2 240690a_100000188435_100000185844 [0,0,1,0,1,0|2,0,0]=4 817 B15R2.358 O=C(c1ccccc1Cl)N2CCCC2 527a_100000188435_100000185844 [0,0,1,0,1,0|2,0,0]=4 818 B15R2.358 O=C(c1ccccc1F)N2CCCC2 240690a_100000188435_100000188656 [0,0,1,0,1,0|2,0,0]=4 819 B15R2.358 O=C(c1ccccc1F)N2CCCC2 527a_100000188435_100000188656 [0,0,1,0,1,0|2,0,0]=4 820 B15R2.358 O=C(c1ccccc1I)N2CCCC2 240690a_100000188435_100000187884 [0,0,1,0,1,0|2,0,0]=4 821 B15R2.358 O=C(c1ccccc1I)N2CCCC2 527a_100000188435_100000187884 [0,0,1,0,1,0|2,0,0]=4 822 B15R2.358 O=C(c1ccccc1O)N2CCCC2 240690a_100000188435_100015234032 [0,0,1,0,1,0|1,1,0]=4 823 B15R2.358 O=C(c1ccccc1O)N2CCCC2 271570a_203496583355_200000153373 [0,0,1,0,1,0|1,1,0]=4 824 B15R2.358 O=C(c1ccccc1[O-])N2CCCC2 240690a_100000188435_100009911694 [0,0,1,0,1,0|1,1,0]=4 825 B15R2.358 O=C(c1ccccc1[O-])N2CCCC2 527a_100000188435_100009911694 [0,0,1,0,1,0|1,1,0]=4 826 B15R3.1701 c1ccc2c(c1)CC2N3CCCC3 269982a_100000188435_100009813401 [0,0,0,0,2,0|1,0,1]=4 827 B15R3.1736 c1cc2[nH]nc(c2cn1)N3CCC3 27a_100000754969_100009820117 [0,0,0,0,2,0|2,0,0]=4 828 B15R3.1736 c1cnc2[nH]nc(c2c1)N3CCC3 27a_100000754969_100009818534 [0,0,0,0,2,0|2,0,0]=4 829 B15R3.1736 c1cnc2c(n[nH]c2c1)N3CCC3 27a_100000754969_100009817118 [0,0,0,0,2,0|2,0,0]=4 830 B17R2.5879 CCCCCNc1ncc2ccccc2n1 27a_100000209983_100000097389 [0,0,1,0,0,1|2,0,0]=4 831 B17R2.5879 CCOCCNc1ncc2ccccc2n1 27a_100011200944_100000097389 [0,0,1,0,0,1|2,0,0]=4 832 B17R2.5879 CCSCCNc1ncc2ccccc2n1 27a_100000106463_100000097389 [0,0,1,0,0,1|2,0,0]=4 833 B17R2.148072 CCCCCNc1cnnc2c1cccc2 27a_100000209983_100000063506 [0,0,1,0,0,1|2,0,0]=4 834 B17R2.148072 CCCCCNc1nccc2c1cccc2 27a_100000209983_100011934041 [0,0,1,0,0,1|2,0,0]=4 835 B17R2.148072 CCCCCNc1ncnc2c1cccc2 27a_100000209983_100000217608 [0,0,1,0,0,1|2,0,0]=4 836 B17R2.148072 CCOCCNc1cnnc2c1cccc2 27a_100011200944_100000063506 [0,0,1,0,0,1|2,0,0]=4 837 B17R2.148072 CCOCCNc1nccc2c1cccc2 27a_100011200944_100011934041 [0,0,1,0,0,1|2,0,0]=4 838 B17R2.148072 CCOCCNc1ncnc2c1cccc2 27a_100011200944_100000217608 [0,0,1,0,0,1|2,0,0]=4 839 B17R2.148072 CCSCCNc1cnnc2c1cccc2 27a_100000106463_100000063506 [0,0,1,0,0,1|2,0,0]=4 840 B17R2.148072 CCSCCNc1nccc2c1cccc2 27a_100000106463_100011934041 [0,0,1,0,0,1|2,0,0]=4 841 B17R2.148072 CCSCCNc1ncnc2c1cccc2 27a_100000106463_100000217608 [0,0,1,0,0,1|2,0,0]=4 842 B17R2.2104 CCCCN(C)c1ncc2ccccc2n1 27a_100000207549_100000097389 [0,0,1,0,0,1|2,0,0]=4 843 B17R2.2104 COCCN(C)c1ncc2ccccc2n1 27a_100000743101_100000097389 [0,0,1,0,0,1|2,0,0]=4 844 B17R2.2104 CSCCN(C)c1ncc2ccccc2n1 27a_100000686725_100000097389 [0,0,1,0,0,1|2,0,0]=4 845 B17R2.440810 CCCCN(C)c1cnnc2c1cccc2 27a_100000207549_100000063506 [0,0,1,0,0,1|2,0,0]=4 846 B17R2.440810 CCCCN(C)c1nccc2c1cccc2 27a_100000207549_100011934041 [0,0,1,0,0,1|2,0,0]=4 847 B17R2.440810 CCCCN(C)c1ncnc2c1cccc2 27a_100000207549_100000217608 [0,0,1,0,0,1|2,0,0]=4 848 B17R2.440810 COCCN(C)c1cnnc2c1cccc2 27a_100000743101_100000063506 [0,0,1,0,0,1|2,0,0]=4 849 B17R2.440810 COCCN(C)c1nccc2c1cccc2 27a_100000743101_100011934041 [0,0,1,0,0,1|2,0,0]=4 850 B17R2.440810 COCCN(C)c1ncnc2c1cccc2 27a_100000743101_100000217608 [0,0,1,0,0,1|2,0,0]=4 851 B17R2.440810 CSCCN(C)c1cnnc2c1cccc2 27a_100000686725_100000063506 [0,0,1,0,0,1|2,0,0]=4 852 B17R2.440810 CSCCN(C)c1nccc2c1cccc2 27a_100000686725_100011934041 [0,0,1,0,0,1|2,0,0]=4 853 B17R2.440810 CSCCN(C)c1ncnc2c1cccc2 27a_100000686725_100000217608 [0,0,1,0,0,1|2,0,0]=4 854 B17R2.1 CCCN(CC)Cc1csc2c1cccc2 2230a_100000226822_200000742921 [0,0,1,0,0,1|2,0,0]=4 855 B17R2.1 CCCN(CC)Cc1csc2c1cccc2 269982a_100000226822_200000742921 [0,0,1,0,0,1|2,0,0]=4 856 B17R2.1 CCCN(CC)Cc1csc2c1cccc2 270004a_100000226822_100000239721 [0,0,1,0,0,1|2,0,0]=4 857 B17R2.1 CCCN(CC)Cc1n[nH]c2c1cccc2 270004a_100000226822_100000059708 [0,0,1,0,0,1|2,0,0]=4 858 B17R2.1 CCN(CCO)Cc1csc2c1cccc2 2230a_100000210973_200000742921 [0,0,1,0,0,1|2,0,0]=4 859 B17R2.1 CCN(CCO)Cc1csc2c1cccc2 269982a_100000210973_200000742921 [0,0,1,0,0,1|2,0,0]=4 860 B17R2.1 CCN(CCO)Cc1csc2c1cccc2 270004a_100000210973_100000239721 [0,0,1,0,0,1|2,0,0]=4 861 B17R2.1 CCN(CCO)Cc1n[nH]c2c1cccc2 270004a_100000210973_100000059708 [0,0,1,0,0,1|2,0,0]=4 862 B17R2.3604 CCCN(CC)c1ncc2ccccc2n1 27a_100000226822_100000097389 [0,0,1,0,0,1|2,0,0]=4 863 B17R2.3604 CCN(CCO)c1ncc2ccccc2n1 27a_100000210973_100000097389 [0,0,1,0,0,1|2,0,0]=4 864 B17R2.163534 CCCN(CC)c1cnnc2c1cccc2 27a_100000226822_100000063506 [0,0,1,0,0,1|2,0,0]=4 865 B17R2.163534 CCCN(CC)c1nccc2c1cccc2 27a_100000226822_100011934041 [0,0,1,0,0,1|2,0,0]=4 866 B17R2.163534 CCCN(CC)c1ncnc2c1cccc2 27a_100000226822_100000217608 [0,0,1,0,0,1|2,0,0]=4 867 B17R2.163534 CCN(CCO)c1cnnc2c1cccc2 27a_100000210973_100000063506 [0,0,1,0,0,1|2,0,0]=4 868 B17R2.163534 CCN(CCO)c1nccc2c1cccc2 27a_100000210973_100011934041 [0,0,1,0,0,1|2,0,0]=4 869 B17R2.163534 CCN(CCO)c1ncnc2c1cccc2 27a_100000210973_100000217608 [0,0,1,0,0,1|2,0,0]=4 870 B17R3.1917 c1ccc2nc(ccc2c1)N3CCCC3 27a_100000188435_100011291633 [0,0,0,0,1,1|2,0,0]=4 871 B17R3.1917 c1ccc2nc(cnc2c1)N3CCCC3 27a_100000188435_100000756483 [0,0,0,0,1,1|2,0,0]=4 872 B17R3.1917 c1ccc2nc(ncc2c1)N3CCCC3 27a_100000188435_100000097389 [0,0,0,0,1,1|1,0,0]=3 873 B17R3.1917 c1ccc2nc(ncc2c1)N3CCSC3 27a_100011215254_100000097389 [0,0,0,0,1,1|2,0,0]=4 874 B17R3.1917 c1cnc2nc(ncc2c1)N3CCCC3 27a_100000188435_100009875485 [0,0,0,0,1,1|2,0,0]=4 875 B17R3.2679 c1cc2c(ncnc2cn1)N3CCCC3 27a_100000188435_100000098430 [0,0,0,0,1,1|2,0,0]=4 876 B17R3.2679 c1cc2ccnc(c2cn1)N3CCCC3 27a_100000188435_100000116921 [0,0,0,0,1,1|2,0,0]=4 877 B17R3.2679 c1ccc2c(ccnc2c1)N3CCCC3 27a_100000188435_100011215880 [0,0,0,0,1,1|2,0,0]=4 878 B17R3.2679 c1ccc2c(cnnc2c1)N3CCCC3 27a_100000188435_100000063506 [0,0,0,0,1,1|1,0,0]=3 879 B17R3.2679 c1ccc2c(cnnc2c1)N3CCSC3 27a_100011215254_100000063506 [0,0,0,0,1,1|2,0,0]=4 880 B17R3.2679 c1ccc2c(nccc2c1)N3CCCC3 27a_100000188435_100011934041 [0,0,0,0,1,1|1,0,0]=3 881 B17R3.2679 c1ccc2c(nccc2c1)N3CCSC3 27a_100011215254_100011934041 [0,0,0,0,1,1|2,0,0]=4 882 B17R3.2679 c1ccc2c(ncnc2c1)N3CCCC3 27a_100000188435_100000217608 [0,0,0,0,1,1|1,0,0]=3 883 B17R3.2679 c1ccc2c(ncnc2c1)N3CCSC3 27a_100011215254_100000217608 [0,0,0,0,1,1|2,0,0]=4 884 B17R3.2679 c1cnc2c(nccc2c1)N3CCCC3 27a_100000188435_100010063729 [0,0,0,0,1,1|2,0,0]=4 885 B17R3.2679 c1cnc2c(ncnc2c1)N3CCCC3 27a_100000188435_100000063688 [0,0,0,0,1,1|2,0,0]=4 886 B17R3.2679 c1cnc2ccnc(c2c1)N3CCCC3 27a_100000188435_100000077681 [0,0,0,0,1,1|2,0,0]=4 887 B17R3.2679 c1cnc2cncc(c2c1)N3CCCC3 27a_100000188435_100010211308 [0,0,0,0,1,1|2,0,0]=4 888 B17R3.2679 c1cnc2ncnc(c2c1)N3CCCC3 27a_100000188435_100000026734 [0,0,0,0,1,1|2,0,0]=4 889 B19R3.324605 c1ccc2nc(ncc2c1)N3CCCCCC3 27a_100000185865_100000097389 [0,0,0,0,0,2|2,0,0]=4 890 B19R3.324605 c1ccc2nc(ncc2c1)N3CCCOCC3 27a_100000685342_100000097389 [0,0,0,0,0,2|2,0,0]=4 891 B19R3.324611 c1ccc2c(cnnc2c1)N3CCCCCC3 27a_100000185865_100000063506 [0,0,0,0,0,2|2,0,0]=4 892 B19R3.324611 c1ccc2c(cnnc2c1)N3CCCOCC3 27a_100000685342_100000063506 [0,0,0,0,0,2|2,0,0]=4 893 B19R3.324611 c1ccc2c(nccc2c1)N3CCCCCC3 27a_100000185865_100011934041 [0,0,0,0,0,2|2,0,0]=4 894 B19R3.324611 c1ccc2c(nccc2c1)N3CCCOCC3 27a_100000685342_100011934041 [0,0,0,0,0,2|2,0,0]=4 895 B19R3.324611 c1ccc2c(ncnc2c1)N3CCCCCC3 27a_100000185865_100000217608 [0,0,0,0,0,2|2,0,0]=4 896 B19R3.324611 c1ccc2c(ncnc2c1)N3CCCOCC3 27a_100000685342_100000217608 [0,0,0,0,0,2|2,0,0]=4 897 B19R3.324613 c1ccc2c(csc2c1)CN3CCCCCC3 2230a_100000185865_200000742921 [0,0,0,0,0,2|2,0,0]=4 898 B19R3.324613 c1ccc2c(csc2c1)CN3CCCCCC3 269982a_100000185865_200000742921 [0,0,0,0,0,2|2,0,0]=4 899 B19R3.324613 c1ccc2c(csc2c1)CN3CCCCCC3 270004a_100000185865_100000239721 [0,0,0,0,0,2|2,0,0]=4 900 B19R3.324613 c1ccc2c(csc2c1)CN3CCCCCC3 34a_100000185865_200000742921 [0,0,0,0,0,2|2,0,0]=4 901 B19R3.324613 c1ccc2c(csc2c1)CN3CCCOCC3 2230a_100000685342_200000742921 [0,0,0,0,0,2|2,0,0]=4 902 B19R3.324613 c1ccc2c(csc2c1)CN3CCCOCC3 269982a_100000685342_200000742921 [0,0,0,0,0,2|2,0,0]=4 903 B19R3.324613 c1ccc2c(csc2c1)CN3CCCOCC3 270004a_100000685342_100000239721 [0,0,0,0,0,2|2,0,0]=4 904 B19R3.324613 c1ccc2c(csc2c1)CN3CCCOCC3 34a_100000685342_200000742921 [0,0,0,0,0,2|2,0,0]=4 905 B19R3.324613 c1ccc2c(n[nH]c2c1)CN3CCCCCC3 270004a_100000185865_100000059708 [0,0,0,0,0,2|2,0,0]=4 906 B19R3.324613 c1ccc2c(n[nH]c2c1)CN3CCCOCC3 270004a_100000685342_100000059708 [0,0,0,0,0,2|2,0,0]=4 907 B19R3.324613 c1ccc2c(noc2c1)CN3CCCCCC3 34a_100000185865_100009813815 [0,0,0,0,0,2|1,1,0]=4 908 B19R3.324613 c1ccc2c(noc2c1)CN3CCCOCC3 34a_100000685342_100009813815 [0,0,0,0,0,2|1,1,0]=4 909 B19R3.28 c1ccc2c(cncc2c1)CN3CCOCC3 270004a_100015191051_100000684730 [0,0,0,0,0,2|2,0,0]=4 910 B19R3.28 c1ccc2c(cncc2c1)CN3CCSCC3 270004a_100000737611_100000684730 [0,0,0,0,0,2|2,0,0]=4 911 B19R3.28 c1ccc2c(nccc2c1)CN3CCOCC3 2230a_100015191051_100000033776 [0,0,0,0,0,2|2,0,0]=4 912 B19R3.28 c1ccc2c(nccc2c1)CN3CCOCC3 270004a_100015191051_100011361464 [0,0,0,0,0,2|2,0,0]=4 913 B19R3.28 c1ccc2c(nccc2c1)CN3CCOCC3 34a_100015191051_100000033776 [0,0,0,0,0,2|2,0,0]=4 914 B19R3.28 c1ccc2c(nccc2c1)CN3CCSCC3 2230a_100000737611_100000033776 [0,0,0,0,0,2|2,0,0]=4 915 B19R3.28 c1ccc2c(nccc2c1)CN3CCSCC3 270004a_100000737611_100011361464 [0,0,0,0,0,2|2,0,0]=4 916 B19R3.2370 c1ccc2c(csc2c1)CNC3CCNCC3 270004a_100000744611_100015192401 [0,0,0,0,0,2|2,0,0]=4 917 B19R3.19215 c1ccc2cc(ncc2c1)CN3CCOCC3 2230a_100015191051_100009869231 [0,0,0,0,0,2|2,0,0]=4 918 B19R3.19215 c1ccc2cc(ncc2c1)CN3CCOCC3 269982a_100015191051_100009869231 [0,0,0,0,0,2|2,0,0]=4 919 B19R3.19215 c1ccc2cc(ncc2c1)CN3CCOCC3 270004a_100015191051_100000059776 [0,0,0,0,0,2|2,0,0]=4 920 B19R3.19215 c1ccc2cc(ncc2c1)CN3CCOCC3 34a_100015191051_100009869231 [0,0,0,0,0,2|2,0,0]=4 921 B19R3.19215 c1ccc2cc(ncc2c1)CN3CCSCC3 2230a_100000737611_100009869231 [0,0,0,0,0,2|2,0,0]=4 922 B19R3.19215 c1ccc2cc(ncc2c1)CN3CCSCC3 269982a_100000737611_100009869231 [0,0,0,0,0,2|2,0,0]=4 923 B19R3.19215 c1ccc2cc(ncc2c1)CN3CCSCC3 270004a_100000737611_100000059776 [0,0,0,0,0,2|2,0,0]=4 924 B19R3.19215 c1ccc2nc(ncc2c1)CN3CCOCC3 34a_100015191051_100009868571 [0,0,0,0,0,2|2,0,0]=4