0 B14R2.144 C/C=C/CNc1nn2cnnc2s1 8a7f014854d0d2426f76d62671a66631 [0,0,1,0,0,0|2,0,1]=4 1 B14R2.144 C/C=C\CNc1nn2cnnc2s1 4044ca98ae84f223af71d9678b4a3dea [0,0,1,0,0,0|2,0,1]=4 2 B14R2.144 CC=CCNc1cn2cncc2s1 9f521d04860616ea30fd33eb5ac2b88d [0,0,1,0,0,0|2,0,1]=4 3 B14R2.296 Cc1ccccc1c2[nH]nnc2C 9f8da45196e3a8af8563fada9ff8e205 [0,0,1,0,0,0|3,0,0]=4 4 B14R2.296 Cc1ccccc1c2c[nH]nc2C 1d3d9d7f3fcc2be12cf9bc231314cee6 [0,0,1,0,0,0|2,0,1]=4 5 B14R2.296 Cc1ccccc1c2c[nH]nc2Cl 4dc08315947e5402e13617549c59cf00 [0,0,1,0,0,0|2,0,1]=4 6 B14R2.296 Cc1ccccc1c2c[nH]nc2F c7c49aa8f253ac19c6c9a1d03f0b183a [0,0,1,0,0,0|2,0,1]=4 7 B14R2.296 Cc1ccccc1c2c[nH]nc2N 2111d535810e68b676fa3e328e21af12 [0,0,1,0,0,0|2,0,1]=4 8 B14R2.296 Cc1ccccc1c2cnnn2C a5c7a95e926af50693aaa1efe492a18f [0,0,1,0,0,0|3,0,0]=4 9 B14R2.296 Cc1ccccc1c2cnoc2C f6cb48a1c9c2603160a1778ad741d847 [0,0,1,0,0,0|3,0,0]=4 10 B14R2.296 Cc1ccccc1c2conc2C ced4b83733126a16cb90e428419b15f3 [0,0,1,0,0,0|3,0,0]=4 11 B14R2.296 Cc1ccccc1c2conc2N 3611f79088e188b4c81ef9cb544ab438 [0,0,1,0,0,0|3,0,0]=4 12 B14R2.296 Cc1ccccc1c2csnc2C 1f6f7dbb92f3851da311390f0be1dd7a [0,0,1,0,0,0|3,0,0]=4 13 B14R2.296 Cc1ccccc1c2snnc2C fcede638437de37387f0d1242e70c7ea [0,0,1,0,0,0|3,0,0]=4 14 B14R2.296 O=c1[nH]cccc1n2ccnc2S e1b9dcceee0c4cecbdc4152c427f90db [0,0,1,0,0,0|3,0,0]=4 15 B14R2.296 Sc1ncccc1n2ccnc2S 7cb6eb8e29b0a190a2c0c5c3c02f5163 [0,0,1,0,0,0|3,0,0]=4 16 B14R2.296 [O-][n+]1ccccc1n2ccnc2S dd16589a72c9ecc9a4630f05b5eac03c [0,0,1,0,0,0|3,0,0]=4 17 B14R2.716 Cc1cccc(c1)Nc2cc[nH]n2 a47fff736babed905d3a97c0f96cd55b [0,0,1,0,0,0|2,0,1]=4 18 B14R2.716 Cc1cccc(c1)Nc2ccno2 eeda5a6df13fb17bf76d7c8bda2691e5 [0,0,1,0,0,0|3,0,0]=4 19 B14R2.716 Cc1cccc(c1)Nc2ccns2 31e9afd8a9f952ebdb2a0f3567835dfe [0,0,1,0,0,0|3,0,0]=4 20 B14R2.716 Cc1cccc(c1)Nc2ccon2 c85f5c221c7daebcb4a0ee3732ea5352 [0,0,1,0,0,0|3,0,0]=4 21 B14R2.716 Cc1cccc(c1)Nc2cncs2 f99de6e034b18dd901313abd99c1abe0 [0,0,1,0,0,0|3,0,0]=4 22 B14R2.716 Cc1cccc(c1)Nc2nccs2 16d39d2669cbd7e29ef23cddfa2ad6a5 [0,0,1,0,0,0|3,0,0]=4 23 B14R2.716 Cc1cccc(c1)Nc2nn[nH]n2 7e2d96dc92fa1841421f2aa3e6aaab25 [0,0,1,0,0,0|2,0,1]=4 24 B14R2.716 Cc1cccc(c1)Nc2nnco2 5f8c2eee491186780bbfa957cc6bc03f [0,0,1,0,0,0|2,0,0]=3 25 B14R2.716 Cc1cccc(c1)Nc2nncs2 4dc50754ef94169285d31b57c9b05443 [0,0,1,0,0,0|2,0,0]=3 26 B14R2.716 Cc1cccc(c1)Nc2nnns2 6fa21a09a1c9b699575ce8d3bf64dc66 [0,0,1,0,0,0|3,0,0]=4 27 B14R2.716 Cc1cccc(n1)Nc2nnco2 70b18ca2d0d96f09c1738cf8fae3d119 [0,0,1,0,0,0|3,0,0]=4 28 B14R2.716 Cc1ccnc(c1)Nc2nnco2 7b66c28911b2176dfcb362c6d7b5d3a5 [0,0,1,0,0,0|3,0,0]=4 29 B14R2.716 Cc1cncc(c1)Nc2ncc[nH]2 97cc55c4de2496999072c5a4e8e0894b [0,0,1,0,0,0|3,0,0]=4 30 B14R2.716 Cc1cncc(c1)Nc2nnco2 332a704b0805afbf384adb64c5740785 [0,0,1,0,0,0|3,0,0]=4 31 B14R2.716 Fc1cccc(c1)Nc2nnco2 5f686330e7ead95766069d4d28c2f683 [0,0,1,0,0,0|3,0,0]=4 32 B14R2.716 Oc1cccc(c1)Nc2ncc[nH]2 366977391d796004dcc40b1f6467a451 [0,0,1,0,0,0|3,0,0]=4 33 B14R2.716 Oc1cccc(c1)Nc2nnco2 ca804e1479d2654c9878b69d085a3b7e [0,0,1,0,0,0|3,0,0]=4 34 B14R2.716 Oc1cccc(c1)Nc2nncs2 0a4fd639ab70f008a7718c07512d6bcf [0,0,1,0,0,0|3,0,0]=4 35 B14R2.9066 Cc1cccc(c1c2cc[nH]c2)S 42956dfe6225582caedafe9ee49867a2 [0,0,1,0,0,0|2,0,1]=4 36 B14R2.9066 Cc1cccc(c1c2ccns2)S 5e2df095ed4a8e888d6a9aafa259fe2c [0,0,1,0,0,0|3,0,0]=4 37 B14R2.9066 Cc1cccc(c1c2ccoc2)S ced6185be26f3c4de240b879f590aaba [0,0,1,0,0,0|3,0,0]=4 38 B14R2.9066 Cc1cccc(c1c2ccsc2)S f0bf63b580d899c0a44aaa59b8b3c531 [0,0,1,0,0,0|3,0,0]=4 39 B14R2.9066 Cc1cccc(c1c2cn[nH]c2)C 5ceb8a76150bab7bad585c4fc03d6e20 [0,0,1,0,0,0|2,0,1]=4 40 B14R2.9066 Cc1cccc(c1c2cn[nH]c2)Cl 6ea15c857559ded8ad8818297f34f9f0 [0,0,1,0,0,0|2,0,1]=4 41 B14R2.9066 Cc1cccc(c1c2cn[nH]c2)F 0746f47a35c8f8c415e11729faf4fd0d [0,0,1,0,0,0|2,0,1]=4 42 B14R2.9066 Cc1cccc(c1c2cn[nH]c2)N 666dfe89fea4fcf81e602bd9c65c1b99 [0,0,1,0,0,0|2,0,1]=4 43 B14R2.9066 Cc1cccc(c1c2cn[nH]c2)O abdb0dcfe7d078f62f3261dec45f27b4 [0,0,1,0,0,0|1,1,1]=4 44 B14R2.9066 Cc1cccc(c1c2cn[nH]c2)S f11f1171f4830e129ac3a3d158aa1ffc [0,0,1,0,0,0|1,0,1]=3 45 B14R2.9066 Cc1cccc(c1c2cncs2)S af329d2d9b5ab3ee5cc972e0cc18548a [0,0,1,0,0,0|3,0,0]=4 46 B14R2.9066 Cc1cccc(c1c2cnns2)C 04d4021f3e50f53edba074647d9ee0b2 [0,0,1,0,0,0|3,0,0]=4 47 B14R2.9066 Cc1cccc(c1c2cnns2)Cl 3b9d2f1559563ac3301e770f8c092a6a [0,0,1,0,0,0|3,0,0]=4 48 B14R2.9066 Cc1cccc(c1c2cnns2)F 1abd80cd56f8d522d692d5c2d28f63be [0,0,1,0,0,0|3,0,0]=4 49 B14R2.9066 Cc1cccc(c1c2cnoc2)C 2430b47cfb89268d47bef1c635515b63 [0,0,1,0,0,0|3,0,0]=4 50 B14R2.9066 Cc1cccc(c1c2cnoc2)Cl 435066623de1ce8b4073cf45cc930e30 [0,0,1,0,0,0|3,0,0]=4 51 B14R2.9066 Cc1cccc(c1c2cnoc2)F 0793ebd238da37ad28a7a046512bfe24 [0,0,1,0,0,0|3,0,0]=4 52 B14R2.9066 Cc1cccc(c1c2cnoc2)N 059cd9176a5ad8b2918d48675e18a095 [0,0,1,0,0,0|3,0,0]=4 53 B14R2.9066 Cc1cccc(c1c2cnoc2)O ffe6e04e76fbe6c595e4be98ce1cc9bd [0,0,1,0,0,0|2,1,0]=4 54 B14R2.9066 Cc1cccc(c1c2cnoc2)S 190e7fee5815abc30c24b9860386bded [0,0,1,0,0,0|2,0,0]=3 55 B14R2.9066 Cc1cccc(c1c2cnsc2)C 31659847c54383626bc8e6cd465081ad [0,0,1,0,0,0|3,0,0]=4 56 B14R2.9066 Cc1cccc(c1c2cnsc2)Cl 90bbfa569ad3ad94f97ebe1856d970a6 [0,0,1,0,0,0|3,0,0]=4 57 B14R2.9066 Cc1cccc(c1c2cnsc2)F b3082c64bd4664652c829c22267854e9 [0,0,1,0,0,0|3,0,0]=4 58 B14R2.9066 Cc1cccc(c1c2cnsc2)N f363447c016e137813677edbd8be74ca [0,0,1,0,0,0|3,0,0]=4 59 B14R2.9066 Cc1cccc(c1c2cnsc2)O 457cb1154ccb9680f7b145cbbee4a4ed [0,0,1,0,0,0|2,1,0]=4 60 B14R2.9066 Cc1cccc(c1c2cnsc2)S 41728d21fb5b8d01bd72fae5ae269f15 [0,0,1,0,0,0|2,0,0]=3 61 B14R2.9066 Cc1cccc(c1n2ccnn2)F b000a816f8370dab61295ac9a0433c9f [0,0,1,0,0,0|3,0,0]=4 62 B14R2.9066 Fc1cccc(c1c2cn[nH]c2)S bbcbd3cf6b9e37be2bd125a711eecda5 [0,0,1,0,0,0|2,0,1]=4 63 B14R2.9066 Fc1cccc(c1c2cnoc2)S 8676596185d0b532c9d9e2796daa5543 [0,0,1,0,0,0|3,0,0]=4 64 B14R2.9066 Fc1cccc(c1c2cnsc2)S ebf23d23b856e11b5ec768617c9d19ac [0,0,1,0,0,0|3,0,0]=4 65 B14R2.9066 Nc1cccc(c1c2cn[nH]c2)S b9e9eba90f37a5dda755d7c3739866b2 [0,0,1,0,0,0|2,0,1]=4 66 B14R2.9904 C=CCN(C)c1csc2n1ccn2 50d5928a3bdc0bff555f93e90216027b [0,0,1,0,0,0|2,0,1]=4 67 B13R2.15 Cc1nccn1c2ccccc2 0759cd8bc2c94e9720cf035e488c1c9c [1,0,1,0,0,0|2,0,0]=4 68 B13R2.15 Sc1nccn1c2cccnc2 2a3b08e631f397acf2ca9fbc129fe016 [1,0,1,0,0,0|2,0,0]=4 69 B13R2.18 Cc1ccccc1c2cn[nH]c2 a6ef2b05fc60287146219c51cceefcea [1,0,1,0,0,0|1,0,1]=4 70 B13R2.18 Cc1ccccc1c2cnns2 d503c3b88268a653c14f94070a6a2046 [1,0,1,0,0,0|2,0,0]=4 71 B13R2.18 Cc1ccccc1c2cnoc2 052eebfcecdbd496826cc048d2dbefc0 [1,0,1,0,0,0|2,0,0]=4 72 B13R2.18 Cc1ccccc1c2cnsc2 3e6c87a00a013113da46569d2653ac5f [1,0,1,0,0,0|2,0,0]=4 73 B13R2.18 Sc1ccccc1c2cn[nH]c2 2fa2ce4c89a561e8c060433b2adc78df [1,0,1,0,0,0|1,0,1]=4 74 B13R2.18 Sc1ccccc1c2cnoc2 d8436b5521d138d591ec26ee5b8553c7 [1,0,1,0,0,0|2,0,0]=4 75 B13R2.18 Sc1ccccc1c2cnsc2 5040033cc11fd732044c49b589aa46fc [1,0,1,0,0,0|2,0,0]=4 76 B13R2.18 Sc1ccccc1n2ccnn2 021d2da258451b588fbb6974ebccdb31 [1,0,1,0,0,0|2,0,0]=4 77 B13R2.64 c1ccc(cc1)Nc2nncs2 1a0878a907188dd0c2c165f4100877cb [1,0,1,0,0,0|2,0,0]=4 78 B15R2.2146 C/C=C/C(=O)Nc1nn2cnnc2s1 37a899bc13b54686b26943b563dc82c7 [0,1,1,0,0,0|2,0,0]=4 79 B15R2.337 Cc1c(ccnc1F)n2ccnc2S 67181aaf572fe27675398228632405b4 [0,1,1,0,0,0|2,0,0]=4 80 B15R2.337 Cc1c(ccnc1n2ccnc2S)F a9d6b79c6971dbea8432cdcc934be3d5 [0,1,1,0,0,0|2,0,0]=4 81 B15R2.337 Cc1c(cncc1n2ccnc2S)F 0e9ee7fb3a6909d45eef679ab7869d37 [0,1,1,0,0,0|2,0,0]=4 82 B15R2.337 Cn1c(cccc1=O)n2ccnc2S dd369c2283fd85f332a4fda52fc5f14d [0,1,1,0,0,0|2,0,0]=4 83 B15R2.337 Oc1c(cccc1n2ccnc2S)F aa6aa84524c5120c8b87fe4c4784566d [0,1,1,0,0,0|2,0,0]=4 84 B15R2.390 Cc1ccc(c(c1)n2ccnc2C)C 91b3bf2231a217b80010ba7c86b6d5c0 [0,1,1,0,0,0|2,0,0]=4 85 B15R2.390 Cc1ccc(c(c1)n2ccnc2S)C 9a6974eb55a91e47010ae5c8a4bffbba [0,1,1,0,0,0|1,0,0]=3 86 B15R2.390 Cc1ccc(c(c1)n2ccnc2S)F 6a8ec7d6c4498272293163371175c6bb [0,1,1,0,0,0|2,0,0]=4 87 B15R2.390 Cc1ccc(c(n1)n2ccnc2S)C 383721dce45335b070a91a8745c0a105 [0,1,1,0,0,0|2,0,0]=4 88 B15R2.2302 CCc1ccccc1n2ccnc2C 9c7b7a53ea8d15986b585dd09767e77c [0,1,1,0,0,0|2,0,0]=4 89 B15R2.2302 CCc1ccccc1n2ccnc2S f8b97daa2a3a7c3e560bcf36436bfd46 [0,1,1,0,0,0|1,0,0]=3 90 B15R2.2302 CCc1cccnc1n2ccnc2S 6fd8e188a60972546816619af86c3cda [0,1,1,0,0,0|2,0,0]=4 91 B15R2.2302 CSc1ccccc1n2ccnc2S 8982e6c9304be1d5856b184741fd10d4 [0,1,1,0,0,0|1,0,0]=3 92 B15R2.2302 CSc1ncccc1n2ccnc2S b2b6542f9978ff34b1e937d4196d053e [0,1,1,0,0,0|2,0,0]=4 93 B15R2.2302 O=Cc1ccccc1n2ccnc2S 3080d39374b56b327783ce6b4121925f [0,1,1,0,0,0|1,0,1]=4 94 B15R2.2302 OCc1ccccc1n2ccnc2S 07c5f7e5f2bb01f365baa10272e28477 [0,1,1,0,0,0|1,0,0]=3 95 B15R2.2348 CSc1nncn1c2cccc[n+]2[O-] cd848de42b6934a1b91c74a6242bdd44 [0,1,1,0,0,0|2,0,0]=4 96 B15R2.7536 Nc1ccc(c(c1)N)n2ccnc2S 9120478a75863c94ceb29c0cab5848a0 [0,1,1,0,0,0|2,0,0]=4 97 B15R2.7647 Cc1ccc[n+](c1n2ccnc2S)[O-] 633e93ab67b21a748d461c7365501d5b [0,1,1,0,0,0|2,0,0]=4 98 B15R2.335 Cc1cc(ccn1)Nc2nncn2C 20f2dbc7dfc01aefbe92bc9293c6a679 [0,1,1,0,0,0|2,0,0]=4 99 B15R2.335 Cc1cccc(c1)Nc2cncn2C b1c6f9da2b306740d02c88a536616018 [0,1,1,0,0,0|2,0,0]=4 100 B15R2.335 Cc1cccc(c1)Nc2nccn2C 70cbf2c07060f498c397a59072ed40a0 [0,1,1,0,0,0|2,0,0]=4 101 B15R2.335 Cc1cccc(c1)Nc2nncn2C cc11d54058dbfdb7a8f3232e2d119a50 [0,1,1,0,0,0|1,0,0]=3 102 B15R2.335 Cc1cccc(c1)Nc2nnnn2C 5bd00892702c49ee1c510f6144caf7b4 [0,1,1,0,0,0|2,0,0]=4 103 B15R2.335 Cc1cccc(n1)Nc2nncn2C 140eb01d8e3302f91b838b22a8c92769 [0,1,1,0,0,0|2,0,0]=4 104 B15R2.335 Cc1ccnc(c1)Nc2nncn2C 66cab76d39d8b7b2a3a1236843298492 [0,1,1,0,0,0|2,0,0]=4 105 B15R2.335 Cc1cncc(c1)Nc2nncn2C 8c59529828a8eb3677fd4ca126c54f40 [0,1,1,0,0,0|2,0,0]=4 106 B15R2.335 Cn1cnnc1Nc2cccc(c2)F 7ed5517ed1378fcd88d404d8f3a9542e [0,1,1,0,0,0|2,0,0]=4 107 B15R2.335 Cn1cnnc1Nc2cccc(c2)O 5e1727b92a61fa7f94f8f6ffedb609d5 [0,1,1,0,0,0|2,0,0]=4 108 B15R2.335 Cn1cnnc1Nc2cccc(c2)S 1756f93cf7957fa342bacf9743d07b1b [0,1,1,0,0,0|2,0,0]=4 109 B15R2.1108 CN(c1cccc(c1)F)c2nnc[nH]2 688288f4a27329ff6ad1314b5190c351 [0,1,1,0,0,0|2,0,0]=4 110 B15R2.1108 Cc1cccc(c1)N(C)c2nnco2 775d2da00516908b6a908adb55d2aa07 [0,1,1,0,0,0|2,0,0]=4 111 B15R2.1109 Cc1cccc(c1F)Nc2nnco2 844ca9c6043c717dd41a025ca5b67528 [0,1,1,0,0,0|2,0,0]=4 112 B15R2.1115 Cc1cccc(c1)Nc2n[nH]c(=O)[nH]2 e2ee2a02216b927e2f23fc3b5add39bf [0,1,1,0,0,0|1,0,1]=4 113 B15R2.1115 Cc1cccc(c1)Nc2nnc(o2)C 43014fbe0702057ff7f7633802a9a9ee [0,1,1,0,0,0|2,0,0]=4 114 B15R2.2053 CCc1cccc(c1)Nc2nnco2 26db8b9df3466fcb075e9381594b9dbe [0,1,1,0,0,0|2,0,0]=4 115 B15R2.2053 CCc1cccc(c1)Nc2nncs2 5faa6ee48735ef79cd34bbd48903e7e8 [0,1,1,0,0,0|2,0,0]=4 116 B15R2.2053 COc1cccc(c1)Nc2ncc[nH]2 a1220b62bf81333da9f4edd1fea12a63 [0,1,1,0,0,0|2,0,0]=4 117 B15R2.2053 COc1cccc(c1)Nc2nnco2 ff87a153c246cc68972a2decca315e14 [0,1,1,0,0,0|2,0,0]=4 118 B15R2.2053 COc1cccc(c1)Nc2nncs2 800c52b29767dd30b53ac3b39361a422 [0,1,1,0,0,0|2,0,0]=4 119 B15R2.2053 CSc1cccc(c1)Nc2nnco2 3bd6e92fbe8580b94b574e0fbebfe7bb [0,1,1,0,0,0|2,0,0]=4 120 B15R2.2053 CSc1cccc(c1)Nc2nncs2 93df61242f6f39af387991f5e82ed7f0 [0,1,1,0,0,0|2,0,0]=4 121 B15R2.2053 FCc1cccc(c1)Nc2nnco2 679154d2a065bc1fa22b0211a1356dcf [0,1,1,0,0,0|2,0,0]=4 122 B15R2.2053 FCc1cccc(c1)Nc2nncs2 8127f10d9052f14ca65b12fbfa8db32e [0,1,1,0,0,0|2,0,0]=4 123 B15R2.2053 OCc1cccc(c1)Nc2nnco2 c706193e8b384da4801bb39dcc80fdea [0,1,1,0,0,0|2,0,0]=4 124 B15R2.2053 OCc1cccc(c1)Nc2nncs2 8efe3a1c3d6ee96710ae204e92d70808 [0,1,1,0,0,0|2,0,0]=4 125 B15R2.2053 SCc1cccc(c1)Nc2nnco2 89ac4643ec68523ba03a5977bad06ebf [0,1,1,0,0,0|2,0,0]=4 126 B15R2.2053 SCc1cccc(c1)Nc2nncs2 424eda71de861157af3a059f9cad9a89 [0,1,1,0,0,0|2,0,0]=4 127 B15R2.6880 Cc1cc(cc(c1)Nc2ncc[nH]2)C 8cef4beb6c63082a951ef17e6a0190a5 [0,1,1,0,0,0|2,0,0]=4 128 B15R2.6880 Cc1cc(cc(c1)Nc2ncc[nH]2)F 570eae6d30ae847ac8eb781708949795 [0,1,1,0,0,0|2,0,0]=4 129 B15R2.6880 Cc1cc(cc(c1)Nc2ncc[nH]2)O ef90ec333523ca2905e81cbb525b8ca7 [0,1,1,0,0,0|2,0,0]=4 130 B15R2.6880 Cc1cc(cc(c1)Nc2nnco2)C ae8432090189d355ed3e7f77920d4bb3 [0,1,1,0,0,0|2,0,0]=4 131 B15R2.6880 Cc1cc(cc(c1)Nc2nnco2)F 111d5d32293b63a643e82c2762e12345 [0,1,1,0,0,0|2,0,0]=4 132 B15R2.6880 Cc1cc(cc(c1)Nc2nnco2)O 430a26d1adc985daa5b347326ac61b05 [0,1,1,0,0,0|2,0,0]=4 133 B15R2.6880 Cc1cc(cc(c1)Nc2nncs2)C 29e71d24e3ce994ab7519858466929be [0,1,1,0,0,0|2,0,0]=4 134 B15R2.6880 Cc1cc(cc(c1)Nc2nncs2)F 6708be5e23315949024b8a21e846e580 [0,1,1,0,0,0|2,0,0]=4 135 B15R2.6880 Cc1cc(cc(c1)Nc2nncs2)O a84ded0330fc979503eef36c9a2fc071 [0,1,1,0,0,0|2,0,0]=4 136 B15R2.7567 Cc1ccc(c(c1)Nc2nnco2)C 06c340935ba01ea6676828898fcc7885 [0,1,1,0,0,0|2,0,0]=4 137 B15R2.7567 Cc1ccc(c(c1)Nc2nnco2)F 550a1c7befda682396de7f3449a6f61d [0,1,1,0,0,0|2,0,0]=4 138 B15R2.2493 CSc1cccc(c1c2cn[nH]c2)C 63570dda6ebd6f57f9a0badef49149ec [0,1,1,0,0,0|1,0,1]=4 139 B15R2.2493 CSc1cccc(c1c2cnoc2)C b888934d3e48a744b9826bc380c1cbda [0,1,1,0,0,0|2,0,0]=4 140 B15R2.2493 CSc1cccc(c1c2cnsc2)C 684f61749ad480df6dd2a8a8e96cf12d [0,1,1,0,0,0|2,0,0]=4 141 B15R2.2493 CSc1cccc(c1n2ccnc2)F c8f8a5e4bdfd7d899ada6a4c02519cfc [0,1,1,0,0,0|2,0,0]=4 142 B15R2.2493 OCc1cccc(c1n2ccnc2)F 0db60affaa66d12c9a1fe264da265f36 [0,1,1,0,0,0|2,0,0]=4 143 B15R2.6956 Cc1cccc(c1c2cnn(c2)C)S f7677b0414929454e514326a6908f6a6 [0,1,1,0,0,0|1,0,1]=4 144 B15R3.4166 c1c[nH]c(c1)c2cn3ccnc3s2 c3af10277f6cb2821aadf476b85fdd19 [0,0,1,1,0,0|2,0,0]=4 145 B15R3.4166 c1c[nH]c(c1)c2cn3cncc3s2 66ac52b2ffd7f6f5104eed313c34e478 [0,0,1,1,0,0|2,0,0]=4 146 B15R3.4166 c1coc(c1)c2cn3ccnc3s2 17fcc231e762efa59519310cf7d71580 [0,0,1,1,0,0|2,0,0]=4 147 B15R3.4166 c1coc(c1)c2cn3cncc3s2 55f641abe3238429b2f9d5f4ce57e4d5 [0,0,1,1,0,0|2,0,0]=4 148 B15R3.4166 c1csc(c1)c2cn3ccnc3s2 90d01440a0950c556082e735cf3ec817 [0,0,1,1,0,0|2,0,0]=4 149 B15R3.4166 c1csc(c1)c2cn3cncc3s2 c54269d922a74d916dfbe61c43860cca [0,0,1,1,0,0|2,0,0]=4 150 B15R3.1712 c1c[nH]c(c1)c2csc3n2ccn3 63d50c92a83b2ef84d92add28068e087 [0,0,1,1,0,0|2,0,0]=4 151 B15R3.1712 c1c[nH]c(c1)c2csc3n2cnc3 44c61d9893dd69aae77fd846dee6ea25 [0,0,1,1,0,0|2,0,0]=4 152 B15R3.1712 c1coc(c1)c2csc3n2ccn3 5d8968a4f5ff1e9f34ac940e35617245 [0,0,1,1,0,0|2,0,0]=4 153 B15R3.1712 c1coc(c1)c2csc3n2cnc3 8e446db7c3c2045d8e528c0eeaec4245 [0,0,1,1,0,0|2,0,0]=4 154 B15R3.1712 c1csc(c1)c2csc3n2ccn3 ca32787f01bffb943186eebbaf9b0b40 [0,0,1,1,0,0|2,0,0]=4 155 B15R3.1712 c1csc(c1)c2csc3n2cnc3 1cf6635260efc1f58ca91c46f890c999 [0,0,1,1,0,0|2,0,0]=4 156 B13R2.181 Cc1ccsc1n2ccnc2S 0626ace197b814975f8b057df6a913a7 [0,0,1,0,1,0|2,0,0]=4 157 B13R2.181 Cc1sccc1n2ccnc2S 8be63d90e33a8309f49973c597603093 [0,0,1,0,1,0|2,0,0]=4 158 B13R2.13 Brc1cccc(c1)c2ncc[nH]2 75186e58bfc4d51ce45a8dd3fd8a2d2b [0,0,1,0,1,0|2,0,0]=4 159 B13R2.13 Brc1cccc(c1)c2nnco2 045f0b360f494cb6e2836d73b8c4e672 [0,0,1,0,1,0|2,0,0]=4 160 B13R2.13 Brc1cccc(c1)c2nncs2 78a09b9959498383b4d62d13a0645753 [0,0,1,0,1,0|2,0,0]=4 161 B13R2.13 Cc1cc(ccn1)c2ncc[nH]2 8aae84b33fb58d0681e9f3994003e5f2 [0,0,1,0,1,0|2,0,0]=4 162 B13R2.13 Cc1cc(ccn1)c2nnco2 ffe9b04a669a6bb4a25e6691c194af40 [0,0,1,0,1,0|2,0,0]=4 163 B13R2.13 Cc1cc(ccn1)c2nncs2 128903246c546949f25ed736f1cb7af5 [0,0,1,0,1,0|2,0,0]=4 164 B13R2.13 Cc1cccc(c1)c2c[nH]nn2 00ce7d0fd3217b3da18b1815f374a687 [0,0,1,0,1,0|2,0,0]=4 165 B13R2.13 Cc1cccc(c1)c2cc[nH]n2 1442e4de33a68a6f1baad26a1dca6aa4 [0,0,1,0,1,0|1,0,1]=4 166 B13R2.13 Cc1cccc(c1)c2ccc[nH]2 b233ea9642487b3a619a9967bb3dff04 [0,0,1,0,1,0|2,0,0]=4 167 B13R2.13 Cc1cccc(c1)c2ccno2 2c67bcb6f2fd4fb853f44e8b0f65615a [0,0,1,0,1,0|2,0,0]=4 168 B13R2.13 Cc1cccc(c1)c2ccns2 39313be92fdb6f7c530a72c846591805 [0,0,1,0,1,0|2,0,0]=4 169 B13R2.13 Cc1cccc(c1)c2ccon2 29ef04bd07c2c68d147b0fb3fbb8fc5f [0,0,1,0,1,0|2,0,0]=4 170 B13R2.13 Cc1cccc(c1)c2ccsn2 6688dd98a3bbcad2975128d8c89278ad [0,0,1,0,1,0|2,0,0]=4 171 B13R2.13 Cc1cccc(c1)c2cnco2 350b5b28f268568fcfc5b7b0e53dc147 [0,0,1,0,1,0|2,0,0]=4 172 B13R2.13 Cc1cccc(c1)c2cncs2 93e66fd034b16776a9c2c617416b9cd3 [0,0,1,0,1,0|2,0,0]=4 173 B13R2.13 Cc1cccc(c1)c2csnn2 9b901502f4a55ebf61514ba745765849 [0,0,1,0,1,0|2,0,0]=4 174 B13R2.13 Cc1cccc(c1)c2nc[nH]n2 3c89a2ec0216cb86c871a677c6c12dba [0,0,1,0,1,0|0,0,2]=4 175 B13R2.13 Cc1cccc(c1)c2ncc[nH]2 9ff96035978f002d6cb429d42efe4fe8 [0,0,1,0,1,0|1,0,0]=3 176 B13R2.13 Cc1cccc(c1)c2ncco2 7609eebb177500754899995925f8bfc6 [0,0,1,0,1,0|2,0,0]=4 177 B13R2.13 Cc1cccc(c1)c2nccs2 e1ff99fccfd2e92335a456293c3eab61 [0,0,1,0,1,0|2,0,0]=4 178 B13R2.13 Cc1cccc(c1)c2ncns2 283876d113391e3cdbfce2f16fba0df6 [0,0,1,0,1,0|1,0,1]=4 179 B13R2.13 Cc1cccc(c1)c2ncsn2 f48b8664ec2d83f341aa32d40a0f3265 [0,0,1,0,1,0|1,0,1]=4 180 B13R2.13 Cc1cccc(c1)c2nn[nH]n2 4ec73e05d9ce4da3b9bcf3f732dc804a [0,0,1,0,1,0|1,0,1]=4 181 B13R2.13 Cc1cccc(c1)c2nnco2 38f6c7927cb198c2e33b1922cdaf21fd [0,0,1,0,1,0|1,0,0]=3 182 B13R2.13 Cc1cccc(c1)c2nncs2 d763ab69079f70852681242b9f814e29 [0,0,1,0,1,0|1,0,0]=3 183 B13R2.13 Cc1cccc(c1)n2ccnn2 7b1ef1f88bc9243cc5099efb9bd84457 [0,0,1,0,1,0|2,0,0]=4 184 B13R2.13 Cc1cccc(n1)c2ncc[nH]2 0b71c83e4ae7eaa9cd884e1f73c53954 [0,0,1,0,1,0|2,0,0]=4 185 B13R2.13 Cc1cccc(n1)c2nnco2 080ea5927f6a7c73831db9533a1deb6b [0,0,1,0,1,0|2,0,0]=4 186 B13R2.13 Cc1cccc(n1)c2nncs2 8cfb7b35f1d3f764d9adeb2457167a20 [0,0,1,0,1,0|2,0,0]=4 187 B13R2.13 Cc1ccnc(c1)c2ncc[nH]2 bacc316518f585511651437398867972 [0,0,1,0,1,0|2,0,0]=4 188 B13R2.13 Cc1ccnc(c1)c2nnco2 34c4aad8c27e11a0d6dc85246489c00f [0,0,1,0,1,0|2,0,0]=4 189 B13R2.13 Cc1ccnc(c1)c2nncs2 32499e473ef425049f2e87acfd115747 [0,0,1,0,1,0|2,0,0]=4 190 B13R2.13 Cc1cncc(c1)c2ncc[nH]2 5d0ff94ec97794934ba97de47df41892 [0,0,1,0,1,0|2,0,0]=4 191 B13R2.13 Cc1cncc(c1)c2nnco2 112f2a082707a278c5a232771f036af7 [0,0,1,0,1,0|2,0,0]=4 192 B13R2.13 Cc1cncc(c1)c2nncs2 c120817ebbf61cac4b73c00326330c3c [0,0,1,0,1,0|2,0,0]=4 193 B13R2.13 Clc1cccc(c1)c2ncc[nH]2 40d6e366628a99adfc98ceb3a404dd41 [0,0,1,0,1,0|2,0,0]=4 194 B13R2.13 Clc1cccc(c1)c2nnco2 7a0b4a4fde4695f0a55ac29106ddb00b [0,0,1,0,1,0|2,0,0]=4 195 B13R2.13 Clc1cccc(c1)c2nncs2 5dc0424dca59f4113004be1e671f96c0 [0,0,1,0,1,0|2,0,0]=4 196 B13R2.13 Fc1cccc(c1)c2ncc[nH]2 1a6537aa1cb3ca92591cfdb98e5f35ab [0,0,1,0,1,0|2,0,0]=4 197 B13R2.13 Fc1cccc(c1)c2nnco2 e384008d0437c92c096861246dcb7590 [0,0,1,0,1,0|2,0,0]=4 198 B13R2.13 Fc1cccc(c1)c2nncs2 1fc578ee3df9589782c4cac460f0d30a [0,0,1,0,1,0|2,0,0]=4 199 B13R2.13 Ic1cccc(c1)c2ncc[nH]2 638522e6b9bd956204ddd64e3a93526a [0,0,1,0,1,0|2,0,0]=4 200 B13R2.13 Ic1cccc(c1)c2nnco2 955844fe33f6e002caca4869c2673377 [0,0,1,0,1,0|2,0,0]=4 201 B13R2.13 Ic1cccc(c1)c2nncs2 b302535d09e2b92fbe6c3748c60bdaf4 [0,0,1,0,1,0|2,0,0]=4 202 B13R2.13 Nc1cccc(c1)c2ncc[nH]2 06242f820a3050af0a4988e090a70771 [0,0,1,0,1,0|2,0,0]=4 203 B13R2.13 Nc1cccc(c1)c2nnco2 b68091ef0792d3e8c45c3d6af2b4070b [0,0,1,0,1,0|2,0,0]=4 204 B13R2.13 Oc1cccc(c1)c2ncc[nH]2 d741154262ddffb3526e2b02b6cbffbb [0,0,1,0,1,0|2,0,0]=4 205 B13R2.13 Oc1cccc(c1)c2nnco2 043f4bd72271a8dfe9a7f6f6dafed20e [0,0,1,0,1,0|2,0,0]=4 206 B13R2.13 Oc1cccc(c1)c2nncs2 0005ae00ec78ddf587e5b8568a15355c [0,0,1,0,1,0|2,0,0]=4 207 B13R2.13 Sc1cccc(c1)c2ncc[nH]2 0ad1859cb71ff6191e8ad5943d08bf9c [0,0,1,0,1,0|2,0,0]=4 208 B13R2.13 Sc1cccc(c1)c2nnco2 61787847bfb25cf8dded96e33b5f7e95 [0,0,1,0,1,0|2,0,0]=4 209 B13R2.13 Sc1cccc(c1)c2nncs2 683b2d0a62164dca9092e527b74d29bf [0,0,1,0,1,0|2,0,0]=4 210 B15R2.332 Cc1cc(cnn1)c2ccccc2C bfe6bf836edc241e8dee39e88f9eeed1 [0,0,1,0,0,1|2,0,0]=4 211 B15R2.332 Cc1ccccc1c2cnnc(c2)N 3d5ea09f0fb2cce4fa870a75c06dd459 [0,0,1,0,0,1|2,0,0]=4 212 B15R2.555 Cc1ccccc1c2ccnnc2O 3e0cf0092233186aab8b93d7b49283b4 [0,0,1,0,0,1|1,1,0]=4 213 B15R2.555 Cc1ccccc1c2cncnc2C 49f97f90f615249cf4f3083960cc613a [0,0,1,0,0,1|2,0,0]=4 214 B15R2.555 Cc1ccccc1c2cnncc2C c804e9bc7eedad283f88bd4413b7a313 [0,0,1,0,0,1|2,0,0]=4 215 B15R2.555 Cc1ccccc1c2cnncc2N 55032e3287c1e5b06f26271a8891c5ef [0,0,1,0,0,1|2,0,0]=4 216 B15R2.555 Cc1ccccc1c2cnncc2O b50f411d8a361d824d6d8faea487fea7 [0,0,1,0,0,1|1,1,0]=4 217 B15R2.31 Cc1cccc(c1)Nc2cccnn2 82f6f48ec77b1fe08bb95be185ac8f6a [0,0,1,0,0,1|2,0,0]=4 218 B15R2.31 Cc1cccc(c1)Nc2ccncn2 ddf94831e4e38749922c684b940fa75e [0,0,1,0,0,1|2,0,0]=4 219 B15R2.31 Cc1cccc(c1)Nc2ccnnc2 f03c18b17e8ccb8449b4e1b51f0b60a5 [0,0,1,0,0,1|2,0,0]=4 220 B15R2.31 Cc1cccc(c1)Nc2nccnn2 73b063f608e34bb3c7180187056f9c94 [0,0,1,0,0,1|1,0,1]=4 221 B15R2.31 Cc1cccc(c1)Nc2ncncn2 e6ceb26b6e2996e7b5c8b0dfe5dddb7b [0,0,1,0,0,1|1,0,1]=4 222 B15R2.1117 Cc1cccc(c1)CNc2ncc[nH]2 d4f944b5499684cb6aea5ddcb943e27e [0,0,1,0,0,1|2,0,0]=4 223 B15R2.1117 Cc1cccc(c1)CNc2nnco2 4589c47fa334008b09a1ba37efae8e4f [0,0,1,0,0,1|2,0,0]=4 224 B15R2.1117 Cc1cccc(c1)CNc2nncs2 1eec231eac547fbf1e2f77a6d7293a79 [0,0,1,0,0,1|2,0,0]=4 225 B15R2.1117 Cc1cccc(c1)COc2nncs2 aacc952b512b47e6a16a89f6b522a914 [0,0,1,0,0,1|1,1,0]=4 226 B15R2.1117 Cc1cccc(c1)NCc2cnc[nH]2 d8a629a00354e0b971eb66061794edbf [0,0,1,0,0,1|2,0,0]=4 227 B15R2.1117 Cc1cccc(c1)NCc2ncc[nH]2 f51c474943033342f7017a94e8fe3ccf [0,0,1,0,0,1|2,0,0]=4 228 B15R2.1117 Cc1cccc(c1)NCc2nnco2 e7b63d1427b01cf8e0cf871e7f08f34c [0,0,1,0,0,1|2,0,0]=4 229 B15R2.1117 Cc1cccc(c1)NCc2nnn[nH]2 f3cfef406c803a0d8645adc452418884 [0,0,1,0,0,1|2,0,0]=4 230 B15R2.1117 Cc1cccc(c1)OCc2cnc[nH]2 87b2875bfa7a6961ff0fa4590a930692 [0,0,1,0,0,1|1,1,0]=4 231 B15R2.1117 Cc1cccc(c1)OCc2ncc[nH]2 4706c3ef5c83a54a5646415a58fc72f8 [0,0,1,0,0,1|1,1,0]=4 232 B15R2.1117 Cc1cccc(c1)OCc2nnco2 0e2299769f339e51d987b42959e4d1dd [0,0,1,0,0,1|1,1,0]=4 233 B15R2.1117 Cc1cccc(c1)OCc2nnn[nH]2 d6a09364f56db96c623f08cd6dc990ac [0,0,1,0,0,1|1,1,0]=4 234 B15R2.541 Cc1cccc(c1c2cccnc2)S b0e5655a95bdba39ab65cab043552d04 [0,0,1,0,0,1|2,0,0]=4 235 B15R2.541 Cc1cccc(c1c2ccncc2)S 72fb726b7a77cbc702a3f0da87f6631d [0,0,1,0,0,1|2,0,0]=4 236 B15R2.541 Cc1cccc(c1c2ccncn2)S 4c972ab96028fe468ba29feeec129669 [0,0,1,0,0,1|2,0,0]=4 237 B15R2.541 Cc1cccc(c1c2ccnnc2)C d0ced40bd49b54f3d8d87288abb4ac1c [0,0,1,0,0,1|2,0,0]=4 238 B15R2.541 Cc1cccc(c1c2ccnnc2)Cl 647a99db5c6003b92bce75affd9dcd86 [0,0,1,0,0,1|2,0,0]=4 239 B15R2.541 Cc1cccc(c1c2ccnnc2)F 85de107e9e2b1738426c11c313293133 [0,0,1,0,0,1|2,0,0]=4 240 B15R2.541 Cc1cccc(c1c2ccnnc2)N a9f7e45ef4792076afe2bfafe4b5e197 [0,0,1,0,0,1|2,0,0]=4 241 B15R2.541 Cc1cccc(c1c2ccnnc2)O 2cebae9b8151988ae808269139467115 [0,0,1,0,0,1|1,1,0]=4 242 B15R2.541 Cc1cccc(c1c2ccnnc2)S 2673321941bea331f6e5cee4b6611270 [0,0,1,0,0,1|1,0,0]=3 243 B15R2.541 Cc1cccc(c1c2cnccn2)S b7b65ce3835da7690e0e6a550f8c5381 [0,0,1,0,0,1|2,0,0]=4 244 B15R2.541 Cc1cccc(c1c2cncnc2)C 0c0dd07c8a42a6e864311c21e21a38c6 [0,0,1,0,0,1|2,0,0]=4 245 B15R2.541 Cc1cccc(c1c2cncnc2)Cl 03a1c9bf6039e358148f1d010ad5d9d6 [0,0,1,0,0,1|2,0,0]=4 246 B15R2.541 Cc1cccc(c1c2cncnc2)F b8240ae3b4a86f18a151bd2086964e87 [0,0,1,0,0,1|2,0,0]=4 247 B15R2.541 Cc1cccc(c1c2cncnc2)N 9d3098c1c41a79f302d42eb4f92858fd [0,0,1,0,0,1|2,0,0]=4 248 B15R2.541 Cc1cccc(c1c2cncnc2)O 9b22a44212a27c4da316608e0238054f [0,0,1,0,0,1|1,1,0]=4 249 B15R2.541 Cc1cccc(c1c2cncnc2)S 195e9472a65effec9924ed6467cd3a34 [0,0,1,0,0,1|1,0,0]=3 250 B15R2.541 Cc1cccc(c1c2cnnnc2)C 78e42be7552bd1e4727415ec33f9cfe5 [0,0,1,0,0,1|2,0,0]=4 251 B15R2.541 Cc1cccc(c1c2cnnnc2)Cl 889a50c625265e630abeec6ac0d51f83 [0,0,1,0,0,1|2,0,0]=4 252 B15R2.541 Cc1cccc(c1c2cnnnc2)F afa7f5fb3f352edad66c44cad2352414 [0,0,1,0,0,1|2,0,0]=4 253 B15R2.541 Cc1cccc(c1c2cnnnc2)O 8da4e9073fe0fcc12806e503daf88a4c [0,0,1,0,0,1|1,1,0]=4 254 B15R2.541 Fc1cccc(c1c2ccnnc2)S 5c5733ab5dfb6fc87195ff0382087ef1 [0,0,1,0,0,1|2,0,0]=4 255 B15R2.541 Fc1cccc(c1c2cncnc2)S 447d0255c2f9d5f3c57f3e78655678b8 [0,0,1,0,0,1|2,0,0]=4 256 B15R2.541 Nc1cccc(c1c2ccnnc2)S ece64f56add9745af82e02e64702f934 [0,0,1,0,0,1|2,0,0]=4 257 B15R2.15371 Cc1cccc(c1Nc2cnoc2)S 782bf90fc57d8b2c6f5c6c2f772f39fe [0,0,1,0,0,1|2,0,0]=4