0 B23R3.143561 CN1CCC1CNc2cccc(c2)COc3ccccc3 5bf9e6e29bd82e811279a298b1876be8 [0,0,0,0,0,0|4,0,0]=4 1 B23R3.143561 CN1CCC1CNc2cccc(c2)OCc3ccccc3 c0508e75a94e0fdfc01132239c0532b3 [0,0,0,0,0,0|4,0,0]=4 2 B23R3.143561 CN1CCC1CNc2cccc(c2)SCc3ccccc3 cc56c459870d2e2ff2263677a72d0001 [0,0,0,0,0,0|4,0,0]=4 3 B23R3.143561 CN1CCC1CNc2ccnc(c2)OCc3ccncc3 3485bac46a12a4523201f1278bb38e43 [0,0,0,0,0,0|4,0,0]=4 4 B23R3.143561 CN1CCC1CNc2cncc(n2)OCc3ccccc3 e63dedc8f3063b46f44c43736140de49 [0,0,0,0,0,0|4,0,0]=4 5 B22R3.3018153 c1cc(cc(c1)NCC2CCC2)CCc3ccncc3 39b9d89101b2e74f694553792bc376f7 [1,0,0,0,0,0|3,0,0]=4 6 B22R3.3018153 c1cc(cc(c1)NCC2CCO2)CCc3ccncc3 c892ed20443019c7350a12d9ea400b68 [1,0,0,0,0,0|3,0,0]=4 7 B22R3.3018153 c1cc(cc(c1)NC[C@@H]2CCO2)CCc3ccncc3 7823c0dc758683d8bcd02cc48281a124 [1,0,0,0,0,0|3,0,0]=4 8 B22R3.3018153 c1cc(cc(c1)NC[C@H]2CCO2)CCc3ccncc3 cc1f9aef7571a74c1d08fb10a441035f [1,0,0,0,0,0|3,0,0]=4 9 B22R3.3018153 c1cc(cc(c1)OCC2CCC2)NCc3ccncc3 42cde8e09a449c20c50d0facb48307c1 [1,0,0,0,0,0|3,0,0]=4 10 B22R3.3018153 c1ccc(cc1)CCc2cccc(c2)OCC3CCC3 19208ed778c2cd0906879dbae41a5fcc [1,0,0,0,0,0|3,0,0]=4 11 B22R3.3018153 c1ccc(cc1)CCc2cccc(c2)OCC3CCO3 460ce6dd13be4913d851b6f6d164484e [1,0,0,0,0,0|3,0,0]=4 12 B22R3.3018153 c1ccc(cc1)CCc2cccc(c2)OC[C@@H]3CCO3 a44e48fe07ae299384dd537338f15014 [1,0,0,0,0,0|3,0,0]=4 13 B22R3.3018153 c1ccc(cc1)CCc2cccc(c2)OC[C@H]3CCO3 9a91c12df1f438bae81a29ea5ff49045 [1,0,0,0,0,0|3,0,0]=4 14 B22R3.3018153 c1ccc(cc1)COc2cncc(c2)OCC3CCC3 112e63f96861bf15b2b589c6067df9c1 [1,0,0,0,0,0|3,0,0]=4 15 B22R3.3018153 c1ccc(cc1)COc2cncc(c2)OCC3CCO3 26a7a485327f91e3f4dfbfeb77826d1c [1,0,0,0,0,0|3,0,0]=4 16 B22R3.3018153 c1ccc(cc1)COc2cncc(c2)OC[C@@H]3CCO3 158907812f225ad82cb3e6de91e865f5 [1,0,0,0,0,0|3,0,0]=4 17 B22R3.3018153 c1ccc(cc1)COc2cncc(c2)OC[C@H]3CCO3 9bb59f344ac1eaf8238e5aeb6a99f88d [1,0,0,0,0,0|3,0,0]=4 18 B24R3.259257 CN1CCC1C(=O)Nc2cccc(c2)CCc3ccncc3 072426bc32d6c109faf597f494adb206 [0,1,0,0,0,0|2,0,1]=4 19 B24R3.259257 CN1CC[C@@H]1C(=O)Nc2cccc(c2)CCc3ccncc3 ded20fda75183dcec0a24771acf86cb6 [0,1,0,0,0,0|2,0,1]=4 20 B24R3.259257 CN1CC[C@H]1C(=O)Nc2cccc(c2)CCc3ccncc3 bfe6810478419240cc126fcf0eafca8c [0,1,0,0,0,0|2,0,1]=4 21 B22R2.338962 CCC(CC)CNc1cccc(c1)CCc2ccncc2 364cba9dc4c23930ca9172bd7ce83bbb [0,0,1,0,0,0|3,0,0]=4 22 B22R2.338962 CCC(CC)COc1cccc(c1)CCc2ccccc2 1cb6db7ed172051cd3d48bfc0261a6ce [0,0,1,0,0,0|3,0,0]=4 23 B22R2.338962 CCC(CC)COc1cncc(c1)OCc2ccccc2 452bee75472fb6e85dec172ff7fce1b0 [0,0,1,0,0,0|3,0,0]=4 24 B22R2.359845 CC(C)C(C)CNc1cccc(c1)CCc2ccncc2 e52dd866da05ae9766afa916f2890487 [0,0,1,0,0,0|3,0,0]=4 25 B22R2.359845 CC(C)C(C)COc1cccc(c1)CCc2ccccc2 cd953e14c9d8e8c4429de3d3e6efca56 [0,0,1,0,0,0|3,0,0]=4 26 B22R2.359845 CC(C)C(C)COc1cncc(c1)OCc2ccccc2 6d075ba0404ef672f6cd1cafa0ea3c83 [0,0,1,0,0,0|3,0,0]=4 27 B22R2.359845 CC(CNc1cncc(c1)OCc2ccccc2)N(C)C 69b6b524985735bbdfcd981678a4cb06 [0,0,1,0,0,0|3,0,0]=4 28 B22R2.549289 CCC(C)CCNc1cccc(c1)CCc2ccncc2 7addd9ad19afb2253e05b85a70ad6ce2 [0,0,1,0,0,0|3,0,0]=4 29 B22R2.549289 CCC(C)CCOc1cccc(c1)CCc2ccccc2 0122124ec845085e654c4a6fd24de32c [0,0,1,0,0,0|3,0,0]=4 30 B22R2.549289 CCC(C)CCOc1cncc(c1)OCc2ccccc2 86d16cc164c224a1b82efc3ac10c6a4d [0,0,1,0,0,0|3,0,0]=4 31 B22R2.572943 CCCCCCNc1cccc(c1)CCc2ccncc2 a95025e0292c60a577497a49b5ea0a16 [0,0,1,0,0,0|3,0,0]=4 32 B22R2.572943 CCCCCCOc1cccc(c1)CCc2ccccc2 bcc8b36ec5b8dbad5f0e1cbc815583f8 [0,0,1,0,0,0|3,0,0]=4 33 B22R2.572943 CCCCCCOc1cccc(c1)NCc2ccncc2 959856f6c319ddc0ccebbe853f3c3898 [0,0,1,0,0,0|3,0,0]=4 34 B22R2.572943 CCCCCCOc1cncc(c1)OCc2ccccc2 25a44ed41eb3bf3327f99782732d4fa3 [0,0,1,0,0,0|3,0,0]=4 35 B22R2.572943 COCCCCNc1cccc(c1)CCc2ccncc2 5abe0be034e5b3d694d8e0c889d76792 [0,0,1,0,0,0|3,0,0]=4 36 B22R2.572943 COCCCCOc1cccc(c1)CCc2ccccc2 154385c09c417ebacfdfb01722d43823 [0,0,1,0,0,0|3,0,0]=4 37 B22R2.572943 COCCCCOc1cncc(c1)OCc2ccccc2 bec1fe96eaf9ab81ddb7ac4cf70570f6 [0,0,1,0,0,0|3,0,0]=4 38 B22R3.11804 CN1CCC1CNc2cccc(c2)Cc3ccccc3 84af5f862960b83485f4ed94c3a54407 [0,0,0,0,1,0|3,0,0]=4 39 B22R3.11804 CN1CCC1CNc2cccc(c2)Oc3ccncc3 2ca6bd298a8aa614604a79fd72f28d64 [0,0,0,0,1,0|3,0,0]=4 40 B24R3.255137 CN1CCC1COCc2cccc(c2)OCc3ccccc3 77e4866396f756eb1eff50567f5d1338 [0,0,0,0,0,1|3,0,0]=4 41 B24R3.255137 CN1CC[C@@H]1COCc2cccc(c2)OCc3ccccc3 2653e454bd2bd017f5c838be2dc8900d [0,0,0,0,0,1|3,0,0]=4 42 B24R3.255137 CN1CC[C@H]1COCc2cccc(c2)OCc3ccccc3 5bfd631dd020f0fe53de2f9c195e1255 [0,0,0,0,0,1|3,0,0]=4 43 B24R3.2363636 CN1CCC(C1)CNc2cccc(c2)CCc3ccncc3 8a3e851b27fb762dc6305fc31f943d50 [0,0,0,0,0,1|2,0,0]=3 44 B24R3.2363636 CN1CCC(C1)CNc2cncc(c2)OCc3ccccc3 352d238bbe0cd5626c1c3b079545998d [0,0,0,0,0,1|3,0,0]=4 45 B24R3.2363636 CN1CCC(C1)COc2cccc(c2)CCc3ccccc3 d69e5c8aaee177badbe7a0a8939ed3e2 [0,0,0,0,0,1|2,0,0]=3 46 B24R3.2363636 CN1CCC(C1)COc2cccc(c2)OCc3ccccc3 bd099d1537c4ebdde08b2162dab2b96e [0,0,0,0,0,1|3,0,0]=4 47 B24R3.2363636 CN1CC[C@@H](C1)CNc2cncc(c2)OCc3ccccc3 0d23c2ed3e46594318cc195ab17f7cde [0,0,0,0,0,1|3,0,0]=4 48 B24R3.2363636 CN1CC[C@H](C1)CNc2cncc(c2)OCc3ccccc3 6d4ccc2b56f95b6d0eca5f255efe0ac0 [0,0,0,0,0,1|3,0,0]=4 49 B24R3.2410204 CN1CCC1CNc2cccc(c2)COCc3ccccc3 c3c17299fdd59d8c8baded79e30c31f1 [0,0,0,0,0,1|3,0,0]=4 50 B24R3.2646280 CC1COCC1CNc2cccc(c2)CCc3ccncc3 852fa3745316c557e505ae54a8c07e86 [0,0,0,0,0,1|3,0,0]=4 51 B24R3.2646280 CC1COCC1COc2cccc(c2)CCc3ccccc3 2139c5b2cacd621243be20883c12b7c5 [0,0,0,0,0,1|3,0,0]=4 52 B24R3.2646280 CC1COCC1COc2cncc(c2)OCc3ccccc3 8f2616412da5b3a870a5428ab0fc1a6d [0,0,0,0,0,1|3,0,0]=4 53 B24R3.2646280 CN1CCCC1CNc2cncc(c2)OCc3ccccc3 43b0aa7daf523649b22a1c47b61cc358 [0,0,0,0,0,1|3,0,0]=4 54 B24R3.2646280 CN1CCCC1CNc2cncc(c2)SCc3ccccc3 26bf88253281b485848b5ef17d8194c4 [0,0,0,0,0,1|3,0,0]=4 55 B24R3.2646280 CN1CCC[C@@H]1CNc2cncc(c2)OCc3ccccc3 5a0d782e5b1a31d59defc980af240d7e [0,0,0,0,0,1|3,0,0]=4 56 B24R3.2646280 CN1CCC[C@@H]1CNc2cncc(c2)SCc3ccccc3 c2d7f9200cb0df8f09e179b89c1c247b [0,0,0,0,0,1|3,0,0]=4 57 B24R3.2646280 CN1CCC[C@H]1CNc2cncc(c2)OCc3ccccc3 b3f3d8d56a664e14c1804c1673e3287f [0,0,0,0,0,1|3,0,0]=4 58 B24R3.2646280 CN1CCC[C@H]1CNc2cncc(c2)SCc3ccccc3 f3eb78b72e86e96113abcf21aa6378dd [0,0,0,0,0,1|3,0,0]=4 59 B21R2.22822 CCC(C)CNc1cccc(c1)CCc2ccncc2 03a007c050bda4b469a06fcabd2d4373 [1,0,1,0,0,0|2,0,0]=4 60 B21R2.22822 CCC(C)COc1cccc(c1)CCc2ccccc2 d864628a154257f54971e81060d85221 [1,0,1,0,0,0|2,0,0]=4 61 B21R2.22822 CCC(C)COc1cncc(c1)OCc2ccccc2 06771aa2afe5bac112d059603d6fc13b [1,0,1,0,0,0|2,0,0]=4 62 B21R2.22822 CC[C@@H](C)CNc1cccc(c1)CCc2ccncc2 e4cabe23ce258211d116ff2f1df4e5d7 [1,0,1,0,0,0|2,0,0]=4 63 B21R2.22822 CC[C@@H](C)COc1cccc(c1)CCc2ccccc2 e309a4acc07cc4dec646d74c4b749a08 [1,0,1,0,0,0|2,0,0]=4 64 B21R2.22822 CC[C@@H](C)COc1cncc(c1)OCc2ccccc2 4c7541bcc4e1731dfb1b64ba5933f7bf [1,0,1,0,0,0|2,0,0]=4 65 B21R2.22822 CC[C@H](C)CNc1cccc(c1)CCc2ccncc2 db761a0f590da9e3b1b45d90076cce88 [1,0,1,0,0,0|2,0,0]=4 66 B21R2.22822 CC[C@H](C)COc1cccc(c1)CCc2ccccc2 61f774db5a6a7362f78ae4501476e38e [1,0,1,0,0,0|2,0,0]=4 67 B21R2.22822 CC[C@H](C)COc1cncc(c1)OCc2ccccc2 4e344d31202382c81c0604db78088dd9 [1,0,1,0,0,0|2,0,0]=4 68 B21R2.255485 CN(C)CCNc1cccc(c1)CCc2ccncc2 aab8f9d22286ec7d5d7007499730d1f3 [1,0,1,0,0,0|2,0,0]=4 69 B21R2.255485 CN(C)CCOc1cccc(c1)CCc2ccccc2 0d6b909ce049c7203b9f3e51d91d8109 [1,0,1,0,0,0|2,0,0]=4 70 B21R2.255485 CN(C)CCOc1cccc(c1)NCc2ccncc2 239880cc66b64477d1dc06dd38c7cdf0 [1,0,1,0,0,0|2,0,0]=4 71 B21R2.255485 CN(C)CCOc1cncc(c1)OCc2ccccc2 836d2b11968923d92e6b4ff7e00d6dca [1,0,1,0,0,0|2,0,0]=4 72 B21R2.255485 CN(C)CCOc1cncc(n1)NCc2ccncc2 1c15478aefca759560b533f4f96c314e [1,0,1,0,0,0|2,0,0]=4 73 B21R2.7481 CCCCCNc1cccc(c1)CCc2ccncc2 8ddba6e83bb7a83735eab3551d154c15 [1,0,1,0,0,0|2,0,0]=4 74 B21R2.7481 CCCCCOc1cccc(c1)CCc2ccccc2 4101594615d8bf331d4607e2ae46f1e4 [1,0,1,0,0,0|2,0,0]=4 75 B21R2.7481 CCCCCOc1cncc(c1)OCc2ccccc2 150a735fc38d0f768637cdbe1096cef8 [1,0,1,0,0,0|2,0,0]=4 76 B23R2.458156 CCN(CC)CCOc1cccc(c1)NCc2ccncc2 d6836bb5e1a70e19f9a281a784d6ed90 [0,1,1,0,0,0|2,0,0]=4 77 B23R2.472228 CN(C)CCCCNc1cccc(c1)CCc2ccncc2 5f5ea6eb93b512b49dd3caf0888697e6 [0,1,1,0,0,0|2,0,0]=4 78 B23R2.472228 CN(C)CCCCOc1cccc(c1)CCc2ccccc2 da2ec3d4659911e324232b39aeddb3f1 [0,1,1,0,0,0|2,0,0]=4 79 B23R2.472228 CN(C)CCCCOc1cncc(c1)OCc2ccccc2 d6037332f34955b08a5ef7ba887860d3 [0,1,1,0,0,0|2,0,0]=4 80 B23R2.939608 COCCOCCOc1cncc(c1)NCc2ccncc2 69f5a99fff921175a66fe60f35e27c24 [0,1,1,0,0,0|2,0,0]=4 81 B25R3.2141069 CCN1CCC(C1)CNc2cccc(c2)CCc3ccncc3 22e453f85c1a5cbb50c4d6530e3428a1 [0,1,0,0,0,1|2,0,0]=4 82 B25R3.2141069 CCN1CCC(C1)COc2cccc(c2)CCc3ccccc3 2940393d21db4518ae3483530723617b [0,1,0,0,0,1|2,0,0]=4 83 B25R3.2141069 CCN1CCC(C1)COc2cncc(c2)OCc3ccccc3 c18090d29453a0e23607cf75b9c3db2b [0,1,0,0,0,1|2,0,0]=4 84 B25R3.2523753 CN1CCC(C1)COc2cnc(c(c2)OCc3ccccc3)F e3dfd21a541e5469fd3e966340278369 [0,1,0,0,0,1|2,0,0]=4 85 B25R3.13901497 CN1CCC(C1=O)CNc2cccc(c2)CCc3ccncc3 0485c10792a6b69ba87cb91d39499771 [0,1,0,0,0,1|2,0,0]=4 86 B25R3.13901497 CN1CCC(C1=O)COc2cccc(c2)CCc3ccccc3 667055e14e16c186ad60f70e69261b2a [0,1,0,0,0,1|2,0,0]=4 87 B25R3.13901497 CN1CCC(C1=O)COc2cncc(c2)OCc3ccccc3 3bef0b475a10cc4cd49a97950802c877 [0,1,0,0,0,1|2,0,0]=4 88 B23R3.111040 CN1CCC(C1)Nc2cccc(c2)CCc3ccncc3 d5954cedc2bddf7f65ce9ca85c09a0db [0,0,1,1,0,0|2,0,0]=4 89 B23R3.111040 CN1CCC(C1)Oc2cccc(c2)CCc3ccccc3 429b6d156dd1b942d50fa6cbd33ffe47 [0,0,1,1,0,0|2,0,0]=4 90 B23R3.111040 CN1CC[C@@H](C1)Nc2cccc(c2)CCc3ccncc3 83d9f466524cb3629475fe5f698fac39 [0,0,1,1,0,0|2,0,0]=4 91 B23R3.111040 CN1CC[C@@H](C1)Oc2cccc(c2)CCc3ccccc3 4ae11e240733fd8edd3dd4d11efa76d6 [0,0,1,1,0,0|2,0,0]=4 92 B23R3.111040 CN1CC[C@H](C1)Nc2cccc(c2)CCc3ccncc3 d010681d36c80e34f5e7a80318db9eb0 [0,0,1,1,0,0|2,0,0]=4 93 B23R3.111040 CN1CC[C@H](C1)Oc2cccc(c2)CCc3ccccc3 7d9ee0a43a2c2280c474af4437c0c0db [0,0,1,1,0,0|2,0,0]=4 94 B21R2.13119 CC(CNc1cncc(c1)Cc2ccccc2)N(C)C a04a94265ea7da42efd16b15f73affab [0,0,1,0,1,0|2,0,0]=4 95 B21R3.47770 c1cc(cc(c1)NCC2CC2)CCc3ccncc3 642162b20852188553808ed552dda312 [1,0,0,0,1,0|2,0,0]=4 96 B21R3.47770 c1cc(cc(c1)OCC2CC2)CNc3ccncc3 29afefdbacd31247523516e1238e5b5c [1,0,0,0,1,0|2,0,0]=4 97 B21R3.47770 c1cc(cc(c1)OCC2CC2)NCc3ccncc3 1774d1d8071879a2fbde8a2b9269bb51 [1,0,0,0,1,0|2,0,0]=4 98 B21R3.47770 c1cc(ccn1)CNc2cncc(c2)OCC3CC3 23ffb72de11e07c4a51a26105953d35a [1,0,0,0,1,0|1,0,0]=3 99 B21R3.47770 c1cc(cnn1)CNc2cncc(c2)OCC3CC3 0fe43df7b35acc1cb20c8c67c37cfe29 [1,0,0,0,1,0|2,0,0]=4 100 B21R3.47770 c1cc(ncn1)CNc2cncc(c2)OCC3CC3 24098425c293e4daef1eed447a2211e8 [1,0,0,0,1,0|2,0,0]=4 101 B21R3.47770 c1ccc(cc1)CCc2cccc(c2)OCC3CC3 bdd458668261ff443a41d38de49e97db [1,0,0,0,1,0|2,0,0]=4 102 B21R3.47770 c1ccc(cc1)CNc2cncc(c2)OCC3CC3 bbfcce1e8a83b70e08ae588733495dda [1,0,0,0,1,0|2,0,0]=4 103 B21R3.47770 c1ccc(cc1)COc2cncc(c2)OCC3CC3 514e5421bb41eb292ba1acd9aa495264 [1,0,0,0,1,0|2,0,0]=4 104 B21R3.8063 CN1CCC1CNc2cnn(c2)Cc3ccncc3 4ce51b7d5386dfa967b616c8610bb314 [0,0,0,0,2,0|2,0,0]=4 105 B23R2.815775 CC(CNc1cccc(c1)CCc2ccncc2)CN(C)C f26450c7dfdc00010bbc16e1caf86712 [0,0,1,0,0,1|2,0,0]=4 106 B23R2.815775 CC(COc1cccc(c1)CCc2ccccc2)CN(C)C 556c3665a4c4d1a44dd19d29a80e4ad3 [0,0,1,0,0,1|2,0,0]=4 107 B23R2.815775 CC(COc1cncc(c1)OCc2ccccc2)CN(C)C 5ce6a80f90612d77306b7e9c8e4188d9 [0,0,1,0,0,1|2,0,0]=4 108 B23R2.795303 CCCCCCOc1cccc(c1)NCCc2ccncc2 e5d2a877ede81309a1e2e853e810d709 [0,0,1,0,0,1|2,0,0]=4 109 B23R2.795303 CCCCCCOc1cccc(c1)OCCc2ccncc2 359609f21bcb098f969e6edc9c1090f4 [0,0,1,0,0,1|2,0,0]=4 110 B23R3.3868892 c1cc(cc(c1)OCC2CCC2)NCCc3ccncc3 1b119fb02c2a92aa975a9f0ca2a87d2d [1,0,0,0,0,1|2,0,0]=4 111 B23R3.14882 CN1CCC(C1)COc2cccc(c2)Cc3ccccc3 33a90d06d994a71199d5217d0b6453ed [0,0,0,0,1,1|2,0,0]=4 112 B23R3.14882 CN1CCC(C1)COc2cncc(c2)Oc3ccccc3 2b2aa814d197afe6699a1ca9f8eed063 [0,0,0,0,1,1|2,0,0]=4 113 B23R3.26663 CN1CCC1CNc2ccc(nc2)OCc3ccncc3 28810ff2c1e4bef069f9a4f1f5681960 [0,0,0,0,1,1|2,0,0]=4 114 B23R3.111970 CN1CCC(C1)CNc2cnn(c2)CCc3ccncc3 009a0f327e9d4ebc21f8900804c498f8 [0,0,0,0,1,1|2,0,0]=4 115 B25R3.2523143 CN1CCC(C1)COCc2cccc(c2)CSc3ccncc3 28f12f3a95e8aaa822c82cd8182fbcd2 [0,0,0,0,0,2|2,0,0]=4 116 B25R3.2643606 CN1CCCC1CCNc2cccc(c2)CCc3ccncc3 520431571e95820b27b0442691cb7b71 [0,0,0,0,0,2|2,0,0]=4 117 B25R3.2643606 CN1CCCC1CCOc2cccc(c2)CCc3ccccc3 a864b4a3a2c92260ac02fba0f02bdf40 [0,0,0,0,0,2|2,0,0]=4 118 B25R3.2643606 CN1CCCC1CCOc2cncc(c2)OCc3ccccc3 83024238b52f97edb709b3c4a79d5fa6 [0,0,0,0,0,2|2,0,0]=4 119 B25R3.2961345 CN1CCCCC1CNc2cccc(c2)CCc3ccncc3 7ee9e29874b4fab1a2ccc0b65dc15999 [0,0,0,0,0,2|2,0,0]=4 120 B25R3.2961345 CN1CCCCC1COc2cccc(c2)CCc3ccccc3 9efe75bbc0f98d525bfd676635040a66 [0,0,0,0,0,2|2,0,0]=4