0 B23R3.66205815 O=CN(CCc1cccs1)[C@H]2CCc3c(cccc3C2)O 87aa900f83ba33c17d4a03592ae24816 [1,0,0,0,0,0|1,0,1]=3 1 B25R3.118080605 C#CC(=O)N(CCc1cccs1)[C@H]2CCc3c(cccc3C2)O 4d7258806ed1025f62e38a2dfeb786d4 [0,1,0,0,0,0|0,0,3]=4 2 B25R3.118080605 C=CC(=O)N(CCc1cccs1)[C@H]2CCc3c(cccc3C2)O ed070ce496117538828705015268b5b1 [0,1,0,0,0,0|0,0,3]=4 3 B25R3.118080605 CCC(=O)N(CCc1cccs1)[C@H]2CCc3c(cccc3C2)O 1c50d5ed5cc87efc87663c6c0b553de2 [0,1,0,0,0,0|0,0,1]=2 4 B25R3.118080605 O=C(CF)N(CCc1cccs1)[C@H]2CCc3c(cccc3C2)O dbbb8f46561ab7e41bd892e63073978c [0,1,0,0,0,0|1,0,1]=3 5 B25R3.118080605 O=C(CO)N(CCc1cccs1)[C@H]2CCc3c(cccc3C2)O df6c6b72cb2761654ad7e831b07fc2c5 [0,1,0,0,0,0|1,0,1]=3 6 B25R3.118080605 O=C(CS)N(CCc1cccs1)[C@H]2CCc3c(cccc3C2)O 78ffbd355dcce087631406e6a7830e12 [0,1,0,0,0,0|1,0,1]=3 7 B25R3.118080605 O=CC(=O)N(CCc1cccs1)[C@H]2CCc3c(cccc3C2)O f79397cf757bf7d9730818b97ce45b6a [0,1,0,0,0,0|1,0,2]=4 8 B25R3.254228470 CCCN(C(=O)Cc1ccco1)C2CCc3c(cccc3C2)O 8c495c265702adf86f1b8e118403fe76 [0,1,0,0,0,0|0,1,1]=3 9 B25R3.254228470 CCCN(C(=O)Cc1cccs1)C2CCc3c(cccc3C2)O 5be4883b52c30f6506d76b002afa5965 [0,1,0,0,0,0|0,0,1]=2 10 B25R3.254228470 CCCN(C(=O)Cc1ccno1)C2CCc3c(cccc3C2)O c9aa9040059da5911094cd07c4eb8784 [0,1,0,0,0,0|1,1,1]=4 11 B25R3.254228470 CCCN(C(=O)Cc1ccon1)C2CCc3c(cccc3C2)O dc199110c9a4694a2cd9f6bb1781c365 [0,1,0,0,0,0|2,0,1]=4 12 B25R3.254228470 CCCN(C(=O)Cc1ccsc1)C2CCc3c(cccc3C2)O 115149017faf259e121c9b3c108937f2 [0,1,0,0,0,0|2,0,1]=4 13 B25R3.254228470 CCCN(C(=O)Cc1cnco1)C2CCc3c(cccc3C2)O 1ab2f1d4d0cff7e53756ad36a6f3cb3b [0,1,0,0,0,0|1,1,1]=4 14 B25R3.254228470 CCCN(C(=O)Cc1cncs1)C2CCc3c(cccc3C2)O 6b830c5d2dbce6af9e429c059cc46136 [0,1,0,0,0,0|1,0,1]=3 15 B25R3.254228470 CCCN(C(=O)Cc1cscn1)C2CCc3c(cccc3C2)O 05f6c17d86898e48f1c64323ade8841a [0,1,0,0,0,0|2,0,1]=4 16 B25R3.254228470 CCCN(C(=O)Cc1nccs1)C2CCc3c(cccc3C2)O e5f3be744757b6d4a1619ef7162b20d2 [0,1,0,0,0,0|1,0,1]=3 17 B25R3.254228470 CCCN(C(=O)Cn1cccc1)C2CCc3c(cccc3C2)O f458657315db9d3d32e3bdfc2728bea6 [0,1,0,0,0,0|2,0,1]=4 18 B25R3.254228470 CCCN(C(=O)Cn1cccn1)C2CCc3c(cccc3C2)O 99a71e61db682ebf22d08c2cff1fa519 [0,1,0,0,0,0|2,0,1]=4 19 B25R3.254228470 CCCN(C(=O)Nc1ccns1)C2CCc3c(cccc3C2)O a9021b2c990d93cde233ac23199e8569 [0,1,0,0,0,0|2,0,1]=4 20 B25R3.254228470 CCCN(C(=S)Nc1ccns1)C2CCc3c(cccc3C2)O 0b2bbc6bd3ff4e7831f7c145ae9b71ea [0,1,0,0,0,0|2,0,1]=4 21 B25R3.254228470 CCCN(C(=S)Nc1cncs1)C2CCc3c(cccc3C2)O b4f754ebcc2387caecb16e99d82bd8c0 [0,1,0,0,0,0|2,0,1]=4 22 B23R2.3318468 CCCN(CCc1cccs1)C(=O)Cc2cccc(c2C)Br 98da630c8de92623f5b3bf45660611fb [0,0,1,0,0,0|2,0,1]=4 23 B23R2.3318468 CCCN(CCc1cccs1)C(=O)Cc2cccc(c2C)C a46f21c12fe7eee23df69c08d4856a19 [0,0,1,0,0,0|2,0,1]=4 24 B23R2.3318468 CCCN(CCc1cccs1)C(=O)Cc2cccc(c2C)F 445e8aa67f3f12c9abbec03fb390d991 [0,0,1,0,0,0|2,0,1]=4 25 B23R2.3318468 CCCN(CCc1cccs1)C(=O)Cc2cccc(c2C)I 9af06f55ac698184ce8c0b3314270b2d [0,0,1,0,0,0|2,0,1]=4 26 B23R2.3318468 CCCN(CCc1cccs1)C(=S)Nc2cccc(c2C)O c7f4482ff8ebd0cfefd64fd56f9bfbd7 [0,0,1,0,0,0|2,0,1]=4 27 B23R2.3318471 CCCN(CCc1cccs1)C(=O)CCc2ccccc2Br 5148d9d679128f1085757ed1f68b984c [0,0,1,0,0,0|2,0,1]=4 28 B23R2.3318471 CCCN(CCc1cccs1)C(=O)CCc2ccccc2Cl 4c01f147d3197272941e08ff31b79340 [0,0,1,0,0,0|2,0,1]=4 29 B23R2.3318471 CCCN(CCc1cccs1)C(=O)CCc2ccccc2F 30e988e58dd77f194102f5d92c88fdbe [0,0,1,0,0,0|2,0,1]=4 30 B23R2.3318471 CCCN(CCc1cccs1)C(=O)CCc2ccccc2I 987c5a7bdbefc31a7a36f947daf807d0 [0,0,1,0,0,0|2,0,1]=4 31 B23R2.3318471 CCCN(CCc1cccs1)C(=O)CCc2ccccc2O 30b395adf7d1c3580da506025f757b94 [0,0,1,0,0,0|1,0,1]=3 32 B23R2.3318471 CCCN(CCc1cccs1)C(=O)COc2ccccc2O f5fada6db1fda033d11f8e5c51881cb5 [0,0,1,0,0,0|2,0,1]=4 33 B23R2.3318471 CCCN(CCc1cccs1)C(=O)CSc2ccccc2O 33ddd30e9c953b8ca69a66b72b2f8929 [0,0,1,0,0,0|2,0,1]=4 34 B23R2.3318471 CCCN(CCc1cccs1)C(=O)NCc2ccccc2O 1a4b477c419683fe8674e8a975ecb009 [0,0,1,0,0,0|2,0,1]=4 35 B23R2.3318471 CCCN(CCc1cccs1)C(=S)NCc2ccccc2O 2a6da6ba7b89ac07ac4a4fe6464780cc [0,0,1,0,0,0|2,0,1]=4 36 B23R2.102880511 CCCN(CCOc1c(cccc1C)C)CCc2cccs2 405960f89f1e1ab4a29314016371bd2c [0,0,1,0,0,0|2,0,0]=3 37 B23R2.102880511 CCCN(CCOc1c(cccc1Cl)Cl)CCc2cccs2 3a99130b5a2e53673b6ccbc2c558f393 [0,0,1,0,0,0|3,0,0]=4 38 B22R2.52506 CCCN(CCc1cccs1)C(=O)Cc2cccc(c2)O c72edc74b63d542530fc03c44546f2bb [1,0,1,0,0,0|1,0,1]=4 39 B22R2.52543 CCCN(CCc1cccs1)C(C=O)Cc2ccccc2 97c4c120f0a2c09bd109e314e7b61450 [1,0,1,0,0,0|1,0,1]=4 40 B22R2.52507 CC(COc1ccccc1)N(CCO)CCc2cccs2 1b9b02bb4c1de8d46ba48c91e9773aa2 [1,0,1,0,0,0|2,0,0]=4 41 B22R2.719804 CCCN(CCCc1ccccc1F)CCc2cccs2 facccb17c2c16cf6f71d60ef68585adc [1,0,1,0,0,0|1,0,0]=3 42 B22R2.719804 CCCN(CCOc1ccccc1C)CCc2cccs2 344a0fd06830f59f30bb451132f7647b [1,0,1,0,0,0|1,0,0]=3 43 B22R2.719804 CCCN(CCOc1ccccc1Cl)CCc2cccs2 3fa5f6989561afef2297146c9f215546 [1,0,1,0,0,0|2,0,0]=4 44 B22R2.719804 CCCN(CCOc1ccccc1F)CCc2cccs2 a64c76dcdb27985d8b2fffe3f32c51f9 [1,0,1,0,0,0|2,0,0]=4 45 B22R2.719804 CCCN(CCSc1ccccc1Cl)CCc2cccs2 3c482503ea645b4ad49ee6bea216b678 [1,0,1,0,0,0|2,0,0]=4 46 B22R2.2878840 CCCN(CCc1cccs1)CCc2ccccc2C=O aea6f32eb7a3ebd569ace778c742c75b [1,0,1,0,0,0|1,0,1]=4 47 B22R2.2878840 CCCN(CCc1cccs1)CCc2ccccc2OC 04e38fce6e04b96d32e3e8b05a550979 [1,0,1,0,0,0|1,0,0]=3 48 B24R2.3870924 CCCN(CCc1cccs1)C(=O)Cc2cccc(c2C)OC d7401e7e2315316776e8626eb5801cdb [0,1,1,0,0,0|1,0,1]=4 49 B24R2.3870927 CCCN(CCc1cccs1)C(=O)CCc2ccccc2OC 1099f399a300eae33e76473f74ab5868 [0,1,1,0,0,0|1,0,1]=4 50 B24R2.28520801 CCCN(CCc1cccs1)C(=O)CCc2ccc(cc2O)O 4f7165e63fabbcf968aadfb635a042e6 [0,1,1,0,0,0|1,0,1]=4 51 B24R2.28520803 CCCN(CCc1cccs1)C(=O)CCc2cc(ccc2O)Br 28c1045c06994b5568413a4d0c97304b [0,1,1,0,0,0|1,0,1]=4 52 B24R2.28520803 CCCN(CCc1cccs1)C(=O)CCc2cc(ccc2O)Cl 87ffe9f9bcf0e4300b308892eaad03a9 [0,1,1,0,0,0|1,0,1]=4 53 B24R2.28520813 CCCN(CCc1cccs1)C(=O)CCc2cccc(c2O)O b0e9c85af2f953548fe389fc9d094b17 [0,1,1,0,0,0|1,0,1]=4 54 B24R3.23924721 CC(=O)N(CCc1cccs1)[C@H]2CCc3c(cccc3C2)O 6f3c00e40972b3c090cf54ec205c9cec [1,1,0,0,0,0|0,0,1]=3 55 B24R3.30891132 CCCN(C(=O)c1ccco1)C2CCc3c(cccc3C2)O e7879f132fa11f232b7c19341edd4c31 [0,1,0,0,1,0|0,1,1]=4 56 B24R3.30891132 CCCN(C(=O)c1cccs1)C2CCc3c(cccc3C2)O 044cca6ea0f913108dda709bc7d64a8a [0,1,0,0,1,0|0,0,1]=3 57 B24R3.30891132 CCCN(C(=O)c1ccns1)C2CCc3c(cccc3C2)O 7897064ec8aae0862eabc2809336eb12 [0,1,0,0,1,0|1,0,1]=4 58 B24R3.30891132 CCCN(C(=O)c1cncs1)C2CCc3c(cccc3C2)O f4e1698706bd4092ff6f3fe5e9a3c26a [0,1,0,0,1,0|1,0,1]=4 59 B24R3.30891132 CCCN(C(=O)c1nccs1)C2CCc3c(cccc3C2)O 910440f5d7d37cdc7f0fd370712234d5 [0,1,0,0,1,0|1,0,1]=4 60 B26R3.43711927 CCCN(C(=O)Cc1ccccn1)C2CCc3c(cccc3C2)O 82220952b654c2c5fb1f22de19eee80d [0,1,0,0,0,1|1,0,1]=4 61 B26R3.43711927 CCCN(C(=O)Cc1cccnc1)C2CCc3c(cccc3C2)O fa67576c51204addddf5e117bf85a6d0 [0,1,0,0,0,1|1,0,1]=4 62 B26R3.43711927 CCCN(C(=O)Cc1ccncc1)C2CCc3c(cccc3C2)O b33e99ee81453c6ad2fce83b81e43847 [0,1,0,0,0,1|1,0,1]=4 63 B26R3.43711927 CCCN(C(=O)Cc1ccncn1)C2CCc3c(cccc3C2)O ebc47c600be8be3dedcbc92fb95d3eb8 [0,1,0,0,0,1|1,0,1]=4 64 B26R3.43711927 CCCN(C(=O)Cc1cnccn1)C2CCc3c(cccc3C2)O e341cb8eb25075a2f7d0b378b34092cd [0,1,0,0,0,1|1,0,1]=4 65 B26R3.43711927 CCCN(C(=O)Cc1ncccn1)C2CCc3c(cccc3C2)O 79a9192cc9cbe10c263fe5e109d8bf89 [0,1,0,0,0,1|1,0,1]=4 66 B26R3.302288628 CCCN(C(=O)/C=C/c1cccs1)C2CCc3c(cccc3C2)O 51d57a7d5e1a8c7d1a7c28d3acc87500 [0,1,0,0,0,1|0,0,2]=4 67 B26R3.302288628 CCCN(C(=O)/C=C\c1cccs1)C2CCc3c(cccc3C2)O d28eaa0a1f07ed7b376f0d87bfdc855e [0,1,0,0,0,1|0,0,2]=4 68 B26R3.302288628 CCCN(C(=O)C#Cc1cccs1)C2CCc3c(cccc3C2)O 77c4fb86f579dadcb18246ed58fcda75 [0,1,0,0,0,1|0,0,2]=4 69 B26R3.302288628 CCCN(C(=O)C=Cc1cccs1)C2CCc3c(cccc3C2)O 4d64b9bdc2417f6d9773c16634e01629 [0,1,0,0,0,1|0,0,2]=4 70 B26R3.302288628 CCCN(C(=O)CCc1ccco1)C2CCc3c(cccc3C2)O 01b6d9470abb1766ae427b060d1e00eb [0,1,0,0,0,1|0,1,0]=3 71 B26R3.302288628 CCCN(C(=O)CCc1cccs1)C2CCc3c(cccc3C2)O 9a8f9bcf56cf6301e93726b35edc8b9d [0,1,0,0,0,1|0,0,0]=2 72 B26R3.302288628 CCCN(C(=O)CCc1ccno1)C2CCc3c(cccc3C2)O dc5dcc78998e57c25d80f8d681ca7ef0 [0,1,0,0,0,1|1,1,0]=4 73 B26R3.302288628 CCCN(C(=O)CCc1ccon1)C2CCc3c(cccc3C2)O a1a31d6158114fbde2966c597bb51d5f [0,1,0,0,0,1|2,0,0]=4 74 B26R3.302288628 CCCN(C(=O)CCc1ccsc1)C2CCc3c(cccc3C2)O 3efe46c96d66e294b756f3a0785490e3 [0,1,0,0,0,1|2,0,0]=4 75 B26R3.302288628 CCCN(C(=O)CCc1ccsn1)C2CCc3c(cccc3C2)O c05ef50f668baa26637a5f1a9f0be787 [0,1,0,0,0,1|2,0,0]=4 76 B26R3.302288628 CCCN(C(=O)CCc1cncs1)C2CCc3c(cccc3C2)O 8821a89ab22a9543198c807188e9665a [0,1,0,0,0,1|1,0,0]=3 77 B26R3.302288628 CCCN(C(=O)CCc1cscn1)C2CCc3c(cccc3C2)O 373d8d751115dc5d7bb258d982155558 [0,1,0,0,0,1|2,0,0]=4 78 B26R3.302288628 CCCN(C(=O)CCc1nccs1)C2CCc3c(cccc3C2)O c1ad738679ed12636ff5728561330c97 [0,1,0,0,0,1|1,0,0]=3 79 B26R3.302288628 CCCN(C(=O)CCn1cccc1)C2CCc3c(cccc3C2)O 362c38cbdb338063989b3fc7d3f2c37e [0,1,0,0,0,1|2,0,0]=4 80 B26R3.302288628 CCCN(C(=O)CCn1cccn1)C2CCc3c(cccc3C2)O 0d3e12a73bdd5479a5745380f6e6a25d [0,1,0,0,0,1|2,0,0]=4 81 B26R3.302288628 CCCN(C(=O)CSc1cccs1)C2CCc3c(cccc3C2)O 9a4bc583d0153361be54ced2e1ba871a [0,1,0,0,0,1|0,0,1]=3 82 B26R3.302288628 CCCN(C(=O)CSc1nccs1)C2CCc3c(cccc3C2)O 92cbd4d8067b84c49c76cf49401650e5 [0,1,0,0,0,1|1,0,1]=4 83 B26R3.302288628 CCCN(C(=O)NCc1ccc[nH]1)C2CCc3c(cccc3C2)O a22c21420478bb8961b1d7cc5e19b313 [0,1,0,0,0,1|1,0,1]=4 84 B26R3.302288628 CCCN(C(=O)NCc1ccco1)C2CCc3c(cccc3C2)O f371b885e708b75ac7405a34624dee91 [0,1,0,0,0,1|0,1,1]=4 85 B26R3.302288628 CCCN(C(=O)NCc1cccs1)C2CCc3c(cccc3C2)O 7d04f17a846b679408ddc3bea769b69a [0,1,0,0,0,1|0,0,1]=3 86 B26R3.302288628 CCCN(C(=O)NCc1ccns1)C2CCc3c(cccc3C2)O f95935fc2d7e4090c33a8fa1195981d5 [0,1,0,0,0,1|1,0,1]=4 87 B26R3.302288628 CCCN(C(=O)NCc1cncs1)C2CCc3c(cccc3C2)O 58f83341939f20d0e0cb9e669c351ddc [0,1,0,0,0,1|1,0,1]=4 88 B26R3.302288628 CCCN(C(=O)NCc1nccs1)C2CCc3c(cccc3C2)O 7eecd9b6ad92c3074b2635f37c0c34cf [0,1,0,0,0,1|1,0,1]=4 89 B26R3.302288628 CCCN(C(=S)NCc1ccc[nH]1)C2CCc3c(cccc3C2)O e7212d5da2edd2ec8a55e53a3217849f [0,1,0,0,0,1|1,0,1]=4 90 B26R3.302288628 CCCN(C(=S)NCc1ccco1)C2CCc3c(cccc3C2)O 2ce39212ffdc909922d91c419f74e302 [0,1,0,0,0,1|0,1,1]=4 91 B26R3.302288628 CCCN(C(=S)NCc1cccs1)C2CCc3c(cccc3C2)O ea6f920a2a37366b94f95e9cae84bbe2 [0,1,0,0,0,1|0,0,1]=3 92 B26R3.302288628 CCCN(C(=S)NCc1ccns1)C2CCc3c(cccc3C2)O 8d95d0a6817fba8ee328b2a65040ef66 [0,1,0,0,0,1|1,0,1]=4 93 B26R3.302288628 CCCN(C(=S)NCc1cncs1)C2CCc3c(cccc3C2)O f52d8ce45b8aefaefce79299279193d1 [0,1,0,0,0,1|1,0,1]=4 94 B26R3.302288628 CCCN(C(=S)NCc1nccs1)C2CCc3c(cccc3C2)O 8d0a3ce9e43c1c2511b11a0201435b22 [0,1,0,0,0,1|1,0,1]=4 95 B26R3.33375622 C=C(C)C(=O)N(CCc1cccs1)[C@H]2CCc3c(cccc3C2)O 179e948d9741433cc8c09be841664b74 [0,2,0,0,0,0|0,0,2]=4 96 B26R3.33375622 CC(=O)C(=O)N(CCc1cccs1)[C@H]2CCc3c(cccc3C2)O aaa969ff810042d96602b191c6a09f88 [0,2,0,0,0,0|0,0,2]=4 97 B26R3.33375622 CC(F)C(=O)N(CCc1cccs1)[C@H]2CCc3c(cccc3C2)O 82a48ffad9cab7b782aa03d7355851fe [0,2,0,0,0,0|0,0,1]=3 98 B26R3.33375622 CC(O)C(=O)N(CCc1cccs1)[C@H]2CCc3c(cccc3C2)O 8eaa4ee110192154573cee9fc3a34252 [0,2,0,0,0,0|0,0,1]=3 99 B26R3.33375622 CC(S)C(=O)N(CCc1cccs1)[C@H]2CCc3c(cccc3C2)O 0a39a34828059d972920ec43119e4b6e [0,2,0,0,0,0|0,0,1]=3 100 B26R3.33375622 C[C@@H](F)C(=O)N(CCc1cccs1)[C@H]2CCc3c(cccc3C2)O 75d01fae6aea35b6d4392eefd87f8a73 [0,2,0,0,0,0|0,0,1]=3 101 B26R3.33375622 C[C@@H](O)C(=O)N(CCc1cccs1)[C@H]2CCc3c(cccc3C2)O fd1452792e1543732e031e984b76f57e [0,2,0,0,0,0|0,0,1]=3 102 B26R3.33375622 C[C@H](F)C(=O)N(CCc1cccs1)[C@H]2CCc3c(cccc3C2)O 4788b5b69af2d1fae275da4a9ffb97d1 [0,2,0,0,0,0|0,0,1]=3 103 B26R3.33375622 C[C@H](O)C(=O)N(CCc1cccs1)[C@H]2CCc3c(cccc3C2)O 6699e0768556c46be7ecd1c8ee8c22a8 [0,2,0,0,0,0|0,0,1]=3 104 B26R3.33375622 O=C(C(F)F)N(CCc1cccs1)[C@H]2CCc3c(cccc3C2)O db84c31a3234a854e42c36a5b6cc4c28 [0,2,0,0,0,0|1,0,1]=4 105 B26R3.33375622 O=C(C(O)O)N(CCc1cccs1)[C@H]2CCc3c(cccc3C2)O 7f4bcf93dd700d546a88ff43e94edaed [0,2,0,0,0,0|1,0,1]=4 106 B26R3.302285493 CCCN(C(=O)C(=O)c1cccs1)C2CCc3c(cccc3C2)O 391b61300f49d263700e9ca162b098a0 [0,2,0,0,0,0|0,0,2]=4 107 B26R3.821274890 CCCN(C(=O)Cc1cccn1C)C2CCc3c(cccc3C2)O c7bdc7509b75e8f8da34f53e3e530f9d [0,2,0,0,0,0|1,0,1]=4 108 B26R3.821274890 CCCN(C(=O)Cc1occc1Cl)C2CCc3c(cccc3C2)O 801df2c403230ee82431f804e44f8337 [0,2,0,0,0,0|0,1,1]=4 109 B26R3.821274890 CCCN(C(=O)Cc1sccc1C)C2CCc3c(cccc3C2)O 1c5fa745578357670dc0fb7d8f727e42 [0,2,0,0,0,0|0,0,1]=3 110 B26R3.821274890 CCCN(C(=O)Cc1sccc1Cl)C2CCc3c(cccc3C2)O 03798063f223da9dff59cf8ccbb37a67 [0,2,0,0,0,0|0,0,1]=3 111 B26R3.821274890 CCCN(C(=O)Cc1scnc1C)C2CCc3c(cccc3C2)O 87694f9194a188fd9f3a266963d6c579 [0,2,0,0,0,0|1,0,1]=4 112 B26R3.95458778 C#CCC(=O)N(CCc1cccs1)[C@H]2CCc3c(cccc3C2)O a8ecf265900d38ac5d5f296a413df1a2 [0,2,0,0,0,0|0,0,2]=4 113 B26R3.95458778 C/C=C/C(=O)N(CCc1cccs1)[C@H]2CCc3c(cccc3C2)O a3d9cef59a5bff0e15034ea328e4db55 [0,2,0,0,0,0|0,0,2]=4 114 B26R3.95458778 C=CCC(=O)N(CCc1cccs1)[C@H]2CCc3c(cccc3C2)O 7fe424432f0043ca334fb846e43b0973 [0,2,0,0,0,0|0,0,2]=4 115 B26R3.95458778 CC#CC(=O)N(CCc1cccs1)[C@H]2CCc3c(cccc3C2)O 94b2278b01c969025b367a4dfa407649 [0,2,0,0,0,0|0,0,2]=4 116 B26R3.95458778 CCCC(=O)N(CCc1cccs1)[C@H]2CCc3c(cccc3C2)O ffa7b63fb4cf4beb74cb5d8920a9af24 [0,2,0,0,0,0|0,0,0]=2 117 B26R3.95458778 COCC(=O)N(CCc1cccs1)[C@H]2CCc3c(cccc3C2)O ca19811d5319cb301c29e492f68fc1b6 [0,2,0,0,0,0|0,0,1]=3 118 B26R3.95458778 CSCC(=O)N(CCc1cccs1)[C@H]2CCc3c(cccc3C2)O 8402b515154bacc812069cfc877ddc23 [0,2,0,0,0,0|0,0,1]=3 119 B26R3.95458778 N#CCC(=O)N(CCc1cccs1)[C@H]2CCc3c(cccc3C2)O 85723a856b2e048333f25ba853a028f8 [0,2,0,0,0,0|0,0,2]=4 120 B26R3.95458778 NOCC(=O)N(CCc1cccs1)[C@H]2CCc3c(cccc3C2)O 13e8f5561d3ffc7682e16b50517be88d [0,2,0,0,0,0|1,0,1]=4 121 B26R3.95458778 O=C(CCF)N(CCc1cccs1)[C@H]2CCc3c(cccc3C2)O b164828ce5d42bd7549f25f3f369ba07 [0,2,0,0,0,0|0,0,1]=3 122 B26R3.95458778 O=C(CCO)N(CCc1cccs1)[C@H]2CCc3c(cccc3C2)O 1f12407e687c7297bd8a1b337e471aa8 [0,2,0,0,0,0|0,0,1]=3 123 B26R3.95458778 O=C(CCS)N(CCc1cccs1)[C@H]2CCc3c(cccc3C2)O a9f851e07cc065b83f8c81c0153848cd [0,2,0,0,0,0|0,0,1]=3 124 B26R3.95458778 O=CCC(=O)N(CCc1cccs1)[C@H]2CCc3c(cccc3C2)O 8a0062a76d542695ffc369a7983f3665 [0,2,0,0,0,0|0,0,2]=4 125 B26R3.821274893 CCCN(C(=O)Cc1cc(cs1)Br)C2CCc3c(cccc3C2)O 3c42c265776a305ccba1365759cd25b9 [0,2,0,0,0,0|0,0,1]=3 126 B26R3.821274893 CCCN(C(=O)Cc1ccc(o1)C)C2CCc3c(cccc3C2)O 2f81f3688c51eb0608b3376bc645a01f [0,2,0,0,0,0|0,1,1]=4 127 B26R3.821274893 CCCN(C(=O)Cc1ccc(s1)Br)C2CCc3c(cccc3C2)O 1c95af287292e98c7b5e8dc3c0f90b7b [0,2,0,0,0,0|0,0,1]=3 128 B26R3.821274893 CCCN(C(=O)Cc1ccc(s1)C)C2CCc3c(cccc3C2)O e15d23606025dd84e7ee946679a3c58d [0,2,0,0,0,0|0,0,1]=3 129 B26R3.821274893 CCCN(C(=O)Cc1ccc(s1)Cl)C2CCc3c(cccc3C2)O 52e663a30d2cf2bf1de69937bfe0e30e [0,2,0,0,0,0|0,0,1]=3 130 B26R3.821274893 CCCN(C(=O)Cc1cnc(s1)Br)C2CCc3c(cccc3C2)O 95ae987a00827d88c538f73c3ebd2933 [0,2,0,0,0,0|1,0,1]=4 131 B26R3.821274893 CCCN(C(=O)Cc1cnc(s1)C)C2CCc3c(cccc3C2)O 6c3b723792f9d3834bfc23091ac3a45b [0,2,0,0,0,0|1,0,1]=4 132 B26R3.821274893 CCCN(C(=O)Cc1nc(cs1)C)C2CCc3c(cccc3C2)O 52e7c45f132bef98f47a191de923700d [0,2,0,0,0,0|1,0,1]=4 133 B26R3.821274893 CCCN(C(=O)Cc1nc(cs1)Cl)C2CCc3c(cccc3C2)O dd7a8ed819c8b1d3fdae2127d5a1c019 [0,2,0,0,0,0|1,0,1]=4 134 B26R3.29870670 CCCN(CCc1cccs1)C2CCc3c(cccc3OCC)C2 42ec5134b49fc204ee77498e4fd1b272 [0,2,0,0,0,0|0,0,0]=2 135 B26R3.29870670 CCCN(CCc1cccs1)C2CCc3c(cccc3OCF)C2 203ce131a76d962082dbdf43b3667e6b [0,2,0,0,0,0|0,0,0]=2 136 B26R3.29870670 CCCN(CCc1cccs1)[C@H]2CCc3c(cccc3OCC)C2 b73f2285f3c231c49da20d8b600eabc2 [0,2,0,0,0,0|0,0,0]=2 137 B26R3.29870670 CCCN(CCc1cccs1)[C@H]2CCc3c(cccc3OCF)C2 d5d23a1fc2d9e15d9ef028685441fd1d [0,2,0,0,0,0|0,0,0]=2 138 B26R3.29870670 CCCN(CCc1ccsc1)C2CCc3c(cccc3OCC)C2 9b3f636120a3000a2b8ef236dd1977cd [0,2,0,0,0,0|2,0,0]=4 139 B26R3.29870670 CCCN(CCc1ccsc1)C2CCc3c(cccc3OCF)C2 81960743200c6adbecb48fdf4a2be82c [0,2,0,0,0,0|2,0,0]=4 140 B24R3.66512717 CCCN(CCc1cccs1)C(=O)C2Cc3ccccc3O2 ad43d6c4fb4554e5f15b0519e327e681 [0,0,1,1,0,0|1,0,1]=4 141 B24R4.6998 c1ccc2c(c1)CCC(C2)N3CCCC(C3)c4cnco4 3452b6cc622599afb8401aab39542524 [1,0,0,1,0,0|1,1,0]=4 142 B24R4.6998 c1ccc2c(c1)CCC(C2)N3CCCC(C3)c4cncs4 9a085adbfcfb9133047d53667d44530f [1,0,0,1,0,0|1,0,0]=3 143 B24R4.6998 c1ccc2c(c1)CCC(C2)N3CCCC(C3)c4ncc[nH]4 4211154821507525013375fabada40fc [1,0,0,1,0,0|2,0,0]=4 144 B24R4.1584617 c1ccc2c(c1)CCC(C2)N3CCCC3Cn4cccn4 3694942bb103c18ea7708df8d861fc15 [1,0,0,1,0,0|2,0,0]=4 145 B22R2.2878642 CCCN(CCc1cccs1)C(=O)c2cccc(c2C)O 9d1c546da49f8ac46d9e33eedea4c395 [0,0,1,0,1,0|1,0,1]=4 146 B22R2.726727 CCCN(Cc1cccs1)C(=O)CCc2ccccc2O 2c8c91c383ad8eafbcd196b2a8c1dc36 [0,0,1,0,1,0|1,0,1]=4 147 B22R2.2878835 CCCN(CCc1cccs1)Cc2cccc(c2OC)Br 875a50058689f13c9d7c299ea9ac7cc8 [0,0,1,0,1,0|2,0,0]=4 148 B22R2.2878835 CCCN(CCc1cccs1)Cc2cccc(c2OC)C 1ef1955a9e851f22db988d8707fc27c2 [0,0,1,0,1,0|2,0,0]=4 149 B22R2.2878835 CCCN(CCc1cccs1)Cc2cccc(c2OC)Cl 8472f4b8d9de42f78cf5e3ec49862125 [0,0,1,0,1,0|2,0,0]=4 150 B22R2.2878835 CCCN(CCc1cccs1)Cc2cccc(c2OC)F e386077845d154d2e05b3afd8cdb2315 [0,0,1,0,1,0|2,0,0]=4 151 B22R2.2195403 CCCN(CCOc1c(cccc1C)C)Cc2cccs2 3e67f76d8cc82455e5ff0774628523b2 [0,0,1,0,1,0|2,0,0]=4 152 B22R2.12569365 CCCN(CCc1cccs1)CCc2c(cccc2Cl)Cl 6c77cbc630cbc92ad6fbe92c4bf7d897 [0,0,1,0,1,0|2,0,0]=4 153 B22R2.12569365 CCCN(CCc1cccs1)CCc2c(cccc2F)F 79468c7590beb3c883b6edc97f6e6036 [0,0,1,0,1,0|2,0,0]=4 154 B22R3.87484 C#CCN(CCc1cccs1)C2CCc3c2cccc3 e2f65ea80bef9d80ba29c89244924b34 [1,0,0,0,1,0|0,0,2]=4 155 B22R3.87484 C#CCN(CCc1cccs1)[C@@H]2CCc3c2cccc3 876ff02b63394c410115bc33ce5e760f [1,0,0,0,1,0|0,0,2]=4 156 B22R3.87484 C#CCN(CCc1cccs1)[C@H]2CCc3c2cccc3 5041891d56ab03e8d73aa050cbc4cd80 [1,0,0,0,1,0|0,0,2]=4 157 B22R3.87484 CCCN(CCc1c[nH]cn1)C2CCc3c2cccc3 2457d8b758c9091d628759971df6bc79 [1,0,0,0,1,0|2,0,0]=4 158 B22R3.87484 CCCN(CCc1cccs1)C2CCc3c2cccc3 716585c639e745c489d7676f8f1ed171 [1,0,0,0,1,0|0,0,0]=2 159 B22R3.87484 CCCN(CCc1ccsc1)C2CCc3c2cccc3 967279aab7dcf7bccc99877aeacfbb78 [1,0,0,0,1,0|2,0,0]=4 160 B22R3.87484 CCCN(CCc1cscn1)C2CCc3c2cccc3 2b60e6e53651ecd0cb719a25a574ffff [1,0,0,0,1,0|2,0,0]=4 161 B22R3.87484 CCCN(CCn1cccc1)C2CCc3c2cccc3 9431d5b7d0b2dcf38d82bdcf3dae0811 [1,0,0,0,1,0|2,0,0]=4 162 B22R3.87484 CCCN(CCn1cccn1)C2CCc3c2cccc3 c7e61e3ee3b0c3a91e81b5607101c2a6 [1,0,0,0,1,0|2,0,0]=4 163 B22R3.13120514 CCCN(c1ncco1)C2CCc3c(cccc3C2)O 243e8dff5b85622bbd464b3f87dd1f9a [0,0,0,0,2,0|1,1,0]=4 164 B24R2.28557754 CCCN(CCc1cccs1)C(=O)CCCc2ccccc2O b9d26fb7aba85e40506982975bbcc232 [0,0,1,0,0,1|1,0,1]=4 165 B24R2.28557754 CCCN(CCc1cccs1)C(=S)NCCc2ccccc2O a7508c331537c1689cfdad790c88313f [0,0,1,0,0,1|1,0,1]=4