0 B22R3.23485149 C=C(I)[C@H](C)CN1c2ccccc2Sc3c1nccc3 e43f1a995b83653bfb9832e78015be5b [0,0,0,0,0,0|2,0,1]=3 1 B22R3.23485149 CC(=O)C(=O)CN1c2ccccc2Sc3c1nccc3 f94978536373241c31c972e124deffe0 [0,0,0,0,0,0|3,0,1]=4 2 B22R3.23485149 CC(C)C(=O)CN1c2ccccc2Sc3c1nccc3 767332af5b1c0b725993f29f018d3885 [0,0,0,0,0,0|2,0,1]=3 3 B22R3.23485149 CC(C)C(C)CN1c2ccccc2Cc3c1cccc3 ef1b12a0e903c2ba306bf997aa0f193c [0,0,0,0,0,0|3,0,0]=3 4 B22R3.23485149 CC(C)C(C)CN1c2ccccc2Oc3c1ccnc3 dd587540570425203900d20834a7e80c [0,0,0,0,0,0|3,1,0]=4 5 B22R3.23485149 CC(C)C(C)CN1c2ccccc2Sc3c1cccc3 e1f43322a2194366ed90e7d098130f4f [0,0,0,0,0,0|2,0,0]=2 6 B22R3.23485149 CC(C)C(C)CN1c2ccccc2Sc3c1nccc3 2a522399c4b075a3377117cd14b4a751 [0,0,0,0,0,0|1,0,0]=1 7 B22R3.23485149 CC(CN1c2ccccc2Sc3c1nccc3)C(=O)O b304d647462e1b369a0c7383970f7d30 [0,0,0,0,0,0|3,0,0]=3 8 B22R3.23485149 CN(C)C(=O)CN1c2ccccc2Cc3c1cccc3 1538d70f55732e5e1dddfee0704b18a3 [0,0,0,0,0,0|3,0,1]=4 9 B22R3.23485149 CN(C)C(=O)CN1c2ccccc2Oc3c1cccc3 d6300134880c37c057c6c00777f1fda5 [0,0,0,0,0,0|2,1,1]=4 10 B22R3.23485149 CN(C)C(=O)CN1c2ccccc2Sc3c1cccc3 ccbc49996acaca7aab112b8fc9a13706 [0,0,0,0,0,0|2,0,1]=3 11 B22R3.23485149 CN(C)C(=O)CN1c2ccccc2Sc3c1nccc3 cb12c9b7d511010e90575781c48b6d1e [0,0,0,0,0,0|1,0,1]=2 12 B22R3.23485149 O=C(O)C(O)CN1c2ccccc2Sc3c1nccc3 84e05941cce8523e46c39aae63812220 [0,0,0,0,0,0|4,0,0]=4 13 B22R3.23485149 O=C(O)[C@@H](O)CN1c2ccccc2Sc3c1nccc3 bc32f096345c3426b0c377981908c8f5 [0,0,0,0,0,0|4,0,0]=4 14 B22R3.23485149 OC(CN1c2ccccc2Sc3c1nccc3)C(F)F e5b9d46164591f63cb7798c94c50e989 [0,0,0,0,0,0|4,0,0]=4 15 B21R3.7877738 C/C(=C/CN1c2ccccc2Sc3c1nccc3)/I b09fb2388b724bf70c0513250025c98a [1,0,0,0,0,0|2,0,1]=4 16 B21R3.7877738 C/C(=C\CN1c2ccccc2Sc3c1nccc3)/Cl 48de2d0427670904c07088e5cdbe0526 [1,0,0,0,0,0|2,0,1]=4 17 B21R3.7877738 C=C(C)CCN1c2ccccc2Sc3c1nccc3 363e2e1d68bebabfa3c2c8894f01f21f [1,0,0,0,0,0|1,0,1]=3 18 B21R3.7877738 CC(=CCN1c2ccccc2Sc3c1cccc3)C 704e37e2eb9f441160e48a2370dc3130 [1,0,0,0,0,0|2,0,1]=4 19 B21R3.7877738 CC(=CCN1c2ccccc2Sc3c1nccc3)C 22f8e07c7ff5fc1032d0e3a34aa1a458 [1,0,0,0,0,0|1,0,1]=3 20 B21R3.7877738 CC(=CCN1c2ccccc2Sc3c1nccc3)Cl 6ef8f42e6f238471269c10544b942d77 [1,0,0,0,0,0|2,0,1]=4 21 B21R3.7877738 CC(=CCN1c2ccccc2Sc3c1nccc3)I 2e581a7879887c760a6de475d0bcc4fc [1,0,0,0,0,0|2,0,1]=4 22 B21R3.7877738 CC(=O)CCN1c2ccccc2Sc3c1nccc3 b5cc936a8425d848a48f065a979ba290 [1,0,0,0,0,0|2,0,0]=3 23 B21R3.7877738 CC(=O)OCN1c2ccccc2Sc3c1nccc3 b614975f0106e141a2e179a58532fe70 [1,0,0,0,0,0|3,0,0]=4 24 B21R3.7877738 CC(C)CCN1c2ccccc2Cc3c1cccc3 46c23c7c03e9cd5c122c33c7246585a7 [1,0,0,0,0,0|3,0,0]=4 25 B21R3.7877738 CC(C)CCN1c2ccccc2Oc3c1cccc3 1b499d8e9eb3c04e26f68431f12af935 [1,0,0,0,0,0|2,1,0]=4 26 B21R3.7877738 CC(C)CCN1c2ccccc2Sc3c1cccc3 fabad0d2f98a2c7f26dcf3ead248c400 [1,0,0,0,0,0|2,0,0]=3 27 B21R3.7877738 CC(C)CCN1c2ccccc2Sc3c1nccc3 abb4ecac221dede1e40fd8978f923701 [1,0,0,0,0,0|1,0,0]=2 28 B21R3.7877738 CC(O)CCN1c2ccccc2Sc3c1cccc3 b76ec7773e9b7a5d6973dc2f2223320d [1,0,0,0,0,0|3,0,0]=4 29 B21R3.7877738 CC(O)CCN1c2ccccc2Sc3c1nccc3 d3623f01c58bf6ae0e01e8f9e3a05ae1 [1,0,0,0,0,0|2,0,0]=3 30 B21R3.7877738 CN(C)CCN1c2ccccc2Oc3c1ccnc3 ede4538e2cbc26a0dbc73d7d3329d490 [1,0,0,0,0,0|2,1,0]=4 31 B21R3.7877738 CN(C)CCN1c2ccccc2Sc3c1nccc3 6679df9397fc3f1da54a49ad73cba797 [1,0,0,0,0,0|0,0,0]=1 32 B21R3.7877738 CN(C)COC1c2ccccc2Sc3c1cccc3 9a5fa27c6762a7492576074a97bfaf1a [1,0,0,0,0,0|3,0,0]=4 33 B21R3.7877738 CS(=O)CCN1c2ccccc2Sc3c1nccc3 7b92591b304a3033aa952fac8ad81713 [1,0,0,0,0,0|2,0,0]=3 34 B21R3.7877738 NC(=O)CCN1c2ccccc2Sc3c1nccc3 5c8b2e8180d6afe7f18f0ac2266fb015 [1,0,0,0,0,0|3,0,0]=4 35 B21R3.7877738 O=C(O)CCN1c2ccccc2Sc3c1nccc3 92d0d4b4e47f8661253792e12ad236c7 [1,0,0,0,0,0|3,0,0]=4 36 B21R3.9759201 C=C(CN1c2ccccc2Sc3c1nccc3)OC 3882a3347ddefe23a89dc5c74aa0e3c6 [1,0,0,0,0,0|1,0,2]=4 37 B21R3.9759201 CC(C#N)CN1c2ccccc2Sc3c1nccc3 da0dc7d1283a0dc54b07c2a74b02611b [1,0,0,0,0,0|2,0,0]=3 38 B21R3.9759201 CC(CO)CN1c2ccccc2Sc3c1cccc3 5af49aeb433dab87fb38a45ad91f9864 [1,0,0,0,0,0|3,0,0]=4 39 B21R3.9759201 CC(CO)CN1c2ccccc2Sc3c1nccc3 6156557b80d2ee3441e17ab2ff00f0b8 [1,0,0,0,0,0|2,0,0]=3 40 B21R3.9759201 CCC(=O)CN1c2ccccc2Sc3c1nccc3 bad363b4c4a744e8e4e12ab3878ffecc [1,0,0,0,0,0|2,0,1]=4 41 B21R3.9759201 CCC(C)CN1c2ccccc2Sc3c1nccc3 eb5e50f8e37c3b83ec486d431fdcbbfb [1,0,0,0,0,0|1,0,0]=2 42 B21R3.9759201 CCC(O)CN1c2ccccc2Sc3c1nccc3 d7e139e6efac17d44881084f23db4627 [1,0,0,0,0,0|2,0,0]=3 43 B21R3.9759201 CC[C@@H](C)CN1c2ccccc2Sc3c1nccc3 2a0d3c4736b038c08e5ef3785db7d4be [1,0,0,0,0,0|1,0,0]=2 44 B21R3.9759201 CC[C@H](C)CN1c2ccccc2Sc3c1nccc3 6649fef09b84e4894dc8c22ab39b67bc [1,0,0,0,0,0|1,0,0]=2 45 B21R3.9759201 CNC(=O)CN1c2ccccc2Sc3c1cccc3 23ca746ed2f409e178519e0e8a5ad72c [1,0,0,0,0,0|2,0,1]=4 46 B21R3.9759201 CNC(=O)CN1c2ccccc2Sc3c1nccc3 c13a0fcf3010245bfa50fc709432c06f [1,0,0,0,0,0|1,0,1]=3 47 B21R3.9759201 COC(=O)CN1c2ccccc2Sc3c1nccc3 6ffec06a49ed72618fb88055cf80da2d [1,0,0,0,0,0|2,0,1]=4 48 B21R3.9759201 COC(C)CN1c2ccccc2Cc3c1cccc3 a312b4780952052e7d52bc621a78b257 [1,0,0,0,0,0|3,0,0]=4 49 B21R3.9759201 COC(C)CN1c2ccccc2Oc3c1cccc3 08ae953efdeb974ee3c039d20a55efa3 [1,0,0,0,0,0|2,1,0]=4 50 B21R3.9759201 COC(C)CN1c2ccccc2Sc3c1cccc3 b608a14f8d33a43eefdd3776cbd96f6c [1,0,0,0,0,0|2,0,0]=3 51 B21R3.9759201 COC(C)CN1c2ccccc2Sc3c1nccc3 5508196a4da5af4694fde557a8622c33 [1,0,0,0,0,0|1,0,0]=2 52 B21R3.9759201 CO[C@@H](C)CN1c2ccccc2Cc3c1cccc3 6711dfd67c9646dbd58bd74523c05179 [1,0,0,0,0,0|3,0,0]=4 53 B21R3.9759201 CO[C@@H](C)CN1c2ccccc2Oc3c1cccc3 0c49b416715f830021213bb90da86dd5 [1,0,0,0,0,0|2,1,0]=4 54 B21R3.9759201 CO[C@@H](C)CN1c2ccccc2Sc3c1cccc3 ccef637c44cd44c4047a2c09efcdd6ea [1,0,0,0,0,0|2,0,0]=3 55 B21R3.9759201 CO[C@@H](C)CN1c2ccccc2Sc3c1nccc3 a9cf167941646a1e6a3e17da539ec955 [1,0,0,0,0,0|1,0,0]=2 56 B21R3.9759201 CO[C@H](C)CN1c2ccccc2Cc3c1cccc3 35e7f12a0141c944e9e26eaa06276cb7 [1,0,0,0,0,0|3,0,0]=4 57 B21R3.9759201 CO[C@H](C)CN1c2ccccc2Oc3c1cccc3 22c1d478d3844608f111edfab114af71 [1,0,0,0,0,0|2,1,0]=4 58 B21R3.9759201 CO[C@H](C)CN1c2ccccc2Sc3c1cccc3 cc1f34878ba0b63d2617e81c0d6ae1af [1,0,0,0,0,0|2,0,0]=3 59 B21R3.9759201 CO[C@H](C)CN1c2ccccc2Sc3c1nccc3 8fae28944dfa9cdbd09ef25785b163e5 [1,0,0,0,0,0|1,0,0]=2 60 B21R3.9759201 C[C@@H](CO)CN1c2ccccc2Sc3c1cccc3 95712b47a38750ea6a6108d0d6726832 [1,0,0,0,0,0|3,0,0]=4 61 B21R3.9759201 C[C@@H](CO)CN1c2ccccc2Sc3c1nccc3 ea568835e89b83c2eb207eb8234b74d1 [1,0,0,0,0,0|2,0,0]=3 62 B21R3.9759201 C[C@H](CO)CN1c2ccccc2Sc3c1cccc3 f48fc5bdb7c6ea2dd13832dacff0a725 [1,0,0,0,0,0|3,0,0]=4 63 B21R3.9759201 C[C@H](CO)CN1c2ccccc2Sc3c1nccc3 c63462454d83f55fa6f7a1df7662f32d [1,0,0,0,0,0|2,0,0]=3 64 B21R3.9759201 OC(CF)CN1c2ccccc2Sc3c1nccc3 4895a6ad79964288b59e6e7ae49c078b [1,0,0,0,0,0|3,0,0]=4 65 B21R3.9759201 OCC(O)CN1c2ccccc2Sc3c1nccc3 56d49fe75cb9b2ee1ea90249ad8dd7e7 [1,0,0,0,0,0|3,0,0]=4 66 B21R3.9759201 OC[C@@H](O)CN1c2ccccc2Sc3c1nccc3 e0df0f9ea68bd8d6706e2431e8ef563b [1,0,0,0,0,0|3,0,0]=4 67 B21R3.9759201 OC[C@H](O)CN1c2ccccc2Sc3c1nccc3 2c27071c7d7441fd4a56d6d9538930d9 [1,0,0,0,0,0|3,0,0]=4 68 B23R3.17308 CC(C)C(C)CN1c2ccccc2Sc3c1ccc(c3)F f1ebd1716ac868a1fddcaeb8c7a8dfc0 [0,1,0,0,0,0|2,0,0]=3 69 B23R3.17308 CN(C)C(=O)CN1c2ccccc2Sc3c1ccc(c3)Br 3681fdbbb1e9c25c8cf19795686e8f84 [0,1,0,0,0,0|2,0,1]=4 70 B23R3.17308 CN(C)C(=O)CN1c2ccccc2Sc3c1ccc(c3)F ef61b0e90ecc5460a237d089f85cf212 [0,1,0,0,0,0|2,0,1]=4 71 B23R3.675397 CN(C)C(=O)CN1c2ccccc2Sc3c1cccc3Cl b3fd6145096ac19d9fb5768f1d1d9bde [0,1,0,0,0,0|2,0,1]=4 72 B23R3.675731 CN(C)C(=O)CN1c2ccccc2Sc3c1c(ccc3)Cl 8ba30cdfd23e5fd959465141252e7abf [0,1,0,0,0,0|2,0,1]=4 73 B23R3.3033242 CC(CN1c2ccccc2Sc3c1cccc3)N(C)C=O 01231b198d5e1d597326bada1f9a27de [0,1,0,0,0,0|1,0,1]=3 74 B23R3.3033242 CCN(C)C(=O)CN1c2ccccc2Sc3c1cccc3 9310d8105adc1a7ac7556434488ea78e [0,1,0,0,0,0|2,0,1]=4 75 B23R3.3033242 CCN(C)C(=O)CN1c2ccccc2Sc3c1nccc3 0dffefec23410f5da2f7fe3c5a37dd80 [0,1,0,0,0,0|1,0,1]=3 76 B23R3.3033242 COC(=O)C(C)CN1c2ccccc2Sc3c1cccc3 432c7727e0b6b2cdd981e5537a48dd26 [0,1,0,0,0,0|3,0,0]=4 77 B23R3.3033242 COC(=O)C(C)CN1c2ccccc2Sc3c1nccc3 bc77f34b2062c081a13da8b8508f24e6 [0,1,0,0,0,0|2,0,0]=3 78 B23R3.3033242 COC(=O)C(O)CN1c2ccccc2Sc3c1nccc3 f36fe8c6d3097e3405d26ac306328a9b [0,1,0,0,0,0|3,0,0]=4 79 B23R3.3033242 COC(=O)[C@@H](C)CN1c2ccccc2Sc3c1cccc3 a93de3d751a8aeea6cc9f6efcde57e61 [0,1,0,0,0,0|3,0,0]=4 80 B23R3.3033242 COC(=O)[C@@H](C)CN1c2ccccc2Sc3c1nccc3 eaeaf183ff48c0de5a3fcf74f98a186b [0,1,0,0,0,0|2,0,0]=3 81 B23R3.3033242 COC(=O)[C@H](C)CN1c2ccccc2Sc3c1cccc3 e6e3b1646e4bad847466f1c33bfd0fac [0,1,0,0,0,0|3,0,0]=4 82 B23R3.3033242 COC(=O)[C@H](C)CN1c2ccccc2Sc3c1nccc3 92ac24a053df4ba311f8a522fc68a003 [0,1,0,0,0,0|2,0,0]=3 83 B23R3.3033242 CON(C)C(=O)CN1c2ccccc2Sc3c1cccc3 0e595466ef96ca96568c83ad457d0f95 [0,1,0,0,0,0|2,0,1]=4 84 B23R3.3033242 CON(C)C(=O)CN1c2ccccc2Sc3c1nccc3 87b510ed5cb4c5b64ad95ea217f04aeb [0,1,0,0,0,0|1,0,1]=3 85 B23R3.10326070 CC(C)C(C)CN1c2ccccc2Sc3c1cc(cc3)F 5c89dd1bf77b643a3045dd7e151824f3 [0,1,0,0,0,0|2,0,0]=3 86 B23R3.10326070 CN(C)C(=O)CN1c2ccccc2Sc3c1cc(cc3)Br 5db2f5e7558aea7ae87e82a0708ea198 [0,1,0,0,0,0|2,0,1]=4 87 B23R3.10326070 CN(C)C(=O)CN1c2ccccc2Sc3c1cc(cc3)Cl 985f091f06e9b1644b0590f89eaf7ae5 [0,1,0,0,0,0|2,0,1]=4 88 B23R3.10326070 CN(C)C(=O)CN1c2ccccc2Sc3c1cc(cc3)F 3589fe08875749ddc5121b917dc71a66 [0,1,0,0,0,0|2,0,1]=4 89 B23R3.74464677 CC(C(=O)N1c2ccccc2Sc3c1cccc3)N(C)C 19e133d541738e0ac387feb2457d9d81 [0,1,0,0,0,0|1,0,1]=3 90 B23R3.74464677 CC(C)C(O)C(=O)N1c2ccccc2Sc3c1nccc3 99da8c4d130bfa289e4c222220910063 [0,1,0,0,0,0|2,0,1]=4 91 B23R3.74464677 CC(C)[C@@H](O)C(=O)N1c2ccccc2Sc3c1nccc3 4c92f6d0bf8d69334c41677a04206645 [0,1,0,0,0,0|2,0,1]=4 92 B23R3.74464677 CC(C)[C@H](O)C(=O)N1c2ccccc2Sc3c1nccc3 24df39679785c8d59caab193d6a93eb8 [0,1,0,0,0,0|2,0,1]=4 93 B23R3.74464677 CN(C)C(=O)C(=O)N1c2ccccc2Sc3c1nccc3 dd6ca0c3c7b3bf754025a9b42b512b7d [0,1,0,0,0,0|1,0,2]=4 94 B23R3.74464677 C[C@@H](C(=O)N1c2ccccc2Sc3c1cccc3)N(C)C 7b639f866824142fbb0bdb5da465311d [0,1,0,0,0,0|1,0,1]=3 95 B23R3.74464677 C[C@H](C(=O)N1c2ccccc2Sc3c1cccc3)N(C)C 78fdd1687a009ee805081ed933a2e7a8 [0,1,0,0,0,0|1,0,1]=3 96 B23R3.149608436 CC(C)(CN1c2ccccc2Sc3c1nccc3)C(=O)F 32756b45da48a35d04ac96c7ba9f0ae6 [0,1,0,0,0,0|3,0,0]=4 97 B23R3.149608436 CC(C)(CN1c2ccccc2Sc3c1nccc3)C(=O)N 563895249bfdd1c35d5cf0f6237b0549 [0,1,0,0,0,0|3,0,0]=4 98 B23R3.149608436 CC(C)C(C)(C)CN1c2ccccc2Sc3c1nccc3 06249a669854ee05f9d377858875c763 [0,1,0,0,0,0|1,0,0]=2 99 B23R3.149608436 CN(C)S(=O)(=O)CN1c2ccccc2Sc3c1nccc3 7ee1a5c55bdb30302413956eba76f6ca [0,1,0,0,0,0|2,0,0]=3 100 B23R3.151462435 CC(C)(C)C(=O)CN1c2ccccc2Sc3c1nccc3 9a4a9e4ae12e6f01b93dbf7e6a786b1e [0,1,0,0,0,0|2,0,1]=4 101 B23R3.151462435 CC(C)(O)C(=O)CN1c2ccccc2Sc3c1nccc3 a0c96ce13af2895adebfbc8b300a9f4b [0,1,0,0,0,0|2,0,1]=4 102 B23R3.248107346 CC(C)C(CO)CN1c2ccccc2Cc3c1cccc3 6d988d2f4afde8ef69cce3d6ae7a6e24 [0,1,0,0,0,0|3,0,0]=4 103 B23R3.248107346 CC(C)C(CO)CN1c2ccccc2Oc3c1cccc3 8e408811f4c589a679c690ae518c1e9a [0,1,0,0,0,0|2,1,0]=4 104 B23R3.248107346 CC(C)C(CO)CN1c2ccccc2Sc3c1cccc3 edd6bdb686963ba808bed74e351b5aa0 [0,1,0,0,0,0|2,0,0]=3 105 B23R3.248107346 CC(C)C(CO)CN1c2ccccc2Sc3c1nccc3 0637e00aa379bf1acf1cfa55407e482a [0,1,0,0,0,0|1,0,0]=2 106 B21R2.32769 CC(C)C(C)CNc1ccccc1Cc2ccccc2 8dc4ef497779d4bf81829c7b3ecf3206 [0,0,1,0,0,0|3,0,0]=4 107 B21R2.32769 CC(C)C(C)CNc1ccccc1Oc2ccccc2 d710ecee4c299df5e146ca5f123ddff9 [0,0,1,0,0,0|2,1,0]=4 108 B21R2.32769 CC(C)C(C)CNc1ccccc1Oc2cccnc2 3250a0a147acead96de3409fb2023c83 [0,0,1,0,0,0|1,1,0]=3 109 B21R2.32769 CC(C)C(C)CNc1ccccc1Sc2ccccc2 b5bb1d938aaded52fd4b2a14588da171 [0,0,1,0,0,0|2,0,0]=3 110 B21R2.32769 CC(C)C(C)CNc1ccccc1Sc2cnccn2 d3ca1ec78b14792b3da1f342f86a8a80 [0,0,1,0,0,0|2,0,0]=3 111 B21R2.32769 CC(C)C(C)CNc1ncccc1Oc2ccccc2 e3fcfc7b0c6334282b409acb11189737 [0,0,1,0,0,0|1,1,0]=3 112 B21R2.32769 CC(CNc1ccccc1Cc2ccccc2)N(C)C 4f64976872579c9a36830d81af9b7eee [0,0,1,0,0,0|2,0,0]=3 113 B21R2.32769 CC(CNc1nccnc1Oc2ccccc2)N(C)C f98062d0c184b7e4764ae1ad1ae9437f [0,0,1,0,0,0|1,1,0]=3 114 B21R2.32769 CN(C)C(=O)CNc1ccccc1Oc2cccnc2 8f7f5926e29d72ab18b80a3edf7f4a08 [0,0,1,0,0,0|1,1,1]=4 115 B21R2.32769 CN(C)C(=O)CNc1ccccc1Sc2ccccc2 6d97d19515478e96808139f5582395e0 [0,0,1,0,0,0|2,0,1]=4 116 B21R2.32769 CN(C)C(=O)CNc1ccccc1Sc2cnccn2 46773d399f728c469a47abeb44698358 [0,0,1,0,0,0|2,0,1]=4 117 B21R2.32769 CN(C)C(=O)CNc1ncccc1Oc2ccccc2 64bce34760e4b151ca0d071abbe460e2 [0,0,1,0,0,0|1,1,1]=4 118 B21R2.205967 CC(C)C(C)CN(c1ccccc1)c2ccccc2Cl a276fcda920ad20dee825e8265a517b7 [0,0,1,0,0,0|3,0,0]=4 119 B21R2.205967 CC(C)C(C)CN(c1ccccc1)c2ccccc2F 7c7d6760ed719fca3c08015a3be0f3e4 [0,0,1,0,0,0|3,0,0]=4 120 B21R2.205967 CC(C)C(C)CN(c1ccccc1)c2ncccc2Cl 344bc8fb8098180a030414ca9a617df5 [0,0,1,0,0,0|2,0,0]=3 121 B21R2.205967 CN(C)C(=O)CN(c1ccccc1)c2ncccc2Cl bc65e5a38df96f101f7fc551c4fe7bda [0,0,1,0,0,0|2,0,1]=4 122 B21R2.205967 CN(C)C(=O)CN(c1ccccn1)c2ccccc2S 41484eb241811c001a519680695581f8 [0,0,1,0,0,0|1,0,1]=3 123 B21R2.205967 Cc1ccccc1N(CC(C)C(C)C)c2ccccc2 52754362fabfee02f9b4bea95204738c [0,0,1,0,0,0|3,0,0]=4 124 B21R2.205967 Cc1cccnc1N(CC(=O)N(C)C)c2ccccc2 85d6a7e83a6375f558d0d411d35a6bad [0,0,1,0,0,0|2,0,1]=4 125 B21R2.205967 Cc1cccnc1N(CC(C)C(C)C)c2ccccc2 25ac9b28d77a307dbd4aa1faaa2f000b [0,0,1,0,0,0|2,0,0]=3 126 B23R4.11831673 O=C1OCC1CN2c3ccccc3Sc4c2nccc4 315703e90ec9ecec40d7014e6c064871 [0,0,0,1,0,0|3,0,0]=4 127 B23R4.194690232 O=C(O)[C@@H]1C[C@@H]1N2c3ccccc3Sc4c2nccc4 324bed2f389a665e266c8a94b69c615e [0,0,0,1,0,0|3,0,0]=4 128 B23R4.194690232 O=C(O)[C@H]1C[C@@H]1N2c3ccccc3Sc4c2nccc4 96c70533ef18035d483b94e4a9dd9043 [0,0,0,1,0,0|3,0,0]=4 129 B23R4.194690232 O=C(O)[C@H]1C[C@H]1N2c3ccccc3Sc4c2nccc4 a6d0fee37ba4f7a51a500b99f7985379 [0,0,0,1,0,0|3,0,0]=4 130 B23R4.198266656 O=C(CN1c2ccccc2Sc3c1nccc3)C4CC4 2bdac0ea00bb98071d976506360ff374 [0,0,0,1,0,0|2,0,1]=4 131 B23R4.198266656 OC(CN1c2ccccc2Sc3c1cccc3)C4CC4 f53d4f3b179c6b73cb8780a016304e9b [0,0,0,1,0,0|3,0,0]=4 132 B23R4.198266656 OC(CN1c2ccccc2Sc3c1nccc3)C4CC4 a57bbb0667ab029f6bcbe31b998bb4e9 [0,0,0,1,0,0|2,0,0]=3 133 B23R4.1086219096 FC1(CC1CN2c3ccccc3Sc4c2nccc4)F 78806577d3ffa21e15910e7308aa9871 [0,0,0,1,0,0|3,0,0]=4 134 B23R4.1086219096 FC1(C[C@@H]1CN2c3ccccc3Sc4c2nccc4)F ba368f3e22af3bb80f26f051239ce7be [0,0,0,1,0,0|3,0,0]=4 135 B21R3.13926111 CC(=O)C(C)N1c2ccccc2Sc3c1nccc3 f8d5865861638847e5ffb3adc6401f6e [0,0,0,0,1,0|2,0,0]=3 136 B21R3.13927454 CC(=O)C(C)On1c2ccccc2c3c1nccc3 082dbc4efa36e8fc25885b428ee5859f [0,0,0,0,1,0|3,0,0]=4 137 B21R3.13927454 CC(C)C(C)On1c2ccccc2c3c1nccc3 37b4db9a519deae1a51f53cbfe6cdb27 [0,0,0,0,1,0|2,0,0]=3 138 B23R3.38542792 CC(C)C(C)CN1Cc2ccccc2Cc3c1cccc3 3f8e644a9b64840954e5b58e54f5d4d1 [0,0,0,0,0,1|3,0,0]=4 139 B23R3.38542792 CC(C)C(C)CN1Cc2ccccc2Oc3c1cccc3 fb7b5c2891cc926c04480dcd46c38edf [0,0,0,0,0,1|2,1,0]=4 140 B23R3.38550080 CC(C)C(=O)OCN1c2ccccc2Sc3c1nccc3 fd4011ec2acec3acdc99779c2d4a8bfb [0,0,0,0,0,1|2,0,1]=4 141 B23R3.38550080 CC(C)C(C)COC1c2ccccc2Sc3c1cccc3 2592931de219e7fcc9407138e573c85e [0,0,0,0,0,1|3,0,0]=4 142 B23R3.38550080 CN(C)C(=O)CCN1c2ccccc2Sc3c1nccc3 d5a1eddce07defb9ff54f415a1d566c6 [0,0,0,0,0,1|1,0,1]=3 143 B23R3.38637982 CC(C)C(C)CN1c2ccccc2C=Cc3c1cccc3 80f3ed8c75020dd83bd78a4b10e65e4f [0,0,0,0,0,1|3,0,0]=4 144 B23R3.38637982 CC(C)C(C)CN1c2ccccc2CCc3c1cccc3 3ae9c299a0b13be9c7e1f2d3a66836b7 [0,0,0,0,0,1|3,0,0]=4 145 B23R3.38637982 CC(C)C(C)CN1c2ccccc2COc3c1cccc3 fff1c2bb0cc32c236d047d9944fda632 [0,0,0,0,0,1|2,1,0]=4 146 B23R3.71886310 CC(C)CC(=O)CN1c2ccccc2Sc3c1nccc3 3a1ace98e8860500690c7bd19b5d3d6a [0,0,0,0,0,1|2,0,1]=4 147 B23R3.71886310 CC(C)NC(=O)CN1c2ccccc2Sc3c1nccc3 4ec3cdc830df4ca149772c3272fee5e0 [0,0,0,0,0,1|2,0,1]=4 148 B23R3.71886310 CC(C)OC(=O)CN1c2ccccc2Sc3c1nccc3 a265c3e5d867581a33f09b42321e7d84 [0,0,0,0,0,1|2,0,1]=4 149 B23R3.71886310 CC(CN(C)C)CN1c2ccccc2Cc3c1cccc3 258852c39a97886a4d9901cab9bcb21b [0,0,0,0,0,1|2,0,0]=3 150 B23R3.71886310 CC(CN(C)C)CN1c2ccccc2Oc3c1cccc3 9c35ac4937b9217807bc5e450d5bdb75 [0,0,0,0,0,1|1,1,0]=3 151 B23R3.71886310 CC(CN(C)C)CN1c2ccccc2Oc3c1ccnc3 26e696f978c70985af3ccced2d21f030 [0,0,0,0,0,1|2,1,0]=4 152 B23R3.71886310 CC(CN(C)C)CN1c2ccccc2Sc3c1cccc3 f2886af30220a042c240b6e04e3138af [0,0,0,0,0,1|1,0,0]=2 153 B23R3.71886310 CC(CN(C)C)CN1c2ccccc2Sc3c1nccc3 179efac4647371c955b31dc134cff9fa [0,0,0,0,0,1|0,0,0]=1 154 B20R2.16153 CCC(C)CNc1ccccc1Oc2cccnc2 488aafe1298a0aae679ba054717846ed [1,0,1,0,0,0|1,1,0]=4 155 B20R2.16153 CCC(C)CNc1ccccc1Sc2ccccc2 234d6683e249bf488aa028982eb63a54 [1,0,1,0,0,0|2,0,0]=4 156 B20R2.16153 CCC(C)CNc1ccccc1Sc2cnccn2 2b634e4ba2e9b7e18ecf95aafbb410c6 [1,0,1,0,0,0|2,0,0]=4 157 B20R2.16153 CCC(C)CNc1ncccc1Oc2ccccc2 bf7fd15453bff28cae1c477ab02feec5 [1,0,1,0,0,0|1,1,0]=4 158 B20R2.16153 CC[C@@H](C)CNc1ccccc1Oc2cccnc2 efa99bce8b894bb63918e10524013a5a [1,0,1,0,0,0|1,1,0]=4 159 B20R2.16153 CC[C@@H](C)CNc1ccccc1Sc2ccccc2 3e6a41f57aecde57740417d04afc04fc [1,0,1,0,0,0|2,0,0]=4 160 B20R2.16153 CC[C@@H](C)CNc1ccccc1Sc2cnccn2 e56e4822ebff86d246d7be2328af2c23 [1,0,1,0,0,0|2,0,0]=4 161 B20R2.16153 CC[C@@H](C)CNc1ncccc1Oc2ccccc2 adc7dff3c1b614bdb254046dcb993682 [1,0,1,0,0,0|1,1,0]=4 162 B20R2.16153 CC[C@H](C)CNc1ccccc1Oc2cccnc2 b3bceb7d862305cc2b96ba6a305965d9 [1,0,1,0,0,0|1,1,0]=4 163 B20R2.16153 CC[C@H](C)CNc1ccccc1Sc2ccccc2 8a493f71797c951a4a4e1013e625c64d [1,0,1,0,0,0|2,0,0]=4 164 B20R2.16153 CC[C@H](C)CNc1ccccc1Sc2cnccn2 0a6e3ab8bb3dc8f4a603686e27a77bde [1,0,1,0,0,0|2,0,0]=4 165 B20R2.16153 CC[C@H](C)CNc1ncccc1Oc2ccccc2 782ecbf98243578e2c7635f14d14bb6c [1,0,1,0,0,0|1,1,0]=4 166 B20R2.16153 COC(C)CNc1ccccc1Oc2cccnc2 6ce30bbe67c1774d2cb0ca31d1efd28b [1,0,1,0,0,0|1,1,0]=4 167 B20R2.16153 COC(C)CNc1ccccc1Sc2ccccc2 486a540b81c4ac24793dba7dc051ef81 [1,0,1,0,0,0|2,0,0]=4 168 B20R2.16153 COC(C)CNc1ccccc1Sc2cnccn2 cda25e527eba924695a5069f616ef9e7 [1,0,1,0,0,0|2,0,0]=4 169 B20R2.16153 COC(C)CNc1ncccc1Oc2ccccc2 609e8ec3cd3d64663c4cd0c1c765aef0 [1,0,1,0,0,0|1,1,0]=4 170 B20R2.16153 CO[C@@H](C)CNc1ccccc1Oc2cccnc2 edeabff5e58bebf72da4c48d91306a81 [1,0,1,0,0,0|1,1,0]=4 171 B20R2.16153 CO[C@@H](C)CNc1ccccc1Sc2ccccc2 5ea0cbd2ab3b9774d6536d42abc3699c [1,0,1,0,0,0|2,0,0]=4 172 B20R2.16153 CO[C@@H](C)CNc1ccccc1Sc2cnccn2 5c83b19bd3bad3d297898e8b9a6c68ad [1,0,1,0,0,0|2,0,0]=4 173 B20R2.16153 CO[C@@H](C)CNc1ncccc1Oc2ccccc2 0cdda3a3e776dc8a5cad1efc3034920a [1,0,1,0,0,0|1,1,0]=4 174 B20R2.16153 CO[C@H](C)CNc1ccccc1Oc2cccnc2 d333a96ebce65cc94e48c5b5495f397d [1,0,1,0,0,0|1,1,0]=4 175 B20R2.16153 CO[C@H](C)CNc1ccccc1Sc2ccccc2 6b9477dd36fe0b6085f653c3f900b404 [1,0,1,0,0,0|2,0,0]=4 176 B20R2.16153 CO[C@H](C)CNc1ccccc1Sc2cnccn2 adb034346478cb2e97a13872e687a535 [1,0,1,0,0,0|2,0,0]=4 177 B20R2.16153 CO[C@H](C)CNc1ncccc1Oc2ccccc2 7e2474927ed42eb6a3342fe43db13f39 [1,0,1,0,0,0|1,1,0]=4 178 B20R2.17676 CC(C)CCNc1ccccc1Oc2cccnc2 9ad891e042e6e0ff76547f1431fd91f1 [1,0,1,0,0,0|1,1,0]=4 179 B20R2.17676 CC(C)CCNc1ccccc1Sc2ccccc2 7e21cf1daa92260470a60d8afd39ca20 [1,0,1,0,0,0|2,0,0]=4 180 B20R2.17676 CC(C)CCNc1ccccc1Sc2cnccn2 3b0a827219da7dc2bc02772ad4df8306 [1,0,1,0,0,0|2,0,0]=4 181 B20R2.17676 CC(C)CCNc1ncccc1Oc2ccccc2 ba619650f703dc94352140b9c607bfb4 [1,0,1,0,0,0|1,1,0]=4 182 B20R2.17676 CN(C)CCNc1ccccc1Cc2ccccc2 c5b9285f0361e47e01ce562ad4d9b3b8 [1,0,1,0,0,0|2,0,0]=4 183 B20R2.17676 CN(C)CCNc1ccccc1Oc2cccnc2 d6b936b57e46df7b70ba53fdf061660d [1,0,1,0,0,0|0,1,0]=3 184 B20R2.17676 CN(C)CCNc1ccccc1Sc2ccccc2 63a135d4fadec722b1b09b2690b3f766 [1,0,1,0,0,0|1,0,0]=3 185 B20R2.17676 CN(C)CCNc1ccccc1Sc2cnccn2 99a5fa4f34947188a56afbcfcebded29 [1,0,1,0,0,0|1,0,0]=3 186 B20R2.17676 CN(C)CCNc1ncccc1Oc2ccccc2 b9a7f4806db5dd84ecf67f13f998c0c0 [1,0,1,0,0,0|0,1,0]=3 187 B20R2.17676 CN(C)CCNc1nccnc1Oc2ccccc2 0599fc5c332642bc30fcf5fe9893f714 [1,0,1,0,0,0|1,1,0]=4 188 B20R2.29400 CC(C)C(C)CN(c1ccccc1)c2ccccc2 ed73a6fdb0b67f41301fa1303c6c57f9 [1,0,1,0,0,0|2,0,0]=4 189 B20R2.29400 CC(C)C(C)CN(c1ccccc1)c2ccccn2 338c7f8b17034e680e4e115ff8e4e15f [1,0,1,0,0,0|1,0,0]=3 190 B20R2.29400 CC(C)C(C)CN(c1ccccc1)c2ncccn2 e602f4b8671b630c207c13b70b6625ee [1,0,1,0,0,0|2,0,0]=4 191 B20R2.29400 CC(C)C(C)CN(c1ccccn1)c2ccccn2 68763e5b1a8adf31f18d8e4d09eab3bf [1,0,1,0,0,0|2,0,0]=4 192 B20R2.29400 CN(C)C(=O)CN(c1ccccc1)c2ccccn2 53621170b352388cac76544c51bd4794 [1,0,1,0,0,0|1,0,1]=4 193 B20R2.140971 CC(=CCN(c1ccccn1)c2ccccc2S)C 7e236a2841b825f28f7d1e9fb0fecbae [1,0,1,0,0,0|1,0,1]=4 194 B20R2.140971 CC(=O)CCN(c1ccccn1)c2ccccc2S 81863eb90dc7713a74f905ba3c201895 [1,0,1,0,0,0|2,0,0]=4 195 B20R2.140971 CC(C)CCN(c1ccccc1)c2ncccc2Cl 0e84a7e6bcce1db6bc408b58a49c5cd4 [1,0,1,0,0,0|2,0,0]=4 196 B20R2.140971 CN(C)CCN(c1ccccc1)c2ccccc2Br 76355f83df46aafaa93106671d08d808 [1,0,1,0,0,0|2,0,0]=4 197 B20R2.140971 CN(C)CCN(c1ccccc1)c2ccccc2F 61c51fd69aa2039f833386bccb051546 [1,0,1,0,0,0|2,0,0]=4 198 B20R2.140971 CN(C)CCN(c1ccccc1)c2ncccc2Cl 638e89ea80d9603a5b0527b0fde02237 [1,0,1,0,0,0|1,0,0]=3 199 B20R2.140971 CN(C)CCN(c1ccccn1)c2c[nH]ccc2=O d3ab89cee8687f90abfbecbfa985473e [1,0,1,0,0,0|1,1,0]=4 200 B20R2.140971 CN(C)CCN(c1ccccn1)c2cnccc2F 483530c8e23cc37b58c7170245f1f863 [1,0,1,0,0,0|2,0,0]=4 201 B20R2.140971 CN(C)CCN(c1ccccn1)c2ncccc2O b684caa960d86d0f4787ec2a0b2b7e16 [1,0,1,0,0,0|1,1,0]=4 202 B20R2.140971 CS(=O)CCN(c1ccccn1)c2ccccc2S 2b0df0a386fc7f378a26b128afcb7161 [1,0,1,0,0,0|2,0,0]=4 203 B20R2.140971 Cc1ccccc1N(CCN(C)C)c2ccccc2 100f0ec6fc0526f5888f01d08c11dd26 [1,0,1,0,0,0|2,0,0]=4 204 B20R2.140971 Cc1cccnc1N(CCC(C)C)c2ccccc2 3422bdd65dea7a00ada484d1da8a82fa [1,0,1,0,0,0|2,0,0]=4 205 B20R2.140971 Cc1cccnc1N(CCN(C)C)c2ccccc2 cc8045dbca8c0cfdc9655f0a1d278aa1 [1,0,1,0,0,0|1,0,0]=3 206 B20R2.140971 Cc1ccncc1N(CCN(C)C)c2ccccn2 19097a94c42baab54ecac85409e7f2b3 [1,0,1,0,0,0|2,0,0]=4 207 B20R2.252075 CCC(C)CN(c1ccccc1)c2ncccc2C 4639aad6c4c7f7a5aca4a771486e2e6b [1,0,1,0,0,0|2,0,0]=4 208 B20R2.252075 CCC(C)CN(c1ccccc1)c2ncccc2Cl 804bafeea44984a12fd7f188cfc34876 [1,0,1,0,0,0|2,0,0]=4 209 B20R2.252075 CC[C@@H](C)CN(c1ccccc1)c2ncccc2C 7568c031979b2f5532e24106fc1f4cd8 [1,0,1,0,0,0|2,0,0]=4 210 B20R2.252075 CC[C@@H](C)CN(c1ccccc1)c2ncccc2Cl e8db350b5578cafdf04c711c0c071092 [1,0,1,0,0,0|2,0,0]=4 211 B20R2.252075 CC[C@H](C)CN(c1ccccc1)c2ncccc2C 59f7ab273489add02900f161755d6e4c [1,0,1,0,0,0|2,0,0]=4 212 B20R2.252075 CC[C@H](C)CN(c1ccccc1)c2ncccc2Cl 3e48c841051c4fed74804735e6088866 [1,0,1,0,0,0|2,0,0]=4 213 B20R2.252075 COC(C)CN(c1ccccc1)c2ncccc2C 01fbccb8c7a9d9ad3899718930a809c3 [1,0,1,0,0,0|2,0,0]=4 214 B20R2.252075 COC(C)CN(c1ccccc1)c2ncccc2Cl 7716c6ee34295898c22501c1fb35ba51 [1,0,1,0,0,0|2,0,0]=4 215 B20R2.252075 CO[C@@H](C)CN(c1ccccc1)c2ncccc2C 101af83bb9f43019997473084f1384b1 [1,0,1,0,0,0|2,0,0]=4 216 B20R2.252075 CO[C@@H](C)CN(c1ccccc1)c2ncccc2Cl 0396b0b39c259714a3499e3eb7a157b1 [1,0,1,0,0,0|2,0,0]=4 217 B20R2.252075 CO[C@H](C)CN(c1ccccc1)c2ncccc2C fc7e43c449f79360f0882b62e7692d99 [1,0,1,0,0,0|2,0,0]=4 218 B20R2.252075 CO[C@H](C)CN(c1ccccc1)c2ncccc2Cl 3bc26dd51002220529ce78869ec53e0f [1,0,1,0,0,0|2,0,0]=4 219 B20R3.368533 C#CCCN1c2ccccc2Sc3c1nccc3 5d30225c31a3211e39c8b1bbbe2f5a2e [2,0,0,0,0,0|1,0,1]=4 220 B20R3.368533 C/C=C/CN1c2ccccc2Sc3c1nccc3 1bc280b8567ce91eceec6e12975b34ae [2,0,0,0,0,0|1,0,1]=4 221 B20R3.368533 C/C=C\CN1c2ccccc2Sc3c1nccc3 a86e73fe3f58b14ad93bee6597857da4 [2,0,0,0,0,0|1,0,1]=4 222 B20R3.368533 C=CCCN1c2ccccc2Sc3c1nccc3 106ac06ef5da1d7257f1766c2ea55f1c [2,0,0,0,0,0|1,0,1]=4 223 B20R3.368533 CCCCN1c2ccccc2Sc3c1nccc3 32d9932c0280f3ec72507653aa553c3b [2,0,0,0,0,0|1,0,0]=3 224 B20R3.368533 COCCN1c2ccccc2Sc3c1cccc3 3a8cae5357805cb046282e43449b9a0d [2,0,0,0,0,0|2,0,0]=4 225 B20R3.368533 COCCN1c2ccccc2Sc3c1nccc3 148c1c9eba10f1bfa4d528b46bb9a0fb [2,0,0,0,0,0|1,0,0]=3 226 B20R3.368533 CSCCN1c2ccccc2Sc3c1cccc3 08870aae3f79bc872f44ebc96cef16d9 [2,0,0,0,0,0|2,0,0]=4 227 B20R3.368533 CSCCN1c2ccccc2Sc3c1nccc3 4376e6ee13fa51aca4faac7bfdd6aa18 [2,0,0,0,0,0|1,0,0]=3 228 B20R3.368533 FCCCN1c2ccccc2Sc3c1nccc3 c7dbc997369fd63ff9ce0d076b61cbe2 [2,0,0,0,0,0|2,0,0]=4 229 B20R3.368533 N#CCCN1c2ccccc2Sc3c1nccc3 2cd225e91bd12500542ddfb27bdea718 [2,0,0,0,0,0|2,0,0]=4 230 B20R3.368533 O=CCCN1c2ccccc2Sc3c1nccc3 fdddeda484da168d9c40d9e08cd40467 [2,0,0,0,0,0|2,0,0]=4 231 B20R3.368533 OCCCN1c2ccccc2Sc3c1nccc3 27daee9998883eb3c2592b3475e25dff [2,0,0,0,0,0|2,0,0]=4 232 B20R3.368533 SCCCN1c2ccccc2Sc3c1nccc3 7f1a433e416c6e96016c70a76460d86c [2,0,0,0,0,0|2,0,0]=4 233 B20R3.5148346 CC(C)CN1c2ccccc2Cc3c1cccc3 3ff057153abaabc019fcda73a032e47b [2,0,0,0,0,0|2,0,0]=4 234 B20R3.5148346 CC(C)CN1c2ccccc2Oc3c1cccc3 2252a369acfe27b7be6b970052071eb8 [2,0,0,0,0,0|1,1,0]=4 235 B20R3.5148346 CC(C)CN1c2ccccc2Sc3c1cccc3 735cecdc77eb618060b682c9a4e414fd [2,0,0,0,0,0|1,0,0]=3 236 B20R3.5148346 CC(C)CN1c2ccccc2Sc3c1nccc3 28f9c464a5971ffc03602c5f204f6a9e [2,0,0,0,0,0|0,0,0]=2 237 B20R3.5148346 CC(O)CN1c2ccccc2Sc3c1cccc3 2142f65d20fb00054520798f3b8d3c83 [2,0,0,0,0,0|2,0,0]=4 238 B20R3.5148346 CC(O)CN1c2ccccc2Sc3c1nccc3 ce71a9b304afd8bb8eaae6cdbd112ce3 [2,0,0,0,0,0|1,0,0]=3 239 B20R3.5148346 CN(C)CN1c2ccccc2Sc3c1cccc3 6b87ac68bdcad61435738165287f54c3 [2,0,0,0,0,0|2,0,0]=4 240 B20R3.5148346 C[C@@H](O)CN1c2ccccc2Sc3c1nccc3 c5a1c7246a69c69ebd4004720df2902a [2,0,0,0,0,0|1,0,0]=3 241 B20R3.5148346 C[C@H](O)CN1c2ccccc2Sc3c1cccc3 fe87bab648624d42daeabe85a7f8570d [2,0,0,0,0,0|2,0,0]=4 242 B20R3.5148346 C[C@H](O)CN1c2ccccc2Sc3c1nccc3 3f0c457fe0286270eeeaa30eb12d7a4b [2,0,0,0,0,0|1,0,0]=3 243 B20R3.5148346 FC(F)CN1c2ccccc2Sc3c1nccc3 3c934deedae9d88c1016dd48ab50f3a3 [2,0,0,0,0,0|2,0,0]=4 244 B20R3.5148346 NC(=O)CN1c2ccccc2Sc3c1nccc3 c148b46966e2796ca9aa699b88436aaa [2,0,0,0,0,0|1,0,1]=4 245 B22R2.4401 CC(C)C(C)CNc1ccccc1Sc2ccc(cc2)F ce1efafe2b3135ba28ebcd87a30021ed [0,1,1,0,0,0|2,0,0]=4 246 B22R2.4401 Cc1ccc(cc1)Oc2nccnc2NCC(C)N(C)C cab7f9509e160f40f717f98e667a1bf3 [0,1,1,0,0,0|1,1,0]=4 247 B22R2.4401 Cc1ccc(cc1)Sc2ccccc2NCC(C)C(C)C 39761cea2732cdd87d30adae5f48746e [0,1,1,0,0,0|2,0,0]=4 248 B22R2.141734 CC(C(=O)Nc1ccccc1Oc2cccnc2)N(C)C ed9f079cc67c770d4979c505440fe365 [0,1,1,0,0,0|0,1,1]=4 249 B22R2.141734 CC(C(=O)Nc1ccccc1Sc2cnccn2)N(C)C 28b4c292e25037abe651782b3532f0b3 [0,1,1,0,0,0|1,0,1]=4 250 B22R2.141734 CC(C(=O)Nc1ncccc1Oc2ccccc2)N(C)C 985067ed98cbd254a768de767bed05c7 [0,1,1,0,0,0|0,1,1]=4 251 B22R2.141734 C[C@@H](C(=O)Nc1ccccc1Oc2cccnc2)N(C)C d62936fa759b1a123229d3e9e40c8dd7 [0,1,1,0,0,0|0,1,1]=4 252 B22R2.141734 C[C@@H](C(=O)Nc1ccccc1Sc2cnccn2)N(C)C c1ede47dcfee5e7ee7eecbe7d10cf53b [0,1,1,0,0,0|1,0,1]=4 253 B22R2.141734 C[C@@H](C(=O)Nc1ncccc1Oc2ccccc2)N(C)C 9a09136b9e5f76e77317fe0bab8a9949 [0,1,1,0,0,0|0,1,1]=4 254 B22R2.141734 C[C@H](C(=O)Nc1ccccc1Oc2cccnc2)N(C)C 3b590e427a33dc47cc0effe76786699a [0,1,1,0,0,0|0,1,1]=4 255 B22R2.141734 C[C@H](C(=O)Nc1ccccc1Sc2cnccn2)N(C)C 7b1f6ad8ecdd180caf29deaf363fcef1 [0,1,1,0,0,0|1,0,1]=4 256 B22R2.141734 C[C@H](C(=O)Nc1ncccc1Oc2ccccc2)N(C)C f4b6c0c8db979a36219a43ae76f40840 [0,1,1,0,0,0|0,1,1]=4 257 B22R2.147313 CC(C)C(C)CNc1ncc(cc1Oc2ccccc2)Br 759d8d5793e4192b27534a1313ec3c3c [0,1,1,0,0,0|1,1,0]=4 258 B22R2.147313 CC(C)C(C)CNc1ncc(cc1Sc2ccccc2)Br 879f8852666064267922d728ca838f37 [0,1,1,0,0,0|1,0,0]=3 259 B22R2.147313 CN(C)C(=O)CNc1ncc(cc1Sc2ccccc2)Br 41f418fc22cf6deeff4e94eb9749018d [0,1,1,0,0,0|1,0,1]=4 260 B22R2.308810 CC(C)C(C)CNc1cc(ccc1Oc2cccnc2)Cl 2efc5e2a58741caa561c36353551dd69 [0,1,1,0,0,0|1,1,0]=4 261 B22R2.353103 CC(C)C(C)(C)CNc1ccccc1Oc2cccnc2 8127a1332db8aa52ab9140808ac1b591 [0,1,1,0,0,0|1,1,0]=4 262 B22R2.353103 CC(C)C(C)(C)CNc1ccccc1Sc2ccccc2 b352729bf47ca4fe16714167cd53599b [0,1,1,0,0,0|2,0,0]=4 263 B22R2.353103 CC(C)C(C)(C)CNc1ccccc1Sc2cnccn2 a2f671b6803eb71d74ad89d983bc725d [0,1,1,0,0,0|2,0,0]=4 264 B22R2.353103 CC(C)C(C)(C)CNc1ncccc1Oc2ccccc2 3c4571e9f82472317c1b4e81069555fd [0,1,1,0,0,0|1,1,0]=4 265 B22R2.353103 CN(C)C(C)(C)CNc1nccnc1Oc2ccccc2 9194824fa86023e35be5ddce96f7d312 [0,1,1,0,0,0|1,1,0]=4 266 B22R2.359864 CC(C)C(C)CNc1ncccc1C(=O)c2ccccc2 5d1220926c4ab8d8d7e7ff10234130e9 [0,1,1,0,0,0|2,0,0]=4 267 B22R2.359864 CC(CNc1ncccc1C(O)c2ccccc2)N(C)C 2c4060b32b668d81675798154b8684aa [0,1,1,0,0,0|1,0,0]=3 268 B22R2.359864 CC(CNc1ncccc1C(O)c2ccccn2)N(C)C 84d9ce09f6c3d7531d7e6c797a4729ca [0,1,1,0,0,0|2,0,0]=4 269 B22R2.739812 CC(C)C(CO)CNc1ccccc1Oc2cccnc2 71f70f45a2d3bacaf73f99e25453c4aa [0,1,1,0,0,0|1,1,0]=4 270 B22R2.739812 CC(C)C(CO)CNc1ccccc1Sc2ccccc2 e30d7bfc8cf7680cccd8e0dc297e4c53 [0,1,1,0,0,0|2,0,0]=4 271 B22R2.739812 CC(C)C(CO)CNc1ccccc1Sc2cnccn2 fb4b32bb4d226c9d83a736cceb13cbde [0,1,1,0,0,0|2,0,0]=4 272 B22R2.739812 CC(C)C(CO)CNc1ncccc1Oc2ccccc2 4c9f21d2816217f1c03064feacd99854 [0,1,1,0,0,0|1,1,0]=4 273 B22R2.739812 CCC(CNc1ccccc1Cc2ccccc2)N(C)C f511dc739fb090ef7465b6ff2a66a631 [0,1,1,0,0,0|2,0,0]=4 274 B22R2.739812 CCC(CNc1ccccc1Oc2ccccc2)N(C)C ecb450b2ec80f912d4d60a0961ff1f16 [0,1,1,0,0,0|1,1,0]=4 275 B22R2.739812 CCC(CNc1nccnc1Oc2ccccc2)N(C)C 0c9217a33f809bdabfff8a5d2caad5fb [0,1,1,0,0,0|1,1,0]=4 276 B22R2.138672 CC(C)C(CO)CN(c1ccccc1)c2ncccc2Cl d4b6fef979c5e6fbb4a2c18b847a9a7f [0,1,1,0,0,0|2,0,0]=4 277 B22R2.284289 CC(C)C(C)(C)CN(c1ccccc1)c2ncccc2Cl e5acb9a46829388e06b86ea3a2841704 [0,1,1,0,0,0|2,0,0]=4 278 B22R2.284289 Cc1cccnc1N(CC(C)(C)C(C)C)c2ccccc2 4c99d5f987a8455f560384b0395a9fe2 [0,1,1,0,0,0|2,0,0]=4 279 B22R3.12329 CC(C)CCN1c2ccccc2Sc3c1ccc(c3)F 1fb5b01526079363f022de893c0468d5 [1,1,0,0,0,0|2,0,0]=4 280 B22R3.358739 CC(C)CCN1c2ccccc2Sc3c1cc(cc3)Cl 3b8960921192ac7af71c5f3a37e1fdfe [1,1,0,0,0,0|2,0,0]=4 281 B22R3.609042 CC(C)CCN1c2ccccc2Sc3c1c(ccc3)Cl f8731ec539f481b9f040a1073c664c69 [1,1,0,0,0,0|2,0,0]=4 282 B22R3.15498781 CCC(C)CCN1c2ccccc2Sc3c1nccc3 0394aa22cc89bd5418a58b374a7a2da8 [1,1,0,0,0,0|1,0,0]=3 283 B22R3.15498781 CCS(=O)CCN1c2ccccc2Sc3c1nccc3 5cbdab1255bbdcafca47d3be4742ab71 [1,1,0,0,0,0|2,0,0]=4 284 B22R3.15498781 CNC(=O)CCN1c2ccccc2Sc3c1nccc3 7865b0c725166aa5169b76906b4dfa9a [1,1,0,0,0,0|2,0,0]=4 285 B22R3.15498781 COC(=O)CCN1c2ccccc2Sc3c1nccc3 63d619e62e7f74779ccf92dfd08e4e84 [1,1,0,0,0,0|2,0,0]=4 286 B22R3.25081035 CC(C)(C)CCN1c2ccccc2Sc3c1cccc3 37cf5523c19840373e56ea1ab71cea4d [1,1,0,0,0,0|2,0,0]=4 287 B22R3.25081035 CC(C)(C)CCN1c2ccccc2Sc3c1nccc3 2149a2a29094ca14b414157ab4e3bef4 [1,1,0,0,0,0|1,0,0]=3 288 B22R3.25081035 CC(C)(O)CCN1c2ccccc2Sc3c1cccc3 7c1dd6ae09dfedba9da19ee40e3e15ea [1,1,0,0,0,0|2,0,0]=4 289 B22R3.25081035 CC(C)(O)CCN1c2ccccc2Sc3c1nccc3 4b0eca19d688980d9c265282a15f17df [1,1,0,0,0,0|1,0,0]=3 290 B22R3.25081035 CC(F)(F)CCN1c2ccccc2Sc3c1nccc3 2cf995408d0455cd68a3d415ff4771f5 [1,1,0,0,0,0|2,0,0]=4 291 B22R3.41063291 CC(C)CC(=O)N1c2ccccc2Sc3c1nccc3 75b9a41a5c315494230ff9fc15d1332c [1,1,0,0,0,0|1,0,1]=4 292 B22R3.41063291 CC(C)CC(C)N1c2ccccc2Sc3c1cccc3 e80184c15aeaef624468e3202546722f [1,1,0,0,0,0|2,0,0]=4 293 B22R3.41063291 CC(C)CC(C)N1c2ccccc2Sc3c1nccc3 7ea0f09ecd7edd16e7ff9d333e4fed6d [1,1,0,0,0,0|1,0,0]=3 294 B22R3.41063291 CN(C)CC(=O)N1c2ccccc2Sc3c1cccc3 dc3666ca3be4dfdebf5c68ed807e61ad [1,1,0,0,0,0|1,0,1]=4 295 B22R3.41063291 CN(C)CC(=O)N1c2ccccc2Sc3c1nccc3 2b1b081ac846e76465645934bb610bf9 [1,1,0,0,0,0|0,0,1]=3 296 B22R3.2398212 COC(C)C(=O)N1c2ccccc2Sc3c1nccc3 d114b729cf3bf65771e951f914346e58 [1,1,0,0,0,0|1,0,1]=4 297 B22R3.2398212 CO[C@@H](C)C(=O)N1c2ccccc2Sc3c1nccc3 647317a90b883f1428409bb1f50c4db4 [1,1,0,0,0,0|1,0,1]=4 298 B22R3.2398212 CO[C@H](C)C(=O)N1c2ccccc2Sc3c1nccc3 ec513d26f986ca084bdc89dda2ab21bc [1,1,0,0,0,0|1,0,1]=4 299 B22R3.10155319 CC(C)(CO)CN1c2ccccc2Sc3c1nccc3 f81678f5caecbd9c4fc6d9cafc4c4468 [1,1,0,0,0,0|2,0,0]=4 300 B22R3.12245266 CCC(CC)CN1c2ccccc2Sc3c1nccc3 cd799d90ffd8ab04d964ddd20dd6e39c [1,1,0,0,0,0|1,0,0]=3 301 B22R3.12245266 CCC(CO)CN1c2ccccc2Sc3c1nccc3 fcd0914f095aead67f586e4a76e7819a [1,1,0,0,0,0|1,0,0]=3 302 B22R3.12245266 COC(CN1c2ccccc2Sc3c1cccc3)OC 326af1352b020fa3b8f77d9bd3a172e1 [1,1,0,0,0,0|2,0,0]=4 303 B22R3.12245266 COC(CN1c2ccccc2Sc3c1nccc3)OC 770950507faf4a31c4c9f517e74ffb89 [1,1,0,0,0,0|1,0,0]=3 304 B22R3.13749479 C=CCC(C)CN1c2ccccc2Sc3c1nccc3 490833222eee3ef2de65f2875913f0bc [1,1,0,0,0,0|1,0,1]=4 305 B22R3.13749479 CCCC(C)CN1c2ccccc2Sc3c1nccc3 8e021c7a068e821ad0834ebe332ccb83 [1,1,0,0,0,0|1,0,0]=3 306 B22R3.13749479 CCNC(=O)CN1c2ccccc2Sc3c1nccc3 d4ce678a3b8873521273cb19969e0207 [1,1,0,0,0,0|1,0,1]=4 307 B22R3.13749479 COCC(O)CN1c2ccccc2Sc3c1nccc3 a120e8e4db5881842f0e5051da572a30 [1,1,0,0,0,0|2,0,0]=4 308 B22R3.15879562 CCC(C)CN1c2ccccc2Sc3c1ccc(c3)F 69311a00db0e6c3f31cb7ca99575bc6c [1,1,0,0,0,0|2,0,0]=4 309 B22R3.15879562 CC[C@H](C)CN1c2ccccc2Sc3c1ccc(c3)F b899ab371680549559fd742aa84a19f8 [1,1,0,0,0,0|2,0,0]=4 310 B22R3.15879562 COC(C)CN1c2ccccc2Sc3c1ccc(c3)Br 0d967a3ae1f1775dbaea88b1d749097e [1,1,0,0,0,0|2,0,0]=4 311 B22R3.15879562 COC(C)CN1c2ccccc2Sc3c1ccc(c3)F cb5faa8ec108b2083082c691d90d6595 [1,1,0,0,0,0|2,0,0]=4 312 B22R3.15879562 CO[C@@H](C)CN1c2ccccc2Sc3c1ccc(c3)Br e48783a9b0a1bdddf20fef7238aa71fb [1,1,0,0,0,0|2,0,0]=4 313 B22R3.15879562 CO[C@@H](C)CN1c2ccccc2Sc3c1ccc(c3)F 218588ea23dd0693c6f245e547472690 [1,1,0,0,0,0|2,0,0]=4 314 B22R3.15879562 CO[C@H](C)CN1c2ccccc2Sc3c1ccc(c3)Br 03c51862f43a41cf6f72b29481567b16 [1,1,0,0,0,0|2,0,0]=4 315 B22R3.15879562 CO[C@H](C)CN1c2ccccc2Sc3c1ccc(c3)F bd7a0ba435adc5da418ddc7d3c93867c [1,1,0,0,0,0|2,0,0]=4 316 B22R3.15879845 CCC(C)CN1c2ccccc2Sc3c1c(ccc3)Cl d16361e7e2ec6426b92c0ba7509899a4 [1,1,0,0,0,0|2,0,0]=4 317 B22R3.15879845 CC[C@@H](C)CN1c2ccccc2Sc3c1c(ccc3)Cl c7cdd9e228cbf5ae74b7c5f2ae5b799b [1,1,0,0,0,0|2,0,0]=4 318 B22R3.15879845 CC[C@H](C)CN1c2ccccc2Sc3c1c(ccc3)Cl 9e7bc5d8a2f699219b6acee1695236a5 [1,1,0,0,0,0|2,0,0]=4 319 B22R3.15879845 COC(C)CN1c2ccccc2Sc3c1c(ccc3)Cl 567df89ca10c6f03b23c0881c2a0a7f7 [1,1,0,0,0,0|2,0,0]=4 320 B22R3.15879845 CO[C@@H](C)CN1c2ccccc2Sc3c1c(ccc3)Cl f25af6fd6c2e1b2d097d60f4911cf214 [1,1,0,0,0,0|2,0,0]=4 321 B22R3.15879845 CO[C@H](C)CN1c2ccccc2Sc3c1c(ccc3)Cl f081a0c3638f2caeb6b3c89eede0b94a [1,1,0,0,0,0|2,0,0]=4 322 B22R3.15879846 COC(C)CN1c2ccccc2Sc3c1cc(cc3)Br ab6436a23a80fc166ee9c07c6e79e94c [1,1,0,0,0,0|2,0,0]=4 323 B22R3.15879846 COC(C)CN1c2ccccc2Sc3c1cc(cc3)Cl 8c012a0322eaaf77ed9c0048a81da695 [1,1,0,0,0,0|2,0,0]=4 324 B22R3.15879846 CO[C@@H](C)CN1c2ccccc2Sc3c1cc(cc3)Br 2f5d1ecec424df3b5a18b3c58ad1c2c1 [1,1,0,0,0,0|2,0,0]=4 325 B22R3.15879846 CO[C@@H](C)CN1c2ccccc2Sc3c1cc(cc3)Cl ac20b5685a9f603daf6fe6a29b2be40c [1,1,0,0,0,0|2,0,0]=4 326 B22R3.15879846 CO[C@H](C)CN1c2ccccc2Sc3c1cc(cc3)Br 1134d634a553347e1da6036215b1078a [1,1,0,0,0,0|2,0,0]=4 327 B22R3.15879846 CO[C@H](C)CN1c2ccccc2Sc3c1cc(cc3)Cl 1b3374a26252ee2a31251db5eaa808b9 [1,1,0,0,0,0|2,0,0]=4 328 B22R3.2544415 CC(N1c2ccccc2Sc3c1nccc3)C(C)(C)O 95e4659efa2f9d8cbd9c948347b30523 [0,1,0,0,1,0|1,0,0]=3 329 B22R3.25362872 CC(C)C(C=O)N1c2ccccc2Sc3c1nccc3 9f263b48b6ffa66f279b37ff1c7dddd6 [0,1,0,0,1,0|1,0,1]=4 330 B22R3.82900161 CC(On1c2ccccc2c3c1nccc3)C(C)(C)O 60829ee408141adbede5a0d169ebe439 [0,1,0,0,1,0|2,0,0]=4 331 B24R3.3287218 COC(=O)C(C)CCN1c2ccccc2Sc3c1nccc3 b359f422a3382fc452c5a0316c44fe25 [0,1,0,0,0,1|2,0,0]=4 332 B24R3.246428008 CC(=O)C(C)CC(=O)N1c2ccccc2Sc3c1nccc3 97de56062787d713bd20eedb4ec454f4 [0,1,0,0,0,1|2,0,0]=4 333 B24R3.246428008 CC(C)C(C)CC(=O)N1c2ccccc2Sc3c1cccc3 ee9f7bf945d6afade9c15e64f4fb8c73 [0,1,0,0,0,1|2,0,0]=4 334 B24R3.246428008 CC(C)C(C)CC(=O)N1c2ccccc2Sc3c1nccc3 675a886a62ad1eb802b9c0812724ea16 [0,1,0,0,0,1|1,0,0]=3 335 B24R3.246428008 CN(C)C(=O)CC(=O)N1c2ccccc2Sc3c1nccc3 714d2b4ba57a8ecc6d98a87abce039e1 [0,1,0,0,0,1|1,0,1]=4 336 B24R3.221722264 CC(C)C(C)CN1c2ccccc2C(=O)Nc3c1nccc3 b884ca7f1238540eafc4342b90781776 [0,1,0,0,0,1|2,0,0]=4 337 B24R3.221722264 CC(C)C(C)CN1c2ccccc2NC(=O)c3c1nccc3 1f9bdfd0958f8db92e92ba8adbd99f2f [0,1,0,0,0,1|2,0,0]=4 338 B24R3.22275 CC(CN(C)C)CN1c2ccccc2Sc3c1ccc(c3)Br 071adc1a681714cf38fc1d00f6624802 [0,1,0,0,0,1|1,0,0]=3 339 B24R3.22275 CC(CN(C)C)CN1c2ccccc2Sc3c1ccc(c3)F 262bb1b997a6dc01359a30bc084f057e [0,1,0,0,0,1|1,0,0]=3 340 B24R3.15111216 CC(CN(C)C)CN1c2ccccc2Sc3c1cc(cc3)Br 64d40695139d88101d5858302a57c390 [0,1,0,0,0,1|1,0,0]=3 341 B24R3.15111216 CC(CN(C)C)CN1c2ccccc2Sc3c1cc(cc3)Cl 9fd91d9eb5aef2ce67c67eebb4435d89 [0,1,0,0,0,1|1,0,0]=3 342 B24R3.15111216 CC(CN(C)C)CN1c2ccccc2Sc3c1cc(cc3)F 7026352650d71b95ee75018c185bc7c4 [0,1,0,0,0,1|1,0,0]=3 343 B24R3.23969326 CC(CN(C)C)CN1c2ccccc2Sc3c1c(ccc3)Cl 54c32be45ea7cfe15d05b07887c4b245 [0,1,0,0,0,1|1,0,0]=3 344 B24R3.31871481 COC(=O)CC(C)CN1c2ccccc2Sc3c1nccc3 cac838ccaa013dddb6d62632436fc724 [0,1,0,0,0,1|2,0,0]=4 345 B24R3.153141235 CC(CN(C)C)CN1c2ccccc2S(=O)c3c1cccc3 ebd8d23eb66ad611af2a2ba67eccc6cc [0,1,0,0,0,1|1,0,1]=4 346 B24R3.246486711 CC(C)OC(C)C(=O)N1c2ccccc2Sc3c1nccc3 a33674d6e62c7d57807d37906573dfd2 [0,1,0,0,0,1|1,0,1]=4 347 B24R3.248812190 CC(C)(O)CC(O)CN1c2ccccc2Sc3c1nccc3 d366cdd4644f97e17b11790b48f9de95 [0,1,0,0,0,1|2,0,0]=4 348 B24R3.424123177 CC(C)CC(C#N)CN1c2ccccc2Sc3c1nccc3 b2bff8339eac2e7b1b82bdec6e020a8f [0,1,0,0,0,1|1,0,1]=4 349 B24R3.22283 CC(C(=O)N1c2ccccc2Sc3c1ccc(c3)F)N(C)C 6c9ea909c981f93fe00566846563cb14 [0,2,0,0,0,0|1,0,1]=4 350 B24R3.22283 C[C@@H](C(=O)N1c2ccccc2Sc3c1ccc(c3)F)N(C)C 8ca8bbc9cec88f9db159da73a7798fa3 [0,2,0,0,0,0|1,0,1]=4 351 B24R3.22283 C[C@H](C(=O)N1c2ccccc2Sc3c1ccc(c3)F)N(C)C 3631e556f6c345af24af4ef4626094ad [0,2,0,0,0,0|1,0,1]=4 352 B24R3.424123173 CC(C)C(CO)CN1c2ccccc2Sc3c1ccc(c3)Br feabd7506bfda126a46849f88e237ba0 [0,2,0,0,0,0|2,0,0]=4 353 B24R3.424123173 CC(C)C(CO)CN1c2ccccc2Sc3c1ccc(c3)F 91e9d7e8a21280fcf453f415dfa67b08 [0,2,0,0,0,0|2,0,0]=4 354 B24R3.1346973 CC(C)C(C)CN1c2ccccc2Sc3c1cccc3C#N 3d0139add73330743acf340fb6a78b50 [0,2,0,0,0,0|2,0,0]=4 355 B24R3.424123184 CC(C)C(CO)CN1c2ccccc2Sc3c1c(ccc3)Cl f675b356fce96c7ce81a6a899606bbac [0,2,0,0,0,0|2,0,0]=4 356 B24R3.65981664 C=CCN(C)C(C)CN1c2ccccc2Sc3c1cccc3 a8cc3b0eddcc20a3e2ae52e9b14c55fd [0,2,0,0,0,0|1,0,0]=3 357 B24R3.65981664 CC(CN1c2ccccc2Sc3c1cccc3)N(C)CC=O cb6b44ee3f3e06d7f010391f58c5dd46 [0,2,0,0,0,0|1,0,0]=3 358 B24R3.76565195 CCN(C)C(C)C(=O)N1c2ccccc2Sc3c1cccc3 2021f97039e5195da41d87aa64f60730 [0,2,0,0,0,0|1,0,1]=4 359 B24R3.78153981 CCN(CC)C(=O)CN1c2ccccc2Sc3c1nccc3 c79f4142627c344271a4cced3a073e99 [0,2,0,0,0,0|1,0,1]=4 360 B24R3.421456577 COC(=O)C(C)(C)CN1c2ccccc2Sc3c1nccc3 b35b3dff0b8cfa86be8f6b8d59aa5953 [0,2,0,0,0,0|2,0,0]=4 361 B24R3.15113497 CC(C(=O)N1c2ccccc2Sc3c1cc(cc3)F)N(C)C b852beed9dea7b8fc6dfaf59a62dc20f [0,2,0,0,0,0|1,0,1]=4 362 B24R3.15113497 C[C@@H](C(=O)N1c2ccccc2Sc3c1cc(cc3)F)N(C)C fa7e6bee467f6890c403e9ec9189352e [0,2,0,0,0,0|1,0,1]=4 363 B24R3.15113497 C[C@H](C(=O)N1c2ccccc2Sc3c1cc(cc3)F)N(C)C fa205a12494c904c3402bec4b3abb311 [0,2,0,0,0,0|1,0,1]=4 364 B24R3.48067301 CC(C)C(C)CN1c2ccccc2Sc3c1cc(cc3)C#N 82deca3051317d0b62575cd926de4bea [0,2,0,0,0,0|2,0,0]=4 365 B24R3.48067301 COc1ccc2c(c1)N(c3ccccc3S2)CC(C)C(C)C 5f4093a7f07c45bb6a73d49d90007ee1 [0,2,0,0,0,0|2,0,0]=4 366 B24R3.424123935 CC(C)C(CO)CN1c2ccccc2Sc3c1cc(cc3)Cl d8735c9cc02ded0912fdfe3110d8c25b [0,2,0,0,0,0|2,0,0]=4 367 B24R3.66220198 CCC(C(=O)N(C)C)N1c2ccccc2Sc3c1nccc3 22e74b38a080cb0a4326e1941a8847c0 [0,2,0,0,0,0|1,0,1]=4 368 B24R3.421583161 CCC(C(=O)N1c2ccccc2Sc3c1cccc3)N(C)C 662da6b5a7c835de23d9bb8e1b720c19 [0,2,0,0,0,0|1,0,1]=4 369 B24R3.421583161 CC[C@@H](C(=O)N1c2ccccc2Sc3c1cccc3)N(C)C 62dccce23924cff1ae2e64f91e871b29 [0,2,0,0,0,0|1,0,1]=4 370 B24R3.421583161 CN(C)C(CO)C(=O)N1c2ccccc2Sc3c1cccc3 ddd382c406f9b65bb598ca292fcbb1f0 [0,2,0,0,0,0|1,0,1]=4 371 B24R3.421583161 CN(C)[C@@H](CO)C(=O)N1c2ccccc2Sc3c1cccc3 f03c183af7b351df00db1cc16c7a2fbd [0,2,0,0,0,0|1,0,1]=4 372 B22R3.18787 CN1CCC1CNc2nccnc2Oc3ccccc3 5aced9811b542b68bd6be0112041654c [0,0,1,1,0,0|1,1,0]=4 373 B22R3.3018624 CC(C)C(C)CNc1cccc2c1sc3c2cccc3 a9f461bb64b0a8c14261914f70e1e199 [0,0,1,1,0,0|2,0,0]=4 374 B22R3.3018624 CC(CNc1nncc2c1oc3c2cccc3)N(C)C 94e2587ee6190d4254fe1398a6f3557a [0,0,1,1,0,0|1,1,0]=4 375 B22R3.6675306 OC(CN(c1ccccn1)c2ccccc2S)C3CC3 79286c954ac4edda473c7a64a73287ac [0,0,1,1,0,0|2,0,0]=4 376 B22R4.1791 c1ccc2c(c1)Sc3ccccc3N2CCC4CC4 c28b07bf41f739f1646177cf26aaa9d7 [1,0,0,1,0,0|2,0,0]=4 377 B22R4.1791 c1ccc2c(c1)Sc3cccnc3N2CCC4CC4 590c042496d2e9f1ccc6eeec51acada9 [1,0,0,1,0,0|1,0,0]=3 378 B22R4.4521 c1ccc2c(c1)Sc3cccnc3N2CC4CCC4 238b5307bb28d33efcd993fb9ded05d9 [1,0,0,1,0,0|1,0,0]=3 379 B22R4.4521 c1ccc2c(c1)Sc3cccnc3N2CC4CCO4 79ba547dd50048eeff7d7ca6ba0aab29 [1,0,0,1,0,0|1,0,0]=3 380 B22R4.4521 c1ccc2c(c1)Sc3cccnc3N2CC4COC4 2928d31576d3cc28fb5fe28b32a981b2 [1,0,0,1,0,0|2,0,0]=4 381 B22R4.4521 c1ccc2c(c1)Sc3cccnc3N2C[C@@H]4CCO4 c3779f25dd5e28d83ee16485183d652c [1,0,0,1,0,0|1,0,0]=3 382 B22R4.4521 c1ccc2c(c1)Sc3cccnc3N2C[C@H]4CCO4 3ecbd2484b20d72adb93c44f67d49097 [1,0,0,1,0,0|1,0,0]=3 383 B22R4.17909665 O=CC1CC1N2c3ccccc3Sc4c2nccc4 336f9e0a6e15b2de9e48ff104acfa7f8 [1,0,0,1,0,0|2,0,0]=4 384 B22R4.47217986 CC1(CC1)CN2c3ccccc3Sc4c2cccc4 35177a474a7ef4b2defde01813209ae2 [1,0,0,1,0,0|2,0,0]=4 385 B22R4.47217986 CC1(CC1)CN2c3ccccc3Sc4c2nccc4 0712fcc98b90b7e587ea0091cfe6c0b7 [1,0,0,1,0,0|1,0,0]=3 386 B22R4.48711639 CC1(CC1On2c3ccccc3c4c2nccc4)C 9d5a7e8f468829ace49ea59ff3c8bd49 [0,0,0,1,1,0|2,0,0]=4 387 B22R4.103029647 CC(On1c2ccccc2c3c1nccc3)C4CC4 3c017ee7e714c813990f9bfb8587610a [0,0,0,1,1,0|2,0,0]=4 388 B24R4.38722440 O=C1CCC1CCN2c3ccccc3Sc4c2nccc4 ad1e359f7642a1c1a5097ad2c87a4114 [0,0,0,1,0,1|2,0,0]=4 389 B24R4.13627797 CN1CCC(C1)CN2c3ccccc3Cc4c2cccc4 8049cc7ffd2ca011a335c2faf1312492 [0,0,0,1,0,1|2,0,0]=4 390 B24R4.13627797 O=C1CCC(N1)CN2c3ccccc3Sc4c2nccc4 d7378e27fccf235b1fa01dee6b22c2d5 [0,0,0,1,0,1|2,0,0]=4 391 B24R4.13627797 O=C1CCC(O1)CN2c3ccccc3Sc4c2nccc4 5ff333d08bcc0b28681c5503b441fff4 [0,0,0,1,0,1|2,0,0]=4 392 B24R4.13627797 O=C1CC[C@@H](N1)CN2c3ccccc3Sc4c2nccc4 a1f2c8820e83bf566beced1a6fa62697 [0,0,0,1,0,1|2,0,0]=4 393 B24R4.13627797 O=C1CC[C@H](N1)CN2c3ccccc3Sc4c2nccc4 260ff36ca991e9beab1f12a8868065ea [0,0,0,1,0,1|2,0,0]=4 394 B24R4.1490693353 CC1(CC(C1)CN2c3ccccc3Sc4c2cccc4)C f9620cf36c9b8f2a4b8ea1a240e225f1 [0,0,0,1,0,1|2,0,0]=4 395 B24R4.1490693353 CC1(CC(C1)CN2c3ccccc3Sc4c2nccc4)C 146ba1ed6e8517eb852df608a8a80e29 [0,0,0,1,0,1|1,0,0]=3 396 B24R4.34131319 CC1COCC1CN2c3ccccc3Sc4c2cccc4 bc5b42c446158f3d999770bc01366582 [0,1,0,1,0,0|2,0,0]=4 397 B24R4.34131319 CC1COCC1CN2c3ccccc3Sc4c2nccc4 6e2145a1a911b831bf65fc47b3e408dc [0,1,0,1,0,0|1,0,0]=3 398 B24R4.394229872 COC(=O)C1CC1N2c3ccccc3Sc4c2nccc4 766f8adab5dbbcd34997f312f021feee [0,1,0,1,0,0|2,0,0]=4 399 B24R4.2098401893 O=C(CN1c2ccccc2Sc3c1nccc3)N4CCC4 62695b7d3f2a09f817d8ca88e6ab6167 [0,1,0,1,0,0|1,0,1]=4 400 B24R4.318771882 CN1CCC1C(=O)N2c3ccccc3Sc4c2cccc4 3668b77bcb19a0162cf16577494d9fbf [0,1,0,1,0,0|1,0,1]=4 401 B24R4.318771882 CN1CC[C@@H]1C(=O)N2c3ccccc3Sc4c2cccc4 37b5ee0cdd2f39c911e2e31e0feb3267 [0,1,0,1,0,0|1,0,1]=4 402 B24R4.318771882 CN1CC[C@H]1C(=O)N2c3ccccc3Sc4c2cccc4 bc912739dc9cf5f5cc08b51ad54d9f76 [0,1,0,1,0,0|1,0,1]=4 403 B24R4.1513056650 FC1(CCC1CN2c3ccccc3Sc4c2nccc4)F fd5e8d2c04ea845ca24a8d4a9c79bdd1 [0,1,0,1,0,0|2,0,0]=4 404 B24R5.3667991 c1ccc2c(c1)Sc3cccnc3N2CC4CC45CC5 393d2b60cf3a33044ecb13f330c64206 [0,0,0,2,0,0|1,0,0]=3 405 B20R2.10808 CC(C)C(C)CNc1ccccc1c2ccccc2 02f858405b0d2b2895b5e6aa93330409 [0,0,1,0,1,0|2,0,0]=4 406 B20R2.10808 CC(C)C(C)CNc1ccccc1c2cccnc2 592e44d305bf2074d70d437a4d7c3767 [0,0,1,0,1,0|1,0,0]=3 407 B20R2.10808 CC(C)C(C)CNc1ccccc1c2cncnc2 e9d32178c68ca890a7b84f4c4a495531 [0,0,1,0,1,0|2,0,0]=4 408 B20R2.10808 CC(C)C(C)CNc1ncccc1c2ccccc2 0793846d5295835ba3cf63935dafe70b [0,0,1,0,1,0|1,0,0]=3 409 B20R2.10808 CC(C)C(C)CNc1nccnc1c2ccccc2 80c1a852b645e79d7c097158d47d112b [0,0,1,0,1,0|2,0,0]=4 410 B20R2.10808 CC(C)C(C)CNc1ncncc1c2ccccc2 110573121391eeb30d8242ffb5ee3b48 [0,0,1,0,1,0|2,0,0]=4 411 B20R2.10808 CC(C)C(C)COc1ncccc1c2ccccc2 561109ae744a6db5ff87aec3f693cc00 [0,0,1,0,1,0|2,0,0]=4 412 B20R2.10808 CC(C)C(O)CNc1ncccc1c2ccccc2 0b31ceee43ebf89646fe565a58ad7bca [0,0,1,0,1,0|2,0,0]=4 413 B20R2.10808 CN(C)C(=O)CNc1ccccc1c2cccnc2 722659b547ac400b202d035ae19a5073 [0,0,1,0,1,0|1,0,1]=4 414 B20R2.10808 CN(C)C(=O)CNc1ncccc1c2ccccc2 7ee96332288d787fdc6f9511432e0c93 [0,0,1,0,1,0|1,0,1]=4 415 B20R2.24630 CC(CNc1nccn1Cc2ccccc2)N(C)C 45e3adeb8a87ca2918aa506e27b03d89 [0,0,1,0,1,0|2,0,0]=4 416 B20R2.24750 CC(C)C(C)Nc1ccccc1Sc2ccccc2 2759800c20e819ddce6c85e857419ac3 [0,0,1,0,1,0|2,0,0]=4 417 B20R2.24750 CC(C)C(C)Nc1ccccc1Sc2cnccn2 404370faf55c3fb003af8d48969b76e9 [0,0,1,0,1,0|2,0,0]=4 418 B20R2.24750 CC(C)C(C)Nc1ncccc1Oc2ccccc2 bb3c066e30cb1eea58137c7fb373a2bb [0,0,1,0,1,0|1,1,0]=4 419 B20R3.651490 CC(C)COn1c2ccccc2c3c1nccc3 9b4bd501249798e8bf344d62d91170f0 [1,0,0,0,1,0|2,0,0]=4 420 B20R3.651490 CN(C)COn1c2ccccc2c3c1nccc3 e0862e06bebfa51d767fda6e0cbe3ae4 [1,0,0,0,1,0|1,0,0]=3 421 B20R3.5877517 C=CC(C)N1c2ccccc2Sc3c1nccc3 a9115750616e2497a25b92630fd277b0 [1,0,0,0,1,0|1,0,1]=4 422 B20R3.5877517 CC(C=O)N1c2ccccc2Sc3c1nccc3 d1980d40c9083d991c05d2f57667f54c [1,0,0,0,1,0|2,0,0]=4 423 B20R3.5877517 CCC(C)N1c2ccccc2Sc3c1nccc3 d728b25693c5d2c3e3840b0177120dfe [1,0,0,0,1,0|1,0,0]=3 424 B20R3.5877517 C[C@H](C=O)N1c2ccccc2Sc3c1nccc3 2bfe82c9376dd891e8d09ffa8749d2b0 [1,0,0,0,1,0|2,0,0]=4 425 B20R3.5882703 CCC(C)On1c2ccccc2c3c1nccc3 fabb6c30c465160c2f97a78e130cab5e [1,0,0,0,1,0|2,0,0]=4 426 B22R2.41353 CC(CCNc1nccnc1Oc2ccccc2)N(C)C 905ef387d53476043511bff774d0b1e8 [0,0,1,0,0,1|1,1,0]=4 427 B22R2.41353 CC(CNCc1ccccc1Cc2ccccc2)N(C)C 04327e2d37a1d392cdb79d7be09f6ba1 [0,0,1,0,0,1|2,0,0]=4 428 B22R2.41353 CC(CNCc1ccccc1Oc2ccccc2)N(C)C fc9ee258cac5edce1a43d90ae57e0f0c [0,0,1,0,0,1|1,1,0]=4 429 B22R2.41353 C[C@@H](CCNc1nccnc1Oc2ccccc2)N(C)C 6c72b46abe0dbd60a83ef3acb3f3b2c0 [0,0,1,0,0,1|1,1,0]=4 430 B22R2.41353 C[C@H](CCNc1nccnc1Oc2ccccc2)N(C)C c4e4bcfe078b965d88940bc351031fb0 [0,0,1,0,0,1|1,1,0]=4 431 B22R2.41522 CC(C)C(C)CNc1ccccc1SCc2ccccc2 815a6002bb6883caa15577692c2a6c62 [0,0,1,0,0,1|2,0,0]=4 432 B22R2.41522 CC(C)C(C)CNc1ncccc1C#Cc2ccccc2 a342dd5537b7ee02ed5e51c092b69266 [0,0,1,0,0,1|2,0,0]=4 433 B22R2.41522 CC(C)C(C)CNc1ncccc1OCc2ccccc2 3a3fa81c40997b2ace7cfee376ffef18 [0,0,1,0,0,1|1,1,0]=4 434 B22R2.41522 CC(CNc1ncccc1OCc2ccccc2)N(C)C 501f743aa04134409850dfec40c92f89 [0,0,1,0,0,1|0,1,0]=3 435 B22R2.130721 CC(CNc1ccccc1Cc2ccccc2)CN(C)C 6005081bff7cad525bc786faa5e941ce [0,0,1,0,0,1|2,0,0]=4 436 B22R2.130721 CC(CNc1ccccc1Oc2ccccc2)CN(C)C f42258e048172784afaba7981763d7c1 [0,0,1,0,0,1|1,1,0]=4 437 B22R2.130721 CC(CNc1ccccc1Oc2cccnc2)CN(C)C e7c00b6fa23f5b1a8fafcb3d40a7c35b [0,0,1,0,0,1|0,1,0]=3 438 B22R2.130721 CC(CNc1ccccc1Sc2ccccc2)CN(C)C c41476a7d7672d99281454eebe232c65 [0,0,1,0,0,1|1,0,0]=3 439 B22R2.130721 CC(CNc1ccccc1Sc2cnccn2)CN(C)C 884dac29f818a8cc773545d896b75b3b [0,0,1,0,0,1|1,0,0]=3 440 B22R2.130721 CC(CNc1ncccc1Oc2ccccc2)CN(C)C 73e3060bf5eb2ea8f4bd91ed249a709b [0,0,1,0,0,1|0,1,0]=3 441 B22R2.130721 CC(CNc1nccnc1Oc2ccccc2)CN(C)C 5d4425e9b54beb3d9b1983718e2d0139 [0,0,1,0,0,1|1,1,0]=4 442 B22R2.201379 CN(C)C(=O)CCN(c1ccccn1)c2ccccc2S b6f77fbc8e49b905b7bc60835596a711 [0,0,1,0,0,1|1,0,1]=4 443 B22R2.201487 CC(CN(C)C)CN(c1ccccc1)c2ccccc2Cl 6d9a0776b90a8b925b48f8590cb93c23 [0,0,1,0,0,1|2,0,0]=4 444 B22R2.201487 CC(CN(C)C)CN(c1ccccc1)c2ccccc2F 106781cb52916757965c56682b9c6f71 [0,0,1,0,0,1|2,0,0]=4 445 B22R2.201487 CC(CN(C)C)CN(c1ccccc1)c2ncccc2Cl 23c688a9a142f939afb44ed2edaacb9a [0,0,1,0,0,1|1,0,0]=3 446 B22R2.201487 Cc1ccccc1N(CC(C)CN(C)C)c2ccccc2 5c268961122644aea86834c6e57db949 [0,0,1,0,0,1|2,0,0]=4 447 B22R2.201487 Cc1cccnc1N(CC(C)CN(C)C)c2ccccc2 1c8ad19de1348c0472950be811178a9e [0,0,1,0,0,1|1,0,0]=3 448 B22R3.12307660 CN(C)CCN1c2ccccc2COc3c1cccc3 b46e9f77f9278f4fab8dd1897c9b7250 [1,0,0,0,0,1|1,1,0]=4 449 B22R3.16170584 CN(C)CCN1Cc2ccccc2Cc3c1cccc3 8a140d1c8fa255991167d9f618f612c0 [1,0,0,0,0,1|2,0,0]=4 450 B22R3.16182945 C=C(C)CCCN1c2ccccc2Sc3c1nccc3 f477f465798c22c0eef6a31ce5c543f0 [1,0,0,0,0,1|1,0,1]=4 451 B22R3.16182945 CC(=CCCN1c2ccccc2Sc3c1cccc3)C 0eb685c20e6b2b80dc77aa2e67dba488 [1,0,0,0,0,1|2,0,0]=4 452 B22R3.16182945 CC(=CCCN1c2ccccc2Sc3c1nccc3)C 28793db4cf323ffdc42973ba3b0559c0 [1,0,0,0,0,1|1,0,0]=3 453 B22R3.16182945 CC(=O)CCCN1c2ccccc2Sc3c1nccc3 2a713d4cba471329879254ad556b54cc [1,0,0,0,0,1|2,0,0]=4 454 B22R3.16182945 CC(=O)NCCN1c2ccccc2Sc3c1nccc3 beb8e7bbb3bcb2c6f6249dc1a20c8dff [1,0,0,0,0,1|2,0,0]=4 455 B22R3.16182945 CC(=O)OCCN1c2ccccc2Sc3c1nccc3 2e9bb893f5a1119fbeb05693b70a6356 [1,0,0,0,0,1|2,0,0]=4 456 B22R3.16182945 CC(=O)SCCN1c2ccccc2Sc3c1nccc3 ef1a88f540682fcb9edacb653bacb96d [1,0,0,0,0,1|2,0,0]=4 457 B22R3.16182945 CC(C)/C=C/CN1c2ccccc2Sc3c1nccc3 3e0795375537011363b7766676ea8a4f [1,0,0,0,0,1|1,0,1]=4 458 B22R3.16182945 CC(C)CCCN1c2ccccc2Sc3c1cccc3 a5af08e98ee97c7a3cfd11d4876a8f49 [1,0,0,0,0,1|2,0,0]=4 459 B22R3.16182945 CC(C)CCCN1c2ccccc2Sc3c1nccc3 8900605b402842448afbea8be5ecf770 [1,0,0,0,0,1|1,0,0]=3 460 B22R3.16182945 CC(C)OCCN1c2ccccc2Sc3c1nccc3 9120d4e1bc13f292c598c7025c4da53f [1,0,0,0,0,1|1,0,0]=3 461 B22R3.16182945 CC(O)CCCN1c2ccccc2Sc3c1nccc3 6aac28b16249c0c2f595f248562b47a8 [1,0,0,0,0,1|2,0,0]=4 462 B22R3.16182945 CN(C)CCCN1c2ccccc2Cc3c1cccc3 eef6109ab7ad27bfaf17dfa382d3284a [1,0,0,0,0,1|2,0,0]=4 463 B22R3.16182945 CN(C)CCCN1c2ccccc2Oc3c1cccc3 eaaee1fa2ad186153fdc92a920d29322 [1,0,0,0,0,1|1,1,0]=4 464 B22R3.16182945 CN(C)CCCN1c2ccccc2Sc3c1cccc3 108d6084ac00b632fa144822a978ace6 [1,0,0,0,0,1|1,0,0]=3 465 B22R3.16182945 CN(C)CCCN1c2ccccc2Sc3c1nccc3 a5ef3add4db99e8b3e286d0367a08ad9 [1,0,0,0,0,1|0,0,0]=2 466 B22R3.16182945 CN(C)CCOC1c2ccccc2Sc3c1cccc3 36f1958a295c0d03b8a947b943068682 [1,0,0,0,0,1|2,0,0]=4 467 B22R3.23383988 CC(C)C(C)COn1c2ccccc2c3c1nccc3 1a8b97b505938b9aaddfcaefa6b4592f [0,0,0,0,1,1|1,0,0]=3 468 B22R3.23383988 CC(C)C(C)OCn1c2ccccc2c3c1cccc3 806197e6e30df8acce155daf5b3dfd7c [0,0,0,0,1,1|2,0,0]=4 469 B22R3.23383988 CN(C)C(=O)COn1c2ccccc2c3c1nccc3 6a651c2d5987cda4b7f9a7347cd76597 [0,0,0,0,1,1|1,0,1]=4 470 B22R3.41064905 CC(C)CC(C)On1c2ccccc2c3c1nccc3 409ecdb715a1ca1ca1843ea9dec4e624 [0,0,0,0,1,1|2,0,0]=4 471 B24R3.115567288 CC(CN(C)C)CN1Cc2ccccc2Cc3c1cccc3 1e9ac3e4320a5e4abc85e8080ae16f1d [0,0,0,0,0,2|2,0,0]=4 472 B24R3.115567288 CC(CN(C)C)CN1Cc2ccccc2Oc3c1cccc3 1d3f412b3e90be3b7b7e2107a0f726cf [0,0,0,0,0,2|1,1,0]=4 473 B24R3.59549317 CN(C)C(=O)/C=C/CN1c2ccccc2Sc3c1nccc3 59439c62da6608f75a9f7eac4a8cffc2 [0,0,0,0,0,2|1,0,1]=4 474 B24R3.59549317 CN(C)C(=O)CCCN1c2ccccc2Sc3c1nccc3 0956550a4aa588b3678e6b41a7196020 [0,0,0,0,0,2|1,0,1]=4 475 B24R3.115575348 CC(COC1c2ccccc2Sc3c1cccc3)CN(C)C 49f90583d99650dd6db709d0fddc9b01 [0,0,0,0,0,2|2,0,0]=4 476 B24R3.115675198 CC(CN(C)C)CN1c2ccccc2C=Cc3c1cccc3 ffa60dee8c9d04c54555c4dba9b29119 [0,0,0,0,0,2|2,0,0]=4 477 B24R3.115675198 CC(CN(C)C)CN1c2ccccc2CCc3c1cccc3 0ae224324a8503fb5183918169ae0d53 [0,0,0,0,0,2|2,0,0]=4 478 B24R3.115675198 CC(CN(C)C)CN1c2ccccc2COc3c1cccc3 6ad7ab0479759b14daebe90614aac1ba [0,0,0,0,0,2|1,1,0]=4 479 B24R3.65655796 CC(=O)OCC(C)CN1c2ccccc2Sc3c1nccc3 39b347da0ace830b28d0a104a561229f [0,0,0,0,0,2|2,0,0]=4 480 B24R3.65655796 CC(C)CCC(C)CN1c2ccccc2Sc3c1nccc3 346b4f9a74ba1133d8db43948ed8554e [0,0,0,0,0,2|1,0,0]=3