0 B5R0.1 CC(=O)NC#N 96e7b4266c4f58edb3348aa5d4644bfa [1,0,0,0,0,0|0,0,2]=3 1 B7R0.2 C#CC(C)NC(=O)C 30a91f9e689320cab67e7176279a027a [0,1,0,0,0,0|2,0,1]=4 2 B7R0.2 C#C[C@@H](C)NC(=O)C b5f4cb4c2ca82f0d4e132f2977db08a6 [0,1,0,0,0,0|2,0,1]=4 3 B7R0.2 C#C[C@H](C)NC(=O)C adfc3d71c946a289355ab55f3775ec5f [0,1,0,0,0,0|2,0,1]=4 4 B7R0.2 C=CC(C)NC(=O)C da0f45e746fe5ddfb85b752dba1a7d5c [0,1,0,0,0,0|2,0,1]=4 5 B7R0.2 CC(=O)NC(C)C#N 5c82a898464bc97e12136e75988ac4b5 [0,1,0,0,0,0|1,0,2]=4 6 B7R0.2 CC(=O)NC(C)CO 5b33fe0ccef9f04a2ffcb97aafaea882 [0,1,0,0,0,0|1,1,1]=4 7 B7R0.2 CC(=O)N[C@@H](C)CO 6858caa5d94a6988c3c1bcaa83d0b2b8 [0,1,0,0,0,0|1,1,1]=4 8 B7R0.2 CC(=O)N[C@H](C)CO 0b20f01b94b45fad0762ce944038f07e [0,1,0,0,0,0|1,1,1]=4 9 B7R0.2 CCC(C)NC(=O)C d52a9bb324dcdb60d53e4e9e2013cb50 [0,1,0,0,0,0|2,0,1]=4 10 B7R0.2 CC[C@@H](C)NC(=O)C c6d5d80303dcfd2ae6eb945ac41b31c0 [0,1,0,0,0,0|2,0,1]=4 11 B7R0.2 CC[C@H](C)NC(=O)C 96d2ad332d2a7d6643a2730e644df4f3 [0,1,0,0,0,0|2,0,1]=4 12 B7R0.2 CN(C=O)CC(=O)N 647b1daaec1cafb5c97dc5a4d13d2291 [0,1,0,0,0,0|2,1,0]=4 13 B7R0.9 CC(=O)NC(C)(C)C a1c7999946c2b3954cecc4a7e85b6160 [0,1,0,0,0,0|2,0,1]=4 14 B7R0.16 CC(=O)N(C)C(C)C 68e786e7c5c4f60e8b7c36108316ab9e [0,1,0,0,0,0|2,0,1]=4 15 B7R1.20 CC(=O)NC1CC1 d75fb765a64005f603eb0ff25694647c [0,0,0,1,0,0|2,0,1]=4 16 B7R0.6 C=C(Br)CNC(=O)C c92ce6fe27dbf36b4b4cd43120064bb5 [0,0,0,0,0,1|2,0,0]=3 17 B7R0.6 C=C(C)CNC(=O)C ba52d227895d114ee452b8b037813db9 [0,0,0,0,0,1|2,0,0]=3 18 B7R0.6 CC(=O)CNC(=O)C 982808bac236d2eb3e7a5c9783b91d18 [0,0,0,0,0,1|1,1,0]=3 19 B7R0.6 CC(=O)CNC(C)C afe0e5afa4a4991702b8d7ba141d2521 [0,0,0,0,0,1|2,0,1]=4 20 B7R0.6 CC(=O)NCC(=O)N 92f9d7b7dd1ea6db16db7dd9d0e64155 [0,0,0,0,0,1|0,1,0]=2 21 B7R0.6 CC(=O)NCC(C)C 133e349c691ad200ad773179becc5ae8 [0,0,0,0,0,1|2,0,1]=4 22 B7R0.6 CC(=O)NCC(C)O 0ffb7326836e65b1a201fca72ad947e5 [0,0,0,0,0,1|1,1,1]=4 23 B7R0.6 CC(=O)NCC(F)F 959be05a9a4844ba21e7e7426b42132e [0,0,0,0,0,1|2,0,1]=4 24 B7R0.6 CC(=O)NC[C@@H](C)O f988b940337d1dc00ccd246da11ece9f [0,0,0,0,0,1|1,1,1]=4 25 B7R0.6 CC(=O)NC[C@H](C)O 1a6130441852f98535cb020ca3c20f02 [0,0,0,0,0,1|1,1,1]=4 26 B7R0.6 CC(C)NCC(=O)N fce70d443053108c75f9dd76e148c70e [0,0,0,0,0,1|1,1,1]=4 27 B7R0.6 CC(C)OCC(=S)N 1cbdee4d5c3385daad7ba959afed69ee [0,0,0,0,0,1|2,0,1]=4 28 B4R0.2 N#CNC=O 59e0103a779e5b0a13a338a320bd9101 [2,0,0,0,0,0|0,0,2]=4 29 B6R0.1 CCC(=O)NC#N 73537d427a9f3c7ed521fc0320b94de6 [1,1,0,0,0,0|0,0,2]=4 30 B6R0.1 N#CNC(=O)CF 68c7bbf575858d00ec753fd2b8317ca7 [1,1,0,0,0,0|0,0,2]=4 31 B6R0.1 N#CNC(=O)CO 236f04c3f08af6bcd8e67780d27f25bf [1,1,0,0,0,0|0,0,2]=4 32 B6R0.3 CCN(C)C(=O)C ad9227383f4996d412a5ced11e9c5417 [1,1,0,0,0,0|1,0,1]=4 33 B6R0.4 C#CCNC(=O)C 4ea0ed9dc6fd35fd030056afb0c47f4f [1,1,0,0,0,0|1,0,1]=4 34 B6R0.4 C=C(Br)CNC=O 2e020a236ab831176aea02028302e186 [1,1,0,0,0,0|2,0,0]=4 35 B6R0.4 C=C(C)CNC=O 0d0687e6ed98c39501c4c0fd9c1a287e [1,1,0,0,0,0|1,1,0]=4 36 B6R0.4 CC(=O)CNC=O 799a78176c711722415c8986d9015770 [1,1,0,0,0,0|0,1,0]=3 37 B6R0.4 CC(=O)CNCF b7881e88fb8b8e6cf10e5a033e11f317 [1,1,0,0,0,0|1,0,1]=4 38 B6R0.4 CC(=O)CNCO 088e087d20fb510bb88def586900e34f [1,1,0,0,0,0|0,1,1]=4 39 B6R0.4 CC(=O)NCC#N 06834e3e3e893456bdb75cd1758cd048 [1,1,0,0,0,0|0,0,2]=4 40 B6R0.4 CC(=O)NCCBr a50b84b8e00a5eea33926a7cde86e5c2 [1,1,0,0,0,0|1,0,1]=4 41 B6R0.4 CC(=O)NCCF 40474d3cc8ff0aef7c3ef76344b9eebb [1,1,0,0,0,0|1,0,1]=4 42 B6R0.4 CC(=O)NCCI baf3590450994f173452759880fb646a [1,1,0,0,0,0|1,0,1]=4 43 B6R0.4 CC(=O)NCCO c7b03ecf194f0f03f4d08fd319920ef5 [1,1,0,0,0,0|0,1,1]=4 44 B6R0.4 CC(=O)NCCS 3cdd66626928bc1a9bac11e682b344a1 [1,1,0,0,0,0|0,0,2]=4 45 B6R0.4 CCCNC(=O)C 2a730f252c249036b45b0d2d9cd73ca4 [1,1,0,0,0,0|1,0,1]=4 46 B6R0.4 CCNCC(=O)C f174d94c45d739e3b909d0bcb7f774b6 [1,1,0,0,0,0|1,0,1]=4 47 B6R0.4 CCNCC(=O)N 9af72e08b410c4df60bd96241a267974 [1,1,0,0,0,0|0,1,1]=4 48 B6R0.4 CCOCC(=S)N 193178db836031b13efc39b5ff902efa [1,1,0,0,0,0|1,0,1]=4 49 B6R0.4 NC(=O)CNC=O 69aa9557cbc9861258c5d0da5bd61a6e [1,1,0,0,0,0|0,1,0]=3 50 B6R0.4 NC(=S)COCF 656cb42c290d81f49517967a9160e9b8 [1,1,0,0,0,0|2,0,0]=4 51 B8R0.9 C#CC(=O)NCC(=O)C e022c1a1be9c879c54777e9a6e6a8b36 [0,1,0,0,0,1|1,1,0]=4 52 B8R0.9 C#CC(=O)NCC(=O)N 2ca35406e7a3e860a89d53aaa434de0f [0,1,0,0,0,1|0,1,1]=4 53 B8R0.9 C=C(Br)CNC(=O)CC c87421a176840d2907d7ee2f29f8c8b6 [0,1,0,0,0,1|2,0,0]=4 54 B8R0.9 C=C(Br)CNC(=O)CF 823766bdbdd8f169807ca1383a6272bf [0,1,0,0,0,1|2,0,0]=4 55 B8R0.9 C=C(Br)CNC(=O)CO 5926a7122547338dc7794442d8cc8a79 [0,1,0,0,0,1|2,0,0]=4 56 B8R0.9 C=C(Br)CNC(=O)CS 6b31e3ba1002a8ba74a06110a2f65b06 [0,1,0,0,0,1|2,0,0]=4 57 B8R0.9 C=C(C)CNC(=O)CC 32c4b91879f81cdaadb4286b48c67a5d [0,1,0,0,0,1|2,0,0]=4 58 B8R0.9 C=C(C)CNC(=O)CF 9e174f36563c098f37022cb2648c32e5 [0,1,0,0,0,1|2,0,0]=4 59 B8R0.9 C=C(C)CNC(=O)CO ea98526bca8d7363ad41fae75f4ac9a5 [0,1,0,0,0,1|2,0,0]=4 60 B8R0.9 C=C(C)CNC(=O)CS 497b396057e3c61f5cc6dfafc46145da [0,1,0,0,0,1|2,0,0]=4 61 B8R0.9 C=CC(=O)NCC(=O)C f3e7b40bd3652c0c7e95694f9b8e4899 [0,1,0,0,0,1|1,1,0]=4 62 B8R0.9 C=CC(=O)NCC(=O)N 20b8ac41e9b4db2afe985e4cd5c593a7 [0,1,0,0,0,1|0,1,1]=4 63 B8R0.9 CC(=O)CNC(=O)C=O e36f5c6f9913c25cdf6ac5993b0393a1 [0,1,0,0,0,1|1,1,0]=4 64 B8R0.9 CC(=O)CNC(=O)CF 51fe56aa9d240d573ecbdb68032eba65 [0,1,0,0,0,1|1,1,0]=4 65 B8R0.9 CC(=O)CNC(=O)CO d375a24b35361625580ca34c6266f702 [0,1,0,0,0,1|1,1,0]=4 66 B8R0.9 CC(=O)CNC(=O)CS 5d679f8f3bae9d6c5d53fb6156c809ab [0,1,0,0,0,1|1,0,1]=4 67 B8R0.9 CC(=O)NCC(=O)NO 859b03f5192e57ca509f1bfda110b8fd [0,1,0,0,0,1|0,1,0]=3 68 B8R0.9 CC(C=O)NCC(=O)N 8e22627cfffb50e4ce2f26bd34026793 [0,1,0,0,0,1|0,1,1]=4 69 B8R0.9 CC(C=O)OCC(=S)N 17fcb6aed05c19bd27c85f051b29d01e [0,1,0,0,0,1|1,0,1]=4 70 B8R0.9 CCC(=O)NCC(=O)C 5911502c3a8395822fc4c0959647e135 [0,1,0,0,0,1|1,1,0]=4 71 B8R0.9 CCC(=O)NCC(=O)N 07cfd3edf39ace2eb27c9b7f36ff92b5 [0,1,0,0,0,1|0,1,0]=3 72 B8R0.9 CNC(=O)CNC(=O)C c907d9576897cc728ca9c254cf3b05e9 [0,1,0,0,0,1|0,1,0]=3 73 B8R0.9 COC(=O)CNC(=O)C b0f97d8003dd4b6278e13b9959e4a2e1 [0,1,0,0,0,1|1,1,0]=4 74 B8R0.9 C[C@H](C=O)NCC(=O)N ef543a8173a46829d7a3deea97b641bf [0,1,0,0,0,1|0,1,1]=4 75 B8R0.9 C[C@H](C=O)OCC(=S)N 813c56be415ed3ab50fca7c8607053a7 [0,1,0,0,0,1|1,0,1]=4 76 B8R0.9 NC(=O)CNC(=O)C=O cc16ecbccf6387f209818c0b1994c242 [0,1,0,0,0,1|0,1,1]=4 77 B8R0.9 NC(=O)CNC(=O)CF db593d89e7670a005c774ca2f8374dfb [0,1,0,0,0,1|0,1,0]=3 78 B8R0.9 NC(=O)CNC(=O)CO 653fe2a259064b2314936bfe631decbe [0,1,0,0,0,1|0,1,0]=3 79 B8R0.9 NC(=O)CNC(=O)CS 6e683197f6fdcf4c8284917873578464 [0,1,0,0,0,1|0,1,0]=3 80 B8R0.23 CC(=O)N(C)CC(=O)N 6f58f2f5ad7b07ef07711fc466f59108 [0,1,0,0,0,1|0,1,0]=3 81 B8R0.23 CC(=O)NC(C)C(=O)N 69ea1b0fb4e1891bc844e1c81cd6f7ed [0,1,0,0,0,1|0,1,0]=3 82 B8R0.23 CC(=O)N[C@@H](C)C(=O)N 1daed479b13f5a4dee80df6bef80207a [0,1,0,0,0,1|0,1,0]=3 83 B8R0.23 CC(=O)N[C@H](C)C(=O)N d4ac5a93c8007d546d5eddc7f5fb26e4 [0,1,0,0,0,1|0,1,0]=3 84 B8R0.2 CC(C(=S)N)N(C)C=O dba731340bcc345787e5a2f74181d905 [0,2,0,0,0,0|2,0,0]=4 85 B8R0.5 CC(=O)CC(=O)NC#N c27733a059944f66e47a0e3b19657040 [0,2,0,0,0,0|1,1,0]=4 86 B8R0.28 C=C(Br)CNCC(=O)C 0d597f53ebe2890dfc6a0457f76a5fcb [0,0,0,0,0,2|2,0,0]=4 87 B8R0.28 C=C(C)CCNC(=O)C aad0094172f39db5c54a5f1ed27a8fb8 [0,0,0,0,0,2|2,0,0]=4 88 B8R0.28 C=C(C)CNCC(=O)C 78f45c6f7509cf460bc1a071e894d38c [0,0,0,0,0,2|2,0,0]=4 89 B8R0.28 C=C(C)CNCC(=O)N 8581ddd0da23c9284f8dc88ea47d82e4 [0,0,0,0,0,2|1,1,0]=4 90 B8R0.28 C=C(C)COCC(=S)N 899b5b017a1ce3379010fe82c20cec70 [0,0,0,0,0,2|2,0,0]=4 91 B8R0.28 C=C(Cl)CNCC(=O)C 6407914012707c1ab5fd2c79654fa535 [0,0,0,0,0,2|2,0,0]=4 92 B8R0.28 C=C(F)CNCC(=O)C 472ef255a1d32a88dcdb7879c6c91d0d [0,0,0,0,0,2|2,0,0]=4 93 B8R0.28 CC(=O)CNCC(=O)N bbda1f980dd395779fd519fc93ff8e42 [0,0,0,0,0,2|0,1,0]=3 94 B8R0.28 CC(=O)CNCC(=O)O 3b62ba43bac1c68066fe81a9d9795c10 [0,0,0,0,0,2|1,1,0]=4 95 B8R0.28 CC(=O)COCC(=O)N 7a09bf9a262295e1e2b0e443dba0be09 [0,0,0,0,0,2|1,1,0]=4 96 B8R0.28 CC(=O)NCC=C(C)C 7c7868b44759d01e31a9aacecfcd8b3c [0,0,0,0,0,2|2,0,0]=4 97 B8R0.28 CC(=O)NCCC(=O)N 827b1ffc457a73bdad9dad1a9ea1d8a3 [0,0,0,0,0,2|0,1,0]=3 98 B8R0.28 CC(=O)NCCC(=S)N 80570d0c786305766e6afa5b1bb610c3 [0,0,0,0,0,2|0,0,0]=2 99 B8R0.28 CC(C)NCCC(=S)N dd4f1fea922619b4f6e264931f2d243c [0,0,0,0,0,2|1,0,1]=4 100 B8R0.28 NC(=O)CNCC(=O)N 1869e6b85d32c869afb793b481c9e53a [0,0,0,0,0,2|1,1,0]=4 101 B8R0.28 NC(=O)CNCC(=O)O f2703709dbe66eb9eafa6a5e3a6833d0 [0,0,0,0,0,2|1,1,0]=4 102 B8R0.28 NC(=O)COCC(=S)N 60355b737487d42bec12930c63b7fb72 [0,0,0,0,0,2|2,0,0]=4 103 B8R0.28 NC(=S)COCC(=O)O 29d31950ca99b5fd12dd696af3cc0c91 [0,0,0,0,0,2|2,0,0]=4