0 B8R0.2 CC(C)N(C)C(=O)C=O f20e6cf29c8294a4acacc246f7b2680e [0,0,1,0,0,0|2,0,1]=4 1 B8R0.2 CCN(C)C(=O)C(=O)C f60b3512bf731817ed8f594771284a74 [0,0,1,0,0,0|2,0,1]=4 2 B8R0.2 CCN(C)C(=O)C(=O)N 7875f40b4ff30daf1968926d7731bc9e [0,0,1,0,0,0|2,0,1]=4 3 B8R0.2 CCN(C)C(C)C(=O)O 6f2a7033474106426aec9bd9ed3b37aa [0,0,1,0,0,0|2,0,1]=4 4 B8R0.2 CCN(C)[C@@H](C)C(=O)O ccda40b7947e3ec868172b2d11a39e32 [0,0,1,0,0,0|2,0,1]=4 5 B8R0.2 CCN(C)[C@H](C)C(=O)O a423cd91a719c568f85e9128b6162ae1 [0,0,1,0,0,0|2,0,1]=4 6 B8R0.3 C/C=C(\O)/C(=O)NC#N 8beac7e02e92d8fa950e07a1af6cd19b [0,0,1,0,0,0|2,0,1]=4 7 B8R0.19 C=C(C=O)OC(C)C=O 6e9083411ab06f5ff102a1878674aff6 [0,0,1,0,0,0|2,0,1]=4 8 B8R0.19 C=C(C=O)OC(C)CC c5f7d9036a8fdea0d25979e46bb39add [0,0,1,0,0,0|1,0,2]=4 9 B8R0.19 C=C(C=O)O[C@H](C)C=O 3fdae7cafda354e38a1eb1ee59854785 [0,0,1,0,0,0|2,0,1]=4 10 B8R0.19 C=CC(=O)NC(C)C=C 170b6644ae9ebab2675b900082989c91 [0,0,1,0,0,0|2,0,1]=4 11 B8R0.19 C=CC(=O)NC(C)CC 618b63daf38e12edf0af1cf418a0bd56 [0,0,1,0,0,0|2,0,1]=4 12 B8R0.19 C=CC(=O)N[C@@H](C)CC a3ffc6e9f98d3fec0068c30de1c1aa9d [0,0,1,0,0,0|2,0,1]=4 13 B8R0.19 C=CC(=O)N[C@H](C)CC 7381476a5c4cd38996f0fa157a298c50 [0,0,1,0,0,0|2,0,1]=4 14 B8R0.19 C=CC(C)NC(=O)C=O 45ae257bc0e5bd779342b8ebfaf2fc32 [0,0,1,0,0,0|1,0,2]=4 15 B8R0.19 C=CC(C)NC(=O)CO bfff0c86eaaef97d8840737c1dae3696 [0,0,1,0,0,0|1,0,2]=4 16 B8R0.19 C=CC(C)OC(=C)C=O 8c192ba855365988a6d73bd92d3bddfc [0,0,1,0,0,0|1,0,2]=4 17 B8R0.19 CCC(C)NC(=O)C=O d87e951102d767f8f5aa3b902ef92349 [0,0,1,0,0,0|1,0,2]=4 18 B8R0.19 CCC(C)NC(=O)CO 33a44afa4449469b04b268f3719a3e59 [0,0,1,0,0,0|1,0,2]=4 19 B8R0.19 CC[C@@H](C)NC(=O)C=O 21ac8ac32e78a362dc133e8e3bbda567 [0,0,1,0,0,0|1,0,2]=4 20 B8R0.19 CC[C@@H](C)NC(=O)CO 102bc53795a33daa61b0e6c2cdbc40e6 [0,0,1,0,0,0|1,0,2]=4 21 B8R0.19 CC[C@H](C)NC(=O)C=O e638670223a406eb6167bccd4c1dfde1 [0,0,1,0,0,0|1,0,2]=4 22 B8R0.19 CC[C@H](C)NC(=O)CO 7070ce3ef500a05442ee4538ea055e46 [0,0,1,0,0,0|1,0,2]=4 23 B7R0.2 C=C(C=O)OC(C)C 1024bdfd369573a0f4c5c31da01d34c1 [1,0,1,0,0,0|1,0,1]=4 24 B7R0.2 CCN(C)CC(=O)O ed00a192e609f5d5786e1c989c44eb8f [1,0,1,0,0,0|1,0,1]=4 25 B7R0.5 CC(O)C(C)NC=O 260810e8bba0286df97574f1b44d4d22 [1,0,1,0,0,0|1,0,1]=4 26 B7R0.5 CCNC(O)C(=O)O e57bdce4aa01317f2f019ff8528e5629 [1,0,1,0,0,0|1,0,1]=4 27 B7R0.10 CCN(C)C(=O)C=O db5732fec82020b1e06387d47e0f63dc [1,0,1,0,0,0|1,0,1]=4 28 B7R0.7 C/C=C/C(C)OCC 2ab4f7797f6c67b991e2e31923687bf2 [1,0,1,0,0,0|1,0,1]=4 29 B7R0.7 CC=CC(C)OCC 5361522f2e573115d5b96113c76c93d1 [1,0,1,0,0,0|1,0,1]=4 30 B9R0.27 CC(CO)N(C)C(=O)C=O 019955d469c4a4f2fb947d07dac53f21 [0,1,1,0,0,0|1,0,1]=4 31 B9R0.27 CCN(C)C(=O)C(=O)OC 356657e2714d07f9eafe225612663087 [0,1,1,0,0,0|1,0,1]=4 32 B9R0.27 C[C@@H](CO)N(C)C(=O)C=O 01bf78bb389fce60c05ccab6f86dc7fd [0,1,1,0,0,0|1,0,1]=4 33 B9R0.27 C[C@H](CO)N(C)C(=O)C=O c081b5ef431fc422c7f4d7d80f5a4a25 [0,1,1,0,0,0|1,0,1]=4 34 B9R0.29 CCN(C)C(CO)C(=O)O ab79be6b84ef910271315a0e4bf3fd4b [0,1,1,0,0,0|1,0,1]=4 35 B9R0.29 CCN(C)[C@@H](CO)C(=O)O 4d23087bc5092b5eb7d30309317f714a [0,1,1,0,0,0|1,0,1]=4 36 B9R0.29 CCN(C)[C@H](CO)C(=O)O c41ee58e427dee9f5257488488b326e5 [0,1,1,0,0,0|1,0,1]=4 37 B9R0.8 C#CCNC(=O)/C(=C/C)/O 8d9d1cc6c0a24561419df3e4b7d60477 [0,1,1,0,0,0|1,0,1]=4 38 B9R0.8 C/C=C(/C)\C(=O)NCCBr 2fc6c7a253cd0b1bb9cbedcc8b266e8f [0,1,1,0,0,0|2,0,0]=4 39 B9R0.8 C/C=C(/C)\C(=O)NCCC 76bee184509c6b407a5f278dad37cd89 [0,1,1,0,0,0|2,0,0]=4 40 B9R0.8 C/C=C(/C)\C(=O)NCCF 1871ce01ad45b39420a219ec33e5ecc0 [0,1,1,0,0,0|2,0,0]=4 41 B9R0.8 C/C=C(/C)\C(=O)NCCI 477f566e20ff965fdfc204d07990abd0 [0,1,1,0,0,0|2,0,0]=4 42 B9R0.8 C/C=C(/C)\C(=O)NCCO 23feb92a61c2e6edbb61c13f62ff4788 [0,1,1,0,0,0|2,0,0]=4 43 B9R0.8 C/C=C(/C)\C(=O)NCCS 16ed5275164848605db7c8b01747415a [0,1,1,0,0,0|2,0,0]=4 44 B9R0.8 C/C=C(\Br)/C(=O)NCCBr c3c80b6f5858e6a6c9c6cbb4b7fc1ce7 [0,1,1,0,0,0|2,0,0]=4 45 B9R0.8 C/C=C(\Br)/C(=O)NCCC 6ac93f175cf18b4a0f6eef070e4cfa24 [0,1,1,0,0,0|2,0,0]=4 46 B9R0.8 C/C=C(\Br)/C(=O)NCCF 2a63781edc56ed08a73fa8f3a492dc76 [0,1,1,0,0,0|2,0,0]=4 47 B9R0.8 C/C=C(\Br)/C(=O)NCCI 480dd85c3ec1c61baf60fde6ab722f2b [0,1,1,0,0,0|2,0,0]=4 48 B9R0.8 C/C=C(\Br)/C(=O)NCCO 0d66a896179e4d13401b3594fd04cc3c [0,1,1,0,0,0|2,0,0]=4 49 B9R0.8 C/C=C(\Br)/C(=O)NCCS 9d596d84a008a0322dda18de74058c46 [0,1,1,0,0,0|2,0,0]=4 50 B9R0.8 C/C=C(\C)/C(=O)NCCBr 6f0da8544075d4986aa058c4028dfca9 [0,1,1,0,0,0|2,0,0]=4 51 B9R0.8 C/C=C(\C)/C(=O)NCCC 8612f7fe245bdda74a48ef20b2ceffdb [0,1,1,0,0,0|2,0,0]=4 52 B9R0.8 C/C=C(\C)/C(=O)NCCF 429fccc903c23b9d6a52b50916bd29aa [0,1,1,0,0,0|2,0,0]=4 53 B9R0.8 C/C=C(\C)/C(=O)NCCI d9fb5f204e60c4e10955703375a6f0d9 [0,1,1,0,0,0|2,0,0]=4 54 B9R0.8 C/C=C(\C)/C(=O)NCCO 9141042ed831cd6bb2b91bc81eb7470c [0,1,1,0,0,0|2,0,0]=4 55 B9R0.8 C/C=C(\C)/C(=O)NCCS 9b0e1d81028a21b0faefd54cf47f28a8 [0,1,1,0,0,0|2,0,0]=4 56 B9R0.8 C/C=C(\Cl)/C(=O)NCCBr fbdffb32efcec14215ce5cc2387197e4 [0,1,1,0,0,0|2,0,0]=4 57 B9R0.8 C/C=C(\Cl)/C(=O)NCCC 6736ed1a11a628b0b687c7dc68880baf [0,1,1,0,0,0|2,0,0]=4 58 B9R0.8 C/C=C(\Cl)/C(=O)NCCF 7ce0feac241a68cf3efdc1ae617399be [0,1,1,0,0,0|2,0,0]=4 59 B9R0.8 C/C=C(\Cl)/C(=O)NCCI 28a778e2706211a598804b0767b6d30c [0,1,1,0,0,0|2,0,0]=4 60 B9R0.8 C/C=C(\Cl)/C(=O)NCCO 451a208e24d645bc09fb9258c3662ba1 [0,1,1,0,0,0|2,0,0]=4 61 B9R0.8 C/C=C(\Cl)/C(=O)NCCS 927d3faa820fde1d593f69389c2a7261 [0,1,1,0,0,0|2,0,0]=4 62 B9R0.8 C/C=C(\O)/C(=O)NCC#N 8c4365e2d38de57fb88cb2c00be95431 [0,1,1,0,0,0|1,0,1]=4 63 B9R0.8 C/C=C(\O)/C(=O)NCCBr 80f51710dab47f43307af8e78a38aa23 [0,1,1,0,0,0|1,0,0]=3 64 B9R0.8 C/C=C(\O)/C(=O)NCCC 23ea8aa451a9786ffb4e55e9ca0b886c [0,1,1,0,0,0|1,0,0]=3 65 B9R0.8 C/C=C(\O)/C(=O)NCCF f8c3f9612de438c22b1f38cdfd460c89 [0,1,1,0,0,0|1,0,0]=3 66 B9R0.8 C/C=C(\O)/C(=O)NCCI 5d62649bbceca78f7d55b241193f69eb [0,1,1,0,0,0|1,0,0]=3 67 B9R0.8 C/C=C(\O)/C(=O)NCCO 5dd6eddb5bf709fa88a9b0f6826b31f2 [0,1,1,0,0,0|1,0,0]=3 68 B9R0.8 C/C=C(\O)/C(=O)NCCS ee66338020c43593801f209322a9347d [0,1,1,0,0,0|1,0,0]=3 69 B9R0.8 C=C[C@@H](C)[C@@H](C)OCC=O 30bc13ac94277475dc080dfae3bf104b [0,1,1,0,0,0|1,0,1]=4 70 B9R0.8 C=C[C@@H](C)[C@H](C)OCC=O 140afe62906efb86acb0daf95cb62d67 [0,1,1,0,0,0|1,0,1]=4 71 B9R0.8 C=C[C@H](C)[C@@H](C)OCC=O c8155ea54a4f3741467cbd504451eba0 [0,1,1,0,0,0|1,0,1]=4 72 B9R0.8 C=C[C@H](C)[C@H](C)OCC=O 3420de0d503e3385472e50d78573430a [0,1,1,0,0,0|1,0,1]=4 73 B9R0.8 CC=C(C)C(=O)NCCBr 229790a156714740e48255bc136996a5 [0,1,1,0,0,0|2,0,0]=4 74 B9R0.8 CC=C(C)C(=O)NCCC 9666b21f195424042b6e24bf8eb9f5b9 [0,1,1,0,0,0|2,0,0]=4 75 B9R0.8 CC=C(C)C(=O)NCCF 269393477cb60a70fea0c5c5e64175e2 [0,1,1,0,0,0|2,0,0]=4 76 B9R0.8 CC=C(C)C(=O)NCCI c85d4e0983f9fd9f31c8ead00d207e62 [0,1,1,0,0,0|2,0,0]=4 77 B9R0.8 CC=C(C)C(=O)NCCO 334e98e9ad0563073e45c6b1bee92b55 [0,1,1,0,0,0|2,0,0]=4 78 B9R0.8 CC=C(C)C(=O)NCCS 983f9f4a51ba718858e47301d24374af [0,1,1,0,0,0|2,0,0]=4 79 B9R0.42 C=C(C=O)OC(C)C(=O)C b2a8788d7c2b5df7b6ebbe8c015ed4a7 [0,1,1,0,0,0|1,0,1]=4 80 B11R1.186 CCOC1OC(=O)C(=C1Br)Br 655665fcae72e1fee6827759bdfffd16 [0,2,0,0,0,0|2,0,0]=4 81 B11R1.186 CCOC1OC(=O)C(=C1Cl)Cl 1d1fe3b5716cea4623543e8e6c11a3c0 [0,2,0,0,0,0|2,0,0]=4 82 B11R1.186 O=C1OC(C(=C1Br)Br)OCF 6d2497650d1c9c2937728be705f6bef8 [0,2,0,0,0,0|2,0,0]=4 83 B11R1.186 O=C1OC(C(=C1Cl)Cl)OCF de2bfeebfa74d03094f51c93f9a9595f [0,2,0,0,0,0|2,0,0]=4 84 B11R1.598 CC1=C(C(=O)C(O1)C)OCF 97f5cd2192e644f2da4837bac9fab55b [0,2,0,0,0,0|2,0,0]=4 85 B11R1.598 CC1=C(C(=O)CC1C)OCF b3e16d831c03e9fe20f6b6ca332608b8 [0,2,0,0,0,0|1,0,0]=3 86 B11R1.598 CC1=C(C(=O)OC1C)OCF 210c929bf9bff4ee93063aaee443e625 [0,2,0,0,0,0|0,0,0]=2 87 B11R1.598 CCOC1=C(C(CC1=O)C)C 2972627cb606716a19959ef27880591b [0,2,0,0,0,0|1,0,0]=3 88 B11R1.598 CCOC1=C(C(OC1=O)C)C 2a8ee17e40238da41632ee3707828ff1 [0,2,0,0,0,0|0,0,0]=2 89 B11R1.598 CCOC1=C(OC(C1=O)C)C 3171cd29f0d7e7ed659f06ad01fc668f [0,2,0,0,0,0|2,0,0]=4