0 B11R1.3 CC(=O)N1CCC(CC1)C=O cb36a57494159eb405e1c3945358d0d8 [0,0,0,0,0,0|2,0,2]=4 1 B11R1.3 CC(=O)N1CCN(CC1)C=O cbc15f7a1e9f365ab253eb0efa67f015 [0,0,0,0,0,0|3,0,1]=4 2 B11R1.3 CC(C)C1CCN(CC1)C=O 3638fa65b5dea91bf7491834e80deb30 [0,0,0,0,0,0|1,0,3]=4 3 B11R1.3 CC(O)C1CCN(CC1)C=O 0e893c308e1a00fb4a509ec27e888b96 [0,0,0,0,0,0|2,0,2]=4 4 B11R1.3 CN(C)C1CCN(CC1)C=O 9e1260a006114f95122861f307eb5b10 [0,0,0,0,0,0|2,0,2]=4 5 B11R1.3 C[C@@H](O)C1CCN(CC1)C=O 02213be714107dd1cba861db24419156 [0,0,0,0,0,0|2,0,2]=4 6 B11R1.3 NC(=O)C1CCN(CC1)C=O 7c2d38ad3d7eae19e230e8ffccd12372 [0,0,0,0,0,0|3,0,1]=4 7 B11R1.3 NC(=S)C1CCN(CC1)C=O fb0db73259dcd386f84b31da9c6ef934 [0,0,0,0,0,0|3,0,1]=4 8 B10R1.3 CCC1CCN(CC1)C=O 0f7c00c20a40ae5056ab69ed4bc07700 [1,0,0,0,0,0|1,0,2]=4 9 B10R1.3 COC1CCN(CC1)C=O 07d7cb870935d90e38ad35f0a6eb9b82 [1,0,0,0,0,0|2,0,1]=4 10 B10R1.3 CSC1CCN(CC1)C=O 11b9fcae91ab5d1a4133fd147f7b0f5b [1,0,0,0,0,0|2,0,1]=4 11 B10R1.3 O=CC1CCN(CC1)C=O 2464a99804b86d7c53be6fc376583bb8 [1,0,0,0,0,0|2,0,1]=4 12 B10R1.13 CC(=O)N1CC=C(CC1)Br 46a9eea74033c3782effb9cbbf9cb341 [1,0,0,0,0,0|3,0,0]=4 13 B12R1.5 CCC(=O)C1CCN(CC1)C=O 01601f0d568a2b236d6f076784d98b3c [0,1,0,0,0,0|2,0,1]=4 14 B12R1.5 CNC(=O)C1CCN(CC1)C=O 7e3695dc588f3b45b660d565b26613d8 [0,1,0,0,0,0|2,0,1]=4 15 B12R1.5 COC(=O)C1CCN(CC1)C=O 1d6efc2fc543b772ad3dd77657f91dac [0,1,0,0,0,0|2,0,1]=4 16 B12R1.256 CC(C)N1CC=C(CC1)C(=O)O b975cff3987d63c9317af0628b7c197d [0,1,0,0,0,0|1,0,2]=4 17 B10R0.77 C=C(Br)CCOC(C=O)CC 745cd1380b8a07daa19dcac077d1b021 [0,0,1,0,0,0|2,0,1]=4 18 B10R0.77 C=C(C)CCNC(C=O)C=O f0bb8573052116410230f2c8e9b62584 [0,0,1,0,0,0|2,0,1]=4 19 B10R0.77 C=C(C)CCNC(C=O)CC 11e4ced31f441e811af4a8dade2fd91d [0,0,1,0,0,0|1,0,1]=3 20 B10R0.77 C=C(C)CCOC(C=O)C=O 9b47fc6121fd05ddb4d64236a77ff1c3 [0,0,1,0,0,0|2,0,1]=4 21 B10R0.77 C=C(C)CCOC(C=O)CC 919cf18bb44557ade5cf147244ecc6c7 [0,0,1,0,0,0|1,0,1]=3 22 B10R0.77 C=CC(CC)OCCC(=C)C 4ed34327c7f1c0467a7063d329ee7859 [0,0,1,0,0,0|2,0,1]=4 23 B10R0.77 CCC(C=O)OCCC(=O)C b73da0f02d090dcd415ebca6e2e951e5 [0,0,1,0,0,0|2,0,1]=4 24 B10R0.82 C=C(C=O)OCC(C)C(=O)O 5ab211385f1df6b5b5f8e6633c620a6c [0,0,1,0,0,0|3,0,0]=4 25 B10R0.82 C=C(C=O)OCC(C)C(C)C ff9d5a683c483df8243c939c45eb38a8 [0,0,1,0,0,0|1,0,2]=4 26 B10R0.82 C=C(C=O)OC[C@@H](C)C(=C)I 0518e4aadd9f40e1891968a0693a5d52 [0,0,1,0,0,0|2,0,0]=3 27 B10R0.82 C=C(I)[C@H](C)COC(C)C=O a8151a5368b7c34e42d1e20f8f632275 [0,0,1,0,0,0|2,0,1]=4 28 B10R0.82 CC(=O)C(C)COC(C)C=O 518892fbe4416b0d8ea07965a97dad66 [0,0,1,0,0,0|2,0,1]=4 29 B10R0.82 CC(=O)C(C)CO[C@H](C)C=O c7e0e5f4d1c93f5e8868074724b49805 [0,0,1,0,0,0|2,0,1]=4 30 B10R1.31 CC(=O)C1CCN(C1)C=O cca0f58b29a3b1f0b1113669128e426a [0,0,0,0,1,0|2,0,0]=3 31 B10R1.31 CN(C)C1CCN(C1)C=O 5fe81132c239e3b88faf386cf2843947 [0,0,0,0,1,0|2,0,1]=4 32 B10R1.31 CN(C)[C@@H]1CCN(C1)C=O bd4cc03e7fb45b262c8be4ca930a45df [0,0,0,0,1,0|2,0,1]=4 33 B10R1.31 CN(C)[C@H]1CCN(C1)C=O 43edfd4436ced8726546a6e18bc81cd4 [0,0,0,0,1,0|2,0,1]=4 34 B10R1.31 NC(=O)C1CCN(C1)C=O c757c52c875c8f39e4fd0a8e8dc46231 [0,0,0,0,1,0|3,0,0]=4 35 B10R1.31 NC(=O)[C@@H]1CCN(C1)C=O fa276ce488777d6afed1e02f8c1b0385 [0,0,0,0,1,0|3,0,0]=4 36 B10R1.31 NC(=O)[C@H]1CCN(C1)C=O 58766c7a8598839eaef6c81ac1d0590d [0,0,0,0,1,0|3,0,0]=4 37 B10R1.31 NC(=S)C1CCN(C1)C=O ede5d15d2fd50aa69dda0a2f015a04ae [0,0,0,0,1,0|3,0,0]=4 38 B12R1.4 C=C(C)CN1CCC(CC1)C=O 6c370b702aefdd409aeb4eefa3d2d810 [0,0,0,0,0,1|1,0,2]=4 39 B12R1.4 C=C(C)CN1CCN(CC1)C=O 0710ccded5eeef2c32f077fe210924f6 [0,0,0,0,0,1|2,0,1]=4 40 B12R1.4 CC(=O)CC1CCN(CC1)C=O d793098ccf64d490f287fc29df66f352 [0,0,0,0,0,1|2,0,1]=4 41 B12R1.4 CC(=O)NC1CCN(CC1)C=O 2ab857a54d8b5173f84fffff17ed75c0 [0,0,0,0,0,1|2,0,1]=4 42 B9R0.1 C=C(C)CCNC(=O)C=O 9148a6ce8e756b969aa569b20bbfa438 [1,0,1,0,0,0|2,0,0]=4 43 B9R0.1 C=C(C)CCNC(=O)CC c0849ae324a4527830c5955e89b51c09 [1,0,1,0,0,0|1,0,0]=3 44 B9R0.1 C=C(C)CCNC(=O)CF 97ec382c270aeae27367dc39d9406fa8 [1,0,1,0,0,0|2,0,0]=4 45 B9R0.1 C=C(C)CCNC(=O)CO 34d93ab5ed36ace089117a109aed2076 [1,0,1,0,0,0|2,0,0]=4 46 B9R0.1 C=C(C)CCNC(=O)CS 6ebbb9e0c66818fbcefaad3cd4c54622 [1,0,1,0,0,0|2,0,0]=4 47 B9R0.1 C=C(C)CCNC(C)C=O 43df71f67deba1e9670d934a997b28ba [1,0,1,0,0,0|1,0,1]=4 48 B9R0.1 C=C(C)CCN[C@H](C)C=O 9f6aefe3784797b8d1eda46fd27c5d92 [1,0,1,0,0,0|1,0,1]=4 49 B9R0.1 C=C(C)CCOC(=C)C=O b10ac3189addc0ee171c406d62724415 [1,0,1,0,0,0|1,0,0]=3 50 B9R0.1 C=C(C)CCOC(C)C=O 4cb57bc5ca557f8d37494c9f5d99b4d8 [1,0,1,0,0,0|1,0,1]=4 51 B9R0.1 C=C(C)CCO[C@H](C)C=O 3b4054d59e34118a5304e6ec77e57580 [1,0,1,0,0,0|1,0,1]=4 52 B9R0.1 C=C(C)CNCC(=C)CC 4334e5ef5f52ef2b30a57c5cf6e4b9b9 [1,0,1,0,0,0|1,0,1]=4 53 B9R0.1 C=C(C)CNCC(=C)OC 28e608cc8dfe414d8c58c2c36c2ac099 [1,0,1,0,0,0|2,0,0]=4 54 B9R0.1 C=C(C)CNCC(=O)CC cd454918bf8eb86d4e5c362f8a3004ea [1,0,1,0,0,0|1,0,1]=4 55 B9R0.1 C=C(C)CNCC(=O)NC fbde083ce8d8a2cff785f4d8c062baa1 [1,0,1,0,0,0|2,0,0]=4 56 B9R0.1 C=C(C)CNCC(=O)OC c333e980167d9fefdd828559eb49e425 [1,0,1,0,0,0|2,0,0]=4 57 B9R0.1 C=C(C)COC/C(=C/I)/C b2c0c103ec5773363733879ceb7a32f6 [1,0,1,0,0,0|2,0,0]=4 58 B9R0.1 C=C(C)COCC(=C)CC 23bae63742a406ae9b4e57edc9fdeb54 [1,0,1,0,0,0|1,0,1]=4 59 B9R0.1 C=C(C)COCC(=C)OC 3af4b44923555d9ed756ea233d611a69 [1,0,1,0,0,0|2,0,0]=4 60 B9R0.1 C=C(C)COCC(=CI)C c4054776b87df8dec4a77e1ad8de05dc [1,0,1,0,0,0|2,0,0]=4 61 B9R0.1 C=C(C)COCC(=O)CC 99655a47b1d4e2a1598c06aa759ad9bc [1,0,1,0,0,0|1,0,1]=4 62 B9R0.1 C=C(C)COCC(=O)NC 5b65010df5794686ec07c4d328d5487e [1,0,1,0,0,0|2,0,0]=4 63 B9R0.1 C=C(C)COCC(=O)OC ef2f938506a463bb6101f9cac476c9e5 [1,0,1,0,0,0|2,0,0]=4 64 B9R0.1 C=C(C=O)OCCC(=O)C 97a9b3feed550bdad7937f32f13706da [1,0,1,0,0,0|2,0,0]=4 65 B9R0.1 C=CC(=O)NCCC(=C)C 290771122b4cd28b8f8ffeaa6a130b36 [1,0,1,0,0,0|1,0,1]=4 66 B9R0.50 C=CCCNC(C=O)CC 88fb7fc74d4ffa1dd95483cbe964fddc [1,0,1,0,0,0|1,0,1]=4 67 B9R0.50 C=CCCOC(C=O)CC bb56ab03b94fb70c2ef5fecf3acee9ba [1,0,1,0,0,0|1,0,1]=4 68 B9R0.24 C=C(C=O)OCC(C)CC 94076fbb637be2099fefe5bb74ab7631 [1,0,1,0,0,0|1,0,1]=4 69 B9R0.24 C=C(C=O)OCC(C)OC c907ae157f3e80043ae2be4b92fbffb5 [1,0,1,0,0,0|2,0,0]=4 70 B9R0.24 C=C(C=O)OC[C@@H](C)CC c92820c9001e5f184f75d6985b3ac715 [1,0,1,0,0,0|1,0,1]=4 71 B9R0.24 C=C(C=O)OC[C@@H](C)OC 4333ac0cad3af60fced030b92ff246c3 [1,0,1,0,0,0|2,0,0]=4 72 B9R0.24 C=C(C=O)OC[C@H](C)CC acdcdc2ceb58caf2909e400b4e88cdbc [1,0,1,0,0,0|1,0,1]=4 73 B9R0.24 C=C(C=O)OC[C@H](C)OC d9d15fb34c9eec8b6453049bca84bcd4 [1,0,1,0,0,0|2,0,0]=4 74 B9R0.24 C=CC(C)COC(C)C=O 1fd48ca94cb88b5521f90c79e04bbee4 [1,0,1,0,0,0|1,0,1]=4 75 B9R0.24 C=CC(C)CO[C@H](C)C=O 2de3e4ecb1eb92127e58706b1e119a38 [1,0,1,0,0,0|1,0,1]=4 76 B9R1.1 CC1CCN(CC1)C=O cd1885c4b5a60655a81f4f7aac11f926 [2,0,0,0,0,0|1,0,1]=4 77 B9R1.6 CC(=O)N1CC=CCC1 941519b4d56d0edbf71c96ca78449316 [2,0,0,0,0,0|2,0,0]=4 78 B11R0.171 C=C(C)CNC(=O)/C(=C/C)/CC 77bc1dbdbb7c1ef937606acb256ae35c [0,1,1,0,0,0|2,0,0]=4 79 B11R0.171 C=C(C)CNC(=O)/C(=C\C)/CC 6bcb6c053eaf89e88787387738579d70 [0,1,1,0,0,0|2,0,0]=4 80 B11R0.171 C=C(C)CNC(=O)C(=CC)CC 22eae56bd0fe8ab8f90644c76ad3e330 [0,1,1,0,0,0|2,0,0]=4 81 B11R0.273 C/C=C(\OCCC(=O)C)/C(=O)O cb5f771dd346dfe9d8d99288637c480c [0,1,1,0,0,0|2,0,0]=4 82 B11R0.273 C=C(C)CCNC(C=O)C(C)C 94f862c68ac1e3f5ce3ca7c6dda41953 [0,1,1,0,0,0|1,0,1]=4 83 B11R0.273 C=C(C)CCNC(CC)C(=O)N 068caeed84b2c1c92e99555abb1d3757 [0,1,1,0,0,0|1,0,1]=4 84 B11R0.273 C=C(C)CCNC(CC)C(=O)O f97d30d52023bed5ffc70205aff138e6 [0,1,1,0,0,0|1,0,1]=4 85 B11R0.273 C=C(C)CCN[C@@H](CC)C(=O)N 953fe1f2f44ba4097b56350d929a8263 [0,1,1,0,0,0|1,0,1]=4 86 B11R0.273 C=C(C)CCN[C@@H](CC)C(=O)O e904262b12b2814b572d6038e59ee310 [0,1,1,0,0,0|1,0,1]=4 87 B11R0.273 C=C(C)CCN[C@H](CC)C(=O)O a7a35301b5dad35b722470e8fd118f8c [0,1,1,0,0,0|1,0,1]=4 88 B11R0.273 C=C(C)CCO/C(=C\C)/C(=O)O 4ec1ec123617a59af67aa0b4edecd542 [0,1,1,0,0,0|1,0,0]=3 89 B11R0.273 C=C(C)CCOC(C=O)C(C)C 9e817821170432a51339b929d4dc0e7b [0,1,1,0,0,0|1,0,1]=4 90 B11R0.273 C=C(C)CCOC(CC)C(=O)N 4b3944bed2e153473fa7e0fc406c2a53 [0,1,1,0,0,0|1,0,1]=4 91 B11R0.273 C=C(C)CCOC(CC)C(=O)O 908b3020fd2205e0b0a6cf409b8b9588 [0,1,1,0,0,0|1,0,1]=4 92 B11R0.273 C=C(C)CCO[C@@H](CC)C(=O)O 2705309599bebd9f2082c592d774cc29 [0,1,1,0,0,0|1,0,1]=4 93 B11R0.273 C=C(C)CCO[C@H](CC)C(=O)O 8eee1d55ebf4267a7e372d4e8c198e26 [0,1,1,0,0,0|1,0,1]=4 94 B11R0.120 C=C(C=O)OCC(C)C(=O)OC 2938e1a836a357091270930e46835bad [0,1,1,0,0,0|2,0,0]=4 95 B11R0.120 C=C(C=O)OC[C@@H](C)C(=O)OC 0ec5ccabd8ad15ccc228a5d4b5398d3b [0,1,1,0,0,0|2,0,0]=4 96 B11R0.120 C=C(C=O)OC[C@H](C)C(=O)OC 3d3272f7ecc05c5e8753cac1c9f5960a [0,1,1,0,0,0|2,0,0]=4 97 B11R0.150 C=C(COC(C)C(=O)C)C(=O)O 090840aefa22ba3db373d50b9b7c23a4 [0,1,1,0,0,0|2,0,0]=4 98 B11R0.76 CCC(OC/C=C/C=O)C(=O)N 51734f4b138ba88c234796119b4d6639 [0,1,1,0,0,0|2,0,0]=4 99 B11R1.83 C=CCC1CCN(CC1)C=O 630b583123569c1941ae8476eed8575e [1,1,0,0,0,0|1,0,1]=4 100 B11R1.44 CNC(=O)C1CCN(C1)C=O 9db36402c6628b8407a31e204eea494a [0,1,0,0,1,0|2,0,0]=4 101 B11R1.44 COC(=O)C1CCN(C1)C=O 6b7d46ae00842a32b61a42097a4c5e0c [0,1,0,0,1,0|2,0,0]=4 102 B11R1.44 COC(=O)[C@@H]1CCN(C1)C=O 735b9245dcc170d7a1a91764750db5c8 [0,1,0,0,1,0|2,0,0]=4 103 B11R1.44 COC(=O)[C@H]1CCN(C1)C=O 4af8b137b1dd6accddc3eef7b7fe8757 [0,1,0,0,1,0|2,0,0]=4 104 B11R1.124 CC(=O)C1CCN(C1)CC=O d96cfc98b969e76131ad788e53a906d7 [0,1,0,0,1,0|2,0,0]=4 105 B11R1.175 CC(=O)C1CCN(C1)C(=O)C ea45d0420659d9385d70c36b1cfb028e [0,1,0,0,1,0|2,0,0]=4 106 B13R1.585 C=C(Br)CN1CC=C(CC1)C(=O)O 6fd1ee658480820cc06f8ce56259e2e8 [0,1,0,0,0,1|2,0,0]=4 107 B13R1.585 C=C(C)CN1CC=C(CC1)C(=O)O 10c4fda2f8c9ba09db77d8d45db76008 [0,1,0,0,0,1|1,0,0]=3 108 B13R1.585 C=C(Cl)CN1CC=C(CC1)C(=O)O 6d0ae1c5d3b006b16d584d25f1279b72 [0,1,0,0,0,1|2,0,0]=4 109 B13R1.585 C=C(F)CN1CC=C(CC1)C(=O)O a17493810f322706fc1e7d3b841501ea [0,1,0,0,0,1|2,0,0]=4 110 B13R1.537 C=CC(C)N1CC=C(CC1)C(=O)O 80903fd97e1d4fba4d97ba72d5b81acf [0,2,0,0,0,0|1,0,1]=4 111 B13R1.537 CC(C=O)N1CC=C(CC1)C(=O)O a572ec00a59154b19fbf717a8ae20080 [0,2,0,0,0,0|1,0,1]=4 112 B13R1.537 C[C@H](C=O)N1CC=C(CC1)C(=O)O 36bf7f93220251abd708699fb9f8bcff [0,2,0,0,0,0|1,0,1]=4 113 B13R1.74 C=C(C)C1CC=C(CC1)COCC 32ea1f1bd2a0582d9298f3d4ac9b67e8 [0,2,0,0,0,0|0,0,2]=4 114 B13R1.74 C=C(C)C1CC=C(CC1)COCF cbcaf9113e47b224adf24be7a34eee6f [0,2,0,0,0,0|0,0,2]=4 115 B13R1.74 C=C(C)[C@@H]1CC=C(CC1)COCC e060005495f5f10a66d5982e619c41ee [0,2,0,0,0,0|0,0,2]=4 116 B13R1.74 C=C(C)[C@@H]1CC=C(CC1)COCF c07a1138d693ed9e27866f3b58c0464f [0,2,0,0,0,0|0,0,2]=4 117 B11R1.493 C=C1CC1COC(C=O)CC 71e255d08072027ed7442bd42c39fb98 [0,0,1,1,0,0|1,0,1]=4 118 B9R0.43 C=C(C)CNC(C=O)CC f68a94f669278b965b2e472dbef9fab2 [0,0,1,0,1,0|1,0,1]=4 119 B9R0.43 C=C(C)COC(C=O)CC 7102772e0eb1e6e8b07a7f98878fd33c [0,0,1,0,1,0|1,0,1]=4 120 B9R0.42 C=C(C=O)OC(C)C(=O)C b2a8788d7c2b5df7b6ebbe8c015ed4a7 [0,0,1,0,1,0|2,0,0]=4 121 B9R1.21 C=CC1CCN(C1)C=O ae03312cd24b5a84053b721422fed410 [1,0,0,0,1,0|1,0,0]=3 122 B9R1.21 CCC1CCN(C1)C=O 511eb19254d8c6b5ffcb350a73123905 [1,0,0,0,1,0|1,0,1]=4 123 B9R1.21 COC1CCN(C1)C=O eb1635d26f811d0395c1eac377e68acf [1,0,0,0,1,0|2,0,0]=4 124 B9R1.21 CO[C@@H]1CCN(C1)C=O baabae39a3b9d32bd95572af9b467d63 [1,0,0,0,1,0|2,0,0]=4 125 B9R1.21 CO[C@H]1CCN(C1)C=O 1345142eebbefb838f95222c23ecea5c [1,0,0,0,1,0|2,0,0]=4 126 B11R0.22 C=C(C)CCCOC(C=O)C=O 6eeac727c50db00b1bc282c0390cf716 [0,0,1,0,0,1|1,0,1]=4 127 B11R0.22 C=C(C)CCCOC(C=O)CC 315fb454422789e138fe77593a160f72 [0,0,1,0,0,1|0,0,2]=4 128 B11R0.109 C=C(C=O)OCCC(C)C(=O)C 79240f26acd735c06f2a6b99f2f096eb [0,0,1,0,0,1|1,0,0]=3 129 B11R1.20 C=C(C)CN1CC=C(CC1)Br 5bfc03229361e9d08585b5f5542094bd [1,0,0,0,0,1|2,0,0]=4 130 B11R1.20 CC(=O)NC1CCC(=O)NC1 2c20edcd57d254df4e83afa223ee8101 [1,0,0,0,0,1|2,0,0]=4 131 B11R1.20 CC(=O)N[C@@H]1CCC(=O)NC1 f54c1299831eaed5d58b15e51560fd9b [1,0,0,0,0,1|2,0,0]=4 132 B11R1.20 CC(=O)N[C@H]1CCC(=O)NC1 a99345e4b1619483298accb96066c2a9 [1,0,0,0,0,1|2,0,0]=4 133 B11R1.266 CC(=O)C1CCCN(C1)C=O 0365ece7db093da838f6a18133c721a8 [0,0,0,0,1,1|2,0,0]=4 134 B11R1.266 CC(=O)C1CN(CCO1)C=O 4c609a368db7f077f118a3503ab865e7 [0,0,0,0,1,1|2,0,0]=4 135 B13R1.3 C=C(C)CNC1CCC(CC1)C=O 14273b467bd8e6dcadd5f86800eb8d17 [0,0,0,0,0,2|0,0,2]=4 136 B13R1.3 C=C(C)COC1CC=C(CC1)OC 0a3b7c2f6794d5a2deff2b0416bc625f [0,0,0,0,0,2|2,0,0]=4 137 B13R1.3 C=C(C)COC1CCC(CC1)C=O ea838878ac4d14c6b166a29c6742aa30 [0,0,0,0,0,2|0,0,2]=4 138 B13R1.3 C=C(C)CO[C@H]1CC[C@@H](CC1)C=O b2124d884f632c9638872699ebb026d6 [0,0,0,0,0,2|0,0,2]=4 139 B13R1.3 C=C(C)CO[C@H]1CC[C@H](CC1)C=O 736f3d6567a73ff5965f89cc042558f3 [0,0,0,0,0,2|0,0,2]=4