0 B13R1.599 C#CC(=O)NCCc1sccc1C 85976b8bf9ff12b0bb481d21d07c8d3a [0,0,0,0,0,0|2,0,2]=4 1 B13R1.599 C#CC(=O)NCCc1scnc1C 2a183e8eaac9c4646cd8bc7baab035f8 [0,0,0,0,0,0|1,0,2]=3 2 B13R1.599 C#CC(C)OCCc1scnc1C a965162a4b036ed97a08d05920c677fc [0,0,0,0,0,0|1,0,3]=4 3 B13R1.599 C#C[C@@H](C)OCCc1scnc1C 927490cccd88f24ba4bf9fd37a1ace85 [0,0,0,0,0,0|1,0,3]=4 4 B13R1.599 C#C[C@H](C)OCCc1scnc1C 4624ccfd55d0da76575de85f02167423 [0,0,0,0,0,0|1,0,3]=4 5 B13R1.599 C=C(C=O)OCCc1scnc1C 92a428c6433e80cb82504655331127b9 [0,0,0,0,0,0|2,0,1]=3 6 B13R1.599 C=C(CC)CNCc1scnc1Br c8408a1151819212999da60cb8fc20f3 [0,0,0,0,0,0|4,0,0]=4 7 B13R1.599 C=C(CC)CNCc1scnc1C d4a082a45ddd35dc3bc690526cc8f98e [0,0,0,0,0,0|3,0,0]=3 8 B13R1.599 C=C(CC)CNCc1snnc1C e15dd4d9e60b36df62106548bbfe13ec [0,0,0,0,0,0|4,0,0]=4 9 B13R1.599 C=C(CC)COCc1ocnc1C 965e3d4aeacf2eb53cd9b304c5955091 [0,0,0,0,0,0|3,1,0]=4 10 B13R1.599 C=C(CC)COCc1scnc1Br e7d0d1de7e262a90332c36a7d61a0a37 [0,0,0,0,0,0|4,0,0]=4 11 B13R1.599 C=C(CC)COCc1scnc1C 3c241ff48ed8cd94208d73f82a2d87b5 [0,0,0,0,0,0|3,0,0]=3 12 B13R1.599 C=C(CC)COCc1scnc1Cl 08dd3cf8e43f82727622cf845b1ab15b [0,0,0,0,0,0|4,0,0]=4 13 B13R1.599 C=C(CC)COCc1snnc1C 5f5a3c5bef198eb2310dc42471f3df67 [0,0,0,0,0,0|4,0,0]=4 14 B13R1.599 C=C(CNCc1scnc1C)OC b8b4f1c8d92f8bab871d81d9028ef08a [0,0,0,0,0,0|4,0,0]=4 15 B13R1.599 C=C(CO)CNCc1scnc1C 7226c226bf2902119f070944e3b12ca1 [0,0,0,0,0,0|4,0,0]=4 16 B13R1.599 C=C(COCc1scnc1C)OC 26c989c0aa76e2b683ad18b5e9d846a4 [0,0,0,0,0,0|4,0,0]=4 17 B13R1.599 C=CC(=O)NCCc1sccc1C 84a546406104ab185ecc1b19e21fae9a [0,0,0,0,0,0|2,0,2]=4 18 B13R1.599 C=CC(=O)NCCc1scnc1C 5099719d31d3ed64c4ad43789991efe4 [0,0,0,0,0,0|1,0,2]=3 19 B13R1.599 C=CC(C)OCCc1scnc1C 6ae3dfea6a248850f72458a5734629ec [0,0,0,0,0,0|1,0,3]=4 20 B13R1.599 C=C[C@H](C)OCCc1scnc1C 58224b874bf736736aa32eec579a8005 [0,0,0,0,0,0|1,0,3]=4 21 B13R1.599 CCC(=O)CNCc1ccnn1C 2092fc00e3856b669beecc76a5fa5a8c [0,0,0,0,0,0|4,0,0]=4 22 B13R1.599 CCC(=O)CNCc1ccoc1C e07fcf7395158ff1439b07bc90403f59 [0,0,0,0,0,0|4,0,0]=4 23 B13R1.599 CCC(=O)CNCc1conc1C a7fc852d548b939223c825d3376af16f [0,0,0,0,0,0|4,0,0]=4 24 B13R1.599 CCC(=O)CNCc1nc[nH]c1C 3c0a93bb4a1f2d04c15f0e3359edac3d [0,0,0,0,0,0|3,0,1]=4 25 B13R1.599 CCC(=O)CNCc1ncnn1C 3294e57adb48babbd253717bb15846bf [0,0,0,0,0,0|4,0,0]=4 26 B13R1.599 CCC(=O)CNCc1ncoc1C 69feddeb43bc20bf6303708c4d8e60e3 [0,0,0,0,0,0|4,0,0]=4 27 B13R1.599 CCC(=O)CNCc1nonc1C 46de31c7a741b8d31fa2a9a148b730a7 [0,0,0,0,0,0|4,0,0]=4 28 B13R1.599 CCC(=O)CNCc1occc1C 345d0e81e8fd0f0ebfe2a4c13cc23dd1 [0,0,0,0,0,0|3,1,0]=4 29 B13R1.599 CCC(=O)CNCc1sccc1Br cf9f458728f29ef2d470761712becebc [0,0,0,0,0,0|4,0,0]=4 30 B13R1.599 CCC(=O)CNCc1sccc1Cl f44ee3152214d83b4b0d9b37a4e6994f [0,0,0,0,0,0|4,0,0]=4 31 B13R1.599 CCC(=O)CNCc1sccc1F b920ea5b4ba12d3e531bfeedbac925a5 [0,0,0,0,0,0|4,0,0]=4 32 B13R1.599 CCC(=O)CNCc1scnc1Br 48d724bc9bdcd4a51a59ac6b9aa83e7d [0,0,0,0,0,0|3,0,0]=3 33 B13R1.599 CCC(=O)CNCc1scnc1C 52b5ac7f600bfac538bb89d11fbd1616 [0,0,0,0,0,0|2,0,0]=2 34 B13R1.599 CCC(=O)CNCc1snnc1C 3a565ab32bae4c471655497e63dd50c4 [0,0,0,0,0,0|3,0,0]=3 35 B13R1.599 CCC(=O)COCc1c[nH]nc1C e3286b35dde5110dd24365ba11262cb6 [0,0,0,0,0,0|4,0,0]=4 36 B13R1.599 CCC(=O)COCc1ccnn1C 6639d7f65f14733de3e3f5dd58582540 [0,0,0,0,0,0|4,0,0]=4 37 B13R1.599 CCC(=O)COCc1ccoc1C 69effc301832a3542d245324e05094ba [0,0,0,0,0,0|4,0,0]=4 38 B13R1.599 CCC(=O)COCc1nc[nH]c1C b26b5b102c43a361ce16301c10289a19 [0,0,0,0,0,0|3,0,1]=4 39 B13R1.599 CCC(=O)COCc1ncnn1C e011826c02d0b8a26b52e8f5651f42d5 [0,0,0,0,0,0|4,0,0]=4 40 B13R1.599 CCC(=O)COCc1ncoc1C 4ecb663d19d147717005e5b141727607 [0,0,0,0,0,0|4,0,0]=4 41 B13R1.599 CCC(=O)COCc1ncsc1C f7641de82803143115b0012dc2983ef0 [0,0,0,0,0,0|4,0,0]=4 42 B13R1.599 CCC(=O)COCc1nonc1C 68156ec3549642a149279b35694728a1 [0,0,0,0,0,0|4,0,0]=4 43 B13R1.599 CCC(=O)COCc1occc1C c680dcba7c743c841cfb40ae9fe76b58 [0,0,0,0,0,0|3,1,0]=4 44 B13R1.599 CCC(=O)COCc1ocnc1C eff0f6d636e93767344fe5459ee01c85 [0,0,0,0,0,0|2,1,0]=3 45 B13R1.599 CCC(=O)COCc1sccc1C 02ec37fe3c8643c43dab0127f387b1b1 [0,0,0,0,0,0|3,0,0]=3 46 B13R1.599 CCC(=O)COCc1sccc1Cl 593c9189ca2b9d95854f6bf8c8a9dae3 [0,0,0,0,0,0|4,0,0]=4 47 B13R1.599 CCC(=O)COCc1sccc1F bdafe1e256e35d4ebc8bc14739095766 [0,0,0,0,0,0|4,0,0]=4 48 B13R1.599 CCC(=O)COCc1scnc1Br 8ba5e74806e45ecdd690d786581a27b4 [0,0,0,0,0,0|3,0,0]=3 49 B13R1.599 CCC(=O)COCc1scnc1C 0676d5ff628a5cda318470721d08d259 [0,0,0,0,0,0|2,0,0]=2 50 B13R1.599 CCC(=O)COCc1scnc1Cl 68090eaf13e34bb3729aa8a612d55a04 [0,0,0,0,0,0|3,0,0]=3 51 B13R1.599 CCC(=O)COCc1snnc1C 894712161fa1cdddab6c90a175464af2 [0,0,0,0,0,0|3,0,0]=3 52 B13R1.599 CCC(=O)NCCc1cccn1C fe8288892c6ab4384a622dfab352ce6a [0,0,0,0,0,0|4,0,0]=4 53 B13R1.599 CCC(=O)NCCc1ccnn1C c5dab38e54d77102a3b22d6ab54f2091 [0,0,0,0,0,0|3,0,0]=3 54 B13R1.599 CCC(=O)NCCc1ccsc1Br 439e0298940704bc33ff416ef90206ed [0,0,0,0,0,0|4,0,0]=4 55 B13R1.599 CCC(=O)NCCc1nccn1C 936dc773b6c4de52b25d67e2d160b67a [0,0,0,0,0,0|4,0,0]=4 56 B13R1.599 CCC(=O)NCCc1sccc1C e51946eabe6036c1d5886daa013e12cb [0,0,0,0,0,0|2,0,0]=2 57 B13R1.599 CCC(=O)NCCc1scnc1C e1cf090064db3cc7b5b99a7f3857e142 [0,0,0,0,0,0|1,0,0]=1 58 B13R1.599 CCC(=O)OCNc1c[nH]nc1Br 7e8299538fa4ceb726f0f53a4b56c357 [0,0,0,0,0,0|4,0,0]=4 59 B13R1.599 CCC(=O)OCNc1c[nH]nc1C 7171330325f7a6859502ac42ef217ec0 [0,0,0,0,0,0|3,0,0]=3 60 B13R1.599 CCC(=O)OCNc1n[nH]cc1C 02c69c94fdab1abd060ba24ecf49a2cf [0,0,0,0,0,0|4,0,0]=4 61 B13R1.599 CCC(=O)OCNc1nccn1C 0b2d8c2f48d171ddeb2b40742b69de02 [0,0,0,0,0,0|4,0,0]=4 62 B13R1.599 CCC(=O)OCNc1scnc1C 05a6c02ba485551c5ee85e77b9ca1328 [0,0,0,0,0,0|1,0,0]=1 63 B13R1.599 CCC(=O)OCOc1cccn1C a55ab4f93dbbc05a9e8698725127ffbd [0,0,0,0,0,0|4,0,0]=4 64 B13R1.599 CCC(=O)OCOc1ccnn1C ec141bf435721dfb555d2a45ece58211 [0,0,0,0,0,0|3,0,0]=3 65 B13R1.599 CCC(=O)OCOc1cn[nH]c1C 33d552d5b3b99361d42a3328bda34d99 [0,0,0,0,0,0|3,0,1]=4 66 B13R1.599 CCC(=O)OCOc1n[nH]cc1C 7b1fa895446c8ae092adfba0e3540b2a [0,0,0,0,0,0|4,0,0]=4 67 B13R1.599 CCC(=O)OCOc1nsnc1Cl 54c5385d90fbc82b2682757c5184cbd4 [0,0,0,0,0,0|4,0,0]=4 68 B13R1.599 CCC(C)CCNc1scnc1C 7d5258aab6b36f3620662dc6100e6023 [0,0,0,0,0,0|3,0,1]=4 69 B13R1.599 CCC(C)CNCc1scnc1C 914e390b5c6668aa2e80877cbe1ab273 [0,0,0,0,0,0|3,0,1]=4 70 B13R1.599 CCC(C)COCc1scnc1C a854b61f7b076e0c848bacafb882c563 [0,0,0,0,0,0|3,0,1]=4 71 B13R1.599 CCC(C)NCCc1sccc1C 4b1df99c331cc40945254cf8cff3a198 [0,0,0,0,0,0|3,0,1]=4 72 B13R1.599 CCC(C)NCCc1scnc1C d11dea8b754919040c0fb5c2ee11c2f5 [0,0,0,0,0,0|2,0,1]=3 73 B13R1.599 CCC(C)OCCc1ncsc1C 13108e0acd7171c18d30e1ab0ec30139 [0,0,0,0,0,0|3,0,1]=4 74 B13R1.599 CCC(C)OCCc1scnc1C 25ba4b39f07050fe534a705bb5a5ae20 [0,0,0,0,0,0|1,0,1]=2 75 B13R1.599 CCC(C)OCCn1ccnc1C 30d5e65260645f76b84ad4ef5f0b2771 [0,0,0,0,0,0|3,0,1]=4 76 B13R1.599 CCC(O)CNCc1scnc1C e4e33160b08ac3ae2600c3c5af7f5e3c [0,0,0,0,0,0|2,0,2]=4 77 B13R1.599 CCS(=O)CCNc1scnc1C 5666c0e89218a6b1d85ef2b71df7b9b2 [0,0,0,0,0,0|3,0,0]=3 78 B13R1.599 CC[C@@H](C)CNCc1scnc1C ee583ab8c77751f1de94a18bbd16e2ee [0,0,0,0,0,0|3,0,1]=4 79 B13R1.599 CC[C@@H](C)COCc1scnc1C d0e0c95e21d129e17f80f879e5734b10 [0,0,0,0,0,0|3,0,1]=4 80 B13R1.599 CC[C@@H](C)NCCc1scnc1C 72d760caa19d3f7a86b593da26f3c148 [0,0,0,0,0,0|2,0,1]=3 81 B13R1.599 CC[C@@H](C)OCCc1scnc1C 665595fb53c2b4dfbeb04828eae27518 [0,0,0,0,0,0|1,0,1]=2 82 B13R1.599 CC[C@@H](O)CNCc1scnc1C 09e331336a89fc854e87534a5da1c0fb [0,0,0,0,0,0|2,0,2]=4 83 B13R1.599 CC[C@H](C)CNCc1scnc1C 0a100f743a0bc4602e9270ce77d31e66 [0,0,0,0,0,0|3,0,1]=4 84 B13R1.599 CC[C@H](C)COCc1scnc1C 78bd2b8a03c64beafa2d94632e28b574 [0,0,0,0,0,0|3,0,1]=4 85 B13R1.599 CC[C@H](C)NCCc1scnc1C e3efee0e823f68a02bf42e432a7d7846 [0,0,0,0,0,0|2,0,1]=3 86 B13R1.599 CC[C@H](C)OCCc1scnc1C bb97300d1d4d5500a184b7708babcf38 [0,0,0,0,0,0|1,0,1]=2 87 B13R1.599 CNC(=O)CCNc1[nH]cnc1C c8be5c4a3d73070f8fd68d302cb6578c [0,0,0,0,0,0|4,0,0]=4 88 B13R1.599 CNC(=O)CCNc1sccc1C 0b456b6b57e95bcb14950e8d4118de5a [0,0,0,0,0,0|4,0,0]=4 89 B13R1.599 CNC(=O)CCNc1scnc1C 373f9485c74bdfbd338e63cd699d1a3f [0,0,0,0,0,0|3,0,0]=3 90 B13R1.599 CNC(=O)CNCc1scnc1Br 1a98559607f79739691a88a579cbfac8 [0,0,0,0,0,0|4,0,0]=4 91 B13R1.599 CNC(=O)CNCc1scnc1C f40e56296fed89b6b5d6a3016b1ee0a7 [0,0,0,0,0,0|3,0,0]=3 92 B13R1.599 CNC(=O)CNCc1scnc1Cl e775750135268367140de3ebec9bf12e [0,0,0,0,0,0|4,0,0]=4 93 B13R1.599 CNC(=O)CNCc1snnc1C 404b03b27d160e56601b794ee9ee9b04 [0,0,0,0,0,0|4,0,0]=4 94 B13R1.599 CNC(=O)COCc1ocnc1C 6b206352b36e761e4550c6d3c0c87a27 [0,0,0,0,0,0|3,1,0]=4 95 B13R1.599 CNC(=O)COCc1sccc1C 2db6faecc7697f48b2d45b285244bcdb [0,0,0,0,0,0|4,0,0]=4 96 B13R1.599 CNC(=O)COCc1scnc1Br 1a2135d0f7119d41c17812d3a803a36a [0,0,0,0,0,0|4,0,0]=4 97 B13R1.599 CNC(=O)COCc1scnc1C 3a3c7e2c21de9d840f273ea182484545 [0,0,0,0,0,0|3,0,0]=3 98 B13R1.599 CNC(=O)COCc1scnc1Cl cacd161b1f813b3d31161e5ef538e550 [0,0,0,0,0,0|4,0,0]=4 99 B13R1.599 CNC(=O)COCc1snnc1C 2fc520d9eae43f1766c21d8e21fa6d8b [0,0,0,0,0,0|4,0,0]=4 100 B13R1.599 COC(=O)CCNc1sccc1C c7fdf008d243d38e029e754282988d58 [0,0,0,0,0,0|4,0,0]=4 101 B13R1.599 COC(=O)CCNc1scnc1C 97ee6455d9220ade63f0edca91b562f7 [0,0,0,0,0,0|3,0,0]=3 102 B13R1.599 COC(=O)CNCc1scnc1Br e213658477be3a3acaf65b75c334aa32 [0,0,0,0,0,0|4,0,0]=4 103 B13R1.599 COC(=O)CNCc1scnc1C da64ae482bbc47ef185c449379455747 [0,0,0,0,0,0|3,0,0]=3 104 B13R1.599 COC(=O)CNCc1scnc1Cl cd0d1e97a850ce1f9b7372351715e445 [0,0,0,0,0,0|4,0,0]=4 105 B13R1.599 COC(=O)CNCc1snnc1C cde4fd4f8be7bbf92b82c58ad86e9471 [0,0,0,0,0,0|4,0,0]=4 106 B13R1.599 COC(=O)COCc1ocnc1C 72f0106629feb5201f22627cf7261f92 [0,0,0,0,0,0|3,1,0]=4 107 B13R1.599 COC(=O)COCc1sccc1C de7887a84377e2edbdaf4f4a88b99372 [0,0,0,0,0,0|4,0,0]=4 108 B13R1.599 COC(=O)COCc1scnc1Br a39761c90782b7f171d960a9e6d5db22 [0,0,0,0,0,0|4,0,0]=4 109 B13R1.599 COC(=O)COCc1scnc1C 1ff6a529a33212addd1b8de7a86510b1 [0,0,0,0,0,0|3,0,0]=3 110 B13R1.599 COC(=O)COCc1scnc1Cl 11d678b99f1f40de36549fdf51c208ba [0,0,0,0,0,0|4,0,0]=4 111 B13R1.599 COC(=O)COCc1snnc1C 63bd919a4d325f397668d751149d625f [0,0,0,0,0,0|4,0,0]=4 112 B13R1.599 COC(=O)OCNc1c[nH]nc1C 37af01cb2b3a2b4f6e4afb1a39f66e9f [0,0,0,0,0,0|4,0,0]=4 113 B13R1.599 COC(=O)OCNc1ccnn1C 9cdc582a5b5193c438564f41ef9c593c [0,0,0,0,0,0|4,0,0]=4 114 B13R1.599 COC(=O)OCNc1scnc1C 720d3e0075672f93587b24e685750715 [0,0,0,0,0,0|2,0,0]=2 115 B13R1.599 COC(=O)OCOc1ccnn1C 42e0fe365b8dcb5753d5a092b3b15f2a [0,0,0,0,0,0|4,0,0]=4 116 B13R1.599 Cc1ccsc1CCNC(=O)C=O 571a4466290c59069b893ae2fc66b3f4 [0,0,0,0,0,0|3,0,1]=4 117 B13R1.599 Cc1ccsc1CCNC(=O)CF e6bd7dba2c89b8a303a5d1e892a3f231 [0,0,0,0,0,0|3,0,0]=3 118 B13R1.599 Cc1ccsc1CCNC(=O)CO 708c4b81251978d9dc8ee781f31e4244 [0,0,0,0,0,0|3,0,0]=3 119 B13R1.599 Cc1ccsc1CCNC(=O)CS 7faa26837a5f0b65fcc800662a6cc003 [0,0,0,0,0,0|3,0,0]=3 120 B13R1.599 Cc1ncsc1CCNC(=O)C=O 4d2b3dd28e4f52456ba0cfd9734a111f [0,0,0,0,0,0|2,0,1]=3 121 B13R1.599 Cc1ncsc1CCNC(=O)CF 6038a900051cac4de785f377cf6853b2 [0,0,0,0,0,0|2,0,0]=2 122 B13R1.599 Cc1ncsc1CCNC(=O)CO 8820ef3c077127ee0a3c8fa3fb0b4014 [0,0,0,0,0,0|2,0,0]=2 123 B13R1.599 Cc1ncsc1CCNC(=O)CS cfc215c958cedfb96be7d9775f7972d0 [0,0,0,0,0,0|2,0,0]=2 124 B13R1.599 Cc1ncsc1CCNC(C)CO a23103c1960bbeec48046197c689183a [0,0,0,0,0,0|3,0,1]=4 125 B13R1.599 Cc1ncsc1CCN[C@@H](C)CO 9a1d98c0148d63a9d33baf2e1b252f2e [0,0,0,0,0,0|3,0,1]=4 126 B13R1.599 Cc1ncsc1CCN[C@H](C)CO 1744c957f0870ebd7ec0c4a567ee53be [0,0,0,0,0,0|3,0,1]=4 127 B13R1.599 Cc1ncsc1CCOC(C)C=O 9d6d544099e2bf90ab3c5d020028b5e6 [0,0,0,0,0,0|2,0,2]=4 128 B13R1.599 Cc1ncsc1CCOC(C)CF ac3af110370633f0b4e5351fdad264d0 [0,0,0,0,0,0|2,0,1]=3 129 B13R1.599 Cc1ncsc1CCOC(C)CS 76f6e3c6e204d1a445a6c342e21dab6d [0,0,0,0,0,0|2,0,1]=3 130 B13R1.599 Cc1ncsc1CCO[C@H](C)C=O 77e315b53a8375a3804bf6f6c9b7dd7c [0,0,0,0,0,0|2,0,2]=4 131 B13R1.599 Cc1ncsc1CCO[C@H](C)CS 79bea54a02745b44e402a15a3556a7ba [0,0,0,0,0,0|2,0,1]=3 132 B13R1.599 Cc1ncsc1CNCC(=O)CO d9caa24ca9dad71bc3fdd5f9305a9ecc [0,0,0,0,0,0|3,0,0]=3 133 B13R1.599 Cc1ncsc1CNCC(=O)NO dbf11c40a27cc98a4eb3cfcf58445873 [0,0,0,0,0,0|4,0,0]=4 134 B13R1.599 Cc1ncsc1NCCC(=O)NO f0fe166d2a4c90d5955a88fbb72bfd24 [0,0,0,0,0,0|4,0,0]=4 135 B13R1.599 Cc1nnsc1CNCC(=O)CO cf2d0b19390a2839133b2d3861db56e3 [0,0,0,0,0,0|4,0,0]=4 136 B13R1.599 Cn1nccc1CCNC(=O)CF 7e2432295da422ab00cfe879c44a78d2 [0,0,0,0,0,0|4,0,0]=4 137 B13R1.599 Cn1nccc1CCNC(=O)CO 9766959d613bc1953543818c27218044 [0,0,0,0,0,0|4,0,0]=4 138 B13R1.599 Cn1nccc1CCNC(=O)CS 948496db8a1839d70753b40363e364bf [0,0,0,0,0,0|4,0,0]=4 139 B13R1.599 O=C(CO)CNCc1scnc1Br 0fb5c0daa0589696f924ac5658290d44 [0,0,0,0,0,0|4,0,0]=4 140 B12R1.130 C/C(=C/CNc1scnc1C)/I e8e7d2aef7bf666bb15a448283a76b29 [1,0,0,0,0,0|3,0,0]=4 141 B12R1.130 C/C(=C\CNc1scnc1C)/Cl 04a4c402ea14d94e48a3292a3b53c6f5 [1,0,0,0,0,0|3,0,0]=4 142 B12R1.130 C=C(C)CCNc1scnc1C 636383e3b95a78002adde3006bb92a79 [1,0,0,0,0,0|3,0,0]=4 143 B12R1.130 C=C(C)CNCc1scnc1C 1897c5d1baab99212e070ef3c2fe79dc [1,0,0,0,0,0|3,0,0]=4 144 B12R1.130 C=C(C)COCc1scnc1C c8ac8e88d67ea68c58b6cc60b513c561 [1,0,0,0,0,0|3,0,0]=4 145 B12R1.130 CC(=CCNc1scnc1C)C 85af7b1b9367b31d8a4426737c140e17 [1,0,0,0,0,0|3,0,0]=4 146 B12R1.130 CC(=CCNc1scnc1C)Cl 97162c1d8818bfd368abbdd90256348c [1,0,0,0,0,0|3,0,0]=4 147 B12R1.130 CC(=CCNc1scnc1C)I d206b0783720744548efba8eac1e5ce6 [1,0,0,0,0,0|3,0,0]=4 148 B12R1.130 CC(=O)CCNc1scnc1C c9364587a67b9b52ead79a0e9baebfac [1,0,0,0,0,0|2,0,0]=3 149 B12R1.130 CC(=O)CNCc1scnc1C 6e73b5e6810cd7fa85bb21c0f187ed48 [1,0,0,0,0,0|2,0,0]=3 150 B12R1.130 CC(=O)CNCc1scnc1Cl d7558ff719d45e72c74280d973ba22de [1,0,0,0,0,0|3,0,0]=4 151 B12R1.130 CC(=O)CNCc1snnc1C 7accc49e44464dceed42fea21ec58423 [1,0,0,0,0,0|3,0,0]=4 152 B12R1.130 CC(=O)COCc1scnc1C 22a1c394419d260449b52fc711d5831a [1,0,0,0,0,0|2,0,0]=3 153 B12R1.130 CC(=O)COCc1scnc1Cl 4c71faba0a563882d29174dc7d952eea [1,0,0,0,0,0|3,0,0]=4 154 B12R1.130 CC(=O)COCc1snnc1C 81c6df985d7e93db19bfaad8a775fbd2 [1,0,0,0,0,0|3,0,0]=4 155 B12R1.130 CC(=O)NCCc1ccnn1C ceb821115b7877485faf70fd4aad6649 [1,0,0,0,0,0|3,0,0]=4 156 B12R1.130 CC(=O)NCCc1sccc1C 54d2325cc7c28ca90bd4f8f05c8ba280 [1,0,0,0,0,0|2,0,0]=3 157 B12R1.130 CC(=O)NCCc1scnc1C b192de06a9fd78bc08ea3dc896d82d5c [1,0,0,0,0,0|1,0,0]=2 158 B12R1.130 CC(=O)OCNc1c[nH]nc1C 4ffab42412dc50cc2bf67000bba68bb7 [1,0,0,0,0,0|3,0,0]=4 159 B12R1.130 CC(=O)OCNc1ccnn1C 71e9007967e0f76ebb55b4798d62f434 [1,0,0,0,0,0|3,0,0]=4 160 B12R1.130 CC(=O)OCNc1ccsc1C 37e60f2d6fdd9a7b94a5bb5f55c7668f [1,0,0,0,0,0|3,0,0]=4 161 B12R1.130 CC(=O)OCNc1conc1C 113e126fdc7a062ef61b0d10ffd11b32 [1,0,0,0,0,0|3,0,0]=4 162 B12R1.130 CC(=O)OCNc1csnc1C c437b6229d2d376ff2f3af58e93e644a [1,0,0,0,0,0|3,0,0]=4 163 B12R1.130 CC(=O)OCNc1ncnn1C b4ace7dbbab779c869e832e8c0b0bc0a [1,0,0,0,0,0|3,0,0]=4 164 B12R1.130 CC(=O)OCNc1nonc1C 84533f6d642764a142b80f362494e841 [1,0,0,0,0,0|3,0,0]=4 165 B12R1.130 CC(=O)OCNc1scnc1C a68a31e7c55595c5b3b4e3eb8db9d880 [1,0,0,0,0,0|1,0,0]=2 166 B12R1.130 CC(=O)OCOc1ccnn1C bf928cae03a2c31c4fc5b218e22ab170 [1,0,0,0,0,0|3,0,0]=4 167 B12R1.130 Cc1ncsc1CCOC(C)C 672e3213967ce84795b56e8f9a74444b [1,0,0,0,0,0|1,0,1]=3 168 B12R1.130 Cc1ncsc1CNCC(=O)N d17fd51ac5aa6591bd6b7e111b20a8fa [1,0,0,0,0,0|3,0,0]=4 169 B12R1.130 Cc1ncsc1CNCC(=O)O 7f48db4cec8901cc56b3dbb4e59e4a17 [1,0,0,0,0,0|3,0,0]=4 170 B12R1.130 Cc1ncsc1COCC(=O)N d1158445cf39bbcc613010ab0b20a130 [1,0,0,0,0,0|3,0,0]=4 171 B12R1.130 Cc1ncsc1COCC(=O)O c5813b8650c9f74347c5c251cd07d65a [1,0,0,0,0,0|3,0,0]=4 172 B12R1.130 Cc1ncsc1NCCC(=O)N 5ee10cd2db7492bbb59ad4afc3bc2782 [1,0,0,0,0,0|3,0,0]=4 173 B12R1.130 Cc1ncsc1NCCC(=O)O c009119445ad9649880dbee8c5e0609c [1,0,0,0,0,0|3,0,0]=4 174 B12R1.130 Cc1ncsc1NCCS(=O)C 023ab6b77b56fa3ed43c48ee4c777c58 [1,0,0,0,0,0|3,0,0]=4 175 B12R1.130 Cc1ncsc1NCOC(C)C afcdb13c9240c58361e891b2eaeebf97 [1,0,0,0,0,0|2,0,1]=4 176 B12R1.130 Cc1ncsc1NCSC(=O)N 559daad1a0af582a008fb8d420235df6 [1,0,0,0,0,0|2,1,0]=4 177 B12R1.372 C#CCOCCc1scnc1C ace3b59ae2af108c9709d0dcc7cc53ad [1,0,0,0,0,0|0,0,3]=4 178 B12R1.372 C/C=C/CNCc1scnc1C 2fb7d5502cebb99c123a2b4192b2ef99 [1,0,0,0,0,0|2,0,1]=4 179 B12R1.372 C/C=C/COCc1scnc1C e3815ee13999b136d450f6ca8f98b83e [1,0,0,0,0,0|2,0,1]=4 180 B12R1.372 C/C=C\CNCc1scnc1C ee4d9a07cb71eba86cfe7437b789d158 [1,0,0,0,0,0|2,0,1]=4 181 B12R1.372 C/C=C\COCc1scnc1C 643c3790b03031b505dbcf32dc345fb5 [1,0,0,0,0,0|2,0,1]=4 182 B12R1.372 C=CCOCCc1scnc1C 4daf9843b417eefa87d0aa4dd57897c2 [1,0,0,0,0,0|0,0,3]=4 183 B12R1.372 CC/C=C/CNc1scnc1C 14a0cb04444f95b18acca370c0f1701c [1,0,0,0,0,0|2,0,0]=3 184 B12R1.372 CC=CCNCc1scnc1C dadc054f0eaa64999b74424935f8694f [1,0,0,0,0,0|2,0,1]=4 185 B12R1.372 CC=CCOCc1scnc1C b3690cd5d11471a886ba4286a862c1b9 [1,0,0,0,0,0|2,0,1]=4 186 B12R1.372 CCCCCNc1scnc1C 26ec849661f7b9ff5a80ac1b43618d5b [1,0,0,0,0,0|2,0,1]=4 187 B12R1.372 CCCCNCc1scnc1C 403c42152c0ae7c174a8b64a9aa887a4 [1,0,0,0,0,0|2,0,1]=4 188 B12R1.372 CCCCOCc1scnc1C d2b31e8034fc9c86b3aefa30f96d13f8 [1,0,0,0,0,0|2,0,1]=4 189 B12R1.372 CCCNCCc1sccc1C 47fa6a911c40a4725c6255a61d494fe5 [1,0,0,0,0,0|2,0,1]=4 190 B12R1.372 CCCNCCc1scnc1C 563fac011f34e5c35d7727ec28b2c8e7 [1,0,0,0,0,0|1,0,1]=3 191 B12R1.372 CCCOCCc1ncsc1C 4d914be003adad03cf87e22ca39706c4 [1,0,0,0,0,0|2,0,1]=4 192 B12R1.372 CCCOCCc1scnc1C 542c230bb4eff03818994ec3a553937e [1,0,0,0,0,0|0,0,1]=2 193 B12R1.372 CCCOCCn1ccnc1C d73a38658aab1cf09d7295ae1b09f0ae [1,0,0,0,0,0|2,0,1]=4 194 B12R1.372 CCNCCCc1scnc1C 936d6cc2e2f6bff94bfd610359569181 [1,0,0,0,0,0|2,0,0]=3 195 B12R1.372 CCOCCCc1scnc1C 1ffbfc78364f67f672564e1e5019a187 [1,0,0,0,0,0|2,0,0]=3 196 B12R1.372 CCOCCNc1scnc1C 819115c59ffd5e70dd1b7f7126c39e28 [1,0,0,0,0,0|3,0,0]=4 197 B12R1.372 CCOCNCc1scnc1C 1e8e757d6415d067a2da0f3135187014 [1,0,0,0,0,0|3,0,0]=4 198 B12R1.372 CCSCCNc1scnc1C d6057ac30f1471b1c4ef8cc534b6c392 [1,0,0,0,0,0|3,0,0]=4 199 B12R1.372 COCNCCc1scnc1C 2c2caf422095ec8011fdfe7339440d3b [1,0,0,0,0,0|2,0,1]=4 200 B12R1.372 COCOCCc1scnc1C 3f3bd3b61896340ecee400b81cb53402 [1,0,0,0,0,0|1,0,1]=3 201 B12R1.372 CSCNCCc1scnc1C 1e80f7c6c0910bf81a53c6ff0ac0c0e1 [1,0,0,0,0,0|2,0,1]=4 202 B12R1.372 CSCOCCc1scnc1C 2772717a9367a1cb5b13810845905228 [1,0,0,0,0,0|1,0,1]=3 203 B12R1.372 Cc1ncsc1CCCNCF 7b1a363b8a95c4456f0b574d01daf4d1 [1,0,0,0,0,0|3,0,0]=4 204 B12R1.372 Cc1ncsc1CCCNCO 3d9b3ab5b6f17c52fce84af3d5751edb [1,0,0,0,0,0|3,0,0]=4 205 B12R1.372 Cc1ncsc1CCCOCF d62d9ced6402a5ead5b271fac51b4c6a [1,0,0,0,0,0|3,0,0]=4 206 B12R1.372 Cc1ncsc1CCNCCBr eb2eeba26124801b2ca32b3c6d9e2a5f [1,0,0,0,0,0|2,0,1]=4 207 B12R1.372 Cc1ncsc1CCNCCF de8b56f553f939a2eb54d98a7be1a6dd [1,0,0,0,0,0|2,0,1]=4 208 B12R1.372 Cc1ncsc1CCNCCI 83d81527aad1aef3c835e99ff5335c59 [1,0,0,0,0,0|2,0,1]=4 209 B12R1.372 Cc1ncsc1CCNCCO e9d242826c7c4a9e44c045c8b89fb18d [1,0,0,0,0,0|2,0,1]=4 210 B12R1.372 Cc1ncsc1CCNCCS 1195bdd016a096c643ec550f71316b2f [1,0,0,0,0,0|2,0,1]=4 211 B12R1.372 Cc1ncsc1CCOCC#N 6c2c4cd2fee130df4c7352416aef55ef [1,0,0,0,0,0|1,0,2]=4 212 B12R1.372 Cc1ncsc1CCOCC=O 81e2cc888578a8930cd6d6be4af18baf [1,0,0,0,0,0|1,0,2]=4 213 B12R1.372 Cc1ncsc1CCOCCF 2fad8e883305b6123e5ff73eaca0b21e [1,0,0,0,0,0|1,0,1]=3 214 B12R1.372 Cc1ncsc1CCOCCS 762cfa879d21b9222a927bbc31e3bfda [1,0,0,0,0,0|1,0,1]=3 215 B12R1.477 C=C(CC)CNCc1cncs1 5d4f05e58291113a077d3226cfd15621 [1,0,0,0,0,0|3,0,0]=4 216 B12R1.477 C=C(CC)COCc1cncs1 ce58673b4c750087118a63b8a7a691d1 [1,0,0,0,0,0|3,0,0]=4 217 B12R1.477 CCC(=O)CNCc1cccs1 fa9708472910a71ebed18db35c96e0d0 [1,0,0,0,0,0|3,0,0]=4 218 B12R1.477 CCC(=O)CNCc1cnco1 f385aa9da5420e4c5edaecbb8175d8e5 [1,0,0,0,0,0|2,1,0]=4 219 B12R1.477 CCC(=O)CNCc1cncs1 11626b1de273dfe11a4a39e3d0fe7af3 [1,0,0,0,0,0|2,0,0]=3 220 B12R1.477 CCC(=O)COCc1cccs1 18e63268f947d8a64791e46423b910f1 [1,0,0,0,0,0|3,0,0]=4 221 B12R1.477 CCC(=O)COCc1cnc[nH]1 1cb43b3157d5415ad891af84581c1bc9 [1,0,0,0,0,0|3,0,0]=4 222 B12R1.477 CCC(=O)COCc1cnco1 6b01a7cdd6a98e45ee18574e35d7232e [1,0,0,0,0,0|2,1,0]=4 223 B12R1.477 CCC(=O)COCc1cncs1 41d3b0e432be430fb2a939a098afdfc9 [1,0,0,0,0,0|2,0,0]=3 224 B12R1.477 CCC(=O)NCCc1ccco1 a57a3f81596031473f72e71516ffc990 [1,0,0,0,0,0|2,1,0]=4 225 B12R1.477 CCC(=O)NCCc1cccs1 fc6c794fcf581c196e6509dcd1a8b636 [1,0,0,0,0,0|2,0,0]=3 226 B12R1.477 CCC(=O)NCCc1ccsc1 7c55d82f8daf8ab72c270c2aa1076dbc [1,0,0,0,0,0|3,0,0]=4 227 B12R1.477 CCC(=O)NCCc1cnoc1 b1b49d09c7fa370eecc387d89470f843 [1,0,0,0,0,0|3,0,0]=4 228 B12R1.477 CCC(=O)NCCc1cscn1 e43422e040109af83b4a33a11d9ce3d8 [1,0,0,0,0,0|3,0,0]=4 229 B12R1.477 CCC(=O)NCCc1nccs1 de69a1fbc50f98bee8e6c626d637b1b7 [1,0,0,0,0,0|3,0,0]=4 230 B12R1.477 CCC(=O)NCCc1nncs1 57ca4e934f017ec5619d888c5269ed50 [1,0,0,0,0,0|2,0,0]=3 231 B12R1.477 CCC(=O)NCCn1ccnc1 744b8f7ad69b1e516ff63c52e7bfa567 [1,0,0,0,0,0|3,0,0]=4 232 B12R1.477 CCC(=O)NCCn1cncn1 8eace49fbb85802d177933034318efd1 [1,0,0,0,0,0|3,0,0]=4 233 B12R1.477 CCC(=O)OCNc1ccns1 4833eb73175fa6f080c377a25de94b16 [1,0,0,0,0,0|3,0,0]=4 234 B12R1.477 CCC(=O)OCNc1ccsc1 48ee137d296cb74a8873fd1200982c5d [1,0,0,0,0,0|3,0,0]=4 235 B12R1.477 CCC(=O)OCNc1cnoc1 8d91abc73bceb4a2003c10796cc7138d [1,0,0,0,0,0|3,0,0]=4 236 B12R1.477 CCC(=O)OCOc1c[nH]cn1 70411d9f534680a83f1485c50d49b2de [1,0,0,0,0,0|2,0,1]=4 237 B12R1.477 CCC(=O)OCOc1ccco1 3def9ac8a660063bb39db21da77cdd03 [1,0,0,0,0,0|2,1,0]=4 238 B12R1.477 CCC(=O)OCOc1cccs1 3448581a546aebfa49a4e73797b52cea [1,0,0,0,0,0|2,0,0]=3 239 B12R1.477 CCC(=O)OCOc1ccn[nH]1 0f17ba5fcad4a8ff3a53495c8a17377a [1,0,0,0,0,0|3,0,0]=4 240 B12R1.477 CCC(=O)OCOc1ccsc1 597ef118c6b3b7b3c1262ec1b76623b9 [1,0,0,0,0,0|3,0,0]=4 241 B12R1.477 CCC(=O)OCOc1cn[nH]c1 062fa6998727da5a6df0ac4877241072 [1,0,0,0,0,0|3,0,0]=4 242 B12R1.477 CCC(=O)OCOc1cnoc1 d5a46a7854dbe836b44780c1bfdfd352 [1,0,0,0,0,0|3,0,0]=4 243 B12R1.477 CCC(=O)OCOc1cnsn1 4c9c4e5723a3b1ebc501b2f23159452f [1,0,0,0,0,0|3,0,0]=4 244 B12R1.477 CCC(=O)OCOc1nccs1 3bf5e2de3bf64df13b48582d86f573a4 [1,0,0,0,0,0|3,0,0]=4 245 B12R1.477 CCC(=O)OCOc1nncs1 1dc05c1479f3d010e9aad6a62a50609c [1,0,0,0,0,0|2,0,0]=3 246 B12R1.477 CCC(=O)OCOn1ccnc1 1fe3ecdce0a696d65f4fd7f9e696deb1 [1,0,0,0,0,0|3,0,0]=4 247 B12R1.477 CCC(C)OCCc1cccs1 6a8a2b912c748ca0ed06755274f57c59 [1,0,0,0,0,0|2,0,1]=4 248 B12R1.477 CCS(=O)CCNc1cncs1 b0fdd9306d9f6af93d69b882e4666614 [1,0,0,0,0,0|3,0,0]=4 249 B12R1.477 CC[C@@H](C)OCCc1cccs1 87020da919b351367cdfe52b29b06694 [1,0,0,0,0,0|2,0,1]=4 250 B12R1.477 CC[C@H](C)OCCc1cccs1 81d45653d7692301cc4f1b8e4750f325 [1,0,0,0,0,0|2,0,1]=4 251 B12R1.477 CNC(=O)CCNc1cncs1 3a10f2a1738447359061fe5e002fc19f [1,0,0,0,0,0|3,0,0]=4 252 B12R1.477 CNC(=O)CNCc1cncs1 78b470aa7bda58b9a659b74f7f2702fc [1,0,0,0,0,0|3,0,0]=4 253 B12R1.477 COC(=O)CCNc1cncs1 c85b5a86061163ba5371fe79f49906d4 [1,0,0,0,0,0|3,0,0]=4 254 B12R1.477 COC(=O)CNCc1cncs1 290a7cbdf9ec265030f4a2a4a5b8216c [1,0,0,0,0,0|3,0,0]=4 255 B12R1.477 COC(=O)COCc1cncs1 0d694ad3cb759a6e9156e1fd7aa86bf7 [1,0,0,0,0,0|3,0,0]=4 256 B12R1.477 O=C(CF)NCCc1cccs1 8ad0a550d473de8f84056b481bfae7f4 [1,0,0,0,0,0|3,0,0]=4 257 B12R1.477 O=C(CF)NCCc1nncs1 d9a11dcb094f8e581ca951e3723ef615 [1,0,0,0,0,0|3,0,0]=4 258 B12R1.477 O=C(CO)CNCc1cncs1 f91e65168ff5e67a9c4a50ed986fc2c4 [1,0,0,0,0,0|3,0,0]=4 259 B12R1.477 O=C(CO)NCCc1cccs1 9f2e0da32d88862d93c942c60f2d338a [1,0,0,0,0,0|3,0,0]=4 260 B12R1.477 O=C(CO)NCCc1nncs1 c3e93abcc533500d9c9539225d32a651 [1,0,0,0,0,0|3,0,0]=4 261 B12R1.477 O=C(CS)NCCc1cccs1 727fb833bd1797230419b932f1b67fc0 [1,0,0,0,0,0|3,0,0]=4 262 B12R1.477 O=C(CS)NCCc1nncs1 0f3630fa81039424c138ee0b1e8190db [1,0,0,0,0,0|3,0,0]=4 263 B14R1.109 CCC(=O)CNCc1sccc1OC a6f2ce1ef9db26dfeb3b71d0ff592239 [0,1,0,0,0,0|3,0,0]=4 264 B14R1.109 CCC(=O)NCCc1ccnn1CC f6b6e6a2fa1836244e8399025e4b139e [0,1,0,0,0,0|3,0,0]=4 265 B14R1.109 CCC(=O)NCCn1ccnc1CC 2bae6c656e0e814590839581a1f8fe34 [0,1,0,0,0,0|3,0,0]=4 266 B14R1.109 CCC(=O)OCNc1c[nH]nc1CC a5af66050c365d1403f950065a9c436e [0,1,0,0,0,0|3,0,0]=4 267 B14R1.109 CCC(=O)OCNc1ncnn1CC a4e18c80172091ef1f2eb6787bae4679 [0,1,0,0,0,0|3,0,0]=4 268 B14R1.109 CCC(=O)OCOc1ccnn1CC 8b7fba1e558739349af567c4861f0459 [0,1,0,0,0,0|3,0,0]=4 269 B14R1.109 CNC(=O)CCNc1scnc1CO 28aaf9470567ac2a9d1447fe25763c8b [0,1,0,0,0,0|3,0,0]=4 270 B14R1.109 COC(=O)CCNc1scnc1CO edd06677a5bc50b57942ff0a77f9b545 [0,1,0,0,0,0|3,0,0]=4 271 B14R1.239 C=C(Br)C(=O)NCCc1scnc1C 238253e5addb06cc9a3544e7b2117eec [0,1,0,0,0,0|1,0,2]=4 272 B14R1.239 C=C(C)C(=O)NCCc1sccc1C 4ed82caf8c20db2d9df2e79408746266 [0,1,0,0,0,0|2,0,1]=4 273 B14R1.239 C=C(C)C(=O)NCCc1scnc1C 67a4dd114f6baa34913d7bb10d2ddf37 [0,1,0,0,0,0|1,0,1]=3 274 B14R1.239 C=C(Cl)C(=O)NCCc1scnc1C 2230dabd05f485be2e2203c16a8464cc [0,1,0,0,0,0|1,0,2]=4 275 B14R1.239 C=C(F)C(=O)NCCc1scnc1C 722a485db41af95f252ef5242374d154 [0,1,0,0,0,0|1,0,2]=4 276 B14R1.239 CC(=O)C(=O)CNCc1scnc1C 47209cdf31c4d6b0b2847bf59b4df4ea [0,1,0,0,0,0|2,0,1]=4 277 B14R1.239 CC(=O)C(=O)COCc1scnc1C f8f93429357b8563bd0e89aac974ec68 [0,1,0,0,0,0|2,0,1]=4 278 B14R1.239 CC(=O)C(=O)NCCc1sccc1C 73ef9c943293c360e7e7c27cd30df67e [0,1,0,0,0,0|2,0,1]=4 279 B14R1.239 CC(=O)C(=O)NCCc1scnc1C b4eee6a84f8bc39715ac89a236a86bcc [0,1,0,0,0,0|1,0,1]=3 280 B14R1.239 CC(=O)C(C)OCCc1scnc1C 8df678f9148f8f23cdd24e8645ad7af1 [0,1,0,0,0,0|1,0,2]=4 281 B14R1.239 CC(C)C(=O)CNCc1scnc1Br ba15d61a3e5586a4c6e5bc5ae1016dcc [0,1,0,0,0,0|3,0,0]=4 282 B14R1.239 CC(C)C(=O)COCc1scnc1Br 3ed310f6d8aef6029c826d581037037e [0,1,0,0,0,0|3,0,0]=4 283 B14R1.239 CC(C)C(=O)COCc1scnc1Cl 3d6b0e41d93bb3eb12cbf2b02835cf0e [0,1,0,0,0,0|3,0,0]=4 284 B14R1.239 CC(C)C(=O)OCNc1ccnn1C c4ebf5a9cec8fcfcf6fbbbc433887413 [0,1,0,0,0,0|3,0,0]=4 285 B14R1.239 CC(C)C(=O)OCNc1ncnn1C e20ef95a879638b7e97ed2c54601c82f [0,1,0,0,0,0|3,0,0]=4 286 B14R1.239 CC(C)C(=O)OCOc1ccnn1C 3defadd5390278b28decfcbcd794bf40 [0,1,0,0,0,0|3,0,0]=4 287 B14R1.239 CC(F)C(=O)NCCc1ccnn1C 4270a7bdb512ae925b80e22525129de2 [0,1,0,0,0,0|3,0,0]=4 288 B14R1.239 CC(O)C(=O)NCCc1ccnn1C aace5c61e556a01810bf9469c2cb9ff2 [0,1,0,0,0,0|3,0,0]=4 289 B14R1.239 CC(S)C(=O)NCCc1ccnn1C 8aca9d1723383bceaa852b34c977f335 [0,1,0,0,0,0|3,0,0]=4 290 B14R1.239 C[C@@H](F)C(=O)NCCc1ccnn1C a6c7c3f3fb243ea5692db5369db0a5c3 [0,1,0,0,0,0|3,0,0]=4 291 B14R1.239 C[C@@H](O)C(=O)NCCc1ccnn1C a50896d8f4f8b0fde12329ab18c538f2 [0,1,0,0,0,0|3,0,0]=4 292 B14R1.239 C[C@H](F)C(=O)NCCc1ccnn1C ddc6174064061e61e692c8c817d85390 [0,1,0,0,0,0|3,0,0]=4 293 B14R1.239 C[C@H](O)C(=O)NCCc1ccnn1C ae520a22700b75cc6871561a209c253f [0,1,0,0,0,0|3,0,0]=4 294 B14R1.239 Cc1ccsc1CCNC(=O)C(C)F 20a51adeee7a389719fc5cbc001c01ea [0,1,0,0,0,0|2,0,0]=3 295 B14R1.239 Cc1ccsc1CCNC(=O)C(C)O a0b639926cea05da3ff7adbf4754cb29 [0,1,0,0,0,0|2,0,0]=3 296 B14R1.239 Cc1ccsc1CCNC(=O)C(C)S 32548f331bfc2d094dcc333fc22ad6fa [0,1,0,0,0,0|2,0,0]=3 297 B14R1.239 Cc1ccsc1CCNC(=O)C(F)F 7481ed30ec80c396e976a3bc8c5f18ae [0,1,0,0,0,0|3,0,0]=4 298 B14R1.239 Cc1ccsc1CCNC(=O)C(O)O 2947710d3d15c8b4272a060eeb2894f3 [0,1,0,0,0,0|3,0,0]=4 299 B14R1.239 Cc1ccsc1CCNC(=O)[C@@H](C)F 9380684bb8f9780a816ca04cfb00f3a5 [0,1,0,0,0,0|2,0,0]=3 300 B14R1.239 Cc1ccsc1CCNC(=O)[C@@H](C)O 6745fc67b35025f1222ed2f743123690 [0,1,0,0,0,0|2,0,0]=3 301 B14R1.239 Cc1ccsc1CCNC(=O)[C@H](C)F 4764ae27de00d7d1f20f3190b67e25be [0,1,0,0,0,0|2,0,0]=3 302 B14R1.239 Cc1ccsc1CCNC(=O)[C@H](C)O bb12d3584f7b227c9e4bff6fa8906b94 [0,1,0,0,0,0|2,0,0]=3 303 B14R1.239 Cc1ccsc1COCC(=O)C(C)C 985deba20a7ec2b627faefc606e99433 [0,1,0,0,0,0|3,0,0]=4 304 B14R1.239 Cc1n[nH]cc1NCOC(=O)C(C)C 4f6635b9a56a4d8553e5436b05aa886a [0,1,0,0,0,0|3,0,0]=4 305 B14R1.239 Cc1ncoc1COCC(=O)C(C)C 1063ca2eb8e34e57fe9d57ffe3ff0285 [0,1,0,0,0,0|2,1,0]=4 306 B14R1.239 Cc1ncsc1CCNC(=O)C(=O)N b80fa63313cd286c257cbd8ac38bf525 [0,1,0,0,0,0|2,0,1]=4 307 B14R1.239 Cc1ncsc1CCNC(=O)C(C)F 561e8d3c506056d3bf64fef9f3273d55 [0,1,0,0,0,0|1,0,0]=2 308 B14R1.239 Cc1ncsc1CCNC(=O)C(C)O a583422814009b6e0c510a9c56b20ceb [0,1,0,0,0,0|1,0,0]=2 309 B14R1.239 Cc1ncsc1CCNC(=O)C(C)S 39ad36173b81dc45622cdeaf0322e41d [0,1,0,0,0,0|1,0,0]=2 310 B14R1.239 Cc1ncsc1CCNC(=O)C(F)F 40834a2fc50197104e37a08f3a22c521 [0,1,0,0,0,0|2,0,0]=3 311 B14R1.239 Cc1ncsc1CCNC(=O)C(O)O bac01cf30d02772f9bd7879f7937dcd4 [0,1,0,0,0,0|2,0,0]=3 312 B14R1.239 Cc1ncsc1CCNC(=O)[C@@H](C)F bd7194ce4551320e023afbcf95669a31 [0,1,0,0,0,0|1,0,0]=2 313 B14R1.239 Cc1ncsc1CCNC(=O)[C@@H](C)O b2aa48ed13a24560028a3bed9d0814cb [0,1,0,0,0,0|1,0,0]=2 314 B14R1.239 Cc1ncsc1CCNC(=O)[C@H](C)F e408acc94fc69661bd0150d286219323 [0,1,0,0,0,0|1,0,0]=2 315 B14R1.239 Cc1ncsc1CCNC(=O)[C@H](C)O b63da8811153b4f6d90f3c5852630612 [0,1,0,0,0,0|1,0,0]=2 316 B14R1.239 Cc1ncsc1CCNC(C)C(C)C e13d2109464430ecaf1252e42d7dfe7c [0,1,0,0,0,0|2,0,1]=4 317 B14R1.239 Cc1ncsc1CCNC(C)C(C)O 12bfafbfc152ddd143185966beda08dd [0,1,0,0,0,0|2,0,1]=4 318 B14R1.239 Cc1ncsc1CCN[C@@H](C)C(C)C 032453f68a24b55a767e4c00542dc1ef [0,1,0,0,0,0|2,0,1]=4 319 B14R1.239 Cc1ncsc1CCN[C@H](C)C(C)C ba5b0d9edbdd6b6db1ddae17f14fc4f5 [0,1,0,0,0,0|2,0,1]=4 320 B14R1.239 Cc1ncsc1CCOC(C)C(C)C 3ff5a4b1448c61658e2e64155db0a4d3 [0,1,0,0,0,0|1,0,1]=3 321 B14R1.239 Cc1ncsc1CCOC(C)C(C)S 38386517b585ffb859791f65b13f013b [0,1,0,0,0,0|1,0,1]=3 322 B14R1.239 Cc1ncsc1CCOC(C)C(F)F e312da82a0a5f2771f55708a7fcb2773 [0,1,0,0,0,0|2,0,1]=4 323 B14R1.239 Cc1ncsc1CCO[C@@H](C)C(C)C f7d01f1d5db974b0c65be5eafaddd0d5 [0,1,0,0,0,0|1,0,1]=3 324 B14R1.239 Cc1ncsc1CCO[C@H](C)C(C)C d055033b7904d5c554042234d9db974a [0,1,0,0,0,0|1,0,1]=3 325 B14R1.239 Cc1ncsc1CNCC(=O)C(C)C 2e97e569eb9bd7e7da70ea50702fa82f [0,1,0,0,0,0|2,0,0]=3 326 B14R1.239 Cc1ncsc1CNCC(=O)C(F)F ecd5796d840d61e62d62de8dc19b4538 [0,1,0,0,0,0|3,0,0]=4 327 B14R1.239 Cc1ncsc1CNCC(=O)N(C)C db24d0d03c1a849fb226809a5f440f91 [0,1,0,0,0,0|3,0,0]=4 328 B14R1.239 Cc1ncsc1COCC(=O)C(C)C aeffb8d8ba6ed78e2885d80b3d9de3cf [0,1,0,0,0,0|2,0,0]=3 329 B14R1.239 Cc1ncsc1COCC(=O)N(C)C 42451815c0a092e422d2a2b14015a0ae [0,1,0,0,0,0|3,0,0]=4 330 B14R1.239 Cc1ncsc1NCCC(=O)N(C)C 131ca64e01316d79dd8803f62c23bcdd [0,1,0,0,0,0|3,0,0]=4 331 B14R1.239 Cc1ncsc1NCOC(=O)C(C)C d1fb5b196e319a6bcdd931df6f80ec38 [0,1,0,0,0,0|1,0,0]=2 332 B14R1.239 Cc1nnsc1CNCC(=O)C(C)C da4339d8747faf6302ff23d1b530d1a2 [0,1,0,0,0,0|3,0,0]=4 333 B14R1.239 Cc1nnsc1COCC(=O)C(C)C 5a4c32b936d7299409a09417164b0ecf [0,1,0,0,0,0|3,0,0]=4 334 B14R1.239 Cc1nocc1NCOC(=O)C(C)C 14159ff727841e646297592ef7e6aa9d [0,1,0,0,0,0|3,0,0]=4 335 B14R1.239 Cc1nonc1NCOC(=O)C(C)C 6724769469ad953c6f36b5b08831d6a0 [0,1,0,0,0,0|3,0,0]=4 336 B14R1.239 Cc1nscc1NCOC(=O)C(C)C d7e52e2b5fef1695491aad963d796e84 [0,1,0,0,0,0|3,0,0]=4 337 B14R1.239 Cc1sccc1NCOC(=O)C(C)C 1a7ab3853310eeffd5d088592e708de0 [0,1,0,0,0,0|3,0,0]=4 338 B14R1.596 C=C(CC)CN(C)Cc1scnc1C 081bab69205e0a7ed3ed87c19649af07 [0,1,0,0,0,0|3,0,0]=4 339 B14R1.596 CCC(=O)CN(C)Cc1scnc1C 279caf390f33c57db3d6125902caed83 [0,1,0,0,0,0|2,0,0]=3 340 B14R1.596 CCC(=O)CN(C)Cc1snnc1C 060b2d267aeb64a159ee753c06a6882d [0,1,0,0,0,0|3,0,0]=4 341 B14R1.596 CCC(=O)NC(C)Cc1ccnn1C 51314efcbaa1f5b2cf2ad6909d37ce35 [0,1,0,0,0,0|3,0,0]=4 342 B14R1.596 CNC(=O)CN(C)Cc1scnc1C 46b397e5ad31b614ad7181a3f669ddad [0,1,0,0,0,0|3,0,0]=4 343 B14R1.596 COC(=O)CC(C)Nc1scnc1C aa185e0b1a8f5e5a11c51af610df030a [0,1,0,0,0,0|3,0,0]=4 344 B14R1.596 COC(=O)CN(C)Cc1scnc1C 2cc9fb4bbbf2d67e5a55a64645ee2496 [0,1,0,0,0,0|3,0,0]=4 345 B14R1.596 COC(=O)C[C@H](C)Nc1scnc1C 894b9bd8f43cb58e586bbeddd3509063 [0,1,0,0,0,0|3,0,0]=4 346 B14R1.596 COC(=O)OC(C)Nc1scnc1C 48e07aa30e6314b2c4a2b79176a13b41 [0,1,0,0,0,0|2,0,0]=3 347 B14R1.596 Cc1ncsc1CN(C)CC(=O)CO fd95645b5819982c894d383885286c01 [0,1,0,0,0,0|3,0,0]=4 348 B14R1.948 C#CCC(=O)NCCc1sccc1C ae925cd78ed15fdfaca033e06a78c964 [0,1,0,0,0,0|2,0,1]=4 349 B14R1.948 C#CCC(=O)NCCc1scnc1C d2f64fca49998aac9616dd2febff776b [0,1,0,0,0,0|1,0,1]=3 350 B14R1.948 C/C=C/C(=O)NCCc1sccc1C 325c7858dc7fb508aafcbb0ad41075ee [0,1,0,0,0,0|2,0,1]=4 351 B14R1.948 C/C=C/C(=O)NCCc1scnc1C 4e89f9e26257cc583bb44ef4fe9cda31 [0,1,0,0,0,0|1,0,1]=3 352 B14R1.948 C/C=C/C(C)OCCc1scnc1C 9c7ae1e654f3ae371df6951ca74a184d [0,1,0,0,0,0|1,0,2]=4 353 B14R1.948 C=CCC(=O)NCCc1sccc1C a8cee08b7813fe8384b62472e67c8db0 [0,1,0,0,0,0|2,0,1]=4 354 B14R1.948 C=CCC(=O)NCCc1scnc1C 405436b9c436088c0ab37c9350bc6822 [0,1,0,0,0,0|1,0,1]=3 355 B14R1.948 C=CCC(C)OCCc1scnc1C 93f29f8c8944b2644a13671703e826fa [0,1,0,0,0,0|1,0,2]=4 356 B14R1.948 C=CC[C@@H](C)OCCc1scnc1C 6e69c741e1de9c46a48844cce0778699 [0,1,0,0,0,0|1,0,2]=4 357 B14R1.948 C=CC[C@H](C)OCCc1scnc1C fbecf6e0f5100fbcad8106cf6d5ee46f [0,1,0,0,0,0|1,0,2]=4 358 B14R1.948 CC#CC(=O)NCCc1sccc1C 4da25be822be14b291cd254a2c194deb [0,1,0,0,0,0|2,0,1]=4 359 B14R1.948 CC#CC(=O)NCCc1scnc1C 5b3995dff13dad6f3bde51b0042f4c6c [0,1,0,0,0,0|1,0,1]=3 360 B14R1.948 CC#CC(C)OCCc1scnc1C 3f4a915b5c856514ef5ce987e1c7f0f6 [0,1,0,0,0,0|1,0,2]=4 361 B14R1.948 CC=CC(C)OCCc1scnc1C 7145ad925bb1f81bc56e215b1d8f1bfb [0,1,0,0,0,0|1,0,2]=4 362 B14R1.948 CCCC(=O)CNCc1scnc1Br 4edf93a2633a06605072fa11264b63fb [0,1,0,0,0,0|3,0,0]=4 363 B14R1.948 CCCC(=O)CNCc1scnc1C 52d2a54fe4a7ebd714bb123f01472fb6 [0,1,0,0,0,0|2,0,0]=3 364 B14R1.948 CCCC(=O)CNCc1snnc1C e9714a55f1a7c1b76bde3df669cc7a29 [0,1,0,0,0,0|3,0,0]=4 365 B14R1.948 CCCC(=O)COCc1ocnc1C 81c40235ca0434e78fea8c1290bb73a4 [0,1,0,0,0,0|2,1,0]=4 366 B14R1.948 CCCC(=O)COCc1sccc1C 8449cdb9858032dd7fcd32f59dbda55a [0,1,0,0,0,0|3,0,0]=4 367 B14R1.948 CCCC(=O)COCc1scnc1Br 3e83eddaf8d80cd864aa837e8e52c973 [0,1,0,0,0,0|3,0,0]=4 368 B14R1.948 CCCC(=O)COCc1scnc1C dbdac9773377765e7faa0af48395d53b [0,1,0,0,0,0|2,0,0]=3 369 B14R1.948 CCCC(=O)COCc1scnc1Cl 70f0d17870e899b5843ac7609bcc5583 [0,1,0,0,0,0|3,0,0]=4 370 B14R1.948 CCCC(=O)COCc1snnc1C 4be4195239d0ae10ae601caeac97e001 [0,1,0,0,0,0|3,0,0]=4 371 B14R1.948 CCCC(=O)NCCc1ccnn1C 440604586516b26849e33cff0f550590 [0,1,0,0,0,0|3,0,0]=4 372 B14R1.948 CCCC(=O)NCCc1sccc1C 888264a506717a95f3b7c1893e034850 [0,1,0,0,0,0|2,0,0]=3 373 B14R1.948 CCCC(=O)NCCc1scnc1C 409f960743dfaf22dfff7f9da1d4e575 [0,1,0,0,0,0|1,0,0]=2 374 B14R1.948 CCCC(=O)OCNc1c[nH]nc1C aeae4b1c088150d221bc786c70d35c69 [0,1,0,0,0,0|3,0,0]=4 375 B14R1.948 CCCC(=O)OCOc1ccnn1C a4cb0cb64b17c94969a2e212beefce0f [0,1,0,0,0,0|3,0,0]=4 376 B14R1.948 CCCC(=S)OCCc1scnc1C da2c5809d225cb706787d7b812fd8afe [0,1,0,0,0,0|0,1,0]=2 377 B14R1.948 CCNC(=O)CCNc1scnc1C f3f618d64d11f3e7560ff0c1684de9cd [0,1,0,0,0,0|2,0,0]=3 378 B14R1.948 CCNC(=O)CNCc1scnc1Br e2cb595386174b7c45787eeec97884a2 [0,1,0,0,0,0|3,0,0]=4 379 B14R1.948 CCNC(=O)CNCc1scnc1C e70642dd2144eaac7ffb0b74190cac7c [0,1,0,0,0,0|2,0,0]=3 380 B14R1.948 CCNC(=O)CNCc1scnc1Cl 07cd63c57e937881a3682a8810135c31 [0,1,0,0,0,0|3,0,0]=4 381 B14R1.948 CCNC(=O)CNCc1snnc1C 6903f0f36b44d01e1efacc07354f8692 [0,1,0,0,0,0|3,0,0]=4 382 B14R1.948 CCNC(=O)COCc1ocnc1C 6339827ad3b01ed89c96228a4ec69165 [0,1,0,0,0,0|2,1,0]=4 383 B14R1.948 CCNC(=O)COCc1sccc1C fb7a3500b003535deba3f29ed1a20e9a [0,1,0,0,0,0|3,0,0]=4 384 B14R1.948 CCNC(=O)COCc1scnc1Br 3e3660400ec9ba4288bc4fae58dd51c6 [0,1,0,0,0,0|3,0,0]=4 385 B14R1.948 CCNC(=O)COCc1scnc1C ff69a1191e9f8492862b25fcc20d4633 [0,1,0,0,0,0|2,0,0]=3 386 B14R1.948 CCNC(=O)COCc1scnc1Cl 4de70025e969de88fb695615adff3813 [0,1,0,0,0,0|3,0,0]=4 387 B14R1.948 CCNC(=O)COCc1snnc1C 983f420ea71193738b6ba31fc68b983e [0,1,0,0,0,0|3,0,0]=4 388 B14R1.948 CCOC(=O)CCNc1scnc1C 5ef4de21565ee40282131e912b18cee3 [0,1,0,0,0,0|2,0,0]=3 389 B14R1.948 CCOC(=O)CNCc1scnc1Br 05b8bd5977d2ecfd2680c9bbc6becf48 [0,1,0,0,0,0|3,0,0]=4 390 B14R1.948 CCOC(=O)CNCc1scnc1C f4e0a7d15f189cdcc6e3e75914d85e61 [0,1,0,0,0,0|2,0,0]=3 391 B14R1.948 CCOC(=O)CNCc1scnc1Cl 6a4244dc8a07d5e137f3dbccc7379cfd [0,1,0,0,0,0|3,0,0]=4 392 B14R1.948 CCOC(=O)CNCc1snnc1C a1181f7a4f8de8264c04fbc0780eaf8f [0,1,0,0,0,0|3,0,0]=4 393 B14R1.948 CCOC(=O)COCc1ocnc1C 77219ec785dc192e7edf2a6277a848d5 [0,1,0,0,0,0|2,1,0]=4 394 B14R1.948 CCOC(=O)COCc1sccc1C 28cab4714f31bb04ba523019c3a649b3 [0,1,0,0,0,0|3,0,0]=4 395 B14R1.948 CCOC(=O)COCc1scnc1Br f02022cbf2f427f584265621fa852256 [0,1,0,0,0,0|3,0,0]=4 396 B14R1.948 CCOC(=O)COCc1scnc1C d73fbec9369b253315fd022240ab42bd [0,1,0,0,0,0|2,0,0]=3 397 B14R1.948 CCOC(=O)COCc1scnc1Cl 052f1deea0b46450634a375aa0402609 [0,1,0,0,0,0|3,0,0]=4 398 B14R1.948 CCOC(=O)COCc1snnc1C ce1082043206782018d9b9a0536cf6ad [0,1,0,0,0,0|3,0,0]=4 399 B14R1.948 CCOC(=O)OCNc1c[nH]nc1C 28330b83820fd196524edc9589a1901a [0,1,0,0,0,0|3,0,0]=4 400 B14R1.948 CCOC(=O)OCNc1ccnn1C 2bd11be1cb96a09938b8d6725ec3a2a5 [0,1,0,0,0,0|3,0,0]=4 401 B14R1.948 CCOC(=O)OCNc1scnc1C 96cda2dd2ae0dd06f40fa718ad7dce40 [0,1,0,0,0,0|1,0,0]=2 402 B14R1.948 CCOC(=O)OCOc1ccnn1C a4a62ac7e09a4deed049a553873258b2 [0,1,0,0,0,0|3,0,0]=4 403 B14R1.948 CCSC(=O)OCNc1c[nH]nc1C c391cf0e0ebc8ca1d973f2abedc19799 [0,1,0,0,0,0|3,0,0]=4 404 B14R1.948 CCSC(=O)OCNc1ccnn1C 381daae1eef6e1aab0f55ee69dbebcfe [0,1,0,0,0,0|3,0,0]=4 405 B14R1.948 CCSC(=O)OCNc1csnc1C 6c11a08e30a5da3b88641e8d3fd20170 [0,1,0,0,0,0|3,0,0]=4 406 B14R1.948 CCSC(=O)OCNc1ncnn1C b005339c87142624e62114ba7190f116 [0,1,0,0,0,0|3,0,0]=4 407 B14R1.948 CCSC(=O)OCNc1scnc1C d110c383179eacd1c9b064c5c513a6b5 [0,1,0,0,0,0|1,0,0]=2 408 B14R1.948 CCSC(=O)OCOc1ccnn1C 40fb78f61be6bfdd42a0e3b643a8ecba [0,1,0,0,0,0|3,0,0]=4 409 B14R1.948 COCC(=O)COCc1ocnc1C 852dd76ebc1a25529f2d9388943de520 [0,1,0,0,0,0|2,1,0]=4 410 B14R1.948 COCC(=O)NCCc1ccnn1C 33e1208feaf74389bacd9aeb7ab6ad1e [0,1,0,0,0,0|3,0,0]=4 411 B14R1.948 COCC(=O)NCCc1sccc1C 8f21906616d25100ad67a7bb291ea2a4 [0,1,0,0,0,0|2,0,0]=3 412 B14R1.948 COCC(=O)NCCc1scnc1C fde898e88b17e0a6c858d25daca4e0a7 [0,1,0,0,0,0|1,0,0]=2 413 B14R1.948 COCC(C)NCCc1scnc1C c3a56e4175e55bcd811a1b1d713abe1e [0,1,0,0,0,0|2,0,1]=4 414 B14R1.948 COCC(C)OCCc1scnc1C 98d9ad730e557e8ce79a363dacc74d78 [0,1,0,0,0,0|1,0,1]=3 415 B14R1.948 COC[C@@H](C)NCCc1scnc1C ed4f1a379884787013b2e8aa5565be5d [0,1,0,0,0,0|2,0,1]=4 416 B14R1.948 COC[C@@H](C)OCCc1scnc1C 5eb09c21e6359a094d3e31b8e6db1272 [0,1,0,0,0,0|1,0,1]=3 417 B14R1.948 COC[C@H](C)NCCc1scnc1C 6c33933f965f4ee55d38ca9d055282ce [0,1,0,0,0,0|2,0,1]=4 418 B14R1.948 COC[C@H](C)OCCc1scnc1C 9d3db78eb1e3abcc570a5e37891e7ae0 [0,1,0,0,0,0|1,0,1]=3 419 B14R1.948 CSCC(=O)NCCc1ccnn1C 4839201eb0fd63ad91b92ebda848b062 [0,1,0,0,0,0|3,0,0]=4 420 B14R1.948 CSCC(=O)NCCc1sccc1C 495938b77f458a2fad4e7f0fc93ae291 [0,1,0,0,0,0|2,0,0]=3 421 B14R1.948 CSCC(=O)NCCc1scnc1C e20935266367b84f062303bd3cb8277d [0,1,0,0,0,0|1,0,0]=2 422 B14R1.948 CSCC(C)OCCc1scnc1C 38500157b84ac65f547742000d08c698 [0,1,0,0,0,0|1,0,1]=3 423 B14R1.948 Cc1ccsc1CCNC(=O)CC#N b618faecfd6684696ee91dc37f16d154 [0,1,0,0,0,0|2,0,1]=4 424 B14R1.948 Cc1ccsc1CCNC(=O)CC=O 08288ce84ed2ccced7e7184b8bdc8f85 [0,1,0,0,0,0|2,0,1]=4 425 B14R1.948 Cc1ccsc1CCNC(=O)CCF 0a9a04532d3d01ebcc21535020b72077 [0,1,0,0,0,0|2,0,0]=3 426 B14R1.948 Cc1ccsc1CCNC(=O)CCO 4d6ffb5b000081718d3cab5ac815c4e4 [0,1,0,0,0,0|2,0,0]=3 427 B14R1.948 Cc1ccsc1CCNC(=O)CCS cde9e8b40e4d5d922252b76b5a524d2d [0,1,0,0,0,0|2,0,0]=3 428 B14R1.948 Cc1ccsc1CCNC(=O)CON 1e0a7e52fea69af57a82942f8993c94b [0,1,0,0,0,0|3,0,0]=4 429 B14R1.948 Cc1ncsc1CCNC(=O)/C=C/Br c7317ed83286f6b19b27fc312e45aa95 [0,1,0,0,0,0|1,0,2]=4 430 B14R1.948 Cc1ncsc1CCNC(=O)/C=C/Cl 7b17ebb06f0110756fddced114fd4d1f [0,1,0,0,0,0|1,0,2]=4 431 B14R1.948 Cc1ncsc1CCNC(=O)/C=C/I c2097796b7c20c27cceaa1a6a9cb056a [0,1,0,0,0,0|1,0,2]=4 432 B14R1.948 Cc1ncsc1CCNC(=O)/C=C\Br f0370c2bfffdfaffa9913d26d231adbb [0,1,0,0,0,0|1,0,2]=4 433 B14R1.948 Cc1ncsc1CCNC(=O)/C=C\Cl bb8d35deb8afe3f8679d7bc7649cadb2 [0,1,0,0,0,0|1,0,2]=4 434 B14R1.948 Cc1ncsc1CCNC(=O)/C=C\I 47dcac82cfd243a1d4d8625aed0f76b8 [0,1,0,0,0,0|1,0,2]=4 435 B14R1.948 Cc1ncsc1CCNC(=O)C#CBr 91c6bc4d9646d15dd9b4589f3ca6f56c [0,1,0,0,0,0|1,0,2]=4 436 B14R1.948 Cc1ncsc1CCNC(=O)C=CBr c8a7d8f48e6c975940537090d5e0529d [0,1,0,0,0,0|1,0,2]=4 437 B14R1.948 Cc1ncsc1CCNC(=O)C=CI dcf01af19d96ab133d5a393fdb5478dd [0,1,0,0,0,0|1,0,2]=4 438 B14R1.948 Cc1ncsc1CCNC(=O)CC#N e9fe54328681e8b3c1cb87b04ffeaaaa [0,1,0,0,0,0|1,0,1]=3 439 B14R1.948 Cc1ncsc1CCNC(=O)CC=O 69ca85e75b62e34f90db6533f1a86c99 [0,1,0,0,0,0|1,0,1]=3 440 B14R1.948 Cc1ncsc1CCNC(=O)CCF ef829070e9812ae2e39660f100efd07c [0,1,0,0,0,0|1,0,0]=2 441 B14R1.948 Cc1ncsc1CCNC(=O)CCO 3b999f37ede6d6e4be12c621f27624d9 [0,1,0,0,0,0|1,0,0]=2 442 B14R1.948 Cc1ncsc1CCNC(=O)CCS e337c7d32a9c506deb4024d3475a3278 [0,1,0,0,0,0|1,0,0]=2 443 B14R1.948 Cc1ncsc1CCNC(=O)CON 0a26ede278b98edbfe71bed15f2d69d6 [0,1,0,0,0,0|2,0,0]=3 444 B14R1.948 Cc1ncsc1CCNC(C)CCO ae9b6270e13985382420ee0db6f4316b [0,1,0,0,0,0|2,0,1]=4 445 B14R1.948 Cc1ncsc1CCN[C@@H](C)CCO d17c5f2166641c87970339800aad7c94 [0,1,0,0,0,0|2,0,1]=4 446 B14R1.948 Cc1ncsc1CCN[C@H](C)CCO 2bd153e32d8fd87e53ae242dae0a4e5e [0,1,0,0,0,0|2,0,1]=4 447 B14R1.948 Cc1ncsc1CCOC(C)CC#N 321aee8213fed4d0f7825cb50b9ec017 [0,1,0,0,0,0|1,0,2]=4 448 B14R1.948 Cc1ncsc1CCO[C@@H](C)CC#N 5c70d09bf59dbdfdff3232a6e1c36f39 [0,1,0,0,0,0|1,0,2]=4 449 B14R1.948 Cc1ncsc1CCO[C@H](C)CC#N 0fb444def7fe876bfbbe1fcecfcec935 [0,1,0,0,0,0|1,0,2]=4 450 B14R1.948 Cc1ncsc1CNCC(=O)NCO c9669ae726c7110653d56d0655d944be [0,1,0,0,0,0|3,0,0]=4 451 B14R1.948 Cn1nccc1CCNC(=O)CCF 39e5a2a71005765d68b0a9e59f52299d [0,1,0,0,0,0|3,0,0]=4 452 B14R1.948 Cn1nccc1CCNC(=O)CCO d7c2b7080df53957fb3de8c4e8088dee [0,1,0,0,0,0|3,0,0]=4 453 B14R1.948 Cn1nccc1CCNC(=O)CCS f7f7e5cd82fed28ed5308f1e250324c1 [0,1,0,0,0,0|3,0,0]=4 454 B14R1.987 C=C(CC)C(=O)NCc1scnc1C 39aef1bcd632440b4d5174cf42119382 [0,1,0,0,0,0|3,0,0]=4 455 B14R1.987 C=C(CNc1scnc1C)C(=O)OC 60582b0a940562c68cd1e30b22771b23 [0,1,0,0,0,0|3,0,0]=4 456 B14R1.987 CCC(=O)C(=O)NCc1scnc1C 3594d690788465cc8b44b79e2c67ee84 [0,1,0,0,0,0|2,0,0]=3 457 B14R1.987 CCC(=O)C(=O)NCc1snnc1C 6985d2b58e668fd2b9b35e33313698d6 [0,1,0,0,0,0|3,0,0]=4 458 B14R1.987 CCC(=O)C(C)NCc1scnc1Br e7d41427acd19bd3d8c74f632563e287 [0,1,0,0,0,0|3,0,0]=4 459 B14R1.987 CCC(=O)C(C)NCc1scnc1C ef749b77726cfd5e99119027cb5b05d3 [0,1,0,0,0,0|2,0,0]=3 460 B14R1.987 CCC(=O)C(C)NCc1snnc1C f7ed6b36b29d4aff1635af76bb7bbf9d [0,1,0,0,0,0|3,0,0]=4 461 B14R1.987 CCC(=O)C(C)OCc1ocnc1C d8f7d5989c06be868c59a7d896d5a2d9 [0,1,0,0,0,0|2,1,0]=4 462 B14R1.987 CCC(=O)C(C)OCc1scnc1Br c78d9c8ebb8bc32e7ee2514da44f41fb [0,1,0,0,0,0|3,0,0]=4 463 B14R1.987 CCC(=O)C(C)OCc1scnc1C c33f828743eff474119f3c080712e363 [0,1,0,0,0,0|2,0,0]=3 464 B14R1.987 CCC(=O)C(C)OCc1scnc1Cl 92f7944d09614d663de4d4af728a1137 [0,1,0,0,0,0|3,0,0]=4 465 B14R1.987 CCC(=O)C(C)OCc1snnc1C 7d667cffe867e178448cdfb8f6c56b57 [0,1,0,0,0,0|3,0,0]=4 466 B14R1.987 CCN(C)C(=O)CCc1scnc1C 8ea9264fbb623eb8081e13547e1e7138 [0,1,0,0,0,0|3,0,0]=4 467 B14R1.987 CNC(=O)C(=O)NCc1scnc1C 75ac073e3ef3517b497ef48b22881c91 [0,1,0,0,0,0|3,0,0]=4 468 B14R1.987 CNC(=O)C(C)NCc1scnc1C ae0743411244fcac063af2d272438066 [0,1,0,0,0,0|3,0,0]=4 469 B14R1.987 COC(=O)C(=O)CNc1scnc1C 0a35739b7b0d386d461c8a5a2b4614a4 [0,1,0,0,0,0|3,0,0]=4 470 B14R1.987 COC(=O)C(=O)NCc1scnc1C a340d278fd5d818ba58054dbbdcae5b8 [0,1,0,0,0,0|3,0,0]=4 471 B14R1.987 COC(=O)C(C)CNc1scnc1C 5bd962d8eb631b1dc60934dc9d03fd34 [0,1,0,0,0,0|3,0,0]=4 472 B14R1.987 COC(=O)C(C)NCc1scnc1C cd48c3a8ce4f35854883257871156027 [0,1,0,0,0,0|3,0,0]=4 473 B14R1.987 COC(=O)[C@@H](C)CNc1scnc1C e0c61f4660dadb6e06140dec895a6a42 [0,1,0,0,0,0|3,0,0]=4 474 B14R1.987 COC(=O)[C@@H](C)NCc1scnc1C 0adcb73161c25e27747bbf0de5371871 [0,1,0,0,0,0|3,0,0]=4 475 B14R1.987 COC(=O)[C@H](C)CNc1scnc1C 5ba3607c9f815bd8804250ca05ec1928 [0,1,0,0,0,0|3,0,0]=4 476 B14R1.987 COC(=O)[C@H](C)NCc1scnc1C 591da6ee49b32d976088ea3bb1a27f6b [0,1,0,0,0,0|3,0,0]=4 477 B14R1.987 Cc1ncsc1CNC(=O)C(=O)CS 71fe0466bebb3b148635de80ba0581f3 [0,1,0,0,0,0|3,0,0]=4 478 B14R1.2971 C#CC(=O)NCCc1sc(nc1C)C d05612916237d78c6ad1cbf9d38cf13b [0,1,0,0,0,0|1,0,2]=4 479 B14R1.2971 C=C(CC)CNCc1sc(nc1C)Br 93afef9231513ff30dea0f79dc54e2bf [0,1,0,0,0,0|3,0,0]=4 480 B14R1.2971 C=C(CC)CNCc1sc(nc1C)C b8efee8d9ca07cb1611be65b6d7611e2 [0,1,0,0,0,0|3,0,0]=4 481 B14R1.2971 C=CC(=O)NCCc1sc(nc1C)C 84c75db317fe9099a1a3f9ab2e9fe358 [0,1,0,0,0,0|1,0,2]=4 482 B14R1.2971 CCC(=O)CNCc1oc(nc1C)C b849424a0a756e1f5e9905245b1113d3 [0,1,0,0,0,0|2,1,0]=4 483 B14R1.2971 CCC(=O)CNCc1sc(nc1C)Br 54e7833c1270767d17f8636e72ac1579 [0,1,0,0,0,0|2,0,0]=3 484 B14R1.2971 CCC(=O)CNCc1sc(nc1C)C 3939a56ff6268934422aecfa9b8955ed [0,1,0,0,0,0|2,0,0]=3 485 B14R1.2971 CCC(=O)COCc1oc(nc1C)C e21c3d6e01955bc5dc9aa5c25226d76b [0,1,0,0,0,0|2,1,0]=4 486 B14R1.2971 CCC(=O)COCc1sc(nc1Br)Br 748d4398553a9fc2d44787a1c81791fb [0,1,0,0,0,0|3,0,0]=4 487 B14R1.2971 CCC(=O)COCc1sc(nc1Br)C 00604ad31e8d9888aff9f3262b9d97d7 [0,1,0,0,0,0|3,0,0]=4 488 B14R1.2971 CCC(=O)COCc1sc(nc1C)C 4c56330f61738441e8896aba8c1b7bb9 [0,1,0,0,0,0|2,0,0]=3 489 B14R1.2971 CCC(=O)COCc1sc(nc1Cl)Cl f63c0394f26eadf65d511d913cbe9ea6 [0,1,0,0,0,0|3,0,0]=4 490 B14R1.2971 CCC(=O)NCCc1cc(nn1C)C 23a2d8f75fc9eea0425b9d96d04332e8 [0,1,0,0,0,0|3,0,0]=4 491 B14R1.2971 CCC(=O)NCCc1sc(nc1C)C 9f06a27d6f7a32f88dbfcff83241bd48 [0,1,0,0,0,0|1,0,0]=2 492 B14R1.2971 CCC(=O)OCNc1nc(nn1C)Br f8f36f47f52a0bf53dbd4dac8234583c [0,1,0,0,0,0|3,0,0]=4 493 B14R1.2971 CCC(=O)OCOc1[nH]c(nc1C)C f724ab668abccefd7c4b6238275d616f [0,1,0,0,0,0|2,0,0]=3 494 B14R1.2971 CCC(=O)OCOc1cc(nn1C)C 0b0004c8da28800aad74ed90c14e7a86 [0,1,0,0,0,0|3,0,0]=4 495 B14R1.2971 CCC(=O)OCOc1cn(nc1C)C 2ce330e393a41ddb414167e8aae75cf1 [0,1,0,0,0,0|3,0,0]=4 496 B14R1.2971 CCC(C)OCCc1sc(nc1C)C bab0e0c54f5be52a7392570fe70100fd [0,1,0,0,0,0|1,0,1]=3 497 B14R1.2971 CNC(=O)CCNc1sc(nc1C)C a1d811e5f445803b3a2160162857f83c [0,1,0,0,0,0|3,0,0]=4 498 B14R1.2971 CNC(=O)CCNc1sc(nc1C)N 9bcf186f908bcc069f4d20d82c6db0d4 [0,1,0,0,0,0|3,0,0]=4 499 B14R1.2971 CNC(=O)CNCc1sc(nc1C)Br d3f97900a87179e150e6f06297c72428 [0,1,0,0,0,0|3,0,0]=4 500 B14R1.2971 CNC(=O)CNCc1sc(nc1C)C 0f928ec6f2d7b52eeeb7ae06832c05eb [0,1,0,0,0,0|3,0,0]=4 501 B14R1.2971 CNC(=O)COCc1sc(nc1C)Br 9babca12f46148043a746fd6a30192fa [0,1,0,0,0,0|3,0,0]=4 502 B14R1.2971 CNC(=O)COCc1sc(nc1C)C 640bdef6bd51bf706a3b96ac9f55e76e [0,1,0,0,0,0|3,0,0]=4 503 B14R1.2971 COC(=O)CCNc1sc(nc1C)C 86130babd9c4730c8b151575305cd3e5 [0,1,0,0,0,0|3,0,0]=4 504 B14R1.2971 COC(=O)CCNc1sc(nc1C)N 5b05eedf85857eedc9b7ca3c28c2b908 [0,1,0,0,0,0|3,0,0]=4 505 B14R1.2971 COC(=O)CNCc1sc(nc1C)Br de80ab1b20daee42a1bd38c7e231f869 [0,1,0,0,0,0|3,0,0]=4 506 B14R1.2971 COC(=O)CNCc1sc(nc1C)C 70e6d6d0d4bcb87a2df87e516be4cbdb [0,1,0,0,0,0|3,0,0]=4 507 B14R1.2971 COC(=O)COCc1sc(nc1C)Br b61691875cf69f5277b1247979b87e1c [0,1,0,0,0,0|3,0,0]=4 508 B14R1.2971 COC(=O)COCc1sc(nc1C)C 2b1401beb96579e49e2a40fb4a0321f9 [0,1,0,0,0,0|3,0,0]=4 509 B14R1.2971 Cc1nc(c(s1)CCNC(=O)C=O)C faac853256c51693c63fe6608e247916 [0,1,0,0,0,0|2,0,1]=4 510 B14R1.2971 Cc1nc(c(s1)CCNC(=O)CF)C d65fae3e348043dcbfd1e7ac37887422 [0,1,0,0,0,0|2,0,0]=3 511 B14R1.2971 Cc1nc(c(s1)CCNC(=O)CO)C 2008f7d8949eb02f61ebb8a12f240a50 [0,1,0,0,0,0|2,0,0]=3 512 B14R1.2971 Cc1nc(c(s1)CCNC(=O)CS)C 4f5127d9cc2aaa2f1049331fe4ca642f [0,1,0,0,0,0|2,0,0]=3 513 B14R1.2971 Cc1nc(c(s1)CNCC(=O)CO)C c25f9b94418960e10eb5875c4b18b58d [0,1,0,0,0,0|3,0,0]=4 514 B14R1.2971 Cc1nc(sc1CNCC(=O)CO)Br 0432027fb23a08cd461a87c9d8f1576e [0,1,0,0,0,0|3,0,0]=4 515 B14R1.4389 C#CC(CC)OCCc1scnc1C 1a20d12f74522710d9eddf18bfbd7442 [0,1,0,0,0,0|1,0,1]=3 516 B14R1.4389 C=CC(CC)OCCc1scnc1C c8eeb86c6ab1b0839425cdeb0bf146fb [0,1,0,0,0,0|1,0,1]=3 517 B14R1.4389 CCC(C#N)OCCc1scnc1C 91dc23719b98b449a8b9bcfcfb3a68b5 [0,1,0,0,0,0|1,0,1]=3 518 B14R1.4389 CCC(C=O)NCCc1sccc1C 37903a07207562f3ccf8971f02844a85 [0,1,0,0,0,0|2,0,1]=4 519 B14R1.4389 CCC(C=O)NCCc1scnc1C c405989c1b75a91d450ca385b1f3304a [0,1,0,0,0,0|1,0,1]=3 520 B14R1.4389 CCC(C=O)OCCc1ncsc1C e76cdc7ba172fb9f9e1d120121fae26e [0,1,0,0,0,0|2,0,1]=4 521 B14R1.4389 CCC(C=O)OCCc1scnc1C 264ef171bb9c52b01be48cce48ac3f54 [0,1,0,0,0,0|0,0,1]=2 522 B14R1.4389 CCC(CC)NCCc1scnc1C f4c2b9f9a1350a73e7108a708ad625ec [0,1,0,0,0,0|2,0,1]=4 523 B14R1.4389 CCC(CC)OCCc1scnc1C 86bbed11c01ecb87c66aeeb4af69eb72 [0,1,0,0,0,0|1,0,1]=3 524 B14R1.4389 CCC(CO)NCCc1scnc1C 2410f43cc5c7f7df1cf88e6ec74d283f [0,1,0,0,0,0|1,0,2]=4 525 B14R1.4389 CC[C@@H](CO)NCCc1scnc1C 7a27dc6c0de3bfb065946a4a807ef68f [0,1,0,0,0,0|1,0,2]=4 526 B14R1.4389 CC[C@H](CO)NCCc1scnc1C ce295854719b92ecab4dfb1ba47d18a4 [0,1,0,0,0,0|1,0,2]=4 527 B14R1.4389 Cc1ncsc1CCOC(C=O)C=O 4040eb135cd7eb1c52a7af69b0aaf9aa [0,1,0,0,0,0|1,0,2]=4 528 B14R1.4389 Cc1ncsc1CCOC(CBr)CBr c84de597a7500091ae53095609beef56 [0,1,0,0,0,0|2,0,1]=4 529 B14R1.4389 Cc1ncsc1CCOC(CCl)CBr f8681494e2d8c813ede1ca388d61f910 [0,1,0,0,0,0|2,0,1]=4 530 B14R1.4389 Cc1ncsc1CCOC(CCl)CCl b5fe72007e50f42caa0a24b11f012c88 [0,1,0,0,0,0|2,0,1]=4 531 B14R1.4389 Cc1ncsc1CCOC(CF)CF 6927147abcec6ddcad6c647d8ca38476 [0,1,0,0,0,0|2,0,1]=4 532 B14R1.4389 Cc1ncsc1CCOC(CO)CO 8ac32664dbace6557039ab99bc14163b [0,1,0,0,0,0|1,0,2]=4 533 B14R1.4389 Cc1ncsc1CCO[C@@H](CCl)CI f99a8e694db71e1db6ec7ab17ba36154 [0,1,0,0,0,0|2,0,1]=4 534 B14R1.4389 Cc1ncsc1CCO[C@H](CCl)CI c7934717f51361e1e99eb3031bade2c3 [0,1,0,0,0,0|2,0,1]=4 535 B14R1.4461 C=C(CC)COC(C)c1scnc1C 32fcd4e7a6cc3969158a27f2f51643cb [0,1,0,0,0,0|3,0,0]=4 536 B14R1.4461 CCC(=O)COC(C)c1scnc1C fcfc15c20639807228fc897cb8b3cfcb [0,1,0,0,0,0|2,0,0]=3 537 B14R1.4461 CNC(=O)COC(C)c1scnc1C b0ae0848b60884f7c1c1cd97fa47c778 [0,1,0,0,0,0|3,0,0]=4 538 B14R1.4461 COC(=O)COC(C)c1scnc1C 457eb0f0a82a7dd7849ca5fa045fb4ab [0,1,0,0,0,0|3,0,0]=4 539 B14R1.5604 CCS(=O)(=O)CCNc1scnc1C f205fdd05c3eb2f7138c19dc5b9726ac [0,1,0,0,0,0|3,0,0]=4 540 B14R1.7648 CCC(=O)NCCc1c(cnn1C)Br 325d0b04a01cc46641d75bf7cf62ec31 [0,1,0,0,0,0|3,0,0]=4 541 B14R1.7648 CCC(=O)NCCc1c(noc1C)C 55589b937a99bb9e8800ae7a8542ba01 [0,1,0,0,0,0|3,0,0]=4 542 B14R1.7648 CCC(=O)OCNc1c(n[nH]c1C)C 34b692294e5cbd6f9358510699d5c1e5 [0,1,0,0,0,0|3,0,0]=4 543 B14R1.7648 CCC(=O)OCNc1c(n[nH]c1Cl)C 3c5a11a2018095188fb06f2bdc8339fc [0,1,0,0,0,0|3,0,0]=4 544 B14R1.7648 CCC(=O)OCNc1c(nnn1C)C cd7b319f5eb3ed4b5b1b84f491cd3af1 [0,1,0,0,0,0|3,0,0]=4 545 B14R1.7648 CCC(=O)OCOc1c(cnn1C)Br 97be886bb0fb814dbc817ae9c17da3ba [0,1,0,0,0,0|3,0,0]=4 546 B14R1.7648 CCC(=O)OCOc1c(n[nH]c1C)C 0ec253c2aaea89da1bd6f735c080d851 [0,1,0,0,0,0|3,0,0]=4 547 B14R1.7648 CCC(=O)OCOc1c(noc1C)C 2bada88cbd123fcdbef3d23a6bd03474 [0,1,0,0,0,0|3,0,0]=4 548 B14R2.121 CCc1nc(no1)c2scnc2C 605392be8ee44b22bf85ee53dc054de9 [0,0,0,1,0,0|2,0,1]=4 549 B14R2.259 Cc1ncsc1CN2CNC(=O)C2 3175e46eea5e019f4308cad1279e9c05 [0,0,0,1,0,0|3,0,0]=4 550 B14R2.319 Cc1ncoc1COC2CCC2=O 225576b98fd2f1858821bf05c3fce82f [0,0,0,1,0,0|2,1,0]=4 551 B14R2.319 Cc1ncsc1CNC2CCC2=O 090209151342d9b54cca8bda8f31d429 [0,0,0,1,0,0|2,0,0]=3 552 B14R2.319 Cc1ncsc1CN[C@H]2CNC2=O 84748063f6b0a6668481516ae1baa934 [0,0,0,1,0,0|3,0,0]=4 553 B14R2.319 Cc1ncsc1COC2CCC2=O 743b4f0cd287244712d0b86d6a773d4a [0,0,0,1,0,0|2,0,0]=3 554 B14R2.319 Cc1ncsc1NCC2COC2=O 91e02b1a2d2a4ca29699734560269eba [0,0,0,1,0,0|3,0,0]=4 555 B14R2.319 Cc1nnsc1CNC2CCC2=O 6ef6233e0f32dffa990bb7f3d4bd074c [0,0,0,1,0,0|3,0,0]=4 556 B14R2.319 Cc1nnsc1COC2CCC2=O 16b85c98962480d56276f6d02c3da801 [0,0,0,1,0,0|3,0,0]=4 557 B14R2.319 O=C1CCC1NCc2scnc2Br 6059269b12f89c7d3035f0d2b8d9c0f0 [0,0,0,1,0,0|3,0,0]=4 558 B14R2.319 O=C1CCC1OCc2scnc2Cl 6741416a4161777d3f6288a5538f5183 [0,0,0,1,0,0|3,0,0]=4 559 B14R2.369 Cc1ncsc1CCNC2CC2C 10d9f261498a018fd890d2b6449a1ce0 [0,0,0,1,0,0|2,0,1]=4 560 B14R2.966 C#CC(=O)N1CCc2scnc2C1 ed4d4ee2a04bcc28e2eff4e609eaa234 [0,0,0,1,0,0|1,0,2]=4 561 B14R2.966 C=CC(=O)N1CCc2scnc2C1 608aaacf81efe29ac171267b436aa329 [0,0,0,1,0,0|1,0,2]=4 562 B14R2.966 CCC(=O)N1CCc2ncsc2C1 54bf8fed8cb27884d1a415d3b753af90 [0,0,0,1,0,0|3,0,0]=4 563 B14R2.966 CCC(=O)N1CCc2occc2C1 dacce0ecd7dc4cf8ee7141ea4a8954e3 [0,0,0,1,0,0|2,1,0]=4 564 B14R2.966 CCC(=O)N1CCc2sccc2C1 f6310ca574dfbf5847d5f76d4e077bae [0,0,0,1,0,0|2,0,0]=3 565 B14R2.966 CCC(=O)N1CCc2scnc2C1 9f0ee4110c653049c0a16cf31627e0cf [0,0,0,1,0,0|1,0,0]=2 566 B14R2.966 CCC(=O)N1CCn2ccnc2C1 33020cd554a7f35696affd4660241abd [0,0,0,1,0,0|3,0,0]=4 567 B14R2.966 CCC(=O)N1CCn2ncnc2C1 5fff83502c0c5893eddade5319a73962 [0,0,0,1,0,0|3,0,0]=4 568 B14R2.966 CCC(C)N1CCc2scnc2C1 7411a9ef33130e5239f895db042122e8 [0,0,0,1,0,0|2,0,1]=4 569 B14R2.966 O=C(CF)N1CCc2sccc2C1 34a8cefdb88cf139f42b55af80cbb84f [0,0,0,1,0,0|3,0,0]=4 570 B14R2.966 O=C(CF)N1CCc2scnc2C1 5e322d063e19a9c3b93bf82aae44b790 [0,0,0,1,0,0|2,0,0]=3 571 B14R2.966 O=C(CO)N1CCc2sccc2C1 a120bb5a39501c9f59139eccc7341fab [0,0,0,1,0,0|3,0,0]=4 572 B14R2.966 O=C(CO)N1CCc2scnc2C1 ee40cc934f17c7e81a41329f61b293df [0,0,0,1,0,0|2,0,0]=3 573 B14R2.966 O=C(CS)N1CCc2sccc2C1 a4cb5cc841d948a9fc0e8e4f6b1789cf [0,0,0,1,0,0|3,0,0]=4 574 B14R2.966 O=C(CS)N1CCc2scnc2C1 4a6355b837ab82689f9cdd4dfcf1ee7f [0,0,0,1,0,0|2,0,0]=3 575 B14R2.966 O=CC(=O)N1CCc2scnc2C1 653f85c7145807307c9d33cf309754c6 [0,0,0,1,0,0|2,0,1]=4 576 B14R2.2844 C=C(CC)CN1Cc2ncsc2C1 158857246def72d47d520539cb0b11c4 [0,0,0,1,0,0|3,0,0]=4 577 B14R2.2844 CCC(=O)CN1Cc2ncsc2C1 9826ca1b255280910e7e3c9796786a16 [0,0,0,1,0,0|2,0,0]=3 578 B14R2.2844 CNC(=O)CN1Cc2ncsc2C1 104e533f8ac7435e7fdc91563ce1641c [0,0,0,1,0,0|3,0,0]=4 579 B14R2.2844 COC(=O)CN1Cc2ncsc2C1 24d71be02077cf61f13864d45dcde2c4 [0,0,0,1,0,0|3,0,0]=4 580 B14R2.2844 O=C(CO)CN1Cc2ncsc2C1 786d6aeb4c7f60ae594fdecd36b370f0 [0,0,0,1,0,0|3,0,0]=4 581 B14R2.5216 Cc1ncsc1CCNC2CCC2 15ceb17c303621eea46646f7a5076369 [0,0,0,1,0,0|2,0,1]=4 582 B14R2.5216 Cc1ncsc1CCOC2CCC2 8addda75cc1a69acef6198447cbbe60c [0,0,0,1,0,0|1,0,1]=3 583 B14R2.5216 Cc1ncsc1CCOC2COC2 a0d92a5651d6d49d0a49ad76d4b8503e [0,0,0,1,0,0|2,0,1]=4 584 B14R2.5216 Cc1ncsc1CCOC2CSC2 78f12f162614190d520d342cd18ee200 [0,0,0,1,0,0|2,0,1]=4 585 B14R2.5306 Cc1ncsc1CCNC2(CC2)C 713e4703741a1b464d3f0eb2d6d449ec [0,0,0,1,0,0|2,0,1]=4 586 B12R1.353 C#CC(=O)NCc1scnc1C 2452d7956903d505fe82d66f50119d9f [0,0,0,0,1,0|1,0,2]=4 587 B12R1.353 C=C(C=O)OCc1scnc1C 1eb355cbfbca3315fc8f9cd55d858ee8 [0,0,0,0,1,0|2,0,1]=4 588 B12R1.353 C=C(CC)CNc1scnc1C caf78221f5e62fa9b5b3f23c0b146ebd [0,0,0,0,1,0|2,0,0]=3 589 B12R1.353 C=C(CNc1scnc1C)OC e52c20e4f467839c2f997723776e4472 [0,0,0,0,1,0|3,0,0]=4 590 B12R1.353 C=C(CO)CNc1scnc1C 7256f040d7bf45a3745a3eab279b3cba [0,0,0,0,1,0|3,0,0]=4 591 B12R1.353 C=CC(=O)NCc1scnc1C 940a2e1a82a6dbd65cfcd45f51a84fe3 [0,0,0,0,1,0|1,0,2]=4 592 B12R1.353 CCC(=O)CNc1c[nH]nc1C bd64e9610827a2681670b7c3af472a54 [0,0,0,0,1,0|3,0,0]=4 593 B12R1.353 CCC(=O)CNc1ccnn1C e9ecff74dc95033881a5c07d8655e9e5 [0,0,0,0,1,0|3,0,0]=4 594 B12R1.353 CCC(=O)CNc1ccsc1C 4b20cf9017218f74faa22bcbdea656f4 [0,0,0,0,1,0|3,0,0]=4 595 B12R1.353 CCC(=O)CNc1conc1C 1bbac0b067e5222ccc07129eeff429d6 [0,0,0,0,1,0|3,0,0]=4 596 B12R1.353 CCC(=O)CNc1csnc1C d7542720392c4ea4945191ade63aca3e [0,0,0,0,1,0|3,0,0]=4 597 B12R1.353 CCC(=O)CNc1ncnn1C 9df737b4bc0b8da55de03138bccd2a44 [0,0,0,0,1,0|3,0,0]=4 598 B12R1.353 CCC(=O)CNc1nonc1C 094845cf0194fa2a605404148e6227fe [0,0,0,0,1,0|3,0,0]=4 599 B12R1.353 CCC(=O)CNc1scnc1C 0b751d26b6bc3a92e4503ae7eb445cc4 [0,0,0,0,1,0|1,0,0]=2 600 B12R1.353 CCC(=O)COc1ccnn1C 59832085d41b3ee285c971520a780636 [0,0,0,0,1,0|3,0,0]=4 601 B12R1.353 CCC(=O)NCc1ccnn1C 87db98182bce9832526f48a24c6373f3 [0,0,0,0,1,0|3,0,0]=4 602 B12R1.353 CCC(=O)NCc1ccoc1C 5db4cc0dbf09788b126a3667e59579ef [0,0,0,0,1,0|3,0,0]=4 603 B12R1.353 CCC(=O)NCc1conc1C 6ee6fcef702a6503729a3c6d2b478a15 [0,0,0,0,1,0|3,0,0]=4 604 B12R1.353 CCC(=O)NCc1ncnn1C d4bfab5fce8289453236c874d6c748c4 [0,0,0,0,1,0|3,0,0]=4 605 B12R1.353 CCC(=O)NCc1ncoc1C a66eb28e4ba18c657a74ad318766f5b2 [0,0,0,0,1,0|3,0,0]=4 606 B12R1.353 CCC(=O)NCc1nonc1C e7a2e1c76691ef98f0aff93b884e75c5 [0,0,0,0,1,0|3,0,0]=4 607 B12R1.353 CCC(=O)NCc1occc1C fd86fbb381cff844f3568ea0c04d875e [0,0,0,0,1,0|2,1,0]=4 608 B12R1.353 CCC(=O)NCc1sccc1Br 79e6c95af4db604d48d4025680a9fdf3 [0,0,0,0,1,0|3,0,0]=4 609 B12R1.353 CCC(=O)NCc1sccc1Cl afdc3effa1cae4dfac8c8b2cb309525a [0,0,0,0,1,0|3,0,0]=4 610 B12R1.353 CCC(=O)NCc1sccc1F 9bad560cc4f1a76d07a87ca16d2d021c [0,0,0,0,1,0|3,0,0]=4 611 B12R1.353 CCC(=O)NCc1scnc1Br f2c9e8af783192dc6fa3bb15af2c397d [0,0,0,0,1,0|2,0,0]=3 612 B12R1.353 CCC(=O)NCc1scnc1C 8daf3f9067960210488fa4f42b0cd196 [0,0,0,0,1,0|1,0,0]=2 613 B12R1.353 CCC(=O)NCc1snnc1C cd0b8ff2175085f2919b627e18238fdf [0,0,0,0,1,0|2,0,0]=3 614 B12R1.353 CCC(C)CNc1scnc1C bd92e8b3629e4dce989b4ff053e6eba3 [0,0,0,0,1,0|2,0,1]=4 615 B12R1.353 CCC(C)NCc1scnc1C d1b46948334b1bfd53a7483ff7fbdd86 [0,0,0,0,1,0|2,0,1]=4 616 B12R1.353 CCC(C)OCc1ocnc1C bb4d377af282652bfa34104c09d11070 [0,0,0,0,1,0|1,1,1]=4 617 B12R1.353 CCC(C)OCc1sccc1C 9e4c4891e39bb9a5f2803694ab2ab3fb [0,0,0,0,1,0|2,0,1]=4 618 B12R1.353 CCC(C)OCc1scnc1Br 6b7db2793fdae302bd70ebc5f906d802 [0,0,0,0,1,0|2,0,1]=4 619 B12R1.353 CCC(C)OCc1scnc1C fdb1050b6417dd2ac19071cff9118daa [0,0,0,0,1,0|1,0,1]=3 620 B12R1.353 CCC(C)OCc1scnc1Cl e6318bc51e53de6ce7e2193f5d84cf4a [0,0,0,0,1,0|2,0,1]=4 621 B12R1.353 CCC(C)OCc1snnc1C f9808d3d7975aa86a10fbfc7efafeeeb [0,0,0,0,1,0|2,0,1]=4 622 B12R1.353 CCC(O)CNc1scnc1C b25c7937d74290bac6ca0fd055b47521 [0,0,0,0,1,0|1,0,2]=4 623 B12R1.353 CC[C@@H](C)CNc1scnc1C b2c7a85213ee8e2ae62031da6875ecff [0,0,0,0,1,0|2,0,1]=4 624 B12R1.353 CC[C@@H](C)OCc1scnc1C 2eb6f60edd863959f98abec67e1eee96 [0,0,0,0,1,0|1,0,1]=3 625 B12R1.353 CC[C@@H](C)OCc1scnc1Cl 45fdee92bad7e0f480f23f720ab1d2da [0,0,0,0,1,0|2,0,1]=4 626 B12R1.353 CC[C@@H](C)OCc1snnc1C 943a778caf3cabe596169b1cf24a3000 [0,0,0,0,1,0|2,0,1]=4 627 B12R1.353 CC[C@H](C)CNc1scnc1C 8222a4eb4cc67b9f3e4bde6865c84a12 [0,0,0,0,1,0|2,0,1]=4 628 B12R1.353 CC[C@H](C)OCc1scnc1C 02415e9af4fc5a8f6bc84e13070d04c0 [0,0,0,0,1,0|1,0,1]=3 629 B12R1.353 CC[C@H](C)OCc1scnc1Cl be91e061d6df883a4563850679592b2a [0,0,0,0,1,0|2,0,1]=4 630 B12R1.353 CC[C@H](C)OCc1snnc1C 4e289fb7244a3e20411838057ee2bb16 [0,0,0,0,1,0|2,0,1]=4 631 B12R1.353 CNC(=O)CNc1[nH]cnc1C 236cb1e058b54718093dab9bb3f1c740 [0,0,0,0,1,0|3,0,0]=4 632 B12R1.353 CNC(=O)CNc1sccc1C d331195e943e98e045793de1c89ebb05 [0,0,0,0,1,0|3,0,0]=4 633 B12R1.353 CNC(=O)CNc1scnc1C 4efd0d9e424cf7c300c33032f9732f5c [0,0,0,0,1,0|2,0,0]=3 634 B12R1.353 COC(=O)CNc1[nH]cnc1C fcf187d585a4967a54d6de069be8a285 [0,0,0,0,1,0|3,0,0]=4 635 B12R1.353 COC(=O)CNc1sccc1C 6021491c72cc4b9fd60daae33dab1d31 [0,0,0,0,1,0|3,0,0]=4 636 B12R1.353 COC(=O)CNc1scnc1C f6bfa6dd53ade99338271e32a561a646 [0,0,0,0,1,0|2,0,0]=3 637 B12R1.353 Cc1ncsc1CNC(=O)C=O 825efa3609beaea906a88962904dcd26 [0,0,0,0,1,0|2,0,1]=4 638 B12R1.353 Cc1ncsc1CNC(=O)CF dc39b921d7d4fd95fa968fc1291055e2 [0,0,0,0,1,0|2,0,0]=3 639 B12R1.353 Cc1ncsc1CNC(=O)CO fba062e4d5eae601a2c03844939ede2d [0,0,0,0,1,0|2,0,0]=3 640 B12R1.353 Cc1ncsc1CNC(=O)CS 261c4011e8498877b90de4966ab821c6 [0,0,0,0,1,0|2,0,0]=3 641 B12R1.353 Cc1ncsc1COC(C)CF a768b1c7941d05e586d3c95e87f49f7c [0,0,0,0,1,0|2,0,1]=4 642 B12R1.353 Cc1ncsc1NCC(=O)CO 5b1b16e1deb85202eb10fe5c6d149885 [0,0,0,0,1,0|2,0,0]=3 643 B12R1.353 Cc1ncsc1NCC(=O)NO fe73706783105e768faaad7decf27006 [0,0,0,0,1,0|3,0,0]=4 644 B12R1.353 Cc1nnsc1CNC(=O)CF 0a62cafa0f3e8e8306fe807ff7c92bec [0,0,0,0,1,0|3,0,0]=4 645 B12R1.353 Cc1nnsc1CNC(=O)CO 98ca39525ab109eec8d4983a9af141f3 [0,0,0,0,1,0|3,0,0]=4 646 B12R1.353 Cc1nnsc1CNC(=O)CS 1d02d112af1272606530769a0729db8e [0,0,0,0,1,0|3,0,0]=4 647 B14R1.819 C#CC(=O)NCCCc1scnc1C 7fb2863786c805829208d54bfcf54969 [0,0,0,0,0,1|1,0,2]=4 648 B14R1.819 C/C(=C\I)/COCCc1scnc1C df1fb24960b440c41e9ea5fc3ae61288 [0,0,0,0,0,1|2,0,1]=4 649 B14R1.819 C=C(C#N)COCCc1scnc1C 52c92e7cf5caf34e0c90aab141b5f12c [0,0,0,0,0,1|2,0,1]=4 650 B14R1.819 C=C(CC)CNCCc1sccc1C 1954d9e9bab881fb588ba9b04b7f029a [0,0,0,0,0,1|3,0,0]=4 651 B14R1.819 C=C(CC)CNCCc1scnc1C b576ff4472ff77e2c8d7159bdc44ca09 [0,0,0,0,0,1|2,0,0]=3 652 B14R1.819 C=C(CC)COCCc1ncsc1C d2685a9471f50d1cfd78342ed992f7dd [0,0,0,0,0,1|3,0,0]=4 653 B14R1.819 C=C(CC)COCCc1scnc1C 2a10e1e5fb10d945accfac397968f24a [0,0,0,0,0,1|1,0,0]=2 654 B14R1.819 C=C(CC)COCCn1ccnc1C c0d1a5c270533a6010cb7d481d84327d [0,0,0,0,0,1|3,0,0]=4 655 B14R1.819 C=C(CNCCc1scnc1C)OC 8efe6a101daf71db1a188e347196e080 [0,0,0,0,0,1|3,0,0]=4 656 B14R1.819 C=C(CO)CNCCc1scnc1C 3acabddd21f125adfc4d5afb2a4b63b3 [0,0,0,0,0,1|3,0,0]=4 657 B14R1.819 C=C(COCCc1scnc1C)OC cee137e437c74e0be6b437614a2db028 [0,0,0,0,0,1|2,0,0]=3 658 B14R1.819 C=CC(=O)CCCNc1scnc1C c5a4a6d2a48c22eea8ee7156235b98b5 [0,0,0,0,0,1|1,0,2]=4 659 B14R1.819 C=CC(=O)NCCCc1scnc1C 974b6ea283e5b94314cd9d8cef24d4c5 [0,0,0,0,0,1|1,0,2]=4 660 B14R1.819 C=CC(=O)NCCNc1scnc1C 1a3269d072b8e280887f3303bd92af7c [0,0,0,0,0,1|1,0,2]=4 661 B14R1.819 C=CC(=O)NCOCc1scnc1C 552c1125b2d985272775387f480bdfb6 [0,0,0,0,0,1|1,0,2]=4 662 B14R1.819 C=CC(=O)OCCNc1scnc1C 25030199530632d797c9ed14e1a83884 [0,0,0,0,0,1|0,0,2]=3 663 B14R1.819 CC(=CI)COCCc1scnc1C 06b31943bebb176afd83fff7ad76d927 [0,0,0,0,0,1|2,0,1]=4 664 B14R1.819 CCC(=O)CNCCc1ccnn1C a3ded0e4cf2bff1a3285699225dbdccc [0,0,0,0,0,1|3,0,0]=4 665 B14R1.819 CCC(=O)CNCCc1sccc1C d9574cdea9bb03ad819afc4fb9dbf274 [0,0,0,0,0,1|2,0,0]=3 666 B14R1.819 CCC(=O)CNCCc1scnc1C 02b8645325fee5d60762ee4e34a3f5d1 [0,0,0,0,0,1|1,0,0]=2 667 B14R1.819 CCC(=O)COCCc1cccn1C c0bc1aedf1e85a9dafb9625868c43251 [0,0,0,0,0,1|3,0,0]=4 668 B14R1.819 CCC(=O)COCCc1nccn1C 90bde0ff1baa416853b1528ee98227f4 [0,0,0,0,0,1|3,0,0]=4 669 B14R1.819 CCC(=O)COCCc1ncsc1C 5ceefc537c2633a6a50db3dd88581713 [0,0,0,0,0,1|2,0,0]=3 670 B14R1.819 CCC(=O)COCCc1nnnn1C 975c1c7ed39814a746da083e845e7b7a [0,0,0,0,0,1|3,0,0]=4 671 B14R1.819 CCC(=O)COCCc1scnc1C ab7a18eb6bdc8c9ded12e65cb54ae848 [0,0,0,0,0,1|0,0,0]=1 672 B14R1.819 CCC(=O)COCCn1ccnc1C 60127bfc8ad6db709a560411e3092021 [0,0,0,0,0,1|2,0,0]=3 673 B14R1.819 CCC(=O)COCCn1nccc1C c9b2157c62a96cadf974875e69311416 [0,0,0,0,0,1|3,0,0]=4 674 B14R1.819 CCC(=O)NCCCc1scnc1C 3e8201d22cce8c3b500118c2aa504ab3 [0,0,0,0,0,1|1,0,0]=2 675 B14R1.819 CCC(=O)NCCCn1ccnc1C 29736e314127744ad6b5e7d434008b33 [0,0,0,0,0,1|3,0,0]=4 676 B14R1.819 CCC(=O)NCCNc1[nH]cnc1C 9eb2826bdcc9de65fbe8538a8dfb8468 [0,0,0,0,0,1|2,0,0]=3 677 B14R1.819 CCC(=O)NCCNc1[nH]nnc1C 901aa93d66635e124fa54676017aa422 [0,0,0,0,0,1|3,0,0]=4 678 B14R1.819 CCC(=O)NCCNc1ccnn1C 2ea5af57d6833e482eca2ac5667514c3 [0,0,0,0,0,1|3,0,0]=4 679 B14R1.819 CCC(=O)NCCNc1ccsc1C 20850b46a55d775da1ea6ebe73b4a518 [0,0,0,0,0,1|3,0,0]=4 680 B14R1.819 CCC(=O)NCCNc1sccc1C a5ae785e01027d08c97d2b9d98949e11 [0,0,0,0,0,1|2,0,0]=3 681 B14R1.819 CCC(=O)NCCNc1scnc1C a7ce75b2812376c28daf7d5e30e42150 [0,0,0,0,0,1|1,0,0]=2 682 B14R1.819 CCC(=O)OCNCc1cccn1C 9c08a9000d7d31e4a5051336326deaab [0,0,0,0,0,1|3,0,0]=4 683 B14R1.819 CCC(=O)OCNCc1ccnn1C 958f6648ea6fa88f1ac08c7bd37a8cd2 [0,0,0,0,0,1|2,0,0]=3 684 B14R1.819 CCC(=O)OCNCc1cn[nH]c1C 99eea90f557773c92044c534be7c9817 [0,0,0,0,0,1|2,0,1]=4 685 B14R1.819 CCC(=O)OCNCc1cnoc1C 8b8b0ce82797623a06795bb1f52bf879 [0,0,0,0,0,1|3,0,0]=4 686 B14R1.819 CCC(=O)OCNCc1nc[nH]c1C 45caa0b272c84fa27d47f2b509a23834 [0,0,0,0,0,1|1,0,1]=3 687 B14R1.819 CCC(=O)OCNCc1nccn1C e7078f28052745077c2101358c108ccf [0,0,0,0,0,1|3,0,0]=4 688 B14R1.819 CCC(=O)OCNCc1ncnn1C 8fd7323c4da83a4da600cbb9816c16b8 [0,0,0,0,0,1|2,0,0]=3 689 B14R1.819 CCC(=O)OCNCc1ncoc1C d99cf05e668ff1aef29c071b2f2828bb [0,0,0,0,0,1|2,0,0]=3 690 B14R1.819 CCC(=O)OCNCc1nonc1C 95b67f65b1cdf2b7a06ffaa342ead189 [0,0,0,0,0,1|2,0,0]=3 691 B14R1.819 CCC(=O)OCNCc1occc1C 29c1cf1dbedc03efbadb1a71ce787877 [0,0,0,0,0,1|1,1,0]=3 692 B14R1.819 CCC(=O)OCNCc1sccc1Cl 018f8a86fd16581af2aeae38c948d306 [0,0,0,0,0,1|2,0,0]=3 693 B14R1.819 CCC(=O)OCNCc1scnc1Br 06a21dc70702fcfb62ea5d580641f1b8 [0,0,0,0,0,1|1,0,0]=2 694 B14R1.819 CCC(=O)OCNCc1scnc1C 8d2a9093b130c4ff8871b384a4dca72f [0,0,0,0,0,1|0,0,0]=1 695 B14R1.819 CCC(=O)OCOCc1c[nH]nc1C c24e3a34303a1c1ee7041c2253b0949e [0,0,0,0,0,1|2,0,0]=3 696 B14R1.819 CCC(=O)OCOCc1cccn1C 303709a5764a7e82bb6647cb452a87db [0,0,0,0,0,1|3,0,0]=4 697 B14R1.819 CCC(=O)OCOCc1ccnn1C 24497c52d27c707fe532ebc321343f24 [0,0,0,0,0,1|2,0,0]=3 698 B14R1.819 CCC(=O)OCOCc1ccoc1C 5cc33abca0c04f895029a50b30bf950c [0,0,0,0,0,1|2,0,0]=3 699 B14R1.819 CCC(=O)OCOCc1ccsc1Cl 1536ae7d9a0928bc40ccdfea1f6b55c5 [0,0,0,0,0,1|3,0,0]=4 700 B14R1.819 CCC(=O)OCOCc1cnnn1C baa4fbf7141da9f1cea5dfbfdd07f663 [0,0,0,0,0,1|3,0,0]=4 701 B14R1.819 CCC(=O)OCOCc1cnoc1C d372f0f0019c4c60cc5a65be11516b07 [0,0,0,0,0,1|3,0,0]=4 702 B14R1.819 CCC(=O)OCOCc1cscc1C 3f37558c9f027270af73e5f2cf376bec [0,0,0,0,0,1|3,0,0]=4 703 B14R1.819 CCC(=O)OCOCc1n[nH]cc1C bcf1a59d8dbd24866fa1f34f748d31a1 [0,0,0,0,0,1|3,0,0]=4 704 B14R1.819 CCC(=O)OCOCc1nc[nH]c1C 89a733cff2cdf11d41c0e723b1e7f12b [0,0,0,0,0,1|1,0,1]=3 705 B14R1.819 CCC(=O)OCOCc1nccn1C 169c8ce2e131622dd6297652a2f52535 [0,0,0,0,0,1|3,0,0]=4 706 B14R1.819 CCC(=O)OCOCc1ncnn1C 56da6e0e0ee79ed11aa6516b95cd284b [0,0,0,0,0,1|2,0,0]=3 707 B14R1.819 CCC(=O)OCOCc1ncoc1C fbc54b1756c9f14b77dc2fe68e8703dd [0,0,0,0,0,1|2,0,0]=3 708 B14R1.819 CCC(=O)OCOCc1nnnn1C cae262772462b0cb3fd8746935f1b922 [0,0,0,0,0,1|3,0,0]=4 709 B14R1.819 CCC(=O)OCOCc1nonc1C 9e48adee894eda9f5082efd34b5177b5 [0,0,0,0,0,1|2,0,0]=3 710 B14R1.819 CCC(=O)OCOCc1occc1Br 4901a1d225ead6c2772f803ba42c91c1 [0,0,0,0,0,1|2,1,0]=4 711 B14R1.819 CCC(=O)OCOCc1occc1C 5fadf84675f32eb451b1b3050296f36e [0,0,0,0,0,1|1,1,0]=3 712 B14R1.819 CCC(=O)OCOCc1ocnc1C 3fdd65e87673e7a4ebb05d45d6c86fcf [0,0,0,0,0,1|0,1,0]=2 713 B14R1.819 CCC(=O)OCOCc1oncc1C c9dc2c131c72e2b67ffc9c09d77df478 [0,0,0,0,0,1|2,1,0]=4 714 B14R1.819 CCC(=O)OCOCc1sccc1C 96e755a27c0ee091bfdad0d1e89a601f [0,0,0,0,0,1|1,0,0]=2 715 B14R1.819 CCC(=O)OCOCc1sccc1Cl cfb517c18ebf677404ac58e4f5049e79 [0,0,0,0,0,1|2,0,0]=3 716 B14R1.819 CCC(=O)OCOCc1scnc1Br c20b9691cb6f293510cb3593170b9e3c [0,0,0,0,0,1|1,0,0]=2 717 B14R1.819 CCC(=O)OCOCc1scnc1C 575ac5fcc6d6a613708e31ab374b751e [0,0,0,0,0,1|0,0,0]=1 718 B14R1.819 CCC(=O)OCOCc1scnc1Cl 9754d73801990da60419038369c06b95 [0,0,0,0,0,1|1,0,0]=2 719 B14R1.819 CCC(=O)OCOCc1snnc1C d5d8e0124df743b2717bd0bf883d837d [0,0,0,0,0,1|1,0,0]=2 720 B14R1.819 CCC(C)CCNCc1scnc1C 405a2859dfcbea5a22fb7571f645e839 [0,0,0,0,0,1|2,0,1]=4 721 B14R1.819 CCC(C)CCOCc1scnc1C c3dd408523211d570087d0165a997c70 [0,0,0,0,0,1|2,0,1]=4 722 B14R1.819 CCC(C)CNCCc1scnc1C 940704ffa71bf4626ecf4592686feb11 [0,0,0,0,0,1|2,0,1]=4 723 B14R1.819 CCC(C)COCCc1scnc1C c10300ac515e3dcda9c082088dacede7 [0,0,0,0,0,1|1,0,1]=3 724 B14R1.819 CCC(C)NCCCc1scnc1C 8dc98d8ac04748493da76be8624da681 [0,0,0,0,0,1|2,0,1]=4 725 B14R1.819 CCC(C)OCCCc1scnc1C 1adc67654be5116d8b5a43fc1cda3bea [0,0,0,0,0,1|1,0,1]=3 726 B14R1.819 CCC(O)CNCCc1scnc1C 6ad39edbc9996b0fc745c4bc571afb05 [0,0,0,0,0,1|1,0,2]=4 727 B14R1.819 CCC(S)CCOCc1scnc1C a112d3d25c316201dbfbc5be3954ada2 [0,0,0,0,0,1|1,1,1]=4 728 B14R1.819 CCN(C)CCCNc1scnc1C f7025a3d5e5831eb765e4fe684412458 [0,0,0,0,0,1|3,0,0]=4 729 B14R1.819 CCS(=O)CCNCc1scnc1C 32b413f0929a6510a1c7f423b18c772d [0,0,0,0,0,1|2,0,0]=3 730 B14R1.819 CCS(=O)CCNCc1snnc1C 179639b80077bd9f74dd2dc7388f48b0 [0,0,0,0,0,1|3,0,0]=4 731 B14R1.819 CCS(=O)CCOCc1ocnc1C ea2b51070b23f68f7cd3e53300dc3302 [0,0,0,0,0,1|2,1,0]=4 732 B14R1.819 CCS(=O)CCOCc1scnc1Br 1ee451ad24de328add9b7926f29fbb84 [0,0,0,0,0,1|3,0,0]=4 733 B14R1.819 CCS(=O)CCOCc1scnc1C a628d83865221d3cb30bf86c8b2c9987 [0,0,0,0,0,1|2,0,0]=3 734 B14R1.819 CCS(=O)CCOCc1snnc1C 1d40e9af9a2cd20461dd940d8a242988 [0,0,0,0,0,1|3,0,0]=4 735 B14R1.819 CC[C@@H](C)CNCCc1scnc1C e2458ab4e8e072d192caaa2881bc3888 [0,0,0,0,0,1|2,0,1]=4 736 B14R1.819 CC[C@@H](C)COCCc1scnc1C 0877cb57fa4a34fe88fd6ad065a9bbfa [0,0,0,0,0,1|1,0,1]=3 737 B14R1.819 CC[C@@H](O)CNCCc1scnc1C a372b30396ecf798829a099bbe3ba070 [0,0,0,0,0,1|1,0,2]=4 738 B14R1.819 CC[C@H](C)CCOCc1scnc1C 183d81cbdeb12ea94fb2d96d6c2bc881 [0,0,0,0,0,1|2,0,1]=4 739 B14R1.819 CC[C@H](C)CNCCc1scnc1C bb9c39f0b713568b2774d4f7311647d0 [0,0,0,0,0,1|2,0,1]=4 740 B14R1.819 CC[C@H](C)COCCc1scnc1C f952d3711dff3e08810a531d22151418 [0,0,0,0,0,1|1,0,1]=3 741 B14R1.819 CNC(=O)CCCNc1scnc1C 578496b02f5bd69f8f3b0cdecf774eb7 [0,0,0,0,0,1|2,0,0]=3 742 B14R1.819 CNC(=O)CCNCc1scnc1Br c1da18e63746b9169ab3bf269e3a5303 [0,0,0,0,0,1|3,0,0]=4 743 B14R1.819 CNC(=O)CCNCc1scnc1C 4b49799706d6939dde315c3d6ddba128 [0,0,0,0,0,1|2,0,0]=3 744 B14R1.819 CNC(=O)CCNCc1scnc1Cl 3e08f92c41327e2804355ef2ae4d916b [0,0,0,0,0,1|3,0,0]=4 745 B14R1.819 CNC(=O)CCNCc1snnc1C 58fcb3489206205363ab1d3818a37d19 [0,0,0,0,0,1|3,0,0]=4 746 B14R1.819 CNC(=O)CCOCc1ocnc1C 9ff377a04ffc5419682998bbe8442850 [0,0,0,0,0,1|2,1,0]=4 747 B14R1.819 CNC(=O)CCOCc1sccc1C ead64ad5dd0a06d9e0779e692e1770a4 [0,0,0,0,0,1|3,0,0]=4 748 B14R1.819 CNC(=O)CCOCc1scnc1Br bdf811942da490bcffe2b2ccd14ed25d [0,0,0,0,0,1|3,0,0]=4 749 B14R1.819 CNC(=O)CCOCc1scnc1C e04a4bf0d6317e87232a07cde4d46ef1 [0,0,0,0,0,1|2,0,0]=3 750 B14R1.819 CNC(=O)CCOCc1scnc1Cl 2e5319ccce35784ec3779f14f57cb67c [0,0,0,0,0,1|3,0,0]=4 751 B14R1.819 CNC(=O)CCOCc1snnc1C 7164312611461012bdbb65e64d87bac5 [0,0,0,0,0,1|3,0,0]=4 752 B14R1.819 CNC(=O)CNCCc1sccc1C 457b6e0ab345b603f6324fa16af7aee1 [0,0,0,0,0,1|3,0,0]=4 753 B14R1.819 CNC(=O)CNCCc1scnc1C 858eecdb1c905afcced26470a979398d [0,0,0,0,0,1|2,0,0]=3 754 B14R1.819 CNC(=O)COCCc1ncsc1C 84c2ee0bfae65edb52430dd3a7da432f [0,0,0,0,0,1|3,0,0]=4 755 B14R1.819 CNC(=O)COCCc1scnc1C 8e6419849ea5b3cdc13322e10c1a0b85 [0,0,0,0,0,1|1,0,0]=2 756 B14R1.819 CNC(=O)COCCn1ccnc1C b496926ef761db8c26eefe5766f81b1d [0,0,0,0,0,1|3,0,0]=4 757 B14R1.819 COC(=O)/C=C/CNc1scnc1C 08f39515a831c6093eea29d3d4b6e048 [0,0,0,0,0,1|2,0,1]=4 758 B14R1.819 COC(=O)/C=C\CNc1scnc1C 2ea4ac1ccd10b4e87afe98de8dca7e26 [0,0,0,0,0,1|2,0,1]=4 759 B14R1.819 COC(=O)C=CCNc1scnc1C d39582ad635ab1e2d93c6a2b9b42284f [0,0,0,0,0,1|2,0,1]=4 760 B14R1.819 COC(=O)CCCNc1sccc1C 2bf9183edab4a6c60f8b58acb895b392 [0,0,0,0,0,1|3,0,0]=4 761 B14R1.819 COC(=O)CCCNc1scnc1C 49e5acbdb4b72bdf4b69d2290fcff8ad [0,0,0,0,0,1|2,0,0]=3 762 B14R1.819 COC(=O)CCCNc1snnc1C 1655879e36a5912026c5072372805537 [0,0,0,0,0,1|3,0,0]=4 763 B14R1.819 COC(=O)CCNCc1scnc1Br 0737c82fe7090cf717fe71babece7ba6 [0,0,0,0,0,1|3,0,0]=4 764 B14R1.819 COC(=O)CCNCc1scnc1C 79e2ef3f5fd5773ca8450356c0036f32 [0,0,0,0,0,1|2,0,0]=3 765 B14R1.819 COC(=O)CCNCc1scnc1Cl d58a62692914fbb6b730e0e7a108e536 [0,0,0,0,0,1|3,0,0]=4 766 B14R1.819 COC(=O)CCNCc1snnc1C 32f5e949ce937b586dcc950a5e84fbee [0,0,0,0,0,1|3,0,0]=4 767 B14R1.819 COC(=O)CCOCc1ocnc1C 1b0c56d09b31710cf9d6b4dfb9400c4d [0,0,0,0,0,1|2,1,0]=4 768 B14R1.819 COC(=O)CCOCc1sccc1C eb27970b6870a6b6c8bb91b53c6aef42 [0,0,0,0,0,1|3,0,0]=4 769 B14R1.819 COC(=O)CCOCc1scnc1Br 2c64c84492b40ea7dd7105b687c3999a [0,0,0,0,0,1|3,0,0]=4 770 B14R1.819 COC(=O)CCOCc1scnc1C 8764e51758cb2fbb6e5247e4eb4eab5f [0,0,0,0,0,1|2,0,0]=3 771 B14R1.819 COC(=O)CCOCc1scnc1Cl a4972179ed5c0f3a632017aded3e957b [0,0,0,0,0,1|3,0,0]=4 772 B14R1.819 COC(=O)CCOCc1snnc1C 1ad84520b6619cb18a8147b00d83bee8 [0,0,0,0,0,1|3,0,0]=4 773 B14R1.819 COC(=O)CNCCc1sccc1C e6afc350188fafe6370f7c8b91a698cc [0,0,0,0,0,1|3,0,0]=4 774 B14R1.819 COC(=O)CNCCc1scnc1C 098ddc65cec533d18428670285b9b559 [0,0,0,0,0,1|2,0,0]=3 775 B14R1.819 COC(=O)COCCc1ncsc1C a992bc931e0d34fffed24973138f6233 [0,0,0,0,0,1|3,0,0]=4 776 B14R1.819 COC(=O)COCCc1sccc1Br 9d2fabab334d669d86dcdfdefe99745c [0,0,0,0,0,1|3,0,0]=4 777 B14R1.819 COC(=O)COCCc1scnc1C 1a61254aa3603edb7b1622733c29bf6f [0,0,0,0,0,1|1,0,0]=2 778 B14R1.819 COC(=O)COCCn1ccnc1C 400844218075872f83d7b547950e0b86 [0,0,0,0,0,1|3,0,0]=4 779 B14R1.819 COC(=O)OCNCc1ccnn1C 531a537d2a069ba4031c634575768d72 [0,0,0,0,0,1|3,0,0]=4 780 B14R1.819 COC(=O)OCNCc1ccoc1C fa1bc0ed441ad41bebb6c134dcb0808a [0,0,0,0,0,1|3,0,0]=4 781 B14R1.819 COC(=O)OCNCc1conc1C 1603583ee5a916b2c91e5857a2f8ac40 [0,0,0,0,0,1|3,0,0]=4 782 B14R1.819 COC(=O)OCNCc1nc[nH]c1C d2bfc33d051d70f055cb40378659cac0 [0,0,0,0,0,1|2,0,1]=4 783 B14R1.819 COC(=O)OCNCc1ncnn1C cdca53d8a01c47f9458649d1d68b7f9c [0,0,0,0,0,1|3,0,0]=4 784 B14R1.819 COC(=O)OCNCc1ncoc1C 23c019d4bda37c4a0a062d61f16dc5b4 [0,0,0,0,0,1|3,0,0]=4 785 B14R1.819 COC(=O)OCNCc1nonc1C 2db37a75b96135d5231db0a796c041e1 [0,0,0,0,0,1|3,0,0]=4 786 B14R1.819 COC(=O)OCNCc1occc1C 342bbbea99cc2c5075312385c72cb5c4 [0,0,0,0,0,1|2,1,0]=4 787 B14R1.819 COC(=O)OCNCc1sccc1Cl 320f4908dde854090a8c74f268fe97ba [0,0,0,0,0,1|3,0,0]=4 788 B14R1.819 COC(=O)OCNCc1sccc1F f4356ca55491e36f6a082631f20c8ea9 [0,0,0,0,0,1|3,0,0]=4 789 B14R1.819 COC(=O)OCNCc1scnc1Br b14447b70598cc9acaae464b07e644ec [0,0,0,0,0,1|2,0,0]=3 790 B14R1.819 COC(=O)OCNCc1scnc1C 1b5e598cb79be236cedbf7ab7c5e76e3 [0,0,0,0,0,1|1,0,0]=2 791 B14R1.819 COC(=O)OCNCc1snnc1C 8069de3fae0e25f85ad2649e5461ae17 [0,0,0,0,0,1|2,0,0]=3 792 B14R1.819 COC(=O)OCOCc1c[nH]nc1C 1fe5cca51f2957321c2d41dc0a1e2df5 [0,0,0,0,0,1|3,0,0]=4 793 B14R1.819 COC(=O)OCOCc1ccnn1C 120dd830814465fe3425d381adaf2cef [0,0,0,0,0,1|3,0,0]=4 794 B14R1.819 COC(=O)OCOCc1ccoc1C 5e496f9aca259ec95c4cd94f93251094 [0,0,0,0,0,1|3,0,0]=4 795 B14R1.819 COC(=O)OCOCc1nc[nH]c1C 368a59b782d65d2b6b37c4f8b8095880 [0,0,0,0,0,1|2,0,1]=4 796 B14R1.819 COC(=O)OCOCc1ncnn1C 54c3f179265cb67edb87793a97a92183 [0,0,0,0,0,1|3,0,0]=4 797 B14R1.819 COC(=O)OCOCc1ncoc1C eb233ddef1fca163dc09e678494eac42 [0,0,0,0,0,1|3,0,0]=4 798 B14R1.819 COC(=O)OCOCc1nonc1C 1d9312cfb05607052eef9fd7f191f4c1 [0,0,0,0,0,1|3,0,0]=4 799 B14R1.819 COC(=O)OCOCc1occc1C 090cb17a1934b6a6b4b597c9d55e8a30 [0,0,0,0,0,1|2,1,0]=4 800 B14R1.819 COC(=O)OCOCc1ocnc1C 42cdc669b62ebf71bb0d107f126cfa47 [0,0,0,0,0,1|1,1,0]=3 801 B14R1.819 COC(=O)OCOCc1sccc1Cl 43890ed22487d49399c76bc88ebb6ae0 [0,0,0,0,0,1|3,0,0]=4 802 B14R1.819 COC(=O)OCOCc1scnc1Br 493e5a48a83899fbba90c053c2c2f951 [0,0,0,0,0,1|2,0,0]=3 803 B14R1.819 COC(=O)OCOCc1snnc1C 85342264b89aff4f5de4ea5926f0d8f7 [0,0,0,0,0,1|2,0,0]=3 804 B14R1.819 COC(C)COCCc1scnc1C 0aa95bd27fe6549ea30f9e0e7d97fa38 [0,0,0,0,0,1|2,0,1]=4 805 B14R1.819 CO[C@@H](C)COCCc1scnc1C 0752b7911f04e5e3b37349e268a83af7 [0,0,0,0,0,1|2,0,1]=4 806 B14R1.819 CO[C@H](C)COCCc1scnc1C 31777599584d0abc570f2646743385ba [0,0,0,0,0,1|2,0,1]=4 807 B14R1.819 Cc1ccsc1CCNCC(=O)CO eb6e5a1fca9ec409f0618094fcd55eef [0,0,0,0,0,1|3,0,0]=4 808 B14R1.819 Cc1ncsc1CCCNC(=O)C=O c2b9a55bde3aa7c88af2fea5e4dcac57 [0,0,0,0,0,1|2,0,1]=4 809 B14R1.819 Cc1ncsc1CCCNC(=O)CF 8edc6be84fa551edefc66e17bc9e48e9 [0,0,0,0,0,1|2,0,0]=3 810 B14R1.819 Cc1ncsc1CCCNC(=O)CO d2993a581a8e940876ad3f8018dbd60b [0,0,0,0,0,1|2,0,0]=3 811 B14R1.819 Cc1ncsc1CCCNC(=O)CS a650578a53cc85bad18b9e650bbe9991 [0,0,0,0,0,1|2,0,0]=3 812 B14R1.819 Cc1ncsc1CCNCC(=O)CO 1cead31f695301d45783ee93065c6b4c [0,0,0,0,0,1|2,0,0]=3 813 B14R1.819 Cc1ncsc1CCNCC(=O)NO 3d2bfeb2c829aae2ae1e09ea2eafc6a1 [0,0,0,0,0,1|3,0,0]=4 814 B14R1.819 Cc1ncsc1CCOC/C(=C/Cl)/Cl 4b151d8bab759b92eb4c54c6f4e4e0a3 [0,0,0,0,0,1|2,0,1]=4 815 B14R1.819 Cc1ncsc1CCOCC(Br)CBr 6d161de1593374209027da7a74781fb1 [0,0,0,0,0,1|2,0,1]=4 816 B14R1.819 Cc1ncsc1CCOCC(Cl)CCl f31d5cb03b3153107c2cc6c12badc6b5 [0,0,0,0,0,1|2,0,1]=4 817 B14R1.819 Cc1ncsc1CCOCC(O)CO d75e10364247f62e9b382877e3aa20bd [0,0,0,0,0,1|1,0,2]=4 818 B14R1.819 Cc1ncsc1CCOCC(S)CS 7b9d297428f31af4b3811c9e4f1f5bcf [0,0,0,0,0,1|1,1,1]=4 819 B14R1.819 Cc1ncsc1CCOC[C@@H](O)CO 5e97a96a2089875697714b3c518cda9b [0,0,0,0,0,1|1,0,2]=4 820 B14R1.819 Cc1ncsc1CCOC[C@H](O)CO 583eab465bb5dd57c2babdb94b6315f3 [0,0,0,0,0,1|1,0,2]=4 821 B14R1.819 Cc1ncsc1CNCCC(=O)NO a560ea82f774d263bcc993086f3a05d2 [0,0,0,0,0,1|3,0,0]=4 822 B14R1.837 CCC(=O)CNCc1cccnc1C bde01cac4ffb45c4ce9fb94b4a3cb014 [0,0,0,0,0,1|3,0,0]=4 823 B14R1.837 CCC(=O)CNCc1ccncc1C 54e59875eea9bf70f5bfad81174ca7ee [0,0,0,0,0,1|3,0,0]=4 824 B14R1.837 CCC(=O)COCc1cccnc1C 23eed930304df07ca846d3f22da04c46 [0,0,0,0,0,1|3,0,0]=4 825 B14R1.837 CCC(=O)COCc1ccncc1C 0418d9bce4eac03b136c40b09a545783 [0,0,0,0,0,1|3,0,0]=4 826 B14R1.837 CCC(=O)COCc1ccnnc1C 6a9353c00c9ac425b354e4e41081e3dc [0,0,0,0,0,1|3,0,0]=4 827 B14R1.837 CCC(=O)COCc1nccnc1C 8a3e649e85531790b435ba752755e459 [0,0,0,0,0,1|3,0,0]=4 828 B14R1.837 CCC(=O)NCCc1ccccc1C da4d866296019e52e1ebf23baa9b1815 [0,0,0,0,0,1|3,0,0]=4 829 B14R1.837 CCC(=O)NCCc1ncccc1C 9d589b34748aa8b3cbd9f919544378f4 [0,0,0,0,0,1|3,0,0]=4 830 B14R1.837 CCC(=O)OCNc1ccn[nH]c1=O 682241f6530ca26eb83517f3c79343f3 [0,0,0,0,0,1|3,0,0]=4 831 B14R1.837 CCC(=O)OCNc1ccn[nH]c1=S be72849e01144b084ad25b73cfb690b8 [0,0,0,0,0,1|3,0,0]=4 832 B14R1.837 CCC(=O)OCNc1ccncc1Br 8f33cd6f45e707c1b7a56de08ac83284 [0,0,0,0,0,1|3,0,0]=4 833 B14R1.837 CCC(=O)OCNc1ncncc1Br 928beac6b74253391fb3898dc7d15f91 [0,0,0,0,0,1|3,0,0]=4 834 B14R1.837 CCC(=O)OCOc1c[nH]cnc1=O 29deaffd58350d7f049489589d6dc106 [0,0,0,0,0,1|3,0,0]=4 835 B14R1.837 CCC(=O)OCOc1cccnc1Br 72ff7d293a7c8c3d84e88f12adb59b55 [0,0,0,0,0,1|3,0,0]=4 836 B14R1.837 CCC(=O)OCOc1cccnc1C 4574f8fc221503b911e65691c5351b36 [0,0,0,0,0,1|2,0,0]=3 837 B14R1.837 CCC(=O)OCOc1cccnc1Cl 5530e1fdbfb4488358d59d2b95af1303 [0,0,0,0,0,1|3,0,0]=4 838 B14R1.837 CCC(=O)OCOc1cccnc1F f3a32d9aba58b064733ffdef7f2838f7 [0,0,0,0,0,1|3,0,0]=4 839 B14R1.837 CCC(=O)OCOc1cccnc1I 55683db5d71cadb34790875b80b45a62 [0,0,0,0,0,1|3,0,0]=4 840 B14R1.837 CCC(=O)OCOc1ccncc1Br fb981aaddec1a811f2fe4ca01a383ea6 [0,0,0,0,0,1|3,0,0]=4 841 B14R1.837 CCC(=O)OCOc1ccncc1C a5f399b0779fe3d27bb852c94fa565e7 [0,0,0,0,0,1|2,0,0]=3 842 B14R1.837 CCC(=O)OCOc1ccncc1Cl e2b797d840e46e7238aff521bde52810 [0,0,0,0,0,1|3,0,0]=4 843 B14R1.837 CCC(=O)OCOc1ccncc1F 4186e48a53296b660b7a32ff4d89189d [0,0,0,0,0,1|3,0,0]=4 844 B14R1.837 CCC(=O)OCOc1ccnnc1Cl 5db5a6fe6dea501cdffba1e9bf401482 [0,0,0,0,0,1|3,0,0]=4 845 B14R1.837 CCC(=O)OCOc1cnccc1C d9933aea7492f58b46f4f164277b11a9 [0,0,0,0,0,1|3,0,0]=4 846 B14R1.837 CCC(=O)OCOc1ncccc1C d4f042b53feb059cfc7588f191605eb3 [0,0,0,0,0,1|3,0,0]=4 847 B14R1.837 CCC(=O)OCOc1nccnc1Br 154b59e7c3f37139944aaa123d900667 [0,0,0,0,0,1|3,0,0]=4 848 B14R1.837 CCC(=O)OCOc1nccnc1C 02f02f2ebb2295eb07f9118c6d21e886 [0,0,0,0,0,1|2,0,0]=3 849 B14R1.837 CCC(=O)OCOc1ncncc1C 095ba79dfdeb4f2be9643e3530a833cd [0,0,0,0,0,1|2,0,0]=3 850 B14R1.837 CCC(=O)OCOc1ncncc1F c833ee608bbc8a5160297c67a4fa4198 [0,0,0,0,0,1|3,0,0]=4 851 B14R1.837 CCC(=O)OCOc1ncncc1I c081d05826dfeebc94cba611f2be793a [0,0,0,0,0,1|3,0,0]=4 852 B14R1.837 CCC(=O)OCOc1nnccc1C 86a4ab14e9dbf0cd03c59887d290fac3 [0,0,0,0,0,1|3,0,0]=4 853 B14R1.837 CCC(C)OCCc1ccncc1C 3d5834ff50b292fb855bd6ef2801cfed [0,0,0,0,0,1|2,0,1]=4 854 B14R1.837 CCC(C)OCCc1nccnc1C 1915713fb98bba50428623f17e23769d [0,0,0,0,0,1|2,0,1]=4 855 B14R1.837 COC(=O)OCNc1nccnc1C 6a9abd7df527c0b53e91ae89868a6e3d [0,0,0,0,0,1|3,0,0]=4 856 B14R1.837 COC(=O)OCOc1cccnc1C c11a73a62ccdb33cb4239707e569d159 [0,0,0,0,0,1|3,0,0]=4 857 B14R1.837 COC(=O)OCOc1ccncc1C 5a14a9885ffbd6f34e3b7ddd7012f09b [0,0,0,0,0,1|3,0,0]=4 858 B14R1.837 COC(=O)OCOc1nccnc1C c060612306fb966a04be41019d1b02a0 [0,0,0,0,0,1|3,0,0]=4 859 B14R1.837 COC(=O)OCOc1ncncc1C 0b6c48c6fec79a93b40deeca7674b018 [0,0,0,0,0,1|3,0,0]=4 860 B14R1.1025 CCC(=O)CNCc1ccnc(c1)C e28f9f07e44bbadf3b92abfcae688da3 [0,0,0,0,0,1|3,0,0]=4 861 B14R1.1025 CCC(=O)CNCc1ccnc(n1)C 3865d2e6ee59ba4e167724ef4639eb71 [0,0,0,0,0,1|3,0,0]=4 862 B14R1.1025 CCC(=O)COCc1cc(ncn1)C 3b8f570807d997fea03134ac4c4dd43e [0,0,0,0,0,1|3,0,0]=4 863 B14R1.1025 CCC(=O)COCc1ccnc(c1)C ad5f48cc0fa7af535c886522f934fad4 [0,0,0,0,0,1|3,0,0]=4 864 B14R1.1025 CCC(=O)COCc1ccnc(n1)C 2b93ca436c3c2d3e0ad79a53cc152956 [0,0,0,0,0,1|3,0,0]=4 865 B14R1.1025 CCC(=O)NCCc1cccc(c1)C f1d5b9c8c01cd87257938ced5938f6dc [0,0,0,0,0,1|3,0,0]=4 866 B14R1.1025 CCC(=O)NCCc1cccc(n1)C d5faa78a610aa46887f4decbd9318ad6 [0,0,0,0,0,1|3,0,0]=4 867 B14R1.1025 CCC(=O)NCCc1ccnc(c1)C ba0af252f85cb070c0048295e933a70a [0,0,0,0,0,1|2,0,0]=3 868 B14R1.1025 CCC(=O)OCNc1cc(ncn1)C 77667c48758b69e7eeec56e9373c3669 [0,0,0,0,0,1|2,0,0]=3 869 B14R1.1025 CCC(=O)OCNc1ccnc(c1)C 8288f412349cf633620d98c69f5cef0f [0,0,0,0,0,1|2,0,0]=3 870 B14R1.1025 CCC(=O)OCNc1ccnc(c1)Cl eb97631d91473a420c46ff13054ecb69 [0,0,0,0,0,1|3,0,0]=4 871 B14R1.1025 CCC(=O)OCNc1ccnc(c1)F 0a8fe923cddfcf72b3459cac9ede3f88 [0,0,0,0,0,1|3,0,0]=4 872 B14R1.1025 CCC(=O)OCOc1cc(ccn1)C 6b6123c85102867d4147310f1a16e656 [0,0,0,0,0,1|3,0,0]=4 873 B14R1.1025 CCC(=O)OCOc1cc(ncn1)Br e918d79a37779deaf7e4bb593399f9e4 [0,0,0,0,0,1|3,0,0]=4 874 B14R1.1025 CCC(=O)OCOc1cc(ncn1)C acc37e90c53d47c0d6d02d1a85bda872 [0,0,0,0,0,1|2,0,0]=3 875 B14R1.1025 CCC(=O)OCOc1cc(ncn1)Cl ad03a0eb87e7ad8a56eab73aef713d9c [0,0,0,0,0,1|3,0,0]=4 876 B14R1.1025 CCC(=O)OCOc1cccc(c1)C 07ed92717a390a4c6edfd825b0a101ec [0,0,0,0,0,1|3,0,0]=4 877 B14R1.1025 CCC(=O)OCOc1cccc(n1)C 56c2e23831d2716922a9e9c2da633615 [0,0,0,0,0,1|3,0,0]=4 878 B14R1.1025 CCC(=O)OCOc1ccnc(c1)Br bfcb9800d26659817df59a383b9725b4 [0,0,0,0,0,1|3,0,0]=4 879 B14R1.1025 CCC(=O)OCOc1ccnc(c1)C 9800678b6d4419de4e9296ad6827f408 [0,0,0,0,0,1|2,0,0]=3 880 B14R1.1025 CCC(=O)OCOc1ccnc(c1)Cl c223b6ff8f3bc4057c2e110a645ef18a [0,0,0,0,0,1|3,0,0]=4 881 B14R1.1025 CCC(=O)OCOc1ccnc(c1)F a064704735a22fdc415cba160c09b4be [0,0,0,0,0,1|3,0,0]=4 882 B14R1.1025 CCC(=O)OCOc1ccnc(n1)C e8ef8f0827d2ea7f4d6ef9bf6560c8d0 [0,0,0,0,0,1|2,0,0]=3 883 B14R1.1025 CCC(=O)OCOc1ccnc(n1)Cl e1e95b0a2f4e1475adfe6b6f66de8917 [0,0,0,0,0,1|3,0,0]=4 884 B14R1.1025 COC(=O)OCNc1cc(ncn1)C 3a24d8352ba1c68254d3a0b5bb938f42 [0,0,0,0,0,1|3,0,0]=4 885 B14R1.1025 COC(=O)OCNc1ccnc(c1)C 31f1fbcbe244cffbaa531a28c9e3f26a [0,0,0,0,0,1|3,0,0]=4 886 B14R1.1025 COC(=O)OCOc1cc(ncn1)C 6252862eb1b3ac9a3909a3fe60f2067c [0,0,0,0,0,1|3,0,0]=4 887 B14R1.1025 COC(=O)OCOc1ccnc(c1)C 3b9993c35705c627fe09e5b94a7a4c92 [0,0,0,0,0,1|3,0,0]=4 888 B14R1.1025 COC(=O)OCOc1ccnc(n1)C 8e6c574bada6563dec321226a8cf6d85 [0,0,0,0,0,1|3,0,0]=4 889 B14R1.1025 Cc1cc(ccn1)CCNC(=O)CF 5d46b63c7f70ddc6b3b400777eb804a6 [0,0,0,0,0,1|3,0,0]=4 890 B14R1.1025 Cc1cc(ccn1)CCNC(=O)CO b5867f8023ea1f0de9f3c92b61d24a53 [0,0,0,0,0,1|3,0,0]=4 891 B14R1.1025 Cc1cc(ccn1)CCNC(=O)CS 0894233d698a8d1ad73553c5652e270f [0,0,0,0,0,1|3,0,0]=4 892 B11R0.40 C/C=C/COCCOC(=O)CC 693dff3e3c0f1a5c67200f91481060b7 [1,0,1,0,0,0|2,0,0]=4 893 B11R0.40 C/C=C\COCCOC(=O)CC 71a3984a427621a9baf9cafe648966d0 [1,0,1,0,0,0|2,0,0]=4 894 B11R1.172 CC(=O)CCNc1cncs1 bce7d96e9d22cce9e72ec22be1ef03a0 [2,0,0,0,0,0|2,0,0]=4 895 B11R1.172 CC(=O)NCCc1cccs1 b2bccd28809b44ec5e70798b6aa4c45f [2,0,0,0,0,0|2,0,0]=4 896 B11R1.172 CC(=O)NCCc1nncs1 479c1c69ca7fcc56462b325695d52c02 [2,0,0,0,0,0|2,0,0]=4 897 B11R1.172 CC(=O)OCNc1cccs1 9bfb4558c6114317955d0a73b0c80837 [2,0,0,0,0,0|2,0,0]=4 898 B11R1.172 CC(=O)OCNc1cncs1 9a6e7eff9e67f8d7869dbea990d12924 [2,0,0,0,0,0|1,0,0]=3 899 B11R1.172 CC(=O)OCNc1cnns1 1adfc41c375af76429681910e1b3cbba [2,0,0,0,0,0|2,0,0]=4 900 B11R1.172 CC(=O)OCNc1nncs1 de880000d4fa13ec3ca1abe413a70d36 [2,0,0,0,0,0|2,0,0]=4 901 B11R1.172 CC(=O)OCOc1cccs1 01a2361020ef2a379439fd07806b9e9d [2,0,0,0,0,0|2,0,0]=4 902 B11R1.172 CC(=O)OCOc1nncs1 21057dd9fd9375dd9838c8337af86c6f [2,0,0,0,0,0|2,0,0]=4 903 B11R1.180 C/C=C/CNc1scnc1C c69988677860ab05e7d2623db5567978 [2,0,0,0,0,0|1,0,1]=4 904 B11R1.180 C/C=C\CNc1scnc1C c4d3eedc2b7e96ec9342de983430f948 [2,0,0,0,0,0|1,0,1]=4 905 B11R1.180 CC=CCNc1scnc1C bf0d4a6a3d90d4d4bf212d85df92ca1f [2,0,0,0,0,0|1,0,1]=4 906 B11R1.180 CCCCNc1scnc1C a953d1ca90e919ae12ebf72c94309d02 [2,0,0,0,0,0|1,0,1]=4 907 B11R1.180 CCCNCc1scnc1C c2523451deed12d729c1b04cfc7b37a1 [2,0,0,0,0,0|1,0,1]=4 908 B11R1.180 CCCOCc1ocnc1C 218849497850e36b842606f5c4cde9c9 [2,0,0,0,0,0|0,1,1]=4 909 B11R1.180 CCCOCc1sccc1C f1db515b4bc7ba1569929001c68c4beb [2,0,0,0,0,0|1,0,1]=4 910 B11R1.180 CCCOCc1scnc1Br 5a3b07a99480bbdb1787a6146acbc076 [2,0,0,0,0,0|1,0,1]=4 911 B11R1.180 CCCOCc1scnc1C 0f93c70fa6bce92185614499be1b9f8e [2,0,0,0,0,0|0,0,1]=3 912 B11R1.180 CCCOCc1scnc1Cl 999d979003c9e0c20c887c0776505183 [2,0,0,0,0,0|1,0,1]=4 913 B11R1.180 CCCOCc1snnc1C e42b334f3d6cc0f1c6a78ac33bad1cfd [2,0,0,0,0,0|1,0,1]=4 914 B11R1.180 CCNCCc1sccc1C e5d25d38d1fd0f601f4e275056cd9808 [2,0,0,0,0,0|2,0,0]=4 915 B11R1.180 CCNCCc1scnc1C 7e0301501f7a99da68aba2c0ba99f639 [2,0,0,0,0,0|1,0,0]=3 916 B11R1.180 CCOCCc1ncsc1C 7967d2d240fa0f0a1e9238e41e3edf4f [2,0,0,0,0,0|2,0,0]=4 917 B11R1.180 CCOCCc1scnc1C cf10344eb1014692cafbbc7c6d57ba00 [2,0,0,0,0,0|0,0,0]=2 918 B11R1.180 CCOCCn1ccnc1C 774c66d4a7e04f82e54e3b4f75e9d200 [2,0,0,0,0,0|2,0,0]=4 919 B11R1.180 CCOCNc1scnc1C 31e3d8d948eec3e9c061412b426a878c [2,0,0,0,0,0|1,0,0]=3 920 B11R1.180 COCOCc1scnc1C 8d606a1dcda285b3761d860ebc393793 [2,0,0,0,0,0|1,0,1]=4 921 B11R1.180 CSCOCc1scnc1C 6182e85dd04e1073d9303e3832b2dd44 [2,0,0,0,0,0|1,0,1]=4 922 B11R1.180 Cc1ccsc1CCNC=O face3e688d3bcb97c791ad679777e4f8 [2,0,0,0,0,0|2,0,0]=4 923 B11R1.180 Cc1ncsc1CCNC=O 306e67493ea2ae5971f9c8dc133f4fd0 [2,0,0,0,0,0|1,0,0]=3 924 B11R1.180 Cc1ncsc1CCNCF 7cdf7486c1c6d1c32667a1b32348526a [2,0,0,0,0,0|2,0,0]=4 925 B11R1.180 Cc1ncsc1CCNCO 386ae8a43e1d4958f9665a79fb5af047 [2,0,0,0,0,0|2,0,0]=4 926 B11R1.180 Cc1ncsc1CCOCF b730c0a35ac2c0398a187cdcff8ad81e [2,0,0,0,0,0|1,0,0]=3 927 B11R1.180 Cc1ncsc1CNCC=O 42b2b866ceb320505bf405807d04c23a [2,0,0,0,0,0|2,0,0]=4 928 B11R1.180 Cc1ncsc1COCC=O 7b6579766e4fd39c94968a0e5efbcf03 [2,0,0,0,0,0|2,0,0]=4 929 B11R1.180 Cc1ncsc1COCCF bd1cc08a3d57298d731e4843fafac877 [2,0,0,0,0,0|1,0,1]=4 930 B11R1.180 Cc1ncsc1COCCS 8f59ce2ab720ec83ffcc4bb4f1e8a4f6 [2,0,0,0,0,0|1,0,1]=4 931 B11R1.180 Cc1ncsc1NCCC=O b3a8e3da57ebf9ed08e59f06e12adb98 [2,0,0,0,0,0|2,0,0]=4 932 B11R1.4 CC/C=C/CNc1cncs1 0a0b91921f94342cd535ca3732fee42d [2,0,0,0,0,0|2,0,0]=4 933 B11R1.4 CCCOCCc1cccs1 3efc7159f8ad1bcf58697e9254fd54d1 [2,0,0,0,0,0|1,0,1]=4 934 B13R1.169 CC(=O)C(=O)CNc1scnc1C f0cc704909004584415a82846fcd06a9 [1,1,0,0,0,0|2,0,0]=4 935 B13R1.169 CC(=O)C(=O)NCc1scnc1C f406a6fb1d49ac9e3c7fe623bba6c1ab [1,1,0,0,0,0|2,0,0]=4 936 B13R1.169 CC(=O)C(C)NCc1scnc1C 5b7e95289f47475b7c82091ebe65abf9 [1,1,0,0,0,0|2,0,0]=4 937 B13R1.169 CC(=O)C(C)OCc1scnc1C 55a1e0ccbad29028c9410174d22f0f39 [1,1,0,0,0,0|2,0,0]=4 938 B13R1.282 CC(=O)OC(C)Nc1scnc1C 9d49763231dc263e49a87c37e8d02bf0 [1,1,0,0,0,0|1,0,0]=3 939 B13R1.3485 CC(=O)CNCc1sc(nc1C)C 6d7c3ce97ecba29ba589f285aed2369e [1,1,0,0,0,0|2,0,0]=4 940 B13R1.3485 CC(=O)COCc1sc(nc1C)C ab2bab934c8068e81d0795daad1820ac [1,1,0,0,0,0|2,0,0]=4 941 B13R1.3485 CC(=O)NCCc1sc(nc1C)C e6769187f7948b44f3814f1e6c9325a9 [1,1,0,0,0,0|1,0,0]=3 942 B13R1.3485 CC(=O)OCOc1[nH]c(nc1C)C 337ce593079b8aa13a5ce49833330e8b [1,1,0,0,0,0|2,0,0]=4 943 B13R1.3485 Cc1nc(c(s1)CCOC(C)C)C 028dcbb85efae341eb49450a83044969 [1,1,0,0,0,0|1,0,1]=4 944 B13R1.3529 CC(=O)OCNc1c(ncn1C)C 861b248313e7b65cb0bca8930682b76c [1,1,0,0,0,0|2,0,0]=4 945 B13R1.167 C=C(C)COCCc1scnc1C 677c620a82bd6e4ef19470f5713e13a7 [1,1,0,0,0,0|0,0,2]=4 946 B13R1.167 CC(=O)COCCc1scnc1C 4b470b6947d8a682bb76dac90b8c53ca [1,1,0,0,0,0|0,0,2]=4 947 B13R1.167 Cc1ncsc1CCCNC(C)C ae1556cff478f044d84589a4e355ceca [1,1,0,0,0,0|2,0,0]=4 948 B13R1.167 Cc1ncsc1CCCOC(C)C ac298120bbf6372310ef21525a75cec7 [1,1,0,0,0,0|2,0,0]=4 949 B13R1.167 Cc1ncsc1CCNCC(C)C 0b65617a7ddf8c8019c22009118b0463 [1,1,0,0,0,0|1,0,1]=4 950 B13R1.167 Cc1ncsc1CCNCC(C)O 2bee60eb0d3e0b9cf38de88ea4c092be [1,1,0,0,0,0|1,0,1]=4 951 B13R1.167 Cc1ncsc1CCNC[C@@H](C)O 8a2ee54f7c906aad43f990084522b88d [1,1,0,0,0,0|1,0,1]=4 952 B13R1.167 Cc1ncsc1CCNC[C@H](C)O cf582ea2d23acc5d1befe748d10b2254 [1,1,0,0,0,0|1,0,1]=4 953 B13R1.167 Cc1ncsc1CCOCC(C)C 4168d112d3e5d092207743dbf95dac77 [1,1,0,0,0,0|0,0,1]=3 954 B13R1.167 Cc1ncsc1CCOCC(C)F c3df94f759033422333819d143c1a544 [1,1,0,0,0,0|0,0,1]=3 955 B13R1.167 Cc1ncsc1CCOCC(C)S 12be5af4bb50715a4347d6bdd2e48ae7 [1,1,0,0,0,0|0,0,1]=3 956 B13R1.167 Cc1ncsc1CCOCC(F)F c04b5542242f0bb6e22e3b080ef17881 [1,1,0,0,0,0|1,0,1]=4 957 B13R1.167 Cc1ncsc1CCOCN(C)C 30b73498a16449576f54d5fd7fb52244 [1,1,0,0,0,0|1,0,1]=4 958 B13R1.167 Cc1ncsc1CCOC[C@@H](C)F b65934e116d3f24a9be7eb4b55e693b6 [1,1,0,0,0,0|0,0,1]=3 959 B13R1.167 Cc1ncsc1CCOC[C@H](C)F c407a98d340e9c015722ff7b1da2686c [1,1,0,0,0,0|0,0,1]=3 960 B13R1.167 Cc1ncsc1NC/C=C/C(C)C d6c3ba0f4539e1f93e084c7f494166d4 [1,1,0,0,0,0|2,0,0]=4 961 B13R1.190 CCCNCCc1sc(nc1C)C 57dc19a02a7d0e6fcdfb5b7f89cfc9b1 [1,1,0,0,0,0|1,0,1]=4 962 B13R1.190 CCCOCCc1sc(nc1C)C 1cb0d81c09e893ecac6281f9ea69b6d0 [1,1,0,0,0,0|0,0,1]=3 963 B13R1.190 COCOCCc1sc(nc1C)C e23ba73e6627eaf0c1af753858b448f6 [1,1,0,0,0,0|1,0,1]=4 964 B13R1.190 CSCOCCc1sc(nc1C)C 2b10d7bb61b253d438cfaeff32742f66 [1,1,0,0,0,0|1,0,1]=4 965 B13R1.190 Cc1nc(c(s1)CCOCCF)C 92ddde204205aa0feaac7bfbbb6d15ee [1,1,0,0,0,0|1,0,1]=4 966 B13R1.190 Cc1nc(c(s1)CCOCCS)C 2ad039536cb6b78902d3bb46e94b79d7 [1,1,0,0,0,0|1,0,1]=4 967 B13R1.654 C#CCCOCCc1scnc1C 48adf3e6d8e41171a94330f8c13ada28 [1,1,0,0,0,0|0,0,2]=4 968 B13R1.654 C/C=C/CCOCc1scnc1C d6ab090090662f29ab0833f870f6b64a [1,1,0,0,0,0|1,0,1]=4 969 B13R1.654 C/C=C/CNCCc1scnc1C a5583c7ab0585687756e8c16b791ff9a [1,1,0,0,0,0|1,0,1]=4 970 B13R1.654 C/C=C/COCCc1scnc1C 934ab8e1ca7e4aa6fc54a1a4d551eb03 [1,1,0,0,0,0|0,0,1]=3 971 B13R1.654 C/C=C\CCCNc1scnc1C f3f2cc06ffa9992ba9cef1c8eb654a30 [1,1,0,0,0,0|1,0,1]=4 972 B13R1.654 C/C=C\CNCCc1scnc1C 53738906b8acd9b5e1f50c8774f8bc67 [1,1,0,0,0,0|1,0,1]=4 973 B13R1.654 C/C=C\COCCc1scnc1C 0e5eb292699836993ee12e40ab263100 [1,1,0,0,0,0|0,0,1]=3 974 B13R1.654 C=CCCOCCc1scnc1C 2028c742603c84183781dde4acc15265 [1,1,0,0,0,0|0,0,2]=4 975 B13R1.654 CC#CCOCCc1scnc1C 1a3a2cf4a324e126ba75d5b4b052975d [1,1,0,0,0,0|0,0,2]=4 976 B13R1.654 CC/C=C/CNCc1scnc1Br e9b7d2c537caf09660921aef5efa01d4 [1,1,0,0,0,0|2,0,0]=4 977 B13R1.654 CC/C=C/CNCc1scnc1C 7732d283077bdc5daa106bc4bd1335ec [1,1,0,0,0,0|1,0,0]=3 978 B13R1.654 CC/C=C/CNCc1snnc1C f3e4def8f214b907483d6039774d6718 [1,1,0,0,0,0|2,0,0]=4 979 B13R1.654 CC/C=C/COCc1ocnc1C 572bd799d3224d7237b7e4504ec9cec4 [1,1,0,0,0,0|1,1,0]=4 980 B13R1.654 CC/C=C/COCc1sccc1C db11896c694607abea90ce949fa132e5 [1,1,0,0,0,0|2,0,0]=4 981 B13R1.654 CC/C=C/COCc1scnc1Br 2a30df0b832a5173aba796123e8e6861 [1,1,0,0,0,0|2,0,0]=4 982 B13R1.654 CC/C=C/COCc1scnc1C 8b823ed0b3e36d1854795c2d67837988 [1,1,0,0,0,0|1,0,0]=3 983 B13R1.654 CC/C=C/COCc1scnc1Cl d275f095bacab65302410fe47bb53efc [1,1,0,0,0,0|2,0,0]=4 984 B13R1.654 CC/C=C/COCc1snnc1C 5e651d93c696dcbcdf9ae9593fe4a7d7 [1,1,0,0,0,0|2,0,0]=4 985 B13R1.654 CC/C=C\CCNc1scnc1C f06ee6385c5eba8bffb391dc475963f5 [1,1,0,0,0,0|1,0,0]=3 986 B13R1.654 CC/C=C\COCc1scnc1C 18e93ae88755989e824eda33583e27a5 [1,1,0,0,0,0|1,0,0]=3 987 B13R1.654 CC/C=C\COCc1scnc1Cl d2e31e62b724af15fbca208a40107fdc [1,1,0,0,0,0|2,0,0]=4 988 B13R1.654 CC/C=C\COCc1snnc1C 4384e7b4131d7cfe726ce197c5f0d091 [1,1,0,0,0,0|2,0,0]=4 989 B13R1.654 CC=CCNCCc1scnc1C 118f912df9eb093ec2cc1733eedbc3f6 [1,1,0,0,0,0|1,0,1]=4 990 B13R1.654 CC=CCOCCc1scnc1C 1dc667b0dec7e737f7c4d3a17dde55bf [1,1,0,0,0,0|0,0,1]=3 991 B13R1.654 CCC#CCOCc1scnc1C 9dcfcc05233e9a9e182ebc16f644e974 [1,1,0,0,0,0|1,0,1]=4 992 B13R1.654 CCC/C=C/CNc1scnc1C c15bfce16ea5955ec20862f5f777b585 [1,1,0,0,0,0|2,0,0]=4 993 B13R1.654 CCC/C=C\CNc1scnc1C 1b828dec2c2946458fe9a1b56f7c4c09 [1,1,0,0,0,0|2,0,0]=4 994 B13R1.654 CCCCCCNc1scnc1C b8a7ca634f6565349a8767ba911f050a [1,1,0,0,0,0|1,0,1]=4 995 B13R1.654 CCCCCNCc1scnc1C 1493dca997d931d0a629e93bbc2c3e7d [1,1,0,0,0,0|1,0,1]=4 996 B13R1.654 CCCCCOCc1scnc1C 9acef54bc4b4ac93b263ee9d00e32528 [1,1,0,0,0,0|1,0,1]=4 997 B13R1.654 CCCCNCCc1scnc1C 02e25331848adf4339917ea0dbb16d70 [1,1,0,0,0,0|1,0,1]=4 998 B13R1.654 CCCCOCCc1scnc1C ba8be49114fe5ec1e01ee83ac928f159 [1,1,0,0,0,0|0,0,1]=3 999 B13R1.654 CCCCOCNc1scnc1C 1ebf7835098f372a7b53b5d12d652451 [1,1,0,0,0,0|1,0,1]=4 1000 B13R1.654 CCCNCCCc1scnc1C 9d50001341013eb0b28dee4f47ab84e6 [1,1,0,0,0,0|1,0,1]=4 1001 B13R1.654 CCCOCCCc1scnc1C 5d039fc200fc0c169b918f3b3c31f178 [1,1,0,0,0,0|0,0,1]=3 1002 B13R1.654 CCCOCCNc1sccc1C d4a3f44930a571e0a19b8e248fc2de0b [1,1,0,0,0,0|1,0,1]=4 1003 B13R1.654 CCCOCCNc1scnc1C e4e2739d025e86719fd304741abc1e27 [1,1,0,0,0,0|0,0,1]=3 1004 B13R1.654 CCCOCCNc1snnc1C 9c5447a12453c7227428ef7b02d2f492 [1,1,0,0,0,0|1,0,1]=4 1005 B13R1.654 CCOCCCNc1scnc1C b315acdf408886cb279682783e48ad31 [1,1,0,0,0,0|2,0,0]=4 1006 B13R1.654 CCOCCNCc1scnc1C 4b2b6699c6ed69578b8d2b8d8301ed81 [1,1,0,0,0,0|2,0,0]=4 1007 B13R1.654 CCOCCOCc1scnc1C 78c1694ac74814ef13253940cef56a9c [1,1,0,0,0,0|2,0,0]=4 1008 B13R1.654 CCSCCCNc1scnc1C 8e65945aa5ecfae199e98617c07e4510 [1,1,0,0,0,0|2,0,0]=4 1009 B13R1.654 CCSCCNCc1scnc1C 1ba8a69f5fdde244ed3884df3600dd94 [1,1,0,0,0,0|2,0,0]=4 1010 B13R1.654 CCSCCOCc1scnc1C dfee32c33ffb5d285231a61e95c5fdda [1,1,0,0,0,0|2,0,0]=4 1011 B13R1.654 COCCNCCc1scnc1C bf92983b544f94b865f36dc3e801e29c [1,1,0,0,0,0|1,0,1]=4 1012 B13R1.654 COCCOCCc1scnc1C 8d8cdb25902d7920f4d2a159b2a66552 [1,1,0,0,0,0|0,0,1]=3 1013 B13R1.654 COCCOCNc1scnc1C 4397178ca2318afe3f1b3be193942dab [1,1,0,0,0,0|1,0,1]=4 1014 B13R1.654 COCNCCCc1scnc1C 5ce026c6de1f88f9e3a5dec8f5c71d63 [1,1,0,0,0,0|2,0,0]=4 1015 B13R1.654 COCOCCCc1scnc1C a9d3b10d18a811d323499cb087efee12 [1,1,0,0,0,0|1,0,1]=4 1016 B13R1.654 COCOCCNc1scnc1C 21f9c822396f4e8eee83a1db067680d9 [1,1,0,0,0,0|1,0,1]=4 1017 B13R1.654 CSCCNCCc1scnc1C e2609e4c80915fb9c9f2a6d61788b74e [1,1,0,0,0,0|1,0,1]=4 1018 B13R1.654 CSCCOCCc1scnc1C 330fc708e6fe986ad292f55c8b8dd5ce [1,1,0,0,0,0|0,0,1]=3 1019 B13R1.654 CSCNCCCc1scnc1C babe554d56f9b695e279053542e03019 [1,1,0,0,0,0|2,0,0]=4 1020 B13R1.654 CSCOCCCc1scnc1C 2424c7b9f01aac1f3bd4b63e49655830 [1,1,0,0,0,0|1,0,1]=4 1021 B13R1.654 Cc1ncsc1CCCNCCF a79704e38bf020004d077781f9f42841 [1,1,0,0,0,0|2,0,0]=4 1022 B13R1.654 Cc1ncsc1CCCNCCO b3285ffd5c4c14749ca38c3b6c77f436 [1,1,0,0,0,0|2,0,0]=4 1023 B13R1.654 Cc1ncsc1CCCNCCS 195ff0ce4923513a0256a90367a7eb50 [1,1,0,0,0,0|2,0,0]=4 1024 B13R1.654 Cc1ncsc1CCCOCCF ed4f2208337778d981ae57d763169ce4 [1,1,0,0,0,0|1,0,1]=4 1025 B13R1.654 Cc1ncsc1CCCOCCS 57a6cdbc36d3447f669c057221a9a937 [1,1,0,0,0,0|1,0,1]=4 1026 B13R1.654 Cc1ncsc1CCNCCCCl f288831172f104ec93a635636c094fdf [1,1,0,0,0,0|1,0,1]=4 1027 B13R1.654 Cc1ncsc1CCNCCCF 6d1d21327057dd8c14107645e3f8ea3b [1,1,0,0,0,0|1,0,1]=4 1028 B13R1.654 Cc1ncsc1CCNCCCO fb89988a65401b56440af8ecf04c00c4 [1,1,0,0,0,0|1,0,1]=4 1029 B13R1.654 Cc1ncsc1CCNCCCS b0ad0acb8056035d9b230017063d3d59 [1,1,0,0,0,0|1,0,1]=4 1030 B13R1.654 Cc1ncsc1CCOC/C=C/Cl 7400c29740fa949a46a18026639c514e [1,1,0,0,0,0|1,0,1]=4 1031 B13R1.654 Cc1ncsc1CCOC/C=C\Cl f523696fcef2b5f2bf3dbc9d5b81c3ea [1,1,0,0,0,0|1,0,1]=4 1032 B13R1.654 Cc1ncsc1CCOCC=CCl ea3081a741f30bd654ea38b7e3f2796a [1,1,0,0,0,0|1,0,1]=4 1033 B13R1.654 Cc1ncsc1CCOCCC#N 65d9e3a31e91258028b4e3df39e391ad [1,1,0,0,0,0|0,0,2]=4 1034 B13R1.654 Cc1ncsc1CCOCCC=O 28b507a2985e700219f8eda0db90cca9 [1,1,0,0,0,0|0,0,2]=4 1035 B13R1.654 Cc1ncsc1CCOCCCF ee02f6f578729ab3e7649e32ab240704 [1,1,0,0,0,0|0,0,1]=3 1036 B13R1.654 Cc1ncsc1CCOCCCS 61194dba0f03472cb95c14d29feb3b58 [1,1,0,0,0,0|0,0,1]=3 1037 B13R1.654 Cc1ncsc1NCCOCCO 7cb07619dc2bdabcfe60f314a5ec81b5 [1,1,0,0,0,0|1,0,1]=4 1038 B13R1.654 Cc1ncsc1NCCOCCS 15425d2525b76bc2b5635fc7f5e646dd [1,1,0,0,0,0|1,0,1]=4 1039 B13R1.162 CCC(=O)CNC(C)c1cncs1 e7fe7d5188abfa29819bd1ba5bd1767c [1,1,0,0,0,0|2,0,0]=4 1040 B13R1.162 CCC(=O)CN[C@@H](C)c1cncs1 a9c970dcf7e8f0cd3f42c42027d47728 [1,1,0,0,0,0|2,0,0]=4 1041 B13R1.162 CCC(=O)COC(C)c1cncs1 11d4d0faeda26cc30267b6b2b335eeae [1,1,0,0,0,0|2,0,0]=4 1042 B13R1.162 CCC(=O)NCC(O)c1cccs1 b8808390cb3be47a1064ed4f702ae9f1 [1,1,0,0,0,0|2,0,0]=4 1043 B13R1.404 CCCC(=O)CNCc1cncs1 bbbfe6ca4a4543809e7edb267a74d1a4 [1,1,0,0,0,0|2,0,0]=4 1044 B13R1.404 CCCC(=O)COCc1cncs1 23dcc80ecfc10448e94723eca40f96bd [1,1,0,0,0,0|2,0,0]=4 1045 B13R1.404 CCCC(=O)NCCc1cccs1 75f4307366c7fc78e7e90a2e11e3d454 [1,1,0,0,0,0|2,0,0]=4 1046 B13R1.404 CCCC(=O)NCCc1nncs1 b615908cc42c7fa95e915a0171c16463 [1,1,0,0,0,0|2,0,0]=4 1047 B13R1.404 CCCC(=S)OCCc1cccs1 09b455b86869804ab1426f65efb577c9 [1,1,0,0,0,0|1,1,0]=4 1048 B13R1.404 CCNC(=O)CCNc1cncs1 c98d73613b9534729e777b42932414e5 [1,1,0,0,0,0|2,0,0]=4 1049 B13R1.404 CCNC(=O)CNCc1cncs1 8d0310ca877f1611e3e4c9a4a3049c89 [1,1,0,0,0,0|2,0,0]=4 1050 B13R1.404 CCNC(=O)COCc1cncs1 8cd187dd268068d9d6fca2d03a6ee8f1 [1,1,0,0,0,0|2,0,0]=4 1051 B13R1.404 CCOC(=O)CCNc1cncs1 aec3f7c0167f5da231d08cd8d1bebf9c [1,1,0,0,0,0|2,0,0]=4 1052 B13R1.404 CCOC(=O)CNCc1cncs1 435c23c8db84f1d30bdc336404689766 [1,1,0,0,0,0|2,0,0]=4 1053 B13R1.404 CCOC(=O)COCc1cncs1 d1afec3155118f050d0e6fc7d5478f32 [1,1,0,0,0,0|2,0,0]=4 1054 B13R1.404 CCOC(=O)OCOc1cccs1 9a98882bec379b4d41d7402f0bdb1c69 [1,1,0,0,0,0|2,0,0]=4 1055 B13R1.404 CCOC(=O)OCOc1nncs1 3da38d5e4b71a7f0aa237440d6ea2339 [1,1,0,0,0,0|2,0,0]=4 1056 B13R1.404 CCSC(=O)OCNc1cccs1 a3274fa5b5e6ce4db38b328fd97e9a87 [1,1,0,0,0,0|2,0,0]=4 1057 B13R1.404 CCSC(=O)OCOc1cccs1 f1c1549988c1a4cd883623d95a919790 [1,1,0,0,0,0|2,0,0]=4 1058 B13R1.404 CCSC(=O)OCOc1nncs1 5c655c783d6b42f1ba30ba951dcb8dd7 [1,1,0,0,0,0|2,0,0]=4 1059 B13R1.404 COCC(=O)CNCc1cncs1 7dd5616d303092d6dc0872fafdbd048b [1,1,0,0,0,0|2,0,0]=4 1060 B13R1.404 COCC(=O)NCCc1cccs1 5bb8d3650f472b064ba9fdb7279aceae [1,1,0,0,0,0|2,0,0]=4 1061 B13R1.404 COCC(=O)NCCc1nncs1 fea15704358586d2445d4e9f5dff3b9f [1,1,0,0,0,0|2,0,0]=4 1062 B13R1.404 CSCC(=O)NCCc1cccs1 f2645c7120c59a638f430620dcffde0d [1,1,0,0,0,0|2,0,0]=4 1063 B13R1.404 CSCC(=O)NCCc1nncs1 633f2c88b0d5e1b4e93211b3cf06717d [1,1,0,0,0,0|2,0,0]=4 1064 B13R1.404 O=C(CCF)NCCc1cccs1 26f8a133c57057ed941153f3148e24f4 [1,1,0,0,0,0|2,0,0]=4 1065 B13R1.404 O=C(CCF)NCCc1nncs1 7a1f41cc1d7aaa60e61594cc1d5197f6 [1,1,0,0,0,0|2,0,0]=4 1066 B13R1.404 O=C(CCO)NCCc1cccs1 80fecdedb7e7b5d1003c7b796acde308 [1,1,0,0,0,0|2,0,0]=4 1067 B13R1.404 O=C(CCO)NCCc1nncs1 a0c169b77d962bbb972e139533c0f981 [1,1,0,0,0,0|2,0,0]=4 1068 B13R1.404 O=C(CCS)NCCc1cccs1 14b138bc21385211f7dc100355a44583 [1,1,0,0,0,0|2,0,0]=4 1069 B13R1.404 O=C(CCS)NCCc1nncs1 2308d183e0056216fbe762d73b082020 [1,1,0,0,0,0|2,0,0]=4 1070 B13R1.415 CCC(C=O)OCCc1cccs1 35a1aaa0404807439170cf578b40df39 [1,1,0,0,0,0|1,0,1]=4 1071 B13R1.545 CCC(=O)CN(C)Cc1cncs1 55cb76518db051b704763d2763858c76 [1,1,0,0,0,0|2,0,0]=4 1072 B13R1.554 CCC(=O)C(=O)NCc1cncs1 ed4932493a949cdadd2f57f10ed6d2b1 [1,1,0,0,0,0|2,0,0]=4 1073 B13R1.554 CCC(=O)C(C)NCc1cncs1 3cdae15e728a95e53bf23b4ed5f9af78 [1,1,0,0,0,0|2,0,0]=4 1074 B13R1.554 CCC(=O)N(C)CCc1cccs1 a8a039b0a64bc578ad668c52d85af0bb [1,1,0,0,0,0|2,0,0]=4 1075 B13R1.717 CCC(=O)CNCc1cnc(s1)Br b83c684d6c86a2715b1020a7ee95ed2d [1,1,0,0,0,0|2,0,0]=4 1076 B13R1.717 CCC(=O)CNCc1cnc(s1)C 75d29322e08cf6baa719c7990d5e5f19 [1,1,0,0,0,0|2,0,0]=4 1077 B13R1.717 CCC(=O)CNCc1cnc(s1)Cl ce66f3c3eea534fbaf0d740440ba8400 [1,1,0,0,0,0|2,0,0]=4 1078 B13R1.717 CCC(=O)COCc1cnc(s1)Br 18b93f79850bd240030c3d1ccd78db5a [1,1,0,0,0,0|2,0,0]=4 1079 B13R1.717 CCC(=O)COCc1cnc(s1)C e37e7c3eb5604522980f7ae701da22d6 [1,1,0,0,0,0|2,0,0]=4 1080 B13R1.717 CCC(=O)COCc1cnc(s1)Cl 716253823e6dfaf460d92b3388e24ff6 [1,1,0,0,0,0|2,0,0]=4 1081 B13R1.717 CCC(=O)NCCc1ccc(s1)Br fe796d4092e3a11e9badc80b74d05799 [1,1,0,0,0,0|2,0,0]=4 1082 B13R1.717 CCC(=O)NCCc1ccc(s1)C ff8bd2daf2a7ea503a73b1c2a8ef30ea [1,1,0,0,0,0|2,0,0]=4 1083 B13R1.717 CCC(=O)OCNc1cnc(s1)Br d8c4c87fed03e6a8b11042e47ee3a4ca [1,1,0,0,0,0|1,0,0]=3 1084 B13R1.717 CCC(=O)OCNc1cnc(s1)C cf5469a64b1cbf44aae2203f0c960332 [1,1,0,0,0,0|1,0,0]=3 1085 B13R1.717 CCC(=O)OCOc1cc(cs1)C 2c355ec6fce4eea9da2bd6dfb46df3fd [1,1,0,0,0,0|2,0,0]=4 1086 B13R1.717 CCC(=O)OCOc1ccc(s1)Br a2d8213d6cfd14336a3bb04c83acffd1 [1,1,0,0,0,0|2,0,0]=4 1087 B13R1.717 CCC(=O)OCOc1nnc(s1)C 9cb9841e72fe45af0b747750e6d5e809 [1,1,0,0,0,0|2,0,0]=4 1088 B13R1.717 CCC(C)OCCc1cnc(s1)C 2fe5782a7bd4f6002f92d21cdcfd0cd0 [1,1,0,0,0,0|1,0,1]=4 1089 B13R1.1110 CC(C)C(=O)CNCc1cncs1 d5e568cf6ab374b59f0172daa7fd0ea6 [1,1,0,0,0,0|2,0,0]=4 1090 B13R1.1110 CC(C)C(=O)COCc1cncs1 b76e3c7a43b090182e1d1dfd14465547 [1,1,0,0,0,0|2,0,0]=4 1091 B13R1.1110 CC(C)C(=O)OCNc1cccs1 4042500b97ba81204b5044b7db73905a [1,1,0,0,0,0|2,0,0]=4 1092 B13R1.1110 CC(C)C(=O)OCNc1cncs1 3884d2dfa65688c5a3d62d84d7500eb1 [1,1,0,0,0,0|1,0,0]=3 1093 B13R1.1110 CC(C)C(=O)OCNc1nncs1 16f38980647e5bbec0bd23997c117bcd [1,1,0,0,0,0|2,0,0]=4 1094 B13R1.1110 CC(C)C(=O)OCOc1cccs1 1898fd519bc2394a63ee713b60f79f4c [1,1,0,0,0,0|2,0,0]=4 1095 B13R1.1110 CC(C)C(=O)OCOc1nncs1 685589bb2bfc133481a9910bf983a855 [1,1,0,0,0,0|2,0,0]=4 1096 B13R1.1110 CC(F)C(=O)NCCc1cccs1 6ed2ae0de8777537c174b4e5bcc9a5f7 [1,1,0,0,0,0|2,0,0]=4 1097 B13R1.1110 CC(F)C(=O)NCCc1nncs1 0309129afac96e9810e4753a469464a2 [1,1,0,0,0,0|2,0,0]=4 1098 B13R1.1110 CC(O)C(=O)NCCc1cccs1 0874b96e8c40c43953ad9024ca0c2104 [1,1,0,0,0,0|2,0,0]=4 1099 B13R1.1110 CC(O)C(=O)NCCc1nncs1 92aba9529e150fac9f96671efe523637 [1,1,0,0,0,0|2,0,0]=4 1100 B13R1.1110 CC(S)C(=O)NCCc1cccs1 172edcdb076f932d65b05ed7d7afb1d3 [1,1,0,0,0,0|2,0,0]=4 1101 B13R1.1110 CC(S)C(=O)NCCc1nncs1 671ebe1c25ab52d318a85d965f9b02f0 [1,1,0,0,0,0|2,0,0]=4 1102 B13R1.1110 C[C@@H](F)C(=O)NCCc1cccs1 06991d021dddad199de169e6acf9c5f7 [1,1,0,0,0,0|2,0,0]=4 1103 B13R1.1110 C[C@@H](F)C(=O)NCCc1nncs1 06e420dc2edce2e06566939fdcd2c802 [1,1,0,0,0,0|2,0,0]=4 1104 B13R1.1110 C[C@@H](O)C(=O)NCCc1cccs1 f6c4972131d7853201688aa6c16c4c56 [1,1,0,0,0,0|2,0,0]=4 1105 B13R1.1110 C[C@@H](O)C(=O)NCCc1nncs1 65d7855b146038aa6c63d2e8f03f5e7b [1,1,0,0,0,0|2,0,0]=4 1106 B13R1.1110 C[C@H](F)C(=O)NCCc1cccs1 fd7b8d91889570a87c7a278e7677ff79 [1,1,0,0,0,0|2,0,0]=4 1107 B13R1.1110 C[C@H](F)C(=O)NCCc1nncs1 ef029f8019751e8c399e8701a9cb2284 [1,1,0,0,0,0|2,0,0]=4 1108 B13R1.1110 C[C@H](O)C(=O)NCCc1cccs1 60beb75896b86a1f3e1fa57d07e474ba [1,1,0,0,0,0|2,0,0]=4 1109 B13R1.1110 C[C@H](O)C(=O)NCCc1nncs1 30b6223b3cd54ef9071100d12e8ac445 [1,1,0,0,0,0|2,0,0]=4 1110 B13R1.316 C#CC(CC)OCc1scnc1C ec5a6c22f5bfdb01990a6dff74f009da [0,1,0,0,1,0|1,0,1]=4 1111 B13R1.316 C=CC(CC)OCc1scnc1C 691a388b9119dac0fd269977e1149a7b [0,1,0,0,1,0|1,0,1]=4 1112 B13R1.316 CCC(C#N)OCc1scnc1C f93fcb5979e2d30568cec8d8f34fd7e0 [0,1,0,0,1,0|1,0,1]=4 1113 B13R1.316 CCC(C=O)NCc1scnc1C 03a1b1738cb9256fd6aeeab51728395f [0,1,0,0,1,0|1,0,1]=4 1114 B13R1.316 CCC(C=O)OCc1ocnc1C 144941d9f0bad9c94f3a8d9b7978a4a6 [0,1,0,0,1,0|0,1,1]=4 1115 B13R1.316 CCC(C=O)OCc1sccc1C f3ad39f462766fe6651eb2198142b69e [0,1,0,0,1,0|1,0,1]=4 1116 B13R1.316 CCC(C=O)OCc1scnc1Br 6cc5e29d4cf53e8ff3982d197e7934aa [0,1,0,0,1,0|1,0,1]=4 1117 B13R1.316 CCC(C=O)OCc1scnc1C 2b869914611db173dc2ae20d35a18096 [0,1,0,0,1,0|0,0,1]=3 1118 B13R1.316 CCC(C=O)OCc1scnc1Cl 0f20a9d5897a025a5a7d5a1ed6503d7e [0,1,0,0,1,0|1,0,1]=4 1119 B13R1.316 CCC(C=O)OCc1snnc1C 6f44e4b54544310db2ff96b65019b3d9 [0,1,0,0,1,0|1,0,1]=4 1120 B13R1.316 CCC(CC)OCc1scnc1C 87d4b640c09835f445ecb3048f57aecd [0,1,0,0,1,0|1,0,1]=4 1121 B13R1.439 CCC(C)OC(C)c1scnc1C ba428466b91fee005d8fad40ea5df3eb [0,1,0,0,1,0|1,0,1]=4 1122 B13R1.596 CCC(=O)COc1[nH]c(nc1C)C ec30e5ec28503b77ed7c157bb0442582 [0,1,0,0,1,0|2,0,0]=4 1123 B13R1.596 CCC(=O)NCc1oc(nc1C)C d968781fb5b2e2133e77a5163fa0bbab [0,1,0,0,1,0|1,1,0]=4 1124 B13R1.596 CCC(=O)NCc1sc(nc1C)Br ac10437dc88781031e8aa44105325a0a [0,1,0,0,1,0|1,0,0]=3 1125 B13R1.596 CCC(=O)NCc1sc(nc1C)C 600477d0fccf295b5187491dc0f7ce67 [0,1,0,0,1,0|1,0,0]=3 1126 B13R1.596 CNC(=O)CNc1sc(nc1C)C 9ef758d50de25dbc7816d556c6e5aa5d [0,1,0,0,1,0|2,0,0]=4 1127 B13R1.596 CNC(=O)CNc1sc(nc1C)N f8ad3d771b5feb2ed18b4b8f9d878fcf [0,1,0,0,1,0|2,0,0]=4 1128 B13R1.596 COC(=O)CNc1sc(nc1C)C df4f446ccbed857d114155780e5182f8 [0,1,0,0,1,0|2,0,0]=4 1129 B13R1.596 COC(=O)CNc1sc(nc1C)N 6fe31d33aea38d1eb67242e1fcef60ed [0,1,0,0,1,0|2,0,0]=4 1130 B13R1.596 Cc1nc(c(s1)CNC(=O)CF)C 241f678d52620e3d192634d014da0513 [0,1,0,0,1,0|2,0,0]=4 1131 B13R1.596 Cc1nc(c(s1)CNC(=O)CO)C 9789eaa6d9122f937318d7356cbff11e [0,1,0,0,1,0|2,0,0]=4 1132 B13R1.596 Cc1nc(c(s1)CNC(=O)CS)C 538cfb4b3d2785e1a3c9fff0c33a9eaa [0,1,0,0,1,0|2,0,0]=4 1133 B13R1.596 Cc1nc(sc1CNC(=O)CF)Br 24918dc41a0beb9b550cdb10fd60f3b1 [0,1,0,0,1,0|2,0,0]=4 1134 B13R1.596 Cc1nc(sc1CNC(=O)CO)Br cd8c7fd75597ce8c66b2be6adb523fa9 [0,1,0,0,1,0|2,0,0]=4 1135 B13R1.613 CCC(=O)NCc1sccc1OC 1d2852ca7b03df6c8e521fbc37a7b535 [0,1,0,0,1,0|2,0,0]=4 1136 B13R1.613 CNC(=O)CNc1scnc1CO 30b04e84e6e50551a520d7e8a65ccf44 [0,1,0,0,1,0|2,0,0]=4 1137 B13R1.613 COC(=O)CNc1scnc1CO 59d2ff0e66151d7fe56c35b01a869705 [0,1,0,0,1,0|2,0,0]=4 1138 B13R1.704 CCC(=O)C(=O)Nc1scnc1C e75353689ff1074b20bc4ff98b4de849 [0,1,0,0,1,0|1,0,1]=4 1139 B13R1.704 CCC(=O)C(C)Nc1scnc1C 2614464d4a77726eea4a2c2959c10ad6 [0,1,0,0,1,0|1,0,0]=3 1140 B13R1.704 CCC(=O)N(C)Cc1scnc1C a7bdf7830497b78c83010546edba92b0 [0,1,0,0,1,0|1,0,0]=3 1141 B13R1.704 CCC(=O)N(C)Cc1snnc1C 8b51d0850c8931bf5a0075529baa3270 [0,1,0,0,1,0|2,0,0]=4 1142 B13R1.704 CNC(=O)C(C)Nc1scnc1C df5c710ed6e6a9f5f8b646d82fde0262 [0,1,0,0,1,0|2,0,0]=4 1143 B13R1.704 COC(=O)C(C)Nc1scnc1C 725568e4afefdad5d56dcdd4ed3de8cf [0,1,0,0,1,0|2,0,0]=4 1144 B13R1.704 COC(=O)[C@@H](C)Nc1scnc1C 3fee42e775d03c39f83b594308d9f366 [0,1,0,0,1,0|2,0,0]=4 1145 B13R1.704 COC(=O)[C@H](C)Nc1scnc1C 8e54b58201a4e312ce6a98e2730221cf [0,1,0,0,1,0|2,0,0]=4 1146 B13R1.704 Cc1ncsc1CN(C)C(=O)CF 5b70069c2c1cbe57931ae56882009859 [0,1,0,0,1,0|2,0,0]=4 1147 B13R1.704 Cc1ncsc1CN(C)C(=O)CO 84670a41f629b376875832783cf54ea6 [0,1,0,0,1,0|2,0,0]=4 1148 B13R1.704 Cc1ncsc1CN(C)C(=O)CS d39de21668500205961726c199ec4b62 [0,1,0,0,1,0|2,0,0]=4 1149 B13R1.2042 CCC(=O)CNc1c(ncn1C)C b0d8debf87cc1f862945387ff6d33d00 [0,1,0,0,1,0|2,0,0]=4 1150 B15R1.356 C=C(C)C(=O)NCCCc1scnc1C a66e20813f68717d5aa4cde522e7c701 [0,1,0,0,0,1|1,0,1]=4 1151 B15R1.356 C=C(C)C(=O)OCCNc1scnc1C 9dfbedcd7753038a034bba071084a02a [0,1,0,0,0,1|0,0,1]=3 1152 B15R1.356 CC(=O)C(=O)CNCCc1scnc1C 50cc2c90dffbfdce970069c3d9a28e0d [0,1,0,0,0,1|1,0,1]=4 1153 B15R1.356 CC(=O)C(=O)COCCc1scnc1C a66928ff9eff0efa56de713e239112e0 [0,1,0,0,0,1|0,0,1]=3 1154 B15R1.356 CC(=O)C(=O)NCCCc1scnc1C 3e27b4f3bee10d52d2236d6b7666503e [0,1,0,0,0,1|1,0,1]=4 1155 B15R1.356 CC(C)C(=O)NCOCc1scnc1Cl cf881db272c3a4096681fd925e0d4905 [0,1,0,0,0,1|2,0,0]=4 1156 B15R1.356 CC(C)C(=O)OCNCc1ccnn1C 06c10f32027d24b4f9b061afe9c8534d [0,1,0,0,0,1|2,0,0]=4 1157 B15R1.356 CC(C)C(=O)OCNCc1ncnn1C 89593c3bed0e226477b06a36eb7345e7 [0,1,0,0,0,1|2,0,0]=4 1158 B15R1.356 CC(C)C(=O)OCNCc1sccc1Br 235fcfc805a897fd2356f040e96733f1 [0,1,0,0,0,1|2,0,0]=4 1159 B15R1.356 CC(C)C(=O)OCNCc1sccc1Cl 32f8884d2616c9e0735ab88012dac23a [0,1,0,0,0,1|2,0,0]=4 1160 B15R1.356 CC(C)C(=O)OCNCc1sccc1F bf6e130ee4c2b548101c7f4d09ec8e2a [0,1,0,0,0,1|2,0,0]=4 1161 B15R1.356 CC(C)C(=O)OCNCc1scnc1Br 2b11dadc83d78cc5b724a96af23083e4 [0,1,0,0,0,1|1,0,0]=3 1162 B15R1.356 CC(C)C(=O)OCOCc1ccnn1C 74a3df025914c451d150076a790045a6 [0,1,0,0,0,1|2,0,0]=4 1163 B15R1.356 CC(C)C(=O)OCOCc1ncnn1C 3c713af4a7cef2dcab50bc014d678b46 [0,1,0,0,0,1|2,0,0]=4 1164 B15R1.356 CC(C)C(=O)OCOCc1sccc1Br bdf9e2939906eed21d4f38cdbd31f521 [0,1,0,0,0,1|2,0,0]=4 1165 B15R1.356 CC(C)C(=O)OCOCc1sccc1Cl cb8bf02af0a182fcd43ff93598c01e85 [0,1,0,0,0,1|2,0,0]=4 1166 B15R1.356 CC(C)C(=O)OCOCc1sccc1F 290fc7e161d90bab3153c2a4264c2c74 [0,1,0,0,0,1|2,0,0]=4 1167 B15R1.356 CC(C)C(=O)OCOCc1scnc1Br 3d3ec36b9843df6e9aafa1b34b6f1473 [0,1,0,0,0,1|1,0,0]=3 1168 B15R1.356 CC(C)C(=O)OCOCc1scnc1Cl 8119afb4d2c0e808afd524821b4c2ee5 [0,1,0,0,0,1|1,0,0]=3 1169 B15R1.356 Cc1[nH]cnc1CNCOC(=O)C(C)C 8b1d18b8bd9d6772c8cbfb20f940f101 [0,1,0,0,0,1|1,0,1]=4 1170 B15R1.356 Cc1[nH]cnc1COCOC(=O)C(C)C 7c0f9a7c0d5239bad265c56f5494a46a [0,1,0,0,0,1|1,0,1]=4 1171 B15R1.356 Cc1ccoc1CNCOC(=O)C(C)C 1c703f89dbee8d0db3e5664bf783b098 [0,1,0,0,0,1|1,1,0]=4 1172 B15R1.356 Cc1ccoc1COCOC(=O)C(C)C 8aab8c348688cab091207a34757e8822 [0,1,0,0,0,1|1,1,0]=4 1173 B15R1.356 Cc1ccsc1CCNCC(=O)C(C)C 2702209541bf175de3a0fc79a8f4a353 [0,1,0,0,0,1|2,0,0]=4 1174 B15R1.356 Cc1ccsc1COCOC(=O)C(C)C 0061fedc77943627a87d02c76667de63 [0,1,0,0,0,1|1,0,0]=3 1175 B15R1.356 Cc1n[nH]cc1COCOC(=O)C(C)C 311c74f76d72fabbadaa28f657cacaf3 [0,1,0,0,0,1|2,0,0]=4 1176 B15R1.356 Cc1nccn1CCOCC(=O)C(C)C 4d4bb84640c1bb7d7bd2709a2b752358 [0,1,0,0,0,1|2,0,0]=4 1177 B15R1.356 Cc1ncoc1COCOC(=O)C(C)C 86b6c0caf7329816bb9ea82ffe9e1669 [0,1,0,0,0,1|0,1,0]=3 1178 B15R1.356 Cc1ncsc1CCCNC(=O)C(C)F 0b4fd98a86f0642c8b39f8403906e843 [0,1,0,0,0,1|1,0,0]=3 1179 B15R1.356 Cc1ncsc1CCCNC(=O)C(C)O ce150831c730f0a346b212bcd078af16 [0,1,0,0,0,1|1,0,0]=3 1180 B15R1.356 Cc1ncsc1CCCNC(=O)C(C)S f5bee556d34a2a7989e86b6203e636ad [0,1,0,0,0,1|1,0,0]=3 1181 B15R1.356 Cc1ncsc1CCCNC(=O)C(F)F 789bf92cb30e9db09a6916d22322f191 [0,1,0,0,0,1|2,0,0]=4 1182 B15R1.356 Cc1ncsc1CCCNC(=O)C(O)O 10fbfde6762edfbc1665d8a0468a4221 [0,1,0,0,0,1|2,0,0]=4 1183 B15R1.356 Cc1ncsc1CCCNC(=O)[C@@H](C)F 3034b89c6ed5fa2dc972d8316963aec4 [0,1,0,0,0,1|1,0,0]=3 1184 B15R1.356 Cc1ncsc1CCCNC(=O)[C@@H](C)O c779e581109050e89fd8639811c8a5d3 [0,1,0,0,0,1|1,0,0]=3 1185 B15R1.356 Cc1ncsc1CCCNC(=O)[C@H](C)F d095b14cbb6178ccefb1ef056b303d73 [0,1,0,0,0,1|1,0,0]=3 1186 B15R1.356 Cc1ncsc1CCCNC(=O)[C@H](C)O 2a600d8b94657e8cb5e08ea477baaddb [0,1,0,0,0,1|1,0,0]=3 1187 B15R1.356 Cc1ncsc1CCCOC(C)C(C)C ed5d7f1c94c07d703cdb3c08a657a551 [0,1,0,0,0,1|1,0,1]=4 1188 B15R1.356 Cc1ncsc1CCNCC(=O)C(C)C 145b31394d43f3e62b2e9f57ccea976e [0,1,0,0,0,1|1,0,0]=3 1189 B15R1.356 Cc1ncsc1CCNCC(=O)C(F)F d1554948c68d647334ec52a3715e70ef [0,1,0,0,0,1|2,0,0]=4 1190 B15R1.356 Cc1ncsc1CCNCC(=O)N(C)C 7e79ad84644222b4a0dcff53c433ee0d [0,1,0,0,0,1|2,0,0]=4 1191 B15R1.356 Cc1ncsc1CCOCC(=O)C(=O)O d10d55d8bb75df3f8e19effc5167a6ff [0,1,0,0,0,1|1,0,1]=4 1192 B15R1.356 Cc1ncsc1CCOCC(=O)C(C)C 36854d35a3e062348874be910fb27e96 [0,1,0,0,0,1|0,0,0]=2 1193 B15R1.356 Cc1ncsc1CCOCC(=O)C(F)F 1b7253827c2fe560b3027144ccfcd641 [0,1,0,0,0,1|1,0,0]=3 1194 B15R1.356 Cc1ncsc1CCOCC(=O)N(C)C decdef6daca25af0dd6ae41614c5239e [0,1,0,0,0,1|1,0,0]=3 1195 B15R1.356 Cc1ncsc1CCOCC(C)C(C)C d3e8c5e13eddbb222060255d28842661 [0,1,0,0,0,1|1,0,1]=4 1196 B15R1.356 Cc1ncsc1CNCCC(=O)N(C)C 1beda431f04d727d27304884ed1e659e [0,1,0,0,0,1|2,0,0]=4 1197 B15R1.356 Cc1ncsc1CNCOC(=O)C(C)C 462125a51ac0023ea33e519cfb7cd654 [0,1,0,0,0,1|0,0,0]=2 1198 B15R1.356 Cc1ncsc1COCCC(=O)N(C)C 42e3f410c75fc3ca8ec40ea0af84ac24 [0,1,0,0,0,1|2,0,0]=4 1199 B15R1.356 Cc1ncsc1COCNC(=O)C(C)C ea84990fff89277f520d0da0658d6368 [0,1,0,0,0,1|1,0,0]=3 1200 B15R1.356 Cc1ncsc1COCOC(=O)C(C)C 1dedbd6c61f0b1e1ec22d86158ad2dee [0,1,0,0,0,1|0,0,0]=2 1201 B15R1.356 Cc1ncsc1NCCCC(=O)N(C)C cd5a984f14a3756efe99392cce4cf9c8 [0,1,0,0,0,1|2,0,0]=4 1202 B15R1.356 Cc1nnsc1CNCOC(=O)C(C)C 3428b940d42fa3fc6bc63982d363611d [0,1,0,0,0,1|1,0,0]=3 1203 B15R1.356 Cc1nnsc1COCNC(=O)C(C)C d591f49a13cef33ed7c11127940b2d40 [0,1,0,0,0,1|2,0,0]=4 1204 B15R1.356 Cc1nnsc1COCOC(=O)C(C)C f1a24e15ea83f1d99a1f4a21ed382833 [0,1,0,0,0,1|1,0,0]=3 1205 B15R1.356 Cc1nocc1CNCOC(=O)C(C)C de2f191ebb52253c2babff238cfbaf68 [0,1,0,0,0,1|2,0,0]=4 1206 B15R1.356 Cc1nonc1CNCOC(=O)C(C)C 75e79a036f000222718b83590efa0c7d [0,1,0,0,0,1|2,0,0]=4 1207 B15R1.356 Cc1nonc1COCOC(=O)C(C)C 6e8fb85a42a4f18bffeec69831e8c54c [0,1,0,0,0,1|2,0,0]=4 1208 B15R1.356 Cc1occc1CNCOC(=O)C(C)C 85056c151323bad722cdc7dec80db142 [0,1,0,0,0,1|2,0,0]=4 1209 B15R1.356 Cc1occc1COCOC(=O)C(C)C 09c89e6ac65dd46a7c8373603b268539 [0,1,0,0,0,1|2,0,0]=4 1210 B15R1.356 Cc1ocnc1CNCOC(=O)C(C)C c420542d07808cee90e5bf81f4d44bfe [0,1,0,0,0,1|2,0,0]=4 1211 B15R1.356 Cc1ocnc1COCOC(=O)C(C)C db3344e4722794202b6a13322bd04eb9 [0,1,0,0,0,1|2,0,0]=4 1212 B15R1.356 Cc1scnc1CCOCC(=O)C(C)C 075ca3a4b46946f802624c257df9a692 [0,1,0,0,0,1|2,0,0]=4 1213 B15R1.356 Cc1scnc1COCOC(=O)C(C)C 6c873332647423b4e3df86097a58a842 [0,1,0,0,0,1|2,0,0]=4 1214 B15R1.742 CCC(=O)/C=C(\C)/OCc1scnc1C 8c1998f1ee7a25e86b6e746bcef699ec [0,1,0,0,0,1|1,0,1]=4 1215 B15R1.742 CNC(=O)CN(C)CCc1scnc1C 900eab691c6f8e79e674fd073595f6fd [0,1,0,0,0,1|2,0,0]=4 1216 B15R1.742 COC(=O)CC(C)CNc1scnc1C b9dd16f477c3a0a7626051d2f62fa2ef [0,1,0,0,0,1|2,0,0]=4 1217 B15R1.742 COC(=O)CC(C)NCc1scnc1C 67f6367c01ce605f22f0a586a6feecea [0,1,0,0,0,1|2,0,0]=4 1218 B15R1.742 COC(=O)CC(O)CNc1scnc1C b121080ff9b0ae522254bd969642fcf2 [0,1,0,0,0,1|2,0,0]=4 1219 B15R1.742 COC(=O)CN(C)CCc1scnc1C 90d8d3dbd6acedc9c40dd8d70b8f79d3 [0,1,0,0,0,1|2,0,0]=4 1220 B15R1.742 COC(=O)C[C@@H](C)NCc1scnc1C 21282cfea05512669bac31631f2564a3 [0,1,0,0,0,1|2,0,0]=4 1221 B15R1.742 COC(=O)C[C@@H](O)CNc1scnc1C c1e98c7f94ff8a1a675ac7648b721660 [0,1,0,0,0,1|2,0,0]=4 1222 B15R1.742 COC(=O)C[C@H](C)NCc1scnc1C 4a35407b70f9d01c692edf7c94a4214e [0,1,0,0,0,1|2,0,0]=4 1223 B15R1.742 COC(=O)C[C@H](O)CNc1scnc1C fde5f5d45ef41335797fe7573306a962 [0,1,0,0,0,1|2,0,0]=4 1224 B15R1.1417 C=C(CC)C(=O)NCCc1scnc1C 973315ff7b316751b1215a35c4ecbd98 [0,1,0,0,0,1|2,0,0]=4 1225 B15R1.1417 C=C(CNCc1scnc1C)C(=O)OC 2577161f0ca3cf405098bdde73cb2071 [0,1,0,0,0,1|2,0,0]=4 1226 B15R1.1417 C=C(COCc1scnc1C)C(=O)OC 961df47b8ea77481a8cbdbf18d4f4d0d [0,1,0,0,0,1|2,0,0]=4 1227 B15R1.1417 CCC(=O)C(=O)NCCc1sccc1C 32f9c4dce62fac14a019ef1538e191f7 [0,1,0,0,0,1|2,0,0]=4 1228 B15R1.1417 CCC(=O)C(=O)NCCc1scnc1C 616143809b11ce1cf9478eea7dd79226 [0,1,0,0,0,1|1,0,0]=3 1229 B15R1.1417 CCC(=O)C(C)NCCc1sccc1C c803c8ae3b752e9521d85db2f9d29ed6 [0,1,0,0,0,1|2,0,0]=4 1230 B15R1.1417 CCC(=O)C(C)NCCc1scnc1C b0542525e353dba9638fca7c4cf25508 [0,1,0,0,0,1|1,0,0]=3 1231 B15R1.1417 CCC(=O)C(C)OCCc1ncsc1C 53181bdff03e44afb4fce03130abdf76 [0,1,0,0,0,1|2,0,0]=4 1232 B15R1.1417 CCC(=O)C(C)OCCc1scnc1C a8e869a526bf65b629c3b50a94052dc2 [0,1,0,0,0,1|0,0,0]=2 1233 B15R1.1417 CCC(=O)C(C)OCCn1ccnc1C c6359f56f440ee2229bcb95cb5730b4b [0,1,0,0,0,1|2,0,0]=4 1234 B15R1.1417 CCC(C)C(C)OCCc1scnc1C 072c29c75acac71d94b69d6d83bc95e1 [0,1,0,0,0,1|1,0,1]=4 1235 B15R1.1417 CNC(=O)C(=O)NCCc1scnc1C 34e5ce1cea0a1c23e6e8d658551396ae [0,1,0,0,0,1|2,0,0]=4 1236 B15R1.1417 CNC(=O)C(C)NCCc1scnc1C daf96104fcc1c87714b477b534f3c4b2 [0,1,0,0,0,1|2,0,0]=4 1237 B15R1.1417 COC(=O)C(=O)CNCc1scnc1C 036afd3f3bcfd66df08a0fab704730eb [0,1,0,0,0,1|2,0,0]=4 1238 B15R1.1417 COC(=O)C(=O)COCc1scnc1C 8cb451ee1e5aaef7e2c13571801295a4 [0,1,0,0,0,1|2,0,0]=4 1239 B15R1.1417 COC(=O)C(=O)NCCc1scnc1C 53f718d2fe3da88c2b1782625902cab4 [0,1,0,0,0,1|2,0,0]=4 1240 B15R1.1417 COC(=O)C(C)CCNc1scnc1C 9eec63cd45a1aa97b58fdedccb35d2fe [0,1,0,0,0,1|2,0,0]=4 1241 B15R1.1417 COC(=O)C(C)CNCc1scnc1C 4c668897b251e5dc55c3e59dc081a71a [0,1,0,0,0,1|2,0,0]=4 1242 B15R1.1417 COC(=O)C(C)COCc1scnc1C 949bf78074761fc45e992908f6e17809 [0,1,0,0,0,1|2,0,0]=4 1243 B15R1.1417 COC(=O)C(C)NCCc1scnc1C 841ec105e10dd64d276655423e399962 [0,1,0,0,0,1|2,0,0]=4 1244 B15R1.1417 COC(=O)C(F)COCc1scnc1C 6c8930b757e9c293c1602f573410390c [0,1,0,0,0,1|2,0,0]=4 1245 B15R1.1417 COC(=O)C(O)CNCc1scnc1C f20cde09328fd3fd0007614644a4e7ec [0,1,0,0,0,1|2,0,0]=4 1246 B15R1.1417 COC(=O)[C@@H](C)CNCc1scnc1C b7732572e43296058dbf15d0c8db68d2 [0,1,0,0,0,1|2,0,0]=4 1247 B15R1.1417 COC(=O)[C@@H](C)COCc1scnc1C 2fda8a567a1a53d52455104637303fc1 [0,1,0,0,0,1|2,0,0]=4 1248 B15R1.1417 COC(=O)[C@@H](C)NCCc1scnc1C 2c85826f61b6e7b5279a78864ad3efb8 [0,1,0,0,0,1|2,0,0]=4 1249 B15R1.1417 COC(=O)[C@H](C)CNCc1scnc1C 1263859bcee9eff97d9a980206f45f58 [0,1,0,0,0,1|2,0,0]=4 1250 B15R1.1417 COC(=O)[C@H](C)COCc1scnc1C d380c86ea9f8b5c913e9b78f9af90525 [0,1,0,0,0,1|2,0,0]=4 1251 B15R1.1417 COC(=O)[C@H](C)NCCc1scnc1C 9dbac10d99364b745ec0f88b140c8b85 [0,1,0,0,0,1|2,0,0]=4 1252 B15R1.1417 Cc1ncsc1CCNC(=O)C(=O)CS 6507841ba2085ab69e7f2ff8acd8d270 [0,1,0,0,0,1|2,0,0]=4 1253 B15R1.3529 CCC(=O)COCCn1ccnc1CC 051d877765dca31fa60de5cb6cb45c23 [0,1,0,0,0,1|2,0,0]=4 1254 B15R1.3529 CCC(=O)NCCNc1sccc1CC e0c0034b86708d0749656dfe7bcb5c7c [0,1,0,0,0,1|2,0,0]=4 1255 B15R1.3529 CCC(=O)NCCNc1sccc1CO 170cf456888c9b374414f18a67a69a46 [0,1,0,0,0,1|2,0,0]=4 1256 B15R1.3529 CCC(=O)NCCNc1scnc1C=O ff2f21f3be681aab6471cbb9d6a188cb [0,1,0,0,0,1|1,0,1]=4 1257 B15R1.3529 CCC(=O)NCCNc1scnc1CO 917d205e31aa26f82c274e98c14ca72b [0,1,0,0,0,1|1,0,0]=3 1258 B15R1.3529 CCC(=O)OCOCc1ccnn1CC aaa5c48f2f0fa0c918ce875b2cf925b9 [0,1,0,0,0,1|2,0,0]=4 1259 B15R1.3529 CCC(=O)OCOCc1ncnn1CC 92b6fe3be6cc03d80146d8737a54237c [0,1,0,0,0,1|2,0,0]=4 1260 B15R1.3529 COC(=O)CCCNc1scnc1CO dc2205196206ef641b4a66c1561c6c05 [0,1,0,0,0,1|2,0,0]=4 1261 B15R1.3529 COC(=O)OCNCc1sccc1OC 4a233a7c68fc93de1498d117c540f414 [0,1,0,0,0,1|2,0,0]=4 1262 B15R1.3857 C#CCC(=O)NCCCc1scnc1C 8c77519433abce0753877323ae98c2e0 [0,1,0,0,0,1|1,0,1]=4 1263 B15R1.3857 C/C=C/C(=O)NCCCc1scnc1C 1c7eb2e1f071d64f9d5e4c6f5b8ed0ac [0,1,0,0,0,1|1,0,1]=4 1264 B15R1.3857 C=CCC(=O)NCCCc1scnc1C d3b9e1b3770990a787b2856a57edff00 [0,1,0,0,0,1|1,0,1]=4 1265 B15R1.3857 C=COC(=O)COCCc1scnc1C 8f635fee02df6c392a05f30e84ffa55e [0,1,0,0,0,1|0,0,2]=4 1266 B15R1.3857 CC#CC(=O)NCCCc1scnc1C f5cdc29033cbb5edacbc5961b278489e [0,1,0,0,0,1|1,0,1]=4 1267 B15R1.3857 CCCC(=O)CNCCc1sccc1C 3522915d72fdd798d8e9baee34709a68 [0,1,0,0,0,1|2,0,0]=4 1268 B15R1.3857 CCCC(=O)CNCCc1scnc1C 7b1f173d5f0f9d22c81b1a607baebf6d [0,1,0,0,0,1|1,0,0]=3 1269 B15R1.3857 CCCC(=O)COCCc1ncsc1C 5ce7a5ebf6eb0b163d02660c0c5d8c6b [0,1,0,0,0,1|2,0,0]=4 1270 B15R1.3857 CCCC(=O)COCCc1scnc1C 8272d777af6af2237426bd52ea1662e3 [0,1,0,0,0,1|0,0,0]=2 1271 B15R1.3857 CCCC(=O)COCCn1ccnc1C 3fba747d83fa9353cf4122ef4ecf0b6c [0,1,0,0,0,1|2,0,0]=4 1272 B15R1.3857 CCCC(=O)NCCCc1scnc1C 96b10b19eedf2ce45f990327aabeaec6 [0,1,0,0,0,1|1,0,0]=3 1273 B15R1.3857 CCCC(=O)OCNCc1nc[nH]c1C 2ecc2206170b0f78887daab3b634e18f [0,1,0,0,0,1|1,0,1]=4 1274 B15R1.3857 CCCC(=O)OCNCc1ncnn1C 9f2db55177dae889f43510b4ae41b2b4 [0,1,0,0,0,1|2,0,0]=4 1275 B15R1.3857 CCCC(=O)OCNCc1nonc1C b477e6902e5ccb98d5110d3860b03b2d [0,1,0,0,0,1|2,0,0]=4 1276 B15R1.3857 CCCC(=O)OCNCc1sccc1Cl d1a8aff876b68a15277e2d388a6b8190 [0,1,0,0,0,1|2,0,0]=4 1277 B15R1.3857 CCCC(=O)OCNCc1scnc1Br 184da17361de4ac62d864af0949f890d [0,1,0,0,0,1|1,0,0]=3 1278 B15R1.3857 CCCC(=O)OCNCc1scnc1C 36434c73f734c4e485fc000698da7157 [0,1,0,0,0,1|0,0,0]=2 1279 B15R1.3857 CCCC(=O)OCOCc1c[nH]nc1C e52a93d21c1fafb499619d8eef2d06cc [0,1,0,0,0,1|2,0,0]=4 1280 B15R1.3857 CCCC(=O)OCOCc1ccnn1C fd26ae00c09eb57920bde2c3cf343605 [0,1,0,0,0,1|2,0,0]=4 1281 B15R1.3857 CCCC(=O)OCOCc1ccoc1C 51d65f43d169e1abe732a052c02e0082 [0,1,0,0,0,1|2,0,0]=4 1282 B15R1.3857 CCCC(=O)OCOCc1ncnn1C da7ea39ad022f4849c7df17909ded695 [0,1,0,0,0,1|2,0,0]=4 1283 B15R1.3857 CCCC(=O)OCOCc1nonc1C 1fe986368acca706fdc2999204922d72 [0,1,0,0,0,1|2,0,0]=4 1284 B15R1.3857 CCCC(=O)OCOCc1occc1C 2f56ff0383927cf4cd7ae49d0fadc5b1 [0,1,0,0,0,1|1,1,0]=4 1285 B15R1.3857 CCCC(=O)OCOCc1ocnc1C 183d0282372c4b1f0052def5e43aead5 [0,1,0,0,0,1|0,1,0]=3 1286 B15R1.3857 CCCC(=O)OCOCc1snnc1C 20e9487ae14b3abbe90d9842b7ccd602 [0,1,0,0,0,1|1,0,0]=3 1287 B15R1.3857 CCCC(C)COCCc1scnc1C 363256a93d5752a9b728670fb01fb17a [0,1,0,0,0,1|1,0,1]=4 1288 B15R1.3857 CCCC(C)OCCCc1scnc1C a189b994206d2673ecb025e7229cba51 [0,1,0,0,0,1|1,0,1]=4 1289 B15R1.3857 CCNC(=O)CCNCc1scnc1Br d626068c3f9d7c94c819f7216b18922d [0,1,0,0,0,1|2,0,0]=4 1290 B15R1.3857 CCNC(=O)CCNCc1scnc1C 59e28b212a5d1e2138ba7887d9d1a5ed [0,1,0,0,0,1|1,0,0]=3 1291 B15R1.3857 CCNC(=O)CCNCc1snnc1C 62c714e9fcb0bea9820042ff7695d7f5 [0,1,0,0,0,1|2,0,0]=4 1292 B15R1.3857 CCNC(=O)CCOCc1ocnc1C 95ad7233bfea2db6e2e88b721df086de [0,1,0,0,0,1|1,1,0]=4 1293 B15R1.3857 CCNC(=O)CCOCc1sccc1C 1b5a073db1fd4d28ee25033025492161 [0,1,0,0,0,1|2,0,0]=4 1294 B15R1.3857 CCNC(=O)CCOCc1scnc1Br 3b11d20e9efd7a4ae3efa9f99822eb6e [0,1,0,0,0,1|2,0,0]=4 1295 B15R1.3857 CCNC(=O)CCOCc1scnc1C 3febb879eab9aef5623ac45146be8094 [0,1,0,0,0,1|1,0,0]=3 1296 B15R1.3857 CCNC(=O)CCOCc1scnc1Cl a01de99781cfccdba6a735380081763b [0,1,0,0,0,1|2,0,0]=4 1297 B15R1.3857 CCNC(=O)CCOCc1snnc1C cc08670d4f98891dec8361a52ddfdddf [0,1,0,0,0,1|2,0,0]=4 1298 B15R1.3857 CCNC(=O)CNCCc1sccc1C b567994de48987cb1f0ffe9a1baf6d25 [0,1,0,0,0,1|2,0,0]=4 1299 B15R1.3857 CCNC(=O)CNCCc1scnc1C 299cb1f5e2ff2bba12c38477571d6202 [0,1,0,0,0,1|1,0,0]=3 1300 B15R1.3857 CCNC(=O)COCCc1ncsc1C 7b77d9dfcb0645240d4b1a337f6e53f9 [0,1,0,0,0,1|2,0,0]=4 1301 B15R1.3857 CCNC(=O)COCCc1sccc1Br 55a7ef2c88cd5f3992550a89be79c59b [0,1,0,0,0,1|2,0,0]=4 1302 B15R1.3857 CCNC(=O)COCCc1scnc1C c6cd9f528f22e53436bfb73d96e39825 [0,1,0,0,0,1|0,0,0]=2 1303 B15R1.3857 CCNC(=O)COCCn1ccnc1C 8f016967d739eeb52a86143fe7da86bc [0,1,0,0,0,1|2,0,0]=4 1304 B15R1.3857 CCOC(=O)/C=C/CNc1scnc1C b78bfa6993f916d87a7022564f0345a1 [0,1,0,0,0,1|1,0,1]=4 1305 B15R1.3857 CCOC(=O)C=CCNc1scnc1C 62efd9f75a471bb945b1358e74473785 [0,1,0,0,0,1|1,0,1]=4 1306 B15R1.3857 CCOC(=O)CCCNc1sccc1C e0c70521d437f2a2d11e8fdd2eb507b4 [0,1,0,0,0,1|2,0,0]=4 1307 B15R1.3857 CCOC(=O)CCCNc1scnc1C 2a0ab15f0b0cb9eb27a261acff714f1b [0,1,0,0,0,1|1,0,0]=3 1308 B15R1.3857 CCOC(=O)CCCNc1snnc1C d8d59a92c5f9e0d0da9c6655f8934124 [0,1,0,0,0,1|2,0,0]=4 1309 B15R1.3857 CCOC(=O)CCNCc1scnc1Br 7f5994d5a504b72aafa8be01b587ee3f [0,1,0,0,0,1|2,0,0]=4 1310 B15R1.3857 CCOC(=O)CCNCc1scnc1C 304581a9aa55377e02a0b9b83379744b [0,1,0,0,0,1|1,0,0]=3 1311 B15R1.3857 CCOC(=O)CCNCc1scnc1Cl fec8f12d46ceaa657ba1d5607786150e [0,1,0,0,0,1|2,0,0]=4 1312 B15R1.3857 CCOC(=O)CCNCc1snnc1C cb3b09e87fd4f6188a4d2f4c12dbe869 [0,1,0,0,0,1|2,0,0]=4 1313 B15R1.3857 CCOC(=O)CCOCc1ocnc1C 1c6b2e6102d94a46bd2bc405fc57b586 [0,1,0,0,0,1|1,1,0]=4 1314 B15R1.3857 CCOC(=O)CCOCc1scnc1C 0a1177eb2fac68156fae38fdf2228d19 [0,1,0,0,0,1|1,0,0]=3 1315 B15R1.3857 CCOC(=O)CCOCc1scnc1Cl fd97460c9c6854f2009c84d5759462a4 [0,1,0,0,0,1|2,0,0]=4 1316 B15R1.3857 CCOC(=O)CCOCc1snnc1C 0a52df0c4134485f7718481f3a96ba0c [0,1,0,0,0,1|2,0,0]=4 1317 B15R1.3857 CCOC(=O)CNCCc1sccc1C 6b18928a80ba788d30c3a774ff7e1ecd [0,1,0,0,0,1|2,0,0]=4 1318 B15R1.3857 CCOC(=O)CNCCc1scnc1C a66b8df0a84c7dab7acca6b908a5c3a6 [0,1,0,0,0,1|1,0,0]=3 1319 B15R1.3857 CCOC(=O)COCCc1ncsc1C 62d03ca4eedb0da896cb84dd2477321f [0,1,0,0,0,1|2,0,0]=4 1320 B15R1.3857 CCOC(=O)COCCc1scnc1C 6c16d11b89aa57c294be13b5c1c15ad6 [0,1,0,0,0,1|0,0,0]=2 1321 B15R1.3857 CCOC(=O)COCCn1ccnc1C b35d67445b3ed87d91b0d998c1895e4e [0,1,0,0,0,1|2,0,0]=4 1322 B15R1.3857 CCOC(=O)OCNCc1ccnn1C 25c0952912bc73cc085bdc146756b38c [0,1,0,0,0,1|2,0,0]=4 1323 B15R1.3857 CCOC(=O)OCNCc1ccoc1C 4001f230ef3b572f50bab74ef0950710 [0,1,0,0,0,1|2,0,0]=4 1324 B15R1.3857 CCOC(=O)OCNCc1conc1C be56b8be64b8ff934d6f71a33d2f2cc9 [0,1,0,0,0,1|2,0,0]=4 1325 B15R1.3857 CCOC(=O)OCNCc1nc[nH]c1C 1b6151fa9dcbd0f1eb0a972254866f96 [0,1,0,0,0,1|1,0,1]=4 1326 B15R1.3857 CCOC(=O)OCNCc1ncnn1C 0c5de02881a854aab5c96dc169f5fc01 [0,1,0,0,0,1|2,0,0]=4 1327 B15R1.3857 CCOC(=O)OCNCc1ncoc1C 5612de05f1d7c75f2f711998ff73560b [0,1,0,0,0,1|2,0,0]=4 1328 B15R1.3857 CCOC(=O)OCNCc1nonc1C 9c0793b63435b06d5af3d6a1ae47a818 [0,1,0,0,0,1|2,0,0]=4 1329 B15R1.3857 CCOC(=O)OCNCc1occc1C 4e166b46d5d16d53c3a899efde09b33c [0,1,0,0,0,1|1,1,0]=4 1330 B15R1.3857 CCOC(=O)OCNCc1sccc1Cl e2b97437e7869f57d00ba0c9d588255a [0,1,0,0,0,1|2,0,0]=4 1331 B15R1.3857 CCOC(=O)OCNCc1sccc1F 287a1206b313170e9488eb397a9fbdda [0,1,0,0,0,1|2,0,0]=4 1332 B15R1.3857 CCOC(=O)OCNCc1scnc1Br ec203904c44c796e0992e5e7eade71f2 [0,1,0,0,0,1|1,0,0]=3 1333 B15R1.3857 CCOC(=O)OCNCc1scnc1C 268d5e45ab5d7d611f79f2d3bbc23e1f [0,1,0,0,0,1|0,0,0]=2 1334 B15R1.3857 CCOC(=O)OCNCc1snnc1C f5aea44f7be136448752eb06f5edc79d [0,1,0,0,0,1|1,0,0]=3 1335 B15R1.3857 CCOC(=O)OCOCc1c[nH]nc1C 585dc506953a8836610dd72e8626df78 [0,1,0,0,0,1|2,0,0]=4 1336 B15R1.3857 CCOC(=O)OCOCc1ccnn1C dfc85a62f6e217242dc700c84bd9c176 [0,1,0,0,0,1|2,0,0]=4 1337 B15R1.3857 CCOC(=O)OCOCc1ccoc1C 82b79602c358c196500b4a63219a9ba3 [0,1,0,0,0,1|2,0,0]=4 1338 B15R1.3857 CCOC(=O)OCOCc1ncnn1C f603d4f2467c264d4b45f6d0db39e1a7 [0,1,0,0,0,1|2,0,0]=4 1339 B15R1.3857 CCOC(=O)OCOCc1ncoc1C d88f77ffd16802aab2df3c48b9d40ed7 [0,1,0,0,0,1|2,0,0]=4 1340 B15R1.3857 CCOC(=O)OCOCc1nonc1C 4d7c649ade6d2d467199d82b1f251ad5 [0,1,0,0,0,1|2,0,0]=4 1341 B15R1.3857 CCOC(=O)OCOCc1occc1C 24984cefc1a622439a5ce908ddc4d1d1 [0,1,0,0,0,1|1,1,0]=4 1342 B15R1.3857 CCOC(=O)OCOCc1ocnc1C 6b5d2ea4f7f3118aba1911211e3df698 [0,1,0,0,0,1|0,1,0]=3 1343 B15R1.3857 CCOC(=O)OCOCc1sccc1C 46f040d895c4cc40633ca5a4c788cca0 [0,1,0,0,0,1|1,0,0]=3 1344 B15R1.3857 CCOC(=O)OCOCc1sccc1Cl 6035e44aa82dce2880781ec4542e5be1 [0,1,0,0,0,1|2,0,0]=4 1345 B15R1.3857 CCOC(=O)OCOCc1scnc1Br 38585ceb086ff2ebb6d0ef56fb394f6a [0,1,0,0,0,1|1,0,0]=3 1346 B15R1.3857 CCOC(=O)OCOCc1snnc1C 9afd48c68635bea2c527f0ecdc2f5c02 [0,1,0,0,0,1|1,0,0]=3 1347 B15R1.3857 CCOC(C)COCCc1scnc1C d24ff730b19c879a95f10e8f91188fab [0,1,0,0,0,1|1,0,1]=4 1348 B15R1.3857 CCSC(=O)OCNCc1ccnn1C 5ec2dfb014c9d20943519151edf41bbd [0,1,0,0,0,1|2,0,0]=4 1349 B15R1.3857 CCSC(=O)OCNCc1ccoc1C 52112dad51ab33754c791295d5879ec5 [0,1,0,0,0,1|2,0,0]=4 1350 B15R1.3857 CCSC(=O)OCNCc1conc1C afdea9719b4a1f029c9a99ad092a6da6 [0,1,0,0,0,1|2,0,0]=4 1351 B15R1.3857 CCSC(=O)OCNCc1nc[nH]c1C 801269454459af626cffcbd966e86290 [0,1,0,0,0,1|1,0,1]=4 1352 B15R1.3857 CCSC(=O)OCNCc1ncnn1C 24c3466aa13d6a78cf119aa67224f983 [0,1,0,0,0,1|2,0,0]=4 1353 B15R1.3857 CCSC(=O)OCNCc1ncoc1C cb3585c70334863c59574650a0ca39cc [0,1,0,0,0,1|2,0,0]=4 1354 B15R1.3857 CCSC(=O)OCNCc1nonc1C 31262796fcec63d7cf134128bf605aa1 [0,1,0,0,0,1|2,0,0]=4 1355 B15R1.3857 CCSC(=O)OCNCc1occc1C f9847e548ad4d70089c5048ad247aa70 [0,1,0,0,0,1|1,1,0]=4 1356 B15R1.3857 CCSC(=O)OCNCc1sccc1Cl 663018f4f8afa43ad0bac9e12ad210b5 [0,1,0,0,0,1|2,0,0]=4 1357 B15R1.3857 CCSC(=O)OCNCc1sccc1F 54df715ba2e9c879347b995178787075 [0,1,0,0,0,1|2,0,0]=4 1358 B15R1.3857 CCSC(=O)OCNCc1scnc1Br 8a8c25b156ce0602cbe6f21721796774 [0,1,0,0,0,1|1,0,0]=3 1359 B15R1.3857 CCSC(=O)OCNCc1scnc1C 0e13a9eb3836b94e31bf48263b3d2388 [0,1,0,0,0,1|0,0,0]=2 1360 B15R1.3857 CCSC(=O)OCNCc1snnc1C 9dd503bcc1899eee18415eba9e3eebca [0,1,0,0,0,1|1,0,0]=3 1361 B15R1.3857 CCSC(=O)OCOCc1c[nH]nc1C e520cd1cab47d8a5da5a388848f9825c [0,1,0,0,0,1|2,0,0]=4 1362 B15R1.3857 CCSC(=O)OCOCc1ccnn1C 229e8c5977a8c68e3285aad9fad8ddd2 [0,1,0,0,0,1|2,0,0]=4 1363 B15R1.3857 CCSC(=O)OCOCc1ccoc1C acbb45f1f9ca4facd7ab77a298507068 [0,1,0,0,0,1|2,0,0]=4 1364 B15R1.3857 CCSC(=O)OCOCc1nc[nH]c1C 693e670ffb3798c26587fc9dfce8234b [0,1,0,0,0,1|1,0,1]=4 1365 B15R1.3857 CCSC(=O)OCOCc1ncnn1C ecf2da92f46a5bb36c27dc7da87460bd [0,1,0,0,0,1|2,0,0]=4 1366 B15R1.3857 CCSC(=O)OCOCc1ncoc1C 4f468b5797e230a06ef4b80ad40a3fc7 [0,1,0,0,0,1|2,0,0]=4 1367 B15R1.3857 CCSC(=O)OCOCc1nonc1C 976c7b7f86b6862b64ed0649b36d4cdd [0,1,0,0,0,1|2,0,0]=4 1368 B15R1.3857 CCSC(=O)OCOCc1occc1C 363663af45a8278f0fa84b11d790df9a [0,1,0,0,0,1|1,1,0]=4 1369 B15R1.3857 CCSC(=O)OCOCc1ocnc1C a2f1143ec4cb3d1c7b36fe22435eb549 [0,1,0,0,0,1|0,1,0]=3 1370 B15R1.3857 CCSC(=O)OCOCc1sccc1Cl 0e2962d064dcc28a0741a60b33d8c72c [0,1,0,0,0,1|2,0,0]=4 1371 B15R1.3857 CCSC(=O)OCOCc1scnc1Br 0cb2a472e6ccc2a1ac1a55fffc655b35 [0,1,0,0,0,1|1,0,0]=3 1372 B15R1.3857 CCSC(=O)OCOCc1snnc1C 76632ab93fa9d8aa059c05a79da96b5e [0,1,0,0,0,1|1,0,0]=3 1373 B15R1.3857 COCC(=O)COCCn1ccnc1C 315e714ac83e093f3930bb1e536b3118 [0,1,0,0,0,1|2,0,0]=4 1374 B15R1.3857 COCC(=O)NCCCc1scnc1C ef27489bbf1dc22dcd6b479012e5a214 [0,1,0,0,0,1|1,0,0]=3 1375 B15R1.3857 COCC(C)COCCc1scnc1C a55c6f386a3cf2787d77444040c3b65b [0,1,0,0,0,1|1,0,1]=4 1376 B15R1.3857 COCC(C)OCCCc1scnc1C 98fe35955f9847c9a414da695c8c86de [0,1,0,0,0,1|1,0,1]=4 1377 B15R1.3857 COC[C@H](C)COCCc1scnc1C f6152cd684db0d3043074e96a80e0617 [0,1,0,0,0,1|1,0,1]=4 1378 B15R1.3857 CSCC(=O)NCCCc1scnc1C 4ed566675804ae957c18bdb25b24f848 [0,1,0,0,0,1|1,0,0]=3 1379 B15R1.3857 Cc1ncsc1CCCNC(=O)CC#N 1fc400e17bc60db844015bdc2c23d4a4 [0,1,0,0,0,1|1,0,1]=4 1380 B15R1.3857 Cc1ncsc1CCCNC(=O)CC=O 286b0f6cc2f914c49b3f6f7aed3beee0 [0,1,0,0,0,1|1,0,1]=4 1381 B15R1.3857 Cc1ncsc1CCCNC(=O)CCF 8d078c19e6e9073d9ed496c1caf983b0 [0,1,0,0,0,1|1,0,0]=3 1382 B15R1.3857 Cc1ncsc1CCCNC(=O)CCO 600a73dd113f34d0c657745e9bb19e7a [0,1,0,0,0,1|1,0,0]=3 1383 B15R1.3857 Cc1ncsc1CCCNC(=O)CCS b6df05ead65f2a9bc91c0065644a0aef [0,1,0,0,0,1|1,0,0]=3 1384 B15R1.3857 Cc1ncsc1CCCNC(=O)CON 4bca4ceda6e65520a51198c6efc8d668 [0,1,0,0,0,1|2,0,0]=4 1385 B15R1.3857 Cc1ncsc1CCNCC(=O)NCO 915430d745b92515abecec4fe9abf11f [0,1,0,0,0,1|2,0,0]=4 1386 B15R1.3857 Cc1ncsc1CCOC[C@@H](O)CCO ddec604938bf4323dff9f98a96cd3f20 [0,1,0,0,0,1|0,0,2]=4 1387 B15R1.5820 CCC(=O)CCC(=O)Nc1scnc1C f4d353e23861992ec8dac8eb77607dc7 [0,1,0,0,0,1|1,0,1]=4 1388 B15R1.5820 CCC(=O)NCC(=O)Nc1scnc1C 532b2c9861a034ccdfdd60851eaef347 [0,1,0,0,0,1|1,0,1]=4 1389 B15R1.5820 CCC(=O)OCN(C)Cc1ccnn1C ffe5c7ee7cac92122814680165574cc0 [0,1,0,0,0,1|2,0,0]=4 1390 B15R1.5820 CCC(=O)OCN(C)Cc1ccoc1C 2e882102313b514bc4fc711a930085a5 [0,1,0,0,0,1|2,0,0]=4 1391 B15R1.5820 CCC(=O)OCN(C)Cc1nonc1C 0cc7dad2bdea4ea7e8190861dfdaba03 [0,1,0,0,0,1|2,0,0]=4 1392 B15R1.5820 CCC(=O)OCN(C)Cc1scnc1C 5c4f708a368e8c6ffc55d9196487c141 [0,1,0,0,0,1|0,0,0]=2 1393 B15R1.5820 CCC(=O)OCN(C)Cc1snnc1C bfa8a134b38ec6b5bfe0427156e242a0 [0,1,0,0,0,1|1,0,0]=3 1394 B15R1.5820 CCS(=O)CCN(C)Cc1scnc1C 022b3d692113284b10face163cd266f3 [0,1,0,0,0,1|2,0,0]=4 1395 B15R1.5820 CNC(=O)CCN(C)Cc1scnc1C 3118d816ac570ae8785d5400b64e7c75 [0,1,0,0,0,1|2,0,0]=4 1396 B15R1.5820 COC(=O)CCC(C)Nc1scnc1C a6a5992273b181a795ec6d1718cc37fe [0,1,0,0,0,1|2,0,0]=4 1397 B15R1.5820 COC(=O)CCN(C)Cc1scnc1C 9b1434bb6ad1f9685bc3dc21e11e7f88 [0,1,0,0,0,1|2,0,0]=4 1398 B15R1.5820 COC(=O)OCN(C)Cc1scnc1C 38819800df1f200e76a7c3d0e09f12f1 [0,1,0,0,0,1|1,0,0]=3 1399 B15R1.5820 COC(=O)OCN(C)Cc1snnc1C 69969bc146845adee32d392cd5dbe46c [0,1,0,0,0,1|2,0,0]=4 1400 B15R1.7740 CCC(F)(F)COCCc1scnc1C ceb44885703c21c35bb79f7e6cbe2864 [0,1,0,0,0,1|1,0,1]=4 1401 B15R1.7740 CCS(=O)(=O)CCNCc1scnc1C 20b47f2e9aeeda138aff2b158324d5ab [0,1,0,0,0,1|2,0,0]=4 1402 B15R1.7740 CCS(=O)(=O)CCOCc1scnc1C 8267a2e2e35ba20cb282f492a60c1b94 [0,1,0,0,0,1|2,0,0]=4 1403 B15R1.7740 CNS(=O)(=O)COCCc1scnc1C c4151202868373bbcd3d116270fb2117 [0,1,0,0,0,1|2,0,0]=4 1404 B15R1.10057 CCC(C=O)NCCCc1scnc1C 84993412b5e014ecc17b61fa73297e64 [0,1,0,0,0,1|1,0,1]=4 1405 B15R1.10057 CCC(C=O)OCCCc1scnc1C 60e75965c09303a0e239554e1b116f18 [0,1,0,0,0,1|0,0,1]=3 1406 B15R1.10057 CCC(CC)COCCc1scnc1C 187b88b2481c3f8610e3e68cf1c85e6d [0,1,0,0,0,1|1,0,1]=4 1407 B15R1.10057 CCC(CC)OCCCc1scnc1C bbc5e6d84f5cab94b37092fc2176c023 [0,1,0,0,0,1|1,0,1]=4 1408 B15R1.10057 CCC(COCCc1scnc1C)OC 80ed5f2d910408ce2f020983c73ed9cc [0,1,0,0,0,1|0,0,2]=4 1409 B15R1.10057 CCN(CC)COCCc1scnc1C 42ad1a87794d792784b191c222f6a7b1 [0,1,0,0,0,1|2,0,0]=4 1410 B15R1.11445 CCC(=O)OCOCc1ncn(c1C)C 7d298d043e948dc85f993085f60302cd [0,1,0,0,0,1|1,0,1]=4 1411 B15R1.11445 CCC(=O)OCOCc1scc(c1Cl)C 6af1e976c81865afb3b897f13420a7ab [0,1,0,0,0,1|2,0,0]=4 1412 B15R1.11505 C=C(CC)CNCCc1sc(nc1C)C 37df147f9111d78f19c6d42f3f8493e5 [0,1,0,0,0,1|2,0,0]=4 1413 B15R1.11505 C=C(CC)COCCc1sc(nc1C)C b72845728593163ced9e4d8a487cd831 [0,1,0,0,0,1|1,0,0]=3 1414 B15R1.11505 C=C(COCCc1sc(nc1C)C)OC 4558d4ed2f8c91056ecbffbec77e4413 [0,1,0,0,0,1|2,0,0]=4 1415 B15R1.11505 CCC(=O)CNCCc1sc(nc1C)C 54c6a14badd348db91b0937b1b7a6482 [0,1,0,0,0,1|1,0,0]=3 1416 B15R1.11505 CCC(=O)COCCc1nc(sc1C)Br b57beeab4097df551ff77a0e37dd8846 [0,1,0,0,0,1|2,0,0]=4 1417 B15R1.11505 CCC(=O)COCCc1sc(nc1C)C dafec13da86323770781a6310dc0cd25 [0,1,0,0,0,1|0,0,0]=2 1418 B15R1.11505 CCC(=O)COCCn1nc(nc1C)C 158b603c5c91b097f49b99541cbdee65 [0,1,0,0,0,1|2,0,0]=4 1419 B15R1.11505 CCC(=O)NCCNc1oc(nc1C)C e3a9329c1680d4e669afd6970bbd1ace [0,1,0,0,0,1|1,1,0]=4 1420 B15R1.11505 CCC(=O)NCCNc1sc(nc1C)C 05c2821b04475caea58f3778d806200c [0,1,0,0,0,1|1,0,0]=3 1421 B15R1.11505 CCC(=O)NCCNc1sc(nc1C)N 33fe11b338ccdab31b7dedb758b70cbb [0,1,0,0,0,1|1,0,0]=3 1422 B15R1.11505 CCC(=O)OCNCc1cn(nc1C)C d39845866f27ed6f87f0959fc3d07372 [0,1,0,0,0,1|2,0,0]=4 1423 B15R1.11505 CCC(=O)OCNCc1nc(oc1C)C 7d8056e05a44d48e9926071511877547 [0,1,0,0,0,1|2,0,0]=4 1424 B15R1.11505 CCC(=O)OCNCc1oc(nc1C)C 57e566e69e2b67ef9db611da9bfb61d3 [0,1,0,0,0,1|0,1,0]=3 1425 B15R1.11505 CCC(=O)OCOCc1cc(nn1C)C 450e5dd8644a24510910a80324448ba5 [0,1,0,0,0,1|2,0,0]=4 1426 B15R1.11505 CCC(=O)OCOCc1cc(oc1C)C 0e575fbe264906eacb02e63faedd393f [0,1,0,0,0,1|2,0,0]=4 1427 B15R1.11505 CCC(=O)OCOCc1cn(nc1C)C d8911b738a57d0c15dbad941308046cc [0,1,0,0,0,1|2,0,0]=4 1428 B15R1.11505 CCC(=O)OCOCc1nc([nH]c1C)C c9bb1105bf84acf6162ae96da5e79049 [0,1,0,0,0,1|1,0,1]=4 1429 B15R1.11505 CCC(=O)OCOCc1nc(nn1C)Br 5701cba4a723c652a40f82e09b9d6eda [0,1,0,0,0,1|2,0,0]=4 1430 B15R1.11505 CCC(=O)OCOCc1nc(nn1C)C 7c1a18aabd11dfeedb5ce36fab45a866 [0,1,0,0,0,1|2,0,0]=4 1431 B15R1.11505 CCC(=O)OCOCc1nc(nn1C)Cl 9e7a094f7cb21387a21f183b7148a0dd [0,1,0,0,0,1|2,0,0]=4 1432 B15R1.11505 CCC(=O)OCOCc1nc(oc1C)Br 15f233a7a8ebd9b3aa5cd1dacfa6706a [0,1,0,0,0,1|2,0,0]=4 1433 B15R1.11505 CCC(=O)OCOCc1nc(oc1C)C 16521c987b8b434f1b5a682f10ec3ff9 [0,1,0,0,0,1|2,0,0]=4 1434 B15R1.11505 CCC(=O)OCOCc1nc(sc1C)Br 6e630ed6969249be038a0e2ccfdcac64 [0,1,0,0,0,1|2,0,0]=4 1435 B15R1.11505 CCC(=O)OCOCc1nc(sc1C)C de616ea2fb856d533afd3c78d6ea61f8 [0,1,0,0,0,1|2,0,0]=4 1436 B15R1.11505 CCC(=O)OCOCc1oc(=O)oc1C f7b324b9723c636a432b5a78eccf8f88 [0,1,0,0,0,1|1,1,0]=4 1437 B15R1.11505 CCC(=O)OCOCc1oc(nc1C)C e73033eaad6f979e1fa59f81dd0ea068 [0,1,0,0,0,1|0,1,0]=3 1438 B15R1.11505 CCC(C)COCCc1sc(nc1C)C 1ef296fb88717f4c02b1c6ab50a231b3 [0,1,0,0,0,1|1,0,1]=4 1439 B15R1.11505 CCS(=O)CCNCc1sc(nc1C)Br 6772f88e26aab9afcdca667bc20ca367 [0,1,0,0,0,1|2,0,0]=4 1440 B15R1.11505 CCS(=O)CCNCc1sc(nc1C)C 6eda371ac067b33af6bf4da74a22e5aa [0,1,0,0,0,1|2,0,0]=4 1441 B15R1.11505 CC[C@@H](C)COCCc1sc(nc1C)C 1cd051bdb969adb05e0d17a23362e759 [0,1,0,0,0,1|1,0,1]=4 1442 B15R1.11505 CC[C@H](C)COCCc1sc(nc1C)C 53a25e4046715194eabac9ce0c78a23f [0,1,0,0,0,1|1,0,1]=4 1443 B15R1.11505 CNC(=O)CCNCc1sc(nc1C)Br b9c8f09d663dfdcf7e2a1be62bd6aad9 [0,1,0,0,0,1|2,0,0]=4 1444 B15R1.11505 CNC(=O)CCNCc1sc(nc1C)C 8560e7b233753385f5357cd37f2e4016 [0,1,0,0,0,1|2,0,0]=4 1445 B15R1.11505 CNC(=O)CCOCc1sc(nc1C)C 945382eb7aa84931e3f9d6763c21ae91 [0,1,0,0,0,1|2,0,0]=4 1446 B15R1.11505 CNC(=O)CNCCc1sc(nc1C)C f8fdec5910ecc1a32242c51c28f05526 [0,1,0,0,0,1|2,0,0]=4 1447 B15R1.11505 COC(=O)CCCNc1sc(nc1C)C b1f8b1972c815edebe37aa8411b828f1 [0,1,0,0,0,1|2,0,0]=4 1448 B15R1.11505 COC(=O)CCCNc1sc(nc1C)N c6ae37a1286d1ee03c9a17b00b46567e [0,1,0,0,0,1|2,0,0]=4 1449 B15R1.11505 COC(=O)CCNCc1sc(nc1C)Br 623caa3e01d5fc514cf2930b43fddf6e [0,1,0,0,0,1|2,0,0]=4 1450 B15R1.11505 COC(=O)CCNCc1sc(nc1C)C 8b41c795727f918697a8b7c83db9b5d8 [0,1,0,0,0,1|2,0,0]=4 1451 B15R1.11505 COC(=O)CNCCc1sc(nc1C)C 8d49e0ddb18da365f4f7c15722869ed7 [0,1,0,0,0,1|2,0,0]=4 1452 B15R1.11505 COC(=O)COCCc1sc(nc1C)C c23226b15d4b6d335fb31f7eba5812bd [0,1,0,0,0,1|1,0,0]=3 1453 B15R1.11505 COC(=O)OCNCc1oc(nc1C)C d31fe85c1fe850680d4771030e5f4da4 [0,1,0,0,0,1|1,1,0]=4 1454 B15R1.11505 COC(=O)OCNCc1sc(nc1C)Br 75be15154d424b05959890f3ce665848 [0,1,0,0,0,1|1,0,0]=3 1455 B15R1.11505 COC(=O)OCNCc1sc(nc1C)C 1d73eacca4e985c74047a374363d03ed [0,1,0,0,0,1|1,0,0]=3 1456 B15R1.11505 COC(=O)OCOCc1oc(nc1C)C 5673e4dc760e1347016426b9665c2641 [0,1,0,0,0,1|1,1,0]=4 1457 B15R1.11505 Cc1nc(c(s1)CCNCC(=O)CO)C 21b9991bc91020378c824b9fe86c3ca4 [0,1,0,0,0,1|2,0,0]=4 1458 B15R1.11550 CCC(=O)COCC(C)n1ccnc1C 1da1d33c76d2ba71283b81a44e813eab [0,1,0,0,0,1|2,0,0]=4 1459 B15R1.11550 CCC(=O)OCNC(C)c1ccnn1C 5b7a344ac68de10168cd3080ab2e3c2e [0,1,0,0,0,1|2,0,0]=4 1460 B15R1.11550 CCC(=O)OCNC(C)c1ncnn1C 43e06cebabfe7a6e6f6c4d57733756ac [0,1,0,0,0,1|2,0,0]=4 1461 B15R1.11550 CCC(=O)OCOC(C)c1c[nH]nc1C 318647dd14cd39f312ea02ca3fd5c6ea [0,1,0,0,0,1|2,0,0]=4 1462 B15R1.11550 CCC(=O)OCOC(C)c1ccnn1C ca20dc2b30fb0b15acc0a87aa8c38b0d [0,1,0,0,0,1|2,0,0]=4 1463 B15R1.11550 CCS(=O)CCOC(C)c1scnc1C e0838c68fc39478d78d8eff5fc592f4f [0,1,0,0,0,1|2,0,0]=4 1464 B15R1.11550 CNC(=O)CCOC(C)c1scnc1C cafd18bd8d8035eb9a1a573a555ec80b [0,1,0,0,0,1|2,0,0]=4 1465 B15R1.11550 COC(=O)CCOC(C)c1scnc1C e5816da6143b746ac403fab249f50452 [0,1,0,0,0,1|2,0,0]=4 1466 B15R1.16254 CCC(=O)COCCc1c(n[nH]c1C)C f267c3351cb0fad7f163a01a23d3d450 [0,1,0,0,0,1|2,0,0]=4 1467 B15R1.16254 CCC(=O)COCCc1c(noc1C)C d8c7507bfe4c9bc66284af4b0caee93b [0,1,0,0,0,1|2,0,0]=4 1468 B15R1.16254 CCC(=O)OCNCc1c(noc1C)C f6a43fb26548ba14d715c1ad0098a005 [0,1,0,0,0,1|2,0,0]=4 1469 B15R1.16254 CCC(=O)OCOCc1c(cnn1C)C 3bd3f3690c6446eda3fa26bfd7261595 [0,1,0,0,0,1|2,0,0]=4 1470 B15R1.16254 CCC(=O)OCOCc1c(cnn1C)I a8db009a2e4ec40d4be2611c895ac8d0 [0,1,0,0,0,1|2,0,0]=4 1471 B15R1.16254 CCC(=O)OCOCc1c(n[nH]c1C)C 823b3ec72413253dc7ee8553323eb978 [0,1,0,0,0,1|2,0,0]=4 1472 B15R1.16254 CCC(=O)OCOCc1c(ncn1C)Br c01382f09253e18bdaba6a6cd8d9ae88 [0,1,0,0,0,1|2,0,0]=4 1473 B15R1.85 CCC(=O)NCCc1cccnc1OC 67b437fd97896797710550d29d72d626 [0,1,0,0,0,1|2,0,0]=4 1474 B15R1.85 CCC(=O)OCOc1cccnc1CC 44dc5ded2bf87b59a5012218cf9735cd [0,1,0,0,0,1|2,0,0]=4 1475 B15R1.85 CCC(=O)OCOc1cccnc1OC 72dbcec8a11b6507b9ff8f8b17f9b48e [0,1,0,0,0,1|2,0,0]=4 1476 B15R1.85 CCC(=O)OCOc1ccncc1OC e95c6197e9b2c1024d7450d88e507284 [0,1,0,0,0,1|2,0,0]=4 1477 B15R1.85 CCC(=O)OCOc1ncncc1CC a87d97ff65a4fa9a299a43acf5f7586f [0,1,0,0,0,1|2,0,0]=4 1478 B15R1.257 Cc1cnccc1NCOC(=O)C(C)C 425ad9534bd4c82b2795529084689d3d [0,1,0,0,0,1|2,0,0]=4 1479 B15R1.257 Cc1cnccc1OCOC(=O)C(C)C 3e00c9a1e117be96e1349497ba127684 [0,1,0,0,0,1|2,0,0]=4 1480 B15R1.257 Cc1cncnc1NCOC(=O)C(C)C d39505187414f9176bc63fd610b0877b [0,1,0,0,0,1|2,0,0]=4 1481 B15R1.257 Cc1cncnc1OCOC(=O)C(C)C b82456b3a835f2ba4cc5589e78df0d1e [0,1,0,0,0,1|2,0,0]=4 1482 B15R1.257 Cc1ncccc1NCOC(=O)C(C)C 5d630defbf455afed46e0e75f449fca6 [0,1,0,0,0,1|2,0,0]=4 1483 B15R1.257 Cc1ncccc1OCOC(=O)C(C)C 4326f11380b786267e76f654dde40196 [0,1,0,0,0,1|2,0,0]=4 1484 B15R1.257 Cc1nccnc1NCOC(=O)C(C)C 9720da6d470759f756cdf311ffc19ebd [0,1,0,0,0,1|2,0,0]=4 1485 B15R1.257 Cc1nccnc1OCOC(=O)C(C)C fc669bbbc809712df23a7eb288569c01 [0,1,0,0,0,1|2,0,0]=4 1486 B15R1.257 Cc1ncncc1OCOC(=O)C(C)C 3777c63b9f1f442f09a78e5d41ef89fb [0,1,0,0,0,1|2,0,0]=4 1487 B15R1.257 Cc1nnccc1NCOC(=O)C(C)C 31eca5d7e20cbe3eb2a945219b9dee2e [0,1,0,0,0,1|2,0,0]=4 1488 B15R1.1252 CCCC(=O)OCOc1nccnc1C 3dc0a614e99634b9f2662fdaf4cfea54 [0,1,0,0,0,1|2,0,0]=4 1489 B15R1.1252 CCOC(=O)OCNc1nccnc1C 2ed3e5fc1172050f508ea38c4aafc800 [0,1,0,0,0,1|2,0,0]=4 1490 B15R1.1252 CCOC(=O)OCOc1cccnc1C 85e3a7b7d9a16fc668b6a4b7b6a60f66 [0,1,0,0,0,1|2,0,0]=4 1491 B15R1.1252 CCOC(=O)OCOc1ccncc1C c0b801b6fb2a4b9cd532b1b01538a69e [0,1,0,0,0,1|2,0,0]=4 1492 B15R1.1252 CCOC(=O)OCOc1nccnc1C 9ced4a4c98a4b3fe486f9aab825debae [0,1,0,0,0,1|2,0,0]=4 1493 B15R1.1252 CCSC(=O)OCNc1nccnc1C 40941060bbd806f66369283f2359c747 [0,1,0,0,0,1|2,0,0]=4 1494 B15R1.1252 CCSC(=O)OCOc1cccnc1C 7642380d4e3642ae9a5bb1df8641fe62 [0,1,0,0,0,1|2,0,0]=4 1495 B15R1.1252 CCSC(=O)OCOc1nccnc1C 57cc98ced3a1c1d5b84689d815381ef0 [0,1,0,0,0,1|2,0,0]=4 1496 B15R1.1368 CCC(=O)OCOc1ccnc(c1C)C b7781423815e2f858fb06f0c1132db9f [0,1,0,0,0,1|2,0,0]=4 1497 B15R1.1368 CCC(=O)OCOc1ccnc(c1C)F 0d27edcce25293989a2a927afc46490d [0,1,0,0,0,1|2,0,0]=4 1498 B15R1.1368 CCC(=O)OCOc1ncnc(c1C)C 46a87f8e2e4111554c705d2ec77bc6a2 [0,1,0,0,0,1|2,0,0]=4 1499 B15R1.1368 CCC(=O)OCOc1ncnc(c1C)Cl 2f826f8e6a2c2396fef21efe0f292b6c [0,1,0,0,0,1|2,0,0]=4 1500 B15R1.3175 CCC(=O)OCNc1cc(cnc1C)Br 0ec35e8013427d58e3947b81282d7e1d [0,1,0,0,0,1|2,0,0]=4 1501 B15R1.3175 CCC(=O)OCNc1cc(cnc1C)Cl d2193475458262d9fb05f7460b2312ca [0,1,0,0,0,1|2,0,0]=4 1502 B15R1.3175 CCC(=O)OCNc1cc(cnc1C)F c63a1276543080ecf7719166817d4ccc [0,1,0,0,0,1|2,0,0]=4 1503 B15R1.3175 CCC(=O)OCNc1nc(=O)[nH]nc1C e89521c26551e06a5ace8166bc6f3dd9 [0,1,0,0,0,1|2,0,0]=4 1504 B15R1.3175 CCC(=O)OCNc1nc(cnc1C)C 16a7b0ad605450822b5a7a4d8ae7d268 [0,1,0,0,0,1|2,0,0]=4 1505 B15R1.3175 CCC(=O)OCOc1cc(cnc1C)Br 89f67cb5972a5da0dafee5b7087212c3 [0,1,0,0,0,1|2,0,0]=4 1506 B15R1.3175 CCC(=O)OCOc1cc(cnc1C)Cl b25531c1735f9f8f3a16af1da661e22f [0,1,0,0,0,1|2,0,0]=4 1507 B15R1.3175 CCC(=O)OCOc1cc(cnc1C)F 5c342ba1758d9490c0e1693355ebcc5b [0,1,0,0,0,1|2,0,0]=4 1508 B15R1.3175 CCC(=O)OCOc1cc(ncc1C)Br 52f10ecfc87b64cc35606b3f6381f814 [0,1,0,0,0,1|2,0,0]=4 1509 B15R1.3175 CCC(=O)OCOc1cc(ncc1C)Cl e5d89021e06a6864044c89cee37a5ecb [0,1,0,0,0,1|2,0,0]=4 1510 B15R1.3175 CCC(=O)OCOc1cc(ncc1C)F 8520638252fda5a89472aa8f5621853e [0,1,0,0,0,1|2,0,0]=4 1511 B15R1.3175 CCC(=O)OCOc1nc(ncc1C)C 7f2e2060f0b24e56a3ee0f6ad7819834 [0,1,0,0,0,1|2,0,0]=4 1512 B15R1.3175 CCC(=O)OCOc1nc(ncc1C)Cl 085d0bac61d3a01b64d85312ba3ff78d [0,1,0,0,0,1|2,0,0]=4 1513 B15R1.3836 CCC(=O)OCOc1ccc(nc1C)Br 70633011adb1ef2979ae6c37cecf967c [0,1,0,0,0,1|2,0,0]=4 1514 B15R1.3836 CCC(=O)OCOc1ccc(nc1C)C 7599021a379ecf1f734f60590e306ca2 [0,1,0,0,0,1|2,0,0]=4 1515 B15R1.3836 CCC(=O)OCOc1ccc(nc1C)Cl 38641904e7976756faf1efc72418fc81 [0,1,0,0,0,1|2,0,0]=4 1516 B15R1.3836 CCC(=O)OCOc1ccc(nc1C)F e22b7089b955e551fde3f46c003021d0 [0,1,0,0,0,1|2,0,0]=4 1517 B15R1.3836 CCC(=O)OCOc1ccc(nc1C)I 32264a5a06a35ae6c88c014ba446277a [0,1,0,0,0,1|2,0,0]=4 1518 B15R1.3836 CCC(=O)OCOc1cnc(nc1C)C 11eabf5593afb2fb0e5b6a15fe7e1538 [0,1,0,0,0,1|2,0,0]=4 1519 B15R1.3836 CCC(=O)OCOc1cnc(nc1C)Cl bfa250842befb0d700c3ab41a5728d43 [0,1,0,0,0,1|2,0,0]=4 1520 B15R1.3836 CCC(=O)OCOc1ncc(nc1C)Br 13cb0ea4c9c1d74f57acb5aaee252907 [0,1,0,0,0,1|2,0,0]=4 1521 B15R1.3836 CCC(=O)OCOc1ncc(nc1C)C 116d9392b899290fa59291746951250f [0,1,0,0,0,1|2,0,0]=4 1522 B15R1.5710 CCC(C=O)OCCc1ccncc1C 6caa34983aab41f5f0181275bdc35c02 [0,1,0,0,0,1|1,0,1]=4 1523 B15R1.5710 CCC(C=O)OCCc1nccnc1C 00196c8602101fc0978f69b429cbf69b [0,1,0,0,0,1|1,0,1]=4 1524 B15R1.5815 CCC(=O)OCN(C)c1cccnc1C 3f2244afe45c2ab4a20cf5eb98342019 [0,1,0,0,0,1|2,0,0]=4 1525 B15R1.5815 CCC(=O)OCN(C)c1nccnc1C 6331b46639096b7121f3269a02eea2d6 [0,1,0,0,0,1|2,0,0]=4 1526 B15R1.42427 CCC(=O)OCOc1c(ccnc1C)C 57594b12b6e532323049d93b37ed1835 [0,1,0,0,0,1|2,0,0]=4 1527 B15R1.42427 CCC(=O)OCOc1c(cncc1Br)C d7db3a86bc9d7d98b608684d4daacdb2 [0,1,0,0,0,1|2,0,0]=4 1528 B15R1.42427 CCC(=O)OCOc1c(ncnc1C)C 3f2fb86ca269ad1befb9dcd7175f7898 [0,1,0,0,0,1|2,0,0]=4 1529 B15R1.121 Cc1cc(ccn1)CCNC(=O)C(C)F 334d62336b808ca87c3674b47b2af2e8 [0,1,0,0,0,1|2,0,0]=4 1530 B15R1.121 Cc1cc(ccn1)CCNC(=O)C(C)O 1cf787e8816cebe86e750a269fee8615 [0,1,0,0,0,1|2,0,0]=4 1531 B15R1.121 Cc1cc(ccn1)CCNC(=O)C(C)S 754f251e32015b615d9e8f2174bca170 [0,1,0,0,0,1|2,0,0]=4 1532 B15R1.121 Cc1cc(ccn1)CCNC(=O)[C@@H](C)F 7afcffdefdbb0f21cfac5ba8f731e01a [0,1,0,0,0,1|2,0,0]=4 1533 B15R1.121 Cc1cc(ccn1)CCNC(=O)[C@@H](C)O 07dfe6b5c44a05769e2643d6690d5701 [0,1,0,0,0,1|2,0,0]=4 1534 B15R1.121 Cc1cc(ccn1)CCNC(=O)[C@H](C)F 71cd1a8b475d383fddbbb4162d977e7a [0,1,0,0,0,1|2,0,0]=4 1535 B15R1.121 Cc1cc(ccn1)CCNC(=O)[C@H](C)O de1d6dd5d23f87f061bc63f1a69ea2a9 [0,1,0,0,0,1|2,0,0]=4 1536 B15R1.121 Cc1cc(ccn1)NCOC(=O)C(C)C 410ffed512c22c0ddb09ddb471eeedab [0,1,0,0,0,1|2,0,0]=4 1537 B15R1.121 Cc1cc(ccn1)OCOC(=O)C(C)C 11201bc5baee130c4988ea8e325d7349 [0,1,0,0,0,1|2,0,0]=4 1538 B15R1.121 Cc1cc(ncn1)NCOC(=O)C(C)C b8683bc948821aa462c04b84e457e0f4 [0,1,0,0,0,1|2,0,0]=4 1539 B15R1.121 Cc1cc(ncn1)OCOC(=O)C(C)C 635914bfe0764d8ccf32b212ae3530f9 [0,1,0,0,0,1|2,0,0]=4 1540 B15R1.121 Cc1nccc(n1)NCOC(=O)C(C)C d7e3e585adf371fb3cd32a9e158ab35a [0,1,0,0,0,1|2,0,0]=4 1541 B15R1.121 Cc1nccc(n1)OCOC(=O)C(C)C 587e7885e4ce6ba050584767d674d150 [0,1,0,0,0,1|2,0,0]=4 1542 B15R1.633 CCCC(=O)NCCc1ccnc(c1)C 0fa5be2568f4075120eb9ba090be6abe [0,1,0,0,0,1|2,0,0]=4 1543 B15R1.633 CCCC(=O)OCOc1ccnc(c1)C a3015634186f5c1b4b99564ef2b42975 [0,1,0,0,0,1|2,0,0]=4 1544 B15R1.633 CCCC(=O)OCOc1ccnc(n1)C bcd90b96628c710bfc8fd83384fa6042 [0,1,0,0,0,1|2,0,0]=4 1545 B15R1.633 CCOC(=O)OCNc1cc(ncn1)C 9d5350b629f94a821f35c0f70cb31559 [0,1,0,0,0,1|2,0,0]=4 1546 B15R1.633 CCOC(=O)OCNc1ccnc(c1)C a21c2dc457b071e2595336397aa3f0c8 [0,1,0,0,0,1|2,0,0]=4 1547 B15R1.633 CCOC(=O)OCOc1cc(ncn1)C e4fa72002372ea803c80a69b13bab126 [0,1,0,0,0,1|2,0,0]=4 1548 B15R1.633 CCOC(=O)OCOc1ccnc(c1)C 8da52e49b82eedc8477df8532b2f0dc4 [0,1,0,0,0,1|2,0,0]=4 1549 B15R1.633 CCOC(=O)OCOc1ccnc(n1)C 8df1f68a4d72d2099b91ca3d7676ab2c [0,1,0,0,0,1|2,0,0]=4 1550 B15R1.633 CCSC(=O)OCNc1cc(ncn1)C 84f12f4a63e71e3e9a481f70b93586b5 [0,1,0,0,0,1|2,0,0]=4 1551 B15R1.633 CCSC(=O)OCNc1ccnc(c1)C aa28127fe10226545f095d6a227744a3 [0,1,0,0,0,1|2,0,0]=4 1552 B15R1.633 CCSC(=O)OCOc1cc(ncn1)C 3b3435fe1f52053eaa72a6afd44bb9be [0,1,0,0,0,1|2,0,0]=4 1553 B15R1.633 CCSC(=O)OCOc1ccnc(c1)C e2c80ff1bdd3786dad8b770cf1231ebc [0,1,0,0,0,1|2,0,0]=4 1554 B15R1.633 CCSC(=O)OCOc1ccnc(n1)C 15df0dceec7454085aaa73ee56f2f777 [0,1,0,0,0,1|2,0,0]=4 1555 B15R1.633 COCC(=O)NCCc1ccnc(c1)C f5fad3808d0e3accd6cb13e9d636f557 [0,1,0,0,0,1|2,0,0]=4 1556 B15R1.633 CSCC(=O)NCCc1ccnc(c1)C 03322f7395826f727164c91db396db21 [0,1,0,0,0,1|2,0,0]=4 1557 B15R1.633 Cc1cc(ccn1)CCNC(=O)CCF 76aa2502cf7a567ba8bd11324a30442e [0,1,0,0,0,1|2,0,0]=4 1558 B15R1.633 Cc1cc(ccn1)CCNC(=O)CCO ffa3168da894e4e088a1cf40cce3f6bd [0,1,0,0,0,1|2,0,0]=4 1559 B15R1.633 Cc1cc(ccn1)CCNC(=O)CCS 541d53f1066c5e0d0cb930bf47557076 [0,1,0,0,0,1|2,0,0]=4 1560 B15R1.931 CCC(=O)OCNc1cc(nc(c1)Br)C 65a12df568f34b83c9f705e5ee030ff9 [0,1,0,0,0,1|2,0,0]=4 1561 B15R1.931 CCC(=O)OCNc1cc(nc(c1)C)C 239f427a56be2879fb12dd812e3be16b [0,1,0,0,0,1|2,0,0]=4 1562 B15R1.931 CCC(=O)OCNc1cc(nc(c1)F)C 67cb53675f9b5d6575782418a50327b8 [0,1,0,0,0,1|2,0,0]=4 1563 B15R1.931 CCC(=O)OCOc1cc(nc(c1)Cl)C 315d897d485e1f8ccf8f90f0c15fc1b2 [0,1,0,0,0,1|2,0,0]=4 1564 B15R1.931 CCC(=O)OCOc1cc(nc(n1)C)Br 9964d96107d55f9a9faa429fb6bb494f [0,1,0,0,0,1|2,0,0]=4 1565 B15R1.931 CCC(=O)OCOc1cc(nc(n1)C)C af1eef08ab22218c2169966d80a1a632 [0,1,0,0,0,1|2,0,0]=4 1566 B15R1.931 CCC(=O)OCOc1cc(nc(n1)C)Cl 5c8f5736bd7c0864d57f8973cb73de72 [0,1,0,0,0,1|2,0,0]=4 1567 B15R1.931 CCC(=O)OCOc1cc(nc(n1)Cl)C 38a3eda539bd899858536ea30c6912f4 [0,1,0,0,0,1|2,0,0]=4 1568 B15R1.1569 CCC(=O)OCNc1ccnc(c1)CC db2e7ce95d1a3903216dfd8189df8cbb [0,1,0,0,0,1|2,0,0]=4 1569 B15R1.1569 CCC(=O)OCNc1ccnc(c1)CO 0376a4a7f99fa348a40de8642443da1f [0,1,0,0,0,1|2,0,0]=4 1570 B15R1.1569 CCC(=O)OCNc1ccnc(c1)SC bc439a4579e9d911d83515c7d80a2d1c [0,1,0,0,0,1|2,0,0]=4 1571 B15R1.1569 CCC(=O)OCOc1cc(ncn1)CC 48d236e9c62046e35ad00b95f670ab1c [0,1,0,0,0,1|2,0,0]=4 1572 B15R1.1569 CCC(=O)OCOc1ccnc(c1)OC 0bdc6de8f54d147263a2136724dd5b5e [0,1,0,0,0,1|2,0,0]=4 1573 B15R1.1569 CCC(=O)OCOc1ccnc(c1)SC 4b8d62aa3a5b7542c476c34c840ac170 [0,1,0,0,0,1|2,0,0]=4 1574 B15R1.1569 CCC(=O)OCOc1ccnc(n1)CC 1f6096dc0303413f21f97aa6527af2fd [0,1,0,0,0,1|2,0,0]=4 1575 B15R1.1569 CCC(=O)OCOc1ccnc(n1)OC 748a0435ad4c58b1951425b9f9602647 [0,1,0,0,0,1|2,0,0]=4 1576 B15R1.804 CCOC(=O)CCNc1scnc1CO 74b816f2f884e80eadcee58b1efbbccc [0,2,0,0,0,0|2,0,0]=4 1577 B15R1.4247 CCC(=O)CNCc1sc(nc1CC)C 2b52cb71560afcc838ad2d503331e990 [0,2,0,0,0,0|2,0,0]=4 1578 B15R1.4247 CCC(=O)COCc1sc(nc1CC)C 30909f5a17dff615b5f4a7c9b1fa6d6e [0,2,0,0,0,0|2,0,0]=4 1579 B15R1.3013 C#CC(OCCc1scnc1C)C(C)C 0abb0ecfdca4e2016c4528d38d0faf38 [0,2,0,0,0,0|1,0,1]=4 1580 B15R1.3013 C/C=C(\OCCc1scnc1C)/C(=O)O 45bd0bf86329a756c75a797cf2c77cb4 [0,2,0,0,0,0|0,0,1]=3 1581 B15R1.3013 C=CC(OCCc1scnc1C)C(C)C a9c27e89281ed1ceac50aab5b863f2b2 [0,2,0,0,0,0|1,0,1]=4 1582 B15R1.3013 CCC(NCCc1scnc1C)C(=O)N dbc631fdb11dc25269144e2f4b365014 [0,2,0,0,0,0|1,0,1]=4 1583 B15R1.3013 CCC(NCCc1scnc1C)C(=O)O 60e761f5d6c7ec473c161109e44c1bd7 [0,2,0,0,0,0|1,0,1]=4 1584 B15R1.3013 CCC(OCCc1scnc1C)C(=O)N 47f13ad496e16458c980a4d923836c4e [0,2,0,0,0,0|0,0,1]=3 1585 B15R1.3013 CCC(OCCc1scnc1C)C(=O)O ef68a07ee5ceb012304f19adcbce1252 [0,2,0,0,0,0|0,0,1]=3 1586 B15R1.3013 CCC(OCCc1scnc1C)C(C)C 123a1ad81bcf5fe0b8ec80aa5c934560 [0,2,0,0,0,0|1,0,1]=4 1587 B15R1.3013 CC[C@@H](NCCc1scnc1C)C(=O)O 5b43a279babaaae672b9092c429d8797 [0,2,0,0,0,0|1,0,1]=4 1588 B15R1.3013 CC[C@@H](OCCc1scnc1C)C(=O)O 9edb6a217931d1044d58c9536e068ecd [0,2,0,0,0,0|0,0,1]=3 1589 B15R1.3013 CC[C@H](NCCc1scnc1C)C(=O)N 3e23d465c0dc09b9b38c6a8970aae8c3 [0,2,0,0,0,0|1,0,1]=4 1590 B15R1.3013 CC[C@H](NCCc1scnc1C)C(=O)O ba12c9c4dc8ef4a6e4342e08694d7918 [0,2,0,0,0,0|1,0,1]=4 1591 B15R1.3013 CC[C@H](OCCc1scnc1C)C(=O)O 9e528cd97993aae9de0ee728f0396f01 [0,2,0,0,0,0|0,0,1]=3 1592 B15R1.3013 Cc1ncsc1CCNC(C=O)C(C)C eb4f0bc2c51e53320d4099571fb1f607 [0,2,0,0,0,0|1,0,1]=4 1593 B15R1.3013 Cc1ncsc1CCOC(C#N)C(C)C ea56ae5940454cd97f099a5afd8d64f7 [0,2,0,0,0,0|1,0,1]=4 1594 B15R1.3013 Cc1ncsc1CCOC(C=O)C(C)C fb0009bd304044639f46048444491d19 [0,2,0,0,0,0|0,0,1]=3 1595 B15R1.3013 Cc1ncsc1CCOC(CF)C(=O)O d0d57a9a6691c6e92284505533930a9c [0,2,0,0,0,0|1,0,1]=4 1596 B15R1.3013 Cc1ncsc1CCO[C@H](CF)C(=O)O 91c6a631fe5541344ff8c478ae9ba6f9 [0,2,0,0,0,0|1,0,1]=4 1597 B15R1.5875 Cc1ncsc1CN(C)CC(=O)C(C)C 35decfa17f65ae267750708b591871a5 [0,2,0,0,0,0|2,0,0]=4 1598 B15R1.5880 Cc1ccsc1CCNC(=O)C(C)(F)F bff43a3fe5a3a86ae84a6d8e1acc3675 [0,2,0,0,0,0|2,0,0]=4 1599 B15R1.5880 Cc1ncsc1CCNC(=O)C(C)(F)F 0e60a99536ed137281e9bdfd25cac6ad [0,2,0,0,0,0|1,0,0]=3 1600 B15R1.5880 Cc1ncsc1CCNC(=O)C(F)(F)Br 29e524cfe30536e8895ce261b32173eb [0,2,0,0,0,0|2,0,0]=4 1601 B15R1.5880 Cc1ncsc1CCNC(=O)C(F)(F)Cl d8345592c66924a4df94878f4a9ae200 [0,2,0,0,0,0|2,0,0]=4 1602 B15R1.5880 Cc1ncsc1CCNC(=O)C(F)(F)F 9a6b3003a0f40ac231e563e42f87c05d [0,2,0,0,0,0|2,0,0]=4 1603 B15R1.5880 Cc1ncsc1CCNC(=O)C(F)(F)I 95fb12c1acf853c68ed30c7118f0e8ff [0,2,0,0,0,0|2,0,0]=4 1604 B15R1.5880 Cc1ncsc1CNCC(=O)C(C)(C)C a0b0d792649534375822525eb977ba76 [0,2,0,0,0,0|2,0,0]=4 1605 B15R1.5880 Cc1ncsc1CNCC(=O)C(C)(C)O c5829f7cfe768b0b7f94ca480a6e31ad [0,2,0,0,0,0|2,0,0]=4 1606 B15R1.5880 Cc1ncsc1COCC(=O)C(C)(C)C a56095dbe6781e7abc327ebc992e6a0d [0,2,0,0,0,0|2,0,0]=4 1607 B15R1.5880 Cc1ncsc1COCC(=O)C(C)(C)O ad4c63b0951cd75daf15005a2e2062b4 [0,2,0,0,0,0|2,0,0]=4 1608 B15R1.5880 Cc1ncsc1NCOC(=O)C(C)(C)C bd2214743a0cab549e12676ed7f5fb4f [0,2,0,0,0,0|1,0,0]=3 1609 B15R1.5900 Cc1ncsc1C(C)OCC(=O)C(C)C 038c12c6a13c62e6697612f5a8f5c58b [0,2,0,0,0,0|2,0,0]=4 1610 B15R1.6599 Cc1ncsc1CNC(=O)C(=O)C(C)C 22a89e704ccab9282acee7ef5166ca52 [0,2,0,0,0,0|2,0,0]=4 1611 B15R1.6599 Cc1ncsc1CNC(C)C(=O)C(C)C 244cee6030168141f6e59271a2cded9c [0,2,0,0,0,0|2,0,0]=4 1612 B15R1.15113 Cc1ncn(c1NCOC(=O)C(C)C)C 02ec4f550193545f6794fbf06ec19b93 [0,2,0,0,0,0|2,0,0]=4 1613 B15R1.22759 C=C(C)C(=O)NCCc1sc(nc1C)C bb770be2c7ebf43a2187ac6c021ddd36 [0,2,0,0,0,0|1,0,1]=4 1614 B15R1.22759 CC(=O)C(=O)NCCc1sc(nc1C)C 62ec83ac4e06834c3f1700c78ababe65 [0,2,0,0,0,0|1,0,1]=4 1615 B15R1.22759 Cc1nc(c([nH]1)OCOC(=O)C(C)C)C 1bd0774bab4472ce4622a106c37b16fe [0,2,0,0,0,0|2,0,0]=4 1616 B15R1.22759 Cc1nc(c(s1)CCNC(=O)C(C)O)C 266e0c6288ee6fd319b2d98924833cc6 [0,2,0,0,0,0|1,0,0]=3 1617 B15R1.22759 Cc1nc(c(s1)CCNC(=O)C(C)S)C ad83d57a6b72167cf388fe5178ab9417 [0,2,0,0,0,0|1,0,0]=3 1618 B15R1.22759 Cc1nc(c(s1)CCNC(=O)C(F)F)C c237d92b2f8bebff888d4f2ecd90b9e5 [0,2,0,0,0,0|2,0,0]=4 1619 B15R1.22759 Cc1nc(c(s1)CCNC(=O)C(O)O)C 2ea3fd6ea76b4cee77a557d6e28f739b [0,2,0,0,0,0|2,0,0]=4 1620 B15R1.22759 Cc1nc(c(s1)CCNC(=O)[C@@H](C)O)C 37e326c5ad79e863c465022d9ed6806d [0,2,0,0,0,0|1,0,0]=3 1621 B15R1.22759 Cc1nc(c(s1)CCNC(=O)[C@H](C)O)C f0cd80f49ce7dfd11e7251650fa19be8 [0,2,0,0,0,0|1,0,0]=3 1622 B15R1.22759 Cc1nc(c(s1)CNCC(=O)C(C)C)C 42cc226f84485c80bb33f190e5bcdb20 [0,2,0,0,0,0|2,0,0]=4 1623 B15R1.22759 Cc1nc(sc1CNCC(=O)C(C)C)Br 543f540cc712600049fc5abb1258bf3d [0,2,0,0,0,0|2,0,0]=4 1624 B15R1.3730 CCCC(=O)CN(C)Cc1scnc1C fb150209aa1e9f9abe06b4d639e299f3 [0,2,0,0,0,0|2,0,0]=4 1625 B15R1.3730 CCNC(=O)CN(C)Cc1scnc1C 6896f972f7b067aa159afae6bc53b1ee [0,2,0,0,0,0|2,0,0]=4 1626 B15R1.3730 CCOC(=O)CN(C)Cc1scnc1C 958be6a36d3e2365ef9c1b1af171e876 [0,2,0,0,0,0|2,0,0]=4 1627 B15R1.3730 CCOC(=O)OC(C)Nc1scnc1C 6b619c65154af6372df45703f24d50c4 [0,2,0,0,0,0|1,0,0]=3 1628 B15R1.4439 CCC(=O)C(=O)N(C)Cc1scnc1C b6b597d212d395c2013458174aba45b9 [0,2,0,0,0,0|2,0,0]=4 1629 B15R1.4439 CCC(=O)C(C)N(C)Cc1scnc1C d2e60fdee5629be8dd49aaa64d23e377 [0,2,0,0,0,0|2,0,0]=4 1630 B15R1.254 C/C(=C/C(=O)NCCc1scnc1C)/Cl a56c68ae3429fc0fd65b5a96f08cd3fc [0,2,0,0,0,0|1,0,1]=4 1631 B15R1.254 C/C(=C/C(=O)NCCc1scnc1C)/I 2c80dcc4b9c76b0c4f8efd6dc565dd65 [0,2,0,0,0,0|1,0,1]=4 1632 B15R1.254 C/C(=C\C(=O)NCCc1scnc1C)/Cl c0d1d0909f36f64493833351554630c1 [0,2,0,0,0,0|1,0,1]=4 1633 B15R1.254 C=C(C)CC(=O)NCCc1sccc1C a1ecf4eba00e6f28181553ba6426542b [0,2,0,0,0,0|2,0,0]=4 1634 B15R1.254 C=C(C)CC(=O)NCCc1scnc1C 3051daaf6ef22f872b22c29b09318bc3 [0,2,0,0,0,0|1,0,0]=3 1635 B15R1.254 CC(=CC(=O)NCCc1scnc1C)C c1081e0cbd3e262ae174a0a430e6e762 [0,2,0,0,0,0|1,0,1]=4 1636 B15R1.254 CC(=CC(=O)NCCc1scnc1C)I 964b9b260b4938d6133adf6963bcaa3c [0,2,0,0,0,0|1,0,1]=4 1637 B15R1.254 CC(=O)CC(=O)NCCc1sccc1C 831ffa8b4db29dbf0146e479701b9d87 [0,2,0,0,0,0|2,0,0]=4 1638 B15R1.254 CC(=O)CC(=O)NCCc1scnc1C 680ddb74b981227590e81c6974ed8cb2 [0,2,0,0,0,0|1,0,0]=3 1639 B15R1.254 Cc1ccsc1CCNC(=O)CC(C)C bc33a68b92a947bde2ffaf9304245dc1 [0,2,0,0,0,0|2,0,0]=4 1640 B15R1.254 Cc1ccsc1CCNC(=O)CC(C)O 0ad69c20f10b1fba3f57f926122a1e67 [0,2,0,0,0,0|2,0,0]=4 1641 B15R1.254 Cc1ccsc1CCNC(=O)CC(F)F 09734669e5f7418f51aeb37e937e792c [0,2,0,0,0,0|2,0,0]=4 1642 B15R1.254 Cc1ccsc1CCNC(=O)CN(C)C 5c2d1071d248e43fac8e0e829743f3b2 [0,2,0,0,0,0|2,0,0]=4 1643 B15R1.254 Cc1ccsc1CCNC(=O)C[C@@H](C)O 7cbfafa66a54dfbea9ba357e8c920ab4 [0,2,0,0,0,0|2,0,0]=4 1644 B15R1.254 Cc1ccsc1CCNC(=O)C[C@H](C)O 236154c5b9b1be2a980a412acd980a06 [0,2,0,0,0,0|2,0,0]=4 1645 B15R1.254 Cc1ncsc1CCNC(=O)CC(=O)N 0cb2f20918b8551add74bdd26de882bb [0,2,0,0,0,0|1,0,1]=4 1646 B15R1.254 Cc1ncsc1CCNC(=O)CC(C)C 69c2c5acd7acf106cf923198579af72d [0,2,0,0,0,0|1,0,0]=3 1647 B15R1.254 Cc1ncsc1CCNC(=O)CC(C)O a0037fa259355954c1df0b60b1340eae [0,2,0,0,0,0|1,0,0]=3 1648 B15R1.254 Cc1ncsc1CCNC(=O)CC(F)F eed6860a9592a707228d720760be7c09 [0,2,0,0,0,0|1,0,0]=3 1649 B15R1.254 Cc1ncsc1CCNC(=O)CN(C)C 3742dd1fc8e6761ab7a7286e5528ed3b [0,2,0,0,0,0|1,0,0]=3 1650 B15R1.254 Cc1ncsc1CCNC(=O)C[C@@H](C)O 43c392a3622495ee2ccb62386cf3cbb2 [0,2,0,0,0,0|1,0,0]=3 1651 B15R1.254 Cc1ncsc1CCNC(=O)C[C@H](C)O 96f935c4c1101cfa993afe7ee4c29aa3 [0,2,0,0,0,0|1,0,0]=3 1652 B15R1.254 Cc1ncsc1CCOC(C)CC(C)C fc9eff827fc07ad85246ae1e73872413 [0,2,0,0,0,0|1,0,1]=4 1653 B15R1.254 Cc1ncsc1CCOC(C)CN(C)C ba6dcb13bbd20576376f52cd288b388a [0,2,0,0,0,0|1,0,1]=4 1654 B15R1.254 Cc1ncsc1CCO[C@@H](C)CC(C)C 4a23a9becd3c72cbebed73e130096c76 [0,2,0,0,0,0|1,0,1]=4 1655 B15R1.254 Cc1ncsc1CCO[C@@H](C)CN(C)C eac44c00a1f2c7f274891f634ca41656 [0,2,0,0,0,0|1,0,1]=4 1656 B15R1.254 Cc1ncsc1CCO[C@H](C)CC(C)C a8de621862dc77d7498cb014f3812668 [0,2,0,0,0,0|1,0,1]=4 1657 B15R1.254 Cc1ncsc1CCO[C@H](C)CN(C)C 518d847bff6bbfd8ca4c63a5ddba4345 [0,2,0,0,0,0|1,0,1]=4 1658 B15R1.254 Cc1ncsc1CNCC(=O)CC(C)C e15743e721694c6d21cc76024623c5cf [0,2,0,0,0,0|2,0,0]=4 1659 B15R1.254 Cc1ncsc1CNCC(=O)NC(C)C ecfac8e931f942f80de9e6495a535ba7 [0,2,0,0,0,0|2,0,0]=4 1660 B15R1.254 Cc1ncsc1CNCC(=O)OC(C)C 97edcc2b4ea678ac76d36edf14022cf6 [0,2,0,0,0,0|2,0,0]=4 1661 B15R1.254 Cc1ncsc1COCC(=O)CC(C)C fe7920b2cbcbde5584709274e1f5f48c [0,2,0,0,0,0|2,0,0]=4 1662 B15R1.254 Cc1ncsc1COCC(=O)NC(C)C e2beb425022548abddbf146d3457bf1e [0,2,0,0,0,0|2,0,0]=4 1663 B15R1.254 Cc1ncsc1COCC(=O)OC(C)C d98c600292f089e3b16fe0d05c851f6e [0,2,0,0,0,0|2,0,0]=4 1664 B15R1.254 Cc1ncsc1NCCC(=O)NC(C)C 720f1785366e6a7463df7ef0842d7c7e [0,2,0,0,0,0|2,0,0]=4 1665 B15R1.254 Cc1ncsc1NCCC(=O)OC(C)C b62e9c65090b7f3b7e7e9d3b88d574da [0,2,0,0,0,0|2,0,0]=4 1666 B15R1.254 Cc1ncsc1NCOC(=O)CC(C)C ef46a643b6b08c1f13b06f059b4fb74a [0,2,0,0,0,0|1,0,0]=3 1667 B15R1.254 Cc1ncsc1NCOC(=O)OC(C)C 9fe3ba03f2f74d49a0f79a6ba1bf50d7 [0,2,0,0,0,0|1,0,0]=3 1668 B15R1.3894 C#CCCC(=O)NCCc1sccc1C 0b53710291eee77cc729973a46c9c22b [0,2,0,0,0,0|2,0,0]=4 1669 B15R1.3894 C#CCCC(=O)NCCc1scnc1C cc1ade83b89a17b3dca3c70b569c66c7 [0,2,0,0,0,0|1,0,0]=3 1670 B15R1.3894 C#CCNC(=O)NCCc1scnc1C e16e9b1d41206b1d181ffc1375e92b1b [0,2,0,0,0,0|1,0,1]=4 1671 B15R1.3894 C/C=C/CC(=O)NCCc1sccc1C 950c87c691934d838d9bcbd7aae3be7d [0,2,0,0,0,0|2,0,0]=4 1672 B15R1.3894 C/C=C/CC(=O)NCCc1scnc1C 217dfe416a1a8faf4c39e0e7cd3a3257 [0,2,0,0,0,0|1,0,0]=3 1673 B15R1.3894 C=CCCC(=O)NCCc1sccc1C acb53acb2e73afdfe0badc3ef5dfb751 [0,2,0,0,0,0|2,0,0]=4 1674 B15R1.3894 C=CCCC(=O)NCCc1scnc1C ea02c54912748912390f0f5f171333e7 [0,2,0,0,0,0|1,0,0]=3 1675 B15R1.3894 C=CCCC(C)OCCc1scnc1C b2116072c1f339caee1ee772db217897 [0,2,0,0,0,0|1,0,1]=4 1676 B15R1.3894 C=CCC[C@@H](C)OCCc1scnc1C 38c8c13b962d49174d62de7578ae3506 [0,2,0,0,0,0|1,0,1]=4 1677 B15R1.3894 CC#CCC(=O)NCCc1sccc1C 37c7aae66df57b6d8349d28ace794baa [0,2,0,0,0,0|2,0,0]=4 1678 B15R1.3894 CC#CCC(=O)NCCc1scnc1C 3f88755ed838bb473853b93366b14756 [0,2,0,0,0,0|1,0,0]=3 1679 B15R1.3894 CC/C=C/C(=O)NCCc1sccc1C 07ada79f58a398224bf1d1ca574b426c [0,2,0,0,0,0|2,0,0]=4 1680 B15R1.3894 CC/C=C/C(=O)NCCc1scnc1C ded8102213f1b492a636abbf786cc1bf [0,2,0,0,0,0|1,0,0]=3 1681 B15R1.3894 CC/C=C\C(=O)NCCc1sccc1C be4af812f2a5f87cfbf6bae06e5da6c8 [0,2,0,0,0,0|2,0,0]=4 1682 B15R1.3894 CC/C=C\C(=O)NCCc1scnc1C ad4d5edfa352b351b2d09f841159ecb7 [0,2,0,0,0,0|1,0,0]=3 1683 B15R1.3894 CCC#CC(=O)NCCc1sccc1C 90f976ae60f6c8a9daacc58ce4fbd327 [0,2,0,0,0,0|2,0,0]=4 1684 B15R1.3894 CCC#CC(=O)NCCc1scnc1C 6f0170304410b67ced06e66ec615f452 [0,2,0,0,0,0|1,0,0]=3 1685 B15R1.3894 CCC#CC(C)OCCc1scnc1C 8ca12ffdff0b2eccbc0ce2474e3a9ebf [0,2,0,0,0,0|1,0,1]=4 1686 B15R1.3894 CCC=CC(=O)NCCc1sccc1C e0126a3188a6c10c6e3b14bd109b5a01 [0,2,0,0,0,0|2,0,0]=4 1687 B15R1.3894 CCC=CC(=O)NCCc1scnc1C 37f144a81e9aeedc12e42d7eed1946da [0,2,0,0,0,0|1,0,0]=3 1688 B15R1.3894 CCCCC(=O)NCCc1sccc1C bf49b6a60d878cb945217996af7b38d0 [0,2,0,0,0,0|2,0,0]=4 1689 B15R1.3894 CCCCC(=O)NCCc1scnc1C 1db864318901dc30475591d4a3742317 [0,2,0,0,0,0|1,0,0]=3 1690 B15R1.3894 CCCCC(=O)OCNc1scnc1C 06b53c1e3613ab3bd38a6af1d135cdb9 [0,2,0,0,0,0|1,0,0]=3 1691 B15R1.3894 CCCCC(C)OCCc1scnc1C f863b32fa6a8d1fc981a74f53627d493 [0,2,0,0,0,0|1,0,1]=4 1692 B15R1.3894 CCCNC(=O)CNCc1scnc1C debdba95a1520707314405728ed0efe5 [0,2,0,0,0,0|2,0,0]=4 1693 B15R1.3894 CCCNC(=O)COCc1scnc1C 05c562ec028649bc32e6f0f2fe4476c1 [0,2,0,0,0,0|2,0,0]=4 1694 B15R1.3894 CCCNC(=S)NCCc1scnc1C ae3cea95312c04e170e2bb52e699c773 [0,2,0,0,0,0|1,1,0]=4 1695 B15R1.3894 CCCOC(=O)CNCc1scnc1C dbb3ffb9f33173c9c0260220a37518a3 [0,2,0,0,0,0|2,0,0]=4 1696 B15R1.3894 CCCOC(=O)COCc1scnc1C 5da32a5c20cefb94fc65abd80e0ec854 [0,2,0,0,0,0|2,0,0]=4 1697 B15R1.3894 CCCOC(=O)OCNc1scnc1C 45716b7062145381832f088ece511ad0 [0,2,0,0,0,0|1,0,0]=3 1698 B15R1.3894 CCOCC(=O)NCCc1sccc1C f340823eb1a4dfd9022bd023ee98af71 [0,2,0,0,0,0|2,0,0]=4 1699 B15R1.3894 CCOCC(=O)NCCc1scnc1C 3652ba3e3c1ff035b79a2a5e94f88c11 [0,2,0,0,0,0|1,0,0]=3 1700 B15R1.3894 CCOCC(C)OCCc1scnc1C 977020fa5bffe8080ca792ff14c17ebf [0,2,0,0,0,0|1,0,1]=4 1701 B15R1.3894 CCSCC(=O)NCCc1sccc1C 175d833b4a0bc051743d5ae8fb29b49f [0,2,0,0,0,0|2,0,0]=4 1702 B15R1.3894 CCSCC(=O)NCCc1scnc1C 9143dc85a045ee96c346aa39b72027b4 [0,2,0,0,0,0|1,0,0]=3 1703 B15R1.3894 CO/C=C/C(=O)NCCc1scnc1C 49838e6615d9c7ab204fc99d324f6c6b [0,2,0,0,0,0|1,0,1]=4 1704 B15R1.3894 COC=CC(=O)NCCc1scnc1C 3f4a2cc23e7e65b203344b4d78cc8b92 [0,2,0,0,0,0|1,0,1]=4 1705 B15R1.3894 COCCC(=O)NCCc1sccc1C e5f75abe9d77e7aad77c9f6b27179d90 [0,2,0,0,0,0|2,0,0]=4 1706 B15R1.3894 COCCC(=O)NCCc1scnc1C 35c1f8e37d2dc14603668845d893de23 [0,2,0,0,0,0|1,0,0]=3 1707 B15R1.3894 COCCC(C)OCCc1scnc1C fbed884a9912b4056084981586a0d649 [0,2,0,0,0,0|1,0,1]=4 1708 B15R1.3894 CSCCC(=O)CNCc1scnc1C 05d2ee16e31f676b7c98988339c02597 [0,2,0,0,0,0|2,0,0]=4 1709 B15R1.3894 CSCCC(=O)COCc1scnc1C 713faea6e82e9793b5cddfa31d1459db [0,2,0,0,0,0|2,0,0]=4 1710 B15R1.3894 CSCCC(=O)NCCc1sccc1C a8ff8ac438a5fb35270f03314ae552fc [0,2,0,0,0,0|2,0,0]=4 1711 B15R1.3894 CSCCC(=O)NCCc1scnc1C 99b1528c9edc61afee8f40bb86601922 [0,2,0,0,0,0|1,0,0]=3 1712 B15R1.3894 CSCCC(C)OCCc1scnc1C fca51c346d29c7f6bacdd520d287c6fb [0,2,0,0,0,0|1,0,1]=4 1713 B15R1.3894 CSSCC(=O)NCCc1sccc1C c20ec4b1b85a5445c065c9cdeeb55755 [0,2,0,0,0,0|2,0,0]=4 1714 B15R1.3894 CSSCC(=O)NCCc1scnc1C 58d1b1d5b33fcf12fa05723f34284df9 [0,2,0,0,0,0|1,0,0]=3 1715 B15R1.3894 Cc1ccsc1CCNC(=O)CCC#N 38776dad9650868ab3233ef166555d18 [0,2,0,0,0,0|2,0,0]=4 1716 B15R1.3894 Cc1ccsc1CCNC(=O)CCC=O 893cbce39a3264f272e518263ef7f327 [0,2,0,0,0,0|2,0,0]=4 1717 B15R1.3894 Cc1ccsc1CCNC(=O)CCCF 4dc83d063ef4738780868c83dcc855e9 [0,2,0,0,0,0|2,0,0]=4 1718 B15R1.3894 Cc1ccsc1CCNC(=O)CCCS 091260feeb38aed903e7eef1ac623bfb [0,2,0,0,0,0|2,0,0]=4 1719 B15R1.3894 Cc1ccsc1CCNC(=O)NCCN 0896d0748db1d09ddb14db5065d28519 [0,2,0,0,0,0|2,0,0]=4 1720 B15R1.3894 Cc1ncsc1CCNC(=O)/C=C/CF 57f9e398201bf72a1b1fd71965efc8e7 [0,2,0,0,0,0|1,0,1]=4 1721 B15R1.3894 Cc1ncsc1CCNC(=O)/C=C/CO a499e27d936e259b9cff1e9b83c2121e [0,2,0,0,0,0|1,0,1]=4 1722 B15R1.3894 Cc1ncsc1CCNC(=O)C#CCO 8c53d3e2af82efefe799a9ba59906c8e [0,2,0,0,0,0|1,0,1]=4 1723 B15R1.3894 Cc1ncsc1CCNC(=O)C=CCO 86a8e0ab1070cfa8e36266a36f158cf8 [0,2,0,0,0,0|1,0,1]=4 1724 B15R1.3894 Cc1ncsc1CCNC(=O)CCC#N 81174370a9c5f4ca0429836903043b0c [0,2,0,0,0,0|1,0,0]=3 1725 B15R1.3894 Cc1ncsc1CCNC(=O)CCC=O f89f71d14893014d61054e84991358e0 [0,2,0,0,0,0|1,0,0]=3 1726 B15R1.3894 Cc1ncsc1CCNC(=O)CCCF ab592abf41b1e9c875ae22d2897e3bb0 [0,2,0,0,0,0|1,0,0]=3 1727 B15R1.3894 Cc1ncsc1CCNC(=O)CCCS 86449ee035b8cffc6e1a2614a0cd65f4 [0,2,0,0,0,0|1,0,0]=3 1728 B15R1.3894 Cc1ncsc1CCNC(=O)CNC=O 337ae88fd99063e589a91534d5aa5406 [0,2,0,0,0,0|1,0,1]=4 1729 B15R1.3894 Cc1ncsc1CCNC(=O)NCC#N 3441d1d845c752849e2442bff663a84d [0,2,0,0,0,0|1,0,1]=4 1730 B15R1.3894 Cc1ncsc1CCNC(=O)NCCN ccfbd7d3ec2f3a3ffbfcbb8f21a2cbf9 [0,2,0,0,0,0|1,0,0]=3 1731 B15R1.3894 Cc1ncsc1CCNC(=O)NCCO fa214e1d8659686444d823b463ab1897 [0,2,0,0,0,0|1,0,0]=3 1732 B15R1.3894 Cc1ncsc1CCNC(=O)NCCS 0b7c14ab6a369085dc0d3600e8173fda [0,2,0,0,0,0|1,0,0]=3 1733 B15R1.3894 Cc1ncsc1CCNC(=S)NCCF d0b33824e7abfaa2028937664594e47f [0,2,0,0,0,0|1,1,0]=4 1734 B15R1.3894 Cc1ncsc1CCNC(=S)NCCN 01c99efac673f3b6d0c22d40684cc3a2 [0,2,0,0,0,0|1,1,0]=4 1735 B15R1.3894 Cc1ncsc1CCNC(=S)NCCO 693feaf1d07fdc25d1908ac3254305f4 [0,2,0,0,0,0|1,1,0]=4 1736 B15R1.3894 Cc1ncsc1CCNC(=S)NCCS f5a6019c4c0fc9ce54a31b0ceee59836 [0,2,0,0,0,0|1,1,0]=4 1737 B15R1.3894 Cc1ncsc1CCOC(C)CCC#N 074b85a2571c2c65012ec5ccf9bc5eb0 [0,2,0,0,0,0|1,0,1]=4 1738 B15R1.3894 Cc1ncsc1CNCC(=O)NCCO cce9673f2634cd330034eee9fe07b475 [0,2,0,0,0,0|2,0,0]=4 1739 B15R1.3935 C=C(CNc1scnc1C)C(=O)OCC 525b9e1883326cf06612de8d4afcb676 [0,2,0,0,0,0|2,0,0]=4 1740 B15R1.3935 CCCC(=O)C(=O)NCc1scnc1C cec610ff367d2ecda85d95fb90fbf67f [0,2,0,0,0,0|2,0,0]=4 1741 B15R1.3935 CCNC(=O)C(=O)NCc1scnc1C 6c906acc2f693be1e107289fc23693e5 [0,2,0,0,0,0|2,0,0]=4 1742 B15R1.3935 CCNC(=O)C(C)NCc1scnc1C c1d4b2488ad1b8d419511e3d4d749384 [0,2,0,0,0,0|2,0,0]=4 1743 B15R1.3935 CCNC(=O)C(C)OCc1scnc1C 7341496780e626a826c7843b1b6dd675 [0,2,0,0,0,0|2,0,0]=4 1744 B15R1.3935 CCNC(=O)[C@H](C)NCc1scnc1C b93bfa02ba48c22f7efe6e51c289bea3 [0,2,0,0,0,0|2,0,0]=4 1745 B15R1.3935 CCOC(=O)C(=O)NCc1scnc1C 374f991224e6b70f0486b3742929708e [0,2,0,0,0,0|2,0,0]=4 1746 B15R1.3935 CCOC(=O)C(C)CNc1scnc1C 97f1ed2791125bfb1d55f06379251742 [0,2,0,0,0,0|2,0,0]=4 1747 B15R1.3935 CCOC(=O)C(C)NCc1scnc1C ba4c261520110a675e209779ccdae8b9 [0,2,0,0,0,0|2,0,0]=4 1748 B15R1.3935 CCOC(=O)C(C)OCc1scnc1C 5eca08d1e4512dd34365e72ce70ffc8a [0,2,0,0,0,0|2,0,0]=4 1749 B15R1.3935 CCOC(=O)C(F)NCc1scnc1C 91d66d8b1d44c2683f281f56b654e1b9 [0,2,0,0,0,0|2,0,0]=4 1750 B15R1.3935 CCOC(=O)C(F)OCc1scnc1C 99d1269d5f3d6140ec32fe98a98bb2f6 [0,2,0,0,0,0|2,0,0]=4 1751 B15R1.3935 CCOC(=O)C(O)CNc1scnc1C b201e040dd4f5d777d6d0ae2c3ec7ed1 [0,2,0,0,0,0|2,0,0]=4 1752 B15R1.3935 CCOC(=O)[C@@H](C)NCc1scnc1C 18cdc047d7e71b3d1e31ad7fe3b235db [0,2,0,0,0,0|2,0,0]=4 1753 B15R1.3935 CCOC(=O)[C@@H](C)OCc1scnc1C a1542def9770ca422ddd4c4a926552d0 [0,2,0,0,0,0|2,0,0]=4 1754 B15R1.3935 CCOC(=O)[C@H](C)NCc1scnc1C d7683a4d5afe473acef9240f60698ae4 [0,2,0,0,0,0|2,0,0]=4 1755 B15R1.3935 CCOC(=O)[C@H](C)OCc1scnc1C 57c48632d5b4b2c3df3a6e17d5a2eda8 [0,2,0,0,0,0|2,0,0]=4 1756 B15R1.4390 C#CC(CCC)OCCc1scnc1C 59bf99d3588c424fb296dc79320dd97f [0,2,0,0,0,0|1,0,1]=4 1757 B15R1.4390 C=CC(CCC)OCCc1scnc1C 9401896fa30f93ea0a4e52d1723b568f [0,2,0,0,0,0|1,0,1]=4 1758 B15R1.4390 CCC(CC#N)OCCc1scnc1C e9ab9a235ff04d7700086cf7e9a7fe56 [0,2,0,0,0,0|1,0,1]=4 1759 B15R1.4390 CCC(COC)OCCc1scnc1C 720ff209cccd22ff41b139847471c72f [0,2,0,0,0,0|0,0,2]=4 1760 B15R1.4390 CCC(CSC)OCCc1scnc1C c09e1f0da1893f35316b09809b95d3ad [0,2,0,0,0,0|0,1,1]=4 1761 B15R1.4390 CCCC(C#N)OCCc1scnc1C d03c922ec5c17eba86e23ebe2635366a [0,2,0,0,0,0|1,0,1]=4 1762 B15R1.4390 CCCC(CC)OCCc1scnc1C 69e56bca5e4ede1fe31d00d30b1321d3 [0,2,0,0,0,0|1,0,1]=4 1763 B15R1.4390 CC[C@H](CC#N)OCCc1scnc1C 3ce844a97490b8242a091bd0da8b82dd [0,2,0,0,0,0|1,0,1]=4 1764 B15R1.4390 Cc1ncsc1CCOC(CBr)CCBr d95e17fb7021167e43ba22586a302983 [0,2,0,0,0,0|1,0,1]=4 1765 B15R1.4390 Cc1ncsc1CCOC(CCl)CCCl faa93c4808f293abdbb314b8f182ba17 [0,2,0,0,0,0|1,0,1]=4 1766 B15R1.4390 Cc1ncsc1CCO[C@@H](CO)CCO 3f1bf4f2c864f069db77ce83df540843 [0,2,0,0,0,0|0,0,2]=4 1767 B15R1.4574 CCCC(=O)COC(C)c1scnc1C 6c1c790436245b877fda746b1f380855 [0,2,0,0,0,0|2,0,0]=4 1768 B15R1.4574 CCNC(=O)COC(C)c1scnc1C 92674fe024bd3fca64aeb11257a1d54a [0,2,0,0,0,0|2,0,0]=4 1769 B15R1.4574 CCOC(=O)COC(C)c1scnc1C 1efbe398bbf2a2e2a7d86ab648c5f721 [0,2,0,0,0,0|2,0,0]=4 1770 B15R1.9902 C#CCC(=O)NCCc1sc(nc1C)C e183adc929f025c168075ebe4ab6daf8 [0,2,0,0,0,0|1,0,1]=4 1771 B15R1.9902 C/C=C/C(=O)NCCc1sc(nc1C)C 03a0cec8be047f86711b368bbba3058a [0,2,0,0,0,0|1,0,1]=4 1772 B15R1.9902 C=CCC(=O)NCCc1sc(nc1C)C 4b8110dc2e32685df8cf37a2474bfcde [0,2,0,0,0,0|1,0,1]=4 1773 B15R1.9902 CC#CC(=O)NCCc1sc(nc1C)C 0a4a97d4e2ef115d4fc23872cd58f4bc [0,2,0,0,0,0|1,0,1]=4 1774 B15R1.9902 CCCC(=O)CNCc1sc(nc1C)Br af2cdc08538534ddf7b2418f4696c262 [0,2,0,0,0,0|2,0,0]=4 1775 B15R1.9902 CCCC(=O)CNCc1sc(nc1C)C f320f25dd5319cb29463fa5d4cbf2315 [0,2,0,0,0,0|2,0,0]=4 1776 B15R1.9902 CCCC(=O)COCc1sc(nc1C)Br 7bb600fd8cad50184291a8e679718b6f [0,2,0,0,0,0|2,0,0]=4 1777 B15R1.9902 CCCC(=O)NCCc1sc(nc1C)C 6b7ccfb86f4161eb1a8a012a612fd1aa [0,2,0,0,0,0|1,0,0]=3 1778 B15R1.9902 CCNC(=O)CNCc1sc(nc1C)Br 1bbdf5b08fc85afa301165537ffa3a6e [0,2,0,0,0,0|2,0,0]=4 1779 B15R1.9902 CCNC(=O)CNCc1sc(nc1C)C f35d1cfadd8189ab881e686c3136a735 [0,2,0,0,0,0|2,0,0]=4 1780 B15R1.9902 CCNC(=O)COCc1sc(nc1C)Br e9b7a61ca919de08c9b05cc008c86d1b [0,2,0,0,0,0|2,0,0]=4 1781 B15R1.9902 CCNC(=O)COCc1sc(nc1C)C a235d6e9da34fdee12dd095bd4bb625c [0,2,0,0,0,0|2,0,0]=4 1782 B15R1.9902 CCOC(=O)CCNc1sc(nc1C)C 0988448fa8e53f98de5722660ffb1f69 [0,2,0,0,0,0|2,0,0]=4 1783 B15R1.9902 CCOC(=O)CCNc1sc(nc1C)N 15abe7e2677a252bca9fbaa9f6a9bdd6 [0,2,0,0,0,0|2,0,0]=4 1784 B15R1.9902 CCOC(=O)CNCc1sc(nc1C)Br b4a1158ea837df3d620ec10fe7756297 [0,2,0,0,0,0|2,0,0]=4 1785 B15R1.9902 CCOC(=O)CNCc1sc(nc1C)C 48f1f8a6685023e4265e0280e48ba97e [0,2,0,0,0,0|2,0,0]=4 1786 B15R1.9902 CCOC(=O)COCc1sc(nc1C)C b7b0e335327348fe8ae12aa52c95902b [0,2,0,0,0,0|2,0,0]=4 1787 B15R1.9902 CCSC(=O)OCOc1[nH]c(nc1C)C fde8a4a651202e035d9abd4b1aa88a8f [0,2,0,0,0,0|2,0,0]=4 1788 B15R1.9902 COCC(=O)NCCc1sc(nc1C)C 1d872c906b55cf5bddb6aa9e4c6f1fc3 [0,2,0,0,0,0|1,0,0]=3 1789 B15R1.9902 COCC(C)OCCc1sc(nc1C)C f7f787efc9e2428ded860e6c5bac3fce [0,2,0,0,0,0|1,0,1]=4 1790 B15R1.9902 CSCC(=O)NCCc1sc(nc1C)C 577c33f69db2fc7a52c6315325dc138d [0,2,0,0,0,0|1,0,0]=3 1791 B15R1.9902 Cc1nc(c(s1)CCNC(=O)CC#N)C 1b204330c0ae1b39976d09d7e78af5ae [0,2,0,0,0,0|1,0,1]=4 1792 B15R1.9902 Cc1nc(c(s1)CCNC(=O)CC=O)C 96dd30c158915c2dae3cddad676d4a3f [0,2,0,0,0,0|1,0,1]=4 1793 B15R1.9902 Cc1nc(c(s1)CCNC(=O)CCF)C 7c1a34970865109746a2c56193e98a8b [0,2,0,0,0,0|1,0,0]=3 1794 B15R1.9902 Cc1nc(c(s1)CCNC(=O)CCO)C 5e6953cea4b920ec60407229e87d359e [0,2,0,0,0,0|1,0,0]=3 1795 B15R1.9902 Cc1nc(c(s1)CCNC(=O)CCS)C 1f6b5cc4185f2763c09d18af4a83219a [0,2,0,0,0,0|1,0,0]=3 1796 B15R1.9902 Cc1nc(c(s1)CCNC(=O)CON)C e0a4951e4cedf35dc108b86eff27374a [0,2,0,0,0,0|2,0,0]=4 1797 B15R1.11480 CCC(=O)C(CC)OCc1scnc1C b15d420bd55d43ae2e952e3cf7e964f7 [0,2,0,0,0,0|2,0,0]=4 1798 B15R1.11821 CCC(=O)C(=O)NCc1sc(nc1C)Br 14f6f8ef7d21388b45bd56dc31a77359 [0,2,0,0,0,0|2,0,0]=4 1799 B15R1.11821 CCC(=O)C(=O)NCc1sc(nc1C)C 5bff20edba53446659c06896a724c7c6 [0,2,0,0,0,0|2,0,0]=4 1800 B15R1.11821 CCC(=O)C(C)NCc1sc(nc1C)Br c2d5107996be14dd309b7c4f52f43b72 [0,2,0,0,0,0|2,0,0]=4 1801 B15R1.11821 CCC(=O)C(C)NCc1sc(nc1C)C 876ba4891355ce21cd3cd3c7347fc10f [0,2,0,0,0,0|2,0,0]=4 1802 B15R1.10051 CCC(C=O)NCCc1sc(nc1C)C 05e4e001fdeffa324b079f5bfadc0a28 [0,2,0,0,0,0|1,0,1]=4 1803 B15R1.10051 CCC(C=O)OCCc1sc(nc1C)C 71b2dd5b91f6954af14f230ecedd9961 [0,2,0,0,0,0|0,0,1]=3 1804 B13R2.361 Cc1ncsc1NC2CC(=O)C2 724c118aa8438c8f2ae7360209bd8cb7 [1,0,0,1,0,0|2,0,0]=4 1805 B13R2.430 CC(=O)N1CCc2sccc2C1 0c3ec934eae6b4098596d25bf4f8902f [1,0,0,1,0,0|2,0,0]=4 1806 B13R2.430 CC(=O)N1CCc2scnc2C1 6df6944f15a000facb63e6d5d5aaf15a [1,0,0,1,0,0|1,0,0]=3 1807 B13R2.3140 Cc1ncsc1CCOC2CC2 6283056ee1621fb4b2879127dbd59cb8 [1,0,0,1,0,0|1,0,1]=4 1808 B13R2.449 CCCN1CCc2scnc2C1 df664904f6eb16b20b8ff1bef69726bb [1,0,0,1,0,0|1,0,1]=4 1809 B13R2.3152 Cc1ncsc1CCN2CCC2 ce8a08037a5373a6b903462885ec6537 [1,0,0,1,0,0|1,0,1]=4 1810 B13R2.531 CCC(=O)N1Cc2ncsc2C1 aff4514ad73749979a2e5980cae57d01 [0,0,0,1,1,0|1,0,0]=3 1811 B13R2.531 O=C(CF)N1Cc2ncsc2C1 10acbae09a9625da71755f38b313d84c [0,0,0,1,1,0|2,0,0]=4 1812 B13R2.531 O=C(CO)N1Cc2ncsc2C1 dcfe90e75f4c81ca13ff5e750ab8ccfc [0,0,0,1,1,0|2,0,0]=4 1813 B13R2.531 O=C(CS)N1Cc2ncsc2C1 9728bc95db474b6c44afe202aa3a5c4d [0,0,0,1,1,0|2,0,0]=4 1814 B15R2.287 Cc1ccsc1NCC2CCC(=O)N2 236b8c02a6befda732d7fe5f4bbf077a [0,0,0,1,0,1|2,0,0]=4 1815 B15R2.287 Cc1ccsc1NC[C@@H]2CCC(=O)N2 b3aec10540e0893102726b3aca1d2658 [0,0,0,1,0,1|2,0,0]=4 1816 B15R2.287 Cc1ccsc1NC[C@H]2CCC(=O)N2 9462346b177f3ee96026db0ee41cab07 [0,0,0,1,0,1|2,0,0]=4 1817 B15R2.287 Cc1n[nH]cc1NCC2CCC(=O)O2 c91dc8426813c2801e54b557cdf4c3e5 [0,0,0,1,0,1|2,0,0]=4 1818 B15R2.287 Cc1nc[nH]c1NCC2CCC(=O)N2 2ff78b394951a54252aa14570002c8ff [0,0,0,1,0,1|2,0,0]=4 1819 B15R2.287 Cc1nc[nH]c1NC[C@@H]2CCC(=O)N2 9d15712e37c7cfaa76c28400cf074f51 [0,0,0,1,0,1|2,0,0]=4 1820 B15R2.287 Cc1nc[nH]c1NC[C@H]2CCC(=O)N2 fd1b6f6ad38ef8898d843fe2f25493c1 [0,0,0,1,0,1|2,0,0]=4 1821 B15R2.287 Cc1ncoc1NCC2CCC(=O)N2 e062ea893a16cae0f84351ee90f5e2d7 [0,0,0,1,0,1|1,1,0]=4 1822 B15R2.287 Cc1ncoc1NC[C@@H]2CCC(=O)N2 4f4252fe931d2ab86b35814e90e5bb4a [0,0,0,1,0,1|1,1,0]=4 1823 B15R2.287 Cc1ncoc1NC[C@H]2CCC(=O)N2 7f87b6d8114cdbd3f271ffe7a740232a [0,0,0,1,0,1|1,1,0]=4 1824 B15R2.287 Cc1ncsc1CCN2CNC(=O)C2 bd9634c51c14ebcefcd9933270fd9053 [0,0,0,1,0,1|2,0,0]=4 1825 B15R2.287 Cc1ncsc1CNC2CNC(=O)C2 6645190bfe992dff18c6aa6122c3fd3b [0,0,0,1,0,1|2,0,0]=4 1826 B15R2.287 Cc1ncsc1CN[C@@H]2CNC(=O)C2 61aaca03ba6521a1372843bb87c877f2 [0,0,0,1,0,1|2,0,0]=4 1827 B15R2.287 Cc1ncsc1CN[C@H]2CNC(=O)C2 a6ac7a5b1bc2cc5e602099fe2f98daa0 [0,0,0,1,0,1|2,0,0]=4 1828 B15R2.287 Cc1ncsc1COC2C=CC(=O)O2 c6a804b5c4588a647cca20a761a91453 [0,0,0,1,0,1|0,0,2]=4 1829 B15R2.287 Cc1ncsc1COC2CNC(=O)C2 49085216d2427babae613ab2a8b13923 [0,0,0,1,0,1|2,0,0]=4 1830 B15R2.287 Cc1ncsc1COC2COC(=O)C2 80d91650f0af9333fb752fe8ed5d04f8 [0,0,0,1,0,1|2,0,0]=4 1831 B15R2.287 Cc1ncsc1CO[C@@H]2CNC(=O)C2 15578893581bac0e8c29c65c70ce6a07 [0,0,0,1,0,1|2,0,0]=4 1832 B15R2.287 Cc1ncsc1CO[C@@H]2COC(=O)C2 2542c9d57bd748dac8def5a1ad8dd570 [0,0,0,1,0,1|2,0,0]=4 1833 B15R2.287 Cc1ncsc1CO[C@H]2CNC(=O)C2 2a287ab863884884a0575e23d7aae4ce [0,0,0,1,0,1|2,0,0]=4 1834 B15R2.287 Cc1ncsc1CO[C@H]2COC(=O)C2 b776e749c6f35c9f85c8c3a1490b94cc [0,0,0,1,0,1|2,0,0]=4 1835 B15R2.287 Cc1ncsc1NCC2CCC(=O)N2 5a0026d9e3125aba418ca412e8b64978 [0,0,0,1,0,1|1,0,0]=3 1836 B15R2.287 Cc1ncsc1NCC2CCC(=O)O2 4a6ee7e4abbbb4e0c483764e578e4b53 [0,0,0,1,0,1|0,0,0]=2 1837 B15R2.287 Cc1ncsc1NCC2CNC(=O)C2 e823875384d8a6d5df0ce9ee9a421dac [0,0,0,1,0,1|2,0,0]=4 1838 B15R2.287 Cc1ncsc1NC[C@@H]2CCC(=O)N2 cbf3344c8aa1786b65bb28848f794c64 [0,0,0,1,0,1|1,0,0]=3 1839 B15R2.287 Cc1ncsc1NC[C@H]2CCC(=O)N2 1582f707cc91336d3acee0bcc01108ba [0,0,0,1,0,1|1,0,0]=3 1840 B15R2.287 Cc1nnsc1NCC2CCC(=O)N2 d28a7772ff5944cf9860e3142317a103 [0,0,0,1,0,1|2,0,0]=4 1841 B15R2.287 Cc1nnsc1NC[C@@H]2CCC(=O)N2 bd9c16fbffab0df226c27be6dbfaa990 [0,0,0,1,0,1|2,0,0]=4 1842 B15R2.287 Cc1nnsc1NC[C@H]2CCC(=O)N2 8fb18d2951df368fe00dd9128d670867 [0,0,0,1,0,1|2,0,0]=4 1843 B15R2.287 Cc1nocc1NCC2CCC(=O)O2 6840819c60df535f11456a2a937e9199 [0,0,0,1,0,1|2,0,0]=4 1844 B15R2.287 Cc1nonc1NCC2CCC(=O)O2 aeb4056e0c3ae16714594bd126ae44ee [0,0,0,1,0,1|2,0,0]=4 1845 B15R2.287 Cc1nscc1NCC2CCC(=O)O2 289350eb60c46723548cb796602b55ea [0,0,0,1,0,1|2,0,0]=4 1846 B15R2.287 Cc1sccc1NCC2CCC(=O)O2 39f8b988114ffeafc3e0bd2a0a7c16fe [0,0,0,1,0,1|2,0,0]=4 1847 B15R2.287 Cn1nccc1NCC2CCC(=O)O2 c08b72586543d747c974c697cfdabd9d [0,0,0,1,0,1|2,0,0]=4 1848 B15R2.287 Cn1nccc1OCC2CCC(=O)O2 71f56786e49589f9665c4e9128dcd08a [0,0,0,1,0,1|2,0,0]=4 1849 B15R2.287 Cn1ncnc1NCC2CCC(=O)O2 83b244d35140dbe5b2d4418761538c15 [0,0,0,1,0,1|2,0,0]=4 1850 B15R2.287 O=C1CCC(C1)OCc2scnc2Cl 1857b24c720ed0fca4af48520c38c81b [0,0,0,1,0,1|2,0,0]=4 1851 B15R2.522 Cc1nccn1CCOC2CCC2=O 75d1fd5a21c80d42617cf6a0b3f0269e [0,0,0,1,0,1|2,0,0]=4 1852 B15R2.522 Cc1ncsc1CCNC2CCC2=O b2077e8543aa47998f62cafa756f1516 [0,0,0,1,0,1|1,0,0]=3 1853 B15R2.522 Cc1ncsc1CCN[C@H]2CNC2=O 57a61579472e9cb1a36d8e64f2a915cb [0,0,0,1,0,1|2,0,0]=4 1854 B15R2.522 Cc1ncsc1CCOC2CCC2=O f3c5fc5b3f1ee51add5ddb0d8e432de6 [0,0,0,1,0,1|0,0,0]=2 1855 B15R2.522 Cc1ncsc1CNCC2COC2=O 2d3d715a4db029e2077b63007a93f8b0 [0,0,0,1,0,1|2,0,0]=4 1856 B15R2.522 Cc1ncsc1COCC2CCC2=O 496051cdafd61d116e9aacc7ef342dd5 [0,0,0,1,0,1|1,0,0]=3 1857 B15R2.522 Cc1ncsc1COCC2COC2=O 5e4ec30d4c42de3b42caf9cad7cfa7a4 [0,0,0,1,0,1|2,0,0]=4 1858 B15R2.522 Cc1ncsc1NCCC2CCC2=O a67c69ceced21459f595e79564cd3119 [0,0,0,1,0,1|1,0,0]=3 1859 B15R2.522 Cc1nnsc1COCC2CCC2=O 401db86177f1c0aa33b410499692f13b [0,0,0,1,0,1|2,0,0]=4 1860 B15R2.522 Cc1scnc1CCOC2CCC2=O 89c1babca10fe5ebffb8a2f1389b8916 [0,0,0,1,0,1|2,0,0]=4 1861 B15R2.522 O=C1CCC1COCc2scnc2Cl 2cb81040468a074ccb435c07a32ce764 [0,0,0,1,0,1|2,0,0]=4 1862 B15R2.997 Cc1ncsc1CCOCC2CC2C c9b77817a462c51c2d331083f32cd862 [0,0,0,1,0,1|1,0,1]=4 1863 B15R2.997 Cc1ncsc1CCOC[C@@H]2C[C@@H]2C 6a8962048a3069a66154808400be554d [0,0,0,1,0,1|1,0,1]=4 1864 B15R2.997 Cc1ncsc1CCOC[C@@H]2C[C@H]2C d2eac63ac3f8854a7077e6554579955e [0,0,0,1,0,1|1,0,1]=4 1865 B15R2.997 Cc1ncsc1CCOC[C@H]2C[C@@H]2C 6bc6ec74438d46f79237235a35e6f256 [0,0,0,1,0,1|1,0,1]=4 1866 B15R2.1510 Cc1ncsc1CN2CC=C(CC2)Br 07de54b65a9a9faffe143466b3e55622 [0,0,0,1,0,1|2,0,0]=4 1867 B15R2.1572 CCC(=O)COC1Cc2nccn2C1 fbd12bc285201af692aede8dcfd9d49b [0,0,0,1,0,1|2,0,0]=4 1868 B15R2.1572 CCC(=O)COC1Cc2ncnn2C1 f7d989e7af2e6cbf8f04fc47dfcb2208 [0,0,0,1,0,1|2,0,0]=4 1869 B15R2.1572 CCC(=O)CO[C@@H]1Cc2nccn2C1 f5c46c8239de537c9d968732de8356f9 [0,0,0,1,0,1|2,0,0]=4 1870 B15R2.1572 CCC(=O)CO[C@H]1Cc2nccn2C1 5af4fd791637261c8e547c9fdd5d6d6b [0,0,0,1,0,1|2,0,0]=4 1871 B15R2.1572 CCC(=O)OCN1Cc2ncsc2C1 abb29a4e43b843faa0827e2db1fd6a96 [0,0,0,1,0,1|0,0,0]=2 1872 B15R2.1572 CNC(=O)CCN1Cc2ncsc2C1 e1bf2d9fd20ae65c32177da04b3e8d96 [0,0,0,1,0,1|2,0,0]=4 1873 B15R2.1572 COC(=O)CCN1Cc2ncsc2C1 535ac5b6d78bc06de8e386f747c906b0 [0,0,0,1,0,1|2,0,0]=4 1874 B15R2.1572 COC(=O)OCN1Cc2ncsc2C1 28442ed0eb7d7bc94540e744fc17c4da [0,0,0,1,0,1|1,0,0]=3 1875 B15R2.4343 C=C(CC)CN1CCc2scnc2C1 b1df1c32d1c02f14d84b06f751446bd5 [0,0,0,1,0,1|2,0,0]=4 1876 B15R2.4343 CCC(=O)CN1CCc2[nH]cnc2C1 dfbf7de2b62f8a1c3948f7305d0ff3a3 [0,0,0,1,0,1|2,0,0]=4 1877 B15R2.4343 CCC(=O)CN1CCc2sccc2C1 1e1e1deaeb8f4dcf0906fe6507c2beeb [0,0,0,1,0,1|2,0,0]=4 1878 B15R2.4343 CCC(=O)CN1CCc2scnc2C1 78838e85f719af2b0301738657dad591 [0,0,0,1,0,1|1,0,0]=3 1879 B15R2.4343 CNC(=O)CN1CCc2scnc2C1 b14b2ceb575a8fa0db2570e5652afa63 [0,0,0,1,0,1|2,0,0]=4 1880 B15R2.4343 COC(=O)CN1CCc2scnc2C1 ebb6bc164b21aa5cc2798b45e6b37d12 [0,0,0,1,0,1|2,0,0]=4 1881 B15R2.4343 O=C(CO)CN1CCc2scnc2C1 36a9e00e670349f54ef8e3666c7675ec [0,0,0,1,0,1|2,0,0]=4 1882 B15R2.7609 Cc1ncsc1CCOCC2(CC2)Br 9200cf1a78c9e73aae148f5c88927468 [0,0,0,1,0,1|1,0,1]=4 1883 B15R2.7609 Cc1ncsc1CCOCC2(CC2)C 7c203bb96f529c5e50e7af1cb9e8c4fd [0,0,0,1,0,1|1,0,1]=4 1884 B15R2.7609 Cc1ncsc1CCOCC2(CC2)Cl 7cac29deab828a2896723d0260894892 [0,0,0,1,0,1|1,0,1]=4 1885 B15R2.7609 Cc1ncsc1CCOCC2(CC2)F 66eba447bcdee1b1b47e90a07b174c99 [0,0,0,1,0,1|1,0,1]=4 1886 B15R2.13901 Cc1ncsc1CCCOC2CCC2 73b598fb81d840e45a754b5b45de2286 [0,0,0,1,0,1|1,0,1]=4 1887 B15R2.13901 Cc1ncsc1CCOCC2CCC2 d8cf2b8ace9acb6cb789872b3a034566 [0,0,0,1,0,1|1,0,1]=4 1888 B15R2.13901 Cc1ncsc1CCOCC2CCO2 3be4158c4e06a26b337a04501df580bb [0,0,0,1,0,1|0,0,2]=4 1889 B15R2.13901 Cc1ncsc1CCOC[C@@H]2CCO2 bd0475d4b76ad65ca4a9181a913dd01f [0,0,0,1,0,1|0,0,2]=4 1890 B15R2.13901 Cc1ncsc1CCOC[C@H]2CCO2 73113d6442c34bbcb7eb00ff02f2e77b [0,0,0,1,0,1|0,0,2]=4 1891 B15R2.13901 Cc1ncsc1NCCOC2CCC2 7be69ee9efd228bbce36cda5ea20435e [0,0,0,1,0,1|1,0,1]=4 1892 B15R2.19057 COC(=O)C1CC1Nc2scnc2C f2411d9a56c016e83110e79d837bb31d [0,0,0,1,0,1|2,0,0]=4 1893 B15R2.19057 COC(=O)C1CN1Cc2scnc2C 91e7bcc54420cfafa1bb9b59f42e1a11 [0,0,0,1,0,1|2,0,0]=4 1894 B15R2.19057 COC(=O)[C@@H]1CN1Cc2scnc2C ccfbe123e355edb1e04057098b0f8503 [0,0,0,1,0,1|2,0,0]=4 1895 B15R2.1569 CCC(=O)NC1Cc2cccnc2C1 1527edc05fa377138f5ab70b321665cc [0,0,0,1,0,1|2,0,0]=4 1896 B15R2.1569 CCC(=O)NC1Cc2ccncc2C1 33f9b6f13c59253e6e486511906e3314 [0,0,0,1,0,1|2,0,0]=4 1897 B15R2.1601 CCC(=O)N1CCc2cccnc2C1 5156eb391f999171ead5fda6396dc282 [0,0,0,1,0,1|2,0,0]=4 1898 B15R2.1601 CCC(=O)N1CCc2ccncc2C1 0979328dea7965245a59df6c81c99417 [0,0,0,1,0,1|2,0,0]=4 1899 B15R2.1601 CCC(=O)N1CCc2nccnc2C1 68a3413c139d0232c3132ab2a26cefe4 [0,0,0,1,0,1|2,0,0]=4 1900 B15R2.1601 CCC(=O)N1CCc2ncncc2C1 ed9a0f89fec0abbcbb198b37361f81cf [0,0,0,1,0,1|2,0,0]=4 1901 B15R2.1586 CCC(=O)N1CCc2sccc2C1C 5c9100807fb39d399a54758e16175d8d [0,1,0,1,0,0|2,0,0]=4 1902 B15R2.4228 CC(C)C(=O)CN1Cc2ncsc2C1 4518c4e14ca051ae7293f652401297a3 [0,1,0,1,0,0|2,0,0]=4 1903 B15R2.4239 C=C(C)C(=O)N1CCc2scnc2C1 560d619114f2a89d1e6415823f05508c [0,1,0,1,0,0|1,0,1]=4 1904 B15R2.4239 CC(=O)C(=O)N1CCc2scnc2C1 44b77e0d77de9029e4bfae02ef31b232 [0,1,0,1,0,0|1,0,1]=4 1905 B15R2.4239 CC(F)C(=O)N1CCc2sccc2C1 f6f794c9782a8193b554c15e9ea487ac [0,1,0,1,0,0|2,0,0]=4 1906 B15R2.4239 CC(F)C(=O)N1CCc2scnc2C1 ec421920fb7c588003c9bc0229be1262 [0,1,0,1,0,0|1,0,0]=3 1907 B15R2.4239 CC(O)C(=O)N1CCc2sccc2C1 e3d917f4b5285731879e332cb87ac1a5 [0,1,0,1,0,0|2,0,0]=4 1908 B15R2.4239 CC(O)C(=O)N1CCc2scnc2C1 9b1668fa4fb590a7af7dd2b84c5c3c68 [0,1,0,1,0,0|1,0,0]=3 1909 B15R2.4239 CC(S)C(=O)N1CCc2sccc2C1 cdce45c942b03ee41dac8c8cb5ce5ff3 [0,1,0,1,0,0|2,0,0]=4 1910 B15R2.4239 CC(S)C(=O)N1CCc2scnc2C1 c966914b85b4939c5f3b24e0ad31ce35 [0,1,0,1,0,0|1,0,0]=3 1911 B15R2.4239 C[C@@H](F)C(=O)N1CCc2sccc2C1 8a4abcacd9bc91014007a3c45e2276d8 [0,1,0,1,0,0|2,0,0]=4 1912 B15R2.4239 C[C@@H](F)C(=O)N1CCc2scnc2C1 18280f9968d9501aa741c68c9d562aa0 [0,1,0,1,0,0|1,0,0]=3 1913 B15R2.4239 C[C@@H](O)C(=O)N1CCc2sccc2C1 2e554724be8cf574b037b4f18e913993 [0,1,0,1,0,0|2,0,0]=4 1914 B15R2.4239 C[C@@H](O)C(=O)N1CCc2scnc2C1 94539039ec5f38e338a3696f2e637e1c [0,1,0,1,0,0|1,0,0]=3 1915 B15R2.4239 C[C@H](F)C(=O)N1CCc2sccc2C1 cb7c0f7650f785ca69dc50701648fffa [0,1,0,1,0,0|2,0,0]=4 1916 B15R2.4239 C[C@H](F)C(=O)N1CCc2scnc2C1 0103e86917a8d5701c630c940ce87f3c [0,1,0,1,0,0|1,0,0]=3 1917 B15R2.4239 C[C@H](O)C(=O)N1CCc2sccc2C1 47148f7efa0e71d0faae3c279403ddd9 [0,1,0,1,0,0|2,0,0]=4 1918 B15R2.4239 C[C@H](O)C(=O)N1CCc2scnc2C1 059906688985d6a5f8304d73daf34aac [0,1,0,1,0,0|1,0,0]=3 1919 B15R2.4239 O=C(C(F)F)N1CCc2scnc2C1 d00694f30cc612504972c01586fab711 [0,1,0,1,0,0|2,0,0]=4 1920 B15R2.4239 O=C(C(O)O)N1CCc2scnc2C1 0d56fac3a144b7be11bc4fa7f4aa3ec7 [0,1,0,1,0,0|2,0,0]=4 1921 B15R2.7643 Cc1ncsc1CNCC(=O)C2CC2 d617feaa48260d6a79dcb97be5f3f492 [0,1,0,1,0,0|2,0,0]=4 1922 B15R2.7643 Cc1ncsc1COCC(=O)C2CC2 bb278745a30dda466d5299472acb9ca7 [0,1,0,1,0,0|2,0,0]=4 1923 B15R2.7643 Cc1ncsc1NCOC(=O)C2CC2 c848a1d3e76d9868928a556c9347fc56 [0,1,0,1,0,0|1,0,0]=3 1924 B15R2.8490 Cc1ncsc1CCOC2CC2(C)C f4c5d78f0f54e1250c7dce84a48ef05c [0,1,0,1,0,0|1,0,1]=4 1925 B15R2.335 Cc1ncsc1CN2CCCC(=O)C2 043b8a33b3d58ea36a5b03ec865f4c2d [0,1,0,1,0,0|2,0,0]=4 1926 B15R2.335 Cc1ncsc1CN2CCNC(=O)C2 4c6e23483173ab1875ce65e7aa801d5a [0,1,0,1,0,0|2,0,0]=4 1927 B15R2.335 Cc1ncsc1CN2CCOC(=O)C2 8fcbd00c31f604e01dbe76ad1d822e40 [0,1,0,1,0,0|2,0,0]=4 1928 B15R2.335 Cc1ncsc1NC2CCCC(=O)C2 e5d173ce870057cbd8e59c6d6fceec37 [0,1,0,1,0,0|2,0,0]=4 1929 B15R2.7601 Cc1ncsc1CN(C)C2CCC2=O 4bb1069d6717b857de3e1cd107d7a407 [0,1,0,1,0,0|2,0,0]=4 1930 B15R2.404 Cc1ncsc1CCOC2C=CCC2 49332ee27778e58f7a586989adb28183 [0,1,0,1,0,0|1,0,1]=4 1931 B15R2.404 Cc1ncsc1CCOC2CCCC2 47b65e09fd188358d33c455625cbdefc [0,1,0,1,0,0|1,0,1]=4 1932 B15R2.404 Cc1ncsc1CCOC2CCCO2 a55d5c6256e60d926dad70fc0ad10f25 [0,1,0,1,0,0|0,0,2]=4 1933 B15R2.404 Cc1ncsc1CCOC2CCOC2 c16a40ada8e0270bbbebb011a751850d [0,1,0,1,0,0|0,0,2]=4 1934 B15R2.404 Cc1ncsc1CCOC2CCSC2 89a12efadbb56f2ce8fecbbbdfd179e0 [0,1,0,1,0,0|0,1,1]=4 1935 B15R2.404 Cc1ncsc1CCO[C@@H]2CCOC2 2e1bfcba055761416aa39fb5bf0c5e26 [0,1,0,1,0,0|0,0,2]=4 1936 B15R2.404 Cc1ncsc1CCO[C@@H]2CCSC2 a5abd028ad8214064a59f1b6f397b5d4 [0,1,0,1,0,0|0,1,1]=4 1937 B15R2.404 Cc1ncsc1CCO[C@H]2CCOC2 5c005c1468fb550e77df241f89c317c9 [0,1,0,1,0,0|0,0,2]=4 1938 B15R2.404 Cc1ncsc1CCO[C@H]2CCSC2 fe720fa1fca12a97d814885cad557faf [0,1,0,1,0,0|0,1,1]=4 1939 B15R2.411 Cc1ncsc1CNC2CCCC2=O a0e0ccf99384232312a02fe4cc1693ef [0,1,0,1,0,0|2,0,0]=4 1940 B15R2.411 Cc1ncsc1CNC2CCNC2=O 4f5d1c0f61bbe503211c5247d03398cc [0,1,0,1,0,0|2,0,0]=4 1941 B15R2.411 Cc1ncsc1CNC2CCSC2=O 9e34923a5fd544d30612b4c84b7b70eb [0,1,0,1,0,0|2,0,0]=4 1942 B15R2.411 Cc1ncsc1CN[C@@H]2CCNC2=O 051a4096c07e2cb1db7f71c3c4b69f96 [0,1,0,1,0,0|2,0,0]=4 1943 B15R2.411 Cc1ncsc1CN[C@H]2CCNC2=O a1644e6eff2653358a87cf20c8b04a51 [0,1,0,1,0,0|2,0,0]=4 1944 B15R2.411 Cc1ncsc1COC2=CCCC2=O 0934a318553e487f8898e03abdf8a438 [0,1,0,1,0,0|2,0,0]=4 1945 B15R2.411 Cc1ncsc1COC2CCCC2=O 4b10c2b8d0b31955bef6e9a1f763927d [0,1,0,1,0,0|2,0,0]=4 1946 B15R2.411 Cc1ncsc1COC2CCNC2=O e3add05edbfe7a9b86f5cb2f2639f4f4 [0,1,0,1,0,0|2,0,0]=4 1947 B15R2.411 Cc1ncsc1CO[C@@H]2CCNC2=O 9c2cd02350992f14ae4df8c3cc42a818 [0,1,0,1,0,0|2,0,0]=4 1948 B15R2.411 Cc1ncsc1CO[C@H]2CCNC2=O 6333989ddb2d17bae9d17c2f34a8afcb [0,1,0,1,0,0|2,0,0]=4 1949 B15R2.411 Cc1ncsc1NCC2CCNC2=O 597bad06748d5a5ad4ac5fc1d446f02c [0,1,0,1,0,0|2,0,0]=4 1950 B15R2.411 Cc1ncsc1NCN2CCCC2=O 7e0fe1ce3c17ad1f899cd0d225e27548 [0,1,0,1,0,0|2,0,0]=4 1951 B15R2.1350 C#CCC(=O)N1CCc2scnc2C1 dde0214ae18abdbda7e1c4d31d818b2f [0,1,0,1,0,0|1,0,1]=4 1952 B15R2.1350 C/C=C/C(=O)N1CCc2scnc2C1 39f6ab3023c9cef8263d254e274069b8 [0,1,0,1,0,0|1,0,1]=4 1953 B15R2.1350 C=CCC(=O)N1CCc2scnc2C1 215a056c83dbc4dcdf684482246ad560 [0,1,0,1,0,0|1,0,1]=4 1954 B15R2.1350 CC#CC(=O)N1CCc2scnc2C1 425ba1ece2f564661d314bbc26bdd29a [0,1,0,1,0,0|1,0,1]=4 1955 B15R2.1350 CCCC(=O)N1CCc2sccc2C1 0e283922aa9172d388e4a932d1bad7d2 [0,1,0,1,0,0|2,0,0]=4 1956 B15R2.1350 CCCC(=O)N1CCc2scnc2C1 4d4a721643ad8f30d93d78f18808c3ea [0,1,0,1,0,0|1,0,0]=3 1957 B15R2.1350 COCC(=O)N1CCc2sccc2C1 0732e440fa6073eb1fe91ca727ca773c [0,1,0,1,0,0|2,0,0]=4 1958 B15R2.1350 COCC(=O)N1CCc2scnc2C1 1544f02e28e3312cf050a83e1d347720 [0,1,0,1,0,0|1,0,0]=3 1959 B15R2.1350 CSCC(=O)N1CCc2sccc2C1 e544ddf88cfd9dfaf6be00d1991a322b [0,1,0,1,0,0|2,0,0]=4 1960 B15R2.1350 CSCC(=O)N1CCc2scnc2C1 f4d5fad94df3c676edcec86aad57165c [0,1,0,1,0,0|1,0,0]=3 1961 B15R2.1350 N#CCC(=O)N1CCc2scnc2C1 92faec3645c1e3216ec4f02d3d450b11 [0,1,0,1,0,0|1,0,1]=4 1962 B15R2.1350 NOCC(=O)N1CCc2scnc2C1 e41f7704a6461fb77d30f8f494b435cf [0,1,0,1,0,0|2,0,0]=4 1963 B15R2.1350 O=C(CCF)N1CCc2sccc2C1 a30e12aa3cad6556c88bb822bc6cbc83 [0,1,0,1,0,0|2,0,0]=4 1964 B15R2.1350 O=C(CCF)N1CCc2scnc2C1 d4eebe7a59da9153e33f68571e445750 [0,1,0,1,0,0|1,0,0]=3 1965 B15R2.1350 O=C(CCO)N1CCc2sccc2C1 5fac0091c2ae0c935ee81665d09a464f [0,1,0,1,0,0|2,0,0]=4 1966 B15R2.1350 O=C(CCO)N1CCc2scnc2C1 f2eaf96d4f07d023b16bca78b4985fb8 [0,1,0,1,0,0|1,0,0]=3 1967 B15R2.1350 O=C(CCS)N1CCc2sccc2C1 038eb2d0bbd6d9767151956deae7d58d [0,1,0,1,0,0|2,0,0]=4 1968 B15R2.1350 O=C(CCS)N1CCc2scnc2C1 12a8d7d6f0f36d584f4e714a384e115a [0,1,0,1,0,0|1,0,0]=3 1969 B15R2.1350 O=CCC(=O)N1CCc2scnc2C1 2e133171cd0ddd7c4973c0a11bb2ecf8 [0,1,0,1,0,0|1,0,1]=4 1970 B15R2.2146 CCCC(=O)CN1Cc2ncsc2C1 ada4b8d12ce1f8fefff87356db92a03b [0,1,0,1,0,0|2,0,0]=4 1971 B15R2.2146 CCNC(=O)CN1Cc2ncsc2C1 72c0f770c857d59ab79b3a44c67137ad [0,1,0,1,0,0|2,0,0]=4 1972 B15R2.2146 CCOC(=O)CN1Cc2ncsc2C1 2ab6eb1c121c83ade3a191d4f1eec0a0 [0,1,0,1,0,0|2,0,0]=4 1973 B15R2.7608 Cc1ncsc1CCOC2CC(C2)C 008355a3e98c911f339500037c83492c [0,1,0,1,0,0|1,0,1]=4 1974 B15R2.7608 Cc1ncsc1CCOC2CC(C2)F 523021956935724e63c73528d060cd53 [0,1,0,1,0,0|1,0,1]=4 1975 B15R2.7608 Cc1ncsc1CCOC2CN(C2)C 293eaf54cdda9035a8e798af5d78325c [0,1,0,1,0,0|1,0,1]=4 1976 B15R2.7608 Cc1ncsc1CCO[C@H]2C[C@@H](C2)F 4573411ece5de58de34f88e9ab5d001f [0,1,0,1,0,0|1,0,1]=4 1977 B15R2.7608 Cc1ncsc1CCO[C@H]2C[C@H](C2)F 7e7356a8d88f8fe1d67d2644405df593 [0,1,0,1,0,0|1,0,1]=4 1978 B15R2.2157 CCC(=O)C(=O)N1Cc2ncsc2C1 857f24a219fa384b1bd386ca91a37e3c [0,1,0,1,0,0|2,0,0]=4 1979 B15R2.79412 CCC(=O)N1CCc2c(ncn2C)C1 a4bc255ac017ddc0753201bfc1501ee0 [0,1,0,1,0,0|2,0,0]=4 1980 B15R2.7103 Cc1nc(c(s1)CCOC2CCC2)C 810177aa4dcd805404c11d5878a9b49d [0,1,0,1,0,0|1,0,1]=4 1981 B15R2.7227 Cc1nc(c(s1)CNC2CCC2=O)C f0c306ee3cce9f0826108e246b3af15d [0,1,0,1,0,0|2,0,0]=4 1982 B15R2.7227 Cc1nc(sc1CNC2CCC2=O)Br c409cfc7bf893064e8946935d5c1f6f7 [0,1,0,1,0,0|2,0,0]=4 1983 B15R2.19280 CCC(=O)N1CCc2oc(nc2C1)C 8261387989183848a0302c1de92ca3ab [0,1,0,1,0,0|1,1,0]=4 1984 B15R2.19280 CCC(=O)N1CCc2sc(cc2C1)Br cb5ae37d37b643894a920447f3f1d2f6 [0,1,0,1,0,0|2,0,0]=4 1985 B15R2.81075 CCC(=O)CN1Cc2nc(sc2C1)C 1ac3cde89f6062fb33963275e0c31317 [0,1,0,1,0,0|2,0,0]=4 1986 B15R2.1198 CCC(C=O)N1CCc2scnc2C1 7747a176f7cb1cf5467fc1c821c720ba [0,1,0,1,0,0|1,0,1]=4 1987 B11R1.90 C=C(C)CNc1scnc1C fb97117e59ec2ea7b11f636783edab34 [1,0,0,0,1,0|2,0,0]=4 1988 B11R1.90 CC(=O)CNc1scnc1C 54d07dafb1770d143ef0644844578c24 [1,0,0,0,1,0|1,0,0]=3 1989 B11R1.90 CC(=O)NCc1scnc1Br 93689180a97bbc7a2baafc901e4f42cc [1,0,0,0,1,0|2,0,0]=4 1990 B11R1.90 CC(=O)NCc1scnc1C 589e78d4eb9f0a6d802bb730d38ce454 [1,0,0,0,1,0|1,0,0]=3 1991 B11R1.90 CC(=O)NCc1snnc1C 3bcf76dfa2e2f10b9c5abfe76c4b2b57 [1,0,0,0,1,0|2,0,0]=4 1992 B11R1.90 Cc1ncsc1COC(C)C 77bffa14fb367206ae7c1269caca4d67 [1,0,0,0,1,0|1,0,1]=4 1993 B11R1.90 Cc1ncsc1NCC(=O)N 44c11f132443394cfe229f8971c4f121 [1,0,0,0,1,0|2,0,0]=4 1994 B11R1.90 Cc1ncsc1NCC(=O)O 23a180e40897b7b0e9ce0b672a350c2a [1,0,0,0,1,0|2,0,0]=4 1995 B11R1.25 C=C(CC)CNc1cncs1 31cc40e329d7741956a9f2cfbfff6cbf [1,0,0,0,1,0|2,0,0]=4 1996 B11R1.25 CCC(=O)CNc1cccs1 b4fbace754947742811c99821187431d [1,0,0,0,1,0|2,0,0]=4 1997 B11R1.25 CCC(=O)CNc1cncs1 6c4daeb0baf3bb577a1698df3aadcc2a [1,0,0,0,1,0|1,0,0]=3 1998 B11R1.25 CCC(=O)CNc1cnns1 c188a415ed60368b7e441f5a2fa4b3f8 [1,0,0,0,1,0|2,0,0]=4 1999 B11R1.25 CCC(=O)CNc1nncs1 d5123f43be9bf6972bcdff4b848fe5b0 [1,0,0,0,1,0|2,0,0]=4 2000 B11R1.25 CCC(=O)COc1cccs1 62a1dd7ee9a489d60b74777043a9f2b4 [1,0,0,0,1,0|2,0,0]=4 2001 B11R1.25 CCC(=O)COc1nncs1 820623a549570cb65dac93659e0e3a6e [1,0,0,0,1,0|2,0,0]=4 2002 B11R1.25 CCC(=O)NCc1cccs1 6c557a7153df782ceae55abb6bb418b3 [1,0,0,0,1,0|2,0,0]=4 2003 B11R1.25 CCC(=O)NCc1cnco1 761288d4d2fa2ef7d951297da2e35f88 [1,0,0,0,1,0|1,1,0]=4 2004 B11R1.25 CCC(=O)NCc1cncs1 642bc0d4cafddf9cfcfcd52e8a1581c9 [1,0,0,0,1,0|1,0,0]=3 2005 B11R1.25 CNC(=O)CNc1cncs1 b2508b0fd16a6dee15532974608ed888 [1,0,0,0,1,0|2,0,0]=4 2006 B11R1.25 COC(=O)CNc1cncs1 c01a099ef8dc3588d722571f51d1b087 [1,0,0,0,1,0|2,0,0]=4 2007 B11R1.25 O=C(CF)NCc1cncs1 80931ed98c091c0d44e0eda3301389b2 [1,0,0,0,1,0|2,0,0]=4 2008 B11R1.25 O=C(CO)CNc1cncs1 fcbfd578c3981ba268fa75874125c4c8 [1,0,0,0,1,0|2,0,0]=4 2009 B11R1.25 O=C(CO)NCc1cncs1 ed003aa244bdb50fb4baaedf7d0fc0f9 [1,0,0,0,1,0|2,0,0]=4 2010 B11R1.25 O=C(CS)NCc1cncs1 f1e539095d224c77037ada0076ba92a4 [1,0,0,0,1,0|2,0,0]=4 2011 B11R1.228 CCC(=O)Nc1scnc1C 21a80faa0f046d24ad27a74a70c85d93 [0,0,0,0,2,0|1,0,0]=3 2012 B11R1.228 CCN(C)Cc1scnc1C 5e7eed1c28b76dc7001a590a52643d49 [0,0,0,0,2,0|2,0,0]=4 2013 B11R1.228 Cc1ncsc1NC(=O)CF 77327307398e4402e1cef93da9f4972b [0,0,0,0,2,0|2,0,0]=4 2014 B11R1.228 Cc1ncsc1NC(=O)CO 518beb2d3a8e2e0f7852916a517ddd8f [0,0,0,0,2,0|2,0,0]=4 2015 B11R1.228 Cc1ncsc1NC(=O)CS 651aaf4fe1ef9f78581841c61534c348 [0,0,0,0,2,0|2,0,0]=4 2016 B13R1.149 CC(=O)NCCc1ccnc(c1)C 1a78be0134983529bbd5e6eed4dba960 [1,0,0,0,0,1|2,0,0]=4 2017 B13R1.149 CC(=O)OCNc1cc(ncn1)C 7ea252725cc6477771b0b06db31a25a9 [1,0,0,0,0,1|2,0,0]=4 2018 B13R1.149 CC(=O)OCNc1ccnc(c1)C 80739ac5d756e689f49355d36618530e [1,0,0,0,0,1|2,0,0]=4 2019 B13R1.149 CC(=O)OCNc1ccnc(n1)C 0ce503df6cd2c7bb05adff4644c01f35 [1,0,0,0,0,1|2,0,0]=4 2020 B13R1.149 CC(=O)OCOc1cc(ncn1)C 16dd46955d8e11c30595745f1888aaf1 [1,0,0,0,0,1|2,0,0]=4 2021 B13R1.149 CC(=O)OCOc1ccnc(c1)C 7c888a39cc258052c3fd3d21ac4b82a3 [1,0,0,0,0,1|2,0,0]=4 2022 B13R1.149 CC(=O)OCOc1ccnc(n1)C 5283ee1856e7691b5c9476f7e686d31d [1,0,0,0,0,1|2,0,0]=4 2023 B13R1.158 CC(=O)OCNc1cccnc1C 1f61f65071f8ca56e6eec1a0457b48bc [1,0,0,0,0,1|2,0,0]=4 2024 B13R1.158 CC(=O)OCNc1ccncc1C c0041901b27019208b11c0e46d812192 [1,0,0,0,0,1|2,0,0]=4 2025 B13R1.158 CC(=O)OCNc1ccnnc1C 154c9b24b23113237d0fa1c9b124ec89 [1,0,0,0,0,1|2,0,0]=4 2026 B13R1.158 CC(=O)OCNc1nccnc1C d102fcf0d3b8f73e06a75ac74f4579ac [1,0,0,0,0,1|2,0,0]=4 2027 B13R1.158 CC(=O)OCNc1ncncc1C 98a458ce5b8b765d90edb2e7d9f231d7 [1,0,0,0,0,1|2,0,0]=4 2028 B13R1.158 CC(=O)OCOc1cccnc1C b6864544a40ea07595789723c39191b7 [1,0,0,0,0,1|2,0,0]=4 2029 B13R1.158 CC(=O)OCOc1ccncc1C 646f70044426cddfbe56166e8868befc [1,0,0,0,0,1|2,0,0]=4 2030 B13R1.158 CC(=O)OCOc1cncnc1C b4290ee3c4afa9ab613b6d0a8abd07ef [1,0,0,0,0,1|2,0,0]=4 2031 B13R1.158 CC(=O)OCOc1nccnc1C 8db78283ba3d3f273d4d1be6537a71de [1,0,0,0,0,1|2,0,0]=4 2032 B13R1.158 CC(=O)OCOc1ncncc1C f9214cbd2c1bdef6469946bf809bd3a7 [1,0,0,0,0,1|2,0,0]=4 2033 B13R1.555 CCCOCCc1ccncc1C 8102b9a31ae0b62b887f88bc5ab5f106 [1,0,0,0,0,1|1,0,1]=4 2034 B13R1.555 CCCOCCc1nccnc1C 12156d9d49a1a38ed4f04b0df21658e2 [1,0,0,0,0,1|1,0,1]=4 2035 B15R1.942 CCC(=O)CNCCc1ccnc(c1)C 9fc7aa3ea79ac33824cb67c45ad3ddff [0,0,0,0,0,2|2,0,0]=4 2036 B15R1.942 CCC(=O)COCCc1cccc(c1)C b6c7a6d8a0babc9cf9ebf4d2571a7f19 [0,0,0,0,0,2|2,0,0]=4 2037 B15R1.942 CCC(=O)COCCc1cccc(n1)C 10ffd363c2a0adc8a7105561a734ecb1 [0,0,0,0,0,2|2,0,0]=4 2038 B15R1.942 CCC(=O)COCCc1ccnc(c1)Cl 559ae7ffb8f35cae703dd91a6e90b0ce [0,0,0,0,0,2|2,0,0]=4 2039 B15R1.942 CCC(=O)NCCNc1ccnc(c1)C 40c1288d8ad995178c2a7cdd90477f63 [0,0,0,0,0,2|2,0,0]=4 2040 B15R1.942 CCC(=O)NCCNc1ccnc(n1)C 0cefa9769225d0b9ef86da189a6564c8 [0,0,0,0,0,2|2,0,0]=4 2041 B15R1.942 CCC(=O)OCNCc1cc(ccn1)C 7d9407f76f4488cb53b83aa0951426e6 [0,0,0,0,0,2|2,0,0]=4 2042 B15R1.942 CCC(=O)OCNCc1cccc(c1)C d7d8775ffb537f45eaee4fee53204b9d [0,0,0,0,0,2|2,0,0]=4 2043 B15R1.942 CCC(=O)OCNCc1cccc(n1)C 3e55968043e4aa96b23ccc005e9fb2a3 [0,0,0,0,0,2|2,0,0]=4 2044 B15R1.942 CCC(=O)OCNCc1ccnc(c1)Br 7281d78a84754cec2705390fd5ce1d74 [0,0,0,0,0,2|2,0,0]=4 2045 B15R1.942 CCC(=O)OCNCc1ccnc(c1)C 01c2cfa29f555721c7312a2eff145d67 [0,0,0,0,0,2|1,0,0]=3 2046 B15R1.942 CCC(=O)OCNCc1ccnc(c1)Cl 7d93262d3fd1a39ffb1ed16b8dbfd2ef [0,0,0,0,0,2|2,0,0]=4 2047 B15R1.942 CCC(=O)OCNCc1ccnc(c1)F 897941266666ab6f1a16f6f5d0948bf9 [0,0,0,0,0,2|2,0,0]=4 2048 B15R1.942 CCC(=O)OCNCc1ccnc(n1)C 728582674c0dfa8aa4c35778260a29aa [0,0,0,0,0,2|1,0,0]=3 2049 B15R1.942 CCC(=O)OCNCc1nccc(n1)C 084f09a44efa37340e5fd2e755574b8c [0,0,0,0,0,2|2,0,0]=4 2050 B15R1.942 CCC(=O)OCOCc1cc(ccn1)C 31585f83dd297ea7a3da8f537aa5cee5 [0,0,0,0,0,2|2,0,0]=4 2051 B15R1.942 CCC(=O)OCOCc1cc(ncn1)C 65ef1d47723a44d0bf72533898b97ab8 [0,0,0,0,0,2|1,0,0]=3 2052 B15R1.942 CCC(=O)OCOCc1cc(ncn1)Cl 9d1ac659c2adf3d8c934460de30d5f77 [0,0,0,0,0,2|2,0,0]=4 2053 B15R1.942 CCC(=O)OCOCc1cccc(c1)C ce14241fd0cee2c805b1f3e01697b22d [0,0,0,0,0,2|2,0,0]=4 2054 B15R1.942 CCC(=O)OCOCc1cccc(n1)C a5dac9a4281cdadd9687dbf866a62404 [0,0,0,0,0,2|2,0,0]=4 2055 B15R1.942 CCC(=O)OCOCc1ccnc(=O)[nH]1 6b436d2ce41db922f04a7d94fbdc2ed3 [0,0,0,0,0,2|2,0,0]=4 2056 B15R1.942 CCC(=O)OCOCc1ccnc(c1)Br 43f1b3b4c94225920c996da106246b94 [0,0,0,0,0,2|2,0,0]=4 2057 B15R1.942 CCC(=O)OCOCc1ccnc(c1)C 049a7f149624350632b5f1db4340f692 [0,0,0,0,0,2|1,0,0]=3 2058 B15R1.942 CCC(=O)OCOCc1ccnc(c1)Cl c79403953b68bf9027d81030cee8e0e3 [0,0,0,0,0,2|2,0,0]=4 2059 B15R1.942 CCC(=O)OCOCc1ccnc(c1)F 6817d43af582a638b3d4ff85395c7bed [0,0,0,0,0,2|2,0,0]=4 2060 B15R1.942 CCC(=O)OCOCc1ccnc(n1)C 59ce7023cc0a1656aee8e9a118d8a157 [0,0,0,0,0,2|1,0,0]=3 2061 B15R1.942 CCC(=O)OCOCc1ccnc(n1)Cl c6b0fbe80f7f87c7d9e0a245a6543b00 [0,0,0,0,0,2|2,0,0]=4 2062 B15R1.942 CCC(=O)OCOCc1nccc(n1)C 94f4711f482cc4d89bfd8d393e2d0183 [0,0,0,0,0,2|2,0,0]=4 2063 B15R1.942 COC(=O)OCNCc1ccnc(c1)C 46499af30966d7b2e9334729e1c6ef49 [0,0,0,0,0,2|2,0,0]=4 2064 B15R1.942 COC(=O)OCNCc1ccnc(n1)C a02551556fbb82a3eabb1f04f4a8d79a [0,0,0,0,0,2|2,0,0]=4 2065 B15R1.942 COC(=O)OCOCc1cc(ncn1)C 391d515c17a05f465c84320f0f0cb6e2 [0,0,0,0,0,2|2,0,0]=4 2066 B15R1.942 COC(=O)OCOCc1ccnc(c1)C 8290cbda5fc13a11c1671acac8f2edbf [0,0,0,0,0,2|2,0,0]=4 2067 B15R1.942 COC(=O)OCOCc1ccnc(n1)C 5a3ae0d7e21ef5fa956879b341a0c70a [0,0,0,0,0,2|2,0,0]=4 2068 B15R1.1091 C=C(CC)COCCc1ccncc1C 98d5253085c07054d9722a8915ba5fee [0,0,0,0,0,2|2,0,0]=4 2069 B15R1.1091 C=C(CC)COCCc1nccnc1C 97dae90a3d8141fa5fcea894b9bdec6f [0,0,0,0,0,2|2,0,0]=4 2070 B15R1.1091 CCC(=O)COCCc1ccncc1C 681fa5b7a92ff3299ea3b3f0d98a364a [0,0,0,0,0,2|1,0,0]=3 2071 B15R1.1091 CCC(=O)COCCc1ccncc1Cl 97e4f663f95ec6407a677508e38b890a [0,0,0,0,0,2|2,0,0]=4 2072 B15R1.1091 CCC(=O)COCCc1ccncc1F f39cdb0b15e0862165564c1ef4a67cae [0,0,0,0,0,2|2,0,0]=4 2073 B15R1.1091 CCC(=O)COCCc1ncccc1C 9f53ee597474c375bc7498af28937569 [0,0,0,0,0,2|2,0,0]=4 2074 B15R1.1091 CCC(=O)COCCc1nccnc1C b596ede99ad4d85dd46afa4a26346b53 [0,0,0,0,0,2|1,0,0]=3 2075 B15R1.1091 CCC(=O)NCCNc1cccnc1C 165e98868917fad12b7d5c0751e210ff [0,0,0,0,0,2|2,0,0]=4 2076 B15R1.1091 CCC(=O)NCCNc1ccncc1C 8a6048371ba8c1847533b03ea481b05b [0,0,0,0,0,2|2,0,0]=4 2077 B15R1.1091 CCC(=O)NCCNc1nccnc1C b0b7dac82292253ed5828d74048a5067 [0,0,0,0,0,2|2,0,0]=4 2078 B15R1.1091 CCC(=O)OCNCc1cccnc1Br 9253fd0ca2cc69e76e2b95d3e9e21318 [0,0,0,0,0,2|2,0,0]=4 2079 B15R1.1091 CCC(=O)OCNCc1cccnc1C 4ef13251e0e9af70f0c0ff06227c97db [0,0,0,0,0,2|1,0,0]=3 2080 B15R1.1091 CCC(=O)OCNCc1cccnc1Cl b07e20ddaee1fa653feb5d5cfdab79f4 [0,0,0,0,0,2|2,0,0]=4 2081 B15R1.1091 CCC(=O)OCNCc1cccnc1F 0806aed648a39e8717a174023380d63a [0,0,0,0,0,2|2,0,0]=4 2082 B15R1.1091 CCC(=O)OCNCc1ccncc1Br 080e4295228ea389cf8421f45fc99b73 [0,0,0,0,0,2|2,0,0]=4 2083 B15R1.1091 CCC(=O)OCNCc1ccncc1C 92a3a1a9365be7278af9182b6f219741 [0,0,0,0,0,2|1,0,0]=3 2084 B15R1.1091 CCC(=O)OCNCc1ccncc1Cl 91e30fadf24ad69e59e2a870c526dbd3 [0,0,0,0,0,2|2,0,0]=4 2085 B15R1.1091 CCC(=O)OCNCc1ccncc1F 43e32de456b88f6b42a196eda7c499c5 [0,0,0,0,0,2|2,0,0]=4 2086 B15R1.1091 CCC(=O)OCNCc1nccnc1Cl 5434cc8183d8c78bda2c0136c8115cf3 [0,0,0,0,0,2|2,0,0]=4 2087 B15R1.1091 CCC(=O)OCOCc1cccnc1Br 680b7da5ce83bb95a76a012efb3e7987 [0,0,0,0,0,2|2,0,0]=4 2088 B15R1.1091 CCC(=O)OCOCc1cccnc1C 7049beaba9c541a0b140cd0d57ec780a [0,0,0,0,0,2|1,0,0]=3 2089 B15R1.1091 CCC(=O)OCOCc1cccnc1Cl f5d1375deacf1f3ddee6ed8fab301de8 [0,0,0,0,0,2|2,0,0]=4 2090 B15R1.1091 CCC(=O)OCOCc1cccnc1F 2171103478dd157afadfb12271fef5d8 [0,0,0,0,0,2|2,0,0]=4 2091 B15R1.1091 CCC(=O)OCOCc1ccncc1Br a9d56ba8ac4175ea60006f16a42d2dab [0,0,0,0,0,2|2,0,0]=4 2092 B15R1.1091 CCC(=O)OCOCc1ccncc1C 69d87dc699d73855f4936d907da4a41e [0,0,0,0,0,2|1,0,0]=3 2093 B15R1.1091 CCC(=O)OCOCc1ccncc1Cl 5ec7c32b238800e56ffa92b1fa1f663b [0,0,0,0,0,2|2,0,0]=4 2094 B15R1.1091 CCC(=O)OCOCc1ccncc1F 0f40e2be6a843ba61c300b72e9d23546 [0,0,0,0,0,2|2,0,0]=4 2095 B15R1.1091 CCC(=O)OCOCc1ccncc1I bf4ea600605a2008be715343c5adf489 [0,0,0,0,0,2|2,0,0]=4 2096 B15R1.1091 CCC(=O)OCOCc1ccnnc1C 15c34957de392d32b664fbb042061e72 [0,0,0,0,0,2|1,0,0]=3 2097 B15R1.1091 CCC(=O)OCOCc1cncnc1Cl cea4779741f8b81767a3a8f08199892e [0,0,0,0,0,2|2,0,0]=4 2098 B15R1.1091 CCC(=O)OCOCc1cnncc1C 92044169d6053f4071c56a1c9f7fa244 [0,0,0,0,0,2|2,0,0]=4 2099 B15R1.1091 CCC(=O)OCOCc1ncccc1C 601324beb58a706da3c2744bb10b3ffd [0,0,0,0,0,2|2,0,0]=4 2100 B15R1.1091 CCC(=O)OCOCc1nccnc1C 95d69afe778fefdb2e155674df41e64c [0,0,0,0,0,2|1,0,0]=3 2101 B15R1.1091 CCC(=O)OCOCc1nccnc1Cl d32013635ca6d473be37b8f2a4b31dab [0,0,0,0,0,2|2,0,0]=4 2102 B15R1.1091 CCC(=O)OCOCc1ncncc1Br 9ecb9f42e43b36f949e40e90cf258141 [0,0,0,0,0,2|2,0,0]=4 2103 B15R1.1091 CCC(=O)OCOCc1nnccc1C 50acf3f6a1992e4cd4f4e6d19fdee770 [0,0,0,0,0,2|2,0,0]=4 2104 B15R1.1091 CNC(=O)COCCc1ccncc1C 3dd3f6a908939a48b27e4fa2546cf1a9 [0,0,0,0,0,2|2,0,0]=4 2105 B15R1.1091 CNC(=O)COCCc1nccnc1C 9fd64fb35c5eeb334be34dc7b4da0541 [0,0,0,0,0,2|2,0,0]=4 2106 B15R1.1091 COC(=O)COCCc1ccncc1C 2a1a86741342c225460832013f6c02b7 [0,0,0,0,0,2|2,0,0]=4 2107 B15R1.1091 COC(=O)COCCc1nccnc1C 30cdb494f878e5ea861794d21f79f86a [0,0,0,0,0,2|2,0,0]=4 2108 B15R1.1091 COC(=O)OCNCc1cccnc1C 8d85ebff09aa7d903cfee9da5ee4c14f [0,0,0,0,0,2|2,0,0]=4 2109 B15R1.1091 COC(=O)OCNCc1ccncc1C b806f3ed69908e584d9437e4e3789e76 [0,0,0,0,0,2|2,0,0]=4 2110 B15R1.1091 COC(=O)OCOCc1cccnc1C 7195ba52a976583ce60d690929f9eaca [0,0,0,0,0,2|2,0,0]=4 2111 B15R1.1091 COC(=O)OCOCc1ccncc1C 2fda852835ade242fb386daeef923e57 [0,0,0,0,0,2|2,0,0]=4 2112 B15R1.1091 COC(=O)OCOCc1ccnnc1C 25d832c4552c0ee25df5538ff46bac14 [0,0,0,0,0,2|2,0,0]=4 2113 B15R1.1091 COC(=O)OCOCc1nccnc1C 75b798a406c381e2b3906542668b3fa5 [0,0,0,0,0,2|2,0,0]=4 2114 B15R1.3174 C=C(CC)CNCCCc1scnc1C 30f5a53e2f3dfcfcc6cdc69c006339da [0,0,0,0,0,2|2,0,0]=4 2115 B15R1.3174 C=C(CC)COCCCc1scnc1C c0626170c26de51383bccc186fbb4e90 [0,0,0,0,0,2|1,0,0]=3 2116 B15R1.3174 C=C(COCCCc1scnc1C)OC 3b6a0a07345c20435e4f614b7b898713 [0,0,0,0,0,2|2,0,0]=4 2117 B15R1.3174 C=CC(=O)NCOCCc1scnc1C 08c3264868c8345e579bb57bb0aa7da4 [0,0,0,0,0,2|0,0,2]=4 2118 B15R1.3174 C=CC(=O)OCCNCc1scnc1C 1697ecd0fd70af81eb5287857f68b817 [0,0,0,0,0,2|0,0,2]=4 2119 B15R1.3174 C=CC(=O)OCCOCc1scnc1C 4eb00ba688d1fc5b196d3ebed99c4956 [0,0,0,0,0,2|0,0,2]=4 2120 B15R1.3174 CCC(=O)CCCCNc1scnc1C 017c1bbf2987cc8cb196e969dddc3562 [0,0,0,0,0,2|1,0,0]=3 2121 B15R1.3174 CCC(=O)CNCCCc1scnc1C ca7895145dc6dc3499e0b56a2d9ab5d2 [0,0,0,0,0,2|1,0,0]=3 2122 B15R1.3174 CCC(=O)COCCCc1scnc1C 27841dfb35e87a5b2cac699acb70e0a2 [0,0,0,0,0,2|0,0,0]=2 2123 B15R1.3174 CCC(=O)COCCCn1ccnc1C 80c2cbc58cd218b40409d3cfc5a2bfb2 [0,0,0,0,0,2|2,0,0]=4 2124 B15R1.3174 CCC(=O)NCCNCc1scnc1C dc0cf36e7a16f83fc26bd74f8b6462aa [0,0,0,0,0,2|1,0,0]=3 2125 B15R1.3174 CCC(=O)NCCNCc1scnc1Cl eac9e3c532ee319696004028b0322413 [0,0,0,0,0,2|2,0,0]=4 2126 B15R1.3174 CCC(=O)NCCNCc1snnc1C 90331f13fbda9f825ee4111f7fc1991b [0,0,0,0,0,2|2,0,0]=4 2127 B15R1.3174 CCC(=O)NCCOCc1scnc1C 6c42edee02228b895cae407edd76d3df [0,0,0,0,0,2|1,0,0]=3 2128 B15R1.3174 CCC(=O)NCCOCc1scnc1Cl 36b3ea1a3a0078f2beff70d6ca7603fc [0,0,0,0,0,2|2,0,0]=4 2129 B15R1.3174 CCC(=O)NCCOCc1snnc1C b187b0e7dce3119b9fe17faeb39df775 [0,0,0,0,0,2|2,0,0]=4 2130 B15R1.3174 CCC(=O)OCCOCc1ccnn1C abf7ce1b31f636e9b5e55e6a157ea745 [0,0,0,0,0,2|2,0,0]=4 2131 B15R1.3174 CCC(=O)OCCOCc1ncoc1C b61a4ce4b96f93973610a0a353e705ad [0,0,0,0,0,2|2,0,0]=4 2132 B15R1.3174 CCC(=O)OCCOCc1nonc1C ba4a30236ec0ca13c97c4a53b49746e2 [0,0,0,0,0,2|2,0,0]=4 2133 B15R1.3174 CCC(=O)OCCOCc1scnc1C c74f6b41eee6eb4ce007a74e6190e5cf [0,0,0,0,0,2|0,0,0]=2 2134 B15R1.3174 CCC(=O)OCCOCc1scnc1Cl bee88b1f30d8b00bd22748a509428066 [0,0,0,0,0,2|1,0,0]=3 2135 B15R1.3174 CCC(=O)OCCOCc1snnc1C 586cf5660721ccd2fa60f39099f5249b [0,0,0,0,0,2|1,0,0]=3 2136 B15R1.3174 CCC(=O)OCNCCc1ccnn1C c343c27c2f76535d1b57836022c905dd [0,0,0,0,0,2|2,0,0]=4 2137 B15R1.3174 CCC(=O)OCOCCc1ncsc1C bb4995801ed5704ea07377ffc5410c01 [0,0,0,0,0,2|2,0,0]=4 2138 B15R1.3174 CCC(=O)OCOCCn1ccnc1C 89184d6938c7d2cf9f294978418dde82 [0,0,0,0,0,2|2,0,0]=4 2139 B15R1.3174 CCC(C)CCOCCc1scnc1C b365766127195cfba7f21e4f98290263 [0,0,0,0,0,2|1,0,1]=4 2140 B15R1.3174 CCC(C)COCCCc1scnc1C 752504c9c2fe7415b48a25a70d795bdd [0,0,0,0,0,2|1,0,1]=4 2141 B15R1.3174 CCC(S)CCOCCc1scnc1C 2c1111eb7945a1e09709a0b8584e6f16 [0,0,0,0,0,2|0,1,1]=4 2142 B15R1.3174 CCS(=O)CCOCCc1scnc1C 10c84a03f95a10e3f7574802d00cfa2a [0,0,0,0,0,2|1,0,0]=3 2143 B15R1.3174 CC[C@@H](C)COCCCc1scnc1C f2105779d8f9ffe27a4e986449e4c2e9 [0,0,0,0,0,2|1,0,1]=4 2144 B15R1.3174 CC[C@H](C)CCOCCc1scnc1C 08d98d2f78adf847b259fbdbc7baaf9b [0,0,0,0,0,2|1,0,1]=4 2145 B15R1.3174 CC[C@H](C)COCCCc1scnc1C 2e38f5abcd4ac8c1d64f36a2bfdfe299 [0,0,0,0,0,2|1,0,1]=4 2146 B15R1.3174 CNC(=O)CCCNCc1scnc1C 591c6ae7cc450133cc0673361956b396 [0,0,0,0,0,2|2,0,0]=4 2147 B15R1.3174 CNC(=O)CCCOCc1scnc1C 00d579a0af3830f05e37ac3ae0301246 [0,0,0,0,0,2|2,0,0]=4 2148 B15R1.3174 CNC(=O)CCNCCc1scnc1C 94ec4450b122a1995ee9a953fc0edf1b [0,0,0,0,0,2|2,0,0]=4 2149 B15R1.3174 CNC(=O)CCOCCc1scnc1C 1b362489e2ad1487db28b0617bc729be [0,0,0,0,0,2|1,0,0]=3 2150 B15R1.3174 CNC(=O)CNCCCc1scnc1C 1025970828bfd0740613ace9bd82be9e [0,0,0,0,0,2|2,0,0]=4 2151 B15R1.3174 CNC(=O)COCCCc1scnc1C f31a144cf2d77ff398012c22ace01560 [0,0,0,0,0,2|1,0,0]=3 2152 B15R1.3174 COC(=O)/C=C/CNCc1scnc1C 37dfb4c556bad2eb66ac9a836b3390a7 [0,0,0,0,0,2|2,0,0]=4 2153 B15R1.3174 COC(=O)/C=C/COCc1scnc1C 6b24cdbdc7d336e86e3b018c58c55d8a [0,0,0,0,0,2|2,0,0]=4 2154 B15R1.3174 COC(=O)/C=C\CNCc1scnc1C f0802e6dcae2ed49d2f2127e65dc35be [0,0,0,0,0,2|2,0,0]=4 2155 B15R1.3174 COC(=O)/C=C\COCc1scnc1C 4e7bec0ba2abbfa7bbc50e0413590970 [0,0,0,0,0,2|2,0,0]=4 2156 B15R1.3174 COC(=O)C#CCOCc1scnc1C 788c1f6558bc82f9b870bde4ec16f27f [0,0,0,0,0,2|2,0,0]=4 2157 B15R1.3174 COC(=O)C=CCNCc1scnc1C b2f0eef1d785ce6aad02d994e59c885c [0,0,0,0,0,2|2,0,0]=4 2158 B15R1.3174 COC(=O)C=CCOCc1scnc1C 40cb8b9cb0c131d2693557235eb0681e [0,0,0,0,0,2|2,0,0]=4 2159 B15R1.3174 COC(=O)CCCCNc1scnc1C d0f2452e52074c39e2fe0460d5c9b5fd [0,0,0,0,0,2|2,0,0]=4 2160 B15R1.3174 COC(=O)CCCNCc1scnc1C e5c19d06e2d01eef4c0606a758158d03 [0,0,0,0,0,2|2,0,0]=4 2161 B15R1.3174 COC(=O)CCCOCc1scnc1C 7769923f7aaa8bdf8c85ab988c5e3f66 [0,0,0,0,0,2|2,0,0]=4 2162 B15R1.3174 COC(=O)CCNCCc1scnc1C 06ede200cf3c9db00b23afcc1a6f1711 [0,0,0,0,0,2|2,0,0]=4 2163 B15R1.3174 COC(=O)CCOCCc1scnc1C 0fa159a531d37a8a04f75dfe1e699cdf [0,0,0,0,0,2|1,0,0]=3 2164 B15R1.3174 COC(=O)CNCCCc1scnc1C 651ca06153f7e97e6624d10cb626c276 [0,0,0,0,0,2|2,0,0]=4 2165 B15R1.3174 COC(=O)COCCCc1scnc1C 955f00cdccca14c90c4f26230d49d0ad [0,0,0,0,0,2|1,0,0]=3 2166 B15R1.3174 COC(=O)COCCNc1scnc1C 7c0c13745993bf1e6ae1589135a31c47 [0,0,0,0,0,2|1,0,0]=3 2167 B15R1.3174 COC(=O)OCCOCc1scnc1C 67277ea65370329d317aac821a41301c [0,0,0,0,0,2|1,0,0]=3 2168 B15R1.3174 COC(=O)OCCOCc1scnc1Cl 6d6617d091e08af80a79c72350b8600c [0,0,0,0,0,2|2,0,0]=4 2169 B15R1.3174 COC(=O)OCCOCc1snnc1C 312b73e2d123eb41d280c05d2a984a80 [0,0,0,0,0,2|2,0,0]=4 2170 B15R1.3174 COC(=O)OCNCCc1sccc1C 0f08c5ec1338632c8e8cc264c5568826 [0,0,0,0,0,2|2,0,0]=4 2171 B15R1.3174 COC(=O)OCNCCc1scnc1C 3be159cb67554cb513a5f508d42603eb [0,0,0,0,0,2|1,0,0]=3 2172 B15R1.3174 Cc1ncsc1CCCNCC(=O)CO bd57f160bca6f8cb9408e8a405a9da1d [0,0,0,0,0,2|2,0,0]=4