0 B15R2.9941 CCNc1c(ccc2c1cccc2)C 285c9f6af2f06a6dccc4cbfad8b8bd66 [0,1,0,0,0,0|2,0,0]=3 1 B15R2.9941 CCNc1c(ccc2c1cccc2)Cl aa13399b0d7cec9705ab43f5aedcabda [0,1,0,0,0,0|2,0,0]=3 2 B15R2.9941 CCNc1c(ccc2c1cccn2)Br abbb910abcb06d485e37d542a7bfa430 [0,1,0,0,0,0|3,0,0]=4 3 B15R2.9941 CCNc1c(ccc2c1cccn2)C f7c3a64b2c75d8ab74b3ec8845b002be [0,1,0,0,0,0|3,0,0]=4 4 B15R2.9941 CCNc1c(ccc2c1cccn2)Cl 01a523857fb15f47039f7b8b74fedb7c [0,1,0,0,0,0|3,0,0]=4 5 B15R2.9941 CCNc1c(ccc2c1cccn2)F 3848282390ccc7122f1c4ded0e509f61 [0,1,0,0,0,0|3,0,0]=4 6 B15R2.9941 CCNc1c(ccc2c1ccnc2)Br 9316c085b10e2f364efe0bc34cbe4bf0 [0,1,0,0,0,0|3,0,0]=4 7 B15R2.9941 CCNc1c(ccc2c1ccnc2)C c9b48741dc765c741c051bbb9a96009f [0,1,0,0,0,0|3,0,0]=4 8 B15R2.9941 CCNc1c(ccc2c1ccnc2)F 50fedde67b44b97fb5ccca2ccbcc0a4f [0,1,0,0,0,0|3,0,0]=4 9 B15R2.9941 CCNc1c(ccc2c1cncc2)Cl 742541ff622778e6a350195a8cc6cb15 [0,1,0,0,0,0|3,0,0]=4 10 B15R2.9941 CCNc1c(ccc2c1nccc2)Br 048a444eb7806c026d1af9a3b2711efd [0,1,0,0,0,0|3,0,0]=4 11 B15R2.9941 CCNc1c(ccc2c1nccc2)C 1f8d675f73029f3860aa217e071c44a8 [0,1,0,0,0,0|3,0,0]=4 12 B15R2.9941 CCNc1c(ccc2c1nccc2)Cl f451143df3ab1a195a0d1ebc78e9f6ca [0,1,0,0,0,0|3,0,0]=4 13 B15R2.9941 CCNc1c(cnc2c1cccc2)Br 6bebef8cc2ef66b6414aae1cfd673151 [0,1,0,0,0,0|3,0,0]=4 14 B15R2.9941 CCNc1c(cnc2c1cccc2)C 201453ece7f161742b38e8b01b0e1da8 [0,1,0,0,0,0|3,0,0]=4 15 B15R2.9941 CCNc1c(cnc2c1cccc2)Cl 52805088b633aabf393fc2a5c8f72abb [0,1,0,0,0,0|3,0,0]=4 16 B15R2.9941 CCNc1c(ncc2c1cccc2)Br 47e47a33066b658c83ac8ec6603d1eb6 [0,1,0,0,0,0|3,0,0]=4 17 B15R2.9941 CCNc1c(ncc2c1cccc2)Cl 0d37b9d9927c715e33f26f76436680b1 [0,1,0,0,0,0|3,0,0]=4 18 B15R2.9941 CCOc1c(ccc2c1cccc2)C 2e93b63e0cbe7a6a433bc66ac31248e2 [0,1,0,0,0,0|2,0,0]=3 19 B15R2.9941 CCOc1c(ccc2c1cccc2)Cl 16ad673a3fdb5bb5adc8829417d2d9a5 [0,1,0,0,0,0|2,0,0]=3 20 B15R2.9941 CCOc1c(ccc2c1cccc2)F 4fee152410e6801b1d5c91082295574b [0,1,0,0,0,0|2,0,0]=3 21 B15R2.9941 CCOc1c(ccc2c1cccn2)Br 656ff933ada307308925a5e2e9f35341 [0,1,0,0,0,0|3,0,0]=4 22 B15R2.9941 CCOc1c(ccc2c1cccn2)C 90163ba50efd0c4dfca7b35f1ca227bf [0,1,0,0,0,0|3,0,0]=4 23 B15R2.9941 CCOc1c(ccc2c1nccc2)Br 5b576a96562f4d8d1324e0a95a0f7af0 [0,1,0,0,0,0|3,0,0]=4 24 B15R2.9941 CCOc1c(ccc2c1nccc2)C f21354a444d634db9386067225199701 [0,1,0,0,0,0|3,0,0]=4 25 B15R2.9941 CCOc1c(ccc2c1nccc2)Cl 114c4a8ae40a37492efc1f163a76c66e [0,1,0,0,0,0|3,0,0]=4 26 B15R2.9941 CCOc1c(ccc2c1nccc2)F 17ce2d2709f91a32dadeb199c7aa83ac [0,1,0,0,0,0|3,0,0]=4 27 B15R2.9941 CCOc1c(cnc2c1cccc2)Br 50df20a81f064468ff0532c0fec25333 [0,1,0,0,0,0|3,0,0]=4 28 B15R2.9941 CCOc1c(cnc2c1cccc2)C 89bd43affae4deef80aaf3d6e7abc8ed [0,1,0,0,0,0|3,0,0]=4 29 B15R2.9941 CCOc1c(cnc2c1cccc2)Cl 989a68e34a774a8f5d3be861475d5071 [0,1,0,0,0,0|3,0,0]=4 30 B15R2.9941 CCOc1c(cnc2c1cccc2)I cfc8e5715f232356a02248ee886d8113 [0,1,0,0,0,0|3,0,0]=4 31 B15R2.9941 CCOc1c(ncc2c1cccc2)Cl 79453f0f9941aaf6446520216dad2f17 [0,1,0,0,0,0|3,0,0]=4 32 B15R2.9941 CCOn1c(=O)ccc2c1cccc2 dfc9433d98a76bf6361d825f2355c594 [0,1,0,0,0,0|2,0,1]=4 33 B15R2.9941 Cc1ccc2ccccc2c1NC#N d569c6d45ec4ab4edca073bc6ab3e8e4 [0,1,0,0,0,0|1,0,2]=4 34 B15R2.9941 Cc1ccc2ccccc2c1NC=O c7e0a2b774a2d8c3a483848fa5f75b77 [0,1,0,0,0,0|2,0,1]=4 35 B15R2.9941 Cc1ccc2ccccc2c1NCF a4686813e00a27a024a62bcbce9969ce [0,1,0,0,0,0|2,0,0]=3 36 B15R2.9941 Cc1ccc2ccccc2c1NCO 4265cb28c7709159977c9f4188bd20b0 [0,1,0,0,0,0|2,0,0]=3 37 B15R2.9941 Cc1ccc2ccccc2c1OCF 06174aad34126d184f2ca88cf0d044d7 [0,1,0,0,0,0|2,0,0]=3 38 B15R2.9941 Cc1ccc2cccnc2c1NCF f90316104ebdc487111afd0b8b9c5d7b [0,1,0,0,0,0|3,0,0]=4 39 B15R2.9941 Cc1ccc2cccnc2c1NCO 28554474dda25955869ea99acae4725f [0,1,0,0,0,0|3,0,0]=4 40 B15R2.9941 Cc1ccc2cccnc2c1OCF b934fdd7d0e8ce7b9e4f2668a62876a2 [0,1,0,0,0,0|3,0,0]=4 41 B15R2.9941 Cc1ccc2cnccc2c1NCF 6831df9006b0a606215a61a75134d57a [0,1,0,0,0,0|3,0,0]=4 42 B15R2.9941 Cc1ccc2cnccc2c1NCO 1733eee333b51fae3203316a5dbc7d33 [0,1,0,0,0,0|3,0,0]=4 43 B15R2.9941 Cc1ccc2ncccc2c1NCF 07d3c73fd0e63e30f8c5b53758ffb706 [0,1,0,0,0,0|3,0,0]=4 44 B15R2.9941 Cc1ccc2ncccc2c1NCO cde170ab76c7cf60802359aeffb7c758 [0,1,0,0,0,0|3,0,0]=4 45 B15R2.9941 Cc1ccc2ncccc2c1OCF dfc74417ee18fafb102847208e3f8557 [0,1,0,0,0,0|3,0,0]=4 46 B15R2.9941 Cc1cnc2ccccc2c1NCF 351d4612e9177cfab0e5ec728326a032 [0,1,0,0,0,0|3,0,0]=4 47 B15R2.9941 Cc1cnc2ccccc2c1NCO 41b4485a89c1fbcae3b5b556991475b1 [0,1,0,0,0,0|3,0,0]=4 48 B15R2.9941 Cc1cnc2ccccc2c1OCF 04667d88466189cd2842d80eaefe19bf [0,1,0,0,0,0|3,0,0]=4 49 B15R2.9941 FCNc1c(ccc2c1cccc2)Cl 650ba45dd2510d115a009c939a7e8a3e [0,1,0,0,0,0|2,0,0]=3 50 B15R2.9941 FCNc1c(ccc2c1cccn2)Br 30d701c07c82c4ff180f951de6a91577 [0,1,0,0,0,0|3,0,0]=4 51 B15R2.9941 FCNc1c(ccc2c1cccn2)Cl 4ac65d20e32b313e625ef86c69fb40b5 [0,1,0,0,0,0|3,0,0]=4 52 B15R2.9941 FCNc1c(ccc2c1cccn2)F ad7d2427c3430dae02f62a5cd1fb65bf [0,1,0,0,0,0|3,0,0]=4 53 B15R2.9941 FCNc1c(ccc2c1ccnc2)F c3797741b8c334e288e6c5c289b636a8 [0,1,0,0,0,0|3,0,0]=4 54 B15R2.9941 FCNc1c(ccc2c1cncc2)Cl 73be3ebe6652412026ee657f36d1a3c6 [0,1,0,0,0,0|3,0,0]=4 55 B15R2.9941 FCNc1c(ccc2c1nccc2)Br 7e662c250cce544c8adff50e00241f1f [0,1,0,0,0,0|3,0,0]=4 56 B15R2.9941 FCNc1c(ccc2c1nccc2)Cl a438c19f9f3f06e31f8d88126db75b61 [0,1,0,0,0,0|3,0,0]=4 57 B15R2.9941 FCNc1c(cnc2c1cccc2)Br 7ba7a21972167bcb77e5c569518a6fa9 [0,1,0,0,0,0|3,0,0]=4 58 B15R2.9941 FCNc1c(cnc2c1cccc2)Cl 7862cbe2d50a2b7231352eb36aaa6208 [0,1,0,0,0,0|3,0,0]=4 59 B15R2.9941 FCNc1c(ncc2c1cccc2)Br b856ddacdde92b2b1c2abaa0d91f152c [0,1,0,0,0,0|3,0,0]=4 60 B15R2.9941 FCNc1c(ncc2c1cccc2)Cl 71812a86342dc33293c299ea687c9822 [0,1,0,0,0,0|3,0,0]=4 61 B15R2.9941 FCOc1c(ccc2c1cccc2)Br 9ac9bed709fd561876f5778035cd399e [0,1,0,0,0,0|2,0,0]=3 62 B15R2.9941 FCOc1c(ccc2c1cccc2)Cl dc929bb87d60d621816e5e24afea83b9 [0,1,0,0,0,0|2,0,0]=3 63 B15R2.9941 FCOc1c(ccc2c1cccc2)F 1235f9870176dca2daebf260e3cd5814 [0,1,0,0,0,0|2,0,0]=3 64 B15R2.9941 FCOc1c(ccc2c1cccn2)Br edfe2f212994b9eaf826ef8b5d289652 [0,1,0,0,0,0|3,0,0]=4 65 B15R2.9941 FCOc1c(ccc2c1nccc2)Br 8f1d1fa1fd2141462968d3142bdc1051 [0,1,0,0,0,0|3,0,0]=4 66 B15R2.9941 FCOc1c(ccc2c1nccc2)Cl 13d6f6af145daecd00f34d49c61a60ba [0,1,0,0,0,0|3,0,0]=4 67 B15R2.9941 FCOc1c(ccc2c1nccc2)F 452a414abb9d334b8ffd635f9da6e250 [0,1,0,0,0,0|3,0,0]=4 68 B15R2.9941 FCOc1c(cnc2c1cccc2)Br 2ad32f8a5f38c6f34dccfd05760dd00e [0,1,0,0,0,0|3,0,0]=4 69 B15R2.9941 FCOc1c(cnc2c1cccc2)Cl 92152a6692c44c0d30780821bdc5b1ed [0,1,0,0,0,0|3,0,0]=4 70 B15R2.9941 FCOc1c(cnc2c1cccc2)I e12098fbd2b064d8f43c817b8fd5ad3e [0,1,0,0,0,0|3,0,0]=4 71 B15R2.9941 FCOc1c(ncc2c1cccc2)Cl a417a1d0ed12044ed45c54f469f3c5a1 [0,1,0,0,0,0|3,0,0]=4 72 B15R2.9941 O=CNc1c(ccc2c1cccc2)Cl 21fd6b81423ff2d385215785cafa6650 [0,1,0,0,0,0|2,0,1]=4 73 B15R2.9941 O=CNc1c(ccc2c1cccc2)O ed536921976830f2ec7496164ac3daf1 [0,1,0,0,0,0|1,0,1]=3 74 B15R2.9941 O=c1ccc2ccccc2n1OCF c4173cd865942d0bcb04bc2820e0a373 [0,1,0,0,0,0|2,0,1]=4 75 B15R2.9941 OCNc1c(ccc2c1cccc2)Br 53f3a4e5ae8fee53d47a9e1a9810e6ef [0,1,0,0,0,0|2,0,0]=3 76 B15R2.9941 OCNc1c(ccc2c1cccc2)Cl 923f8f91719fa245a50e410dc7821b26 [0,1,0,0,0,0|2,0,0]=3 77 B15R2.9941 OCNc1c(ccc2c1cccn2)Br d3ede3fd1e17594a4db4f6f8af2cc2b3 [0,1,0,0,0,0|3,0,0]=4 78 B15R2.9941 OCNc1c(ccc2c1cccn2)Cl df3c95f7a5d10fa92609d9343c9de976 [0,1,0,0,0,0|3,0,0]=4 79 B15R2.9941 OCNc1c(ccc2c1cccn2)F e180fb06ea8bff96305c9eaf17236793 [0,1,0,0,0,0|3,0,0]=4 80 B15R2.9941 OCNc1c(ccc2c1ccnc2)Br 9ba0b882b48c2a146f89a846d3f7fa68 [0,1,0,0,0,0|3,0,0]=4 81 B15R2.9941 OCNc1c(ccc2c1ccnc2)F c31e3f0498ed2218f2b37556154efd86 [0,1,0,0,0,0|3,0,0]=4 82 B15R2.9941 OCNc1c(ccc2c1cncc2)Cl 08deb6641a1c76473cf3bd072c2b13d2 [0,1,0,0,0,0|3,0,0]=4 83 B15R2.9941 OCNc1c(ccc2c1nccc2)Br b4dc0c52b9085e6c295e3d6575a76ca2 [0,1,0,0,0,0|3,0,0]=4 84 B15R2.9941 OCNc1c(ccc2c1nccc2)Cl 372e7a2a0a33a657f25ef45188c78432 [0,1,0,0,0,0|3,0,0]=4 85 B15R2.9941 OCNc1c(cnc2c1cccc2)Br 98a00ad78efcb0e110f5d75b42ad6e89 [0,1,0,0,0,0|3,0,0]=4 86 B15R2.9941 OCNc1c(cnc2c1cccc2)Cl 5ccb8e486858ab8e928822fae8f42ffb [0,1,0,0,0,0|3,0,0]=4 87 B15R2.9941 OCNc1c(ncc2c1cccc2)Br 680fc89e9cb3938e50493abb6c7896b9 [0,1,0,0,0,0|3,0,0]=4 88 B15R2.9941 OCNc1c(ncc2c1cccc2)Cl b210790d5b0d862fa5ff4d52d707c52a [0,1,0,0,0,0|3,0,0]=4 89 B13R1.485 CCOc1ccccc1/C=C/C=O ccb567863dbed3d7b02743716f9de146 [0,0,1,0,0,0|2,0,1]=4 90 B13R1.485 O=C/C=C/c1ccccc1OCF 8349f9fdebfa9a32e6315d72220c96cf [0,0,1,0,0,0|2,0,1]=4 91 B13R1.532 C=CC(=O)N(CC)c1ccccc1 667b07f2c5c88d47e8105ee3c9dd404a [0,0,1,0,0,0|2,0,1]=4 92 B12R1.34 C=CC(=O)N(C)c1ccccc1 8baca86d71e1f07fdf4903690f6dba66 [1,0,1,0,0,0|1,0,1]=4 93 B14R1.482 CCOc1ccccc1/C=C/C(=O)O 2bcc049c281b2df672bd2521768bed44 [0,1,1,0,0,0|2,0,0]=4 94 B14R1.482 O=C(O)/C=C/c1ccccc1OCF 2b8ec521c10cb33a13742f48bd7eb5fa [0,1,1,0,0,0|2,0,0]=4 95 B14R1.3405 C=CC(=O)Nc1ccc(c(c1)CO)O deb674933212101b68ebb6c0ff3dd18d [0,1,1,0,0,0|2,0,0]=4 96 B14R2.7150 CCNc1cccc2c1cccn2 e6e7ed27fc40b55a2f7560267ff11a70 [1,1,0,0,0,0|2,0,0]=4 97 B14R2.7150 CCNc1cccc2c1ccnc2 62929618301ab09327248b6d35e8d453 [1,1,0,0,0,0|2,0,0]=4 98 B14R2.7150 CCNc1cccc2c1cncc2 7c521aff2647678193cdc437f5267d93 [1,1,0,0,0,0|2,0,0]=4 99 B14R2.7150 CCNc1cccc2c1nccc2 16d8e66823aead4cb4dfb3523fefe361 [1,1,0,0,0,0|2,0,0]=4 100 B14R2.7150 CCNc1ccnc2c1cccc2 f5147b5abd1b7f5d8d0e7d7b4a51ece7 [1,1,0,0,0,0|2,0,0]=4 101 B14R2.7150 CCNc1cncc2c1cccc2 206e9f07025d14f654c7da62a0d2ebd7 [1,1,0,0,0,0|2,0,0]=4 102 B14R2.7150 CCNc1nccc2c1cccc2 11fd011933dc48b15b02e4612b2a4bfa [1,1,0,0,0,0|2,0,0]=4 103 B14R2.7150 CCOc1cccc2c1cccc2 99a6a3a46ff0c7e3e8a1d045886b7fc6 [1,1,0,0,0,0|1,0,0]=3 104 B14R2.7150 CCOc1cccc2c1cccn2 af785ad7c99ea92e4c3fda59829da971 [1,1,0,0,0,0|2,0,0]=4 105 B14R2.7150 CCOc1cccc2c1ccnc2 651d70445fd11fabf6310cdab3b86256 [1,1,0,0,0,0|2,0,0]=4 106 B14R2.7150 CCOc1cccc2c1cncc2 4c919f362c16ec6932fd289e4ce0791c [1,1,0,0,0,0|2,0,0]=4 107 B14R2.7150 CCOc1cccc2c1nccc2 970e32578de3b39f9261281a21a4cbd5 [1,1,0,0,0,0|2,0,0]=4 108 B14R2.7150 CCOc1ccnc2c1cccc2 2f347e7ad60e9f3f0ec1d5ffd1b6d722 [1,1,0,0,0,0|2,0,0]=4 109 B14R2.7150 CCOc1cncc2c1cccc2 27e49490b2a8c68b6f80427425c7ff35 [1,1,0,0,0,0|2,0,0]=4 110 B14R2.7150 CCOc1nccc2c1cccc2 627da3d4602875a3fe121b00a52343b5 [1,1,0,0,0,0|2,0,0]=4 111 B14R2.7150 FCNc1cccc2c1cccn2 f0815339f190f9dc592af7c16a5f84eb [1,1,0,0,0,0|2,0,0]=4 112 B14R2.7150 FCNc1cccc2c1ccnc2 65da9fcda9bb4836086d6629c91ace0a [1,1,0,0,0,0|2,0,0]=4 113 B14R2.7150 FCNc1cccc2c1cncc2 020d688f163ef6864bd75d5bfdcd2f57 [1,1,0,0,0,0|2,0,0]=4 114 B14R2.7150 FCNc1cccc2c1nccc2 23d3e4b5153bf5a765774036a29adb6e [1,1,0,0,0,0|2,0,0]=4 115 B14R2.7150 FCNc1ccnc2c1cccc2 615113f6151b2f9ae93242fe594f4634 [1,1,0,0,0,0|2,0,0]=4 116 B14R2.7150 FCNc1cncc2c1cccc2 717479e0ce7fcde7519156c0e25d5f19 [1,1,0,0,0,0|2,0,0]=4 117 B14R2.7150 FCNc1nccc2c1cccc2 eec15ef88bd42e90abbcf09546c525a0 [1,1,0,0,0,0|2,0,0]=4 118 B14R2.7150 FCOc1cccc2c1cccc2 342779f054d02ae865cdda589c7fc5f6 [1,1,0,0,0,0|1,0,0]=3 119 B14R2.7150 FCOc1cccc2c1cccn2 bc60e257d8bf39c602516e60821d9ba3 [1,1,0,0,0,0|2,0,0]=4 120 B14R2.7150 FCOc1cccc2c1ccnc2 cec59df269f4caa2ef5ed9214bd03180 [1,1,0,0,0,0|2,0,0]=4 121 B14R2.7150 FCOc1cccc2c1cncc2 4f2be501b75d3c06c1bea68ed3dd7881 [1,1,0,0,0,0|2,0,0]=4 122 B14R2.7150 FCOc1cccc2c1nccc2 36246ce4b6c280392aa2fe86d0ec588b [1,1,0,0,0,0|2,0,0]=4 123 B14R2.7150 FCOc1ccnc2c1cccc2 d13c5010a87ab0afd69d3dc5caaa8365 [1,1,0,0,0,0|2,0,0]=4 124 B14R2.7150 FCOc1cncc2c1cccc2 f9c1754966063a1cd4fcf413bdbcf931 [1,1,0,0,0,0|2,0,0]=4 125 B14R2.7150 FCOc1nccc2c1cccc2 ce59e3058552bfc442a9d2eeacb6a1cd [1,1,0,0,0,0|2,0,0]=4 126 B14R2.7150 OCNc1cccc2c1cccn2 3d08b2fcf36de2f15a47d4c41dcbb26e [1,1,0,0,0,0|2,0,0]=4 127 B14R2.7150 OCNc1cccc2c1ccnc2 82c00b0be0525deeb86fe48f328cc83d [1,1,0,0,0,0|2,0,0]=4 128 B14R2.7150 OCNc1cccc2c1cncc2 5524c0a60d5af0fb4f0b8aa12c2cca7c [1,1,0,0,0,0|2,0,0]=4 129 B14R2.7150 OCNc1cccc2c1nccc2 a22dd1786308d575389c44df6e6ca85b [1,1,0,0,0,0|2,0,0]=4 130 B14R2.7150 OCNc1ccnc2c1cccc2 a08779da4076d3fd5f60f3454e86bdd0 [1,1,0,0,0,0|2,0,0]=4 131 B14R2.7150 OCNc1cncc2c1cccc2 80830474b883b5ef41d16501378dbb39 [1,1,0,0,0,0|2,0,0]=4 132 B14R2.7150 OCNc1nccc2c1cccc2 5a268954e10acc1b4a8b743c0a7d82d4 [1,1,0,0,0,0|2,0,0]=4 133 B16R2.34040 CCN(C)c1c(ccc2c1cccc2)C 71627006c582a8f3c55162eb3b516a25 [0,2,0,0,0,0|2,0,0]=4 134 B16R2.28256 CCOc1ccc2ccccc2c1C#N eb96bc1a34e7ddd665417db3500840b8 [0,2,0,0,0,0|0,0,2]=4 135 B16R2.28256 CCOc1ccc2ccccc2c1C=O 5bdc454d7bb6d20a9c5f899c28a01210 [0,2,0,0,0,0|1,0,1]=4 136 B16R2.28256 CCOc1ccc2ccccc2c1N=O 5fb2fce20725dd4e7fed67b36c4d1478 [0,2,0,0,0,0|2,0,0]=4 137 B16R2.28256 N#Cc1c(ccc2c1cccc2)OCF 15363773ca53a5c2ee36d06b2dc99e59 [0,2,0,0,0,0|0,0,2]=4 138 B16R2.28256 O=Cc1c(ccc2c1cccc2)OCF 8d7777b7e4d6d0b2f8fbb30f285e42f7 [0,2,0,0,0,0|1,0,1]=4 139 B16R2.28256 O=Nc1c(ccc2c1cccc2)OCF 4260e6cc789d30492bd245d7e5360b94 [0,2,0,0,0,0|2,0,0]=4 140 B16R2.105078 CCNc1c(ccc2c1cccc2)C#N 4faf08bfdc75cee3b908eb7b69f5e316 [0,2,0,0,0,0|2,0,0]=4 141 B16R2.105078 CCNc1c(ccc2c1cccc2)OC 2dc82b9c580c81bca41d3f6a5c4c69d5 [0,2,0,0,0,0|1,0,0]=3 142 B16R2.105078 CCNc1c(ccc2c1cccn2)OC 8d290029d5c085f000186415af1555cc [0,2,0,0,0,0|2,0,0]=4 143 B16R2.105078 CCNc1c(ccc2c1cncc2)OC 7b76913c0eefe961b80bedfcb3ff0b8c [0,2,0,0,0,0|2,0,0]=4 144 B16R2.105078 CCNc1c(ccc2c1nccc2)OC 4176b0208a84549844997daff7b9ef71 [0,2,0,0,0,0|2,0,0]=4 145 B16R2.105078 CCOc1c(ccc2c1cccc2)C=O 09428acd8e764e1e9e34963bea57f5a2 [0,2,0,0,0,0|1,0,1]=4 146 B16R2.105078 CCOc1c(ccc2c1cccc2)N=O bfac72373dcdcb32c3f1ab5ff6346d15 [0,2,0,0,0,0|1,0,1]=4 147 B16R2.105078 CCOc1c(ccc2c1cccc2)OC ecc456b597b361f8c9d5c92698c55c8b [0,2,0,0,0,0|1,0,0]=3 148 B16R2.105078 COc1ccc2ccccc2c1NC=O f4889966632f59398a9b4f1ea9e4c3f6 [0,2,0,0,0,0|1,0,1]=4 149 B16R2.105078 COc1ccc2ccccc2c1NCO 0944bb4bc1b3bcc7eee9ca9d59d9de9e [0,2,0,0,0,0|1,0,0]=3 150 B16R2.105078 COc1ccc2cccnc2c1NCF 22f15d33a17a120f6aefbb3bf8246b0c [0,2,0,0,0,0|2,0,0]=4 151 B16R2.105078 COc1ccc2cccnc2c1NCO 73713d0322a110a368ac4f94f9fc9204 [0,2,0,0,0,0|2,0,0]=4 152 B16R2.105078 COc1ccc2ccncc2c1NCF 5a559f43671c4362905867883a439fba [0,2,0,0,0,0|2,0,0]=4 153 B16R2.105078 COc1ccc2ccncc2c1NCO d575fd4f3a7efce435ce2ca254ea3211 [0,2,0,0,0,0|2,0,0]=4 154 B16R2.105078 COc1ccc2ncccc2c1NCF 84f1b1edc26e87aadc4e8ee63eac0314 [0,2,0,0,0,0|2,0,0]=4 155 B16R2.105078 COc1ccc2ncccc2c1NCO e82237c30a37924014946c9ceb1634b2 [0,2,0,0,0,0|2,0,0]=4 156 B16R2.105078 N#Cc1ccc2ccccc2c1NCF 35e544581e5a137520c068b34a71e1f4 [0,2,0,0,0,0|2,0,0]=4 157 B16R2.105078 N#Cc1ccc2ccccc2c1NCO 8aedbaf929485c52e5153efadf976b47 [0,2,0,0,0,0|2,0,0]=4 158 B16R2.105078 O=Cc1ccc2ccccc2c1OCF 4dc62a07805718823fe676310407e344 [0,2,0,0,0,0|1,0,1]=4 159 B16R2.105078 O=Nc1ccc2ccccc2c1OCF 924a7d7b9023dd6edc7241e0650d8931 [0,2,0,0,0,0|1,0,1]=4 160 B16R2.44545 CCNc1c(cc(c2c1cccc2)Br)Br 94290663411cb75ef5b1bdcc0c7f15e2 [0,2,0,0,0,0|2,0,0]=4 161 B16R2.44545 CCNc1c(cc(c2c1cccc2)Br)C 79663d4905335641dabe5a7322ccdd7f [0,2,0,0,0,0|2,0,0]=4 162 B16R2.44545 CCNc1c(cc(c2c1cccc2)Cl)Cl 2f121e8891fff94e33766c8190fd20a2 [0,2,0,0,0,0|2,0,0]=4 163 B16R2.44545 CCOc1c(cc(c2c1cccc2)Br)Br 8d4e678eda15336158ef0d25bcc257c4 [0,2,0,0,0,0|2,0,0]=4 164 B16R2.44545 CCOc1c(cc(c2c1cccc2)Cl)Cl 6d1182152ce07ca45dc324c88b4835cb [0,2,0,0,0,0|2,0,0]=4 165 B16R2.44545 CCOc1c(cc(c2c1cccc2)F)Br ec036e7d413efe7061333e92deae2258 [0,2,0,0,0,0|2,0,0]=4 166 B16R2.44545 Cc1cc(c2ccccc2c1NCF)Br da30b4c275506023e0eaad216fe15334 [0,2,0,0,0,0|2,0,0]=4 167 B16R2.44545 Cc1cc(c2ccccc2c1NCO)Br 19357e2c1ab0370f6ce8615a87ec23c2 [0,2,0,0,0,0|2,0,0]=4 168 B16R2.44545 FCNc1c(cc(c2c1cccc2)Br)Br 0ec836ab8bb289991f5394a543fbe7d9 [0,2,0,0,0,0|2,0,0]=4 169 B16R2.44545 FCNc1c(cc(c2c1cccc2)Cl)Cl 743bc1e9594bbcb1aa081112f5d4f23b [0,2,0,0,0,0|2,0,0]=4 170 B16R2.44545 FCOc1c(cc(c2c1cccc2)Br)Br 92e0edf2415e428fcd88ea9007044268 [0,2,0,0,0,0|2,0,0]=4 171 B16R2.44545 FCOc1c(cc(c2c1cccc2)Cl)Cl 7ae5c797f9a3e65d08b56b2be4b1437a [0,2,0,0,0,0|2,0,0]=4 172 B16R2.44545 FCOc1c(cc(c2c1cccc2)F)Br 4a463648a734626d2cb5aebd02588df0 [0,2,0,0,0,0|2,0,0]=4 173 B16R2.44545 OCNc1c(cc(c2c1cccc2)Br)Br 4f1b7fa0c0a0b6c0d4b5ddcf703717aa [0,2,0,0,0,0|2,0,0]=4 174 B16R2.44545 OCNc1c(cc(c2c1cccc2)Cl)Cl 2a9cbac385390ed8d7f4156706caa308 [0,2,0,0,0,0|2,0,0]=4 175 B16R2.333 CC(=O)Nc1c(ccc2c1cccc2)O f52a6595ec54ab49769f882495cc25ea [0,2,0,0,0,0|1,0,1]=4 176 B16R2.333 CC(C)Nc1c(ccc2c1cccc2)Cl 62bcb58ceb7dd871b7acde12f62441ed [0,2,0,0,0,0|2,0,0]=4 177 B16R2.333 CC(C)Oc1c(ccc2c1cccc2)Cl 1956ef2791cd5aa8e046b494b2471559 [0,2,0,0,0,0|2,0,0]=4 178 B16R2.333 CC(C)Oc1c(ccc2c1cccc2)F 4cf92b9e25e9c74c6319afa343e666a8 [0,2,0,0,0,0|2,0,0]=4 179 B16R2.333 Cc1ccc2ccccc2c1NC(C)C 7564b3a6902d9fcfa1116f5e7b21a121 [0,2,0,0,0,0|2,0,0]=4 180 B16R2.333 Cc1ccc2ccccc2c1OC(C)C 38b329161616d2b21fb9ca59ea9ca5fe [0,2,0,0,0,0|2,0,0]=4 181 B16R2.30013 C#CCNc1c(ccc2c1cccc2)C 2f53a68d07fa63a16f96575238a63a15 [0,2,0,0,0,0|2,0,0]=4 182 B16R2.30013 C#CCNc1c(ccc2c1cccc2)Cl c70c2b00644d3f73a8da31cd80d5fff9 [0,2,0,0,0,0|2,0,0]=4 183 B16R2.30013 C#CCOc1c(ccc2c1cccc2)Br c6121e79bc1fb0888cae5d358b8c9b99 [0,2,0,0,0,0|2,0,0]=4 184 B16R2.30013 C#CCOc1c(ccc2c1cccc2)C dd0a5cec48e67c4c03ac49525b825ec9 [0,2,0,0,0,0|2,0,0]=4 185 B16R2.30013 C#CCOc1c(ccc2c1cccc2)Cl aaa0e9e99126eca2a65d82e8801a87f1 [0,2,0,0,0,0|2,0,0]=4 186 B16R2.30013 C#CCOc1c(ccc2c1cccc2)F 63aaee9df34e1afd4354498441b8d054 [0,2,0,0,0,0|2,0,0]=4 187 B16R2.30013 C=CCNc1c(ccc2c1cccc2)Br e3f468ac1690c55f63d328c565968399 [0,2,0,0,0,0|2,0,0]=4 188 B16R2.30013 C=CCNc1c(ccc2c1cccc2)C 958aec3a6ae0f43dfa35abbc03ee09ea [0,2,0,0,0,0|2,0,0]=4 189 B16R2.30013 C=CCNc1c(ccc2c1cccc2)Cl 6ab219ac8fa058e42472e5c40a8b832e [0,2,0,0,0,0|2,0,0]=4 190 B16R2.30013 C=CCOc1c(ccc2c1cccc2)Br 88f65ae3191b1f2dd3c5c8caf4858e7c [0,2,0,0,0,0|2,0,0]=4 191 B16R2.30013 C=CCOc1c(ccc2c1cccc2)C 09e1c36d4a1a71c83a1b98bec1d8b398 [0,2,0,0,0,0|2,0,0]=4 192 B16R2.30013 C=CCOc1c(ccc2c1cccc2)Cl 51c21e27b85941e88aa477c561a51e49 [0,2,0,0,0,0|2,0,0]=4 193 B16R2.30013 C=CCOc1c(ccc2c1cccc2)F 89cd99a99b5f0ce307d6d38858a8091e [0,2,0,0,0,0|2,0,0]=4 194 B16R2.30013 CCCNc1c(ccc2c1cccc2)C 02f9bf3c86053784c4a5a42725e17180 [0,2,0,0,0,0|2,0,0]=4 195 B16R2.30013 CCCNc1c(ccc2c1cccc2)Cl abcf4d9cf5072ac412ffff1caa5af747 [0,2,0,0,0,0|2,0,0]=4 196 B16R2.30013 CCCOc1c(ccc2c1cccc2)C 32785a6044e84a691108a740ee4e91b6 [0,2,0,0,0,0|2,0,0]=4 197 B16R2.30013 CCCOc1c(ccc2c1cccc2)Cl 7d235a063ddf7d5f465a7f3b82a33ede [0,2,0,0,0,0|2,0,0]=4 198 B16R2.30013 CCCOc1c(ccc2c1cccc2)F 87f3716b94c8ff60573f62b106f4b7a0 [0,2,0,0,0,0|2,0,0]=4 199 B16R2.30013 CCNCc1c(ccc2c1cccn2)C 53c96e4ee6512d1472279a451ebe8230 [0,2,0,0,0,0|2,0,0]=4 200 B16R2.30013 COCNc1c(ccc2c1cccc2)Br fe5cc98e8e9df86c87a9a84ce931e1eb [0,2,0,0,0,0|2,0,0]=4 201 B16R2.30013 COCNc1c(ccc2c1cccc2)C 195c07ada897fe69a057035d4f9fbf12 [0,2,0,0,0,0|2,0,0]=4 202 B16R2.30013 COCNc1c(ccc2c1cccc2)Cl bdcf817c4db32bd5b989e7720523c874 [0,2,0,0,0,0|2,0,0]=4 203 B16R2.30013 COCOc1c(ccc2c1cccc2)C c4997411640cc5da297f965d7fd474b7 [0,2,0,0,0,0|2,0,0]=4 204 B16R2.30013 COCOc1c(ccc2c1cccc2)Cl 46da1164ba601c2b1eb435cebcf30dad [0,2,0,0,0,0|2,0,0]=4 205 B16R2.30013 COCOc1c(ccc2c1cccc2)F ce75017b87a13b0dbfca124c50f0c03c [0,2,0,0,0,0|2,0,0]=4 206 B16R2.30013 CSCNc1c(ccc2c1cccc2)C 91b9be9c449cffe56f0a29337c82061a [0,2,0,0,0,0|2,0,0]=4 207 B16R2.30013 CSCNc1c(ccc2c1cccc2)Cl 634f08680179f28349ad2d0c54f4c6ec [0,2,0,0,0,0|2,0,0]=4 208 B16R2.30013 CSCOc1c(ccc2c1cccc2)C 7442402a48f42ac07c8c9733f270af11 [0,2,0,0,0,0|2,0,0]=4 209 B16R2.30013 CSCOc1c(ccc2c1cccc2)Cl 52a8eddd288b476457d9d96446123db6 [0,2,0,0,0,0|2,0,0]=4 210 B16R2.30013 CSCOc1c(ccc2c1cccc2)F ab4b80e2cc6248cf566dd1c0d52d78cc [0,2,0,0,0,0|2,0,0]=4 211 B16R2.30013 Cc1ccc2ccccc2c1CNC#N 9e137ac3a962f3b2097d8027d2835d0e [0,2,0,0,0,0|1,0,0]=3 212 B16R2.30013 Cc1ccc2ccccc2c1NCC#N cced6cb97256fc497d44453ff0733a28 [0,2,0,0,0,0|1,0,1]=4 213 B16R2.30013 Cc1ccc2ccccc2c1NCC=O 376cfb625412f9592142354e5842ee76 [0,2,0,0,0,0|2,0,0]=4 214 B16R2.30013 Cc1ccc2ccccc2c1NCCBr dcdd56d5656abce512bfdf9e62744820 [0,2,0,0,0,0|2,0,0]=4 215 B16R2.30013 Cc1ccc2ccccc2c1NCCF e60cf3abf3d178493216694418607217 [0,2,0,0,0,0|2,0,0]=4 216 B16R2.30013 Cc1ccc2ccccc2c1NCCI 4126bff55fd5c49bf3ce14e4718177fd [0,2,0,0,0,0|2,0,0]=4 217 B16R2.30013 Cc1ccc2ccccc2c1NCCO 5f046ca156b3b0f6d7e149601ddbb231 [0,2,0,0,0,0|2,0,0]=4 218 B16R2.30013 Cc1ccc2ccccc2c1NCCS 2ce8b0d25670a26b42c5f472210d8101 [0,2,0,0,0,0|2,0,0]=4 219 B16R2.30013 Cc1ccc2ccccc2c1OCC#N 4f4dd656d389a90f627fa64a9ee326c0 [0,2,0,0,0,0|1,0,1]=4 220 B16R2.30013 Cc1ccc2ccccc2c1OCC=O 26dab8f15ba3bccbff222a392a3d54ae [0,2,0,0,0,0|2,0,0]=4 221 B16R2.30013 Cc1ccc2ccccc2c1OCCF 128b32741298f214f69cfd7ca1d7fe1d [0,2,0,0,0,0|2,0,0]=4 222 B16R2.30013 Cc1ccc2ccccc2c1OCCS a67f7a2f638a66350b9b44b0b1bb3e04 [0,2,0,0,0,0|2,0,0]=4 223 B16R2.30013 Cc1ccc2ncccc2c1CNC=O 703a65ee54c463fd8cba96474e6fe410 [0,2,0,0,0,0|2,0,0]=4 224 B16R2.30013 Cc1ccc2ncccc2c1CNCF 037f1e592abf1667a648f76ac534c162 [0,2,0,0,0,0|2,0,0]=4 225 B16R2.30013 Cc1ccc2ncccc2c1CNCO c74d3b5ac7b9f3db285e4d1bc7f6bafc [0,2,0,0,0,0|2,0,0]=4 226 B16R2.30013 FCCNc1c(ccc2c1cccc2)Br 93df25cbb71361d9921b9751f80cd837 [0,2,0,0,0,0|2,0,0]=4 227 B16R2.30013 FCCNc1c(ccc2c1cccc2)Cl 48d735326ff753e8042ea67c02e4359c [0,2,0,0,0,0|2,0,0]=4 228 B16R2.30013 FCCOc1c(ccc2c1cccc2)Cl 93d22395d892a36b6274bc37cc7bc3ff [0,2,0,0,0,0|2,0,0]=4 229 B16R2.30013 FCCOc1c(ccc2c1cccc2)F 002a0fa5f515bc5ba9d82dea29b31da3 [0,2,0,0,0,0|2,0,0]=4 230 B16R2.30013 Fc1ccc2ccccc2c1NCCS 2e299892488d0c19df58d9d76a6556cb [0,2,0,0,0,0|2,0,0]=4 231 B16R2.30013 Fc1ccc2ccccc2c1OCCS bbce9d181414369a147c6533932c7985 [0,2,0,0,0,0|2,0,0]=4 232 B16R2.30013 N#CCNc1c(ccc2c1cccc2)Br 5b38062a824c7c0d3ae38b9ea6362b7e [0,2,0,0,0,0|1,0,1]=4 233 B16R2.30013 N#CCNc1c(ccc2c1cccc2)Cl f03a05a2fbc439ed8c015837d89e8cd0 [0,2,0,0,0,0|1,0,1]=4 234 B16R2.30013 N#CCOc1c(ccc2c1cccc2)Br bfc5ffa19f653ac6b4cc8274b4f6ab53 [0,2,0,0,0,0|1,0,1]=4 235 B16R2.30013 N#CCOc1c(ccc2c1cccc2)Cl 805373cd9b3ec0aebd2020d5a288a8f0 [0,2,0,0,0,0|1,0,1]=4 236 B16R2.30013 N#CCOc1c(ccc2c1cccc2)F b92c8102db7818388144158f4406feb2 [0,2,0,0,0,0|1,0,1]=4 237 B16R2.30013 O=CCNc1c(ccc2c1cccc2)Br 3c7fceb4fd6f7429e7216d4721547e38 [0,2,0,0,0,0|2,0,0]=4 238 B16R2.30013 O=CCNc1c(ccc2c1cccc2)Cl 6a85665553e292e6fbaee2cb322a0590 [0,2,0,0,0,0|2,0,0]=4 239 B16R2.30013 O=CCOc1c(ccc2c1cccc2)Br 2b908ce7c6a41b192f04d66e1e0b88df [0,2,0,0,0,0|2,0,0]=4 240 B16R2.30013 O=CCOc1c(ccc2c1cccc2)Cl cfd330217ebe6925f8c2213504c1b103 [0,2,0,0,0,0|2,0,0]=4 241 B16R2.30013 O=CCOc1c(ccc2c1cccc2)F 2501b2b98c08502751da999babbf6183 [0,2,0,0,0,0|2,0,0]=4 242 B16R2.30013 OCCNc1c(ccc2c1cccc2)Cl 2145a40cb70305d778038b028066ec22 [0,2,0,0,0,0|2,0,0]=4 243 B16R2.30013 OCCNc1c(ccc2c1cccc2)F c5398872c65e559882fc9f746e8dce1f [0,2,0,0,0,0|2,0,0]=4 244 B16R2.30013 SCCNc1c(ccc2c1cccc2)Br 348a259a7ffcf37ee51777b0c1a53228 [0,2,0,0,0,0|2,0,0]=4 245 B16R2.30013 SCCNc1c(ccc2c1cccc2)Cl 8fca6c5de05d30cb963a302fffb02478 [0,2,0,0,0,0|2,0,0]=4 246 B16R2.30013 SCCOc1c(ccc2c1cccc2)Br cacb39e6cc2d8ed8ae2d7518b85e0ab5 [0,2,0,0,0,0|2,0,0]=4 247 B16R2.30013 SCCOc1c(ccc2c1cccc2)Cl 5dd998fa0cb6568af76bc496e7e05260 [0,2,0,0,0,0|2,0,0]=4 248 B14R2.21 Oc1cccc(c1)c2ccccc2 152b8ae50a4d1b2f6ca3102674c75660 [0,0,1,1,0,0|1,0,1]=4 249 B14R2.21 Oc1ccnc(c1)c2ccccc2 569627a87371c5fe265cd37d91b2cdde [0,0,1,1,0,0|0,0,2]=4 250 B14R2.21 Oc1cncc(c1)c2ccccc2 7b32f4f73a25d6b7c89e859eaf063420 [0,0,1,1,0,0|2,0,0]=4 251 B14R2.21 Oc1cnnc(c1)c2ccccc2 773bf50bfbdedafe19ebdd141ff4c570 [0,0,1,1,0,0|1,0,1]=4 252 B14R2.98 C=Cc1ccccc1c2cc[nH]c2 44f2f7ac4f770333d401c3a16fe8d39b [0,0,1,1,0,0|1,0,1]=4 253 B14R2.98 C=Cc1ccccc1c2cc[nH]n2 46b287c4cb3137c22f0ffd2a19164528 [0,0,1,1,0,0|2,0,0]=4 254 B14R2.98 C=Cc1ccccc1c2ccoc2 40eadab2c486619ec64e51059ea48da1 [0,0,1,1,0,0|1,0,1]=4 255 B14R2.98 C=Cc1ccccc1c2cn[nH]c2 21cadd56eddc71fd49e3b19b5f7b3302 [0,0,1,1,0,0|1,0,1]=4 256 B14R2.98 C=Cc1ccccc1c2cnoc2 79d486c1a8cf665a66b32cd6344f2bab [0,0,1,1,0,0|0,0,2]=4 257 B14R2.98 C=Cc1ccccc1c2cocn2 f545f269cd68c8497ebd2546f757fa01 [0,0,1,1,0,0|2,0,0]=4 258 B14R2.24 O=c1cc[nH]cc1c2ccccc2 79a85a0e36370e941b5e27218e5681d9 [0,0,1,1,0,0|0,0,2]=4 259 B14R2.24 Oc1ccccc1c2ccccc2 bb058c28969f6694305e7d72f81e8803 [0,0,1,1,0,0|1,0,1]=4 260 B14R2.24 Oc1cccnc1c2ccccc2 d7f236f08cc80e82988697768fb96e94 [0,0,1,1,0,0|2,0,0]=4 261 B14R2.24 Oc1ccnnc1c2ccccc2 4717410c7172a22bfa166311646164eb [0,0,1,1,0,0|1,0,1]=4 262 B14R2.24 S=c1cc[nH]cc1c2ccccc2 d1a252a4ac1057b87cb7913b26c3794d [0,0,1,1,0,0|0,1,1]=4