0 B7R0.5 CC(C)C(C)OCF 80276d10e0b66e37d961ea14d47b0969 [0,0,0,0,0,0|3,0,1]=4 1 B7R0.5 CC(C)[C@@H](C)OCF 424651f56e9c7a59f079f55fb4486da5 [0,0,0,0,0,0|3,0,1]=4 2 B7R0.5 CC(C)[C@H](C)OCF 6f8956e151353b4df44e100c25e804da [0,0,0,0,0,0|3,0,1]=4 3 B7R0.5 CC(O)C(=O)NC#N 01e60f22707e7d0fb66c0132404764a4 [0,0,0,0,0,0|2,1,1]=4 4 B7R0.5 CC(S)C(=O)NC#N 2287f22575cb61afc24dc510a74ce003 [0,0,0,0,0,0|2,0,1]=3 5 B7R0.5 CC(S)C(C)OCF c7099e5b1e3a4f16ef567413c6077b3f [0,0,0,0,0,0|2,0,1]=3 6 B7R0.5 CCCN(C)C(C)C 3141e8fbdc6c20712cffde27068901ab [0,0,0,0,0,0|4,0,0]=4 7 B7R0.5 CCNC(C)C(C)C 6ff6c70a41ff0de8b891e50966ef9339 [0,0,0,0,0,0|3,0,1]=4 8 B7R0.5 CCNC(C)C(C)O 392d96cf423ba6d8f5882a82ddace883 [0,0,0,0,0,0|2,1,1]=4 9 B7R0.5 CCN[C@@H](C)C(C)C 54d4aa17c71caa18f971b7cc220c5c61 [0,0,0,0,0,0|3,0,1]=4 10 B7R0.5 CCN[C@H](C)C(C)C 26ce300d7da809c460e59e21a4343853 [0,0,0,0,0,0|3,0,1]=4 11 B7R0.5 CCOC(C)C(=O)C 04432572fe22b740e86ca5259d0a3bbf [0,0,0,0,0,0|1,1,2]=4 12 B7R0.5 CCOC(C)C(C)C bb142acd6bd0d3536405c513b06eea53 [0,0,0,0,0,0|2,0,1]=3 13 B7R0.5 CCOC(C)C(C)S e76d621ef1113c6e6d1e86237ce3aa29 [0,0,0,0,0,0|1,0,1]=2 14 B7R0.5 CCOC(C)C(F)F 6f25fcdcd396a613a3486f9e7e152366 [0,0,0,0,0,0|3,0,1]=4 15 B7R0.5 CCO[C@@H](C)C(C)C 730945e6bcfbc2b11622279903eef1de [0,0,0,0,0,0|2,0,1]=3 16 B7R0.5 CCO[C@H](C)C(C)C 443e2922f1cca86413940e6d728bd16d [0,0,0,0,0,0|2,0,1]=3 17 B7R0.5 C[C@@H](O)C(=O)NC#N 76e3f6ef549e300db1d42264e90cbc8a [0,0,0,0,0,0|2,1,1]=4 18 B7R0.5 C[C@H](O)C(=O)NC#N 014f599d32718a67561cd4fc505950a1 [0,0,0,0,0,0|2,1,1]=4 19 B6R0.1 C=C(C=O)OCC 64c18fcc04a22b045ebc35a9eb4d4363 [1,0,0,0,0,0|1,1,1]=4 20 B6R0.1 CC(CS)OCF 3aa76e588b94fa8c0abffd230ad3c80a [1,0,0,0,0,0|2,0,1]=4 21 B6R0.1 CCC(=O)NC#N 73537d427a9f3c7ed521fc0320b94de6 [1,0,0,0,0,0|2,0,1]=4 22 B6R0.1 CCC(C)OCF b1f4704464bbfd0265fa8845c1d734e2 [1,0,0,0,0,0|2,0,1]=4 23 B6R0.1 CCCN(C)CC 063caa89be0fdd356f6455d1751457ac [1,0,0,0,0,0|3,0,0]=4 24 B6R0.1 CCNC(C)CC 396d13a5c682c09283d5fcc86ff55a86 [1,0,0,0,0,0|2,0,1]=4 25 B6R0.1 CCN[C@@H](C)CC 8864275bc593322b499f8ffa253a175e [1,0,0,0,0,0|2,0,1]=4 26 B6R0.1 CCN[C@H](C)CC 2ca98ce961a0f1b51c5b9bb18e4cf730 [1,0,0,0,0,0|2,0,1]=4 27 B6R0.1 CCOC(C)CC 56a4de537882754d70714e008cda003f [1,0,0,0,0,0|1,0,1]=3 28 B6R0.1 CCOC(C)CF 65f06da7a639a9baf133860813b79ea3 [1,0,0,0,0,0|2,0,1]=4 29 B6R0.1 CCOC(C)CS eb3404d1a98d8fb6f364ecf6e98ac96e [1,0,0,0,0,0|1,0,1]=3 30 B6R0.1 CCO[C@@H](C)CC 1c34d8425f39e9be808db66bb381a14c [1,0,0,0,0,0|1,0,1]=3 31 B6R0.1 CCO[C@H](C)CC 08a1e8fcc5a32008da3650c30e1472a7 [1,0,0,0,0,0|1,0,1]=3 32 B6R0.1 CCO[C@H](C)CS 7d1ac13ead965fd5112ee05598239ca1 [1,0,0,0,0,0|1,0,1]=3 33 B6R0.1 CC[C@@H](C)OCF f4fa7810a1d84f0f9cde4476fd8e3f60 [1,0,0,0,0,0|2,0,1]=4 34 B6R0.1 CC[C@H](C)OCF 7272126d7b60c9c2f9744715a5cbda1c [1,0,0,0,0,0|2,0,1]=4 35 B6R0.1 C[C@H](CS)OCF db899319a56836cd7d73603a0da16225 [1,0,0,0,0,0|2,0,1]=4 36 B6R0.3 CCN(C)C(C)C 515b7690a64e89945d29d623804849df [1,0,0,0,0,0|3,0,0]=4 37 B6R0.4 C=C(C)COCC 6d74b37620be58d1bea5b1911ab2feb1 [1,0,0,0,0,0|1,0,2]=4 38 B6R0.4 CC(C)COCF b089fa536e65fca20df885ea5dacd9f2 [1,0,0,0,0,0|2,0,1]=4 39 B6R0.4 CC(F)COCF 184378aa5cda319f35eff5a374bd7b36 [1,0,0,0,0,0|2,0,1]=4 40 B6R0.4 CC(S)COCF f0912ffde29b0e269706eb1406d36aad [1,0,0,0,0,0|1,0,1]=3 41 B6R0.4 CCCNC(C)C 4cc952815a9d9d6816d0fb90ac14a178 [1,0,0,0,0,0|3,0,0]=4 42 B6R0.4 CCCOC(C)C 9e8901dd10ed96aa593b6a5525365a05 [1,0,0,0,0,0|3,0,0]=4 43 B6R0.4 CCNCC(C)C 7e39c7f79a4a74429f1ae559b7eef67a [1,0,0,0,0,0|2,0,1]=4 44 B6R0.4 CCNCC(C)O 23f38b24d1514a42c01693786c45a1e6 [1,0,0,0,0,0|1,1,1]=4 45 B6R0.4 CCNC[C@@H](C)O 72a96453a23c9791f4ab7ea0647d5c76 [1,0,0,0,0,0|1,1,1]=4 46 B6R0.4 CCNC[C@H](C)O 8a893664491d34251811ef315cfcf0f6 [1,0,0,0,0,0|1,1,1]=4 47 B6R0.4 CCOCC(=O)C 810b545b1a0c4af358d406c93928b4de [1,0,0,0,0,0|0,1,2]=4 48 B6R0.4 CCOCC(C)C 2ccacce0745bb2fe2e67c6f95de49a4c [1,0,0,0,0,0|1,0,1]=3 49 B6R0.4 CCOCC(C)F 44ebcc9497b122666f7d5bc3ab3ef961 [1,0,0,0,0,0|1,0,1]=3 50 B6R0.4 CCOCC(C)S 1b6e2c538b0c5040f1c381953bd73f14 [1,0,0,0,0,0|0,0,1]=2 51 B6R0.4 CCOCC(F)F 7bbeb9fafaa3b77bf5c2f88368607c83 [1,0,0,0,0,0|2,0,1]=4 52 B6R0.4 CCOC[C@@H](C)F 2d70ac2d3ad9d2770f50309e83cd9521 [1,0,0,0,0,0|1,0,1]=3 53 B6R0.4 CCOC[C@H](C)F b1411946299fa054261b7f4dedb203a5 [1,0,0,0,0,0|1,0,1]=3 54 B6R0.4 C[C@@H](F)COCF 2fceb23c1851fd728d248a746424d5d7 [1,0,0,0,0,0|2,0,1]=4 55 B6R0.4 C[C@H](F)COCF e3a81502e05212c96edfcd9edba6a43c [1,0,0,0,0,0|2,0,1]=4 56 B8R0.2 C=C(C)C(=O)N(C)CC 6ad58cb6364f07a649e141535260901d [0,1,0,0,0,0|2,0,1]=4 57 B8R0.2 CCN(C)C(=O)C(=O)C f60b3512bf731817ed8f594771284a74 [0,1,0,0,0,0|1,1,1]=4 58 B8R0.2 CCN(C)C(=O)C(C)F 19b9ff8d46076997b028bc3c05129e24 [0,1,0,0,0,0|2,0,0]=3 59 B8R0.2 CCN(C)C(=O)C(C)O a5352a247e4fbdbde43951bdd76212cf [0,1,0,0,0,0|1,1,0]=3 60 B8R0.2 CCN(C)C(=O)C(C)S 90f65a1dd234927c177aa83dd88742df [0,1,0,0,0,0|1,0,0]=2 61 B8R0.2 CCN(C)C(=O)C(F)F 173b22ed50254cc99077e9faadbe8b05 [0,1,0,0,0,0|3,0,0]=4 62 B8R0.2 CCN(C)C(=O)C(O)O e997434c90008a11252134a14784ebce [0,1,0,0,0,0|2,1,0]=4 63 B8R0.2 CCN(C)C(=O)[C@@H](C)F 98c85f2c98da43a1b0d0fc26fa39c6bb [0,1,0,0,0,0|2,0,0]=3 64 B8R0.2 CCN(C)C(=O)[C@@H](C)O c93f85b1b0b9a2ae0efa6c73e0a102c2 [0,1,0,0,0,0|1,1,0]=3 65 B8R0.2 CCN(C)C(=O)[C@H](C)F aea23cf9051deae31a359b32bf8bf1d7 [0,1,0,0,0,0|2,0,0]=3 66 B8R0.2 CCN(C)C(=O)[C@H](C)O fffa58851af97e9d3a93b166b97ca289 [0,1,0,0,0,0|1,1,0]=3 67 B8R0.3 C=C[C@@H](C)[C@@H](C)OCC 7174985858b6754d29082e0523030593 [0,1,0,0,0,0|2,0,1]=4 68 B8R0.3 C=C[C@@H](C)[C@H](C)OCC 1539f179cedf60643533cb2e64df525b [0,1,0,0,0,0|2,0,1]=4 69 B8R0.3 C=C[C@H](C)[C@@H](C)OCC d464e2ddb3652873a2501204a8efab8b [0,1,0,0,0,0|2,0,1]=4 70 B8R0.3 C=C[C@H](C)[C@H](C)OCC 0a872f2d6d98f6438e7af34bb761da4a [0,1,0,0,0,0|2,0,1]=4 71 B8R0.3 CCCC(=O)N(C)CC d5f34bd9db3ccc82fc95365990f29579 [0,1,0,0,0,0|3,0,0]=4 72 B8R0.3 CCOC(C)C(C)CC bb6404bf405bb18f7200bca5bcafe98a [0,1,0,0,0,0|2,0,1]=4 73 B8R0.3 CCOC(C)C(C)OC 9c4f80364c61bd6b6d6dccb09e64f357 [0,1,0,0,0,0|1,1,1]=4 74 B8R0.3 CC[C@H](S)C(=O)NC#N 05b0a612cfa626a0637f72d66ea12862 [0,1,0,0,0,0|2,0,1]=4 75 B8R0.3 CSC(C)C(=O)NC#N 5bf27df404c10183f2a473362b66baf4 [0,1,0,0,0,0|2,0,1]=4 76 B8R0.8 C#CCNC(=O)C(C)F 3bd6b3d008f74a7b92576fa8d3ee07f0 [0,1,0,0,0,0|2,0,1]=4 77 B8R0.8 C#CCNC(=O)C(C)S 463f09ba8cd194865aee9042dbab29f6 [0,1,0,0,0,0|1,0,1]=3 78 B8R0.8 C#CCNC(=O)[C@@H](C)F 6870a795dfc6747a5a33c9070084e8b8 [0,1,0,0,0,0|2,0,1]=4 79 B8R0.8 C#CCNC(=O)[C@H](C)F 5009ea4b6fd85bf1f1d131d8b9bd14f1 [0,1,0,0,0,0|2,0,1]=4 80 B8R0.8 C#CCOC(C)C(C)S 907b7378c6583cb1df5aebddcbd6efb5 [0,1,0,0,0,0|1,0,2]=4 81 B8R0.8 C=C(C)C(=O)NCCBr 61120e26dbeb4e895f737bdf6d4436bb [0,1,0,0,0,0|2,0,1]=4 82 B8R0.8 C=C(C)C(=O)NCCC 2afd5e95dd9734696b78b1287c8e40c3 [0,1,0,0,0,0|2,0,1]=4 83 B8R0.8 C=C(C)C(=O)NCCF 72013eef2585a0c39d2ebbaa6d0c72b9 [0,1,0,0,0,0|2,0,1]=4 84 B8R0.8 C=C(C)C(=O)NCCI cb5688c5d662b39b7123ac0fec17c67d [0,1,0,0,0,0|2,0,1]=4 85 B8R0.8 C=C(C)C(=O)NCCO 5937f095d3991cd8f739a66f2a9c04e9 [0,1,0,0,0,0|2,0,1]=4 86 B8R0.8 C=C(C)C(=O)NCCS 338ac740b4761d63bc015d9cb77d6c81 [0,1,0,0,0,0|2,0,1]=4 87 B8R0.8 C=CCOC(C)C(C)S 751a6cfbcd5012c9be009f27fc1808ca [0,1,0,0,0,0|1,0,2]=4 88 B8R0.8 CC(=O)C(=O)NCCBr b951238298d8a5693ac2dc119d2a6125 [0,1,0,0,0,0|1,1,1]=4 89 B8R0.8 CC(=O)C(=O)NCCF f10a316fe81eca6c402987edef00d0b4 [0,1,0,0,0,0|1,1,1]=4 90 B8R0.8 CC(=O)C(=O)NCCI 49a7fa58657568758ac0aac23ff45607 [0,1,0,0,0,0|1,1,1]=4 91 B8R0.8 CC(=O)C(=O)NCCO 68aa5fa37dd1955ac40b92420671c9c7 [0,1,0,0,0,0|1,1,1]=4 92 B8R0.8 CC(=O)C(=O)NCCS 0e86c38b29bd2555c9be005ee65dd41e [0,1,0,0,0,0|1,1,1]=4 93 B8R0.8 CC(C)C(C)OCCF aef6329c2514e1f7d1f35c650ce41f30 [0,1,0,0,0,0|2,0,1]=4 94 B8R0.8 CC(C)C(C)OCCS fbc2dd63702c9f86e1d48d918357ddc9 [0,1,0,0,0,0|2,0,1]=4 95 B8R0.8 CC(C)[C@@H](C)OCCF b8b398f5963c29dec612780eaf598104 [0,1,0,0,0,0|2,0,1]=4 96 B8R0.8 CC(C)[C@@H](C)OCCS 2f03599c9706c072c081b87656bf78df [0,1,0,0,0,0|2,0,1]=4 97 B8R0.8 CC(C)[C@H](C)OCCF 977ea77aa40f6bf381c111177dcefc23 [0,1,0,0,0,0|2,0,1]=4 98 B8R0.8 CC(C)[C@H](C)OCCS af428ac45dba53ed497056ececced485 [0,1,0,0,0,0|2,0,1]=4 99 B8R0.8 CC(F)C(=O)NCCI 8a0369cfed1018ee828f00a2e04759cb [0,1,0,0,0,0|2,0,0]=3 100 B8R0.8 CC(F)C(=O)NCCO 5714b08de3ce4f90a90b82e533206732 [0,1,0,0,0,0|2,0,0]=3 101 B8R0.8 CC(F)C(=O)NCCS b39d80e8f07ef9221c0aa27f4f78917f [0,1,0,0,0,0|2,0,0]=3 102 B8R0.8 CC(O)C(=O)NCCF 91832489eb3405f9b8e768fbbfba918a [0,1,0,0,0,0|1,1,0]=3 103 B8R0.8 CC(O)C(=O)NCCI 5facf5561b562fe9df389faa15b577b9 [0,1,0,0,0,0|1,1,0]=3 104 B8R0.8 CC(O)C(=O)NCCO 6eae43744294511500b3285e9523f49e [0,1,0,0,0,0|1,1,0]=3 105 B8R0.8 CC(O)C(=O)NCCS e3260ab4fe247ca165e429cfa29782cf [0,1,0,0,0,0|1,1,0]=3 106 B8R0.8 CC(S)C(=O)NCCBr 126071a5e51b1b4d749efb8373eb23f1 [0,1,0,0,0,0|1,0,0]=2 107 B8R0.8 CC(S)C(=O)NCCF bd1e9d5683d56052e1e5cebd3f28f61a [0,1,0,0,0,0|1,0,0]=2 108 B8R0.8 CC(S)C(=O)NCCI d038059eeddb4ba2e800fd8c5ef18be5 [0,1,0,0,0,0|1,0,0]=2 109 B8R0.8 CC(S)C(=O)NCCO 3004d33b884c289d9839660aa24797db [0,1,0,0,0,0|1,0,0]=2 110 B8R0.8 CC(S)C(=O)NCCS 94de661ebd08e98861fe24c1031e17a2 [0,1,0,0,0,0|1,0,0]=2 111 B8R0.8 CC(S)C(C)OCC#N 107f1d07c7a025df8484424d0ac54ef2 [0,1,0,0,0,0|1,0,2]=4 112 B8R0.8 CC(S)C(C)OCC=O be24c910a021f9f13deb5a032f14acad [0,1,0,0,0,0|1,0,2]=4 113 B8R0.8 CC(S)C(C)OCCF 1a82d33a967486f6dabbc2bf69391b14 [0,1,0,0,0,0|1,0,1]=3 114 B8R0.8 CC(S)C(C)OCCS 58740347ee0e8989e94812a71b532a6f [0,1,0,0,0,0|1,0,1]=3 115 B8R0.8 CCCNC(=O)C(=O)C 6616f52ba2db0bc51edea61ef0a86e36 [0,1,0,0,0,0|1,1,1]=4 116 B8R0.8 CCCNC(=O)C(C)F 26c3e292e8bf81a2774c215b87fe205c [0,1,0,0,0,0|2,0,0]=3 117 B8R0.8 CCCNC(=O)C(C)O 1c4275cc840c120b08a43a51d620d9a2 [0,1,0,0,0,0|1,1,0]=3 118 B8R0.8 CCCNC(=O)C(C)S 14ef60dcd7bf53e38f1b48b3ac0916eb [0,1,0,0,0,0|1,0,0]=2 119 B8R0.8 CCCNC(=O)C(F)F 071dc3f73dcbda1779f15b4fb1ae3271 [0,1,0,0,0,0|3,0,0]=4 120 B8R0.8 CCCNC(=O)C(O)O 1935daac569a1d73c1bfec746173b734 [0,1,0,0,0,0|2,1,0]=4 121 B8R0.8 CCCNC(=O)[C@@H](C)F 56745f27d02daa9bdc007207f8e02ad7 [0,1,0,0,0,0|2,0,0]=3 122 B8R0.8 CCCNC(=O)[C@@H](C)O dd45fdcbcb7fa52143ea0a380ce96207 [0,1,0,0,0,0|1,1,0]=3 123 B8R0.8 CCCNC(=O)[C@H](C)F a5efcba7d8423bf0c2ba50ff959f1165 [0,1,0,0,0,0|2,0,0]=3 124 B8R0.8 CCCNC(=O)[C@H](C)O b394796d74a22374522cf1e72768ff60 [0,1,0,0,0,0|1,1,0]=3 125 B8R0.8 CCCOC(C)C(C)C 86f84b43e39046a302b7ae55be48399d [0,1,0,0,0,0|2,0,1]=4 126 B8R0.8 CCCOC(C)C(C)S 2259d80f2d369dc01415bcec83767bc2 [0,1,0,0,0,0|1,0,1]=3 127 B8R0.8 CCCO[C@@H](C)C(C)C 2f41c5c2bb860ee77833a11f23aa4350 [0,1,0,0,0,0|2,0,1]=4 128 B8R0.8 CCCO[C@H](C)C(C)C 90a86ce0fea165a8278a7b9623fa00c4 [0,1,0,0,0,0|2,0,1]=4 129 B8R0.8 CCNCC(=O)N(C)C cbb9e14980a25920980b7a9bd2e1ff0d [0,1,0,0,0,0|3,0,0]=4 130 B8R0.8 CCOCC(=O)N(C)C d0c210c00ef540f269d37621e03eeac7 [0,1,0,0,0,0|2,0,0]=3 131 B8R0.8 CCOCC(C)C(C)C cc9eb3a68371ce091c3a8ee0b2e15210 [0,1,0,0,0,0|2,0,1]=4 132 B8R0.8 CN(C)C(=O)COCF 2eb473ab3b971690a1d108e40a5614a8 [0,1,0,0,0,0|3,0,0]=4 133 B8R0.8 COCOC(C)C(C)C 21c22708868643f5c58d9c8d9e4d5112 [0,1,0,0,0,0|2,0,1]=4 134 B8R0.8 COCOC(C)C(C)S 07c83a99f164a6ba91e29c6a58d6c482 [0,1,0,0,0,0|1,0,1]=3 135 B8R0.8 COCO[C@@H](C)C(C)C 43cf5a88e304b0d0b2e116e908ba6767 [0,1,0,0,0,0|2,0,1]=4 136 B8R0.8 COCO[C@H](C)C(C)C 518108af54305583edbdcb71272e465c [0,1,0,0,0,0|2,0,1]=4 137 B8R0.8 CSCOC(C)C(C)C d3d5c1c5fc376ef75120aa6a80e9e5e0 [0,1,0,0,0,0|2,0,1]=4 138 B8R0.8 CSCOC(C)C(C)S 1b3c066b1800ad8e63563bca2a55b140 [0,1,0,0,0,0|1,0,1]=3 139 B8R0.8 CSCO[C@@H](C)C(C)C 1f6c87538b58f348bd73f4584a70b0aa [0,1,0,0,0,0|2,0,1]=4 140 B8R0.8 CSCO[C@H](C)C(C)C e348fa0294055e95f739da0de03754bd [0,1,0,0,0,0|2,0,1]=4 141 B8R0.8 C[C@@H](F)C(=O)NCCI 3800b05361fad7ddfa1629fce9d20fa0 [0,1,0,0,0,0|2,0,0]=3 142 B8R0.8 C[C@@H](F)C(=O)NCCO d7174fc5c801463ae00a56232eff941a [0,1,0,0,0,0|2,0,0]=3 143 B8R0.8 C[C@@H](F)C(=O)NCCS 749fd7706d0ec6e0daade6c7e1cd3708 [0,1,0,0,0,0|2,0,0]=3 144 B8R0.8 C[C@@H](O)C(=O)NCCF a16414928601b2d6fce8684097146547 [0,1,0,0,0,0|1,1,0]=3 145 B8R0.8 C[C@@H](O)C(=O)NCCI 12bd14996ece1fc55d11b04df696dca9 [0,1,0,0,0,0|1,1,0]=3 146 B8R0.8 C[C@@H](O)C(=O)NCCO 35de042b0d140c54bda91feb1cdb127d [0,1,0,0,0,0|1,1,0]=3 147 B8R0.8 C[C@@H](O)C(=O)NCCS 4ea55b84babe82864696fb723221b8ee [0,1,0,0,0,0|1,1,0]=3 148 B8R0.8 C[C@H](F)C(=O)NCCI 5f656c51ae2dfaf00b4ef9a34c71ecd6 [0,1,0,0,0,0|2,0,0]=3 149 B8R0.8 C[C@H](F)C(=O)NCCO 3757477e5dbeaeb7bd7368631f26cff2 [0,1,0,0,0,0|2,0,0]=3 150 B8R0.8 C[C@H](F)C(=O)NCCS 768c95e6a0f1ac131a654b3bd54857ca [0,1,0,0,0,0|2,0,0]=3 151 B8R0.8 C[C@H](O)C(=O)NCCF 9cb153874861efa121a2a3efd64f7b30 [0,1,0,0,0,0|1,1,0]=3 152 B8R0.8 C[C@H](O)C(=O)NCCI fb8bee75ecdef23926c8dd96e5a8446c [0,1,0,0,0,0|1,1,0]=3 153 B8R0.8 C[C@H](O)C(=O)NCCO a8a620bab8ff63cc8d6c82762d26d446 [0,1,0,0,0,0|1,1,0]=3 154 B8R0.8 C[C@H](O)C(=O)NCCS 473cfe5bd499406c2c4ec28ce5acf099 [0,1,0,0,0,0|1,1,0]=3 155 B8R0.8 O=C(NCCBr)C(F)F ff9f837f83676e6e519206328d3862d1 [0,1,0,0,0,0|3,0,0]=4 156 B8R0.8 O=C(NCCBr)C(O)O 73e8ae7fdf2a88b7b30084be9bc85132 [0,1,0,0,0,0|2,1,0]=4 157 B8R0.8 O=C(NCCF)C(F)F e1dcbc3162ad69d1b3fe1f582125b4e9 [0,1,0,0,0,0|3,0,0]=4 158 B8R0.8 O=C(NCCF)C(O)O 89e071c32fd10ed34517a44e130ca45c [0,1,0,0,0,0|2,1,0]=4 159 B8R0.8 O=C(NCCI)C(F)F c160d9ba6976df8ea765f151f4eadc2e [0,1,0,0,0,0|3,0,0]=4 160 B8R0.8 O=C(NCCI)C(O)O fc84fbc71836adb80db7b674e8b28a10 [0,1,0,0,0,0|2,1,0]=4 161 B8R0.8 O=C(NCCO)C(F)F 92d20ef55af2732384d70ce223367ad5 [0,1,0,0,0,0|3,0,0]=4 162 B8R0.8 O=C(NCCO)C(O)O 98affbb0c0ffe6bee8332b346954c773 [0,1,0,0,0,0|2,1,0]=4 163 B8R0.8 O=C(NCCS)C(F)F 132bc5b3ebf4157b66fd24b615b8dc0c [0,1,0,0,0,0|3,0,0]=4 164 B8R0.8 O=C(NCCS)C(O)O 4438ec682b3eb2e23847b4b4cbb5ce72 [0,1,0,0,0,0|2,1,0]=4 165 B8R0.15 C#CC(OCC)C(C)C 6a8af3f4cdd0bc066a863986d074c26b [0,1,0,0,0,0|2,0,1]=4 166 B8R0.15 C=CC(OCC)C(C)C 27434b9578280007aa064ab6388289aa [0,1,0,0,0,0|2,0,1]=4 167 B8R0.15 CCCN(C=O)C(C)C 9cecb4b84cf566581125ea24b6665c66 [0,1,0,0,0,0|3,0,0]=4 168 B8R0.15 CCOC(C#N)C(C)C a046b093d6b831211c4840ca5f8a2d99 [0,1,0,0,0,0|2,0,1]=4 169 B8R0.15 CCOC(CC)C(C)C 18c5bc69d3aa8233a4f89cf882d20a96 [0,1,0,0,0,0|2,0,1]=4 170 B8R0.23 CC(C)OC(C)C(C)C f910c97d1e3fc31ceadbec63396d96d4 [0,1,0,0,0,0|2,0,1]=4 171 B8R0.23 CC(C)OC(C)C(C)S c5a4043ec4c85dd966d520e3bdc0abba [0,1,0,0,0,0|1,0,1]=3 172 B8R0.23 CC(C)O[C@@H](C)C(C)C 444255d792edbc9dc89a2ace48652e7b [0,1,0,0,0,0|2,0,1]=4 173 B8R0.23 CC(C)O[C@H](C)C(C)C ee15d6361bb13960f2a62772caaee08e [0,1,0,0,0,0|2,0,1]=4 174 B8R1.13 CCOC1COC1C 292e3380dc65ec96d8cfb63b3a1d4796 [0,0,0,1,0,0|1,1,1]=4 175 B8R1.37 CCOC(C)C1CC1 526fc3f0c823fc41b9199d1aa6541386 [0,0,0,1,0,0|2,0,1]=4 176 B8R1.37 CCO[C@@H](C)C1CC1 b9ad01da095d4dd4d383aa1d3c7eee6a [0,0,0,1,0,0|2,0,1]=4 177 B8R1.37 CCO[C@H](C)C1CC1 9827b3948c8d24070570177d9e2b7efe [0,0,0,1,0,0|2,0,1]=4 178 B8R0.5 CCCC(=S)OC(C)C 79ff90d7e7d68c5664ea5acd6b8154a5 [0,0,0,0,0,1|2,1,0]=4 179 B8R0.5 CCOC(C)CC(C)C 30e2f8e558cfdda4b507d2297dd2dc70 [0,0,0,0,0,1|2,0,1]=4 180 B8R0.5 CCO[C@@H](C)CC(C)C 1e2bdc5c56411fd3cd17ac1c2858063c [0,0,0,0,0,1|2,0,1]=4 181 B8R0.5 CCO[C@H](C)CC(C)C 914881db7ee4a9dab17d292ad412afd8 [0,0,0,0,0,1|2,0,1]=4 182 B5R0.1 CC(C)OCF fea4e57e7bb4fa505ef4ea18bd2ede99 [2,0,0,0,0,0|2,0,0]=4 183 B5R0.1 CCOC(C)C e40579e838af0384b34ea3d488054b89 [2,0,0,0,0,0|1,0,0]=3 184 B5R0.2 CCCNCC 5224ca4332fe9f083a57aa92376290e9 [2,0,0,0,0,0|1,0,1]=4 185 B5R0.2 CCCOCC a0c48a14a19cfc2180230756acaf40ab [2,0,0,0,0,0|0,0,1]=3 186 B5R0.2 CCCOCF 3a09ada643594a0865eabd839c992d22 [2,0,0,0,0,0|1,0,1]=4 187 B5R0.2 CCNCCS e4a2a02ec4ecae7b609beae190ea9ee1 [2,0,0,0,0,0|1,0,1]=4 188 B5R0.2 CCOCCF e5d78433fc996ba51bd8a100b7998155 [2,0,0,0,0,0|1,0,1]=4 189 B5R0.2 CCOCCS 56f6087ed887f762fd2bdcb15935222f [2,0,0,0,0,0|0,0,1]=3 190 B5R0.2 CCOCOC 6cd815448945789916c4199ac0685ffd [2,0,0,0,0,0|1,0,1]=4 191 B5R0.2 FCOCCS 3aade357eac7f8414966cbb46c36a193 [2,0,0,0,0,0|1,0,1]=4 192 B5R0.3 CCN(C)CC ab5b03184b17818ff0d4295949ca4956 [2,0,0,0,0,0|2,0,0]=4 193 B7R0.2 CC(C)OC(C)CS f89a38446eb00d60fe9fa60b597f2b73 [1,1,0,0,0,0|1,0,1]=4 194 B7R0.2 CC(C)O[C@H](C)CS 75e7bc7c54e109d0d519f886fee3300f [1,1,0,0,0,0|1,0,1]=4 195 B7R0.2 CCC(C)OC(C)C 06c7f52afdb28395f9fa9574a364e474 [1,1,0,0,0,0|1,0,1]=4 196 B7R0.2 CC[C@@H](C)OC(C)C be2816eab25b2a9101da766270106c57 [1,1,0,0,0,0|1,0,1]=4 197 B7R0.2 CC[C@H](C)OC(C)C 2c6d159b250df3bb005afd7417a4b5dc [1,1,0,0,0,0|1,0,1]=4 198 B7R0.3 C#CCNC(=O)CC ef394171f7ba9dfda173330f309f7a5d [1,1,0,0,0,0|1,0,1]=4 199 B7R0.3 C#CCNC(=O)CS cd4e37f8b8830653a130a09363dce8f6 [1,1,0,0,0,0|1,0,1]=4 200 B7R0.3 CC(CS)OCCF 5a14cb2acfb2d6d25be1b8f12b44b6ed [1,1,0,0,0,0|1,0,1]=4 201 B7R0.3 CC(CS)OCCS 4c5a0494234ba5cfb20d857e8ce0ca08 [1,1,0,0,0,0|1,0,1]=4 202 B7R0.3 CCC(=O)COCF 0dfc429bc09e415d47df418ebade007a [1,1,0,0,0,0|1,0,0]=3 203 B7R0.3 CCC(=O)NCC#N 8ad58c7a251d01ba78f75279da47aa27 [1,1,0,0,0,0|1,0,1]=4 204 B7R0.3 CCC(=O)NCCBr 622c7e0d01006938ab3182a350e1ebd0 [1,1,0,0,0,0|1,0,0]=3 205 B7R0.3 CCC(=O)NCCF 64c5d06137bf344ab2d9ef1c9d4f8989 [1,1,0,0,0,0|1,0,0]=3 206 B7R0.3 CCC(=O)NCCI a607114f95a86326e4b8a49fc0dc2b27 [1,1,0,0,0,0|1,0,0]=3 207 B7R0.3 CCC(=O)NCCO 7cd694fbe0a0792079b1131d041f8e7c [1,1,0,0,0,0|1,0,0]=3 208 B7R0.3 CCC(=O)NCCS 2d1553f99b093c5be0d2a8ed841e36c7 [1,1,0,0,0,0|1,0,0]=3 209 B7R0.3 CCC(C)OCCF b50b83f4cc04a33902077c0b3a238cbc [1,1,0,0,0,0|1,0,1]=4 210 B7R0.3 CCC(C)OCCS 0b195719e1e4b78092bc0c0213134f4f [1,1,0,0,0,0|1,0,1]=4 211 B7R0.3 CCC(C)OCOC 7b2a5b8cb8aef52b76ee0f9de192d2d0 [1,1,0,0,0,0|1,0,1]=4 212 B7R0.3 CCC(C)OCSC a5a0b25f047959799e9ece96fa20b187 [1,1,0,0,0,0|1,0,1]=4 213 B7R0.3 CCCNC(=O)CC d52888c93ed9aa6cfb5138e6aae16063 [1,1,0,0,0,0|1,0,0]=3 214 B7R0.3 CCCNC(=O)CF 67a342107ae82918e7753da6150a6f54 [1,1,0,0,0,0|2,0,0]=4 215 B7R0.3 CCCNC(=O)CO 695700e0c0155474a56ee68a189e270e [1,1,0,0,0,0|1,1,0]=4 216 B7R0.3 CCCNC(=O)CS 91632e7a8866d5c8829272afb3b260d7 [1,1,0,0,0,0|1,0,0]=3 217 B7R0.3 CCCOC(C)CC 98a624a488dc392a35e8b0b44aac3f30 [1,1,0,0,0,0|1,0,1]=4 218 B7R0.3 CCCOC(C)CS 3831bbe85ee4c34ff42a76d0b53dbb5c [1,1,0,0,0,0|1,0,1]=4 219 B7R0.3 CCCO[C@@H](C)CC af9e77ade15ce19a7659cd0cba0e805a [1,1,0,0,0,0|1,0,1]=4 220 B7R0.3 CCCO[C@H](C)CC aceb38a7b284bb9c5e1ae0a6fb45caa0 [1,1,0,0,0,0|1,0,1]=4 221 B7R0.3 CCCO[C@H](C)CS 34c71dbcb154ce995a79e0481e98962a [1,1,0,0,0,0|1,0,1]=4 222 B7R0.3 CCNCC(=O)NC 6e0bba6a22fc3bc37e6c3e6f60c6e36a [1,1,0,0,0,0|2,0,0]=4 223 B7R0.3 CCNCC(=O)OC b1dca081e4a690ea6b077cbe8021ba9d [1,1,0,0,0,0|2,0,0]=4 224 B7R0.3 CCOCC(=O)CC 13cc2d887732afb318f359551753b6fc [1,1,0,0,0,0|0,0,0]=2 225 B7R0.3 CCOCC(=O)NC c799fcda6efa9f3f97fe8695cdef5794 [1,1,0,0,0,0|1,0,0]=3 226 B7R0.3 CCOCC(=O)OC b7ea85ad64af7662897e0490968d63a7 [1,1,0,0,0,0|1,0,0]=3 227 B7R0.3 CCOCC(C)CC b48ffd68a9924a596413f28a1f26cd9a [1,1,0,0,0,0|1,0,1]=4 228 B7R0.3 CCOCC(S)CS d80bb4af4d3d9e7ea521ee7f1ce8c4cb [1,1,0,0,0,0|0,1,1]=4 229 B7R0.3 CCOCN(C)CC 943ae7cd82ee7e4032615894df227ae8 [1,1,0,0,0,0|2,0,0]=4 230 B7R0.3 CCOC[C@@H](C)CC 24d1c149f27d56a7b1370d3d84a93c4a [1,1,0,0,0,0|1,0,1]=4 231 B7R0.3 CCOC[C@H](C)CC e4857d3b038c108c7619c84891e8a2f7 [1,1,0,0,0,0|1,0,1]=4 232 B7R0.3 CC[C@@H](C)OCCF 9a9e445f08d44c81e417052c615c3334 [1,1,0,0,0,0|1,0,1]=4 233 B7R0.3 CC[C@@H](C)OCCS c58b0dc1d2db79db526d0ab1218bffc7 [1,1,0,0,0,0|1,0,1]=4 234 B7R0.3 CC[C@@H](C)OCOC 5dd2de1ba91f6cde19e7a670f775c35c [1,1,0,0,0,0|1,0,1]=4 235 B7R0.3 CC[C@@H](C)OCSC 07780bc57acd6b7b99e87c445c42d82f [1,1,0,0,0,0|1,0,1]=4 236 B7R0.3 CC[C@H](C)OCCF b495df4c5acd12e724246ab7aab5bcc3 [1,1,0,0,0,0|1,0,1]=4 237 B7R0.3 CC[C@H](C)OCCS d78ff3c7dda26d3bc7cef65283cd3558 [1,1,0,0,0,0|1,0,1]=4 238 B7R0.3 CC[C@H](C)OCOC 841bb4da5d82dffee5f6f29fdb10c40b [1,1,0,0,0,0|1,0,1]=4 239 B7R0.3 CC[C@H](C)OCSC 879c6380126ff9fd0bdc6f15a431ea23 [1,1,0,0,0,0|1,0,1]=4 240 B7R0.3 CNC(=O)COCF ee658a087bac7b7433b26d422d1c0261 [1,1,0,0,0,0|2,0,0]=4 241 B7R0.3 COC(=O)COCF fd3305c5ca341d194c1950aa91cbc248 [1,1,0,0,0,0|2,0,0]=4 242 B7R0.3 CSCOC(C)CS e72ba884b9015d7996527663a2b23dcf [1,1,0,0,0,0|1,0,1]=4 243 B7R0.3 CSCO[C@H](C)CS f2b1cd8743208a95078103d175668411 [1,1,0,0,0,0|1,0,1]=4 244 B7R0.3 C[C@H](CS)OCCF e802a848389fb605db8d861c1c53c8bb [1,1,0,0,0,0|1,0,1]=4 245 B7R0.3 C[C@H](CS)OCCS f4b2ba60b9ef84050b5c98d7dfd70389 [1,1,0,0,0,0|1,0,1]=4 246 B7R0.3 N#CCNC(=O)CS 86a7da4cf1eaa1e98a4819073113dcc9 [1,1,0,0,0,0|1,0,1]=4 247 B7R0.3 O=C(CF)NCCBr 673baad86e5eefbb1b8c6ebb8cd73ae0 [1,1,0,0,0,0|2,0,0]=4 248 B7R0.3 O=C(CF)NCCF 67f25bcd080b5d85cd6525c56f31ea47 [1,1,0,0,0,0|2,0,0]=4 249 B7R0.3 O=C(CF)NCCI 1267d8b8b0da94faf267955e2b6d3339 [1,1,0,0,0,0|2,0,0]=4 250 B7R0.3 O=C(CF)NCCO 249c36c08dc5400834b319c39099c4e4 [1,1,0,0,0,0|2,0,0]=4 251 B7R0.3 O=C(CF)NCCS 6fbf26912db8657dfac73b7a38962924 [1,1,0,0,0,0|2,0,0]=4 252 B7R0.3 O=C(CO)NCCBr 0d2e958569fc4d07a30343b37bac9c1d [1,1,0,0,0,0|1,1,0]=4 253 B7R0.3 O=C(CO)NCCF b7f1aa95ae5b9ced38af3286ec11730a [1,1,0,0,0,0|1,1,0]=4 254 B7R0.3 O=C(CO)NCCI 800c7155616705269676d2b386ed78aa [1,1,0,0,0,0|1,1,0]=4 255 B7R0.3 O=C(CO)NCCO 50003864fda33c69c3e5fa91ade641a0 [1,1,0,0,0,0|1,1,0]=4 256 B7R0.3 O=C(CO)NCCS 26e52ec354a3b7189e72bcae6a8d0219 [1,1,0,0,0,0|1,1,0]=4 257 B7R0.3 O=C(CS)NCCBr 4b08241ea1d7b8a0c4334c82506d75b0 [1,1,0,0,0,0|1,0,0]=3 258 B7R0.3 O=C(CS)NCCF d3c5664c15544d35b4683a8663e5b57d [1,1,0,0,0,0|1,0,0]=3 259 B7R0.3 O=C(CS)NCCI 95020692b0f8665c0c31cb074bf3f310 [1,1,0,0,0,0|1,0,0]=3 260 B7R0.3 O=C(CS)NCCO 1770b4a33c0d2574e46d3e387e79cf7a [1,1,0,0,0,0|1,0,0]=3 261 B7R0.3 O=C(CS)NCCS a9285f587f9c002b8ab7f77509aee977 [1,1,0,0,0,0|1,0,0]=3 262 B7R0.7 CCCC(=S)OCC 1c7e19bdea536ef2f89edad836560238 [1,1,0,0,0,0|0,1,0]=3 263 B7R0.7 CCCC(=S)OCF 8dc901968f3491ced45b3f4cde755440 [1,1,0,0,0,0|1,1,0]=4 264 B7R0.7 CCCC(C)OCC f8a13dff786165aad9d4cfd77470c868 [1,1,0,0,0,0|1,0,1]=4 265 B7R0.7 CCC[C@@H](C)OCC ad566fabe40b68a5eff8830d607c6d5f [1,1,0,0,0,0|1,0,1]=4 266 B7R0.7 CCC[C@H](C)OCC 1fee3bcf808f20e21cce64abf5182523 [1,1,0,0,0,0|1,0,1]=4 267 B7R0.7 CCOC(C)COC fe243350564a7dc6ae1ae7113d5524f6 [1,1,0,0,0,0|1,0,1]=4 268 B7R0.7 CCOC(C)CSC e325c79726bf48130f9e676fa3908dca [1,1,0,0,0,0|1,0,1]=4 269 B7R0.7 CCO[C@@H](C)COC f439908527642fb0fb69029fa9f8bc89 [1,1,0,0,0,0|1,0,1]=4 270 B7R0.7 CCO[C@H](C)COC 9a86a7ea1ccd0f751a8074ffc2bb4277 [1,1,0,0,0,0|1,0,1]=4 271 B7R0.10 CCC(=O)N(C)CC 307c98a15c6ddf11013971017d018a3f [1,1,0,0,0,0|1,0,0]=3 272 B7R0.10 CCN(C)C(=O)CF 54aaf1a54644f658afd3f400769d8763 [1,1,0,0,0,0|2,0,0]=4 273 B7R0.10 CCN(C)C(=O)CO ed09d31f2cea5da5288bffcd06a685cb [1,1,0,0,0,0|1,1,0]=4 274 B7R0.10 CCN(C)C(=O)CS 733bcf40a4acbb7ca1e0cf3589cee1e7 [1,1,0,0,0,0|1,0,0]=3 275 B7R0.12 C#CC(CC)OCC 6abeb838fcea8b6a2cba4e33dc1c0f32 [1,1,0,0,0,0|1,0,1]=4 276 B7R0.12 C=CC(CC)OCC 3384f4e6ac585bde2972dae19026fd2c [1,1,0,0,0,0|1,0,1]=4 277 B7R0.12 CCCN(C=O)CC c9c4d92e42201b75307332d9c7692aa9 [1,1,0,0,0,0|2,0,0]=4 278 B7R0.12 CCOC(C#N)CC 7e047b05d0e19c947a2b74261d14c997 [1,1,0,0,0,0|1,0,1]=4 279 B7R0.12 CCOC(CC)CC 60351d1ac9a51febe159ba00076742a6 [1,1,0,0,0,0|1,0,1]=4 280 B7R0.15 CCN(C=O)C(C)C 86649df767a092150d1d82b73f12f48f [1,1,0,0,0,0|2,0,0]=4 281 B7R0.4 C#CCOCC(C)S e8c23b3f60ec0b23e4801132bf3e2b9b [1,1,0,0,0,0|0,0,2]=4 282 B7R0.4 C=CCOCC(C)S c0443280688281fff6bac011768c9c1b [1,1,0,0,0,0|0,0,2]=4 283 B7R0.4 CC(C)COCCF 83bb949d8c551562556937d0600d6efb [1,1,0,0,0,0|1,0,1]=4 284 B7R0.4 CC(C)COCCS 84ea4ff8f634d7739886cdbaa6625a00 [1,1,0,0,0,0|1,0,1]=4 285 B7R0.4 CC(F)COCCF 116a6a3052c8de49db4f34ae9008ac78 [1,1,0,0,0,0|1,0,1]=4 286 B7R0.4 CC(F)COCCS 8d2984085a69d91abfeadd49afaeec93 [1,1,0,0,0,0|1,0,1]=4 287 B7R0.4 CC(S)COCC#N 8408de29b1c2dba038610c9179acde99 [1,1,0,0,0,0|0,0,2]=4 288 B7R0.4 CC(S)COCC=O 15ebcb7a251dae8d81b8432f521474d6 [1,1,0,0,0,0|0,0,2]=4 289 B7R0.4 CC(S)COCCF c5074ee60aeb4c30ed588360445a5de7 [1,1,0,0,0,0|0,0,1]=3 290 B7R0.4 CC(S)COCCS 0983b2499bf7b6b754e79e2d709efcf5 [1,1,0,0,0,0|0,0,1]=3 291 B7R0.4 CCCOCC(C)C 519497356751b621892cf233de56054b [1,1,0,0,0,0|1,0,1]=4 292 B7R0.4 CCCOCC(C)F dd29a194f54e9c80d8edf1f9d80b8d74 [1,1,0,0,0,0|1,0,1]=4 293 B7R0.4 CCCOCC(C)S be744eae5a3365df2c9fc241f88d0c34 [1,1,0,0,0,0|0,0,1]=3 294 B7R0.4 CCCOC[C@@H](C)F 3e309754c30a5b79d5dc25a5081557ca [1,1,0,0,0,0|1,0,1]=4 295 B7R0.4 CCCOC[C@H](C)F 383eac738512a675ea10661fb503a531 [1,1,0,0,0,0|1,0,1]=4 296 B7R0.4 CCOC/C=C(/C)\Cl a79883948efe387ccbf8035e4bbbf803 [1,1,0,0,0,0|1,0,1]=4 297 B7R0.4 CCOC/C=C(/C)\I 31046cb5ab0b5fce8af568a1edb154c5 [1,1,0,0,0,0|1,0,1]=4 298 B7R0.4 CCOCC=C(C)C 24a34a23a06cf18457415c98f967840a [1,1,0,0,0,0|1,0,1]=4 299 B7R0.4 CCOCC=C(C)I 79d9eb8c50caa3a3f2106cdc9cdd7c84 [1,1,0,0,0,0|1,0,1]=4 300 B7R0.4 CCOCCC(C)C a81ef4c75f60509d0095bacdc570a8e6 [1,1,0,0,0,0|1,0,1]=4 301 B7R0.4 CCOCOC(C)C fcb36bcabbd9c702db3bb59956b361ad [1,1,0,0,0,0|1,0,1]=4 302 B7R0.4 COCOCC(C)C 61a68151721001e97ead89f074e554c8 [1,1,0,0,0,0|1,0,1]=4 303 B7R0.4 COCOCC(C)F 8914da36a6668652f42dd48a2de189ef [1,1,0,0,0,0|1,0,1]=4 304 B7R0.4 COCOCC(C)S e066c7f9b17ffc4be78eeceab96a73b5 [1,1,0,0,0,0|0,0,1]=3 305 B7R0.4 COCOC[C@@H](C)F 6545045391d8f6ced82f2bf093ba89e0 [1,1,0,0,0,0|1,0,1]=4 306 B7R0.4 COCOC[C@H](C)F 79bbf51d9f1999e8364c46bd7028ac05 [1,1,0,0,0,0|1,0,1]=4 307 B7R0.4 CSCOCC(C)C 2e75b1421641e4cf6bcc7f6e6907b733 [1,1,0,0,0,0|1,0,1]=4 308 B7R0.4 CSCOCC(C)F 53f1875474e3b9bdff910b92b60ba853 [1,1,0,0,0,0|1,0,1]=4 309 B7R0.4 CSCOCC(C)S f9be698c7d26541eb43c0e631766ae27 [1,1,0,0,0,0|0,0,1]=3 310 B7R0.4 CSCOC[C@@H](C)F 0136a6bbb00194305a65bf070cb3d15d [1,1,0,0,0,0|1,0,1]=4 311 B7R0.4 CSCOC[C@H](C)F 7813ba3f17ca085b20bd9c5ced200835 [1,1,0,0,0,0|1,0,1]=4 312 B7R0.4 C[C@@H](F)COCCF 3110bb67cbd1b2e85d385d6e3d35756e [1,1,0,0,0,0|1,0,1]=4 313 B7R0.4 C[C@@H](F)COCCS bfd1f029789b1190dba2ea5476759c7f [1,1,0,0,0,0|1,0,1]=4 314 B7R0.4 C[C@H](F)COCCF e0cc26a0b5d222012ac2289b3b46d0f6 [1,1,0,0,0,0|1,0,1]=4 315 B7R0.4 C[C@H](F)COCCS 2e8d8a893b1bd1c8bd8b5bd8050b0a6b [1,1,0,0,0,0|1,0,1]=4 316 B7R0.6 CC(C)COC(C)C 77eecc331fd01778c375925278ff8a8b [1,1,0,0,0,0|1,0,1]=4 317 B7R0.6 CC(C)OC[C@@H](C)F 20a173ffcc76fe6afc30e0651bd85f9b [1,1,0,0,0,0|1,0,1]=4 318 B7R0.6 CC(C)OC[C@H](C)F 68e099b1d0df355662b96af0ef440aac [1,1,0,0,0,0|1,0,1]=4 319 B7R0.6 CC(F)COC(C)C 0baa8e540b95c92b06f0417877dbd740 [1,1,0,0,0,0|1,0,1]=4 320 B7R0.6 CC(S)COC(C)C 57c18a958d625f63860f9eb7db36a7e5 [1,1,0,0,0,0|0,0,1]=3 321 B7R0.8 CC(C)(S)COCF 5e5d9df6938dea8946b0e42a96b28fba [1,1,0,0,0,0|1,0,1]=4 322 B7R0.8 CCOCC(C)(C)Br c5fd84cd204c784fac27f51432de2345 [1,1,0,0,0,0|1,0,1]=4 323 B7R0.8 CCOCC(C)(C)C cbc6e6dff9d30de641f2a7020db5e172 [1,1,0,0,0,0|1,0,1]=4 324 B7R0.8 CCOCC(C)(C)F 4ceebf68b1b3af46558065e266734baa [1,1,0,0,0,0|1,0,1]=4 325 B7R0.8 CCOCC(C)(C)S a7e0d94172e2fed0c574a998a7210b49 [1,1,0,0,0,0|0,0,1]=3 326 B9R0.4 CC(C)CC(=O)NCCBr f3f37f4a91caaf8874aac99404e28d0c [0,1,0,0,0,1|2,0,0]=4 327 B9R0.4 CC(C)CC(=O)NCCF 98c8b005291c000c685f2639e5baf1af [0,1,0,0,0,1|2,0,0]=4 328 B9R0.4 CC(C)CC(=O)NCCI ee01ae82d906b709e1de6da7bb133f21 [0,1,0,0,0,1|2,0,0]=4 329 B9R0.4 CC(C)CC(=O)NCCO 6c715f945a2b8842828200acbf60538e [0,1,0,0,0,1|2,0,0]=4 330 B9R0.4 CC(C)CC(=O)NCCS cefdecc229edd49f32be6a54aa54d3ae [0,1,0,0,0,1|2,0,0]=4 331 B9R0.4 CC(C)NC(=O)COCF 1fd8a382c6a2d3762960ebe331d15d90 [0,1,0,0,0,1|2,0,0]=4 332 B9R0.4 CC(C)OC(=O)COCF f7410181de637c69760136afa1a62a91 [0,1,0,0,0,1|2,0,0]=4 333 B9R0.4 CC(O)CC(=O)NCCBr 7265682de9a84ddec65c34ea3939bed5 [0,1,0,0,0,1|1,1,0]=4 334 B9R0.4 CC(O)CC(=O)NCCF 786cfff5b497e6d223e9ba5ae35c5a70 [0,1,0,0,0,1|1,1,0]=4 335 B9R0.4 CC(O)CC(=O)NCCI d5e82af76f90322e609e6dce55b1762f [0,1,0,0,0,1|1,1,0]=4 336 B9R0.4 CC(O)CC(=O)NCCO 859a0f6b2813ebb22709a20a11ef68f4 [0,1,0,0,0,1|1,1,0]=4 337 B9R0.4 CC(O)CC(=O)NCCS c4825b4c0603e04c3edc801a419b69b0 [0,1,0,0,0,1|1,1,0]=4 338 B9R0.4 CCCNC(=O)CC(C)C 758b6e1cd25acf226be8847d4e56cf2d [0,1,0,0,0,1|2,0,0]=4 339 B9R0.4 CCCNC(=O)CC(C)O 7110cd96b9f553bdbd25c874da6cd8e3 [0,1,0,0,0,1|1,1,0]=4 340 B9R0.4 CCCNC(=O)C[C@@H](C)O 3cf3a463b314165c7bf9273f0f25f256 [0,1,0,0,0,1|1,1,0]=4 341 B9R0.4 CCCNC(=O)C[C@H](C)O fa4a14e2d0b155af615e65989556a1f9 [0,1,0,0,0,1|1,1,0]=4 342 B9R0.4 CCNCC(=O)NC(C)C d0a476cf293a50ce526d48d0080d41db [0,1,0,0,0,1|2,0,0]=4 343 B9R0.4 CCOCC(=O)NC(C)C 18e0b25d15c2ef546bbcf6627c9ea33b [0,1,0,0,0,1|1,0,0]=3 344 B9R0.4 CCOCC(=O)OC(C)C a46f2e33e4c4b2ce3b4ebe5c5f8af7d8 [0,1,0,0,0,1|1,0,0]=3 345 B9R0.4 C[C@@H](O)CC(=O)NCCBr 4162112a04e1def98a760cf92de0d4b2 [0,1,0,0,0,1|1,1,0]=4 346 B9R0.4 C[C@@H](O)CC(=O)NCCF 8ce16f8043c6632b89da237ae23d695e [0,1,0,0,0,1|1,1,0]=4 347 B9R0.4 C[C@@H](O)CC(=O)NCCI 7c9a56a4bd4a2de50ebc4ce96f107790 [0,1,0,0,0,1|1,1,0]=4 348 B9R0.4 C[C@@H](O)CC(=O)NCCO e706ccfcca3ab825e8ef1abe6c510a65 [0,1,0,0,0,1|1,1,0]=4 349 B9R0.4 C[C@@H](O)CC(=O)NCCS e0aedd0a825011b0a41fba2ef59047bf [0,1,0,0,0,1|1,1,0]=4 350 B9R0.4 C[C@H](O)CC(=O)NCCBr 5eb67d8a34d442861de65bfcd6b465db [0,1,0,0,0,1|1,1,0]=4 351 B9R0.4 C[C@H](O)CC(=O)NCCF 1a3551616ccb6c76691c75648c3a8d5b [0,1,0,0,0,1|1,1,0]=4 352 B9R0.4 C[C@H](O)CC(=O)NCCI e67499b28b25ae89473abf57f6939a89 [0,1,0,0,0,1|1,1,0]=4 353 B9R0.4 C[C@H](O)CC(=O)NCCO d5a139c3bfb8313edb0b04fbe3c45daa [0,1,0,0,0,1|1,1,0]=4 354 B9R0.4 C[C@H](O)CC(=O)NCCS 610a9a3cc25adf16dc1f3466a99d74ab [0,1,0,0,0,1|1,1,0]=4 355 B9R0.6 CCCC(=O)N(C)C(C)C ad95bb06ca801adf4bec9bbbf68ab199 [0,1,0,0,0,1|2,0,0]=4 356 B9R0.23 CCN(C)C(=O)CC(C)C f5aa9c983521ea19a241f566d93b8cfe [0,1,0,0,0,1|2,0,0]=4 357 B9R0.23 CCN(C)C(=O)CC(C)O 79286a139a82e16689440e15446c3090 [0,1,0,0,0,1|1,1,0]=4 358 B9R0.23 CCN(C)C(=O)C[C@@H](C)O 8eb99e0152f4508f4faade829e02b3f3 [0,1,0,0,0,1|1,1,0]=4 359 B9R0.23 CCN(C)C(=O)C[C@H](C)O ad454d3c45b697685e93ab87b03c70c6 [0,1,0,0,0,1|1,1,0]=4 360 B9R0.34 C#CC(C)NC(=O)CCC c49c69a099617650ae924b47a6cf528d [0,1,0,0,0,1|2,0,0]=4 361 B9R0.34 C#C[C@@H](C)NC(=O)CCC 6e82626b3807edfd7d62bf2f78f1641a [0,1,0,0,0,1|2,0,0]=4 362 B9R0.34 C#C[C@H](C)NC(=O)CCC f5eae96e89553574ceaaf6ca52f2d9c4 [0,1,0,0,0,1|2,0,0]=4 363 B9R0.34 C=CC(C)NC(=O)CCC dace3a2f489dec5594f350050e771d82 [0,1,0,0,0,1|2,0,0]=4 364 B9R0.34 CCCC(=O)NC(C)C#N 8bf41097989a1c2d1a6c07f2ede12182 [0,1,0,0,0,1|2,0,0]=4 365 B9R0.34 CCCC(=O)NC(C)CC 38c367e96c0a19794c8b20cd2fb7c376 [0,1,0,0,0,1|2,0,0]=4 366 B9R0.34 CCCC(=O)NC(C)CO a7090c1c1b405bd35722b578555619c9 [0,1,0,0,0,1|1,1,0]=4 367 B9R0.34 CCCC(=O)N[C@@H](C)CC efc6625fdae8a77efd786fcb0643e4e6 [0,1,0,0,0,1|2,0,0]=4 368 B9R0.34 CCCC(=O)N[C@@H](C)CO 4c6ad042e71ecf9f65651ad3da78b67c [0,1,0,0,0,1|1,1,0]=4 369 B9R0.34 CCCC(=O)N[C@H](C)CC 25ef63beafef1f6530659eafa2b0dfe9 [0,1,0,0,0,1|2,0,0]=4 370 B9R0.34 CCCC(=O)N[C@H](C)CO 33f6a48d549715835d933ee65f465f73 [0,1,0,0,0,1|1,1,0]=4 371 B9R0.34 CCOC(=O)CN(C)CC a8474fa2e310db8d1704be7deba7f938 [0,1,0,0,0,1|2,0,0]=4 372 B9R0.44 CCCC(=O)NC(C)(C)C 31a39f902168f0d0780984e352ac78d4 [0,1,0,0,0,1|2,0,0]=4 373 B9R0.44 CCOC(C)CC(C)(C)S c3ceb85f6bafd03ecceb01ee39dd5983 [0,1,0,0,0,1|1,0,1]=4 374 B9R0.25 CCN(C)C(=O)C(C)(F)F ca2ef8322b9106ddb33b3090720417c4 [0,2,0,0,0,0|2,0,0]=4 375 B9R0.27 CCC(O)C(=O)N(C)CC 7fe60461ae1cf0ce898084f331e25b96 [0,2,0,0,0,0|1,1,0]=4 376 B9R0.27 CCN(C)C(=O)C(C)OC 211dd707973b87e848baf4f2e38e7798 [0,2,0,0,0,0|1,1,0]=4 377 B9R0.27 CCN(C)C(=O)C(C)SC 10d14e4f7c5aa7b80696475b415028b6 [0,2,0,0,0,0|1,0,0]=3 378 B9R0.27 CCN(C)C(=O)C(O)CO 614f98d2511e874540b57f4af03f791b [0,2,0,0,0,0|1,1,0]=4 379 B9R0.27 CCN(C)C(=O)[C@@H](C)OC 46cafddcb58855a963bbcd898d87a9bd [0,2,0,0,0,0|1,1,0]=4 380 B9R0.27 CCN(C)C(=O)[C@@H](O)CO 68a66d0d08e26a47b0954aca12095261 [0,2,0,0,0,0|1,1,0]=4 381 B9R0.27 CCN(C)C(=O)[C@H](C)OC 17b047e52faf48ac63a731cc919ebcd5 [0,2,0,0,0,0|1,1,0]=4 382 B9R0.27 CCN(C)C(=O)[C@H](O)CF 291c71b7a9dc6398d1ee0e39b0ba0c12 [0,2,0,0,0,0|1,1,0]=4 383 B9R0.27 CC[C@@H](O)C(=O)N(C)CC 6908b20d77ae0f0430d98fb841cfee5f [0,2,0,0,0,0|1,1,0]=4 384 B9R0.27 CC[C@H](O)C(=O)N(C)CC 5eec0dce07fe184965e5459f1cba2be2 [0,2,0,0,0,0|1,1,0]=4 385 B9R0.27 CC[C@H](S)C(=O)N(C)CC 4b048fd6523d53f83175bc30265017aa [0,2,0,0,0,0|1,0,0]=3 386 B9R0.79 CC(S)C(=O)N(C)C(C)C 7f4e96f2593e7bd8e88b1243b32e7c37 [0,2,0,0,0,0|1,0,0]=3 387 B9R0.8 C#CCNC(=O)[C@@H](S)CC 0eed3a439a8826293f0a0543a3e88b7c [0,2,0,0,0,0|1,0,1]=4 388 B9R0.8 CCC(O)C(=O)NCCBr 2ade1c833c430c1a211b1a3611a33f69 [0,2,0,0,0,0|1,1,0]=4 389 B9R0.8 CCC(O)C(=O)NCCF 1f624e25ced331a0ee5911c21f93c213 [0,2,0,0,0,0|1,1,0]=4 390 B9R0.8 CCC(O)C(=O)NCCI 554a25dff9dadce41249b0c094c2f8db [0,2,0,0,0,0|1,1,0]=4 391 B9R0.8 CCC(O)C(=O)NCCO 745a9d17724d87b794549d966c0a7f8e [0,2,0,0,0,0|1,1,0]=4 392 B9R0.8 CCC(O)C(=O)NCCS bbec3d565e71af61e29ab85ac287ecc8 [0,2,0,0,0,0|1,1,0]=4 393 B9R0.8 CCCNC(=O)C(C)OC 009dd3829fd7f640327de48ee647ac3e [0,2,0,0,0,0|1,1,0]=4 394 B9R0.8 CCCNC(=O)C(C)SC c1cd647c94c4a028f65708b4f9b40b01 [0,2,0,0,0,0|1,0,0]=3 395 B9R0.8 CCCNC(=O)C(O)CC edd04219b33ab5e22cf9bff2adb8263b [0,2,0,0,0,0|1,1,0]=4 396 B9R0.8 CCCNC(=O)C(O)CO d7c655595f96eab9d65b9b07299f3143 [0,2,0,0,0,0|1,1,0]=4 397 B9R0.8 CCCNC(=O)[C@@H](C)OC f19ba5ac19918fafa2b05b77a0c30d45 [0,2,0,0,0,0|1,1,0]=4 398 B9R0.8 CCCNC(=O)[C@@H](O)CC 6213de286f3cc084357619621a240c57 [0,2,0,0,0,0|1,1,0]=4 399 B9R0.8 CCCNC(=O)[C@@H](O)CO cddf6fa28ced77253bf372319fed5d9e [0,2,0,0,0,0|1,1,0]=4 400 B9R0.8 CCCNC(=O)[C@@H](S)CC 307adf8ab625a0844c694fbfab2ae1cc [0,2,0,0,0,0|1,0,0]=3 401 B9R0.8 CCCNC(=O)[C@H](C)OC 2e8ae98230847236ad2d28191ce3bb9e [0,2,0,0,0,0|1,1,0]=4 402 B9R0.8 CCCNC(=O)[C@H](O)CC af51f60b56be4879c2275bcf120b5462 [0,2,0,0,0,0|1,1,0]=4 403 B9R0.8 CCCNC(=O)[C@H](O)CF c398a2eaadc782e2e0bcfee633a2e30d [0,2,0,0,0,0|1,1,0]=4 404 B9R0.8 CCOCC(=O)N(C)CC 3add8cdab6a5ad857d619a20fc9f3f22 [0,2,0,0,0,0|2,0,0]=4 405 B9R0.8 CCOCC(C)C(S)CC 0bfcbb583e8add4bf4721f60faac8cc9 [0,2,0,0,0,0|1,0,1]=4 406 B9R0.8 CC[C@@H](O)C(=O)NCCBr b4e3aa63e6f4cf0e487b426b564f6db7 [0,2,0,0,0,0|1,1,0]=4 407 B9R0.8 CC[C@@H](O)C(=O)NCCF 4a9265769a05e1eb15a2b137cb1c7303 [0,2,0,0,0,0|1,1,0]=4 408 B9R0.8 CC[C@@H](O)C(=O)NCCI 8165ce5a00352cf773b65846496b468f [0,2,0,0,0,0|1,1,0]=4 409 B9R0.8 CC[C@@H](O)C(=O)NCCO dae4c65b6f291f588a814c097e9a1d63 [0,2,0,0,0,0|1,1,0]=4 410 B9R0.8 CC[C@@H](O)C(=O)NCCS 517d3d5d9f343789c678b0ec63cc954a [0,2,0,0,0,0|1,1,0]=4 411 B9R0.8 CC[C@H](O)C(=O)NCCBr e1da6eb0e539aabf5fc41b91d371b57b [0,2,0,0,0,0|1,1,0]=4 412 B9R0.8 CC[C@H](O)C(=O)NCCF af0c479fd3780ea161cd466e1cbe5c22 [0,2,0,0,0,0|1,1,0]=4 413 B9R0.8 CC[C@H](O)C(=O)NCCI b0d58289b4178ffd545fec3555e56278 [0,2,0,0,0,0|1,1,0]=4 414 B9R0.8 CC[C@H](O)C(=O)NCCO 686aa24f9002e236f6b398d59657d88e [0,2,0,0,0,0|1,1,0]=4 415 B9R0.8 CC[C@H](O)C(=O)NCCS 3a701f6b1b219d79627bfd934b5bd5eb [0,2,0,0,0,0|1,1,0]=4 416 B9R0.8 CC[C@H](S)C(=O)NCC#N d0a0c0b7b002d993aa01e0184442cc55 [0,2,0,0,0,0|1,0,1]=4 417 B9R0.8 CC[C@H](S)C(=O)NCCBr 335c0916c1090d60220adbc9d51172b1 [0,2,0,0,0,0|1,0,0]=3 418 B9R0.8 CC[C@H](S)C(=O)NCCF 3cf56c01f942eaa9691d225e90536e7d [0,2,0,0,0,0|1,0,0]=3 419 B9R0.8 CC[C@H](S)C(=O)NCCI 33591aa7c081ab11daeaac3f4291fbd3 [0,2,0,0,0,0|1,0,0]=3 420 B9R0.8 CC[C@H](S)C(=O)NCCO ef37894623a18aeddfeb9fa640ef45ba [0,2,0,0,0,0|1,0,0]=3 421 B9R0.8 CC[C@H](S)C(=O)NCCS 73f1fdfa03158d1e41ca41ed46c794d6 [0,2,0,0,0,0|1,0,0]=3 422 B9R0.8 COC(C)C(=O)NCCBr 70181b8f280d27866382783267cd6a80 [0,2,0,0,0,0|1,1,0]=4 423 B9R0.8 COC(C)C(=O)NCCF 72536b365ea95b52adc5b90da2a860da [0,2,0,0,0,0|1,1,0]=4 424 B9R0.8 COC(C)C(=O)NCCI 17a0e2e9fd1b7403f9862df913b90da0 [0,2,0,0,0,0|1,1,0]=4 425 B9R0.8 COC(C)C(=O)NCCO f6d4742304c8e766bf3b2e11faaa599a [0,2,0,0,0,0|1,1,0]=4 426 B9R0.8 COC(C)C(=O)NCCS d6f87202f49bb36bc929be090f10f0ea [0,2,0,0,0,0|1,1,0]=4 427 B9R0.8 CO[C@@H](C)C(=O)NCCBr 9b79da78e4747bb924a81921bb34c214 [0,2,0,0,0,0|1,1,0]=4 428 B9R0.8 CO[C@@H](C)C(=O)NCCF 7dd3bf2897b51b43a73f96ea085eaaa4 [0,2,0,0,0,0|1,1,0]=4 429 B9R0.8 CO[C@@H](C)C(=O)NCCI cc4e3d8ffb24894e8d8d5e767c2c11ed [0,2,0,0,0,0|1,1,0]=4 430 B9R0.8 CO[C@@H](C)C(=O)NCCO 722920cef60ae413ce35f7c386be7fa8 [0,2,0,0,0,0|1,1,0]=4 431 B9R0.8 CO[C@@H](C)C(=O)NCCS 1cbeaa86510849c657b66794a7fb3ee6 [0,2,0,0,0,0|1,1,0]=4 432 B9R0.8 CO[C@H](C)C(=O)NCCBr 9c6e5b2d7c7416260f1fcd90b9c20ca6 [0,2,0,0,0,0|1,1,0]=4 433 B9R0.8 CO[C@H](C)C(=O)NCCF d906c93a7ac3ed4697cb3f9c26b47d50 [0,2,0,0,0,0|1,1,0]=4 434 B9R0.8 CO[C@H](C)C(=O)NCCI 9b0d2adc0225cc8c5720789a9f854a3f [0,2,0,0,0,0|1,1,0]=4 435 B9R0.8 CO[C@H](C)C(=O)NCCO 38a9292cd28c04ea3545214abb3d1df5 [0,2,0,0,0,0|1,1,0]=4 436 B9R0.8 CO[C@H](C)C(=O)NCCS ddcd3912fc0e64986fc72434055291da [0,2,0,0,0,0|1,1,0]=4 437 B9R0.8 CSC(C)C(=O)NCCBr caf47375f0e3dca0dc13ede6aa11a514 [0,2,0,0,0,0|1,0,0]=3 438 B9R0.8 CSC(C)C(=O)NCCF ead6d6796fc83c3c09bd03388f4d225f [0,2,0,0,0,0|1,0,0]=3 439 B9R0.8 CSC(C)C(=O)NCCI 033f88236834c2acc59b8191d80dcd15 [0,2,0,0,0,0|1,0,0]=3 440 B9R0.8 CSC(C)C(=O)NCCO e0eb304f8089db8916401a8cb18330fc [0,2,0,0,0,0|1,0,0]=3 441 B9R0.8 CSC(C)C(=O)NCCS 49ec9b36ccb59bf2547f64f2ea8fd374 [0,2,0,0,0,0|1,0,0]=3 442 B9R0.8 O=C(NCCBr)C(O)CO 50732b6f5d6c22802a0fb9aa49851584 [0,2,0,0,0,0|1,1,0]=4 443 B9R0.8 O=C(NCCBr)[C@@H](O)CO 1a3e86b7351c372b4b6d9acddaad0ad8 [0,2,0,0,0,0|1,1,0]=4 444 B9R0.8 O=C(NCCBr)[C@H](O)CF 6897d627283b08191ccb6b3025225c76 [0,2,0,0,0,0|1,1,0]=4 445 B9R0.8 O=C(NCCF)C(O)CO a41670d26a095dbb87dabe1daf19d15c [0,2,0,0,0,0|1,1,0]=4 446 B9R0.8 O=C(NCCF)[C@@H](O)CO 6359370fd13bc6933f65b7d95280cb26 [0,2,0,0,0,0|1,1,0]=4 447 B9R0.8 O=C(NCCF)[C@H](O)CF 67669445db6698fae30ece56e7289fab [0,2,0,0,0,0|1,1,0]=4 448 B9R0.8 O=C(NCCI)C(O)CO 550aeaacc9772a321ca6d91ab43583a0 [0,2,0,0,0,0|1,1,0]=4 449 B9R0.8 O=C(NCCI)[C@@H](O)CO fd2f96f27805ed770ed342caf7144613 [0,2,0,0,0,0|1,1,0]=4 450 B9R0.8 O=C(NCCI)[C@H](O)CF 2f0832e6ad14d04d611e1786b91d8b32 [0,2,0,0,0,0|1,1,0]=4 451 B9R0.8 O=C(NCCO)C(O)CO d96a63d08d0d0603e5f41935a3b7977d [0,2,0,0,0,0|1,1,0]=4 452 B9R0.8 O=C(NCCO)[C@@H](O)CO a23744cc7f9225763404caeb944d8664 [0,2,0,0,0,0|1,1,0]=4 453 B9R0.8 O=C(NCCO)[C@H](O)CF 5e516f653738eebab65653f76e507c02 [0,2,0,0,0,0|1,1,0]=4 454 B9R0.8 O=C(NCCS)C(O)CO b572495f13c3e8ce68b1069b0ce3da42 [0,2,0,0,0,0|1,1,0]=4 455 B9R0.8 O=C(NCCS)[C@@H](O)CO 74902f6f01a936c5e48ddb7b8b6a4e1d [0,2,0,0,0,0|1,1,0]=4 456 B9R0.8 O=C(NCCS)[C@H](O)CF 381cfe440e76d0fa29d139c06988cfba [0,2,0,0,0,0|1,1,0]=4 457 B9R0.35 CCNC(=O)C(C)NC#N c0e3135a3969794caa3665c7f628e775 [0,2,0,0,0,0|2,0,0]=4 458 B9R0.35 CCNC(=O)[C@H](C)NC=O 91ed9b5a21373d5f20dc0bb59f8b266a [0,2,0,0,0,0|1,1,0]=4 459 B9R0.35 CCNC(=O)[C@H](C)NCC 214401333582d701d8596737f61e8294 [0,2,0,0,0,0|2,0,0]=4 460 B9R0.35 CCNC(=O)[C@H](C)NCF 647dbf3b46ecfc419c034e35268f1982 [0,2,0,0,0,0|2,0,0]=4 461 B9R0.35 CCNC(=O)[C@H](C)NCO a1dc75e0857f3efa55b51ecfab4c3824 [0,2,0,0,0,0|1,1,0]=4 462 B9R0.35 CCN[C@H](C)C(=O)OCC 6875bcc526feb7ae66bd8400bcf3b7da [0,2,0,0,0,0|1,0,0]=3 463 B9R0.35 CCOC(=O)C(C)NC#N ee901cb3285a6cbc45d9e42c5a9ba4f4 [0,2,0,0,0,0|1,0,0]=3 464 B9R0.35 CCOC(=O)C(C)OCC f445527160852fc0c43d12c8fe5320cc [0,2,0,0,0,0|0,1,0]=3 465 B9R0.35 CCOC(=O)C(C)OCF b72a5184b9f7f92b79234cb6ae816d22 [0,2,0,0,0,0|0,1,0]=3 466 B9R0.35 CCOC(=O)C(F)NC#N 780a3fcc82f05a86955009920994f533 [0,2,0,0,0,0|1,0,1]=4 467 B9R0.35 CCOC(=O)[C@@H](C)NC#N 4ef4dae9eb48172d3ac21aceb39b4367 [0,2,0,0,0,0|1,0,0]=3 468 B9R0.35 CCOC(=O)[C@@H](C)NC=O 0f9df579f01069965cc9e83014d5c672 [0,2,0,0,0,0|0,1,0]=3 469 B9R0.35 CCOC(=O)[C@@H](C)NCF a34a0072dde6c8449b3b5e27f2813cc5 [0,2,0,0,0,0|1,0,0]=3 470 B9R0.35 CCOC(=O)[C@@H](C)NCO 3ba9ba881d44f88d48cc363193979b75 [0,2,0,0,0,0|0,1,0]=3 471 B9R0.35 CCOC(=O)[C@@H](C)OCC 631e97abb6fd65233abf22b379a869bf [0,2,0,0,0,0|0,1,0]=3 472 B9R0.35 CCOC(=O)[C@@H](C)OCF db29af7be0cd6ce5187adc16610b9c75 [0,2,0,0,0,0|0,1,0]=3 473 B9R0.35 CCOC(=O)[C@H](C)NC#N e05af30a41b2e2170a2cd5e6b335fdff [0,2,0,0,0,0|1,0,0]=3 474 B9R0.35 CCOC(=O)[C@H](C)OCC 62fff8344bfc0cb3adfb9e62dd68064a [0,2,0,0,0,0|0,1,0]=3 475 B9R0.35 CCOC(=O)[C@H](C)OCF 58d923bf5f6e3bf0a31b0bd24fb6ba13 [0,2,0,0,0,0|0,1,0]=3 476 B9R0.3 CC(C)(C)C(=O)COCF a8122dd1df480095c0ba0a840eb0bb21 [0,2,0,0,0,0|2,0,0]=4 477 B9R0.3 CC(F)(F)C(=O)NCCBr 2e4ae630bff138d4617f4dc73d59c9f1 [0,2,0,0,0,0|2,0,0]=4 478 B9R0.3 CC(F)(F)C(=O)NCCF 3898f4088c2ba8f050ef8b7d35ba4226 [0,2,0,0,0,0|2,0,0]=4 479 B9R0.3 CC(F)(F)C(=O)NCCI 73350359fc0cec333c7cdff51d5673b8 [0,2,0,0,0,0|2,0,0]=4 480 B9R0.3 CC(F)(F)C(=O)NCCO f70c5fc0b9d27bad99032ca0c35d021e [0,2,0,0,0,0|2,0,0]=4 481 B9R0.3 CC(F)(F)C(=O)NCCS 6ce5476b257d08ca04bb82810a308c57 [0,2,0,0,0,0|2,0,0]=4 482 B9R0.3 CCCNC(=O)C(C)(F)F 3b4dbd8ece0a0dec660354f332a9f039 [0,2,0,0,0,0|2,0,0]=4 483 B9R0.3 CCNCC(=O)C(C)(C)C 43192eddd7a5b105ba6a0630938b15a6 [0,2,0,0,0,0|2,0,0]=4 484 B9R0.3 CCOCC(=O)C(C)(C)C 9a9b9f98f72d0dc2b8e97c09f87efe0c [0,2,0,0,0,0|1,0,0]=3 485 B9R0.3 CCOCC(=O)C(F)(F)F 88bf2717a5dc39ccaa769bfb280ca626 [0,2,0,0,0,0|2,0,0]=4 486 B9R0.7 C=C(Br)CNC(=O)C(C)S 92736c5c862ac88f3042fcb8a43fc6c2 [0,2,0,0,0,0|1,0,1]=4 487 B9R0.7 C=C(C)CNC(=O)C(C)F 167bb394d23ad1433eb0a830432c4cb8 [0,2,0,0,0,0|2,0,0]=4 488 B9R0.7 C=C(C)CNC(=O)C(C)O 5197642b0a02950c7b3598ea38bffb80 [0,2,0,0,0,0|1,1,0]=4 489 B9R0.7 C=C(C)CNC(=O)C(C)S 165cfbfe1c3a17dfbf079abb026053b7 [0,2,0,0,0,0|1,0,0]=3 490 B9R0.7 C=C(C)CNC(=O)[C@@H](C)F 0b6f0d31de1de7335cbaab9a6a40ce4d [0,2,0,0,0,0|2,0,0]=4 491 B9R0.7 C=C(C)CNC(=O)[C@@H](C)O 1d8e8028d3635c4ff87144c843cd8e93 [0,2,0,0,0,0|1,1,0]=4 492 B9R0.7 C=C(C)CNC(=O)[C@H](C)F 0b4d448461f510143a2f162da40880eb [0,2,0,0,0,0|2,0,0]=4 493 B9R0.7 C=C(C)CNC(=O)[C@H](C)O 19182a816c133669e25e41d39bb0fa40 [0,2,0,0,0,0|1,1,0]=4 494 B9R0.7 C=C(C)COC(C)C(C)S d676d1f02fa2c0265479abeaa3cf68d6 [0,2,0,0,0,0|1,0,1]=4 495 B9R0.7 CC(=O)C(=O)COC(C)C 54d4688b93c903c69f0b1be1e953d6a6 [0,2,0,0,0,0|0,1,1]=4 496 B9R0.7 CC(=O)CNC(=O)C(C)F c8fd8621d46fbb1d33b1da8b3d9556c9 [0,2,0,0,0,0|2,0,0]=4 497 B9R0.7 CC(=O)CNC(=O)C(C)O 0a8f7b5d647bbfc7a4f1e418388be7b2 [0,2,0,0,0,0|1,1,0]=4 498 B9R0.7 CC(=O)CNC(=O)C(C)S 886081471b35456f10fe336513046676 [0,2,0,0,0,0|1,0,0]=3 499 B9R0.7 CC(=O)CNC(=O)[C@@H](C)F adc2865236bc1aebb56e1a6c96399b3c [0,2,0,0,0,0|2,0,0]=4 500 B9R0.7 CC(=O)CNC(=O)[C@@H](C)O 3522f76a289d3c89064e958894fb4818 [0,2,0,0,0,0|1,1,0]=4 501 B9R0.7 CC(=O)CNC(=O)[C@H](C)F 0fdaed36e4abb93ff2e398f0c35fa2d2 [0,2,0,0,0,0|2,0,0]=4 502 B9R0.7 CC(=O)CNC(=O)[C@H](C)O 747d394a60c6bc0f616f94dfa4a50655 [0,2,0,0,0,0|1,1,0]=4 503 B9R0.7 CC(C)CNC(=O)C(C)F 542d23a3c159a4f5c1a83e3a266275e5 [0,2,0,0,0,0|2,0,0]=4 504 B9R0.7 CC(C)CNC(=O)C(C)O 824ae61acdea08c9bd71ea8b6fff62a0 [0,2,0,0,0,0|1,1,0]=4 505 B9R0.7 CC(C)CNC(=O)C(C)S e9f0db9c77d7c340a727bb3812bf826e [0,2,0,0,0,0|1,0,0]=3 506 B9R0.7 CC(C)CNC(=O)[C@@H](C)F 617115b61bd546ae08eb62c321ff64f3 [0,2,0,0,0,0|2,0,0]=4 507 B9R0.7 CC(C)CNC(=O)[C@@H](C)O 17aeb1d128cd80daef5a41d9ad7196e8 [0,2,0,0,0,0|1,1,0]=4 508 B9R0.7 CC(C)CNC(=O)[C@H](C)F 5e2dcf69c5c319b90b8e3c8d4e1a7bed [0,2,0,0,0,0|2,0,0]=4 509 B9R0.7 CC(C)CNC(=O)[C@H](C)O 31e4964f1a128cf48a3cb5e44ffe8955 [0,2,0,0,0,0|1,1,0]=4 510 B9R0.7 CC(C)COC(C)C(C)S c8a4fdb1be7f754afc3154e2a8911115 [0,2,0,0,0,0|1,0,1]=4 511 B9R0.7 CC(C)OCC(=O)C(C)C bf83dd2bb7f01d8b3714fa98562a9bd7 [0,2,0,0,0,0|1,0,0]=3 512 B9R0.7 CC(C)OCC(=O)C(F)F 418ef9a8c52a4f7ca44d2e98ae6605a5 [0,2,0,0,0,0|2,0,0]=4 513 B9R0.7 CC(C)OCC(=O)N(C)C 9d66c4816e421dd52fb4d02dee5a641e [0,2,0,0,0,0|2,0,0]=4 514 B9R0.7 CC(F)C(=O)NCC(F)F 670fee7cc0ba23c76d7e7334d8b871b8 [0,2,0,0,0,0|2,0,0]=4 515 B9R0.7 CC(F)C(=O)NC[C@@H](C)O 7567940afe7d15174b1504b3358541cb [0,2,0,0,0,0|2,0,0]=4 516 B9R0.7 CC(F)C(=O)NC[C@H](C)O 1dc56f4d9d160668d8a08223e3617390 [0,2,0,0,0,0|2,0,0]=4 517 B9R0.7 CC(O)C(=O)NCC(F)F c9cbf32676de9353e768ddbccaafc659 [0,2,0,0,0,0|1,1,0]=4 518 B9R0.7 CC(O)C(=O)NC[C@@H](C)O ea3278851abace00135f5a6fcb8ce95e [0,2,0,0,0,0|1,1,0]=4 519 B9R0.7 CC(O)C(=O)NC[C@H](C)O 784eee82e548f71c8388d51393f8e431 [0,2,0,0,0,0|1,1,0]=4 520 B9R0.7 CC(O)CNC(=O)C(C)F 7bc805af2422426847d2ddec4b0d0ec5 [0,2,0,0,0,0|2,0,0]=4 521 B9R0.7 CC(O)CNC(=O)C(C)O ce36693b027dcd161db42073b89d8723 [0,2,0,0,0,0|1,1,0]=4 522 B9R0.7 CC(O)CNC(=O)C(C)S 0310cdca6fc7815b5d7a1494facfc170 [0,2,0,0,0,0|1,0,0]=3 523 B9R0.7 CC(O)CNC(=O)[C@@H](C)F c904a630475584e641643e32c7cf1609 [0,2,0,0,0,0|2,0,0]=4 524 B9R0.7 CC(O)CNC(=O)[C@@H](C)O 6cced7bdfccc8e476b85f79247d4bb8f [0,2,0,0,0,0|1,1,0]=4 525 B9R0.7 CC(O)CNC(=O)[C@H](C)F 084b08c7228924f996527de3d9edb8c8 [0,2,0,0,0,0|2,0,0]=4 526 B9R0.7 CC(O)CNC(=O)[C@H](C)O 8cd8b6ccad48c2d1a4b9e871353a3fe9 [0,2,0,0,0,0|1,1,0]=4 527 B9R0.7 CC(S)C(=O)NCC(=O)N 59e1f032a2035a59926a12f9112a438d [0,2,0,0,0,0|1,0,1]=4 528 B9R0.7 CC(S)C(=O)NCC(F)F 0b3bce40421817ca17661a5fd1a3687b [0,2,0,0,0,0|1,0,0]=3 529 B9R0.7 CC(S)C(=O)NC[C@@H](C)O 0c8cb9d83c2437d1683d7bec00852f8d [0,2,0,0,0,0|1,0,0]=3 530 B9R0.7 CC(S)C(=O)NC[C@H](C)O 6c7b408ad33f9b889b8d325ac0f56488 [0,2,0,0,0,0|1,0,0]=3 531 B9R0.7 CC(S)C(C)OCC(F)F 9e7be3d58148392d474548c00f5f8e5c [0,2,0,0,0,0|1,0,1]=4 532 B9R0.7 CC(S)C(C)OCN(C)C 49babfe7f3660ec8202cb10c0054f33b [0,2,0,0,0,0|1,0,1]=4 533 B9R0.7 C[C@@H](F)C(=O)NCC(F)F 72bfe9618ad2402914917ccf587f3903 [0,2,0,0,0,0|2,0,0]=4 534 B9R0.7 C[C@@H](O)C(=O)NCC(F)F ae2c0e08a07f602643505228049bf7c2 [0,2,0,0,0,0|1,1,0]=4 535 B9R0.7 C[C@@H](O)CNC(=O)[C@@H](C)F c5dc401c250430b754dea7f65ee3d445 [0,2,0,0,0,0|2,0,0]=4 536 B9R0.7 C[C@@H](O)CNC(=O)[C@@H](C)O 1be6c840a53643f7913f14502d370f2e [0,2,0,0,0,0|1,1,0]=4 537 B9R0.7 C[C@H](F)C(=O)NCC(F)F 3f6a02a6a85856fe8338d7ed05365781 [0,2,0,0,0,0|2,0,0]=4 538 B9R0.7 C[C@H](F)C(=O)NC[C@@H](C)O 9594ca227982ddee203092475f32a3d4 [0,2,0,0,0,0|2,0,0]=4 539 B9R0.7 C[C@H](O)C(=O)NCC(F)F 95e6f496cfd7facc65fdc22187617e09 [0,2,0,0,0,0|1,1,0]=4 540 B9R0.7 C[C@H](O)C(=O)NC[C@@H](C)O 45fbc581972e620fcb82b944a76cfe28 [0,2,0,0,0,0|1,1,0]=4 541 B9R0.7 C[C@H](O)CNC(=O)[C@@H](C)F 07244413063ca5177fe2787b8b9e52ed [0,2,0,0,0,0|2,0,0]=4 542 B9R0.7 C[C@H](O)CNC(=O)[C@@H](C)O 45097f91eb8be3166760957082fec8d1 [0,2,0,0,0,0|1,1,0]=4 543 B9R0.7 C[C@H](O)CNC(=O)[C@H](C)F 48810d206a2cf78f047add0e3266bff2 [0,2,0,0,0,0|2,0,0]=4 544 B9R0.7 C[C@H](O)CNC(=O)[C@H](C)O e613db5964a9292836ffba102e5a807f [0,2,0,0,0,0|1,1,0]=4 545 B9R0.13 CC(C)C(C=O)OCCF 201dfe0c5cdb3ffa1ea725e5c3452e52 [0,2,0,0,0,0|1,0,1]=4 546 B9R0.13 CC(C)C(C=O)OCCS 91b80725008b1c8d183a083ca2808ac0 [0,2,0,0,0,0|1,0,1]=4 547 B9R0.13 CCCOC(C=O)C(C)C 9fb3db273830a08549fa464487c1afa9 [0,2,0,0,0,0|1,0,1]=4 548 B9R0.13 COCOC(C=O)C(C)C 578829bcc2f5be7b654a9fce0b976ff2 [0,2,0,0,0,0|1,0,1]=4 549 B9R0.42 C#CC(C)NC(=O)C(C)F 2e90a5a1727221c2ad8067ffa817f8db [0,2,0,0,0,0|2,0,0]=4 550 B9R0.42 C#CC(C)NC(=O)C(C)O 16b223c6cc237a61b0f28173a4a97165 [0,2,0,0,0,0|1,1,0]=4 551 B9R0.42 C#CC(C)NC(=O)C(C)S 46c4c8de8210efe7c09b3cf8e94a14e4 [0,2,0,0,0,0|1,0,0]=3 552 B9R0.42 C#CC(C)NC(=O)[C@@H](C)F 82c11e3dbdf83ae8202e60c95a71e403 [0,2,0,0,0,0|2,0,0]=4 553 B9R0.42 C#CC(C)NC(=O)[C@@H](C)O 372d827d34e7b0da0696c7f9884072cc [0,2,0,0,0,0|1,1,0]=4 554 B9R0.42 C#CC(C)NC(=O)[C@H](C)F ac7cdea45b5d286b46bd533b765877f7 [0,2,0,0,0,0|2,0,0]=4 555 B9R0.42 C#CC(C)NC(=O)[C@H](C)O 493355c8d1a8a30b2c4be3c068b6b911 [0,2,0,0,0,0|1,1,0]=4 556 B9R0.42 C#CC(C)OC(C)C(C)S 79d05cd6e05689ce2614f4559564dbf6 [0,2,0,0,0,0|1,0,1]=4 557 B9R0.42 C#C[C@@H](C)NC(=O)C(C)F 68dc360eba6dd75b8c3e3587ffc994c3 [0,2,0,0,0,0|2,0,0]=4 558 B9R0.42 C#C[C@@H](C)NC(=O)C(C)O 6a30183b4799c39bcd713b6e9a3a3c20 [0,2,0,0,0,0|1,1,0]=4 559 B9R0.42 C#C[C@@H](C)NC(=O)C(C)S 1e43cad79ac0fa64db363246c94c470f [0,2,0,0,0,0|1,0,0]=3 560 B9R0.42 C#C[C@@H](C)NC(=O)[C@@H](C)F 435c5fb0dacc0fd4ef537c629577b2f2 [0,2,0,0,0,0|2,0,0]=4 561 B9R0.42 C#C[C@@H](C)NC(=O)[C@@H](C)O 5534308db3b89e1a52c89e1d2391bb03 [0,2,0,0,0,0|1,1,0]=4 562 B9R0.42 C#C[C@@H](C)NC(=O)[C@H](C)F ea7f9d2c7a60fc5285e6622a068afe02 [0,2,0,0,0,0|2,0,0]=4 563 B9R0.42 C#C[C@@H](C)NC(=O)[C@H](C)O 7b1f560d54cdb4adada4ab18b188bcf2 [0,2,0,0,0,0|1,1,0]=4 564 B9R0.42 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C/C=C/COC(C)C(C)S 949aad3ea19333c817a807c6ad76ca75 [0,2,0,0,0,0|1,0,1]=4 643 B9R0.47 C/C=C\COC(C)C(C)S 1cd848e28c7021f43158ae42e9aaab8d [0,2,0,0,0,0|1,0,1]=4 644 B9R0.47 C=CCCNC(=O)C(C)F ff86d15eef82ca0a699251be8fd9e9ba [0,2,0,0,0,0|2,0,0]=4 645 B9R0.47 C=CCCNC(=O)C(C)O 1ca0edbbe3b47d91547b8ef76b8f4ee9 [0,2,0,0,0,0|1,1,0]=4 646 B9R0.47 C=CCCNC(=O)C(C)S e55b7d3bf583e8f7cd2138ab46258d2a [0,2,0,0,0,0|1,0,0]=3 647 B9R0.47 C=CCCNC(=O)[C@@H](C)F d9f0cccdda9182b086570f431cdc2bfc [0,2,0,0,0,0|2,0,0]=4 648 B9R0.47 C=CCCNC(=O)[C@@H](C)O 0c321027fadd510faa3631cb2beb879a [0,2,0,0,0,0|1,1,0]=4 649 B9R0.47 C=CCCNC(=O)[C@H](C)F 2e76f30710aaff551b3a7a43bffb8b95 [0,2,0,0,0,0|2,0,0]=4 650 B9R0.47 C=CCCNC(=O)[C@H](C)O 07d9880cc32225414789eef6e92fa9d7 [0,2,0,0,0,0|1,1,0]=4 651 B9R0.47 C=CCCOC(C)C(C)S 6ee9b6837c935e9737dfd2c6a0edc497 [0,2,0,0,0,0|1,0,1]=4 652 B9R0.47 CC(=O)C(=O)COCCF 378c06b0db0803ebcd6c97d1b308e70a [0,2,0,0,0,0|0,1,1]=4 653 B9R0.47 CC(=O)C(=O)COCCS 97aafe4148347becc65789acfd98e2d3 [0,2,0,0,0,0|0,1,1]=4 654 B9R0.47 CC(C)C(=O)CNCCBr 7861f5691361202d99f638d51318ed3f [0,2,0,0,0,0|2,0,0]=4 655 B9R0.47 CC(C)C(=O)CNCCF c623b9b39c19992dfb85b72021afcb30 [0,2,0,0,0,0|2,0,0]=4 656 B9R0.47 CC(C)C(=O)CNCCI 31a0207b7e1834b43a508a41413b1cef [0,2,0,0,0,0|2,0,0]=4 657 B9R0.47 CC(C)C(=O)CNCCO 77f1ca01ccc1a4f71498efae73b56eab [0,2,0,0,0,0|2,0,0]=4 658 B9R0.47 CC(C)C(=O)CNCCS 31dcf6856c4f84aeee1aa03d57469bd5 [0,2,0,0,0,0|2,0,0]=4 659 B9R0.47 CC(C)C(=O)COCC#N 4d17d137f1dbfe6b6d9ea1b2433015f4 [0,2,0,0,0,0|1,0,1]=4 660 B9R0.47 CC(C)C(=O)COCCF 4f1bc9b8b539d5dae28f6e74704c52f8 [0,2,0,0,0,0|1,0,0]=3 661 B9R0.47 CC(C)C(=O)COCCS 727a9cc3d8a2ba13aba168e13d3ab5e9 [0,2,0,0,0,0|1,0,0]=3 662 B9R0.47 CC(C)C(=O)NCOCF e208b8d834a7656e44768e36f828e623 [0,2,0,0,0,0|2,0,0]=4 663 B9R0.47 CC(C)C(=O)OCNC#N c104f1b0df6b825f9da10fd9051e7592 [0,2,0,0,0,0|1,0,1]=4 664 B9R0.47 CC(F)C(=O)NCCC#N 56c8fd0b084b98ca107f4fb8fbcd16f2 [0,2,0,0,0,0|2,0,0]=4 665 B9R0.47 CC(F)C(=O)NCCCCl dd39fd4847d089b5b80da2f2fba54228 [0,2,0,0,0,0|2,0,0]=4 666 B9R0.47 CC(F)C(=O)NCCCO 75a1b0b6f28692071e2d39b9a389a7d6 [0,2,0,0,0,0|2,0,0]=4 667 B9R0.47 CC(F)C(=O)NCCON cadc09d77705b613f1e03b8ea2e829f5 [0,2,0,0,0,0|2,0,0]=4 668 B9R0.47 CC(O)C(=O)NCCC#N 03cd8bcb8defec4b3f91aea1dc2a2676 [0,2,0,0,0,0|1,1,0]=4 669 B9R0.47 CC(O)C(=O)NCCCCl b92b54d3e462edcfbbc7adb7cf6d5056 [0,2,0,0,0,0|1,1,0]=4 670 B9R0.47 CC(O)C(=O)NCCCO 3fdedfd33420787a61b77feff9284e51 [0,2,0,0,0,0|1,1,0]=4 671 B9R0.47 CC(O)C(=O)NCCON 447aa2a2366f700fc2c456ebf66e41c8 [0,2,0,0,0,0|1,1,0]=4 672 B9R0.47 CC(S)C(=O)NCCC#N 7e99ec509018690aa6134a69a9fe5197 [0,2,0,0,0,0|1,0,0]=3 673 B9R0.47 CC(S)C(=O)NCCCCl 05d734958061f98542b34bc840ad141a [0,2,0,0,0,0|1,0,0]=3 674 B9R0.47 CC(S)C(=O)NCCCO 9c9a756ca302f24d018e148f7ef8d2f1 [0,2,0,0,0,0|1,0,0]=3 675 B9R0.47 CC(S)C(=O)NCCON 5ba201c983ec0f36aa91835ff2688a32 [0,2,0,0,0,0|1,0,0]=3 676 B9R0.47 CC(S)C(C)OCCC#N a892100a5ec02ea28e6763bea4a91c06 [0,2,0,0,0,0|1,0,1]=4 677 B9R0.47 CC(S)C(C)OCCC=O b2dd92e3550ed10dbc7ca2dbd1475bc3 [0,2,0,0,0,0|1,0,1]=4 678 B9R0.47 CC(S)C(C)OCCCF 9a7a1eda6c6125dc62c4c2118d987410 [0,2,0,0,0,0|1,0,1]=4 679 B9R0.47 CC(S)C(C)OCCCS a1ab188152d396e5e1ef528d97778690 [0,2,0,0,0,0|1,0,1]=4 680 B9R0.47 CC=CCNC(=O)C(C)F 8a58b586046e7cabde70f3a710cca229 [0,2,0,0,0,0|2,0,0]=4 681 B9R0.47 CC=CCNC(=O)C(C)O c28253caedfd89b3e9028d418fa2b7f3 [0,2,0,0,0,0|1,1,0]=4 682 B9R0.47 CC=CCNC(=O)C(C)S c023e34c03aa018084443fb704893bac [0,2,0,0,0,0|1,0,0]=3 683 B9R0.47 CC=CCNC(=O)[C@@H](C)F c7b6589f9b8ac1588eae9b9215e4b2d8 [0,2,0,0,0,0|2,0,0]=4 684 B9R0.47 CC=CCNC(=O)[C@@H](C)O 2edc32fa9e700719f49f219f688c81c2 [0,2,0,0,0,0|1,1,0]=4 685 B9R0.47 CC=CCNC(=O)[C@H](C)F f42306ca1ee27d7d49c631e3a28fbe45 [0,2,0,0,0,0|2,0,0]=4 686 B9R0.47 CC=CCNC(=O)[C@H](C)O 7f0c42df980ff5b419e7a53a830bf50f [0,2,0,0,0,0|1,1,0]=4 687 B9R0.47 CCCCNC(=O)C(C)F fdb65ff91133c27b3ebb75d20a9f2f4e [0,2,0,0,0,0|2,0,0]=4 688 B9R0.47 CCCCNC(=O)C(C)O 869307c83e8c07004b30ff19276a13f2 [0,2,0,0,0,0|1,1,0]=4 689 B9R0.47 CCCCNC(=O)C(C)S 407fba19f003dbd0035cfcbae9d2b461 [0,2,0,0,0,0|1,0,0]=3 690 B9R0.47 CCCCNC(=O)[C@@H](C)F 802b8883268c6ffd6ce1498e2886bd12 [0,2,0,0,0,0|2,0,0]=4 691 B9R0.47 CCCCNC(=O)[C@@H](C)O 7ecb649f950e3b6c5f53bd62fbec3619 [0,2,0,0,0,0|1,1,0]=4 692 B9R0.47 CCCCNC(=O)[C@H](C)F be2c51c0de91c244b1db314ffeb2bb50 [0,2,0,0,0,0|2,0,0]=4 693 B9R0.47 CCCCNC(=O)[C@H](C)O fd6bb0fb1788b038b750625ab18ad066 [0,2,0,0,0,0|1,1,0]=4 694 B9R0.47 CCCCOC(C)C(C)S caa0a6bcfd86b8ede6e667db0adbb1a2 [0,2,0,0,0,0|1,0,1]=4 695 B9R0.47 CCCNCC(=O)C(C)C ab221357b3690899244bb21efed4f4b7 [0,2,0,0,0,0|2,0,0]=4 696 B9R0.47 CCCOCC(=O)C(=O)C ab7906fc53dd4771247d3e1650b32b1f [0,2,0,0,0,0|0,1,1]=4 697 B9R0.47 CCCOCC(=O)C(C)C 507657e3c567336d1a3cd45ed59e26ae [0,2,0,0,0,0|1,0,0]=3 698 B9R0.47 CCCOCC(=O)C(F)F 5fcdd2fa046b321629c4dd27d8e289d4 [0,2,0,0,0,0|2,0,0]=4 699 B9R0.47 CCCOCC(=O)N(C)C 60bb67d4b12ba83cc5c96b736e14dfde [0,2,0,0,0,0|2,0,0]=4 700 B9R0.47 CCOCCC(=O)N(C)C 1fa443e67dc6c2b4f6ab7a2e8b19188d [0,2,0,0,0,0|2,0,0]=4 701 B9R0.47 CCOCNC(=O)C(C)C 21f2cc42b995e92398f90ebab0ddd36e [0,2,0,0,0,0|1,0,0]=3 702 B9R0.47 CCOCOC(C)C(C)S 8767134046e156c73118a2f3e1f92902 [0,2,0,0,0,0|1,0,1]=4 703 B9R0.47 CN(C)C(=O)COCCF ff2c65ab249b8bbce410e9ac437ea019 [0,2,0,0,0,0|2,0,0]=4 704 B9R0.47 CN(C)C(=O)COCCS bf8750e4cbcdaeb5334b16ef1f5a749a [0,2,0,0,0,0|2,0,0]=4 705 B9R0.47 COCCNC(=O)C(C)F bc4e9d7c52d2c9dc255b10e9390297cb [0,2,0,0,0,0|2,0,0]=4 706 B9R0.47 COCCNC(=O)C(C)O bd8eb58c32ebe9e951d589f141c95141 [0,2,0,0,0,0|1,1,0]=4 707 B9R0.47 COCCNC(=O)C(C)S 877901446246d2e87745fd1379dff32a [0,2,0,0,0,0|1,0,0]=3 708 B9R0.47 COCCNC(=O)[C@@H](C)F 495725064ae3f5a4a7da045df6fbdf77 [0,2,0,0,0,0|2,0,0]=4 709 B9R0.47 COCCNC(=O)[C@@H](C)O 7a8a86452d9621b5e1c18fbcb9ec50d8 [0,2,0,0,0,0|1,1,0]=4 710 B9R0.47 COCCNC(=O)[C@H](C)F 6217dc0226d1d43aafc74cceca41a0da [0,2,0,0,0,0|2,0,0]=4 711 B9R0.47 COCCNC(=O)[C@H](C)O 4485241eb055d94366ddc2cb35c0e7d2 [0,2,0,0,0,0|1,1,0]=4 712 B9R0.47 COCCOC(C)C(C)S 439900a7618a130eed37e203cc548808 [0,2,0,0,0,0|1,0,1]=4 713 B9R0.47 COCOCC(=O)C(=O)C 6fb590035196a179937faad388dc9d16 [0,2,0,0,0,0|0,1,1]=4 714 B9R0.47 COCOCC(=O)C(C)C 290c28c668560071f1675bdabb074833 [0,2,0,0,0,0|1,0,0]=3 715 B9R0.47 COCOCC(=O)C(F)F 766cf030a3b8095b7edba841ca65ebb5 [0,2,0,0,0,0|2,0,0]=4 716 B9R0.47 COCOCC(=O)N(C)C e768e1a20c3dc6484d2d24ffa5e965a1 [0,2,0,0,0,0|2,0,0]=4 717 B9R0.47 CSCCNC(=O)C(C)F ee44ac9c3be57939b089791dfbcac985 [0,2,0,0,0,0|2,0,0]=4 718 B9R0.47 CSCCNC(=O)C(C)O 2fca3a63eda15c01cfa499c290367943 [0,2,0,0,0,0|1,1,0]=4 719 B9R0.47 CSCCNC(=O)C(C)S 5d659e6574e55e6387186ac6e83082fe [0,2,0,0,0,0|1,0,0]=3 720 B9R0.47 CSCCNC(=O)[C@@H](C)F 98d506db497bf2e809fefc12f1d0924d [0,2,0,0,0,0|2,0,0]=4 721 B9R0.47 CSCCNC(=O)[C@@H](C)O 8feb4ed6a2e9dced3d478d495b9c087b [0,2,0,0,0,0|1,1,0]=4 722 B9R0.47 CSCCNC(=O)[C@H](C)F 98797268d912f77241e8b23dbb46bb21 [0,2,0,0,0,0|2,0,0]=4 723 B9R0.47 CSCCNC(=O)[C@H](C)O 0c0f478c1f70984ae691f560cea18521 [0,2,0,0,0,0|1,1,0]=4 724 B9R0.47 CSCCOC(C)C(C)S 5d7e0214533ef33215047728901f2c95 [0,2,0,0,0,0|1,0,1]=4 725 B9R0.47 CSCOCC(=O)N(C)C 62edd7c85dafe5713097af24db3df4d6 [0,2,0,0,0,0|2,0,0]=4 726 B9R0.47 C[C@@H](F)C(=O)NCCC#N 890140422084894fa170ae0e55f75671 [0,2,0,0,0,0|2,0,0]=4 727 B9R0.47 C[C@@H](F)C(=O)NCCCCl 0f687453876e341e0338927b09f98f43 [0,2,0,0,0,0|2,0,0]=4 728 B9R0.47 C[C@@H](F)C(=O)NCCCO 62f9639804f2056febeaeb7be2119839 [0,2,0,0,0,0|2,0,0]=4 729 B9R0.47 C[C@@H](F)C(=O)NCCON 52f8d21fdc7bedd1a8249a45d83808e5 [0,2,0,0,0,0|2,0,0]=4 730 B9R0.47 C[C@@H](O)C(=O)NCCC#N c29075309259cc0203b9af481c19d907 [0,2,0,0,0,0|1,1,0]=4 731 B9R0.47 C[C@@H](O)C(=O)NCCCCl a6702461d3fd3fa4afee1459854a6f9e [0,2,0,0,0,0|1,1,0]=4 732 B9R0.47 C[C@@H](O)C(=O)NCCCO ee0f9b9b65d12aee93b8ff8a8f4ba165 [0,2,0,0,0,0|1,1,0]=4 733 B9R0.47 C[C@@H](O)C(=O)NCCON 68cc04fa6d8112848d5421c852e2f6c9 [0,2,0,0,0,0|1,1,0]=4 734 B9R0.47 C[C@H](F)C(=O)NCCC#N 7b5fa823cfa077c8e79845c2c169d41b [0,2,0,0,0,0|2,0,0]=4 735 B9R0.47 C[C@H](F)C(=O)NCCCCl 12149940e4080c7cd54998354fd6efc9 [0,2,0,0,0,0|2,0,0]=4 736 B9R0.47 C[C@H](F)C(=O)NCCCO 9dde54e7fd3c0a23864d20db6fce9f83 [0,2,0,0,0,0|2,0,0]=4 737 B9R0.47 C[C@H](F)C(=O)NCCON 74b21c4ff76b2cd369c714ea5980a9de [0,2,0,0,0,0|2,0,0]=4 738 B9R0.47 C[C@H](O)C(=O)NCCC#N 2cd18b3cf73f58c40c886ec03d3e894e [0,2,0,0,0,0|1,1,0]=4 739 B9R0.47 C[C@H](O)C(=O)NCCCCl caaf0f9b5063d2d2ad2615c9eade8535 [0,2,0,0,0,0|1,1,0]=4 740 B9R0.47 C[C@H](O)C(=O)NCCCO 4f765bc105a804c3c1972b22e3f801a1 [0,2,0,0,0,0|1,1,0]=4 741 B9R0.47 C[C@H](O)C(=O)NCCON 4f9702d991d544f08043ddfce21c3249 [0,2,0,0,0,0|1,1,0]=4 742 B9R0.47 O=C(COCCS)C(F)F 04ad0b349d3c4c166f1eb15c48b17e84 [0,2,0,0,0,0|2,0,0]=4 743 B9R0.33 CCOC(C(=O)O)C(C)C f9e81252a6b83ef8664916007b0bb218 [0,2,0,0,0,0|1,0,1]=4 744 B9R0.33 CCO[C@@H](C(=O)O)C(C)C d82604a1fc5baa1b48a976c9d8478893 [0,2,0,0,0,0|1,0,1]=4 745 B9R0.33 CCO[C@H](C(=O)O)C(C)C dbe5d9658ce7f33be6cf9da2545d5a5d [0,2,0,0,0,0|1,0,1]=4 746 B9R0.39 CC(C)OC(C=O)C(C)C 5d3849c63afd359bbe07b421d5f4a46d [0,2,0,0,0,0|1,0,1]=4 747 B9R0.57 CC(O)C(=O)NC(C)(C)C 23056aec6da4db3d41ef8425650e1c1d [0,2,0,0,0,0|1,1,0]=4 748 B9R0.57 CC(S)C(=O)NC(C)(C)C 638476d0e056160f1b0126658c4ee3f9 [0,2,0,0,0,0|1,0,0]=3 749 B9R0.57 C[C@@H](O)C(=O)NC(C)(C)C 011e2a2d596841785fd47ad3800ff62c [0,2,0,0,0,0|1,1,0]=4 750 B9R0.57 C[C@H](O)C(=O)NC(C)(C)C 22b1603c55a416aee9c4d4a4668c1753 [0,2,0,0,0,0|1,1,0]=4 751 B7R1.6 CCOC1CCC1 1be1aa1621ba0b71d53802beb6ef9946 [1,0,0,1,0,0|1,0,1]=4 752 B7R1.6 CCOC1CSC1 e43094097e190583d3451ab95271420f [1,0,0,1,0,0|1,0,1]=4 753 B7R1.7 CCOCC1CC1 744f8109a21f695c28440e411c1b9ca0 [1,0,0,1,0,0|1,0,1]=4 754 B9R1.75 CCCC(=O)NC1CC1 028552bd156ea71ac79a63cdced96f76 [0,0,0,1,0,1|2,0,0]=4 755 B9R1.110 CC(F)C(=O)N1CCC1 8f91c5a12e8b961bac4adc7896880de8 [0,1,0,1,0,0|2,0,0]=4 756 B9R1.110 CC(O)C(=O)N1CCC1 9e4aade68272a8e199070867244c4269 [0,1,0,1,0,0|1,1,0]=4 757 B9R1.110 CC(S)C(=O)N1CCC1 8c324525feee81d16951ce8f1e079457 [0,1,0,1,0,0|1,0,0]=3 758 B9R1.110 C[C@@H](F)C(=O)N1CCC1 52e439b2210b22b14596d5594b0801af [0,1,0,1,0,0|2,0,0]=4 759 B9R1.110 C[C@@H](O)C(=O)N1CCC1 231b5601d9b62a276083865dcc85f8a4 [0,1,0,1,0,0|1,1,0]=4 760 B9R1.110 C[C@H](F)C(=O)N1CCC1 de0d30ef6fb990c7a92c58c7e04c983f [0,1,0,1,0,0|2,0,0]=4 761 B9R1.110 C[C@H](O)C(=O)N1CCC1 0003c4ebc6bf08459b6e8daca27eb658 [0,1,0,1,0,0|1,1,0]=4 762 B9R1.100 CCOCC(=O)C1CC1 b9194438dffcb8b1a607cfe8f059893d [0,1,0,1,0,0|1,0,0]=3 763 B9R1.100 O=C(COCF)C1CC1 6391bb6513567f7388771542b505bad8 [0,1,0,1,0,0|2,0,0]=4 764 B9R1.112 CC(F)C(=O)NC1CC1 b8ecf046725f2a5fab98b1116b743125 [0,1,0,1,0,0|2,0,0]=4 765 B9R1.112 CC(O)C(=O)NC1CC1 6998829b9d00b08fcc68371db3aeed09 [0,1,0,1,0,0|1,1,0]=4 766 B9R1.112 CC(S)C(=O)NC1CC1 d7143a0b3b647941baeca87fea3e603c [0,1,0,1,0,0|1,0,0]=3 767 B9R1.112 CC(S)C(C)OC1CC1 f85297863aa3cd5e897c4adeed42047b [0,1,0,1,0,0|1,0,1]=4 768 B9R1.112 C[C@@H](F)C(=O)NC1CC1 524bfde810f45a0358dead993190a61e [0,1,0,1,0,0|2,0,0]=4 769 B9R1.112 C[C@@H](O)C(=O)NC1CC1 087b02e36f5bcb44c0f78a2ced86b088 [0,1,0,1,0,0|1,1,0]=4 770 B9R1.112 C[C@H](F)C(=O)NC1CC1 1f5bda051bb0896d422be44896865341 [0,1,0,1,0,0|2,0,0]=4 771 B9R1.112 C[C@H](O)C(=O)NC1CC1 7b28e7c5360fdc94ee42f7df68ea800f [0,1,0,1,0,0|1,1,0]=4 772 B9R0.48 CCCC(=O)COC(C)C bda6e210e89c477f850b0ed2f7c35c92 [0,0,0,0,0,2|2,0,0]=4 773 B9R0.48 CCCC(=O)NCC(C)C 7be62da310536c4ced65314ef5418719 [0,0,0,0,0,2|2,0,0]=4 774 B9R0.48 CCCC(=O)NCC(C)O ba53379307f7ae08a2b5b3adca0ac823 [0,0,0,0,0,2|1,1,0]=4 775 B9R0.48 CCCC(=O)NC[C@@H](C)O 2eea508114803a331a902914666075a1 [0,0,0,0,0,2|1,1,0]=4 776 B9R0.48 CCCC(=O)NC[C@H](C)O b4f7691f264345400cd9717008b17039 [0,0,0,0,0,2|1,1,0]=4 777 B9R0.48 CCNC(=O)CNC(C)C e4859b939cf74625a255ec0cb59c0de7 [0,0,0,0,0,2|2,0,0]=4 778 B9R0.48 CCNC(=O)COC(C)C c828d8acf61877ee15690716396e9a0a [0,0,0,0,0,2|2,0,0]=4 779 B9R0.48 CCOC(=O)CNC(=O)C eefea8b66cbae53eb0645dbc6dff51ca [0,0,0,0,0,2|0,1,1]=4 780 B9R0.48 CCOC(=O)CNC(C)C 80d7999aed865ea280b457aaf3d32f53 [0,0,0,0,0,2|1,0,0]=3 781 B9R0.48 CCOC(=O)COC(C)C 228e90334048907c42f17a3b8b5d3d98 [0,0,0,0,0,2|1,0,0]=3