0 B6R0.5 CC(C)(C)NC=O fd731f01e449e88bdf1e84dfcee6c8d2 [0,0,0,0,0,0|2,0,2]=4 1 B6R0.5 CC(C)(C)NCF 3cacbed1609b720894d3f72aa5b5474f [0,0,0,0,0,0|3,0,0]=3 2 B6R0.5 CC(C)(C)NCO 98c610d421d69102d9fd33b99f13912a [0,0,0,0,0,0|2,0,0]=2 3 B6R0.5 CCNC(C)(C)C 075494290386c2ca265fcbc967febc26 [0,0,0,0,0,0|3,0,0]=3 4 B5R0.1 CC(C)OCF fea4e57e7bb4fa505ef4ea18bd2ede99 [1,0,0,0,0,0|3,0,0]=4 5 B5R0.1 CCOC(C)C e40579e838af0384b34ea3d488054b89 [1,0,0,0,0,0|3,0,0]=4 6 B7R0.8 C#CCNC(C)(C)C 522c1b0198945b40197251a0ce6943fd [0,1,0,0,0,0|2,0,1]=4 7 B7R0.8 C=CCNC(C)(C)C 6c0b812000d6c6a48de43a4a3f837f6a [0,1,0,0,0,0|2,0,1]=4 8 B7R0.8 CC(C)(Br)COCF a2ed6a616d532f8faaded75f8946e86e [0,1,0,0,0,0|3,0,0]=4 9 B7R0.8 CC(C)(C)CNC#N e3746def965953d68da5bc1a08880c33 [0,1,0,0,0,0|2,0,1]=4 10 B7R0.8 CC(C)(C)CNC=O 62263fecd6dfd3bbe3846c082198510b [0,1,0,0,0,0|1,0,2]=4 11 B7R0.8 CC(C)(C)CNCF b4c56cbeef23e3f51f1c67efe05a42df [0,1,0,0,0,0|2,0,0]=3 12 B7R0.8 CC(C)(C)CNCO c1ca679419b7e4db6816982a0d672727 [0,1,0,0,0,0|1,0,0]=2 13 B7R0.8 CC(C)(C)COCF 57dd80210ffbd1c389fc6f81c3e76251 [0,1,0,0,0,0|2,0,0]=3 14 B7R0.8 CC(C)(C)NCC#N 6217387ab82e36e1bb1074c1f8dc1d53 [0,1,0,0,0,0|2,0,1]=4 15 B7R0.8 CC(C)(C)NCC=O 84f91e0185bc7a8cbf173006cc00a31e [0,1,0,0,0,0|1,0,2]=4 16 B7R0.8 CC(C)(C)NCCF c88c802f8761b836dd4a8f5e773aa49e [0,1,0,0,0,0|2,0,0]=3 17 B7R0.8 CC(C)(C)NCCO 75b47887fe68bbe774c0a4c47f9d7af9 [0,1,0,0,0,0|1,0,0]=2 18 B7R0.8 CC(C)(C)NCCS 135c0df2231a86212e34458e8817f18c [0,1,0,0,0,0|1,1,0]=3 19 B7R0.8 CC(C)(F)COCF c2c8aa5e71579bf523c1627a80567a99 [0,1,0,0,0,0|3,0,0]=4 20 B7R0.8 CC(C)(O)CNCF 95345509a679e8693329bc205f023ca6 [0,1,0,0,0,0|3,0,0]=4 21 B7R0.8 CC(C)(O)CNCO d699f26def379d72c9f3d780e8ba9c29 [0,1,0,0,0,0|2,0,0]=3 22 B7R0.8 CC(C)(S)COCF 5e5d9df6938dea8946b0e42a96b28fba [0,1,0,0,0,0|3,0,0]=4 23 B7R0.8 CCCNC(C)(C)C 1cb59707d776cfed599d4d0bd4c6e7fe [0,1,0,0,0,0|2,0,0]=3 24 B7R0.8 CCNCC(C)(C)C 1a60db159250e75c4f3bd43804435dab [0,1,0,0,0,0|2,0,0]=3 25 B7R0.8 CCNCC(C)(C)O 3f0e3cd5306f6e0eea72b143c91acc39 [0,1,0,0,0,0|3,0,0]=4 26 B7R0.8 CCOCC(C)(C)Br c5fd84cd204c784fac27f51432de2345 [0,1,0,0,0,0|3,0,0]=4 27 B7R0.8 CCOCC(C)(C)C cbc6e6dff9d30de641f2a7020db5e172 [0,1,0,0,0,0|2,0,0]=3 28 B7R0.8 CCOCC(C)(C)F 4ceebf68b1b3af46558065e266734baa [0,1,0,0,0,0|3,0,0]=4 29 B7R0.8 CCOCC(C)(C)S a7e0d94172e2fed0c574a998a7210b49 [0,1,0,0,0,0|3,0,0]=4 30 B7R0.8 COCNC(C)(C)C a4cfaef5ba15ef99baf838799ea7f8ef [0,1,0,0,0,0|2,0,0]=3 31 B7R0.8 CSCNC(C)(C)C f8dc1bf783c8bcac4db13c58c9d3a808 [0,1,0,0,0,0|2,1,0]=4 32 B7R0.9 CC(C)NC(C)(C)C 8a7a846b84a7e272a6ee9556f3179be1 [0,1,0,0,0,0|3,0,0]=4 33 B7R0.11 C#CC(C)(C)NCO fd9eb36b32d713d95dde886926c0c102 [0,1,0,0,0,0|2,0,1]=4 34 B7R0.11 CC(C)(C#N)NCO 4fd94808236110e98a06e3cf014a5bd0 [0,1,0,0,0,0|2,0,1]=4 35 B7R0.11 CC(C)(CF)NCF 0afbbc1eb13e221acd054d95be70b2bb [0,1,0,0,0,0|3,0,0]=4 36 B7R0.11 CC(C)(CF)NCO c940ff355764cfdd76020cc0b4ab5253 [0,1,0,0,0,0|2,0,0]=3 37 B7R0.11 CC(C)(CO)NCF ff77a8ad6259112da8c0c0f8599c831a [0,1,0,0,0,0|3,0,0]=4 38 B7R0.11 CC(C)(CO)NCO 578f64725530e197f863ff1a0df69a3b [0,1,0,0,0,0|2,0,0]=3 39 B7R0.11 CCC(C)(C)NCF 43464e32d81406c57eda8518b346c632 [0,1,0,0,0,0|3,0,0]=4 40 B7R0.11 CCC(C)(C)NCO 5370363c3b1f98f0757110805d0db933 [0,1,0,0,0,0|2,0,0]=3 41 B7R0.11 CCNC(C)(C)CC adae57986ab49a20b402c3b11b898ff8 [0,1,0,0,0,0|3,0,0]=4 42 B7R0.11 CCNC(C)(C)CF bb534d52eb5abb944f47ed497fecbe74 [0,1,0,0,0,0|3,0,0]=4 43 B7R0.11 CCNC(C)(C)CO cfe1036a3afdbdcb353cbcf66ecedd65 [0,1,0,0,0,0|3,0,0]=4 44 B7R0.14 CCN(C)C(C)(C)C b713cbd327d098cb797fd38b303de500 [0,1,0,0,0,0|3,0,0]=4 45 B7R0.14 CN(CF)C(C)(C)C 4c8ae3f84dc11de32f781b27fe629ecc [0,1,0,0,0,0|3,0,0]=4 46 B7R0.14 CN(CO)C(C)(C)C 3ca3e9150fd005aa114afb95e9a613ad [0,1,0,0,0,0|2,0,0]=3 47 B7R1.21 CC1(CC1)NCF ca95094546b9f047a7e9abc6602efda5 [0,0,0,1,0,0|3,0,0]=4 48 B7R1.21 CC1(CC1)NCO 531fb08d002be0f82ba9f2a9eeb36d37 [0,0,0,1,0,0|2,0,0]=3 49 B7R1.21 CCNC1(CC1)C 49ee171fcc771c5e16d08c11c421eefd [0,0,0,1,0,0|3,0,0]=4 50 B7R1.23 CC1(CN1CF)C fef1f23f1b47177073871a5580ee83cf [0,0,0,1,0,0|3,0,0]=4 51 B7R1.23 CC1(CN1CO)C e0279fee84fe6f7f5186cbf1fccd93be [0,0,0,1,0,0|2,0,0]=3 52 B7R1.23 CCN1CC1(C)C c470c4a7bc80dec5721690a60993dfb1 [0,0,0,1,0,0|3,0,0]=4 53 B6R0.1 CC(CO)NCO 220515de56991eed80ebf3de2b03eb11 [1,1,0,0,0,0|2,0,0]=4 54 B6R0.1 CCC(C)NCO 2f150bbe96920869e15d5d5aa816b484 [1,1,0,0,0,0|2,0,0]=4 55 B6R0.1 CCCN(C)CC 063caa89be0fdd356f6455d1751457ac [1,1,0,0,0,0|1,0,1]=4 56 B6R0.1 CCCN(C)CF 5c995bfd39cfefd185b6001ca8e730f3 [1,1,0,0,0,0|1,0,1]=4 57 B6R0.1 CCCN(C)CO fa8c399923bf908abe4d1198e252c43d [1,1,0,0,0,0|1,0,1]=4 58 B6R0.1 CCN(C)CCF 15aa448f2958342e872fe1eff4da2f7c [1,1,0,0,0,0|1,0,1]=4 59 B6R0.1 CCN(C)CCO d3ce6c3bd65198b22911f821b13f3685 [1,1,0,0,0,0|0,0,1]=3 60 B6R0.1 CCN(C)CCS 1ccbd256497b3a342f1d9474525ca49a [1,1,0,0,0,0|0,1,1]=4 61 B6R0.1 CC[C@@H](C)NCO ac0974a6f9b0bb6d16f90be7439490a9 [1,1,0,0,0,0|2,0,0]=4 62 B6R0.1 CC[C@H](C)NCO 3a0d2629be7074b261ab0759e7061769 [1,1,0,0,0,0|2,0,0]=4 63 B6R0.1 CN(C=O)CCO dd7ac64299075a3391875b374e6c88cd [1,1,0,0,0,0|0,0,2]=4 64 B6R0.1 CN(CF)CCF 3637d23f051ca2593a5a5b98ee47a1b5 [1,1,0,0,0,0|1,0,1]=4 65 B6R0.1 CN(CF)CCO 45c87519ddef71b395da19084a38f5b6 [1,1,0,0,0,0|0,0,1]=3 66 B6R0.1 CN(CO)CCF e5dd1ecfdd1f28e155abf2012a360c21 [1,1,0,0,0,0|1,0,1]=4 67 B6R0.1 CN(CO)CCO 54f662b94257417f82a22aa2c84d65c3 [1,1,0,0,0,0|0,0,1]=3 68 B6R0.1 C[C@@H](CO)NCO f2447992c21252c0f96361e913fb5f29 [1,1,0,0,0,0|2,0,0]=4 69 B6R0.1 C[C@H](CO)NCO 8d1246dd802e302de647e53829f5ca23 [1,1,0,0,0,0|2,0,0]=4 70 B6R0.3 CC(C)N(C)CO 68aaa92996932618c2ea955d854bb5c7 [1,1,0,0,0,0|2,0,0]=4 71 B6R0.4 C=C(C)CNCO aed1efb8ed6b634f66b125805c14e3c3 [1,1,0,0,0,0|1,0,1]=4 72 B6R0.4 CC(=O)CNCO 088e087d20fb510bb88def586900e34f [1,1,0,0,0,0|2,0,0]=4 73 B6R0.4 CC(=O)NCCO c7b03ecf194f0f03f4d08fd319920ef5 [1,1,0,0,0,0|2,0,0]=4 74 B6R0.4 CC(C)CNCF 8978b44d87fa42438515590def89eb79 [1,1,0,0,0,0|2,0,0]=4 75 B6R0.4 CC(C)CNCO c3b5fde83cdd81c2f0ea167064fd2c5c [1,1,0,0,0,0|1,0,0]=3 76 B6R0.4 CC(C)COCF b089fa536e65fca20df885ea5dacd9f2 [1,1,0,0,0,0|2,0,0]=4 77 B6R0.4 CC(C)NCCBr a3900e505497b08f4c9baca17b4fa185 [1,1,0,0,0,0|2,0,0]=4 78 B6R0.4 CC(C)NCCF 3152aefd56bd5a8bc9f6ac7f33a6fcdb [1,1,0,0,0,0|2,0,0]=4 79 B6R0.4 CC(C)NCCI 61300b723cb63b92262a59e1c054336d [1,1,0,0,0,0|2,0,0]=4 80 B6R0.4 CC(C)NCCO 3b0ca7166ca7093e2a2ed1b091b6c5af [1,1,0,0,0,0|1,0,0]=3 81 B6R0.4 CC(C)NCCS cdea7056049e21082f31ef0c239da6f7 [1,1,0,0,0,0|1,1,0]=4 82 B6R0.4 CC(C)OCCF 102209588400e8045c1b7317560b3baf [1,1,0,0,0,0|2,0,0]=4 83 B6R0.4 CC(C)OCCS 9f8fcde0a26cdc1f53f7ed80bebd9fd6 [1,1,0,0,0,0|1,1,0]=4 84 B6R0.4 CC(O)CNCO e374449d449cacbe0a46d6d64f7dfbfc [1,1,0,0,0,0|2,0,0]=4 85 B6R0.4 CCCNC(C)C 4cc952815a9d9d6816d0fb90ac14a178 [1,1,0,0,0,0|2,0,0]=4 86 B6R0.4 CCCOC(C)C 9e8901dd10ed96aa593b6a5525365a05 [1,1,0,0,0,0|2,0,0]=4 87 B6R0.4 CCNCC(C)C 7e39c7f79a4a74429f1ae559b7eef67a [1,1,0,0,0,0|2,0,0]=4 88 B6R0.4 CCOCC(C)C 2ccacce0745bb2fe2e67c6f95de49a4c [1,1,0,0,0,0|2,0,0]=4 89 B6R0.4 COCOC(C)C 2db698e0a27d38f57903461e5b8bf21f [1,1,0,0,0,0|2,0,0]=4 90 B6R0.4 C[C@@H](O)CNCO 41205defeb3accd5b70255f13cc7fa6b [1,1,0,0,0,0|2,0,0]=4 91 B6R0.4 C[C@H](O)CNCO 9710122b7591011cacd5f47cf98b8818 [1,1,0,0,0,0|2,0,0]=4 92 B8R0.14 CC(NCF)C(C)(C)C 358579537b59ee8a655532d4ec35c633 [0,2,0,0,0,0|2,0,0]=4 93 B8R0.14 CC(NCO)C(C)(C)C e898d32148e1d41f73c7743f50b1d335 [0,2,0,0,0,0|1,0,0]=3 94 B8R0.14 CC(NCO)C(C)(C)O 71ff243ea13d00b7435eb35a2a2a7e35 [0,2,0,0,0,0|2,0,0]=4 95 B8R0.14 CCCN(C)C(C)(C)C 66f8ccf8a58bf94e8f0f053cd30c7fbc [0,2,0,0,0,0|2,0,0]=4 96 B8R0.14 CCNC(C)C(C)(C)C a395de719817a451126741a1a8b9089d [0,2,0,0,0,0|2,0,0]=4 97 B8R0.14 CCN[C@@H](C)C(C)(C)C 60b26636abd93febc2e508bb5b4ae081 [0,2,0,0,0,0|2,0,0]=4 98 B8R0.14 CCN[C@H](C)C(C)(C)C 83dbf732df99f79e7de5b923e43b9126 [0,2,0,0,0,0|2,0,0]=4 99 B8R0.14 CN(CCF)C(C)(C)C 10ac0375a32526f7ee9ca874c6a4a092 [0,2,0,0,0,0|2,0,0]=4 100 B8R0.14 CN(CCO)C(C)(C)C 71dcaf6ccf6bbe15ff9c5ed7bb381990 [0,2,0,0,0,0|1,0,0]=3 101 B8R0.14 CN(CCS)C(C)(C)C a54c3624aabde5568b6836078b466635 [0,2,0,0,0,0|1,1,0]=4 102 B8R0.14 COCN(C)C(C)(C)C 1a84af87c8aa0aac3aa862672bfd6657 [0,2,0,0,0,0|2,0,0]=4 103 B8R0.14 C[C@@H](NCF)C(C)(C)C 97bb4d692c9d9075061d72297e89be92 [0,2,0,0,0,0|2,0,0]=4 104 B8R0.14 C[C@@H](NCO)C(C)(C)C a1b062293a2904a6c3b021f972e21f75 [0,2,0,0,0,0|1,0,0]=3 105 B8R0.14 C[C@@H](NCO)C(C)(C)O 8d565bfda78ddff256229fd3eca78c75 [0,2,0,0,0,0|2,0,0]=4 106 B8R0.14 C[C@H](NCF)C(C)(C)C 714ba11ea25c1569250ef74b02a87240 [0,2,0,0,0,0|2,0,0]=4 107 B8R0.14 C[C@H](NCO)C(C)(C)C 69711e3f8de7c35c651ecadf6a69f683 [0,2,0,0,0,0|1,0,0]=3 108 B8R0.14 C[C@H](NCO)C(C)(C)O f3b28e41e9e45504211cdfe657b0d9fb [0,2,0,0,0,0|2,0,0]=4 109 B8R0.21 C#CCCNC(C)(C)C b2e6d27f1bf125afb28256a74fd03a11 [0,2,0,0,0,0|2,0,0]=4 110 B8R0.21 C#CCNCC(C)(C)C 6908edb66a41ff712d09399a4cd1876f [0,2,0,0,0,0|2,0,0]=4 111 B8R0.21 C#CCOCC(C)(C)C 25a923fa6d4009deaec88014863673c3 [0,2,0,0,0,0|2,0,0]=4 112 B8R0.21 C=CCCNC(C)(C)C a4869414584c0064a547553365751db6 [0,2,0,0,0,0|2,0,0]=4 113 B8R0.21 C=CCNCC(C)(C)C b5759ab7d0998d378594802a0d0b43d3 [0,2,0,0,0,0|2,0,0]=4 114 B8R0.21 C=CCOCC(C)(C)C 1c78200b7bd7909308849acf7ab86f3e [0,2,0,0,0,0|2,0,0]=4 115 B8R0.21 CC(C)(C)CCNC#N 7468458da44efc538e54933dccf584f7 [0,2,0,0,0,0|2,0,0]=4 116 B8R0.21 CC(C)(C)CCNC=O 10d181a0403fdc263c049f7950d09c8a [0,2,0,0,0,0|1,0,1]=4 117 B8R0.21 CC(C)(C)CCNCF 727151fc1f56830c7d4a5ee2d708953e [0,2,0,0,0,0|2,0,0]=4 118 B8R0.21 CC(C)(C)CCNCO b014078006b71f2e4b73e840c55a1d90 [0,2,0,0,0,0|1,0,0]=3 119 B8R0.21 CC(C)(C)CCOCF 117f6310b19ce3a726ae0691605ada8d [0,2,0,0,0,0|1,0,0]=3 120 B8R0.21 CC(C)(C)CNCC#N 0cc65e4eb028938d596631a3a907c942 [0,2,0,0,0,0|2,0,0]=4 121 B8R0.21 CC(C)(C)CNCC=O 3ad1cf51e607a6beac30c83baeb36c0f [0,2,0,0,0,0|1,0,1]=4 122 B8R0.21 CC(C)(C)CNCCBr ab4f95b3fcb09cc55328f04b3f723b72 [0,2,0,0,0,0|2,0,0]=4 123 B8R0.21 CC(C)(C)CNCCF 3ac2be16de35e3275190d9c2c9f27af8 [0,2,0,0,0,0|2,0,0]=4 124 B8R0.21 CC(C)(C)CNCCI 4dec654e3190096f220e641a067fb0d2 [0,2,0,0,0,0|2,0,0]=4 125 B8R0.21 CC(C)(C)CNCCO 1969be2a44e089e2071e08e64ddba8c7 [0,2,0,0,0,0|1,0,0]=3 126 B8R0.21 CC(C)(C)CNCCS 2a17af39e0cc104c4b56170e9cca99a7 [0,2,0,0,0,0|1,1,0]=4 127 B8R0.21 CC(C)(C)COCC#N 0bafe8fa978f679b4d0da3d83d794c04 [0,2,0,0,0,0|2,0,0]=4 128 B8R0.21 CC(C)(C)COCC=O 452032ec8ec1169c65301506a57f3400 [0,2,0,0,0,0|1,0,1]=4 129 B8R0.21 CC(C)(C)COCCF 3e403c9f0407759665ae1acbd0daaaa9 [0,2,0,0,0,0|2,0,0]=4 130 B8R0.21 CC(C)(C)COCCS f72aa732144b01229f658528676fd8e6 [0,2,0,0,0,0|1,1,0]=4 131 B8R0.21 CC(C)(C)NC/C=C\O da59380b6b417c6f9b52d1ed7eee4d5f [0,2,0,0,0,0|1,0,1]=4 132 B8R0.21 CC(C)(C)NCCC#N 6be1ddbd1fcb345e5f43327c70a25102 [0,2,0,0,0,0|2,0,0]=4 133 B8R0.21 CC(C)(C)NCCC=O 55ce68401173f98bc7370dc4d84bf683 [0,2,0,0,0,0|1,0,1]=4 134 B8R0.21 CC(C)(C)NCCCF f837298a44370ffcc599d31329b616e2 [0,2,0,0,0,0|2,0,0]=4 135 B8R0.21 CC(C)(C)NCCCO b161af4e0b232ec3e3dd48a4f93f64fd [0,2,0,0,0,0|1,0,0]=3 136 B8R0.21 CC(C)(C)NCCCS ccef9f718795f3a35afcfac2261b2a40 [0,2,0,0,0,0|1,1,0]=4 137 B8R0.21 CC(C)(F)CCNCO a9cf27bfe354541c80e743501f86a62f [0,2,0,0,0,0|2,0,0]=4 138 B8R0.21 CC(C)(F)CNCCO 3ffdcadd4c4375266f1503c3a0acf28f [0,2,0,0,0,0|2,0,0]=4 139 B8R0.21 CC(C)(O)CCNCO 2b9aaa913a62fa11814823541928ac4b [0,2,0,0,0,0|2,0,0]=4 140 B8R0.21 CC(C)(O)CNCCO 01ce85d4a372c912a8dbff055728e440 [0,2,0,0,0,0|2,0,0]=4 141 B8R0.21 CC(C)(S)CCOCF cd79d04ca0c7f068343195b33849da0c [0,2,0,0,0,0|2,0,0]=4 142 B8R0.21 CCCCNC(C)(C)C 28a4b19751da411ea1932de53f9b5a28 [0,2,0,0,0,0|2,0,0]=4 143 B8R0.21 CCCNCC(C)(C)C 59a6b09e64c5d3391aa37877dc38b9aa [0,2,0,0,0,0|2,0,0]=4 144 B8R0.21 CCCOCC(C)(C)C 0de7a403f2c2d785211130d0d5ab5eaf [0,2,0,0,0,0|2,0,0]=4 145 B8R0.21 CCNCCC(C)(C)C 2e49fa1e325bc7e3338ce3761b70527c [0,2,0,0,0,0|2,0,0]=4 146 B8R0.21 CCOCCC(C)(C)C 8171a46aec785dff0b2f86cc7d112bde [0,2,0,0,0,0|1,0,0]=3 147 B8R0.21 CCOCCC(C)(C)S 11ce3eba2aa4e1d1be2f2273ddfcde9f [0,2,0,0,0,0|2,0,0]=4 148 B8R0.21 CCOCNC(C)(C)C 123c8781b40b9b149247da282b3d8506 [0,2,0,0,0,0|2,0,0]=4 149 B8R0.21 COCCNC(C)(C)C 1c86e43c36ac2850971123ee7c3f2b8a [0,2,0,0,0,0|1,0,0]=3 150 B8R0.21 COCNCC(C)(C)C 1a4c15bc55d3ea2145a6fc0badab2cef [0,2,0,0,0,0|1,0,0]=3 151 B8R0.21 COCNCC(C)(C)O b0fcf19c1ed04c9dde7445a33a78a5d2 [0,2,0,0,0,0|2,0,0]=4 152 B8R0.21 COCOCC(C)(C)Br 63efb49ff49b06aaec56573fe2ad546a [0,2,0,0,0,0|2,0,0]=4 153 B8R0.21 COCOCC(C)(C)C 9c063bca13d97f8e4e34d03e61a97863 [0,2,0,0,0,0|1,0,0]=3 154 B8R0.21 COCOCC(C)(C)F 4a70f5d548418c67862242f790f03c06 [0,2,0,0,0,0|2,0,0]=4 155 B8R0.21 COCOCC(C)(C)O 0b796b43c3359db91756302629b5b25c [0,2,0,0,0,0|2,0,0]=4 156 B8R0.21 COCOCC(C)(C)S 1e541c110f68cdcdf968afa3c993068b [0,2,0,0,0,0|2,0,0]=4 157 B8R0.21 CSCCNC(C)(C)C 73c3f6545406df670de5f8baeac9e0c3 [0,2,0,0,0,0|1,1,0]=4 158 B8R0.21 CSCNCC(C)(C)C 9957b5133d348cb505544a33bdacff11 [0,2,0,0,0,0|1,1,0]=4 159 B8R0.21 CSCOCC(C)(C)C f7ac26bc8e0c637cb81c5346ce445a3e [0,2,0,0,0,0|1,1,0]=4 160 B8R0.24 CC(C)(C)NC(=O)CO 036f0d5d96292df8d1908352e5576a0c [0,2,0,0,0,0|1,0,1]=4 161 B8R0.24 CC(CO)NC(C)(C)C 11f9cd87e7e88779d0448afb38346b3b [0,2,0,0,0,0|1,0,0]=3 162 B8R0.24 CCC(C)NC(C)(C)C 9130a28867ae8af859d638502ee1fe58 [0,2,0,0,0,0|2,0,0]=4 163 B8R0.24 CCN(C)CC(C)(C)C ad9a32359488b3a57efd7a0f91b8539b [0,2,0,0,0,0|2,0,0]=4 164 B8R0.24 CN(CF)CC(C)(C)C 9e23ef78f39b14552a6f9d73e7c66cf3 [0,2,0,0,0,0|2,0,0]=4 165 B8R0.24 CN(CO)CC(C)(C)C 020da0d415bacf8f04d9191e1f548d64 [0,2,0,0,0,0|1,0,0]=3 166 B8R0.24 CN(CO)CC(C)(C)O 4ec4b35ea89b8c212dd6b9dcb2ce0dcc [0,2,0,0,0,0|2,0,0]=4 167 B8R0.24 C[C@@H](CO)NC(C)(C)C d141aaf7a6b2a27fe74c0077e47372d6 [0,2,0,0,0,0|1,0,0]=3 168 B8R0.24 C[C@H](CO)NC(C)(C)C 3d362a32d372c4ca0a319e4e204feae6 [0,2,0,0,0,0|1,0,0]=3 169 B8R0.25 C#CC(C)(C)NCCO 47a7ad33ccd7ccd598631cfe76b3a8d1 [0,2,0,0,0,0|1,0,1]=4 170 B8R0.25 CC(C)(C#N)CNCO 0c845c5996f10a19ca4238f36b449c96 [0,2,0,0,0,0|1,0,1]=4 171 B8R0.25 CC(C)(C#N)NCCO ee178849779503587c23df89ebeef690 [0,2,0,0,0,0|1,0,1]=4 172 B8R0.25 CC(C)(CF)CNCF 84eb221cce68c62625d021399f8990b4 [0,2,0,0,0,0|2,0,0]=4 173 B8R0.25 CC(C)(CF)CNCO 39f8ce8574bb0a6bcb089afb6adb3e1e [0,2,0,0,0,0|1,0,0]=3 174 B8R0.25 CC(C)(CF)COCF 482691e156d35c244a1c4e2f363b3daf [0,2,0,0,0,0|2,0,0]=4 175 B8R0.25 CC(C)(CF)NCCF 039317224161faec02ed709972b11b70 [0,2,0,0,0,0|2,0,0]=4 176 B8R0.25 CC(C)(CF)NCCO e1d1ab02c87ce6206ec817016421ad89 [0,2,0,0,0,0|1,0,0]=3 177 B8R0.25 CC(C)(CF)NCCS d9285f0a1fc665a866cf6027dbc2a596 [0,2,0,0,0,0|1,1,0]=4 178 B8R0.25 CC(C)(CO)CNCF 7bdd836a70f17db634e10ff6678f5c1a [0,2,0,0,0,0|2,0,0]=4 179 B8R0.25 CC(C)(CO)CNCO 5daf78e188925579f36dd71288d41e30 [0,2,0,0,0,0|1,0,0]=3 180 B8R0.25 CC(C)(CO)NCCF beb47d959f35bde17c1dd1b54f17352f [0,2,0,0,0,0|2,0,0]=4 181 B8R0.25 CC(C)(CO)NCCO cffe5061eef85e6bd8bd20b89965617f [0,2,0,0,0,0|1,0,0]=3 182 B8R0.25 CC(C)(CO)NCCS 17e4759ca8a00fb24c6e7cff22232a1e [0,2,0,0,0,0|1,1,0]=4 183 B8R0.25 CCC(C)(C)CNCF 58f12defab8ffe6e8d3049173caae864 [0,2,0,0,0,0|2,0,0]=4 184 B8R0.25 CCC(C)(C)CNCO 293da36f33b9b0d04d9976fe69f4f5b0 [0,2,0,0,0,0|1,0,0]=3 185 B8R0.25 CCC(C)(C)NCCF 652ca92538a5ec20041f683f6cbb7c38 [0,2,0,0,0,0|2,0,0]=4 186 B8R0.25 CCC(C)(C)NCCO 1fa36b153325fd426754ac4f6e4f58df [0,2,0,0,0,0|1,0,0]=3 187 B8R0.25 CCC(C)(C)NCCS 674c84d3b60f94010dd1dfa057754530 [0,2,0,0,0,0|1,1,0]=4 188 B8R0.25 CCC(C)(C)NCOC 21d1bb34cf9f8920615b600e5d31eade [0,2,0,0,0,0|2,0,0]=4 189 B8R0.25 CCC(C)(O)CNCO 9530219d75896d748ec189a8c2b5a9d7 [0,2,0,0,0,0|2,0,0]=4 190 B8R0.25 CCCNC(C)(C)CC a05a333718f9a19d6720e7defdfcbf9d [0,2,0,0,0,0|2,0,0]=4 191 B8R0.25 CCCNC(C)(C)CF 03d9f97adf7ace167999d784ae1f45be [0,2,0,0,0,0|2,0,0]=4 192 B8R0.25 CCCNC(C)(C)CO c96a4e510c92aa5860ad36e87296bdd6 [0,2,0,0,0,0|2,0,0]=4 193 B8R0.25 CCNCC(C)(C)CC 39ca8cf4f83df1b994d28985cb5193c6 [0,2,0,0,0,0|2,0,0]=4 194 B8R0.25 CCNCC(C)(C)CF 50b4b77bbbcb51bb7a1bbad4cb055fdc [0,2,0,0,0,0|2,0,0]=4 195 B8R0.25 CCNCC(C)(C)CO bbeaca4ba81ce071724a83e21aca8027 [0,2,0,0,0,0|2,0,0]=4 196 B8R0.25 CCNCC(C)(C)OC c3bca34b08f59550af2778bc2b8a901a [0,2,0,0,0,0|2,0,0]=4 197 B8R0.25 CCOCC(C)(C)CF 344a7f1e1a9d805ab8de4049498a57c3 [0,2,0,0,0,0|2,0,0]=4 198 B8R0.25 CCOCC(C)(C)OC b1e241064e68048b57392d53b6432a3b [0,2,0,0,0,0|2,0,0]=4 199 B8R0.25 COC(C)(C)CNCF d244068e69fdac3154ce3fdef6a772f9 [0,2,0,0,0,0|2,0,0]=4 200 B8R0.25 COC(C)(C)CNCO ca38a3f4c7d16b30bb1ac467e5ca4e6e [0,2,0,0,0,0|1,0,0]=3 201 B8R0.25 COC(C)(C)COCF b65fd5cd0e1e7c5f91953260156d8cb0 [0,2,0,0,0,0|2,0,0]=4 202 B8R0.25 COCNC(C)(C)CF 6a43d957d058b05db1cfe410f6c12a37 [0,2,0,0,0,0|2,0,0]=4 203 B8R0.25 COCNC(C)(C)CO d8501271b6bc29f8f048d3bed9d13fd8 [0,2,0,0,0,0|2,0,0]=4 204 B8R0.29 CC(C)(C)NCC(=O)O 139b26a0be92451287fa1082e3371d98 [0,2,0,0,0,0|1,0,1]=4 205 B8R0.29 CC(C)(C)NCC(F)F 84b029ea4fe478b55ecaff8696bc5cb9 [0,2,0,0,0,0|2,0,0]=4 206 B8R0.29 CC(C)CNC(C)(C)C d5528187c7cd3d55e1832d273aedfb46 [0,2,0,0,0,0|2,0,0]=4 207 B8R0.29 CC(C)NCC(C)(C)C 5287cb059296718a8765404b704beb03 [0,2,0,0,0,0|2,0,0]=4 208 B8R0.29 CC(C)OCC(C)(C)C 84196a0326636113906144c210f767a6 [0,2,0,0,0,0|2,0,0]=4 209 B8R0.29 CC(O)CNC(C)(C)C 7b076be22d95a3dbb6fea7a2a6a579cf [0,2,0,0,0,0|1,0,0]=3 210 B8R0.29 C[C@@H](O)CNC(C)(C)C 3acb7b24b939b8a39fd8f4e2037cb442 [0,2,0,0,0,0|1,0,0]=3 211 B8R0.29 C[C@H](O)CNC(C)(C)C 21c328d304469a321a804a1dc49edcf2 [0,2,0,0,0,0|1,0,0]=3 212 B8R0.12 CC(=O)C(C)(C)NCO 3e068c30a895bb404d4fab2097612865 [0,2,0,0,0,0|2,0,0]=4 213 B8R0.12 CC(C)C(C)(C)NCO 2875f554b53b194911bc37d47f5c06eb [0,2,0,0,0,0|2,0,0]=4 214 B8R0.12 CC(O)C(C)(C)NCO 4c5bb84bc31d6332c9413507df128c68 [0,2,0,0,0,0|2,0,0]=4 215 B8R0.13 CCC(C)(C)N(C)CO d0703ea5bab7bc0966dd29588efe5fb9 [0,2,0,0,0,0|2,0,0]=4 216 B8R0.13 CN(CO)C(C)(C)CO a635a6bd9126094d509c7364ffed5d8e [0,2,0,0,0,0|2,0,0]=4 217 B8R0.30 CC(C)(CCO)NC=O 891404ec31955bcc8f89b5b47dc12dc8 [0,2,0,0,0,0|1,0,1]=4 218 B8R0.30 CC(C)(CCO)NCF ba628e269d4b97c188c635a659cd8165 [0,2,0,0,0,0|1,0,0]=3 219 B8R0.30 CC(C)(CCO)NCO 9fce763dfe3847a6458b99e3ba3120db [0,2,0,0,0,0|1,0,0]=3 220 B8R0.30 CCNC(C)(C)CCO fda6997d311c221bbc76b59309e8c52f [0,2,0,0,0,0|1,0,0]=3 221 B8R0.30 COCC(C)(C)NCO ba7c6bbb7fadd2b9312952d951f1d2cd [0,2,0,0,0,0|2,0,0]=4 222 B8R0.30 CSCC(C)(C)NCO fd869fba8b41d45f68ca9540b6b641d1 [0,2,0,0,0,0|2,0,0]=4 223 B8R0.31 CC(CO)(CO)NCO c32d5b261a4dd64cd602ad53b78b6e93 [0,2,0,0,0,0|2,0,0]=4 224 B8R0.31 CCC(C)(CC)NCO 7bc215fc90efe1b5772609d5f18749b9 [0,2,0,0,0,0|2,0,0]=4 225 B8R0.31 CCC(C)(CO)NCO 285736b65e23c6bb090b50721bd88e96 [0,2,0,0,0,0|2,0,0]=4 226 B8R0.26 CC(C)(C)N(C#N)CO a9f4a76549c851b1f489d3de6fa40fa0 [0,2,0,0,0,0|2,0,0]=4 227 B8R0.26 CCN(CO)C(C)(C)C 394f4de2c3dc1cb23fb4299c59cdb8c5 [0,2,0,0,0,0|2,0,0]=4 228 B6R1.3 OCNC1CC1 101960c0f522708da07270474b234f44 [1,0,0,1,0,0|2,0,0]=4 229 B8R1.27 CC1(CC1NCF)C ea374f7c9e5f3c0b2b5e2f419336e743 [0,1,0,1,0,0|2,0,0]=4 230 B8R1.27 CC1(CC1NCO)C cb0b6f24609ddb35c244d59af169b5f2 [0,1,0,1,0,0|1,0,0]=3 231 B8R1.27 CC1(CN1CCF)C 39ff557401f7733eafb75a230df0f29b [0,1,0,1,0,0|2,0,0]=4 232 B8R1.27 CC1(CN1CCO)C 617d1ee8716018a9f67b571bc1788b25 [0,1,0,1,0,0|1,0,0]=3 233 B8R1.27 CC1(CN1CCS)C 6eec07f936d916842cb1124b7b0f0edb [0,1,0,1,0,0|1,1,0]=4 234 B8R1.27 CC1(C[C@@H]1NCF)C 328944cb71cc830c45968be936f971b8 [0,1,0,1,0,0|2,0,0]=4 235 B8R1.27 CC1(C[C@@H]1NCO)C 8776160ae447ba4a0be869eb874c121e [0,1,0,1,0,0|1,0,0]=3 236 B8R1.27 CC1(C[C@H]1NCF)C 45534cc0aca61fbb4c2e915287c57ea1 [0,1,0,1,0,0|2,0,0]=4 237 B8R1.27 CC1(C[C@H]1NCO)C b1cd2ba6f353b0856ac6e67d6b285e85 [0,1,0,1,0,0|1,0,0]=3 238 B8R1.27 CCCN1CC1(C)C 4e35148f04535705cb58387d435756a0 [0,1,0,1,0,0|2,0,0]=4 239 B8R1.27 CCNC1CC1(C)C 377200e905bd427dd476cb502c8985e2 [0,1,0,1,0,0|2,0,0]=4 240 B8R1.27 CCN[C@@H]1CC1(C)C 4b31feb8a82d17b08f36ac488ea58a04 [0,1,0,1,0,0|2,0,0]=4 241 B8R1.27 CCN[C@H]1CC1(C)C 5da310dc656323b6a5464b290f757f38 [0,1,0,1,0,0|2,0,0]=4 242 B8R1.27 COCN1CC1(C)C df80ce0d3b8943fe57462e570a840ca3 [0,1,0,1,0,0|2,0,0]=4 243 B8R1.41 CC1(CC1)COCF 5d7e8d85d1479a971ce023897bd19012 [0,1,0,1,0,0|2,0,0]=4 244 B8R1.41 CC1(CC1)NCCF 80ac93236da856b1acb5ec9330f9d937 [0,1,0,1,0,0|2,0,0]=4 245 B8R1.41 CC1(CC1)NCCO 89f12072d3eaefb89baf0608eaf9d663 [0,1,0,1,0,0|1,0,0]=3 246 B8R1.41 CC1(CC1)NCCS baf4ff3c0a2f40c10030406656d407ca [0,1,0,1,0,0|1,1,0]=4 247 B8R1.41 CCCNC1(CC1)C bc8a7f6a518459411dffbe8949d7bcc9 [0,1,0,1,0,0|2,0,0]=4 248 B8R1.41 CCOCC1(CC1)C 3e780dfeae3f9f184d94175ac6be0170 [0,1,0,1,0,0|2,0,0]=4 249 B8R1.41 COCNC1(CC1)C 00d7dd85254269b13dc76737769e6f51 [0,1,0,1,0,0|2,0,0]=4 250 B8R1.41 OCNCC1(CC1)F 048baf79bc47d86f1d6e519b935e1d56 [0,1,0,1,0,0|2,0,0]=4 251 B8R1.41 OCNCC1(CC1)O 2c45e982eaef97c122bf698e531212fd [0,1,0,1,0,0|2,0,0]=4 252 B8R1.53 CC1(CN(C1)CF)C f71f38ea5cc8bd56e23fe612ea1c188a [0,1,0,1,0,0|2,0,0]=4 253 B8R1.53 CC1(CN(C1)CO)C d014fde87d0d760662d74625985dd8e9 [0,1,0,1,0,0|1,0,0]=3 254 B8R1.53 CC1(CN(C1)CO)O ee64f477ad359433a7c79921a9e2e8a3 [0,1,0,1,0,0|2,0,0]=4 255 B8R1.53 CCN1CC(C1)(C)C 769cc4143e2b2ac2202c3fe193b14ac3 [0,1,0,1,0,0|2,0,0]=4 256 B8R1.56 CC(C)(C)NC1CC1 b527d26fc47d4e5834cdd6d69b451004 [0,1,0,1,0,0|2,0,0]=4 257 B8R1.66 CC1(CCC1)NCO d06b99ffd2f6c88e44c2e041543a74af [0,1,0,1,0,0|2,0,0]=4 258 B8R1.66 CC1(COC1)NCO c969d42bea7dc0e9fa1c7171e42295e5 [0,1,0,1,0,0|2,0,0]=4 259 B8R1.66 CC1(CSC1)NCO 84a355a0116092d1ea980595b5e12001 [0,1,0,1,0,0|2,0,0]=4 260 B8R1.82 OCNC1(CC1)CO 95594e86bcffa6f3538d8204cb12eb62 [0,1,0,1,0,0|2,0,0]=4 261 B8R1.39 CN(CO)C1(CC1)C ce02e177c697cd7f99c2fdb5c61f693d [0,1,0,1,0,0|2,0,0]=4