0 B7R0.5 C=C(C)C(=O)NC#N 53243a1f0527c6db68336c41a3fc1ce2 [0,0,0,0,0,0|3,0,1]=4 1 B7R0.5 CC(=O)C(=O)NC#N 6aad5bf92f7f4d6a55adf6db7ffe6213 [0,0,0,0,0,0|2,0,1]=3 2 B7R0.5 CC(=O)C(C)OCF 7c6a7a2752d146ccb367c2a6ec272a5d [0,0,0,0,0,0|2,0,1]=3 3 B7R0.5 CC(=O)N(C)CCF 4c9e9e2bb017d5fcf5d5113705af3b65 [0,0,0,0,0,0|4,0,0]=4 4 B7R0.5 CC(=O)N(C)CCO ba457e3be79fea19f791558c60ef2a77 [0,0,0,0,0,0|4,0,0]=4 5 B7R0.5 CC(OCF)C(=O)N 6a877ba17ca7a0aa924ab8a787d3d31c [0,0,0,0,0,0|3,0,1]=4 6 B7R0.5 CC(OCF)C(=O)O 98938b6366d5b1644ffb60bc89cae3d5 [0,0,0,0,0,0|3,0,1]=4 7 B7R0.5 CCCN(C)C(=O)C 2d9bc06e064dcb0b82800ab570f2482e [0,0,0,0,0,0|3,0,0]=3 8 B7R0.5 CCNC(C)C(=O)N 7d9101ed45213ee882e4c1680fbf78d8 [0,0,0,0,0,0|3,0,1]=4 9 B7R0.5 CCNC(C)C(=O)O a9b19181316f90f96751c71a39f085a0 [0,0,0,0,0,0|3,0,1]=4 10 B7R0.5 CCNC(O)C(=O)O e57bdce4aa01317f2f019ff8528e5629 [0,0,0,0,0,0|2,0,2]=4 11 B7R0.5 CCN[C@@H](C)C(=O)N d3ef0fda784c6fd3be35dd07570fe081 [0,0,0,0,0,0|3,0,1]=4 12 B7R0.5 CCN[C@@H](C)C(=O)O fcc04b18ffb8702755c5613065d53d85 [0,0,0,0,0,0|3,0,1]=4 13 B7R0.5 CCN[C@H](C)C(=O)N ced1ae1ac0990c4f7a1ff4ddde70a04d [0,0,0,0,0,0|3,0,1]=4 14 B7R0.5 CCN[C@H](C)C(=O)O 461a17ce9e067f5c1d30933bc07d8775 [0,0,0,0,0,0|3,0,1]=4 15 B7R0.5 CCOC(C)C(=O)C 04432572fe22b740e86ca5259d0a3bbf [0,0,0,0,0,0|1,0,1]=2 16 B7R0.5 CCOC(C)C(=O)N 3ce53fe24b247e6bbc8d0161ba8adc8b [0,0,0,0,0,0|2,0,1]=3 17 B7R0.5 CCOC(C)C(=O)O 1968a3bf4eb23bbce80f27001c40e3aa [0,0,0,0,0,0|2,0,1]=3 18 B7R0.5 CCOC(C)C(C)C bb142acd6bd0d3536405c513b06eea53 [0,0,0,0,0,0|2,0,2]=4 19 B7R0.5 CCOC(C)C(C)S e76d621ef1113c6e6d1e86237ce3aa29 [0,0,0,0,0,0|1,1,2]=4 20 B7R0.5 CCO[C@@H](C)C(=O)N 886b096e99d61dadf66cd020bfb7d1de [0,0,0,0,0,0|2,0,1]=3 21 B7R0.5 CCO[C@@H](C)C(=O)O f2b03ca68b0ab7d2700716b8fff09b6d [0,0,0,0,0,0|2,0,1]=3 22 B7R0.5 CCO[C@@H](C)C(C)C 730945e6bcfbc2b11622279903eef1de [0,0,0,0,0,0|2,0,2]=4 23 B7R0.5 CCO[C@H](C)C(=O)N 8689cd95b03a5d9ff73691cd92fc4b07 [0,0,0,0,0,0|2,0,1]=3 24 B7R0.5 CCO[C@H](C)C(=O)O 156314018bee2c048aecc9ba30245a68 [0,0,0,0,0,0|2,0,1]=3 25 B7R0.5 CCO[C@H](C)C(C)C 443e2922f1cca86413940e6d728bd16d [0,0,0,0,0,0|2,0,2]=4 26 B7R0.5 C[C@@H](OCF)C(=O)N a8a242c6e5e7f1df942e8a00c665aaa2 [0,0,0,0,0,0|3,0,1]=4 27 B7R0.5 C[C@@H](OCF)C(=O)O eca3562769119aefebca30b8cb46ef3d [0,0,0,0,0,0|3,0,1]=4 28 B7R0.5 C[C@H](OCF)C(=O)N cc20e1724629715f568aafa6de2ccb26 [0,0,0,0,0,0|3,0,1]=4 29 B7R0.5 C[C@H](OCF)C(=O)O 3b1dcb29a34b79a18541896ae618cad0 [0,0,0,0,0,0|3,0,1]=4 30 B7R0.5 N#CNC(=O)C(=O)N 1de373a139b40efbb6c43fb20d1dd5e5 [0,0,0,0,0,0|3,0,1]=4 31 B6R0.1 C=C(C=O)OCC 64c18fcc04a22b045ebc35a9eb4d4363 [1,0,0,0,0,0|1,0,0]=2 32 B6R0.1 C=C(C=O)OCF d1643e67cfe1838c4e32b694bc3648e2 [1,0,0,0,0,0|2,0,0]=3 33 B6R0.1 C=CC(C)OCC 56eed946f70859c9519e59c17b27f8ec [1,0,0,0,0,0|1,0,2]=4 34 B6R0.1 C=C[C@H](C)OCC 1f2a0e5dd56f9e416c2e4c2822c0bb6e [1,0,0,0,0,0|1,0,2]=4 35 B6R0.1 CC(C=O)OCF 65789c25ac421199f1e20366eb603500 [1,0,0,0,0,0|2,0,1]=4 36 B6R0.1 CCCN(C)C=O f55d615150194d8a2881f113e75957ad [1,0,0,0,0,0|3,0,0]=4 37 B6R0.1 CCOC(C)C=O 4021b7076259f80e1751543881198165 [1,0,0,0,0,0|1,0,1]=3 38 B6R0.1 CCOC(C)CC 56a4de537882754d70714e008cda003f [1,0,0,0,0,0|1,0,2]=4 39 B6R0.1 CCO[C@@H](C)CC 1c34d8425f39e9be808db66bb381a14c [1,0,0,0,0,0|1,0,2]=4 40 B6R0.1 CCO[C@H](C)CC 08a1e8fcc5a32008da3650c30e1472a7 [1,0,0,0,0,0|1,0,2]=4 41 B6R0.1 N#CNC(=O)C=O 1f5e87ac61370d0fee6235b020510a93 [1,0,0,0,0,0|2,0,1]=4 42 B6R0.3 CCN(C)C(=O)C ad9227383f4996d412a5ced11e9c5417 [1,0,0,0,0,0|2,0,0]=3 43 B6R0.4 C=C(Br)COCC 4e277d2c9c73644afe7a0bce57cdf0b5 [1,0,0,0,0,0|1,0,2]=4 44 B6R0.4 C=C(C)CNCC ebc18c3c665b43c324efb5852b5613cc [1,0,0,0,0,0|2,0,1]=4 45 B6R0.4 C=C(C)COCC 6d74b37620be58d1bea5b1911ab2feb1 [1,0,0,0,0,0|1,0,1]=3 46 B6R0.4 C=C(C)COCF cb102a3037e49fdd230dfa87a9a6cd9a [1,0,0,0,0,0|2,0,1]=4 47 B6R0.4 C=C(Cl)COCC 7e83f9548d27b7a69b77fbea42966073 [1,0,0,0,0,0|1,0,2]=4 48 B6R0.4 C=C(F)COCC 1657b1ef40f20a415ed1946b6e445fbb [1,0,0,0,0,0|1,0,2]=4 49 B6R0.4 C=C(I)COCC 91286c7e570d24c12cb1f7709ecbaf14 [1,0,0,0,0,0|1,0,2]=4 50 B6R0.4 CC(=O)CNCF b7881e88fb8b8e6cf10e5a033e11f317 [1,0,0,0,0,0|2,0,1]=4 51 B6R0.4 CC(=O)CNCO 088e087d20fb510bb88def586900e34f [1,0,0,0,0,0|2,0,1]=4 52 B6R0.4 CC(=O)COCF dfbfbe0c756744937aaeae603856ac60 [1,0,0,0,0,0|1,0,1]=3 53 B6R0.4 CC(=O)NCCBr a50b84b8e00a5eea33926a7cde86e5c2 [1,0,0,0,0,0|3,0,0]=4 54 B6R0.4 CC(=O)NCCF 40474d3cc8ff0aef7c3ef76344b9eebb [1,0,0,0,0,0|3,0,0]=4 55 B6R0.4 CC(=O)NCCI baf3590450994f173452759880fb646a [1,0,0,0,0,0|3,0,0]=4 56 B6R0.4 CC(=O)NCCO c7b03ecf194f0f03f4d08fd319920ef5 [1,0,0,0,0,0|3,0,0]=4 57 B6R0.4 CC(=O)NCCS 3cdd66626928bc1a9bac11e682b344a1 [1,0,0,0,0,0|3,0,0]=4 58 B6R0.4 CCCNC(=O)C 2a730f252c249036b45b0d2d9cd73ca4 [1,0,0,0,0,0|2,0,0]=3 59 B6R0.4 CCNCC(=O)C f174d94c45d739e3b909d0bcb7f774b6 [1,0,0,0,0,0|1,0,1]=3 60 B6R0.4 CCNCC(=O)N 9af72e08b410c4df60bd96241a267974 [1,0,0,0,0,0|2,0,1]=4 61 B6R0.4 CCNCC(=O)O 4ff54ca579c6d0dc364629f4b9806db8 [1,0,0,0,0,0|2,0,1]=4 62 B6R0.4 CCOCC(=O)C 810b545b1a0c4af358d406c93928b4de [1,0,0,0,0,0|0,0,1]=2 63 B6R0.4 CCOCC(=O)N 8c3995d7bbe4bbb5793da2590cf6473e [1,0,0,0,0,0|1,0,1]=3 64 B6R0.4 CCOCC(=O)O ebe16b0612391447f19756491b2bd7a3 [1,0,0,0,0,0|1,0,1]=3 65 B6R0.4 CCOCC(=S)N 193178db836031b13efc39b5ff902efa [1,0,0,0,0,0|1,1,1]=4 66 B6R0.4 CCOCC(C)C 2ccacce0745bb2fe2e67c6f95de49a4c [1,0,0,0,0,0|1,0,2]=4 67 B6R0.4 CCOCC(C)F 44ebcc9497b122666f7d5bc3ab3ef961 [1,0,0,0,0,0|1,0,2]=4 68 B6R0.4 CCOCC(C)S 1b6e2c538b0c5040f1c381953bd73f14 [1,0,0,0,0,0|0,1,2]=4 69 B6R0.4 CCOCS(=O)O 631a28bb34068ba6343c83c466f36b33 [1,0,0,0,0,0|2,0,1]=4 70 B6R0.4 CCOC[C@@H](C)F 2d70ac2d3ad9d2770f50309e83cd9521 [1,0,0,0,0,0|1,0,2]=4 71 B6R0.4 CCOC[C@H](C)F b1411946299fa054261b7f4dedb203a5 [1,0,0,0,0,0|1,0,2]=4 72 B6R0.4 NC(=O)COCF 5fb009cd2e813c9f1f9e35766b0ec8cb [1,0,0,0,0,0|2,0,1]=4 73 B6R0.4 O=C(O)COCF 7c32fa44d83e7ce6c73842137b12fe20 [1,0,0,0,0,0|2,0,1]=4 74 B8R0.2 C=C(Br)C(=O)N(C)CC 499ad51b72bc9fbfae6b7a8a6ef82289 [0,1,0,0,0,0|2,0,1]=4 75 B8R0.2 C=C(C)C(=O)N(C)CC 6ad58cb6364f07a649e141535260901d [0,1,0,0,0,0|2,0,0]=3 76 B8R0.2 C=C(Cl)C(=O)N(C)CC 68660d5b096ebe21061ad8093614bb89 [0,1,0,0,0,0|2,0,1]=4 77 B8R0.2 C=C(F)C(=O)N(C)CC c4e15bc9d415156035a5b26d7d6c9574 [0,1,0,0,0,0|2,0,1]=4 78 B8R0.2 CCC(C)N(C)C(=O)C 086f7eb815f719734067083abba6aada [0,1,0,0,0,0|3,0,0]=4 79 B8R0.2 CCN(C)C(=O)C(=O)C f60b3512bf731817ed8f594771284a74 [0,1,0,0,0,0|1,0,0]=2 80 B8R0.2 CCN(C)C(=O)C(=O)N 7875f40b4ff30daf1968926d7731bc9e [0,1,0,0,0,0|2,0,0]=3 81 B8R0.2 CCN(C)C(=O)C(C)F 19b9ff8d46076997b028bc3c05129e24 [0,1,0,0,0,0|2,0,1]=4 82 B8R0.2 CCN(C)C(=O)C(C)O a5352a247e4fbdbde43951bdd76212cf [0,1,0,0,0,0|1,0,2]=4 83 B8R0.2 CCN(C)C(=O)C(C)S 90f65a1dd234927c177aa83dd88742df [0,1,0,0,0,0|1,1,1]=4 84 B8R0.2 CCN(C)C(=O)[C@@H](C)F 98c85f2c98da43a1b0d0fc26fa39c6bb [0,1,0,0,0,0|2,0,1]=4 85 B8R0.2 CCN(C)C(=O)[C@@H](C)O c93f85b1b0b9a2ae0efa6c73e0a102c2 [0,1,0,0,0,0|1,0,2]=4 86 B8R0.2 CCN(C)C(=O)[C@H](C)F aea23cf9051deae31a359b32bf8bf1d7 [0,1,0,0,0,0|2,0,1]=4 87 B8R0.2 CCN(C)C(=O)[C@H](C)O fffa58851af97e9d3a93b166b97ca289 [0,1,0,0,0,0|1,0,2]=4 88 B8R0.2 CCN(C)C(C)C(=O)C b0aebe8e13e2528b49b039e15b578c7c [0,1,0,0,0,0|2,0,1]=4 89 B8R0.3 CCC(=O)C(=O)NC#N b79908edefc1d4286650401c0b6ff174 [0,1,0,0,0,0|2,0,1]=4 90 B8R0.3 CCCC(=O)N(C)CC d5f34bd9db3ccc82fc95365990f29579 [0,1,0,0,0,0|3,0,0]=4 91 B8R0.3 CCCN(C)C(=O)CC ad1ab8a0f5c07e6ab73ee22aeb9c71a9 [0,1,0,0,0,0|3,0,0]=4 92 B8R0.3 CCCN(C)C(=O)CF 080c0d4ce746cadf5e3f0d9a56835299 [0,1,0,0,0,0|3,0,0]=4 93 B8R0.3 CCCN(C)C(=O)CO daa5d896fade5a1be51c39257fa3d5b8 [0,1,0,0,0,0|3,0,0]=4 94 B8R0.3 CCCN(C)C(=O)CS bcfb0bbfdb716f32aeb6ae13debe4701 [0,1,0,0,0,0|3,0,0]=4 95 B8R0.3 CCNC(C)C(=O)NC 54efcfcba9f244b93d368cc4afd291fa [0,1,0,0,0,0|2,0,1]=4 96 B8R0.3 CCOC(C)C(=O)OC 80e77c6690e50b9ea6c936f76ec2b497 [0,1,0,0,0,0|1,0,1]=3 97 B8R0.3 CCO[C@@H](C)C(=O)OC 0a1ea57ffacb6be3b6716af86dc8a3ee [0,1,0,0,0,0|1,0,1]=3 98 B8R0.3 CCO[C@H](C)C(=O)OC e42a135486ef83da240a803941dd4003 [0,1,0,0,0,0|1,0,1]=3 99 B8R0.3 CNC(=O)C(=O)NC#N ce9cbe512024f5a241dd8e77114569e1 [0,1,0,0,0,0|2,0,1]=4 100 B8R0.3 COC(=O)C(=O)NC#N 612ad83fdc667be3e202df6abc659ac2 [0,1,0,0,0,0|2,0,1]=4 101 B8R0.3 COC(=O)C(C)OCF 225188b3064670e98f4e80d2140895bc [0,1,0,0,0,0|2,0,1]=4 102 B8R0.3 COC(=O)[C@@H](C)OCF 91f7505b58320e2d5e72e03fb5b0d0c5 [0,1,0,0,0,0|2,0,1]=4 103 B8R0.3 COC(=O)[C@H](C)OCF 1dbcfe62c201ad25840f7e5329cbdc78 [0,1,0,0,0,0|2,0,1]=4 104 B8R0.8 C#CCNC(=O)C(=C)C f4386da108132dfdb098612a421c55a3 [0,1,0,0,0,0|2,0,1]=4 105 B8R0.8 C#CCNC(=O)C(=O)C 4bf053a5aca21e4aa24ed5c79f64ca8d [0,1,0,0,0,0|1,0,1]=3 106 B8R0.8 C#CCNC(=O)C(=O)N 46c62a6b565358f9aa0524caaf8baadf [0,1,0,0,0,0|2,0,1]=4 107 B8R0.8 C#CCOC(C)C(=O)C 92d9c5c0219a15f7e11b9f6ec066d343 [0,1,0,0,0,0|1,0,2]=4 108 B8R0.8 C=C(Br)C(=O)NCCBr 1cf1d8b5cd8563492f30f956f43e2ab7 [0,1,0,0,0,0|2,0,1]=4 109 B8R0.8 C=C(Br)C(=O)NCCC 2837c9555b8dd6316a0bf9942b0335eb [0,1,0,0,0,0|2,0,1]=4 110 B8R0.8 C=C(Br)C(=O)NCCF 3c02adb104912e5424a6eb6de03686c3 [0,1,0,0,0,0|2,0,1]=4 111 B8R0.8 C=C(Br)C(=O)NCCI 96255163c71023f6491b40084ff6d917 [0,1,0,0,0,0|2,0,1]=4 112 B8R0.8 C=C(Br)C(=O)NCCO 54239496ea74d37e783452d70b9a9836 [0,1,0,0,0,0|2,0,1]=4 113 B8R0.8 C=C(Br)C(=O)NCCS 80189983f4c9e177df01419d81f9075c [0,1,0,0,0,0|2,0,1]=4 114 B8R0.8 C=C(C)C(=O)NCC#N 561d6f83173e0b64a4547edc0a2b561b [0,1,0,0,0,0|2,0,1]=4 115 B8R0.8 C=C(C)C(=O)NCCBr 61120e26dbeb4e895f737bdf6d4436bb [0,1,0,0,0,0|2,0,0]=3 116 B8R0.8 C=C(C)C(=O)NCCC 2afd5e95dd9734696b78b1287c8e40c3 [0,1,0,0,0,0|2,0,0]=3 117 B8R0.8 C=C(C)C(=O)NCCF 72013eef2585a0c39d2ebbaa6d0c72b9 [0,1,0,0,0,0|2,0,0]=3 118 B8R0.8 C=C(C)C(=O)NCCI cb5688c5d662b39b7123ac0fec17c67d [0,1,0,0,0,0|2,0,0]=3 119 B8R0.8 C=C(C)C(=O)NCCO 5937f095d3991cd8f739a66f2a9c04e9 [0,1,0,0,0,0|2,0,0]=3 120 B8R0.8 C=C(C)C(=O)NCCS 338ac740b4761d63bc015d9cb77d6c81 [0,1,0,0,0,0|2,0,0]=3 121 B8R0.8 C=C(COCC)C(=O)O b3208edc35f04bc3c761d3282605ef24 [0,1,0,0,0,0|2,0,0]=3 122 B8R0.8 C=C(COCF)C(=O)O 482b63a8a7d21f3e3de9eb1368a89112 [0,1,0,0,0,0|3,0,0]=4 123 B8R0.8 C=C(Cl)C(=O)NCCBr 1548638d4b2103034fbaad74a93ac845 [0,1,0,0,0,0|2,0,1]=4 124 B8R0.8 C=C(Cl)C(=O)NCCC 7fabd2186cb29ffd4c2fa87ca91a4c93 [0,1,0,0,0,0|2,0,1]=4 125 B8R0.8 C=C(Cl)C(=O)NCCF 5bf7f0a7c1d96df9b75ad453b4b4c5f6 [0,1,0,0,0,0|2,0,1]=4 126 B8R0.8 C=C(Cl)C(=O)NCCI fc596b5a100e2ed820703522d6f6c0a0 [0,1,0,0,0,0|2,0,1]=4 127 B8R0.8 C=C(Cl)C(=O)NCCO 437a1b3db660e72eaedf871e5413f921 [0,1,0,0,0,0|2,0,1]=4 128 B8R0.8 C=C(Cl)C(=O)NCCS 008350a5c8d945574ace62f36d2369da [0,1,0,0,0,0|2,0,1]=4 129 B8R0.8 C=C(F)C(=O)NCCBr 0ce9ff02c240164602d9923e9910dcdd [0,1,0,0,0,0|2,0,1]=4 130 B8R0.8 C=C(F)C(=O)NCCC 94823a38af8f5e8e7e73928fc821ff79 [0,1,0,0,0,0|2,0,1]=4 131 B8R0.8 C=C(F)C(=O)NCCF cd4fc502548226d8c7f7b9775519092f [0,1,0,0,0,0|2,0,1]=4 132 B8R0.8 C=C(F)C(=O)NCCI a85d96b49fa8f9f5a0fff4a2859988c1 [0,1,0,0,0,0|2,0,1]=4 133 B8R0.8 C=C(F)C(=O)NCCO a433f83071990a76ceeb373774986262 [0,1,0,0,0,0|2,0,1]=4 134 B8R0.8 C=C(F)C(=O)NCCS b925e9e9a4b554836e4d4d833a2036a7 [0,1,0,0,0,0|2,0,1]=4 135 B8R0.8 C=CCOC(C)C(=O)C 67a80f394e84cf94a6ded2477a1d988b [0,1,0,0,0,0|1,0,2]=4 136 B8R0.8 CC(=O)C(=O)CNC#N c2f9469d8bb7dd5c97bad0ccaec512b6 [0,1,0,0,0,0|2,0,1]=4 137 B8R0.8 CC(=O)C(=O)NCC#N 5b9c2557b153269c0b155a42c182fa69 [0,1,0,0,0,0|1,0,1]=3 138 B8R0.8 CC(=O)C(=O)NCCBr b951238298d8a5693ac2dc119d2a6125 [0,1,0,0,0,0|1,0,0]=2 139 B8R0.8 CC(=O)C(=O)NCCF f10a316fe81eca6c402987edef00d0b4 [0,1,0,0,0,0|1,0,0]=2 140 B8R0.8 CC(=O)C(=O)NCCI 49a7fa58657568758ac0aac23ff45607 [0,1,0,0,0,0|1,0,0]=2 141 B8R0.8 CC(=O)C(=O)NCCO 68aa5fa37dd1955ac40b92420671c9c7 [0,1,0,0,0,0|1,0,0]=2 142 B8R0.8 CC(=O)C(=O)NCCS 0e86c38b29bd2555c9be005ee65dd41e [0,1,0,0,0,0|1,0,0]=2 143 B8R0.8 CC(=O)C(C)COCF c45f8ad47bb47acfc61ca43baa4a6417 [0,1,0,0,0,0|2,0,1]=4 144 B8R0.8 CC(=O)C(C)NCCBr 3210bd9423ad5a5155327281550f5f25 [0,1,0,0,0,0|2,0,1]=4 145 B8R0.8 CC(=O)C(C)NCCF ddfa9965dd9a8b7bc370014a7270bc24 [0,1,0,0,0,0|2,0,1]=4 146 B8R0.8 CC(=O)C(C)NCCI a2fabb97dc000dda6bc097c4a9247332 [0,1,0,0,0,0|2,0,1]=4 147 B8R0.8 CC(=O)C(C)NCCO 2aeb3f0703a454ddc9d76e39bdb7fb76 [0,1,0,0,0,0|2,0,1]=4 148 B8R0.8 CC(=O)C(C)NCCS ec2fcb162cf9fe04c53dc8de339e343c [0,1,0,0,0,0|2,0,1]=4 149 B8R0.8 CC(=O)C(C)OCC#N 6ceb6afe72983951abf67fa79d909e5b [0,1,0,0,0,0|1,0,2]=4 150 B8R0.8 CC(=O)C(C)OCC=O b74e7c61b80a0c717901ca8c420abcfa [0,1,0,0,0,0|1,0,2]=4 151 B8R0.8 CC(=O)C(C)OCCF 2400feff3997df18334864838c96453f [0,1,0,0,0,0|1,0,1]=3 152 B8R0.8 CC(=O)C(C)OCCS 8423f1e18d91a46ab22e3647b29e1625 [0,1,0,0,0,0|1,0,1]=3 153 B8R0.8 CC(=O)N(C)CCCO f1b608083519b3981f39547632d628d0 [0,1,0,0,0,0|3,0,0]=4 154 B8R0.8 CC(F)C(=O)NCCI 8a0369cfed1018ee828f00a2e04759cb [0,1,0,0,0,0|2,0,1]=4 155 B8R0.8 CC(F)C(=O)NCCO 5714b08de3ce4f90a90b82e533206732 [0,1,0,0,0,0|2,0,1]=4 156 B8R0.8 CC(F)C(=O)NCCS b39d80e8f07ef9221c0aa27f4f78917f [0,1,0,0,0,0|2,0,1]=4 157 B8R0.8 CC(O)C(=O)NCCF 91832489eb3405f9b8e768fbbfba918a [0,1,0,0,0,0|1,0,2]=4 158 B8R0.8 CC(O)C(=O)NCCI 5facf5561b562fe9df389faa15b577b9 [0,1,0,0,0,0|1,0,2]=4 159 B8R0.8 CC(O)C(=O)NCCO 6eae43744294511500b3285e9523f49e [0,1,0,0,0,0|1,0,2]=4 160 B8R0.8 CC(O)C(=O)NCCS e3260ab4fe247ca165e429cfa29782cf [0,1,0,0,0,0|1,0,2]=4 161 B8R0.8 CC(OCCF)C(=O)N 05325469e5b636b3a46e12613a8ebafe [0,1,0,0,0,0|2,0,1]=4 162 B8R0.8 CC(OCCF)C(=O)O 6fd5e9a19867c7867b238e7d51a1feb1 [0,1,0,0,0,0|2,0,1]=4 163 B8R0.8 CC(OCCS)C(=O)N becba3e4bd5ddd0256495d0b8cb5436f [0,1,0,0,0,0|2,0,1]=4 164 B8R0.8 CC(OCCS)C(=O)O c6314cdd016da9ce267602a4c2560a24 [0,1,0,0,0,0|2,0,1]=4 165 B8R0.8 CC(S)C(=O)NCCBr 126071a5e51b1b4d749efb8373eb23f1 [0,1,0,0,0,0|1,1,1]=4 166 B8R0.8 CC(S)C(=O)NCCF bd1e9d5683d56052e1e5cebd3f28f61a [0,1,0,0,0,0|1,1,1]=4 167 B8R0.8 CC(S)C(=O)NCCI d038059eeddb4ba2e800fd8c5ef18be5 [0,1,0,0,0,0|1,1,1]=4 168 B8R0.8 CC(S)C(=O)NCCO 3004d33b884c289d9839660aa24797db [0,1,0,0,0,0|1,1,1]=4 169 B8R0.8 CC(S)C(=O)NCCS 94de661ebd08e98861fe24c1031e17a2 [0,1,0,0,0,0|1,1,1]=4 170 B8R0.8 CCCCN(C)C(=O)C 88d1b3a05bc92700007f7660d5b84e56 [0,1,0,0,0,0|3,0,0]=4 171 B8R0.8 CCCNC(=O)C(=O)C 6616f52ba2db0bc51edea61ef0a86e36 [0,1,0,0,0,0|1,0,0]=2 172 B8R0.8 CCCNC(=O)C(=O)N 13b9d7246a4f43d25f7b6094605e09c1 [0,1,0,0,0,0|2,0,0]=3 173 B8R0.8 CCCNC(=O)C(C)F 26c3e292e8bf81a2774c215b87fe205c [0,1,0,0,0,0|2,0,1]=4 174 B8R0.8 CCCNC(=O)C(C)O 1c4275cc840c120b08a43a51d620d9a2 [0,1,0,0,0,0|1,0,2]=4 175 B8R0.8 CCCNC(=O)C(C)S 14ef60dcd7bf53e38f1b48b3ac0916eb [0,1,0,0,0,0|1,1,1]=4 176 B8R0.8 CCCNC(=O)[C@@H](C)F 56745f27d02daa9bdc007207f8e02ad7 [0,1,0,0,0,0|2,0,1]=4 177 B8R0.8 CCCNC(=O)[C@@H](C)O dd45fdcbcb7fa52143ea0a380ce96207 [0,1,0,0,0,0|1,0,2]=4 178 B8R0.8 CCCNC(=O)[C@H](C)F a5efcba7d8423bf0c2ba50ff959f1165 [0,1,0,0,0,0|2,0,1]=4 179 B8R0.8 CCCNC(=O)[C@H](C)O b394796d74a22374522cf1e72768ff60 [0,1,0,0,0,0|1,0,2]=4 180 B8R0.8 CCCNC(C)C(=O)C 6c20f55484fcd603f7867a7e61cb3d7e [0,1,0,0,0,0|2,0,1]=4 181 B8R0.8 CCCOC(C)C(=O)C f2ac291285b506c3aa995ed18a49b95f [0,1,0,0,0,0|1,0,1]=3 182 B8R0.8 CCCOC(C)C(=O)N 960017c2975c35a65e9a919d09986bae [0,1,0,0,0,0|2,0,1]=4 183 B8R0.8 CCCOC(C)C(=O)O 1322f7b5e7c49e969524d97c6c86e731 [0,1,0,0,0,0|2,0,1]=4 184 B8R0.8 CCCOC(F)C(=O)N e307f7bcd27dd26468887c129da73e20 [0,1,0,0,0,0|2,0,1]=4 185 B8R0.8 CCCO[C@@H](C)C(=O)N b8c1d5a3f29f788c88f92112d4a6c2ab [0,1,0,0,0,0|2,0,1]=4 186 B8R0.8 CCCO[C@@H](C)C(=O)O 6d34f6dc5dea70a72e909784584aa3d0 [0,1,0,0,0,0|2,0,1]=4 187 B8R0.8 CCCO[C@H](C)C(=O)N ca342d08f32f80afdbcc627d7b3ff5e4 [0,1,0,0,0,0|2,0,1]=4 188 B8R0.8 CCCO[C@H](C)C(=O)O c80966cb853c5464154df7c1b20e2fad [0,1,0,0,0,0|2,0,1]=4 189 B8R0.8 CCNCC(=O)N(C)C cbb9e14980a25920980b7a9bd2e1ff0d [0,1,0,0,0,0|3,0,0]=4 190 B8R0.8 CCOCC(=O)N(C)C d0c210c00ef540f269d37621e03eeac7 [0,1,0,0,0,0|2,0,0]=3 191 B8R0.8 CCOCC(C)C(=O)C 7ed02ca7a024702f528cad10b88a8859 [0,1,0,0,0,0|1,0,1]=3 192 B8R0.8 CCOCC(C)C(=O)O c058fb39790cebd08b409e3f0067a53c [0,1,0,0,0,0|2,0,1]=4 193 B8R0.8 CCOC[C@@H](C)C(=O)O caa5ba1722b2330e21dcd6c456bf8574 [0,1,0,0,0,0|2,0,1]=4 194 B8R0.8 CCOC[C@H](C)C(=O)O 3f7f39bbd0ce3dcf45d784eca89b738a [0,1,0,0,0,0|2,0,1]=4 195 B8R0.8 CN(C)C(=O)COCF 2eb473ab3b971690a1d108e40a5614a8 [0,1,0,0,0,0|3,0,0]=4 196 B8R0.8 COCCN(C)C(=O)C 1c56ee19503977f51009b726340315a1 [0,1,0,0,0,0|3,0,0]=4 197 B8R0.8 COCOC(C)C(=O)C 9af88437e924837e1175779254d8725f [0,1,0,0,0,0|1,0,1]=3 198 B8R0.8 COCOC(C)C(=O)N 6aefe489f48a65cd7d148c440618ab78 [0,1,0,0,0,0|2,0,1]=4 199 B8R0.8 COCOC(F)C(=O)N 98a6ca63ec0ae5ce3f5f79ce7b3d2ebf [0,1,0,0,0,0|2,0,1]=4 200 B8R0.8 COCO[C@@H](C)C(=O)N 49acefa7331c8c6665c0cba142f65a5a [0,1,0,0,0,0|2,0,1]=4 201 B8R0.8 COCO[C@H](C)C(=O)N 3b246b4b4317637d3b566960fa55f353 [0,1,0,0,0,0|2,0,1]=4 202 B8R0.8 CSCCN(C)C(=O)C f3dc0247d8f8741adf15cb67ead23b7f [0,1,0,0,0,0|3,0,0]=4 203 B8R0.8 CSCOC(C)C(=O)C c95aac72a50d87c47012f14e7a8068b2 [0,1,0,0,0,0|1,0,1]=3 204 B8R0.8 CSCOC(C)C(=O)N 635f1a0e17addb469496239feb26d434 [0,1,0,0,0,0|2,0,1]=4 205 B8R0.8 CSCOC(C)C(=O)O 57d7ce1dd854a328c5975793704ea7b1 [0,1,0,0,0,0|2,0,1]=4 206 B8R0.8 CSCO[C@@H](C)C(=O)N d697806df06282cb5644132872e9ee59 [0,1,0,0,0,0|2,0,1]=4 207 B8R0.8 CSCO[C@@H](C)C(=O)O 864b5a29ecb73704069778c9f0e179d1 [0,1,0,0,0,0|2,0,1]=4 208 B8R0.8 CSCO[C@H](C)C(=O)N 52e95303bdf45ec980659949a87a26d8 [0,1,0,0,0,0|2,0,1]=4 209 B8R0.8 CSCO[C@H](C)C(=O)O f7ab39fe068e7fa68aead9a01d1128af [0,1,0,0,0,0|2,0,1]=4 210 B8R0.8 C[C@@H](F)C(=O)NCCI 3800b05361fad7ddfa1629fce9d20fa0 [0,1,0,0,0,0|2,0,1]=4 211 B8R0.8 C[C@@H](F)C(=O)NCCO d7174fc5c801463ae00a56232eff941a [0,1,0,0,0,0|2,0,1]=4 212 B8R0.8 C[C@@H](F)C(=O)NCCS 749fd7706d0ec6e0daade6c7e1cd3708 [0,1,0,0,0,0|2,0,1]=4 213 B8R0.8 C[C@@H](O)C(=O)NCCF a16414928601b2d6fce8684097146547 [0,1,0,0,0,0|1,0,2]=4 214 B8R0.8 C[C@@H](O)C(=O)NCCI 12bd14996ece1fc55d11b04df696dca9 [0,1,0,0,0,0|1,0,2]=4 215 B8R0.8 C[C@@H](O)C(=O)NCCO 35de042b0d140c54bda91feb1cdb127d [0,1,0,0,0,0|1,0,2]=4 216 B8R0.8 C[C@@H](O)C(=O)NCCS 4ea55b84babe82864696fb723221b8ee [0,1,0,0,0,0|1,0,2]=4 217 B8R0.8 C[C@@H](OCCF)C(=O)N d40441105176013d30c8b95424c00d97 [0,1,0,0,0,0|2,0,1]=4 218 B8R0.8 C[C@@H](OCCF)C(=O)O c9253212131f04406411165ed9fada60 [0,1,0,0,0,0|2,0,1]=4 219 B8R0.8 C[C@@H](OCCS)C(=O)N 88943ada137c1f0b099f509dc8869f73 [0,1,0,0,0,0|2,0,1]=4 220 B8R0.8 C[C@@H](OCCS)C(=O)O ac3bfc55d41f7a030484bfd593511e60 [0,1,0,0,0,0|2,0,1]=4 221 B8R0.8 C[C@H](F)C(=O)NCCI 5f656c51ae2dfaf00b4ef9a34c71ecd6 [0,1,0,0,0,0|2,0,1]=4 222 B8R0.8 C[C@H](F)C(=O)NCCO 3757477e5dbeaeb7bd7368631f26cff2 [0,1,0,0,0,0|2,0,1]=4 223 B8R0.8 C[C@H](F)C(=O)NCCS 768c95e6a0f1ac131a654b3bd54857ca [0,1,0,0,0,0|2,0,1]=4 224 B8R0.8 C[C@H](O)C(=O)NCCF 9cb153874861efa121a2a3efd64f7b30 [0,1,0,0,0,0|1,0,2]=4 225 B8R0.8 C[C@H](O)C(=O)NCCI fb8bee75ecdef23926c8dd96e5a8446c [0,1,0,0,0,0|1,0,2]=4 226 B8R0.8 C[C@H](O)C(=O)NCCO a8a620bab8ff63cc8d6c82762d26d446 [0,1,0,0,0,0|1,0,2]=4 227 B8R0.8 C[C@H](O)C(=O)NCCS 473cfe5bd499406c2c4ec28ce5acf099 [0,1,0,0,0,0|1,0,2]=4 228 B8R0.8 C[C@H](OCCF)C(=O)N 4e9bb5644f38dd86d9dd9823a1b49742 [0,1,0,0,0,0|2,0,1]=4 229 B8R0.8 C[C@H](OCCF)C(=O)O 743b16156cee7adc3f15423098970a5c [0,1,0,0,0,0|2,0,1]=4 230 B8R0.8 C[C@H](OCCS)C(=O)N b69b46e96c27664eee2ef8d1ebb4d82d [0,1,0,0,0,0|2,0,1]=4 231 B8R0.8 C[C@H](OCCS)C(=O)O b485ed5c5773edd40292f7e36c453e29 [0,1,0,0,0,0|2,0,1]=4 232 B8R0.8 N#CCNC(=O)C(=O)N 655fd6a9eb4d9a32be98cadec176487f [0,1,0,0,0,0|2,0,1]=4 233 B8R0.8 NC(=O)C(=O)NCCBr 759555cfe18ab185527b6dd88250fe2a [0,1,0,0,0,0|2,0,0]=3 234 B8R0.8 NC(=O)C(=O)NCCF 8d16443f3a53d655d6edb5a8c0f19f14 [0,1,0,0,0,0|2,0,0]=3 235 B8R0.8 NC(=O)C(=O)NCCI 0aa2ec4d4ec4da702777f87d741676b9 [0,1,0,0,0,0|2,0,0]=3 236 B8R0.8 NC(=O)C(=O)NCCO 10353f6c195c1dd5d3db75345c6400fc [0,1,0,0,0,0|2,0,0]=3 237 B8R0.8 NC(=O)C(=O)NCCS 1e7a32aeffd987cdf7d4d7b438dcfd82 [0,1,0,0,0,0|2,0,0]=3 238 B8R0.8 NC(=O)C(F)OCCS 5172c9b0bf8c5357fae11cb57618deab [0,1,0,0,0,0|2,0,1]=4 239 B8R0.12 CCNC(C)(C)C(=O)C cc6332268668580c950a0bb19a912075 [0,1,0,0,0,0|2,0,1]=4 240 B8R0.15 C#CC(OCC)C(=O)O ad5f5db2dc84c44b6973fc430054569b [0,1,0,0,0,0|2,0,1]=4 241 B8R0.15 C/C=C(\OCC)/C(=O)O ed3460e0bbe0f0b117145ec3b6c6a2c3 [0,1,0,0,0,0|2,0,0]=3 242 B8R0.15 C/C=C(\OCF)/C(=O)O af209843a60ee7b531c468eec34edb23 [0,1,0,0,0,0|3,0,0]=4 243 B8R0.15 CCCN(CC)C(=O)C aaa318fb9f18848accdb9fbfd1cf28a8 [0,1,0,0,0,0|3,0,0]=4 244 B8R0.15 CCOC(CC)C(=O)N cc881244ff63cfdfd012c91254de1749 [0,1,0,0,0,0|2,0,1]=4 245 B8R0.15 CCOC(CC)C(=O)O 382aa920ebdd6f2bbe768902640ad9e2 [0,1,0,0,0,0|2,0,1]=4 246 B8R0.15 CCO[C@@H](CC)C(=O)O 94f5195873e16b29cb1b8369b5daad14 [0,1,0,0,0,0|2,0,1]=4 247 B8R0.15 CCO[C@H](CC)C(=O)O b8c9ca25086a8c61d2a1f7aecbcec13d [0,1,0,0,0,0|2,0,1]=4 248 B8R0.15 CCO[C@H](CF)C(=O)O afbab515ead87d58e6c9f68e24ff80d8 [0,1,0,0,0,0|2,0,1]=4 249 B8R0.23 CC(=O)C(C)OC(C)C 2d86abe06727762a40b9ab2fefeb12d2 [0,1,0,0,0,0|1,0,1]=3 250 B8R0.23 CC(=O)N(C)CC(C)C 89cec52088ed29050ddede06aaad4a16 [0,1,0,0,0,0|3,0,0]=4 251 B8R0.23 CC(=O)N(C)CC(C)O 4e9ef38fdc27d4895833669b87ebf855 [0,1,0,0,0,0|3,0,0]=4 252 B8R0.23 CC(=O)N(C)C[C@H](C)O 021150eee8136a4b9cf5a9a8729a45c5 [0,1,0,0,0,0|3,0,0]=4 253 B8R0.23 CC(C)OC(C)C(=O)N 3cee39f49921ab19917bac674ad05970 [0,1,0,0,0,0|2,0,1]=4 254 B8R0.23 CC(C)OC(C)C(=O)O 0a58b34c739ceb5a5963c9b3548f472a [0,1,0,0,0,0|2,0,1]=4 255 B8R0.23 CC(C)OC(F)C(=O)N 4e500a655b0251a68623c9a9bac567cd [0,1,0,0,0,0|2,0,1]=4 256 B8R0.23 CC(C)O[C@@H](C)C(=O)N 57a65b88062516ea8512ca985e4b20b1 [0,1,0,0,0,0|2,0,1]=4 257 B8R0.23 CC(C)O[C@@H](C)C(=O)O 3e6aa85ab276fb2f3b41c452e067b375 [0,1,0,0,0,0|2,0,1]=4 258 B8R0.23 CC(C)O[C@H](C)C(=O)N 15e236e43a73c1d83142b60899c44aff [0,1,0,0,0,0|2,0,1]=4 259 B8R0.23 CC(C)O[C@H](C)C(=O)O 3c1a1d8dc45ffece35d6cbe571959a73 [0,1,0,0,0,0|2,0,1]=4 260 B8R1.13 CCOC1CCC1=O 3dbc6f04881f51171a4de09e2024a401 [0,0,0,1,0,0|1,0,1]=3 261 B8R1.13 O=C1CCC1OCF acbe5648e5fa1bf2d12fcf8dac78f593 [0,0,0,1,0,0|2,0,1]=4 262 B8R1.54 CC(=O)N(C)C1CC1 61fc6600543372561e48e4dacdc6032f [0,0,0,1,0,0|3,0,0]=4 263 B8R0.5 CC(=O)CC(=O)NC#N c27733a059944f66e47a0e3b19657040 [0,0,0,0,0,1|2,0,1]=4 264 B8R0.5 CCCC(C)NC(=O)C 1ed0caa6bab6b1d79a8ed0b0c0e539ad [0,0,0,0,0,1|2,0,1]=4 265 B8R0.5 CCC[C@H](C)NC(=O)C 95c9eaebbb0a0de223f5b617f08585d8 [0,0,0,0,0,1|2,0,1]=4 266 B8R0.5 CCOC(C)CC(=O)N a247fc098cd9bc50b0c7b9371cf4fcb5 [0,0,0,0,0,1|2,0,1]=4 267 B8R0.5 CCOC(C)CC(=O)O 20f52735b4f115013d658aa30fd851a1 [0,0,0,0,0,1|2,0,1]=4 268 B8R0.5 CCO[C@@H](C)CC(=O)O 2297bbd28bfec2b7a3315f1a1eca242e [0,0,0,0,0,1|2,0,1]=4 269 B8R0.5 CCO[C@H](C)CC(=O)O ccc8e46cafa360247330bb81a3001d13 [0,0,0,0,0,1|2,0,1]=4 270 B5R0.1 CCOC(C)C e40579e838af0384b34ea3d488054b89 [2,0,0,0,0,0|1,0,1]=4 271 B5R0.2 CCCNC=O 394eea314e4a7e284e23571b2081e74b [2,0,0,0,0,0|2,0,0]=4 272 B5R0.2 CCCOCC a0c48a14a19cfc2180230756acaf40ab [2,0,0,0,0,0|0,0,2]=4 273 B5R0.2 CCOCOC 6cd815448945789916c4199ac0685ffd [2,0,0,0,0,0|1,0,1]=4 274 B5R0.3 CCN(C)C=O 60ddb02da2ac3e0bbf46f02c328ae40d [2,0,0,0,0,0|2,0,0]=4 275 B7R0.2 C=C(C=O)OC(C)C 1024bdfd369573a0f4c5c31da01d34c1 [1,1,0,0,0,0|1,0,0]=3 276 B7R0.2 CC(C)OC(C)C=O 46dcc605c08f0d0f96a7a481f23b4bf0 [1,1,0,0,0,0|1,0,1]=4 277 B7R0.2 CC(C)O[C@H](C)C=O 3f46dec97b43d031419f8bec573ffcd6 [1,1,0,0,0,0|1,0,1]=4 278 B7R0.3 C#CCNC(=O)C=O 85689a441d6bd23a63137631fc88af8e [1,1,0,0,0,0|1,0,1]=4 279 B7R0.3 C#CCOC(=C)C=O ced1e021bc6a744880f2ef348f605d5b [1,1,0,0,0,0|1,0,1]=4 280 B7R0.3 C=C(C=O)OCC#N bcebcba3ad02786b6cd38de5985d1826 [1,1,0,0,0,0|1,0,1]=4 281 B7R0.3 C=C(C=O)OCC=O d72a2d0abab614f8d0895b26ef9c5aa1 [1,1,0,0,0,0|1,0,1]=4 282 B7R0.3 C=C(C=O)OCCC 04efcca188a8b47a61c5130fe82b341f [1,1,0,0,0,0|1,0,0]=3 283 B7R0.3 C=C(C=O)OCCF f36f281a47e9b29afb82a09d8a3f6a4b [1,1,0,0,0,0|1,0,0]=3 284 B7R0.3 C=C(C=O)OCCS 77fec4c96c514d23c04a525ff34b91e2 [1,1,0,0,0,0|1,0,0]=3 285 B7R0.3 C=C(C=O)OCOC fd2d010df8589efa2d493b57390022d2 [1,1,0,0,0,0|1,0,0]=3 286 B7R0.3 C=C(C=O)OCSC c329dc66e0c8ef5c815429253c081723 [1,1,0,0,0,0|1,0,0]=3 287 B7R0.3 C=CC(=O)NCCBr e6f6b86f13e8187fabc94be948b883a9 [1,1,0,0,0,0|1,0,1]=4 288 B7R0.3 C=CC(=O)NCCC cbaf2af1e216a93f8d9916d9e14e472f [1,1,0,0,0,0|1,0,1]=4 289 B7R0.3 C=CC(=O)NCCF 603b2638e9cfb8f5ec21de15aad5486a [1,1,0,0,0,0|1,0,1]=4 290 B7R0.3 C=CC(=O)NCCI 3eb791874c2ca04ded681849c87dc345 [1,1,0,0,0,0|1,0,1]=4 291 B7R0.3 C=CC(=O)NCCO 6cddef02f32566caa65152d55a827db1 [1,1,0,0,0,0|1,0,1]=4 292 B7R0.3 C=CC(=O)NCCS 9889ebe2d1bfba26b1d473fa334f8376 [1,1,0,0,0,0|1,0,1]=4 293 B7R0.3 C=CCOC(=C)C=O e6886899fd17c4b0e35e10fadb840144 [1,1,0,0,0,0|1,0,1]=4 294 B7R0.3 CC(C=O)OCCF 9676f45a56098fb26857cb4b8fa0bcb0 [1,1,0,0,0,0|1,0,1]=4 295 B7R0.3 CC(C=O)OCCS 707059ad8fea5768d8b6a96e20ccb88c [1,1,0,0,0,0|1,0,1]=4 296 B7R0.3 CCC(=O)COCF 0dfc429bc09e415d47df418ebade007a [1,1,0,0,0,0|1,0,1]=4 297 B7R0.3 CCC(=O)NCCBr 622c7e0d01006938ab3182a350e1ebd0 [1,1,0,0,0,0|1,0,1]=4 298 B7R0.3 CCC(=O)NCCF 64c5d06137bf344ab2d9ef1c9d4f8989 [1,1,0,0,0,0|1,0,1]=4 299 B7R0.3 CCC(=O)NCCI a607114f95a86326e4b8a49fc0dc2b27 [1,1,0,0,0,0|1,0,1]=4 300 B7R0.3 CCC(=O)NCCO 7cd694fbe0a0792079b1131d041f8e7c [1,1,0,0,0,0|1,0,1]=4 301 B7R0.3 CCC(=O)NCCS 2d1553f99b093c5be0d2a8ed841e36c7 [1,1,0,0,0,0|1,0,1]=4 302 B7R0.3 CCCNC(=O)C=O d7ca29ecc0d8770667a3b66f38c8ad0e [1,1,0,0,0,0|1,0,0]=3 303 B7R0.3 CCCNC(=O)CC d52888c93ed9aa6cfb5138e6aae16063 [1,1,0,0,0,0|1,0,1]=4 304 B7R0.3 CCCOC(C)C=O 64f7abc1e62101b123e23f4c74164a7e [1,1,0,0,0,0|1,0,1]=4 305 B7R0.3 CCCO[C@H](C)C=O 08508c09bba0136bf81083f7b07956d8 [1,1,0,0,0,0|1,0,1]=4 306 B7R0.3 CCNCC(=O)NC 6e0bba6a22fc3bc37e6c3e6f60c6e36a [1,1,0,0,0,0|2,0,0]=4 307 B7R0.3 CCNCC(=O)OC b1dca081e4a690ea6b077cbe8021ba9d [1,1,0,0,0,0|2,0,0]=4 308 B7R0.3 CCOC/C(=C/I)/C 92df24ec990a3895db2ac49e1b5a7038 [1,1,0,0,0,0|2,0,0]=4 309 B7R0.3 CCOCC(=CI)C fb53346fffa55ab558f152fe4ff2ec43 [1,1,0,0,0,0|2,0,0]=4 310 B7R0.3 CCOCC(=O)CC 13cc2d887732afb318f359551753b6fc [1,1,0,0,0,0|0,0,1]=3 311 B7R0.3 CCOCC(=O)NC c799fcda6efa9f3f97fe8695cdef5794 [1,1,0,0,0,0|1,0,0]=3 312 B7R0.3 CCOCC(=O)OC b7ea85ad64af7662897e0490968d63a7 [1,1,0,0,0,0|1,0,0]=3 313 B7R0.3 CNC(=O)COCF ee658a087bac7b7433b26d422d1c0261 [1,1,0,0,0,0|2,0,0]=4 314 B7R0.3 COC(=O)COCF fd3305c5ca341d194c1950aa91cbc248 [1,1,0,0,0,0|2,0,0]=4 315 B7R0.3 COCOC(C)C=O 3707afff98f056c5534ccbc658911b1f [1,1,0,0,0,0|1,0,1]=4 316 B7R0.3 COCO[C@H](C)C=O 34de2462dae77151365395b9e28ef026 [1,1,0,0,0,0|1,0,1]=4 317 B7R0.3 CSCOC(C)C=O f3e4026b3b027885c21fad548f08eb1c [1,1,0,0,0,0|1,0,1]=4 318 B7R0.3 C[C@H](C=O)OCCF a0a5cbe08a1078c6900a6f0acbda2a8d [1,1,0,0,0,0|1,0,1]=4 319 B7R0.3 C[C@H](C=O)OCCS 15879fc18488d12b970460b0830cdd69 [1,1,0,0,0,0|1,0,1]=4 320 B7R0.3 N#CCNC(=O)C=O c6fce877e18e188e69982d83ed1aa681 [1,1,0,0,0,0|1,0,1]=4 321 B7R0.3 O=CC(=O)NCCBr 2e764955e5b027229dc47aa131dbf662 [1,1,0,0,0,0|1,0,0]=3 322 B7R0.3 O=CC(=O)NCCF fc9621fe97219629ab963b2546f4b25a [1,1,0,0,0,0|1,0,0]=3 323 B7R0.3 O=CC(=O)NCCI e0a4f5a8499d8d769053243c1c1c0e74 [1,1,0,0,0,0|1,0,0]=3 324 B7R0.3 O=CC(=O)NCCO 0f54c9d799f4c0c4875a4c5afe26d691 [1,1,0,0,0,0|1,0,0]=3 325 B7R0.3 O=CC(=O)NCCS 8f21f47feaeb7f9710321d6778c69f89 [1,1,0,0,0,0|1,0,0]=3 326 B7R0.7 C/C=C/C(C)OCC 2ab4f7797f6c67b991e2e31923687bf2 [1,1,0,0,0,0|1,0,1]=4 327 B7R0.7 CC=CC(C)OCC 5361522f2e573115d5b96113c76c93d1 [1,1,0,0,0,0|1,0,1]=4 328 B7R0.7 CCCC(=S)OCC 1c7e19bdea536ef2f89edad836560238 [1,1,0,0,0,0|0,1,1]=4 329 B7R0.10 C=CC(=O)N(C)CC 5cdce1a1cd893d8ab1284f8177670f55 [1,1,0,0,0,0|1,0,1]=4 330 B7R0.10 CCC(=O)N(C)CC 307c98a15c6ddf11013971017d018a3f [1,1,0,0,0,0|1,0,1]=4 331 B7R0.10 CCN(C)C(=O)C=O db5732fec82020b1e06387d47e0f63dc [1,1,0,0,0,0|1,0,0]=3 332 B7R0.16 CC(=O)N(C)C(C)C 68e786e7c5c4f60e8b7c36108316ab9e [1,1,0,0,0,0|2,0,0]=4 333 B7R0.4 C#CCOCC(=O)C a3c93320b56e3e358d63fbc9e6735009 [1,1,0,0,0,0|0,0,2]=4 334 B7R0.4 C/C(=C/COCF)/Cl ccb17a4eecc3091faafab504472f0bc7 [1,1,0,0,0,0|2,0,0]=4 335 B7R0.4 C/C(=C/COCF)/I 3c1d6b60b36a518dc432453d68bfeeb4 [1,1,0,0,0,0|2,0,0]=4 336 B7R0.4 C=C(C)CCOCC be6e22e1c69b2a68ed5204ad177f8dbf [1,1,0,0,0,0|1,0,1]=4 337 B7R0.4 C=C(C)COCCC 76f9760152185d12d96d255aaf2df59a [1,1,0,0,0,0|1,0,1]=4 338 B7R0.4 C=C(C)COCCF 2393b781abe28f80c22ecc5054861ab3 [1,1,0,0,0,0|1,0,1]=4 339 B7R0.4 C=C(C)COCCS 49de4109ab241775eb4f5124e18dde45 [1,1,0,0,0,0|1,0,1]=4 340 B7R0.4 C=C(C)COCOC 43819766e7dcc16b61a9eda64a28704b [1,1,0,0,0,0|1,0,1]=4 341 B7R0.4 C=C(C)COCSC 57a3672b412662e92be8fefea10a5b74 [1,1,0,0,0,0|1,0,1]=4 342 B7R0.4 C=CCOCC(=O)C 6cc60c3b69d2e2990673da8a49479ff3 [1,1,0,0,0,0|0,0,2]=4 343 B7R0.4 CC(=CCOCF)C c25b592aef4d9f50b5494c475de951b8 [1,1,0,0,0,0|2,0,0]=4 344 B7R0.4 CC(=CCOCF)I ba2122f4ea4634e790cdf077ca544e33 [1,1,0,0,0,0|2,0,0]=4 345 B7R0.4 CC(=O)CCOCF 82d7d90cce95d3fcb1e3ec26261601b7 [1,1,0,0,0,0|1,0,1]=4 346 B7R0.4 CC(=O)CNCCF 037d57d4c47ace4be0a5087eec27dc1a [1,1,0,0,0,0|1,0,1]=4 347 B7R0.4 CC(=O)CNCCO 86398d1823d67bf69cb8819c5f41ae7a [1,1,0,0,0,0|1,0,1]=4 348 B7R0.4 CC(=O)CNCCS 7ce62300907f9ccd0384e405866d6aaa [1,1,0,0,0,0|1,0,1]=4 349 B7R0.4 CC(=O)COCC#N f6d942d7fed48c56b84b1cfe40ac78c5 [1,1,0,0,0,0|0,0,2]=4 350 B7R0.4 CC(=O)COCC=O 465b1cf75d509df2704309fff91522d1 [1,1,0,0,0,0|0,0,2]=4 351 B7R0.4 CC(=O)COCCF 44a64beb94b3f52bac0afdbbbb0c27fe [1,1,0,0,0,0|0,0,1]=3 352 B7R0.4 CC(=O)COCCS aaf6880c5768e2a52385922f009f4e73 [1,1,0,0,0,0|0,0,1]=3 353 B7R0.4 CC(=O)NCCCCl a50262f9e3620db3f540afde4066de77 [1,1,0,0,0,0|2,0,0]=4 354 B7R0.4 CC(=O)NCCCO cd01194a1a55a891decb932ba2d96e97 [1,1,0,0,0,0|2,0,0]=4 355 B7R0.4 CC(=O)NCOCF bbf9571051543191a8870eae955bf479 [1,1,0,0,0,0|1,0,1]=4 356 B7R0.4 CCCCNC(=O)C 0949c76abd7904d01e0aead7cd919e16 [1,1,0,0,0,0|1,0,1]=4 357 B7R0.4 CCCNCC(=O)C 99413200ab301de7320a2958deb213a6 [1,1,0,0,0,0|1,0,1]=4 358 B7R0.4 CCCOCC(=O)C 96075066d7d27bc87eaacf968c44bcad [1,1,0,0,0,0|0,0,1]=3 359 B7R0.4 CCCOCC(=O)N 96a8c77dd39980465075569d7697e39d [1,1,0,0,0,0|1,0,1]=4 360 B7R0.4 CCCOCC(=O)O 23aff310a77cf1d0723d729060ccc5ab [1,1,0,0,0,0|1,0,1]=4 361 B7R0.4 CCNCC=C(C)C babbecd9a4b03d10475bf665994a7cc4 [1,1,0,0,0,0|2,0,0]=4 362 B7R0.4 CCOC/C=C(/C)\Cl a79883948efe387ccbf8035e4bbbf803 [1,1,0,0,0,0|1,0,0]=3 363 B7R0.4 CCOC/C=C(/C)\I 31046cb5ab0b5fce8af568a1edb154c5 [1,1,0,0,0,0|1,0,0]=3 364 B7R0.4 CCOCC=C(C)C 24a34a23a06cf18457415c98f967840a [1,1,0,0,0,0|1,0,0]=3 365 B7R0.4 CCOCC=C(C)I 79d9eb8c50caa3a3f2106cdc9cdd7c84 [1,1,0,0,0,0|1,0,0]=3 366 B7R0.4 CCOCC=C(Cl)Cl aa420eee9e85e57fd046661e3d34ce27 [1,1,0,0,0,0|2,0,0]=4 367 B7R0.4 CCOCCC(=O)C cbf951a39aabdc9cae79b2b81520e5d8 [1,1,0,0,0,0|0,0,1]=3 368 B7R0.4 CCOCCC(=O)N 6008011299c8bcf06da6d1d485db82cf [1,1,0,0,0,0|1,0,1]=4 369 B7R0.4 CCOCCC(=O)O b43dd4fe6d8527741fde301ee2762516 [1,1,0,0,0,0|1,0,1]=4 370 B7R0.4 CCOCCS(=O)C 8e6e406da58bf76b276c249a0b39af9d [1,1,0,0,0,0|1,0,1]=4 371 B7R0.4 CCOCNC(=O)C b051a792d6529617bfbfb0a9edc5ad16 [1,1,0,0,0,0|0,0,1]=3 372 B7R0.4 CCOCNC(=O)N 7f110a3bce734439d6da5de9a8afdb1c [1,1,0,0,0,0|1,0,1]=4 373 B7R0.4 COCCNC(=O)C e9eb3353d96003a03a149314e2f5662c [1,1,0,0,0,0|2,0,0]=4 374 B7R0.4 COCNCC(=O)C 1d22e2faae89557d184e6b77c70e18b9 [1,1,0,0,0,0|1,0,1]=4 375 B7R0.4 COCOCC(=O)C 6ffd083eff8647662229227253b2a8dc [1,1,0,0,0,0|0,0,1]=3 376 B7R0.4 COCOCC(=O)N a86a9c95c6a98739f4d98d0cd39ad842 [1,1,0,0,0,0|1,0,1]=4 377 B7R0.4 COCOCC(=O)O a468e60279d972337d82cd5f7b4a85c0 [1,1,0,0,0,0|1,0,1]=4 378 B7R0.4 CSCCNC(=O)C d94327ff4326745067a7a93e58177af9 [1,1,0,0,0,0|2,0,0]=4 379 B7R0.4 CSCNCC(=O)C 45bb082b9a0036036408483af8cc43e5 [1,1,0,0,0,0|1,0,1]=4 380 B7R0.4 CSCOCC(=O)C a99e30955cce4bbe9c0c1e4d13a22534 [1,1,0,0,0,0|0,0,1]=3 381 B7R0.4 CSCOCC(=O)N 26834a3c15e8ab4b1f28f8e0ba47eea5 [1,1,0,0,0,0|1,0,1]=4 382 B7R0.4 CSCOCC(=O)O bc53fc5d2082b4879e00ca1b9daacd0d [1,1,0,0,0,0|1,0,1]=4 383 B7R0.4 NC(=O)COCCF d469c79637b991c6fca3d07cba643bba [1,1,0,0,0,0|1,0,1]=4 384 B7R0.4 NC(=O)COCCS cb3082506d52145df233a7d6870ad15a [1,1,0,0,0,0|1,0,1]=4 385 B7R0.4 O=C(O)COCCF 0bf6b93a21a854bfb19752b49752a6aa [1,1,0,0,0,0|1,0,1]=4 386 B7R0.4 O=C(O)COCCS d255bc31bb2be8a37fe42b47fabd36dd [1,1,0,0,0,0|1,0,1]=4 387 B7R0.6 C=C(C)COC(C)C 1163708fe8e5f25f773925b58859ae9a [1,1,0,0,0,0|1,0,1]=4 388 B7R0.6 CC(=O)CNC(C)C afe0e5afa4a4991702b8d7ba141d2521 [1,1,0,0,0,0|1,0,1]=4 389 B7R0.6 CC(=O)COC(C)C 8e58824c7076e094538494c263248304 [1,1,0,0,0,0|0,0,1]=3 390 B7R0.6 CC(=O)NCC(C)C 133e349c691ad200ad773179becc5ae8 [1,1,0,0,0,0|2,0,0]=4 391 B7R0.6 CC(=O)NCC(C)O 0ffb7326836e65b1a201fca72ad947e5 [1,1,0,0,0,0|2,0,0]=4 392 B7R0.6 CC(=O)NC[C@@H](C)O f988b940337d1dc00ccd246da11ece9f [1,1,0,0,0,0|2,0,0]=4 393 B7R0.6 CC(=O)NC[C@H](C)O 1a6130441852f98535cb020ca3c20f02 [1,1,0,0,0,0|2,0,0]=4 394 B7R0.6 CC(C)OCC(=O)N 2925a3543d892638d60eb7349262c8f3 [1,1,0,0,0,0|1,0,1]=4 395 B7R0.6 CC(C)OCC(=O)O 4f99bad05a342ea59eb9c6b2912ac68e [1,1,0,0,0,0|1,0,1]=4 396 B9R0.4 C#CCNC(=O)CC(=O)C 4dad570d8df7efb8692b0ee46d6461af [0,1,0,0,0,1|1,0,1]=4 397 B9R0.4 C/C(=C/C(=O)NCCBr)/Cl 7adf50b997079aec97dcf82105f1cf56 [0,1,0,0,0,1|2,0,0]=4 398 B9R0.4 C/C(=C/C(=O)NCCBr)/I 9b259a01c692aa2dcf7d608148d5ce2a [0,1,0,0,0,1|2,0,0]=4 399 B9R0.4 C/C(=C/C(=O)NCCF)/Cl df93996d53703a3375866972140a9eef [0,1,0,0,0,1|2,0,0]=4 400 B9R0.4 C/C(=C/C(=O)NCCF)/I 10b1335b685d1b1d418bf402c66ce386 [0,1,0,0,0,1|2,0,0]=4 401 B9R0.4 C/C(=C/C(=O)NCCI)/Cl 4c058172c62c77ad7a9021a6c716d0e0 [0,1,0,0,0,1|2,0,0]=4 402 B9R0.4 C/C(=C/C(=O)NCCI)/I bbb617a1f1d1932b72e7b1d75a03a2a5 [0,1,0,0,0,1|2,0,0]=4 403 B9R0.4 C/C(=C/C(=O)NCCO)/Cl 40f5466b67b8f9fc01fc08f6f261e67f [0,1,0,0,0,1|2,0,0]=4 404 B9R0.4 C/C(=C/C(=O)NCCO)/I 2226dbd628d95d8d176acb3bc6ec5ef8 [0,1,0,0,0,1|2,0,0]=4 405 B9R0.4 C/C(=C/C(=O)NCCS)/Cl 2289048cb48db5d1a7e7ef9f6e6df48c [0,1,0,0,0,1|2,0,0]=4 406 B9R0.4 C/C(=C/C(=O)NCCS)/I 701a81372bdb6e550efb051f8311b45b [0,1,0,0,0,1|2,0,0]=4 407 B9R0.4 C/C(=C\C(=O)NCCBr)/Cl 0e2cd46d8ff428eb022aa2368e135092 [0,1,0,0,0,1|2,0,0]=4 408 B9R0.4 C/C(=C\C(=O)NCCF)/Cl 04d9a68baff00612b76915f8fbd6f70e [0,1,0,0,0,1|2,0,0]=4 409 B9R0.4 C/C(=C\C(=O)NCCI)/Cl ac2422c892b45875059dfb1c1664d68f [0,1,0,0,0,1|2,0,0]=4 410 B9R0.4 C/C(=C\C(=O)NCCO)/Cl 07f16562dd71d0d14ff571d7a6c295d2 [0,1,0,0,0,1|2,0,0]=4 411 B9R0.4 C/C(=C\C(=O)NCCS)/Cl e4eb40cc101cec86249cdb869c14cd73 [0,1,0,0,0,1|2,0,0]=4 412 B9R0.4 C=C(C)CC(=O)NCCBr cd87707a1fecc9c2ce96e9f83f192106 [0,1,0,0,0,1|2,0,0]=4 413 B9R0.4 C=C(C)CC(=O)NCCC 35128dd5ec45d53c690e0349cab94572 [0,1,0,0,0,1|2,0,0]=4 414 B9R0.4 C=C(C)CC(=O)NCCF 097962cf8ec640385fada089f12bcf12 [0,1,0,0,0,1|2,0,0]=4 415 B9R0.4 C=C(C)CC(=O)NCCI a051213144cf30a77dccea493d7dbc3d [0,1,0,0,0,1|2,0,0]=4 416 B9R0.4 C=C(C)CC(=O)NCCO 7fcc230f9cddf0ceaf50a4e6df241f21 [0,1,0,0,0,1|2,0,0]=4 417 B9R0.4 C=C(C)CC(=O)NCCS 966c3ac370c4935b40bf91e5c8bf29bf [0,1,0,0,0,1|2,0,0]=4 418 B9R0.4 CC(=CC(=O)NCCBr)C fe950ef17b5c1a56a0369a532c776513 [0,1,0,0,0,1|2,0,0]=4 419 B9R0.4 CC(=CC(=O)NCCBr)I 727b8dc0c3d83b44546ee126f368cb61 [0,1,0,0,0,1|2,0,0]=4 420 B9R0.4 CC(=CC(=O)NCCF)C 72555bd7874b256400975ccf36bff79a [0,1,0,0,0,1|2,0,0]=4 421 B9R0.4 CC(=CC(=O)NCCF)I 67a91281d09b82817b9d7904bba2ece9 [0,1,0,0,0,1|2,0,0]=4 422 B9R0.4 CC(=CC(=O)NCCI)C a05bab50cdf2b73bc83d6b673109bd9d [0,1,0,0,0,1|2,0,0]=4 423 B9R0.4 CC(=CC(=O)NCCI)I 68287a21403729950d14c4f45d211704 [0,1,0,0,0,1|2,0,0]=4 424 B9R0.4 CC(=CC(=O)NCCO)C 6d8931ddce12f00e066bf0dc6f23dce3 [0,1,0,0,0,1|2,0,0]=4 425 B9R0.4 CC(=CC(=O)NCCO)I e9b61b515fbc795e183654dd907e90bb [0,1,0,0,0,1|2,0,0]=4 426 B9R0.4 CC(=CC(=O)NCCS)C 87c3ecbe77a74ca18edcba4dbcdd8a13 [0,1,0,0,0,1|2,0,0]=4 427 B9R0.4 CC(=CC(=O)NCCS)I 97118e350934aed37511164d62db8bf3 [0,1,0,0,0,1|2,0,0]=4 428 B9R0.4 CC(=O)CC(=O)NCC#N 66dc71d58078baf4f33d6afde0c9faff [0,1,0,0,0,1|1,0,1]=4 429 B9R0.4 CC(=O)CC(=O)NCCBr 6cfcc4e1318dbe37125661f7d121b7c5 [0,1,0,0,0,1|1,0,0]=3 430 B9R0.4 CC(=O)CC(=O)NCCF 9d57e8295fd58c229e49944ba9df1829 [0,1,0,0,0,1|1,0,0]=3 431 B9R0.4 CC(=O)CC(=O)NCCI 8586c77e741526251280dea6183bfb8c [0,1,0,0,0,1|1,0,0]=3 432 B9R0.4 CC(=O)CC(=O)NCCO cd3748795135984f4058e33972915814 [0,1,0,0,0,1|1,0,0]=3 433 B9R0.4 CC(=O)CC(=O)NCCS e51e8d1f67904b60c7319d33eadebd70 [0,1,0,0,0,1|1,0,0]=3 434 B9R0.4 CC(=O)OC(C)OCCF da7affa6b14ff4a99be2b6049cc00c20 [0,1,0,0,0,1|1,0,1]=4 435 B9R0.4 CC(=O)OC(C)OCCS 4f606964d17daf8060dfd0795b3ba543 [0,1,0,0,0,1|1,0,1]=4 436 B9R0.4 CCCNC(=O)/C=C(/C)\Cl 3ad290e5fb927211a192ca6a5eb42268 [0,1,0,0,0,1|2,0,0]=4 437 B9R0.4 CCCNC(=O)/C=C(/C)\I a3f4180321854769f73290ff7d98412f [0,1,0,0,0,1|2,0,0]=4 438 B9R0.4 CCCNC(=O)/C=C(\C)/Cl ab8b7f34026c6bfb0dbfd351bdb35df8 [0,1,0,0,0,1|2,0,0]=4 439 B9R0.4 CCCNC(=O)C=C(C)C d425d129552ce3c7dca23fa16b981100 [0,1,0,0,0,1|2,0,0]=4 440 B9R0.4 CCCNC(=O)C=C(C)I ef4ccd837cfd6208ecd1f7a8f75ed342 [0,1,0,0,0,1|2,0,0]=4 441 B9R0.4 CCCNC(=O)CC(=O)C 3d765e0f91c6d37be151ce60eea0bf0d [0,1,0,0,0,1|1,0,0]=3 442 B9R0.4 CCCNC(=O)CC(=O)N 4059559630988efa01804c5ea211f439 [0,1,0,0,0,1|2,0,0]=4 443 B9R0.4 CCCOC(C)OC(=O)C 6c8b7c881ac77e2983b8764698a63829 [0,1,0,0,0,1|1,0,1]=4 444 B9R0.4 CCOCC(=O)NC(C)C 18e0b25d15c2ef546bbcf6627c9ea33b [0,1,0,0,0,1|1,0,1]=4 445 B9R0.4 CCOCC(=O)OC(C)C a46f2e33e4c4b2ce3b4ebe5c5f8af7d8 [0,1,0,0,0,1|1,0,1]=4 446 B9R0.4 CCOCC(C)NC(=O)C 891e676bd6e096c9e78b579a4d42a446 [0,1,0,0,0,1|1,0,1]=4 447 B9R0.4 CCOC[C@@H](C)NC(=O)C 82a9a914977322c59ad71ebab295e094 [0,1,0,0,0,1|1,0,1]=4 448 B9R0.4 COCOC(C)OC(=O)C c73ebf630a8c2a58943bc42724d4d8d9 [0,1,0,0,0,1|1,0,1]=4 449 B9R0.4 NC(=O)CC(=O)NCCBr 7f6a692718c96bbc2e997e53be050788 [0,1,0,0,0,1|2,0,0]=4 450 B9R0.4 NC(=O)CC(=O)NCCF e32351f5b5b2913f665dd3e5c06130fe [0,1,0,0,0,1|2,0,0]=4 451 B9R0.4 NC(=O)CC(=O)NCCI e8357b72a1d9fb6fafdf841fafe15823 [0,1,0,0,0,1|2,0,0]=4 452 B9R0.4 NC(=O)CC(=O)NCCO eaa613e540c54dc24d04bb3ec7ae73c3 [0,1,0,0,0,1|2,0,0]=4 453 B9R0.4 NC(=O)CC(=O)NCCS 34edee7b51e396f47cf30c76d0d67a24 [0,1,0,0,0,1|2,0,0]=4 454 B9R0.23 C=C(C)CC(=O)N(C)CC 75cd4cad67456f5055274a0ee5a07eae [0,1,0,0,0,1|2,0,0]=4 455 B9R0.23 CCN(C)C(=O)/C=C(/C)\Cl 2f18d616ca4046f66a82aff4271270ac [0,1,0,0,0,1|2,0,0]=4 456 B9R0.23 CCN(C)C(=O)/C=C(/C)\I 8ee47fa568203a6e36a2618524f3d6bf [0,1,0,0,0,1|2,0,0]=4 457 B9R0.23 CCN(C)C(=O)/C=C(\C)/Cl 6d00238ea5e59f702748cbb07cd119e1 [0,1,0,0,0,1|2,0,0]=4 458 B9R0.23 CCN(C)C(=O)C=C(C)C 00f7d13cf88b2f23cb9fc2271f78f4ea [0,1,0,0,0,1|2,0,0]=4 459 B9R0.23 CCN(C)C(=O)C=C(C)I 05ebca29362f47f1ca376f5662ae279d [0,1,0,0,0,1|2,0,0]=4 460 B9R0.23 CCN(C)C(=O)CC(=O)C 1217fc72a4748fed1e5a83a097d2f82e [0,1,0,0,0,1|1,0,0]=3 461 B9R0.23 CCN(C)C(=O)CC(=O)N 2b084e59d4717c091a1b437eb00a63a0 [0,1,0,0,0,1|2,0,0]=4 462 B9R0.34 CCC(=O)/C=C(\C)/OCF 5fc987fc9d115b836526304c12dd453a [0,1,0,0,0,1|2,0,0]=4 463 B9R0.34 CCO/C(=C/C(=O)CC)/C c820e01072ca31bdd89ad2eb64e446a9 [0,1,0,0,0,1|1,0,0]=3 464 B9R0.34 CCOC(=O)CN(C)CC a8474fa2e310db8d1704be7deba7f938 [0,1,0,0,0,1|2,0,0]=4 465 B9R0.34 CCOC(C)CC(=O)OC bb8935a6b3f2527590add1883d9af4ba [0,1,0,0,0,1|1,0,1]=4 466 B9R0.34 CCO[C@@H](C)CC(=O)OC aac0a176fbc44f8c523dab5a743853de [0,1,0,0,0,1|1,0,1]=4 467 B9R0.34 CCO[C@H](C)CC(=O)OC 3c6c55836fc2ed2696b0ec29d17e7dcf [0,1,0,0,0,1|1,0,1]=4 468 B9R0.53 CC(=O)OC(C)OC(C)C 15386f8b89c66ca0048e9c86cc06f7a3 [0,1,0,0,0,1|1,0,1]=4 469 B9R0.27 C/C=C(/C)\C(=O)N(C)CC 9fa91b4515146cf54ea34af546995fd9 [0,2,0,0,0,0|2,0,0]=4 470 B9R0.27 C/C=C(\Br)/C(=O)N(C)CC 6a86ab85fd917d6cf53e345f01d204da [0,2,0,0,0,0|2,0,0]=4 471 B9R0.27 C/C=C(\C)/C(=O)N(C)CC 11c603d098729895dfc9cfd34404e259 [0,2,0,0,0,0|2,0,0]=4 472 B9R0.27 C/C=C(\Cl)/C(=O)N(C)CC ef52ad2e180c7ee6c15cd807b6f8c07a [0,2,0,0,0,0|2,0,0]=4 473 B9R0.27 C/C=C(\O)/C(=O)N(C)CC 98683799e8eae7b0ec85e8b0bcc5e212 [0,2,0,0,0,0|1,0,1]=4 474 B9R0.27 C=C(CC)C(=O)N(C)CC a8e60904281356ee3dd7316e1c7588a5 [0,2,0,0,0,0|2,0,0]=4 475 B9R0.27 C=C(CO)C(=O)N(C)CC 5e33ec7db73e1e518b6b08db32e20d63 [0,2,0,0,0,0|2,0,0]=4 476 B9R0.27 C=CC(=O)C(=O)N(C)CC d4e4cccc5501d2700ff4e5b5cdff130a [0,2,0,0,0,0|1,0,1]=4 477 B9R0.27 CC=C(C)C(=O)N(C)CC b9dda0c6e4d62f196d8479f711dec547 [0,2,0,0,0,0|2,0,0]=4 478 B9R0.27 CCC(=O)C(=O)N(C)CC 163ee20f26d0da3f1298e14f27aacbf4 [0,2,0,0,0,0|1,0,0]=3 479 B9R0.27 CCN(C)C(=O)C(=O)CS 393884064298aa4750dcc2768bb6d0cd [0,2,0,0,0,0|1,0,0]=3 480 B9R0.27 CCN(C)C(=O)C(=O)NC 1b0579ca1003148c13deaa4534fac5a4 [0,2,0,0,0,0|1,0,0]=3 481 B9R0.27 CCN(C)C(=O)C(=O)OC 356657e2714d07f9eafe225612663087 [0,2,0,0,0,0|1,0,0]=3 482 B9R0.79 C=C(C)C(=O)N(C)C(C)C f679e3d6f65ca6159355cc837ef1d7ec [0,2,0,0,0,0|2,0,0]=4 483 B9R0.79 CC(=O)C(=O)N(C)C(C)C c3e6c5d5fbc9b0d628b5fa2d3ff9665c [0,2,0,0,0,0|1,0,0]=3 484 B9R0.79 CC(C)N(C)C(=O)C(=O)N ed9d8ba2b6b4713da68fe65e5a84f664 [0,2,0,0,0,0|2,0,0]=4 485 B9R0.8 C#CCNC(=O)C(=O)CC 86cb4131eb139cb1e9927317d3252112 [0,2,0,0,0,0|1,0,1]=4 486 B9R0.8 C#CCNC(=O)C(=O)CS dbf088709d99757e528f318f7db8794a [0,2,0,0,0,0|1,0,1]=4 487 B9R0.8 C#CCNC(=O)C(=O)NC dfd946d32a958259770ed6a032b0c42e [0,2,0,0,0,0|1,0,1]=4 488 B9R0.8 C#CCNC(=O)C(=O)OC ee59baa62ed39b26719e1d5cd9e4140a [0,2,0,0,0,0|1,0,1]=4 489 B9R0.8 C/C=C(/C)\C(=O)NCCBr 2fc6c7a253cd0b1bb9cbedcc8b266e8f [0,2,0,0,0,0|2,0,0]=4 490 B9R0.8 C/C=C(/C)\C(=O)NCCC 76bee184509c6b407a5f278dad37cd89 [0,2,0,0,0,0|2,0,0]=4 491 B9R0.8 C/C=C(/C)\C(=O)NCCF 1871ce01ad45b39420a219ec33e5ecc0 [0,2,0,0,0,0|2,0,0]=4 492 B9R0.8 C/C=C(/C)\C(=O)NCCI 477f566e20ff965fdfc204d07990abd0 [0,2,0,0,0,0|2,0,0]=4 493 B9R0.8 C/C=C(/C)\C(=O)NCCO 23feb92a61c2e6edbb61c13f62ff4788 [0,2,0,0,0,0|2,0,0]=4 494 B9R0.8 C/C=C(/C)\C(=O)NCCS 16ed5275164848605db7c8b01747415a [0,2,0,0,0,0|2,0,0]=4 495 B9R0.8 C/C=C(\Br)/C(=O)NCCBr c3c80b6f5858e6a6c9c6cbb4b7fc1ce7 [0,2,0,0,0,0|2,0,0]=4 496 B9R0.8 C/C=C(\Br)/C(=O)NCCC 6ac93f175cf18b4a0f6eef070e4cfa24 [0,2,0,0,0,0|2,0,0]=4 497 B9R0.8 C/C=C(\Br)/C(=O)NCCF 2a63781edc56ed08a73fa8f3a492dc76 [0,2,0,0,0,0|2,0,0]=4 498 B9R0.8 C/C=C(\Br)/C(=O)NCCI 480dd85c3ec1c61baf60fde6ab722f2b [0,2,0,0,0,0|2,0,0]=4 499 B9R0.8 C/C=C(\Br)/C(=O)NCCO 0d66a896179e4d13401b3594fd04cc3c [0,2,0,0,0,0|2,0,0]=4 500 B9R0.8 C/C=C(\Br)/C(=O)NCCS 9d596d84a008a0322dda18de74058c46 [0,2,0,0,0,0|2,0,0]=4 501 B9R0.8 C/C=C(\C)/C(=O)NCCBr 6f0da8544075d4986aa058c4028dfca9 [0,2,0,0,0,0|2,0,0]=4 502 B9R0.8 C/C=C(\C)/C(=O)NCCC 8612f7fe245bdda74a48ef20b2ceffdb [0,2,0,0,0,0|2,0,0]=4 503 B9R0.8 C/C=C(\C)/C(=O)NCCF 429fccc903c23b9d6a52b50916bd29aa [0,2,0,0,0,0|2,0,0]=4 504 B9R0.8 C/C=C(\C)/C(=O)NCCI d9fb5f204e60c4e10955703375a6f0d9 [0,2,0,0,0,0|2,0,0]=4 505 B9R0.8 C/C=C(\C)/C(=O)NCCO 9141042ed831cd6bb2b91bc81eb7470c [0,2,0,0,0,0|2,0,0]=4 506 B9R0.8 C/C=C(\C)/C(=O)NCCS 9b0e1d81028a21b0faefd54cf47f28a8 [0,2,0,0,0,0|2,0,0]=4 507 B9R0.8 C/C=C(\Cl)/C(=O)NCCBr fbdffb32efcec14215ce5cc2387197e4 [0,2,0,0,0,0|2,0,0]=4 508 B9R0.8 C/C=C(\Cl)/C(=O)NCCC 6736ed1a11a628b0b687c7dc68880baf [0,2,0,0,0,0|2,0,0]=4 509 B9R0.8 C/C=C(\Cl)/C(=O)NCCF 7ce0feac241a68cf3efdc1ae617399be [0,2,0,0,0,0|2,0,0]=4 510 B9R0.8 C/C=C(\Cl)/C(=O)NCCI 28a778e2706211a598804b0767b6d30c [0,2,0,0,0,0|2,0,0]=4 511 B9R0.8 C/C=C(\Cl)/C(=O)NCCO 451a208e24d645bc09fb9258c3662ba1 [0,2,0,0,0,0|2,0,0]=4 512 B9R0.8 C/C=C(\Cl)/C(=O)NCCS 927d3faa820fde1d593f69389c2a7261 [0,2,0,0,0,0|2,0,0]=4 513 B9R0.8 C/C=C(\O)/C(=O)NCCBr 80f51710dab47f43307af8e78a38aa23 [0,2,0,0,0,0|1,0,1]=4 514 B9R0.8 C/C=C(\O)/C(=O)NCCC 23ea8aa451a9786ffb4e55e9ca0b886c [0,2,0,0,0,0|1,0,1]=4 515 B9R0.8 C/C=C(\O)/C(=O)NCCF f8c3f9612de438c22b1f38cdfd460c89 [0,2,0,0,0,0|1,0,1]=4 516 B9R0.8 C/C=C(\O)/C(=O)NCCI 5d62649bbceca78f7d55b241193f69eb [0,2,0,0,0,0|1,0,1]=4 517 B9R0.8 C/C=C(\O)/C(=O)NCCO 5dd6eddb5bf709fa88a9b0f6826b31f2 [0,2,0,0,0,0|1,0,1]=4 518 B9R0.8 C/C=C(\O)/C(=O)NCCS ee66338020c43593801f209322a9347d [0,2,0,0,0,0|1,0,1]=4 519 B9R0.8 C=C(CC)C(=O)NCCBr f32967722aa2c8624bf6abe1938b030d [0,2,0,0,0,0|2,0,0]=4 520 B9R0.8 C=C(CC)C(=O)NCCC 198297579d2c46e6f527f9db79959810 [0,2,0,0,0,0|2,0,0]=4 521 B9R0.8 C=C(CC)C(=O)NCCF 7d0a8defb76d3ce471b9549aa071dc94 [0,2,0,0,0,0|2,0,0]=4 522 B9R0.8 C=C(CC)C(=O)NCCI ce4a346bb104410d15875747df2935cc [0,2,0,0,0,0|2,0,0]=4 523 B9R0.8 C=C(CC)C(=O)NCCO 928b82dc2c09249dc53ce85c56cac0e4 [0,2,0,0,0,0|2,0,0]=4 524 B9R0.8 C=C(CC)C(=O)NCCS aa5b7fd43f45b1e227eeee918050ad3e [0,2,0,0,0,0|2,0,0]=4 525 B9R0.8 C=C(CO)C(=O)NCCBr bc8cfa46031b778f9a29e00705e81b73 [0,2,0,0,0,0|2,0,0]=4 526 B9R0.8 C=C(CO)C(=O)NCCC c3504c3ea7e29f01a12531c42d19d98e [0,2,0,0,0,0|2,0,0]=4 527 B9R0.8 C=C(CO)C(=O)NCCF 7e7149d6c9c09462347bd3d9d212468e [0,2,0,0,0,0|2,0,0]=4 528 B9R0.8 C=C(CO)C(=O)NCCI 473d6052afc1cabc9ed4cf10bb82a9ec [0,2,0,0,0,0|2,0,0]=4 529 B9R0.8 C=C(CO)C(=O)NCCO 863b1436660a74fb4c4278c6329fc4ef [0,2,0,0,0,0|2,0,0]=4 530 B9R0.8 C=C(CO)C(=O)NCCS 4a2b4d643c2a226dfd1353eca4018db4 [0,2,0,0,0,0|2,0,0]=4 531 B9R0.8 C=C(COCC)C(=O)OC ae9c69942d2175975ce6919e23e76991 [0,2,0,0,0,0|1,0,0]=3 532 B9R0.8 C=C(COCF)C(=O)OC 9fb9e20113e074bcf1b9aa06545d64b4 [0,2,0,0,0,0|2,0,0]=4 533 B9R0.8 C=CC(=O)C(=O)NCCBr c2969d18295957b1dbe471897dbc380d [0,2,0,0,0,0|1,0,1]=4 534 B9R0.8 C=CC(=O)C(=O)NCCC 927918b9fb07236d08cee9294dd952b5 [0,2,0,0,0,0|1,0,1]=4 535 B9R0.8 C=CC(=O)C(=O)NCCF 2c165e7fbde4d987944d19f7077a7bdc [0,2,0,0,0,0|1,0,1]=4 536 B9R0.8 C=CC(=O)C(=O)NCCI c78b76edce4a3ecb79ae59a041507f09 [0,2,0,0,0,0|1,0,1]=4 537 B9R0.8 C=CC(=O)C(=O)NCCO 6d4eb755bc4dc176c2783ad05796a528 [0,2,0,0,0,0|1,0,1]=4 538 B9R0.8 C=CC(=O)C(=O)NCCS 2516ee3ab6e4ad5719c3062f3df61c41 [0,2,0,0,0,0|1,0,1]=4 539 B9R0.8 CC=C(C)C(=O)NCCBr 229790a156714740e48255bc136996a5 [0,2,0,0,0,0|2,0,0]=4 540 B9R0.8 CC=C(C)C(=O)NCCC 9666b21f195424042b6e24bf8eb9f5b9 [0,2,0,0,0,0|2,0,0]=4 541 B9R0.8 CC=C(C)C(=O)NCCF 269393477cb60a70fea0c5c5e64175e2 [0,2,0,0,0,0|2,0,0]=4 542 B9R0.8 CC=C(C)C(=O)NCCI c85d4e0983f9fd9f31c8ead00d207e62 [0,2,0,0,0,0|2,0,0]=4 543 B9R0.8 CC=C(C)C(=O)NCCO 334e98e9ad0563073e45c6b1bee92b55 [0,2,0,0,0,0|2,0,0]=4 544 B9R0.8 CC=C(C)C(=O)NCCS 983f9f4a51ba718858e47301d24374af [0,2,0,0,0,0|2,0,0]=4 545 B9R0.8 CCC(=O)C(=O)NCC#N 68e67991b77746534799ffb04c192140 [0,2,0,0,0,0|1,0,1]=4 546 B9R0.8 CCC(=O)C(=O)NCCBr 84fc4faee770c4e2b17d9a450509f7c4 [0,2,0,0,0,0|1,0,0]=3 547 B9R0.8 CCC(=O)C(=O)NCCF 45f7aaa2290833f2ebffca2080080c8b [0,2,0,0,0,0|1,0,0]=3 548 B9R0.8 CCC(=O)C(=O)NCCI c47ec07c95fd9869aa39fe7c7de0290c [0,2,0,0,0,0|1,0,0]=3 549 B9R0.8 CCC(=O)C(=O)NCCO a7e0c4499eee6af2b5e9b45765eda93b [0,2,0,0,0,0|1,0,0]=3 550 B9R0.8 CCC(=O)C(=O)NCCS d8d72c0868c2b4d59d8957abf2f00ed5 [0,2,0,0,0,0|1,0,0]=3 551 B9R0.8 CCC(=O)C(C)OCCF a2a3e7db9ccfd3c538c971c8b56be4b0 [0,2,0,0,0,0|1,0,1]=4 552 B9R0.8 CCC(=O)C(C)OCCS 972e0b806873bc366e31ae5f8572a7b3 [0,2,0,0,0,0|1,0,1]=4 553 B9R0.8 CCC(=O)C(C)OCOC 3addba24d482e33b3f3ace5923030d28 [0,2,0,0,0,0|1,0,1]=4 554 B9R0.8 CCCNC(=O)C(=O)CC 50c3528e2a3a36795036ff6fd39f19ea [0,2,0,0,0,0|1,0,0]=3 555 B9R0.8 CCCNC(=O)C(=O)CS f77a300a00a8626828cedcc47e555849 [0,2,0,0,0,0|1,0,0]=3 556 B9R0.8 CCCNC(=O)C(=O)NC e46f12d3c545490ec9dbfc1a136b4b02 [0,2,0,0,0,0|1,0,0]=3 557 B9R0.8 CCCNC(=O)C(=O)OC 4b33c548ce70d1a847225c6eb880f588 [0,2,0,0,0,0|1,0,0]=3 558 B9R0.8 CCCOC(C)C(=O)CC 8ed9139bb3e33585a0fa3a410f80c3d4 [0,2,0,0,0,0|1,0,1]=4 559 B9R0.8 CCCOC(C)C(=O)NC 6c6db500b3d123e7885d4c8a3542da86 [0,2,0,0,0,0|1,0,1]=4 560 B9R0.8 CCCOC(C)C(=O)OC 6aeb6cf87a11cad68a57c617fd4dd6b3 [0,2,0,0,0,0|1,0,1]=4 561 B9R0.8 CCCO[C@@H](C)C(=O)OC 74882931e69b82142f87fd9cd5771d40 [0,2,0,0,0,0|1,0,1]=4 562 B9R0.8 CCCO[C@H](C)C(=O)OC df7cac25b325230b3fd4729465a84aae [0,2,0,0,0,0|1,0,1]=4 563 B9R0.8 CCOC=C(F)C(=O)OC 8533dc5da2314954488a7df259a72902 [0,2,0,0,0,0|1,0,0]=3 564 B9R0.8 CCOCC(=O)N(C)CC 3add8cdab6a5ad857d619a20fc9f3f22 [0,2,0,0,0,0|2,0,0]=4 565 B9R0.8 CCOCC(C)C(=O)OC 80236c9332b15389a08a7441e9591cd6 [0,2,0,0,0,0|1,0,1]=4 566 B9R0.8 CCOCC(F)C(=O)OC 293289f16cf9b946a849bc2001cde08d [0,2,0,0,0,0|1,0,1]=4 567 B9R0.8 CCOC[C@@H](C)C(=O)OC 906e0220267f0d94eef2fb7d2be7e97d [0,2,0,0,0,0|1,0,1]=4 568 B9R0.8 CCOC[C@H](C)C(=O)OC d76376f8be763bf61f075f3cd3189478 [0,2,0,0,0,0|1,0,1]=4 569 B9R0.8 CNC(=O)C(=O)NCC#N c86af15303eef9f5288915cd850259ef [0,2,0,0,0,0|1,0,1]=4 570 B9R0.8 CNC(=O)C(=O)NCCBr f8c63594bf47348149f74d45109933bf [0,2,0,0,0,0|1,0,0]=3 571 B9R0.8 CNC(=O)C(=O)NCCF 697dd0ff4e4e824bd392cb165edd2d97 [0,2,0,0,0,0|1,0,0]=3 572 B9R0.8 CNC(=O)C(=O)NCCI 79969295ddf67bb8ea5100823a97e3ab [0,2,0,0,0,0|1,0,0]=3 573 B9R0.8 CNC(=O)C(=O)NCCO 0faeaeeb75e067b34fa6aae2cf031742 [0,2,0,0,0,0|1,0,0]=3 574 B9R0.8 CNC(=O)C(=O)NCCS e026e8ab3abe5a671931ba14a8395c38 [0,2,0,0,0,0|1,0,0]=3 575 B9R0.8 COC(=O)C(=COCF)F c44529ae7f33130c94670a08deb1f768 [0,2,0,0,0,0|2,0,0]=4 576 B9R0.8 COC(=O)C(=O)NCC#N e951059834c6f886e5f126c9318c132c [0,2,0,0,0,0|1,0,1]=4 577 B9R0.8 COC(=O)C(=O)NCCBr 8767aa6d98ff9d853f8410f1b29b8d95 [0,2,0,0,0,0|1,0,0]=3 578 B9R0.8 COC(=O)C(=O)NCCF 7400fc8b15c2ce19bc52ed1c216b9ad5 [0,2,0,0,0,0|1,0,0]=3 579 B9R0.8 COC(=O)C(=O)NCCI 0df42588091d055b1188e4ae0243eb0c [0,2,0,0,0,0|1,0,0]=3 580 B9R0.8 COC(=O)C(=O)NCCO c95a2a1ebbe11de2b9a41a25c915d3ee [0,2,0,0,0,0|1,0,0]=3 581 B9R0.8 COC(=O)C(=O)NCCS df5b83bbed2d7e5f3575f51f891b322f [0,2,0,0,0,0|1,0,0]=3 582 B9R0.8 COC(=O)C(C)OCCF 100059756fd900098c62556a2ae1ce35 [0,2,0,0,0,0|1,0,1]=4 583 B9R0.8 COC(=O)C(C)OCCS e7025bf903a8d5f820d0296de478345d [0,2,0,0,0,0|1,0,1]=4 584 B9R0.8 COC(=O)C(C)OCSC ebd918713d697a3d130a3e5b592f95ea [0,2,0,0,0,0|1,0,1]=4 585 B9R0.8 COC(=O)[C@@H](C)OCCF d1c1991f25a8b884548cfd60d33876dd [0,2,0,0,0,0|1,0,1]=4 586 B9R0.8 COC(=O)[C@@H](C)OCCS 9ef70f4f282a66cce9dfb1e835575055 [0,2,0,0,0,0|1,0,1]=4 587 B9R0.8 COC(=O)[C@@H](C)OCSC 28e79a44863d047cc528276a78c0c9cd [0,2,0,0,0,0|1,0,1]=4 588 B9R0.8 COC(=O)[C@H](C)OCCF 29fbfe09a06b54c89987b94c571cc4e4 [0,2,0,0,0,0|1,0,1]=4 589 B9R0.8 COC(=O)[C@H](C)OCCS cacca195083b683b3e20b6ded7274a88 [0,2,0,0,0,0|1,0,1]=4 590 B9R0.8 COC(=O)[C@H](C)OCSC 18a62ed2db31e4b687bb63a6d3283424 [0,2,0,0,0,0|1,0,1]=4 591 B9R0.8 COCOC(C)C(=O)OC 9848f05d221db1285aa396c5cdb54009 [0,2,0,0,0,0|1,0,1]=4 592 B9R0.8 COCO[C@@H](C)C(=O)OC d3164128e1fe62adbc450c7289f3cf7d [0,2,0,0,0,0|1,0,1]=4 593 B9R0.8 COCO[C@H](C)C(=O)OC 17521579f3e79d24afec0b769bf2889d [0,2,0,0,0,0|1,0,1]=4 594 B9R0.8 N#CCNC(=O)C(=O)CS c677951f178ff5abb75d732183a541df [0,2,0,0,0,0|1,0,1]=4 595 B9R0.8 O=C(CS)C(=O)NCCBr 340a3bb1044c34f19149637f0ce02852 [0,2,0,0,0,0|1,0,0]=3 596 B9R0.8 O=C(CS)C(=O)NCCF 6e22085c087cc201e19be165fc8d323c [0,2,0,0,0,0|1,0,0]=3 597 B9R0.8 O=C(CS)C(=O)NCCI 91853e693f5f480eaba79de8acd88642 [0,2,0,0,0,0|1,0,0]=3 598 B9R0.8 O=C(CS)C(=O)NCCO dcc1c6d5c654a6b221cd9d032edbaf11 [0,2,0,0,0,0|1,0,0]=3 599 B9R0.8 O=C(CS)C(=O)NCCS ebd815b9d550d75dda5475bb6e23572e [0,2,0,0,0,0|1,0,0]=3 600 B9R0.12 C=CC(OCC)C(=O)OC ba17400c182b6eb52292b1acf453e8ee [0,2,0,0,0,0|1,0,1]=4 601 B9R0.12 CCOC(C#N)C(=O)OC 7550b9a56c75dcfedb89f20d340f3156 [0,2,0,0,0,0|1,0,1]=4 602 B9R0.12 CCOC(CC)C(=O)CC dc229763be7b8d495a3c742a2765e48c [0,2,0,0,0,0|1,0,1]=4 603 B9R0.12 CCOC(CC)C(=O)OC dafeac8a9e49a0ca9bcc192bdedd1ece [0,2,0,0,0,0|1,0,1]=4 604 B9R0.12 CCOC(OC)C(=O)OC 739d4987749edc9d825824bfb39658eb [0,2,0,0,0,0|0,0,2]=4 605 B9R0.12 CCO[C@@H](CC)C(=O)OC 5a2831785b533bb4fd647aebbcb4d403 [0,2,0,0,0,0|1,0,1]=4 606 B9R0.12 CCO[C@H](CC)C(=O)OC 46c21ea7eed63401aa22bf6ce0cd90ba [0,2,0,0,0,0|1,0,1]=4 607 B9R0.35 CCCC(=O)C(=O)NC#N b0e31a923e401cdffbd3c05c090cb38f [0,2,0,0,0,0|1,0,1]=4 608 B9R0.35 CCNC(=O)C(=O)NC#N 4e6dbdd2c3631f27703e6beafbbc8cc5 [0,2,0,0,0,0|1,0,1]=4 609 B9R0.35 CCNC(=O)[C@H](C)NC=O 91ed9b5a21373d5f20dc0bb59f8b266a [0,2,0,0,0,0|1,0,1]=4 610 B9R0.35 CCN[C@H](C)C(=O)OCC 6875bcc526feb7ae66bd8400bcf3b7da [0,2,0,0,0,0|1,0,1]=4 611 B9R0.35 CCOC(=O)C(=O)NC#N aabdf5c0e48176e759836e38b830f19d [0,2,0,0,0,0|0,0,1]=3 612 B9R0.35 CCOC(=O)C(C)NC#N ee901cb3285a6cbc45d9e42c5a9ba4f4 [0,2,0,0,0,0|1,0,1]=4 613 B9R0.35 CCOC(=O)C(C)OCC f445527160852fc0c43d12c8fe5320cc [0,2,0,0,0,0|0,0,2]=4 614 B9R0.35 CCOC(=O)C(C)OCF b72a5184b9f7f92b79234cb6ae816d22 [0,2,0,0,0,0|0,0,2]=4 615 B9R0.35 CCOC(=O)[C@@H](C)NC#N 4ef4dae9eb48172d3ac21aceb39b4367 [0,2,0,0,0,0|1,0,1]=4 616 B9R0.35 CCOC(=O)[C@@H](C)NC=O 0f9df579f01069965cc9e83014d5c672 [0,2,0,0,0,0|0,0,1]=3 617 B9R0.35 CCOC(=O)[C@@H](C)NCF a34a0072dde6c8449b3b5e27f2813cc5 [0,2,0,0,0,0|1,0,1]=4 618 B9R0.35 CCOC(=O)[C@@H](C)NCO 3ba9ba881d44f88d48cc363193979b75 [0,2,0,0,0,0|0,0,2]=4 619 B9R0.35 CCOC(=O)[C@@H](C)OCC 631e97abb6fd65233abf22b379a869bf [0,2,0,0,0,0|0,0,2]=4 620 B9R0.35 CCOC(=O)[C@@H](C)OCF db29af7be0cd6ce5187adc16610b9c75 [0,2,0,0,0,0|0,0,2]=4 621 B9R0.35 CCOC(=O)[C@H](C)NC#N e05af30a41b2e2170a2cd5e6b335fdff [0,2,0,0,0,0|1,0,1]=4 622 B9R0.35 CCOC(=O)[C@H](C)OCC 62fff8344bfc0cb3adfb9e62dd68064a [0,2,0,0,0,0|0,0,2]=4 623 B9R0.35 CCOC(=O)[C@H](C)OCF 58d923bf5f6e3bf0a31b0bd24fb6ba13 [0,2,0,0,0,0|0,0,2]=4 624 B9R0.3 CCOCC(=O)C(C)(C)C 9a9b9f98f72d0dc2b8e97c09f87efe0c [0,2,0,0,0,0|1,0,1]=4 625 B9R0.7 C=C(Br)CNC(=O)C(=O)C a8d9ea1875a38057379a240b48382abd [0,2,0,0,0,0|1,0,1]=4 626 B9R0.7 C=C(C)C(=O)NCC(=O)C 8dd3fae3fe2a44083754a0af37142576 [0,2,0,0,0,0|2,0,0]=4 627 B9R0.7 C=C(C)C(=O)NCC(C)C 3a8855568cc2b1df3fef6c98c7c011f0 [0,2,0,0,0,0|2,0,0]=4 628 B9R0.7 C=C(C)C(=O)NCC(C)O 38b25d3536775dc28ab6b9199bed477a [0,2,0,0,0,0|2,0,0]=4 629 B9R0.7 C=C(C)C(=O)NCC(F)F b7c636e078f70688c14e9b1a9304cad0 [0,2,0,0,0,0|2,0,0]=4 630 B9R0.7 C=C(C)C(=O)NC[C@@H](C)O f76078e1d0fb7266f815fdf4bcdc4a60 [0,2,0,0,0,0|2,0,0]=4 631 B9R0.7 C=C(C)C(=O)NC[C@H](C)O fc07f36b455ba599d11a561f48e201e0 [0,2,0,0,0,0|2,0,0]=4 632 B9R0.7 C=C(C)CNC(=O)C(=C)C f323d5f5ace5a0238527a8e48c4cb531 [0,2,0,0,0,0|2,0,0]=4 633 B9R0.7 C=C(C)CNC(=O)C(=O)C d8a1cea601efd30470d9f7f5b4ee577c [0,2,0,0,0,0|1,0,0]=3 634 B9R0.7 C=C(C)CNC(=O)C(=O)N ad1145eddbf5c6c949bc884db8bbd167 [0,2,0,0,0,0|2,0,0]=4 635 B9R0.7 C=C(C)COC(C)C(=O)C a9624bc15e55dae782589a6cc8163e2f [0,2,0,0,0,0|1,0,1]=4 636 B9R0.7 C=C(COC(C)C)C(=O)O 08af2dc39e62b65e4314b95084281cb8 [0,2,0,0,0,0|2,0,0]=4 637 B9R0.7 CC(=O)C(=O)COC(C)C 54d4688b93c903c69f0b1be1e953d6a6 [0,2,0,0,0,0|0,0,0]=2 638 B9R0.7 CC(=O)C(=O)NCC(=O)N 265792f446b39d85ab8aa40029e38320 [0,2,0,0,0,0|1,0,1]=4 639 B9R0.7 CC(=O)C(=O)NCC(C)C b29618f1c8ca27f367008990e8e5a8b7 [0,2,0,0,0,0|1,0,0]=3 640 B9R0.7 CC(=O)C(=O)NCC(C)O e690b65d928d90fc0d6b12987d3a9371 [0,2,0,0,0,0|1,0,0]=3 641 B9R0.7 CC(=O)C(=O)NCC(F)F bed475a426664fc776a7f5f5ea9bdc0e [0,2,0,0,0,0|1,0,0]=3 642 B9R0.7 CC(=O)C(=O)NC[C@@H](C)O 5a868f0143dd3dcf1b98a4ac7490f231 [0,2,0,0,0,0|1,0,0]=3 643 B9R0.7 CC(=O)C(=O)NC[C@H](C)O 98b4664b095699e712a1c75ed18a6d3f [0,2,0,0,0,0|1,0,0]=3 644 B9R0.7 CC(=O)C(C)COC(C)C 1df3af33bb10f4130bd5a1f178c7f9bf [0,2,0,0,0,0|1,0,1]=4 645 B9R0.7 CC(=O)C(C)OCC(C)C b597db97ba4a1b37c01b4596aa7d0e32 [0,2,0,0,0,0|1,0,1]=4 646 B9R0.7 CC(=O)C(C)OCC(C)F 4b45b9d962ab1d259ccbdd28caf6e6fa [0,2,0,0,0,0|1,0,1]=4 647 B9R0.7 CC(=O)C(C)OCC(C)S 17627540e8ffdc051ce55846de2b0596 [0,2,0,0,0,0|1,0,1]=4 648 B9R0.7 CC(=O)C(C)OCC(F)F 01292f329a15add4759d50c8f6a9525d [0,2,0,0,0,0|1,0,1]=4 649 B9R0.7 CC(=O)C(C)OCN(C)C 4a9ba59316231dd2931d4f58984dee40 [0,2,0,0,0,0|1,0,1]=4 650 B9R0.7 CC(=O)C(C)OC[C@@H](C)F 784436d88442fe992770881e7dbe9a49 [0,2,0,0,0,0|1,0,1]=4 651 B9R0.7 CC(=O)C(C)OC[C@H](C)F 19debbdbd9a9952a7cd21699233057a4 [0,2,0,0,0,0|1,0,1]=4 652 B9R0.7 CC(=O)CNC(=O)C(=O)C 3a5c25d3d66f29fd93aadc7437873a63 [0,2,0,0,0,0|1,0,0]=3 653 B9R0.7 CC(=O)CNC(=O)C(=O)N 202403fba6b53d5dc3db71d88a569b00 [0,2,0,0,0,0|2,0,0]=4 654 B9R0.7 CC(=O)COC(C)C(=O)C 247ac15271039fbba907fd165b3eb5ca [0,2,0,0,0,0|1,0,1]=4 655 B9R0.7 CC(C)CNC(=O)C(=O)N 467548fd3f656b830c1aa75fc9c4fe09 [0,2,0,0,0,0|2,0,0]=4 656 B9R0.7 CC(C)OCC(=O)C(C)C bf83dd2bb7f01d8b3714fa98562a9bd7 [0,2,0,0,0,0|1,0,1]=4 657 B9R0.7 CC(C)OCC(=O)N(C)C 9d66c4816e421dd52fb4d02dee5a641e [0,2,0,0,0,0|2,0,0]=4 658 B9R0.7 CC(O)CNC(=O)C(=O)N 5acaeaad9afacc069c6052b3d86e0546 [0,2,0,0,0,0|2,0,0]=4 659 B9R0.7 C[C@@H](O)CNC(=O)C(=O)N 21c67be0c21b9df9061a3a3e23df60ae [0,2,0,0,0,0|2,0,0]=4 660 B9R0.7 C[C@H](O)CNC(=O)C(=O)N 3bf14010525fbd226388b8fe5a48136f [0,2,0,0,0,0|2,0,0]=4 661 B9R0.7 NC(=O)C(=O)NCC(F)F f5fba92bc8bd19a5e5beee2979f5b9d3 [0,2,0,0,0,0|2,0,0]=4 662 B9R0.13 C/C=C(\OCCC)/C(=O)O 805835d2fd7a7175bc2df69132bafc8c [0,2,0,0,0,0|2,0,0]=4 663 B9R0.13 C/C=C(\OCCF)/C(=O)O 4c391258a63af4912dc1a19cc30f3f17 [0,2,0,0,0,0|2,0,0]=4 664 B9R0.13 C/C=C(\OCCS)/C(=O)O dc4d3470500c2b5f90dbe050d8f95d15 [0,2,0,0,0,0|2,0,0]=4 665 B9R0.13 C/C=C(\OCOC)/C(=O)O ecdcb7748e59f7015e37a61c03c6e3e7 [0,2,0,0,0,0|2,0,0]=4 666 B9R0.13 C/C=C(\OCSC)/C(=O)O 9c894bfd9598c733e4f3bb22ad8e947c [0,2,0,0,0,0|2,0,0]=4 667 B9R0.42 C#CC(C)NC(=O)C(=C)C 29c652dc740d4f0c99101352d9afb994 [0,2,0,0,0,0|2,0,0]=4 668 B9R0.42 C#CC(C)NC(=O)C(=O)C ad0b883f4f139a629302a5d13b6e2e76 [0,2,0,0,0,0|1,0,0]=3 669 B9R0.42 C#CC(C)NC(=O)C(=O)N a3c539691f38d8c0023817c9b7adef94 [0,2,0,0,0,0|2,0,0]=4 670 B9R0.42 C#CC(C)OC(C)C(=O)C d67cc68d6942fd399d80f7f873045c4f [0,2,0,0,0,0|1,0,1]=4 671 B9R0.42 C#C[C@@H](C)NC(=O)C(=C)C a4c1ff216e1a055303d79c2043bfbc75 [0,2,0,0,0,0|2,0,0]=4 672 B9R0.42 C#C[C@@H](C)NC(=O)C(=O)C 0a955f294c6de3f7cff02e2ef64cae45 [0,2,0,0,0,0|1,0,0]=3 673 B9R0.42 C#C[C@@H](C)NC(=O)C(=O)N 5b927ccf91fd6a57da3de9a05c1b02a1 [0,2,0,0,0,0|2,0,0]=4 674 B9R0.42 C#C[C@@H](C)OC(C)C(=O)C c6c83b7d9e01c5899dc0569ec0f529fa [0,2,0,0,0,0|1,0,1]=4 675 B9R0.42 C#C[C@H](C)NC(=O)C(=C)C 978d5c109530d3a2ac1f246992ea657a [0,2,0,0,0,0|2,0,0]=4 676 B9R0.42 C#C[C@H](C)NC(=O)C(=O)C 6ca4ff7692da2ccf7d9dee0191bedfed [0,2,0,0,0,0|1,0,0]=3 677 B9R0.42 C#C[C@H](C)NC(=O)C(=O)N 469af68799285d4657541a0412dd92fb [0,2,0,0,0,0|2,0,0]=4 678 B9R0.42 C#C[C@H](C)OC(C)C(=O)C f3b741c52c6a0b9d9ae1371aab80e07e [0,2,0,0,0,0|1,0,1]=4 679 B9R0.42 C=C(C)C(=O)NC(C)C#N 7a04667d9dee372f27f6363bb2e5669e [0,2,0,0,0,0|2,0,0]=4 680 B9R0.42 C=C(C)C(=O)NC(C)CC 44fd1d7c8b36a239f8cfcdc8fcc591f4 [0,2,0,0,0,0|2,0,0]=4 681 B9R0.42 C=C(C)C(=O)NC(C)CO 1a6d85cbba61bbebc8e92fbc6151887f [0,2,0,0,0,0|2,0,0]=4 682 B9R0.42 C=C(C)C(=O)N[C@@H](C)CC 1c7e9305db890c47924d3022381d76b6 [0,2,0,0,0,0|2,0,0]=4 683 B9R0.42 C=C(C)C(=O)N[C@@H](C)CO 9d66ee277e8d279be01645fa33cee12b [0,2,0,0,0,0|2,0,0]=4 684 B9R0.42 C=C(C)C(=O)N[C@H](C)CC 980daea2adc65e6baa814ee0a203ae85 [0,2,0,0,0,0|2,0,0]=4 685 B9R0.42 C=C(C)C(=O)N[C@H](C)CO 47ad5bef6d51523401cec84d2b7bc4f4 [0,2,0,0,0,0|2,0,0]=4 686 B9R0.42 C=CC(C)NC(=O)C(=C)C 2d4a97c1289bf07cbe265965144e2898 [0,2,0,0,0,0|2,0,0]=4 687 B9R0.42 C=CC(C)NC(=O)C(=O)C 818fec27ddefba04956db68480302e88 [0,2,0,0,0,0|1,0,0]=3 688 B9R0.42 C=CC(C)NC(=O)C(=O)N 562d935e5df30f67f09072136575a12b [0,2,0,0,0,0|2,0,0]=4 689 B9R0.42 C=CC(C)OC(C)C(=O)C ab936aa774bd5c6ef5ac85edf19199f5 [0,2,0,0,0,0|1,0,1]=4 690 B9R0.42 C=C[C@H](C)OC(C)C(=O)C a54bcb8f92875394951adb66f86e02a5 [0,2,0,0,0,0|1,0,1]=4 691 B9R0.42 CC(=O)C(=O)NC(C)C#N 1e90611c42a7a83e90f5a584c513fd1c [0,2,0,0,0,0|1,0,0]=3 692 B9R0.42 CC(=O)C(=O)NC(C)CO 5a5c39969f862d30f121c04111ebfa87 [0,2,0,0,0,0|1,0,0]=3 693 B9R0.42 CC(=O)C(=O)N[C@@H](C)CO 9569a2680f767015fde6d0b0539cf153 [0,2,0,0,0,0|1,0,0]=3 694 B9R0.42 CC(=O)C(=O)N[C@H](C)CO b5213d0d1c49ac7c2edcbf8d16dee1e3 [0,2,0,0,0,0|1,0,0]=3 695 B9R0.42 CC(=O)C(C)OC(C)C#N 52a683dd8a799f8442f8d1e7c66e5cdf [0,2,0,0,0,0|1,0,1]=4 696 B9R0.42 CC(=O)C(C)OC(C)C=O e30cb5c4afadcb5cc89d5147c025e3ef [0,2,0,0,0,0|1,0,1]=4 697 B9R0.42 CC(=O)C(C)OC(C)CF 9343945fc506d50c4bb5ff89a8cfe5a4 [0,2,0,0,0,0|1,0,1]=4 698 B9R0.42 CC(=O)C(C)OC(C)CS f4a74ee84125f463e0f184fd01fa05d4 [0,2,0,0,0,0|1,0,1]=4 699 B9R0.42 CC(=O)C(C)O[C@H](C)C=O a1c934d8c05284499b27092fa46f8a7a [0,2,0,0,0,0|1,0,1]=4 700 B9R0.42 CC(=O)C(C)O[C@H](C)CS 9dc2a55710bbe85b31072d4f57b22eb8 [0,2,0,0,0,0|1,0,1]=4 701 B9R0.42 CC(C#N)NC(=O)C(=O)N 0e81c603d799e4d120c4d1ce65637777 [0,2,0,0,0,0|2,0,0]=4 702 B9R0.42 CC(CO)NC(=O)C(=O)N 981419116bd330c4ca6478c64604cdd8 [0,2,0,0,0,0|2,0,0]=4 703 B9R0.42 CCC(C)NC(=O)C(=O)C b88dde23e48efe99aafeecc7cda67b85 [0,2,0,0,0,0|1,0,0]=3 704 B9R0.42 CCC(C)NC(=O)C(=O)N ea46c26843a960839fd848eedcbbb779 [0,2,0,0,0,0|2,0,0]=4 705 B9R0.42 CCC(C)OC(C)C(=O)C 869490a476a05fd9f4215591c2108bcf [0,2,0,0,0,0|1,0,1]=4 706 B9R0.42 CCN(C)CC(=O)C(=O)C 2604ddc77473b543234427eb838b9328 [0,2,0,0,0,0|1,0,0]=3 707 B9R0.42 CCN(C)CC(=O)C(=O)O 69b21dc210a575cfa14653a614f06f44 [0,2,0,0,0,0|2,0,0]=4 708 B9R0.42 CC[C@@H](C)NC(=O)C(=O)C 6feb51e3f091d8424d5a2a7666ce09bb [0,2,0,0,0,0|1,0,0]=3 709 B9R0.42 CC[C@@H](C)NC(=O)C(=O)N 80cc930d2405733be40030e5f6cb1eb9 [0,2,0,0,0,0|2,0,0]=4 710 B9R0.42 CC[C@@H](C)OC(C)C(=O)C 295eb013673e453ac32386a805e93771 [0,2,0,0,0,0|1,0,1]=4 711 B9R0.42 CC[C@H](C)NC(=O)C(=O)C 02a97ab8c9ee5fd4e7a804cd14237c27 [0,2,0,0,0,0|1,0,0]=3 712 B9R0.42 CC[C@H](C)NC(=O)C(=O)N f18718c3a127bec4f2e8f31b0a844663 [0,2,0,0,0,0|2,0,0]=4 713 B9R0.42 CC[C@H](C)OC(C)C(=O)C 6af11b8669d1b3b219988957a2f45060 [0,2,0,0,0,0|1,0,1]=4 714 B9R0.42 C[C@@H](CO)NC(=O)C(=O)N 6d5caaf306105ccc595b4304019de9a4 [0,2,0,0,0,0|2,0,0]=4 715 B9R0.42 C[C@H](CO)NC(=O)C(=O)N 442b84cac48dc01b1a046cfb8f583325 [0,2,0,0,0,0|2,0,0]=4 716 B9R0.47 C#CCCNC(=O)C(=C)C bf659c93a0b21c234a20585b305edcf3 [0,2,0,0,0,0|2,0,0]=4 717 B9R0.47 C#CCCNC(=O)C(=O)C 37e32ae71253d07eab86a6e1561e41a4 [0,2,0,0,0,0|1,0,0]=3 718 B9R0.47 C#CCCNC(=O)C(=O)N 74c0f089a21f071ae5843c6953ac6909 [0,2,0,0,0,0|2,0,0]=4 719 B9R0.47 C#CCCOC(C)C(=O)C c16cabd3f2e01c83adc0ce5bb7e1bff6 [0,2,0,0,0,0|1,0,1]=4 720 B9R0.47 C#CCNCC(=O)C(=O)C e9b131a7d4e1640ec0af040162afc467 [0,2,0,0,0,0|1,0,1]=4 721 B9R0.47 C#CCOCC(=O)C(=O)C 5b6dcce9b4ae4faed0ae9022cc412858 [0,2,0,0,0,0|0,0,1]=3 722 B9R0.47 C/C=C/COC(C)C(=O)C 442f6ba7ccb618b44ece9e7543fb1ba1 [0,2,0,0,0,0|1,0,1]=4 723 B9R0.47 C/C=C\COC(C)C(=O)C eb57a6060cd0a32764cc48aa3240bc7e [0,2,0,0,0,0|1,0,1]=4 724 B9R0.47 C=C(C)C(=O)NCC#CC ea6bb36188e2b083f8e41fde8c4ad3b5 [0,2,0,0,0,0|2,0,0]=4 725 B9R0.47 C=C(C)C(=O)NCC=CC 58a9501166886f3968622ec622e3155d [0,2,0,0,0,0|2,0,0]=4 726 B9R0.47 C=C(C)C(=O)NCCC#N d9231ae1764f4d51ed4a537ae2e6c4ba [0,2,0,0,0,0|2,0,0]=4 727 B9R0.47 C=C(C)C(=O)NCCCC 9633bcca99f1bcc8d8b16f91ececec4f [0,2,0,0,0,0|2,0,0]=4 728 B9R0.47 C=C(C)C(=O)NCCCCl c951b34ad329118b9f755f805c647ef3 [0,2,0,0,0,0|2,0,0]=4 729 B9R0.47 C=C(C)C(=O)NCCCO 1c3be591a39956b4e97ebd0d5a168bc2 [0,2,0,0,0,0|2,0,0]=4 730 B9R0.47 C=C(C)C(=O)NCCOC 87850b33e1168d3d83dd4d909e222ff7 [0,2,0,0,0,0|2,0,0]=4 731 B9R0.47 C=C(C)C(=O)NCCON 923f02356cac39b0d29d1085305bb33e [0,2,0,0,0,0|2,0,0]=4 732 B9R0.47 C=C(C)C(=O)NCCSC 1532490e2baec798b8deb350615b603d [0,2,0,0,0,0|2,0,0]=4 733 B9R0.47 C=C(COCCC)C(=O)O 6349e1fecc0027622ab4063869db7ad1 [0,2,0,0,0,0|2,0,0]=4 734 B9R0.47 C=C(COCCF)C(=O)O 8e5f19ef7ea198153a766caad601e6d3 [0,2,0,0,0,0|2,0,0]=4 735 B9R0.47 C=C(COCCS)C(=O)O d26062daf53a0693123b55ae449b4416 [0,2,0,0,0,0|2,0,0]=4 736 B9R0.47 C=C(COCOC)C(=O)O db9a1d87974cd7afb451a971dc800c29 [0,2,0,0,0,0|2,0,0]=4 737 B9R0.47 C=C(COCSC)C(=O)O e48cab1f5cec74e7f20a44e87bb004f7 [0,2,0,0,0,0|2,0,0]=4 738 B9R0.47 C=CCCNC(=O)C(=C)C 2e63bcfa05f26653ce4ccadf46eb4713 [0,2,0,0,0,0|2,0,0]=4 739 B9R0.47 C=CCCNC(=O)C(=O)C bb39159fa788dccbe51e6f53cc22586f [0,2,0,0,0,0|1,0,0]=3 740 B9R0.47 C=CCCNC(=O)C(=O)N 355a8c08a9a1d709452948a9a9063dbc [0,2,0,0,0,0|2,0,0]=4 741 B9R0.47 C=CCCOC(C)C(=O)C a6fb25b2aa243624e8ae58accfb0aacf [0,2,0,0,0,0|1,0,1]=4 742 B9R0.47 CC#CCNC(=O)C(=O)C e952e014bab2b7b69f5122365229d622 [0,2,0,0,0,0|1,0,0]=3 743 B9R0.47 CC#CCOC(C)C(=O)C 591500881bc7c95c2ccc6362441f53b4 [0,2,0,0,0,0|1,0,1]=4 744 B9R0.47 CC(=O)C(=O)CNCC#N dc829176d787827c120be03bf6d93d6a [0,2,0,0,0,0|1,0,1]=4 745 B9R0.47 CC(=O)C(=O)CNCCBr 1d114d2c3229e5b561cf3a692b590852 [0,2,0,0,0,0|1,0,0]=3 746 B9R0.47 CC(=O)C(=O)CNCCF b5c5172bd20b88a08dc77f81006d13f8 [0,2,0,0,0,0|1,0,0]=3 747 B9R0.47 CC(=O)C(=O)CNCCI 541de3fbaad1da9fec6fbd5095630a6a [0,2,0,0,0,0|1,0,0]=3 748 B9R0.47 CC(=O)C(=O)CNCCO 2d16b85b7fabe2e3b215c005f728463d [0,2,0,0,0,0|1,0,0]=3 749 B9R0.47 CC(=O)C(=O)CNCCS 87b42f265888e8df4a9ea1dbbef125d7 [0,2,0,0,0,0|1,0,0]=3 750 B9R0.47 CC(=O)C(=O)COCC#N faebab15596f03c7b8cd339670a2aad4 [0,2,0,0,0,0|0,0,1]=3 751 B9R0.47 CC(=O)C(=O)COCCF 378c06b0db0803ebcd6c97d1b308e70a [0,2,0,0,0,0|0,0,0]=2 752 B9R0.47 CC(=O)C(=O)COCCS 97aafe4148347becc65789acfd98e2d3 [0,2,0,0,0,0|0,0,0]=2 753 B9R0.47 CC(=O)C(=O)NCCC#N 155427679432105668aaab31f291900b [0,2,0,0,0,0|1,0,0]=3 754 B9R0.47 CC(=O)C(=O)NCCCCl 1f11616c914494eaff8a5c5e77f3591e [0,2,0,0,0,0|1,0,0]=3 755 B9R0.47 CC(=O)C(=O)NCCCO 07a7bb6909cab345c32ae2fba7f9de80 [0,2,0,0,0,0|1,0,0]=3 756 B9R0.47 CC(=O)C(=O)NCCON bc2d09fa791852c78f0c357aedc8ca60 [0,2,0,0,0,0|1,0,0]=3 757 B9R0.47 CC(=O)C(C)COCCF d9199bd35eb3a0d86d7196c7edaf28a6 [0,2,0,0,0,0|1,0,1]=4 758 B9R0.47 CC(=O)C(C)COCCS b5792902c335fbc91a99c92c76f4a3db [0,2,0,0,0,0|1,0,1]=4 759 B9R0.47 CC(=O)C(C)OCCC#N abbadef77fefaa76b8565a4e745d3fb8 [0,2,0,0,0,0|1,0,1]=4 760 B9R0.47 CC(=O)C(C)OCCC=O c4c6596677726b85cf0e89845c13c144 [0,2,0,0,0,0|1,0,1]=4 761 B9R0.47 CC(=O)C(C)OCCCF ae1bb5f07026ca335c76712e926bea04 [0,2,0,0,0,0|1,0,1]=4 762 B9R0.47 CC(=O)C(C)OCCCS 94b5d5985bff151041a96c5eff5a3497 [0,2,0,0,0,0|1,0,1]=4 763 B9R0.47 CC(C)C(=O)COCCF 4f1bc9b8b539d5dae28f6e74704c52f8 [0,2,0,0,0,0|1,0,1]=4 764 B9R0.47 CC(C)C(=O)COCCS 727a9cc3d8a2ba13aba168e13d3ab5e9 [0,2,0,0,0,0|1,0,1]=4 765 B9R0.47 CC=CCNC(=O)C(=O)C 7ec7ded94a2b7899cf7876932181fb94 [0,2,0,0,0,0|1,0,0]=3 766 B9R0.47 CC=CCNC(=O)C(=O)N 792973965a7c079de2a0d7fe2b14ff8d [0,2,0,0,0,0|2,0,0]=4 767 B9R0.47 CC=CCOC(C)C(=O)C 179b5ad7798aa93cc9ad151bc7a75771 [0,2,0,0,0,0|1,0,1]=4 768 B9R0.47 CCCCNC(=O)C(=O)C e2af56b2a4daa16b7084e7fa0ba1fc1b [0,2,0,0,0,0|1,0,0]=3 769 B9R0.47 CCCCNC(=O)C(=O)N b915f31213bcde5e67bb9bcc60169849 [0,2,0,0,0,0|2,0,0]=4 770 B9R0.47 CCCCOC(C)C(=O)C 3b3363fbf77442cb469e854d17d868a5 [0,2,0,0,0,0|1,0,1]=4 771 B9R0.47 CCCNCC(=O)C(=O)C 7ba1a39130517d9740af6669e15ee16e [0,2,0,0,0,0|1,0,0]=3 772 B9R0.47 CCCNCC(=O)C(=O)O 4e1ace0c3acec461be076667f808e14c [0,2,0,0,0,0|2,0,0]=4 773 B9R0.47 CCCOCC(=O)C(=O)C ab7906fc53dd4771247d3e1650b32b1f [0,2,0,0,0,0|0,0,0]=2 774 B9R0.47 CCCOCC(=O)C(=O)O 3444cb5fc32d35bbafaf1d62d3b1c125 [0,2,0,0,0,0|1,0,0]=3 775 B9R0.47 CCCOCC(=O)C(C)C 507657e3c567336d1a3cd45ed59e26ae [0,2,0,0,0,0|1,0,1]=4 776 B9R0.47 CCCOCC(=O)N(C)C 60bb67d4b12ba83cc5c96b736e14dfde [0,2,0,0,0,0|2,0,0]=4 777 B9R0.47 CCCOCC(C)C(=O)C 0fb5e42fbfa851146ec077857c58aebf [0,2,0,0,0,0|1,0,1]=4 778 B9R0.47 CCOCCC(=O)N(C)C 1fa443e67dc6c2b4f6ab7a2e8b19188d [0,2,0,0,0,0|2,0,0]=4 779 B9R0.47 CCOCCN(C)C(=O)C c8d29d88905c5e96f60d3d2a3a37662d [0,2,0,0,0,0|2,0,0]=4 780 B9R0.47 CCOCNC(=O)C(C)C 21f2cc42b995e92398f90ebab0ddd36e [0,2,0,0,0,0|1,0,1]=4 781 B9R0.47 CCOCOC(C)C(=O)C e16dae6fcb5b5822fc0495911a40d476 [0,2,0,0,0,0|1,0,1]=4 782 B9R0.47 CN(C)C(=O)COCCF ff2c65ab249b8bbce410e9ac437ea019 [0,2,0,0,0,0|2,0,0]=4 783 B9R0.47 CN(C)C(=O)COCCS bf8750e4cbcdaeb5334b16ef1f5a749a [0,2,0,0,0,0|2,0,0]=4 784 B9R0.47 COCCNC(=O)C(=O)C f846514379f6b702aa68a0ceacb0fbaf [0,2,0,0,0,0|1,0,0]=3 785 B9R0.47 COCCNC(=O)C(=O)N 02ea1879b5090eba3eb98153a8a0bab1 [0,2,0,0,0,0|2,0,0]=4 786 B9R0.47 COCCOC(C)C(=O)C 24a90820a89d8134bef1dd36ccf03bab [0,2,0,0,0,0|1,0,1]=4 787 B9R0.47 COCOCC(=O)C(=O)C 6fb590035196a179937faad388dc9d16 [0,2,0,0,0,0|0,0,0]=2 788 B9R0.47 COCOCC(=O)C(=O)O a42fc4526b86b815783bc412827ed67f [0,2,0,0,0,0|1,0,0]=3 789 B9R0.47 COCOCC(=O)C(C)C 290c28c668560071f1675bdabb074833 [0,2,0,0,0,0|1,0,1]=4 790 B9R0.47 COCOCC(=O)N(C)C e768e1a20c3dc6484d2d24ffa5e965a1 [0,2,0,0,0,0|2,0,0]=4 791 B9R0.47 COCOCC(C)C(=O)C 5111f65d6aac961d14927b8b681677d9 [0,2,0,0,0,0|1,0,1]=4 792 B9R0.47 CSCCNC(=O)C(=O)C 2bbabd291a0fdfcfdf5281a9d3814734 [0,2,0,0,0,0|1,0,0]=3 793 B9R0.47 CSCCNC(=O)C(=O)N 26a21f63aa2ab3367d77d9f5bd3605aa [0,2,0,0,0,0|2,0,0]=4 794 B9R0.47 CSCCOC(C)C(=O)C b8905035aa4f1e09e6441486d0e4cab4 [0,2,0,0,0,0|1,0,1]=4 795 B9R0.47 CSCOCC(=O)N(C)C 62edd7c85dafe5713097af24db3df4d6 [0,2,0,0,0,0|2,0,0]=4 796 B9R0.47 CSCOCC(C)C(=O)C 81e7c36e12f3dfb3e636e112eb379682 [0,2,0,0,0,0|1,0,1]=4 797 B9R0.47 N#CCCNC(=O)C(=O)N 165cc8c7d4616dded773b09d53d60b86 [0,2,0,0,0,0|2,0,0]=4 798 B9R0.47 N#CCOCC(=O)C(=O)O 3b52539c8f78cfb15b37dc1f715657df [0,2,0,0,0,0|1,0,1]=4 799 B9R0.47 NC(=O)C(=O)NCCCCl 29267aec42cdc8865e1439c335efa388 [0,2,0,0,0,0|2,0,0]=4 800 B9R0.47 NC(=O)C(=O)NCCCO e5205e423f2535c87aaf80b677641fbd [0,2,0,0,0,0|2,0,0]=4 801 B9R0.47 NOCCNC(=O)C(=O)N e1a20a312e167a6d3e5b95c2dff2f0b1 [0,2,0,0,0,0|2,0,0]=4 802 B9R0.47 O=C(O)C(=O)CNCCBr f6651853e52af775211a93fc42b73664 [0,2,0,0,0,0|2,0,0]=4 803 B9R0.47 O=C(O)C(=O)CNCCF a5eef4c013481978b3e177e7376126bb [0,2,0,0,0,0|2,0,0]=4 804 B9R0.47 O=C(O)C(=O)CNCCI c428e759e713f445f24952fbd8bf0823 [0,2,0,0,0,0|2,0,0]=4 805 B9R0.47 O=C(O)C(=O)CNCCO fd1bcde29292cc872de9cc5361703dcf [0,2,0,0,0,0|2,0,0]=4 806 B9R0.47 O=C(O)C(=O)CNCCS b31fbb8366edfe8e4009c3f2bb659eed [0,2,0,0,0,0|2,0,0]=4 807 B9R0.47 O=C(O)C(=O)COCCS 217dd678c30b71c11c4400350b430f7f [0,2,0,0,0,0|1,0,0]=3 808 B9R0.51 CCOCC(C)(C)C(=O)C 70acf1879bfb83aa559f63dfe75c2ba1 [0,2,0,0,0,0|1,0,1]=4 809 B9R0.33 CCOC(C(=O)O)C(=O)O 02d8a94a2ef6c3e3f75e6dd0fd76f974 [0,2,0,0,0,0|1,0,1]=4 810 B9R0.39 C/C=C(\OC(C)C)/C(=O)O 41280ad438d668160e49a40f3c15dda1 [0,2,0,0,0,0|2,0,0]=4 811 B9R0.57 C=C(C)C(=O)NC(C)(C)C 4803c7ff77ded7ee83c882e8f83d5f6a [0,2,0,0,0,0|2,0,0]=4 812 B9R0.57 CC(=O)C(=O)NC(C)(C)C 484ffad398ba28cf8344e8215a4b21f9 [0,2,0,0,0,0|1,0,0]=3 813 B9R0.57 CC(C)(C)NC(=O)C(=O)N 26efb8b0e2d9682bd6d7fb9b04ed669b [0,2,0,0,0,0|2,0,0]=4 814 B7R1.18 CC(=O)N1CCC1 8143f596a7f046e54d5db8a61549ab26 [1,0,0,1,0,0|2,0,0]=4 815 B7R1.20 CC(=O)NC1CC1 d75fb765a64005f603eb0ff25694647c [1,0,0,1,0,0|2,0,0]=4 816 B9R1.7 CCOC1=CC(=O)CC1 48a7469ac82c40a0eca1f40d8071b6ec [0,0,0,1,0,1|1,0,0]=3 817 B9R1.7 CCOC1=CC(=O)NC1 d2d38753aca462f29461e24c45530e80 [0,0,0,1,0,1|2,0,0]=4 818 B9R1.7 CCOC1=COC(=O)C1 d9f8c57e71131e87788948985bfcb55f [0,0,0,1,0,1|2,0,0]=4 819 B9R1.7 CCOC1CCC(=O)C1 20f868b46959ea3477a4c5711e7faca7 [0,0,0,1,0,1|1,0,1]=4 820 B9R1.7 CCOc1cc(cs1)C f83ac452101022897e1afe49252bc0a6 [0,0,0,1,0,1|1,1,0]=4 821 B9R1.7 CCOc1n[nH]c(n1)C e582c3ab3b2c4e21630c152c48ee0416 [0,0,0,1,0,1|2,0,0]=4 822 B9R1.7 CCOc1nc(no1)C 30841a38dfa5e4b70f61d67e5a5cab64 [0,0,0,1,0,1|1,0,1]=4 823 B9R1.7 CCOc1nnc(s1)C ce729d6545307cb4d298355d3ed2ef4a [0,0,0,1,0,1|2,0,0]=4 824 B9R1.110 C=C(C)C(=O)N1CCC1 227bbdfdec6432a916fba8f13b2aff4a [0,1,0,1,0,0|2,0,0]=4 825 B9R1.110 CC(=O)C(=O)N1CCC1 662b3c75fc1a1268e8773cb4c5de0ecc [0,1,0,1,0,0|1,0,0]=3 826 B9R1.110 NC(=O)C(=O)N1CCC1 fa83fbb69005a0c5560f014547aee20a [0,1,0,1,0,0|2,0,0]=4 827 B9R1.33 CCOC1=CCCC1=O 9fef6e163e059a9e927a72209e5c8e3f [0,1,0,1,0,0|1,0,0]=3 828 B9R1.33 CCOC1CCCC1=O 19fd59f8b378305519536cfc5c950157 [0,1,0,1,0,0|1,0,1]=4 829 B9R1.33 CCOC1CCNC1=O 8fdacff95d4ce2d1c3d495fa66f75dd5 [0,1,0,1,0,0|1,0,1]=4 830 B9R1.33 CCO[C@@H]1CCNC1=O d615de1523fb9db14752de0db1c501b4 [0,1,0,1,0,0|1,0,1]=4 831 B9R1.33 CCO[C@H]1CCNC1=O 5eaae9c583183b85f65e479b22e5ff87 [0,1,0,1,0,0|1,0,1]=4 832 B9R1.33 CCOc1cn[nH]c1C 85aa6e205724af96749f7e4ea482d70d [0,1,0,1,0,0|2,0,0]=4 833 B9R1.33 CCOc1n[nH]cc1C 740752baacc68eb9998edab2ad4a6587 [0,1,0,1,0,0|2,0,0]=4 834 B9R1.33 O=C1CCC=C1OCF b22058576bb364e41f2e3ffa14cab4cd [0,1,0,1,0,0|2,0,0]=4 835 B9R1.6 CC(=O)N1CCCOC1 736ab4cc5910e1cdbf1f270a5cd9760a [0,1,0,1,0,0|2,0,0]=4 836 B9R1.39 CCCOC1CCC1=O 6747d0d4bf3ca4d2474fd2057207f365 [0,1,0,1,0,0|1,0,1]=4 837 B9R1.39 CCOCC1CCC1=O a06c32f97be82794ffc1ab53b750de7f [0,1,0,1,0,0|1,0,1]=4 838 B9R1.39 COCOC1CCC1=O cb47f60d015388daefcfa2b6dd0ad8dd [0,1,0,1,0,0|1,0,1]=4 839 B9R1.39 CSCOC1CCC1=O 7048061bc11cd0d22a524721b970ff41 [0,1,0,1,0,0|1,0,1]=4 840 B9R1.39 O=C1CCC1OCCF dd8162d9e9efdcef395b302d66117a1f [0,1,0,1,0,0|1,0,1]=4 841 B9R1.39 O=C1CCC1OCCS 623af281b20256d582f920eb3b4a5f07 [0,1,0,1,0,0|1,0,1]=4 842 B9R1.100 CCOCC(=O)C1CC1 b9194438dffcb8b1a607cfe8f059893d [0,1,0,1,0,0|1,0,1]=4 843 B9R1.112 C=C(C)C(=O)NC1CC1 c911c1432d0549e30c351e198057c7c8 [0,1,0,1,0,0|2,0,0]=4 844 B9R1.112 CC(=O)C(=O)NC1CC1 8c727b8e9becb04e21c45432c800cd9b [0,1,0,1,0,0|1,0,0]=3 845 B9R1.112 CC(=O)C(C)OC1CC1 30ddb4c797d348d98c57f0ee09328957 [0,1,0,1,0,0|1,0,1]=4 846 B9R1.112 NC(=O)C(=O)NC1CC1 caae8ca483668c34d1ac66b886547022 [0,1,0,1,0,0|2,0,0]=4 847 B9R1.67 CC(C)OC1CCC1=O 11e32319af5fad4b832da68a85d1c646 [0,1,0,1,0,0|1,0,1]=4 848 B9R0.48 C/C=C/C(=O)NCC(=O)C 4bd41d84ba8243cdd2ab45f2a8dbcd77 [0,0,0,0,0,2|1,0,1]=4 849 B9R0.48 C=C(C)CNC(=O)CCC 8798d18f5f118779f2ebf2a6aa1a07ee [0,0,0,0,0,2|2,0,0]=4 850 B9R0.48 CC#CC(=O)NCC(=O)C 8465ef58e9a985ae13b543ed1f33d421 [0,0,0,0,0,2|1,0,1]=4 851 B9R0.48 CC(=O)CNC(=O)CCF d107193ce657c88df2652ef9baeb288c [0,0,0,0,0,2|2,0,0]=4 852 B9R0.48 CC(=O)CNC(=O)CCO c299cd7b6e99612f6d546a77c82b470b [0,0,0,0,0,2|2,0,0]=4 853 B9R0.48 CC(=O)CNC(=O)CCS 57b6b0d2d091bf19026d70091c345536 [0,0,0,0,0,2|2,0,0]=4 854 B9R0.48 CCCC(=O)NCC(=O)C 2da9b0181737be2a6f0a306a2b6bdda4 [0,0,0,0,0,2|1,0,0]=3 855 B9R0.48 CCCC(=O)NCC(=O)N 5610a82535abef121600219256c9e7bf [0,0,0,0,0,2|2,0,0]=4 856 B9R0.48 CCNC(=O)CNC(=O)C 57792c8153adb6e80259374ddd295748 [0,0,0,0,0,2|1,0,0]=3 857 B9R0.48 CCOC(=O)CNC(=O)C eefea8b66cbae53eb0645dbc6dff51ca [0,0,0,0,0,2|0,0,0]=2 858 B9R0.48 CCOC(=O)CNC(C)C 80d7999aed865ea280b457aaf3d32f53 [0,0,0,0,0,2|1,0,1]=4 859 B9R0.48 CCOC(=O)COC(C)C 228e90334048907c42f17a3b8b5d3d98 [0,0,0,0,0,2|1,0,1]=4 860 B9R0.48 CCOC(C)CNC(=O)C 217fca33332c664f1a507b96c62f402a [0,0,0,0,0,2|1,0,1]=4 861 B9R0.48 CCOC(C)COC(=O)C 9e93393c063eba810753fb5603d4fc7e [0,0,0,0,0,2|1,0,1]=4 862 B9R0.48 COCC(=O)NCC(=O)C 9366c1fb376d52d38cd3913860d123e1 [0,0,0,0,0,2|2,0,0]=4 863 B9R0.48 CSCC(=O)NCC(=O)C 7b8c1ea6125df084feb9a28e679bf8c5 [0,0,0,0,0,2|2,0,0]=4