0 B12R1.118 CCC(C=O)Nc1ccccc1 8973b461ada5e90cb6534721bdd5a0a6 [0,0,0,0,0,0|4,0,0]=4 1 B12R1.118 CCC(CC)Nc1ccccc1 62a5bbda4663c06f44e205dbfccb7cfa [0,0,0,0,0,0|3,0,0]=3 2 B12R1.118 CCC(CC)Nc1ccccn1 f49e7f296a5962a94c0c5ee1a9955043 [0,0,0,0,0,0|4,0,0]=4 3 B12R1.118 CCC(CC)Nc1cccnc1 9d074fe2d03393afaa8a1f416d06c27c [0,0,0,0,0,0|4,0,0]=4 4 B12R1.118 CCC(CC)Nc1ccncc1 e92afb62d5152fa888d91281ef827321 [0,0,0,0,0,0|4,0,0]=4 5 B12R1.118 CCC(CC)Oc1ccccn1 f5c416138eaed35a265a3babf42f340b [0,0,0,0,0,0|4,0,0]=4 6 B12R1.118 CCC(CC)Oc1cccnc1 8b905fcc9a0926c38970cda9cd15fb7e [0,0,0,0,0,0|4,0,0]=4 7 B12R1.118 CCC(CC)Oc1ccncc1 8468a86458c76ca321270d5385e3c580 [0,0,0,0,0,0|4,0,0]=4 8 B12R1.118 CCC(CO)Nc1ccccc1 4bbd0090e2c789b85e6c79fc920a972e [0,0,0,0,0,0|4,0,0]=4 9 B12R1.118 CCN(C=O)Cc1ccccc1 05bd4b36907bafd365c275012bc499e0 [0,0,0,0,0,0|4,0,0]=4 10 B12R1.118 CCN(CC)Cc1ccccn1 428ad89117114047b9bb0857c0f58549 [0,0,0,0,0,0|4,0,0]=4 11 B12R1.118 CCN(CC)Cc1cccnc1 90a23f01616d7157e3135322314e5d8d [0,0,0,0,0,0|4,0,0]=4 12 B12R1.118 CCN(CC)Cc1ccncc1 6b357d11d74c4702cae800e3435931da [0,0,0,0,0,0|4,0,0]=4 13 B12R1.118 CC[C@@H](CO)Nc1ccccc1 4e6d1044dff6b69bba19855888009bcf [0,0,0,0,0,0|4,0,0]=4 14 B12R1.118 CC[C@H](CO)Nc1ccccc1 6e84965dfbcccf2d9d399d53a4428cff [0,0,0,0,0,0|4,0,0]=4 15 B12R1.118 COC(CN1CC=CCC1)OC 55a9f176ad7f844f70e32a0f7a164310 [0,0,0,0,0,0|1,0,3]=4 16 B11R1.40 C=CC(C)Nc1ccccc1 11c4f91eafeb8b3d7c22c97a0ea92d57 [1,0,0,0,0,0|2,0,1]=4 17 B11R1.40 CC(C=O)Nc1ccccc1 0d04ec44ee6fe8b8d4f3d71cd15333ba [1,0,0,0,0,0|3,0,0]=4 18 B11R1.40 CC(CO)Nc1ccccc1 28944821b2a2502f940043c73e5bee97 [1,0,0,0,0,0|3,0,0]=4 19 B11R1.40 CCC(C)Nc1ccccc1 0d73dedeab1dd8f5149c3124f0b802dc [1,0,0,0,0,0|2,0,0]=3 20 B11R1.40 CCC(C)Nc1ccccn1 bb895d27f1d9ed94ab4cd5f93b01f0bd [1,0,0,0,0,0|3,0,0]=4 21 B11R1.40 CCC(C)Nc1cccnc1 a0e745f4d44915557790daf72381f523 [1,0,0,0,0,0|3,0,0]=4 22 B11R1.40 CCC(C)Nc1ccncc1 8150e11adca204128a3ae62428597250 [1,0,0,0,0,0|3,0,0]=4 23 B11R1.40 CCC(C)Oc1ccccn1 b8b4a806c6af90298cf0d1454fda0647 [1,0,0,0,0,0|3,0,0]=4 24 B11R1.40 CCC(C)Oc1cccnc1 ea8ea3a935f9f1da0dc64162c872e010 [1,0,0,0,0,0|3,0,0]=4 25 B11R1.40 CCC(C)Oc1ccncc1 0e7c13edf9ed6b6addf466a3a8481e15 [1,0,0,0,0,0|3,0,0]=4 26 B11R1.40 CCN(C)Cc1ccccc1 c214a7b7c23665abe56278baaf98348b [1,0,0,0,0,0|2,0,0]=3 27 B11R1.40 CCN(C)Cc1ccccn1 e347cf6623c9ce49a1c94570b5d3844c [1,0,0,0,0,0|3,0,0]=4 28 B11R1.40 CCN(C)Cc1cccnc1 69e9bc72fe902e2c097b1bc797c43254 [1,0,0,0,0,0|3,0,0]=4 29 B11R1.40 CCN(C)Cc1ccncc1 ebfb44d53a95f23536771c3c1b41adfd [1,0,0,0,0,0|3,0,0]=4 30 B11R1.40 CC[C@@H](C)Nc1ccccc1 405a065880ecff40d5c3aba49f23a60f [1,0,0,0,0,0|2,0,0]=3 31 B11R1.40 CC[C@@H](C)Nc1cccnc1 d5c354fec9aa4824593a6aa370b31f97 [1,0,0,0,0,0|3,0,0]=4 32 B11R1.40 CC[C@H](C)Nc1ccccc1 bdf0fca4eb541010d4b75cf2b0618571 [1,0,0,0,0,0|2,0,0]=3 33 B11R1.40 CC[C@H](C)Nc1cccnc1 a188aeb369243191dc243d4fb98ce075 [1,0,0,0,0,0|3,0,0]=4 34 B11R1.40 CN(C=O)Cc1ccccc1 701ed8237afa851586621908f176512f [1,0,0,0,0,0|3,0,0]=4 35 B11R1.40 CN(CF)Cc1ccccc1 5e57d186c6f316353ffa6c809cb61d75 [1,0,0,0,0,0|3,0,0]=4 36 B11R1.40 CN(CO)Cc1ccccc1 c1d08d2d2c7de731954ebcb428d333e2 [1,0,0,0,0,0|3,0,0]=4 37 B11R1.40 C[C@@H](CO)Nc1ccccc1 d1a979ebd31c8c47073ae387eaa9c5f8 [1,0,0,0,0,0|3,0,0]=4 38 B11R1.40 C[C@H](C=O)Nc1ccccc1 10a4433daba67da13987d6e7cd5b7f0f [1,0,0,0,0,0|3,0,0]=4 39 B11R1.40 C[C@H](CO)Nc1ccccc1 b7592eed2c2b10dda06f47547223c567 [1,0,0,0,0,0|3,0,0]=4 40 B13R1.79 C#CC(Cc1ccccc1)OCC baba28c2f1d3738679598657e5199de8 [0,1,0,0,0,0|1,0,1]=3 41 B13R1.79 C#CC(Cc1ccccc1)OCF 83618cf400d6d1918c2674a6252e01f7 [0,1,0,0,0,0|1,0,1]=3 42 B13R1.79 CCC(COC)Nc1ccccc1 fedcef488a756e2094f327de2eb2c4d2 [0,1,0,0,0,0|2,0,0]=3 43 B13R1.79 CCC(COC)Nc1cccnc1 d50feea7689eb29c35d93310e356e1ef [0,1,0,0,0,0|3,0,0]=4 44 B13R1.79 CCC(Cc1ccccc1)NC=O 1f34d3c55786ec32c0ec34664690437c [0,1,0,0,0,0|2,0,1]=4 45 B13R1.79 CCC(Cc1ccccc1)NCF b5d416648bbbb99acecac78408d06685 [0,1,0,0,0,0|2,0,0]=3 46 B13R1.79 CCC(Cc1ccccc1)NCO 4622a1ddba6a358c3ffd67908655d75c [0,1,0,0,0,0|2,0,0]=3 47 B13R1.79 CCC(Cc1ccccc1)OCF 00c99e7ba34e94b94f177f568be8e312 [0,1,0,0,0,0|1,0,0]=2 48 B13R1.79 CCC(Cc1ccccn1)OCF 6dbda7b3f76a20774c8d0ac7f636f023 [0,1,0,0,0,0|2,0,0]=3 49 B13R1.79 CCCC(CC)Nc1ccccc1 6e61d1760ae1faff4fa5b3b1f6312d06 [0,1,0,0,0,0|3,0,0]=4 50 B13R1.79 CCCN(CC)Cc1ccccc1 e11a6c3680184c63309529a3f100619e [0,1,0,0,0,0|3,0,0]=4 51 B13R1.79 CCN(CCCl)Cc1ccccc1 ae83efcc2c0873cd68f9661bc0310425 [0,1,0,0,0,0|3,0,0]=4 52 B13R1.79 CCN(CCO)Cc1ccccc1 9dcd4bed5145169bb7ed54db4001ab00 [0,1,0,0,0,0|3,0,0]=4 53 B13R1.79 CCN(COC)Cc1ccccn1 6dbdc23feb50fe91f07bbd18f4d26269 [0,1,0,0,0,0|3,0,0]=4 54 B13R1.79 CCN(COC)Cc1cccnc1 566e1c39583c114e8c0ce94a7bbe50d1 [0,1,0,0,0,0|3,0,0]=4 55 B13R1.79 CCN(COC)Cc1ccncc1 c93fc0ca96edbb494612207101c690b7 [0,1,0,0,0,0|3,0,0]=4 56 B13R1.79 CCNC(C#N)Cc1ccccc1 ca21ad0ecb8ed1e689acacd2dd9f2610 [0,1,0,0,0,0|3,0,0]=4 57 B13R1.79 CCNC(CC)Cc1ccccc1 002ed484243067e94ed6831a206c686f [0,1,0,0,0,0|2,0,0]=3 58 B13R1.79 CCNC(CO)Cc1ccccc1 c9fb0151efc827a0052c56dadab1697d [0,1,0,0,0,0|3,0,0]=4 59 B13R1.79 CCN[C@@H](CO)Cc1ccccc1 0a9e3f6adb9d62304a80b4ce73c89527 [0,1,0,0,0,0|3,0,0]=4 60 B13R1.79 CCN[C@H](CO)Cc1ccccc1 e5a9201f97f671ef08669be1448b8caf [0,1,0,0,0,0|3,0,0]=4 61 B13R1.79 CCOC(CC)Cc1ccccc1 5414cfbea073f7356f1655cdb43b6ed6 [0,1,0,0,0,0|1,0,0]=2 62 B13R1.79 CCOC(CC)Cc1ccccn1 c0d13ef534a0f1edceceb8e56de3eb7b [0,1,0,0,0,0|2,0,0]=3 63 B13R1.79 COCC(CO)Nc1ccccc1 89220f0531b81b9937439ac80a3bdde3 [0,1,0,0,0,0|3,0,0]=4 64 B13R1.79 N#CC(Cc1ccccc1)NCF b1ec3ed6b41f591d5a5469a20a4d0072 [0,1,0,0,0,0|3,0,0]=4 65 B13R1.79 N#CC(Cc1ccccc1)NCO a42df6ed61fd59f5a7560f60851c6b8e [0,1,0,0,0,0|3,0,0]=4 66 B13R1.79 OCC(Cc1ccccc1)NCF 7c93794960e4f63659e7eacf70497283 [0,1,0,0,0,0|3,0,0]=4 67 B13R1.79 OCNC(CO)Cc1ccccc1 9f3293c19e4e41fbfbb76356ed39be65 [0,1,0,0,0,0|3,0,0]=4 68 B13R1.79 OCN[C@@H](CO)Cc1ccccc1 5171c866e107a358725a9e1c02bf445f [0,1,0,0,0,0|3,0,0]=4 69 B13R1.79 OCN[C@H](CO)Cc1ccccc1 ea4da1a3dc1990d3d9375cce3d7b2817 [0,1,0,0,0,0|3,0,0]=4 70 B13R1.79 OC[C@@H](Cc1ccccc1)NCF 427f91c76616b8f0e7a36c287f13c17e [0,1,0,0,0,0|3,0,0]=4 71 B13R1.79 OC[C@H](Cc1ccccc1)NCF eb5d67988df9fc990817ef9886a7d223 [0,1,0,0,0,0|3,0,0]=4 72 B13R1.86 CCC(CC)N(C)c1ccccc1 dae449e33937ee3442342037e2fa8253 [0,1,0,0,0,0|3,0,0]=4 73 B13R1.145 CCC(CC)Nc1ccc(cc1)Br 584ef01218a1306d0fc6c365572d74c2 [0,1,0,0,0,0|3,0,0]=4 74 B13R1.145 CCC(CC)Nc1ccc(cc1)C 2729ce8c68f28fa7a72bc72a9dc24bb6 [0,1,0,0,0,0|3,0,0]=4 75 B13R1.145 CCC(CC)Nc1ccc(cc1)Cl 04c36f33db641175107fe99f1555c391 [0,1,0,0,0,0|3,0,0]=4 76 B13R1.145 CCC(CC)Nc1ccc(cc1)F f1730c6501eca9af797c7680efb87c27 [0,1,0,0,0,0|3,0,0]=4 77 B13R1.145 CCC(CC)Nc1ccc(cc1)I 3aba31a63977e0b25e662b618f98b7e9 [0,1,0,0,0,0|3,0,0]=4 78 B13R1.145 CCC(CC)Nc1ccc(cc1)S bc3ba7ba33d3314f85c5e96498d32d46 [0,1,0,0,0,0|3,0,0]=4 79 B13R1.145 CCC(CC)Oc1ccc(cc1)Br 383962123cfe4751ca419c228624df88 [0,1,0,0,0,0|3,0,0]=4 80 B13R1.145 CCC(CC)Oc1ccc(cc1)C e626b5045af75588a07745990470ef48 [0,1,0,0,0,0|3,0,0]=4 81 B13R1.145 CCC(CC)Oc1ccc(cc1)Cl ad09fcc29bc86a4a8b99ab28d2e23163 [0,1,0,0,0,0|3,0,0]=4 82 B13R1.145 CCC(CC)Oc1ccc(cc1)F 41f1234877ff8a18676ba9f5fc67af3c [0,1,0,0,0,0|3,0,0]=4 83 B13R1.145 CCC(CC)Oc1ccc(cc1)I 360d863f7dc2b01e1d1a7778f4c1c1f4 [0,1,0,0,0,0|3,0,0]=4 84 B13R1.145 CCC(CC)Oc1ccc(cc1)S 23f8ac9087b35152715279d17a618f6c [0,1,0,0,0,0|3,0,0]=4 85 B13R1.145 CCN(CC)Cc1ccc(cc1)Br bbe5e6ea89f0fd10426e1e3960fb53d1 [0,1,0,0,0,0|3,0,0]=4 86 B13R1.145 CCN(CC)Cc1ccc(cc1)C e3f98921c11bb03b28fd539b54dd48c0 [0,1,0,0,0,0|3,0,0]=4 87 B13R1.145 CCN(CC)Cc1ccc(cc1)Cl 63e388eb3c31185617504e970b3c11d4 [0,1,0,0,0,0|3,0,0]=4 88 B13R1.145 CCN(CC)Cc1ccc(cc1)F 6a85ce29db3dba76c220c8c41d996708 [0,1,0,0,0,0|3,0,0]=4 89 B13R1.146 CCC(CC)Nc1cccc(c1)Br 0c12109bb8c4b7e95ac57a487481c3ec [0,1,0,0,0,0|3,0,0]=4 90 B13R1.146 CCC(CC)Nc1cccc(c1)C 6c28b34358666c89cba27bb07ada799c [0,1,0,0,0,0|3,0,0]=4 91 B13R1.146 CCC(CC)Nc1cccc(c1)Cl 862e6e77bbe6da3d627dabb40477d789 [0,1,0,0,0,0|3,0,0]=4 92 B13R1.146 CCC(CC)Nc1cccc(c1)F c2e7fb1f5f5bb9db7ce1606c9f547914 [0,1,0,0,0,0|3,0,0]=4 93 B13R1.146 CCC(CC)Nc1cccc(c1)I 5b9b7652818391ca64f3f4f438b8dec5 [0,1,0,0,0,0|3,0,0]=4 94 B13R1.146 CCC(CC)Nc1cccc(c1)S 051dbe894a4bef9ee3a2dbad86522db3 [0,1,0,0,0,0|3,0,0]=4 95 B13R1.146 CCC(CC)Oc1cccc(c1)Br f6e4b7e444506b7c0642c77cb17fce58 [0,1,0,0,0,0|3,0,0]=4 96 B13R1.146 CCC(CC)Oc1cccc(c1)C ebdc2e68d0ea506a7f6cddea9e7f12db [0,1,0,0,0,0|3,0,0]=4 97 B13R1.146 CCC(CC)Oc1cccc(c1)Cl 5b0a02f87d02476492f9d6f237825874 [0,1,0,0,0,0|3,0,0]=4 98 B13R1.146 CCC(CC)Oc1cccc(c1)F 570d3a5cd11cebcd1d287c90ca141613 [0,1,0,0,0,0|3,0,0]=4 99 B13R1.146 CCC(CC)Oc1cccc(c1)I d7fd320df47b28cc1ea84797efecb161 [0,1,0,0,0,0|3,0,0]=4 100 B13R1.146 CCC(CC)Oc1cccc(c1)S 00ffdd712466e12b2b455b2317184c5a [0,1,0,0,0,0|3,0,0]=4 101 B13R1.146 CCN(CC)Cc1cccc(c1)F 258fc7435c81acac4deb62014326e383 [0,1,0,0,0,0|3,0,0]=4 102 B13R1.335 CCC(CC)Oc1ccccc1C cfe2d073769b2efec27e193f329f1c99 [0,1,0,0,0,0|3,0,0]=4 103 B13R1.335 CCC(CC)Oc1ccccc1Cl 9208b077ee198a45844c4bed8cecae26 [0,1,0,0,0,0|3,0,0]=4 104 B13R1.335 CCC(CC)Oc1ccccc1F b7ccc5adba6a669879bae26724e063ae [0,1,0,0,0,0|3,0,0]=4 105 B13R1.335 CCC(CC)Oc1ccccc1I 20387b7e79c179ad33e92898173b00fc [0,1,0,0,0,0|3,0,0]=4 106 B13R1.335 CCN(CC)Cc1ccccc1C 93cc9b0e4e78b9eb82facd22f040180d [0,1,0,0,0,0|3,0,0]=4 107 B13R1.335 CCN(CC)Cc1ccccc1F b5cb5c8f45dc30aa74570e7f1efedaef [0,1,0,0,0,0|3,0,0]=4 108 B13R1.418 CCC(Nc1ccccc1)C(C)C a8808ebc56c894f8959c32308259e6bf [0,1,0,0,0,0|3,0,0]=4 109 B13R1.418 CCN(Cc1ccccc1)C(=O)C 2a8906fd87fa5b9da2764b32c6215886 [0,1,0,0,0,0|3,0,0]=4 110 B13R1.418 CCN(Cc1ccccc1)C(C)C b439275473bd06a8958da1a10f449f1f [0,1,0,0,0,0|3,0,0]=4 111 B13R1.418 CC[C@@H](Nc1ccccc1)[C@@H](C)O 624d8b099abf238aa44189d4ae4ade73 [0,1,0,0,0,0|3,0,0]=4 112 B13R1.418 CC[C@@H](Nc1ccccc1)[C@H](C)O 3a226f44fdf073bf50e1ca90a2c33504 [0,1,0,0,0,0|3,0,0]=4 113 B13R1.418 CC[C@H](Nc1ccccc1)[C@@H](C)O 703f4981104daad6436cb566226f9207 [0,1,0,0,0,0|3,0,0]=4 114 B13R1.3080 CCC(C)(CC)Nc1ccccc1 e6f31f88c01ad7aa78c06b7fafc185d9 [0,1,0,0,0,0|3,0,0]=4 115 B11R0.124 COC(COC/C=C/C=O)OC d0cbe65cd3ac80620ae0d01e26af6b4d [0,0,1,0,0,0|2,0,1]=4 116 B13R2.27 C[C@@H]1CC[C@@H]1Nc2ccccc2 684c63eb5cb578cf14151b91d0b0133b [0,0,0,1,0,0|3,0,0]=4 117 B13R2.27 C[C@@H]1CC[C@H]1Nc2ccccc2 a6e394c4737b64f13f3ac1a417405627 [0,0,0,1,0,0|3,0,0]=4 118 B13R2.45 CCN1Cc2ccccc2[C@H]1C 92b2e4a3852f709c0936eac8269cc265 [0,0,0,1,0,0|3,0,0]=4 119 B13R2.56 CCN1CCC1c2ccccc2 fda778d48a622a61b172677bfd132183 [0,0,0,1,0,0|3,0,0]=4 120 B13R2.57 CCN1CCc2ccccc2C1 0fb8fe72984abaf69967df9e6f6e197f [0,0,0,1,0,0|3,0,0]=4 121 B13R2.138 CCN1C(C1c2ccccc2)C 7347c18968ce51387f036d0fe33e59d8 [0,0,0,1,0,0|3,0,0]=4 122 B13R2.138 CCN1[C@@H]([C@@H]1c2ccccc2)C 722e7bc8d7ea97c003f1ca9ceeeec978 [0,0,0,1,0,0|3,0,0]=4 123 B11R1.84 COC(CN1CC=CC1)OC 776e1e3bfbd72ff3f1477354883793c3 [0,0,0,0,1,0|1,0,2]=4 124 B13R1.417 C#CC(CC)OCc1ccccc1 fe34c6cb1fd7685cae88a1aa1b127906 [0,0,0,0,0,1|2,0,1]=4 125 B13R1.417 C=CC(CC)OCc1ccccc1 fe5beb69f4e8eaca615527027702b7a0 [0,0,0,0,0,1|2,0,1]=4 126 B13R1.417 CCC(C#N)OCc1ccccc1 8ae92adfb29fdb17f15d645f3cb4e7b3 [0,0,0,0,0,1|3,0,0]=4 127 B13R1.417 CCC(C=O)NCc1ccccc1 f6845985d015a5d539738c58cc946136 [0,0,0,0,0,1|3,0,0]=4 128 B13R1.417 CCC(C=O)OCc1ccccc1 7e42f954680b0457c90fa3b9a0110dd2 [0,0,0,0,0,1|3,0,0]=4 129 B13R1.417 CCC(CC)CNc1ccccc1 74bcf58314d6623796f9ccdf533641c4 [0,0,0,0,0,1|2,0,0]=3 130 B13R1.417 CCC(CC)CNc1ccccn1 cf426508539a126b6fb633938e94468d [0,0,0,0,0,1|3,0,0]=4 131 B13R1.417 CCC(CC)CNc1cccnc1 5aa8dcc59ed5fbb7c4933cf0907ec305 [0,0,0,0,0,1|3,0,0]=4 132 B13R1.417 CCC(CC)CNc1ccncc1 669c256c68f0b41c9f85bbdebb67cde9 [0,0,0,0,0,1|3,0,0]=4 133 B13R1.417 CCC(CC)COc1ccccn1 b2a840405145c19438a89224af1854f9 [0,0,0,0,0,1|3,0,0]=4 134 B13R1.417 CCC(CC)COc1cccnc1 8698f1e8ead03cd634ab376f2b37797b [0,0,0,0,0,1|3,0,0]=4 135 B13R1.417 CCC(CC)COc1ccncc1 6ec6a27e6320ad860ef4e50d1d31e49a [0,0,0,0,0,1|3,0,0]=4 136 B13R1.417 CCC(CC)NCc1ccccc1 d33e44be019531a76e706befeb4676ba [0,0,0,0,0,1|2,0,0]=3 137 B13R1.417 CCC(CC)NCc1ccccn1 e55ddfe7a23db54cecf818320240a90e [0,0,0,0,0,1|3,0,0]=4 138 B13R1.417 CCC(CC)NCc1cccnc1 113fa31dea252b1010b5d306f39a507d [0,0,0,0,0,1|3,0,0]=4 139 B13R1.417 CCC(CC)NCc1ccncc1 e8ede38e6274367e9283e096928421c2 [0,0,0,0,0,1|3,0,0]=4 140 B13R1.417 CCC(CC)OCc1ccccc1 f6f2f0325d2e972c2d5203c22b72617f [0,0,0,0,0,1|2,0,0]=3 141 B13R1.417 CCC(CC)OCc1ccccn1 7f10439b10e0f80d9554bd05fba53e99 [0,0,0,0,0,1|3,0,0]=4 142 B13R1.417 CCC(CC)OCc1cccnc1 25dbbaa4751778d5857822d48716d506 [0,0,0,0,0,1|3,0,0]=4 143 B13R1.417 CCC(CC)OCc1ccncc1 c8a5a366bc9a7509b28e2ff6edcce4e2 [0,0,0,0,0,1|3,0,0]=4 144 B13R1.417 CCC(CO)CNc1ccccc1 8d3946142dcc7cb6f0ee8416f963ee9b [0,0,0,0,0,1|3,0,0]=4 145 B13R1.417 CCC(CO)NCc1ccccc1 4118611d5798d6436f95bebc393d2001 [0,0,0,0,0,1|3,0,0]=4 146 B13R1.417 CC[C@@H](CO)NCc1ccccc1 e086dd22d9e656a2441c3cffc093f266 [0,0,0,0,0,1|3,0,0]=4 147 B13R1.417 CC[C@H](CO)NCc1ccccc1 43a5086c23ee0a5039b6e92e77253605 [0,0,0,0,0,1|3,0,0]=4 148 B13R1.417 COC(CNc1ccccc1)OC 91b7154c3c67b4dd9ea38a718aacd035 [0,0,0,0,0,1|0,0,0]=1 149 B13R1.417 COC(CNc1ccccn1)OC 5f9249e6661326ac7147fa202df30911 [0,0,0,0,0,1|1,0,0]=2 150 B13R1.417 COC(CNc1cccnc1)OC 0e73c094feedf212b45252e1cb13d3f7 [0,0,0,0,0,1|1,0,0]=2 151 B13R1.417 COC(CNc1cccnn1)OC fdbd79b9eeed498f7a288e46afa69b55 [0,0,0,0,0,1|2,0,0]=3 152 B13R1.417 COC(CNc1ccncc1)OC e5bd2820da226d7fa6810d1769fe9ab5 [0,0,0,0,0,1|1,0,0]=2 153 B13R1.417 COC(CNc1ccncn1)OC 9190267baca7b1d1eb7a0c28ce92db6c [0,0,0,0,0,1|2,0,0]=3 154 B13R1.417 COC(CNc1ccnnc1)OC 140f49124e14ebf3810e2cb66cac82b1 [0,0,0,0,0,1|2,0,0]=3 155 B13R1.417 COC(CNc1cnccn1)OC 0c428539ff565da0a86e7f8d5ebc7a56 [0,0,0,0,0,1|2,0,0]=3 156 B13R1.417 COC(CNc1cncnc1)OC 579754cd5654c1733710e18d5762f760 [0,0,0,0,0,1|2,0,0]=3 157 B13R1.417 COC(CNc1cnncn1)OC a6005b15a12d6f47616167f769fb7949 [0,0,0,0,0,1|3,0,0]=4 158 B13R1.417 COC(CNc1ncccn1)OC 8970394ade5930a0b9d6087b240c6fa0 [0,0,0,0,0,1|2,0,0]=3 159 B13R1.417 COC(CNc1nccnn1)OC 8b9f5392f5d73ec720eaf3adac929b18 [0,0,0,0,0,1|3,0,0]=4 160 B13R1.417 COC(CNc1ncncn1)OC 8109b4122d76c6f820a01a16616856ec [0,0,0,0,0,1|3,0,0]=4 161 B13R1.417 COC(COc1ccccn1)OC b9bc763a9e580496a1ed3fd48d2cb940 [0,0,0,0,0,1|1,0,0]=2 162 B13R1.417 COC(COc1cccnc1)OC 34934926f91a76e30e53f9d3d0f0f8e9 [0,0,0,0,0,1|1,0,0]=2 163 B13R1.417 COC(COc1ccncc1)OC 9abf2a9ffc1aa61d850ab853d1ea4f9a [0,0,0,0,0,1|1,0,0]=2 164 B13R1.417 COC(COc1ccnnc1)OC 2cfd1079800f3970186442891a3ac1a8 [0,0,0,0,0,1|2,0,0]=3 165 B13R1.417 COC(COc1cnccn1)OC 9382ece84365fda0cfd88ec429f94ced [0,0,0,0,0,1|2,0,0]=3 166 B13R1.417 COC(COc1cncnc1)OC c9f2c72a01466035d6adfdc2ab1bce16 [0,0,0,0,0,1|2,0,0]=3 167 B13R1.417 COC(COc1cncnn1)OC 939857d533c499e1806c6805b62c3e82 [0,0,0,0,0,1|3,0,0]=4 168 B13R1.417 COC(COc1ncccn1)OC ab4f4e8031c201b6005c68eca754a9e0 [0,0,0,0,0,1|2,0,0]=3 169 B13R1.417 CO[C@@H](CO)CNc1ccccc1 6349790bbcee1e2b7f121249b31683b8 [0,0,0,0,0,1|2,0,0]=3 170 B13R1.417 CO[C@@H](CO)CNc1ccccn1 ca712f510d0f2accbf7223c410d5e426 [0,0,0,0,0,1|3,0,0]=4 171 B13R1.417 CO[C@@H](CO)CNc1cccnc1 bb0f101e5322bb5c80e106413e418974 [0,0,0,0,0,1|3,0,0]=4 172 B13R1.417 CO[C@@H](CO)CNc1ccncc1 d9d119110b73014a1f84a2d74d588eea [0,0,0,0,0,1|3,0,0]=4 173 B10R1.17 CCCNc1ccccc1 b539dcf8361adb43cc5ffbb8617222f9 [2,0,0,0,0,0|2,0,0]=4 174 B10R1.17 CCNCc1ccccc1 b1285c6596ffdf0473a3780bf23df272 [2,0,0,0,0,0|2,0,0]=4 175 B10R1.17 CCOCc1ccccc1 551a24ad73c54bc42b4e27015fdb411f [2,0,0,0,0,0|2,0,0]=4 176 B10R1.17 COCNc1ccccc1 6c62c6b48b6ce69fe29d4b52e03d5674 [2,0,0,0,0,0|1,0,0]=3 177 B10R1.17 COCNc1ccccn1 a7abef3468bc69aa80ea510854a664da [2,0,0,0,0,0|2,0,0]=4 178 B10R1.17 COCNc1cccnc1 06eb298a8599044156c09f99ea626504 [2,0,0,0,0,0|2,0,0]=4 179 B10R1.17 COCNc1ccncc1 cff9bc6476b5f7fb176472d400021849 [2,0,0,0,0,0|2,0,0]=4 180 B10R1.17 COCOc1ccccn1 20cd252a71a5a01c3e93af63053a4326 [2,0,0,0,0,0|2,0,0]=4 181 B10R1.17 COCOc1cccnc1 d9b37fb8d6b9f459b8606485db596791 [2,0,0,0,0,0|2,0,0]=4 182 B10R1.17 COCOc1ccncc1 18fbb570a0961cb423d27776329da350 [2,0,0,0,0,0|2,0,0]=4 183 B10R1.17 CSCNc1ccccc1 7a27a5c68b132b0ae36908396631930e [2,0,0,0,0,0|1,1,0]=4 184 B10R1.18 CC(C)Nc1ccccc1 678b2595d663b993cd638fb4df86366a [2,0,0,0,0,0|1,0,0]=3 185 B10R1.18 CC(C)Nc1ccccn1 8f41ba2831fdc97ef841b17526dcf604 [2,0,0,0,0,0|2,0,0]=4 186 B10R1.18 CC(C)Nc1cccnc1 b32b013363863cea153240b96e97c19f [2,0,0,0,0,0|2,0,0]=4 187 B10R1.18 CC(C)Nc1ccncc1 ed919cf6533ea85c87fe5a974cf5c4b4 [2,0,0,0,0,0|2,0,0]=4 188 B10R1.18 CC(C)Oc1ccccn1 0855bdc27823287e98107cda25a8e4de [2,0,0,0,0,0|2,0,0]=4 189 B10R1.18 CC(C)Oc1cccnc1 2d5fbf8b6573bcaaa6ad1437daf348fa [2,0,0,0,0,0|2,0,0]=4 190 B10R1.18 CC(C)Oc1ccncc1 fcbd1de824cfd0b7040632344868de57 [2,0,0,0,0,0|2,0,0]=4 191 B12R0.57 C/C=C/C=C/COCC(OC)OC 4c7e4ac73f7492e61d132b0700646152 [0,1,1,0,0,0|0,0,2]=4 192 B12R0.57 C=C/C=C/CCNCC(OC)OC 4a624402fd957b9e67e872599cd73d7e [0,1,1,0,0,0|0,0,2]=4 193 B12R0.57 CC=CC=CCOCC(OC)OC 8c4f8adc34bc2b25e567726790eaf307 [0,1,1,0,0,0|0,0,2]=4 194 B12R0.133 C=C/C=C/C(=O)NCC(OC)OC a4b49e5f7d86226f66d61f71ab72b73a [0,1,1,0,0,0|1,0,0]=3 195 B12R0.133 C=C/C=C\C(=O)NCC(OC)OC 0b90091a7a19979b8e2b6ced66ddcfc9 [0,1,1,0,0,0|1,0,0]=3 196 B12R0.133 C=CC=CC(=O)NCC(OC)OC 47ea66d7b02d044a1528688164f77b5b [0,1,1,0,0,0|1,0,0]=3 197 B12R0.162 C=CCN(CC=C)CC(OC)OC 4f1db642491f5cbe36be2de8cafea3b1 [0,1,1,0,0,0|1,0,1]=4 198 B12R1.32 CC(CCO)Nc1ccccc1 9bf70c52b6fbdda0acbad0fbf8bda5d0 [1,1,0,0,0,0|2,0,0]=4 199 B12R1.32 CC(Cc1ccccn1)NCF d5fdd6b98c347b6317b5d0d8cf3c28b6 [1,1,0,0,0,0|2,0,0]=4 200 B12R1.32 CC(Cc1ccccn1)NCO eb641c414d0b15108bf9321647b7890c [1,1,0,0,0,0|2,0,0]=4 201 B12R1.32 CC(Cc1ccccn1)OCF d6c424851ea201f763a1418247a6eb34 [1,1,0,0,0,0|1,0,0]=3 202 B12R1.32 CC(Cc1cccnc1)NCF 0a8331e6b65f8d98e5c22c4682170fe6 [1,1,0,0,0,0|2,0,0]=4 203 B12R1.32 CC(Cc1cccnc1)NCO 2d1e9d214ab4e58b5282fe30111314e4 [1,1,0,0,0,0|2,0,0]=4 204 B12R1.32 CC(Cc1ccncc1)NCF 552d22a85f958469339986039ae7dce3 [1,1,0,0,0,0|2,0,0]=4 205 B12R1.32 CC(Cc1ccncc1)NCO def23991f96c3f6436149b61afb90490 [1,1,0,0,0,0|2,0,0]=4 206 B12R1.32 CC(Cc1cnccn1)OCF 19c4f4c9a50c77974aa8cdac147d1ec7 [1,1,0,0,0,0|2,0,0]=4 207 B12R1.32 CCCC(C)Nc1ccccc1 0980d123cfa1556625b2cd315916fb5f [1,1,0,0,0,0|2,0,0]=4 208 B12R1.32 CCCN(C)Cc1ccccc1 4eed5f3692a34dc05deac3e14f757f4f [1,1,0,0,0,0|2,0,0]=4 209 B12R1.32 CCC[C@H](C)Nc1ccccc1 14114dc7aca9a95d33818d8f8cfafa73 [1,1,0,0,0,0|2,0,0]=4 210 B12R1.32 CCNC(C)Cc1ccccn1 3f739570fdaf944ffb41444c69149a83 [1,1,0,0,0,0|2,0,0]=4 211 B12R1.32 CCNC(C)Cc1cccnc1 1c73ce06501092b14624237b8eaa830e [1,1,0,0,0,0|2,0,0]=4 212 B12R1.32 CCNC(C)Cc1ccncc1 1ac39eab33f6c8633237d01993a17382 [1,1,0,0,0,0|2,0,0]=4 213 B12R1.32 CCOC(C)Cc1ccccc1 37a2c2b5ef50b1a7cf2088b7456e4451 [1,1,0,0,0,0|0,0,0]=2 214 B12R1.32 CCOC(C)Cc1ccccn1 144eae020541eabb52d7b3534ceef0a4 [1,1,0,0,0,0|1,0,0]=3 215 B12R1.32 CCOC(C)Cc1cnccn1 3ecdf3d8e361b30d87e2f6f581391495 [1,1,0,0,0,0|2,0,0]=4 216 B12R1.32 CCO[C@@H](C)Cc1ccccc1 19276107fa4d022850aeee4089dafd0c [1,1,0,0,0,0|0,0,0]=2 217 B12R1.32 CCO[C@H](C)Cc1ccccc1 2f8e91d1dc9d2f9667dcff63e87e082c [1,1,0,0,0,0|0,0,0]=2 218 B12R1.32 CN(CCF)Cc1ccccc1 c2bce3f6897fd6361961da43db186c6c [1,1,0,0,0,0|2,0,0]=4 219 B12R1.32 CN(CCO)Cc1ccccc1 757bf36fdf4b02517da3241e86467be6 [1,1,0,0,0,0|2,0,0]=4 220 B12R1.32 CN(CCS)Cc1ccccc1 8e8f744accb260bbf35bc2715f513a4e [1,1,0,0,0,0|2,0,0]=4 221 B12R1.32 COCC(C)Nc1ccccc1 918c3e9faef698920f78ca93350fda53 [1,1,0,0,0,0|1,0,0]=3 222 B12R1.32 COCC(C)Nc1ccccn1 b87c4274a798014c5caa22801a140abd [1,1,0,0,0,0|2,0,0]=4 223 B12R1.32 COCC(C)Nc1cccnc1 b812752e64d8737319fd6f3db07b6bc1 [1,1,0,0,0,0|2,0,0]=4 224 B12R1.32 COCC(C)Nc1ccncc1 33b554ac3febbeb05911740b59f936a4 [1,1,0,0,0,0|2,0,0]=4 225 B12R1.32 COCC(C)Oc1ccccn1 668fa5e1f0515f975b72eaca09bba005 [1,1,0,0,0,0|2,0,0]=4 226 B12R1.32 COCC(C)Oc1cccnc1 e8657e7fea231a3cbb0976e5d4a5b3d8 [1,1,0,0,0,0|2,0,0]=4 227 B12R1.32 COCC(C)Oc1ccncc1 971ee2e47f6b711ed0fcda630805e921 [1,1,0,0,0,0|2,0,0]=4 228 B12R1.32 COCN(C)Cc1ccccc1 4d05c3d6ddf3ecec9a6b681c1068023b [1,1,0,0,0,0|1,0,0]=3 229 B12R1.32 COCN(C)Cc1ccccn1 be6855095994cc4fb8e97c0a5352a8a9 [1,1,0,0,0,0|2,0,0]=4 230 B12R1.32 COCN(C)Cc1cccnc1 f50236404b504213455088d1b436a4c1 [1,1,0,0,0,0|2,0,0]=4 231 B12R1.32 COCN(C)Cc1ccncc1 2c07abbe7586e08e1f7bb635b66559e0 [1,1,0,0,0,0|2,0,0]=4 232 B12R1.32 COC[C@@H](C)Nc1ccccc1 b6337fbd6f770477a80a235354ba550b [1,1,0,0,0,0|1,0,0]=3 233 B12R1.32 COC[C@@H](C)Nc1cccnc1 516207c81acf2dd1d4472d7b45572390 [1,1,0,0,0,0|2,0,0]=4 234 B12R1.32 COC[C@H](C)Nc1ccccc1 6b0bb5bdf147fc56918f57a798a463a2 [1,1,0,0,0,0|1,0,0]=3 235 B12R1.32 COC[C@H](C)Nc1cccnc1 0cec544e296a1ace9f6fb9794ec8ae21 [1,1,0,0,0,0|2,0,0]=4 236 B12R1.32 CSCN(C)Cc1ccccc1 d9791fc92d257d5436d9d59fe9a2c04e [1,1,0,0,0,0|1,1,0]=4 237 B12R1.32 C[C@@H](CCO)Nc1ccccc1 fc83b26b05d5bb1e6a4de978429a6aa3 [1,1,0,0,0,0|2,0,0]=4 238 B12R1.32 C[C@H](CCO)Nc1ccccc1 83604672ebfdf7df8b733c8cb4f2aa8a [1,1,0,0,0,0|2,0,0]=4 239 B12R1.43 CC(=O)C(C)Nc1ccccc1 a5a89e613210df479342158a0b1bf72b [1,1,0,0,0,0|2,0,0]=4 240 B12R1.43 CC(=O)N(C)Cc1ccccc1 b985bf2c7484ae6a34647301b4683566 [1,1,0,0,0,0|2,0,0]=4 241 B12R1.43 CC(C)C(C)Nc1ccccc1 48093fab6ce2f9bea5eaf7557d6a555a [1,1,0,0,0,0|2,0,0]=4 242 B12R1.43 CC(C)N(C)Cc1ccccc1 d5edd43e495581ab07d4c878cf7efc6a [1,1,0,0,0,0|2,0,0]=4 243 B12R1.43 CC(C)[C@@H](C)Nc1ccccc1 638de983f09ad8573a19e829866f679b [1,1,0,0,0,0|2,0,0]=4 244 B12R1.43 CC(C)[C@H](C)Nc1ccccc1 37a4cc2968d8598e2dd44bb0f3ee65d4 [1,1,0,0,0,0|2,0,0]=4 245 B12R1.43 CC(O)C(C)Nc1ccccc1 807016486516eda629177f9c4eb1e753 [1,1,0,0,0,0|2,0,0]=4 246 B12R1.49 CCC(C)Nc1ccc(cc1)Br 4d1c483cf4afbfba9a2f8d3db94bec3f [1,1,0,0,0,0|2,0,0]=4 247 B12R1.49 CCC(C)Nc1ccc(cc1)C 3b1fa0514d720f4b3db404292b778124 [1,1,0,0,0,0|2,0,0]=4 248 B12R1.49 CCC(C)Nc1ccc(cc1)Cl 76d63efd5fc59378ea17379a47e7b19f [1,1,0,0,0,0|2,0,0]=4 249 B12R1.49 CCC(C)Nc1ccc(cc1)F e00a92636e95efc27604581ea177b931 [1,1,0,0,0,0|2,0,0]=4 250 B12R1.49 CCC(C)Nc1ccc(cc1)I 442f4ce893379ae3f70afc3980567446 [1,1,0,0,0,0|2,0,0]=4 251 B12R1.49 CCC(C)Nc1ccc(cc1)S d4e426a89d91db8144c9fb2dff511b9d [1,1,0,0,0,0|2,0,0]=4 252 B12R1.49 CCC(C)Oc1ccc(cc1)Br e9ac760eb966c46626ad8cc78ce8ab95 [1,1,0,0,0,0|2,0,0]=4 253 B12R1.49 CCC(C)Oc1ccc(cc1)C 7e96b7f640ec60a64eac66e0769be3a7 [1,1,0,0,0,0|2,0,0]=4 254 B12R1.49 CCC(C)Oc1ccc(cc1)Cl e4591e0baef7f8d77d4837bf4d9fdb37 [1,1,0,0,0,0|2,0,0]=4 255 B12R1.49 CCC(C)Oc1ccc(cc1)F c16cd2d17d48a9601c3d676d21db62eb [1,1,0,0,0,0|2,0,0]=4 256 B12R1.49 CCC(C)Oc1ccc(cc1)I 1f03b3dddba16cff63099651f2c3fd3b [1,1,0,0,0,0|2,0,0]=4 257 B12R1.49 CCC(C)Oc1ccc(cc1)S d9f5a2f73690dbd57408915a8a39b443 [1,1,0,0,0,0|2,0,0]=4 258 B12R1.49 CCN(C)Cc1ccc(cc1)Br 1cd45e4ca45fae9e98f9fb1c46e39cc6 [1,1,0,0,0,0|2,0,0]=4 259 B12R1.49 CCN(C)Cc1ccc(cc1)C 055291017524f626e0726902d4240145 [1,1,0,0,0,0|2,0,0]=4 260 B12R1.49 CCN(C)Cc1ccc(cc1)Cl 44a860069a7f680293c76e814fd41a95 [1,1,0,0,0,0|2,0,0]=4 261 B12R1.49 CCN(C)Cc1ccc(cc1)F 54dace8f30df290c27637058b77ffe21 [1,1,0,0,0,0|2,0,0]=4 262 B12R1.49 CCN(C)Cc1ccc(cc1)I 5d72761060d288ad1c94906cd08bd152 [1,1,0,0,0,0|2,0,0]=4 263 B12R1.49 CC[C@@H](C)Nc1ccc(cc1)S cbd8e9c1c5acf2775569733e10999d98 [1,1,0,0,0,0|2,0,0]=4 264 B12R1.49 CC[C@H](C)Nc1ccc(cc1)S fffd6af76aaef88a5e0ba51aece02cfc [1,1,0,0,0,0|2,0,0]=4 265 B12R1.50 CCC(C)Nc1cccc(c1)Br 1d66578ce06ff9734ac9091e085e6a07 [1,1,0,0,0,0|2,0,0]=4 266 B12R1.50 CCC(C)Nc1cccc(c1)C d7cf6e3b62030f874de6f1eb9d16cf4f [1,1,0,0,0,0|2,0,0]=4 267 B12R1.50 CCC(C)Nc1cccc(c1)Cl 08bdcd143bf3141bf35886f1a7a48241 [1,1,0,0,0,0|2,0,0]=4 268 B12R1.50 CCC(C)Nc1cccc(c1)F abc1ee7f668b8358dc6ca8fd4a50a6d5 [1,1,0,0,0,0|2,0,0]=4 269 B12R1.50 CCC(C)Nc1cccc(c1)I bc6d04f9805b80597b81c6888c542900 [1,1,0,0,0,0|2,0,0]=4 270 B12R1.50 CCC(C)Nc1cccc(c1)S 2cd18a9ced79be6a90be5bf41232bef9 [1,1,0,0,0,0|2,0,0]=4 271 B12R1.50 CCC(C)Oc1cccc(c1)Br 11f5b596601cd571c59ff2afebc8ce7a [1,1,0,0,0,0|2,0,0]=4 272 B12R1.50 CCC(C)Oc1cccc(c1)C 9cbbc47209d16c8e877df0d39e5bcab2 [1,1,0,0,0,0|2,0,0]=4 273 B12R1.50 CCC(C)Oc1cccc(c1)Cl 3dfa34a86dfbb1225b2fc77d38aaa045 [1,1,0,0,0,0|2,0,0]=4 274 B12R1.50 CCC(C)Oc1cccc(c1)F 11c1cebedbe6e61c8d433bebe0c72b96 [1,1,0,0,0,0|2,0,0]=4 275 B12R1.50 CCC(C)Oc1cccc(c1)I 7ed5e0b105802053e06ca681572fa199 [1,1,0,0,0,0|2,0,0]=4 276 B12R1.50 CCC(C)Oc1cccc(c1)S 4218a788a21d0fc160d2648a272c1309 [1,1,0,0,0,0|2,0,0]=4 277 B12R1.50 CCN(C)Cc1cccc(c1)Br 0cfb611857c5cb7cc30f39c3873140b0 [1,1,0,0,0,0|2,0,0]=4 278 B12R1.50 CCN(C)Cc1cccc(c1)C 53ad3a118e4ee122b8b7018696871a03 [1,1,0,0,0,0|2,0,0]=4 279 B12R1.50 CCN(C)Cc1cccc(c1)Cl e6a716bb03372171d841e30f8f33fb19 [1,1,0,0,0,0|2,0,0]=4 280 B12R1.50 CCN(C)Cc1cccc(c1)F f82e676ee923805ac44e861b9bf86187 [1,1,0,0,0,0|2,0,0]=4 281 B12R1.50 CCN(C)Cc1cccc(c1)I e43924ee04038b2970f0d94ad73ebdd0 [1,1,0,0,0,0|2,0,0]=4 282 B12R1.50 CC[C@@H](C)Nc1cccc(c1)C 45d939f81c7b7d38cc39ca453cc6d8b9 [1,1,0,0,0,0|2,0,0]=4 283 B12R1.50 CC[C@H](C)Nc1cccc(c1)C 5181036d0ad680b57bb138220216ae0c [1,1,0,0,0,0|2,0,0]=4 284 B12R1.194 CCC(C)(C)Nc1ccccc1 17a09be9f9cdec5da28d382a8493f798 [1,1,0,0,0,0|2,0,0]=4 285 B12R1.371 CCC(C)Nc1ccccc1Cl de4bf505a5bbedeb31e8a75347207b67 [1,1,0,0,0,0|2,0,0]=4 286 B12R1.371 CCC(C)Nc1ccccc1I cd67cc2bf7f4f6d6c61e47b710e1bb55 [1,1,0,0,0,0|2,0,0]=4 287 B12R1.371 CCC(C)Nc1ccccc1S ecd9db41f3061f567fc7308b02ebdeed [1,1,0,0,0,0|2,0,0]=4 288 B12R1.371 CCC(C)Oc1ccccc1C a9f8caaebcb535b77e0f35c5ea074362 [1,1,0,0,0,0|2,0,0]=4 289 B12R1.371 CCC(C)Oc1ccccc1Cl 6f598d947434a44e209cdf34b797bf91 [1,1,0,0,0,0|2,0,0]=4 290 B12R1.371 CCC(C)Oc1ccccc1F b533bd9cc207ae92fa5d1dd0e1595cbc [1,1,0,0,0,0|2,0,0]=4 291 B12R1.371 CCC(C)Oc1ccccc1I 35e6ee1db321949fbb0c54358fea5b12 [1,1,0,0,0,0|2,0,0]=4 292 B12R1.371 CCC(C)Oc1ccccc1S 430f323aec7886fe8f11d201c4780b84 [1,1,0,0,0,0|2,0,0]=4 293 B12R1.371 CCN(C)Cc1ccccc1Cl e51c361dfc91d5636e1e5a4513a1b110 [1,1,0,0,0,0|2,0,0]=4 294 B12R1.371 CCN(C)Cc1ccccc1F 7c051a9a85266df48aaa13dcfa2254cd [1,1,0,0,0,0|2,0,0]=4 295 B12R1.371 CCN(C)Cc1ccccc1I 83032bc0e16de05a0971afc60500c87f [1,1,0,0,0,0|2,0,0]=4 296 B12R1.3 C#CC(OCC)c1ccccc1 c9e222a07b1334c71e039de024517831 [0,1,0,0,1,0|1,0,1]=4 297 B12R1.3 C#CC(OCF)c1ccccc1 2fa7e76e82117aff64b2ec00c6359677 [0,1,0,0,1,0|1,0,1]=4 298 B12R1.3 C#C[C@@H](OCC)c1ccccc1 ab36c1d59184fd317cb3013d853a5671 [0,1,0,0,1,0|1,0,1]=4 299 B12R1.3 C#C[C@@H](OCF)c1ccccc1 c3e68c5845d9335e4c9c4bd259697e43 [0,1,0,0,1,0|1,0,1]=4 300 B12R1.3 C#C[C@H](OCC)c1ccccc1 1101319a2e49d14a6eed62e76a43a592 [0,1,0,0,1,0|1,0,1]=4 301 B12R1.3 C#C[C@H](OCF)c1ccccc1 7ab26044a9cbad59f1b486eaa66d832b [0,1,0,0,1,0|1,0,1]=4 302 B12R1.3 C=CC(OCC)c1ccccc1 6bde42162b5d4c427a68bf4a10c8d095 [0,1,0,0,1,0|1,0,1]=4 303 B12R1.3 C=CC(OCF)c1ccccc1 5f73c1e6e0711249ad6cf93a7f337460 [0,1,0,0,1,0|1,0,1]=4 304 B12R1.3 CCC(NCF)c1ccccc1 ed86f14698723f0d42b213b4b8bf0e21 [0,1,0,0,1,0|2,0,0]=4 305 B12R1.3 CCC(NCO)c1ccccc1 162ffd02e2794d38a2def38bde94ce3c [0,1,0,0,1,0|2,0,0]=4 306 B12R1.3 CCC(OCF)c1ccccc1 5b485d5efcd72f947d8121a70246c978 [0,1,0,0,1,0|1,0,0]=3 307 B12R1.3 CCNC(CC)c1ccccc1 545af735d01bd949c3ac8c0f705df1c5 [0,1,0,0,1,0|2,0,0]=4 308 B12R1.3 CCN[C@@H](CC)c1ccccc1 04d3b6bff3d1780d8e4393fe160a01a5 [0,1,0,0,1,0|2,0,0]=4 309 B12R1.3 CCN[C@H](CC)c1ccccc1 caae78d6c102af5eac580f83fa54bc70 [0,1,0,0,1,0|2,0,0]=4 310 B12R1.3 CCOC(C#N)c1ccccc1 805d27e9f4caf999dbaee63bd249473f [0,1,0,0,1,0|2,0,0]=4 311 B12R1.3 CCOC(CC)c1ccccc1 1d12b3cd8d8b35a196d78ca3c83b16b1 [0,1,0,0,1,0|1,0,0]=3 312 B12R1.3 CCOC(CF)c1ccccc1 bb8f7d948231fd3c336c5958e3d5f3d1 [0,1,0,0,1,0|2,0,0]=4 313 B12R1.3 CCO[C@@H](C#N)c1ccccc1 f112c502298ec98341142ef676ad95e1 [0,1,0,0,1,0|2,0,0]=4 314 B12R1.3 CCO[C@@H](CC)c1ccccc1 ff776a615b7682f9fc21ac29a916a75c [0,1,0,0,1,0|1,0,0]=3 315 B12R1.3 CCO[C@H](CC)c1ccccc1 126bf67ce7412ce4ee019181c066a374 [0,1,0,0,1,0|1,0,0]=3 316 B12R1.3 CCO[C@H](CF)c1ccccc1 7dd160e9e223f7bf78a48ff1b17e143c [0,1,0,0,1,0|2,0,0]=4 317 B12R1.3 CC[C@@H](NCF)c1ccccc1 6f08188177f28f633cba50330514db2e [0,1,0,0,1,0|2,0,0]=4 318 B12R1.3 CC[C@@H](NCO)c1ccccc1 5d84ee4f86f004e922a53c121ca41963 [0,1,0,0,1,0|2,0,0]=4 319 B12R1.3 CC[C@@H](OCF)c1ccccc1 307e9d28b5193485842cb584d1b5a35a [0,1,0,0,1,0|1,0,0]=3 320 B12R1.3 CC[C@H](NCF)c1ccccc1 95804ae7f36e32213ebe989b5cd16cd1 [0,1,0,0,1,0|2,0,0]=4 321 B12R1.3 CC[C@H](NCO)c1ccccc1 d12bfbd0d9ffd6d724b18eeafaa4d3ef [0,1,0,0,1,0|2,0,0]=4 322 B12R1.3 CC[C@H](OCF)c1ccccc1 ee9c70fcb8cc52ab67267daa0fab1c73 [0,1,0,0,1,0|1,0,0]=3 323 B12R1.3 FCOC(CF)c1ccccc1 e8fe0e4aad5be8f3a99471fec3f8b5fe [0,1,0,0,1,0|2,0,0]=4 324 B12R1.3 FCO[C@H](CF)c1ccccc1 45e7d0441fac00b521f5a76542de6b8f [0,1,0,0,1,0|2,0,0]=4 325 B12R1.3 N#CC(OCF)c1ccccc1 93318d744c7b2c4359f3cad01cdd3b48 [0,1,0,0,1,0|2,0,0]=4 326 B12R1.3 N#C[C@H](OCF)c1ccccc1 29429bb9b7be9e0ca0101546c4b4678f [0,1,0,0,1,0|2,0,0]=4 327 B14R1.58 CCC(CC)OC(C)c1ccccc1 1d1227d6a7424d259deef47b2e6782ea [0,1,0,0,0,1|2,0,0]=4 328 B14R1.58 CCC(CC)O[C@@H](C)c1ccccc1 ed1054a11ce72a2881a7288aa31a10b3 [0,1,0,0,0,1|2,0,0]=4 329 B14R1.58 CCC(CC)O[C@H](C)c1ccccc1 eb5ab6891209faffe7a1ec9f48c2bc87 [0,1,0,0,0,1|2,0,0]=4 330 B14R1.58 COC(CN(C)c1ccccc1)OC d6a1aef081bd4276c52b0309db9eb062 [0,1,0,0,0,1|0,0,0]=2 331 B14R1.58 COC(CN(C)c1ccccn1)OC 24049e5a5d33af87e2e7ad442dbef3e9 [0,1,0,0,0,1|1,0,0]=3 332 B14R1.58 COC(CN(C)c1cccnc1)OC 036b887c99803e21eb9752d49e7621ce [0,1,0,0,0,1|1,0,0]=3 333 B14R1.58 COC(CN(C)c1cccnn1)OC 2d8a0be9cc8b3fa0288cf90761a89fc3 [0,1,0,0,0,1|2,0,0]=4 334 B14R1.58 COC(CN(C)c1ccncc1)OC 810048a75e84aa0b8955de20d364b4d3 [0,1,0,0,0,1|1,0,0]=3 335 B14R1.58 COC(CN(C)c1ccncn1)OC 0411a07b27d62e43e882ed03aa0ce5bf [0,1,0,0,0,1|2,0,0]=4 336 B14R1.58 COC(CN(C)c1ccnnc1)OC c05f5c3ac17e627ef0d236a741836f52 [0,1,0,0,0,1|2,0,0]=4 337 B14R1.58 COC(CN(C)c1cnccn1)OC 63cf363a8d607a8636694eb15fa6098e [0,1,0,0,0,1|2,0,0]=4 338 B14R1.58 COC(CN(C)c1ncccn1)OC 16eae14c42a73451c5a48dc9df836780 [0,1,0,0,0,1|2,0,0]=4 339 B14R1.387 CCC(CC)CNc1ccccc1Cl c1b980b4fd99add61a8171f533ca64ea [0,1,0,0,0,1|2,0,0]=4 340 B14R1.387 CCC(CC)CNc1ccccc1I 418288c357745d1391680edbd7cf9df1 [0,1,0,0,0,1|2,0,0]=4 341 B14R1.387 CCC(CC)COc1ccccc1Cl 6c50829378fdd939fa7230310ed1e96b [0,1,0,0,0,1|2,0,0]=4 342 B14R1.387 CCC(CC)COc1ccccc1F cda99df63fa3cfd3680145599738fdaa [0,1,0,0,0,1|2,0,0]=4 343 B14R1.387 CCC(CC)NCc1ccccc1C 612ab477732af087d0a9073bb1d32962 [0,1,0,0,0,1|2,0,0]=4 344 B14R1.387 CCC(CC)NCc1ccccc1Cl ada2de77a2d0feb0a0c98fd7fe0a61e1 [0,1,0,0,0,1|2,0,0]=4 345 B14R1.387 CCC(CC)NCc1ccccc1F f97c46048e53623537845b713749cdd4 [0,1,0,0,0,1|2,0,0]=4 346 B14R1.387 CCC(CC)NCc1ccccc1I 75a45bfb36dd8a639e7f4163c667aacf [0,1,0,0,0,1|2,0,0]=4 347 B14R1.387 CCC(CC)OCc1ccccc1Cl 50b78d45281598c3fb62980384232891 [0,1,0,0,0,1|2,0,0]=4 348 B14R1.387 CCC(CC)OCc1ccccc1F eab5917cafd8ee2bb0e259558fd06848 [0,1,0,0,0,1|2,0,0]=4 349 B14R1.387 CCC(CC)OCc1ccccc1I 793dcb69be471a39df222398c7341a48 [0,1,0,0,0,1|2,0,0]=4 350 B14R1.387 COC(CNc1c[nH]ccc1=O)OC 4b82d0e7f1a3731a83c6ce961dcfa164 [0,1,0,0,0,1|1,0,0]=3 351 B14R1.387 COC(CNc1c[nH]cnc1=O)OC ddfcb9801ac0146fda684378b64b53da [0,1,0,0,0,1|2,0,0]=4 352 B14R1.387 COC(CNc1ccc[nH]c1=S)OC 0f32b6f6ab2290307b545e7c0049a28c [0,1,0,0,0,1|1,0,0]=3 353 B14R1.387 COC(CNc1cccc[n+]1[O-])OC dee2e517691699e7fd8f3abc03032684 [0,1,0,0,0,1|1,0,0]=3 354 B14R1.387 COC(CNc1ccccc1C)OC 943016c3788d8f5e2acc3df059f9651d [0,1,0,0,0,1|0,0,0]=2 355 B14R1.387 COC(CNc1ccccc1Cl)OC aa9de3aa1a10ce2cb7a135aef9d8d45c [0,1,0,0,0,1|0,0,0]=2 356 B14R1.387 COC(CNc1ccccc1F)OC 7469445bee57badeea4b10060534aafd [0,1,0,0,0,1|0,0,0]=2 357 B14R1.387 COC(CNc1ccccc1I)OC 3cb70af54e300df21dacac1d48b7110e [0,1,0,0,0,1|0,0,0]=2 358 B14R1.387 COC(CNc1ccccc1S)OC abd9b1c01b7a429290239abbe1cd6826 [0,1,0,0,0,1|0,0,0]=2 359 B14R1.387 COC(CNc1cccnc1Br)OC 84ca6c7d756906be13cd3f7fd56b1c35 [0,1,0,0,0,1|1,0,0]=3 360 B14R1.387 COC(CNc1cccnc1C)OC 0e067d1db9916341671ae6613d75329e [0,1,0,0,0,1|1,0,0]=3 361 B14R1.387 COC(CNc1cccnc1Cl)OC 65492401bcb6043af41bd1adaa651bc3 [0,1,0,0,0,1|1,0,0]=3 362 B14R1.387 COC(CNc1cccnc1F)OC bb6cc7f41298ac34821184b76ffc1bdd [0,1,0,0,0,1|1,0,0]=3 363 B14R1.387 COC(CNc1cccnc1I)OC 48a5ee50fb7fc8cd6360437618147f25 [0,1,0,0,0,1|1,0,0]=3 364 B14R1.387 COC(CNc1ccn[nH]c1=O)OC 49b72f6c2c2ebfce413bdbef75d7e070 [0,1,0,0,0,1|2,0,0]=4 365 B14R1.387 COC(CNc1ccn[nH]c1=S)OC 6a2b58742183a1510ec20eecbd7d06bb [0,1,0,0,0,1|2,0,0]=4 366 B14R1.387 COC(CNc1ccncc1Br)OC 73b26ace6583a0bb85ff5efb31ce0af6 [0,1,0,0,0,1|1,0,0]=3 367 B14R1.387 COC(CNc1ccncc1C)OC 37fb381697abdf06018697510d5f526f [0,1,0,0,0,1|1,0,0]=3 368 B14R1.387 COC(CNc1ccncc1Cl)OC ae7e73b1dd23ab95b355e37936874004 [0,1,0,0,0,1|1,0,0]=3 369 B14R1.387 COC(CNc1ccncc1F)OC c5c921c91716ff95f2ad6c2f3cbb89ba [0,1,0,0,0,1|1,0,0]=3 370 B14R1.387 COC(CNc1ccncc1I)OC dec585cdb68fabee1fad860f24dacde5 [0,1,0,0,0,1|1,0,0]=3 371 B14R1.387 COC(CNc1ccnnc1Br)OC e542ea56fea62af241761ed1e1e576f8 [0,1,0,0,0,1|2,0,0]=4 372 B14R1.387 COC(CNc1ccnnc1C)OC 77f028b12ea3fbbec317a3a7c829569e [0,1,0,0,0,1|2,0,0]=4 373 B14R1.387 COC(CNc1ccnnc1Cl)OC 2b33eab823d9ebe96bc1e8ddaa67c07b [0,1,0,0,0,1|2,0,0]=4 374 B14R1.387 COC(CNc1cnccc1Br)OC 9a61cc93fe38453656168103318ba641 [0,1,0,0,0,1|1,0,0]=3 375 B14R1.387 COC(CNc1cnccc1C)OC d0a7f823d87a66ee5c7aab3a29aaa8a3 [0,1,0,0,0,1|1,0,0]=3 376 B14R1.387 COC(CNc1cnccc1Cl)OC 5dd2c5b77c916e2b5e348c948a25d7b9 [0,1,0,0,0,1|1,0,0]=3 377 B14R1.387 COC(CNc1cnccc1F)OC a4e8b6b00d144b54d02438c04ad9c677 [0,1,0,0,0,1|1,0,0]=3 378 B14R1.387 COC(CNc1cnccc1I)OC 162acd4921a636261754ced3d7d42352 [0,1,0,0,0,1|1,0,0]=3 379 B14R1.387 COC(CNc1cnccc1S)OC 4c5302952a526a5b6d8bffbc53be46d8 [0,1,0,0,0,1|1,0,0]=3 380 B14R1.387 COC(CNc1cncnc1Br)OC 96f8d88fd283276e3e1a39e7e341066d [0,1,0,0,0,1|2,0,0]=4 381 B14R1.387 COC(CNc1cncnc1C)OC 48f1d4901290db9f58fd577958d0b1ee [0,1,0,0,0,1|2,0,0]=4 382 B14R1.387 COC(CNc1cncnc1Cl)OC 2bccfb578526f94857a3762c44105f72 [0,1,0,0,0,1|2,0,0]=4 383 B14R1.387 COC(CNc1cnncc1Br)OC 8e5f3c5afe96531856271346bd622d41 [0,1,0,0,0,1|2,0,0]=4 384 B14R1.387 COC(CNc1cnncc1Cl)OC 67fb33ce87904b907c2b2efa6b5c352c [0,1,0,0,0,1|2,0,0]=4 385 B14R1.387 COC(CNc1ncccc1Br)OC 73b4f0136c87a12d2f5d5e3c1003c7d7 [0,1,0,0,0,1|1,0,0]=3 386 B14R1.387 COC(CNc1ncccc1C)OC c1104032ddaae420e93212af969aa6b9 [0,1,0,0,0,1|1,0,0]=3 387 B14R1.387 COC(CNc1ncccc1Cl)OC 2bbbe37410806acc1d7899eb3136bf49 [0,1,0,0,0,1|1,0,0]=3 388 B14R1.387 COC(CNc1ncccc1F)OC de821e8b234b61ebce32693c625156d5 [0,1,0,0,0,1|1,0,0]=3 389 B14R1.387 COC(CNc1ncccc1I)OC ba0bf8da8b47afd69c8eb294ad35385f [0,1,0,0,0,1|1,0,0]=3 390 B14R1.387 COC(CNc1nccnc1Br)OC d338dec80d9cafaf790059b85a5f47fb [0,1,0,0,0,1|2,0,0]=4 391 B14R1.387 COC(CNc1nccnc1C)OC ee2602166cec81cd1e73a7a386f88f5e [0,1,0,0,0,1|2,0,0]=4 392 B14R1.387 COC(CNc1nccnc1Cl)OC b90c6e435563935525e537589ec9bc29 [0,1,0,0,0,1|2,0,0]=4 393 B14R1.387 COC(CNc1nccnc1I)OC dcf426b0c539982ff4a691a26fcb759c [0,1,0,0,0,1|2,0,0]=4 394 B14R1.387 COC(CNc1ncncc1Br)OC 2f03403d87831bde01de9eebbf10570f [0,1,0,0,0,1|2,0,0]=4 395 B14R1.387 COC(CNc1ncncc1C)OC 31c7920d472465a840bc22c7c037d041 [0,1,0,0,0,1|2,0,0]=4 396 B14R1.387 COC(CNc1ncncc1Cl)OC 642d6a5605ae82337278f0449410b7e6 [0,1,0,0,0,1|2,0,0]=4 397 B14R1.387 COC(CNc1ncncc1F)OC ccc8e4289daf173cb5a0b79ba093ace6 [0,1,0,0,0,1|2,0,0]=4 398 B14R1.387 COC(CNc1ncncc1I)OC 600390c21be78f562132394579e65acb [0,1,0,0,0,1|2,0,0]=4 399 B14R1.387 COC(CNc1nnccc1C)OC 8eebf22a4c3a640e9c6e637199f86524 [0,1,0,0,0,1|2,0,0]=4 400 B14R1.387 COC(COc1c[nH]cnc1=O)OC a3043da49a5369127712baf05723cb0f [0,1,0,0,0,1|2,0,0]=4 401 B14R1.387 COC(COc1ccc[nH]c1=S)OC 2e7f7f925075852b015ba8e7d97a4d3e [0,1,0,0,0,1|1,0,0]=3 402 B14R1.387 COC(COc1cccc[n+]1[O-])OC a92f1b4f241ff490ac1fe57f41ba57a5 [0,1,0,0,0,1|1,0,0]=3 403 B14R1.387 COC(COc1ccccc1Br)OC 15507729ca7a520b7eed105224459157 [0,1,0,0,0,1|0,0,0]=2 404 B14R1.387 COC(COc1ccccc1C)OC 0df9190ef157c8808399848c79462a9d [0,1,0,0,0,1|0,0,0]=2 405 B14R1.387 COC(COc1ccccc1Cl)OC 4854d276d0627c6a6db5dc386028e0fa [0,1,0,0,0,1|0,0,0]=2 406 B14R1.387 COC(COc1ccccc1F)OC 4955d2f8c8c87362b68b442ac9b6c837 [0,1,0,0,0,1|0,0,0]=2 407 B14R1.387 COC(COc1ccccc1I)OC 739196af0ed61f19119f2b6decaa2c58 [0,1,0,0,0,1|0,0,0]=2 408 B14R1.387 COC(COc1ccccc1S)OC 047354b1ddcd67dc76f49dfd588eaa1f [0,1,0,0,0,1|0,0,0]=2 409 B14R1.387 COC(COc1cccnc1Br)OC 52c46128c89b1673837e5829ce24d995 [0,1,0,0,0,1|1,0,0]=3 410 B14R1.387 COC(COc1cccnc1C)OC cb8104714b3068c02746bbe2cb57ef44 [0,1,0,0,0,1|1,0,0]=3 411 B14R1.387 COC(COc1cccnc1Cl)OC 21f622154a26d1bc058ce5ab06bc607f [0,1,0,0,0,1|1,0,0]=3 412 B14R1.387 COC(COc1cccnc1F)OC a4b5a8c8464d89a6b3f38bfb4f74388f [0,1,0,0,0,1|1,0,0]=3 413 B14R1.387 COC(COc1cccnc1I)OC 9ab3a227c0d70ca4f586b544aae14411 [0,1,0,0,0,1|1,0,0]=3 414 B14R1.387 COC(COc1cccoc1=O)OC 4d0f43f3172b388500cbeefb167842aa [0,1,0,0,0,1|1,0,0]=3 415 B14R1.387 COC(COc1ccncc1Br)OC 5a0d2d523bd841f47b7af37f13084e85 [0,1,0,0,0,1|1,0,0]=3 416 B14R1.387 COC(COc1ccncc1C)OC b70c05ef8e5f507f78a88f4cec383ea5 [0,1,0,0,0,1|1,0,0]=3 417 B14R1.387 COC(COc1ccncc1Cl)OC 46e952732e6fab6cad73ae4dfef1b3c8 [0,1,0,0,0,1|1,0,0]=3 418 B14R1.387 COC(COc1ccncc1F)OC f2df7b94c5a48c598c308d0a314817dc [0,1,0,0,0,1|1,0,0]=3 419 B14R1.387 COC(COc1ccnnc1Cl)OC c576d21afa73eb6c798993a0d7db74d4 [0,1,0,0,0,1|2,0,0]=4 420 B14R1.387 COC(COc1cnccc1Br)OC 3466797934fe58283854ee149fa168ce [0,1,0,0,0,1|1,0,0]=3 421 B14R1.387 COC(COc1cnccc1C)OC 6ff72e3e4c803b4c73402fe37da69d1e [0,1,0,0,0,1|1,0,0]=3 422 B14R1.387 COC(COc1cnccc1Cl)OC f2266adba3209869cff95ca410a79463 [0,1,0,0,0,1|1,0,0]=3 423 B14R1.387 COC(COc1cnccc1F)OC b6e353ba76b8a3d07d1f21ef57eb2860 [0,1,0,0,0,1|1,0,0]=3 424 B14R1.387 COC(COc1cnccc1I)OC 384aa23e255b8413545c6990b720ff58 [0,1,0,0,0,1|1,0,0]=3 425 B14R1.387 COC(COc1cncnc1C)OC 06809cd38eae6957d8f1989f6f29e682 [0,1,0,0,0,1|2,0,0]=4 426 B14R1.387 COC(COc1cncnc1I)OC 0ab304c23a151d4d8311f8968bc5e862 [0,1,0,0,0,1|2,0,0]=4 427 B14R1.387 COC(COc1cnncc1Br)OC 1d0cd0e554c76e67972a628b2e88bc9e [0,1,0,0,0,1|2,0,0]=4 428 B14R1.387 COC(COc1cnncc1Cl)OC 2749b56369f8a8180bdc5d9ab513f0ab [0,1,0,0,0,1|2,0,0]=4 429 B14R1.387 COC(COc1coccc1=O)OC 2b6446613cf390a9bf0d12b34d255988 [0,1,0,0,0,1|1,0,0]=3 430 B14R1.387 COC(COc1ncccc1Br)OC d440bbb240d7cd7f58462bd510ef5cd3 [0,1,0,0,0,1|1,0,0]=3 431 B14R1.387 COC(COc1ncccc1C)OC 9f6ecb69d4fab3b8794d8239b4805cfb [0,1,0,0,0,1|1,0,0]=3 432 B14R1.387 COC(COc1ncccc1Cl)OC c8519209e717599b2b4592f833fb24c6 [0,1,0,0,0,1|1,0,0]=3 433 B14R1.387 COC(COc1ncccc1F)OC 8f7616178e6f0e49191042ec206067aa [0,1,0,0,0,1|1,0,0]=3 434 B14R1.387 COC(COc1nccnc1Br)OC 8985b1a9a82b2f13b96134c644676ecd [0,1,0,0,0,1|2,0,0]=4 435 B14R1.387 COC(COc1nccnc1C)OC 0a180a7690c07fbfc5063e619c14d89e [0,1,0,0,0,1|2,0,0]=4 436 B14R1.387 COC(COc1ncncc1C)OC 97dd35399c40c427af010a97249b2dd7 [0,1,0,0,0,1|2,0,0]=4 437 B14R1.387 COC(COc1ncncc1Cl)OC be9895b6c09daf286f5b7b8e27cc5ab2 [0,1,0,0,0,1|2,0,0]=4 438 B14R1.387 COC(COc1ncncc1F)OC 4e38dce0b7ac4f2f723ffbb6125879f9 [0,1,0,0,0,1|2,0,0]=4 439 B14R1.387 COC(COc1ncncc1I)OC b9150eb2bff75513bebbed266c91e9b0 [0,1,0,0,0,1|2,0,0]=4 440 B14R1.387 COC(COc1nnccc1C)OC 223756ff1a5484a2995c5146e787ec1f [0,1,0,0,0,1|2,0,0]=4 441 B14R1.387 COC(COc1nnccc1Cl)OC 038efaf28e943cae937f33b84ded1ce3 [0,1,0,0,0,1|2,0,0]=4 442 B14R1.387 COC(COc1nnccc1I)OC e7fd7ce914ca6cc2a5c32f36c0198cc3 [0,1,0,0,0,1|2,0,0]=4 443 B14R1.387 COC(COn1ccccc1=N)OC 2b4733d4a1058c83291d78c736b7b54c [0,1,0,0,0,1|1,0,0]=3 444 B14R1.387 COC(COn1ccccc1=O)OC 92059f392eb960aa8083a1320ee4b215 [0,1,0,0,0,1|1,0,0]=3 445 B14R1.387 COC(COn1ccccc1=S)OC d9a5780d57352d33f4aa12bf0b63157e [0,1,0,0,0,1|1,0,0]=3 446 B14R1.387 CO[C@@H](CO)CNc1ccccc1C 778da7d3d9f2c0cbb7135cd1d3cead98 [0,1,0,0,0,1|2,0,0]=4 447 B14R1.387 CO[C@@H](CO)CNc1ccccc1F 5e91f40bc7c891661319e72528ad5c84 [0,1,0,0,0,1|2,0,0]=4 448 B14R1.529 CCC(CC)CNc1ccc(cc1)Br ba1b21ccbe0e56fbef5697e6c8015221 [0,1,0,0,0,1|2,0,0]=4 449 B14R1.529 CCC(CC)CNc1ccc(cc1)C b92a7e6c54423df8401a69587ab69fad [0,1,0,0,0,1|2,0,0]=4 450 B14R1.529 CCC(CC)CNc1ccc(cc1)Cl bfec4fc059181f4970ef3fe36722a3ba [0,1,0,0,0,1|2,0,0]=4 451 B14R1.529 CCC(CC)CNc1ccc(cc1)F cb7f96a2e4cb579e26d6bbe353743766 [0,1,0,0,0,1|2,0,0]=4 452 B14R1.529 CCC(CC)CNc1ccc(cc1)I 8c251e84cd423570230d7b8f26d416dc [0,1,0,0,0,1|2,0,0]=4 453 B14R1.529 CCC(CC)CNc1ccc(cc1)S af5fd41c7c08f8d63d046750d89de958 [0,1,0,0,0,1|2,0,0]=4 454 B14R1.529 CCC(CC)COc1ccc(cc1)Br 92d94dce445881cc6d538b0b1b2b5076 [0,1,0,0,0,1|2,0,0]=4 455 B14R1.529 CCC(CC)COc1ccc(cc1)C 11a96cbbc1bd6ff261dc364b17f99fd7 [0,1,0,0,0,1|2,0,0]=4 456 B14R1.529 CCC(CC)COc1ccc(cc1)Cl 14822c2ceb06ff7b9b75ccf6ad23dde8 [0,1,0,0,0,1|2,0,0]=4 457 B14R1.529 CCC(CC)COc1ccc(cc1)F 801d384ec2a381ef9ffcc07c6aecb938 [0,1,0,0,0,1|2,0,0]=4 458 B14R1.529 CCC(CC)COc1ccc(cc1)I 1c79337d6ad8f1eff6cbd27e49205353 [0,1,0,0,0,1|2,0,0]=4 459 B14R1.529 CCC(CC)COc1ccc(cc1)S 11cad772b59a4874b7fe3d70bb2bf0ac [0,1,0,0,0,1|2,0,0]=4 460 B14R1.529 CCC(CC)NCc1ccc(cc1)Br 0863ee74141cb2cdf24998d98c313cd0 [0,1,0,0,0,1|2,0,0]=4 461 B14R1.529 CCC(CC)NCc1ccc(cc1)C fa240cc35fce9a0be7f74ba818f078ff [0,1,0,0,0,1|2,0,0]=4 462 B14R1.529 CCC(CC)NCc1ccc(cc1)Cl 0297d3b176af72a37be133d8a736645b [0,1,0,0,0,1|2,0,0]=4 463 B14R1.529 CCC(CC)NCc1ccc(cc1)F 25260260548da05b6e0988b847bf6d06 [0,1,0,0,0,1|2,0,0]=4 464 B14R1.529 CCC(CC)NCc1ccc(cc1)I 92f68adb5075f427f16339d4929ea406 [0,1,0,0,0,1|2,0,0]=4 465 B14R1.529 CCC(CC)OCc1ccc(cc1)Br 4278324344b62974a552c5447d56c9f3 [0,1,0,0,0,1|2,0,0]=4 466 B14R1.529 CCC(CC)OCc1ccc(cc1)C 462293bb4d3c9c0861624c9861cbefa9 [0,1,0,0,0,1|2,0,0]=4 467 B14R1.529 CCC(CC)OCc1ccc(cc1)Cl 7b83a37270c29b72aed406c7fb62328a [0,1,0,0,0,1|2,0,0]=4 468 B14R1.529 CCC(CC)OCc1ccc(cc1)F abe4bb19a8965242fb5a411fb9e6c06c [0,1,0,0,0,1|2,0,0]=4 469 B14R1.529 CCC(CC)OCc1ccc(cc1)I b5a9db5f6a5f90151b34640b7e0d2808 [0,1,0,0,0,1|2,0,0]=4 470 B14R1.529 CCC(CC)OCc1ccc(cc1)S f29c11f600ff633cd05413dbbd1bb7ba [0,1,0,0,0,1|2,0,0]=4 471 B14R1.529 COC(CNc1c[nH]c(=S)cn1)OC 748381240c54cc2d32dd810319efa24c [0,1,0,0,0,1|2,0,0]=4 472 B14R1.529 COC(CNc1ccc(=O)[nH]c1)OC 38f112e66da996e04dd74caea076de32 [0,1,0,0,0,1|1,0,0]=3 473 B14R1.529 COC(CNc1ccc(cc1)Br)OC bed394ef9a1331667549930933249f6d [0,1,0,0,0,1|0,0,0]=2 474 B14R1.529 COC(CNc1ccc(cc1)C)OC ccc0b219a65424b507beeed928e50cf3 [0,1,0,0,0,1|0,0,0]=2 475 B14R1.529 COC(CNc1ccc(cc1)Cl)OC 3ee974b675173be19757e676d0aaafcc [0,1,0,0,0,1|0,0,0]=2 476 B14R1.529 COC(CNc1ccc(cc1)F)OC f259f270e6602fea787eccd79d473018 [0,1,0,0,0,1|0,0,0]=2 477 B14R1.529 COC(CNc1ccc(cc1)I)OC 26201cd8745a974140eb61ca4308e744 [0,1,0,0,0,1|0,0,0]=2 478 B14R1.529 COC(CNc1ccc(cc1)S)OC ae345eac9ab61ec773e61b974a1a1c61 [0,1,0,0,0,1|0,0,0]=2 479 B14R1.529 COC(CNc1ccc(cn1)Br)OC 8a9010a58f53643f42f026f21445ef23 [0,1,0,0,0,1|1,0,0]=3 480 B14R1.529 COC(CNc1ccc(cn1)C)OC fc93f1a9df31ca9254cc186c45d307ef [0,1,0,0,0,1|1,0,0]=3 481 B14R1.529 COC(CNc1ccc(cn1)Cl)OC 00cea5260c9aa23863ced5976c9f0408 [0,1,0,0,0,1|1,0,0]=3 482 B14R1.529 COC(CNc1ccc(cn1)F)OC c428f65a499e67473db65210a59cd30d [0,1,0,0,0,1|1,0,0]=3 483 B14R1.529 COC(CNc1ccc(cn1)I)OC 46621bcd5e0c3b0997fa5b80534e3384 [0,1,0,0,0,1|1,0,0]=3 484 B14R1.529 COC(CNc1ccc(nc1)Br)OC 576ad2f5d36b80774b39c0ee0aae1ba7 [0,1,0,0,0,1|1,0,0]=3 485 B14R1.529 COC(CNc1ccc(nc1)C)OC e9633ec5a8607d0d6165380dbe5190de [0,1,0,0,0,1|1,0,0]=3 486 B14R1.529 COC(CNc1ccc(nc1)Cl)OC ffbd54f4f215707d5f189f29e79fc307 [0,1,0,0,0,1|1,0,0]=3 487 B14R1.529 COC(CNc1ccc(nc1)F)OC cf2aeebe3e4598327af23c8e9fed134b [0,1,0,0,0,1|1,0,0]=3 488 B14R1.529 COC(CNc1ccc(nc1)I)OC d877681d1ffb68fca5d3ee0444f5e410 [0,1,0,0,0,1|1,0,0]=3 489 B14R1.529 COC(CNc1ccc(nn1)Br)OC d1515469a9e7d7b98799803dc2a92ea0 [0,1,0,0,0,1|2,0,0]=4 490 B14R1.529 COC(CNc1ccc(nn1)C)OC 114f73dddfbe4af6f83f7720a843a399 [0,1,0,0,0,1|2,0,0]=4 491 B14R1.529 COC(CNc1ccc(nn1)Cl)OC 9afa40f3fe89399589362ca976f8f16a [0,1,0,0,0,1|2,0,0]=4 492 B14R1.529 COC(CNc1ccc(nn1)F)OC 72cd17d70db6cd5e9cbb508ad0afdbb2 [0,1,0,0,0,1|2,0,0]=4 493 B14R1.529 COC(CNc1ccc(nn1)I)OC fc08a781c624f577f09c491c5b38012e [0,1,0,0,0,1|2,0,0]=4 494 B14R1.529 COC(CNc1cnc(=O)[nH]c1)OC 249da2a4862e0361611c9b7ea4066c62 [0,1,0,0,0,1|2,0,0]=4 495 B14R1.529 COC(CNc1cnc(cn1)Br)OC 6c205ac3aad0573c97022f31105e85f8 [0,1,0,0,0,1|2,0,0]=4 496 B14R1.529 COC(CNc1cnc(cn1)C)OC 8daa6e197e12e5d353ac8f879c2f3237 [0,1,0,0,0,1|2,0,0]=4 497 B14R1.529 COC(CNc1cnc(cn1)Cl)OC fb5fc1360cc5694e6ca556b4652c55ad [0,1,0,0,0,1|2,0,0]=4 498 B14R1.529 COC(CNc1cnc(cn1)I)OC eb80c5af0e4c8d9d256d106c64242c13 [0,1,0,0,0,1|2,0,0]=4 499 B14R1.529 COC(CNc1cnc(nc1)Br)OC ebd2ee9837740f8191e3fb03db90e6d0 [0,1,0,0,0,1|2,0,0]=4 500 B14R1.529 COC(CNc1cnc(nc1)C)OC ddc9f477f1e5b64cedd579201221e866 [0,1,0,0,0,1|2,0,0]=4 501 B14R1.529 COC(CNc1cnc(nc1)Cl)OC 02c4ad395f75a6259769acbf3872948f [0,1,0,0,0,1|2,0,0]=4 502 B14R1.529 COC(CNc1cnc(nc1)I)OC 2cbfa674fda8bfca768bb7c8cf51a7c7 [0,1,0,0,0,1|2,0,0]=4 503 B14R1.529 COC(CNc1ncc(cn1)Br)OC b278084e81eb7691277d742893e391be [0,1,0,0,0,1|2,0,0]=4 504 B14R1.529 COC(CNc1ncc(cn1)C)OC 2167767a037e72d1914af210c141f229 [0,1,0,0,0,1|2,0,0]=4 505 B14R1.529 COC(CNc1ncc(cn1)Cl)OC cb5420dbd78759f2efcf133baca5221d [0,1,0,0,0,1|2,0,0]=4 506 B14R1.529 COC(CNc1ncc(cn1)F)OC d48aadd78cbb952ce09ddd733e9c10ee [0,1,0,0,0,1|2,0,0]=4 507 B14R1.529 COC(CNc1ncc(cn1)I)OC 25d48c42cd8dbe91aaabae4c34201893 [0,1,0,0,0,1|2,0,0]=4 508 B14R1.529 COC(COc1ccc(cc1)Br)OC 17eb272447d9008adb0adf55ae1dceb9 [0,1,0,0,0,1|0,0,0]=2 509 B14R1.529 COC(COc1ccc(cc1)C)OC a8a8140681638e545367f910fbbc0e50 [0,1,0,0,0,1|0,0,0]=2 510 B14R1.529 COC(COc1ccc(cc1)Cl)OC 609d335c0de97315a0f693242e430662 [0,1,0,0,0,1|0,0,0]=2 511 B14R1.529 COC(COc1ccc(cc1)F)OC 6417755b31842048190abc5d00b8104c [0,1,0,0,0,1|0,0,0]=2 512 B14R1.529 COC(COc1ccc(cc1)I)OC ab48b756b48fe71935d6993e31643e2e [0,1,0,0,0,1|0,0,0]=2 513 B14R1.529 COC(COc1ccc(cc1)S)OC 4019b6d56c9afb78112568c4f2ae3ccb [0,1,0,0,0,1|0,0,0]=2 514 B14R1.529 COC(COc1ccc(cn1)C)OC 9da6f0f04b2a414de5752be8cd7d41f2 [0,1,0,0,0,1|1,0,0]=3 515 B14R1.529 COC(COc1ccc(cn1)Cl)OC 174075290993f6178b070aa109599e98 [0,1,0,0,0,1|1,0,0]=3 516 B14R1.529 COC(COc1ccc(cn1)F)OC a5b3e2e15a54c550504dd7b360712108 [0,1,0,0,0,1|1,0,0]=3 517 B14R1.529 COC(COc1ccc(cn1)I)OC 66394a8ed1a833d46ca30c733d574407 [0,1,0,0,0,1|1,0,0]=3 518 B14R1.529 COC(COc1ccc(nc1)Br)OC 648856f4b9277e4f055bc4f78994c368 [0,1,0,0,0,1|1,0,0]=3 519 B14R1.529 COC(COc1ccc(nc1)C)OC 4c25055735bed0847b809f83fad0e744 [0,1,0,0,0,1|1,0,0]=3 520 B14R1.529 COC(COc1ccc(nc1)Cl)OC 2f97d8739ed9f05ca859e4ee3a4e4275 [0,1,0,0,0,1|1,0,0]=3 521 B14R1.529 COC(COc1ccc(nc1)F)OC 2a43b7101e0e11a764ee45bc8e649d9e [0,1,0,0,0,1|1,0,0]=3 522 B14R1.529 COC(COc1ccc(nc1)I)OC 5cc41b6c6ccad07d127c083f3ad82292 [0,1,0,0,0,1|1,0,0]=3 523 B14R1.529 COC(COc1ccc(nn1)Br)OC 46780fefda9fea2a2fc6eece236a13b4 [0,1,0,0,0,1|2,0,0]=4 524 B14R1.529 COC(COc1ccc(nn1)C)OC 3ee6e9da4599dbdcf023d7e0f60b7741 [0,1,0,0,0,1|2,0,0]=4 525 B14R1.529 COC(COc1ccc(nn1)Cl)OC 48e64e48a368d1425cffff2e594eb119 [0,1,0,0,0,1|2,0,0]=4 526 B14R1.529 COC(COc1cnc(cn1)Br)OC 81a3510143804a91ecd7af7ea5f6fdb6 [0,1,0,0,0,1|2,0,0]=4 527 B14R1.529 COC(COc1cnc(cn1)C)OC 6d4e5923fce1d71d6a939712aee73299 [0,1,0,0,0,1|2,0,0]=4 528 B14R1.529 COC(COc1cnc(cn1)Cl)OC 69f0b8d7271319ab1c76ed0647620b3c [0,1,0,0,0,1|2,0,0]=4 529 B14R1.529 COC(COc1cnc(cn1)I)OC 5c6cdf3aace1c77fa61210e5e7759faf [0,1,0,0,0,1|2,0,0]=4 530 B14R1.529 COC(COc1cnc(nc1)Br)OC 1c01aeca02c80b9f929751bec57fb39b [0,1,0,0,0,1|2,0,0]=4 531 B14R1.529 COC(COc1cnc(nc1)C)OC 0f752666e4febf8ae56877593672b516 [0,1,0,0,0,1|2,0,0]=4 532 B14R1.529 COC(COc1cnc(nc1)Cl)OC 00be72e630b29655e8da4a0bca699583 [0,1,0,0,0,1|2,0,0]=4 533 B14R1.529 COC(COc1ncc(cn1)Br)OC 163928a843e9f5de74ae2d5bf61775a8 [0,1,0,0,0,1|2,0,0]=4 534 B14R1.529 COC(COc1ncc(cn1)C)OC f9454ad509e495657f9170eb3e51baf7 [0,1,0,0,0,1|2,0,0]=4 535 B14R1.529 COC(COc1ncc(cn1)F)OC af1b1da124530ab5cff600e17cdeb568 [0,1,0,0,0,1|2,0,0]=4 536 B14R1.529 COC(COc1ncc(cn1)I)OC 343bf93c35de19236c017fdf69dad6fc [0,1,0,0,0,1|2,0,0]=4 537 B14R1.529 CO[C@@H](CO)CNc1ccc(cc1)C 1513d5e211567f57c367525fdc5be383 [0,1,0,0,0,1|2,0,0]=4 538 B14R1.529 CO[C@@H](CO)CNc1ccc(cc1)F 16a41f0fb7f7e287bea8e97bf90271f7 [0,1,0,0,0,1|2,0,0]=4 539 B14R1.529 CO[C@@H](CO)CNc1ccc(cc1)S a9f1670cb4e289eb38af163db93a14df [0,1,0,0,0,1|2,0,0]=4 540 B14R1.532 CCC(CC)N(C)Cc1ccccc1 800a290d9934e7fce06b80e3c368a126 [0,1,0,0,0,1|2,0,0]=4 541 B14R1.532 COC(OC)C(=O)Nc1ccccn1 4223e0e8bb2ddc35a9890b3152198510 [0,1,0,0,0,1|1,0,1]=4 542 B14R1.532 COC(OC)C(=O)Nc1cccnc1 af535447369b1c2203409420087ada08 [0,1,0,0,0,1|1,0,1]=4 543 B14R1.532 COC(OC)C(=O)Nc1ccncc1 e7fce330f7b5f1e48b42e8aad7140d07 [0,1,0,0,0,1|1,0,1]=4 544 B14R1.532 COC(OC)C(C)Nc1ccccc1 c557937053b27f17d5a98acbfb3319b9 [0,1,0,0,0,1|0,0,0]=2 545 B14R1.532 COC(OC)C(C)Nc1ccccn1 688cb9d4218acdaf76286b8413f0f29b [0,1,0,0,0,1|1,0,0]=3 546 B14R1.532 COC(OC)C(C)Nc1cccnc1 df5d2294080606449302c5264859d54e [0,1,0,0,0,1|1,0,0]=3 547 B14R1.532 COC(OC)C(C)Oc1ccccn1 9bd9f480ceb8cbfdedfaff224ae81e62 [0,1,0,0,0,1|1,0,0]=3 548 B14R1.547 CCC(CC)CNc1cccc(c1)Br c7bd4297f4fb0cbbc7c25ba9f13f0841 [0,1,0,0,0,1|2,0,0]=4 549 B14R1.547 CCC(CC)CNc1cccc(c1)C 5a58b6a2c9d17d1c5227504bca49374b [0,1,0,0,0,1|2,0,0]=4 550 B14R1.547 CCC(CC)CNc1cccc(c1)Cl 044e3ed5a03d4f255238d325bb653298 [0,1,0,0,0,1|2,0,0]=4 551 B14R1.547 CCC(CC)CNc1cccc(c1)F d33e43ae8bcbcbf396c4e1ec9f2a9eab [0,1,0,0,0,1|2,0,0]=4 552 B14R1.547 CCC(CC)CNc1cccc(c1)I d82c9a8600ccc9480f8dc4d4c478c215 [0,1,0,0,0,1|2,0,0]=4 553 B14R1.547 CCC(CC)CNc1cccc(c1)S 73297e67bda45e93e1f5a92a5310cef0 [0,1,0,0,0,1|2,0,0]=4 554 B14R1.547 CCC(CC)COc1cccc(c1)Br e497900f5a73b3f78111d8c8744e940a [0,1,0,0,0,1|2,0,0]=4 555 B14R1.547 CCC(CC)COc1cccc(c1)C eead5a6a6d19738e547b724664184d32 [0,1,0,0,0,1|2,0,0]=4 556 B14R1.547 CCC(CC)COc1cccc(c1)Cl 7ee626611161760d6893534e5713b9ac [0,1,0,0,0,1|2,0,0]=4 557 B14R1.547 CCC(CC)COc1cccc(c1)F 1d8b4e98365b8579bc53674c33bde385 [0,1,0,0,0,1|2,0,0]=4 558 B14R1.547 CCC(CC)COc1cccc(c1)I 5da1994962fa352d3233c15c0677923d [0,1,0,0,0,1|2,0,0]=4 559 B14R1.547 CCC(CC)COc1cccc(c1)S a277f781f01ed11e2eb8b01d46d33e41 [0,1,0,0,0,1|2,0,0]=4 560 B14R1.547 CCC(CC)NCc1cccc(c1)Br 76889806d0fef0d83a891755b28ead9b [0,1,0,0,0,1|2,0,0]=4 561 B14R1.547 CCC(CC)NCc1cccc(c1)C 559e504c2597b60a841426a1091948a4 [0,1,0,0,0,1|2,0,0]=4 562 B14R1.547 CCC(CC)NCc1cccc(c1)Cl ba1a6bedd7c65104403b1e9eef401ab6 [0,1,0,0,0,1|2,0,0]=4 563 B14R1.547 CCC(CC)NCc1cccc(c1)F 3ad2b295e511d4adb749f7e3eca52feb [0,1,0,0,0,1|2,0,0]=4 564 B14R1.547 CCC(CC)NCc1cccc(c1)I ce5016378f477b99fbeaece5e2b4c718 [0,1,0,0,0,1|2,0,0]=4 565 B14R1.547 CCC(CC)OCc1cccc(c1)Br efbedee55f5247d17cf0582d28ea4d0b [0,1,0,0,0,1|2,0,0]=4 566 B14R1.547 CCC(CC)OCc1cccc(c1)C cdf03e614d67c0ba3c1de6277ac850a2 [0,1,0,0,0,1|2,0,0]=4 567 B14R1.547 CCC(CC)OCc1cccc(c1)Cl 251f9f1bc7a8b51a66f055e4afcc443c [0,1,0,0,0,1|2,0,0]=4 568 B14R1.547 CCC(CC)OCc1cccc(c1)F 8cc735ea9769b1c95df8c76e4040fe90 [0,1,0,0,0,1|2,0,0]=4 569 B14R1.547 CCC(CC)OCc1cccc(c1)I fa66a988024788092ac158f415c06545 [0,1,0,0,0,1|2,0,0]=4 570 B14R1.547 COC(CNc1cc(ccn1)Br)OC 5bf3a56b7ad27077ec9ff96733baa89a [0,1,0,0,0,1|1,0,0]=3 571 B14R1.547 COC(CNc1cc(ccn1)C)OC a206d16e79bf927c6dce00886e328c46 [0,1,0,0,0,1|1,0,0]=3 572 B14R1.547 COC(CNc1cc(ccn1)Cl)OC b6d3f87903e45a4f416753f8fcb2be7f [0,1,0,0,0,1|1,0,0]=3 573 B14R1.547 COC(CNc1cc(ccn1)F)OC b4a8d3ba188d1ab4c85540f3de39819c [0,1,0,0,0,1|1,0,0]=3 574 B14R1.547 COC(CNc1cc(ccn1)I)OC 1c24ee0eee8041d0d78516454fcb403c [0,1,0,0,0,1|1,0,0]=3 575 B14R1.547 COC(CNc1cc(cnn1)Br)OC 8c83c090e3d33be61b585f74e226bd08 [0,1,0,0,0,1|2,0,0]=4 576 B14R1.547 COC(CNc1cc(cnn1)C)OC d14247daf5d4cbd60cf5a63aae06aaea [0,1,0,0,0,1|2,0,0]=4 577 B14R1.547 COC(CNc1cc(cnn1)Cl)OC 525ff4513b898da22426b7d574bbccd5 [0,1,0,0,0,1|2,0,0]=4 578 B14R1.547 COC(CNc1cc(ncn1)Br)OC 555acf0e978ad86ed8bfdf81de6e7e2a [0,1,0,0,0,1|2,0,0]=4 579 B14R1.547 COC(CNc1cc(ncn1)C)OC ef802c94325a6b2d27ab262f790f109a [0,1,0,0,0,1|2,0,0]=4 580 B14R1.547 COC(CNc1cc(ncn1)Cl)OC e4fdc9a22595a0a332107e2264c202ef [0,1,0,0,0,1|2,0,0]=4 581 B14R1.547 COC(CNc1cc(ncn1)F)OC d0a05542b78614d3f47bd42442628fe0 [0,1,0,0,0,1|2,0,0]=4 582 B14R1.547 COC(CNc1cc(ncn1)I)OC 9edf90aec9dc36e879f36a85fd43d470 [0,1,0,0,0,1|2,0,0]=4 583 B14R1.547 COC(CNc1cc[nH]c(=O)n1)OC 6f9b92b070226f6dc4d06ec06c00375e [0,1,0,0,0,1|2,0,0]=4 584 B14R1.547 COC(CNc1cc[nH]c(=S)c1)OC 85a344c7dfcc4f7c01192fce51e755f3 [0,1,0,0,0,1|1,0,0]=3 585 B14R1.547 COC(CNc1cccc(c1)Br)OC ddcafa92b72cfc4a2dd7c77c78fd20f4 [0,1,0,0,0,1|0,0,0]=2 586 B14R1.547 COC(CNc1cccc(c1)C)OC fd40f4d83f374ab471fb9bb890cf9c33 [0,1,0,0,0,1|0,0,0]=2 587 B14R1.547 COC(CNc1cccc(c1)Cl)OC 7101a9d2e186322511a1878d702488fb [0,1,0,0,0,1|0,0,0]=2 588 B14R1.547 COC(CNc1cccc(c1)F)OC 3a58f28f50295e8c222b81af5879e3d8 [0,1,0,0,0,1|0,0,0]=2 589 B14R1.547 COC(CNc1cccc(c1)I)OC ec78b65361c00ad1754f3725d49bbbb4 [0,1,0,0,0,1|0,0,0]=2 590 B14R1.547 COC(CNc1cccc(c1)S)OC accca9ccc4cff45ce127409b87248d28 [0,1,0,0,0,1|0,0,0]=2 591 B14R1.547 COC(CNc1cccc(n1)Br)OC d9971963976d76ef71a1c7b87ccbe0d9 [0,1,0,0,0,1|1,0,0]=3 592 B14R1.547 COC(CNc1cccc(n1)C)OC ce7668c5473fdda0ecfc98d04d5db1f7 [0,1,0,0,0,1|1,0,0]=3 593 B14R1.547 COC(CNc1cccc(n1)Cl)OC 5c68f85232c8de63b5acd6be973f7f2b [0,1,0,0,0,1|1,0,0]=3 594 B14R1.547 COC(CNc1cccc(n1)F)OC a37956fc6c3f35fe425c9293dad0b5ac [0,1,0,0,0,1|1,0,0]=3 595 B14R1.547 COC(CNc1cccc(n1)I)OC 110c6ed400ebb8d87b51f4e77fa91ac3 [0,1,0,0,0,1|1,0,0]=3 596 B14R1.547 COC(CNc1ccnc(c1)Br)OC d8a2dad5fb8ca9b82ce2129af37efc57 [0,1,0,0,0,1|1,0,0]=3 597 B14R1.547 COC(CNc1ccnc(c1)C)OC fca8581941814012b2158e5047dfdb01 [0,1,0,0,0,1|1,0,0]=3 598 B14R1.547 COC(CNc1ccnc(c1)Cl)OC 5aefb5c958f23fba66b28dfaa154e882 [0,1,0,0,0,1|1,0,0]=3 599 B14R1.547 COC(CNc1ccnc(c1)F)OC 51fb9e26c8187b7450f1d4162e8794e1 [0,1,0,0,0,1|1,0,0]=3 600 B14R1.547 COC(CNc1ccnc(c1)I)OC 9d2bf544383c27966e5fa65d7fd9800c [0,1,0,0,0,1|1,0,0]=3 601 B14R1.547 COC(CNc1ccnc(n1)Br)OC ed6c854a661aa01a91502cf7afdc0311 [0,1,0,0,0,1|2,0,0]=4 602 B14R1.547 COC(CNc1ccnc(n1)C)OC ef44cfcc7cf16b264c1161e5f4d8e31f [0,1,0,0,0,1|2,0,0]=4 603 B14R1.547 COC(CNc1ccnc(n1)Cl)OC 0f0ff80e507e6379a0ed278c6cad9793 [0,1,0,0,0,1|2,0,0]=4 604 B14R1.547 COC(CNc1ccnc(n1)F)OC 49e150eac7a6df05467f5b8dccdcc82f [0,1,0,0,0,1|2,0,0]=4 605 B14R1.547 COC(CNc1ccnc(n1)S)OC 85a41fe3f407991942bb550518749409 [0,1,0,0,0,1|2,0,0]=4 606 B14R1.547 COC(CNc1cn[nH]c(=O)c1)OC 2a37b744a544b0e246906090ebd98d82 [0,1,0,0,0,1|2,0,0]=4 607 B14R1.547 COC(CNc1cncc(c1)Br)OC 92cc0da7917f53f7e7504ed7c450aadc [0,1,0,0,0,1|1,0,0]=3 608 B14R1.547 COC(CNc1cncc(c1)C)OC 59827ec022d9353a36aaf8b2d98205be [0,1,0,0,0,1|1,0,0]=3 609 B14R1.547 COC(CNc1cncc(c1)Cl)OC e2d7ec091e7d9702e2dcbc9337b8c19a [0,1,0,0,0,1|1,0,0]=3 610 B14R1.547 COC(CNc1cncc(c1)F)OC ed4c7706545dc6d9b8800464544e7281 [0,1,0,0,0,1|1,0,0]=3 611 B14R1.547 COC(CNc1cncc(c1)I)OC 42356891d6b444baec4663ff7ca31498 [0,1,0,0,0,1|1,0,0]=3 612 B14R1.547 COC(CNc1cncc(n1)Br)OC 6a838a5b2e5da466b8e037f6da194e62 [0,1,0,0,0,1|2,0,0]=4 613 B14R1.547 COC(CNc1cncc(n1)C)OC cf2a3d73f65d49124487d6af69804b50 [0,1,0,0,0,1|2,0,0]=4 614 B14R1.547 COC(CNc1cncc(n1)Cl)OC db433911a24d1e6b11a1ab0a0c994f65 [0,1,0,0,0,1|2,0,0]=4 615 B14R1.547 COC(CNc1cncc(n1)F)OC 8de2510bd3b3b5e164a6225e13a6f434 [0,1,0,0,0,1|2,0,0]=4 616 B14R1.547 COC(CNc1cnnc(c1)Cl)OC 6cce51ebc6ef63570e32d5050ea7cd7d [0,1,0,0,0,1|2,0,0]=4 617 B14R1.547 COC(CNc1cnnc(c1)F)OC 3bf809ac38113db2e2e27ce55d3ea69f [0,1,0,0,0,1|2,0,0]=4 618 B14R1.547 COC(CNc1nccc(=O)[nH]1)OC e8207389850d9cb0e4861205908bd1c1 [0,1,0,0,0,1|2,0,0]=4 619 B14R1.547 COC(CNc1nccc(n1)Br)OC f4464c91c2754767a7ec02bb6cd1431e [0,1,0,0,0,1|2,0,0]=4 620 B14R1.547 COC(CNc1nccc(n1)C)OC fd06796e00988f86fe0ae8ecbb1c8f89 [0,1,0,0,0,1|2,0,0]=4 621 B14R1.547 COC(CNc1nccc(n1)Cl)OC adfdaa1c335495a66eb8aa1cca0e710c [0,1,0,0,0,1|2,0,0]=4 622 B14R1.547 COC(CNc1nccc(n1)F)OC 962b7138309e5a2c00e4576c1feb1012 [0,1,0,0,0,1|2,0,0]=4 623 B14R1.547 COC(CNc1nccc(n1)I)OC c297bca4f52e267c0ba1808327be1f7a [0,1,0,0,0,1|2,0,0]=4 624 B14R1.547 COC(CNc1nccc(n1)S)OC d7c1352917ac73295bbe0f72b27d6f7c [0,1,0,0,0,1|2,0,0]=4 625 B14R1.547 COC(COc1cc(ccn1)Br)OC 808c72324008e426223b3b7807ab5031 [0,1,0,0,0,1|1,0,0]=3 626 B14R1.547 COC(COc1cc(ccn1)C)OC e46c969a02c0a3a7719246c11c5addaf [0,1,0,0,0,1|1,0,0]=3 627 B14R1.547 COC(COc1cc(ccn1)Cl)OC bd765565181042c99a861f5483662d82 [0,1,0,0,0,1|1,0,0]=3 628 B14R1.547 COC(COc1cc(ccn1)F)OC e7750e6f1a367ff0de4daf926aa364cf [0,1,0,0,0,1|1,0,0]=3 629 B14R1.547 COC(COc1cc(ncn1)Br)OC 81f1b2677c8d351d0a2938eccd042143 [0,1,0,0,0,1|2,0,0]=4 630 B14R1.547 COC(COc1cc(ncn1)C)OC a06532749b74af82ba45d058f138a384 [0,1,0,0,0,1|2,0,0]=4 631 B14R1.547 COC(COc1cc(ncn1)Cl)OC 3a2afeee02786e024740dc742f5f7e8f [0,1,0,0,0,1|2,0,0]=4 632 B14R1.547 COC(COc1ccc[n+](c1)[O-])OC 0af9a8573b0a9b51d1c96942d0daadd8 [0,1,0,0,0,1|1,0,0]=3 633 B14R1.547 COC(COc1cccc(=O)[nH]1)OC afaf2936e83f2b5d50a5555604cf4be3 [0,1,0,0,0,1|1,0,0]=3 634 B14R1.547 COC(COc1cccc(c1)Br)OC f716ee4ebebc7b5ab2a2a1f100141b02 [0,1,0,0,0,1|0,0,0]=2 635 B14R1.547 COC(COc1cccc(c1)C)OC b6e9002084ddc6d3476d28ceba07061d [0,1,0,0,0,1|0,0,0]=2 636 B14R1.547 COC(COc1cccc(c1)Cl)OC f094248dc341f5a5dc75e2484d24393c [0,1,0,0,0,1|0,0,0]=2 637 B14R1.547 COC(COc1cccc(c1)F)OC 9cf1225cd2b9035f33cd55606784ab03 [0,1,0,0,0,1|0,0,0]=2 638 B14R1.547 COC(COc1cccc(c1)I)OC 4ae9510a1c0d16ad859d880701ce39e8 [0,1,0,0,0,1|0,0,0]=2 639 B14R1.547 COC(COc1cccc(c1)S)OC 2bb751e7fc62d730528ccbe60ac6609f [0,1,0,0,0,1|0,0,0]=2 640 B14R1.547 COC(COc1cccc(n1)Br)OC 7ff0b271b2dc689cba9de2bdab4b1d02 [0,1,0,0,0,1|1,0,0]=3 641 B14R1.547 COC(COc1cccc(n1)C)OC 83d340dd3bd35c004acbc4ac55ea309d [0,1,0,0,0,1|1,0,0]=3 642 B14R1.547 COC(COc1cccc(n1)F)OC f00901171bcd1447bb69743128ee3c36 [0,1,0,0,0,1|1,0,0]=3 643 B14R1.547 COC(COc1ccnc(c1)Br)OC 1b3d43c95804051b54ab5b7eaa411da5 [0,1,0,0,0,1|1,0,0]=3 644 B14R1.547 COC(COc1ccnc(c1)C)OC cf67a9641e71e93578ba90239b46f463 [0,1,0,0,0,1|1,0,0]=3 645 B14R1.547 COC(COc1ccnc(c1)Cl)OC b3a7b5c5bd64f9969acb07c80c800366 [0,1,0,0,0,1|1,0,0]=3 646 B14R1.547 COC(COc1ccnc(c1)F)OC 15c50c53bd08c9e4c9e3d460ba21e66f [0,1,0,0,0,1|1,0,0]=3 647 B14R1.547 COC(COc1ccnc(n1)C)OC 6adbe2ed3d8d27a63e70d78408fab4ec [0,1,0,0,0,1|2,0,0]=4 648 B14R1.547 COC(COc1ccnc(n1)Cl)OC d61737da3745773ecc437406727616be [0,1,0,0,0,1|2,0,0]=4 649 B14R1.547 COC(COc1cncc(c1)C)OC c564afc29be981ce59ac7ac292c183af [0,1,0,0,0,1|1,0,0]=3 650 B14R1.547 COC(COc1cncc(c1)Cl)OC cb0467ae9d91e8ec7b6f2cf4e237747b [0,1,0,0,0,1|1,0,0]=3 651 B14R1.547 COC(COc1cncc(c1)F)OC 3593e42d2f45de528da96113b95f2020 [0,1,0,0,0,1|1,0,0]=3 652 B14R1.547 COC(COc1cncc(c1)I)OC c1b273fbf1d6525d0b70082eff82d77d [0,1,0,0,0,1|1,0,0]=3 653 B14R1.547 COC(COc1cncc(n1)Br)OC b2a5c3179f691fcff06f438ad3f53a97 [0,1,0,0,0,1|2,0,0]=4 654 B14R1.547 COC(COc1cncc(n1)C)OC ed192a1f635df658fb2eabb61ac43ff3 [0,1,0,0,0,1|2,0,0]=4 655 B14R1.547 COC(COc1cncc(n1)Cl)OC 61204d2859d6359c19cc39a459b2c0e6 [0,1,0,0,0,1|2,0,0]=4 656 B14R1.547 COC(COc1cnnc(c1)Cl)OC 8ac2030ceb51f2e7e608fa05817ccae7 [0,1,0,0,0,1|2,0,0]=4 657 B14R1.547 COC(COc1nccc(n1)Cl)OC d912737b3849cce5925fab324517bd3b [0,1,0,0,0,1|2,0,0]=4 658 B14R1.547 COC(COc1nccc(n1)S)OC 6ea23fcc9c4905a9464ecb685ac2e05d [0,1,0,0,0,1|2,0,0]=4 659 B14R1.547 CO[C@@H](CO)CNc1cccc(c1)C 4f76709b1bfa553d83e8f3faa85e9f97 [0,1,0,0,0,1|2,0,0]=4 660 B14R1.547 CO[C@@H](CO)CNc1cccc(c1)F b72747ed01cadf68b1abfca12430c964 [0,1,0,0,0,1|2,0,0]=4 661 B14R1.547 CO[C@@H](CO)CNc1cccc(c1)S 6758742d98eba5ecba763f0dc488b038 [0,1,0,0,0,1|2,0,0]=4 662 B14R1.979 CCC(C#Cc1ccccc1)OCF 207a9eb3999d4991358a8413a0310da8 [0,1,0,0,0,1|1,0,1]=4 663 B14R1.979 CCC(COC)NCc1ccccc1 2eb0b6bb04efb5850ca6ff522ffe44ba [0,1,0,0,0,1|1,0,0]=3 664 B14R1.979 CCC(COC)NCc1ccccn1 048937b207925754ea2ab39b29d35e53 [0,1,0,0,0,1|2,0,0]=4 665 B14R1.979 CCC(COC)NCc1cccnc1 0ebd6404c9287804f734b8565460f375 [0,1,0,0,0,1|2,0,0]=4 666 B14R1.979 CCC(COC)OCc1ccccc1 c95983251c0c54fe5b698fc178abfdb6 [0,1,0,0,0,1|1,0,0]=3 667 B14R1.979 CCC(COC)OCc1ccccn1 4c1ff2125de7c852ad2ebb91d081a294 [0,1,0,0,0,1|2,0,0]=4 668 B14R1.979 CCC(COC)OCc1cccnc1 fe1bedbd3fd614717074c66da079c801 [0,1,0,0,0,1|2,0,0]=4 669 B14R1.979 CCC(CSC)OCc1ccccc1 2d241b0422a5061c29efc5c76b67c8bb [0,1,0,0,0,1|1,1,0]=4 670 B14R1.979 CCCC(CC)NCc1ccccc1 1dc4803ab559565ff5d5d64d99e6a972 [0,1,0,0,0,1|2,0,0]=4 671 B14R1.979 CCCC(CC)OCc1ccccc1 d8e740b7860c212c0b97f3573932b8fe [0,1,0,0,0,1|2,0,0]=4 672 B14R1.979 CCC[C@@H](CC)OCc1ccccc1 9bf29e31675dc7867fd5028264b0594a [0,1,0,0,0,1|2,0,0]=4 673 B14R1.979 CCOC(C#Cc1ccccc1)CC b1eb7324dbf16592a4201ae200e4b9f9 [0,1,0,0,0,1|1,0,1]=4 674 B14R1.979 CCOC(CC)CNc1ccccc1 2b432744227f5f77a42578de27ba85f0 [0,1,0,0,0,1|1,0,0]=3 675 B14R1.979 CCOC(CC)CNc1ccccn1 146b33d4a4a5ae60d999e8b4918ff914 [0,1,0,0,0,1|2,0,0]=4 676 B14R1.979 CCOC(CC)CNc1cccnc1 25bed6c747e8bb7ac77657fbf40b50ec [0,1,0,0,0,1|2,0,0]=4 677 B14R1.979 CCOC(CC)CNc1ccncc1 149f1b7617168a64a541673ea1feef70 [0,1,0,0,0,1|2,0,0]=4 678 B14R1.979 CCOC(CC)COc1ccccn1 c370b9bcd6310d72633d5ea4213df478 [0,1,0,0,0,1|2,0,0]=4 679 B14R1.979 CCOC(CC)COc1cccnc1 5b7f73b25c25bb4b43ccc63a2d602b9e [0,1,0,0,0,1|2,0,0]=4 680 B14R1.979 CCOC(CC)COc1ccncc1 271f77bdfa862119ab26bcf6d3484cbf [0,1,0,0,0,1|2,0,0]=4 681 B14R1.979 CCOC(CF)COc1ccccc1 22d17523e141630e9793713391705122 [0,1,0,0,0,1|2,0,0]=4 682 B14R1.979 COCC(CO)NCc1ccccc1 255ca0f94a744e069cd04ed052e1d682 [0,1,0,0,0,1|2,0,0]=4 683 B14R1.979 FCOC(CF)COc1ccccc1 92891f7a91c979fe2dcb49b9bb37a30b [0,1,0,0,0,1|2,0,0]=4 684 B14R1.2928 CCC(C)(CC)NCc1ccccc1 ce5510fe89a48efb090adc0daac72fcf [0,1,0,0,0,1|2,0,0]=4 685 B14R1.2928 CCC(O)(CC)CNc1ccccc1 2dbdac932b9038c0ab743f988c71c365 [0,1,0,0,0,1|2,0,0]=4 686 B14R1.2928 COC(C)(CNc1ccccc1)OC e4f7a542a4f1abdc572eed24288af89c [0,1,0,0,0,1|0,0,0]=2 687 B14R1.2928 COC(C)(CNc1ccccn1)OC 6c61578a7ce64ccd2cb4907bdd9ff0e7 [0,1,0,0,0,1|1,0,0]=3 688 B14R1.2928 COC(C)(CNc1cccnc1)OC 682b789c37e3715347a8c649cd47325d [0,1,0,0,0,1|1,0,0]=3 689 B14R1.2928 COC(C)(CNc1cccnn1)OC fb792c04f2f31246c8f67ea7765f7382 [0,1,0,0,0,1|2,0,0]=4 690 B14R1.2928 COC(C)(CNc1ccncc1)OC 8963691ffe616b29bac6c8d5f97fc663 [0,1,0,0,0,1|1,0,0]=3 691 B14R1.2928 COC(C)(CNc1ccncn1)OC 0091e2bf02f7356c9d222061f04bd111 [0,1,0,0,0,1|2,0,0]=4 692 B14R1.2928 COC(C)(CNc1ccnnc1)OC 44c53f4a40955902f62011a5d6fca169 [0,1,0,0,0,1|2,0,0]=4 693 B14R1.2928 COC(C)(CNc1cnccn1)OC c712675eef2b4021c41cfa6756af2663 [0,1,0,0,0,1|2,0,0]=4 694 B14R1.2928 COC(C)(CNc1cncnc1)OC aba48f05a8601a8325ee12ec126f77f8 [0,1,0,0,0,1|2,0,0]=4 695 B14R1.2928 COC(C)(CNc1ncccn1)OC 4251f859036ba66efb9cefb4c76e61e1 [0,1,0,0,0,1|2,0,0]=4 696 B14R1.2928 COC(C)(COc1ccccn1)OC 9e2f16277b52e42500d96cf17ce8b550 [0,1,0,0,0,1|1,0,0]=3 697 B14R1.2928 COC(C)(COc1cccnc1)OC 60d9c6cbffab3b9ddaa7e31f0d174d29 [0,1,0,0,0,1|1,0,0]=3 698 B14R1.2928 COC(C)(COc1ccncc1)OC 4e933dbe229261716747aba37ac8b421 [0,1,0,0,0,1|1,0,0]=3 699 B14R1.2928 COC(C)(COc1ccnnc1)OC 2daba0ca9ceaed3f69835fd2d7495124 [0,1,0,0,0,1|2,0,0]=4 700 B14R1.2928 COC(C)(COc1cnccn1)OC b6504769c9cbeed781600b941cb654aa [0,1,0,0,0,1|2,0,0]=4 701 B14R1.2928 COC(C)(COc1cncnc1)OC 4087bf005a5652d210391fa2fbaf0733 [0,1,0,0,0,1|2,0,0]=4 702 B14R1.2928 COC(C)(COc1ncccn1)OC 12dda96d9a9cd2e6f489861dc07908c3 [0,1,0,0,0,1|2,0,0]=4 703 B14R1.4194 CCC(CNc1ccccc1)N(C)C 72ac5ef6eb93876dd7798620bb3e9cea [0,1,0,0,0,1|2,0,0]=4 704 B14R1.4194 CCC(NCc1ccccc1)C(C)C aa4417437b1d37cb66be6a9cc7b202f0 [0,1,0,0,0,1|2,0,0]=4 705 B14R1.4194 CCC(OCc1ccccc1)C(C)C a7a3361ac4b2b509377de6d5268c93c2 [0,1,0,0,0,1|2,0,0]=4 706 B14R1.4194 CC[C@@H](NCc1ccccc1)[C@@H](C)O 393151c3e2cd03a33966811eedc8521b [0,1,0,0,0,1|2,0,0]=4 707 B14R1.4194 CC[C@@H](NCc1ccccc1)[C@H](C)O 5b3d005d7686e23cbe116b0879fde352 [0,1,0,0,0,1|2,0,0]=4 708 B14R1.4194 CC[C@H](NCc1ccccc1)[C@@H](C)O cbe8e79961d566c0d771b3611334abf1 [0,1,0,0,0,1|2,0,0]=4 709 B14R1.72 CCC(COC)Nc1ccc(cc1)S b46d86c93f92d2949eadeb6019d919f1 [0,2,0,0,0,0|2,0,0]=4 710 B14R1.72 CCC(Cc1ccc(cc1)F)NCF b63d41d92d5d3f06a6d763ef9247e0e1 [0,2,0,0,0,0|2,0,0]=4 711 B14R1.72 CCC(Cc1ccc(cc1)F)NCO 688010ef7d511edc7b8167eb1705e9b6 [0,2,0,0,0,0|2,0,0]=4 712 B14R1.72 CCN(COC)Cc1ccc(cc1)Br 8876b1a740b0b376a951077f3f7ded16 [0,2,0,0,0,0|2,0,0]=4 713 B14R1.72 CCN(COC)Cc1ccc(cc1)C cd69e090401fcdbb7fbbb7018ef63fea [0,2,0,0,0,0|2,0,0]=4 714 B14R1.72 CCN(COC)Cc1ccc(cc1)Cl eaa3563ae6c24ed71d6c25a9598e1c72 [0,2,0,0,0,0|2,0,0]=4 715 B14R1.72 CCN(COC)Cc1ccc(cc1)F 001a042a2f9ee0663e46a0402977cf93 [0,2,0,0,0,0|2,0,0]=4 716 B14R1.72 CCNC(CC)Cc1ccc(cc1)F 2f92a7a0df8a3bdbcd6b2e176b148dd0 [0,2,0,0,0,0|2,0,0]=4 717 B14R1.73 CCC(COC)Nc1cccc(c1)C 8ea6b33a13fbd57172cbe961cded4f49 [0,2,0,0,0,0|2,0,0]=4 718 B14R1.73 CCC(Cc1cccc(c1)Cl)OCF 8291ca8a0ddc95c373304655c1ce139d [0,2,0,0,0,0|1,0,0]=3 719 B14R1.73 CCN(COC)Cc1cccc(c1)Cl 9fa4157d9ec9cabfcf3d44ab334f33a7 [0,2,0,0,0,0|2,0,0]=4 720 B14R1.73 CCN(COC)Cc1cccc(c1)F 3bc7bb9fab1f77dae0e00a046975a77b [0,2,0,0,0,0|2,0,0]=4 721 B14R1.73 CCN(COC)Cc1cccc(c1)I 4c7d57e6bbf3f0f6071b0062bff75d8c [0,2,0,0,0,0|2,0,0]=4 722 B14R1.73 CCOC(CC)Cc1cccc(c1)Cl 76d06b8593120caedddae95e172bbfe7 [0,2,0,0,0,0|1,0,0]=3 723 B14R1.210 CCC(COC)Nc1ccccc1F 848bef47de664badd2e66b2ddeb703f4 [0,2,0,0,0,0|2,0,0]=4 724 B14R1.210 CCN(COC)Cc1ccccc1C a483a2c3625cc9c94dd1f91412a5549c [0,2,0,0,0,0|2,0,0]=4 725 B14R1.210 CCN(COC)Cc1ccccc1F 3f4274ddb26476bb01a87657484dfe3b [0,2,0,0,0,0|2,0,0]=4 726 B14R1.467 C#CC(Cc1ccccc1)OCC#N b20b1eb174beb72f13078478546f1eb6 [0,2,0,0,0,0|1,0,1]=4 727 B14R1.467 C#CC(Cc1ccccc1)OCC=C 854bf0543a953f23355c0a067f473a77 [0,2,0,0,0,0|1,0,1]=4 728 B14R1.467 C#CC(Cc1ccccc1)OCC=O 33fb2f0b03faa5074214b998c84edaa0 [0,2,0,0,0,0|1,0,1]=4 729 B14R1.467 C#CC(Cc1ccccc1)OCCC a7f023914869f839e752d48070038cde [0,2,0,0,0,0|1,0,1]=4 730 B14R1.467 C#CC(Cc1ccccc1)OCCF 2a244b0ddad606ac4a03a571af837682 [0,2,0,0,0,0|1,0,1]=4 731 B14R1.467 C#CC(Cc1ccccc1)OCCS aad2824586de0ef4404d2658232fb782 [0,2,0,0,0,0|1,0,1]=4 732 B14R1.467 C#CC(Cc1ccccc1)OCOC 6b2704f112231ed2d5fcd1c5bc67e367 [0,2,0,0,0,0|1,0,1]=4 733 B14R1.467 C#CC(Cc1ccccc1)OCSC 600d2cda88985deb50d8aa2aa5a1c58f [0,2,0,0,0,0|1,0,1]=4 734 B14R1.467 C#CCNC(CC)Cc1ccccc1 fa546ee1fbaa34421f8476489a536aaa [0,2,0,0,0,0|2,0,0]=4 735 B14R1.467 C#CCOC(C#C)Cc1ccccc1 c43e272091e0d3cb8b0c6783af26a6cb [0,2,0,0,0,0|1,0,1]=4 736 B14R1.467 C#CCOC(CC)Cc1ccccn1 379b8676b628e8c2b998ed5b21e0e1d3 [0,2,0,0,0,0|2,0,0]=4 737 B14R1.467 C=CCNC(CC)Cc1ccccc1 d5afa207dc006663799350d6bbdb50f3 [0,2,0,0,0,0|2,0,0]=4 738 B14R1.467 C=CCOC(CC)Cc1ccccc1 6b69b40843edfcf01a581944e682d5db [0,2,0,0,0,0|1,0,0]=3 739 B14R1.467 C=CCOC(CC)Cc1ccccn1 cfbf3fbe3d7a11a0da601b8f4ca3593c [0,2,0,0,0,0|2,0,0]=4 740 B14R1.467 CCC(Cc1ccccc1)NCC#N 047599493206cf2bfe305a451e533172 [0,2,0,0,0,0|2,0,0]=4 741 B14R1.467 CCC(Cc1ccccc1)NCC=O 528791b240f6cb13a502e007ecf3b05d [0,2,0,0,0,0|2,0,0]=4 742 B14R1.467 CCC(Cc1ccccc1)NCCF 29053fec9d928b35441036247459c689 [0,2,0,0,0,0|2,0,0]=4 743 B14R1.467 CCC(Cc1ccccc1)NCCO da05fa3293e3e247b743f2cb352f4f83 [0,2,0,0,0,0|2,0,0]=4 744 B14R1.467 CCC(Cc1ccccc1)NCCS 70761abd9051e7b6a9e96ce8210c520e [0,2,0,0,0,0|2,0,0]=4 745 B14R1.467 CCC(Cc1ccccc1)NCOC 6a78d62c1b2eedcd8fc16a308d25c459 [0,2,0,0,0,0|1,0,0]=3 746 B14R1.467 CCC(Cc1ccccc1)NCSC d5c9a08aab461a1630da63771281bbb7 [0,2,0,0,0,0|1,1,0]=4 747 B14R1.467 CCC(Cc1ccccc1)OCC#N e57125860a7347c0cf2192ee616321b5 [0,2,0,0,0,0|1,0,0]=3 748 B14R1.467 CCC(Cc1ccccc1)OCC=O 7eef0be48285cb2de862182f1852daa3 [0,2,0,0,0,0|1,0,0]=3 749 B14R1.467 CCC(Cc1ccccc1)OCCF 0559149a1c625e3035500131442b0ae3 [0,2,0,0,0,0|1,0,0]=3 750 B14R1.467 CCC(Cc1ccccc1)OCCS ca27b2717343e4f01c19ec5f9efd9b26 [0,2,0,0,0,0|1,0,0]=3 751 B14R1.467 CCC(Cc1ccccc1)OCSC cf846ef66a04e4be2b18965fa9ae3dd9 [0,2,0,0,0,0|1,0,0]=3 752 B14R1.467 CCC(Cc1ccccn1)OCC#N ad43537b30c177f10247215517a7802b [0,2,0,0,0,0|2,0,0]=4 753 B14R1.467 CCC(Cc1ccccn1)OCC=O 5a6d6470174de11a03ec0f32000ccded [0,2,0,0,0,0|2,0,0]=4 754 B14R1.467 CCC(Cc1ccccn1)OCCF 5677aada837c79e4f8cc32b5d0b9ced1 [0,2,0,0,0,0|2,0,0]=4 755 B14R1.467 CCC(Cc1ccccn1)OCCS 5d94eee15fccac1e01a082d1ee27ea96 [0,2,0,0,0,0|2,0,0]=4 756 B14R1.467 CCC(Cc1ccccn1)OCOC 41d9ce20d3a2667f5d7c799be7243520 [0,2,0,0,0,0|2,0,0]=4 757 B14R1.467 CCC(Cc1ccccn1)OCSC a1c8349e61e9a496e07d897c415196e6 [0,2,0,0,0,0|2,0,0]=4 758 B14R1.467 CCCNC(CC)Cc1ccccc1 ce4ae77e15e7c2f3c893cdcb23d6da89 [0,2,0,0,0,0|2,0,0]=4 759 B14R1.467 CCCOC(CC)Cc1ccccc1 bbe5b084546d65ee4d91fa93bec55d83 [0,2,0,0,0,0|1,0,0]=3 760 B14R1.467 CCCOC(CC)Cc1ccccn1 e7a34b34e491c2f5111d36418fae9fed [0,2,0,0,0,0|2,0,0]=4 761 B14R1.467 CCN(CCOC)Cc1ccccc1 a6f0499bea8fc1e43b55539b6f008fde [0,2,0,0,0,0|2,0,0]=4 762 B14R1.467 CCOCC(C#N)Cc1ccccc1 81302de3d3a064457b71334a323c8037 [0,2,0,0,0,0|2,0,0]=4 763 B14R1.467 COCNC(C#N)Cc1ccccc1 f7f289a6466aa2960af6f3dc754c4ce9 [0,2,0,0,0,0|2,0,0]=4 764 B14R1.467 COCNC(CO)Cc1ccccc1 f421898f1aac5165206a2ecf31276119 [0,2,0,0,0,0|2,0,0]=4 765 B14R1.467 COCN[C@@H](CO)Cc1ccccc1 026df76c950494e5a3114ada2e6afd0e [0,2,0,0,0,0|2,0,0]=4 766 B14R1.467 COCN[C@H](CO)Cc1ccccc1 5984322a468b7173a6066e9a311c5f6e [0,2,0,0,0,0|2,0,0]=4 767 B14R1.467 N#CC(COCF)Cc1ccccc1 9e52659c3828c3479fd68978317168e5 [0,2,0,0,0,0|2,0,0]=4 768 B14R1.494 COCC(CCO)Nc1ccccc1 fc34db52ccdfa562a67e7f0acc4f0cda [0,2,0,0,0,0|2,0,0]=4 769 B14R1.494 COCC(COC)Nc1ccccc1 5936918f15e066bbd2e05c96a84886c7 [0,2,0,0,0,0|1,0,0]=3 770 B14R1.494 COCC(COC)Nc1cccnc1 0ed31a61d449ccb4250562d95e0bbe41 [0,2,0,0,0,0|2,0,0]=4 771 B14R1.494 COCC(Cc1ccccc1)NC=O 0a46eeb39ec7aee8bf204d9aeb450ef2 [0,2,0,0,0,0|1,0,1]=4 772 B14R1.494 COCC(Cc1ccccc1)NCF a2e67e30d3581ffcfac3bb9791715abd [0,2,0,0,0,0|1,0,0]=3 773 B14R1.494 COCC(Cc1ccccc1)NCO 1cd0fd88f0b1ba8520d53d2c5ae1d600 [0,2,0,0,0,0|1,0,0]=3 774 B14R1.494 COCN(CCCl)Cc1ccccc1 7ca2134cc43df0dd46916a1f67c6aa78 [0,2,0,0,0,0|2,0,0]=4 775 B14R1.494 COCN(CCO)Cc1ccccc1 3cd7725afcdf004fc1aa922932b3112f [0,2,0,0,0,0|2,0,0]=4 776 B14R1.494 COC[C@@H](Cc1ccccc1)NC=O 3247167852d70a05a70b4341a7572ec6 [0,2,0,0,0,0|1,0,1]=4 777 B14R1.494 COC[C@@H](Cc1ccccc1)NCF 74e1d7ea7019b90eaf21726ee3544441 [0,2,0,0,0,0|1,0,0]=3 778 B14R1.494 COC[C@@H](Cc1ccccc1)NCO 4ba60babbfbd632932f957893affaded [0,2,0,0,0,0|1,0,0]=3 779 B14R1.494 COC[C@H](Cc1ccccc1)NC=O 7ab88b3bab50f1d965745f3b0cc164d4 [0,2,0,0,0,0|1,0,1]=4 780 B14R1.494 COC[C@H](Cc1ccccc1)NCF 4dd776eb0a62d3227aaa89324d0ab67d [0,2,0,0,0,0|1,0,0]=3 781 B14R1.494 COC[C@H](Cc1ccccc1)NCO ce79aed266102c29477f145ecbcdd858 [0,2,0,0,0,0|1,0,0]=3 782 B14R1.494 OCC[C@H](Cc1ccccc1)NCO 5f2b1b7649565ecd243cb157196e4bbd [0,2,0,0,0,0|2,0,0]=4 783 B14R1.549 C#CC(Cc1ccccc1)OC(C)C 97a5fa2650645a4fcba9cb9e0473651c [0,2,0,0,0,0|1,0,1]=4 784 B14R1.549 CC(C)OC(C=O)Cc1ccccc1 abc3a24282c3ececf16cd556f009693c [0,2,0,0,0,0|2,0,0]=4 785 B14R1.549 CCC(Cc1ccccc1)NC(=O)C 0cac1dd6492c50193e6bec65d765abf3 [0,2,0,0,0,0|2,0,0]=4 786 B14R1.549 CCC(Cc1ccccn1)OC(C)C 1bc58a3770c22fc5012e2677b2269e3d [0,2,0,0,0,0|2,0,0]=4 787 B14R1.980 CC(C)C(Cc1ccccn1)OCF ce5902c7e175b8f16dcccc5d3fe6e72a [0,2,0,0,0,0|2,0,0]=4 788 B14R1.980 CCOC(Cc1ccccc1)C(=O)O 4807c74ae3ebd55a62535474c71f9072 [0,2,0,0,0,0|2,0,0]=4 789 B14R1.980 CCOC(Cc1ccccn1)C(C)C 659776db8d110d5376613f5471818f96 [0,2,0,0,0,0|2,0,0]=4 790 B14R1.980 CCO[C@@H](Cc1ccccc1)C(=O)O 55dc383cfacf49df21e53322946a9bb0 [0,2,0,0,0,0|2,0,0]=4 791 B14R1.980 CCO[C@H](Cc1ccccc1)C(=O)O 932e2d74f05fb5134c7b85f8df3299bf [0,2,0,0,0,0|2,0,0]=4 792 B14R1.980 COCC(Nc1ccccc1)C(C)C 5638a94002acd75d2aa099e73fd1ce48 [0,2,0,0,0,0|2,0,0]=4 793 B14R1.980 COC[C@@H](Nc1ccccc1)C(C)C ada13d0f577fd32300cc265daed185c1 [0,2,0,0,0,0|2,0,0]=4 794 B14R1.980 COC[C@H](Nc1ccccc1)C(C)C 088ecb2a7daa32cfa6a11b2c5b190081 [0,2,0,0,0,0|2,0,0]=4 795 B14R1.980 O=C(O)C(Cc1ccccc1)OCF 72fa39a1e6a9faa853268997f4ab8e61 [0,2,0,0,0,0|2,0,0]=4 796 B14R1.980 O=C(O)[C@@H](Cc1ccccc1)OCF b8c31935bd30d0d3d7d80661454c3e7f [0,2,0,0,0,0|2,0,0]=4 797 B14R1.980 O=C(O)[C@H](Cc1ccccc1)OCF 34a021a59cc06c03adde7858ac8caa11 [0,2,0,0,0,0|2,0,0]=4 798 B14R1.1031 CCC(Nc1ccccc1)C(=O)OC 4faf60ab2fd0a449e7960761ae3c493a [0,2,0,0,0,0|2,0,0]=4 799 B14R1.1031 CC[C@@H](Nc1ccccc1)C(=O)OC ece54fc6f5fd160871fa7924727f85dc [0,2,0,0,0,0|2,0,0]=4 800 B14R1.1031 CC[C@H](Nc1ccccc1)C(=O)OC 6c3b6660ec7fb520ce104059c17b8cd8 [0,2,0,0,0,0|2,0,0]=4 801 B12R1.297 COC(CNc1cccs1)OC 927523f9c78981186daf794e7da3ec65 [0,0,1,1,0,0|2,0,0]=4 802 B12R1.297 COC(CNc1ccoc1)OC 0b34bd86087433811a2ee5c1267731d1 [0,0,1,1,0,0|2,0,0]=4 803 B12R1.297 COC(CNc1ccsc1)OC d8835d88aa772b2f1e6c26212b7e0bb2 [0,0,1,1,0,0|2,0,0]=4 804 B12R1.297 COC(COc1ccco1)OC b298a8846d3d1a28ccdd4f3a34266f58 [0,0,1,1,0,0|2,0,0]=4 805 B12R1.297 COC(COc1cccs1)OC b3b73f57966c6e870e5ac20bb8dbc30f [0,0,1,1,0,0|2,0,0]=4 806 B12R1.297 COC(COc1ccsc1)OC f59512db6231cfdb6a6ae5419681248a [0,0,1,1,0,0|2,0,0]=4 807 B12R2.11 CC1CC1Nc2ccccc2 6c2b1ed9451679c2c2b0f3748602bd6d [1,0,0,1,0,0|2,0,0]=4 808 B12R2.27 CCN1CC1c2ccccc2 9688627107d4117581407497e721ccee [1,0,0,1,0,0|2,0,0]=4 809 B12R2.27 CCN1C[C@@H]1c2ccccc2 c32dec6f3160b9b7bc8c2839caf72878 [1,0,0,1,0,0|2,0,0]=4 810 B12R2.32 CCN1Cc2ccccc2C1 20c2942768350a956e6d394a0b65e9b5 [1,0,0,1,0,0|2,0,0]=4 811 B12R2.2058 c1ccc(cc1)CN2CCC2 79f0a156a4476249fe3e90dbe2fa6274 [1,0,0,1,0,0|2,0,0]=4 812 B14R2.31 CN1CCC1CNc2ccccc2 fc1098bdfca933dc01992e3a6d11d7ce [0,0,0,1,0,1|2,0,0]=4 813 B14R2.31 C[C@@H]1CC[C@@H]1NCc2ccccc2 4fddb335a770ab34bb6f54488f9e3467 [0,0,0,1,0,1|2,0,0]=4 814 B14R2.31 C[C@@H]1CC[C@H]1NCc2ccccc2 5bc999236e80cbdd686a76960bffba00 [0,0,0,1,0,1|2,0,0]=4 815 B14R2.78 CCC1CCN1Cc2ccccc2 84c7e956ab5a6ddab7fa4edd030cb836 [0,0,0,1,0,1|2,0,0]=4 816 B14R2.78 COC1CCC1Nc2ccccc2 c5660c2578d707f39833065b73710501 [0,0,0,1,0,1|1,0,0]=3 817 B14R2.78 COC1CCC1Nc2cccnc2 21311ddb8854d814add45f3da8f95188 [0,0,0,1,0,1|2,0,0]=4 818 B14R2.78 CO[C@@H]1CC[C@@H]1Nc2ccccc2 89ea081d11b423c9f139ad5447ad246d [0,0,0,1,0,1|1,0,0]=3 819 B14R2.78 CO[C@@H]1CC[C@@H]1Nc2cccnc2 f48a49ec6359dfbfcfd9792d4e2cd544 [0,0,0,1,0,1|2,0,0]=4 820 B14R2.78 CO[C@@H]1CC[C@H]1Nc2ccccc2 b6b31ffba7586a16e5f462730237688c [0,0,0,1,0,1|1,0,0]=3 821 B14R2.78 CO[C@@H]1CC[C@H]1Nc2cccnc2 27efa5c3a9ae0e8217a4390453f6fab6 [0,0,0,1,0,1|2,0,0]=4 822 B14R2.78 CO[C@H]1CC[C@@H]1Nc2ccccc2 db103038ec7cbaa6041e0ae93e0e52f8 [0,0,0,1,0,1|1,0,0]=3 823 B14R2.78 CO[C@H]1CC[C@@H]1Nc2cccnc2 e4aa65b49426f346807bdf916bcc057b [0,0,0,1,0,1|2,0,0]=4 824 B14R2.78 CO[C@H]1CC[C@H]1Nc2ccccc2 3ff023cfebb4f6ebb21bf3221e8093d7 [0,0,0,1,0,1|1,0,0]=3 825 B14R2.78 CO[C@H]1CC[C@H]1Nc2cccnc2 95c680ba89d1df223aeadab27d83bdd2 [0,0,0,1,0,1|2,0,0]=4 826 B14R2.101 c1cc(ccn1)NCC2CCCO2 a0d1ff287d58c8004472591e2572c288 [0,0,0,1,0,1|2,0,0]=4 827 B14R2.101 c1cc(ccn1)NC[C@@H]2CCCO2 25cd0cadf45ca5dcdc59a134fbec407a [0,0,0,1,0,1|2,0,0]=4 828 B14R2.101 c1cc(ccn1)NC[C@H]2CCCO2 e6229c71f75e546443796fedc49778f3 [0,0,0,1,0,1|2,0,0]=4 829 B14R2.101 c1cc(ccn1)OCC2CCCO2 e2cbc8f936ca2f175ae2ce99d80ba426 [0,0,0,1,0,1|2,0,0]=4 830 B14R2.101 c1ccc(cc1)CNC2CCCC2 26f25d7433a9946971a97767dbb63ab9 [0,0,0,1,0,1|2,0,0]=4 831 B14R2.101 c1ccc(cc1)COC2CCCC2 f34ed02bc0deb8854aa233423f380147 [0,0,0,1,0,1|2,0,0]=4 832 B14R2.101 c1ccc(cc1)COC2CCCO2 900f3eae5f04e14d87272e9060df1864 [0,0,0,1,0,1|1,0,0]=3 833 B14R2.101 c1ccc(cc1)NCC2CCCC2 c9df56ac64b96bf146c0eed056a78eeb [0,0,0,1,0,1|2,0,0]=4 834 B14R2.101 c1ccc(cc1)NCC2CCCO2 f0144b310f976e97ce6bbe949214b42a [0,0,0,1,0,1|1,0,0]=3 835 B14R2.101 c1ccc(cc1)NC[C@@H]2CCCO2 f239abed15e9129f2463395e441af4cc [0,0,0,1,0,1|1,0,0]=3 836 B14R2.101 c1ccc(cc1)NC[C@H]2CCCO2 96e926e1d7dd8493998b487a634b51f6 [0,0,0,1,0,1|1,0,0]=3 837 B14R2.101 c1ccc(nc1)COC2CCCO2 84ad92a23b86dcd6a20e1e089f2fc655 [0,0,0,1,0,1|2,0,0]=4 838 B14R2.101 c1ccc(nc1)NCC2CCCO2 192df4c7ff100b6e3978ede42a47d256 [0,0,0,1,0,1|2,0,0]=4 839 B14R2.101 c1ccc(nc1)OCC2CCCO2 27aa51ab62a278368489e0a71035009c [0,0,0,1,0,1|2,0,0]=4 840 B14R2.101 c1cncc(c1)COC2CCCO2 4e9f1d61835d2fbd15053d6efc5e3ea6 [0,0,0,1,0,1|2,0,0]=4 841 B14R2.101 c1cncc(c1)NCC2CCCO2 df0c42577a81b11418f2653583fb47a8 [0,0,0,1,0,1|2,0,0]=4 842 B14R2.101 c1cncc(c1)NC[C@@H]2CCCO2 240aba38a7e7935fbe8add8d202269d1 [0,0,0,1,0,1|2,0,0]=4 843 B14R2.101 c1cncc(c1)NC[C@H]2CCCO2 caf2e9906b776b5c98ba7b09d7f03d6e [0,0,0,1,0,1|2,0,0]=4 844 B14R2.101 c1cncc(c1)OCC2CCCO2 0f92aa14db274427e927e7730464c6ed [0,0,0,1,0,1|2,0,0]=4 845 B14R2.6 c1ccc(cc1)CN2CCCOC2 0ef3cacb3dd0a2231b5236ca6e84690f [0,1,0,1,0,0|2,0,0]=4 846 B14R2.35 COCN1CCC1c2ccccc2 1b76efdbb72062a36ccbfdf05e073956 [0,1,0,1,0,0|2,0,0]=4 847 B14R2.39 COCN1C(C1c2ccccc2)C d01096f282caf9730948f73b479b35b1 [0,1,0,1,0,0|2,0,0]=4 848 B14R2.39 COCN1[C@@H]([C@@H]1c2ccccc2)C 16545974ba2aaee054b4e97248fdad81 [0,1,0,1,0,0|2,0,0]=4 849 B14R2.44 CCO[C@H]1Cc2ccncc2[C@H]1C 3266f5227a92fcab3491c5be69487f65 [0,1,0,1,0,0|2,0,0]=4 850 B14R2.44 COCN1Cc2ccccc2[C@H]1C f8b33a08f2faa522507a97655674cc0d [0,1,0,1,0,0|2,0,0]=4 851 B14R2.44 C[C@@H]1c2cnccc2C[C@@H]1OCF add46c76d60b93bdda4da0542c1084b7 [0,1,0,1,0,0|2,0,0]=4 852 B14R2.112 CCNC1CCc2ccccc2C1 b3ace4ca712dbff1c9db2804b55daf31 [0,1,0,1,0,0|2,0,0]=4 853 B14R2.112 CCN[C@@H]1CCc2ccccc2C1 038668a8b7c95a1e26e734386dfd1970 [0,1,0,1,0,0|2,0,0]=4 854 B14R2.112 CCN[C@H]1CCc2ccccc2C1 d8dcd4c64bc1df6f7e1752f79f676e99 [0,1,0,1,0,0|2,0,0]=4 855 B14R2.112 CCOC1CCc2ccccc2C1 4162de96951e75f1928331dd3f330cf1 [0,1,0,1,0,0|1,0,0]=3 856 B14R2.112 CCOC1CCc2ccccc2O1 f41f9f7036d9458026966a18880d0306 [0,1,0,1,0,0|2,0,0]=4 857 B14R2.112 CCOC1CCc2cnccc2C1 a7b7481e46aa1830c3718f8f8eda1d95 [0,1,0,1,0,0|2,0,0]=4 858 B14R2.112 CCOC1Cc2ccccc2CO1 1138c54880b25b72b2ffdea4221e0e3d [0,1,0,1,0,0|0,0,0]=2 859 B14R2.112 CCO[C@@H]1CCc2ccccc2C1 5354458cdc1cadb4c06a6668f9fa3fd4 [0,1,0,1,0,0|1,0,0]=3 860 B14R2.112 CCO[C@H]1CCc2ccccc2C1 448ccdb6e3e086ac3a4239ed14e7c1bb [0,1,0,1,0,0|1,0,0]=3 861 B14R2.112 COCN1CCc2ccccc2C1 0f4f3d3c9e282474dae5929d5ef9655a [0,1,0,1,0,0|2,0,0]=4 862 B14R2.112 FCNC1CCc2ccccc2C1 15fb9b2911bc3a321952e1df0ec887e6 [0,1,0,1,0,0|2,0,0]=4 863 B14R2.112 FCN[C@@H]1CCc2ccccc2C1 542a0e18db3c61bca3b7ba6040c8d23b [0,1,0,1,0,0|2,0,0]=4 864 B14R2.112 FCN[C@H]1CCc2ccccc2C1 2d44d8f8a2e7f30b9ee9c0860c0a263e [0,1,0,1,0,0|2,0,0]=4 865 B14R2.112 FCOC1CCc2ccccc2C1 f08bd34c7e3a546bd1e50476e7aab770 [0,1,0,1,0,0|1,0,0]=3 866 B14R2.112 FCOC1CCc2ccccc2O1 81c905e611ae9d1fe34a00987b54b8ff [0,1,0,1,0,0|2,0,0]=4 867 B14R2.112 FCOC1CCc2cnccc2C1 9ac78768c5444f87d53f5ff71ad39226 [0,1,0,1,0,0|2,0,0]=4 868 B14R2.112 FCOC1Cc2ccccc2CO1 4cbae0deb36912de17f938c010a29695 [0,1,0,1,0,0|0,0,0]=2 869 B14R2.112 FCO[C@@H]1CCc2ccccc2C1 cd7c4114b7ac4bfa840265e33946da49 [0,1,0,1,0,0|1,0,0]=3 870 B14R2.112 FCO[C@H]1CCc2ccccc2C1 f0f87b712b8e3ba2ad9d8bcf64f6e587 [0,1,0,1,0,0|1,0,0]=3 871 B14R2.112 OCNC1CCc2ccccc2C1 9c076fbb0fd2a686e95767a86ae1054d [0,1,0,1,0,0|2,0,0]=4 872 B14R2.112 OCN[C@@H]1CCc2ccccc2C1 0f5e4d0399e03d2f7cc4bb97a31d742b [0,1,0,1,0,0|2,0,0]=4 873 B14R2.112 OCN[C@H]1CCc2ccccc2C1 844f44b923cf42cfd076f3b5939b9d0e [0,1,0,1,0,0|2,0,0]=4 874 B14R2.825 CCNC1(CC1)Cc2ccccc2 9c330cc87cad453b721e3b5623aa3285 [0,1,0,1,0,0|2,0,0]=4 875 B14R2.825 FCNC1(CC1)Cc2ccccc2 c2f77297ce3f861891e1691984d43137 [0,1,0,1,0,0|2,0,0]=4 876 B14R2.825 OCNC1(CC1)Cc2ccccc2 fe7f1709896b6f47f5a35b528609755c [0,1,0,1,0,0|2,0,0]=4 877 B10R1.15 CCN(C)c1ccccc1 9cc6568b1f30abe04427bdea858da30e [1,0,0,0,1,0|2,0,0]=4 878 B12R0.552 C=CCC(C=C)OCC(OC)OC 4b97c9bd83985ee15df922cfaa2a34d8 [0,0,1,0,0,1|0,0,2]=4 879 B12R1.27 C#CC(C)NCc1ccccc1 0c823c8410acc72523ada4697880703b [1,0,0,0,0,1|1,0,1]=4 880 B12R1.27 C#CC(C)OCc1ccccc1 f6359202a87cde289007d81369eaa165 [1,0,0,0,0,1|1,0,1]=4 881 B12R1.27 C#C[C@@H](C)NCc1ccccc1 51fd06b5dc99f337c53516eb04becf75 [1,0,0,0,0,1|1,0,1]=4 882 B12R1.27 C#C[C@@H](C)OCc1ccccc1 5a1f683c3ddc74682e7065902596ab4b [1,0,0,0,0,1|1,0,1]=4 883 B12R1.27 C#C[C@H](C)NCc1ccccc1 5c0b47a0f6d5613da204666041aaf216 [1,0,0,0,0,1|1,0,1]=4 884 B12R1.27 C#C[C@H](C)OCc1ccccc1 760d62af860bc17bf4194987b15f5245 [1,0,0,0,0,1|1,0,1]=4 885 B12R1.27 C=C(CNc1ccccc1)OC bb949f54d2f54d3e6e888faf57686f4e [1,0,0,0,0,1|0,0,2]=4 886 B12R1.27 C=CC(C)NCc1ccccc1 a2d84df39e96bf4d63bb9a0f31cf21bd [1,0,0,0,0,1|1,0,1]=4 887 B12R1.27 C=CC(C)OCc1ccccc1 5eba3aa739773a1c08ab0c58859512d1 [1,0,0,0,0,1|1,0,1]=4 888 B12R1.27 C=CC(O)CNc1ccccc1 e6108fb7cfe75301d4d656a5d5d31162 [1,0,0,0,0,1|1,0,1]=4 889 B12R1.27 C=C[C@H](C)OCc1ccccc1 723c5fd60a5c4ba97fa272fb1c420579 [1,0,0,0,0,1|1,0,1]=4 890 B12R1.27 CC(C#N)CNc1ccccc1 bca83eb9ab77da1cbd259e8c3d4283ee [1,0,0,0,0,1|2,0,0]=4 891 B12R1.27 CC(C#N)NCc1ccccc1 a297cbe65f4070e0226da02d61e71151 [1,0,0,0,0,1|2,0,0]=4 892 B12R1.27 CC(C=O)NCc1ccccc1 52acbe8f861a146c2fae15c546c154ce [1,0,0,0,0,1|2,0,0]=4 893 B12R1.27 CC(C=O)OCc1ccccc1 dab13d83530825bb9c7bbbb7bc6908d9 [1,0,0,0,0,1|2,0,0]=4 894 B12R1.27 CC(CF)OCc1ccccc1 c18da580e3dabe7992624a35c25d53e8 [1,0,0,0,0,1|2,0,0]=4 895 B12R1.27 CC(CO)CNc1ccccc1 f07a32871260f72c2fb2363a7f611104 [1,0,0,0,0,1|2,0,0]=4 896 B12R1.27 CC(CO)NCc1ccccc1 8f2e7b2c99e7f1ec8ee06bbaf841b37c [1,0,0,0,0,1|2,0,0]=4 897 B12R1.27 CC(CS)OCc1ccccc1 bf9173a456888d57225f0e1203a32c5e [1,0,0,0,0,1|2,0,0]=4 898 B12R1.27 CCC(C)CNc1ccccc1 fb8ee4288bf8853fd57c8a217184507f [1,0,0,0,0,1|1,0,0]=3 899 B12R1.27 CCC(C)CNc1ccccn1 6f2b4521dfa3e14ebf77bc9e288b8c6c [1,0,0,0,0,1|2,0,0]=4 900 B12R1.27 CCC(C)CNc1cccnc1 799d2535ec95c75adc3efc07c94a55e6 [1,0,0,0,0,1|2,0,0]=4 901 B12R1.27 CCC(C)CNc1ccncc1 1d114bdb53eb8bc5873d9cc0853c5acf [1,0,0,0,0,1|2,0,0]=4 902 B12R1.27 CCC(C)COc1ccccn1 068a7be24dc7922a67d6964a1394c7d6 [1,0,0,0,0,1|2,0,0]=4 903 B12R1.27 CCC(C)COc1cccnc1 0c32f61d8566e65294b7d65adcb5b70b [1,0,0,0,0,1|2,0,0]=4 904 B12R1.27 CCC(C)COc1ccncc1 60b90e0040b7a2f08da03a263d76f7dc [1,0,0,0,0,1|2,0,0]=4 905 B12R1.27 CCC(C)NCc1ccccc1 ab8df84230779f2ea3e6a09700944eac [1,0,0,0,0,1|1,0,0]=3 906 B12R1.27 CCC(C)NCc1ccccn1 600531c2c0367b3cbfd9810ef9c18666 [1,0,0,0,0,1|2,0,0]=4 907 B12R1.27 CCC(C)NCc1cccnc1 03aa38772555301826d5e6a7450f6276 [1,0,0,0,0,1|2,0,0]=4 908 B12R1.27 CCC(C)NCc1ccncc1 8f2ef9d0f5df7ed3c4b3d292b12e10fb [1,0,0,0,0,1|2,0,0]=4 909 B12R1.27 CCC(C)OCc1ccccc1 ecd56e0e8d83f20f8ba3d53f4367b277 [1,0,0,0,0,1|1,0,0]=3 910 B12R1.27 CCC(C)OCc1ccccn1 cdbc114ff1e98274e0c76d4efba7fd19 [1,0,0,0,0,1|2,0,0]=4 911 B12R1.27 CCC(C)OCc1cccnc1 48e9afbe8701af90763c0a4646314a57 [1,0,0,0,0,1|2,0,0]=4 912 B12R1.27 CCC(C)OCc1ccncc1 a48ab0f470a95fc03f35a49430e127c9 [1,0,0,0,0,1|2,0,0]=4 913 B12R1.27 CCC(O)CNc1ccccc1 3a32ac0a6b49d877750df15cf382268b [1,0,0,0,0,1|1,0,0]=3 914 B12R1.27 CCC(O)CNc1ccccn1 6864d6686de3983b3129898abd14e11f [1,0,0,0,0,1|2,0,0]=4 915 B12R1.27 CCC(O)CNc1cccnc1 5ec705eaa989393421bbf1121531428c [1,0,0,0,0,1|2,0,0]=4 916 B12R1.27 CCC(O)CNc1ccncc1 0b60e4dad8ea5561a0d2716be536ff21 [1,0,0,0,0,1|2,0,0]=4 917 B12R1.27 CCN(C)CCc1ccccc1 7c4ca4f684c66e96c63c7f2e129ac623 [1,0,0,0,0,1|2,0,0]=4 918 B12R1.27 CC[C@@H](C)CNc1ccccc1 7adb7de69cc286747885efdd5e0d3ab0 [1,0,0,0,0,1|1,0,0]=3 919 B12R1.27 CC[C@@H](C)CNc1ccccn1 b147644fe4c42e26e6b4ca990988fc8c [1,0,0,0,0,1|2,0,0]=4 920 B12R1.27 CC[C@@H](C)CNc1cccnc1 1eb105ddecf8c3249110848ecff4eaa7 [1,0,0,0,0,1|2,0,0]=4 921 B12R1.27 CC[C@@H](C)CNc1ccncc1 ea454cc837b589ad6fa29f9da9abac60 [1,0,0,0,0,1|2,0,0]=4 922 B12R1.27 CC[C@@H](C)COc1ccccn1 874982a66f916edcb8896717a7802590 [1,0,0,0,0,1|2,0,0]=4 923 B12R1.27 CC[C@@H](C)COc1cccnc1 58227191aae01f35afcd7cf132697857 [1,0,0,0,0,1|2,0,0]=4 924 B12R1.27 CC[C@@H](C)COc1ccncc1 d0894bc1ae7cda042c896f44faa1550c [1,0,0,0,0,1|2,0,0]=4 925 B12R1.27 CC[C@@H](C)NCc1ccccc1 1448d746eef22413d3964f8047936159 [1,0,0,0,0,1|1,0,0]=3 926 B12R1.27 CC[C@@H](C)NCc1ccccn1 abcbefa3b0b43406c128be8257adf8b2 [1,0,0,0,0,1|2,0,0]=4 927 B12R1.27 CC[C@@H](C)NCc1cccnc1 b119e02beb918b7f43cb64ab2c69b801 [1,0,0,0,0,1|2,0,0]=4 928 B12R1.27 CC[C@@H](C)OCc1ccccc1 0a5e215baf34a258dd8987ff4d2156b3 [1,0,0,0,0,1|1,0,0]=3 929 B12R1.27 CC[C@@H](C)OCc1ccccn1 01fb0c2d8a73e699c5cca2351e7c51da [1,0,0,0,0,1|2,0,0]=4 930 B12R1.27 CC[C@@H](C)OCc1cccnc1 2a740981d9be19ca809d229b469f45a2 [1,0,0,0,0,1|2,0,0]=4 931 B12R1.27 CC[C@@H](O)CNc1ccccc1 765034dc37ea09fed7d7c3321191febe [1,0,0,0,0,1|1,0,0]=3 932 B12R1.27 CC[C@@H](O)CNc1cccnc1 804d6049e9a11075b053115d69a8a4fd [1,0,0,0,0,1|2,0,0]=4 933 B12R1.27 CC[C@@H](O)CNc1ccncc1 d1898f70a0d74eecc26d475907d4eaff [1,0,0,0,0,1|2,0,0]=4 934 B12R1.27 CC[C@H](C)CNc1ccccc1 1ad1285ada078333483cb7913624769f [1,0,0,0,0,1|1,0,0]=3 935 B12R1.27 CC[C@H](C)CNc1ccccn1 75c9b55178b9e6cbffbfe52153637e1b [1,0,0,0,0,1|2,0,0]=4 936 B12R1.27 CC[C@H](C)CNc1cccnc1 2e0a2075fe988129d1dcbf5d21b158ec [1,0,0,0,0,1|2,0,0]=4 937 B12R1.27 CC[C@H](C)CNc1ccncc1 1476b49c3603a7542420a49c2bf3dc59 [1,0,0,0,0,1|2,0,0]=4 938 B12R1.27 CC[C@H](C)COc1ccccn1 f5b749782758cf24dab04e1718b2b720 [1,0,0,0,0,1|2,0,0]=4 939 B12R1.27 CC[C@H](C)COc1cccnc1 07e42e29a9d594c30776c88035bd838e [1,0,0,0,0,1|2,0,0]=4 940 B12R1.27 CC[C@H](C)COc1ccncc1 91877b6a13f619eb114c1ca0ccf0b7a7 [1,0,0,0,0,1|2,0,0]=4 941 B12R1.27 CC[C@H](C)NCc1ccccc1 1d652b15c79b972376b40d93f2c0c28b [1,0,0,0,0,1|1,0,0]=3 942 B12R1.27 CC[C@H](C)NCc1ccccn1 db87df854d63d8a538c09dd589fcce72 [1,0,0,0,0,1|2,0,0]=4 943 B12R1.27 CC[C@H](C)NCc1cccnc1 fa7be05a72600688ba61bb2a45c0e2c1 [1,0,0,0,0,1|2,0,0]=4 944 B12R1.27 CC[C@H](C)OCc1ccccc1 b8de8bd5177d460679bde97bee24bb31 [1,0,0,0,0,1|1,0,0]=3 945 B12R1.27 CC[C@H](C)OCc1ccccn1 095ff59c775b3964aafbd1681dc69b03 [1,0,0,0,0,1|2,0,0]=4 946 B12R1.27 CC[C@H](C)OCc1cccnc1 dc7942b08bf13064943cbe342b7c887c [1,0,0,0,0,1|2,0,0]=4 947 B12R1.27 COC(=O)CNc1ccccc1 4732dba1106eb1ebf4644524cb0d5858 [1,0,0,0,0,1|0,0,2]=4 948 B12R1.27 COC(C)CNc1ccccc1 8b7aea6540e0014f2969161722152c0a [1,0,0,0,0,1|0,0,0]=2 949 B12R1.27 COC(C)CNc1ccccn1 aa1fffc4826b028b66ca3b6131bb2129 [1,0,0,0,0,1|1,0,0]=3 950 B12R1.27 COC(C)CNc1cccnc1 22ea1776f5c64fa404e2b1d10875769b [1,0,0,0,0,1|1,0,0]=3 951 B12R1.27 COC(C)CNc1cccnn1 57b8f2e31a89437037bb968036b0a7ad [1,0,0,0,0,1|2,0,0]=4 952 B12R1.27 COC(C)CNc1ccncc1 8583756de850d35d798b9d18e790369d [1,0,0,0,0,1|1,0,0]=3 953 B12R1.27 COC(C)CNc1ccncn1 9a338fed3fdbe41865e288d21845d7b6 [1,0,0,0,0,1|2,0,0]=4 954 B12R1.27 COC(C)CNc1ccnnc1 1ef6344f5f57a524b522bc16ce4f3f7a [1,0,0,0,0,1|2,0,0]=4 955 B12R1.27 COC(C)CNc1cnccn1 4934fe98e881c8caac1de5e17b4dc92d [1,0,0,0,0,1|2,0,0]=4 956 B12R1.27 COC(C)CNc1cncnc1 76d1148a167534b4fcc70bd965040319 [1,0,0,0,0,1|2,0,0]=4 957 B12R1.27 COC(C)CNc1ncccn1 8570879f1ddd8a7a1e5f6c89edecdeea [1,0,0,0,0,1|2,0,0]=4 958 B12R1.27 COC(C)COc1ccccn1 f8dc8bfeccf22df73c7ed2e356fc48da [1,0,0,0,0,1|1,0,0]=3 959 B12R1.27 COC(C)COc1cccnc1 9293f71aa0063e3b71a6c85117d16856 [1,0,0,0,0,1|1,0,0]=3 960 B12R1.27 COC(C)COc1ccncc1 5fbc7e5892edbad02dcb9a66b68a62df [1,0,0,0,0,1|1,0,0]=3 961 B12R1.27 COC(C)COc1ccnnc1 c736b03fcccbeacc05d0d73575cc4d1b [1,0,0,0,0,1|2,0,0]=4 962 B12R1.27 COC(C)COc1cnccn1 168521879b84e34b8c393d32fd7d174c [1,0,0,0,0,1|2,0,0]=4 963 B12R1.27 COC(C)COc1cncnc1 018a2a8d74b79afe6852ad6a79d6a6d6 [1,0,0,0,0,1|2,0,0]=4 964 B12R1.27 COC(C)COc1ncccn1 0fcc0297343c993aabe4b47abb5acb0d [1,0,0,0,0,1|2,0,0]=4 965 B12R1.27 CO[C@@H](C)CNc1ccccc1 1db51b6397d595cc5bd1ef07b3dce178 [1,0,0,0,0,1|0,0,0]=2 966 B12R1.27 CO[C@@H](C)CNc1ccccn1 3f6f24d683b32bf983db741333c2969d [1,0,0,0,0,1|1,0,0]=3 967 B12R1.27 CO[C@@H](C)CNc1cccnc1 ed45e74a30d0fad7831c896f4455a3e9 [1,0,0,0,0,1|1,0,0]=3 968 B12R1.27 CO[C@@H](C)CNc1cccnn1 a7aab28edd21d3a5ef3d70cba3e8d7f9 [1,0,0,0,0,1|2,0,0]=4 969 B12R1.27 CO[C@@H](C)CNc1ccncc1 321a70901c24d6141307a3fd83345c5f [1,0,0,0,0,1|1,0,0]=3 970 B12R1.27 CO[C@@H](C)CNc1ccncn1 917b47bd5f497576d3e7486855c6ee57 [1,0,0,0,0,1|2,0,0]=4 971 B12R1.27 CO[C@@H](C)CNc1ccnnc1 bd91b33e1ab00e0320ecd558add50c2b [1,0,0,0,0,1|2,0,0]=4 972 B12R1.27 CO[C@@H](C)CNc1cnccn1 53ae0935256e105b3eb7c609b854c909 [1,0,0,0,0,1|2,0,0]=4 973 B12R1.27 CO[C@@H](C)CNc1cncnc1 ae65d70c0954de37db4895592764b4d0 [1,0,0,0,0,1|2,0,0]=4 974 B12R1.27 CO[C@@H](C)CNc1ncccn1 0812a69d040d25016f59a08e6acb2161 [1,0,0,0,0,1|2,0,0]=4 975 B12R1.27 CO[C@@H](C)COc1ccccn1 74e5eb55678aa99f2f01dd02e58c0f99 [1,0,0,0,0,1|1,0,0]=3 976 B12R1.27 CO[C@@H](C)COc1cccnc1 4625df0874e428ea62a16a84848b31c3 [1,0,0,0,0,1|1,0,0]=3 977 B12R1.27 CO[C@@H](C)COc1ccncc1 a06e60f07f6a57574e8cbc8ff90265e7 [1,0,0,0,0,1|1,0,0]=3 978 B12R1.27 CO[C@@H](C)COc1ccnnc1 6c807b2fe478ce11e5850217979ae864 [1,0,0,0,0,1|2,0,0]=4 979 B12R1.27 CO[C@@H](C)COc1cnccn1 b74633bf8dc1ffc4614cbf0963cc0979 [1,0,0,0,0,1|2,0,0]=4 980 B12R1.27 CO[C@@H](C)COc1cncnc1 b7287c1396ba7fd311664ce2851613b9 [1,0,0,0,0,1|2,0,0]=4 981 B12R1.27 CO[C@@H](C)COc1ncccn1 d43b5c2f21fcbe512af85251c28b8a25 [1,0,0,0,0,1|2,0,0]=4 982 B12R1.27 CO[C@H](C)CNc1ccccc1 b7b86a2dea3233b080c54d71a8f46990 [1,0,0,0,0,1|0,0,0]=2 983 B12R1.27 CO[C@H](C)CNc1ccccn1 04ec0231ca9bc4cf1eff96f841c37724 [1,0,0,0,0,1|1,0,0]=3 984 B12R1.27 CO[C@H](C)CNc1cccnc1 3d28dbb191d334198e2e90ddce2fa1a4 [1,0,0,0,0,1|1,0,0]=3 985 B12R1.27 CO[C@H](C)CNc1cccnn1 308d9b61ca0613da225819a6631aa0ff [1,0,0,0,0,1|2,0,0]=4 986 B12R1.27 CO[C@H](C)CNc1ccncc1 bd2ba612a637b68c883a6591cf32e881 [1,0,0,0,0,1|1,0,0]=3 987 B12R1.27 CO[C@H](C)CNc1ccncn1 7bf1aa7877bed7ec80381d13b25beaa6 [1,0,0,0,0,1|2,0,0]=4 988 B12R1.27 CO[C@H](C)CNc1ccnnc1 0b1e03d7a3c7cf42a00b9ce336a3dc0b [1,0,0,0,0,1|2,0,0]=4 989 B12R1.27 CO[C@H](C)CNc1cnccn1 b719a317b586b472c3ca3ba92317ee19 [1,0,0,0,0,1|2,0,0]=4 990 B12R1.27 CO[C@H](C)CNc1cncnc1 57edc74303f1d79aedad731207c3d117 [1,0,0,0,0,1|2,0,0]=4 991 B12R1.27 CO[C@H](C)CNc1ncccn1 b988e20ae9c69cfad8a575078571ad98 [1,0,0,0,0,1|2,0,0]=4 992 B12R1.27 CO[C@H](C)COc1ccccn1 48788836bfd03aade6f0bd2c51b60c5c [1,0,0,0,0,1|1,0,0]=3 993 B12R1.27 CO[C@H](C)COc1cccnc1 a0e969ee0f3c10fe22a63e3d03e64109 [1,0,0,0,0,1|1,0,0]=3 994 B12R1.27 CO[C@H](C)COc1ccncc1 8e99d9b0419ebb5515c91639e755a31d [1,0,0,0,0,1|1,0,0]=3 995 B12R1.27 CO[C@H](C)COc1ccnnc1 f945c9bbfb6b3f9636756fc0824691de [1,0,0,0,0,1|2,0,0]=4 996 B12R1.27 CO[C@H](C)COc1cnccn1 f10e17992a6825010ede7d0e515d88a7 [1,0,0,0,0,1|2,0,0]=4 997 B12R1.27 CO[C@H](C)COc1cncnc1 2e85b0fd0e5e5e9f49a37e10ec2a6b1b [1,0,0,0,0,1|2,0,0]=4 998 B12R1.27 CO[C@H](C)COc1ncccn1 f5255e9db0e1162de21d873188fcd514 [1,0,0,0,0,1|2,0,0]=4 999 B12R1.27 C[C@@H](CO)CNc1ccccc1 8acaf8396f10bf3948fe3b52f4656e75 [1,0,0,0,0,1|2,0,0]=4 1000 B12R1.27 C[C@@H](CO)NCc1ccccc1 a52866c987a35d6e1a5b62fda8afddea [1,0,0,0,0,1|2,0,0]=4 1001 B12R1.27 C[C@H](C=O)NCc1ccccc1 645b627cd889138b5240bcb1ce686b72 [1,0,0,0,0,1|2,0,0]=4 1002 B12R1.27 C[C@H](C=O)OCc1ccccc1 d71860644cbe1541da13b3966902f7f7 [1,0,0,0,0,1|2,0,0]=4 1003 B12R1.27 C[C@H](CO)CNc1ccccc1 de01f7c1f1d3b008ec664fad35110bba [1,0,0,0,0,1|2,0,0]=4 1004 B12R1.27 C[C@H](CO)NCc1ccccc1 6eed9f4ff81e8b8226b9282b8f3ad13f [1,0,0,0,0,1|2,0,0]=4 1005 B12R1.27 C[C@H](CS)OCc1ccccc1 76a62ad706fe4942b152f21141bdace8 [1,0,0,0,0,1|2,0,0]=4 1006 B12R1.27 OC(CF)CNc1ccccc1 e518893c8dbaaac7e0289d266d42fc20 [1,0,0,0,0,1|2,0,0]=4 1007 B12R1.27 OCC(O)CNc1ccccc1 2c98ea52c81c0230088b12196d6eb24a [1,0,0,0,0,1|2,0,0]=4 1008 B12R1.27 OC[C@@H](O)CNc1ccccc1 d5ed593b781b051c17ac5c0f665c9b28 [1,0,0,0,0,1|2,0,0]=4 1009 B12R1.27 OC[C@H](O)CNc1ccccc1 4df6835ea35fcadc1546d95d2a23469d [1,0,0,0,0,1|2,0,0]=4 1010 B14R1.546 CCC(CC)CCNc1ccccc1 8bb006e292a461d3cf826ab786922abb [0,0,0,0,0,2|2,0,0]=4 1011 B14R1.546 CCC(CC)CNCc1ccccc1 93b13c2772a59f1e5f7aa2f664e71edc [0,0,0,0,0,2|2,0,0]=4 1012 B14R1.546 CCC(CC)COCc1ccccc1 4d98d712761ce6c0d9fb9d373e0b2417 [0,0,0,0,0,2|2,0,0]=4 1013 B14R1.546 CCC(CC)NCCc1ccccc1 38d623ec3e465df4b23716859dfa550f [0,0,0,0,0,2|2,0,0]=4 1014 B14R1.546 CCC(CC)OCCc1ccccc1 4dc2de0521d9f0cca27da16f41afe81d [0,0,0,0,0,2|2,0,0]=4 1015 B14R1.546 CCC(COCc1ccccc1)OC 772c98a771a9f454a813f590770f40ef [0,0,0,0,0,2|1,0,0]=3 1016 B14R1.546 CCC(COCc1ccccn1)OC ea25a3c713c84f9a293397e0ba833c5c [0,0,0,0,0,2|2,0,0]=4 1017 B14R1.546 CCC(COCc1cccnc1)OC 3be159c921295d180e25a292c6fbf6ac [0,0,0,0,0,2|2,0,0]=4 1018 B14R1.546 COC(CCNc1ccccc1)OC 17706df337f41dfdbe48e85f4283147e [0,0,0,0,0,2|0,0,0]=2 1019 B14R1.546 COC(CCNc1ccccn1)OC 3e4dcd9c4d0bc21f71ab84ecbac1f755 [0,0,0,0,0,2|1,0,0]=3 1020 B14R1.546 COC(CCNc1cccnc1)OC 6b749597e0bea54c8ae91a63f029b15c [0,0,0,0,0,2|1,0,0]=3 1021 B14R1.546 COC(CCNc1cccnn1)OC 4541a37e949d9e4543b1ba40b04ee5e2 [0,0,0,0,0,2|2,0,0]=4 1022 B14R1.546 COC(CCNc1ccncc1)OC d4767b223686be9655c677665a3dbb13 [0,0,0,0,0,2|1,0,0]=3 1023 B14R1.546 COC(CCNc1ccncn1)OC 6a4549038b59f0b49218e3483897cdc9 [0,0,0,0,0,2|2,0,0]=4 1024 B14R1.546 COC(CCNc1ccnnc1)OC ba307ba2bd74a4c31d1536834e897cea [0,0,0,0,0,2|2,0,0]=4 1025 B14R1.546 COC(CCNc1cnccn1)OC fedb2ffb11f251c72f0c4ac3552fd69f [0,0,0,0,0,2|2,0,0]=4 1026 B14R1.546 COC(CCNc1cncnc1)OC b4c12f0697a9d029b6069a39a51689d4 [0,0,0,0,0,2|2,0,0]=4 1027 B14R1.546 COC(CCNc1ncccn1)OC 9628ce172e8a92c55429e03d9130205a [0,0,0,0,0,2|2,0,0]=4 1028 B14R1.546 COC(CCOc1ccccn1)OC c2aee1a4fbde7a3cf3f19090b63f4e18 [0,0,0,0,0,2|1,0,0]=3 1029 B14R1.546 COC(CCOc1cccnc1)OC 3c552ec3896eb757ca29b4d1daa9107b [0,0,0,0,0,2|1,0,0]=3 1030 B14R1.546 COC(CCOc1ccncc1)OC 8d5e1b0ac6ce8255382fe2f016240421 [0,0,0,0,0,2|1,0,0]=3 1031 B14R1.546 COC(CCOc1ccnnc1)OC 05e595100c33b5cfebf1c1be5ffa1838 [0,0,0,0,0,2|2,0,0]=4 1032 B14R1.546 COC(CCOc1cnccn1)OC a4cb3405029c3400ae22a68b872e7139 [0,0,0,0,0,2|2,0,0]=4 1033 B14R1.546 COC(CCOc1cncnc1)OC 9238af699a59f6a7eda58e99ce19063c [0,0,0,0,0,2|2,0,0]=4 1034 B14R1.546 COC(CCOc1ncccn1)OC b94892ff4f686796bc20a8c6dd32e8c0 [0,0,0,0,0,2|2,0,0]=4 1035 B14R1.546 COC(CNCc1ccccc1)OC fb35038f79a9c53a546bb60aa9748c39 [0,0,0,0,0,2|0,0,0]=2 1036 B14R1.546 COC(CNCc1ccccn1)OC c761f9a233d30f729acef7830effdf99 [0,0,0,0,0,2|1,0,0]=3 1037 B14R1.546 COC(CNCc1cccnc1)OC 6a8b4a667cae95baf696eb2845669d4f [0,0,0,0,0,2|1,0,0]=3 1038 B14R1.546 COC(CNCc1cccnn1)OC 4618a91ad78621105dc747729e1bb11f [0,0,0,0,0,2|2,0,0]=4 1039 B14R1.546 COC(CNCc1ccncc1)OC e8b5a7ccd5ecfa51ff48baca1ad1c7da [0,0,0,0,0,2|1,0,0]=3 1040 B14R1.546 COC(CNCc1ccncn1)OC 4656561eb00501d33a0c79d46ead0821 [0,0,0,0,0,2|2,0,0]=4 1041 B14R1.546 COC(CNCc1ccnnc1)OC 0451ca89a95fefaae0bd9e32d7a9ff74 [0,0,0,0,0,2|2,0,0]=4 1042 B14R1.546 COC(CNCc1cnccn1)OC bd6a7bc8364c9995e1200a5b49b91d75 [0,0,0,0,0,2|2,0,0]=4 1043 B14R1.546 COC(CNCc1cncnc1)OC 6e08f2c3e9bb7142a6e2576e0003c960 [0,0,0,0,0,2|2,0,0]=4 1044 B14R1.546 COC(CNCc1ncccn1)OC 6c907b179a56d0465848dba1619b2780 [0,0,0,0,0,2|2,0,0]=4 1045 B14R1.546 COC(COCc1ccccc1)OC 134ea0ee345c18c9c24e9f8efe193bff [0,0,0,0,0,2|0,0,0]=2 1046 B14R1.546 COC(COCc1ccccn1)OC 9bd796c5f3c7f6ae5683316cd78ba397 [0,0,0,0,0,2|1,0,0]=3 1047 B14R1.546 COC(COCc1cccnc1)OC 309a4724b74fa39440a6b9bdda85247d [0,0,0,0,0,2|1,0,0]=3 1048 B14R1.546 COC(COCc1cccnn1)OC cb7fa9472e33edb6ff763ad54616f8be [0,0,0,0,0,2|2,0,0]=4 1049 B14R1.546 COC(COCc1ccncc1)OC 5610a757dd1093042f7ebfa16ddd4b84 [0,0,0,0,0,2|1,0,0]=3 1050 B14R1.546 COC(COCc1ccncn1)OC d92d1d93ed2e2ec06b3e10289eb54cf7 [0,0,0,0,0,2|2,0,0]=4 1051 B14R1.546 COC(COCc1ccnnc1)OC 9beb9e2ed4097608e6644cfdc6676fd4 [0,0,0,0,0,2|2,0,0]=4 1052 B14R1.546 COC(COCc1cnccn1)OC f1af34365dd596d1ac6dd764489dd6b4 [0,0,0,0,0,2|2,0,0]=4 1053 B14R1.546 COC(COCc1cncnc1)OC 45ef06819b8497aac95e2bf501f90357 [0,0,0,0,0,2|2,0,0]=4 1054 B14R1.546 COC(COCc1ncccn1)OC 10fd46a5a5d3883a871a6a646c62ccc8 [0,0,0,0,0,2|2,0,0]=4 1055 B14R1.546 CO[C@@H](CO)CNCc1ccccc1 93e63134832b63b95effd63cf4f50c31 [0,0,0,0,0,2|2,0,0]=4