0 B16R2.685 C=CC(Sc1ccco1)c2ccccc2 62a_100009814098_200000085779 [0,0,0,0,0,0|2,0,1]=3 1 B16R2.685 C=CC(Sc1ccco1)c2ccccc2 62a_200000085779_100009814098 [0,0,0,0,0,0|2,0,1]=3 2 B16R2.685 C=CC(Sc1cccs1)c2ccccc2 62a_100011215356_200000085779 [0,0,0,0,0,0|2,1,1]=4 3 B16R2.685 C=CC(Sc1cccs1)c2ccccc2 62a_200000085779_100011215356 [0,0,0,0,0,0|2,1,1]=4 4 B16R2.685 C=CC(Sc1cnco1)c2ccccc2 62a_100020591547_200000085779 [0,0,0,0,0,0|3,0,1]=4 5 B16R2.685 C=CC(Sc1cnco1)c2ccccc2 62a_200000085779_100020591547 [0,0,0,0,0,0|3,0,1]=4 6 B16R2.685 C=CC(Sc1ncco1)c2ccccc2 62a_100011787736_200000085779 [0,0,0,0,0,0|3,0,1]=4 7 B16R2.685 C=CC(Sc1ncco1)c2ccccc2 62a_200000085779_100011787736 [0,0,0,0,0,0|3,0,1]=4 8 B16R2.685 CCN(Cc1ccco1)c2ccccc2 2230a_100000230375_100000210202 [0,0,0,0,0,0|2,0,2]=4 9 B16R2.685 CCN(Cc1ccco1)c2ccccc2 269982a_100000230375_100000204670 [0,0,0,0,0,0|2,0,2]=4 10 B16R2.685 CCN(Cc1ccco1)c2ccccc2 34a_100000230375_100000210202 [0,0,0,0,0,0|2,0,2]=4 11 B16R2.685 FCN(Cc1ccco1)c2ccccc2 269982a_100000230375_100015361967 [0,0,0,0,0,0|2,0,2]=4 12 B16R2.685 FCN(Cc1ccco1)c2ccccc2 34a_100000230375_100015361967 [0,0,0,0,0,0|2,0,2]=4 13 B15R2.1259 CC(Cc1ccco1)c2ccccc2 271570a_100000062452_100009814098 [1,0,0,0,0,0|0,0,3]=4 14 B15R2.1259 CC(Sc1ccco1)c2ccccc2 62a_100000230085_100009814098 [1,0,0,0,0,0|1,0,2]=4 15 B15R2.1259 CC(Sc1ccco1)c2ccccc2 62a_100009814098_100000230085 [1,0,0,0,0,0|1,0,2]=4 16 B15R2.1259 CN(Cc1ccco1)c2ccccc2 2230a_100000230375_200000210301 [1,0,0,0,0,0|1,0,2]=4 17 B15R2.1259 CN(Cc1ccco1)c2ccccc2 269982a_100000230375_200000210301 [1,0,0,0,0,0|1,0,2]=4 18 B15R2.1259 CN(Cc1ccco1)c2ccccc2 34a_100000230375_200000210301 [1,0,0,0,0,0|1,0,2]=4 19 B15R2.1259 O=C(Cc1c[nH]cn1)c2ccccc2 1458a_100000185807_100000707719 [1,0,0,0,0,0|2,0,1]=4 20 B15R2.1259 O=C(Cc1ccn[nH]1)c2ccccc2 1458a_100000185807_100000728653 [1,0,0,0,0,0|2,0,1]=4 21 B15R2.1259 O=C(Cc1ccon1)c2ccccc2 1458a_100000185807_100000234950 [1,0,0,0,0,0|2,0,1]=4 22 B15R2.1259 O=C(Cc1ccsc1)c2ccccc2 1458a_100000185807_100011233845 [1,0,0,0,0,0|2,0,1]=4 23 B15R2.1259 O=C(Cc1cncs1)c2ccccc2 1458a_100000185807_100015185245 [1,0,0,0,0,0|1,1,1]=4 24 B15R2.1259 O=C(Cc1cscn1)c2ccccc2 1458a_100000185807_100000205941 [1,0,0,0,0,0|2,0,1]=4 25 B15R2.1259 O=C(Cc1ncco1)c2ccccc2 1458a_100000185807_103436540062 [1,0,0,0,0,0|1,0,1]=3 26 B15R2.1259 O=C(Cc1nccs1)c2ccccc2 1458a_100000185807_100015184050 [1,0,0,0,0,0|1,1,1]=4 27 B15R2.1259 [13CH3]N(Cc1ccco1)c2ccccc2 2230a_100000230375_200025704644 [1,0,0,0,0,0|1,0,2]=4 28 B15R2.1259 [13CH3]N(Cc1ccco1)c2ccccc2 269982a_100000230375_200025704644 [1,0,0,0,0,0|1,0,2]=4 29 B15R2.1259 [13CH3]N(Cc1ccco1)c2ccccc2 34a_100000230375_200025704644 [1,0,0,0,0,0|1,0,2]=4 30 B17R2.2192 C=CCN(Cc1ccco1)c2ccccc2 2230a_100000230375_100000210623 [0,1,0,0,0,0|2,0,1]=4 31 B17R2.2192 C=CCN(Cc1ccco1)c2ccccc2 269982a_100000230375_100000210623 [0,1,0,0,0,0|2,0,1]=4 32 B17R2.2192 C=CCN(Cc1ccco1)c2ccccc2 34a_100000230375_100015514636 [0,1,0,0,0,0|2,0,1]=4 33 B17R2.2192 O=CCN(Cc1ccco1)c2ccccc2 2230a_100000230375_200015260668 [0,1,0,0,0,0|1,0,1]=3 34 B17R2.2192 O=CCN(Cc1ccco1)c2ccccc2 269982a_100000230375_200015260668 [0,1,0,0,0,0|1,0,1]=3 35 B17R2.2192 O=CCN(Cc1ccco1)c2ccccc2 34a_100000230375_200009817547 [0,1,0,0,0,0|1,0,1]=3 36 B17R2.21294 CC(=O)/C(=C/c1ccco1)/c2ccccc2 1458a_200015346919_200000210301 [0,1,0,0,0,0|0,0,0]=1 37 B17R2.21294 CC(=O)C(Sc1ccco1)c2ccccc2 62a_100009814098_100009888967 [0,1,0,0,0,0|1,0,1]=3 38 B17R2.21294 CC(=O)C(Sc1ccco1)c2ccccc2 62a_100009888967_100009814098 [0,1,0,0,0,0|1,0,1]=3 39 B17R2.21294 CC(=O)C(Sc1cccs1)c2ccccc2 62a_100009888967_100011215356 [0,1,0,0,0,0|1,1,1]=4 40 B17R2.21294 CC(=O)C(Sc1cccs1)c2ccccc2 62a_100011215356_100009888967 [0,1,0,0,0,0|1,1,1]=4 41 B17R2.21294 CC(=O)C(Sc1cnco1)c2ccccc2 62a_100009888967_100020591547 [0,1,0,0,0,0|2,0,1]=4 42 B17R2.21294 CC(=O)C(Sc1cnco1)c2ccccc2 62a_100020591547_100009888967 [0,1,0,0,0,0|2,0,1]=4 43 B17R2.21294 CC(=O)C(Sc1ncco1)c2ccccc2 62a_100009888967_100011787736 [0,1,0,0,0,0|2,0,1]=4 44 B17R2.21294 CC(=O)C(Sc1ncco1)c2ccccc2 62a_100011787736_100009888967 [0,1,0,0,0,0|2,0,1]=4 45 B17R2.21294 CC(=O)N(Cc1ccco1)c2ccccc2 11a_100000230375_100015343762 [0,1,0,0,0,0|1,0,1]=3 46 B17R2.21294 CC(=O)N(Cc1ccco1)c2ccccc2 1626a_100000230375_100015343762 [0,1,0,0,0,0|1,0,1]=3 47 B17R2.21294 CC(=O)N(Cc1ccco1)c2ccccc2 22a_100000230375_100000070787 [0,1,0,0,0,0|1,0,1]=3 48 B17R2.21294 NC(=O)C(Sc1ccco1)c2ccccc2 62a_100000188848_100009814098 [0,1,0,0,0,0|1,0,1]=3 49 B17R2.21294 NC(=O)C(Sc1ccco1)c2ccccc2 62a_100009814098_100000188848 [0,1,0,0,0,0|1,0,1]=3 50 B17R2.21294 NC(=O)C(Sc1cccs1)c2ccccc2 62a_100000188848_100011215356 [0,1,0,0,0,0|1,1,1]=4 51 B17R2.21294 NC(=O)C(Sc1cccs1)c2ccccc2 62a_100011215356_100000188848 [0,1,0,0,0,0|1,1,1]=4 52 B17R2.21294 NC(=O)C(Sc1cnco1)c2ccccc2 62a_100000188848_100020591547 [0,1,0,0,0,0|2,0,1]=4 53 B17R2.21294 NC(=O)C(Sc1cnco1)c2ccccc2 62a_100020591547_100000188848 [0,1,0,0,0,0|2,0,1]=4 54 B17R2.21294 NC(=O)C(Sc1ncco1)c2ccccc2 62a_100000188848_100011787736 [0,1,0,0,0,0|2,0,1]=4 55 B17R2.21294 NC(=O)C(Sc1ncco1)c2ccccc2 62a_100011787736_100000188848 [0,1,0,0,0,0|2,0,1]=4 56 B17R2.21294 [13CH3]C(=O)/C(=C/c1ccco1)/c2ccccc2 1458a_200015346919_200025704644 [0,1,0,0,0,0|0,0,0]=1 57 B17R3.1941 C1=Cc2cc(ccc2C1)c3ccccc3 271570a_100011218836_100009814306 [0,0,0,1,0,0|2,0,1]=4 58 B17R3.1941 C1=Cc2ccc(cc2C1)c3ccccc3 271570a_100011218836_200009818231 [0,0,0,1,0,0|2,0,0]=3 59 B17R3.1941 C1=Cc2ccc(cc2C1)c3ccccn3 271570a_100011264011_200009818231 [0,0,0,1,0,0|3,0,0]=4 60 B17R3.1941 C1=Cc2ccc(cc2C1)c3cccnc3 271570a_100000757648_200009818231 [0,0,0,1,0,0|3,0,0]=4 61 B17R3.1941 C1=Cc2ccc(cc2C1)c3ccncc3 271570a_100000752145_200009818231 [0,0,0,1,0,0|3,0,0]=4 62 B17R3.1941 c1cc(ccn1)c2ccc3cc[nH]c3c2 271570a_100000752145_100000743809 [0,0,0,1,0,0|3,0,0]=4 63 B17R3.1941 c1cc(ccn1)c2ccc3cc[nH]c3c2 271570a_100010177849_100000035832 [0,0,0,1,0,0|3,0,0]=4 64 B17R3.1941 c1cc(ccn1)c2ccc3ccoc3c2 271570a_100000752145_100000759542 [0,0,0,1,0,0|2,0,0]=3 65 B17R3.1941 c1cc(ccn1)c2ccc3ccoc3c2 271570a_100010238505_100000035832 [0,0,0,1,0,0|2,0,0]=3 66 B17R3.1941 c1cc(ccn1)c2ccc3ccsc3c2 271570a_100000752145_100009888917 [0,0,0,1,0,0|2,1,0]=4 67 B17R3.1941 c1cc(ccn1)c2ccc3cnoc3c2 271570a_100000752145_100009817722 [0,0,0,1,0,0|3,0,0]=4 68 B17R3.1941 c1cc(ccn1)c2ccc3ncoc3c2 271570a_100000752145_100009817590 [0,0,0,1,0,0|3,0,0]=4 69 B17R3.1941 c1cc(ccn1)c2ccc3ncoc3c2 271570a_100010171804_100000035832 [0,0,0,1,0,0|3,0,0]=4 70 B17R3.1941 c1cc(ccn1)c2cnc3cc[nH]c3c2 271570a_100000752145_100009818992 [0,0,0,1,0,0|3,0,0]=4 71 B17R3.1941 c1cc(ccn1)c2cnc3cc[nH]c3c2 271570a_100009864229_100000035832 [0,0,0,1,0,0|3,0,0]=4 72 B17R3.1941 c1cc(ccn1)c2cnc3ncoc3c2 271570a_100000752145_100000721906 [0,0,0,1,0,0|3,0,0]=4 73 B17R3.1941 c1cc(cnn1)c2ccc3ccoc3c2 271570a_100010238505_100000732662 [0,0,0,1,0,0|3,0,0]=4 74 B17R3.1941 c1cc(ncn1)c2ccc3ccoc3c2 271570a_100010238505_100000703185 [0,0,0,1,0,0|3,0,0]=4 75 B17R3.1941 c1ccc(cc1)c2cc3[nH]ccc3cn2 271570a_100011218836_100000089685 [0,0,0,1,0,0|3,0,0]=4 76 B17R3.1941 c1ccc(cc1)c2cc3sccc3cn2 271570a_100011218836_200016184645 [0,0,0,1,0,0|2,1,0]=4 77 B17R3.1941 c1ccc(cc1)c2ccc3[nH]ccc3c2 271570a_100000037161_100000210277 [0,0,0,1,0,0|3,0,0]=4 78 B17R3.1941 c1ccc(cc1)c2ccc3[nH]ccc3c2 271570a_100011218836_100000211741 [0,0,0,1,0,0|3,0,0]=4 79 B17R3.1941 c1ccc(cc1)c2ccc3[nH]cnc3c2 271570a_100000070245_100000210277 [0,0,0,1,0,0|3,0,0]=4 80 B17R3.1941 c1ccc(cc1)c2ccc3[nH]cnc3c2 271570a_100011218836_100011265325 [0,0,0,1,0,0|3,0,0]=4 81 B17R3.1941 c1ccc(cc1)c2ccc3c(c2)OCC3 271570a_100010232071_100000210277 [0,0,0,1,0,0|1,0,2]=4 82 B17R3.1941 c1ccc(cc1)c2ccc3c(c2)OCC3 271570a_100011218836_100009818566 [0,0,0,1,0,0|1,0,2]=4 83 B17R3.1941 c1ccc(cc1)c2ccc3c(c2)OCO3 271570a_100011218836_100000688060 [0,0,0,1,0,0|2,0,1]=4 84 B17R3.1941 c1ccc(cc1)c2ccc3c(c2)OCO3 271570a_100011934442_100000210277 [0,0,0,1,0,0|2,0,1]=4 85 B17R3.1941 c1ccc(cc1)c2ccc3cc[nH]c3c2 271570a_100010177849_100000210277 [0,0,0,1,0,0|2,0,0]=3 86 B17R3.1941 c1ccc(cc1)c2ccc3cc[nH]c3c2 271570a_100011218836_100000743809 [0,0,0,1,0,0|2,0,0]=3 87 B17R3.1941 c1ccc(cc1)c2ccc3cc[nH]c3n2 271570a_100011218836_100009814870 [0,0,0,1,0,0|3,0,0]=4 88 B17R3.1941 c1ccc(cc1)c2ccc3ccnn3c2 271570a_100011218836_100009820231 [0,0,0,1,0,0|3,0,0]=4 89 B17R3.1941 c1ccc(cc1)c2ccc3ccoc3c2 271570a_100010238505_100000210277 [0,0,0,1,0,0|1,0,0]=2 90 B17R3.1941 c1ccc(cc1)c2ccc3ccoc3c2 271570a_100011218836_100000759542 [0,0,0,1,0,0|1,0,0]=2 91 B17R3.1941 c1ccc(cc1)c2ccc3ccsc3c2 271570a_100011218836_100009888917 [0,0,0,1,0,0|1,1,0]=3 92 B17R3.1941 c1ccc(cc1)c2ccc3cn[nH]c3c2 271570a_100000068816_100000210277 [0,0,0,1,0,0|3,0,0]=4 93 B17R3.1941 c1ccc(cc1)c2ccc3cn[nH]c3c2 271570a_100011218836_100000049514 [0,0,0,1,0,0|3,0,0]=4 94 B17R3.1941 c1ccc(cc1)c2ccc3cnoc3c2 271570a_100011218836_100009817722 [0,0,0,1,0,0|2,0,0]=3 95 B17R3.1941 c1ccc(cc1)c2ccc3cscc3c2 271570a_100011218836_200010760811 [0,0,0,1,0,0|3,0,0]=4 96 B17R3.1941 c1ccc(cc1)c2ccc3csnc3c2 271570a_100011218836_100010170880 [0,0,0,1,0,0|3,0,0]=4 97 B17R3.1941 c1ccc(cc1)c2ccc3ncoc3c2 271570a_100010171804_100000210277 [0,0,0,1,0,0|2,0,0]=3 98 B17R3.1941 c1ccc(cc1)c2ccc3ncoc3c2 271570a_100011218836_100009817590 [0,0,0,1,0,0|2,0,0]=3 99 B17R3.1941 c1ccc(cc1)c2ccc3ncsc3c2 271570a_100009888910_100000210277 [0,0,0,1,0,0|2,1,0]=4 100 B17R3.1941 c1ccc(cc1)c2ccc3ncsc3c2 271570a_100011218836_100009816678 [0,0,0,1,0,0|2,1,0]=4 101 B17R3.1941 c1ccc(cc1)c2ccc3occc3c2 271570a_100000038753_100000210277 [0,0,0,1,0,0|3,0,0]=4 102 B17R3.1941 c1ccc(cc1)c2ccc3occc3c2 271570a_100011218836_100012343831 [0,0,0,1,0,0|3,0,0]=4 103 B17R3.1941 c1ccc(cc1)c2ccc3ocnc3c2 271570a_100010171803_100000210277 [0,0,0,1,0,0|3,0,0]=4 104 B17R3.1941 c1ccc(cc1)c2ccc3ocnc3c2 271570a_100011218836_100009816175 [0,0,0,1,0,0|3,0,0]=4 105 B17R3.1941 c1ccc(cc1)c2ccc3sccc3c2 271570a_100010162525_100000210277 [0,0,0,1,0,0|3,0,0]=4 106 B17R3.1941 c1ccc(cc1)c2ccc3sccc3c2 271570a_100011218836_100009814439 [0,0,0,1,0,0|3,0,0]=4 107 B17R3.1941 c1ccc(cc1)c2ccc3scnc3c2 271570a_100010204129_100000210277 [0,0,0,1,0,0|3,0,0]=4 108 B17R3.1941 c1ccc(cc1)c2ccc3scnc3c2 271570a_100011218836_100010005895 [0,0,0,1,0,0|3,0,0]=4 109 B17R3.1941 c1ccc(cc1)c2ccn3ccnc3c2 271570a_100010171067_100000210277 [0,0,0,1,0,0|3,0,0]=4 110 B17R3.1941 c1ccc(cc1)c2ccn3ccnc3c2 271570a_100011218836_100009816855 [0,0,0,1,0,0|3,0,0]=4 111 B17R3.1941 c1ccc(cc1)c2ccn3nccc3c2 271570a_100011218836_100000763084 [0,0,0,1,0,0|3,0,0]=4 112 B17R3.1941 c1ccc(cc1)c2cnc3[nH]ccc3c2 271570a_100000047005_100000210277 [0,0,0,1,0,0|3,0,0]=4 113 B17R3.1941 c1ccc(cc1)c2cnc3[nH]ccc3c2 271570a_100011218836_100000760471 [0,0,0,1,0,0|3,0,0]=4 114 B17R3.1941 c1ccc(cc1)c2cnc3c(c2)OCO3 271570a_100016230889_100000210277 [0,0,0,1,0,0|2,0,1]=4 115 B17R3.1941 c1ccc(cc1)c2cnc3cc[nH]c3c2 271570a_100009864229_100000210277 [0,0,0,1,0,0|2,0,0]=3 116 B17R3.1941 c1ccc(cc1)c2cnc3cc[nH]c3c2 271570a_100011218836_100009818992 [0,0,0,1,0,0|2,0,0]=3 117 B17R3.1941 c1ccc(cc1)c2cnc3ccnn3c2 271570a_100010113450_100000210277 [0,0,0,1,0,0|3,0,0]=4 118 B17R3.1941 c1ccc(cc1)c2cnc3ccnn3c2 271570a_100011218836_100011349234 [0,0,0,1,0,0|3,0,0]=4 119 B17R3.1941 c1ccc(cc1)c2cnc3cn[nH]c3c2 271570a_100011218836_100009844038 [0,0,0,1,0,0|3,0,0]=4 120 B17R3.1941 c1ccc(cc1)c2cnc3nc[nH]c3c2 271570a_100011218836_100000760087 [0,0,0,1,0,0|3,0,0]=4 121 B17R3.1941 c1ccc(cc1)c2cnc3ncoc3c2 271570a_100011218836_100000721906 [0,0,0,1,0,0|2,0,0]=3 122 B17R3.1941 c1ccc(cc1)c2cnc3sccc3c2 271570a_100010168199_100000210277 [0,0,0,1,0,0|3,0,0]=4 123 B17R3.1941 c1ccc(cc1)c2cnc3sccc3c2 271570a_100011218836_100010135160 [0,0,0,1,0,0|3,0,0]=4 124 B17R3.1941 c1ccc(cc1)c2cnc3scnc3c2 271570a_100011218836_100010178689 [0,0,0,1,0,0|3,0,0]=4 125 B17R3.1941 c1ccc(nc1)c2ccc3cc[nH]c3c2 271570a_100010177849_100011216584 [0,0,0,1,0,0|3,0,0]=4 126 B17R3.1941 c1ccc(nc1)c2ccc3cc[nH]c3c2 271570a_100011264011_100000743809 [0,0,0,1,0,0|3,0,0]=4 127 B17R3.1941 c1ccc(nc1)c2ccc3ccoc3c2 271570a_100010238505_100011216584 [0,0,0,1,0,0|2,0,0]=3 128 B17R3.1941 c1ccc(nc1)c2ccc3ccoc3c2 271570a_100011264011_100000759542 [0,0,0,1,0,0|2,0,0]=3 129 B17R3.1941 c1ccc(nc1)c2ccc3ccsc3c2 271570a_100011264011_100009888917 [0,0,0,1,0,0|2,1,0]=4 130 B17R3.1941 c1ccc(nc1)c2ccc3cnoc3c2 271570a_100011264011_100009817722 [0,0,0,1,0,0|3,0,0]=4 131 B17R3.1941 c1ccc(nc1)c2ccc3ncoc3c2 271570a_100010171804_100011216584 [0,0,0,1,0,0|3,0,0]=4 132 B17R3.1941 c1ccc(nc1)c2ccc3ncoc3c2 271570a_100011264011_100009817590 [0,0,0,1,0,0|3,0,0]=4 133 B17R3.1941 c1ccc(nc1)c2cnc3cc[nH]c3c2 271570a_100009864229_100011216584 [0,0,0,1,0,0|3,0,0]=4 134 B17R3.1941 c1ccc(nc1)c2cnc3cc[nH]c3c2 271570a_100011264011_100009818992 [0,0,0,1,0,0|3,0,0]=4 135 B17R3.1941 c1ccc(nc1)c2cnc3ncoc3c2 271570a_100011264011_100000721906 [0,0,0,1,0,0|3,0,0]=4 136 B17R3.1941 c1cnc(cn1)c2ccc3ccoc3c2 271570a_100010238505_100000758340 [0,0,0,1,0,0|3,0,0]=4 137 B17R3.1941 c1cnc(cn1)c2ccc3ccoc3c2 271570a_100011962566_100000759542 [0,0,0,1,0,0|3,0,0]=4 138 B17R3.1941 c1cnc(nc1)c2ccc3ccoc3c2 271570a_100010238505_100000211032 [0,0,0,1,0,0|3,0,0]=4 139 B17R3.1941 c1cncc(c1)c2ccc3cc[nH]c3c2 271570a_100000757648_100000743809 [0,0,0,1,0,0|3,0,0]=4 140 B17R3.1941 c1cncc(c1)c2ccc3cc[nH]c3c2 271570a_100010177849_100000752921 [0,0,0,1,0,0|3,0,0]=4 141 B17R3.1941 c1cncc(c1)c2ccc3ccoc3c2 271570a_100000757648_100000759542 [0,0,0,1,0,0|2,0,0]=3 142 B17R3.1941 c1cncc(c1)c2ccc3ccoc3c2 271570a_100010238505_100000752921 [0,0,0,1,0,0|2,0,0]=3 143 B17R3.1941 c1cncc(c1)c2ccc3ccsc3c2 271570a_100000757648_100009888917 [0,0,0,1,0,0|2,1,0]=4 144 B17R3.1941 c1cncc(c1)c2ccc3cnoc3c2 271570a_100000757648_100009817722 [0,0,0,1,0,0|3,0,0]=4 145 B17R3.1941 c1cncc(c1)c2ccc3ncoc3c2 271570a_100000757648_100009817590 [0,0,0,1,0,0|3,0,0]=4 146 B17R3.1941 c1cncc(c1)c2ccc3ncoc3c2 271570a_100010171804_100000752921 [0,0,0,1,0,0|3,0,0]=4 147 B17R3.1941 c1cncc(c1)c2cnc3cc[nH]c3c2 271570a_100000757648_100009818992 [0,0,0,1,0,0|3,0,0]=4 148 B17R3.1941 c1cncc(c1)c2cnc3cc[nH]c3c2 271570a_100009864229_100000752921 [0,0,0,1,0,0|3,0,0]=4 149 B17R3.1941 c1cncc(c1)c2cnc3ncoc3c2 271570a_100000757648_100000721906 [0,0,0,1,0,0|3,0,0]=4 150 B17R3.1941 c1cnnc(c1)c2ccc3ccoc3c2 271570a_100010238505_100016991348 [0,0,0,1,0,0|3,0,0]=4 151 B17R3.1941 c1ncc(cn1)c2ccc3ccoc3c2 271570a_100000707473_100000759542 [0,0,0,1,0,0|3,0,0]=4 152 B17R3.1941 c1ncc(cn1)c2ccc3ccoc3c2 271570a_100010238505_100011206942 [0,0,0,1,0,0|3,0,0]=4 153 B17R3.2681 c1ccc2c(coc2c1)Sc3cnco3 62a_100020591547_100009812202 [0,0,0,1,0,0|2,0,1]=4 154 B17R3.2681 c1ccc2c(coc2c1)Sc3ncco3 62a_100011787736_100009812202 [0,0,0,1,0,0|2,0,1]=4 155 B17R3.2681 c1ccc2c(csc2c1)Sc3cnco3 62a_100020591547_100009813928 [0,0,0,1,0,0|2,1,0]=4 156 B17R3.2681 c1ccc2c(csc2c1)Sc3ncco3 62a_100011787736_100009813928 [0,0,0,1,0,0|2,1,0]=4 157 B17R3.2681 c1coc(c1)Sc2c[nH]c3c2cccn3 62a_100009814098_100011934613 [0,0,0,1,0,0|3,0,0]=4 158 B17R3.2681 c1coc(c1)Sc2c[nH]c3c2ccnc3 62a_100009814098_100010232032 [0,0,0,1,0,0|3,0,0]=4 159 B17R3.2681 c1coc(c1)Sc2c[nH]c3c2cncc3 62a_100009814098_100000753697 [0,0,0,1,0,0|3,0,0]=4 160 B17R3.2681 c1coc(c1)Sc2c[nH]c3c2nccc3 62a_100009814098_100009817151 [0,0,0,1,0,0|3,0,0]=4 161 B17R3.2681 c1coc(c1)Sc2cnc3n2cccc3 62a_100009814098_100011219245 [0,0,0,1,0,0|3,0,0]=4 162 B17R3.2681 c1coc(c1)Sc2cnn3c2cccc3 62a_100009814098_100009817726 [0,0,0,1,0,0|3,0,0]=4 163 B17R3.2681 c1coc(c1)Sc2coc3c2cccc3 62a_100009814098_100009812202 [0,0,0,1,0,0|1,0,1]=3 164 B17R3.2681 c1coc(c1)Sc2coc3c2nccc3 62a_100009814098_100009889148 [0,0,0,1,0,0|2,0,1]=4 165 B17R3.2681 c1coc(c1)Sc2csc3c2cccc3 62a_100009814098_100009813928 [0,0,0,1,0,0|1,1,0]=3 166 B17R3.2681 c1coc(c1)Sc2csc3c2cccn3 62a_100009814098_100009830249 [0,0,0,1,0,0|2,1,0]=4 167 B17R3.2681 c1coc(c1)Sc2csc3c2cccn3 62a_100009830249_100009814098 [0,0,0,1,0,0|2,1,0]=4 168 B17R3.2681 c1coc(c1)Sc2csc3c2ccnc3 62a_100009814098_100009817111 [0,0,0,1,0,0|2,1,0]=4 169 B17R3.2681 c1coc(c1)Sc2csc3c2ccnc3 62a_100009817111_100009814098 [0,0,0,1,0,0|2,1,0]=4 170 B17R3.2681 c1coc(c1)Sc2csc3c2cncc3 62a_100009814098_100010247091 [0,0,0,1,0,0|2,1,0]=4 171 B17R3.2681 c1coc(c1)Sc2csc3c2cncc3 62a_100010247091_100009814098 [0,0,0,1,0,0|2,1,0]=4 172 B17R3.2681 c1coc(c1)Sc2csc3c2nccc3 62a_100009814098_100010247092 [0,0,0,1,0,0|2,1,0]=4 173 B17R3.2681 c1coc(c1)Sc2n[nH]c3c2cccc3 62a_100009814098_100000050141 [0,0,0,1,0,0|3,0,0]=4 174 B17R3.2681 c1coc(c1)Sc2noc3c2cccc3 62a_100009814098_200000703156 [0,0,0,1,0,0|2,0,1]=4 175 B17R3.2681 c1coc(c1)Sc2noc3c2cccc3 62a_200000703156_100009814098 [0,0,0,1,0,0|2,0,1]=4 176 B17R3.2681 c1csc(c1)Sc2coc3c2cccc3 62a_100011215356_100009812202 [0,0,0,1,0,0|1,1,1]=4 177 B17R3.2681 c1csc(c1)Sc2csc3c2cccc3 62a_100011215356_100009813928 [0,0,0,1,0,0|1,2,0]=4 178 B17R3.85849 C=Cc1cc2onnc2c3c1cccc3 271570a_100011290941_100121572884 [0,0,0,1,0,0|3,0,0]=4 179 B15R2.131 CNC(c1ccccc1)c2ccco2 2230a_100015185865_200000210301 [0,0,0,0,1,0|2,0,1]=4 180 B15R2.131 CNC(c1ccccc1)c2ccco2 34a_100015185865_200000210301 [0,0,0,0,1,0|2,0,1]=4 181 B15R2.131 [13CH3]NC(c1ccccc1)c2ccco2 2230a_100015185865_200025704644 [0,0,0,0,1,0|2,0,1]=4 182 B15R2.131 [13CH3]NC(c1ccccc1)c2ccco2 34a_100015185865_200025704644 [0,0,0,0,1,0|2,0,1]=4 183 B17R2.17880 C=CC(NCc1ccco1)c2ccccc2 2230a_100000185738_200000085779 [0,0,0,0,0,1|1,0,2]=4 184 B14R1.29 C=COC(=O)CC(=O)c1ccccc1 1458a_100000185807_100000036128 [1,0,1,0,0,0|1,0,1]=4 185 B14R2.101 C(#Cc1ccco1)c2ccccc2 271570a_100000069678_100009814098 [2,0,0,0,0,0|0,0,2]=4 186 B14R2.101 C(=Cc1c[nH]cn1)c2ccccc2 271570a_100102527694_100000756875 [2,0,0,0,0,0|2,0,0]=4 187 B14R2.101 C(=Cc1cc[nH]n1)c2ccccc2 271570a_100102527694_100000062575 [2,0,0,0,0,0|2,0,0]=4 188 B14R2.101 C(=Cc1ccco1)c2ccccc2 271570a_100102527694_100009814098 [2,0,0,0,0,0|0,0,0]=2 189 B14R2.101 C(=Cc1ccco1)c2cccnc2 271570a_100102525586_100009814098 [2,0,0,0,0,0|1,0,0]=3 190 B14R2.101 C(=Cc1cccs1)c2ccccc2 271570a_100102527694_100011215356 [2,0,0,0,0,0|0,1,0]=3 191 B14R2.101 C(=Cc1cccs1)c2cccnc2 271570a_100102525586_100011215356 [2,0,0,0,0,0|1,1,0]=4 192 B14R2.101 C(=Cc1ccoc1)c2ccccc2 271570a_100102527694_100011215275 [2,0,0,0,0,0|2,0,0]=4 193 B14R2.101 C(=Cc1ccsc1)c2ccccc2 271570a_100102527694_100000738268 [2,0,0,0,0,0|2,0,0]=4 194 B14R2.101 C(=Cc1ccsn1)c2ccccc2 271570a_100102527694_100009818082 [2,0,0,0,0,0|2,0,0]=4 195 B14R2.101 C(=Cc1cnco1)c2ccccc2 271570a_100102527694_100020591547 [2,0,0,0,0,0|1,0,0]=3 196 B14R2.101 C(=Cc1cnco1)c2cccnc2 271570a_100102525586_100020591547 [2,0,0,0,0,0|2,0,0]=4 197 B14R2.101 C(=Cc1cncs1)c2ccccc2 271570a_100102527694_100011934649 [2,0,0,0,0,0|1,1,0]=4 198 B14R2.101 C(=Cc1cscn1)c2ccccc2 271570a_100102527694_100000751502 [2,0,0,0,0,0|2,0,0]=4 199 B14R2.101 C(=Cc1ncc[nH]1)c2ccccc2 271570a_100102527694_100025796157 [2,0,0,0,0,0|2,0,0]=4 200 B14R2.101 C(=Cc1ncco1)c2ccccc2 271570a_100102527694_100011787736 [2,0,0,0,0,0|1,0,0]=3 201 B14R2.101 C(=Cc1ncco1)c2cccnc2 271570a_100102525586_100011787736 [2,0,0,0,0,0|2,0,0]=4 202 B14R2.101 C(=Cc1nccs1)c2ccccc2 271570a_100102527694_100000211983 [2,0,0,0,0,0|1,1,0]=4 203 B14R2.101 c1ccc(cc1)CSc2ccco2 62a_100000211182_100009814098 [2,0,0,0,0,0|1,0,1]=4 204 B14R2.101 c1ccc(cc1)CSc2ccco2 62a_100009814098_100015291786 [2,0,0,0,0,0|1,0,1]=4 205 B14R2.101 c1ccc(cc1)NCc2ccco2 207a_100000106764_100000186105 [2,0,0,0,0,0|1,0,1]=4 206 B14R2.101 c1ccc(cc1)NCc2ccco2 270302a_100000106764_100000186105 [2,0,0,0,0,0|1,0,1]=4 207 B16R2.125 Cc1ccc(cc1)C(=O)Cc2ncco2 1458a_100000188618_103436540062 [1,1,0,0,0,0|1,0,1]=4 208 B16R2.125 O=C(Cc1ncco1)c2ccc(cc2)Br 1458a_100000185839_103436540062 [1,1,0,0,0,0|1,0,1]=4 209 B16R2.125 O=C(Cc1ncco1)c2ccc(cc2)Cl 1458a_100000210187_103436540062 [1,1,0,0,0,0|1,0,1]=4 210 B16R2.125 O=C(Cc1ncco1)c2ccc(cc2)F 1458a_100000187176_103436540062 [1,1,0,0,0,0|1,0,1]=4 211 B16R2.125 O=C(Cc1ncco1)c2ccc(cc2)I 1458a_100000187904_103436540062 [1,1,0,0,0,0|1,0,1]=4 212 B16R2.125 O=C(Cc1ncco1)c2ccc(cc2)O 1458a_100000212099_103436540062 [1,1,0,0,0,0|1,0,1]=4 213 B16R2.243 Cc1cccc(c1)C(=O)Cc2ncco2 1458a_100000189346_103436540062 [1,1,0,0,0,0|1,0,1]=4 214 B16R2.243 O=C(Cc1ncco1)c2cccc(c2)Br 1458a_100000210664_103436540062 [1,1,0,0,0,0|1,0,1]=4 215 B16R2.243 O=C(Cc1ncco1)c2cccc(c2)Cl 1458a_100000210390_103436540062 [1,1,0,0,0,0|1,0,1]=4 216 B16R2.243 O=C(Cc1ncco1)c2cccc(c2)F 1458a_100000210950_103436540062 [1,1,0,0,0,0|1,0,1]=4 217 B16R2.243 O=C(Cc1ncco1)c2cccc(c2)I 1458a_100000184098_103436540062 [1,1,0,0,0,0|1,0,1]=4 218 B16R2.243 O=C(Cc1ncco1)c2cccc(c2)O 1458a_100000183914_103436540062 [1,1,0,0,0,0|1,0,1]=4 219 B16R2.2829 Cc1cc(on1)CC(=O)c2ccccc2 1458a_100000185807_100000707947 [1,1,0,0,0,0|1,0,1]=4 220 B16R2.2829 O=C(Cc1cc(cs1)Br)c2ccccc2 1458a_100000185807_100000746031 [1,1,0,0,0,0|0,1,1]=4 221 B16R2.2829 O=C(Cc1cc(no1)Br)c2ccccc2 1458a_100000185807_100000709089 [1,1,0,0,0,0|1,0,1]=4 222 B16R2.2829 O=C(Cc1ccc(s1)Br)c2ccccc2 1458a_100000185807_100000708592 [1,1,0,0,0,0|0,1,1]=4 223 B16R2.2829 O=C(Cc1ccc(s1)Cl)c2ccccc2 1458a_100000185807_100000185097 [1,1,0,0,0,0|0,1,1]=4 224 B16R2.2965 Cc1ccccc1C(=O)Cc2ncco2 1458a_100000212026_103436540062 [1,1,0,0,0,0|1,0,1]=4 225 B16R2.2965 O=C(Cc1ncco1)c2ccccc2Br 1458a_100000188424_103436540062 [1,1,0,0,0,0|1,0,1]=4 226 B16R2.2965 O=C(Cc1ncco1)c2ccccc2Cl 1458a_100000185844_103436540062 [1,1,0,0,0,0|1,0,1]=4 227 B16R2.2965 O=C(Cc1ncco1)c2ccccc2F 1458a_100000188656_103436540062 [1,1,0,0,0,0|1,0,1]=4 228 B16R2.2965 O=C(Cc1ncco1)c2ccccc2I 1458a_100000187884_103436540062 [1,1,0,0,0,0|1,0,1]=4 229 B16R2.2965 O=C(Cc1ncco1)c2ccccc2O 1458a_100015234032_103436540062 [1,1,0,0,0,0|1,0,1]=4 230 B16R2.2965 O=C(Cc1ncco1)c2ccccc2[O-] 1458a_100009911694_103436540062 [1,1,0,0,0,0|1,0,1]=4 231 B18R2.4111 CC(=O)/C(=C/c1ccccc1)/c2ccccc2 1458a_100020600812_200000210301 [0,1,0,0,0,1|1,0,0]=3 232 B18R2.4111 [13CH3]C(=O)/C(=C/c1ccccc1)/c2ccccc2 1458a_100020600812_200025704644 [0,1,0,0,0,1|1,0,0]=3 233 B18R2.2114 O=CCN(Cc1ccccc1)Cc2ccco2 2230a_100000184096_200015260668 [0,1,0,0,0,1|1,0,1]=4 234 B18R2.2114 O=CCN(Cc1ccccc1)Cc2ccco2 269982a_100000184096_200015260668 [0,1,0,0,0,1|1,0,1]=4 235 B18R2.7832 N#CC(=Cc1cc(co1)Br)Cc2ccccc2 6a_100000747035_100000212256 [0,1,0,0,0,1|1,0,1]=4 236 B18R2.7832 N#CC(=Cc1ccc(o1)I)Cc2ccccc2 6a_100000186757_100000212256 [0,1,0,0,0,1|1,0,1]=4 237 B18R2.33880 CC(=O)N(Cc1ccccc1)Cc2ccco2 11a_100000184096_100015343762 [0,1,0,0,0,1|1,0,1]=4 238 B18R2.33880 CC(=O)N(Cc1ccccc1)Cc2ccco2 1626a_100000184096_100015343762 [0,1,0,0,0,1|1,0,1]=4 239 B18R2.33880 CC(=O)N(Cc1ccccc1)Cc2ccco2 240690a_100000184096_100015343762 [0,1,0,0,0,1|1,0,1]=4 240 B18R2.33880 CC(=O)N(Cc1ccccc1)Cc2ccco2 527a_100000184096_100103153847 [0,1,0,0,0,1|1,0,1]=4 241 B18R2.12689 CC(=O)C(NCc1ccco1)c2ccccc2 2230a_100000185738_100009888967 [0,1,0,0,0,1|0,0,2]=4 242 B18R2.12689 NC(=O)C(NCc1ccco1)c2ccccc2 2230a_100000185738_100000188848 [0,1,0,0,0,1|0,0,2]=4 243 B18R2.12689 NC(=O)[C@H](NCc1ccco1)c2ccccc2 207a_100011423151_100000186105 [0,1,0,0,0,1|0,0,2]=4 244 B18R2.12689 NC(=O)[C@H](NCc1ccco1)c2ccccc2 270004a_100011423151_100000186105 [0,1,0,0,0,1|0,0,2]=4 245 B18R2.201 Cc1ccc(cc1)C(=Cc2cc(co2)Br)C#N 6a_100000747035_100000739140 [0,2,0,0,0,0|1,0,1]=4 246 B18R2.201 Cc1ccc(cc1)C(=Cc2ccc(o2)I)C#N 6a_100000186757_100000739140 [0,2,0,0,0,0|1,0,1]=4 247 B18R2.201 N#CC(=Cc1cc(co1)Br)c2ccc(cc2)Br 6a_100000747035_100000185875 [0,2,0,0,0,0|1,0,1]=4 248 B18R2.201 N#CC(=Cc1cc(co1)Br)c2ccc(cc2)Cl 6a_100000747035_100000188685 [0,2,0,0,0,0|1,0,1]=4 249 B18R2.201 N#CC(=Cc1cc(co1)Br)c2ccc(cc2)F 6a_100000747035_100000198600 [0,2,0,0,0,0|1,0,1]=4 250 B18R2.201 N#CC(=Cc1cc(co1)Br)c2ccc(cc2)I 6a_100000747035_100011217881 [0,2,0,0,0,0|1,0,1]=4 251 B18R2.201 N#CC(=Cc1cc(co1)Br)c2ccc(cc2)N 6a_100000747035_100000198999 [0,2,0,0,0,0|1,0,1]=4 252 B18R2.201 N#CC(=Cc1cc(co1)Br)c2ccc(cc2)O 6a_100000747035_100000198970 [0,2,0,0,0,0|1,0,1]=4 253 B18R2.201 N#CC(=Cc1ccc(o1)I)c2ccc(cc2)Br 6a_100000186757_100000185875 [0,2,0,0,0,0|1,0,1]=4 254 B18R2.201 N#CC(=Cc1ccc(o1)I)c2ccc(cc2)Cl 6a_100000186757_100000188685 [0,2,0,0,0,0|1,0,1]=4 255 B18R2.201 N#CC(=Cc1ccc(o1)I)c2ccc(cc2)F 6a_100000186757_100000198600 [0,2,0,0,0,0|1,0,1]=4 256 B18R2.201 N#CC(=Cc1ccc(o1)I)c2ccc(cc2)I 6a_100000186757_100011217881 [0,2,0,0,0,0|1,0,1]=4 257 B18R2.201 N#CC(=Cc1ccc(o1)I)c2ccc(cc2)N 6a_100000186757_100000198999 [0,2,0,0,0,0|1,0,1]=4 258 B18R2.201 N#CC(=Cc1ccc(o1)I)c2ccc(cc2)O 6a_100000186757_100000198970 [0,2,0,0,0,0|1,0,1]=4 259 B18R2.360 Cc1ccc(cc1)N(CC=O)Cc2ccco2 2230a_100000198071_200015260668 [0,2,0,0,0,0|1,0,1]=4 260 B18R2.360 Cc1ccc(cc1)N(CC=O)Cc2ccco2 269982a_100000198071_200015260668 [0,2,0,0,0,0|1,0,1]=4 261 B18R2.360 Cc1ccc(cc1)N(CC=O)Cc2ccco2 34a_100000198071_200009817547 [0,2,0,0,0,0|1,0,1]=4 262 B18R2.360 O=CCN(Cc1ccco1)c2ccc(cc2)Cl 2230a_100000189056_200015260668 [0,2,0,0,0,0|1,0,1]=4 263 B18R2.360 O=CCN(Cc1ccco1)c2ccc(cc2)Cl 269982a_100000189056_200015260668 [0,2,0,0,0,0|1,0,1]=4 264 B18R2.360 O=CCN(Cc1ccco1)c2ccc(cc2)Cl 34a_100000189056_200009817547 [0,2,0,0,0,0|1,0,1]=4 265 B18R2.360 O=CCN(Cc1ccco1)c2ccc(cc2)F 2230a_100000739240_200015260668 [0,2,0,0,0,0|1,0,1]=4 266 B18R2.360 O=CCN(Cc1ccco1)c2ccc(cc2)F 269982a_100000739240_200015260668 [0,2,0,0,0,0|1,0,1]=4 267 B18R2.360 O=CCN(Cc1ccco1)c2ccc(cc2)F 34a_100000739240_200009817547 [0,2,0,0,0,0|1,0,1]=4 268 B18R2.92911 CC(=O)N(Cc1ccco1)c2ccc(cc2)C 11a_100000198071_100015343762 [0,2,0,0,0,0|1,0,1]=4 269 B18R2.92911 CC(=O)N(Cc1ccco1)c2ccc(cc2)C 1626a_100000198071_100015343762 [0,2,0,0,0,0|1,0,1]=4 270 B18R2.92911 CC(=O)N(Cc1ccco1)c2ccc(cc2)C 22a_100000198071_100000070787 [0,2,0,0,0,0|1,0,1]=4 271 B18R2.92911 CC(=O)N(Cc1ccco1)c2ccc(cc2)Cl 11a_100000189056_100015343762 [0,2,0,0,0,0|1,0,1]=4 272 B18R2.92911 CC(=O)N(Cc1ccco1)c2ccc(cc2)Cl 1626a_100000189056_100015343762 [0,2,0,0,0,0|1,0,1]=4 273 B18R2.92911 CC(=O)N(Cc1ccco1)c2ccc(cc2)F 11a_100000739240_100015343762 [0,2,0,0,0,0|1,0,1]=4 274 B18R2.92911 CC(=O)N(Cc1ccco1)c2ccc(cc2)F 1626a_100000739240_100015343762 [0,2,0,0,0,0|1,0,1]=4 275 B18R2.92911 CC(=O)N(Cc1ccco1)c2ccc(cc2)F 22a_100000739240_100000070787 [0,2,0,0,0,0|1,0,1]=4 276 B18R2.2106 O=CCN(Cc1ccco1)c2cccc(c2)Cl 2230a_100011231625_200015260668 [0,2,0,0,0,0|1,0,1]=4 277 B18R2.2106 O=CCN(Cc1ccco1)c2cccc(c2)Cl 269982a_100011231625_200015260668 [0,2,0,0,0,0|1,0,1]=4 278 B18R2.2106 O=CCN(Cc1ccco1)c2cccc(c2)Cl 34a_100011231625_200009817547 [0,2,0,0,0,0|1,0,1]=4 279 B18R2.2106 O=CCN(Cc1ccco1)c2cccc(c2)F 2230a_100011231644_200015260668 [0,2,0,0,0,0|1,0,1]=4 280 B18R2.2106 O=CCN(Cc1ccco1)c2cccc(c2)F 269982a_100011231644_200015260668 [0,2,0,0,0,0|1,0,1]=4 281 B18R2.2106 O=CCN(Cc1ccco1)c2cccc(c2)F 34a_100011231644_200009817547 [0,2,0,0,0,0|1,0,1]=4 282 B18R2.12686 NC(=O)CN(Cc1ccco1)c2ccccc2 2230a_100000230375_100000747473 [0,2,0,0,0,0|1,0,1]=4 283 B18R2.12686 NC(=O)CN(Cc1ccco1)c2ccccc2 269982a_100000230375_100000187820 [0,2,0,0,0,0|1,0,1]=4 284 B18R2.12686 NC(=O)CN(Cc1ccco1)c2ccccc2 34a_100000230375_100000187820 [0,2,0,0,0,0|1,0,1]=4 285 B18R2.12686 O=C([O-])CN(Cc1ccco1)c2ccccc2 269982a_100000230375_100020667443 [0,2,0,0,0,0|1,0,1]=4 286 B18R2.12686 O=C([O-])CN(Cc1ccco1)c2ccccc2 34a_100000230375_100020667443 [0,2,0,0,0,0|1,0,1]=4 287 B18R2.21284 C=CC(=O)N(Cc1ccco1)c2ccccc2 1626a_100000230375_100000185746 [0,2,0,0,0,0|1,0,1]=4 288 B18R2.21284 C=CC(=O)N(Cc1ccco1)c2ccccc2 22a_100000230375_100000185746 [0,2,0,0,0,0|1,0,1]=4 289 B18R2.21284 CCC(=O)/C(=C/c1ccco1)/c2ccccc2 1458a_200015346919_100000210202 [0,2,0,0,0,0|0,0,0]=2 290 B18R2.21284 CCC(=O)N(Cc1ccco1)c2ccccc2 11a_100000230375_100000210414 [0,2,0,0,0,0|1,0,1]=4 291 B18R2.21284 CCC(=O)N(Cc1ccco1)c2ccccc2 1626a_100000230375_100000210414 [0,2,0,0,0,0|1,0,1]=4 292 B18R2.21284 CCC(=O)N(Cc1ccco1)c2ccccc2 22a_100000230375_100000210414 [0,2,0,0,0,0|1,0,1]=4 293 B18R2.21284 COC(=O)C(Sc1ccco1)c2ccccc2 62a_100000754950_100009814098 [0,2,0,0,0,0|1,0,1]=4 294 B18R2.21284 COC(=O)C(Sc1ccco1)c2ccccc2 62a_100009814098_100000754950 [0,2,0,0,0,0|1,0,1]=4 295 B18R2.21284 O=C(CF)/C(=C/c1ccco1)/c2ccccc2 1458a_200015346919_100015361967 [0,2,0,0,0,0|0,0,0]=2 296 B18R2.21284 O=C(CO)N(Cc1ccco1)c2ccccc2 22a_100000230375_100000210174 [0,2,0,0,0,0|1,0,1]=4 297 B18R2.7798 Cc1cccc(c1)C(=Cc2cc(co2)Br)C#N 6a_100000747035_100011206897 [0,2,0,0,0,0|1,0,1]=4 298 B18R2.7798 Cc1cccc(c1)C(=Cc2ccc(o2)I)C#N 6a_100000186757_100011206897 [0,2,0,0,0,0|1,0,1]=4 299 B18R2.7798 N#CC(=Cc1cc(co1)Br)c2cccc(c2)Br 6a_100000747035_100000739425 [0,2,0,0,0,0|1,0,1]=4 300 B18R2.7798 N#CC(=Cc1cc(co1)Br)c2cccc(c2)Cl 6a_100000747035_100000185102 [0,2,0,0,0,0|1,0,1]=4 301 B18R2.7798 N#CC(=Cc1cc(co1)Br)c2cccc(c2)F 6a_100000747035_100000211109 [0,2,0,0,0,0|1,0,1]=4 302 B18R2.7798 N#CC(=Cc1cc(co1)Br)c2cccc(c2)I 6a_100000747035_100000034040 [0,2,0,0,0,0|1,0,1]=4 303 B18R2.7798 N#CC(=Cc1cc(co1)Br)c2cccc(c2)N 6a_100000747035_100000017804 [0,2,0,0,0,0|1,0,1]=4 304 B18R2.7798 N#CC(=Cc1cc(co1)Br)c2cccc(c2)O 6a_100000747035_100000696680 [0,2,0,0,0,0|1,0,1]=4 305 B18R2.7798 N#CC(=Cc1ccc(o1)I)c2cccc(c2)Br 6a_100000186757_100000739425 [0,2,0,0,0,0|1,0,1]=4 306 B18R2.7798 N#CC(=Cc1ccc(o1)I)c2cccc(c2)Cl 6a_100000186757_100000185102 [0,2,0,0,0,0|1,0,1]=4 307 B18R2.7798 N#CC(=Cc1ccc(o1)I)c2cccc(c2)F 6a_100000186757_100000211109 [0,2,0,0,0,0|1,0,1]=4 308 B18R2.7798 N#CC(=Cc1ccc(o1)I)c2cccc(c2)I 6a_100000186757_100000034040 [0,2,0,0,0,0|1,0,1]=4 309 B18R2.7798 N#CC(=Cc1ccc(o1)I)c2cccc(c2)N 6a_100000186757_100000017804 [0,2,0,0,0,0|1,0,1]=4 310 B18R2.7798 N#CC(=Cc1ccc(o1)I)c2cccc(c2)O 6a_100000186757_100000696680 [0,2,0,0,0,0|1,0,1]=4 311 B18R2.78425 Cc1ccccc1C(=Cc2cc(co2)Br)C#N 6a_100000747035_100000185101 [0,2,0,0,0,0|1,0,1]=4 312 B18R2.78425 Cc1ccccc1C(=Cc2ccc(o2)I)C#N 6a_100000186757_100000185101 [0,2,0,0,0,0|1,0,1]=4 313 B18R2.78425 N#CC(=Cc1cc(co1)Br)c2ccccc2Br 6a_100000747035_100011207960 [0,2,0,0,0,0|1,0,1]=4 314 B18R2.78425 N#CC(=Cc1cc(co1)Br)c2ccccc2Cl 6a_100000747035_100000183744 [0,2,0,0,0,0|1,0,1]=4 315 B18R2.78425 N#CC(=Cc1cc(co1)Br)c2ccccc2F 6a_100000747035_100000210937 [0,2,0,0,0,0|1,0,1]=4 316 B18R2.78425 N#CC(=Cc1cc(co1)Br)c2ccccc2I 6a_100000747035_100000033512 [0,2,0,0,0,0|1,0,1]=4 317 B18R2.78425 N#CC(=Cc1ccc(o1)I)c2ccccc2Br 6a_100000186757_100011207960 [0,2,0,0,0,0|1,0,1]=4 318 B18R2.78425 N#CC(=Cc1ccc(o1)I)c2ccccc2Cl 6a_100000186757_100000183744 [0,2,0,0,0,0|1,0,1]=4 319 B18R2.78425 N#CC(=Cc1ccc(o1)I)c2ccccc2F 6a_100000186757_100000210937 [0,2,0,0,0,0|1,0,1]=4 320 B18R2.78425 N#CC(=Cc1ccc(o1)I)c2ccccc2I 6a_100000186757_100000033512 [0,2,0,0,0,0|1,0,1]=4 321 B18R2.31166 CC(=O)N(Cc1ccco1)c2cccc(c2)Cl 11a_100011231625_100015343762 [0,2,0,0,0,0|1,0,1]=4 322 B18R2.31166 CC(=O)N(Cc1ccco1)c2cccc(c2)Cl 1626a_100011231625_100015343762 [0,2,0,0,0,0|1,0,1]=4 323 B18R2.31166 CC(=O)N(Cc1ccco1)c2cccc(c2)F 11a_100011231644_100015343762 [0,2,0,0,0,0|1,0,1]=4 324 B18R2.31166 CC(=O)N(Cc1ccco1)c2cccc(c2)F 1626a_100011231644_100015343762 [0,2,0,0,0,0|1,0,1]=4 325 B16R2.7 Br/C=C/c1ccc(cc1)c2ccccc2 271570a_100011218836_200016255901 [0,0,1,1,0,0|2,0,0]=4 326 B16R2.7 C/C=C/c1ccc(cc1)c2ccccc2 271570a_100011218836_100016259036 [0,0,1,1,0,0|2,0,0]=4 327 B16R2.7 CC=Cc1ccc(cc1)c2ccccc2 271570a_100016259895_100000185799 [0,0,1,1,0,0|2,0,0]=4 328 B16R2.7 CC=Cc1ccc(cn1)c2ccccc2 271570a_100016259895_100000073102 [0,0,1,1,0,0|2,0,0]=4 329 B16R2.7 ON=Cc1ccc(cc1)c2ccccc2 271570a_200015191382_100000210277 [0,0,1,1,0,0|2,0,0]=4 330 B16R2.24 C=Cc1cccc(c1O)c2ccccc2 271570a_100011290941_200034179028 [0,0,1,1,0,0|1,0,1]=4 331 B16R2.24 Cc1c(cccc1c2ccccc2)C=O 271570a_100011218836_100012179384 [0,0,1,1,0,0|1,0,1]=4 332 B16R2.24 Cc1c(cccc1c2ccccc2)CO 271570a_100011218836_100000694458 [0,0,1,1,0,0|1,0,1]=4 333 B16R2.24 Nc1c(cccc1c2ccccc2)C=O 271570a_100011218836_100010144990 [0,0,1,1,0,0|1,0,1]=4 334 B16R2.24 Nc1c(cccc1c2ccccc2)CO 271570a_100011218836_100012349457 [0,0,1,1,0,0|1,0,1]=4 335 B16R2.24 O=Cc1cccc(c1F)c2ccccc2 271570a_100010090736_100000210277 [0,0,1,1,0,0|1,0,1]=4 336 B16R2.24 O=Cc1cccc(c1F)c2ccccc2 271570a_100011218836_100000766533 [0,0,1,1,0,0|1,0,1]=4 337 B16R2.24 O=Cc1cccc(c1O)c2ccccc2 271570a_100011218836_100000737635 [0,0,1,1,0,0|0,0,2]=4 338 B16R2.24 OCc1cccc(c1Br)c2ccccc2 271570a_100011218836_100010240205 [0,0,1,1,0,0|1,0,1]=4 339 B16R2.24 OCc1cccc(c1Cl)c2ccccc2 271570a_100010042584_100000210277 [0,0,1,1,0,0|1,0,1]=4 340 B16R2.24 OCc1cccc(c1F)c2ccccc2 271570a_100009857139_100000210277 [0,0,1,1,0,0|1,0,1]=4 341 B16R2.24 OCc1cccc(c1F)c2ccccc2 271570a_100011218836_100011935076 [0,0,1,1,0,0|1,0,1]=4 342 B16R2.119700 C=C=Cc1ccc(c2c1cccc2)C=O 271570a_100015277604_100012359940 [0,0,1,1,0,0|1,0,1]=4 343 B16R2.119700 CC=Cc1ccc(c2c1cccc2)C=O 271570a_100016259895_100012359940 [0,0,1,1,0,0|1,0,0]=3 344 B16R2.119700 CC=Cc1ccc(c2c1cccn2)C=O 271570a_100016259895_100000694311 [0,0,1,1,0,0|2,0,0]=4 345 B16R2.9360 Cc1ccc(c(c1c2ccco2)C=O)F 271570a_100000750936_100000033498 [0,0,1,1,0,0|1,0,1]=4 346 B16R2.9360 O=Cc1c(ccc(c1c2ccco2)F)F 271570a_100000750936_100000034233 [0,0,1,1,0,0|2,0,0]=4 347 B16R2.9360 O=Cc1c(ccc(c1c2ccco2)F)O 271570a_100000750936_100010762561 [0,0,1,1,0,0|2,0,0]=4 348 B16R2.9360 O=Cc1c(ccc(c1c2ccco2)O)O 271570a_100000750936_100010184888 [0,0,1,1,0,0|2,0,0]=4 349 B16R2.1957 C=Cc1cccc(c1F)Sc2ccco2 62a_100009814098_100010741937 [0,0,1,1,0,0|2,0,0]=4 350 B16R2.1957 C=Cc1cccc(c1F)Sc2ccco2 62a_100010741937_100009814098 [0,0,1,1,0,0|2,0,0]=4 351 B16R2.37063 N#Cc1cccc(c1c2ccco2)C=O 271570a_100000750936_100010133059 [0,0,1,1,0,0|1,0,1]=4 352 B16R2.94 C=CCc1cccc(c1)c2ccccc2 271570a_100011218836_100009816576 [0,0,1,1,0,0|2,0,0]=4 353 B16R2.2279 C=Cc1ccc(cc1Br)c2ccccc2 271570a_100011290941_100016115252 [0,0,1,1,0,0|2,0,0]=4 354 B16R2.2279 C=Cc1ccc(cc1C)c2ccccc2 271570a_100011290941_100009992443 [0,0,1,1,0,0|2,0,0]=4 355 B16R2.2279 O=Cc1ccc(cc1O)c2ccccc2 271570a_100010081633_100000210277 [0,0,1,1,0,0|2,0,0]=4 356 B16R2.2279 O=Cc1ccc(cc1O)c2ccccc2 271570a_100011218836_100011277552 [0,0,1,1,0,0|2,0,0]=4 357 B16R2.6164 Cc1cc(cc(c1C)c2ccccc2)O 271570a_100011218836_100010068915 [0,0,1,1,0,0|1,0,1]=4 358 B16R2.1955 COc1cccc(c1C=O)c2ccco2 271570a_100000750936_100009814803 [0,0,1,1,0,0|1,0,1]=4 359 B16R2.1955 COc1cccc(c1C=O)c2ccco2 271570a_200000077415_100009814098 [0,0,1,1,0,0|1,0,1]=4 360 B16R2.27 C=Cc1ccc(c(c1)c2ccccc2)O 271570a_100011290941_100000728419 [0,0,1,1,0,0|1,0,1]=4 361 B16R2.27 COc1ccc(c(c1)c2ccccc2)Br 271570a_100011218836_100009992028 [0,0,1,1,0,0|1,0,1]=4 362 B16R2.27 COc1ccc(c(c1)c2ccccc2)C 271570a_100011218836_100012349166 [0,0,1,1,0,0|1,0,1]=4 363 B16R2.27 COc1ccc(c(c1)c2ccccc2)C 271570a_100011996904_100000210277 [0,0,1,1,0,0|1,0,1]=4 364 B16R2.27 COc1ccc(c(c1)c2ccccc2)Cl 271570a_100011218836_100011356938 [0,0,1,1,0,0|1,0,1]=4 365 B16R2.27 COc1ccc(c(c1)c2ccccc2)Cl 271570a_100011356759_100000210277 [0,0,1,1,0,0|1,0,1]=4 366 B16R2.27 COc1ccc(c(c1)c2ccccc2)F 271570a_100011218836_100000699733 [0,0,1,1,0,0|1,0,1]=4 367 B16R2.27 COc1ccc(c(c1)c2ccccc2)F 271570a_100011356801_100000210277 [0,0,1,1,0,0|1,0,1]=4 368 B16R2.27 COc1ccc(c(c1)c2ccccc2)I 271570a_100010977408_100000210277 [0,0,1,1,0,0|1,0,1]=4 369 B16R2.27 COc1ccc(c(c1)c2ccccc2)N 271570a_100010713012_100000210277 [0,0,1,1,0,0|1,0,1]=4 370 B16R2.27 COc1ccc(c(c1)c2ccccc2)N 271570a_100011218836_100015195136 [0,0,1,1,0,0|1,0,1]=4 371 B16R2.27 COc1ccc(c(c1)c2ccccc2)O 271570a_100011218836_100000685887 [0,0,1,1,0,0|0,0,2]=4 372 B16R3.5988 c1ccc(cc1)c2cc3sccc3s2 271570a_100010775590_100000210277 [1,0,0,1,0,0|0,2,0]=4 373 B16R3.5988 c1ccc(cc1)c2cc3sccc3s2 271570a_100011218836_200010191111 [1,0,0,1,0,0|0,2,0]=4 374 B16R3.8 c1ccc2c(c[nH]c2c1)c3cnco3 271570a_100012356747_100020591547 [0,0,0,1,1,0|2,0,0]=4 375 B16R3.8 c1ccc2c(c[nH]c2c1)c3ncco3 271570a_100012356747_100011787736 [0,0,0,1,1,0|2,0,0]=4 376 B16R3.8 c1ccc2c(coc2c1)c3cnco3 271570a_100000084643_100020591547 [0,0,0,1,1,0|1,0,1]=4 377 B16R3.8 c1ccc2c(coc2c1)c3ncco3 271570a_100000084643_100011787736 [0,0,0,1,1,0|1,0,1]=4 378 B16R3.8 c1ccc2c(csc2c1)c3cnco3 271570a_100000038073_100020591547 [0,0,0,1,1,0|1,1,0]=4 379 B16R3.8 c1ccc2c(csc2c1)c3ncco3 271570a_100000038073_100011787736 [0,0,0,1,1,0|1,1,0]=4 380 B16R3.8 c1coc(c1)c2c[nH]c3c2cccc3 271570a_100012356747_100009814098 [0,0,0,1,1,0|1,0,0]=3 381 B16R3.8 c1coc(c1)c2c[nH]c3c2cccn3 271570a_100000695875_100009814098 [0,0,0,1,1,0|2,0,0]=4 382 B16R3.8 c1coc(c1)c2c[nH]c3c2cccn3 271570a_100000750936_100011934613 [0,0,0,1,1,0|2,0,0]=4 383 B16R3.8 c1coc(c1)c2c[nH]c3c2ccnc3 271570a_100000750936_100010232032 [0,0,0,1,1,0|2,0,0]=4 384 B16R3.8 c1coc(c1)c2c[nH]c3c2cncc3 271570a_100000750936_100011934843 [0,0,0,1,1,0|2,0,0]=4 385 B16R3.8 c1coc(c1)c2c[nH]c3c2nccc3 271570a_100000750936_100009817151 [0,0,0,1,1,0|2,0,0]=4 386 B16R3.8 c1coc(c1)c2cnc3n2cccc3 271570a_100000750936_100011219245 [0,0,0,1,1,0|2,0,0]=4 387 B16R3.8 c1coc(c1)c2cnn3c2cccc3 271570a_100000750936_100009817726 [0,0,0,1,1,0|2,0,0]=4 388 B16R3.8 c1coc(c1)c2cnn3c2cccc3 271570a_100010220532_100009814098 [0,0,0,1,1,0|2,0,0]=4 389 B16R3.8 c1coc(c1)c2coc3c2cccc3 271570a_100000084643_100009814098 [0,0,0,1,1,0|0,0,1]=3 390 B16R3.8 c1coc(c1)c2coc3c2cccc3 271570a_100000750936_100009812202 [0,0,0,1,1,0|0,0,1]=3 391 B16R3.8 c1coc(c1)c2coc3c2nccc3 271570a_100000750936_100009889148 [0,0,0,1,1,0|1,0,1]=4 392 B16R3.8 c1coc(c1)c2csc3c2cccc3 271570a_100000038073_100009814098 [0,0,0,1,1,0|0,1,0]=3 393 B16R3.8 c1coc(c1)c2csc3c2cccc3 271570a_100000750936_100009813928 [0,0,0,1,1,0|0,1,0]=3 394 B16R3.8 c1coc(c1)c2csc3c2cccn3 271570a_100000750936_100009830249 [0,0,0,1,1,0|1,1,0]=4 395 B16R3.8 c1coc(c1)c2csc3c2ccnc3 271570a_100000750936_100009817111 [0,0,0,1,1,0|1,1,0]=4 396 B16R3.8 c1coc(c1)c2csc3c2cncc3 271570a_100000750936_100010247091 [0,0,0,1,1,0|1,1,0]=4 397 B16R3.8 c1coc(c1)c2csc3c2nccc3 271570a_100000750936_100010247092 [0,0,0,1,1,0|1,1,0]=4 398 B16R3.8 c1coc(c1)c2n[nH]c3c2cccc3 271570a_100000750936_100000050141 [0,0,0,1,1,0|2,0,0]=4 399 B16R3.8 c1csc(c1)c2c[nH]c3c2cccc3 271570a_100012356747_100011215356 [0,0,0,1,1,0|1,1,0]=4 400 B16R3.8 c1csc(c1)c2coc3c2cccc3 271570a_100000084643_100011215356 [0,0,0,1,1,0|0,1,1]=4 401 B16R3.8 c1csc(c1)c2coc3c2cccc3 271570a_100000742291_100009812202 [0,0,0,1,1,0|0,1,1]=4 402 B16R3.8 c1csc(c1)c2csc3c2cccc3 271570a_100000038073_100011215356 [0,0,0,1,1,0|0,2,0]=4 403 B16R3.8 c1csc(c1)c2csc3c2cccc3 271570a_100000742291_100009813928 [0,0,0,1,1,0|0,2,0]=4 404 B16R3.1795 c1ccc(cc1)c2csc3c2scc3 271570a_100011218836_100009817191 [0,0,0,1,1,0|0,2,0]=4 405 B16R3.1779 c1cc(c[nH]1)c2ccc3ccoc3c2 271570a_100000102155_100000759542 [0,0,0,1,1,0|2,0,0]=4 406 B16R3.1779 c1cc(co1)c2ccc3ccoc3c2 271570a_100010238505_100011215275 [0,0,0,1,1,0|2,0,0]=4 407 B16R3.1779 c1cc(co1)c2ccc3ccoc3c2 271570a_100011218838_100000759542 [0,0,0,1,1,0|2,0,0]=4 408 B16R3.1779 c1cc2ccc(cc2o1)c3ccsc3 271570a_100010238505_100000738268 [0,0,0,1,1,0|2,0,0]=4 409 B16R3.1779 c1cc2ccc(cc2o1)c3ccsc3 271570a_100011934443_100000759542 [0,0,0,1,1,0|2,0,0]=4 410 B16R3.1779 c1coc(c1)c2ccc3ccoc3c2 271570a_100000750936_100000759542 [0,0,0,1,1,0|2,0,0]=4 411 B16R3.1779 c1coc(c1)c2ccc3ccoc3c2 271570a_100010238505_100009814098 [0,0,0,1,1,0|2,0,0]=4 412 B16R3.1779 c1csc(c1)c2ccc3ccoc3c2 271570a_100000742291_100000759542 [0,0,0,1,1,0|2,0,0]=4 413 B16R3.1779 c1csc(c1)c2ccc3ccoc3c2 271570a_100010238505_100011215356 [0,0,0,1,1,0|2,0,0]=4 414 B18R3.2123 c1ccc(cc1)c2ccc3ccccc3c2 271570a_100011218693_100000210277 [0,0,0,1,0,1|2,0,0]=4 415 B18R3.2123 c1ccc(cc1)c2ccc3ccccc3c2 271570a_100011218836_100000233703 [0,0,0,1,0,1|2,0,0]=4 416 B18R3.2123 c1ccc(cc1)c2ccc3cccnc3c2 271570a_100011218836_100009816655 [0,0,0,1,0,1|2,0,0]=4 417 B18R3.2123 c1ccc(cc1)c2ccc3cccnc3c2 271570a_100012353946_100000210277 [0,0,0,1,0,1|2,0,0]=4 418 B18R3.2123 c1ccc(cc1)c2ccc3ccncc3c2 271570a_100000068421_100000210277 [0,0,0,1,0,1|2,0,0]=4 419 B18R3.2123 c1ccc(cc1)c2ccc3ccncc3c2 271570a_100011218836_100000686496 [0,0,0,1,0,1|2,0,0]=4 420 B18R3.2123 c1ccc(cc1)c2ccc3cnccc3c2 271570a_100000070448_100000210277 [0,0,0,1,0,1|2,0,0]=4 421 B18R3.2123 c1ccc(cc1)c2ccc3cnccc3c2 271570a_100011218836_100009816743 [0,0,0,1,0,1|2,0,0]=4 422 B18R3.2123 c1ccc(cc1)c2ccc3cncnc3c2 271570a_100011218836_100010185614 [0,0,0,1,0,1|2,0,0]=4 423 B18R3.2123 c1ccc(cc1)c2ccc3ncccc3c2 271570a_100011218836_100000754243 [0,0,0,1,0,1|2,0,0]=4 424 B18R3.2123 c1ccc(cc1)c2ccc3ncccc3c2 271570a_100012351079_100000210277 [0,0,0,1,0,1|2,0,0]=4 425 B18R3.2123 c1ccc(cc1)c2ccc3nccnc3c2 271570a_100011218836_100011219451 [0,0,0,1,0,1|2,0,0]=4 426 B18R3.2123 c1ccc(cc1)c2ccc3nccnc3c2 271570a_100012359907_100000210277 [0,0,0,1,0,1|2,0,0]=4 427 B18R3.2123 c1ccc(cc1)c2cnc3ccccc3c2 271570a_100011218836_100000737414 [0,0,0,1,0,1|2,0,0]=4 428 B18R3.2123 c1ccc(cc1)c2cnc3ccccc3c2 271570a_100012350238_100000210277 [0,0,0,1,0,1|2,0,0]=4 429 B18R3.2123 c1ccc(cc1)c2cnc3cccnc3c2 271570a_100011218836_100010246316 [0,0,0,1,0,1|2,0,0]=4 430 B18R3.2123 c1ccc(cc1)c2cnc3nccnc3c2 271570a_100011218836_100000753224 [0,0,0,1,0,1|2,0,0]=4 431 B18R3.159486 C=Cc1cc2ccccc2c3c1cccc3 271570a_100011290941_100009813645 [0,0,0,1,0,1|2,0,0]=4 432 B18R3.159486 C=Cc1cc2cccnc2c3c1cccc3 271570a_100011290941_100050056114 [0,0,0,1,0,1|2,0,0]=4 433 B18R3.112 Brc1c(sc2c1cccc2)Sc3ccco3 62a_100009814098_100015504031 [0,0,0,1,0,1|2,0,0]=4 434 B18R3.112 Brc1c(sc2c1cccc2)Sc3ccco3 62a_100015504031_100009814098 [0,0,0,1,0,1|2,0,0]=4 435 B18R3.112 Cc1c(sc2c1cccc2)Sc3ccco3 62a_100009814098_200010198769 [0,0,0,1,0,1|2,0,0]=4 436 B18R3.112 O=C1c2ccccc2CC1Sc3ccco3 62a_100009814098_100011218503 [0,0,0,1,0,1|1,0,1]=4 437 B18R3.112 O=C1c2ccccc2CC1Sc3ccco3 62a_100011218503_100009814098 [0,0,0,1,0,1|1,0,1]=4 438 B18R3.311 O=Cc1nc2ncccn2c1c3ccco3 271570a_100000750936_200009817305 [0,0,0,1,0,1|2,0,0]=4 439 B18R3.311 O=Cc1sc2ccccc2c1c3cc[nH]c3 271570a_100000102155_100009816528 [0,0,0,1,0,1|2,0,0]=4 440 B18R3.311 O=Cc1sc2ccccc2c1c3cc[nH]n3 271570a_100000062414_100009816528 [0,0,0,1,0,1|2,0,0]=4 441 B18R3.311 O=Cc1sc2ccccc2c1c3ccco3 271570a_100000750936_100009816528 [0,0,0,1,0,1|0,0,0]=2 442 B18R3.311 O=Cc1sc2ccccc2c1c3cccs3 271570a_100000742291_100009816528 [0,0,0,1,0,1|0,1,0]=3 443 B18R3.311 O=Cc1sc2ccccc2c1c3ccoc3 271570a_100011218838_100009816528 [0,0,0,1,0,1|2,0,0]=4 444 B18R3.311 O=Cc1sc2ccccc2c1c3ccsc3 271570a_100011934443_100009816528 [0,0,0,1,0,1|2,0,0]=4 445 B18R3.311 O=Cc1sc2ccccc2c1c3cncs3 271570a_100010231675_100009816528 [0,0,0,1,0,1|1,1,0]=4 446 B18R3.311 O=Cc1sc2ccccc2c1c3ncc[nH]3 271570a_100016988920_100009816528 [0,0,0,1,0,1|2,0,0]=4 447 B18R3.12792 C1=Cc2ccc(cc2C1)Sc3ccccc3 62a_100000719477_200009818231 [0,0,0,1,0,1|2,0,0]=4 448 B18R3.12792 C1=Cc2ccc(cc2C1)Sc3ccccc3 62a_200009818231_100000041952 [0,0,0,1,0,1|2,0,0]=4 449 B18R3.12792 c1cc(ccn1)Sc2ccc3ccoc3c2 62a_100000728582_100000759542 [0,0,0,1,0,1|2,0,0]=4 450 B18R3.12792 c1ccc(cc1)Sc2ccc3cc[nH]c3c2 62a_100000719477_100000743809 [0,0,0,1,0,1|2,0,0]=4 451 B18R3.12792 c1ccc(cc1)Sc2ccc3ccoc3c2 62a_100000719477_100000759542 [0,0,0,1,0,1|1,0,0]=3 452 B18R3.12792 c1ccc(cc1)Sc2ccc3ccsc3c2 62a_100000719477_100009888917 [0,0,0,1,0,1|1,1,0]=4 453 B18R3.12792 c1ccc(cc1)Sc2ccc3cnoc3c2 62a_100000719477_100009817722 [0,0,0,1,0,1|2,0,0]=4 454 B18R3.12792 c1ccc(cc1)Sc2ccc3ncoc3c2 62a_100000719477_100009817590 [0,0,0,1,0,1|2,0,0]=4 455 B18R3.12792 c1ccc(cc1)Sc2cnc3cc[nH]c3c2 62a_100000719477_100009818992 [0,0,0,1,0,1|2,0,0]=4 456 B18R3.12792 c1ccc(cc1)Sc2cnc3ncoc3c2 62a_100000719477_100000721906 [0,0,0,1,0,1|2,0,0]=4 457 B18R3.12792 c1ccc(cc1)Sc2cnc3ncoc3c2 62a_100000721906_100000041952 [0,0,0,1,0,1|2,0,0]=4 458 B18R3.12792 c1ccc(nc1)Sc2ccc3ccoc3c2 62a_100011216584_100000759542 [0,0,0,1,0,1|2,0,0]=4 459 B18R3.12792 c1cncc(c1)Sc2ccc3ccoc3c2 62a_100000210063_100000759542 [0,0,0,1,0,1|2,0,0]=4 460 B18R3.36580 c1coc(c1)Sc2ccc3ccccc3c2 62a_100009814098_100000233703 [0,0,0,1,0,1|2,0,0]=4 461 B18R3.36580 c1coc(c1)Sc2ccc3ccccc3n2 62a_100009814098_100011291633 [0,0,0,1,0,1|2,0,0]=4 462 B18R3.36580 c1coc(c1)Sc2ccc3ccccc3n2 62a_100011291633_100009814098 [0,0,0,1,0,1|2,0,0]=4 463 B18R3.36580 c1coc(c1)Sc2cnc3ccccc3c2 62a_100009814098_100000737414 [0,0,0,1,0,1|2,0,0]=4 464 B18R3.36580 c1coc(c1)Sc2cnc3ccccc3n2 62a_100000756483_100009814098 [0,0,0,1,0,1|2,0,0]=4 465 B18R3.36580 c1coc(c1)Sc2cnc3ccccc3n2 62a_100009814098_100000756483 [0,0,0,1,0,1|2,0,0]=4 466 B18R3.15 c1ccc(cc1)c2cc([nH]n2)c3ccco3 271570a_100000750936_114929179799 [0,0,0,1,0,1|2,0,0]=4 467 B18R3.15 c1ccc(cc1)c2ccc(s2)c3ccco3 271570a_100000042179_100009814098 [0,0,0,1,0,1|1,0,0]=3 468 B18R3.15 c1ccc(cc1)c2ccc(s2)c3ccco3 271570a_100000750936_100009814279 [0,0,0,1,0,1|1,0,0]=3 469 B18R3.15 c1ccc(cc1)c2ccc(s2)c3cccs3 271570a_100000042179_100011215356 [0,0,0,1,0,1|1,1,0]=4 470 B18R3.15 c1ccc(cc1)c2ccc(s2)c3cccs3 271570a_100000742291_100009814279 [0,0,0,1,0,1|1,1,0]=4 471 B18R3.15 c1ccc(cc1)c2ccc(s2)c3cccs3 271570a_100009828409_100000210277 [0,0,0,1,0,1|1,1,0]=4 472 B18R3.15 c1ccc(cc1)c2ccc(s2)c3cccs3 271570a_100011218836_100009813948 [0,0,0,1,0,1|1,1,0]=4 473 B18R3.15 c1ccc(cc1)c2ccc(s2)c3ccno3 271570a_100011218836_100011934308 [0,0,0,1,0,1|2,0,0]=4 474 B18R3.15 c1ccc(cc1)c2ccc(s2)c3cnco3 271570a_100000042179_100020591547 [0,0,0,1,0,1|2,0,0]=4 475 B18R3.15 c1ccc(cc1)c2ccc(s2)c3ncco3 271570a_100000042179_100011787736 [0,0,0,1,0,1|2,0,0]=4 476 B18R3.15 c1ccc(cc1)c2cnc(o2)c3ccco3 271570a_100000750936_100000729704 [0,0,0,1,0,1|1,0,0]=3 477 B18R3.15 c1ccc(cc1)c2cnc(o2)c3cccs3 271570a_100000742291_100000729704 [0,0,0,1,0,1|1,1,0]=4 478 B18R3.15 c1ccc(cc1)c2cnc(s2)c3ccco3 271570a_100000750936_100000685549 [0,0,0,1,0,1|1,0,0]=3 479 B18R3.15 c1ccc(cc1)c2cnc(s2)c3cccs3 271570a_100000742291_100000685549 [0,0,0,1,0,1|1,1,0]=4 480 B18R3.15 c1ccc(cc1)c2csc(n2)c3ccco3 271570a_100000750936_100011830410 [0,0,0,1,0,1|0,1,0]=3 481 B18R3.15 c1ccc(cc1)c2csc(n2)c3cccs3 271570a_100000742291_100011830410 [0,0,0,1,0,1|0,2,0]=4 482 B18R3.15 c1ccc(cc1)c2nc(c[nH]2)c3ccco3 271570a_100000750936_200010210587 [0,0,0,1,0,1|2,0,0]=4 483 B18R3.15 c1ccc(cc1)c2nc(co2)c3ccco3 271570a_100000750936_100010163736 [0,0,0,1,0,1|2,0,0]=4 484 B18R3.15 c1ccc(cc1)c2nc(n[nH]2)c3ccco3 271570a_100000750936_100010173362 [0,0,0,1,0,1|2,0,0]=4 485 B18R3.15 c1ccc(cc1)c2nc(no2)c3ccco3 270196a_100000735424_100000185807 [0,0,0,1,0,1|2,0,0]=4 486 B18R3.15 c1ccc(cc1)c2nc(no2)c3ccco3 271570a_100000750936_200000701163 [0,0,0,1,0,1|2,0,0]=4 487 B18R3.15 c1ccc(cc1)c2ncc(o2)c3ccco3 271570a_100000750936_100009814072 [0,0,0,1,0,1|2,0,0]=4 488 B18R3.15 c1ccc(cc1)c2ncc(s2)c3ccco3 271570a_100000750936_100000726391 [0,0,0,1,0,1|2,0,0]=4 489 B18R3.15 c1ccc(cc1)c2nnc(s2)c3ccco3 271570a_100000750936_100000694505 [0,0,0,1,0,1|2,0,0]=4 490 B18R3.15 c1ccc(cc1)n2ccc(n2)c3ccco3 271570a_100010074871_100009814098 [0,0,0,1,0,1|2,0,0]=4 491 B18R3.15 c1ccc(nc1)c2ccc(s2)c3ccco3 271570a_100000750936_100009814253 [0,0,0,1,0,1|2,0,0]=4 492 B18R3.15 c1ccc(nc1)c2csc(n2)c3ccco3 271570a_100000750936_100012352321 [0,0,0,1,0,1|1,1,0]=4 493 B18R3.15 c1cncc(c1)c2ccc(s2)c3ccco3 271570a_100000750936_100009816763 [0,0,0,1,0,1|2,0,0]=4 494 B18R3.15 c1coc(c1)c2nc(cs2)c3ccncc3 271570a_100000750936_200012352323 [0,0,0,1,0,1|1,1,0]=4 495 B18R3.3347 c1coc(c1)SCc2csc3c2cccc3 62a_100009814098_200000742921 [0,0,0,1,0,1|0,1,1]=4 496 B18R3.3347 c1coc(c1)SCc2csc3c2cccc3 62a_200000742921_100009814098 [0,0,0,1,0,1|0,1,1]=4 497 B18R3.4323 Cc1c(ccc2c1cc[nH]2)c3ccccc3 271570a_100011218836_100010731972 [0,0,0,1,0,1|2,0,0]=4 498 B18R3.4323 Cc1c(cnc2c1cc[nH]2)c3ccccc3 271570a_100011218836_100010254266 [0,0,0,1,0,1|2,0,0]=4 499 B18R3.4323 Clc1c(cnc2c1cc[nH]2)c3ccccc3 271570a_100011218836_100010219237 [0,0,0,1,0,1|2,0,0]=4 500 B18R3.4323 Fc1c(ccc2c1cc[nH]2)c3ccccc3 271570a_100011218836_100000700836 [0,0,0,1,0,1|2,0,0]=4 501 B18R3.4323 Fc1c(cnc2c1cc[nH]2)c3ccccc3 271570a_100011218836_100011012301 [0,0,0,1,0,1|2,0,0]=4 502 B18R3.4323 Nc1c(cnc2c1cc[nH]2)c3ccccc3 271570a_100011218836_100010168494 [0,0,0,1,0,1|2,0,0]=4 503 B18R3.4323 O=c1c(c[nH]c2c1scc2)c3ccccc3 271570a_100011218836_100012569241 [0,0,0,1,0,1|2,0,0]=4 504 B18R3.2972 Brc1ccc(cc1)c2ccc3c(c2)CC=C3 271570a_100010235827_200009818231 [0,1,0,1,0,0|2,0,0]=4 505 B18R3.2972 Brc1ccc(cc1)c2ccc3cc[nH]c3c2 271570a_100010177849_100000752885 [0,1,0,1,0,0|2,0,0]=4 506 B18R3.2972 Brc1ccc(cc1)c2ccc3cc[nH]c3c2 271570a_100010235827_100000743809 [0,1,0,1,0,0|2,0,0]=4 507 B18R3.2972 Brc1ccc(cc1)c2ccc3ccoc3c2 271570a_100010235827_100000759542 [0,1,0,1,0,0|1,0,0]=3 508 B18R3.2972 Brc1ccc(cc1)c2ccc3ccoc3c2 271570a_100010238505_100000752885 [0,1,0,1,0,0|1,0,0]=3 509 B18R3.2972 Brc1ccc(cc1)c2ccc3ccsc3c2 271570a_100010235827_100009888917 [0,1,0,1,0,0|1,1,0]=4 510 B18R3.2972 Brc1ccc(cc1)c2ccc3cnoc3c2 271570a_100010235827_100009817722 [0,1,0,1,0,0|2,0,0]=4 511 B18R3.2972 Brc1ccc(cc1)c2ccc3ncoc3c2 271570a_100010171804_100000752885 [0,1,0,1,0,0|2,0,0]=4 512 B18R3.2972 Brc1ccc(cc1)c2ccc3ncoc3c2 271570a_100010235827_100009817590 [0,1,0,1,0,0|2,0,0]=4 513 B18R3.2972 Brc1ccc(cc1)c2cnc3cc[nH]c3c2 271570a_100009864229_100000752885 [0,1,0,1,0,0|2,0,0]=4 514 B18R3.2972 Brc1ccc(cc1)c2cnc3cc[nH]c3c2 271570a_100010235827_100009818992 [0,1,0,1,0,0|2,0,0]=4 515 B18R3.2972 Brc1ccc(cc1)c2cnc3ncoc3c2 271570a_100010235827_100000721906 [0,1,0,1,0,0|2,0,0]=4 516 B18R3.2972 Brc1ccc(cn1)c2ccc3ccoc3c2 271570a_100010238505_100009814638 [0,1,0,1,0,0|2,0,0]=4 517 B18R3.2972 Brc1ccc(nc1)c2ccc3ccoc3c2 271570a_100010238505_100000686858 [0,1,0,1,0,0|2,0,0]=4 518 B18R3.2972 C[n+]1ccc(cc1)c2ccc3ccoc3c2 271570a_100010897472_100000759542 [0,1,0,1,0,0|2,0,0]=4 519 B18R3.2972 Cc1ccc(cc1)c2ccc3c(c2)CC=C3 271570a_100000708704_200009818231 [0,1,0,1,0,0|2,0,0]=4 520 B18R3.2972 Cc1ccc(cc1)c2ccc3cc[nH]c3c2 271570a_100000708704_100000743809 [0,1,0,1,0,0|2,0,0]=4 521 B18R3.2972 Cc1ccc(cc1)c2ccc3cc[nH]c3c2 271570a_100010177849_100000186775 [0,1,0,1,0,0|2,0,0]=4 522 B18R3.2972 Cc1ccc(cc1)c2ccc3ccoc3c2 271570a_100000708704_100000759542 [0,1,0,1,0,0|1,0,0]=3 523 B18R3.2972 Cc1ccc(cc1)c2ccc3ccoc3c2 271570a_100010238505_100000186775 [0,1,0,1,0,0|1,0,0]=3 524 B18R3.2972 Cc1ccc(cc1)c2ccc3ccsc3c2 271570a_100000708704_100009888917 [0,1,0,1,0,0|1,1,0]=4 525 B18R3.2972 Cc1ccc(cc1)c2ccc3cnoc3c2 271570a_100000708704_100009817722 [0,1,0,1,0,0|2,0,0]=4 526 B18R3.2972 Cc1ccc(cc1)c2ccc3ncoc3c2 271570a_100000708704_100009817590 [0,1,0,1,0,0|2,0,0]=4 527 B18R3.2972 Cc1ccc(cc1)c2ccc3ncoc3c2 271570a_100010171804_100000186775 [0,1,0,1,0,0|2,0,0]=4 528 B18R3.2972 Cc1ccc(cc1)c2cnc3cc[nH]c3c2 271570a_100000708704_100009818992 [0,1,0,1,0,0|2,0,0]=4 529 B18R3.2972 Cc1ccc(cc1)c2cnc3cc[nH]c3c2 271570a_100009864229_100000186775 [0,1,0,1,0,0|2,0,0]=4 530 B18R3.2972 Cc1ccc(cc1)c2cnc3ncoc3c2 271570a_100000708704_100000721906 [0,1,0,1,0,0|2,0,0]=4 531 B18R3.2972 Cc1ccc(cn1)c2ccc3ccoc3c2 271570a_100010238505_100000751577 [0,1,0,1,0,0|2,0,0]=4 532 B18R3.2972 Cc1ccc(cn1)c2ccc3ccoc3c2 271570a_100012354835_100000759542 [0,1,0,1,0,0|2,0,0]=4 533 B18R3.2972 Cc1ccc(nc1)c2ccc3ccoc3c2 271570a_100000066433_100000759542 [0,1,0,1,0,0|2,0,0]=4 534 B18R3.2972 Cc1ccc(nc1)c2ccc3ccoc3c2 271570a_100010238505_100000754016 [0,1,0,1,0,0|2,0,0]=4 535 B18R3.2972 Clc1ccc(cc1)c2ccc3c(c2)CC=C3 271570a_100011213355_200009818231 [0,1,0,1,0,0|2,0,0]=4 536 B18R3.2972 Clc1ccc(cc1)c2ccc3cc[nH]c3c2 271570a_100010177849_100000755918 [0,1,0,1,0,0|2,0,0]=4 537 B18R3.2972 Clc1ccc(cc1)c2ccc3cc[nH]c3c2 271570a_100011213355_100000743809 [0,1,0,1,0,0|2,0,0]=4 538 B18R3.2972 Clc1ccc(cc1)c2ccc3ccoc3c2 271570a_100010238505_100000755918 [0,1,0,1,0,0|1,0,0]=3 539 B18R3.2972 Clc1ccc(cc1)c2ccc3ccoc3c2 271570a_100011213355_100000759542 [0,1,0,1,0,0|1,0,0]=3 540 B18R3.2972 Clc1ccc(cc1)c2ccc3ccsc3c2 271570a_100011213355_100009888917 [0,1,0,1,0,0|1,1,0]=4 541 B18R3.2972 Clc1ccc(cc1)c2ccc3cnoc3c2 271570a_100011213355_100009817722 [0,1,0,1,0,0|2,0,0]=4 542 B18R3.2972 Clc1ccc(cc1)c2ccc3ncoc3c2 271570a_100010171804_100000755918 [0,1,0,1,0,0|2,0,0]=4 543 B18R3.2972 Clc1ccc(cc1)c2ccc3ncoc3c2 271570a_100011213355_100009817590 [0,1,0,1,0,0|2,0,0]=4 544 B18R3.2972 Clc1ccc(cc1)c2cnc3cc[nH]c3c2 271570a_100009864229_100000755918 [0,1,0,1,0,0|2,0,0]=4 545 B18R3.2972 Clc1ccc(cc1)c2cnc3cc[nH]c3c2 271570a_100011213355_100009818992 [0,1,0,1,0,0|2,0,0]=4 546 B18R3.2972 Clc1ccc(cc1)c2cnc3ncoc3c2 271570a_100011213355_100000721906 [0,1,0,1,0,0|2,0,0]=4 547 B18R3.2972 Clc1ccc(cn1)c2ccc3ccoc3c2 271570a_100000037156_100000759542 [0,1,0,1,0,0|2,0,0]=4 548 B18R3.2972 Clc1ccc(cn1)c2ccc3ccoc3c2 271570a_100010238505_100000034144 [0,1,0,1,0,0|2,0,0]=4 549 B18R3.2972 Clc1ccc(nc1)c2ccc3ccoc3c2 271570a_100010238505_100011356976 [0,1,0,1,0,0|2,0,0]=4 550 B18R3.2972 Clc1ccc(nc1)c2ccc3ccoc3c2 271570a_200000049369_100000759542 [0,1,0,1,0,0|2,0,0]=4 551 B18R3.2972 Fc1ccc(cc1)c2ccc3c(c2)CC=C3 271570a_100011934326_200009818231 [0,1,0,1,0,0|2,0,0]=4 552 B18R3.2972 Fc1ccc(cc1)c2ccc3cc[nH]c3c2 271570a_100010177849_100000211213 [0,1,0,1,0,0|2,0,0]=4 553 B18R3.2972 Fc1ccc(cc1)c2ccc3cc[nH]c3c2 271570a_100011934326_100000743809 [0,1,0,1,0,0|2,0,0]=4 554 B18R3.2972 Fc1ccc(cc1)c2ccc3ccoc3c2 271570a_100010238505_100000211213 [0,1,0,1,0,0|1,0,0]=3 555 B18R3.2972 Fc1ccc(cc1)c2ccc3ccoc3c2 271570a_100011934326_100000759542 [0,1,0,1,0,0|1,0,0]=3 556 B18R3.2972 Fc1ccc(cc1)c2ccc3ccsc3c2 271570a_100011934326_100009888917 [0,1,0,1,0,0|1,1,0]=4 557 B18R3.2972 Fc1ccc(cc1)c2ccc3cnoc3c2 271570a_100011934326_100009817722 [0,1,0,1,0,0|2,0,0]=4 558 B18R3.2972 Fc1ccc(cc1)c2ccc3ncoc3c2 271570a_100010171804_100000211213 [0,1,0,1,0,0|2,0,0]=4 559 B18R3.2972 Fc1ccc(cc1)c2ccc3ncoc3c2 271570a_100011934326_100009817590 [0,1,0,1,0,0|2,0,0]=4 560 B18R3.2972 Fc1ccc(cc1)c2cnc3cc[nH]c3c2 271570a_100009864229_100000211213 [0,1,0,1,0,0|2,0,0]=4 561 B18R3.2972 Fc1ccc(cc1)c2cnc3cc[nH]c3c2 271570a_100011934326_100009818992 [0,1,0,1,0,0|2,0,0]=4 562 B18R3.2972 Fc1ccc(cc1)c2cnc3ncoc3c2 271570a_100011934326_100000721906 [0,1,0,1,0,0|2,0,0]=4 563 B18R3.2972 Fc1ccc(cn1)c2ccc3ccoc3c2 271570a_100000041719_100000759542 [0,1,0,1,0,0|2,0,0]=4 564 B18R3.2972 Fc1ccc(cn1)c2ccc3ccoc3c2 271570a_100010238505_100000748661 [0,1,0,1,0,0|2,0,0]=4 565 B18R3.2972 Fc1ccc(nc1)c2ccc3ccoc3c2 271570a_100000117362_100000759542 [0,1,0,1,0,0|2,0,0]=4 566 B18R3.2972 Fc1ccc(nc1)c2ccc3ccoc3c2 271570a_100010238505_100000744514 [0,1,0,1,0,0|2,0,0]=4 567 B18R3.2972 Ic1ccc(cc1)c2ccc3c(c2)CC=C3 271570a_100000033156_200009818231 [0,1,0,1,0,0|2,0,0]=4 568 B18R3.2972 Ic1ccc(cc1)c2ccc3cc[nH]c3c2 271570a_100000033156_100000743809 [0,1,0,1,0,0|2,0,0]=4 569 B18R3.2972 Ic1ccc(cc1)c2ccc3ccoc3c2 271570a_100000033156_100000759542 [0,1,0,1,0,0|1,0,0]=3 570 B18R3.2972 Ic1ccc(cc1)c2ccc3ccsc3c2 271570a_100000033156_100009888917 [0,1,0,1,0,0|1,1,0]=4 571 B18R3.2972 Ic1ccc(cc1)c2ccc3cnoc3c2 271570a_100000033156_100009817722 [0,1,0,1,0,0|2,0,0]=4 572 B18R3.2972 Ic1ccc(cc1)c2ccc3ncoc3c2 271570a_100000033156_100009817590 [0,1,0,1,0,0|2,0,0]=4 573 B18R3.2972 Ic1ccc(cc1)c2cnc3cc[nH]c3c2 271570a_100000033156_100009818992 [0,1,0,1,0,0|2,0,0]=4 574 B18R3.2972 Ic1ccc(cc1)c2cnc3ncoc3c2 271570a_100000033156_100000721906 [0,1,0,1,0,0|2,0,0]=4 575 B18R3.2972 Nc1ccc(cc1)c2ccc3c(c2)CC=C3 271570a_100015188457_200009818231 [0,1,0,1,0,0|2,0,0]=4 576 B18R3.2972 Nc1ccc(cc1)c2ccc3cc[nH]c3c2 271570a_100010177849_100000185761 [0,1,0,1,0,0|2,0,0]=4 577 B18R3.2972 Nc1ccc(cc1)c2ccc3cc[nH]c3c2 271570a_100015188457_100000743809 [0,1,0,1,0,0|2,0,0]=4 578 B18R3.2972 Nc1ccc(cc1)c2ccc3ccoc3c2 271570a_100010238505_100000185761 [0,1,0,1,0,0|1,0,0]=3 579 B18R3.2972 Nc1ccc(cc1)c2ccc3ccoc3c2 271570a_100015188457_100000759542 [0,1,0,1,0,0|1,0,0]=3 580 B18R3.2972 Nc1ccc(cc1)c2ccc3ccsc3c2 271570a_100015188457_100009888917 [0,1,0,1,0,0|1,1,0]=4 581 B18R3.2972 Nc1ccc(cc1)c2ccc3cnoc3c2 271570a_100015188457_100009817722 [0,1,0,1,0,0|2,0,0]=4 582 B18R3.2972 Nc1ccc(cc1)c2ccc3ncoc3c2 271570a_100010171804_100000185761 [0,1,0,1,0,0|2,0,0]=4 583 B18R3.2972 Nc1ccc(cc1)c2ccc3ncoc3c2 271570a_100015188457_100009817590 [0,1,0,1,0,0|2,0,0]=4 584 B18R3.2972 Nc1ccc(cc1)c2cnc3cc[nH]c3c2 271570a_100009864229_100000185761 [0,1,0,1,0,0|2,0,0]=4 585 B18R3.2972 Nc1ccc(cc1)c2cnc3cc[nH]c3c2 271570a_100015188457_100009818992 [0,1,0,1,0,0|2,0,0]=4 586 B18R3.2972 Nc1ccc(cc1)c2cnc3ncoc3c2 271570a_100015188457_100000721906 [0,1,0,1,0,0|2,0,0]=4 587 B18R3.2972 Nc1ccc(cn1)c2ccc3ccoc3c2 271570a_100000062249_100000759542 [0,1,0,1,0,0|2,0,0]=4 588 B18R3.2972 Nc1ccc(cn1)c2ccc3ccoc3c2 271570a_100010238505_100000187370 [0,1,0,1,0,0|2,0,0]=4 589 B18R3.2972 Nc1ccc(nc1)c2ccc3ccoc3c2 271570a_100010238505_100000744251 [0,1,0,1,0,0|2,0,0]=4 590 B18R3.2972 O=c1ccc(c[nH]1)c2ccc3ccoc3c2 271570a_100010238505_100000212171 [0,1,0,1,0,0|2,0,0]=4 591 B18R3.2972 Oc1ccc(cc1)c2ccc3c(c2)CC=C3 271570a_100015205159_200009818231 [0,1,0,1,0,0|2,0,0]=4 592 B18R3.2972 Oc1ccc(cc1)c2ccc3cc[nH]c3c2 271570a_100010177849_100000185759 [0,1,0,1,0,0|2,0,0]=4 593 B18R3.2972 Oc1ccc(cc1)c2ccc3cc[nH]c3c2 271570a_100015205159_100000743809 [0,1,0,1,0,0|2,0,0]=4 594 B18R3.2972 Oc1ccc(cc1)c2ccc3ccoc3c2 271570a_100010238505_100000185759 [0,1,0,1,0,0|1,0,0]=3 595 B18R3.2972 Oc1ccc(cc1)c2ccc3ccoc3c2 271570a_100015205159_100000759542 [0,1,0,1,0,0|1,0,0]=3 596 B18R3.2972 Oc1ccc(cc1)c2ccc3ccsc3c2 271570a_100015205159_100009888917 [0,1,0,1,0,0|1,1,0]=4 597 B18R3.2972 Oc1ccc(cc1)c2ccc3cnoc3c2 271570a_100015205159_100009817722 [0,1,0,1,0,0|2,0,0]=4 598 B18R3.2972 Oc1ccc(cc1)c2ccc3ncoc3c2 271570a_100010171804_100000185759 [0,1,0,1,0,0|2,0,0]=4 599 B18R3.2972 Oc1ccc(cc1)c2ccc3ncoc3c2 271570a_100015205159_100009817590 [0,1,0,1,0,0|2,0,0]=4 600 B18R3.2972 Oc1ccc(cc1)c2cnc3cc[nH]c3c2 271570a_100009864229_100000185759 [0,1,0,1,0,0|2,0,0]=4 601 B18R3.2972 Oc1ccc(cc1)c2cnc3cc[nH]c3c2 271570a_100015205159_100009818992 [0,1,0,1,0,0|2,0,0]=4 602 B18R3.2972 Oc1ccc(cc1)c2cnc3ncoc3c2 271570a_100015205159_100000721906 [0,1,0,1,0,0|2,0,0]=4 603 B18R3.2972 Oc1ccc(cn1)c2ccc3ccoc3c2 271570a_100000062254_100000759542 [0,1,0,1,0,0|2,0,0]=4 604 B18R3.2972 Oc1ccc(nc1)c2ccc3ccoc3c2 271570a_100010238505_100000685995 [0,1,0,1,0,0|2,0,0]=4 605 B18R3.2972 [O-][n+]1ccc(cc1)c2ccc3ccoc3c2 271570a_100010238505_100000039755 [0,1,0,1,0,0|2,0,0]=4 606 B18R3.11 c1coc(c1)Sc2cccc3c2cccc3 62a_100009814098_100000210605 [0,1,0,1,0,0|2,0,0]=4 607 B18R3.11 c1coc(c1)Sc2ccnc3c2cccc3 62a_100009814098_100011215880 [0,1,0,1,0,0|2,0,0]=4 608 B18R3.11 c1coc(c1)Sc2ccnc3c2cccc3 62a_100011458314_100009814098 [0,1,0,1,0,0|2,0,0]=4 609 B18R3.11 c1coc(c1)Sc2cncc3c2cccc3 62a_100000187577_100009814098 [0,1,0,1,0,0|2,0,0]=4 610 B18R3.11 c1coc(c1)Sc2cncc3c2cccc3 62a_100009814098_100000187577 [0,1,0,1,0,0|2,0,0]=4 611 B18R3.11 c1coc(c1)Sc2cnnc3c2cccc3 62a_100009814098_100000063506 [0,1,0,1,0,0|2,0,0]=4 612 B18R3.11 c1coc(c1)Sc2nccc3c2cccc3 62a_100009814098_100011934041 [0,1,0,1,0,0|2,0,0]=4 613 B18R3.11 c1coc(c1)Sc2nccc3c2cccc3 62a_100011934041_100009814098 [0,1,0,1,0,0|2,0,0]=4 614 B18R3.11 c1coc(c1)Sc2ncnc3c2cccc3 62a_100000753007_100009814098 [0,1,0,1,0,0|2,0,0]=4 615 B18R3.11 c1coc(c1)Sc2ncnc3c2cccc3 62a_100009814098_100000217608 [0,1,0,1,0,0|2,0,0]=4 616 B18R3.2107 c1ccc(cc1)c2cn[nH]c2c3cccs3 271570a_100011218836_100009816245 [0,1,0,1,0,0|1,1,0]=4 617 B18R3.2107 c1ccc(cc1)c2n[nH]cc2c3ccco3 271570a_100000750936_100011471533 [0,1,0,1,0,0|2,0,0]=4 618 B18R3.2107 c1ccc(cc1)n2nccc2c3ccco3 271570a_100000750936_100011001034 [0,1,0,1,0,0|2,0,0]=4 619 B18R3.2107 c1ccc(cc1)n2nccc2c3ccco3 271570a_100010749473_100009814098 [0,1,0,1,0,0|2,0,0]=4 620 B18R3.6550 Brc1cc(cc2c1cc[nH]2)c3ccccc3 271570a_100011218836_100009814775 [0,1,0,1,0,0|2,0,0]=4 621 B18R3.6550 Fc1cc(cc2c1cc[nH]2)c3ccccc3 271570a_100011218836_100010186028 [0,1,0,1,0,0|2,0,0]=4 622 B18R3.6550 Nc1cc(cc2c1cc[nH]2)c3ccccc3 271570a_100011218836_106744500199 [0,1,0,1,0,0|2,0,0]=4 623 B18R3.618712 O=C1CC(c2c1cccc2)Sc3ccco3 62a_100009814098_100010208147 [0,1,0,1,0,0|1,0,1]=4 624 B18R3.618712 O=C1CC(c2c1cccc2)Sc3ccco3 62a_100010208147_100009814098 [0,1,0,1,0,0|1,0,1]=4 625 B18R3.618712 O=C1OC(c2c1cccc2)Sc3ccco3 62a_100009814098_100009813457 [0,1,0,1,0,0|1,0,1]=4 626 B18R3.151 Cc1cc2ccc(cc2[nH]1)c3ccccc3 271570a_100011218836_100010196937 [0,1,0,1,0,0|2,0,0]=4 627 B18R3.151 Cc1cc2ncc(cc2[nH]1)c3ccccc3 271570a_100011218836_100010168555 [0,1,0,1,0,0|2,0,0]=4 628 B18R3.151 Cc1nc2ccc(cc2o1)c3ccccc3 271570a_100010171806_100000210277 [0,1,0,1,0,0|2,0,0]=4 629 B18R3.151 Cc1nc2ccc(cc2o1)c3ccccc3 271570a_100011218836_100010171164 [0,1,0,1,0,0|2,0,0]=4 630 B18R3.151 Cc1nc2ncc(cc2o1)c3ccccc3 271570a_100011218836_100010235748 [0,1,0,1,0,0|2,0,0]=4 631 B18R3.151 Nc1nc2ccc(cc2o1)c3ccccc3 271570a_100011218836_100010000678 [0,1,0,1,0,0|2,0,0]=4 632 B18R3.151 Nc1nc2ccc(cc2o1)c3ccccc3 271570a_200010082647_100000210277 [0,1,0,1,0,0|2,0,0]=4 633 B18R3.151 O=c1[nH]c2ccc(cc2o1)c3ccccc3 271570a_100009850194_100000210277 [0,1,0,1,0,0|2,0,0]=4 634 B18R3.151 O=c1[nH]c2ccc(cc2o1)c3ccccc3 271570a_100011218836_100000697996 [0,1,0,1,0,0|2,0,0]=4 635 B18R3.151 O=c1[nH]c2ncc(cc2o1)c3ccccc3 271570a_100011218836_100000721845 [0,1,0,1,0,0|2,0,0]=4 636 B18R3.4180 Cc1c[nH]c2c1ccc(c2)c3ccccc3 271570a_100010209595_100000210277 [0,1,0,1,0,0|2,0,0]=4 637 B18R3.4180 Cc1c[nH]c2c1ccc(c2)c3ccccc3 271570a_100011218836_100010209589 [0,1,0,1,0,0|2,0,0]=4 638 B18R3.4180 Cc1coc2c1ccc(c2)c3ccccc3 271570a_100011218836_100010775837 [0,1,0,1,0,0|1,0,0]=3 639 B18R3.4180 Cc1coc2c1ccc(c2)c3ccccn3 271570a_100011264011_100010775837 [0,1,0,1,0,0|2,0,0]=4 640 B18R3.4180 Cc1coc2c1ccc(c2)c3cccnc3 271570a_100000757648_100010775837 [0,1,0,1,0,0|2,0,0]=4 641 B18R3.4180 Cc1coc2c1ccc(c2)c3ccncc3 271570a_100000752145_100010775837 [0,1,0,1,0,0|2,0,0]=4 642 B18R3.4180 Cc1noc2c1ccc(c2)c3ccccc3 271570a_100011218836_100009815287 [0,1,0,1,0,0|2,0,0]=4 643 B18R3.4180 Nc1noc2c1ccc(c2)c3ccccc3 271570a_100011218836_100012356334 [0,1,0,1,0,0|2,0,0]=4 644 B18R3.4180 O=C1C=Cc2c1ccc(c2)c3ccccc3 271570a_100011218836_100010210589 [0,1,0,1,0,0|2,0,0]=4 645 B18R3.4180 O=C1COc2c1ccc(c2)c3ccccc3 271570a_100011218836_100000686717 [0,1,0,1,0,0|1,0,1]=4 646 B18R3.4180 Oc1noc2c1ccc(c2)c3ccccc3 271570a_100011218836_100000727085 [0,1,0,1,0,0|2,0,0]=4 647 B18R3.3026 Brc1cc(ccn1)c2ccc3ccoc3c2 271570a_100010238505_100009814637 [0,1,0,1,0,0|2,0,0]=4 648 B18R3.3026 Brc1cccc(c1)c2ccc3cc[nH]c3c2 271570a_100010177849_100000691529 [0,1,0,1,0,0|2,0,0]=4 649 B18R3.3026 Brc1cccc(c1)c2ccc3ccoc3c2 271570a_100010238505_100000691529 [0,1,0,1,0,0|1,0,0]=3 650 B18R3.3026 Brc1cccc(c1)c2ccc3ncoc3c2 271570a_100010171804_100000691529 [0,1,0,1,0,0|2,0,0]=4 651 B18R3.3026 Brc1cccc(c1)c2cnc3cc[nH]c3c2 271570a_100009864229_100000691529 [0,1,0,1,0,0|2,0,0]=4 652 B18R3.3026 Brc1cccc(n1)c2ccc3ccoc3c2 271570a_100010238505_100000684672 [0,1,0,1,0,0|2,0,0]=4 653 B18R3.3026 Brc1cncc(c1)c2ccc3ccoc3c2 271570a_100010238505_100000728054 [0,1,0,1,0,0|2,0,0]=4 654 B18R3.3026 Brc1cncc(c1)c2ccc3ccoc3c2 271570a_200009814628_100000759542 [0,1,0,1,0,0|2,0,0]=4 655 B18R3.3026 C[n+]1cccc(c1)c2ccc3ccoc3c2 271570a_100010238505_100009996589 [0,1,0,1,0,0|2,0,0]=4 656 B18R3.3026 Cc1cc(ccn1)c2ccc3ccoc3c2 271570a_100010238505_100000758586 [0,1,0,1,0,0|2,0,0]=4 657 B18R3.3026 Cc1cc(ccn1)c2ccc3ccoc3c2 271570a_100011830414_100000759542 [0,1,0,1,0,0|2,0,0]=4 658 B18R3.3026 Cc1cccc(c1)c2ccc3c(c2)CC=C3 271570a_100000749446_200009818231 [0,1,0,1,0,0|2,0,0]=4 659 B18R3.3026 Cc1cccc(c1)c2ccc3cc[nH]c3c2 271570a_100000749446_100000743809 [0,1,0,1,0,0|2,0,0]=4 660 B18R3.3026 Cc1cccc(c1)c2ccc3cc[nH]c3c2 271570a_100010177849_100011215228 [0,1,0,1,0,0|2,0,0]=4 661 B18R3.3026 Cc1cccc(c1)c2ccc3ccoc3c2 271570a_100000749446_100000759542 [0,1,0,1,0,0|1,0,0]=3 662 B18R3.3026 Cc1cccc(c1)c2ccc3ccoc3c2 271570a_100010238505_100011215228 [0,1,0,1,0,0|1,0,0]=3 663 B18R3.3026 Cc1cccc(c1)c2ccc3ccsc3c2 271570a_100000749446_100009888917 [0,1,0,1,0,0|1,1,0]=4 664 B18R3.3026 Cc1cccc(c1)c2ccc3cnoc3c2 271570a_100000749446_100009817722 [0,1,0,1,0,0|2,0,0]=4 665 B18R3.3026 Cc1cccc(c1)c2ccc3ncoc3c2 271570a_100000749446_100009817590 [0,1,0,1,0,0|2,0,0]=4 666 B18R3.3026 Cc1cccc(c1)c2ccc3ncoc3c2 271570a_100010171804_100011215228 [0,1,0,1,0,0|2,0,0]=4 667 B18R3.3026 Cc1cccc(c1)c2cnc3cc[nH]c3c2 271570a_100000749446_100009818992 [0,1,0,1,0,0|2,0,0]=4 668 B18R3.3026 Cc1cccc(c1)c2cnc3cc[nH]c3c2 271570a_100009864229_100011215228 [0,1,0,1,0,0|2,0,0]=4 669 B18R3.3026 Cc1cccc(c1)c2cnc3ncoc3c2 271570a_100000749446_100000721906 [0,1,0,1,0,0|2,0,0]=4 670 B18R3.3026 Cc1cccc(n1)c2ccc3ccoc3c2 271570a_100000046275_100000759542 [0,1,0,1,0,0|2,0,0]=4 671 B18R3.3026 Cc1cccc(n1)c2ccc3ccoc3c2 271570a_100010238505_100000742759 [0,1,0,1,0,0|2,0,0]=4 672 B18R3.3026 Cc1ccnc(c1)c2ccc3ccoc3c2 271570a_100000049243_100000759542 [0,1,0,1,0,0|2,0,0]=4 673 B18R3.3026 Cc1ccnc(c1)c2ccc3ccoc3c2 271570a_100010238505_100000750283 [0,1,0,1,0,0|2,0,0]=4 674 B18R3.3026 Cc1cncc(c1)c2ccc3ccoc3c2 271570a_100010238505_100000760492 [0,1,0,1,0,0|2,0,0]=4 675 B18R3.3026 Cc1cncc(c1)c2ccc3ccoc3c2 271570a_100012355712_100000759542 [0,1,0,1,0,0|2,0,0]=4 676 B18R3.3026 Clc1cc(ccn1)c2ccc3ccoc3c2 271570a_100000049459_100000759542 [0,1,0,1,0,0|2,0,0]=4 677 B18R3.3026 Clc1cc(ccn1)c2ccc3ccoc3c2 271570a_100010238505_100000035001 [0,1,0,1,0,0|2,0,0]=4 678 B18R3.3026 Clc1cccc(c1)c2ccc3c(c2)CC=C3 271570a_100011214927_200009818231 [0,1,0,1,0,0|2,0,0]=4 679 B18R3.3026 Clc1cccc(c1)c2ccc3cc[nH]c3c2 271570a_100010177849_100000699651 [0,1,0,1,0,0|2,0,0]=4 680 B18R3.3026 Clc1cccc(c1)c2ccc3cc[nH]c3c2 271570a_100011214927_100000743809 [0,1,0,1,0,0|2,0,0]=4 681 B18R3.3026 Clc1cccc(c1)c2ccc3ccoc3c2 271570a_100010238505_100000699651 [0,1,0,1,0,0|1,0,0]=3 682 B18R3.3026 Clc1cccc(c1)c2ccc3ccoc3c2 271570a_100011214927_100000759542 [0,1,0,1,0,0|1,0,0]=3 683 B18R3.3026 Clc1cccc(c1)c2ccc3ccsc3c2 271570a_100011214927_100009888917 [0,1,0,1,0,0|1,1,0]=4 684 B18R3.3026 Clc1cccc(c1)c2ccc3cnoc3c2 271570a_100011214927_100009817722 [0,1,0,1,0,0|2,0,0]=4 685 B18R3.3026 Clc1cccc(c1)c2ccc3ncoc3c2 271570a_100010171804_100000699651 [0,1,0,1,0,0|2,0,0]=4 686 B18R3.3026 Clc1cccc(c1)c2ccc3ncoc3c2 271570a_100011214927_100009817590 [0,1,0,1,0,0|2,0,0]=4 687 B18R3.3026 Clc1cccc(c1)c2cnc3cc[nH]c3c2 271570a_100009864229_100000699651 [0,1,0,1,0,0|2,0,0]=4 688 B18R3.3026 Clc1cccc(c1)c2cnc3cc[nH]c3c2 271570a_100011214927_100009818992 [0,1,0,1,0,0|2,0,0]=4 689 B18R3.3026 Clc1cccc(c1)c2cnc3ncoc3c2 271570a_100011214927_100000721906 [0,1,0,1,0,0|2,0,0]=4 690 B18R3.3026 Clc1cccc(n1)c2ccc3ccoc3c2 271570a_100000062326_100000759542 [0,1,0,1,0,0|2,0,0]=4 691 B18R3.3026 Clc1ccnc(c1)c2ccc3ccoc3c2 271570a_100010238505_100010167805 [0,1,0,1,0,0|2,0,0]=4 692 B18R3.3026 Clc1cncc(c1)c2ccc3ccoc3c2 271570a_100000049213_100000759542 [0,1,0,1,0,0|2,0,0]=4 693 B18R3.3026 Clc1cncc(c1)c2ccc3ccoc3c2 271570a_100010238505_100000049639 [0,1,0,1,0,0|2,0,0]=4 694 B18R3.3026 Fc1cc(ccn1)c2ccc3ccoc3c2 271570a_100000062321_100000759542 [0,1,0,1,0,0|2,0,0]=4 695 B18R3.3026 Fc1cc(ccn1)c2ccc3ccoc3c2 271570a_100010238505_100009816116 [0,1,0,1,0,0|2,0,0]=4 696 B18R3.3026 Fc1cccc(c1)c2ccc3c(c2)CC=C3 271570a_100012349223_200009818231 [0,1,0,1,0,0|2,0,0]=4 697 B18R3.3026 Fc1cccc(c1)c2ccc3cc[nH]c3c2 271570a_100010177849_100000685547 [0,1,0,1,0,0|2,0,0]=4 698 B18R3.3026 Fc1cccc(c1)c2ccc3cc[nH]c3c2 271570a_100012349223_100000743809 [0,1,0,1,0,0|2,0,0]=4 699 B18R3.3026 Fc1cccc(c1)c2ccc3ccoc3c2 271570a_100010238505_100000685547 [0,1,0,1,0,0|1,0,0]=3 700 B18R3.3026 Fc1cccc(c1)c2ccc3ccoc3c2 271570a_100012349223_100000759542 [0,1,0,1,0,0|1,0,0]=3 701 B18R3.3026 Fc1cccc(c1)c2ccc3ccsc3c2 271570a_100012349223_100009888917 [0,1,0,1,0,0|1,1,0]=4 702 B18R3.3026 Fc1cccc(c1)c2ccc3cnoc3c2 271570a_100012349223_100009817722 [0,1,0,1,0,0|2,0,0]=4 703 B18R3.3026 Fc1cccc(c1)c2ccc3ncoc3c2 271570a_100010171804_100000685547 [0,1,0,1,0,0|2,0,0]=4 704 B18R3.3026 Fc1cccc(c1)c2ccc3ncoc3c2 271570a_100012349223_100009817590 [0,1,0,1,0,0|2,0,0]=4 705 B18R3.3026 Fc1cccc(c1)c2cnc3cc[nH]c3c2 271570a_100009864229_100000685547 [0,1,0,1,0,0|2,0,0]=4 706 B18R3.3026 Fc1cccc(c1)c2cnc3cc[nH]c3c2 271570a_100012349223_100009818992 [0,1,0,1,0,0|2,0,0]=4 707 B18R3.3026 Fc1cccc(c1)c2cnc3ncoc3c2 271570a_100012349223_100000721906 [0,1,0,1,0,0|2,0,0]=4 708 B18R3.3026 Fc1cccc(n1)c2ccc3ccoc3c2 271570a_100000090185_100000759542 [0,1,0,1,0,0|2,0,0]=4 709 B18R3.3026 Fc1cccc(n1)c2ccc3ccoc3c2 271570a_100010238505_100009815982 [0,1,0,1,0,0|2,0,0]=4 710 B18R3.3026 Fc1ccnc(c1)c2ccc3ccoc3c2 271570a_100010238505_100009817058 [0,1,0,1,0,0|2,0,0]=4 711 B18R3.3026 Fc1ccnc(c1)c2ccc3ccoc3c2 271570a_200000087102_100000759542 [0,1,0,1,0,0|2,0,0]=4 712 B18R3.3026 Fc1cncc(c1)c2ccc3ccoc3c2 271570a_100000757375_100000759542 [0,1,0,1,0,0|2,0,0]=4 713 B18R3.3026 Fc1cncc(c1)c2ccc3ccoc3c2 271570a_100010238505_100000744099 [0,1,0,1,0,0|2,0,0]=4 714 B18R3.3026 Ic1cccc(c1)c2ccc3c(c2)CC=C3 271570a_100000043368_200009818231 [0,1,0,1,0,0|2,0,0]=4 715 B18R3.3026 Ic1cccc(c1)c2ccc3cc[nH]c3c2 271570a_100000043368_100000743809 [0,1,0,1,0,0|2,0,0]=4 716 B18R3.3026 Ic1cccc(c1)c2ccc3ccoc3c2 271570a_100000043368_100000759542 [0,1,0,1,0,0|1,0,0]=3 717 B18R3.3026 Ic1cccc(c1)c2ccc3ccsc3c2 271570a_100000043368_100009888917 [0,1,0,1,0,0|1,1,0]=4 718 B18R3.3026 Ic1cccc(c1)c2ccc3cnoc3c2 271570a_100000043368_100009817722 [0,1,0,1,0,0|2,0,0]=4 719 B18R3.3026 Ic1cccc(c1)c2ccc3ncoc3c2 271570a_100000043368_100009817590 [0,1,0,1,0,0|2,0,0]=4 720 B18R3.3026 Ic1cccc(c1)c2cnc3cc[nH]c3c2 271570a_100000043368_100009818992 [0,1,0,1,0,0|2,0,0]=4 721 B18R3.3026 Ic1cccc(c1)c2cnc3ncoc3c2 271570a_100000043368_100000721906 [0,1,0,1,0,0|2,0,0]=4 722 B18R3.3026 Nc1cc(ccn1)c2ccc3ccoc3c2 271570a_100010238505_100000744379 [0,1,0,1,0,0|2,0,0]=4 723 B18R3.3026 Nc1cc(ccn1)c2ccc3ccoc3c2 271570a_102125402725_100000759542 [0,1,0,1,0,0|2,0,0]=4 724 B18R3.3026 Nc1cccc(c1)c2ccc3c(c2)CC=C3 271570a_100000699968_200009818231 [0,1,0,1,0,0|2,0,0]=4 725 B18R3.3026 Nc1cccc(c1)c2ccc3cc[nH]c3c2 271570a_100000699968_100000743809 [0,1,0,1,0,0|2,0,0]=4 726 B18R3.3026 Nc1cccc(c1)c2ccc3cc[nH]c3c2 271570a_100010177849_100000210019 [0,1,0,1,0,0|2,0,0]=4 727 B18R3.3026 Nc1cccc(c1)c2ccc3ccoc3c2 271570a_100000699968_100000759542 [0,1,0,1,0,0|1,0,0]=3 728 B18R3.3026 Nc1cccc(c1)c2ccc3ccoc3c2 271570a_100010238505_100000210019 [0,1,0,1,0,0|1,0,0]=3 729 B18R3.3026 Nc1cccc(c1)c2ccc3ccsc3c2 271570a_100000699968_100009888917 [0,1,0,1,0,0|1,1,0]=4 730 B18R3.3026 Nc1cccc(c1)c2ccc3cnoc3c2 271570a_100000699968_100009817722 [0,1,0,1,0,0|2,0,0]=4 731 B18R3.3026 Nc1cccc(c1)c2ccc3ncoc3c2 271570a_100000699968_100009817590 [0,1,0,1,0,0|2,0,0]=4 732 B18R3.3026 Nc1cccc(c1)c2ccc3ncoc3c2 271570a_100010171804_100000210019 [0,1,0,1,0,0|2,0,0]=4 733 B18R3.3026 Nc1cccc(c1)c2cnc3cc[nH]c3c2 271570a_100000699968_100009818992 [0,1,0,1,0,0|2,0,0]=4 734 B18R3.3026 Nc1cccc(c1)c2cnc3cc[nH]c3c2 271570a_100009864229_100000210019 [0,1,0,1,0,0|2,0,0]=4 735 B18R3.3026 Nc1cccc(c1)c2cnc3ncoc3c2 271570a_100000699968_100000721906 [0,1,0,1,0,0|2,0,0]=4 736 B18R3.3026 Nc1cccc(n1)c2ccc3ccoc3c2 271570a_100010238505_100000740741 [0,1,0,1,0,0|2,0,0]=4 737 B18R3.3026 Nc1ccnc(c1)c2ccc3ccoc3c2 271570a_100010238505_100009814236 [0,1,0,1,0,0|2,0,0]=4 738 B18R3.3026 Nc1cncc(c1)c2ccc3ccoc3c2 271570a_100000069896_100000759542 [0,1,0,1,0,0|2,0,0]=4 739 B18R3.3026 Nc1cncc(c1)c2ccc3ccoc3c2 271570a_100010238505_100000687067 [0,1,0,1,0,0|2,0,0]=4 740 B18R3.3026 O=c1cc(cc[nH]1)c2ccc3ccoc3c2 271570a_100010238505_100009816521 [0,1,0,1,0,0|2,0,0]=4 741 B18R3.3026 O=c1cccc([nH]1)c2ccc3ccoc3c2 271570a_100010238505_100000761760 [0,1,0,1,0,0|2,0,0]=4 742 B18R3.3026 Oc1cc(ccn1)c2ccc3ccoc3c2 271570a_100010237957_100000759542 [0,1,0,1,0,0|2,0,0]=4 743 B18R3.3026 Oc1cccc(c1)c2ccc3c(c2)CC=C3 271570a_100000693801_200009818231 [0,1,0,1,0,0|2,0,0]=4 744 B18R3.3026 Oc1cccc(c1)c2ccc3cc[nH]c3c2 271570a_100000693801_100000743809 [0,1,0,1,0,0|2,0,0]=4 745 B18R3.3026 Oc1cccc(c1)c2ccc3cc[nH]c3c2 271570a_100010177849_100000211634 [0,1,0,1,0,0|2,0,0]=4 746 B18R3.3026 Oc1cccc(c1)c2ccc3ccoc3c2 271570a_100000693801_100000759542 [0,1,0,1,0,0|1,0,0]=3 747 B18R3.3026 Oc1cccc(c1)c2ccc3ccoc3c2 271570a_100010238505_100000211634 [0,1,0,1,0,0|1,0,0]=3 748 B18R3.3026 Oc1cccc(c1)c2ccc3ccsc3c2 271570a_100000693801_100009888917 [0,1,0,1,0,0|1,1,0]=4 749 B18R3.3026 Oc1cccc(c1)c2ccc3cnoc3c2 271570a_100000693801_100009817722 [0,1,0,1,0,0|2,0,0]=4 750 B18R3.3026 Oc1cccc(c1)c2ccc3ncoc3c2 271570a_100000693801_100009817590 [0,1,0,1,0,0|2,0,0]=4 751 B18R3.3026 Oc1cccc(c1)c2ccc3ncoc3c2 271570a_100010171804_100000211634 [0,1,0,1,0,0|2,0,0]=4 752 B18R3.3026 Oc1cccc(c1)c2cnc3cc[nH]c3c2 271570a_100000693801_100009818992 [0,1,0,1,0,0|2,0,0]=4 753 B18R3.3026 Oc1cccc(c1)c2cnc3cc[nH]c3c2 271570a_100009864229_100000211634 [0,1,0,1,0,0|2,0,0]=4 754 B18R3.3026 Oc1cccc(c1)c2cnc3ncoc3c2 271570a_100000693801_100000721906 [0,1,0,1,0,0|2,0,0]=4 755 B18R3.3026 Oc1cccc(n1)c2ccc3ccoc3c2 271570a_100010195584_100000759542 [0,1,0,1,0,0|2,0,0]=4 756 B18R3.3026 Oc1ccnc(c1)c2ccc3ccoc3c2 271570a_100010238505_100000762945 [0,1,0,1,0,0|2,0,0]=4 757 B18R3.3026 Oc1cncc(c1)c2ccc3ccoc3c2 271570a_100010238505_100000754920 [0,1,0,1,0,0|2,0,0]=4 758 B18R3.3026 Oc1cncc(c1)c2ccc3ccoc3c2 271570a_100010248756_100000759542 [0,1,0,1,0,0|2,0,0]=4 759 B18R3.3026 [O-][n+]1cccc(c1)c2ccc3ccoc3c2 271570a_100010238505_100009815978 [0,1,0,1,0,0|2,0,0]=4 760 B18R3.3026 [S]c1cccc(c1)c2ccc3cc[nH]c3c2 271570a_100010177849_114929384022 [0,1,0,1,0,0|2,0,0]=4 761 B18R3.3026 [S]c1cccc(c1)c2ccc3ccoc3c2 271570a_100010238505_114929384022 [0,1,0,1,0,0|1,0,0]=3 762 B18R3.3026 [S]c1cccc(c1)c2ccc3ncoc3c2 271570a_100010171804_114929384022 [0,1,0,1,0,0|2,0,0]=4 763 B18R3.3026 [S]c1cccc(c1)c2cnc3cc[nH]c3c2 271570a_100009864229_114929384022 [0,1,0,1,0,0|2,0,0]=4 764 B18R3.54382 Nc1ccc2scc(c2c1)Sc3ccco3 62a_100009814098_100011178648 [0,1,0,1,0,0|1,1,0]=4 765 B18R3.54382 Nc1ccc2scc(c2c1)Sc3ccco3 62a_100011178648_100009814098 [0,1,0,1,0,0|1,1,0]=4 766 B18R3.171 Brc1cc2cc[nH]c2cc1c3ccccc3 271570a_100011218836_100000703010 [0,1,0,1,0,0|2,0,0]=4 767 B18R3.171 Cc1cc2cc[nH]c2cc1c3ccccc3 271570a_100011218836_100010199660 [0,1,0,1,0,0|2,0,0]=4 768 B18R3.171 Cc1cc2ccsc2cc1c3ccccc3 271570a_100011218836_100010762285 [0,1,0,1,0,0|1,1,0]=4 769 B18R3.171 Fc1cc2cc[nH]c2cc1c3ccccc3 271570a_100011218836_100009817181 [0,1,0,1,0,0|2,0,0]=4 770 B18R3.53542 Cn1ccc2c1cc(cc2)c3ccccc3 271570a_100010197304_100000210277 [0,1,0,1,0,0|2,0,0]=4 771 B18R3.53542 Cn1ccc2c1cc(cc2)c3ccccc3 271570a_100011218836_100011934912 [0,1,0,1,0,0|2,0,0]=4 772 B18R3.53542 Cn1ccc2c1cc(cn2)c3ccccc3 271570a_100011218836_100010761474 [0,1,0,1,0,0|2,0,0]=4 773 B18R3.6371 Cc1oc2ccccc2c1Sc3ccco3 62a_100009814098_200010236113 [0,1,0,1,0,0|1,0,1]=4 774 B18R3.6371 Cc1sc2ccccc2c1Sc3ccco3 62a_100009814098_100010002616 [0,1,0,1,0,0|1,1,0]=4 775 B18R3.6371 Cc1sc2ccccc2c1Sc3ccco3 62a_100010002616_100009814098 [0,1,0,1,0,0|1,1,0]=4 776 B18R3.6371 O=C1Nc2ccccc2C1Sc3ccco3 62a_100009814098_200009996675 [0,1,0,1,0,0|1,0,1]=4 777 B18R3.3958 Brc1ccccc1c2ccc3cc[nH]c3c2 271570a_100010177849_100000695589 [0,1,0,1,0,0|2,0,0]=4 778 B18R3.3958 Brc1ccccc1c2ccc3ccoc3c2 271570a_100010238505_100000695589 [0,1,0,1,0,0|1,0,0]=3 779 B18R3.3958 Brc1ccccc1c2ccc3ncoc3c2 271570a_100010171804_100000695589 [0,1,0,1,0,0|2,0,0]=4 780 B18R3.3958 Brc1ccccc1c2cnc3cc[nH]c3c2 271570a_100009864229_100000695589 [0,1,0,1,0,0|2,0,0]=4 781 B18R3.3958 Brc1cccnc1c2ccc3ccoc3c2 271570a_100010238505_100000696092 [0,1,0,1,0,0|2,0,0]=4 782 B18R3.3958 Brc1ccncc1c2ccc3ccoc3c2 271570a_100010238505_100010138639 [0,1,0,1,0,0|2,0,0]=4 783 B18R3.3958 Brc1cnccc1c2ccc3ccoc3c2 271570a_100010238505_100000726257 [0,1,0,1,0,0|2,0,0]=4 784 B18R3.3958 Brc1ncccc1c2ccc3ccoc3c2 271570a_100010238505_100010202626 [0,1,0,1,0,0|2,0,0]=4 785 B18R3.3958 C[n+]1ccccc1c2ccc3ccoc3c2 271570a_100010238505_100000212160 [0,1,0,1,0,0|2,0,0]=4 786 B18R3.3958 Cc1ccccc1c2ccc3c(c2)CC=C3 271570a_100000747142_200009818231 [0,1,0,1,0,0|2,0,0]=4 787 B18R3.3958 Cc1ccccc1c2ccc3cc[nH]c3c2 271570a_100000747142_100000743809 [0,1,0,1,0,0|2,0,0]=4 788 B18R3.3958 Cc1ccccc1c2ccc3cc[nH]c3c2 271570a_100010177849_100000210755 [0,1,0,1,0,0|2,0,0]=4 789 B18R3.3958 Cc1ccccc1c2ccc3ccoc3c2 271570a_100000747142_100000759542 [0,1,0,1,0,0|1,0,0]=3 790 B18R3.3958 Cc1ccccc1c2ccc3ccoc3c2 271570a_100010238505_100000210755 [0,1,0,1,0,0|1,0,0]=3 791 B18R3.3958 Cc1ccccc1c2ccc3ccsc3c2 271570a_100000747142_100009888917 [0,1,0,1,0,0|1,1,0]=4 792 B18R3.3958 Cc1ccccc1c2ccc3cnoc3c2 271570a_100000747142_100009817722 [0,1,0,1,0,0|2,0,0]=4 793 B18R3.3958 Cc1ccccc1c2ccc3ncoc3c2 271570a_100000747142_100009817590 [0,1,0,1,0,0|2,0,0]=4 794 B18R3.3958 Cc1ccccc1c2ccc3ncoc3c2 271570a_100010171804_100000210755 [0,1,0,1,0,0|2,0,0]=4 795 B18R3.3958 Cc1ccccc1c2cnc3cc[nH]c3c2 271570a_100000747142_100009818992 [0,1,0,1,0,0|2,0,0]=4 796 B18R3.3958 Cc1ccccc1c2cnc3cc[nH]c3c2 271570a_100009864229_100000210755 [0,1,0,1,0,0|2,0,0]=4 797 B18R3.3958 Cc1ccccc1c2cnc3ncoc3c2 271570a_100000747142_100000721906 [0,1,0,1,0,0|2,0,0]=4 798 B18R3.3958 Cc1cccnc1c2ccc3ccoc3c2 271570a_100010238505_100000751373 [0,1,0,1,0,0|2,0,0]=4 799 B18R3.3958 Cc1ccncc1c2ccc3ccoc3c2 271570a_100010238505_100000761580 [0,1,0,1,0,0|2,0,0]=4 800 B18R3.3958 Cc1ccncc1c2ccc3ccoc3c2 271570a_100011935247_100000759542 [0,1,0,1,0,0|2,0,0]=4 801 B18R3.3958 Cc1cnccc1c2ccc3ccoc3c2 271570a_100000701363_100000759542 [0,1,0,1,0,0|2,0,0]=4 802 B18R3.3958 Cc1cnccc1c2ccc3ccoc3c2 271570a_100010238505_100015191297 [0,1,0,1,0,0|2,0,0]=4 803 B18R3.3958 Cc1ncccc1c2ccc3ccoc3c2 271570a_100010238505_100000751574 [0,1,0,1,0,0|2,0,0]=4 804 B18R3.3958 Cc1ncccc1c2ccc3ccoc3c2 271570a_100011934933_100000759542 [0,1,0,1,0,0|2,0,0]=4 805 B18R3.3958 Clc1ccccc1c2ccc3c(c2)CC=C3 271570a_100011934419_200009818231 [0,1,0,1,0,0|2,0,0]=4 806 B18R3.3958 Clc1ccccc1c2ccc3cc[nH]c3c2 271570a_100010177849_100000764095 [0,1,0,1,0,0|2,0,0]=4 807 B18R3.3958 Clc1ccccc1c2ccc3cc[nH]c3c2 271570a_100011934419_100000743809 [0,1,0,1,0,0|2,0,0]=4 808 B18R3.3958 Clc1ccccc1c2ccc3ccoc3c2 271570a_100010238505_100000764095 [0,1,0,1,0,0|1,0,0]=3 809 B18R3.3958 Clc1ccccc1c2ccc3ccoc3c2 271570a_100011934419_100000759542 [0,1,0,1,0,0|1,0,0]=3 810 B18R3.3958 Clc1ccccc1c2ccc3ccsc3c2 271570a_100011934419_100009888917 [0,1,0,1,0,0|1,1,0]=4 811 B18R3.3958 Clc1ccccc1c2ccc3cnoc3c2 271570a_100011934419_100009817722 [0,1,0,1,0,0|2,0,0]=4 812 B18R3.3958 Clc1ccccc1c2ccc3ncoc3c2 271570a_100010171804_100000764095 [0,1,0,1,0,0|2,0,0]=4 813 B18R3.3958 Clc1ccccc1c2ccc3ncoc3c2 271570a_100011934419_100009817590 [0,1,0,1,0,0|2,0,0]=4 814 B18R3.3958 Clc1ccccc1c2cnc3cc[nH]c3c2 271570a_100009864229_100000764095 [0,1,0,1,0,0|2,0,0]=4 815 B18R3.3958 Clc1ccccc1c2cnc3cc[nH]c3c2 271570a_100011934419_100009818992 [0,1,0,1,0,0|2,0,0]=4 816 B18R3.3958 Clc1ccccc1c2cnc3ncoc3c2 271570a_100011934419_100000721906 [0,1,0,1,0,0|2,0,0]=4 817 B18R3.3958 Clc1cccnc1c2ccc3ccoc3c2 271570a_100009857861_100000759542 [0,1,0,1,0,0|2,0,0]=4 818 B18R3.3958 Clc1cccnc1c2ccc3ccoc3c2 271570a_100010238505_100011356963 [0,1,0,1,0,0|2,0,0]=4 819 B18R3.3958 Clc1ccncc1c2ccc3ccoc3c2 271570a_100000062317_100000759542 [0,1,0,1,0,0|2,0,0]=4 820 B18R3.3958 Clc1ccncc1c2ccc3ccoc3c2 271570a_100010238505_100009995489 [0,1,0,1,0,0|2,0,0]=4 821 B18R3.3958 Clc1cnccc1c2ccc3ccoc3c2 271570a_100000062318_100000759542 [0,1,0,1,0,0|2,0,0]=4 822 B18R3.3958 Clc1cnccc1c2ccc3ccoc3c2 271570a_100010238505_100000708259 [0,1,0,1,0,0|2,0,0]=4 823 B18R3.3958 Clc1ncccc1c2ccc3ccoc3c2 271570a_100000047009_100000759542 [0,1,0,1,0,0|2,0,0]=4 824 B18R3.3958 Clc1ncccc1c2ccc3ccoc3c2 271570a_100010238505_100000036424 [0,1,0,1,0,0|2,0,0]=4 825 B18R3.3958 Fc1ccccc1c2ccc3c(c2)CC=C3 271570a_100000761933_200009818231 [0,1,0,1,0,0|2,0,0]=4 826 B18R3.3958 Fc1ccccc1c2ccc3cc[nH]c3c2 271570a_100000761933_100000743809 [0,1,0,1,0,0|2,0,0]=4 827 B18R3.3958 Fc1ccccc1c2ccc3cc[nH]c3c2 271570a_100010177849_100011215700 [0,1,0,1,0,0|2,0,0]=4 828 B18R3.3958 Fc1ccccc1c2ccc3ccoc3c2 271570a_100000761933_100000759542 [0,1,0,1,0,0|1,0,0]=3 829 B18R3.3958 Fc1ccccc1c2ccc3ccoc3c2 271570a_100010238505_100011215700 [0,1,0,1,0,0|1,0,0]=3 830 B18R3.3958 Fc1ccccc1c2ccc3ccsc3c2 271570a_100000761933_100009888917 [0,1,0,1,0,0|1,1,0]=4 831 B18R3.3958 Fc1ccccc1c2ccc3cnoc3c2 271570a_100000761933_100009817722 [0,1,0,1,0,0|2,0,0]=4 832 B18R3.3958 Fc1ccccc1c2ccc3ncoc3c2 271570a_100000761933_100009817590 [0,1,0,1,0,0|2,0,0]=4 833 B18R3.3958 Fc1ccccc1c2ccc3ncoc3c2 271570a_100010171804_100011215700 [0,1,0,1,0,0|2,0,0]=4 834 B18R3.3958 Fc1ccccc1c2cnc3cc[nH]c3c2 271570a_100000761933_100009818992 [0,1,0,1,0,0|2,0,0]=4 835 B18R3.3958 Fc1ccccc1c2cnc3cc[nH]c3c2 271570a_100009864229_100011215700 [0,1,0,1,0,0|2,0,0]=4 836 B18R3.3958 Fc1ccccc1c2cnc3ncoc3c2 271570a_100000761933_100000721906 [0,1,0,1,0,0|2,0,0]=4 837 B18R3.3958 Fc1cccnc1c2ccc3ccoc3c2 271570a_100010238505_100000685392 [0,1,0,1,0,0|2,0,0]=4 838 B18R3.3958 Fc1ccncc1c2ccc3ccoc3c2 271570a_100010238505_100009820683 [0,1,0,1,0,0|2,0,0]=4 839 B18R3.3958 Fc1cnccc1c2ccc3ccoc3c2 271570a_100010238505_100000047030 [0,1,0,1,0,0|2,0,0]=4 840 B18R3.3958 Fc1cnccc1c2ccc3ccoc3c2 271570a_100011290801_100000759542 [0,1,0,1,0,0|2,0,0]=4 841 B18R3.3958 Fc1ncccc1c2ccc3ccoc3c2 271570a_100000042387_100000759542 [0,1,0,1,0,0|2,0,0]=4 842 B18R3.3958 Fc1ncccc1c2ccc3ccoc3c2 271570a_100010238505_100009816115 [0,1,0,1,0,0|2,0,0]=4 843 B18R3.3958 Ic1ccccc1c2ccc3c(c2)CC=C3 271570a_100000069755_200009818231 [0,1,0,1,0,0|2,0,0]=4 844 B18R3.3958 Ic1ccccc1c2ccc3cc[nH]c3c2 271570a_100000069755_100000743809 [0,1,0,1,0,0|2,0,0]=4 845 B18R3.3958 Ic1ccccc1c2ccc3ccoc3c2 271570a_100000069755_100000759542 [0,1,0,1,0,0|1,0,0]=3 846 B18R3.3958 Ic1ccccc1c2ccc3ccsc3c2 271570a_100000069755_100009888917 [0,1,0,1,0,0|1,1,0]=4 847 B18R3.3958 Ic1ccccc1c2ccc3cnoc3c2 271570a_100000069755_100009817722 [0,1,0,1,0,0|2,0,0]=4 848 B18R3.3958 Ic1ccccc1c2ccc3ncoc3c2 271570a_100000069755_100009817590 [0,1,0,1,0,0|2,0,0]=4 849 B18R3.3958 Ic1ccccc1c2cnc3cc[nH]c3c2 271570a_100000069755_100009818992 [0,1,0,1,0,0|2,0,0]=4 850 B18R3.3958 Ic1ccccc1c2cnc3ncoc3c2 271570a_100000069755_100000721906 [0,1,0,1,0,0|2,0,0]=4 851 B18R3.3958 Nc1ccccc1c2ccc3c(c2)CC=C3 271570a_100000034411_200009818231 [0,1,0,1,0,0|2,0,0]=4 852 B18R3.3958 Nc1ccccc1c2ccc3cc[nH]c3c2 271570a_100000034411_100000743809 [0,1,0,1,0,0|2,0,0]=4 853 B18R3.3958 Nc1ccccc1c2ccc3cc[nH]c3c2 271570a_100010177849_100000210017 [0,1,0,1,0,0|2,0,0]=4 854 B18R3.3958 Nc1ccccc1c2ccc3ccoc3c2 271570a_100000034411_100000759542 [0,1,0,1,0,0|1,0,0]=3 855 B18R3.3958 Nc1ccccc1c2ccc3ccoc3c2 271570a_100010238505_100000210017 [0,1,0,1,0,0|1,0,0]=3 856 B18R3.3958 Nc1ccccc1c2ccc3ccsc3c2 271570a_100000034411_100009888917 [0,1,0,1,0,0|1,1,0]=4 857 B18R3.3958 Nc1ccccc1c2ccc3cnoc3c2 271570a_100000034411_100009817722 [0,1,0,1,0,0|2,0,0]=4 858 B18R3.3958 Nc1ccccc1c2ccc3ncoc3c2 271570a_100000034411_100009817590 [0,1,0,1,0,0|2,0,0]=4 859 B18R3.3958 Nc1ccccc1c2ccc3ncoc3c2 271570a_100010171804_100000210017 [0,1,0,1,0,0|2,0,0]=4 860 B18R3.3958 Nc1ccccc1c2cnc3cc[nH]c3c2 271570a_100000034411_100009818992 [0,1,0,1,0,0|2,0,0]=4 861 B18R3.3958 Nc1ccccc1c2cnc3cc[nH]c3c2 271570a_100009864229_100000210017 [0,1,0,1,0,0|2,0,0]=4 862 B18R3.3958 Nc1ccccc1c2cnc3ncoc3c2 271570a_100000034411_100000721906 [0,1,0,1,0,0|2,0,0]=4 863 B18R3.3958 Nc1cccnc1c2ccc3ccoc3c2 271570a_100010238505_100000688686 [0,1,0,1,0,0|2,0,0]=4 864 B18R3.3958 Nc1ccncc1c2ccc3ccoc3c2 271570a_100010238505_100000047001 [0,1,0,1,0,0|2,0,0]=4 865 B18R3.3958 Nc1ccncc1c2ccc3ccoc3c2 271570a_200010248739_100000759542 [0,1,0,1,0,0|2,0,0]=4 866 B18R3.3958 Nc1cnccc1c2ccc3ccoc3c2 271570a_100010238505_100009815883 [0,1,0,1,0,0|2,0,0]=4 867 B18R3.3958 Nc1ncccc1c2ccc3ccoc3c2 271570a_100000071976_100000759542 [0,1,0,1,0,0|2,0,0]=4 868 B18R3.3958 Nc1ncccc1c2ccc3ccoc3c2 271570a_100010238505_100000045569 [0,1,0,1,0,0|2,0,0]=4 869 B18R3.3958 O=c1[nH]cccc1c2ccc3ccoc3c2 271570a_100000099769_100000759542 [0,1,0,1,0,0|2,0,0]=4 870 B18R3.3958 O=c1[nH]cccc1c2ccc3ccoc3c2 271570a_100010238505_100000050042 [0,1,0,1,0,0|2,0,0]=4 871 B18R3.3958 O=c1cc[nH]cc1c2ccc3ccoc3c2 271570a_100010238505_100009998708 [0,1,0,1,0,0|2,0,0]=4 872 B18R3.3958 Oc1ccccc1c2ccc3c(c2)CC=C3 271570a_100000035170_200009818231 [0,1,0,1,0,0|2,0,0]=4 873 B18R3.3958 Oc1ccccc1c2ccc3cc[nH]c3c2 271570a_100000035170_100000743809 [0,1,0,1,0,0|2,0,0]=4 874 B18R3.3958 Oc1ccccc1c2ccc3cc[nH]c3c2 271570a_100010177849_100000739446 [0,1,0,1,0,0|2,0,0]=4 875 B18R3.3958 Oc1ccccc1c2ccc3ccoc3c2 271570a_100000035170_100000759542 [0,1,0,1,0,0|1,0,0]=3 876 B18R3.3958 Oc1ccccc1c2ccc3ccoc3c2 271570a_100010238505_100000739446 [0,1,0,1,0,0|1,0,0]=3 877 B18R3.3958 Oc1ccccc1c2ccc3ccsc3c2 271570a_100000035170_100009888917 [0,1,0,1,0,0|1,1,0]=4 878 B18R3.3958 Oc1ccccc1c2ccc3cnoc3c2 271570a_100000035170_100009817722 [0,1,0,1,0,0|2,0,0]=4 879 B18R3.3958 Oc1ccccc1c2ccc3ncoc3c2 271570a_100000035170_100009817590 [0,1,0,1,0,0|2,0,0]=4 880 B18R3.3958 Oc1ccccc1c2ccc3ncoc3c2 271570a_100010171804_100000739446 [0,1,0,1,0,0|2,0,0]=4 881 B18R3.3958 Oc1ccccc1c2cnc3cc[nH]c3c2 271570a_100000035170_100009818992 [0,1,0,1,0,0|2,0,0]=4 882 B18R3.3958 Oc1ccccc1c2cnc3cc[nH]c3c2 271570a_100009864229_100000739446 [0,1,0,1,0,0|2,0,0]=4 883 B18R3.3958 Oc1ccccc1c2cnc3ncoc3c2 271570a_100000035170_100000721906 [0,1,0,1,0,0|2,0,0]=4 884 B18R3.3958 Oc1cccnc1c2ccc3ccoc3c2 271570a_100010238505_100000034122 [0,1,0,1,0,0|2,0,0]=4 885 B18R3.3958 Oc1cnccc1c2ccc3ccoc3c2 271570a_100010238505_100009817591 [0,1,0,1,0,0|2,0,0]=4 886 B18R3.3958 S=c1cc[nH]cc1c2ccc3ccoc3c2 271570a_100010238505_200012280681 [0,1,0,1,0,0|2,0,0]=4 887 B18R3.3958 [O-][n+]1ccccc1c2ccc3ccoc3c2 271570a_100010238505_200000042595 [0,1,0,1,0,0|2,0,0]=4 888 B14R2.114 C=C(c1ccccc1)c2c[nH]cn2 271570a_100000068269_100000756875 [1,0,0,0,1,0|2,0,0]=4 889 B14R2.114 C=C(c1ccccc1)c2cc[nH]n2 271570a_100000068269_100000062575 [1,0,0,0,1,0|2,0,0]=4 890 B14R2.114 C=C(c1ccccc1)c2ccco2 271570a_100000068269_100009814098 [1,0,0,0,1,0|0,0,0]=2 891 B14R2.114 C=C(c1ccccc1)c2cccs2 271570a_100000068269_100011215356 [1,0,0,0,1,0|0,1,0]=3 892 B14R2.114 C=C(c1ccccc1)c2ccoc2 271570a_100000068269_100011215275 [1,0,0,0,1,0|2,0,0]=4 893 B14R2.114 C=C(c1ccccc1)c2ccsc2 271570a_100000068269_100000738268 [1,0,0,0,1,0|2,0,0]=4 894 B14R2.114 C=C(c1ccccc1)c2ccsn2 271570a_100000068269_100009818082 [1,0,0,0,1,0|2,0,0]=4 895 B14R2.114 C=C(c1ccccc1)c2cnco2 271570a_100000068269_100020591547 [1,0,0,0,1,0|1,0,0]=3 896 B14R2.114 C=C(c1ccccc1)c2cncs2 271570a_100000068269_100011934649 [1,0,0,0,1,0|1,1,0]=4 897 B14R2.114 C=C(c1ccccc1)c2cscn2 271570a_100000068269_100000751502 [1,0,0,0,1,0|2,0,0]=4 898 B14R2.114 C=C(c1ccccc1)c2ncc[nH]2 271570a_100000068269_100025796157 [1,0,0,0,1,0|2,0,0]=4 899 B14R2.114 C=C(c1ccccc1)c2ncco2 271570a_100000068269_100011787736 [1,0,0,0,1,0|1,0,0]=3 900 B14R2.114 C=C(c1ccccc1)c2nccs2 271570a_100000068269_100000211983 [1,0,0,0,1,0|1,1,0]=4 901 B16R2.88 O=C(Cc1ccccc1)c2ccccc2 1458a_100000185807_100015291786 [1,0,0,0,0,1|1,0,1]=4 902 B16R2.88 O=C(Cc1ccccn1)c2ccccc2 1458a_100000185807_100000721315 [1,0,0,0,0,1|1,0,1]=4 903 B16R2.88 O=C(Cc1cccnc1)c2ccccc2 1458a_100000185807_100000733263 [1,0,0,0,0,1|1,0,1]=4 904 B16R2.88 O=C(Cc1cccnn1)c2ccccc2 1458a_100000185807_100016990269 [1,0,0,0,0,1|1,0,1]=4 905 B16R2.88 O=C(Cc1ccncc1)c2ccccc2 1458a_100000185807_100000705612 [1,0,0,0,0,1|1,0,1]=4 906 B16R2.88 O=C(Cc1cnccn1)c2ccccc2 1458a_100000185807_100016995436 [1,0,0,0,0,1|1,0,1]=4 907 B16R2.88 O=C(Cc1ncccn1)c2ccccc2 1458a_100000185807_100000703007 [1,0,0,0,0,1|1,0,1]=4 908 B16R2.88 O=C(Nc1ccccc1)c2ccccc2 11a_100000106764_100000185807 [1,0,0,0,0,1|2,0,0]=4 909 B16R2.88 O=C(Nc1ccccc1)c2ccccc2 1626a_100000106764_100000185807 [1,0,0,0,0,1|2,0,0]=4 910 B16R2.88 O=C(Nc1ccccc1)c2ccccc2 22a_100000106764_100000185807 [1,0,0,0,0,1|2,0,0]=4 911 B16R2.88 O=C(Nc1ccccc1)c2ccccc2 527a_100000106764_100000185807 [1,0,0,0,0,1|2,0,0]=4 912 B16R2.524 O=C(Cc1ccc[nH]1)Nc2ccccc2 11a_100000106764_100000238377 [1,0,0,0,0,1|1,0,1]=4 913 B16R2.524 O=C(Cc1ccc[nH]1)Nc2ccccc2 22a_100000106764_100000238377 [1,0,0,0,0,1|1,0,1]=4 914 B16R2.524 O=C(Cc1ccc[nH]1)Nc2ccccc2 527a_100000106764_100000238377 [1,0,0,0,0,1|1,0,1]=4 915 B16R2.524 O=C(Cc1ccccc1)Cc2ccc[nH]2 1458a_100000238377_100015291786 [1,0,0,0,0,1|1,0,1]=4 916 B16R2.524 O=C(Cc1ccccc1)Cc2ccco2 1458a_100011217309_100015291786 [1,0,0,0,0,1|0,0,1]=3 917 B16R2.524 O=C(Cc1ccccc1)Cc2cccs2 1458a_100000210189_100015291786 [1,0,0,0,0,1|0,1,1]=4 918 B16R2.524 O=C(Cc1ccccn1)Cc2ccco2 1458a_100011217309_100000721315 [1,0,0,0,0,1|1,0,1]=4 919 B16R2.524 O=C(Cc1cccnc1)Cc2ccco2 1458a_100011217309_100000733263 [1,0,0,0,0,1|1,0,1]=4 920 B16R2.524 O=C(Cc1ccco1)Nc2ccccc2 11a_100000106764_100011217309 [1,0,0,0,0,1|0,0,1]=3 921 B16R2.524 O=C(Cc1ccco1)Nc2ccccc2 22a_100000106764_100011217309 [1,0,0,0,0,1|0,0,1]=3 922 B16R2.524 O=C(Cc1ccco1)Nc2ccccc2 527a_100000106764_100011217309 [1,0,0,0,0,1|0,0,1]=3 923 B16R2.524 O=C(Cc1cccs1)Nc2ccccc2 11a_100000106764_100000210189 [1,0,0,0,0,1|0,1,1]=4 924 B16R2.524 O=C(Cc1cccs1)Nc2ccccc2 1626a_100000106764_100000210189 [1,0,0,0,0,1|0,1,1]=4 925 B16R2.524 O=C(Cc1cccs1)Nc2ccccc2 22a_100000106764_100000210189 [1,0,0,0,0,1|0,1,1]=4 926 B16R2.524 O=C(Cc1ccncc1)Cc2ccco2 1458a_100011217309_100000705612 [1,0,0,0,0,1|1,0,1]=4 927 B16R2.5767 O=C(CCc1cccs1)c2ccccc2 1458a_100000185807_100000748579 [1,0,0,0,0,1|0,1,1]=4 928 B16R2.5767 O=C(CSc1ccco1)c2ccccc2 62a_100000211460_100009814098 [1,0,0,0,0,1|0,0,1]=3 929 B16R2.5767 O=C(CSc1ccco1)c2ccccc2 62a_100009814098_100000211460 [1,0,0,0,0,1|0,0,1]=3 930 B16R2.5767 O=C(CSc1ccco1)c2ccccn2 62a_100000027445_100009814098 [1,0,0,0,0,1|1,0,1]=4 931 B16R2.5767 O=C(CSc1ccco1)c2ccccn2 62a_100009814098_100000027445 [1,0,0,0,0,1|1,0,1]=4 932 B16R2.5767 O=C(CSc1ccco1)c2cccnc2 62a_100000757877_100009814098 [1,0,0,0,0,1|1,0,1]=4 933 B16R2.5767 O=C(CSc1ccco1)c2cccnc2 62a_100009814098_100000757877 [1,0,0,0,0,1|1,0,1]=4 934 B16R2.5767 O=C(CSc1ccco1)c2ccncc2 62a_100000027454_100009814098 [1,0,0,0,0,1|1,0,1]=4 935 B16R2.5767 O=C(CSc1ccco1)c2ccncc2 62a_100009814098_100000027454 [1,0,0,0,0,1|1,0,1]=4 936 B16R2.5767 O=C(CSc1cccs1)c2ccccc2 62a_100000211460_100011215356 [1,0,0,0,0,1|0,1,1]=4 937 B16R2.5767 O=C(CSc1cccs1)c2ccccc2 62a_100011215356_100000211460 [1,0,0,0,0,1|0,1,1]=4 938 B16R2.5767 O=C(CSc1cnco1)c2ccccc2 62a_100000211460_100020591547 [1,0,0,0,0,1|1,0,1]=4 939 B16R2.5767 O=C(CSc1cnco1)c2ccccc2 62a_100020591547_100000211460 [1,0,0,0,0,1|1,0,1]=4 940 B16R2.5767 O=C(CSc1ncco1)c2ccccc2 62a_100000211460_100011787736 [1,0,0,0,0,1|1,0,1]=4 941 B16R2.5767 O=C(CSc1ncco1)c2ccccc2 62a_100011787736_100000211460 [1,0,0,0,0,1|1,0,1]=4 942 B16R2.5767 O=C(NCc1ccc[nH]1)c2ccccc2 11a_100000764082_100000185807 [1,0,0,0,0,1|1,0,1]=4 943 B16R2.5767 O=C(NCc1ccc[nH]1)c2ccccc2 240690a_100000764082_100000185807 [1,0,0,0,0,1|1,0,1]=4 944 B16R2.5767 O=C(NCc1ccc[nH]1)c2ccccc2 527a_100000764082_100000185807 [1,0,0,0,0,1|1,0,1]=4 945 B16R2.5767 O=C(NCc1ccco1)c2ccccc2 11a_100000185738_100000185807 [1,0,0,0,0,1|0,0,1]=3 946 B16R2.5767 O=C(NCc1ccco1)c2ccccc2 1626a_100000185738_100000185807 [1,0,0,0,0,1|0,0,1]=3 947 B16R2.5767 O=C(NCc1ccco1)c2ccccc2 240690a_100000185738_100000185807 [1,0,0,0,0,1|0,0,1]=3 948 B16R2.5767 O=C(NCc1ccco1)c2ccccc2 527a_100000185738_100000185807 [1,0,0,0,0,1|0,0,1]=3 949 B16R2.5767 O=C(NCc1cccs1)c2ccccc2 11a_100000211653_100000185807 [1,0,0,0,0,1|0,1,1]=4 950 B16R2.5767 O=C(NCc1cccs1)c2ccccc2 1626a_100000211653_100000185807 [1,0,0,0,0,1|0,1,1]=4 951 B16R2.5767 O=C(NCc1cccs1)c2ccccc2 240690a_100000211653_100000185807 [1,0,0,0,0,1|0,1,1]=4 952 B16R2.5767 O=C(NCc1cccs1)c2ccccc2 527a_100000211653_100000185807 [1,0,0,0,0,1|0,1,1]=4 953 B16R2.5767 O=C(NCc1cnco1)c2ccccc2 11a_100020634212_100000185807 [1,0,0,0,0,1|1,0,1]=4 954 B16R2.5767 O=C(NCc1cnco1)c2ccccc2 240690a_100020634212_100000185807 [1,0,0,0,0,1|1,0,1]=4 955 B16R2.5767 O=C(NCc1cnco1)c2ccccc2 527a_100020634212_100000185807 [1,0,0,0,0,1|1,0,1]=4 956 B16R2.5767 O=C(NCc1ncco1)c2ccccc2 11a_100016994969_100000185807 [1,0,0,0,0,1|1,0,1]=4 957 B16R2.5767 O=C(NCc1ncco1)c2ccccc2 1626a_100016994969_100000185807 [1,0,0,0,0,1|1,0,1]=4 958 B16R2.5767 O=C(NCc1ncco1)c2ccccc2 240690a_100016994969_100000185807 [1,0,0,0,0,1|1,0,1]=4 959 B16R2.5767 O=C(NCc1ncco1)c2ccccc2 527a_100016994969_100000185807 [1,0,0,0,0,1|1,0,1]=4 960 B16R2.5767 O=S(CSc1ccco1)c2ccccc2 62a_100009814098_100000031784 [1,0,0,0,0,1|1,0,1]=4