0 B12R2.98 C1=CCN(C1)Cc2ccco2 cbb5fae572093b890c364e685ca9911a [0,0,0,0,0,0|0,0,2]=2 1 B12R2.98 C1=CCN(C1)Cc2cccs2 9ed19598a3ee0686601773b6cae0cc15 [0,0,0,0,0,0|0,1,2]=3 2 B12R2.98 C1=CCN(C1)Cc2ccno2 38f608496e3e429927753a7542d11d46 [0,0,0,0,0,0|1,0,2]=3 3 B12R2.98 C1=CCN(C1)Cc2ccon2 319111630fae0def2347d90248e6d974 [0,0,0,0,0,0|2,0,2]=4 4 B12R2.98 C1=CCN(C1)Cc2ccsc2 77e2096fdddeafdb3f7ec95c9c82953b [0,0,0,0,0,0|2,0,2]=4 5 B12R2.98 C1=CCN(C1)Cc2cnc[nH]2 fbefd298231f5c3e00a1c6ff57989843 [0,0,0,0,0,0|2,0,2]=4 6 B12R2.98 C1=CCN(C1)Cc2cnco2 624205ced489551f4329c3a253f434d2 [0,0,0,0,0,0|1,0,2]=3 7 B12R2.98 C1=CCN(C1)Cc2cocn2 911c4c38ef003fa03af08c67b0989ce0 [0,0,0,0,0,0|2,0,2]=4 8 B12R2.98 C1=CCN(C1)Cc2cscn2 89855aee21cedd50e0e5efb9c146f3f5 [0,0,0,0,0,0|2,0,2]=4 9 B12R2.98 C1=CCN(C1)Cc2ncc[nH]2 9aa262acbdbab63bd5b6e59e5396e8bc [0,0,0,0,0,0|2,0,2]=4 10 B12R2.98 C1=CCN(C1)Cc2ncco2 3b3e620f319ca39580d781c318af89be [0,0,0,0,0,0|1,0,2]=3 11 B12R2.98 C1=CCN(C1)Cc2nccs2 8deeec3185ec03ec5092f8b9b56b7a6b [0,0,0,0,0,0|1,1,2]=4 12 B12R2.98 C1=CCN(C1)Cc2ncno2 14d9a6989372e0861a25730f72941ad2 [0,0,0,0,0,0|2,0,2]=4 13 B12R2.98 C1=CCN(C1)Cc2nnco2 2f0b48262dd0fb2c5bb22761d1fa2c57 [0,0,0,0,0,0|2,0,2]=4 14 B12R2.98 c1cc(on1)Nc2ccoc2 954db15bb45f695f4b95c5fd27e77510 [0,0,0,0,0,0|4,0,0]=4 15 B12R2.98 c1cc(on1)Nc2ccsc2 e803223d92e4f406c26a261b36c952bf [0,0,0,0,0,0|4,0,0]=4 16 B12R2.98 c1coc(c1)CN2CCSC2 97b43035dd797ca54055f9c2d6e6e543 [0,0,0,0,0,0|1,0,3]=4 17 B12R2.98 c1coc(c1)Nc2ccno2 18e03245db0cf9175cf419477430f52c [0,0,0,0,0,0|4,0,0]=4 18 B12R2.98 c1coc(c1)Nc2ccns2 3c1e3170094474eb67eb9f3b62209447 [0,0,0,0,0,0|4,0,0]=4 19 B12R2.98 c1coc(c1)Nc2cnoc2 bea1334f149b90a281e2d6be8a34ed80 [0,0,0,0,0,0|4,0,0]=4 20 B12R2.98 c1coc(c1)Nc2cnsc2 712871c968a1b2eb83e5d1aaeec722b4 [0,0,0,0,0,0|4,0,0]=4 21 B12R2.98 c1coc(c1)Nc2cocn2 60f29934897bfe48a8fe40ab345f85ef [0,0,0,0,0,0|4,0,0]=4 22 B12R2.98 c1coc(n1)Nc2ccsc2 ebfffb34e5ee2d624fb6b088fde5f985 [0,0,0,0,0,0|4,0,0]=4 23 B12R2.98 c1csc(c1)Nc2ccno2 0bc373452fcc93d03201bfbebac82a5f [0,0,0,0,0,0|4,0,0]=4 24 B12R2.98 c1csc(c1)Nc2ccoc2 7ab9f6892950996bf70ac1a44cbfb607 [0,0,0,0,0,0|3,1,0]=4 25 B13R2.142 Brc1cc(on1)CN2CC=CC2 9bd3002a4b826c91f2b91a37e735dc7e [0,1,0,0,0,0|1,0,2]=4 26 B13R2.142 Brc1ccc(s1)CN2CC=CC2 6836ef244bc2d5654877d27ff16124a4 [0,1,0,0,0,0|0,1,2]=4 27 B13R2.142 Brc1cnc(o1)CN2CC=CC2 e0caf77109469112cb497a7d2b058cd4 [0,1,0,0,0,0|1,0,2]=4 28 B13R2.142 Brc1csc(c1)CN2CC=CC2 b38f67f14ee89ac3bb0aebefc9de0739 [0,1,0,0,0,0|0,1,2]=4 29 B13R2.142 Cc1cc(on1)CN2CC=CC2 81b010e909122ade7da5224ebdbc1654 [0,1,0,0,0,0|1,0,2]=4 30 B13R2.142 Cc1ccc(o1)Nc2cccs2 199500c507e6bf8482a127c817a30a99 [0,1,0,0,0,0|3,0,0]=4 31 B13R2.142 Cc1ccc(o1)Nc2ccsc2 b518d792f5e028123fd74eeb8da44192 [0,1,0,0,0,0|3,0,0]=4 32 B13R2.142 Cc1ncc(o1)CN2CC=CC2 4fe30424e945da2bc421855f63752fca [0,1,0,0,0,0|1,0,2]=4 33 B13R2.142 Clc1ccc(s1)CN2CC=CC2 cfa55be73cb936167a922922e7161f74 [0,1,0,0,0,0|0,1,2]=4 34 B13R2.142 O=C1CN(CN1)Cc2ccco2 0be169b9cc2ef972fee61662507c9f6b [0,1,0,0,0,0|1,0,2]=4 35 B13R2.142 O=c1occ(o1)CN2CC=CC2 dcfec7aa87a828f49789cdc17310c02c [0,1,0,0,0,0|1,0,2]=4 36 B13R2.674 O=C(c1ccco1)N2CC=CC2 65c69288e7f1f2900e3bd5b33a04ac77 [0,1,0,0,0,0|0,0,3]=4 37 B11R1.4 C/C=C/CNCc1ccc[nH]1 98d4206d55930f1d002e47573f048026 [0,0,1,0,0,0|1,0,2]=4 38 B11R1.4 C/C=C/CNCc1ccco1 a92c775b66466bd49a8ba62551fd49f8 [0,0,1,0,0,0|0,0,2]=3 39 B11R1.4 C/C=C/CNCc1cccs1 7f4c18978f395b69a1f6269a916c9e15 [0,0,1,0,0,0|0,1,2]=4 40 B11R1.4 C/C=C/CNCc1ccno1 09988cf8e695e368815c6fc5b48250dd [0,0,1,0,0,0|1,0,2]=4 41 B11R1.4 C/C=C/CNCc1cnco1 5f077557e2130106859415659af0c006 [0,0,1,0,0,0|1,0,2]=4 42 B11R1.4 C/C=C/CNCc1ncco1 6e28946bb12e9d17306d415083cb2e67 [0,0,1,0,0,0|1,0,2]=4 43 B11R1.4 C/C=C/COCc1ccco1 f7a261bfe859e3bd08e95dadff168e4a [0,0,1,0,0,0|1,0,2]=4 44 B11R1.4 C/C=C\CNCc1ccc[nH]1 05174d0779bab8116d50444aed9e3d68 [0,0,1,0,0,0|1,0,2]=4 45 B11R1.4 C/C=C\CNCc1ccco1 79a54e4612f304871852c814349e97ae [0,0,1,0,0,0|0,0,2]=3 46 B11R1.4 C/C=C\CNCc1cccs1 90ae977874f1093c22e37227e5f07811 [0,0,1,0,0,0|0,1,2]=4 47 B11R1.4 C/C=C\CNCc1ccno1 661ab9b2ae6cce19066966b4df47525c [0,0,1,0,0,0|1,0,2]=4 48 B11R1.4 C/C=C\CNCc1cnco1 9604be7b3f57017369abf7f79b0921e9 [0,0,1,0,0,0|1,0,2]=4 49 B11R1.4 C/C=C\CNCc1ncco1 ab3ff57004f46fce93b35b550436043f [0,0,1,0,0,0|1,0,2]=4 50 B11R1.4 C/C=C\COCc1ccco1 c8ed74f9d5b47be1362fc9a6f608013c [0,0,1,0,0,0|1,0,2]=4 51 B11R1.4 C=CCCNCc1ccc[nH]1 6643bd3e48fe6ee670dd1e9353dc3c9e [0,0,1,0,0,0|1,0,2]=4 52 B11R1.4 C=CCCNCc1ccco1 13aca1d67a11b327033b8c107220328c [0,0,1,0,0,0|0,0,2]=3 53 B11R1.4 C=CCCNCc1cccs1 d8987862b4d57535e9a587df6152f4a3 [0,0,1,0,0,0|0,1,2]=4 54 B11R1.4 C=CCCNCc1ccno1 6ad7f259da7b6e02e6bd28a266b14f6f [0,0,1,0,0,0|1,0,2]=4 55 B11R1.4 C=CCCNCc1cnco1 e74936ef92f565267750740cff44bb0e [0,0,1,0,0,0|1,0,2]=4 56 B11R1.4 C=CCCNCc1ncco1 12593923ae1df10dfa32e714e8544f3b [0,0,1,0,0,0|1,0,2]=4 57 B11R1.4 C=CCCOCc1ccco1 d2998d690d2d27fe2af16b12226cbcd1 [0,0,1,0,0,0|1,0,2]=4 58 B11R1.4 C=CCNCCc1ccco1 85512f2d00d8ac3b314c8ab8a62908ad [0,0,1,0,0,0|2,0,1]=4 59 B11R1.4 C=CCNCCn1cccc1 e9f747b117b9cdf19361a7dd9afe97e9 [0,0,1,0,0,0|1,0,2]=4 60 B11R1.4 C=CCOCCc1ccco1 77d62c49ccf9915f9bfdb87c59d08e4e [0,0,1,0,0,0|2,0,1]=4 61 B11R1.4 C=CCOCCn1cccc1 3c9adf56808da96aebe02f535d570f0b [0,0,1,0,0,0|0,0,2]=3 62 B11R1.4 C=CCOCCn1cccn1 8bb693555e9e930917965b290305285a [0,0,1,0,0,0|1,0,2]=4 63 B11R1.4 C=CCOCCn1ccnc1 80a2c0e3723c7d4eb82c9a8fa24a4b56 [0,0,1,0,0,0|1,0,2]=4 64 B11R1.4 CC=CCNCc1ccco1 93b0977547955daa12d9231035c95511 [0,0,1,0,0,0|0,0,2]=3 65 B11R1.4 CC=CCNCc1cccs1 264689ddcbf6542f395ea120d758e95a [0,0,1,0,0,0|0,1,2]=4 66 B11R1.4 CC=CCNCc1ccno1 10582f50c7d667073d3378a4e5ca49bc [0,0,1,0,0,0|1,0,2]=4 67 B11R1.4 CC=CCNCc1cnco1 927c656b61dcf8cd5a6893ea3a415f8c [0,0,1,0,0,0|1,0,2]=4 68 B11R1.4 CC=CCNCc1ncco1 8bc2a249f4dadd7c243304498e414151 [0,0,1,0,0,0|1,0,2]=4 69 B11R1.4 CC=CCOCc1ccco1 dc3cec4134945ebcad231e18b81cc5d3 [0,0,1,0,0,0|1,0,2]=4 70 B11R1.4 Cl/C=C/CNCc1ccc[nH]1 e6e090c605f1418295cdb1d31ef00265 [0,0,1,0,0,0|2,0,1]=4 71 B11R1.4 Cl/C=C/CNCc1ccco1 9ed621f31ee42a26f2b2fd995cbbe3f4 [0,0,1,0,0,0|1,0,1]=3 72 B11R1.4 Cl/C=C/CNCc1cccs1 a25b18b791d1982c9700f739a4f4f0a0 [0,0,1,0,0,0|1,1,1]=4 73 B11R1.4 Cl/C=C/CNCc1ccno1 d1da9b89c84eb558941d56f419d8e509 [0,0,1,0,0,0|2,0,1]=4 74 B11R1.4 Cl/C=C/CNCc1cnco1 712cf1dafd729971bb06d8c30f6aa30c [0,0,1,0,0,0|2,0,1]=4 75 B11R1.4 Cl/C=C/CNCc1ncco1 1d8f3c7dc7d59060d82724b440508832 [0,0,1,0,0,0|2,0,1]=4 76 B11R1.4 Cl/C=C/COCc1ccco1 8224c9d0f25287d9b889a6a22d324afb [0,0,1,0,0,0|2,0,1]=4 77 B11R1.4 Cl/C=C\CNCc1ccc[nH]1 f8f54c3b853fb063875a6be8eef443c7 [0,0,1,0,0,0|2,0,1]=4 78 B11R1.4 Cl/C=C\CNCc1ccco1 f80d60f40bca3528f20004e9e7f33d02 [0,0,1,0,0,0|1,0,1]=3 79 B11R1.4 Cl/C=C\CNCc1cccs1 69a529034fe8a7ae06825b38d49c113a [0,0,1,0,0,0|1,1,1]=4 80 B11R1.4 Cl/C=C\CNCc1ccno1 d8a49b45989960d3595cc11df86e1487 [0,0,1,0,0,0|2,0,1]=4 81 B11R1.4 Cl/C=C\CNCc1cnco1 97ea3170ee591e5a3eeb600e42eed205 [0,0,1,0,0,0|2,0,1]=4 82 B11R1.4 Cl/C=C\CNCc1ncco1 b57c04ed2af63791a8aefa7b8a3319b6 [0,0,1,0,0,0|2,0,1]=4 83 B11R1.4 Cl/C=C\COCc1ccco1 65dd97abdadea6c41fe9bda2383a2c26 [0,0,1,0,0,0|2,0,1]=4 84 B11R1.4 ClC=CCOCc1ccco1 60cb5ab2836ce31b1a0b0e8b49db7aa7 [0,0,1,0,0,0|2,0,1]=4 85 B11R1.4 O/C=C\CNCc1ccc[nH]1 cdc64afbe373c5ed509d1453f1588f9b [0,0,1,0,0,0|2,0,1]=4 86 B11R1.4 O/C=C\CNCc1ccco1 2c8153362798b4c1d1214ba32358792f [0,0,1,0,0,0|1,0,1]=3 87 B11R1.4 O/C=C\CNCc1cccs1 1a824045f55a5417e73244e162f6f911 [0,0,1,0,0,0|1,1,1]=4 88 B11R1.4 O/C=C\CNCc1ccno1 a6080fdba40e51310007ee8a0117d002 [0,0,1,0,0,0|2,0,1]=4 89 B11R1.4 O/C=C\CNCc1cnco1 c08485a60e99f9abb823ce7e4a33565e [0,0,1,0,0,0|2,0,1]=4 90 B11R1.4 O/C=C\CNCc1ncco1 63b2c0f894e5517d4ba83309d05c34ec [0,0,1,0,0,0|2,0,1]=4 91 B11R1.4 O=CCCNCc1ccco1 280d6ec06c403b836f32a53c0ffb04b1 [0,0,1,0,0,0|1,0,2]=4 92 B11R1.4 O=CCOCCn1cccc1 376a3e9432fe2996aba6641b9190d348 [0,0,1,0,0,0|1,0,2]=4 93 B11R1.30 C=CCN(C)Cc1ccc[nH]1 253f3cccd0075bf4408e1b619c11558d [0,0,1,0,0,0|1,0,2]=4 94 B11R1.30 C=CCN(C)Cc1ccco1 e867b637241bf85a47590d481f6a8281 [0,0,1,0,0,0|0,0,2]=3 95 B11R1.30 C=CCN(C)Cc1cccs1 275b9e7cf7c9fa6ba2faf31a006fd69b [0,0,1,0,0,0|0,1,2]=4 96 B11R1.30 C=CCN(C)Cc1ccno1 4bc72b0d53b6b877d5794214ddeda1b6 [0,0,1,0,0,0|1,0,2]=4 97 B11R1.30 C=CCN(C)Cc1cnco1 9448c4a130dfe365f317304f825181d9 [0,0,1,0,0,0|1,0,2]=4 98 B11R1.30 C=CCN(C)Cc1ncco1 187e2cff0043ea5dfcaba888db456341 [0,0,1,0,0,0|1,0,2]=4 99 B11R1.30 C=COC(=O)CN1CC=CC1 8fda7d484283c1027bb324b5cf94b901 [0,0,1,0,0,0|1,0,2]=4 100 B11R1.30 CN(CC=O)Cc1ccco1 d50f50c9a4477c3a85aa4a47080e9071 [0,0,1,0,0,0|1,0,2]=4 101 B11R1.84 CCN(C=O)Cc1ccco1 decbc418bb836e71037a67968583093c [0,0,1,0,0,0|1,0,2]=4 102 B11R2.2 c1c[nH]c(c1)c2ccco2 ae6675bfe932151eabba385aa4e73f90 [0,0,0,0,1,0|2,0,0]=3 103 B11R2.2 c1c[nH]c(c1)c2cccs2 5d3613a4778c569ae9c65b99f583e2e2 [0,0,0,0,1,0|2,1,0]=4 104 B11R2.2 c1c[nH]c(c1)c2ccno2 385c0f75f6e8a8e333c03581e00247bf [0,0,0,0,1,0|3,0,0]=4 105 B11R2.2 c1c[nH]c(c1)c2ccoc2 801c44d1aa81057a6108019359ae880a [0,0,0,0,1,0|3,0,0]=4 106 B11R2.2 c1c[nH]c(c1)c2ccsc2 b87934757a9be55f7e25d2b0d4db33fe [0,0,0,0,1,0|3,0,0]=4 107 B11R2.2 c1c[nH]c(c1)c2ncco2 665cc553535f01c892ead094f4a6b1e3 [0,0,0,0,1,0|3,0,0]=4 108 B11R2.2 c1cc(c[nH]1)c2cnco2 3410a40c188192019fd431c245f45cda [0,0,0,0,1,0|3,0,0]=4 109 B11R2.2 c1cc(co1)c2cnco2 909b0ea0aab72374cdf82bb1dde65e31 [0,0,0,0,1,0|3,0,0]=4 110 B11R2.2 c1cc(on1)c2cc[nH]c2 c4727a7261c7534559013513605e2455 [0,0,0,0,1,0|3,0,0]=4 111 B11R2.2 c1cc(on1)c2ccoc2 7f7acb1620678b941b1f79286292e8e7 [0,0,0,0,1,0|3,0,0]=4 112 B11R2.2 c1cc(on1)c2ccsc2 fbfede3e779f1e0924fe3f41658673d4 [0,0,0,0,1,0|3,0,0]=4 113 B11R2.2 c1ccn(c1)c2ccns2 6eaea84d4bb1f4070f166a2ee19b5ca1 [0,0,0,0,1,0|1,1,0]=3 114 B11R2.2 c1ccn(c1)c2ccsc2 f36bcf16b9278b61ca228d36a650a433 [0,0,0,0,1,0|2,0,0]=3 115 B11R2.2 c1ccn(c1)c2cnsc2 d5f7a0c58ccafd1cac2b3b1779f41a7b [0,0,0,0,1,0|3,0,0]=4 116 B11R2.2 c1ccn(c1)c2csnn2 fb5b0a70462b9e96357ffca7e5c861f4 [0,0,0,0,1,0|3,0,0]=4 117 B11R2.2 c1ccn(c1)c2nnco2 3b40401713060240d8d047d71d037eb4 [0,0,0,0,1,0|2,0,0]=3 118 B11R2.2 c1cn(cn1)c2ccns2 27411988bab3e141a480a07c0ad64cdf [0,0,0,0,1,0|2,1,0]=4 119 B11R2.2 c1cn(cn1)c2ccsc2 8b71ee7fb11bd9786b793470a4272e36 [0,0,0,0,1,0|3,0,0]=4 120 B11R2.2 c1cn(cn1)c2nnco2 939640d2c9133e12fcb1bff347af9fa0 [0,0,0,0,1,0|3,0,0]=4 121 B11R2.2 c1cn(nn1)c2ncco2 c92e8cad1586e0f64c154ebe4832d2f7 [0,0,0,0,1,0|3,0,0]=4 122 B11R2.2 c1cnn(c1)c2ccns2 206f1f842571be2d493db901e59fca13 [0,0,0,0,1,0|2,1,0]=4 123 B11R2.2 c1cnn(c1)c2ccsc2 cc6554f3b0858f6abcc958b6f8b27a4d [0,0,0,0,1,0|3,0,0]=4 124 B11R2.2 c1coc(c1)c2c[nH]cn2 c4b64d459d99899a0bfb0aa736e3ab18 [0,0,0,0,1,0|3,0,0]=4 125 B11R2.2 c1coc(c1)c2cc[nH]c2 73c188af869c84b9fc13f54dcfdb4a6c [0,0,0,0,1,0|2,0,0]=3 126 B11R2.2 c1coc(c1)c2cc[nH]n2 f97f19dae96a76ff5a9d7cf8774a3f8a [0,0,0,0,1,0|3,0,0]=4 127 B11R2.2 c1coc(c1)c2ccco2 ecf166f7352e9a4efafb1cecc1f67542 [0,0,0,0,1,0|2,0,0]=3 128 B11R2.2 c1coc(c1)c2cccs2 4abac38f2c88f9a9da5743d9e634fd9c [0,0,0,0,1,0|2,0,0]=3 129 B11R2.2 c1coc(c1)c2ccno2 cb194f1b22fc087a2ed239f8376f82f0 [0,0,0,0,1,0|3,0,0]=4 130 B11R2.2 c1coc(c1)c2ccns2 6917c371e9f96aabfd63364a1c1ba3c5 [0,0,0,0,1,0|3,0,0]=4 131 B11R2.2 c1coc(c1)c2ccoc2 82bb8cb679033fe85161e79e255d1507 [0,0,0,0,1,0|2,0,0]=3 132 B11R2.2 c1coc(c1)c2ccon2 aa2f8ee10f476830b03de2836a4a2fb0 [0,0,0,0,1,0|3,0,0]=4 133 B11R2.2 c1coc(c1)c2ccsc2 d6bdeaa78472d76a72f72b9a04287a8c [0,0,0,0,1,0|2,0,0]=3 134 B11R2.2 c1coc(c1)c2ccsn2 d4fadcf6e4f8a7967e698fddeb134462 [0,0,0,0,1,0|3,0,0]=4 135 B11R2.2 c1coc(c1)c2cn[nH]c2 86a9c361c10112a239fb74e6cb00b442 [0,0,0,0,1,0|3,0,0]=4 136 B11R2.2 c1coc(c1)c2cnco2 ccebec88fc2b8401c138a69ac9152c43 [0,0,0,0,1,0|3,0,0]=4 137 B11R2.2 c1coc(c1)c2cncs2 9df0c1086134789cdf3bd82bb337e4fe [0,0,0,0,1,0|3,0,0]=4 138 B11R2.2 c1coc(c1)c2cnoc2 418604a2b95e473f8de919cd34c394e7 [0,0,0,0,1,0|3,0,0]=4 139 B11R2.2 c1coc(c1)c2cnsc2 97847cc3e2c4de19359e212b6a55584e [0,0,0,0,1,0|3,0,0]=4 140 B11R2.2 c1coc(c1)c2cocn2 ddbcf04afbacc8a5efa21081e78b1bec [0,0,0,0,1,0|3,0,0]=4 141 B11R2.2 c1coc(c1)c2cscn2 085070a50398d58bf9a4aac201df5bf7 [0,0,0,0,1,0|3,0,0]=4 142 B11R2.2 c1coc(c1)c2ncc[nH]2 00b2568781d20649989b51322b8d8470 [0,0,0,0,1,0|3,0,0]=4 143 B11R2.2 c1coc(c1)c2ncco2 deafd120d01c1fe646718ec81fe6b945 [0,0,0,0,1,0|3,0,0]=4 144 B11R2.2 c1coc(c1)c2nccs2 fe05a87d45e4491b093f65b5a1210cba [0,0,0,0,1,0|3,0,0]=4 145 B11R2.2 c1coc(c1)n2cccc2 dc2f173f615688a382c0c0caafd2feff [0,0,0,0,1,0|0,0,0]=1 146 B11R2.2 c1coc(c1)n2cccn2 a86c74824081a9e754b4ff584cf47b75 [0,0,0,0,1,0|1,0,0]=2 147 B11R2.2 c1coc(c1)n2ccnc2 7b9fee2c209c28e66ab84ce349b2b183 [0,0,0,0,1,0|1,0,0]=2 148 B11R2.2 c1coc(c1)n2ccnn2 f13425317ae6c51dfa8f917910bb0707 [0,0,0,0,1,0|2,0,0]=3 149 B11R2.2 c1coc(n1)c2cc[nH]c2 811a397af212f25fae62676f9092a205 [0,0,0,0,1,0|3,0,0]=4 150 B11R2.2 c1coc(n1)c2ccoc2 cce6fd02a5f5311e2b1f34d8f9dbe6aa [0,0,0,0,1,0|3,0,0]=4 151 B11R2.2 c1coc(n1)c2ccsc2 8ef91cb306410cb86a3329db5cabeef3 [0,0,0,0,1,0|3,0,0]=4 152 B11R2.2 c1csc(c1)c2cc[nH]c2 42970a0a1befc13709bfabd1a8f97b9d [0,0,0,0,1,0|2,1,0]=4 153 B11R2.2 c1csc(c1)c2cccs2 cbfbdfaee3330d077d7db81b2596f862 [0,0,0,0,1,0|2,1,0]=4 154 B11R2.2 c1csc(c1)c2ccno2 a655e78f1bf41d895fd338067dfacdcd [0,0,0,0,1,0|3,0,0]=4 155 B11R2.2 c1csc(c1)c2ccoc2 8d6335c5d2accd1b6468ff80b8cf6a52 [0,0,0,0,1,0|2,1,0]=4 156 B11R2.2 c1csc(c1)c2ccsc2 b67c98a0c61661ccb95381ea86d6b249 [0,0,0,0,1,0|2,1,0]=4 157 B11R2.2 c1csc(c1)c2cnco2 3c9c52b877616ef603bd8ef8baacc81c [0,0,0,0,1,0|3,0,0]=4 158 B11R2.2 c1csc(c1)c2ncco2 04bf640b519431ffb9c848effea254ea [0,0,0,0,1,0|3,0,0]=4 159 B11R2.2 c1ncc(o1)c2ccsc2 7ead5345878ffb0c992de56f4b887fad [0,0,0,0,1,0|3,0,0]=4 160 B11R2.237 c1coc(c1)CN2CCC2 3e50eaf83d3960c7b6f520b714cdd595 [0,0,0,0,1,0|0,0,3]=4 161 B13R2.64 C1=CCN(C1)Cc2ccccc2 ee2975243e10999a4eebf03086851021 [0,0,0,0,0,1|1,0,2]=4 162 B13R2.64 C1=CCN(C1)Cc2ccccn2 62676026d04f957279463f78318ce51b [0,0,0,0,0,1|1,0,2]=4 163 B13R2.64 C1=CCN(C1)Cc2cccnc2 15bce397a0c83969235b8f60dcd6a0ad [0,0,0,0,0,1|1,0,2]=4 164 B13R2.64 C1=CCN(C1)Cc2cccnn2 cc12594e50b8dcf24cfa8bf137fc47df [0,0,0,0,0,1|1,0,2]=4 165 B13R2.64 C1=CCN(C1)Cc2ccncn2 78fc1ad98db195b167fe2ba9cfd942ca [0,0,0,0,0,1|1,0,2]=4 166 B13R2.64 C1=CCN(C1)Cc2ncccn2 fade16aca8dd4164f91dec82c4b098e5 [0,0,0,0,0,1|1,0,2]=4 167 B13R2.64 C1=CCN(CC1)Cc2ccco2 d940f0dffd6c743a541ae4f1dbb65bc6 [0,0,0,0,0,1|0,0,2]=3 168 B13R2.64 C1=CCN(CC1)Cc2cccs2 43ee1f279b4e9dc6ed844941d7cd212b [0,0,0,0,0,1|0,1,2]=4 169 B13R2.64 C1=CCN(CC1)Cc2ccno2 0b9de75be291ad5ff02240c619b9817c [0,0,0,0,0,1|1,0,2]=4 170 B13R2.64 C1=CCN(CC1)Cc2cnco2 75e8f7ed326fbf9703e80e826d57a5e8 [0,0,0,0,0,1|1,0,2]=4 171 B13R2.64 C1=CCN(CC1)Cc2ncco2 9b3c291c45feb8e2298e4b73e89e410d [0,0,0,0,0,1|1,0,2]=4 172 B13R2.64 c1cc(ccn1)Nc2ccno2 139d3565f82b4ba5fd894c786763d471 [0,0,0,0,0,1|3,0,0]=4 173 B13R2.64 c1cc(ccn1)Nc2ncco2 20b8942c70564c2333bdd5593c689182 [0,0,0,0,0,1|3,0,0]=4 174 B13R2.64 c1ccc(cc1)Nc2cccs2 a2d9e6ad5e56a47b01230546f57e68fc [0,0,0,0,0,1|2,1,0]=4 175 B13R2.64 c1ccc(cc1)Nc2ccno2 3a2379e4b8aeccb4c04e9f1b52e56083 [0,0,0,0,0,1|3,0,0]=4 176 B13R2.64 c1ccc(cc1)Nc2ncco2 c2b4f26b61fe52b419291f8416eb09f9 [0,0,0,0,0,1|3,0,0]=4 177 B13R2.64 c1ccc(nc1)Nc2cccs2 6eb1a73f92727bedc3f388f71149c080 [0,0,0,0,0,1|2,1,0]=4 178 B13R2.64 c1ccc(nc1)Nc2ccno2 eb1fc08d3e6ebddcfc412ef23bcbd819 [0,0,0,0,0,1|3,0,0]=4 179 B13R2.64 c1cnc(nc1)Nc2ccco2 db70e3de822a45d6734eb2b1d2d02a06 [0,0,0,0,0,1|3,0,0]=4 180 B13R2.64 c1cncc(c1)Nc2ccco2 0d102ebe373200e7078958a8a98a1579 [0,0,0,0,0,1|2,0,0]=3 181 B13R2.64 c1cncc(c1)Nc2cccs2 5d7cce880a321c04af8c8054b99bee56 [0,0,0,0,0,1|2,1,0]=4 182 B13R2.64 c1cncc(c1)Nc2ccno2 a045a84d8ee8d1dac90c4863f78fe038 [0,0,0,0,0,1|3,0,0]=4 183 B13R2.64 c1coc(c1)Nc2ccncc2 1a7ca4ddda48fc91164fca1b2104e5fb [0,0,0,0,0,1|2,0,0]=3 184 B13R2.64 c1csc(c1)Nc2ccncc2 f04a4112e0aace6b5c61c69886e823ae [0,0,0,0,0,1|2,1,0]=4 185 B13R2.183 C1=CC(CC1)OCc2ccco2 4cb5964549afdc2e6d2e42bfee849faf [0,0,0,0,0,1|1,0,2]=4 186 B13R2.183 C1=CCC(C1)CNc2ccco2 81b41bf4b12bff6eca51607c23775247 [0,0,0,0,0,1|1,0,2]=4 187 B13R2.183 C1=CCC(C1)COc2ccco2 97b9aff96755211cd36648caeacb959e [0,0,0,0,0,1|1,0,2]=4 188 B13R2.183 C1=CCC(C1)NCc2ccco2 12bff5f780912a3770b06a8a3e11ea41 [0,0,0,0,0,1|1,0,2]=4 189 B13R2.183 C1=CCC(C1)OCc2ccco2 16d06cc1775220a1361fef6e8f50a586 [0,0,0,0,0,1|1,0,2]=4 190 B13R2.183 C1=CCN(C1)CCc2cccs2 8c4876a480b0402ffca2859c1fc5eae9 [0,0,0,0,0,1|0,1,2]=4 191 B13R2.183 C1=CCN(C1)CCn2cccc2 2f2556996a42a53220403966971c8b22 [0,0,0,0,0,1|2,0,1]=4 192 B13R2.183 c1c[nH]c(c1)CNc2ccco2 52987a20c46ba73f54a499f327a811ae [0,0,0,0,0,1|2,0,0]=3 193 B13R2.183 c1c[nH]c(c1)CNc2cccs2 fdd658cc3693e182c582abaca66ac7b2 [0,0,0,0,0,1|2,1,0]=4 194 B13R2.183 c1c[nH]c(c1)CNc2ccno2 abf4c50ebc34b3c9ac88485e4043c6d4 [0,0,0,0,0,1|3,0,0]=4 195 B13R2.183 c1c[nH]c(c1)CNc2ccoc2 54df1ea90cb9e3125fc9d515eef98296 [0,0,0,0,0,1|3,0,0]=4 196 B13R2.183 c1c[nH]c(c1)CNc2ccsc2 d69596d111f53b58e36d3e5b3cfaed92 [0,0,0,0,0,1|3,0,0]=4 197 B13R2.183 c1c[nH]c(c1)CNc2ncco2 31c2eb8adc4f56884d16befbdc70b8a8 [0,0,0,0,0,1|3,0,0]=4 198 B13R2.183 c1cc(co1)NCc2cnco2 aad6c0f59ad20cc4abd409f031eb8264 [0,0,0,0,0,1|3,0,0]=4 199 B13R2.183 c1cc(on1)CNc2ccoc2 2b65a1fe1833c8ef405cd95c136f5c70 [0,0,0,0,0,1|3,0,0]=4 200 B13R2.183 c1cc(on1)CNc2ccsc2 335bac55610fe98f2df3c6bccc1f8134 [0,0,0,0,0,1|3,0,0]=4 201 B13R2.183 c1cc(on1)COc2ccsc2 6add730189eb22b4032d87835cae8981 [0,0,0,0,0,1|3,0,0]=4 202 B13R2.183 c1cc(on1)NCc2cc[nH]c2 6a1f4969dc3d1f59c466759884e9275d [0,0,0,0,0,1|3,0,0]=4 203 B13R2.183 c1cc(on1)NCc2ccsc2 0d18b21f71c1b7f8d6c0ba9c8954b84e [0,0,0,0,0,1|3,0,0]=4 204 B13R2.183 c1cc(on1)NCn2cncn2 ee11694bbe35428a81bdfc16fd6b8962 [0,0,0,0,0,1|3,0,0]=4 205 B13R2.183 c1cc(on1)NCn2nccn2 4517aa14d2430a35e09472b0b22b3f4e [0,0,0,0,0,1|3,0,0]=4 206 B13R2.183 c1cn(cn1)OCc2ccno2 94509c8137ef8a5dfddac31cfb0c2391 [0,0,0,0,0,1|2,0,0]=3 207 B13R2.183 c1cn(cn1)OCc2ccon2 65ecf1c4272571a31a3845d49c0cd8b1 [0,0,0,0,0,1|3,0,0]=4 208 B13R2.183 c1cn(cn1)OCc2ccsc2 18c9100c4848cf0fdf401ab3c1392ab7 [0,0,0,0,0,1|3,0,0]=4 209 B13R2.183 c1cn(cn1)OCc2cnc[nH]2 1723ec367e060ccd57c0a21bb5109a8b [0,0,0,0,0,1|3,0,0]=4 210 B13R2.183 c1cn(cn1)OCc2cnco2 2835ca824549d2c89417d6207e203764 [0,0,0,0,0,1|2,0,0]=3 211 B13R2.183 c1cn(cn1)OCc2cocn2 c957e67da3c7baa0e736cd39f629b8ec [0,0,0,0,0,1|3,0,0]=4 212 B13R2.183 c1cn(cn1)OCc2cscn2 ade414d484173901dd90fca3568f255e [0,0,0,0,0,1|3,0,0]=4 213 B13R2.183 c1cn(cn1)OCc2ncc[nH]2 385d27ca916a45bfa44eb3967a0e32e4 [0,0,0,0,0,1|3,0,0]=4 214 B13R2.183 c1cn(cn1)OCc2ncco2 ed5d18acd3f530017b16b6d04194b00d [0,0,0,0,0,1|2,0,0]=3 215 B13R2.183 c1cn(cn1)OCc2nccs2 0d2b67c20b5f4bf2c6ff1ae3628e30aa [0,0,0,0,0,1|2,1,0]=4 216 B13R2.183 c1cn(cn1)OCc2ncno2 ac614ce62dfde9bca9921b7efea98dbd [0,0,0,0,0,1|3,0,0]=4 217 B13R2.183 c1cn(cn1)OCc2nnco2 dc5298b76578147388c266b003fa7746 [0,0,0,0,0,1|3,0,0]=4 218 B13R2.183 c1cnn(c1)OCc2ccno2 8bd7288f06c99398e58d456a30bb1d1c [0,0,0,0,0,1|2,0,0]=3 219 B13R2.183 c1cnn(c1)OCc2ccon2 7c39f83326bd5793f39131a110e2680e [0,0,0,0,0,1|3,0,0]=4 220 B13R2.183 c1cnn(c1)OCc2ccsc2 b24718d2a431c7ade62ff3264d3a59a5 [0,0,0,0,0,1|3,0,0]=4 221 B13R2.183 c1cnn(c1)OCc2cnc[nH]2 9fe9b96b815aaa738e4959f744e59169 [0,0,0,0,0,1|3,0,0]=4 222 B13R2.183 c1cnn(c1)OCc2cnco2 6c6e34db23f107f5e53f108eb76a623f [0,0,0,0,0,1|2,0,0]=3 223 B13R2.183 c1cnn(c1)OCc2cocn2 c58aff839b87a0a0a927ab91f96a67cf [0,0,0,0,0,1|3,0,0]=4 224 B13R2.183 c1cnn(c1)OCc2cscn2 81bf38d3db614215fdc060130f79e14a [0,0,0,0,0,1|3,0,0]=4 225 B13R2.183 c1cnn(c1)OCc2ncc[nH]2 e555b44199b5054ba9130e363f2085b5 [0,0,0,0,0,1|3,0,0]=4 226 B13R2.183 c1cnn(c1)OCc2ncco2 b12d756fc42d985dae75aa791e29b54e [0,0,0,0,0,1|2,0,0]=3 227 B13R2.183 c1cnn(c1)OCc2nccs2 62e710e982bb0482d5e284a0b37ad7fc [0,0,0,0,0,1|2,1,0]=4 228 B13R2.183 c1cnn(c1)OCc2ncno2 d4b5a3eb5e23d6f3cd525fed18958a90 [0,0,0,0,0,1|3,0,0]=4 229 B13R2.183 c1cnn(c1)OCc2nnco2 f81db331af8ce774f3ad704435ce5dcb [0,0,0,0,0,1|3,0,0]=4 230 B13R2.183 c1coc(c1)CNc2c[nH]cn2 7853ff53948d067e3f34dfeb7e3ada23 [0,0,0,0,0,1|3,0,0]=4 231 B13R2.183 c1coc(c1)CNc2cc[nH]n2 6702131b0575058b6033f3ae963e3a5f [0,0,0,0,0,1|3,0,0]=4 232 B13R2.183 c1coc(c1)CNc2ccco2 b6244c563416b2ba52bdbbe1db64e345 [0,0,0,0,0,1|2,0,0]=3 233 B13R2.183 c1coc(c1)CNc2cccs2 d5b07e6ae9e82c7c2c778b2beca37470 [0,0,0,0,0,1|2,0,0]=3 234 B13R2.183 c1coc(c1)CNc2ccno2 435f84deb52f748b1b794b3694eeea42 [0,0,0,0,0,1|3,0,0]=4 235 B13R2.183 c1coc(c1)CNc2ccns2 bd6848f884dc5082a56297fa9e3bbd2d [0,0,0,0,0,1|3,0,0]=4 236 B13R2.183 c1coc(c1)CNc2ccoc2 11152a61c2197abefe513cc0e6abd79e [0,0,0,0,0,1|2,0,0]=3 237 B13R2.183 c1coc(c1)CNc2ccon2 f19dff04ffd5f860eefe8c9b99f80b0b [0,0,0,0,0,1|3,0,0]=4 238 B13R2.183 c1coc(c1)CNc2ccsc2 7145d6efdefd003622c166eaff047733 [0,0,0,0,0,1|2,0,0]=3 239 B13R2.183 c1coc(c1)CNc2ccsn2 4037b218b5caf54f0214608283a194b4 [0,0,0,0,0,1|3,0,0]=4 240 B13R2.183 c1coc(c1)CNc2cn[nH]c2 fcabbbc72596ab9d4730256f6b358a7f [0,0,0,0,0,1|3,0,0]=4 241 B13R2.183 c1coc(c1)CNc2cncs2 0cd4808f37b210323f46e1716356da8a [0,0,0,0,0,1|3,0,0]=4 242 B13R2.183 c1coc(c1)CNc2cnoc2 2139627fbf1482c13eff794a9d7d1b4c [0,0,0,0,0,1|3,0,0]=4 243 B13R2.183 c1coc(c1)CNc2cnsc2 9abe6ea20a38b1210cb59f1de06a417f [0,0,0,0,0,1|3,0,0]=4 244 B13R2.183 c1coc(c1)CNc2cocn2 e52848c2d2ad35c642041a855209f0aa [0,0,0,0,0,1|3,0,0]=4 245 B13R2.183 c1coc(c1)CNc2cscn2 b33adc8c884d18aa84c1750cb13db754 [0,0,0,0,0,1|3,0,0]=4 246 B13R2.183 c1coc(c1)CNc2ncc[nH]2 ca859b68e2a7cf52567eaa67ab64c9ed [0,0,0,0,0,1|3,0,0]=4 247 B13R2.183 c1coc(c1)CNc2ncco2 7672bae290f8a4ba5afbd9037d9b4747 [0,0,0,0,0,1|3,0,0]=4 248 B13R2.183 c1coc(c1)CNc2nccs2 8434aaf01b37e866f27053ea95666e68 [0,0,0,0,0,1|3,0,0]=4 249 B13R2.183 c1coc(c1)COc2c[nH]cn2 d5c06168a95f5a7c72d4279e4b20f397 [0,0,0,0,0,1|3,0,0]=4 250 B13R2.183 c1coc(c1)COc2ccco2 5c3f4f26dcbbb136c0d2f98a8c4f99e6 [0,0,0,0,0,1|2,0,0]=3 251 B13R2.183 c1coc(c1)COc2cccs2 c19e074b21ccf0d97d8786b736b031dc [0,0,0,0,0,1|2,0,0]=3 252 B13R2.183 c1coc(c1)COc2ccn[nH]2 2e4d58d181715b04176a4dec57905f07 [0,0,0,0,0,1|3,0,0]=4 253 B13R2.183 c1coc(c1)COc2ccsc2 15f3162aa5505f8bffc0733f22f3481f [0,0,0,0,0,1|2,0,0]=3 254 B13R2.183 c1coc(c1)COc2cn[nH]c2 35e264ba77189849b403427567d928af [0,0,0,0,0,1|3,0,0]=4 255 B13R2.183 c1coc(c1)COc2cnoc2 60f918d7599ebd065f460e09aaae34c0 [0,0,0,0,0,1|3,0,0]=4 256 B13R2.183 c1coc(c1)COc2nccs2 ea859726faae0b2430a4f242d9291fe1 [0,0,0,0,0,1|3,0,0]=4 257 B13R2.183 c1coc(c1)COn2cccn2 9dd282405d86abdbab2cb6b14ea91a6f [0,0,0,0,0,1|1,0,0]=2 258 B13R2.183 c1coc(c1)COn2ccnc2 170011e62dd8a822f98022b3092fa9c4 [0,0,0,0,0,1|1,0,0]=2 259 B13R2.183 c1coc(c1)NCc2cc[nH]c2 ca7110f7f22f2d4676c69c8314d31248 [0,0,0,0,0,1|2,0,0]=3 260 B13R2.183 c1coc(c1)NCc2cccs2 64d2a85007975094510401acbfd363fe [0,0,0,0,0,1|2,0,0]=3 261 B13R2.183 c1coc(c1)NCc2ccn[nH]2 000fdeeaf947e6935a73998ba2d5a0c4 [0,0,0,0,0,1|3,0,0]=4 262 B13R2.183 c1coc(c1)NCc2ccno2 a24c1ef31dce495c80c0c7bd3cac8015 [0,0,0,0,0,1|3,0,0]=4 263 B13R2.183 c1coc(c1)NCc2ccns2 b0640c3988686af425cda023d451f6cb [0,0,0,0,0,1|3,0,0]=4 264 B13R2.183 c1coc(c1)NCc2ccoc2 a67438cc6f15ade35ed669cd3ebf102f [0,0,0,0,0,1|2,0,0]=3 265 B13R2.183 c1coc(c1)NCc2ccon2 cf5181d01397a388008df52390563f9b [0,0,0,0,0,1|3,0,0]=4 266 B13R2.183 c1coc(c1)NCc2ccsc2 a5ae52bf85ae857e457e52493c84ebb4 [0,0,0,0,0,1|2,0,0]=3 267 B13R2.183 c1coc(c1)NCc2ccsn2 16bef487bb584ee5409d836d3504a79a [0,0,0,0,0,1|3,0,0]=4 268 B13R2.183 c1coc(c1)NCc2cn[nH]c2 5782e67f46597c5ec75e9784df60aad2 [0,0,0,0,0,1|3,0,0]=4 269 B13R2.183 c1coc(c1)NCc2cnco2 7b7f2a2e1ca4a6c08fe0bfd8f6d4c8ba [0,0,0,0,0,1|3,0,0]=4 270 B13R2.183 c1coc(c1)NCc2cnoc2 9ee042a1274b41a8707b3a0981b32396 [0,0,0,0,0,1|3,0,0]=4 271 B13R2.183 c1coc(c1)NCc2cocn2 aacf4fa400782050338b7eaa98b94ab8 [0,0,0,0,0,1|3,0,0]=4 272 B13R2.183 c1coc(c1)NCc2cscn2 fac1e04f2dd16db92e743a8d471b0869 [0,0,0,0,0,1|3,0,0]=4 273 B13R2.183 c1coc(c1)NCc2ncc[nH]2 41ac894b7bb7e6d31ed21ad8b47632bd [0,0,0,0,0,1|3,0,0]=4 274 B13R2.183 c1coc(c1)NCc2ncco2 9b202bfd42458abd9cf6165748bf82b8 [0,0,0,0,0,1|3,0,0]=4 275 B13R2.183 c1coc(c1)NCc2nccs2 56bd5997be06066577a49fa9ddbe8c21 [0,0,0,0,0,1|3,0,0]=4 276 B13R2.183 c1coc(c1)OCc2cccs2 845317cc7eed91b52a57f626cabb9d6c [0,0,0,0,0,1|2,0,0]=3 277 B13R2.183 c1coc(c1)OCc2ccno2 fea4f032577c918b0ee6680aff77ac2c [0,0,0,0,0,1|3,0,0]=4 278 B13R2.183 c1coc(c1)OCc2ccon2 9ee67acfeefc5392983736cfc684ca1b [0,0,0,0,0,1|3,0,0]=4 279 B13R2.183 c1coc(c1)OCc2ccsc2 a8c4820e25abc11997427e91940c758f [0,0,0,0,0,1|2,0,0]=3 280 B13R2.183 c1coc(c1)OCc2cnc[nH]2 87ea3b1217fd2c27125e7503b2fb1c62 [0,0,0,0,0,1|3,0,0]=4 281 B13R2.183 c1coc(c1)OCc2cnco2 d153cbc990fae49d57b0100644f535f1 [0,0,0,0,0,1|3,0,0]=4 282 B13R2.183 c1coc(c1)OCc2cnoc2 e1037bfa6b5a2f2f889b29064ccbe524 [0,0,0,0,0,1|3,0,0]=4 283 B13R2.183 c1coc(c1)OCc2cocn2 ab35e713806f20c97bb232947df3742f [0,0,0,0,0,1|3,0,0]=4 284 B13R2.183 c1coc(c1)OCc2cscn2 034e1c7fc922b170caa486a372f8b5ac [0,0,0,0,0,1|3,0,0]=4 285 B13R2.183 c1coc(c1)OCc2ncc[nH]2 f10238f19c34b27e44ee0817232cf420 [0,0,0,0,0,1|3,0,0]=4 286 B13R2.183 c1coc(c1)OCc2ncco2 6b62c46dbf41f28ea9159c9fe2c4b680 [0,0,0,0,0,1|3,0,0]=4 287 B13R2.183 c1coc(c1)OCc2nccs2 8d5d31423265bb24bf983907eb96ef44 [0,0,0,0,0,1|3,0,0]=4 288 B13R2.183 c1coc(c1)OCn2cncn2 a0060479666999e75141372ac1dad7c7 [0,0,0,0,0,1|2,0,0]=3 289 B13R2.183 c1coc(c1)OCn2nccn2 70a6364d8c4ac7c893f11f8e11fc28f4 [0,0,0,0,0,1|2,0,0]=3 290 B13R2.183 c1coc(n1)CNc2ccoc2 a0f90a5752bb2b47d3233d4f3f53701a [0,0,0,0,0,1|3,0,0]=4 291 B13R2.183 c1coc(n1)CNc2ccsc2 acccb64527f5e89a6cc3be1260eeb99b [0,0,0,0,0,1|3,0,0]=4 292 B13R2.183 c1coc(n1)COc2ccsc2 59a67c8eba3b74cd3bae83bfd14259d7 [0,0,0,0,0,1|3,0,0]=4 293 B13R2.183 c1coc(n1)NCc2cc[nH]c2 1efa6e3531a32286ce16e3349ee10820 [0,0,0,0,0,1|3,0,0]=4 294 B13R2.183 c1coc(n1)NCc2ccoc2 829c0e8448fa54c40d368867fa466651 [0,0,0,0,0,1|3,0,0]=4 295 B13R2.183 c1coc(n1)NCc2ccsc2 cdbfb36137a00239cfb2731f586f2efe [0,0,0,0,0,1|3,0,0]=4 296 B13R2.183 c1coc(n1)NCn2cncn2 876d167e387aac16875dac705bb6c213 [0,0,0,0,0,1|3,0,0]=4 297 B13R2.183 c1coc(n1)NCn2nccn2 3aba41f657ef5a6ca34e743e0c929bc3 [0,0,0,0,0,1|3,0,0]=4 298 B13R2.183 c1csc(c1)CNc2cccs2 386acaa0e8cc9e7000b4cd0df6de4da5 [0,0,0,0,0,1|2,1,0]=4 299 B13R2.183 c1csc(c1)CNc2ccno2 ab01daf77fc42443b2c492be0b351d21 [0,0,0,0,0,1|3,0,0]=4 300 B13R2.183 c1csc(c1)CNc2ccoc2 dfcd327546179025ad40edaedb4ffa23 [0,0,0,0,0,1|2,1,0]=4 301 B13R2.183 c1csc(c1)CNc2ccsc2 12da7b957ae2e888083c20240d24e89d [0,0,0,0,0,1|2,1,0]=4 302 B13R2.183 c1csc(c1)CNc2ncco2 6c6b166217d897904466834002f7378f [0,0,0,0,0,1|3,0,0]=4 303 B13R2.183 c1csc(c1)COc2cccs2 4d0f88e6b036bffefa559de911880c32 [0,0,0,0,0,1|2,1,0]=4 304 B13R2.183 c1csc(c1)COc2ccsc2 c8bbfe4e3cbfa25ff8de1606b872b3f1 [0,0,0,0,0,1|2,1,0]=4 305 B13R2.183 c1csc(c1)COn2cccn2 1f748e8c1f0aa13554ccbf1be2c95ba8 [0,0,0,0,0,1|1,1,0]=3 306 B13R2.183 c1csc(c1)COn2ccnc2 9c458f85b2d90054bfb7f5a58732d2ce [0,0,0,0,0,1|1,1,0]=3 307 B13R2.183 c1csc(c1)NCc2cc[nH]c2 5c9959b3f44b4b547f01a97eeddb1007 [0,0,0,0,0,1|2,1,0]=4 308 B13R2.183 c1csc(c1)NCc2ccno2 5a7613c050230be582e3ed97e683d8f5 [0,0,0,0,0,1|3,0,0]=4 309 B13R2.183 c1csc(c1)NCc2ccoc2 419e9e6054670c60f16ee71413c57450 [0,0,0,0,0,1|2,1,0]=4 310 B13R2.183 c1csc(c1)NCc2ccsc2 60155948c38668060562b208b0cb3b40 [0,0,0,0,0,1|2,1,0]=4 311 B13R2.183 c1csc(c1)NCc2cnco2 467537253800b6998c2db85b46a2f83b [0,0,0,0,0,1|3,0,0]=4 312 B13R2.183 c1csc(c1)NCc2ncco2 8ad08a3be75879f438a5bbe1be03bdc2 [0,0,0,0,0,1|3,0,0]=4 313 B13R2.183 c1csc(c1)NCn2nccn2 862b3b8548c28b0313347c18d9cd218d [0,0,0,0,0,1|2,1,0]=4 314 B13R2.183 c1csc(c1)OCc2ccno2 695a1ef7e9a6a580cfafe0486820a61c [0,0,0,0,0,1|3,0,0]=4 315 B13R2.183 c1csc(c1)OCc2ccsc2 e4429c581521bd287b3ec93e5f86c92e [0,0,0,0,0,1|2,1,0]=4 316 B13R2.183 c1csc(c1)OCc2ncco2 d9ba46e6b84208c783b65a61b2937128 [0,0,0,0,0,1|3,0,0]=4 317 B13R2.183 c1csc(c1)OCn2nccn2 e0f2d831fa921f71f37cf26f116534b0 [0,0,0,0,0,1|2,1,0]=4 318 B13R2.183 c1ncc(o1)CNc2ccsc2 bd3e7c04c11d568dee1915c3b20bc351 [0,0,0,0,0,1|3,0,0]=4 319 B10R1.21 C=CCCNc1ccco1 2dc99c635e0fd320f4473dac533cdebc [1,0,1,0,0,0|0,0,2]=4 320 B10R1.21 C=CCNCc1ccc[nH]1 931f997bc11f461d65711fe2c0ff25c1 [1,0,1,0,0,0|1,0,1]=4 321 B10R1.21 C=CCNCc1ccco1 9569a46dbd5a5ad2155580854b10270e [1,0,1,0,0,0|0,0,1]=3 322 B10R1.21 C=CCNCc1cccs1 8ff65b198721717afd435846cfac80e2 [1,0,1,0,0,0|0,1,1]=4 323 B10R1.21 C=CCNCc1ccno1 b375fe1a6ccfa497f9685474a3cd75cb [1,0,1,0,0,0|1,0,1]=4 324 B10R1.21 C=CCNCc1cnco1 c139c55185d6e6db7394ff972eabb861 [1,0,1,0,0,0|1,0,1]=4 325 B10R1.21 C=CCNCc1ncco1 283056a38451eb505f08b9188ddf6d8e [1,0,1,0,0,0|1,0,1]=4 326 B10R1.21 C=CCOCc1ccco1 21d0bb8c5631652a2d6e9c845ea783ac [1,0,1,0,0,0|1,0,1]=4 327 B10R1.21 C=CCOCn1cccn1 855a156ab09655ed469d3ca2cbd6e78b [1,0,1,0,0,0|1,0,1]=4 328 B10R1.21 C=CCOCn1ccnc1 861d1c66f4a2a8563b4727aec78937e9 [1,0,1,0,0,0|1,0,1]=4 329 B10R1.21 CC=CCNc1ccco1 8978ca9f1a5aa01b20c5fc0ef6bef405 [1,0,1,0,0,0|0,0,2]=4 330 B10R1.21 O=CCNCc1ccco1 0ab8a1ebd15283db8f5f3f17ac902f12 [1,0,1,0,0,0|1,0,1]=4 331 B10R1.27 CN(C=O)Cc1ccco1 717a7d8b3764ff0b3e1e4cf00cb53e3a [1,0,1,0,0,0|1,0,1]=4 332 B12R1.7 C/C=C/CNCc1cc(co1)C d3476e6baafffd930dca71a16a84d0c5 [0,1,1,0,0,0|0,0,2]=4 333 B12R1.7 C/C=C/CNCc1ccc(o1)Br 8dab5b89925c976b8a8bf97cb0d2b6c6 [0,1,1,0,0,0|0,0,2]=4 334 B12R1.7 C/C=C/CNCc1ccc(o1)C 154ba8e2226d113c7c017fc1bb2d507e [0,1,1,0,0,0|0,0,2]=4 335 B12R1.7 C/C=C\CNCc1cc(co1)C 6a02d1acc32ed75c8d2ad79d3a900a31 [0,1,1,0,0,0|0,0,2]=4 336 B12R1.7 C/C=C\CNCc1ccc(o1)Br 4d909186cbf8ace36bf43decd4c16ee3 [0,1,1,0,0,0|0,0,2]=4 337 B12R1.7 C/C=C\CNCc1ccc(o1)C 7a9c9d9f54c3eda7832f2ce166fa7946 [0,1,1,0,0,0|0,0,2]=4 338 B12R1.7 C=CCCNCc1cc(co1)C c0c3c08d77862582b939c9c39bee5b44 [0,1,1,0,0,0|0,0,2]=4 339 B12R1.7 C=CCCNCc1ccc(o1)Br b80a7eddbb8dcb3d29bfc3f795d8df3a [0,1,1,0,0,0|0,0,2]=4 340 B12R1.7 C=CCCNCc1ccc(o1)C cc8be0b030c873193bd5792f1e37b853 [0,1,1,0,0,0|0,0,2]=4 341 B12R1.7 Cc1ccc(o1)CNC/C=C/Cl e2c408512d80b7f8e7a93d4a39127d20 [0,1,1,0,0,0|1,0,1]=4 342 B12R1.7 Cc1ccc(o1)CNC/C=C\Cl 0f3f11c188dddc7d94dfa35d7f934a66 [0,1,1,0,0,0|1,0,1]=4 343 B12R1.7 Cc1ccc(o1)CNC/C=C\O 34d57c31761bd9c73cf17f67800bebc5 [0,1,1,0,0,0|1,0,1]=4 344 B12R1.7 Cc1coc(c1)CNC/C=C/Cl 731ffbc060339eb24d78e1047395c61a [0,1,1,0,0,0|1,0,1]=4 345 B12R1.7 Cc1coc(c1)CNC/C=C\Cl 473eca17860b2b43cf0fc659db9bf48a [0,1,1,0,0,0|1,0,1]=4 346 B12R1.7 Cc1coc(c1)CNC/C=C\O 3edb2c965b9b07dcee1696c0c8efbf4f [0,1,1,0,0,0|1,0,1]=4 347 B12R1.7 Cl/C=C/CNCc1ccc(o1)Br d0f0ab4f4d95f8222b211bca73901297 [0,1,1,0,0,0|1,0,1]=4 348 B12R1.7 Cl/C=C\CNCc1ccc(o1)Br bb598178893abcd06466f04f0af596b6 [0,1,1,0,0,0|1,0,1]=4 349 B12R1.7 O/C=C\CNCc1ccc(o1)Br 4eb213d16e39dd0a99204d621a9d20bf [0,1,1,0,0,0|1,0,1]=4 350 B12R1.35 C/C=C/CNC(C)c1ccco1 319ab8453f1439ceb98c640b390119c9 [0,1,1,0,0,0|0,0,2]=4 351 B12R1.35 C/C=C/CN[C@H](C)c1ccco1 8e34202e862573a0f920e450b7280016 [0,1,1,0,0,0|0,0,2]=4 352 B12R1.35 C/C=C\CNC(C)c1ccco1 8bf441df3b0002fa004edb4a890beed5 [0,1,1,0,0,0|0,0,2]=4 353 B12R1.35 C/C=C\CN[C@H](C)c1ccco1 7d10d6e49d05f12927ee22697aea00e1 [0,1,1,0,0,0|0,0,2]=4 354 B12R1.35 C=CCCNC(C)c1ccco1 a963a0fd030cd3a5222ce94d9fc53e59 [0,1,1,0,0,0|0,0,2]=4 355 B12R1.35 C=CCCN[C@H](C)c1ccco1 e3645c152af469730867182413cbd8e7 [0,1,1,0,0,0|0,0,2]=4 356 B12R1.35 CC(NC/C=C/Cl)c1ccco1 f59ed578ab39ed43253e68ad56f251bb [0,1,1,0,0,0|1,0,1]=4 357 B12R1.35 CC(NC/C=C\Cl)c1ccco1 133507e1914223045157703f7b57ccff [0,1,1,0,0,0|1,0,1]=4 358 B12R1.35 CC(NC/C=C\O)c1ccco1 7a91795beae2c0f00246a9e8def8ccef [0,1,1,0,0,0|1,0,1]=4 359 B12R1.35 C[C@@H](NC/C=C/Cl)c1ccco1 8a2d1578318d29fcadc8040d4f2ee0f4 [0,1,1,0,0,0|1,0,1]=4 360 B12R1.35 C[C@@H](NC/C=C\Cl)c1ccco1 502c98b73a531c0bd5e11a8cfb866e41 [0,1,1,0,0,0|1,0,1]=4 361 B12R1.35 C[C@@H](NC/C=C\O)c1ccco1 0c418a54d590323a4d7915eb9a6ca249 [0,1,1,0,0,0|1,0,1]=4 362 B12R1.37 C/C=C/CNCCc1ccco1 de8beef3556424a0449c01a1d1192b09 [0,1,1,0,0,0|0,0,2]=4 363 B12R1.37 C/C=C/COCCn1cccc1 a7ef1a645cb63d5287d9c91e94f26db9 [0,1,1,0,0,0|0,0,2]=4 364 B12R1.37 C/C=C\CNCCc1ccco1 7e6754f226c250ff7458b6da6162d502 [0,1,1,0,0,0|0,0,2]=4 365 B12R1.37 C/C=C\COCCn1cccc1 e4964bc29caa83db08a0612b2916c888 [0,1,1,0,0,0|0,0,2]=4 366 B12R1.37 C=C/C=C/CCNc1ccco1 df88038170879eb53b2ec57f6f87024c [0,1,1,0,0,0|1,0,0]=3 367 B12R1.37 C=C/C=C/CCNc1cccs1 bcddfd4e5dfa89fd4c7ffa756009c1b6 [0,1,1,0,0,0|1,1,0]=4 368 B12R1.37 C=C/C=C/CCNc1ccno1 c4c0740a000a8c0e229441976e00ced3 [0,1,1,0,0,0|2,0,0]=4 369 B12R1.37 C=C/C=C/CCNc1ncco1 a4e2d9bfead769020d6b9aa528e36a5c [0,1,1,0,0,0|2,0,0]=4 370 B12R1.37 C=CCCCNCc1ccco1 0883a34d9e334519346ea4ef43da69a8 [0,1,1,0,0,0|0,0,2]=4 371 B12R1.37 C=CCCNCCc1ccco1 af01b0d16abbd0965bf87084a7d30adb [0,1,1,0,0,0|0,0,2]=4 372 B12R1.37 C=CCCOCCn1cccc1 f9de1b22b6c722f0a926f6ffd7316d48 [0,1,1,0,0,0|0,0,2]=4 373 B12R1.37 C=CCOCCCn1cccc1 90b9a3ede4ea182612ecdce2e698df10 [0,1,1,0,0,0|0,0,2]=4 374 B12R1.37 C=COCCNCc1ccco1 5606e1e2b9e02947b396a4c327c395fd [0,1,1,0,0,0|0,0,2]=4 375 B12R1.37 CC/C=C/CNCc1ccco1 719e8cd828bf8446116668990edbf905 [0,1,1,0,0,0|0,0,2]=4 376 B12R1.37 CC=CCOCCn1cccc1 c02ad6b73f362e2582c0db0b41ebb8ee [0,1,1,0,0,0|0,0,2]=4 377 B12R1.37 Cl/C=C/CNCCc1ccco1 ad5f3a73fcab632ab4d60b9a27ad1cc3 [0,1,1,0,0,0|1,0,1]=4 378 B12R1.37 Cl/C=C/COCCn1cccc1 33fe5f09ea5374c325d72aa46126ca20 [0,1,1,0,0,0|0,0,2]=4 379 B12R1.37 Cl/C=C\CNCCc1ccco1 d6e1e8c7f122bed921f20c24bbee4c22 [0,1,1,0,0,0|1,0,1]=4 380 B12R1.37 Cl/C=C\COCCn1cccc1 742213268bea84ee802cc07d6f6d522c [0,1,1,0,0,0|0,0,2]=4 381 B12R1.37 ClC=CCOCCn1cccc1 cafc4deb5b8513d76bb017abe098c82a [0,1,1,0,0,0|0,0,2]=4 382 B12R1.37 N#CC=CCNCc1ccco1 09c68ce3017852754d79793d10f32bf5 [0,1,1,0,0,0|0,0,2]=4 383 B12R1.37 O/C=C\CNCCc1ccco1 1e22276a1c760ffeecf1bf3ba6580f4a [0,1,1,0,0,0|1,0,1]=4 384 B12R1.37 O/C=C\CNCCn1cccc1 afd85617f5a84a566316b26c5b08b6e5 [0,1,1,0,0,0|0,0,2]=4 385 B12R1.37 O=C/C=C/COCc1ccco1 e72935b1583669a7418f9875fd284421 [0,1,1,0,0,0|1,0,1]=4 386 B12R1.51 C/C=C/C(=O)NCc1ccco1 22834d2dfbfcc74e0a7d9a0b5153a364 [0,1,1,0,0,0|0,0,1]=3 387 B12R1.51 C/C=C/C(=O)NCc1cccs1 d11bde4d8e409eb3b914111814fd4226 [0,1,1,0,0,0|0,1,1]=4 388 B12R1.51 C/C=C/C(=O)NCc1ccno1 20f00d391e331958ad1766f033837153 [0,1,1,0,0,0|1,0,1]=4 389 B12R1.51 C/C=C/C(=O)NCc1cnco1 2a0f60656cd6cbf73bf8beb056f59ff2 [0,1,1,0,0,0|1,0,1]=4 390 B12R1.51 C/C=C/C(=O)NCc1ncco1 dd2122a96fc1eb338d825840e0942f1b [0,1,1,0,0,0|1,0,1]=4 391 B12R1.51 C=CCC(=O)NCc1ccco1 a08d669ecb490459b829365f79f527ec [0,1,1,0,0,0|0,0,1]=3 392 B12R1.51 C=CCC(=O)NCc1cccs1 a00c80addfe150924fb68e87ef4c282a [0,1,1,0,0,0|0,1,1]=4 393 B12R1.51 C=CCC(=O)NCc1ccno1 9c4d0f6ab4fda20f83f6fff56860a8e0 [0,1,1,0,0,0|1,0,1]=4 394 B12R1.51 C=CCC(=O)NCc1cnco1 5d1fdc92117993e3af6f0b2eafef8f7f [0,1,1,0,0,0|1,0,1]=4 395 B12R1.51 C=CCC(=O)NCc1ncco1 fe851f748ab0b8bb0ed7244a18c3e032 [0,1,1,0,0,0|1,0,1]=4 396 B12R1.51 O=C(/C=C/Br)NCc1ccco1 614d6065fa25c2d67695ad23680cb549 [0,1,1,0,0,0|1,0,0]=3 397 B12R1.51 O=C(/C=C/Br)NCc1cccs1 9d6b99dc599e484c415d14783773c656 [0,1,1,0,0,0|1,1,0]=4 398 B12R1.51 O=C(/C=C/Br)NCc1ccno1 6cb1aeb7cab209a8690f755901680bd1 [0,1,1,0,0,0|2,0,0]=4 399 B12R1.51 O=C(/C=C/Br)NCc1cnco1 497dde16cc62967ba4fa7fab0dbc2eaa [0,1,1,0,0,0|2,0,0]=4 400 B12R1.51 O=C(/C=C/Br)NCc1ncco1 aba67d3335b5753fd0862c0a3a85abdc [0,1,1,0,0,0|2,0,0]=4 401 B12R1.51 O=C(/C=C/Cl)NCc1ccco1 c1f2edb5f88275f65c16f44ee1d56daa [0,1,1,0,0,0|1,0,0]=3 402 B12R1.51 O=C(/C=C/Cl)NCc1cccs1 af6e3210526d55146d792e48bf181385 [0,1,1,0,0,0|1,1,0]=4 403 B12R1.51 O=C(/C=C/Cl)NCc1ccno1 7353d26ec509b30e5f5ff0cc307f52bf [0,1,1,0,0,0|2,0,0]=4 404 B12R1.51 O=C(/C=C/Cl)NCc1cnco1 049bacb5efd1daea747e2b6c7ae13c04 [0,1,1,0,0,0|2,0,0]=4 405 B12R1.51 O=C(/C=C/Cl)NCc1ncco1 d737d96aadc3cd5b49e80c770cf1e41a [0,1,1,0,0,0|2,0,0]=4 406 B12R1.51 O=C(/C=C/I)NCc1ccco1 eef62f7a79454e281741d562870c356c [0,1,1,0,0,0|1,0,0]=3 407 B12R1.51 O=C(/C=C/I)NCc1cccs1 af849ead77bce156fec50ef2aa337574 [0,1,1,0,0,0|1,1,0]=4 408 B12R1.51 O=C(/C=C/I)NCc1ccno1 afa84121e5c3362ed46c2444397c84b8 [0,1,1,0,0,0|2,0,0]=4 409 B12R1.51 O=C(/C=C/I)NCc1cnco1 00afececf507492d20c37dc9af921ee2 [0,1,1,0,0,0|2,0,0]=4 410 B12R1.51 O=C(/C=C/I)NCc1ncco1 b15e0917c9c7ca6e1cc9929faab84734 [0,1,1,0,0,0|2,0,0]=4 411 B12R1.51 O=C(/C=C\Br)NCc1ccco1 b2710f38fd9511ce6012eb97c5524459 [0,1,1,0,0,0|1,0,0]=3 412 B12R1.51 O=C(/C=C\Br)NCc1cccs1 bfef75f2cd5e501245d4c0f3fa1ce61e [0,1,1,0,0,0|1,1,0]=4 413 B12R1.51 O=C(/C=C\Br)NCc1ccno1 d5e38020ff826e2b69e654c7fa7aa0b8 [0,1,1,0,0,0|2,0,0]=4 414 B12R1.51 O=C(/C=C\Br)NCc1cnco1 f2b49e9d9d5af3f35e3cca9aa45f2cfd [0,1,1,0,0,0|2,0,0]=4 415 B12R1.51 O=C(/C=C\Br)NCc1ncco1 71cde959d9dfd08cc446b0fbff199a5b [0,1,1,0,0,0|2,0,0]=4 416 B12R1.51 O=C(/C=C\Cl)NCc1ccco1 fbe7f45a17e6d8b120a66ddc81ac24de [0,1,1,0,0,0|1,0,0]=3 417 B12R1.51 O=C(/C=C\Cl)NCc1cccs1 d6a978efd500dd6059247a6de029e6bd [0,1,1,0,0,0|1,1,0]=4 418 B12R1.51 O=C(/C=C\Cl)NCc1ccno1 999194f4f517e55dc09661a36a9a0c75 [0,1,1,0,0,0|2,0,0]=4 419 B12R1.51 O=C(/C=C\Cl)NCc1cnco1 03c0be1e08f10ace7e23568021b74713 [0,1,1,0,0,0|2,0,0]=4 420 B12R1.51 O=C(/C=C\Cl)NCc1ncco1 fc04ee7e57faa65c91ccf98ec8f426e4 [0,1,1,0,0,0|2,0,0]=4 421 B12R1.51 O=C(/C=C\I)NCc1ccco1 257c14ea38b62068334ebd6f30f00d04 [0,1,1,0,0,0|1,0,0]=3 422 B12R1.51 O=C(/C=C\I)NCc1cccs1 f927ef5df146d6910c2769d84219c04c [0,1,1,0,0,0|1,1,0]=4 423 B12R1.51 O=C(/C=C\I)NCc1ccno1 de28a0243a9ba85cb48c817d4c5d9b62 [0,1,1,0,0,0|2,0,0]=4 424 B12R1.51 O=C(/C=C\I)NCc1cnco1 afc3c97cd650f361e13c8072478b8611 [0,1,1,0,0,0|2,0,0]=4 425 B12R1.51 O=C(/C=C\I)NCc1ncco1 ec0d00856e0eb3ae47fcb966c6698610 [0,1,1,0,0,0|2,0,0]=4 426 B12R1.51 O=C(C=CBr)NCc1ccco1 b62e19418533c97aa78db525bb6581f2 [0,1,1,0,0,0|1,0,0]=3 427 B12R1.51 O=C(C=CBr)NCc1cccs1 8bf792b0f5f51036d36089cecdbbcf21 [0,1,1,0,0,0|1,1,0]=4 428 B12R1.51 O=C(C=CBr)NCc1ccno1 b0b99f945a5e42081c993c9177a90588 [0,1,1,0,0,0|2,0,0]=4 429 B12R1.51 O=C(C=CBr)NCc1cnco1 bd9e83392d0e43b976d7dbe8eeab3d6d [0,1,1,0,0,0|2,0,0]=4 430 B12R1.51 O=C(C=CBr)NCc1ncco1 56758b469ddf405eb206bdf4807e422e [0,1,1,0,0,0|2,0,0]=4 431 B12R1.51 O=C(C=CI)NCc1ccco1 03bd230848cd9ffc43cb169c275b9106 [0,1,1,0,0,0|1,0,0]=3 432 B12R1.51 O=C(C=CI)NCc1cccs1 6f7b95c8bb2b8e7439bbefa418ebd5c2 [0,1,1,0,0,0|1,1,0]=4 433 B12R1.51 O=C(C=CI)NCc1ccno1 b25d8cda55a449ce70e56cec947d143e [0,1,1,0,0,0|2,0,0]=4 434 B12R1.51 O=C(C=CI)NCc1cnco1 6ffbb128c6f2a579ea482da6fab4e301 [0,1,1,0,0,0|2,0,0]=4 435 B12R1.51 O=C(C=CI)NCc1ncco1 268f10bdc10917f045a75088a6d3974a [0,1,1,0,0,0|2,0,0]=4 436 B12R1.51 O=CCC(=O)NCc1ccco1 446fe2ef4c74b694f0bf0d446ec23dff [0,1,1,0,0,0|1,0,1]=4 437 B12R1.53 C/C=C/CN(C)Cc1ccco1 984852ec3f61dac0af5055cfe94858ea [0,1,1,0,0,0|0,0,2]=4 438 B12R1.53 C/C=C\CN(C)Cc1ccco1 5c86f92cd16af27558f8231e63aaac2f [0,1,1,0,0,0|0,0,2]=4 439 B12R1.53 C=CCCN(C)Cc1ccco1 96f4e035ed45b6cd7bf8e0e641f364d8 [0,1,1,0,0,0|0,0,2]=4 440 B12R1.53 CN(C/C=C/Cl)Cc1ccco1 3da3b1b30f80fbd431ee457b540bdda9 [0,1,1,0,0,0|1,0,1]=4 441 B12R1.53 CN(C/C=C\Cl)Cc1ccco1 1b58cb57c774f22913caa2ab6d200c23 [0,1,1,0,0,0|1,0,1]=4 442 B12R1.53 CN(C/C=C\O)Cc1ccco1 f06b57fa764be29cc646964973e97fa6 [0,1,1,0,0,0|1,0,1]=4 443 B12R1.255 C/C(=C/CNCc1ccco1)/I 7ed6efbed42e184951e05ee7c4d3ed5a [0,1,1,0,0,0|0,0,2]=4 444 B12R1.255 C/C(=C\CNCc1ccco1)/Cl 0911584d404d599bd9b0b0926d4d6622 [0,1,1,0,0,0|0,0,2]=4 445 B12R1.255 C=C(Br)COCCn1cccc1 da4d931a5c8943654713d5fffb8b82b8 [0,1,1,0,0,0|0,0,2]=4 446 B12R1.255 C=C(C)CCNCc1ccco1 aa2bbc7838299ef6a87dc40a41ba6abd [0,1,1,0,0,0|0,0,2]=4 447 B12R1.255 C=C(C)COCCn1cccc1 97cf3ec9956e6c335e1bc8b96ed53c87 [0,1,1,0,0,0|0,0,2]=4 448 B12R1.255 C=C(Cl)COCCn1cccc1 ba3519747936faea618b84c42bd0bbf1 [0,1,1,0,0,0|0,0,2]=4 449 B12R1.255 C=C(F)COCCn1cccc1 2fda281d86f7ddb90f8f4a47e918476c [0,1,1,0,0,0|0,0,2]=4 450 B12R1.255 C=C(I)COCCn1cccc1 8782cf198dd238a6eab39d6808dfc449 [0,1,1,0,0,0|0,0,2]=4 451 B12R1.255 CC(=CCNCc1ccco1)C c2b4f727cd04084867c30b306b19d217 [0,1,1,0,0,0|0,0,2]=4 452 B12R1.255 CC(=CCNCc1ccco1)Cl 5adaf9ed26618a5289f0b7751996ec42 [0,1,1,0,0,0|0,0,2]=4 453 B12R1.255 CC(=CCNCc1ccco1)I a471fbd65e53e5c33f15d2d2d0cb98eb [0,1,1,0,0,0|0,0,2]=4 454 B12R1.255 ClC(=CCNCc1ccco1)Cl 6b82d9625b494ba325c5bcda1fb95eab [0,1,1,0,0,0|1,0,1]=4 455 B12R1.372 C/C=C/CNCc1occc1C 511adfa44150fb96cafb15e2d5373467 [0,1,1,0,0,0|0,0,2]=4 456 B12R1.372 C/C=C\CNCc1occc1C 5fcfd93980fb10a244d08bd8f95bd6a8 [0,1,1,0,0,0|0,0,2]=4 457 B12R1.372 C=CCCNCc1occc1C fb98285d510185aaa1c0448a7222ed72 [0,1,1,0,0,0|0,0,2]=4 458 B12R1.372 Cc1ccoc1CNC/C=C/Cl 9fd454b5e48292e4c7fdb80f37a34496 [0,1,1,0,0,0|1,0,1]=4 459 B12R1.372 Cc1ccoc1CNC/C=C\Cl 832b6362f6fcdcbaaef9458404a00d28 [0,1,1,0,0,0|1,0,1]=4 460 B12R1.372 Cc1ccoc1CNC/C=C\O 3e24a342f805ad93a05b04a8bbf5eacf [0,1,1,0,0,0|1,0,1]=4 461 B12R1.477 C=C(C=O)OCCn1cccc1 3ce93d7d396820563e37847bb9b659c8 [0,1,1,0,0,0|1,0,1]=4 462 B12R1.477 C=CC(=O)NCCc1ccco1 1ddb9046ba07351bdd94e2a85d1031a4 [0,1,1,0,0,0|2,0,0]=4 463 B12R1.477 C=CC(=O)NCCn1cccc1 3f36dd1d6d3f73a9c3e689c82e2b2041 [0,1,1,0,0,0|1,0,1]=4 464 B12R1.477 C=CC(C)OCCn1cccc1 3312a8620e11b6dc0d059a9ecefeffbf [0,1,1,0,0,0|0,0,2]=4 465 B12R1.477 C=CC(O)CNCc1ccco1 18633ffae61d699c53f2827a3e14f0c6 [0,1,1,0,0,0|0,0,2]=4 466 B12R1.477 C=C[C@H](C)OCCn1cccc1 f5b2eb0e56abbaf3acba2e9f24545999 [0,1,1,0,0,0|0,0,2]=4 467 B12R1.477 Cl/C=C(\Cl)/CNCc1ccco1 b9b036b3ada7234f8abb51f562825f74 [0,1,1,0,0,0|1,0,1]=4 468 B12R1.31 C=CCN(C)Cc1ccc(o1)C 71b46b1c0fe7da14c5a05e346efe9c02 [0,1,1,0,0,0|0,0,2]=4 469 B12R1.72 C=CCN(C#N)Cc1ccco1 3cef064a80b8b78bb88ea626e382946e [0,1,1,0,0,0|0,0,2]=4 470 B12R1.72 C=CCN(C=O)Cc1ccco1 a661dbf47f8314fcc928311244fd1cba [0,1,1,0,0,0|0,0,1]=3 471 B12R1.72 C=CCN(CC)Cc1ccco1 86a5f9919a59ecf9ba07c3493523908b [0,1,1,0,0,0|0,0,2]=4 472 B12R1.72 C=CCN(CF)Cc1ccco1 5471ee3977114d6fc15719b3c239c14d [0,1,1,0,0,0|0,0,2]=4 473 B12R1.72 C=CCN(CO)Cc1ccco1 5cb6728d84b4b009db39770954be5de8 [0,1,1,0,0,0|0,0,2]=4 474 B12R1.108 C=CC(=O)N(C)Cc1ccco1 920c8519c43cdbb6a69df5c97cfd7bfe [0,1,1,0,0,0|0,0,1]=3 475 B12R1.108 C=CC(=O)N(C)Cc1cccs1 b97781dd6aa430cfa6b42b10e519dcf9 [0,1,1,0,0,0|0,1,1]=4 476 B12R1.108 C=CC(=O)N(C)Cc1ccno1 d3d768ab35f944d583b80b7fa4f93428 [0,1,1,0,0,0|1,0,1]=4 477 B12R1.108 C=CC(=O)N(C)Cc1ncco1 d280819d03db6368d75bfa708d76fccf [0,1,1,0,0,0|1,0,1]=4 478 B12R1.108 C=CC(C)N(C)Cc1ccco1 0f5429e55a58a7f4e73e893eaea92726 [0,1,1,0,0,0|0,0,2]=4 479 B12R1.108 CN(Cc1ccco1)C(=O)C=O 5aa5e48bf7f28764f2def41bb5aeafb1 [0,1,1,0,0,0|1,0,1]=4 480 B12R1.260 C=C(Br)CN(C)Cc1ccco1 d4a0b567079894987b8d897a5544d0c1 [0,1,1,0,0,0|0,0,2]=4 481 B12R1.260 C=C(C)CN(C)Cc1ccco1 79a1ace72ff7879138e9244db56f276a [0,1,1,0,0,0|0,0,2]=4 482 B12R1.260 C=C(Cl)CN(C)Cc1ccco1 da85611bdd0fcdaf988f19583e49082a [0,1,1,0,0,0|0,0,2]=4 483 B12R1.260 C=C(F)CN(C)Cc1ccco1 6cf8d76f2477c58c7957f482a54e0ed7 [0,1,1,0,0,0|0,0,2]=4 484 B12R1.318 C=CCN(C)Cc1occc1C 669e5144c0d28975c2015546eaa495e0 [0,1,1,0,0,0|0,0,2]=4 485 B12R2.6 Brc1ccc(o1)c2ccco2 3c40c82ccc95032ad82db8acc7a46404 [0,1,0,0,1,0|2,0,0]=4 486 B12R2.6 Brc1ccc(o1)c2cccs2 c9fcf1d1a9dd0137f7d5d726541912f6 [0,1,0,0,1,0|2,0,0]=4 487 B12R2.6 Brc1ccc(o1)c2ccoc2 f9f768e2d44aa496e085514b08c0ee0d [0,1,0,0,1,0|2,0,0]=4 488 B12R2.6 Brc1ccc(o1)c2ccsc2 1fedb1a83e88185d63b0649e551f3e75 [0,1,0,0,1,0|2,0,0]=4 489 B12R2.6 Brc1ccc(s1)c2ccco2 9985d5f8f0ab34038b6536a8697c6a41 [0,1,0,0,1,0|2,0,0]=4 490 B12R2.6 Brc1coc(c1)c2ccoc2 8bdc1014a5a3d6dfc544675f2f2329c8 [0,1,0,0,1,0|2,0,0]=4 491 B12R2.6 Brc1coc(c1)c2ccsc2 060a70b888dec47f39cdb4f7447ee128 [0,1,0,0,1,0|2,0,0]=4 492 B12R2.6 Brc1csc(c1)c2ccco2 0319fd04ad3f7bf711111be7518676b1 [0,1,0,0,1,0|2,0,0]=4 493 B12R2.6 Cc1cc(c[nH]1)c2ccco2 6b7aaf37fb5833ef0a5e5f415431c6e6 [0,1,0,0,1,0|2,0,0]=4 494 B12R2.6 Cc1cc(cs1)c2ccco2 4e9de336fcd30bd116c1d4cf4b6bdc49 [0,1,0,0,1,0|2,0,0]=4 495 B12R2.6 Cc1cc(sn1)n2cccc2 45370b48cf11b38cd5e9df88e1bc9ad9 [0,1,0,0,1,0|1,1,0]=4 496 B12R2.6 Cc1ccc([nH]1)c2ccco2 be20a8dd5c20aacff8a9af94b73250af [0,1,0,0,1,0|2,0,0]=4 497 B12R2.6 Cc1ccc(o1)c2cc[nH]c2 d496d80ee031b9af138e76072eea38b1 [0,1,0,0,1,0|2,0,0]=4 498 B12R2.6 Cc1ccc(o1)c2ccc[nH]2 14c21b56c7043b9a9620fc1c8ebd9213 [0,1,0,0,1,0|2,0,0]=4 499 B12R2.6 Cc1ccc(o1)c2ccco2 70f4ed5d66ca8d1ecdf510f32db5cb72 [0,1,0,0,1,0|2,0,0]=4 500 B12R2.6 Cc1ccc(o1)c2cccs2 ba7f090cfe3708f69b2e0e8c09d27f16 [0,1,0,0,1,0|2,0,0]=4 501 B12R2.6 Cc1ccc(o1)c2ccoc2 eb7f4d5faef22f133d69334ef8ccc145 [0,1,0,0,1,0|2,0,0]=4 502 B12R2.6 Cc1ccc(o1)c2ccsc2 0b5a05d90c678a8df1f935c74532e314 [0,1,0,0,1,0|2,0,0]=4 503 B12R2.6 Cc1ccc(s1)c2ccco2 8f12764b6c183bdcfed2f58307bf9203 [0,1,0,0,1,0|2,0,0]=4 504 B12R2.6 Cc1ccn(c1)c2ccco2 0aa22b6936aaaa7dea9dbe16a91a782a [0,1,0,0,1,0|0,0,0]=2 505 B12R2.6 Cc1ccn(c1)c2ccsc2 16952523e806e1afc99c72e62dea1cd2 [0,1,0,0,1,0|2,0,0]=4 506 B12R2.6 Cc1ccn(n1)c2ccco2 9a19f414130d957009b466174985810c [0,1,0,0,1,0|1,0,0]=3 507 B12R2.6 Cc1coc(c1)c2cc[nH]c2 bb60f9021cb2b1b20b8c0293724f02e4 [0,1,0,0,1,0|2,0,0]=4 508 B12R2.6 Cc1coc(c1)c2ccc[nH]2 938cc903ad5b13acf9178736de14da83 [0,1,0,0,1,0|2,0,0]=4 509 B12R2.6 Cc1coc(c1)c2ccco2 db75051b4573f30c30630eb6f53362ca [0,1,0,0,1,0|2,0,0]=4 510 B12R2.6 Cc1coc(c1)c2cccs2 19f1ece20915b77d994f064b3170885b [0,1,0,0,1,0|2,0,0]=4 511 B12R2.6 Cc1coc(c1)c2ccoc2 385c1cbae7abe838af1aa76c9fe8084d [0,1,0,0,1,0|2,0,0]=4 512 B12R2.6 Cc1coc(c1)c2ccsc2 e30016c64b04299da984aaca733534d6 [0,1,0,0,1,0|2,0,0]=4 513 B12R2.6 Cc1csc(c1)c2ccco2 3a0f49632a265669f7beb2e44ebf88ea [0,1,0,0,1,0|2,0,0]=4 514 B12R2.6 Cc1ncc(s1)n2cccc2 9faf8b598a47041a9310e9b10d6e7504 [0,1,0,0,1,0|1,1,0]=4 515 B12R2.6 Cc1ncn(n1)c2ccco2 7032dfa1455073db5b9ef0b5f2aa4d39 [0,1,0,0,1,0|2,0,0]=4 516 B12R2.6 Clc1cc(cs1)c2ccco2 2eabbf1429359633dc29d6063ac3260a [0,1,0,0,1,0|2,0,0]=4 517 B12R2.6 Clc1ccc(s1)c2ccco2 a7c06bd079e3989480c24da1fd005485 [0,1,0,0,1,0|2,0,0]=4 518 B12R2.6 Clc1csc(c1)c2ccco2 30fe0450a13ce50e363b6e290274fdcf [0,1,0,0,1,0|2,0,0]=4 519 B12R2.6 Cn1ccc(c1)c2ccco2 195ea0f662444f8bd1179ac0a665f80c [0,1,0,0,1,0|2,0,0]=4 520 B12R2.6 Cn1ccc(n1)n2cccc2 05667216e3bddd77846f6c997d4571a4 [0,1,0,0,1,0|2,0,0]=4 521 B12R2.6 Fc1ccc(s1)c2ccco2 f222265ce99255dcab4fb1d26f6506f0 [0,1,0,0,1,0|2,0,0]=4 522 B12R2.6 Fc1ccn(n1)c2ccco2 21e6d235267b000f04f87252b31bf24a [0,1,0,0,1,0|1,0,0]=3 523 B12R2.6 Fc1csc(c1)c2ccco2 2923c124134d642635f70fc1a0a1fc17 [0,1,0,0,1,0|2,0,0]=4 524 B12R2.6 Ic1ccc(s1)c2ccco2 f3f1cb882819d9772f4a67513a022fdf [0,1,0,0,1,0|2,0,0]=4 525 B12R2.6 Nc1ccc(s1)c2ccco2 7494dd2fa9418420396e806ab087d46b [0,1,0,0,1,0|2,0,0]=4 526 B12R2.6 Nc1nc(cs1)n2cccc2 7db1e1558410e08620a281596bf15dd8 [0,1,0,0,1,0|2,0,0]=4 527 B12R2.6 Oc1ccc(s1)c2ccco2 13ac000c33cf2351714ebfd03d95ef68 [0,1,0,0,1,0|2,0,0]=4 528 B12R2.6 Oc1cnn(c1)c2ccco2 8b1e62307b2a13e281b44f4f579398e4 [0,1,0,0,1,0|1,0,0]=3 529 B12R2.6 Sc1ncn(n1)c2ccco2 1ef8f72dbbd6e70654aebf9b41460b12 [0,1,0,0,1,0|2,0,0]=4 530 B12R2.10 Brc1cscc1c2ccco2 56e6d319ada7b0140e8393dc44b77b86 [0,1,0,0,1,0|2,0,0]=4 531 B12R2.10 Cc1cccn1c2ccsc2 01a41162909f82af2f5e6a6d0838212d [0,1,0,0,1,0|2,0,0]=4 532 B12R2.10 Cc1ccsc1c2ccco2 01c8cd7a1a48e6c6b8c2bc005737f6aa [0,1,0,0,1,0|2,0,0]=4 533 B12R2.10 Cc1ccsc1n2cccc2 6bba98de01ada6a103a5605bfad5f964 [0,1,0,0,1,0|0,1,0]=3 534 B12R2.10 Cc1ccsc1n2cccn2 c83ec5893de2be27f758ebb9f46eef64 [0,1,0,0,1,0|1,1,0]=4 535 B12R2.10 Cc1ccsc1n2ccnc2 45bf3f7c1b5efa2fafffeb7561367dc8 [0,1,0,0,1,0|1,1,0]=4 536 B12R2.10 Cc1cscc1c2ccco2 d3957af57b5456914211e25b663a383f [0,1,0,0,1,0|2,0,0]=4 537 B12R2.10 Cc1csnc1n2cccc2 3750e42c0ee0f22af11707fc62474f85 [0,1,0,0,1,0|2,0,0]=4 538 B12R2.10 Cc1nccn1c2ccco2 98fba914734cd21f9371af1af93c778c [0,1,0,0,1,0|1,0,0]=3 539 B12R2.10 Cc1occc1c2ccco2 86e5f7987cdf6f35cb63f24b017c4f87 [0,1,0,0,1,0|2,0,0]=4 540 B12R2.10 Cc1sccc1c2ccco2 3ab5cfa33ec8a192dc2f800075797ae4 [0,1,0,0,1,0|2,0,0]=4 541 B12R2.10 Cc1sccc1n2cccc2 c1578c3babb90c6f8e58a7c319b9f560 [0,1,0,0,1,0|2,0,0]=4 542 B12R2.10 Clc1ccsc1c2ccco2 9cab3823d5adcb5a8e1f755a81d7302c [0,1,0,0,1,0|2,0,0]=4 543 B12R2.10 Clc1cscc1c2ccco2 d50115cea9361728830a8b5478368a47 [0,1,0,0,1,0|2,0,0]=4 544 B12R2.10 Clc1sccc1c2ccco2 d423a0e9faee86c8673094644a13af3e [0,1,0,0,1,0|2,0,0]=4 545 B12R2.10 Cn1cccc1c2ccco2 277654c1f20aba6ec311f305e201b563 [0,1,0,0,1,0|2,0,0]=4 546 B12R2.10 Nc1cscc1c2ccco2 c006bacd2e9d26ea816923c8e750fd0c [0,1,0,0,1,0|2,0,0]=4 547 B12R2.10 Oc1ccnn1c2ccco2 194b6686051175db195a7bb50728d59a [0,1,0,0,1,0|1,0,0]=3 548 B12R2.10 Oc1ccnn1c2ncco2 35dc0aa784d571962bfbca9e55b8449d [0,1,0,0,1,0|2,0,0]=4 549 B12R2.10 S=c1occn1c2ccco2 0f70479a3e0aa4f6241ca02b6c66bc92 [0,1,0,0,1,0|1,0,0]=3 550 B12R2.10 S=c1occn1c2ncco2 322327e4473eb32b128a876d69484e96 [0,1,0,0,1,0|2,0,0]=4 551 B12R2.10 S=c1sccn1c2ncco2 ffd7e838dddcc168cf4fe1df16d65dfd [0,1,0,0,1,0|2,0,0]=4 552 B14R2.19 Cc1ccc(o1)Nc2ccccc2 ad455cc2aefddbd9ce79d9bb2f281023 [0,1,0,0,0,1|2,0,0]=4 553 B14R2.19 Cc1ccc(o1)Nc2ccccn2 982a8f5c6c854521a8398928040f05ab [0,1,0,0,0,1|2,0,0]=4 554 B14R2.19 Cc1ccc(o1)Nc2cccnc2 027521963dd05ab37c2c9028b1f39707 [0,1,0,0,0,1|2,0,0]=4 555 B14R2.19 Cc1ccc(o1)Nc2ccncc2 d15104bc700316a46c8ab0d952525ce1 [0,1,0,0,0,1|2,0,0]=4 556 B14R2.50 Cc1cccnc1Nc2ccco2 50df0237170fbe1b250d58574bbab185 [0,1,0,0,0,1|2,0,0]=4 557 B14R2.50 Fc1cccnc1Nc2ccco2 b8855be3b46c4089f8f8d9a907665059 [0,1,0,0,0,1|2,0,0]=4 558 B14R2.50 Fc1ccncc1Nc2ccco2 8bd3336b5fdd7575f37e856e1202a7aa [0,1,0,0,0,1|2,0,0]=4 559 B14R2.50 Fc1cnccc1Nc2ccco2 37c46b23fe6355395f5c17f1fb824bf0 [0,1,0,0,0,1|2,0,0]=4 560 B14R2.50 Oc1cccnc1Nc2ccco2 e176df8b9050cd43d932db97aff8912d [0,1,0,0,0,1|2,0,0]=4 561 B14R2.50 Oc1ccncc1Nc2ccco2 e1bcd3ef9e615c2409733da35b959b2c [0,1,0,0,0,1|2,0,0]=4 562 B14R2.50 Oc1cnccc1Nc2ccco2 9bb39beedc025655c1c34514ba8b3f39 [0,1,0,0,0,1|2,0,0]=4 563 B14R2.72 BrC1=CCN(CC1)Cc2ccco2 c354b3185fcb953eebd8ca436bf2c9b4 [0,1,0,0,0,1|0,0,2]=4 564 B14R2.72 Cc1ccc(cc1)Nc2ccco2 a62e81d34fdec10687fef1165499127f [0,1,0,0,0,1|2,0,0]=4 565 B14R2.72 Fc1ccc(cc1)Nc2ccco2 8d2d492ba2e9f825d0040a89a752eb82 [0,1,0,0,0,1|2,0,0]=4 566 B14R2.72 Fc1ccc(cn1)Nc2ccco2 5bd7559554d295e48035e804d3813cde [0,1,0,0,0,1|2,0,0]=4 567 B14R2.72 Oc1ccc(cc1)Nc2ccco2 6276bcbfe07113083c019e2730af41ba [0,1,0,0,0,1|2,0,0]=4 568 B14R2.716 Cc1cncc(c1)Nc2ccco2 450b50ffda1a9f9ce34ea0bd26c6aa23 [0,1,0,0,0,1|2,0,0]=4 569 B14R2.716 Fc1cc(ccn1)Nc2ccco2 49e4c47bca255d9ba83b83d37cb508fe [0,1,0,0,0,1|2,0,0]=4 570 B14R2.716 Fc1cccc(c1)Nc2ccco2 571be42f516786df4b1f2308baf42fa6 [0,1,0,0,0,1|2,0,0]=4 571 B14R2.716 Fc1cncc(c1)Nc2ccco2 be17ef03c28073f081d0162d2c4a95ac [0,1,0,0,0,1|2,0,0]=4 572 B14R2.716 OC1C=CCN(C1)Cc2ccco2 d74617d4116b398f66877c7c81025dc4 [0,1,0,0,0,1|0,0,2]=4 573 B14R2.716 Oc1cc(ccn1)Nc2ccco2 53e1fd5b24fb60cc5cae281d04578303 [0,1,0,0,0,1|2,0,0]=4 574 B14R2.716 Oc1cccc(c1)Nc2ccco2 ef569ed92a2a045bb2bc8346137bebea [0,1,0,0,0,1|2,0,0]=4 575 B14R2.716 Oc1ccnc(c1)Nc2ccco2 24634e3af8b26a0f5111a5aac9895b62 [0,1,0,0,0,1|2,0,0]=4 576 B14R2.716 Oc1cncc(c1)Nc2ccco2 f1c9795796b143aa29c6006636910e65 [0,1,0,0,0,1|2,0,0]=4 577 B14R2.252 Brc1cc(on1)COn2cccn2 0b17a055d9849a79d5972f255e222a38 [0,1,0,0,0,1|2,0,0]=4 578 B14R2.252 Brc1cc(on1)COn2ccnc2 6cca93e6b94b62577a34d4e92a7c9c84 [0,1,0,0,0,1|2,0,0]=4 579 B14R2.252 Brc1ccc(s1)COc2ccco2 2f129c38cc3c4ce2519a52804c94b96e [0,1,0,0,0,1|2,0,0]=4 580 B14R2.252 Brc1ccc(s1)COn2cccn2 ba353e259de01bb8dc35cf04cd10cded [0,1,0,0,0,1|1,1,0]=4 581 B14R2.252 Brc1ccc(s1)COn2ccnc2 1eda89f0f3785b33911dd4477dae2d92 [0,1,0,0,0,1|1,1,0]=4 582 B14R2.252 Brc1ccc(s1)NCc2ccco2 3c6570538edb0b34dba6ff6fee727494 [0,1,0,0,0,1|2,0,0]=4 583 B14R2.252 Brc1ccc(s1)OCc2ccco2 1fa1f3581b9e420517f38f88ca6e5faf [0,1,0,0,0,1|2,0,0]=4 584 B14R2.252 Brc1cnc(o1)COn2cccn2 663567cf77cf9641001fcfcb6530f6a1 [0,1,0,0,0,1|2,0,0]=4 585 B14R2.252 Brc1cnc(o1)COn2ccnc2 13015f5dd6420848a0eda6275bcca405 [0,1,0,0,0,1|2,0,0]=4 586 B14R2.252 Brc1coc(n1)COn2cccn2 3e515d420f7c614fea67d59dc58a5236 [0,1,0,0,0,1|2,0,0]=4 587 B14R2.252 Brc1coc(n1)COn2ccnc2 f475d4eb2e86e097e0a09bff3a7fa999 [0,1,0,0,0,1|2,0,0]=4 588 B14R2.252 Brc1csc(c1)COc2ccco2 b96417b962de3cfd6ceb34026246c2e2 [0,1,0,0,0,1|2,0,0]=4 589 B14R2.252 Brc1csc(c1)COn2cccn2 c1183f4bb31e3d626282e45e9662bcac [0,1,0,0,0,1|1,1,0]=4 590 B14R2.252 Brc1csc(c1)COn2ccnc2 869a8e9381046faa35e65bd5b08ab292 [0,1,0,0,0,1|1,1,0]=4 591 B14R2.252 Cc1cc(cs1)COc2ccco2 6e907417df4f76ecd00f302e63114f22 [0,1,0,0,0,1|2,0,0]=4 592 B14R2.252 Cc1cc(cs1)NCc2ccco2 6d3b9012238f4ed26490502fd9db4795 [0,1,0,0,0,1|2,0,0]=4 593 B14R2.252 Cc1cc(on1)COn2cccn2 46073db67ee12e1512e9bc41c25eb307 [0,1,0,0,0,1|2,0,0]=4 594 B14R2.252 Cc1cc(on1)COn2ccnc2 68a43d4ccd0caaa6eeca2f98a41a1815 [0,1,0,0,0,1|2,0,0]=4 595 B14R2.252 Cc1ccc(o1)CNc2ccco2 7bd1b003fb3fb356da088b4c1e8a0abc [0,1,0,0,0,1|2,0,0]=4 596 B14R2.252 Cc1ccc(o1)CNc2cccs2 7f9df2bc34f3461d46bec23a3c361847 [0,1,0,0,0,1|2,0,0]=4 597 B14R2.252 Cc1ccc(o1)CNc2ccoc2 358a97b598c6833f337d62d3b7a1d767 [0,1,0,0,0,1|2,0,0]=4 598 B14R2.252 Cc1ccc(o1)CNc2ccsc2 78a1501da7c27041021b8478c9c313fd [0,1,0,0,0,1|2,0,0]=4 599 B14R2.252 Cc1ccc(o1)NCc2cc[nH]c2 314baba126184ccbdd4d8cd3b05998bb [0,1,0,0,0,1|2,0,0]=4 600 B14R2.252 Cc1ccc(o1)NCc2ccc[nH]2 0d42058fdac580555683a3883aa0288c [0,1,0,0,0,1|2,0,0]=4 601 B14R2.252 Cc1ccc(o1)NCc2ccco2 c747443b9bf2c6962911ac3ab3a11616 [0,1,0,0,0,1|2,0,0]=4 602 B14R2.252 Cc1ccc(o1)NCc2cccs2 c9fcf85d4e09bb79fe679dcad137a4a7 [0,1,0,0,0,1|2,0,0]=4 603 B14R2.252 Cc1ccc(o1)NCc2ccoc2 6b04a22c735bfb3953560330a3da5c45 [0,1,0,0,0,1|2,0,0]=4 604 B14R2.252 Cc1ccc(o1)NCc2ccsc2 288157e5a7864becd581dd7bf53f73b8 [0,1,0,0,0,1|2,0,0]=4 605 B14R2.252 Cc1ccc(s1)NCc2ccco2 bc9d0a27720cdcd45ac2f3d480d69d7a [0,1,0,0,0,1|2,0,0]=4 606 B14R2.252 Cc1cnc(o1)COn2cccn2 21015fe36723a63d5925c723ad32e077 [0,1,0,0,0,1|2,0,0]=4 607 B14R2.252 Cc1cnc(o1)COn2ccnc2 36eb42a4de039abedf5f09f2d2a99154 [0,1,0,0,0,1|2,0,0]=4 608 B14R2.252 Cc1coc(c1)CNc2ccco2 c5de55f6ba625347263d6833fdea6157 [0,1,0,0,0,1|2,0,0]=4 609 B14R2.252 Cc1coc(c1)CNc2cccs2 b69039db6510b5bac9b7c9fbc09ecacc [0,1,0,0,0,1|2,0,0]=4 610 B14R2.252 Cc1coc(c1)CNc2ccoc2 602c911b69205aeda8ff11f6e3a5f6a8 [0,1,0,0,0,1|2,0,0]=4 611 B14R2.252 Cc1coc(c1)CNc2ccsc2 9766cf9ef9cf8e013b4151e6f697b7ea [0,1,0,0,0,1|2,0,0]=4 612 B14R2.252 Cc1coc(c1)NCc2cc[nH]c2 9b3be54321874215523b8fd30266133b [0,1,0,0,0,1|2,0,0]=4 613 B14R2.252 Cc1coc(c1)NCc2ccc[nH]2 5f3fc6c175466c3ffaf76c156686d00f [0,1,0,0,0,1|2,0,0]=4 614 B14R2.252 Cc1coc(c1)NCc2ccco2 09f2a65a6a1b657a4250992f3ad4abf8 [0,1,0,0,0,1|2,0,0]=4 615 B14R2.252 Cc1coc(c1)NCc2ccsc2 4af9bf59d7b181db95a97fdf5ce31bce [0,1,0,0,0,1|2,0,0]=4 616 B14R2.252 Cc1csc(c1)OCc2ccco2 7bad4d4fd5ef6174a75cd8efaf2994c3 [0,1,0,0,0,1|2,0,0]=4 617 B14R2.252 Cc1ncc(o1)COn2cccn2 98804945fc535325678c5f49b6b257bb [0,1,0,0,0,1|2,0,0]=4 618 B14R2.252 Cc1ncc(o1)COn2ccnc2 f78277348e10bd193008abd2312cb5c4 [0,1,0,0,0,1|2,0,0]=4 619 B14R2.252 Clc1ccc(s1)COc2ccco2 ec2fd8a04d3b141466f6fc8b463801a7 [0,1,0,0,0,1|2,0,0]=4 620 B14R2.252 Clc1ccc(s1)COn2cccn2 800be254ec855be9ba48d491b0f9a9e1 [0,1,0,0,0,1|1,1,0]=4 621 B14R2.252 Clc1ccc(s1)COn2ccnc2 42bf5918687062a5c40e5013132d0b2e [0,1,0,0,0,1|1,1,0]=4 622 B14R2.252 Clc1cnn(c1)CNc2cccs2 733139a883433e9b1723b3109d6cabf3 [0,1,0,0,0,1|1,1,0]=4 623 B14R2.252 Clc1cnn(c1)CNc2ccno2 1e625212f7150b0f5f9d3ca355a1b6bd [0,1,0,0,0,1|2,0,0]=4 624 B14R2.252 Clc1cnn(c1)CNc2ncco2 1e2e64e417cfd8caa8856de5113ff720 [0,1,0,0,0,1|2,0,0]=4 625 B14R2.252 Clc1cnn(c1)COc2ccco2 31679066478ef3866e605f780c0241e6 [0,1,0,0,0,1|1,0,0]=3 626 B14R2.252 Clc1cnn(c1)COc2cccs2 32842c5c61090f811b522999ecb0778d [0,1,0,0,0,1|1,1,0]=4 627 B14R2.252 Cn1ccc(c1)NCc2ccco2 0b1951edef7cc94c739a458ea4d46b1b [0,1,0,0,0,1|2,0,0]=4 628 B14R2.252 Fc1ccc(s1)NCc2ccco2 9e7028d5355e088ac502b380e7a5ca49 [0,1,0,0,0,1|2,0,0]=4 629 B14R2.252 Ic1cnn(c1)OCc2ccco2 cf25c9225365874eabc564666c2e3bdc [0,1,0,0,0,1|1,0,0]=3 630 B14R2.252 Ic1cnn(c1)OCc2cccs2 9a0c2c0585b700199039375cbc9fef7c [0,1,0,0,0,1|1,1,0]=4 631 B14R2.252 Ic1cnn(c1)OCc2ccno2 2c36f3c5a6c8ef9860baefea5d12848b [0,1,0,0,0,1|2,0,0]=4 632 B14R2.252 Ic1cnn(c1)OCc2cnco2 e397367da02449146370a93f618d9a72 [0,1,0,0,0,1|2,0,0]=4 633 B14R2.252 Ic1cnn(c1)OCc2ncco2 078b3fc1bf8c54a9f60c1099c18e0524 [0,1,0,0,0,1|2,0,0]=4 634 B14R2.252 O=C1C=CC(C1)OCc2ccco2 1e5235044521048d525dcc353dbdefe3 [0,1,0,0,0,1|1,0,1]=4 635 B14R2.252 O=C1C=CC(O1)OCc2ccco2 d167835c2cca13546a7fce2b7cf31748 [0,1,0,0,0,1|2,0,0]=4 636 B14R2.252 O=C1C=C[C@@H](C1)OCc2ccco2 5fa9c86d5cda6a7bae6957735ec696e5 [0,1,0,0,0,1|1,0,1]=4 637 B14R2.252 O=c1occ(o1)COn2cccn2 710e0c7c4fa81b9c424305076b6631f8 [0,1,0,0,0,1|2,0,0]=4 638 B14R2.252 O=c1occ(o1)COn2ccnc2 a754dbaa5fe1dd6cc4e6f7f88a86b46b [0,1,0,0,0,1|2,0,0]=4 639 B14R2.384 Brc1ccsc1COn2cccn2 461c35e57040ec9be872b8105b1e33e7 [0,1,0,0,0,1|1,1,0]=4 640 B14R2.384 Brc1ccsc1COn2ccnc2 b8e9f2fae8529b1e3feabcb7f7744f87 [0,1,0,0,0,1|1,1,0]=4 641 B14R2.384 Brc1cscc1COc2ccco2 eafc7678e050a701191c3f6d7d3a3e77 [0,1,0,0,0,1|2,0,0]=4 642 B14R2.384 Brc1cscc1NCc2ccco2 ea7d87b516f72702299eb87346c32225 [0,1,0,0,0,1|2,0,0]=4 643 B14R2.384 Brc1sccc1COc2ccco2 933ad2ba6b64c89f429bed5bfe949157 [0,1,0,0,0,1|2,0,0]=4 644 B14R2.384 Cc1ccoc1CNc2ccco2 3a4fee5bfefb0ee870d02c1fde08e322 [0,1,0,0,0,1|2,0,0]=4 645 B14R2.384 Cc1ccoc1CNc2cccs2 3ca5d0c9607d22e12a1adc2c9783cddc [0,1,0,0,0,1|2,0,0]=4 646 B14R2.384 Cc1ccoc1CNc2ccoc2 08e13afc532b12a19018889f401e24ea [0,1,0,0,0,1|2,0,0]=4 647 B14R2.384 Cc1ccoc1CNc2ccsc2 81ac0ba265dad311484bb06bb8243ccc [0,1,0,0,0,1|2,0,0]=4 648 B14R2.384 Cc1ccsc1NCc2ccco2 e34250dc82437e1d01547c13b4e6d43b [0,1,0,0,0,1|2,0,0]=4 649 B14R2.384 Cc1cscc1NCc2ccco2 ba08d0e2191e080ff57975ece6a16379 [0,1,0,0,0,1|2,0,0]=4 650 B14R2.384 Cc1occc1CNc2ccco2 50ff68bb04783b0010f6ce930a486760 [0,1,0,0,0,1|2,0,0]=4 651 B14R2.384 Cc1sccc1NCc2ccco2 f72999dccd5a6680c16d15549e2df081 [0,1,0,0,0,1|2,0,0]=4 652 B14R2.384 Clc1sccc1COc2ccco2 5fb14ace68acb41613b83e8704df3fab [0,1,0,0,0,1|2,0,0]=4 653 B14R2.384 Cn1cccc1CNc2ccco2 922f5bc319151e3fc79300b067a7a7b4 [0,1,0,0,0,1|2,0,0]=4 654 B14R2.384 Cn1cccc1NCc2ccco2 5280847737a545a552551b25e3c2e555 [0,1,0,0,0,1|2,0,0]=4 655 B14R2.384 Cn1cccc1OCc2ccco2 9a01b95e8e8520a6ceff4883f928d22e [0,1,0,0,0,1|2,0,0]=4 656 B14R2.793 CC(Nc1ccco1)c2ccoc2 70f3f65a997e07bb325b004a8ddd2f44 [0,1,0,0,0,1|2,0,0]=4 657 B14R2.793 CC(Nc1ccco1)c2ccsc2 19c13b1a9522d397c4e980dbf5f0aef3 [0,1,0,0,0,1|2,0,0]=4 658 B14R2.793 CC(Nc1ccoc1)c2ccco2 b86e9eee2e9a268c06b8e2051375a038 [0,1,0,0,0,1|2,0,0]=4 659 B14R2.793 CC(Nc1ccsc1)c2ccco2 1c277ce36d579bdab562f377c6c8988b [0,1,0,0,0,1|2,0,0]=4 660 B14R2.793 CN(Cc1ccc[nH]1)c2ccco2 c23a748152d05d9e47b2c5e5c7a0aeb5 [0,1,0,0,0,1|2,0,0]=4 661 B14R2.793 CN(Cc1ccco1)c2ccsc2 fcca55e5d57c7cb464fa123866e7cf4d [0,1,0,0,0,1|2,0,0]=4 662 B14R2.793 C[C@@H](Nc1ccoc1)c2ccco2 ccc27eaabceae4ebe6e88c3c9a165a8f [0,1,0,0,0,1|2,0,0]=4 663 B14R2.793 C[C@@H](Nc1ccsc1)c2ccco2 fdec4d72f0e20e652327cf78167b6b0d [0,1,0,0,0,1|2,0,0]=4 664 B14R2.793 C[C@H](Nc1ccco1)c2ccoc2 2d456fbaf3dea0323dc815198962003b [0,1,0,0,0,1|2,0,0]=4 665 B14R2.793 C[C@H](Nc1ccco1)c2ccsc2 59849952afd1016fea3bd49a8d2acbb3 [0,1,0,0,0,1|2,0,0]=4 666 B14R2.793 O=C(CN1CC=CC1)c2ccco2 6e1f0e0c2636d35e46f5683e57110bc9 [0,1,0,0,0,1|0,0,2]=4 667 B14R2.793 O=C(Cc1ccco1)N2CC=CC2 53b0526b0b6ee2dceaffa4a1b779fa5f [0,1,0,0,0,1|0,0,2]=4 668 B14R2.83 OCC1C=CCN1Cc2ccco2 a13fe349337f3170a016d8f8ca6a9ccf [0,2,0,0,0,0|0,0,2]=4 669 B14R2.119 N#Cc1ccc(o1)CN2CC=CC2 9bb468fbabb69aa6e5846a9abde5c064 [0,2,0,0,0,0|0,0,2]=4 670 B14R2.119 O=Cc1ccc(o1)CN2CC=CC2 9b8a02f58d9a79e0a13173e68ea37fed [0,2,0,0,0,0|0,0,2]=4 671 B12R2.2 c1ccc(cc1)c2ccco2 67d5bff31c39591a62f72fefb1796923 [0,0,1,1,0,0|1,0,1]=4 672 B12R2.2 c1ccc(nc1)c2ccco2 3e8cd58e5409a07e09f07e93f6992690 [0,0,1,1,0,0|0,0,2]=4 673 B12R2.2 c1cncc(c1)n2cccc2 8bfc693cb4a89e0b86b41053c7ca8597 [0,0,1,1,0,0|1,0,1]=4 674 B12R1.297 C=CC(C=C)OCc1ccco1 9f98b807f73513a5df474a66fa3887c3 [0,0,1,0,0,1|1,0,0]=3 675 B12R1.297 C=CC(C=C)OCc1cccs1 9f86fd69028555d5a1ec0437f54146eb [0,0,1,0,0,1|1,1,0]=4 676 B12R1.297 C=CC(C=C)OCc1ccno1 5123e579c6deca89137e5cef5306131a [0,0,1,0,0,1|2,0,0]=4 677 B12R1.297 C=CC(C=C)OCc1cnco1 2b25f36bea8af08b80edff08a88c1edd [0,0,1,0,0,1|2,0,0]=4 678 B12R1.297 C=CC(C=C)OCc1ncco1 b5e7f87e257b759df7d148df7f763f94 [0,0,1,0,0,1|2,0,0]=4 679 B14R2.101 c1c[nH]c(c1)CNc2ccncc2 332afb686a555be3e67d53491a27cc87 [0,0,0,0,0,2|2,0,0]=4 680 B14R2.101 c1cc(ccn1)CNc2ncco2 990f9f010d9ebc2b8d3e0ee746ec2ac8 [0,0,0,0,0,2|2,0,0]=4 681 B14R2.101 c1cc(ccn1)NCc2ccno2 4aea4749cbecbde950c1368e5a24ed54 [0,0,0,0,0,2|2,0,0]=4 682 B14R2.101 c1cc(ccn1)NCc2cnco2 796d6385322f1b498ba2d28ae4cd57e3 [0,0,0,0,0,2|2,0,0]=4 683 B14R2.101 c1cc(ccn1)NCc2ncco2 2ca9a8c3e82a6e8cf32cabf7da75ec54 [0,0,0,0,0,2|2,0,0]=4 684 B14R2.101 c1cc(ccn1)OCc2ccno2 8bbf24d21b7fea6379d7b327bbd6e5fa [0,0,0,0,0,2|2,0,0]=4 685 B14R2.101 c1cc(ccn1)OCc2ncco2 2d2a2e86b9fb368c8baadc6af56cc5b9 [0,0,0,0,0,2|2,0,0]=4 686 B14R2.101 c1cc(ncn1)COn2ccnc2 126ce51269ae63cbcd20b329d2416a6d [0,0,0,0,0,2|2,0,0]=4 687 B14R2.101 c1ccc(cc1)CNc2cccs2 609c7d9b3f178df0826daa657c6c2233 [0,0,0,0,0,2|1,1,0]=4 688 B14R2.101 c1ccc(cc1)CNc2ccno2 dad517a8b0ab2c111da3689b701467b9 [0,0,0,0,0,2|2,0,0]=4 689 B14R2.101 c1ccc(cc1)CNc2ncco2 f67fe4a1f0ce2a4de2af150dfb673806 [0,0,0,0,0,2|2,0,0]=4 690 B14R2.101 c1ccc(cc1)COc2ccco2 a7325d36519b0e095010d207cd265305 [0,0,0,0,0,2|1,0,0]=3 691 B14R2.101 c1ccc(cc1)COc2cccs2 8831e18c4cc5a173e8f71d05f73fa480 [0,0,0,0,0,2|1,1,0]=4 692 B14R2.101 c1ccc(cc1)COn2cccn2 4e601f69470a26c7faf06f57b381ff68 [0,0,0,0,0,2|2,0,0]=4 693 B14R2.101 c1ccc(cc1)COn2ccnc2 adcaf1715f07bc0be202a2c421b5043e [0,0,0,0,0,2|2,0,0]=4 694 B14R2.101 c1ccc(cc1)NCc2ccc[nH]2 1d30fa4fbf19d866febcedea0be4dcef [0,0,0,0,0,2|2,0,0]=4 695 B14R2.101 c1ccc(cc1)NCc2ccco2 2bb95fc9ffe7aabe9bffafcf34550ade [0,0,0,0,0,2|1,0,0]=3 696 B14R2.101 c1ccc(cc1)NCc2cccs2 b5d33839e64338658cac7b8bf8e7ebbc [0,0,0,0,0,2|1,1,0]=4 697 B14R2.101 c1ccc(cc1)NCc2ccno2 c54cec933565221c524912fc8df2c3b2 [0,0,0,0,0,2|2,0,0]=4 698 B14R2.101 c1ccc(cc1)NCc2cnco2 9ffc6dab4d55356f49e3c2d8e8b18dfc [0,0,0,0,0,2|2,0,0]=4 699 B14R2.101 c1ccc(cc1)NCc2ncco2 5e7e0ec909617ca3b430fe97ddfcf65e [0,0,0,0,0,2|2,0,0]=4 700 B14R2.101 c1ccc(nc1)CNc2ccco2 638f4e130f6ac651c2d12ff3de5eefbd [0,0,0,0,0,2|1,0,0]=3 701 B14R2.101 c1ccc(nc1)CNc2cccs2 54d0bc68cf5850cb989de41541af3de4 [0,0,0,0,0,2|1,1,0]=4 702 B14R2.101 c1ccc(nc1)CNc2ccno2 6587e60445dc48a982c17248fe9d60c5 [0,0,0,0,0,2|2,0,0]=4 703 B14R2.101 c1ccc(nc1)CNc2ncco2 07b636e3530d2f1003fa161e2aa10d10 [0,0,0,0,0,2|2,0,0]=4 704 B14R2.101 c1ccc(nc1)COc2ccco2 e05a0a740f54ef54bba1ef6a910404a2 [0,0,0,0,0,2|1,0,0]=3 705 B14R2.101 c1ccc(nc1)COc2cccs2 21fc6fcc9c1599059a644c2dfd7926a4 [0,0,0,0,0,2|1,1,0]=4 706 B14R2.101 c1ccc(nc1)COn2cccn2 9c19dcb94cad135648725719060ad597 [0,0,0,0,0,2|2,0,0]=4 707 B14R2.101 c1ccc(nc1)COn2ccnc2 39f32a7fb281439f3c701f489df81b66 [0,0,0,0,0,2|2,0,0]=4 708 B14R2.101 c1ccc(nc1)NCc2ccc[nH]2 645b2a66d8a9d8395798bbef2a7c8bdb [0,0,0,0,0,2|2,0,0]=4 709 B14R2.101 c1ccc(nc1)NCc2ccco2 94877d0031eb679cd79760f5523347a6 [0,0,0,0,0,2|1,0,0]=3 710 B14R2.101 c1ccc(nc1)NCc2cccs2 3493c06e1a8e95a8073be9795f4f2c81 [0,0,0,0,0,2|1,1,0]=4 711 B14R2.101 c1ccc(nc1)NCc2ccno2 dbad0cd9e74cd496379eecdcdf92af94 [0,0,0,0,0,2|2,0,0]=4 712 B14R2.101 c1ccc(nc1)NCc2cnco2 a34f523eaec3a24d25ab60c717502181 [0,0,0,0,0,2|2,0,0]=4 713 B14R2.101 c1ccc(nc1)NCc2ncco2 2d96cbf25543662392305d3770c45299 [0,0,0,0,0,2|2,0,0]=4 714 B14R2.101 c1ccc(nc1)OCc2ccco2 d048277597f109207af1657b47d21998 [0,0,0,0,0,2|1,0,0]=3 715 B14R2.101 c1ccc(nc1)OCc2cccs2 307b87cc7892e82417f3a1e15694321a [0,0,0,0,0,2|1,1,0]=4 716 B14R2.101 c1ccc(nc1)OCc2ccno2 4231aded9b08ba7c59e820ec6798bc30 [0,0,0,0,0,2|2,0,0]=4 717 B14R2.101 c1ccc(nc1)OCc2cnco2 cb4650bc1dfc55c0e6c09d59130b639e [0,0,0,0,0,2|2,0,0]=4 718 B14R2.101 c1ccc(nc1)OCc2ncco2 59cc80bcb5d0d1239d89f49730c24761 [0,0,0,0,0,2|2,0,0]=4 719 B14R2.101 c1cnc(nc1)CNc2ccco2 ebfbe137fac9541c169df9f3c4b80363 [0,0,0,0,0,2|2,0,0]=4 720 B14R2.101 c1cnc(nc1)COc2ccco2 8ac6b6b4f794d3abc51c7886163ea6f1 [0,0,0,0,0,2|2,0,0]=4 721 B14R2.101 c1cnc(nc1)COn2cccn2 833ae11304a5b36dec3d5efc97410cc6 [0,0,0,0,0,2|2,0,0]=4 722 B14R2.101 c1cnc(nc1)COn2ccnc2 06d133b6529b0f7a5223e2d6f198b8c0 [0,0,0,0,0,2|2,0,0]=4 723 B14R2.101 c1cnc(nc1)NCc2ccco2 e118364bf83952bd70985e7ba8650995 [0,0,0,0,0,2|2,0,0]=4 724 B14R2.101 c1cnc(nc1)OCc2ccco2 085ea42393207e8843e67caf0a233b6d [0,0,0,0,0,2|2,0,0]=4 725 B14R2.101 c1cncc(c1)CNc2ccco2 8457917aa305f5a4d0b35aa0410bc9bd [0,0,0,0,0,2|1,0,0]=3 726 B14R2.101 c1cncc(c1)CNc2cccs2 36abf869783b69ead8d639f849b41979 [0,0,0,0,0,2|1,1,0]=4 727 B14R2.101 c1cncc(c1)CNc2ccno2 f6932f326fb6ff412885fc07c971fe29 [0,0,0,0,0,2|2,0,0]=4 728 B14R2.101 c1cncc(c1)CNc2ncco2 cdff936132fb1d44a3c81e5a6ac3b8f3 [0,0,0,0,0,2|2,0,0]=4 729 B14R2.101 c1cncc(c1)COc2ccco2 abbc510db29e0af4d7594a6d413b7424 [0,0,0,0,0,2|1,0,0]=3 730 B14R2.101 c1cncc(c1)COc2cccs2 4f4166f242ec1bd0d9443fa3a64c758d [0,0,0,0,0,2|1,1,0]=4 731 B14R2.101 c1cncc(c1)COn2cccn2 afb8efafd6a3b254d62fe9f68c97679f [0,0,0,0,0,2|2,0,0]=4 732 B14R2.101 c1cncc(c1)COn2ccnc2 f374a262b7d945addb8016ad896d376f [0,0,0,0,0,2|2,0,0]=4 733 B14R2.101 c1cncc(c1)NCc2ccc[nH]2 d161785653012602374dbcb080954556 [0,0,0,0,0,2|2,0,0]=4 734 B14R2.101 c1cncc(c1)NCc2ccco2 6736664fcb29bd8d216aed65ba08a3ee [0,0,0,0,0,2|1,0,0]=3 735 B14R2.101 c1cncc(c1)NCc2cccs2 2ff9d7ce125ef7e9c0a165b297abdffa [0,0,0,0,0,2|1,1,0]=4 736 B14R2.101 c1cncc(c1)NCc2ccno2 7ebb94b880e7aea344304b51937d3037 [0,0,0,0,0,2|2,0,0]=4 737 B14R2.101 c1cncc(c1)NCc2cnco2 13cbdf7e5e4749edb12dbea6d9df6890 [0,0,0,0,0,2|2,0,0]=4 738 B14R2.101 c1cncc(c1)NCc2ncco2 e912ba7e5683fbf618cb191070083bc0 [0,0,0,0,0,2|2,0,0]=4 739 B14R2.101 c1cncc(c1)OCc2ccco2 ad2c7172058cd1850caae9e7cd2c32d9 [0,0,0,0,0,2|1,0,0]=3 740 B14R2.101 c1cncc(c1)OCc2cccs2 ac57d33e65f5a9a3ffbe45c415a309fe [0,0,0,0,0,2|1,1,0]=4 741 B14R2.101 c1cncc(c1)OCc2ccno2 c43e253e1510966114b21ba86bf57ba2 [0,0,0,0,0,2|2,0,0]=4 742 B14R2.101 c1cncc(c1)OCc2cnco2 fc9258e9b46e1f7baefe4d7701afb5d5 [0,0,0,0,0,2|2,0,0]=4 743 B14R2.101 c1cncc(c1)OCc2ncco2 cedf7b9ab15c7f986ff7af0ba1478814 [0,0,0,0,0,2|2,0,0]=4 744 B14R2.101 c1cnn(c1)OCc2ccncn2 0f1ec742fc843dcc10db488fef0c5ead [0,0,0,0,0,2|2,0,0]=4 745 B14R2.101 c1cnnc(c1)CNc2ccco2 53a2552cb488316d56e7772e8ef69391 [0,0,0,0,0,2|2,0,0]=4 746 B14R2.101 c1cnnc(c1)COc2ccco2 a673524cadaf1444d6bdee9bfb8e6c61 [0,0,0,0,0,2|2,0,0]=4 747 B14R2.101 c1cnnc(c1)COn2cccn2 a15166a896055d2603939185f98d8691 [0,0,0,0,0,2|2,0,0]=4 748 B14R2.101 c1cnnc(c1)COn2ccnc2 610601242fc1fb6319b6342f365d7817 [0,0,0,0,0,2|2,0,0]=4 749 B14R2.101 c1cnnc(c1)NCc2ccco2 b8d27130c571c4d8d9883a9dded380d2 [0,0,0,0,0,2|2,0,0]=4 750 B14R2.101 c1coc(c1)CNc2ccncc2 a91adbd47f37d5abdda7f3922c52b768 [0,0,0,0,0,2|1,0,0]=3 751 B14R2.101 c1coc(c1)CNc2ccncn2 16260556e3981809d225110bb4658982 [0,0,0,0,0,2|2,0,0]=4 752 B14R2.101 c1coc(c1)CNc2ccnnc2 2edc0c5488ced34d70abe1e3583a4459 [0,0,0,0,0,2|2,0,0]=4 753 B14R2.101 c1coc(c1)CNc2cnccn2 c8709a118c670536ced71719a1f77dc7 [0,0,0,0,0,2|2,0,0]=4 754 B14R2.101 c1coc(c1)CNc2cncnc2 3cdabc414ec2591f4359fe550a2f1b0e [0,0,0,0,0,2|2,0,0]=4 755 B14R2.101 c1coc(c1)COc2ccncc2 baeba2663ca02b63a9625adeb1143a85 [0,0,0,0,0,2|1,0,0]=3 756 B14R2.101 c1coc(c1)COc2ccnnc2 24bf8d98dd175de47f1ef7c72747a12c [0,0,0,0,0,2|2,0,0]=4 757 B14R2.101 c1coc(c1)COc2cnccn2 8dbbeb7529ff60eb3def9f6c23158b83 [0,0,0,0,0,2|2,0,0]=4 758 B14R2.101 c1coc(c1)COc2cncnc2 89546c0e0cced7ba688ec19f5670a483 [0,0,0,0,0,2|2,0,0]=4 759 B14R2.101 c1coc(c1)NCc2ccncc2 1d7aef4d6ad0f2c953b09f658702e66c [0,0,0,0,0,2|1,0,0]=3 760 B14R2.101 c1coc(c1)NCc2ccncn2 f90e72af99a5ebdbed44c31d963bedda [0,0,0,0,0,2|2,0,0]=4 761 B14R2.101 c1coc(c1)NCc2ccnnc2 0d52e47c4e0df2df10485a2756e53500 [0,0,0,0,0,2|2,0,0]=4 762 B14R2.101 c1coc(c1)NCc2cnccn2 0c71ef2439723f76184b2916a916834a [0,0,0,0,0,2|2,0,0]=4 763 B14R2.101 c1coc(c1)OCc2ccncn2 7a7e59a1cbbae5d32e4c436d0d2cb015 [0,0,0,0,0,2|2,0,0]=4 764 B14R2.101 c1coc(c1)OCc2cncnc2 5be62bc46b99c1b6cac7aca767f5ce1f [0,0,0,0,0,2|2,0,0]=4 765 B14R2.101 c1csc(c1)CNc2ccncc2 d3f970dcecbb1daf409b3bc950278f4b [0,0,0,0,0,2|1,1,0]=4 766 B14R2.101 c1csc(c1)COc2ccncc2 b067167e35bcf1d927eed2edf51de3bb [0,0,0,0,0,2|1,1,0]=4 767 B14R2.101 c1csc(c1)NCc2ccncc2 434a87cb1f1282d43b0d9fdc2f252257 [0,0,0,0,0,2|1,1,0]=4 768 B14R2.322 c1c[nH]c(c1)CCNc2ccco2 b3cf29a51ce36701a89744cbfcd30a4a [0,0,0,0,0,2|2,0,0]=4 769 B14R2.322 c1c[nH]c(c1)CNCc2ccco2 e39c75bcd55e135257272833622be21b [0,0,0,0,0,2|2,0,0]=4 770 B14R2.322 c1c[nH]c(c1)COCc2ccco2 b6da49e6e206aaba4a70f8c13b28c918 [0,0,0,0,0,2|2,0,0]=4 771 B14R2.322 c1ccn(c1)CCNc2c[nH]cn2 8f56901234ddbee0a69a6df511c1534d [0,0,0,0,0,2|2,0,0]=4 772 B14R2.322 c1ccn(c1)CCNc2cc[nH]n2 45769149d784a97a4d421f0a6a0846e8 [0,0,0,0,0,2|2,0,0]=4 773 B14R2.322 c1ccn(c1)CCNc2ccno2 5e706cd388578a71a953a385d5f08255 [0,0,0,0,0,2|1,0,0]=3 774 B14R2.322 c1ccn(c1)CCNc2ccns2 5edffac267031b97f71bea2fa6e6da5d [0,0,0,0,0,2|1,1,0]=4 775 B14R2.322 c1ccn(c1)CCNc2ccoc2 be0e05f8ca6fcb50bc3983fafffecd8a [0,0,0,0,0,2|2,0,0]=4 776 B14R2.322 c1ccn(c1)CCNc2ccon2 4ccfe8ef945b6126e40352d2a033acc3 [0,0,0,0,0,2|2,0,0]=4 777 B14R2.322 c1ccn(c1)CCNc2ccsc2 5c62869ada74d998ca531fdb1997d708 [0,0,0,0,0,2|2,0,0]=4 778 B14R2.322 c1ccn(c1)CCNc2ccsn2 15f23cbd744b1707be1632b94865d076 [0,0,0,0,0,2|2,0,0]=4 779 B14R2.322 c1ccn(c1)CCNc2cncs2 1604f8338b9077337b07cf1fbd161335 [0,0,0,0,0,2|1,1,0]=4 780 B14R2.322 c1ccn(c1)CCNc2cocn2 f0a3077456ff81cf2fc9a4d17775f034 [0,0,0,0,0,2|2,0,0]=4 781 B14R2.322 c1ccn(c1)CCNc2cscn2 f5d182e9d3b3315cd86dc01c7c977899 [0,0,0,0,0,2|2,0,0]=4 782 B14R2.322 c1ccn(c1)CCNc2ncc[nH]2 29183ff078114f9d0221c48a3bad7f09 [0,0,0,0,0,2|2,0,0]=4 783 B14R2.322 c1ccn(c1)CCNc2ncco2 5520d2e1abf1eee4bdb72d10cd6c18a5 [0,0,0,0,0,2|1,0,0]=3 784 B14R2.322 c1ccn(c1)CCNc2nccs2 7ec28838a8413aa3dc3a80ffcf596a40 [0,0,0,0,0,2|1,1,0]=4 785 B14R2.322 c1ccn(c1)CCNc2nnco2 9018f5f83ea51aec756f4f7f693e7257 [0,0,0,0,0,2|2,0,0]=4 786 B14R2.322 c1ccn(c1)CCOc2c[nH]cn2 d166941f6dc280486acba1197da65e28 [0,0,0,0,0,2|2,0,0]=4 787 B14R2.322 c1ccn(c1)CCOc2ccn[nH]2 e79c968b796bf746c7e377273c1ef1e8 [0,0,0,0,0,2|2,0,0]=4 788 B14R2.322 c1ccn(c1)CCOc2ccsc2 ae9a259da430978d77d602c9163332fc [0,0,0,0,0,2|2,0,0]=4 789 B14R2.322 c1ccn(c1)CCOc2nccs2 d980a1d4ea357d00f111addcc149c7fc [0,0,0,0,0,2|1,1,0]=4 790 B14R2.322 c1ccn(c1)CCOn2cccn2 df326fda7231487c357e9eb40fb7af55 [0,0,0,0,0,2|2,0,0]=4 791 B14R2.322 c1cn(cn1)CCNc2ccno2 0ff304c08640b5bbeb083ecae203d46f [0,0,0,0,0,2|2,0,0]=4 792 B14R2.322 c1cn(cn1)CCNc2ncco2 cc58d2bf5d1ee9cc4677e383553fa3eb [0,0,0,0,0,2|2,0,0]=4 793 B14R2.322 c1cn(cn1)COCc2ccno2 12c5621912cf95cd6c6d968ca4d195e3 [0,0,0,0,0,2|2,0,0]=4 794 B14R2.322 c1cn(cn1)COCc2cnco2 e11e6fb7e2f9a155c8f44baa0fa7117c [0,0,0,0,0,2|2,0,0]=4 795 B14R2.322 c1cn(cn1)COCc2ncco2 019d330b4bebe25b477dcb3205474c6c [0,0,0,0,0,2|2,0,0]=4 796 B14R2.322 c1cnn(c1)CCNc2ccno2 768883c274f568780ca8b0fbd18ddd2c [0,0,0,0,0,2|2,0,0]=4 797 B14R2.322 c1cnn(c1)CCNc2cnco2 140be9d18edd144532256e8fce1ddfcf [0,0,0,0,0,2|2,0,0]=4 798 B14R2.322 c1cnn(c1)CCNc2ncco2 358919aacb2cfcd776710072e18d6932 [0,0,0,0,0,2|2,0,0]=4 799 B14R2.322 c1cnn(c1)COCc2ccno2 3df206193515ce2504ca5fbeb2963644 [0,0,0,0,0,2|2,0,0]=4 800 B14R2.322 c1cnn(c1)COCc2cnco2 3a8c9e9a4752e766da88ca0d3ce313aa [0,0,0,0,0,2|2,0,0]=4 801 B14R2.322 c1cnn(c1)COCc2ncco2 e37d3e1e2c974605b751c28d80ebcd5b [0,0,0,0,0,2|2,0,0]=4 802 B14R2.322 c1coc(c1)CCNc2ccco2 d3eeb666fa606f145437f98184f98aec [0,0,0,0,0,2|2,0,0]=4 803 B14R2.322 c1coc(c1)CCNc2cccs2 5fec46e54ae52412997acb959318cacb [0,0,0,0,0,2|2,0,0]=4 804 B14R2.322 c1coc(c1)CCNc2ccoc2 a5b73d56d38a43335163b3ffed42f606 [0,0,0,0,0,2|2,0,0]=4 805 B14R2.322 c1coc(c1)CCNc2ccsc2 71e701ec9b8da510d523daced9dc7133 [0,0,0,0,0,2|2,0,0]=4 806 B14R2.322 c1coc(c1)CNCc2cc[nH]c2 f690c6f12aa266c93ac545b8c8172117 [0,0,0,0,0,2|2,0,0]=4 807 B14R2.322 c1coc(c1)CNCc2ccco2 767f72912df6d70016d3030db7fc186e [0,0,0,0,0,2|2,0,0]=4 808 B14R2.322 c1coc(c1)CNCc2cccs2 a200fb1b8a38606a6e86e238de6ee40a [0,0,0,0,0,2|2,0,0]=4 809 B14R2.322 c1coc(c1)CNCc2ccoc2 d5e0a8737024c9de2a2d9bb3346db803 [0,0,0,0,0,2|2,0,0]=4 810 B14R2.322 c1coc(c1)CNCc2ccsc2 47f0fbef06141e474800aa8ddb514036 [0,0,0,0,0,2|2,0,0]=4 811 B14R2.322 c1coc(c1)CNCn2nccn2 722b4db6d899c59b72848d9238576acc [0,0,0,0,0,2|2,0,0]=4 812 B14R2.322 c1coc(c1)COCc2cc[nH]c2 9a93c7d2015a5c689c1a58572c557bda [0,0,0,0,0,2|2,0,0]=4 813 B14R2.322 c1coc(c1)COCc2ccco2 7bdb362ec758eceb268e907aae4d4d74 [0,0,0,0,0,2|2,0,0]=4 814 B14R2.322 c1coc(c1)COCc2cccs2 7519d9c2614590cbd2377289b627b893 [0,0,0,0,0,2|2,0,0]=4 815 B14R2.322 c1coc(c1)COCc2ccoc2 0654c2a514870ec3258ca4a20bc32202 [0,0,0,0,0,2|2,0,0]=4 816 B14R2.322 c1coc(c1)COCc2ccsc2 2e99ca5f2d6d22a6faa64b385d60ac64 [0,0,0,0,0,2|2,0,0]=4 817 B14R2.322 c1coc(c1)COCn2cccn2 45f4c270433b98e57fcc3cebc735e810 [0,0,0,0,0,2|1,0,0]=3 818 B14R2.322 c1coc(c1)COCn2ccnc2 68e406bfcd9d8e1058952a200b4d59a8 [0,0,0,0,0,2|1,0,0]=3 819 B14R2.322 c1coc(c1)COCn2cncn2 13583778e0e8059f8caec1bc7671d3f4 [0,0,0,0,0,2|2,0,0]=4 820 B14R2.322 c1coc(c1)COCn2nccn2 d81a98cc38398bec0dd9d9ef81e861eb [0,0,0,0,0,2|2,0,0]=4 821 B14R2.322 c1coc(c1)NCCc2ccsc2 e14cc9d7f5f1c22d07708118715f462c [0,0,0,0,0,2|2,0,0]=4 822 B14R2.322 c1coc(c1)NCCn2cccc2 25bc60e0720aadba428e25abf071da94 [0,0,0,0,0,2|0,0,0]=2 823 B14R2.322 c1coc(c1)NCCn2cccn2 d24fb64600f8de4b30bf812bbe276c2e [0,0,0,0,0,2|1,0,0]=3 824 B14R2.322 c1coc(c1)NCCn2ccnc2 953d04c8e359b9f988df564129141e4a [0,0,0,0,0,2|1,0,0]=3 825 B14R2.322 c1coc(c1)NCCn2ccnn2 c47fe69747433084b5eea1a7073b98dd [0,0,0,0,0,2|2,0,0]=4 826 B14R2.322 c1coc(c1)OCCc2cccs2 6ef8a6f0f5adea30a1d370190a2e0d33 [0,0,0,0,0,2|2,0,0]=4 827 B14R2.322 c1coc(c1)OCCc2ccsc2 92db738c4798fb49ce9e553863daed29 [0,0,0,0,0,2|2,0,0]=4 828 B14R2.322 c1coc(c1)OCCn2cccc2 3e194b3e8752bfd4bd82dd80593ef88a [0,0,0,0,0,2|0,0,0]=2 829 B14R2.322 c1coc(c1)OCCn2cccn2 448c033f8ee9646b3aa059a618d905ff [0,0,0,0,0,2|1,0,0]=3 830 B14R2.322 c1coc(c1)OCCn2ccnc2 0faac7d0ac9f01e805b1449259d621b8 [0,0,0,0,0,2|1,0,0]=3 831 B14R2.322 c1coc(c1)OCCn2cncn2 b6983d599b5131395ef8db22175b940e [0,0,0,0,0,2|2,0,0]=4 832 B14R2.322 c1coc(c1)OCCn2nccn2 23517d407f26ef92c7e3cbe2189cc689 [0,0,0,0,0,2|2,0,0]=4 833 B14R2.322 c1csc(c1)CCOn2cccn2 f904beb3193de512b6dfe3d23dda442e [0,0,0,0,0,2|1,1,0]=4 834 B14R2.322 c1csc(c1)CCOn2ccnc2 905262f12ed0a09b1d5c3a3727535d3b [0,0,0,0,0,2|1,1,0]=4 835 B14R2.322 c1csc(c1)COCn2cccn2 6abb270b5e87a65a03576834f15f2378 [0,0,0,0,0,2|1,1,0]=4 836 B14R2.322 c1csc(c1)COCn2ccnc2 2bfd10a1402d563122f72d6ecc3c4d90 [0,0,0,0,0,2|1,1,0]=4 837 B14R2.322 c1csc(c1)NCCn2cccc2 1154d54a92052403c310d0d7561d43d5 [0,0,0,0,0,2|0,1,0]=3 838 B14R2.322 c1csc(c1)NCCn2cccn2 19d045c221dfd4939708b116d0adddb5 [0,0,0,0,0,2|1,1,0]=4 839 B14R2.322 c1csc(c1)NCCn2ccnc2 44b8a8d48868b40885120e1aace7e275 [0,0,0,0,0,2|1,1,0]=4 840 B14R2.322 c1csc(c1)OCCn2cccc2 1d943a4b6378191efbf8e4ef8d3e6086 [0,0,0,0,0,2|0,1,0]=3 841 B14R2.322 c1csc(c1)OCCn2cccn2 8ea86085110c7185197fc1a100da5f41 [0,0,0,0,0,2|1,1,0]=4 842 B14R2.322 c1csc(c1)OCCn2ccnc2 23519f0448439bcdc8c0fe88c5f977bd [0,0,0,0,0,2|1,1,0]=4