0 B23R3.6222 C#CC1CCN(C1)C(=O)Nc2nnc(s2)N3CCOCC3 2a42dcfc0ee5e12a9f25d37897ede7c8 [0,0,0,0,0,0|4,0,0]=4 1 B23R3.6222 N#CC1CCN(C1)C(=O)Nc2n[nH]c(n2)N3CCOCC3 3fc77a9baa46121bbd57e440ec0bb41d [0,0,0,0,0,0|4,0,0]=4 2 B23R3.6222 N#CC1CCN(C1)C(=O)Nc2nnc(o2)N3CCOCC3 8feb1c836e7050937426c1cedf31eb7d [0,0,0,0,0,0|3,1,0]=4 3 B23R3.6222 N#CC1CCN(C1)C(=O)Nc2nnc(s2)N3CCCCC3 3c5f91d7826111625246ed1bd4c2cd49 [0,0,0,0,0,0|4,0,0]=4 4 B23R3.6222 N#CC1CCN(C1)C(=O)Nc2nnc(s2)N3CCOCC3 cbae7883f6788423224cdec74b22e796 [0,0,0,0,0,0|3,0,0]=3 5 B23R3.6222 N#C[C@@H]1CCN(C1)C(=O)Nc2n[nH]c(n2)N3CCOCC3 21cf36f6ae02adf2688bc95d8e0ce290 [0,0,0,0,0,0|4,0,0]=4 6 B23R3.6222 N#C[C@@H]1CCN(C1)C(=O)Nc2nnc(o2)N3CCOCC3 0a284f94936a9b8c273b49983dfa3fc4 [0,0,0,0,0,0|3,1,0]=4 7 B23R3.6222 N#C[C@@H]1CCN(C1)C(=O)Nc2nnc(s2)N3CCCCC3 c11500c6178176b43e30403bd2a0b13e [0,0,0,0,0,0|4,0,0]=4 8 B23R3.6222 N#C[C@@H]1CCN(C1)C(=O)Nc2nnc(s2)N3CCOCC3 6f7cbfdf7a254e61a1a9582400806776 [0,0,0,0,0,0|3,0,0]=3 9 B23R3.6222 N#C[C@H]1CCN(C1)C(=O)Nc2n[nH]c(n2)N3CCOCC3 9deffe00bfe2e9afb0671f3bcefec99b [0,0,0,0,0,0|4,0,0]=4 10 B23R3.6222 N#C[C@H]1CCN(C1)C(=O)Nc2nnc(o2)N3CCOCC3 d7e88ea9e6ccab4b7fad81ca0a12a151 [0,0,0,0,0,0|3,1,0]=4 11 B23R3.6222 N#C[C@H]1CCN(C1)C(=O)Nc2nnc(s2)N3CCCCC3 48d86e814bd7634b48d50d4a0717b40c [0,0,0,0,0,0|4,0,0]=4 12 B23R3.6222 N#C[C@H]1CCN(C1)C(=O)Nc2nnc(s2)N3CCOCC3 a62cd84d95554a401d6d65ec385b8fd5 [0,0,0,0,0,0|3,0,0]=3 13 B22R3.10658 CN1CCN(C1)C(=O)Nc2nnc(s2)N3CCOCC3 48b45b0b9477d2ee3b295b0cc74cb7d6 [1,0,0,0,0,0|2,0,1]=4 14 B24R3.45881 N#CCC1CCN(C1)C(=O)Nc2nnc(s2)N3CCOCC3 3773918cedf6901a78eb8a0e74bd57f4 [0,1,0,0,0,0|3,0,0]=4 15 B24R3.45881 N#CC[C@@H]1CCN(C1)C(=O)Nc2nnc(s2)N3CCOCC3 3801d8a6060ad53628c64ca9bc40643f [0,1,0,0,0,0|3,0,0]=4 16 B24R3.45881 N#CC[C@H]1CCN(C1)C(=O)Nc2nnc(s2)N3CCOCC3 b34b0188e0c1f55fd92eddd0adf811dd [0,1,0,0,0,0|3,0,0]=4 17 B22R2.24749 CC(C#N)CN(C)C(=O)Nc1nnc(s1)N2CCOCC2 e25f5af4eb39d0ab101372a01a12a6fc [0,0,1,0,0,0|3,0,0]=4 18 B22R3.4683 N#CC1CCN(C1)C(=O)Nc2nnc(s2)N3CCCC3 bb2b4cb7c93c2afd8634b18423282b48 [0,0,0,0,1,0|3,0,0]=4 19 B22R3.4683 N#C[C@@H]1CCN(C1)C(=O)Nc2nnc(s2)N3CCCC3 c4b912403667814140fc1f8419c4c9a0 [0,0,0,0,1,0|3,0,0]=4 20 B22R3.4683 N#C[C@H]1CCN(C1)C(=O)Nc2nnc(s2)N3CCCC3 e49bad6e2466ffa24c3051c663d44b70 [0,0,0,0,1,0|3,0,0]=4 21 B22R3.4795 N#CC1CCN(C1)C(=O)c2ccc(s2)N3CCOCC3 d8c7508961a30351dd1f71418ff8c345 [0,0,0,0,1,0|3,0,0]=4 22 B22R3.4795 N#C[C@@H]1CCN(C1)C(=O)c2ccc(s2)N3CCOCC3 967e79ef88ab6bb64ddb504ce613996e [0,0,0,0,1,0|3,0,0]=4 23 B22R3.4795 N#C[C@H]1CCN(C1)C(=O)c2ccc(s2)N3CCOCC3 ad5d013946531faf90a228a8a11fbd78 [0,0,0,0,1,0|3,0,0]=4 24 B24R3.2458 N#CC1CCN(CC1)C(=O)Nc2nnc(s2)N3CCOCC3 cbf5a527caa1e12e3e92598f56343c9f [0,0,0,0,0,1|3,0,0]=4 25 B24R3.8206 N#CC1CCN(C1)C(=O)Nc2cc(ccn2)N3CCOCC3 7e447b13c8336db88090e976da54b026 [0,0,0,0,0,1|3,0,0]=4 26 B24R3.8206 N#CC1CCN(C1)C(=O)Nc2cc(ncn2)N3CCOCC3 a83c2c6b9bff72cfe0964335935e7bcd [0,0,0,0,0,1|3,0,0]=4 27 B24R3.8206 N#CC1CCN(C1)C(=O)Nc2cncc(n2)N3CCOCC3 e76ae3f1db1abfaac5ad6e311d394a05 [0,0,0,0,0,1|3,0,0]=4 28 B24R3.8206 N#CC1CCN(C1)C(=O)Nc2nccc(n2)N3CCOCC3 e5033e73dc44e60600c74033ef0e874c [0,0,0,0,0,1|3,0,0]=4 29 B24R3.8206 N#CC1CCN(C1)C(=O)Nc2ncnc(n2)N3CCOCC3 336e760bc2a3eaf05e8f3209a89bdeb3 [0,0,0,0,0,1|3,0,0]=4 30 B24R3.8206 N#C[C@@H]1CCN(C1)C(=O)Nc2cc(ccn2)N3CCOCC3 d982887fb39d15a87459b75ab3b6b561 [0,0,0,0,0,1|3,0,0]=4 31 B24R3.8206 N#C[C@@H]1CCN(C1)C(=O)Nc2cc(ncn2)N3CCOCC3 5407619b2c0fc6040c5b676c7c20bbcc [0,0,0,0,0,1|3,0,0]=4 32 B24R3.8206 N#C[C@@H]1CCN(C1)C(=O)Nc2cncc(n2)N3CCOCC3 8e1a2a990642f865d319a784ecfec24c [0,0,0,0,0,1|3,0,0]=4 33 B24R3.8206 N#C[C@@H]1CCN(C1)C(=O)Nc2nccc(n2)N3CCOCC3 1d1b178269640742848d047d02b03e5c [0,0,0,0,0,1|3,0,0]=4 34 B24R3.8206 N#C[C@@H]1CCN(C1)C(=O)Nc2ncnc(n2)N3CCOCC3 50459994236c2b25137eacd907388b32 [0,0,0,0,0,1|3,0,0]=4 35 B24R3.8206 N#C[C@H]1CCN(C1)C(=O)Nc2cc(ccn2)N3CCOCC3 e9b122eda5e7b8b269df2e15e718d940 [0,0,0,0,0,1|3,0,0]=4 36 B24R3.8206 N#C[C@H]1CCN(C1)C(=O)Nc2cc(ncn2)N3CCOCC3 7078e20990cde0a90bf5a87fb519fa38 [0,0,0,0,0,1|3,0,0]=4 37 B24R3.8206 N#C[C@H]1CCN(C1)C(=O)Nc2cncc(n2)N3CCOCC3 db034e84975a5fdb61439dd72c66c53b [0,0,0,0,0,1|3,0,0]=4 38 B24R3.8206 N#C[C@H]1CCN(C1)C(=O)Nc2nccc(n2)N3CCOCC3 b66ce92732eef37517e4536bea6d8afa [0,0,0,0,0,1|3,0,0]=4 39 B24R3.8206 N#C[C@H]1CCN(C1)C(=O)Nc2ncnc(n2)N3CCOCC3 b93ae29ea066877c8a6956c321d20c79 [0,0,0,0,0,1|3,0,0]=4 40 B24R3.8207 C#CC1CCN(C1)C(=O)Nc2ncc(s2)CN3CCOCC3 ece706351ec573f46b127533cbf6bcbf [0,0,0,0,0,1|3,0,0]=4 41 B24R3.8207 N#CC1CCN(C1)C(=O)Nc2ncc(s2)CN3CCCCC3 5af5fd27de49d81d54085aa3ba7e3cd4 [0,0,0,0,0,1|3,0,0]=4 42 B24R3.8207 N#CC1CCN(C1)C(=O)Nc2ncc(s2)CN3CCOCC3 19a10ff72032b1e14d9d88edb0f68806 [0,0,0,0,0,1|2,0,0]=3 43 B24R3.8207 N#CC1CCN(C1)C(=S)Nc2ncc(s2)CN3CCOCC3 5841dcd1ef59f220f3fb2b5042e89a5c [0,0,0,0,0,1|2,1,0]=4 44 B24R3.8207 N#C[C@@H]1CCN(C1)C(=O)Nc2ncc(s2)CN3CCCCC3 a0e8a9c81f840d6df7a330f75779de5d [0,0,0,0,0,1|3,0,0]=4 45 B24R3.8207 N#C[C@@H]1CCN(C1)C(=O)Nc2ncc(s2)CN3CCOCC3 806b00a097a9415227361138ba64e49e [0,0,0,0,0,1|2,0,0]=3 46 B24R3.8207 N#C[C@@H]1CCN(C1)C(=S)Nc2ncc(s2)CN3CCOCC3 06fbd82fa435ccf35fc74c1630eec916 [0,0,0,0,0,1|2,1,0]=4 47 B24R3.8207 N#C[C@H]1CCN(C1)C(=O)Nc2ncc(s2)CN3CCCCC3 d9075804d0746e93b433ebf8d390f62f [0,0,0,0,0,1|3,0,0]=4 48 B24R3.8207 N#C[C@H]1CCN(C1)C(=O)Nc2ncc(s2)CN3CCOCC3 27c5763cfed71118f3d2509f63f203fa [0,0,0,0,0,1|2,0,0]=3 49 B24R3.8207 N#C[C@H]1CCN(C1)C(=S)Nc2ncc(s2)CN3CCOCC3 8793395139f9856d5414e0314f013922 [0,0,0,0,0,1|2,1,0]=4 50 B24R3.8476 N#CC1CCN(C1)C(=O)Nc2ccc(cn2)N3CCOCC3 fa57530e65161f3e7927b28a05fe097e [0,0,0,0,0,1|3,0,0]=4 51 B24R3.8476 N#C[C@@H]1CCN(C1)C(=O)Nc2ccc(cn2)N3CCOCC3 ea92caa152a60c9f4481845771fac0d7 [0,0,0,0,0,1|3,0,0]=4 52 B24R3.8476 N#C[C@H]1CCN(C1)C(=O)Nc2ccc(cn2)N3CCOCC3 7e60af0c1d493411e16089a4f2a45ab3 [0,0,0,0,0,1|3,0,0]=4 53 B21R2.13686 CN(CCC#N)C(=O)Nc1nnc(s1)N2CCOCC2 6d8feaf075c9ba736a5b9c26e7bd1ea4 [1,0,1,0,0,0|2,0,0]=4 54 B21R2.22435 CN(C)CCCC(=O)Nc1nnc(s1)N2CCOCC2 a6efa1d217a923329be952a63fd8489d [1,0,1,0,0,0|1,0,1]=4 55 B21R2.589 CCN(CC#N)C(=O)Nc1nnc(s1)N2CCOCC2 ab40b32043186ed2d676406dd16da0c4 [1,0,1,0,0,0|2,0,0]=4 56 B21R3.625 O=C(Nc1nnc(s1)N2CCOCC2)N3CCNC3 09c3d0702bb4213b858e12e154ee30dd [2,0,0,0,0,0|2,0,0]=4 57 B25R3.11305 N#C[C@H]1CN(C[C@H]1F)C(=O)Nc2ncc(s2)CN3CCOCC3 2799b9e04ad7aea4617abe08d34eafb6 [0,1,0,0,0,1|2,0,0]=4 58 B25R3.56429 N#CCC1CCN(C1)C(=O)Nc2ncc(s2)CN3CCOCC3 acb884a17b9ae06eebd7c644d1133028 [0,1,0,0,0,1|2,0,0]=4 59 B25R3.56429 N#CC[C@@H]1CCN(C1)C(=O)Nc2ncc(s2)CN3CCOCC3 7ccc4cfc16b49dc132773acd89b68dd5 [0,1,0,0,0,1|2,0,0]=4 60 B25R3.56429 N#CC[C@H]1CCN(C1)C(=O)Nc2ncc(s2)CN3CCOCC3 3e7d180fcaa00d2e37184e7598822db0 [0,1,0,0,0,1|2,0,0]=4 61 B23R2.27340 CC(C#N)CN(C)C(=O)Nc1ncc(s1)CN2CCOCC2 268a4153e8185f490400470e24e154e2 [0,0,1,0,0,1|2,0,0]=4 62 B23R2.59901 CCN(CCC#N)C(=O)Nc1ncc(s1)CN2CCOCC2 23de51088e4cede4167f0d2a97cfe842 [0,0,1,0,0,1|2,0,0]=4 63 B23R3.14888 CN1CCN(C1)C(=O)Nc2ncc(s2)CN3CCOCC3 c4aadf5d4520f5d80fe585df172cbd30 [1,0,0,0,0,1|1,0,1]=4 64 B23R3.84504 N#CC1CN(C1)C(=O)Nc2ncc(s2)CN3CCOCC3 789ed053a4afad50463268227ed2d974 [0,0,0,0,1,1|2,0,0]=4 65 B23R3.87020 CCN1CC[C@H]1C(=O)Nc2ncc(s2)CN3CCOCC3 4e61f1a664a21b17399ff8aa6d1c4fcf [0,0,0,0,1,1|1,0,1]=4 66 B25R3.2443 N#CC1CCN(CC1)C(=O)Nc2ncc(s2)CN3CCOCC3 0316d61dcbbe20550c82c3438457ad56 [0,0,0,0,0,2|2,0,0]=4 67 B25R3.10763 CCN1CCC(C1)NC(=O)Nc2ncc(s2)CN3CCOCC3 30300695e0315db9ab6a2f4811480490 [0,0,0,0,0,2|1,0,1]=4 68 B25R3.10763 CCN1CC[C@@H](C1)NC(=O)Nc2ncc(s2)CN3CCOCC3 671b46b7cd7a895de0a72b45cdb30fff [0,0,0,0,0,2|1,0,1]=4 69 B25R3.10763 CCN1CC[C@H](C1)NC(=O)Nc2ncc(s2)CN3CCOCC3 f241f7c101e63b9c591b329125fcb752 [0,0,0,0,0,2|1,0,1]=4 70 B25R3.10763 N#CC1CCC(C1)NC(=S)Nc2ncc(s2)CN3CCOCC3 526f82853dae6283d8992eacc1d9bd02 [0,0,0,0,0,2|1,1,0]=4 71 B25R3.150974 N#CC1CCCN(C1)C(=O)Nc2ncc(s2)CN3CCOCC3 eb8a6955a956a3b7f1a70361bdd22a3a [0,0,0,0,0,2|2,0,0]=4 72 B25R3.150974 N#C[C@@H]1CCCN(C1)C(=O)Nc2ncc(s2)CN3CCOCC3 63121df61f77a687babb002e8e6ce145 [0,0,0,0,0,2|2,0,0]=4