0 B12R1.283 NC(=O)c1ccccc1NC=O 0b75641490b24ddec9794b556ca45baa [0,0,1,0,0,0|2,0,1]=4 1 B12R1.283 NC(=S)c1ccccc1NC=O 862bd4d24af0f8a804cbd159f0a0f017 [0,0,1,0,0,0|2,0,1]=4 2 B13R1.369 C=CCCNc1cnc(nc1N)N b17c8e381366b6c255b0a702eca69e3e [0,1,1,0,0,0|0,0,2]=4 3 B13R1.369 CC=CCNc1cnc(nc1N)N 874ba7f853e929d0b901810bad7577ae [0,1,1,0,0,0|0,0,2]=4 4 B13R1.2679 C=CC(C)Nc1cnc(nc1N)N 5cf35771b3a6938d8967f8df6ab52ff6 [0,1,1,0,0,0|1,0,1]=4 5 B13R1.55 C=CCCNc1cc(nc(n1)N)N 03b37ce7626559569533ed34406e6d28 [0,1,1,0,0,0|0,0,2]=4 6 B13R1.55 CC=CCNc1cc(nc(n1)N)N 1442e7495467a4184255dd0ba5f4f5c4 [0,1,1,0,0,0|0,0,2]=4 7 B13R1.450 C=CCN(C)c1cc(nc(n1)N)N ad4707d815472a54c892e4239f0aad21 [0,1,1,0,0,0|1,0,1]=4 8 B13R1.2874 C=CC(C)Nc1cc(nc(n1)N)N c164e3c1920ba6b693226efd11fafb62 [0,1,1,0,0,0|1,0,1]=4 9 B13R1.3420 C=C(Br)CNc1cc(nc(n1)N)N db4eb850222eb3cdb9c95d368d125197 [0,1,1,0,0,0|1,0,1]=4 10 B13R1.3420 C=C(C)CNc1cc(nc(n1)N)N 50464283418f156c111e9b90258b0ca3 [0,1,1,0,0,0|1,0,1]=4 11 B15R2.886 CCNc1cc(c2ccccc2n1)Br c4b3541605dd5780d25ba425b6324e60 [0,2,0,0,0,0|2,0,0]=4 12 B15R2.886 CCNc1cc(c2ccccc2n1)C f677f5ea64a3eadf04f22909685a6b96 [0,2,0,0,0,0|2,0,0]=4 13 B15R2.886 CCNc1cc2ccccc2c(n1)Br 3447d2c8c734a5aaa13b47c52285c970 [0,2,0,0,0,0|2,0,0]=4 14 B15R2.886 CCNc1cc2ccccc2c(n1)C 9bf017bdf15f7fea8538c21f01b22a6e [0,2,0,0,0,0|2,0,0]=4 15 B15R2.886 CCNc1cc2ccccc2c(n1)Cl 36e57e187c46443e163cc40420b37aab [0,2,0,0,0,0|2,0,0]=4 16 B15R2.886 CCNc1nc(c2ccccc2n1)Cl 71b73b11ac5450cd7ee6054b80bae79c [0,2,0,0,0,0|1,0,0]=3 17 B15R2.886 CCNc1nc2ccccc2[n+](n1)[O-] 5379561c7ae3eff9cbcf8992500612eb [0,2,0,0,0,0|2,0,0]=4 18 B15R2.886 CCNc1nc2ccccc2c(=O)[nH]1 c560a40422071ccac256066211010c5f [0,2,0,0,0,0|1,0,1]=4 19 B15R2.886 Cc1cc(nc2c1cccc2)NCF 0635e0c33c025c988d0c7c17369c5e37 [0,2,0,0,0,0|2,0,0]=4 20 B15R2.886 Cc1cc(nc2c1cccc2)NCO fc5efc808e4f44042d987d9d95211506 [0,2,0,0,0,0|2,0,0]=4 21 B15R2.886 Cc1nc(cc2c1cccc2)NC#N 9bf1b8eab1d5e9661bd6646106b931cc [0,2,0,0,0,0|2,0,0]=4 22 B15R2.886 Cc1nc(cc2c1cccc2)NC=O f45f5f53526a2c8fd8d596d4944341b8 [0,2,0,0,0,0|2,0,0]=4 23 B15R2.886 Cc1nc(cc2c1cccc2)NCF a8581d5b172b7e0dd98e3b75e86257bd [0,2,0,0,0,0|2,0,0]=4 24 B15R2.886 Cc1nc(cc2c1cccc2)NCO 76c4f152b27a295d0f71d27fac721453 [0,2,0,0,0,0|2,0,0]=4 25 B15R2.886 FCNc1cc(c2ccccc2n1)Br 055925c5a0bb9eee2c05993370cd50df [0,2,0,0,0,0|2,0,0]=4 26 B15R2.886 FCNc1cc2ccccc2c(n1)Br 1cf57ab9209e1cf1e315d5a26b325bde [0,2,0,0,0,0|2,0,0]=4 27 B15R2.886 FCNc1cc2ccccc2c(n1)Cl 0c58ee993c8b137266d6ade3bb4bfa33 [0,2,0,0,0,0|2,0,0]=4 28 B15R2.886 FCNc1nc(c2ccccc2n1)Cl 4b616e1b9a67018c85e75c2db2a22769 [0,2,0,0,0,0|1,0,0]=3 29 B15R2.886 O=CNc1cc2ccccc2c(n1)Br b03efe261b0571747068b503f90ea964 [0,2,0,0,0,0|2,0,0]=4 30 B15R2.886 O=CNc1cc2ccccc2c(n1)Cl 3925f0c9dd504e205ed8af8193aee7a8 [0,2,0,0,0,0|2,0,0]=4 31 B15R2.886 O=c1[nH]c(nc2c1cccc2)NCF e2e7ff7734a505b3198dd5c8459ea7cc [0,2,0,0,0,0|1,0,1]=4 32 B15R2.886 O=c1[nH]c(nc2c1cccc2)NCO 9dfda9e401b35f64f71fefa98955d7c6 [0,2,0,0,0,0|1,0,1]=4 33 B15R2.886 OCNc1cc(c2ccccc2n1)Br 1592c44575c6bc5692c1bf66231887c6 [0,2,0,0,0,0|2,0,0]=4 34 B15R2.886 OCNc1cc2ccccc2c(n1)Br c072f25c0dc65aca0132782198b4ef00 [0,2,0,0,0,0|2,0,0]=4 35 B15R2.886 OCNc1cc2ccccc2c(n1)Cl af42457c60af2f73ab97e1bd9d925491 [0,2,0,0,0,0|2,0,0]=4 36 B15R2.886 [O-][n+]1nc(nc2c1cccc2)NCF 00fadf62e61a742bdb57d74c00729b4e [0,2,0,0,0,0|2,0,0]=4 37 B15R2.886 [O-][n+]1nc(nc2c1cccc2)NCO 123b40141eb56128c5e2b35b63dcfb56 [0,2,0,0,0,0|2,0,0]=4 38 B15R2.4392 CCNc1cc(nc2c1cccc2)C 04173d8beda198805ee790123d168abf [0,2,0,0,0,0|2,0,0]=4 39 B15R2.4392 CCNc1cc(nc2c1cccc2)Cl 59864b11ddff1076743cea3f567663b1 [0,2,0,0,0,0|2,0,0]=4 40 B15R2.4392 CCNc1nc(cc2c1cccc2)Br e15ae18bb1a0793614eeabf664865e07 [0,2,0,0,0,0|2,0,0]=4 41 B15R2.4392 CCNc1nc(cc2c1cccc2)Cl f9cd146dcdce0083c8cfde9b04b83edf [0,2,0,0,0,0|2,0,0]=4 42 B15R2.4392 CCNc1nc(nc2c1cccc2)C e74b3a3f6703273b5aadeed264b35d7d [0,2,0,0,0,0|1,0,0]=3 43 B15R2.4392 CCNc1nc(nc2c1cccc2)Cl 4cd6d16bf22952dfe3d3f2ab9559a082 [0,2,0,0,0,0|1,0,0]=3 44 B15R2.4392 Cc1cc(c2ccccc2n1)NCF 18d61bb8f8c49dc1d77c41b6e7f5fead [0,2,0,0,0,0|2,0,0]=4 45 B15R2.4392 Cc1nc(c2ccccc2n1)NCF 0985c2043de71e38fd00dbbb02aa096e [0,2,0,0,0,0|1,0,0]=3 46 B15R2.4392 Cc1nc(c2ccccc2n1)NCO 9cc9263d0ca882a24bdc5dedde54f091 [0,2,0,0,0,0|1,0,0]=3 47 B15R2.4392 FCNc1cc(nc2c1cccc2)Cl b0b25730fb24c63e6a7c38ce2a66d48d [0,2,0,0,0,0|2,0,0]=4 48 B15R2.4392 FCNc1nc(cc2c1cccc2)Br d380cb00f575d7cf5416b40cbe2e363a [0,2,0,0,0,0|2,0,0]=4 49 B15R2.4392 FCNc1nc(cc2c1cccc2)Cl 43f5724b149b371b02d3b74a23cab586 [0,2,0,0,0,0|2,0,0]=4 50 B15R2.4392 FCNc1nc(cc2c1cccc2)S 238f171b9a112295c76912733a7100d0 [0,2,0,0,0,0|2,0,0]=4 51 B15R2.4392 FCNc1nc(nc2c1cccc2)Cl 4f35ce1e76e3f82d851340774c775903 [0,2,0,0,0,0|1,0,0]=3 52 B15R2.4392 O=CNc1cc(nc2c1cccc2)Cl c4baef52a77ef2a0120b2a1678e3b621 [0,2,0,0,0,0|2,0,0]=4 53 B15R2.4392 O=CNc1nc(cc2c1cccc2)Br e3cb4b76cb12d1cd9addbc4f5cc4a3c9 [0,2,0,0,0,0|2,0,0]=4 54 B15R2.4392 O=CNc1nc(cc2c1cccc2)Cl 9510ccb237363d3c40e611f35dcc1878 [0,2,0,0,0,0|2,0,0]=4 55 B15R2.4392 O=CNc1nc(cc2c1cccc2)S 92d0ecbd0778f4d3fc1bc48ceed20f54 [0,2,0,0,0,0|2,0,0]=4 56 B15R2.4392 O=CNc1nc(nc2c1cccc2)Cl 446346fa7a392d71dcce248707ce273f [0,2,0,0,0,0|1,0,0]=3 57 B15R2.4392 OCNc1cc(nc2c1cccc2)Cl d9529991eb7da155c2396c59c7717549 [0,2,0,0,0,0|2,0,0]=4 58 B15R2.4392 OCNc1nc(cc2c1cccc2)Br a4e97ae3376c97067c4bb04adedb170a [0,2,0,0,0,0|2,0,0]=4 59 B15R2.4392 OCNc1nc(cc2c1cccc2)Cl 94f59f8e05224ec51d397a8389264529 [0,2,0,0,0,0|2,0,0]=4 60 B15R2.4392 OCNc1nc(cc2c1cccc2)S 76ad002882974d25915a23509080da98 [0,2,0,0,0,0|2,0,0]=4 61 B15R2.4392 OCNc1nc(nc2c1cccc2)Cl 1484871f6448e955767e2af827218955 [0,2,0,0,0,0|1,0,0]=3 62 B13R2.15 Fc1nc[nH]c1c2ccccc2 0603f7086a7b9b372c700478dcbb2f8a [0,0,1,1,0,0|2,0,0]=4 63 B13R2.15 Nc1ncsc1c2ccccc2 70de126c976e71bb3594a0d0bc99b5fb [0,0,1,1,0,0|2,0,0]=4 64 B13R2.64 c1ccc(cc1)Nc2c[nH]cn2 4c034aece572f8f71fa0746e64a8d8a1 [0,0,1,1,0,0|1,0,1]=4 65 B13R2.10 Cc1c[nH]c(n1)c2ccccc2 059516ef67247868640aa09654bdba8b [0,0,1,1,0,0|2,0,0]=4 66 B13R2.10 Cc1nc(c[nH]1)c2ccccc2 b64d8ffb67dae24db2d4f626d9f225e7 [0,0,1,1,0,0|2,0,0]=4 67 B13R2.10 Cc1nc(n[nH]1)c2ccccc2 9840e3acf9976f21a23626e31f2080ca [0,0,1,1,0,0|1,0,1]=4 68 B13R2.10 Cc1noc(n1)c2ccccc2 02b7093a9dc3219517391e3c24642e52 [0,0,1,1,0,0|2,0,0]=4 69 B13R2.10 Cc1nsc(n1)c2ccccc2 3f38b7c577240eadb7b7d4cac24b8828 [0,0,1,1,0,0|2,0,0]=4 70 B13R2.10 Nc1cc([nH]n1)c2ccccc2 1858e2485151f9f16a23d5b08bf5c6e5 [0,0,1,1,0,0|1,0,0]=3 71 B13R2.10 Nc1cc([nH]n1)c2ccccn2 dced85d69da3fb6cfafaef815db8deb7 [0,0,1,1,0,0|2,0,0]=4 72 B13R2.10 Nc1cc([nH]n1)c2cccnc2 c87c1844c52fb80291b0d0c11fba7f94 [0,0,1,1,0,0|2,0,0]=4 73 B13R2.10 Nc1cc([nH]n1)c2ccncc2 a3fd11f283592ee75d7674b0e56c27b7 [0,0,1,1,0,0|2,0,0]=4 74 B13R2.10 Nc1cc(sn1)c2ccccc2 57e8e6a6a581b71960da127e356d9c36 [0,0,1,1,0,0|2,0,0]=4 75 B13R2.10 Nc1csc(n1)c2ccccc2 f05a643c08c8a982277f1feb16cd2ca5 [0,0,1,1,0,0|2,0,0]=4 76 B13R2.10 Nc1n[nH]c(n1)c2ccccc2 711f086a8ef5ebb5382fb87d677a18be [0,0,1,1,0,0|0,0,0]=2 77 B13R2.10 Nc1n[nH]c(n1)c2ccccn2 e5fbaa9b68448958532a0c4c80ee5aec [0,0,1,1,0,0|1,0,0]=3 78 B13R2.10 Nc1n[nH]c(n1)c2cccnc2 86e47cf75124311d5f58ec54e0ca985e [0,0,1,1,0,0|1,0,0]=3 79 B13R2.10 Nc1n[nH]c(n1)c2cccnn2 4ad436edb1d4a88419f34de45c36c394 [0,0,1,1,0,0|2,0,0]=4 80 B13R2.10 Nc1n[nH]c(n1)c2ccncc2 389d23221c7ef3f72a162c29c14cc2a5 [0,0,1,1,0,0|1,0,0]=3 81 B13R2.10 Nc1n[nH]c(n1)c2ccncn2 7c86fb58d9efc3c03acfe880c56eeab2 [0,0,1,1,0,0|2,0,0]=4 82 B13R2.10 Nc1n[nH]c(n1)c2ccnnc2 9c92c9b48d20f0830791b6185b595c11 [0,0,1,1,0,0|2,0,0]=4 83 B13R2.10 Nc1n[nH]c(n1)c2cnccn2 a9a2ef2de1f1477d3c840e49238ec84b [0,0,1,1,0,0|2,0,0]=4 84 B13R2.10 Nc1n[nH]c(n1)c2cncnc2 90cce01fa5a3c50dbcef6854b0d05db1 [0,0,1,1,0,0|2,0,0]=4 85 B13R2.10 Nc1n[nH]c(n1)c2ncccn2 b589b4f29074e48503435386ada4f004 [0,0,1,1,0,0|2,0,0]=4 86 B13R2.10 Nc1nc(c[nH]1)c2ccccc2 704c494e7ed0964cbdb202a28ca2d47b [0,0,1,1,0,0|1,0,1]=4 87 B13R2.10 Nc1nc(co1)c2ccccc2 c6a1a80f21c3f9f974cf52a67ba78947 [0,0,1,1,0,0|2,0,0]=4 88 B13R2.10 Nc1nc(cs1)c2ccccc2 7e0f852930d6c0fcbd191a3870954a29 [0,0,1,1,0,0|2,0,0]=4 89 B13R2.10 Nc1nc(ns1)c2ccccc2 3b00b708ded11ba2e35cd307ae8a5e7f [0,0,1,1,0,0|1,0,1]=4 90 B13R2.10 Nc1ncc(s1)c2ccccc2 46f7b1ccc007b1ec5c5a7f968c26b349 [0,0,1,1,0,0|2,0,0]=4 91 B13R2.10 Nc1nnc(o1)c2ccccc2 0f8218eb27431d1f22501ee0aa46f955 [0,0,1,1,0,0|1,0,1]=4 92 B13R2.10 Nc1nnc(s1)c2ccccc2 fc4e1290fca4fae944724969b4c5ae74 [0,0,1,1,0,0|1,0,1]=4 93 B13R2.10 Oc1nc(n[nH]1)c2ccccc2 9b04d8892b5cc2c2265b46336fad4944 [0,0,1,1,0,0|1,0,1]=4 94 B13R2.18 Brc1ccccc1c2c[nH]cn2 3766e827569eb0c9ccc4f7a1aac80864 [0,0,1,1,0,0|2,0,0]=4 95 B13R2.18 Brc1ccccc1c2nc[nH]n2 434c23effe725cee9fe1abae2dd4700d [0,0,1,1,0,0|1,0,1]=4 96 B13R2.18 Brc1ccccc1c2ncc[nH]2 cfa1f4fcbd0c9ee20e28d2dbd5701e22 [0,0,1,1,0,0|2,0,0]=4 97 B13R2.18 Cc1ccccc1c2c[nH]cn2 ad546fa5fb0fe19e70b7afebfa2b6c03 [0,0,1,1,0,0|2,0,0]=4 98 B13R2.18 Cc1ccccc1c2nc[nH]n2 cbb82692622234553d38ec50aaf2cbe2 [0,0,1,1,0,0|1,0,1]=4 99 B13R2.18 Cc1ccccc1c2ncc[nH]2 f7848a4acadd94a58e9e6149afcfe073 [0,0,1,1,0,0|2,0,0]=4 100 B13R2.18 Clc1ccccc1c2c[nH]cn2 e4249ebade29387528ce4552a62d0d4b [0,0,1,1,0,0|2,0,0]=4 101 B13R2.18 Clc1ccccc1c2nc[nH]n2 db50273f55943ecfd41615f0fff79164 [0,0,1,1,0,0|1,0,1]=4 102 B13R2.18 Clc1ccccc1c2ncc[nH]2 7a22adda479d78e54c3da38e7418d8bd [0,0,1,1,0,0|2,0,0]=4 103 B13R2.18 Fc1ccccc1c2c[nH]cn2 22416511e18cd11223bbad684c0e8705 [0,0,1,1,0,0|2,0,0]=4 104 B13R2.18 Fc1ccccc1c2nc[nH]n2 e57c745abfa5840fbfa448bea37df688 [0,0,1,1,0,0|1,0,1]=4 105 B13R2.18 Fc1ccccc1c2ncc[nH]2 a7eb1d638ca448ec455e33eef488aad5 [0,0,1,1,0,0|2,0,0]=4 106 B13R2.18 Ic1ccccc1c2c[nH]cn2 14f3f112816348c3266b2f57ece18266 [0,0,1,1,0,0|2,0,0]=4 107 B13R2.18 Ic1ccccc1c2nc[nH]n2 a445fe2f309967d130393060b5855db2 [0,0,1,1,0,0|1,0,1]=4 108 B13R2.18 Ic1ccccc1c2ncc[nH]2 6706f65a6f18fcdd8c076f6587f1f380 [0,0,1,1,0,0|2,0,0]=4 109 B13R2.18 Nc1ccccc1c2ncc[nH]2 c298a911a7d2e2b461ab0257740c4f09 [0,0,1,1,0,0|1,0,1]=4 110 B13R2.18 Oc1ccccc1c2c[nH]cn2 9e612f5e3781061920a8fb06b891d7c9 [0,0,1,1,0,0|2,0,0]=4 111 B13R2.18 Oc1ccccc1c2nc[nH]n2 83546ef12220d8fe3fd242395aeb4364 [0,0,1,1,0,0|1,0,1]=4 112 B13R2.18 Oc1ccccc1c2ncc[nH]2 a466ca3201349ca72d22e21feabb5c22 [0,0,1,1,0,0|2,0,0]=4 113 B13R2.18 Sc1ccccc1c2c[nH]cn2 ce10d9f57ac06452592577c3213bd0b3 [0,0,1,1,0,0|2,0,0]=4 114 B13R2.18 Sc1ccccc1c2ncc[nH]2 fb492b88b0933b7f1ef5d9937c63cc72 [0,0,1,1,0,0|2,0,0]=4