0 B6R0.4 C#CCNC(=O)C 4ea0ed9dc6fd35fd030056afb0c47f4f [0,0,0,0,0,0|2,0,1]=3 1 B6R0.4 C=C(Br)CNCC 6e3319104262483598a48b6dc3c212f9 [0,0,0,0,0,0|3,0,1]=4 2 B6R0.4 C=C(Br)COCC 4e277d2c9c73644afe7a0bce57cdf0b5 [0,0,0,0,0,0|3,0,1]=4 3 B6R0.4 C=C(C)CNC#N d9b89b4c8025f48614cd8e95d5f70606 [0,0,0,0,0,0|4,0,0]=4 4 B6R0.4 C=C(C)CNC=O 0d0687e6ed98c39501c4c0fd9c1a287e [0,0,0,0,0,0|4,0,0]=4 5 B6R0.4 C=C(C)CNCC ebc18c3c665b43c324efb5852b5613cc [0,0,0,0,0,0|3,0,0]=3 6 B6R0.4 C=C(C)CNCF 1e221a22fcfa2f630690e0e1cc1b686c [0,0,0,0,0,0|4,0,0]=4 7 B6R0.4 C=C(C)CNCO aed1efb8ed6b634f66b125805c14e3c3 [0,0,0,0,0,0|4,0,0]=4 8 B6R0.4 C=C(C)COCC 6d74b37620be58d1bea5b1911ab2feb1 [0,0,0,0,0,0|3,0,0]=3 9 B6R0.4 C=C(C)COCF cb102a3037e49fdd230dfa87a9a6cd9a [0,0,0,0,0,0|4,0,0]=4 10 B6R0.4 C=C(Cl)COCC 7e83f9548d27b7a69b77fbea42966073 [0,0,0,0,0,0|3,0,1]=4 11 B6R0.4 C=C(F)COCC 1657b1ef40f20a415ed1946b6e445fbb [0,0,0,0,0,0|3,0,1]=4 12 B6R0.4 C=C(I)COCC 91286c7e570d24c12cb1f7709ecbaf14 [0,0,0,0,0,0|3,0,1]=4 13 B6R0.4 CC(=O)CNC=O 799a78176c711722415c8986d9015770 [0,0,0,0,0,0|3,0,0]=3 14 B6R0.4 CC(=O)CNCF b7881e88fb8b8e6cf10e5a033e11f317 [0,0,0,0,0,0|3,0,0]=3 15 B6R0.4 CC(=O)CNCO 088e087d20fb510bb88def586900e34f [0,0,0,0,0,0|3,0,0]=3 16 B6R0.4 CC(=O)COCF dfbfbe0c756744937aaeae603856ac60 [0,0,0,0,0,0|3,0,0]=3 17 B6R0.4 CC(=O)NCC#N 06834e3e3e893456bdb75cd1758cd048 [0,0,0,0,0,0|3,0,0]=3 18 B6R0.4 CC(=O)NCCBr a50b84b8e00a5eea33926a7cde86e5c2 [0,0,0,0,0,0|3,0,0]=3 19 B6R0.4 CC(=O)NCCF 40474d3cc8ff0aef7c3ef76344b9eebb [0,0,0,0,0,0|3,0,0]=3 20 B6R0.4 CC(=O)NCCI baf3590450994f173452759880fb646a [0,0,0,0,0,0|3,0,0]=3 21 B6R0.4 CC(=O)NCCO c7b03ecf194f0f03f4d08fd319920ef5 [0,0,0,0,0,0|3,0,0]=3 22 B6R0.4 CC(=O)NCCS 3cdd66626928bc1a9bac11e682b344a1 [0,0,0,0,0,0|3,0,0]=3 23 B6R0.4 CCCNC(=O)C 2a730f252c249036b45b0d2d9cd73ca4 [0,0,0,0,0,0|2,0,0]=2 24 B6R0.4 CCCNC(C)C 4cc952815a9d9d6816d0fb90ac14a178 [0,0,0,0,0,0|3,0,1]=4 25 B6R0.4 CCCOC(C)C 9e8901dd10ed96aa593b6a5525365a05 [0,0,0,0,0,0|3,0,1]=4 26 B6R0.4 CCNCC(=O)C f174d94c45d739e3b909d0bcb7f774b6 [0,0,0,0,0,0|2,0,0]=2 27 B6R0.4 CCNCC(=O)N 9af72e08b410c4df60bd96241a267974 [0,0,0,0,0,0|3,0,0]=3 28 B6R0.4 CCNCC(=O)O 4ff54ca579c6d0dc364629f4b9806db8 [0,0,0,0,0,0|3,0,0]=3 29 B6R0.4 CCNCC(C)C 7e39c7f79a4a74429f1ae559b7eef67a [0,0,0,0,0,0|3,0,1]=4 30 B6R0.4 CCNCC(C)O 23f38b24d1514a42c01693786c45a1e6 [0,0,0,0,0,0|2,0,2]=4 31 B6R0.4 CCNC[C@@H](C)O 72a96453a23c9791f4ab7ea0647d5c76 [0,0,0,0,0,0|2,0,2]=4 32 B6R0.4 CCNC[C@H](C)O 8a893664491d34251811ef315cfcf0f6 [0,0,0,0,0,0|2,0,2]=4 33 B6R0.4 CCOCC(=O)C 810b545b1a0c4af358d406c93928b4de [0,0,0,0,0,0|2,0,0]=2 34 B6R0.4 CCOCC(=O)N 8c3995d7bbe4bbb5793da2590cf6473e [0,0,0,0,0,0|3,0,0]=3 35 B6R0.4 CCOCC(=O)O ebe16b0612391447f19756491b2bd7a3 [0,0,0,0,0,0|3,0,0]=3 36 B6R0.4 CCOCC(=S)N 193178db836031b13efc39b5ff902efa [0,0,0,0,0,0|3,1,0]=4 37 B6R0.4 CCOCC(C)C 2ccacce0745bb2fe2e67c6f95de49a4c [0,0,0,0,0,0|3,0,1]=4 38 B6R0.4 CCOCC(C)F 44ebcc9497b122666f7d5bc3ab3ef961 [0,0,0,0,0,0|3,0,1]=4 39 B6R0.4 CCOCC(C)S 1b6e2c538b0c5040f1c381953bd73f14 [0,0,0,0,0,0|2,1,1]=4 40 B6R0.4 CCOCS(=O)O 631a28bb34068ba6343c83c466f36b33 [0,0,0,0,0,0|4,0,0]=4 41 B6R0.4 CCOC[C@@H](C)F 2d70ac2d3ad9d2770f50309e83cd9521 [0,0,0,0,0,0|3,0,1]=4 42 B6R0.4 CCOC[C@H](C)F b1411946299fa054261b7f4dedb203a5 [0,0,0,0,0,0|3,0,1]=4 43 B6R0.4 COCOC(C)C 2db698e0a27d38f57903461e5b8bf21f [0,0,0,0,0,0|2,1,1]=4 44 B6R0.4 CSCOC(C)C df2443d5e1bdbc2f3ac237524c1a32f1 [0,0,0,0,0,0|2,0,1]=3 45 B6R0.4 N#CNCC(=O)N 442d746faa83502c9ff2df116c7418f8 [0,0,0,0,0,0|4,0,0]=4 46 B6R0.4 N#CNCC(=O)O 43756775e2c27a3310cd33c2c2160b96 [0,0,0,0,0,0|4,0,0]=4 47 B6R0.4 NC(=O)CNC=O 69aa9557cbc9861258c5d0da5bd61a6e [0,0,0,0,0,0|4,0,0]=4 48 B6R0.4 NC(=O)CNCF 1d1f788bdfbf1bf0db2a27d18231d6bd [0,0,0,0,0,0|4,0,0]=4 49 B6R0.4 NC(=O)CNCO d301de02518fc5358c97c5b15c4b68ec [0,0,0,0,0,0|4,0,0]=4 50 B6R0.4 NC(=O)COCF 5fb009cd2e813c9f1f9e35766b0ec8cb [0,0,0,0,0,0|4,0,0]=4 51 B6R0.4 O=C(O)CNCF d8e91f69db1ad3140a3502718cd0d10f [0,0,0,0,0,0|4,0,0]=4 52 B6R0.4 O=C(O)CNCO 03950869097643d435459ad5a0985e95 [0,0,0,0,0,0|4,0,0]=4 53 B6R0.4 O=C(O)COCF 7c32fa44d83e7ce6c73842137b12fe20 [0,0,0,0,0,0|4,0,0]=4 54 B5R0.1 CC(=O)NC#N 96e7b4266c4f58edb3348aa5d4644bfa [1,0,0,0,0,0|2,0,1]=4 55 B5R0.1 CCOC(C)C e40579e838af0384b34ea3d488054b89 [1,0,0,0,0,0|2,0,1]=4 56 B5R0.2 CCCNC=O 394eea314e4a7e284e23571b2081e74b [1,0,0,0,0,0|2,0,0]=3 57 B5R0.2 CCCNCC 5224ca4332fe9f083a57aa92376290e9 [1,0,0,0,0,0|2,0,1]=4 58 B5R0.2 CCCOCC a0c48a14a19cfc2180230756acaf40ab [1,0,0,0,0,0|2,0,1]=4 59 B5R0.2 CCOCOC 6cd815448945789916c4199ac0685ffd [1,0,0,0,0,0|1,1,1]=4 60 B5R0.2 CSCNC#N dd90c86c89ce5a99a45720112f2e07ec [1,0,0,0,0,0|2,0,1]=4 61 B5R0.2 N#CCNC=O 80b3c5a6fd13156c1522f1a3270bb14c [1,0,0,0,0,0|3,0,0]=4 62 B5R0.2 N#CNCC=O 3856e5cdadd94d32cd8b2d487f474d44 [1,0,0,0,0,0|3,0,0]=4 63 B5R0.2 O=CNCCBr 7c28f652da8d817ffdc4b1e301878e6d [1,0,0,0,0,0|3,0,0]=4 64 B5R0.2 O=CNCCF cc6ab20072548fa955497a25033be1e2 [1,0,0,0,0,0|3,0,0]=4 65 B5R0.2 O=CNCCI 782f0f8ecb3f6f21bf51449dd497a309 [1,0,0,0,0,0|3,0,0]=4 66 B5R0.2 O=CNCCO 0b79256f67d9aeba37165bf9fc8ffac5 [1,0,0,0,0,0|3,0,0]=4 67 B5R0.2 O=CNCCS 22fad8cac4457d75d73ab95d2ca38298 [1,0,0,0,0,0|3,0,0]=4 68 B7R0.2 C#CC(C)NC(=O)C 30a91f9e689320cab67e7176279a027a [0,1,0,0,0,0|2,0,1]=4 69 B7R0.2 C#C[C@@H](C)NC(=O)C b5f4cb4c2ca82f0d4e132f2977db08a6 [0,1,0,0,0,0|2,0,1]=4 70 B7R0.2 C#C[C@H](C)NC(=O)C adfc3d71c946a289355ab55f3775ec5f [0,1,0,0,0,0|2,0,1]=4 71 B7R0.2 C=C(C)CN(C)CC f46aa4737385fde5ecca127cfe0fb11b [0,1,0,0,0,0|3,0,0]=4 72 B7R0.2 C=CC(C)NC(=O)C da0f45e746fe5ddfb85b752dba1a7d5c [0,1,0,0,0,0|2,0,1]=4 73 B7R0.2 CC(=O)NC(C)C#N 5c82a898464bc97e12136e75988ac4b5 [0,1,0,0,0,0|3,0,0]=4 74 B7R0.2 CC(=O)NC(C)CO 5b33fe0ccef9f04a2ffcb97aafaea882 [0,1,0,0,0,0|3,0,0]=4 75 B7R0.2 CC(=O)N[C@@H](C)CO 6858caa5d94a6988c3c1bcaa83d0b2b8 [0,1,0,0,0,0|3,0,0]=4 76 B7R0.2 CC(=O)N[C@H](C)CO 0b20f01b94b45fad0762ce944038f07e [0,1,0,0,0,0|3,0,0]=4 77 B7R0.2 CCC(C)NC(=O)C d52a9bb324dcdb60d53e4e9e2013cb50 [0,1,0,0,0,0|2,0,0]=3 78 B7R0.2 CCN(C)CC(=O)N 58c4f2962e11e395e9dd8c9fccee33dd [0,1,0,0,0,0|3,0,0]=4 79 B7R0.2 CCN(C)CC(=O)O ed00a192e609f5d5786e1c989c44eb8f [0,1,0,0,0,0|3,0,0]=4 80 B7R0.2 CC[C@@H](C)NC(=O)C c6d5d80303dcfd2ae6eb945ac41b31c0 [0,1,0,0,0,0|2,0,0]=3 81 B7R0.2 CC[C@H](C)NC(=O)C 96d2ad332d2a7d6643a2730e644df4f3 [0,1,0,0,0,0|2,0,0]=3 82 B7R0.3 C#CC(=O)NCCC cae95b1c8d30c3884ac9714e15062442 [0,1,0,0,0,0|2,0,1]=4 83 B7R0.3 C#CC(C)NCSC 434c4c9786a3911e5c250e046533c62b [0,1,0,0,0,0|2,0,1]=4 84 B7R0.3 C#CC(C)OCSC a9126d93da8afb9e755338e1f2ad5cd7 [0,1,0,0,0,0|2,0,1]=4 85 B7R0.3 C#CCCN(C)C=O 125766f3203296343dccf9d807927bcd [0,1,0,0,0,0|2,0,1]=4 86 B7R0.3 C#CCNC(=O)CC ef394171f7ba9dfda173330f309f7a5d [0,1,0,0,0,0|2,0,1]=4 87 B7R0.3 C#CCNC(=O)CF eb4eda342cbed92c949eab745f85779c [0,1,0,0,0,0|2,0,1]=4 88 B7R0.3 C#CCNC(=O)CO 2c93e118ea6c2ce38cf0db5343c819bd [0,1,0,0,0,0|2,0,1]=4 89 B7R0.3 C#CCNC(=O)CS cd4e37f8b8830653a130a09363dce8f6 [0,1,0,0,0,0|2,0,1]=4 90 B7R0.3 C#C[C@@H](C)NCSC 8f6e840d3701f2c63b7704ceead9241a [0,1,0,0,0,0|2,0,1]=4 91 B7R0.3 C#C[C@@H](C)OCSC 060fcb199844a627b435f5fafc8ceb52 [0,1,0,0,0,0|2,0,1]=4 92 B7R0.3 C#C[C@H](C)NCSC 30c5342dedc1c53040a94f0706e543bc [0,1,0,0,0,0|2,0,1]=4 93 B7R0.3 C#C[C@H](C)OCSC f64fdd53dcb15fef3872aae26753e4e1 [0,1,0,0,0,0|2,0,1]=4 94 B7R0.3 C=C(C=O)OCCC 04efcca188a8b47a61c5130fe82b341f [0,1,0,0,0,0|2,0,1]=4 95 B7R0.3 C=C(C=O)OCOC fd2d010df8589efa2d493b57390022d2 [0,1,0,0,0,0|1,1,1]=4 96 B7R0.3 C=C(C=O)OCSC c329dc66e0c8ef5c815429253c081723 [0,1,0,0,0,0|1,0,1]=3 97 B7R0.3 C=CC(=O)NCCC cbaf2af1e216a93f8d9916d9e14e472f [0,1,0,0,0,0|2,0,1]=4 98 B7R0.3 C=CC(C)NCSC 00b0f67e17f5d1856f1ea6c73d24d2b6 [0,1,0,0,0,0|2,0,1]=4 99 B7R0.3 C=CC(C)OCSC 359f7f1d84b7f76c37b0f03448dae423 [0,1,0,0,0,0|2,0,1]=4 100 B7R0.3 C=CCCN(C)C=O adf6557a42cae72b9ac47eaa39c6c3f7 [0,1,0,0,0,0|2,0,1]=4 101 B7R0.3 C=C[C@H](C)OCSC 542e0c94386f5c75ff061222cd69cc9b [0,1,0,0,0,0|2,0,1]=4 102 B7R0.3 CCC(=O)CNC#N 5c4d1d2cbca480d29fea538bd5160350 [0,1,0,0,0,0|3,0,0]=4 103 B7R0.3 CCC(=O)COCF 0dfc429bc09e415d47df418ebade007a [0,1,0,0,0,0|3,0,0]=4 104 B7R0.3 CCC(=O)NCC#N 8ad58c7a251d01ba78f75279da47aa27 [0,1,0,0,0,0|3,0,0]=4 105 B7R0.3 CCC(=O)NCCBr 622c7e0d01006938ab3182a350e1ebd0 [0,1,0,0,0,0|3,0,0]=4 106 B7R0.3 CCC(=O)NCCF 64c5d06137bf344ab2d9ef1c9d4f8989 [0,1,0,0,0,0|3,0,0]=4 107 B7R0.3 CCC(=O)NCCI a607114f95a86326e4b8a49fc0dc2b27 [0,1,0,0,0,0|3,0,0]=4 108 B7R0.3 CCC(=O)NCCO 7cd694fbe0a0792079b1131d041f8e7c [0,1,0,0,0,0|3,0,0]=4 109 B7R0.3 CCC(=O)NCCS 2d1553f99b093c5be0d2a8ed841e36c7 [0,1,0,0,0,0|3,0,0]=4 110 B7R0.3 CCC(C)NCSC c04eb7da5ed0a2a03e68485c2016666a [0,1,0,0,0,0|2,0,1]=4 111 B7R0.3 CCC(C)OCSC a5a0b25f047959799e9ece96fa20b187 [0,1,0,0,0,0|2,0,1]=4 112 B7R0.3 CCCCN(C)C=O 9e1fd6b74517af7f400dd8faea413d3e [0,1,0,0,0,0|2,0,0]=3 113 B7R0.3 CCCCN(C)CC 89876d3ca82726715f2f995cd8bda708 [0,1,0,0,0,0|3,0,0]=4 114 B7R0.3 CCCCN(C)CF be372279d4be2902bb76b9de8a48abc5 [0,1,0,0,0,0|3,0,0]=4 115 B7R0.3 CCCCN(C)CO 3f062a8d7718607e7a9f891ee2c89bec [0,1,0,0,0,0|2,0,1]=4 116 B7R0.3 CCCNC(=O)C=O d7ca29ecc0d8770667a3b66f38c8ad0e [0,1,0,0,0,0|2,0,1]=4 117 B7R0.3 CCCNC(=O)CC d52888c93ed9aa6cfb5138e6aae16063 [0,1,0,0,0,0|2,0,0]=3 118 B7R0.3 CCCNC(=O)CF 67a342107ae82918e7753da6150a6f54 [0,1,0,0,0,0|2,0,0]=3 119 B7R0.3 CCCNC(=O)CO 695700e0c0155474a56ee68a189e270e [0,1,0,0,0,0|2,0,0]=3 120 B7R0.3 CCCNC(=O)CS 91632e7a8866d5c8829272afb3b260d7 [0,1,0,0,0,0|2,0,0]=3 121 B7R0.3 CCCNC(C)C=O 7e933d948c2e669e598ddc3c695365b5 [0,1,0,0,0,0|2,0,1]=4 122 B7R0.3 CCCN[C@H](C)C=O 7a63958ebc59429c5dcc5f06d2683ced [0,1,0,0,0,0|2,0,1]=4 123 B7R0.3 CCCOC(C)C=O 64f7abc1e62101b123e23f4c74164a7e [0,1,0,0,0,0|2,0,1]=4 124 B7R0.3 CCCO[C@H](C)C=O 08508c09bba0136bf81083f7b07956d8 [0,1,0,0,0,0|2,0,1]=4 125 B7R0.3 CCN(C)CCOC 4abfef839ac1a01d5b0d90f7c9bd6930 [0,1,0,0,0,0|2,1,0]=4 126 B7R0.3 CCN(C)CCSC 4e1bdb1a0d6eba176a369aa29a4d6d63 [0,1,0,0,0,0|2,0,0]=3 127 B7R0.3 CCNCC(=O)NC 6e0bba6a22fc3bc37e6c3e6f60c6e36a [0,1,0,0,0,0|2,0,0]=3 128 B7R0.3 CCNCC(=O)NO 7228bb52838409a6b0afe1bee2beaf9e [0,1,0,0,0,0|3,0,0]=4 129 B7R0.3 CCNCC(=O)OC b1dca081e4a690ea6b077cbe8021ba9d [0,1,0,0,0,0|2,0,0]=3 130 B7R0.3 CCOC/C(=C/I)/C 92df24ec990a3895db2ac49e1b5a7038 [0,1,0,0,0,0|3,0,0]=4 131 B7R0.3 CCOCC(=CI)C fb53346fffa55ab558f152fe4ff2ec43 [0,1,0,0,0,0|3,0,0]=4 132 B7R0.3 CCOCC(=O)CC 13cc2d887732afb318f359551753b6fc [0,1,0,0,0,0|2,0,0]=3 133 B7R0.3 CCOCC(=O)NC c799fcda6efa9f3f97fe8695cdef5794 [0,1,0,0,0,0|2,0,0]=3 134 B7R0.3 CCOCC(=O)OC b7ea85ad64af7662897e0490968d63a7 [0,1,0,0,0,0|2,0,0]=3 135 B7R0.3 CC[C@@H](C)NCSC b2ccc0121f9ed49266567b6f15a655a0 [0,1,0,0,0,0|2,0,1]=4 136 B7R0.3 CC[C@@H](C)OCSC 07780bc57acd6b7b99e87c445c42d82f [0,1,0,0,0,0|2,0,1]=4 137 B7R0.3 CC[C@H](C)NCSC b4999c020810a33e4d86f949175dda2d [0,1,0,0,0,0|2,0,1]=4 138 B7R0.3 CC[C@H](C)OCSC 879c6380126ff9fd0bdc6f15a431ea23 [0,1,0,0,0,0|2,0,1]=4 139 B7R0.3 CN(C=O)CCC#N c9fb209356e5efd88139356a9a10ffcc [0,1,0,0,0,0|3,0,0]=4 140 B7R0.3 CN(C=O)CCCO d9d91dbce26e2eec91c5287e49989c6b [0,1,0,0,0,0|3,0,0]=4 141 B7R0.3 CN(C=O)CCON d47ef5089d159dbeeea35383bc86b277 [0,1,0,0,0,0|2,1,0]=4 142 B7R0.3 CNC(=O)CNC#N 7ba4abe3fad3b11746e82f87bf46d0a1 [0,1,0,0,0,0|3,0,0]=4 143 B7R0.3 CNC(=O)CNC=O c5a039538783b02b98603872d662eafb [0,1,0,0,0,0|3,0,0]=4 144 B7R0.3 CNC(=O)CNCF d5935a4dfdc95c99073aff1d972a237b [0,1,0,0,0,0|3,0,0]=4 145 B7R0.3 CNC(=O)CNCO 2e658419398257218282eb38e85373dc [0,1,0,0,0,0|3,0,0]=4 146 B7R0.3 CNC(=O)COCF ee658a087bac7b7433b26d422d1c0261 [0,1,0,0,0,0|3,0,0]=4 147 B7R0.3 COC(=O)CNC#N 05f4cf7e93aff5d764fa5ad76ede0782 [0,1,0,0,0,0|3,0,0]=4 148 B7R0.3 COC(=O)CNC=O 4035363612cad4721a397e3e776f2bc3 [0,1,0,0,0,0|3,0,0]=4 149 B7R0.3 COC(=O)CNCF d0cb09e31ddbdd9ba78eb9af662306ae [0,1,0,0,0,0|3,0,0]=4 150 B7R0.3 COC(=O)CNCO 4580192aaef22809041b4d69cba5e872 [0,1,0,0,0,0|3,0,0]=4 151 B7R0.3 COC(=O)COCF fd3305c5ca341d194c1950aa91cbc248 [0,1,0,0,0,0|3,0,0]=4 152 B7R0.3 COCCN(C)C=O 31e1cd7ac14afa72fee2870fbd09d003 [0,1,0,0,0,0|1,1,0]=3 153 B7R0.3 COCCN(C)CF cbc818a22d9e0a334cc2dbb905dc990d [0,1,0,0,0,0|2,1,0]=4 154 B7R0.3 COCCN(C)CO f3ab77dcf49e4ea629dcebe32a49a2b1 [0,1,0,0,0,0|1,1,1]=4 155 B7R0.3 COCOC(C)C=O 3707afff98f056c5534ccbc658911b1f [0,1,0,0,0,0|1,1,1]=4 156 B7R0.3 COCO[C@H](C)C=O 34de2462dae77151365395b9e28ef026 [0,1,0,0,0,0|1,1,1]=4 157 B7R0.3 CSCCN(C)C=O a6a4e8ea5b94212ce62d31147e5f4a78 [0,1,0,0,0,0|1,0,0]=2 158 B7R0.3 CSCCN(C)CF 890b5ffb8cf7a6973b2ee7dfd458ffb1 [0,1,0,0,0,0|2,0,0]=3 159 B7R0.3 CSCCN(C)CO 3bce2c59e540fe3e66c7fb7a4d29cc3f [0,1,0,0,0,0|1,0,1]=3 160 B7R0.3 CSCNC(C)C#N 909ed7ecab76fb168afeb2c1846e5c40 [0,1,0,0,0,0|2,0,1]=4 161 B7R0.3 CSCNC(C)CO 6d4e5438054fc7d727ab269c682f1f18 [0,1,0,0,0,0|1,0,2]=4 162 B7R0.3 CSCN[C@@H](C)CO 902809602258c785ac8e71bdd59c992c [0,1,0,0,0,0|1,0,2]=4 163 B7R0.3 CSCN[C@H](C)CO a6e9f797fabfba51a16375762c3c5872 [0,1,0,0,0,0|1,0,2]=4 164 B7R0.3 CSCOC(C)C=O f3e4026b3b027885c21fad548f08eb1c [0,1,0,0,0,0|1,0,1]=3 165 B7R0.3 CSCOC(C)CF 65e26bd5fd3fba937ab56c5fd2b72624 [0,1,0,0,0,0|2,0,1]=4 166 B7R0.3 CSCOC(C)CS e72ba884b9015d7996527663a2b23dcf [0,1,0,0,0,0|1,1,1]=4 167 B7R0.3 CSCO[C@H](C)CS f2b1cd8743208a95078103d175668411 [0,1,0,0,0,0|1,1,1]=4 168 B7R0.3 N#CCNC(=O)CF 22102b1fd1778f1d4d858f860cd4e7f5 [0,1,0,0,0,0|3,0,0]=4 169 B7R0.3 N#CCNC(=O)CO 8dbd9904ced2105da92f338ff81f2cd3 [0,1,0,0,0,0|3,0,0]=4 170 B7R0.3 N#CCNC(=O)CS 86a7da4cf1eaa1e98a4819073113dcc9 [0,1,0,0,0,0|3,0,0]=4 171 B7R0.3 N#CNCC(=O)CO 70d7ce6c717a89b56589c42b1345533c [0,1,0,0,0,0|3,0,0]=4 172 B7R0.3 O=C(CF)NCCBr 673baad86e5eefbb1b8c6ebb8cd73ae0 [0,1,0,0,0,0|3,0,0]=4 173 B7R0.3 O=C(CF)NCCF 67f25bcd080b5d85cd6525c56f31ea47 [0,1,0,0,0,0|3,0,0]=4 174 B7R0.3 O=C(CF)NCCI 1267d8b8b0da94faf267955e2b6d3339 [0,1,0,0,0,0|3,0,0]=4 175 B7R0.3 O=C(CF)NCCO 249c36c08dc5400834b319c39099c4e4 [0,1,0,0,0,0|3,0,0]=4 176 B7R0.3 O=C(CF)NCCS 6fbf26912db8657dfac73b7a38962924 [0,1,0,0,0,0|3,0,0]=4 177 B7R0.3 O=C(CO)NCCBr 0d2e958569fc4d07a30343b37bac9c1d [0,1,0,0,0,0|3,0,0]=4 178 B7R0.3 O=C(CO)NCCF b7f1aa95ae5b9ced38af3286ec11730a [0,1,0,0,0,0|3,0,0]=4 179 B7R0.3 O=C(CO)NCCI 800c7155616705269676d2b386ed78aa [0,1,0,0,0,0|3,0,0]=4 180 B7R0.3 O=C(CO)NCCO 50003864fda33c69c3e5fa91ade641a0 [0,1,0,0,0,0|3,0,0]=4 181 B7R0.3 O=C(CO)NCCS 26e52ec354a3b7189e72bcae6a8d0219 [0,1,0,0,0,0|3,0,0]=4 182 B7R0.3 O=C(CS)NCCBr 4b08241ea1d7b8a0c4334c82506d75b0 [0,1,0,0,0,0|3,0,0]=4 183 B7R0.3 O=C(CS)NCCF d3c5664c15544d35b4683a8663e5b57d [0,1,0,0,0,0|3,0,0]=4 184 B7R0.3 O=C(CS)NCCI 95020692b0f8665c0c31cb074bf3f310 [0,1,0,0,0,0|3,0,0]=4 185 B7R0.3 O=C(CS)NCCO 1770b4a33c0d2574e46d3e387e79cf7a [0,1,0,0,0,0|3,0,0]=4 186 B7R0.3 O=C(CS)NCCS a9285f587f9c002b8ab7f77509aee977 [0,1,0,0,0,0|3,0,0]=4 187 B7R0.4 C#CCCNC(=O)C e103f6c630df1c8bc942f7cd96221f16 [0,1,0,0,0,0|1,0,1]=3 188 B7R0.4 C#CCNCC(=C)C eb0c35234badabfcd3c166c71613f230 [0,1,0,0,0,0|2,0,1]=4 189 B7R0.4 C#CCNCC(=O)C 5de972c5592516dd50641220afa1c072 [0,1,0,0,0,0|1,0,1]=3 190 B7R0.4 C#CCNCC(=O)N 192103ba8fad459d76fc07062abce874 [0,1,0,0,0,0|2,0,1]=4 191 B7R0.4 C#CCNCC(=O)O 343eb4150e1f97e741a1efc40a4c68ea [0,1,0,0,0,0|2,0,1]=4 192 B7R0.4 C#CCOCC(=C)C 0bc01d270f03a65c7ca43642aedfcda7 [0,1,0,0,0,0|2,0,1]=4 193 B7R0.4 C#CCOCC(=O)C a3c93320b56e3e358d63fbc9e6735009 [0,1,0,0,0,0|1,0,1]=3 194 B7R0.4 C#CCOCC(=O)N f47bf366ca2d3d6c4b78dcc521793da1 [0,1,0,0,0,0|2,0,1]=4 195 B7R0.4 C#CCOCC(=O)O 3bcfd2fb505271f199367374d77863ed [0,1,0,0,0,0|2,0,1]=4 196 B7R0.4 C/C(=C/COCF)/Cl ccb17a4eecc3091faafab504472f0bc7 [0,1,0,0,0,0|1,1,1]=4 197 B7R0.4 C/C(=C/COCF)/I 3c1d6b60b36a518dc432453d68bfeeb4 [0,1,0,0,0,0|1,1,1]=4 198 B7R0.4 C=C(Br)CCOCC cc4fc6a1af0a8e14aface9bf14962130 [0,1,0,0,0,0|1,1,1]=4 199 B7R0.4 C=C(Br)CCOCF ea4ba58a0dda0d4ff610398e2a49e354 [0,1,0,0,0,0|1,1,1]=4 200 B7R0.4 C=C(Br)CNCCC fa829c84ae21852cc8a84c5b2b04c392 [0,1,0,0,0,0|2,0,1]=4 201 B7R0.4 C=C(Br)CNCOC c5da0ade2f26605ee229f8e69e435818 [0,1,0,0,0,0|1,1,1]=4 202 B7R0.4 C=C(Br)CNCSC 8a13c2330490e029e1472b0879913501 [0,1,0,0,0,0|1,0,1]=3 203 B7R0.4 C=C(Br)COCCC 5863f2e2fc458f31ad6edaa914f592f2 [0,1,0,0,0,0|2,0,1]=4 204 B7R0.4 C=C(Br)COCOC 07b1b57eb717a0955e8242d74555e9c9 [0,1,0,0,0,0|1,1,1]=4 205 B7R0.4 C=C(Br)COCSC 1fb9c4d52ec09b3be6dd4d44e06087d7 [0,1,0,0,0,0|1,0,1]=3 206 B7R0.4 C=C(C)CCNC#N 91c6e1f8d173a3f2de73326c577834f4 [0,1,0,0,0,0|2,0,1]=4 207 B7R0.4 C=C(C)CCNC=O 4d615a3112b965fa05f258614a56fe4d [0,1,0,0,0,0|2,0,1]=4 208 B7R0.4 C=C(C)CCNCC 496668f773ae381b7253fe5c2e31b849 [0,1,0,0,0,0|2,0,0]=3 209 B7R0.4 C=C(C)CCNCF d9277e4b518036e504534a47b4d2c8d3 [0,1,0,0,0,0|2,0,0]=3 210 B7R0.4 C=C(C)CCNCO 1d4b0607e3d83a5f4006eff6bc7727ff [0,1,0,0,0,0|2,0,0]=3 211 B7R0.4 C=C(C)CCOCC be6e22e1c69b2a68ed5204ad177f8dbf [0,1,0,0,0,0|1,1,0]=3 212 B7R0.4 C=C(C)CCOCF 57a19209df87575c4f19afbce5b99e6c [0,1,0,0,0,0|1,1,0]=3 213 B7R0.4 C=C(C)CNCC#N 76a6ad7e00f4e270a79d1117e4c441a4 [0,1,0,0,0,0|3,0,0]=4 214 B7R0.4 C=C(C)CNCC=O 9d28817af531c4aeff91a0e804528258 [0,1,0,0,0,0|3,0,0]=4 215 B7R0.4 C=C(C)CNCCBr 2a71f14abd6d980bb31a1c9bc14c70f0 [0,1,0,0,0,0|3,0,0]=4 216 B7R0.4 C=C(C)CNCCC 9338ac3992e47efae82e0b1fb1732dd0 [0,1,0,0,0,0|2,0,0]=3 217 B7R0.4 C=C(C)CNCCF 147c63cc249cacaac64968cb85a45eaf [0,1,0,0,0,0|3,0,0]=4 218 B7R0.4 C=C(C)CNCCI 5db841d6ee2087586757d7c691268e13 [0,1,0,0,0,0|3,0,0]=4 219 B7R0.4 C=C(C)CNCCO 7142f744ef151de1633254d1c7f42004 [0,1,0,0,0,0|3,0,0]=4 220 B7R0.4 C=C(C)CNCCS b56ce23cba380640f2babb6ed5fa0d2e [0,1,0,0,0,0|3,0,0]=4 221 B7R0.4 C=C(C)CNCOC 56824e1f14264a8b23f8809f8827c008 [0,1,0,0,0,0|1,1,0]=3 222 B7R0.4 C=C(C)CNCSC 16720dfae312e14188787cb1eaf510d4 [0,1,0,0,0,0|1,0,0]=2 223 B7R0.4 C=C(C)COCC#N 003a80dc4db062561188210b3f291dbe [0,1,0,0,0,0|3,0,0]=4 224 B7R0.4 C=C(C)COCC=O ac319c323600422cf8ad488ebe56732b [0,1,0,0,0,0|3,0,0]=4 225 B7R0.4 C=C(C)COCCC 76f9760152185d12d96d255aaf2df59a [0,1,0,0,0,0|2,0,0]=3 226 B7R0.4 C=C(C)COCCF 2393b781abe28f80c22ecc5054861ab3 [0,1,0,0,0,0|3,0,0]=4 227 B7R0.4 C=C(C)COCCS 49de4109ab241775eb4f5124e18dde45 [0,1,0,0,0,0|3,0,0]=4 228 B7R0.4 C=C(C)COCOC 43819766e7dcc16b61a9eda64a28704b [0,1,0,0,0,0|1,1,0]=3 229 B7R0.4 C=C(C)COCSC 57a3672b412662e92be8fefea10a5b74 [0,1,0,0,0,0|1,0,0]=2 230 B7R0.4 C=C(Cl)CNCCC e211f531740b4a6af99c40dd77a72224 [0,1,0,0,0,0|2,0,1]=4 231 B7R0.4 C=C(Cl)COCCC 8abcd6ae9b62bc4ff24e78f1b1637d62 [0,1,0,0,0,0|2,0,1]=4 232 B7R0.4 C=C(Cl)COCOC e9c971b961a0dc4c5fdf312f58d6132b [0,1,0,0,0,0|1,1,1]=4 233 B7R0.4 C=C(Cl)COCSC f2ac685eefd0e0729fecd3be397ecd57 [0,1,0,0,0,0|1,0,1]=3 234 B7R0.4 C=C(F)CNCCC 4667877133a3f36f4c10609c396b250b [0,1,0,0,0,0|2,0,1]=4 235 B7R0.4 C=C(F)COCCC 16c2ba6933f26fb577f08eb88fa11a89 [0,1,0,0,0,0|2,0,1]=4 236 B7R0.4 C=C(F)COCOC 22d1787a226644b1c135149de6654075 [0,1,0,0,0,0|1,1,1]=4 237 B7R0.4 C=C(F)COCSC 6bbf4e89090e6cc7310e72037a53b255 [0,1,0,0,0,0|1,0,1]=3 238 B7R0.4 C=C(I)COCCC 0f8c92f8408141dde0e1a21bfdcf65bf [0,1,0,0,0,0|2,0,1]=4 239 B7R0.4 C=C(I)COCOC ab47bd677ec4bd30c526b4cd90bad9b3 [0,1,0,0,0,0|1,1,1]=4 240 B7R0.4 C=C(I)COCSC 906afa6cb0cbbbf887a55678cd7cf860 [0,1,0,0,0,0|1,0,1]=3 241 B7R0.4 C=CCCNC(=O)C 479f81177c8b7d1f361bf6380aad1391 [0,1,0,0,0,0|1,0,1]=3 242 B7R0.4 C=CCNCC(=C)C 41a7db76b72ad250995c42f746d79056 [0,1,0,0,0,0|2,0,1]=4 243 B7R0.4 C=CCNCC(=O)C c379877cdd29970c778896dc66ad00a6 [0,1,0,0,0,0|1,0,1]=3 244 B7R0.4 C=CCNCC(=O)N 4c9ed8797e68589a4063017023a51a00 [0,1,0,0,0,0|2,0,1]=4 245 B7R0.4 C=CCNCC(=O)O 6133d6411223a422a790fc62a49552d6 [0,1,0,0,0,0|2,0,1]=4 246 B7R0.4 C=CCOCC(=C)C e2abf6a2fe1f9ea589c331127c249266 [0,1,0,0,0,0|2,0,1]=4 247 B7R0.4 C=CCOCC(=O)C 6cc60c3b69d2e2990673da8a49479ff3 [0,1,0,0,0,0|1,0,1]=3 248 B7R0.4 C=CCOCC(=O)N 827d4ca2bb9539e8def9891e687c2849 [0,1,0,0,0,0|2,0,1]=4 249 B7R0.4 C=CCOCC(=O)O 7136a2a50022493c85115a32aa055df0 [0,1,0,0,0,0|2,0,1]=4 250 B7R0.4 CC#CCNC(=O)C 0b9b1f8c1419bc28dc48ec1c6507ca3d [0,1,0,0,0,0|1,0,1]=3 251 B7R0.4 CC(=CCNCF)C 3984891f07cfe78b7ee7bd273d4f999d [0,1,0,0,0,0|2,0,1]=4 252 B7R0.4 CC(=CCNCO)C cd77ec809019dfe355bce493304b24df [0,1,0,0,0,0|2,0,1]=4 253 B7R0.4 CC(=CCOCF)C c25b592aef4d9f50b5494c475de951b8 [0,1,0,0,0,0|1,1,1]=4 254 B7R0.4 CC(=CCOCF)I ba2122f4ea4634e790cdf077ca544e33 [0,1,0,0,0,0|1,1,1]=4 255 B7R0.4 CC(=O)CCNC#N 4c80be72e90144dac156b66101e47221 [0,1,0,0,0,0|1,0,1]=3 256 B7R0.4 CC(=O)CCOCF 82d7d90cce95d3fcb1e3ec26261601b7 [0,1,0,0,0,0|0,1,0]=2 257 B7R0.4 CC(=O)CNCC#N 3143039d9319d06def2c85775b65f22b [0,1,0,0,0,0|2,0,0]=3 258 B7R0.4 CC(=O)CNCC=O 5be6de3ce66e561a4ff39c69208f9195 [0,1,0,0,0,0|2,0,0]=3 259 B7R0.4 CC(=O)CNCCF 037d57d4c47ace4be0a5087eec27dc1a [0,1,0,0,0,0|2,0,0]=3 260 B7R0.4 CC(=O)CNCCO 86398d1823d67bf69cb8819c5f41ae7a [0,1,0,0,0,0|2,0,0]=3 261 B7R0.4 CC(=O)CNCCS 7ce62300907f9ccd0384e405866d6aaa [0,1,0,0,0,0|2,0,0]=3 262 B7R0.4 CC(=O)COCC#N f6d942d7fed48c56b84b1cfe40ac78c5 [0,1,0,0,0,0|2,0,0]=3 263 B7R0.4 CC(=O)COCC=O 465b1cf75d509df2704309fff91522d1 [0,1,0,0,0,0|2,0,0]=3 264 B7R0.4 CC(=O)COCCF 44a64beb94b3f52bac0afdbbbb0c27fe [0,1,0,0,0,0|2,0,0]=3 265 B7R0.4 CC(=O)COCCS aaf6880c5768e2a52385922f009f4e73 [0,1,0,0,0,0|2,0,0]=3 266 B7R0.4 CC(=O)NCCC#N e30d62b714eb5f35b52a5a0ddd2a52a2 [0,1,0,0,0,0|2,0,0]=3 267 B7R0.4 CC(=O)NCCCCl a50262f9e3620db3f540afde4066de77 [0,1,0,0,0,0|2,0,0]=3 268 B7R0.4 CC(=O)NCCCO cd01194a1a55a891decb932ba2d96e97 [0,1,0,0,0,0|2,0,0]=3 269 B7R0.4 CC(=O)NCCON b144d6b267eb86a17759cca31656c8af [0,1,0,0,0,0|1,1,0]=3 270 B7R0.4 CC(=O)NCOCF bbf9571051543191a8870eae955bf479 [0,1,0,0,0,0|1,1,0]=3 271 B7R0.4 CC(=O)OCNC#N 09ae158eda2ed3ea4692af8a683aae11 [0,1,0,0,0,0|2,0,1]=4 272 B7R0.4 CC(C)CCNCF 7f725eaafe57b21e0294a49a9a15ea60 [0,1,0,0,0,0|2,0,1]=4 273 B7R0.4 CC(C)CCNCO 55d154c6198aa4781c1600237013f9c3 [0,1,0,0,0,0|2,0,1]=4 274 B7R0.4 CC(C)CCOCF 5c4beb2cb4fc50a6f233dfe91cf9c945 [0,1,0,0,0,0|1,1,1]=4 275 B7R0.4 CC(O)CCNCF 89c40e30e417fcb37a374a94c2ef248d [0,1,0,0,0,0|1,0,2]=4 276 B7R0.4 CC(O)CCNCO 9f501543a06bdc8213f2c63cd9b34692 [0,1,0,0,0,0|1,0,2]=4 277 B7R0.4 CC=CCNC(=O)C dc3e1d71e731895ff638118e5c964c13 [0,1,0,0,0,0|1,0,1]=3 278 B7R0.4 CCCCNC(=O)C 0949c76abd7904d01e0aead7cd919e16 [0,1,0,0,0,0|1,0,0]=2 279 B7R0.4 CCCCNC(C)C 9cc424b21c3c2f75d1871abbaf0e1d28 [0,1,0,0,0,0|2,0,1]=4 280 B7R0.4 CCCCOC(C)C eb1bac952091f26d8e354583c355080c [0,1,0,0,0,0|2,0,1]=4 281 B7R0.4 CCCNCC(=O)C 99413200ab301de7320a2958deb213a6 [0,1,0,0,0,0|1,0,0]=2 282 B7R0.4 CCCNCC(=O)N c6bdb30f5ce304ac84a3a29975920160 [0,1,0,0,0,0|2,0,0]=3 283 B7R0.4 CCCNCC(=O)O 1172f6559bfe8e46309ea809f909cc38 [0,1,0,0,0,0|2,0,0]=3 284 B7R0.4 CCCNCC(C)C 639a6b9872838fc9d4295ca1293ac6f5 [0,1,0,0,0,0|2,0,1]=4 285 B7R0.4 CCCNCC(C)O daf3f68aedcfe9daf2326198322724f7 [0,1,0,0,0,0|1,0,2]=4 286 B7R0.4 CCCNCN(C)C 6cfa8606f274157e5146a9a1a1e43db8 [0,1,0,0,0,0|3,0,0]=4 287 B7R0.4 CCCNC[C@@H](C)O 69c59cd948a0a2ada3b8c8ccb896baca [0,1,0,0,0,0|1,0,2]=4 288 B7R0.4 CCCNC[C@H](C)O 72915868db71c51258a7b619113cc692 [0,1,0,0,0,0|1,0,2]=4 289 B7R0.4 CCCNC[N+](=O)[O-] 419587d101301b41277d69884923c893 [0,1,0,0,0,0|3,0,0]=4 290 B7R0.4 CCCOCC(=O)C 96075066d7d27bc87eaacf968c44bcad [0,1,0,0,0,0|1,0,0]=2 291 B7R0.4 CCCOCC(=O)N 96a8c77dd39980465075569d7697e39d [0,1,0,0,0,0|2,0,0]=3 292 B7R0.4 CCCOCC(=O)O 23aff310a77cf1d0723d729060ccc5ab [0,1,0,0,0,0|2,0,0]=3 293 B7R0.4 CCCOCC(=S)N de4cf6b87e1a0924ce6659273b2f578f [0,1,0,0,0,0|2,1,0]=4 294 B7R0.4 CCCOCC(C)C 519497356751b621892cf233de56054b [0,1,0,0,0,0|2,0,1]=4 295 B7R0.4 CCCOCC(C)F dd29a194f54e9c80d8edf1f9d80b8d74 [0,1,0,0,0,0|2,0,1]=4 296 B7R0.4 CCCOCC(C)S be744eae5a3365df2c9fc241f88d0c34 [0,1,0,0,0,0|1,1,1]=4 297 B7R0.4 CCCOCN(C)C 36ffd2679676671661da29a84172c95d [0,1,0,0,0,0|3,0,0]=4 298 B7R0.4 CCCOCS(=O)O 0f12db2563a680e281a3900efd4625e1 [0,1,0,0,0,0|3,0,0]=4 299 B7R0.4 CCCOC[C@@H](C)F 3e309754c30a5b79d5dc25a5081557ca [0,1,0,0,0,0|2,0,1]=4 300 B7R0.4 CCCOC[C@H](C)F 383eac738512a675ea10661fb503a531 [0,1,0,0,0,0|2,0,1]=4 301 B7R0.4 CCCOC[N+](=O)[O-] 57fc1d5897b3bb3312e1a8c9c07caf8c [0,1,0,0,0,0|3,0,0]=4 302 B7R0.4 CCNCC=C(C)C babbecd9a4b03d10475bf665994a7cc4 [0,1,0,0,0,0|2,0,1]=4 303 B7R0.4 CCNCCC(=O)N 41bbba81e733b9d1286775aca2565c1c [0,1,0,0,0,0|2,0,0]=3 304 B7R0.4 CCNCCC(=O)O 88c0515bc1747e6ea081f59eb14f48f3 [0,1,0,0,0,0|2,0,0]=3 305 B7R0.4 CCNCCC(=S)N 76a84de3aae7ce57b9732b2228d88da8 [0,1,0,0,0,0|2,1,0]=4 306 B7R0.4 CCNCCC(C)C 2bf33aa7c5d7ca27e591c3649dacf1c3 [0,1,0,0,0,0|2,0,1]=4 307 B7R0.4 CCNCCC(C)O 5c499b0d9d47b4ec3e33a3826caf6cf9 [0,1,0,0,0,0|1,0,2]=4 308 B7R0.4 CCNCCN(C)C 623f50aa4be9ebc8f28d6a0c3c6ed1a7 [0,1,0,0,0,0|3,0,0]=4 309 B7R0.4 CCNCCS(=O)C 6adfbd2d8fb4ec32091a9ce07fb581f6 [0,1,0,0,0,0|2,0,0]=3 310 B7R0.4 CCNCCS(=O)O 128b1e77080fe0113eae546bdfad2510 [0,1,0,0,0,0|3,0,0]=4 311 B7R0.4 CCNCC[C@@H](C)O 813fcf5ff2ae94275024925d2e59da87 [0,1,0,0,0,0|1,0,2]=4 312 B7R0.4 CCNCC[C@H](C)O ad44c8835227c03e0dd7a910fcfe11b6 [0,1,0,0,0,0|1,0,2]=4 313 B7R0.4 CCOC/C=C(/C)\Cl a79883948efe387ccbf8035e4bbbf803 [0,1,0,0,0,0|1,1,1]=4 314 B7R0.4 CCOC/C=C(/C)\I 31046cb5ab0b5fce8af568a1edb154c5 [0,1,0,0,0,0|1,1,1]=4 315 B7R0.4 CCOCC=C(C)C 24a34a23a06cf18457415c98f967840a [0,1,0,0,0,0|1,1,1]=4 316 B7R0.4 CCOCC=C(C)I 79d9eb8c50caa3a3f2106cdc9cdd7c84 [0,1,0,0,0,0|1,1,1]=4 317 B7R0.4 CCOCCC(=O)C cbf951a39aabdc9cae79b2b81520e5d8 [0,1,0,0,0,0|0,1,0]=2 318 B7R0.4 CCOCCC(=O)N 6008011299c8bcf06da6d1d485db82cf [0,1,0,0,0,0|1,1,0]=3 319 B7R0.4 CCOCCC(=O)O b43dd4fe6d8527741fde301ee2762516 [0,1,0,0,0,0|1,1,0]=3 320 B7R0.4 CCOCCC(C)C a81ef4c75f60509d0095bacdc570a8e6 [0,1,0,0,0,0|1,1,1]=4 321 B7R0.4 CCOCCN(C)C ea980176db95d583c8d1c23fca0674af [0,1,0,0,0,0|2,1,0]=4 322 B7R0.4 CCOCCS(=O)C 8e6e406da58bf76b276c249a0b39af9d [0,1,0,0,0,0|1,1,0]=3 323 B7R0.4 CCOCC[N+](=O)[O-] 8e5e0c25af9383a49962ecbafeaf1cdb [0,1,0,0,0,0|2,1,0]=4 324 B7R0.4 CCOCNC(=O)C b051a792d6529617bfbfb0a9edc5ad16 [0,1,0,0,0,0|1,1,0]=3 325 B7R0.4 CCOCNC(=O)N 7f110a3bce734439d6da5de9a8afdb1c [0,1,0,0,0,0|2,1,0]=4 326 B7R0.4 CN(C)CCNCF 8abb5f18b6c751325863f35aed3a39ad [0,1,0,0,0,0|3,0,0]=4 327 B7R0.4 CN(C)CCNCO bd0d691a6fbaf02bba808128b7b4eb38 [0,1,0,0,0,0|3,0,0]=4 328 B7R0.4 CN(C)CCOCF 8b70b7812206c4d5ded6c185d6862be3 [0,1,0,0,0,0|2,1,0]=4 329 B7R0.4 COCCNC(=O)C e9eb3353d96003a03a149314e2f5662c [0,1,0,0,0,0|0,1,0]=2 330 B7R0.4 COCCNC(C)C 0e10ac0a5c18c9b5426d9b26a3199f23 [0,1,0,0,0,0|1,1,1]=4 331 B7R0.4 COCCOC(C)C 66ff9033a5dadbe3413ec342d9a7c9fe [0,1,0,0,0,0|1,1,1]=4 332 B7R0.4 COCNCC(=O)C 1d22e2faae89557d184e6b77c70e18b9 [0,1,0,0,0,0|0,1,0]=2 333 B7R0.4 COCNCC(=O)N 5eb60c0a5f3dc108975679a2e84d9e64 [0,1,0,0,0,0|1,1,0]=3 334 B7R0.4 COCNCC(=O)O 63e693e6a6943d7d076b731aa43d021d [0,1,0,0,0,0|1,1,0]=3 335 B7R0.4 COCNCC(C)C 8a41f842449ec7e26a630827b8975a34 [0,1,0,0,0,0|1,1,1]=4 336 B7R0.4 COCNCC(C)O 7cd2bebbda561fed9f8727c3c28ad38e [0,1,0,0,0,0|0,1,2]=4 337 B7R0.4 COCNC[C@@H](C)O 1cb4b03583e52c6b50718208a2374249 [0,1,0,0,0,0|0,1,2]=4 338 B7R0.4 COCNC[C@H](C)O f3446f550f05f70b23e0d39223deb3a4 [0,1,0,0,0,0|0,1,2]=4 339 B7R0.4 COCOCC(=O)C 6ffd083eff8647662229227253b2a8dc [0,1,0,0,0,0|0,1,0]=2 340 B7R0.4 COCOCC(=O)N a86a9c95c6a98739f4d98d0cd39ad842 [0,1,0,0,0,0|1,1,0]=3 341 B7R0.4 COCOCC(=O)O a468e60279d972337d82cd5f7b4a85c0 [0,1,0,0,0,0|1,1,0]=3 342 B7R0.4 COCOCC(=S)N ee294cd5168f479d523c3c4651082b74 [0,1,0,0,0,0|1,2,0]=4 343 B7R0.4 COCOCC(C)C 61a68151721001e97ead89f074e554c8 [0,1,0,0,0,0|1,1,1]=4 344 B7R0.4 COCOCC(C)F 8914da36a6668652f42dd48a2de189ef [0,1,0,0,0,0|1,1,1]=4 345 B7R0.4 COCOCC(C)S e066c7f9b17ffc4be78eeceab96a73b5 [0,1,0,0,0,0|0,2,1]=4 346 B7R0.4 COCOCN(C)C 2b73113c43069b14e14fe8858206fc7d [0,1,0,0,0,0|2,1,0]=4 347 B7R0.4 COCOCS(=O)O 5b78f1d6000a1c6ff13d9dbfa3cb959d [0,1,0,0,0,0|2,1,0]=4 348 B7R0.4 COCOC[C@@H](C)F 6545045391d8f6ced82f2bf093ba89e0 [0,1,0,0,0,0|1,1,1]=4 349 B7R0.4 COCOC[C@H](C)F 79bbf51d9f1999e8364c46bd7028ac05 [0,1,0,0,0,0|1,1,1]=4 350 B7R0.4 COCOC[N+](=O)[O-] 54bbc30812908559dc136bad18aef36a [0,1,0,0,0,0|2,1,0]=4 351 B7R0.4 CS(=O)CCNC#N 79eac4119530a3a593bcb64787572bbe [0,1,0,0,0,0|2,0,1]=4 352 B7R0.4 CS(=O)CCNC=O 16cc205a7133a7d223ff6dc33bd772e5 [0,1,0,0,0,0|2,0,1]=4 353 B7R0.4 CS(=O)CCNCF d9c1484515d26db91a75e89c525299ec [0,1,0,0,0,0|2,0,0]=3 354 B7R0.4 CS(=O)CCNCO fdcf9e99993e02a092ff2e9d4ac90523 [0,1,0,0,0,0|2,0,0]=3 355 B7R0.4 CS(=O)CCOCF 834c76934e51318a147a2d0ae2e7b4a6 [0,1,0,0,0,0|1,1,0]=3 356 B7R0.4 CSCCNC(=O)C d94327ff4326745067a7a93e58177af9 [0,1,0,0,0,0|0,0,0]=1 357 B7R0.4 CSCCNC(C)C 145dbc599c93a8d182d58abe78ded108 [0,1,0,0,0,0|1,0,1]=3 358 B7R0.4 CSCCOC(C)C 898b6e38b775cb6892ffe8b724ad6a1f [0,1,0,0,0,0|1,0,1]=3 359 B7R0.4 CSCNCC(=O)C 45bb082b9a0036036408483af8cc43e5 [0,1,0,0,0,0|0,0,0]=1 360 B7R0.4 CSCNCC(=O)N 25bde4292d4cdcaec203d3d8eb65b798 [0,1,0,0,0,0|1,0,0]=2 361 B7R0.4 CSCNCC(=O)O 5c5440b473179a79f0a0bde7f261b934 [0,1,0,0,0,0|1,0,0]=2 362 B7R0.4 CSCNCC(C)C af947b38f43b5b920a6aa47378596e00 [0,1,0,0,0,0|1,0,1]=3 363 B7R0.4 CSCNCC(C)O 50c1b0ff20ccca0fd478dfcc8b4f1dd9 [0,1,0,0,0,0|0,0,2]=3 364 B7R0.4 CSCNCC(F)F 7cb9fe23842b0dbd8a2ee023dae4c181 [0,1,0,0,0,0|2,0,1]=4 365 B7R0.4 CSCNC[C@@H](C)O 8109ab425e83ef9eeeaf7082857cd6a2 [0,1,0,0,0,0|0,0,2]=3 366 B7R0.4 CSCNC[C@H](C)O d2099554b3b9b6b9132d0066d20c97d5 [0,1,0,0,0,0|0,0,2]=3 367 B7R0.4 CSCOCC(=O)C a99e30955cce4bbe9c0c1e4d13a22534 [0,1,0,0,0,0|0,0,0]=1 368 B7R0.4 CSCOCC(=O)N 26834a3c15e8ab4b1f28f8e0ba47eea5 [0,1,0,0,0,0|1,0,0]=2 369 B7R0.4 CSCOCC(=O)O bc53fc5d2082b4879e00ca1b9daacd0d [0,1,0,0,0,0|1,0,0]=2 370 B7R0.4 CSCOCC(=S)N 96e836b78f31f1ad4b44d4ed57e66856 [0,1,0,0,0,0|1,1,0]=3 371 B7R0.4 CSCOCC(C)C 2e75b1421641e4cf6bcc7f6e6907b733 [0,1,0,0,0,0|1,0,1]=3 372 B7R0.4 CSCOCC(C)F 53f1875474e3b9bdff910b92b60ba853 [0,1,0,0,0,0|1,0,1]=3 373 B7R0.4 CSCOCC(C)S f9be698c7d26541eb43c0e631766ae27 [0,1,0,0,0,0|0,1,1]=3 374 B7R0.4 CSCOCC(F)F f5224cd0f16a5565a48a0766b0edd0b9 [0,1,0,0,0,0|2,0,1]=4 375 B7R0.4 CSCOCS(=O)O 10c14278cf265246d24f329a9e0b0189 [0,1,0,0,0,0|2,0,0]=3 376 B7R0.4 CSCOC[C@@H](C)F 0136a6bbb00194305a65bf070cb3d15d [0,1,0,0,0,0|1,0,1]=3 377 B7R0.4 CSCOC[C@H](C)F 7813ba3f17ca085b20bd9c5ced200835 [0,1,0,0,0,0|1,0,1]=3 378 B7R0.4 C[C@@H](O)CCNCF a171060e7cef636674fdc1d5de7e9c7f [0,1,0,0,0,0|1,0,2]=4 379 B7R0.4 C[C@@H](O)CCNCO 9ba5901b9598bb8b83a8e89d75299d06 [0,1,0,0,0,0|1,0,2]=4 380 B7R0.4 C[C@H](O)CCNCF cf7b969aa5132fd62a51c70fbb4e55b6 [0,1,0,0,0,0|1,0,2]=4 381 B7R0.4 C[C@H](O)CCNCO 0826a81a1bc46286726529223d9bf47c [0,1,0,0,0,0|1,0,2]=4 382 B7R0.4 N#CCNCC(=O)N 1b074661588ba0117e64361bcac47550 [0,1,0,0,0,0|3,0,0]=4 383 B7R0.4 N#CCNCC(=O)O 809e9a9d58d178eb22e9b3ea8c029b46 [0,1,0,0,0,0|3,0,0]=4 384 B7R0.4 N#CCOCC(=O)N 063b71e1d1d2f59285f81ab951f41740 [0,1,0,0,0,0|3,0,0]=4 385 B7R0.4 N#CCOCC(=O)O f440efea3522112d8965a680edd84309 [0,1,0,0,0,0|3,0,0]=4 386 B7R0.4 N#CNCCC(=O)N 8dd90bc67de63e662194ecc9ed95a453 [0,1,0,0,0,0|2,0,1]=4 387 B7R0.4 N#CNCCC(=O)O aa8f36504cb81f27d3e027833d30b74a [0,1,0,0,0,0|2,0,1]=4 388 B7R0.4 NC(=O)CCNC=O 050e6ba173611e3f300554dbc19881d0 [0,1,0,0,0,0|2,0,1]=4 389 B7R0.4 NC(=O)CCNCF 20ec4b7c637071ae24e3cdf4bbdc4bb7 [0,1,0,0,0,0|2,0,0]=3 390 B7R0.4 NC(=O)CCNCO 8d6a6b05e8f134f68517fe004903b837 [0,1,0,0,0,0|2,0,0]=3 391 B7R0.4 NC(=O)CCOCF 7d212825caf98dd8861bf8614019cc84 [0,1,0,0,0,0|1,1,0]=3 392 B7R0.4 NC(=O)CNCC=O 814f24c650e32f1313a12556cffef937 [0,1,0,0,0,0|3,0,0]=4 393 B7R0.4 NC(=O)CNCCBr efd5ac610f3bf0af030019a2a0ff4ee3 [0,1,0,0,0,0|3,0,0]=4 394 B7R0.4 NC(=O)CNCCF 88409f29ce1f997fc9276ae451d20bd9 [0,1,0,0,0,0|3,0,0]=4 395 B7R0.4 NC(=O)CNCCI 0c80ee12c3f6bb203c2aa04fa4e00ea0 [0,1,0,0,0,0|3,0,0]=4 396 B7R0.4 NC(=O)CNCCO 02184e14b25877b3290e4ad2b4992b8c [0,1,0,0,0,0|3,0,0]=4 397 B7R0.4 NC(=O)CNCCS eabeface6d5825fa54ff76a59eda8562 [0,1,0,0,0,0|3,0,0]=4 398 B7R0.4 NC(=O)COCC=O 352ad5d7e552372f66c1eb7b799ac531 [0,1,0,0,0,0|3,0,0]=4 399 B7R0.4 NC(=O)COCCF d469c79637b991c6fca3d07cba643bba [0,1,0,0,0,0|3,0,0]=4 400 B7R0.4 NC(=O)COCCS cb3082506d52145df233a7d6870ad15a [0,1,0,0,0,0|3,0,0]=4 401 B7R0.4 NC(=O)NCOCF 223fa95252602925b8cb08f5b19a776e [0,1,0,0,0,0|2,1,0]=4 402 B7R0.4 NC(=S)CCNCF 62012331f0f1d467ca5d05133af230db [0,1,0,0,0,0|2,1,0]=4 403 B7R0.4 NC(=S)CCNCO b1a1fcd18ad0532e4bcb643182feba55 [0,1,0,0,0,0|2,1,0]=4 404 B7R0.4 O=C(O)CCNCF 05f9560a9c5090f2158d127e76253bb5 [0,1,0,0,0,0|2,0,0]=3 405 B7R0.4 O=C(O)CCNCO 4eda81a5ddb9ef19630be70331f35e71 [0,1,0,0,0,0|2,0,0]=3 406 B7R0.4 O=C(O)CCOCF 47a2f1a64d70f1fd70ee05dd145bf666 [0,1,0,0,0,0|1,1,0]=3 407 B7R0.4 O=C(O)CNCCBr 8130f29cad0df7ca3ee5b483ea3f0ae7 [0,1,0,0,0,0|3,0,0]=4 408 B7R0.4 O=C(O)CNCCF 6ae595578428cb8e8437866b629b8546 [0,1,0,0,0,0|3,0,0]=4 409 B7R0.4 O=C(O)CNCCI b126f2904311dc397f067e9011020ab9 [0,1,0,0,0,0|3,0,0]=4 410 B7R0.4 O=C(O)CNCCO 8a2a254c2a92a8e0b0d875df2fbb7a98 [0,1,0,0,0,0|3,0,0]=4 411 B7R0.4 O=C(O)CNCCS a3afb9ba49fa1ab4342d38d48d1d7ee5 [0,1,0,0,0,0|3,0,0]=4 412 B7R0.4 O=C(O)COCCF 0bf6b93a21a854bfb19752b49752a6aa [0,1,0,0,0,0|3,0,0]=4 413 B7R0.4 O=C(O)COCCS d255bc31bb2be8a37fe42b47fabd36dd [0,1,0,0,0,0|3,0,0]=4 414 B7R0.4 O=CCNCC(=O)O 08ed280de66551066677a6ffd3df2c93 [0,1,0,0,0,0|3,0,0]=4 415 B7R0.4 O=CCOCC(=O)O af4627a358303a05a36059ce17b001ba [0,1,0,0,0,0|3,0,0]=4 416 B7R0.4 O=S(O)CCNCF 5944b9373ff00d58b6529129c165d8a2 [0,1,0,0,0,0|3,0,0]=4 417 B7R0.4 O=S(O)CCNCO fb9e10441f05965bf0dcfe0aab296669 [0,1,0,0,0,0|3,0,0]=4 418 B7R0.4 O=[N+]([O-])CCOCF 048ee64abce7b74ac8debb2e802099ad [0,1,0,0,0,0|2,1,0]=4 419 B7R0.5 C#CCN(C)C(=O)C 4c2838202c8d4a7447032fb8e60c10bd [0,1,0,0,0,0|2,0,1]=4 420 B7R0.5 C=CCN(C)C(=O)C 77714e98bf9639848b13a6be6674f5f4 [0,1,0,0,0,0|2,0,1]=4 421 B7R0.5 CC(=O)C(C)NC#N e4d49c900f9d6cdb7977169c84d66254 [0,1,0,0,0,0|3,0,0]=4 422 B7R0.5 CC(=O)C(C)OCF 7c6a7a2752d146ccb367c2a6ec272a5d [0,1,0,0,0,0|3,0,0]=4 423 B7R0.5 CC(=O)N(C)CC#N cce5ba08a0b5b4e42f2a8adc17c92fd8 [0,1,0,0,0,0|3,0,0]=4 424 B7R0.5 CC(=O)N(C)CCF 4c9e9e2bb017d5fcf5d5113705af3b65 [0,1,0,0,0,0|3,0,0]=4 425 B7R0.5 CC(=O)N(C)CCO ba457e3be79fea19f791558c60ef2a77 [0,1,0,0,0,0|3,0,0]=4 426 B7R0.5 CCCN(C)C(=O)C 2d9bc06e064dcb0b82800ab570f2482e [0,1,0,0,0,0|2,0,0]=3 427 B7R0.5 CCNC(C)C(=O)N 7d9101ed45213ee882e4c1680fbf78d8 [0,1,0,0,0,0|3,0,0]=4 428 B7R0.5 CCNC(C)C(=O)O a9b19181316f90f96751c71a39f085a0 [0,1,0,0,0,0|3,0,0]=4 429 B7R0.5 CCNC(O)C(=O)O e57bdce4aa01317f2f019ff8528e5629 [0,1,0,0,0,0|3,0,0]=4 430 B7R0.5 CCN[C@@H](C)C(=O)N d3ef0fda784c6fd3be35dd07570fe081 [0,1,0,0,0,0|3,0,0]=4 431 B7R0.5 CCN[C@@H](C)C(=O)O fcc04b18ffb8702755c5613065d53d85 [0,1,0,0,0,0|3,0,0]=4 432 B7R0.5 CCN[C@H](C)C(=O)N ced1ae1ac0990c4f7a1ff4ddde70a04d [0,1,0,0,0,0|3,0,0]=4 433 B7R0.5 CCN[C@H](C)C(=O)O 461a17ce9e067f5c1d30933bc07d8775 [0,1,0,0,0,0|3,0,0]=4 434 B7R0.5 CCOC(C)C(=O)C 04432572fe22b740e86ca5259d0a3bbf [0,1,0,0,0,0|2,0,0]=3 435 B7R0.5 CCOC(C)C(=O)N 3ce53fe24b247e6bbc8d0161ba8adc8b [0,1,0,0,0,0|3,0,0]=4 436 B7R0.5 CCOC(C)C(=O)O 1968a3bf4eb23bbce80f27001c40e3aa [0,1,0,0,0,0|3,0,0]=4 437 B7R0.5 CCO[C@@H](C)C(=O)N 886b096e99d61dadf66cd020bfb7d1de [0,1,0,0,0,0|3,0,0]=4 438 B7R0.5 CCO[C@@H](C)C(=O)O f2b03ca68b0ab7d2700716b8fff09b6d [0,1,0,0,0,0|3,0,0]=4 439 B7R0.5 CCO[C@H](C)C(=O)N 8689cd95b03a5d9ff73691cd92fc4b07 [0,1,0,0,0,0|3,0,0]=4 440 B7R0.5 CCO[C@H](C)C(=O)O 156314018bee2c048aecc9ba30245a68 [0,1,0,0,0,0|3,0,0]=4 441 B7R0.5 CSCN(C)C(C)C 6bade958cb762672bfe3ad82fb307ca1 [0,1,0,0,0,0|2,0,1]=4 442 B7R0.6 C=C(Br)CNC(=O)C c92ce6fe27dbf36b4b4cd43120064bb5 [0,1,0,0,0,0|2,0,1]=4 443 B7R0.6 C=C(C)CNC(=O)C ba52d227895d114ee452b8b037813db9 [0,1,0,0,0,0|2,0,0]=3 444 B7R0.6 C=C(C)CNC(C)C a1a7325d3d8a8203023e8236e36cdc1a [0,1,0,0,0,0|3,0,0]=4 445 B7R0.6 C=C(C)COC(C)C 1163708fe8e5f25f773925b58859ae9a [0,1,0,0,0,0|3,0,0]=4 446 B7R0.6 CC(=O)CNC(=O)C 982808bac236d2eb3e7a5c9783b91d18 [0,1,0,0,0,0|2,0,0]=3 447 B7R0.6 CC(=O)CNC(C)C afe0e5afa4a4991702b8d7ba141d2521 [0,1,0,0,0,0|2,0,0]=3 448 B7R0.6 CC(=O)COC(C)C 8e58824c7076e094538494c263248304 [0,1,0,0,0,0|2,0,0]=3 449 B7R0.6 CC(=O)NCC(=O)N 92f9d7b7dd1ea6db16db7dd9d0e64155 [0,1,0,0,0,0|3,0,0]=4 450 B7R0.6 CC(=O)NCC(C)C 133e349c691ad200ad773179becc5ae8 [0,1,0,0,0,0|2,0,0]=3 451 B7R0.6 CC(=O)NCC(C)O 0ffb7326836e65b1a201fca72ad947e5 [0,1,0,0,0,0|2,0,0]=3 452 B7R0.6 CC(=O)NCC(F)F 959be05a9a4844ba21e7e7426b42132e [0,1,0,0,0,0|3,0,0]=4 453 B7R0.6 CC(=O)NC[C@@H](C)O f988b940337d1dc00ccd246da11ece9f [0,1,0,0,0,0|2,0,0]=3 454 B7R0.6 CC(=O)NC[C@H](C)O 1a6130441852f98535cb020ca3c20f02 [0,1,0,0,0,0|2,0,0]=3 455 B7R0.6 CC(C)NCC(=O)N fce70d443053108c75f9dd76e148c70e [0,1,0,0,0,0|3,0,0]=4 456 B7R0.6 CC(C)NCC(=O)O 43feb4147baaae13baaa9c5f09499603 [0,1,0,0,0,0|3,0,0]=4 457 B7R0.6 CC(C)OCC(=O)N 2925a3543d892638d60eb7349262c8f3 [0,1,0,0,0,0|3,0,0]=4 458 B7R0.6 CC(C)OCC(=O)O 4f99bad05a342ea59eb9c6b2912ac68e [0,1,0,0,0,0|3,0,0]=4 459 B7R0.8 CSCNC(C)(C)C f8dc1bf783c8bcac4db13c58c9d3a808 [0,1,0,0,0,0|2,0,1]=4 460 B7R1.7 CSCNC1CC1 0c824667fb972af505e34e3d4012a12e [0,0,0,1,0,0|2,0,1]=4 461 B7R1.7 CSCOC1CC1 31d94a402b0c255e4d0b0577bbb73612 [0,0,0,1,0,0|2,0,1]=4 462 B7R1.18 CC(=O)N1CCC1 8143f596a7f046e54d5db8a61549ab26 [0,0,0,1,0,0|2,0,0]=3 463 B7R1.20 CC(=O)NC1CC1 d75fb765a64005f603eb0ff25694647c [0,0,0,1,0,0|2,0,0]=3 464 B6R0.1 C=C(C=O)OCC 64c18fcc04a22b045ebc35a9eb4d4363 [1,1,0,0,0,0|1,0,1]=4 465 B6R0.1 CCCN(C)C=O f55d615150194d8a2881f113e75957ad [1,1,0,0,0,0|1,0,0]=3 466 B6R0.1 CCCN(C)CC 063caa89be0fdd356f6455d1751457ac [1,1,0,0,0,0|2,0,0]=4 467 B6R0.1 CCCN(C)CF 5c995bfd39cfefd185b6001ca8e730f3 [1,1,0,0,0,0|2,0,0]=4 468 B6R0.1 CCCN(C)CO fa8c399923bf908abe4d1198e252c43d [1,1,0,0,0,0|1,0,1]=4 469 B6R0.1 CCN(C)CCS 1ccbd256497b3a342f1d9474525ca49a [1,1,0,0,0,0|2,0,0]=4 470 B6R0.1 CCN(C)CSC 613c63b39ee46a6bdda90b076e70e35a [1,1,0,0,0,0|2,0,0]=4 471 B6R0.1 CCOC(C)C=O 4021b7076259f80e1751543881198165 [1,1,0,0,0,0|1,0,1]=4 472 B6R0.1 CN(C=O)CCF 566a91d7f905563b8be9527ff042caf1 [1,1,0,0,0,0|2,0,0]=4 473 B6R0.1 CN(C=O)CCO dd7ac64299075a3391875b374e6c88cd [1,1,0,0,0,0|1,1,0]=4 474 B6R0.3 CCN(C)C(=O)C ad9227383f4996d412a5ced11e9c5417 [1,1,0,0,0,0|1,0,0]=3 475 B6R0.6 C#CCCNC=O aa269773c8a959e33bab616c22811c21 [1,1,0,0,0,0|1,0,1]=4 476 B6R0.6 C#CCNCC=O 2d271f91af459c7d98ae98c96855a1c5 [1,1,0,0,0,0|1,0,1]=4 477 B6R0.6 C#CCNCSC 69915d57a8223b03b8361fb9c38f7a03 [1,1,0,0,0,0|0,0,2]=4 478 B6R0.6 C#CCOCC=O 83c8c50ba7b73a19d193c552cc20f1a0 [1,1,0,0,0,0|1,0,1]=4 479 B6R0.6 C#CCOCSC 52002a13a3c2019ebe79ada1718575f3 [1,1,0,0,0,0|0,0,2]=4 480 B6R0.6 C/C=C/COCC 38bee8c8a9ca6a51c65d50ef4a373d85 [1,1,0,0,0,0|0,1,1]=4 481 B6R0.6 C/C=C/COCF f876c9a9946a26dc2666a1d7b3c464e2 [1,1,0,0,0,0|0,1,1]=4 482 B6R0.6 C/C=C\COCC ec2c513a47c68c3910a66e2b1ca05a58 [1,1,0,0,0,0|0,1,1]=4 483 B6R0.6 C/C=C\COCF 4437c9e2b6a458c6fd2a427b36a619ed [1,1,0,0,0,0|0,1,1]=4 484 B6R0.6 C=CCCNC=O a6a3667816b08fca4eaa9dc35c7e2849 [1,1,0,0,0,0|1,0,1]=4 485 B6R0.6 C=CCCNCC e2aebda5e16fd2d2916f2bc1829c315b [1,1,0,0,0,0|1,0,1]=4 486 B6R0.6 C=CCCNCF fca4fb2fca81e90a9b1427341f54ef98 [1,1,0,0,0,0|1,0,1]=4 487 B6R0.6 C=CCCNCO 0a9cf06e380bbffa5545f8e95188ea7b [1,1,0,0,0,0|1,0,1]=4 488 B6R0.6 C=CCCOCC 6e23d9941af9b2d0c85f8cbdda9dfc6d [1,1,0,0,0,0|0,1,1]=4 489 B6R0.6 C=CCCOCF 1140c1cbcbb8259323b1b9c3ac3dcca1 [1,1,0,0,0,0|0,1,1]=4 490 B6R0.6 C=CCNCCC 4ba17ed70ce803f63c3c4c2f245e9995 [1,1,0,0,0,0|1,0,1]=4 491 B6R0.6 C=CCOCCC 1dbb1c31b2e886af57d9e977bbb54c80 [1,1,0,0,0,0|1,0,1]=4 492 B6R0.6 C=CCOCOC 10a689a63bf52a96b5eea3af932877d6 [1,1,0,0,0,0|0,1,1]=4 493 B6R0.6 CC=CCNC=O 4f8730c7216653a335fe81630ffa3901 [1,1,0,0,0,0|1,0,1]=4 494 B6R0.6 CC=CCNCC bcab2e681f9487cbafa8d0c52ed70b5a [1,1,0,0,0,0|1,0,1]=4 495 B6R0.6 CC=CCNCF 92c4cdfc4b494474241467ecc4ab1212 [1,1,0,0,0,0|1,0,1]=4 496 B6R0.6 CC=CCNCO c2d6aa2f6263348f8e93d5ad39fb9704 [1,1,0,0,0,0|1,0,1]=4 497 B6R0.6 CC=CCOCC 1bf4842cf68ff7130be8f9549d740c80 [1,1,0,0,0,0|0,1,1]=4 498 B6R0.6 CC=CCOCF edbe5371c567ee2412f3784e58a84892 [1,1,0,0,0,0|0,1,1]=4 499 B6R0.6 CCCCNC=O 1d6cf15c52b7bdddc1e5bbdb0b9deb3d [1,1,0,0,0,0|1,0,0]=3 500 B6R0.6 CCCCNCC 92b5580e2e0a5bde623d85d4114fa5b8 [1,1,0,0,0,0|1,0,1]=4 501 B6R0.6 CCCCNCF 2dc017f5f1e2c9397dbf0c4166cd224f [1,1,0,0,0,0|1,0,1]=4 502 B6R0.6 CCCCNCO 618fd93ff0c440b25c4141ff5dfc5703 [1,1,0,0,0,0|1,0,1]=4 503 B6R0.6 CCCCOCC 95dd02bf16a1c429e6d73e015abd355f [1,1,0,0,0,0|0,1,1]=4 504 B6R0.6 CCCCOCF 0477e5eebf9ea464372af9c3f610bbb3 [1,1,0,0,0,0|0,1,1]=4 505 B6R0.6 CCCNCC=O 6f90aab08cc8a4799f8c9819fe03dcf0 [1,1,0,0,0,0|1,0,0]=3 506 B6R0.6 CCCNCCC 1b094650055fd0b18522f92a665c0499 [1,1,0,0,0,0|1,0,1]=4 507 B6R0.6 CCCNCOC e97c2d5a22ce001afa1236daa1cad7bc [1,1,0,0,0,0|0,1,1]=4 508 B6R0.6 CCCNCSC 9d2bba1337aa149b0d3e1fa022653bf5 [1,1,0,0,0,0|0,0,1]=3 509 B6R0.6 CCCOCC=O a311990c6ea11edb5945b3bbc64330c1 [1,1,0,0,0,0|1,0,0]=3 510 B6R0.6 CCCOCCC 0a4e87c7914309a78635e74e08d2777c [1,1,0,0,0,0|1,0,1]=4 511 B6R0.6 CCCOCOC c11e71c41afe194d616e687f4176c864 [1,1,0,0,0,0|0,1,1]=4 512 B6R0.6 CCCOCSC 1c1d3e4eeaee5d66440c30d368585d8f [1,1,0,0,0,0|0,0,1]=3 513 B6R0.6 CCNCCOC f1fb223c89b0752d151e88a41e5b29d9 [1,1,0,0,0,0|0,1,1]=4 514 B6R0.6 CCNCCSC 3a09ff3676749a10d2a9ca69484831c2 [1,1,0,0,0,0|0,0,1]=3 515 B6R0.6 CCOCCC=O d3b853feb6192f624a9d6e96cbf29efa [1,1,0,0,0,0|0,1,0]=3 516 B6R0.6 CCOCCOC dd0438a106c25c5532b546a1007f90ac [1,1,0,0,0,0|0,1,1]=4 517 B6R0.6 CCOCCSC 5ebca3b7e051ee8b31eb2b56fedcebce [1,1,0,0,0,0|0,0,1]=3 518 B6R0.6 COCCNC=O a492c5e448492de86be811dda47a14fa [1,1,0,0,0,0|0,1,0]=3 519 B6R0.6 COCCNCF e77dc04900c9c99d5994a5d30132520a [1,1,0,0,0,0|1,1,0]=4 520 B6R0.6 COCCNCO aeefc508a99790e9ff885514143e167b [1,1,0,0,0,0|1,1,0]=4 521 B6R0.6 COCCOCF c6fb5a621cf5e8cd94e24b0621578457 [1,1,0,0,0,0|1,1,0]=4 522 B6R0.6 COCOCC=O 8fbd0ca4cabb5e823c04e12302889616 [1,1,0,0,0,0|0,1,0]=3 523 B6R0.6 COCOCOC d3131f37af1710bbb3d5077bedf5507c [1,1,0,0,0,0|1,1,0]=4 524 B6R0.6 COCOCSC 260c220356aac0c84d20de9f8b1dabb1 [1,1,0,0,0,0|1,0,0]=3 525 B6R0.6 CSCCNC#N 600fd746ec0d58a2c56bd925339f8673 [1,1,0,0,0,0|1,0,1]=4 526 B6R0.6 CSCCNC=O 64c5f2b7b4373c36dc6e266bf8eaef67 [1,1,0,0,0,0|0,0,0]=2 527 B6R0.6 CSCCNCF f9e826d56784386e3fbd3943c2c335d4 [1,1,0,0,0,0|1,0,0]=3 528 B6R0.6 CSCCNCO d257ffa86b2e710c05d83eea0cd201f0 [1,1,0,0,0,0|1,0,0]=3 529 B6R0.6 CSCCOCF e4905492719aa8fe7bcec7641ead64f3 [1,1,0,0,0,0|1,0,0]=3 530 B6R0.6 CSCNCC#N 078cbee6de3daa83b37e1cc1437722ce [1,1,0,0,0,0|1,0,1]=4 531 B6R0.6 CSCNCCBr bcad065c861badf94807934e6680f65f [1,1,0,0,0,0|1,0,1]=4 532 B6R0.6 CSCNCCF 80c1e887cd7ee5f3261a9c98dd841f62 [1,1,0,0,0,0|1,0,1]=4 533 B6R0.6 CSCNCCI d531c5e507282acb11ff5d835981aa6c [1,1,0,0,0,0|1,0,1]=4 534 B6R0.6 CSCNCCO e6ff3afea97e31bf42a862cf845047cf [1,1,0,0,0,0|0,0,2]=4 535 B6R0.6 CSCNCCS b1c5df5844cf8935aabb3648e61465f2 [1,1,0,0,0,0|0,1,1]=4 536 B6R0.6 CSCOCC#N 86a9322be62d2f60d6a769d9f5959c98 [1,1,0,0,0,0|1,0,1]=4 537 B6R0.6 CSCOCCF 79adbc24d28c875ba839b99727b1e512 [1,1,0,0,0,0|1,0,1]=4 538 B6R0.6 CSCOCCS 4bd5c15be5c967caa94433f55b38b0fd [1,1,0,0,0,0|0,1,1]=4 539 B6R0.6 N#CCCNC=O ead702b50681892f7399896cd641fd6d [1,1,0,0,0,0|2,0,0]=4 540 B6R0.6 N#CCNCC=O 93c0064fad5c9e69de8dec7109df1460 [1,1,0,0,0,0|2,0,0]=4 541 B6R0.6 N#CCOCC=O abfc35e6464ed045d6375eb9d16c50eb [1,1,0,0,0,0|2,0,0]=4 542 B6R0.6 N#CNCCC=O db43936b11d02fdbc9f7aaa7e8de9214 [1,1,0,0,0,0|1,0,1]=4 543 B6R0.6 NOCCNC=O 3cd8cf494bfdeac35a731656d378f284 [1,1,0,0,0,0|1,1,0]=4 544 B6R0.6 O=CCCOCF 8caf1bfe380e15fd4f770dc31d80b710 [1,1,0,0,0,0|0,1,0]=3 545 B6R0.6 O=CCNCCBr 7f568f9e360d41a253fcf8819356fa07 [1,1,0,0,0,0|2,0,0]=4 546 B6R0.6 O=CCNCCF dd3d83ca6df75c2a1eb5d1658b3a79f1 [1,1,0,0,0,0|2,0,0]=4 547 B6R0.6 O=CCNCCI 6fab095304600b7f13dbb8e04b2ca4cb [1,1,0,0,0,0|2,0,0]=4 548 B6R0.6 O=CCNCCO e6f1437c7e7236c4dcd52e0503433b68 [1,1,0,0,0,0|2,0,0]=4 549 B6R0.6 O=CCNCCS 370a4d5b8fa12c00fc5b9baca6825542 [1,1,0,0,0,0|2,0,0]=4 550 B6R0.6 O=CCOCCF 52eac958c7e22959ee04b75c2f64dd9f [1,1,0,0,0,0|2,0,0]=4 551 B6R0.6 O=CCOCCS 87be380c7b8a8ef700f2d28d409dd9de [1,1,0,0,0,0|2,0,0]=4 552 B6R0.6 O=CNCCCCl 3c2b93c26ca4c02fdf2ab75c703ceca5 [1,1,0,0,0,0|2,0,0]=4 553 B6R0.6 O=CNCCCO a96c8d7ee94dc67d16d365c33488e6be [1,1,0,0,0,0|2,0,0]=4 554 B8R0.2 CCC(C)N(C)C(=O)C 086f7eb815f719734067083abba6aada [0,2,0,0,0,0|2,0,0]=4 555 B8R0.2 CCN(C)C(C)C(=O)C b0aebe8e13e2528b49b039e15b578c7c [0,2,0,0,0,0|2,0,0]=4 556 B8R0.5 C=C(C)CN(C)CCC 67a547626d9fe48bc4d555dd9d8ee25d [0,2,0,0,0,0|2,0,0]=4 557 B8R0.5 CC(=O)NC(C)CC#N 4c1eec26fa88af811b86b8c3ab1a2be6 [0,2,0,0,0,0|2,0,0]=4 558 B8R0.5 CC(=O)NC(C)CCO 31015bb8805fb64762d130a6b4b7d734 [0,2,0,0,0,0|2,0,0]=4 559 B8R0.5 CC(=O)N[C@@H](C)CCO 4818866c214b230552dc5531d2d7dacb [0,2,0,0,0,0|2,0,0]=4 560 B8R0.5 CC(=O)N[C@H](C)CCO d4f1175f550aed36e673eb7917598f76 [0,2,0,0,0,0|2,0,0]=4 561 B8R0.5 CC(CC(=O)N)OCF 3e264f2c27636c1a0f540c1f468797f4 [0,2,0,0,0,0|1,1,0]=4 562 B8R0.5 CC(CC(=O)O)NCF 84d4be16e4ac304aaa68ed4d36823324 [0,2,0,0,0,0|2,0,0]=4 563 B8R0.5 CC(CC(=O)O)NCO 10996b09f91fab84edb45bd9880e2318 [0,2,0,0,0,0|2,0,0]=4 564 B8R0.5 CC(CC(=O)O)OCF 14e16352da0b978e8e37b50cbc803026 [0,2,0,0,0,0|1,1,0]=4 565 B8R0.5 CCCC(C)NC(=O)C 1ed0caa6bab6b1d79a8ed0b0c0e539ad [0,2,0,0,0,0|1,0,0]=3 566 B8R0.5 CCCN(C)CC(=O)N eac556bb053ce72a83d81df49c8f321b [0,2,0,0,0,0|2,0,0]=4 567 B8R0.5 CCCN(C)CC(=O)O afce971a9549e09777d29f9620e7b765 [0,2,0,0,0,0|2,0,0]=4 568 B8R0.5 CCC[C@H](C)NC(=O)C 95c9eaebbb0a0de223f5b617f08585d8 [0,2,0,0,0,0|1,0,0]=3 569 B8R0.5 CCNC(C)CC(=O)O 29ac9bd89e468a34801bb550215ba942 [0,2,0,0,0,0|2,0,0]=4 570 B8R0.5 CCN[C@@H](C)CC(=O)O 40a529d5929c8901c8f2b9599ed898cd [0,2,0,0,0,0|2,0,0]=4 571 B8R0.5 CCN[C@H](C)CC(=O)O 2f28d4f7bc57f1ad1bf5a4eebcdf11f3 [0,2,0,0,0,0|2,0,0]=4 572 B8R0.5 CCOC(C)CC(=O)N a247fc098cd9bc50b0c7b9371cf4fcb5 [0,2,0,0,0,0|1,1,0]=4 573 B8R0.5 CCOC(C)CC(=O)O 20f52735b4f115013d658aa30fd851a1 [0,2,0,0,0,0|1,1,0]=4 574 B8R0.5 CCO[C@@H](C)CC(=O)O 2297bbd28bfec2b7a3315f1a1eca242e [0,2,0,0,0,0|1,1,0]=4 575 B8R0.5 CCO[C@H](C)CC(=O)O ccc8e46cafa360247330bb81a3001d13 [0,2,0,0,0,0|1,1,0]=4 576 B8R0.5 COCC(C)NC(=O)C d3030be71efb57415a6640caba792cb5 [0,2,0,0,0,0|0,1,0]=3 577 B8R0.5 COCN(C)CC(=O)N 883b5fd21ac0fa4c080e391aedf41537 [0,2,0,0,0,0|1,1,0]=4 578 B8R0.5 COCN(C)CC(=O)O 38182438be3a4fb938d35352c6bcaa17 [0,2,0,0,0,0|1,1,0]=4 579 B8R0.5 COC[C@@H](C)NC(=O)C e26de4ebd7327dac480ea010b3a6df2f [0,2,0,0,0,0|0,1,0]=3 580 B8R0.5 COC[C@H](C)NC(=O)C 4d6a771b34650f584286aeb4b67fe92b [0,2,0,0,0,0|0,1,0]=3 581 B8R0.5 CSCC(C)OC(C)C f21107a5d5a62c97312908cbb5e0f355 [0,2,0,0,0,0|1,0,1]=4 582 B8R0.5 CSCN(C)CC(=O)N 95b0cce82a1be92513ca60f76f2c4e94 [0,2,0,0,0,0|1,0,0]=3 583 B8R0.5 CSCN(C)CC(=O)O f4126c72edd8ab40e4f0e1149e0c0772 [0,2,0,0,0,0|1,0,0]=3 584 B8R0.5 CSCN(C)CC(C)C b4880058f7b62851863b99827752cd7e [0,2,0,0,0,0|1,0,1]=4 585 B8R0.5 CSCN(C)CC(C)O 19b09d20f60ba10a7233c42a0094d940 [0,2,0,0,0,0|0,0,2]=4 586 B8R0.5 CSCN(C)C[C@H](C)O a1cd0a54d282bd0dcdd24b2e9143dd2d [0,2,0,0,0,0|0,0,2]=4 587 B8R0.5 C[C@@H](CC(=O)O)NCF 7b4409b263377324cee992cead4d4496 [0,2,0,0,0,0|2,0,0]=4 588 B8R0.5 C[C@@H](CC(=O)O)NCO 6f9af837429cbf13d74a82abb33116db [0,2,0,0,0,0|2,0,0]=4 589 B8R0.5 C[C@@H](CC(=O)O)OCF 3a1dfbb8c5aec4e4079809a87b6b3981 [0,2,0,0,0,0|1,1,0]=4 590 B8R0.5 C[C@H](CC(=O)O)NCF 6a82f1327e74ba81c2a6e57eb4cb9aac [0,2,0,0,0,0|2,0,0]=4 591 B8R0.5 C[C@H](CC(=O)O)NCO 3ee6882c6b18b0aec7272fad595282f5 [0,2,0,0,0,0|2,0,0]=4 592 B8R0.5 C[C@H](CC(=O)O)OCF 913e08b306bc95c6771408b42aad5ed2 [0,2,0,0,0,0|1,1,0]=4 593 B8R0.16 CCC(CC)NC(=O)C 4ed89f720f0f05324cf79f8a98baf869 [0,2,0,0,0,0|2,0,0]=4 594 B8R0.16 CCC(CO)NC(=O)C 0fc969f502a685ac3a30dff22859fa62 [0,2,0,0,0,0|2,0,0]=4 595 B8R0.16 CC[C@@H](CO)NC(=O)C ec21a63ea250126e0e8e11da71f403ff [0,2,0,0,0,0|2,0,0]=4 596 B8R0.16 CC[C@H](CO)NC(=O)C 6d8228e87e113704ba8a910f796088e1 [0,2,0,0,0,0|2,0,0]=4 597 B8R0.19 CCC(=O)CN(C)CC 5ff470863ab78226aff558b26acaa6bb [0,2,0,0,0,0|2,0,0]=4 598 B8R0.19 CCC(=O)NC(C)CC 276f63d9911911bef583b63399d6babf [0,2,0,0,0,0|2,0,0]=4 599 B8R0.19 CCC(=O)N[C@@H](C)CC 5015556f6119dada9330f459ef8b4a95 [0,2,0,0,0,0|2,0,0]=4 600 B8R0.19 CCC(=O)N[C@H](C)CC 0aeecce7ca86d9a6cf7c4003d6b8deb5 [0,2,0,0,0,0|2,0,0]=4 601 B8R0.19 CCC(C)NC(=O)CF be99e999222b335d1cb75f36b6d9cd45 [0,2,0,0,0,0|2,0,0]=4 602 B8R0.19 CCC(C)NC(=O)CO 33a44afa4449469b04b268f3719a3e59 [0,2,0,0,0,0|2,0,0]=4 603 B8R0.19 CCC(C)NC(=O)CS 2bbecd1472ce4a0c07af9c3693119c31 [0,2,0,0,0,0|2,0,0]=4 604 B8R0.19 CCC(O)CN(C)C=O a5ca11d122e7bb722666ea345a9e6e66 [0,2,0,0,0,0|2,0,0]=4 605 B8R0.19 CCN(C)CC(=O)CO cfedb43af4bce24aac2f06a8534d30e0 [0,2,0,0,0,0|2,0,0]=4 606 B8R0.19 CCN(C)CC(=O)NC 8baa1dde5886fc0147e3d3c2a9f34306 [0,2,0,0,0,0|2,0,0]=4 607 B8R0.19 CCN(C)CC(=O)OC dc6eaad4d2fa330c4e11c97ae3abe5a3 [0,2,0,0,0,0|2,0,0]=4 608 B8R0.19 CC[C@@H](C)NC(=O)CF 972ccf96eab46daa18ae78e952074e33 [0,2,0,0,0,0|2,0,0]=4 609 B8R0.19 CC[C@@H](C)NC(=O)CO 102bc53795a33daa61b0e6c2cdbc40e6 [0,2,0,0,0,0|2,0,0]=4 610 B8R0.19 CC[C@@H](C)NC(=O)CS 6576ffdd87c3ad0b66c846698b8c9218 [0,2,0,0,0,0|2,0,0]=4 611 B8R0.19 CC[C@H](C)NC(=O)CF 4effc7db6392db0aa027693c9704097d [0,2,0,0,0,0|2,0,0]=4 612 B8R0.19 CC[C@H](C)NC(=O)CO 7070ce3ef500a05442ee4538ea055e46 [0,2,0,0,0,0|2,0,0]=4 613 B8R0.19 CC[C@H](C)NC(=O)CS 035bd81fae7cc99474ceaac0a841b71d [0,2,0,0,0,0|2,0,0]=4 614 B8R0.23 CC(=O)C(C)OC(C)C 2d86abe06727762a40b9ab2fefeb12d2 [0,2,0,0,0,0|2,0,0]=4 615 B8R0.23 CC(=O)N(C)CC(C)C 89cec52088ed29050ddede06aaad4a16 [0,2,0,0,0,0|2,0,0]=4 616 B8R0.23 CC(=O)N(C)CC(C)O 4e9ef38fdc27d4895833669b87ebf855 [0,2,0,0,0,0|2,0,0]=4 617 B8R0.23 CC(=O)N(C)C[C@H](C)O 021150eee8136a4b9cf5a9a8729a45c5 [0,2,0,0,0,0|2,0,0]=4 618 B8R0.23 CC(=O)NC(C)C(C)C 44e61c71c404e93b61e4ebb2d17acd25 [0,2,0,0,0,0|2,0,0]=4 619 B8R0.23 CC(=O)NC(C)C(C)O 82d78b22fd9c1b1cb9a6f73c5b23c29f [0,2,0,0,0,0|2,0,0]=4 620 B8R0.23 CC(=O)N[C@@H](C)C(C)C 020b2d58d09d222117d5a013059e1c42 [0,2,0,0,0,0|2,0,0]=4 621 B8R0.23 CC(=O)N[C@H](C)C(C)C 1a8a59449f9523fa08b3f0d029907e07 [0,2,0,0,0,0|2,0,0]=4 622 B8R0.34 CCC(C)(C)NC(=O)C 840c3fecba24f983e5795d9efa511b8c [0,2,0,0,0,0|2,0,0]=4 623 B8R0.1 C#CCC(=O)NCCC 02e18d00f6cac127c3ba925ff7cc6fd1 [0,2,0,0,0,0|2,0,0]=4 624 B8R0.1 C#CCN(C)CCSC 7e362c59a4f0090219a391dce19a4a21 [0,2,0,0,0,0|2,0,0]=4 625 B8R0.1 C/C=C/C(=O)NCCC 3112d70c0159afb044aaeb01584dde68 [0,2,0,0,0,0|2,0,0]=4 626 B8R0.1 C=CCC(=O)NCCC 0464f3619ee0131de1206f24520111fa [0,2,0,0,0,0|2,0,0]=4 627 B8R0.1 C=CCN(C)CCSC ee9f42aa31f4a8a97ec7d7c915a6bf5a [0,2,0,0,0,0|2,0,0]=4 628 B8R0.1 CC#CC(=O)NCCC f3929637650271102a5b6c505641e7e8 [0,2,0,0,0,0|2,0,0]=4 629 B8R0.1 CCCC(=S)OCSC aaf32ff7376d2185d5b81bb017266ecd [0,2,0,0,0,0|1,1,0]=4 630 B8R0.1 CCCCC(=O)NC#N 2fe7c425eb1622681eebf36d3ea640ff [0,2,0,0,0,0|1,0,1]=4 631 B8R0.1 CCCCC(C)NC=O 203907a44368850c8dee59ecad001a1f [0,2,0,0,0,0|1,0,1]=4 632 B8R0.1 CCCCN(C)CC=O 0b9f4b899180868f46e162e3fdd5a057 [0,2,0,0,0,0|2,0,0]=4 633 B8R0.1 CCCC[C@@H](C)NC=O 85ae0f7eb97c9ecc6858b3133cc13253 [0,2,0,0,0,0|1,0,1]=4 634 B8R0.1 CCCN(C)CCSC 124c992bab27aab465124a43552a6d9d [0,2,0,0,0,0|2,0,0]=4 635 B8R0.1 CCCNC(=O)CC#N a35df4e334c2327f92e0bafe31098739 [0,2,0,0,0,0|2,0,0]=4 636 B8R0.1 CCCNC(=O)CC=O c387c4bc3ea86b21200effc59fe151db [0,2,0,0,0,0|2,0,0]=4 637 B8R0.1 CCCNC(=O)CCC 3a4ef615081398a2acfdf5d3349655c4 [0,2,0,0,0,0|2,0,0]=4 638 B8R0.1 CCCNC(=O)CCF 80cac466548133e31f593852e3638107 [0,2,0,0,0,0|2,0,0]=4 639 B8R0.1 CCCNC(=O)CCO 1e17d6cf040450a0042d7883a84b4d20 [0,2,0,0,0,0|2,0,0]=4 640 B8R0.1 CCCNC(=O)CCS 5ca47d6ccf33cee73df146cfd5794783 [0,2,0,0,0,0|2,0,0]=4 641 B8R0.1 CCCNC(=O)COC d992f0c3466a56e61d0974e6b6e8669f [0,2,0,0,0,0|2,0,0]=4 642 B8R0.1 CCCNC(=O)CON 9840c2139f1e78498e25b8fce4d164d2 [0,2,0,0,0,0|2,0,0]=4 643 B8R0.1 CCCNC(=O)CSC 6ae58cb75ea789964eebc3d4df556317 [0,2,0,0,0,0|2,0,0]=4 644 B8R0.1 CCNC(=O)COCC c84e7c49da6c2baea65be933f5b80bea [0,2,0,0,0,0|2,0,0]=4 645 B8R0.1 CCNCC(=O)NCC 85e3c6c463358c2ceb6c3f3c07ea189c [0,2,0,0,0,0|2,0,0]=4 646 B8R0.1 CCNCC(=O)OCC 13e479e123264c7bc2cd9986b04b4c24 [0,2,0,0,0,0|2,0,0]=4 647 B8R0.1 CCOC(C)CCSC 324d3536b5929c293af9b175b80533e8 [0,2,0,0,0,0|0,0,2]=4 648 B8R0.1 CCOCC(=O)OCC a71429e2784f27b770f80be9d4ceb826 [0,2,0,0,0,0|2,0,0]=4 649 B8R0.1 COCCC(=O)NC#N 0164696a986e1f0378c0b9e07c237c02 [0,2,0,0,0,0|0,1,1]=4 650 B8R0.1 COCCN(C)CC=O c7dafc3b396de10656291e435de6410a [0,2,0,0,0,0|1,1,0]=4 651 B8R0.1 COCN(C)CCSC 602ce5b7bc7a225ea70b75ddd3304e98 [0,2,0,0,0,0|1,0,1]=4 652 B8R0.1 CSCCC(=O)NC#N aef0d4e74706fd59073e203e77c34320 [0,2,0,0,0,0|0,0,1]=3 653 B8R0.1 CSCCC(C)OCF ca44d8152c82433feb356f43eb2aa4aa [0,2,0,0,0,0|0,0,2]=4 654 B8R0.1 CSCCN(C)CC#N b20f36d40ca87cea9b936f7c4acdd072 [0,2,0,0,0,0|2,0,0]=4 655 B8R0.1 CSCCN(C)CC=O 89a7838ed9276e35ce7d12178b247609 [0,2,0,0,0,0|1,0,0]=3 656 B8R0.1 CSCCN(C)CCF 009b8e27e8e790d3ca2e81faf9ac0f0f [0,2,0,0,0,0|2,0,0]=4 657 B8R0.1 CSCCN(C)CCO 85eeedbf06a800beafc41e04d578329f [0,2,0,0,0,0|1,0,1]=4 658 B8R0.1 CSCCN(C)CCS 81ba41fb7d6f3f42166f9514690c9e2c [0,2,0,0,0,0|1,1,0]=4 659 B8R0.1 CSCCN(C)CSC 2fe8ec926878f90934ccdb2b3a5d1e07 [0,2,0,0,0,0|1,1,0]=4 660 B8R0.1 CSSCC(=O)NC#N 679d89448bf7650a255c7f4ed89b302b [0,2,0,0,0,0|1,0,1]=4 661 B8R0.3 CCCN(C)C(=O)CC ad1ab8a0f5c07e6ab73ee22aeb9c71a9 [0,2,0,0,0,0|2,0,0]=4 662 B8R0.3 CCCN(C)C(=O)CF 080c0d4ce746cadf5e3f0d9a56835299 [0,2,0,0,0,0|2,0,0]=4 663 B8R0.3 CCCN(C)C(=O)CO daa5d896fade5a1be51c39257fa3d5b8 [0,2,0,0,0,0|2,0,0]=4 664 B8R0.3 CCCN(C)C(=O)CS bcfb0bbfdb716f32aeb6ae13debe4701 [0,2,0,0,0,0|2,0,0]=4 665 B8R0.3 CCNC(C)C(=O)NC 54efcfcba9f244b93d368cc4afd291fa [0,2,0,0,0,0|2,0,0]=4 666 B8R0.3 CCOC(C)C(=O)OC 80e77c6690e50b9ea6c936f76ec2b497 [0,2,0,0,0,0|2,0,0]=4 667 B8R0.3 CCO[C@@H](C)C(=O)OC 0a1ea57ffacb6be3b6716af86dc8a3ee [0,2,0,0,0,0|2,0,0]=4 668 B8R0.3 CCO[C@H](C)C(=O)OC e42a135486ef83da240a803941dd4003 [0,2,0,0,0,0|2,0,0]=4 669 B8R0.6 C#CC(=O)NCCCC 7b05ebf03d7d7168df7348c28a985d62 [0,2,0,0,0,0|1,0,1]=4 670 B8R0.6 C#CC(=O)NCCOC 27d5f534cf46c1b30aac020f37738689 [0,2,0,0,0,0|0,1,1]=4 671 B8R0.6 C#CC(=O)NCCSC 1d2889159a53b2ae0146f8d2c63c8c49 [0,2,0,0,0,0|0,0,1]=3 672 B8R0.6 C#CC(C)NCCSC a9e885edc9802bcd8adbff901d19adf3 [0,2,0,0,0,0|1,0,1]=4 673 B8R0.6 C#CC(C)OCCSC d6b22fe23f522e8f889574142a499004 [0,2,0,0,0,0|1,0,1]=4 674 B8R0.6 C#CCCNC(=O)CC 675df9b37ab5c9ee6d5c9db4e0b3cee9 [0,2,0,0,0,0|1,0,1]=4 675 B8R0.6 C#CCCNC(=O)CF f661d89f3d3636e8d1212d00c0cb7691 [0,2,0,0,0,0|1,0,1]=4 676 B8R0.6 C#CCCNC(=O)CO 245d05e33dd6d7c5b17cadbb8fcf8809 [0,2,0,0,0,0|1,0,1]=4 677 B8R0.6 C#CCCNC(=O)CS b02d4aacbc2726a1dcd91cf310ea6a30 [0,2,0,0,0,0|1,0,1]=4 678 B8R0.6 C#CCNCC(=O)CC c306a58106d871d66f9632f16da5a734 [0,2,0,0,0,0|1,0,1]=4 679 B8R0.6 C#CCNCC(=O)CO a3c792cf03c227602ef2fbb618cf5767 [0,2,0,0,0,0|1,0,1]=4 680 B8R0.6 C#CCNCC(=O)NC 0734edd1a455cb52847005383d65287a [0,2,0,0,0,0|1,0,1]=4 681 B8R0.6 C#CCNCC(=O)OC 45a330447218442f782052439de91cbb [0,2,0,0,0,0|1,0,1]=4 682 B8R0.6 C#CCOCC(=O)CC 432ed08c7ed6528d6b4d9248e66c13d7 [0,2,0,0,0,0|1,0,1]=4 683 B8R0.6 C#CCOCC(=O)NC c431f788de734fb576e66eb9c43d15bd [0,2,0,0,0,0|1,0,1]=4 684 B8R0.6 C#CCOCC(=O)OC 1936252f7aa08c2478ab6a51c2564247 [0,2,0,0,0,0|1,0,1]=4 685 B8R0.6 C#C[C@@H](C)NCCSC 5269dd065a92b6f33f86981441b3809c [0,2,0,0,0,0|1,0,1]=4 686 B8R0.6 C#C[C@@H](C)OCCSC e50a58f5ccae490d6355478f26a54946 [0,2,0,0,0,0|1,0,1]=4 687 B8R0.6 C#C[C@H](C)NCCSC 0d3c502dd79f296e487f234497bf7252 [0,2,0,0,0,0|1,0,1]=4 688 B8R0.6 C#C[C@H](C)OCCSC 8d841c2dac211e510b6459052038b3d0 [0,2,0,0,0,0|1,0,1]=4 689 B8R0.6 C=C(C#N)COCSC 9147fff9e78997dd96cbe8f892034e6c [0,2,0,0,0,0|1,0,1]=4 690 B8R0.6 C=C(C=O)OCCCC 6ce71ca855175b3f8b8b50951f61cb4c [0,2,0,0,0,0|1,0,1]=4 691 B8R0.6 C=C(C=O)OCCOC 8adae63bd2505248918f320832a88b6d [0,2,0,0,0,0|0,1,1]=4 692 B8R0.6 C=C(C=O)OCCSC bcf62c6c6fadd7ac5b12dbbe58c89f04 [0,2,0,0,0,0|0,0,1]=3 693 B8R0.6 C=C(CC)CNCCC 13f11be9634d172790672a2fd9a9840c [0,2,0,0,0,0|2,0,0]=4 694 B8R0.6 C=C(CC)COCCC 9a03753bc1b5bbc7ba706f1688ccd4c0 [0,2,0,0,0,0|2,0,0]=4 695 B8R0.6 C=C(CC)COCOC 8620d2b3e026d934a9f25c9b8e5eed2b [0,2,0,0,0,0|1,1,0]=4 696 B8R0.6 C=C(CNCCC)OC 087b8e9db7c5cf69f544a95d2e04b5df [0,2,0,0,0,0|2,0,0]=4 697 B8R0.6 C=C(CO)CNCCC 1a3d72efe9d3ce84e285b2c8b91ed59f [0,2,0,0,0,0|2,0,0]=4 698 B8R0.6 C=C(COCCC)OC 35a576a479e84b27dbf4c71b4925086f [0,2,0,0,0,0|2,0,0]=4 699 B8R0.6 C=C(COCOC)OC ecada7a2d0836d223f9478db3a9a4d4b [0,2,0,0,0,0|1,1,0]=4 700 B8R0.6 C=CC(=O)NCCCC 4c95ec79288c2f88fcb23d3a93f15b5c [0,2,0,0,0,0|1,0,1]=4 701 B8R0.6 C=CC(=O)NCCOC b4d5b95024e0e2b99e47a72a56678c9c [0,2,0,0,0,0|0,1,1]=4 702 B8R0.6 C=CC(=O)NCCSC a0da03e1803175b8dbc6aea3d0fc86fe [0,2,0,0,0,0|0,0,1]=3 703 B8R0.6 C=CC(C)COCSC d60c37c9b8b9544a4942aa0b359a9dd7 [0,2,0,0,0,0|1,0,1]=4 704 B8R0.6 C=CC(C)NCCSC 8425f511f44ba9a1b0ec38b4e3fde6ae [0,2,0,0,0,0|1,0,1]=4 705 B8R0.6 C=CC(C)OCCSC c47a8adc31b21580a72d0c35a8639530 [0,2,0,0,0,0|1,0,1]=4 706 B8R0.6 C=CCCNC(=O)CC ff184ef1399f6dc8c7e919b7f0c5c0dc [0,2,0,0,0,0|1,0,1]=4 707 B8R0.6 C=CCCNC(=O)CF e595841bb3a8b037270fdd22525fb536 [0,2,0,0,0,0|1,0,1]=4 708 B8R0.6 C=CCCNC(=O)CO 98f6aad136129263a9e12af8510e3e51 [0,2,0,0,0,0|1,0,1]=4 709 B8R0.6 C=CCCNC(=O)CS 50f27b0b579982ff12be8d4c6808e465 [0,2,0,0,0,0|1,0,1]=4 710 B8R0.6 C=CCNCC(=O)NC f548b9ed621af83174e69d5d65b71e11 [0,2,0,0,0,0|1,0,1]=4 711 B8R0.6 C=CCNCC(=O)OC 149a449e2131ace3a8ad23121b53b8be [0,2,0,0,0,0|1,0,1]=4 712 B8R0.6 C=CCOCC(=O)CC 048d3235ebc96f1d1022e6a0b9b0b262 [0,2,0,0,0,0|1,0,1]=4 713 B8R0.6 C=CCOCC(=O)NC 78ae20439406612f9980a44f6c28e411 [0,2,0,0,0,0|1,0,1]=4 714 B8R0.6 C=CCOCC(=O)OC 4af7941697fe7abf28d3bb985f3618ec [0,2,0,0,0,0|1,0,1]=4 715 B8R0.6 C=C[C@H](C)OCCSC 8f4acec3cd799969e87a449279b388d4 [0,2,0,0,0,0|1,0,1]=4 716 B8R0.6 CC#CCNC(=O)CC 6d9ddda364502c2ffe7bd0b913f40e69 [0,2,0,0,0,0|1,0,1]=4 717 B8R0.6 CC#CCNC(=O)CO 285f913d5587688230d414cb78c6b0e0 [0,2,0,0,0,0|1,0,1]=4 718 B8R0.6 CC=CCNC(=O)CC 0567aadeecba276bde20c091c56d95d3 [0,2,0,0,0,0|1,0,1]=4 719 B8R0.6 CC=CCNC(=O)CF 0d5f7fd26f945e36e8c6eecf363d8b30 [0,2,0,0,0,0|1,0,1]=4 720 B8R0.6 CC=CCNC(=O)CO 89f535fd64f7fddf0a20907685f7be1f [0,2,0,0,0,0|1,0,1]=4 721 B8R0.6 CC=CCNC(=O)CS a2418ca7c15d5fb8667c73be3fb859b5 [0,2,0,0,0,0|1,0,1]=4 722 B8R0.6 CCC(=O)CNCC#N cd2d4ac86eb31d1927746a139e109e79 [0,2,0,0,0,0|2,0,0]=4 723 B8R0.6 CCC(=O)CNCCBr 4ae86c97534187fa67e366dfd1eebd3b [0,2,0,0,0,0|2,0,0]=4 724 B8R0.6 CCC(=O)CNCCF 0bc469d08994cf5b5fbc36250b4ccf28 [0,2,0,0,0,0|2,0,0]=4 725 B8R0.6 CCC(=O)CNCCI 652e280753f4ad7ee550469669c66e91 [0,2,0,0,0,0|2,0,0]=4 726 B8R0.6 CCC(=O)CNCCO c42e5d5f257b37e8ba7acbbae4993f31 [0,2,0,0,0,0|2,0,0]=4 727 B8R0.6 CCC(=O)CNCCS 5d6e1d449d9df5ddcd81a9e54a1f9bcc [0,2,0,0,0,0|2,0,0]=4 728 B8R0.6 CCC(=O)COCC#N df5b26610d1a9f1f635c4ac5e628d5dd [0,2,0,0,0,0|2,0,0]=4 729 B8R0.6 CCC(=O)COCC=O 7cd085a6fb80112ec425ed1d474b4c25 [0,2,0,0,0,0|2,0,0]=4 730 B8R0.6 CCC(=O)COCCF 42452841604a6e08503574a608b88150 [0,2,0,0,0,0|2,0,0]=4 731 B8R0.6 CCC(=O)COCCS 361d7f9395122f7ce5b0a13a0b0a8b7e [0,2,0,0,0,0|2,0,0]=4 732 B8R0.6 CCC(=O)COCOC 2080604d4fba0b9d8e850f3f84775a84 [0,2,0,0,0,0|0,1,0]=3 733 B8R0.6 CCC(=O)COCSC 20ce94165e7ab9ceae1e7c23a6d6840a [0,2,0,0,0,0|0,0,0]=2 734 B8R0.6 CCC(=O)NCCC#N 48cc6a86c0c6f5553ba199e61ccae9bf [0,2,0,0,0,0|2,0,0]=4 735 B8R0.6 CCC(=O)NCCCCl 8c01153ec31ae9cc62389708147e768e [0,2,0,0,0,0|2,0,0]=4 736 B8R0.6 CCC(=O)NCCCO f98fa75986b7788f9e80577d0f4b70ab [0,2,0,0,0,0|2,0,0]=4 737 B8R0.6 CCC(=O)NCCOC 23e877e020a2c5b2736fc6a95b7c4f02 [0,2,0,0,0,0|0,1,0]=3 738 B8R0.6 CCC(=O)NCCON 5aa4ed8a34147e98db8513bba6021eb1 [0,2,0,0,0,0|1,1,0]=4 739 B8R0.6 CCC(=O)NCCSC c0f9bf4f85b22a82daaa8b7807daec1c [0,2,0,0,0,0|0,0,0]=2 740 B8R0.6 CCC(C)CNCSC 6f4b9794ed5c454ab126ae4d0e73a10c [0,2,0,0,0,0|1,0,1]=4 741 B8R0.6 CCC(C)COCSC c71a7ed276355c4fd851325151b38886 [0,2,0,0,0,0|1,0,1]=4 742 B8R0.6 CCC(C)NCCSC a7b869a85f7710a25c36dcb603db041a [0,2,0,0,0,0|1,0,1]=4 743 B8R0.6 CCC(C)OCCSC f2031df256af2f97a18e4ed202bceae8 [0,2,0,0,0,0|1,0,1]=4 744 B8R0.6 CCC(O)CNCSC 90eb85890f9346ff85a79d6fda8b686c [0,2,0,0,0,0|0,0,2]=4 745 B8R0.6 CCCCCN(C)C=O 7b286f721a9c6a91b513309dd89d81c0 [0,2,0,0,0,0|2,0,0]=4 746 B8R0.6 CCCCNC(=O)C=O f208026ec74ccdc3b90201942951f82d [0,2,0,0,0,0|1,0,1]=4 747 B8R0.6 CCCCNC(=O)CC 285e0c69f0d3b13983c95eed26c8d721 [0,2,0,0,0,0|1,0,0]=3 748 B8R0.6 CCCCNC(=O)CF ccc4967a8e0a27400c7d0139924f7409 [0,2,0,0,0,0|1,0,0]=3 749 B8R0.6 CCCCNC(=O)CO a7ebdf854bf2900347fbb690e8e35978 [0,2,0,0,0,0|1,0,0]=3 750 B8R0.6 CCCCNC(=O)CS c89622d02eae8eb9fb1a47fc8bb6fb10 [0,2,0,0,0,0|1,0,0]=3 751 B8R0.6 CCCCNC(C)C=O c990dbf02cb6f8344eb0c4b5b1c5bf1a [0,2,0,0,0,0|1,0,1]=4 752 B8R0.6 CCCCN[C@H](C)C=O a8c57992d16bbaafdc8ecce6752aa20e [0,2,0,0,0,0|1,0,1]=4 753 B8R0.6 CCCCOC(C)C=O 3da272a8eb2eb108a59ce2b6af2c590a [0,2,0,0,0,0|1,0,1]=4 754 B8R0.6 CCCCO[C@H](C)C=O e407b3f8d89671debf616b7fa7dc0ddb [0,2,0,0,0,0|1,0,1]=4 755 B8R0.6 CCCNCC(=O)CC 5f434fb49a11666bfc9ba500f0cbcfca [0,2,0,0,0,0|1,0,0]=3 756 B8R0.6 CCCNCC(=O)CO c0d2ea34a02dfba5aebbad6447271711 [0,2,0,0,0,0|1,0,0]=3 757 B8R0.6 CCCNCC(=O)NC eb0d012f1c9ad7dec4f4287f037196b3 [0,2,0,0,0,0|1,0,0]=3 758 B8R0.6 CCCNCC(=O)NO ef6f70702891ae45e4d4bb0573b2f089 [0,2,0,0,0,0|2,0,0]=4 759 B8R0.6 CCCNCC(=O)OC 3b0745436e6aac5047a752faa3629f9d [0,2,0,0,0,0|1,0,0]=3 760 B8R0.6 CCCOC/C(=C/I)/C dc8f9e85d6578ff08977a63eedf944cc [0,2,0,0,0,0|2,0,0]=4 761 B8R0.6 CCCOCC(=CI)C b3b55d96dd2a298243d83d73d18b42c8 [0,2,0,0,0,0|2,0,0]=4 762 B8R0.6 CCCOCC(=O)CC 3f397a74b90866b03f1163a524097d68 [0,2,0,0,0,0|1,0,0]=3 763 B8R0.6 CCCOCC(=O)NC 58f4813a2cc9a1be45793f06ebe468ea [0,2,0,0,0,0|1,0,0]=3 764 B8R0.6 CCCOCC(=O)OC c6e77fb768013ea608698b73991c1be0 [0,2,0,0,0,0|1,0,0]=3 765 B8R0.6 CCN(C)CCCSC 730187a2113fbfde3873dca10ec6b3c0 [0,2,0,0,0,0|2,0,0]=4 766 B8R0.6 CCNCCC(=O)NC 1e9b17ee02ba0e5b6aaaa347b3dcbe57 [0,2,0,0,0,0|1,0,0]=3 767 B8R0.6 CCNCCC(=O)NO 160d8ac572661099c06b72037ca2e0ea [0,2,0,0,0,0|2,0,0]=4 768 B8R0.6 CCNCCC(=O)OC bbd99f235af5ec44deb263c1fbced8c5 [0,2,0,0,0,0|1,0,0]=3 769 B8R0.6 CCOCCC(=O)NC 04f56cfd8d6885a7e2cb20782e900533 [0,2,0,0,0,0|0,1,0]=3 770 B8R0.6 CCOCCC(=O)OC 6c8ac8346f4b448f7b384f7ba30dc419 [0,2,0,0,0,0|0,1,0]=3 771 B8R0.6 CCOCCN(C)C=O 150e28d8c1b8a1d219f5e81a871d89a8 [0,2,0,0,0,0|1,1,0]=4 772 B8R0.6 CCSCCN(C)CC 077f8ad0cd3fd5bb632eef062cc525ef [0,2,0,0,0,0|2,0,0]=4 773 B8R0.6 CC[C@@H](C)COCSC 8b471433ffcca29c79070d25016db951 [0,2,0,0,0,0|1,0,1]=4 774 B8R0.6 CC[C@@H](C)NCCSC 3870552ed0d765a76f3d579fe3568814 [0,2,0,0,0,0|1,0,1]=4 775 B8R0.6 CC[C@@H](C)OCCSC ce99c06b76dfa3d0696884b1a7785ccb [0,2,0,0,0,0|1,0,1]=4 776 B8R0.6 CC[C@@H](O)CNCSC 602f6216f9b7c4d64254ea6d16f3608f [0,2,0,0,0,0|0,0,2]=4 777 B8R0.6 CC[C@H](C)CNCSC 09c62bc5d5574c3389dd8bafebc19969 [0,2,0,0,0,0|1,0,1]=4 778 B8R0.6 CC[C@H](C)COCSC 8b7f4fdb54794462883a4b1b9a971b1c [0,2,0,0,0,0|1,0,1]=4 779 B8R0.6 CC[C@H](C)NCCSC b6fc5b7faab69eb04934aa5da5f5a009 [0,2,0,0,0,0|1,0,1]=4 780 B8R0.6 CC[C@H](C)OCCSC 859d8c0e08c17053da54ea6974440015 [0,2,0,0,0,0|1,0,1]=4 781 B8R0.6 CN(C=O)CCCCO 7f619f7f07602d0a1e936e8e17f35450 [0,2,0,0,0,0|2,0,0]=4 782 B8R0.6 CN(C=O)CCOCF b61b4c84711e2254b5e31ade4625ff15 [0,2,0,0,0,0|1,1,0]=4 783 B8R0.6 CNC(=O)CCNC#N 9df6bde8ff5527a9a9b73672aa2859de [0,2,0,0,0,0|1,0,1]=4 784 B8R0.6 CNC(=O)CCNC=O 0287357d6b05e381fe3090944ec763f1 [0,2,0,0,0,0|1,0,1]=4 785 B8R0.6 CNC(=O)CCNCF 7d032297ec7b15962e82d70691941148 [0,2,0,0,0,0|1,0,0]=3 786 B8R0.6 CNC(=O)CCNCO f9748f0c4978ae72b7a558591315c7a3 [0,2,0,0,0,0|1,0,0]=3 787 B8R0.6 CNC(=O)CCOCF d44958e5865e9e15b8b4578e30ceba1f [0,2,0,0,0,0|0,1,0]=3 788 B8R0.6 CNC(=O)CNCC#N 995edbbfaf01ad1a0a32b6c67bcaab1a [0,2,0,0,0,0|2,0,0]=4 789 B8R0.6 CNC(=O)CNCC=O cfe6c3d1fbc6a8a471727a0cb22b0fb6 [0,2,0,0,0,0|2,0,0]=4 790 B8R0.6 CNC(=O)CNCCBr 6c7bbb2b8e2277851a9c4b1ee98b855e [0,2,0,0,0,0|2,0,0]=4 791 B8R0.6 CNC(=O)CNCCF ad7e29831d5186eb0f908b77a11c392c [0,2,0,0,0,0|2,0,0]=4 792 B8R0.6 CNC(=O)CNCCI e2ceae3c2127a1926854bc9548bd60de [0,2,0,0,0,0|2,0,0]=4 793 B8R0.6 CNC(=O)CNCCO 6524c53498939c1e86b45867695a7210 [0,2,0,0,0,0|2,0,0]=4 794 B8R0.6 CNC(=O)CNCCS 910fb23341c3da7d5e154bf7558a8aca [0,2,0,0,0,0|2,0,0]=4 795 B8R0.6 CNC(=O)CNCOC 8847ec992234bab2b496b10120a2af91 [0,2,0,0,0,0|0,1,0]=3 796 B8R0.6 CNC(=O)CNCSC 885b3d7715d4a99b7fd1330a008578d3 [0,2,0,0,0,0|0,0,0]=2 797 B8R0.6 CNC(=O)COCC#N b0d1e0c2d2fe987e58b15aa862461a14 [0,2,0,0,0,0|2,0,0]=4 798 B8R0.6 CNC(=O)COCC=O 8efd894a0631a7157c9af1a4a1868776 [0,2,0,0,0,0|2,0,0]=4 799 B8R0.6 CNC(=O)COCCF 12ab537cbcf65659b34d887d9c7fb928 [0,2,0,0,0,0|2,0,0]=4 800 B8R0.6 CNC(=O)COCCS 63270616340bb3c6f39f4a96b70e09a6 [0,2,0,0,0,0|2,0,0]=4 801 B8R0.6 CNC(=O)COCOC 3537c715a815bdbf6b14bfada111b9bd [0,2,0,0,0,0|0,1,0]=3 802 B8R0.6 CNC(=O)COCSC 241621ed8c34a22b0f5a33905a2ce887 [0,2,0,0,0,0|0,0,0]=2 803 B8R0.6 COC(=O)CCNC#N 7a530d6d679d08354249cd6e728a86d9 [0,2,0,0,0,0|1,0,1]=4 804 B8R0.6 COC(=O)CCNC=O 8ac47f4f93ba11ad1bac38fab4d03870 [0,2,0,0,0,0|1,0,1]=4 805 B8R0.6 COC(=O)CCNCF c9ea88c8e4da792c48ff261f6679c953 [0,2,0,0,0,0|1,0,0]=3 806 B8R0.6 COC(=O)CCNCO 9bc4822c35c94c877fc0ddc05b282774 [0,2,0,0,0,0|1,0,0]=3 807 B8R0.6 COC(=O)CCOCF 2f015a84e5a71939cec0c0c38276031f [0,2,0,0,0,0|0,1,0]=3 808 B8R0.6 COC(=O)CNCC#N e54efd0e7cdfa4eb3c060e8dafdb53cb [0,2,0,0,0,0|2,0,0]=4 809 B8R0.6 COC(=O)CNCC=O 1fc8d9a11636943df274e536a047e50f [0,2,0,0,0,0|2,0,0]=4 810 B8R0.6 COC(=O)CNCCBr e28aeca94e61f0de9c0ea2f9b9e87e88 [0,2,0,0,0,0|2,0,0]=4 811 B8R0.6 COC(=O)CNCCF d4a8c2b68347ac06f3cf07a0af263386 [0,2,0,0,0,0|2,0,0]=4 812 B8R0.6 COC(=O)CNCCI 45efb0e66cb53512c5450123a0571534 [0,2,0,0,0,0|2,0,0]=4 813 B8R0.6 COC(=O)CNCCO 9abf03e13c5594ade083b34dd22b9514 [0,2,0,0,0,0|2,0,0]=4 814 B8R0.6 COC(=O)CNCCS dafa382862b39c74b9bcdca9e45699c9 [0,2,0,0,0,0|2,0,0]=4 815 B8R0.6 COC(=O)CNCSC 8f9e6be1c8a25920663107a786d297b6 [0,2,0,0,0,0|0,0,0]=2 816 B8R0.6 COC(=O)COCC#N d961317c976447afdfd8be4bef3f1d28 [0,2,0,0,0,0|2,0,0]=4 817 B8R0.6 COC(=O)COCC=O 0afb003629944418146881e5868bab6a [0,2,0,0,0,0|2,0,0]=4 818 B8R0.6 COC(=O)COCCF 5fd538a27028a3025713a820ebe3ece9 [0,2,0,0,0,0|2,0,0]=4 819 B8R0.6 COC(=O)COCCS 8cf490d3a85a4d72de5bf7120c96cf93 [0,2,0,0,0,0|2,0,0]=4 820 B8R0.6 COC(=O)COCSC 0a7a5ae46e24085ed1063ee9467aa6ec [0,2,0,0,0,0|0,0,0]=2 821 B8R0.6 COC(C)COCSC c95dbaa03076c7f4675e922f7c6327fa [0,2,0,0,0,0|0,0,2]=4 822 B8R0.6 COCCCN(C)C=O 2dd2589e4563c98a7952d017ac8fb720 [0,2,0,0,0,0|1,1,0]=4 823 B8R0.6 COCCNC(=O)C=O 479a8f4f41f775ca2b6ce8e0cf56b6b2 [0,2,0,0,0,0|0,1,1]=4 824 B8R0.6 COCCNC(=O)CF a94db18f72aef2ec4c716239c23c2008 [0,2,0,0,0,0|0,1,0]=3 825 B8R0.6 COCCNC(=O)CO d671289b16ab36037d0c8d78118b8d68 [0,2,0,0,0,0|0,1,0]=3 826 B8R0.6 COCCNC(=O)CS 4b3174b27751971a4c745429c4f67196 [0,2,0,0,0,0|0,1,0]=3 827 B8R0.6 COCCNC(C)C=O b04cbb0a4cdf90a8659326a2cf39eb2e [0,2,0,0,0,0|0,1,1]=4 828 B8R0.6 COCCN[C@H](C)C=O 07f0113f3333cc700db2bdba012dc811 [0,2,0,0,0,0|0,1,1]=4 829 B8R0.6 COCCOC(C)C=O 2a67c0ff4cec0a7502a789fa42942c5d [0,2,0,0,0,0|0,1,1]=4 830 B8R0.6 COCCO[C@H](C)C=O 0298f0978f907e5e704651f508aa22b0 [0,2,0,0,0,0|0,1,1]=4 831 B8R0.6 COCNCC(=O)NO 6370b599efa65c671e4aeafd65f9dc2d [0,2,0,0,0,0|1,1,0]=4 832 B8R0.6 COCNCC(=O)OC 418d993c7f5c594cafa954c9550f79e1 [0,2,0,0,0,0|0,1,0]=3 833 B8R0.6 COCOC/C(=C/I)/C 9c3a0e5b5fdf8dde2a4fa241cbf61725 [0,2,0,0,0,0|1,1,0]=4 834 B8R0.6 COCOCC(=CI)C 74f86c9933b6b6c9ca0622257ad69da2 [0,2,0,0,0,0|1,1,0]=4 835 B8R0.6 COCOCC(=O)OC 2b399bb8cae6f66d03fa8086bd2ee628 [0,2,0,0,0,0|0,1,0]=3 836 B8R0.6 CO[C@@H](C)CNCSC 78931860676203d976e0374c798e7258 [0,2,0,0,0,0|0,0,2]=4 837 B8R0.6 CO[C@@H](C)COCSC 3d16e33683997381bb9d0caeea283c9d [0,2,0,0,0,0|0,0,2]=4 838 B8R0.6 CO[C@H](C)CNCSC c3d3388a32eb99bbae83c0a117ed495b [0,2,0,0,0,0|0,0,2]=4 839 B8R0.6 CO[C@H](C)COCSC bab8e0bbdfc17dc0e96f555e2d16602d [0,2,0,0,0,0|0,0,2]=4 840 B8R0.6 CSCCNC(=O)C=O 7c8e4143d4355f24a51fc16bfc32d9a1 [0,2,0,0,0,0|0,0,1]=3 841 B8R0.6 CSCCNC(=O)CF 57944584a9e694467df2be000c951ad6 [0,2,0,0,0,0|0,0,0]=2 842 B8R0.6 CSCCNC(=O)CO 65e8216c2feaa293039f65fdae32ef6d [0,2,0,0,0,0|0,0,0]=2 843 B8R0.6 CSCCNC(=O)CS 2af34aeed751cd9e812792b0dc7e1060 [0,2,0,0,0,0|0,0,0]=2 844 B8R0.6 CSCCNC(C)C#N 2ed55382ecc3c3447e2d791df391239f [0,2,0,0,0,0|1,0,1]=4 845 B8R0.6 CSCCNC(C)C=O 286c4e550db8cb5119661e7962d8357e [0,2,0,0,0,0|0,0,1]=3 846 B8R0.6 CSCCNC(C)CO eb710b0198f2b39e52336e903ad250ef [0,2,0,0,0,0|0,0,2]=4 847 B8R0.6 CSCCN[C@@H](C)CO cfc28bd1fda6abe13c274ff1bd20f592 [0,2,0,0,0,0|0,0,2]=4 848 B8R0.6 CSCCN[C@H](C)C=O 768bae1d4934c91a34c8e3922ada33b7 [0,2,0,0,0,0|0,0,1]=3 849 B8R0.6 CSCCN[C@H](C)CO c317f5fd9170c648d9158d4d47f133a4 [0,2,0,0,0,0|0,0,2]=4 850 B8R0.6 CSCCOC(C)C#N c5ba914c2c140691a18365318003996d [0,2,0,0,0,0|1,0,1]=4 851 B8R0.6 CSCCOC(C)C=O 8eef5310c6a16cef75ae44a0d99083e0 [0,2,0,0,0,0|0,0,1]=3 852 B8R0.6 CSCCOC(C)CF cfea21c2c3a8ac30e164d25c20f02c33 [0,2,0,0,0,0|1,0,1]=4 853 B8R0.6 CSCCOC(C)CS 8386082942f103927006a77e294cb463 [0,2,0,0,0,0|0,1,1]=4 854 B8R0.6 CSCCO[C@H](C)C=O 9648e4c84642a1c7a6b140c2bb515679 [0,2,0,0,0,0|0,0,1]=3 855 B8R0.6 CSCCO[C@H](C)CS c98ed2c9a664a9fb40a680980ae3c969 [0,2,0,0,0,0|0,1,1]=4 856 B8R0.6 CSCNCC(=O)NO 9162eae199ecb4fcb04238ef65fba3a9 [0,2,0,0,0,0|1,0,0]=3 857 B8R0.6 CSCNCC(Br)CBr 1439490bfbdc41c573128d2904ce5399 [0,2,0,0,0,0|1,0,1]=4 858 B8R0.6 CSCNCC(C)C#N 52622470c3be95a128136a3b7ffd45bd [0,2,0,0,0,0|1,0,1]=4 859 B8R0.6 CSCNCC(C)CO 30d6810084fc22efb1676f23075f8fd5 [0,2,0,0,0,0|0,0,2]=4 860 B8R0.6 CSCNCC(F)CO 7c8ae59ece6cccaad32a73bf245162dc [0,2,0,0,0,0|1,0,1]=4 861 B8R0.6 CSCNCC(O)CO cb05f125dcbccb30b28b53900d8a0755 [0,2,0,0,0,0|0,0,2]=4 862 B8R0.6 CSCNC[C@@H](F)CO 945cfabea34ce3fc06a0f0438d225517 [0,2,0,0,0,0|1,0,1]=4 863 B8R0.6 CSCNC[C@@H](O)CO d50aeb52d7e9e038cf848ed9329fb9af [0,2,0,0,0,0|0,0,2]=4 864 B8R0.6 CSCNC[C@H](C)CO 76e60afc5906be27708da6c5f83715d2 [0,2,0,0,0,0|0,0,2]=4 865 B8R0.6 CSCNC[C@H](F)CO a75eed4278b72ce58be4019b98472b0d [0,2,0,0,0,0|1,0,1]=4 866 B8R0.6 CSCNC[C@H](O)CO 543435a3cd29a0d217aec1eaeca7cd36 [0,2,0,0,0,0|0,0,2]=4 867 B8R0.6 CSCOC/C(=C/I)/C e9882d9dbe135b55905a235735c7634e [0,2,0,0,0,0|1,0,0]=3 868 B8R0.6 CSCOCC(=CI)C 582e2560e7d9aae0a93b39559f473897 [0,2,0,0,0,0|1,0,0]=3 869 B8R0.6 CSCOCC(Br)CBr a2fab75acbb791d2a16fcbb635320e10 [0,2,0,0,0,0|1,0,1]=4 870 B8R0.6 CSCOCC(C)C#N 67eeea3ed659de1ff5a3a35cc23d3f02 [0,2,0,0,0,0|1,0,1]=4 871 B8R0.6 CSCOCC(Cl)CCl 675e921c03947d0d7d6759cc9d92c669 [0,2,0,0,0,0|1,0,1]=4 872 B8R0.6 CSCOCC(S)CS 274fc9d3a3e01ec8bbe80140e4745922 [0,2,0,0,0,0|0,1,1]=4 873 B8R0.6 N#CCCNC(=O)CF 2643834fc249ed8abee54c3d144bbf1a [0,2,0,0,0,0|2,0,0]=4 874 B8R0.6 N#CCCNC(=O)CO 87c406c5bc0dc45a014108f83918aa54 [0,2,0,0,0,0|2,0,0]=4 875 B8R0.6 N#CCCNC(=O)CS 55e53c6938d3487fe14e760cf3e6c811 [0,2,0,0,0,0|2,0,0]=4 876 B8R0.6 N#CCNCC(=O)CO 5e8f28f2fb25f63df04e6bffce39c5fd [0,2,0,0,0,0|2,0,0]=4 877 B8R0.6 NOCCNC(=O)CF 46907fa58646111f9869cb76f3fa548d [0,2,0,0,0,0|1,1,0]=4 878 B8R0.6 NOCCNC(=O)CO d33eb512bcee6c5a14c6336e1dded456 [0,2,0,0,0,0|1,1,0]=4 879 B8R0.6 NOCCNC(=O)CS 0e95ecc1ba2742311363fa4125fb38fb [0,2,0,0,0,0|1,1,0]=4 880 B8R0.6 O=C(CCNCF)NO aaad06265f693e1393c4e11198291b97 [0,2,0,0,0,0|2,0,0]=4 881 B8R0.6 O=C(CCNCO)NO a2ec66bacb8f2a5bbd11eb6132728c80 [0,2,0,0,0,0|2,0,0]=4 882 B8R0.6 O=C(CF)NCCCCl 934b8e6ee889c80727ea8b7e3cae7f71 [0,2,0,0,0,0|2,0,0]=4 883 B8R0.6 O=C(CF)NCCCO f98476c767e724b095b3ceb9c47c191c [0,2,0,0,0,0|2,0,0]=4 884 B8R0.6 O=C(CO)CNCCBr 4b4dd4df91e92b925ca40ac918c073a9 [0,2,0,0,0,0|2,0,0]=4 885 B8R0.6 O=C(CO)CNCCF 9f05edaf4811ba7f9ac498eb6a37ffc4 [0,2,0,0,0,0|2,0,0]=4 886 B8R0.6 O=C(CO)CNCCI fad7dbe7caa4eb2201e5d92c6c999ddf [0,2,0,0,0,0|2,0,0]=4 887 B8R0.6 O=C(CO)CNCCO 8473c1767740ea9d135f46111299d63c [0,2,0,0,0,0|2,0,0]=4 888 B8R0.6 O=C(CO)CNCCS 0b181a826e47050c4e6ba69a8d17fa11 [0,2,0,0,0,0|2,0,0]=4 889 B8R0.6 O=C(CO)NCCCCl 0c789d035d9d5ee643962906d4106d8a [0,2,0,0,0,0|2,0,0]=4 890 B8R0.6 O=C(CO)NCCCO 8d20a4d16a68281342a6c9aa794f8168 [0,2,0,0,0,0|2,0,0]=4 891 B8R0.6 O=C(CS)NCCCCl 17654daec75e68e56a406f3209f982cd [0,2,0,0,0,0|2,0,0]=4 892 B8R0.6 O=C(CS)NCCCO 9609fec7c0df8b51e8b529e1db0af996 [0,2,0,0,0,0|2,0,0]=4 893 B8R0.8 C#CCCN(C)C(=O)C 3fdf2b9b619b3ddbb35b9c21b779044f [0,2,0,0,0,0|1,0,1]=4 894 B8R0.8 C#CCNC(C)C(=O)C 567e703e6a9161893158d07669a6a608 [0,2,0,0,0,0|1,0,1]=4 895 B8R0.8 C#CCOC(C)C(=O)C 92d9c5c0219a15f7e11b9f6ec066d343 [0,2,0,0,0,0|1,0,1]=4 896 B8R0.8 C=C(C)C(=O)NCCC 2afd5e95dd9734696b78b1287c8e40c3 [0,2,0,0,0,0|2,0,0]=4 897 B8R0.8 C=CCCN(C)C(=O)C 851a28f530c13f40a194c5bcebcd03fc [0,2,0,0,0,0|1,0,1]=4 898 B8R0.8 C=CCOC(C)C(=O)C 67a80f394e84cf94a6ded2477a1d988b [0,2,0,0,0,0|1,0,1]=4 899 B8R0.8 CC(=O)C(C)COCF c45f8ad47bb47acfc61ca43baa4a6417 [0,2,0,0,0,0|0,1,0]=3 900 B8R0.8 CC(=O)C(C)NCC#N 456b6713f365a1b6642d314cad0263c9 [0,2,0,0,0,0|2,0,0]=4 901 B8R0.8 CC(=O)C(C)NCCBr 3210bd9423ad5a5155327281550f5f25 [0,2,0,0,0,0|2,0,0]=4 902 B8R0.8 CC(=O)C(C)NCCF ddfa9965dd9a8b7bc370014a7270bc24 [0,2,0,0,0,0|2,0,0]=4 903 B8R0.8 CC(=O)C(C)NCCI a2fabb97dc000dda6bc097c4a9247332 [0,2,0,0,0,0|2,0,0]=4 904 B8R0.8 CC(=O)C(C)NCCO 2aeb3f0703a454ddc9d76e39bdb7fb76 [0,2,0,0,0,0|2,0,0]=4 905 B8R0.8 CC(=O)C(C)NCCS ec2fcb162cf9fe04c53dc8de339e343c [0,2,0,0,0,0|2,0,0]=4 906 B8R0.8 CC(=O)C(C)OCC#N 6ceb6afe72983951abf67fa79d909e5b [0,2,0,0,0,0|2,0,0]=4 907 B8R0.8 CC(=O)C(C)OCC=O b74e7c61b80a0c717901ca8c420abcfa [0,2,0,0,0,0|2,0,0]=4 908 B8R0.8 CC(=O)C(C)OCCF 2400feff3997df18334864838c96453f [0,2,0,0,0,0|2,0,0]=4 909 B8R0.8 CC(=O)C(C)OCCS 8423f1e18d91a46ab22e3647b29e1625 [0,2,0,0,0,0|2,0,0]=4 910 B8R0.8 CC(=O)N(C)CCC#N 151e9e71ecbd3af558b8b7d0c38784a7 [0,2,0,0,0,0|2,0,0]=4 911 B8R0.8 CC(=O)N(C)CCCO f1b608083519b3981f39547632d628d0 [0,2,0,0,0,0|2,0,0]=4 912 B8R0.8 CC(=O)N(C)CCON 0222a89a982d3c098f88961a474eac69 [0,2,0,0,0,0|1,1,0]=4 913 B8R0.8 CC(CNCF)C(=O)O 81c40ac360e7f6cce7aa3313199a6d5d [0,2,0,0,0,0|2,0,0]=4 914 B8R0.8 CC(CNCO)C(=O)O e22ad5b294faf2e87974a8321cb31821 [0,2,0,0,0,0|2,0,0]=4 915 B8R0.8 CC(COCF)C(=O)O 415e8d45727d24f32c3b9f930225f08d [0,2,0,0,0,0|1,1,0]=4 916 B8R0.8 CCCCN(C)C(=O)C 88d1b3a05bc92700007f7660d5b84e56 [0,2,0,0,0,0|1,0,0]=3 917 B8R0.8 CCCNC(=O)C(=O)C 6616f52ba2db0bc51edea61ef0a86e36 [0,2,0,0,0,0|1,0,1]=4 918 B8R0.8 CCCNC(=O)C(C)F 26c3e292e8bf81a2774c215b87fe205c [0,2,0,0,0,0|2,0,0]=4 919 B8R0.8 CCCNC(=O)C(C)O 1c4275cc840c120b08a43a51d620d9a2 [0,2,0,0,0,0|2,0,0]=4 920 B8R0.8 CCCNC(=O)C(C)S 14ef60dcd7bf53e38f1b48b3ac0916eb [0,2,0,0,0,0|2,0,0]=4 921 B8R0.8 CCCNC(=O)C(F)F 071dc3f73dcbda1779f15b4fb1ae3271 [0,2,0,0,0,0|2,0,0]=4 922 B8R0.8 CCCNC(=O)C(O)O 1935daac569a1d73c1bfec746173b734 [0,2,0,0,0,0|2,0,0]=4 923 B8R0.8 CCCNC(=O)[C@@H](C)F 56745f27d02daa9bdc007207f8e02ad7 [0,2,0,0,0,0|2,0,0]=4 924 B8R0.8 CCCNC(=O)[C@@H](C)O dd45fdcbcb7fa52143ea0a380ce96207 [0,2,0,0,0,0|2,0,0]=4 925 B8R0.8 CCCNC(=O)[C@H](C)F a5efcba7d8423bf0c2ba50ff959f1165 [0,2,0,0,0,0|2,0,0]=4 926 B8R0.8 CCCNC(=O)[C@H](C)O b394796d74a22374522cf1e72768ff60 [0,2,0,0,0,0|2,0,0]=4 927 B8R0.8 CCCNC(C)C(=O)C 6c20f55484fcd603f7867a7e61cb3d7e [0,2,0,0,0,0|1,0,0]=3 928 B8R0.8 CCCNC(C)C(=O)N b2fc625c38ab8c709841d5c7372d4adf [0,2,0,0,0,0|2,0,0]=4 929 B8R0.8 CCCNC(C)C(=O)O 0bb3e38e8c1f88931a7fe4405f55b48f [0,2,0,0,0,0|2,0,0]=4 930 B8R0.8 CCCNC(F)C(=O)N 887433dddf04b7504891cb2e153136a8 [0,2,0,0,0,0|2,0,0]=4 931 B8R0.8 CCCNC(O)C(=O)O cc97d4d167b9765bc7e9641f2f876d2e [0,2,0,0,0,0|2,0,0]=4 932 B8R0.8 CCCN[C@@H](C)C(=O)N 02dd18b86b56ba975cc40a36af64e278 [0,2,0,0,0,0|2,0,0]=4 933 B8R0.8 CCCN[C@@H](C)C(=O)O ef0370d06100564dc30ac92abf332f2f [0,2,0,0,0,0|2,0,0]=4 934 B8R0.8 CCCN[C@H](C)C(=O)N 99c67abc53ca408bd7a07e11216e0931 [0,2,0,0,0,0|2,0,0]=4 935 B8R0.8 CCCN[C@H](C)C(=O)O a8f2478751dbbc6b16132b4c2221ee6f [0,2,0,0,0,0|2,0,0]=4 936 B8R0.8 CCCOC(C)C(=O)C f2ac291285b506c3aa995ed18a49b95f [0,2,0,0,0,0|1,0,0]=3 937 B8R0.8 CCCOC(C)C(=O)N 960017c2975c35a65e9a919d09986bae [0,2,0,0,0,0|2,0,0]=4 938 B8R0.8 CCCOC(C)C(=O)O 1322f7b5e7c49e969524d97c6c86e731 [0,2,0,0,0,0|2,0,0]=4 939 B8R0.8 CCCOC(F)C(=O)N e307f7bcd27dd26468887c129da73e20 [0,2,0,0,0,0|2,0,0]=4 940 B8R0.8 CCCO[C@@H](C)C(=O)N b8c1d5a3f29f788c88f92112d4a6c2ab [0,2,0,0,0,0|2,0,0]=4 941 B8R0.8 CCCO[C@@H](C)C(=O)O 6d34f6dc5dea70a72e909784584aa3d0 [0,2,0,0,0,0|2,0,0]=4 942 B8R0.8 CCCO[C@H](C)C(=O)N ca342d08f32f80afdbcc627d7b3ff5e4 [0,2,0,0,0,0|2,0,0]=4 943 B8R0.8 CCCO[C@H](C)C(=O)O c80966cb853c5464154df7c1b20e2fad [0,2,0,0,0,0|2,0,0]=4 944 B8R0.8 CCNCC(=O)N(C)C cbb9e14980a25920980b7a9bd2e1ff0d [0,2,0,0,0,0|2,0,0]=4 945 B8R0.8 CCNCC(C)C(=O)O f1d53d3e850c3e5f7eacfd1722a00821 [0,2,0,0,0,0|2,0,0]=4 946 B8R0.8 CCNCC(F)C(=O)O 3b295cc4c966015ef89d181bb2cf0fd1 [0,2,0,0,0,0|2,0,0]=4 947 B8R0.8 CCNCC(O)C(=O)O 199a2ff9ee4d2808377aac2de3a1300d [0,2,0,0,0,0|2,0,0]=4 948 B8R0.8 CCNC[C@@H](C)C(=O)O c248e05b45d9e657c31f93c9072982c9 [0,2,0,0,0,0|2,0,0]=4 949 B8R0.8 CCNC[C@@H](O)C(=O)O 0b3a1c0d41c6b74588ef5eb637fd0fb0 [0,2,0,0,0,0|2,0,0]=4 950 B8R0.8 CCNC[C@H](C)C(=O)O 0c2e6d5b0da6964440e6e3ec89c9de07 [0,2,0,0,0,0|2,0,0]=4 951 B8R0.8 CCNC[C@H](O)C(=O)O 8f48edbc7af4278b5a62e9966729660b [0,2,0,0,0,0|2,0,0]=4 952 B8R0.8 CCOCC(=O)N(C)C d0c210c00ef540f269d37621e03eeac7 [0,2,0,0,0,0|2,0,0]=4 953 B8R0.8 CCOCC(C)C(=O)C 7ed02ca7a024702f528cad10b88a8859 [0,2,0,0,0,0|0,1,0]=3 954 B8R0.8 CCOCC(C)C(=O)O c058fb39790cebd08b409e3f0067a53c [0,2,0,0,0,0|1,1,0]=4 955 B8R0.8 CCOC[C@@H](C)C(=O)O caa5ba1722b2330e21dcd6c456bf8574 [0,2,0,0,0,0|1,1,0]=4 956 B8R0.8 CCOC[C@H](C)C(=O)O 3f7f39bbd0ce3dcf45d784eca89b738a [0,2,0,0,0,0|1,1,0]=4 957 B8R0.8 COCCN(C)C(=O)C 1c56ee19503977f51009b726340315a1 [0,2,0,0,0,0|0,1,0]=3 958 B8R0.8 COCNC(C)C(=O)N b4b2ce7b06452726f40d29c12e1e2d45 [0,2,0,0,0,0|1,1,0]=4 959 B8R0.8 COCNC(C)C(=O)O e8a36179375a090804a3295d43a4edc8 [0,2,0,0,0,0|1,1,0]=4 960 B8R0.8 COCNC(O)C(=O)O c63f3dcbd9e54c8057b6fa82b7adfdd8 [0,2,0,0,0,0|1,1,0]=4 961 B8R0.8 COCN[C@@H](C)C(=O)N 8b55f42ca22daaaacb13727c1eeadb78 [0,2,0,0,0,0|1,1,0]=4 962 B8R0.8 COCN[C@@H](C)C(=O)O 97f34448d198c44b13a9de86cde207b4 [0,2,0,0,0,0|1,1,0]=4 963 B8R0.8 COCN[C@H](C)C(=O)N eb2e7ecb7d7c9931c4aafa21b2d3cf84 [0,2,0,0,0,0|1,1,0]=4 964 B8R0.8 COCN[C@H](C)C(=O)O aa63150e151b1d92e3b97d3faa08a6a0 [0,2,0,0,0,0|1,1,0]=4 965 B8R0.8 COCOC(C)C(=O)C 9af88437e924837e1175779254d8725f [0,2,0,0,0,0|0,1,0]=3 966 B8R0.8 COCOC(C)C(=O)N 6aefe489f48a65cd7d148c440618ab78 [0,2,0,0,0,0|1,1,0]=4 967 B8R0.8 COCOC(F)C(=O)N 98a6ca63ec0ae5ce3f5f79ce7b3d2ebf [0,2,0,0,0,0|1,1,0]=4 968 B8R0.8 COCO[C@@H](C)C(=O)N 49acefa7331c8c6665c0cba142f65a5a [0,2,0,0,0,0|1,1,0]=4 969 B8R0.8 COCO[C@H](C)C(=O)N 3b246b4b4317637d3b566960fa55f353 [0,2,0,0,0,0|1,1,0]=4 970 B8R0.8 CSCCN(C)C(=O)C f3dc0247d8f8741adf15cb67ead23b7f [0,2,0,0,0,0|0,0,0]=2 971 B8R0.8 CSCCN(C)C(C)C 8ad12d4699cfc51ee74e0cbfb73cd06c [0,2,0,0,0,0|1,0,1]=4 972 B8R0.8 CSCNC(C)C(=O)N 09e6b1dc62b63e7473b01cdc2aa52418 [0,2,0,0,0,0|1,0,0]=3 973 B8R0.8 CSCNC(C)C(=O)O ea815da10516e5245f4fabfad2c1e236 [0,2,0,0,0,0|1,0,0]=3 974 B8R0.8 CSCNC(C)C(C)C 51acb59e1f0fbf5f5b25df1165f572ec [0,2,0,0,0,0|1,0,1]=4 975 B8R0.8 CSCNC(C)C(C)O ef3911d562ab7b6e3e64e8a81fc52be6 [0,2,0,0,0,0|0,0,2]=4 976 B8R0.8 CSCNC(O)C(=O)O 1719d5d27357fbe544a3b6bde16529a0 [0,2,0,0,0,0|1,0,0]=3 977 B8R0.8 CSCN[C@@H](C)C(=O)N b433645c30d8ea8eea7e0c7ef027def3 [0,2,0,0,0,0|1,0,0]=3 978 B8R0.8 CSCN[C@@H](C)C(=O)O 7e48161f385aeb967c83dfdd3dbc82ac [0,2,0,0,0,0|1,0,0]=3 979 B8R0.8 CSCN[C@@H](C)C(C)C 4ab9b679ebc9a80bf01bcaae89dc4661 [0,2,0,0,0,0|1,0,1]=4 980 B8R0.8 CSCN[C@H](C)C(=O)N c7892432661f557a4875bbc0c66dca2f [0,2,0,0,0,0|1,0,0]=3 981 B8R0.8 CSCN[C@H](C)C(=O)O b9423e8ae3b110bd616b166a6c8e3236 [0,2,0,0,0,0|1,0,0]=3 982 B8R0.8 CSCN[C@H](C)C(C)C 2d29b2303be9f4b27e85050f3501c685 [0,2,0,0,0,0|1,0,1]=4 983 B8R0.8 CSCOC(C)C(=O)C c95aac72a50d87c47012f14e7a8068b2 [0,2,0,0,0,0|0,0,0]=2 984 B8R0.8 CSCOC(C)C(=O)N 635f1a0e17addb469496239feb26d434 [0,2,0,0,0,0|1,0,0]=3 985 B8R0.8 CSCOC(C)C(=O)O 57d7ce1dd854a328c5975793704ea7b1 [0,2,0,0,0,0|1,0,0]=3 986 B8R0.8 CSCOC(C)C(C)C d3d5c1c5fc376ef75120aa6a80e9e5e0 [0,2,0,0,0,0|1,0,1]=4 987 B8R0.8 CSCOC(C)C(C)S 1b3c066b1800ad8e63563bca2a55b140 [0,2,0,0,0,0|0,1,1]=4 988 B8R0.8 CSCO[C@@H](C)C(=O)N d697806df06282cb5644132872e9ee59 [0,2,0,0,0,0|1,0,0]=3 989 B8R0.8 CSCO[C@@H](C)C(=O)O 864b5a29ecb73704069778c9f0e179d1 [0,2,0,0,0,0|1,0,0]=3 990 B8R0.8 CSCO[C@@H](C)C(C)C 1f6c87538b58f348bd73f4584a70b0aa [0,2,0,0,0,0|1,0,1]=4 991 B8R0.8 CSCO[C@H](C)C(=O)N 52e95303bdf45ec980659949a87a26d8 [0,2,0,0,0,0|1,0,0]=3 992 B8R0.8 CSCO[C@H](C)C(=O)O f7ab39fe068e7fa68aead9a01d1128af [0,2,0,0,0,0|1,0,0]=3 993 B8R0.8 CSCO[C@H](C)C(C)C e348fa0294055e95f739da0de03754bd [0,2,0,0,0,0|1,0,1]=4 994 B8R0.8 C[C@@H](CNCF)C(=O)O 4d9173719fc4f49e4611760c33799bb2 [0,2,0,0,0,0|2,0,0]=4 995 B8R0.8 C[C@@H](CNCO)C(=O)O 129419d76dc5f85eaf247a7f67fc6cef [0,2,0,0,0,0|2,0,0]=4 996 B8R0.8 C[C@@H](COCF)C(=O)O aa505f32f4e5eedb1609c9fa6ceb286b [0,2,0,0,0,0|1,1,0]=4 997 B8R0.8 C[C@H](CNCF)C(=O)O 9d81b94206f75ee21b4db163708e8702 [0,2,0,0,0,0|2,0,0]=4 998 B8R0.8 C[C@H](CNCO)C(=O)O 722d39fe0a80aec373909ca981cc2ac2 [0,2,0,0,0,0|2,0,0]=4 999 B8R0.8 C[C@H](COCF)C(=O)O 45766ea01c28bb0aca00c5be08dc9be3 [0,2,0,0,0,0|1,1,0]=4 1000 B8R0.8 O=C(O)C(F)CNCF f1a9030b4e84b2808ed1cc96323a1748 [0,2,0,0,0,0|2,0,0]=4 1001 B8R0.8 O=C(O)C(F)CNCO c5cb63252e280c78105d540035d06dac [0,2,0,0,0,0|2,0,0]=4 1002 B8R0.8 O=C(O)C(O)CNCF b50e1442b5c6266934863854576a8d3d [0,2,0,0,0,0|2,0,0]=4 1003 B8R0.8 O=C(O)C(O)CNCO 898dc7e3ebc74408e9fbb99b51d98f75 [0,2,0,0,0,0|2,0,0]=4 1004 B8R0.8 O=C(O)[C@@H](O)CNCF dfc3ee5c735555d7aca49144f695826d [0,2,0,0,0,0|2,0,0]=4 1005 B8R0.8 O=C(O)[C@@H](O)CNCO cdd1082cc3946b226b2ffbc1066fef89 [0,2,0,0,0,0|2,0,0]=4 1006 B8R0.8 O=C(O)[C@H](O)CNCF 5dbad60ab052faf0f2f5f615bfe59344 [0,2,0,0,0,0|2,0,0]=4 1007 B8R0.8 O=C(O)[C@H](O)CNCO 71211b0d7c7b20837b97e49988848369 [0,2,0,0,0,0|2,0,0]=4 1008 B8R0.9 C#CC(C)NCC(=O)C 2ad4abc709ed22d0c1fc1e2c701880d0 [0,2,0,0,0,0|1,0,1]=4 1009 B8R0.9 C#CC(C)OCC(=O)C 882d251e5156962e635e367fb9e2389a [0,2,0,0,0,0|1,0,1]=4 1010 B8R0.9 C=C(C)CCN(C)CC 975bc598c990d4455049b666e0eec143 [0,2,0,0,0,0|2,0,0]=4 1011 B8R0.9 C=C(C)CNC(=O)CC 32c4b91879f81cdaadb4286b48c67a5d [0,2,0,0,0,0|2,0,0]=4 1012 B8R0.9 C=C(C)CNC(=O)CF 9e174f36563c098f37022cb2648c32e5 [0,2,0,0,0,0|2,0,0]=4 1013 B8R0.9 C=C(C)CNC(=O)CO ea98526bca8d7363ad41fae75f4ac9a5 [0,2,0,0,0,0|2,0,0]=4 1014 B8R0.9 C=C(C)CNC(=O)CS 497b396057e3c61f5cc6dfafc46145da [0,2,0,0,0,0|2,0,0]=4 1015 B8R0.9 C=C(C)CNC(C)CC 256f62cec490bafed043741999c25df4 [0,2,0,0,0,0|2,0,0]=4 1016 B8R0.9 C=C(C)CN[C@@H](C)CC d26c3d64a9f189169a5866d4e2b497b9 [0,2,0,0,0,0|2,0,0]=4 1017 B8R0.9 C=C(C)CN[C@H](C)CC 63a0b508416fa3ab231e5f743622aa6e [0,2,0,0,0,0|2,0,0]=4 1018 B8R0.9 C=C(C)COC(C)CC 4482bd721211f848f89897698cdef93d [0,2,0,0,0,0|2,0,0]=4 1019 B8R0.9 C=C(C)CO[C@@H](C)CC 1f8fa1d6bc957d679b02c8c39dd68048 [0,2,0,0,0,0|2,0,0]=4 1020 B8R0.9 C=C(C)CO[C@H](C)CC 4903f87f8690f044163b36d5c736143f [0,2,0,0,0,0|2,0,0]=4 1021 B8R0.9 C=CC(C)NCC(=O)C b2014bf11d5705e4d318fa019758c231 [0,2,0,0,0,0|1,0,1]=4 1022 B8R0.9 C=CC(C)OCC(=O)C 9ad41a13855017a691d90b159b9e2ebc [0,2,0,0,0,0|1,0,1]=4 1023 B8R0.9 C=CC(O)CNC(=O)C 81607a1da75c9494462df99b512c5607 [0,2,0,0,0,0|1,0,1]=4 1024 B8R0.9 CC(=O)CNC(=O)CF 51fe56aa9d240d573ecbdb68032eba65 [0,2,0,0,0,0|2,0,0]=4 1025 B8R0.9 CC(=O)CNC(=O)CO d375a24b35361625580ca34c6266f702 [0,2,0,0,0,0|2,0,0]=4 1026 B8R0.9 CC(=O)CNC(=O)CS 5d679f8f3bae9d6c5d53fb6156c809ab [0,2,0,0,0,0|2,0,0]=4 1027 B8R0.9 CC(=O)CNC(C)C=O 5305abebdd5439cbe27a612adc8c23ab [0,2,0,0,0,0|2,0,0]=4 1028 B8R0.9 CC(=O)CNC(C)CO 7f456ce2665c50a288606a55fcadb654 [0,2,0,0,0,0|2,0,0]=4 1029 B8R0.9 CC(=O)CN[C@@H](C)CO 3490504cc82c16f891707783a3f5d03b [0,2,0,0,0,0|2,0,0]=4 1030 B8R0.9 CC(=O)CN[C@H](C)C=O aeb82f57e8a877f800a721396ffa0f59 [0,2,0,0,0,0|2,0,0]=4 1031 B8R0.9 CC(=O)CN[C@H](C)CO b856683376ccfcef5ca680b8cb827c55 [0,2,0,0,0,0|2,0,0]=4 1032 B8R0.9 CC(=O)COC(C)C=O b91d02ad7a67994d76fa088d267acff2 [0,2,0,0,0,0|2,0,0]=4 1033 B8R0.9 CC(=O)CO[C@H](C)C=O 6df7154fde8ca8fb45e199e7b6ad0f88 [0,2,0,0,0,0|2,0,0]=4 1034 B8R0.9 CC(=O)NCC(Br)CBr 026233203db163de359d5c31f32507c5 [0,2,0,0,0,0|2,0,0]=4 1035 B8R0.9 CC(=O)NCC(C)C#N 70b6e41d7a36e25b863c12e3e2ab9f7c [0,2,0,0,0,0|2,0,0]=4 1036 B8R0.9 CC(=O)NCC(C)CO 5107eece73873b4763584dc1449ad61c [0,2,0,0,0,0|2,0,0]=4 1037 B8R0.9 CC(=O)NCC(F)CO b8843bcee854bfdd401231e90b011422 [0,2,0,0,0,0|2,0,0]=4 1038 B8R0.9 CC(=O)NCC(O)CO a7a306466b1599337a98d4a78b5d781e [0,2,0,0,0,0|2,0,0]=4 1039 B8R0.9 CC(=O)NC[C@@H](F)CO 964c0a882da1253a8b823c85e90b43d9 [0,2,0,0,0,0|2,0,0]=4 1040 B8R0.9 CC(=O)NC[C@@H](O)CO a8483dbc09c1c7f138b3ed243987530b [0,2,0,0,0,0|2,0,0]=4 1041 B8R0.9 CC(=O)NC[C@H](C)CO 5409bde0c2b60b9f7b568586e701b259 [0,2,0,0,0,0|2,0,0]=4 1042 B8R0.9 CC(=O)NC[C@H](F)CO 938a8d1e230afccbf699e7334f08d345 [0,2,0,0,0,0|2,0,0]=4 1043 B8R0.9 CC(=O)NC[C@H](O)CO 4c725599a6cf504375db5135be307edf [0,2,0,0,0,0|2,0,0]=4 1044 B8R0.9 CC(C)CCN(C)C=O 516a2a022cb88171d447755eeb173861 [0,2,0,0,0,0|2,0,0]=4 1045 B8R0.9 CC(C)CNC(=O)CF 9eb01591588fc3f21824d07c6994c4ce [0,2,0,0,0,0|2,0,0]=4 1046 B8R0.9 CC(C)CNC(=O)CO 748dd4a1556e9d036080c13c38338fdb [0,2,0,0,0,0|2,0,0]=4 1047 B8R0.9 CC(C)CNC(=O)CS 24a37322ef0bc9a4c645dfd16fd4ed0f [0,2,0,0,0,0|2,0,0]=4 1048 B8R0.9 CC(O)CCN(C)C=O 32af2d18851b8de7c2fbf9dc298410b8 [0,2,0,0,0,0|2,0,0]=4 1049 B8R0.9 CC(O)CNC(=O)CF d59c5e79c77aa7d822e3ecb11dcaef82 [0,2,0,0,0,0|2,0,0]=4 1050 B8R0.9 CC(O)CNC(=O)CO 9be864f31d0f9194e8eb36240c465097 [0,2,0,0,0,0|2,0,0]=4 1051 B8R0.9 CC(O)CNC(=O)CS dbff926c910e39aef95fc4a90e7f24a8 [0,2,0,0,0,0|2,0,0]=4 1052 B8R0.9 CCC(=O)COC(C)C 5c8d297b0416149f24332452b8f0f1e3 [0,2,0,0,0,0|2,0,0]=4 1053 B8R0.9 CCC(=O)NCC(=O)C 5911502c3a8395822fc4c0959647e135 [0,2,0,0,0,0|1,0,1]=4 1054 B8R0.9 CCC(=O)NCC(C)C 80d4e4c057e6f7b9eae8a2bfacaea014 [0,2,0,0,0,0|2,0,0]=4 1055 B8R0.9 CCC(=O)NCC(C)O a0cefa62fd20423cdc1bf66278a42129 [0,2,0,0,0,0|2,0,0]=4 1056 B8R0.9 CCC(=O)NC[C@@H](C)O a391cc3778995f10350211a29d249a09 [0,2,0,0,0,0|2,0,0]=4 1057 B8R0.9 CCC(=O)NC[C@H](C)O 700448fc71267e87914b635955ddeec8 [0,2,0,0,0,0|2,0,0]=4 1058 B8R0.9 CCC(C)CNC(=O)C aa3f1455f544ac3656d43724f45ee4b6 [0,2,0,0,0,0|1,0,0]=3 1059 B8R0.9 CCC(C)NCC(=O)C 6436401da3e43365ad6648f7d16996be [0,2,0,0,0,0|1,0,0]=3 1060 B8R0.9 CCC(C)NCC(=O)N 000867cd72bf7abf807440f1d3bec59b [0,2,0,0,0,0|2,0,0]=4 1061 B8R0.9 CCC(C)NCC(=O)O f2952a77ab3e8bd898813643bd6d2028 [0,2,0,0,0,0|2,0,0]=4 1062 B8R0.9 CCC(C)OCC(=O)C 51585707b16cf92a5a0e33fe644c9725 [0,2,0,0,0,0|1,0,0]=3 1063 B8R0.9 CCC(C)OCC(=O)N 1b913184d403fb69b64ed9e9c743a425 [0,2,0,0,0,0|2,0,0]=4 1064 B8R0.9 CCC(C)OCC(=O)O ba461bfe27072cdbfb8d74924722a4e4 [0,2,0,0,0,0|2,0,0]=4 1065 B8R0.9 CCC(O)CNC(=O)C 303ca77168267846269f8e2248e6c650 [0,2,0,0,0,0|1,0,0]=3 1066 B8R0.9 CCN(C)CCC(=O)C 704b8017c1fe42d466a2c16771fe60b9 [0,2,0,0,0,0|1,0,0]=3 1067 B8R0.9 CCN(C)CCC(=O)N 8598f908b554962aaf272d88582a793e [0,2,0,0,0,0|2,0,0]=4 1068 B8R0.9 CCN(C)CCC(=O)O 2d55640deefd272dbf27378182c87c56 [0,2,0,0,0,0|2,0,0]=4 1069 B8R0.9 CCN(C)CCS(=O)C 181957332795259e7c2d453ef9f3db35 [0,2,0,0,0,0|2,0,0]=4 1070 B8R0.9 CCN(C)COC(=O)C 662418b9fd851b02bfa0c21ae20e504d [0,2,0,0,0,0|2,0,0]=4 1071 B8R0.9 CC[C@@H](C)NCC(=O)N 00c2922a9a0e085fef41a6936ba22077 [0,2,0,0,0,0|2,0,0]=4 1072 B8R0.9 CC[C@@H](C)NCC(=O)O 5c12fd5b6d0cdca7f2b2238c17851dd2 [0,2,0,0,0,0|2,0,0]=4 1073 B8R0.9 CC[C@@H](C)OCC(=O)N 177a1fefad08e7123933fff20860c103 [0,2,0,0,0,0|2,0,0]=4 1074 B8R0.9 CC[C@@H](C)OCC(=O)O fcbe44d01b8fa575a40781f8929bf942 [0,2,0,0,0,0|2,0,0]=4 1075 B8R0.9 CC[C@@H](O)CNC(=O)C 214f1ff21aca62cdd2be0dae45336745 [0,2,0,0,0,0|1,0,0]=3 1076 B8R0.9 CC[C@H](C)CNC(=O)C 7308e3222c110d542936eb43984d990d [0,2,0,0,0,0|1,0,0]=3 1077 B8R0.9 CC[C@H](C)NCC(=O)N f4cbd027635400a1bd56158094969969 [0,2,0,0,0,0|2,0,0]=4 1078 B8R0.9 CC[C@H](C)NCC(=O)O d0392c98c4a58fa7920a948e7c8055d4 [0,2,0,0,0,0|2,0,0]=4 1079 B8R0.9 CC[C@H](C)OCC(=O)N a50cd0f8b1faba93c04bb41f0f47043f [0,2,0,0,0,0|2,0,0]=4 1080 B8R0.9 CC[C@H](C)OCC(=O)O 8b17e83f890f84f235b698dd6e78f10d [0,2,0,0,0,0|2,0,0]=4 1081 B8R0.9 CN(C)CCN(C)C=O b34edb31e570d3653e5ff795502442ff [0,2,0,0,0,0|2,0,0]=4 1082 B8R0.9 CN(C=O)CCC(=O)N 90047bedb23fa37b5b4136a7076e845e [0,2,0,0,0,0|2,0,0]=4 1083 B8R0.9 CN(CF)CCC(=O)N 6d094d2271b3869e64c635a327791e7d [0,2,0,0,0,0|2,0,0]=4 1084 B8R0.9 CN(CF)CCC(=O)O 2d013e31aee2f0b22eda4a0cee146222 [0,2,0,0,0,0|2,0,0]=4 1085 B8R0.9 CN(CO)CCC(=O)N e23409c848954f75cfbaa958caecdeb6 [0,2,0,0,0,0|2,0,0]=4 1086 B8R0.9 CN(CO)CCC(=O)O a563a8e06bffade26f5d2de4c2323adb [0,2,0,0,0,0|2,0,0]=4 1087 B8R0.9 CNC(=O)CNC(=O)C c907d9576897cc728ca9c254cf3b05e9 [0,2,0,0,0,0|1,0,1]=4 1088 B8R0.9 CNC(=O)CNC(C)C 566e2c52ea2eed119c48dda13ee7cd22 [0,2,0,0,0,0|2,0,0]=4 1089 B8R0.9 CNC(=O)COC(C)C ac98fb8d262335081328b24dd3b587d1 [0,2,0,0,0,0|2,0,0]=4 1090 B8R0.9 COC(=O)CNC(=O)C b0f97d8003dd4b6278e13b9959e4a2e1 [0,2,0,0,0,0|0,1,1]=4 1091 B8R0.9 COC(=O)CNC(C)C c3733748a55be9c482138184ed5baa45 [0,2,0,0,0,0|2,0,0]=4 1092 B8R0.9 COC(=O)COC(C)C 532fce5a880346bf56d52549b85157a8 [0,2,0,0,0,0|2,0,0]=4 1093 B8R0.9 CO[C@@H](C)CNC(=O)C 0cf2684fa855f95ea59e4d00d3adab12 [0,2,0,0,0,0|0,1,0]=3 1094 B8R0.9 CO[C@H](C)CNC(=O)C 8d64b64f82d28ad11a8f0edbe07358fd [0,2,0,0,0,0|0,1,0]=3 1095 B8R0.9 C[C@@H](O)CNC(=O)CF 6a61f49e9c0d24ab6d4f46deb1461e7d [0,2,0,0,0,0|2,0,0]=4 1096 B8R0.9 C[C@@H](O)CNC(=O)CO 9634e7d0b81aeff4d0ebcb0b1d05ff89 [0,2,0,0,0,0|2,0,0]=4 1097 B8R0.9 C[C@@H](O)CNC(=O)CS 74f2114c184fa00cea5ec42867e295a6 [0,2,0,0,0,0|2,0,0]=4 1098 B8R0.9 C[C@H](O)CNC(=O)CF de054442a5e1e940c151636e21f7cde2 [0,2,0,0,0,0|2,0,0]=4 1099 B8R0.9 C[C@H](O)CNC(=O)CO a9cb6b1498a706bccaa6d180a5a461c7 [0,2,0,0,0,0|2,0,0]=4 1100 B8R0.9 C[C@H](O)CNC(=O)CS a2cc47a92507f6d2ddfbe5205109d70d [0,2,0,0,0,0|2,0,0]=4 1101 B8R0.11 CCCCN(C=O)CC cdc74e35a30bfd5fd030759b798d1154 [0,2,0,0,0,0|2,0,0]=4 1102 B8R0.11 CCN(C=O)CCOC 57d3ddcf433d03a3e450ecf7301ce02d [0,2,0,0,0,0|1,1,0]=4 1103 B8R0.7 C#CCCCNC(=O)C 8bbad3dcf674b05cb5f90221808a2bb7 [0,2,0,0,0,0|1,0,1]=4 1104 B8R0.7 C#CCCNCC(=O)C c4cc756a51afb7be13a15a9a08fcff4c [0,2,0,0,0,0|1,0,1]=4 1105 B8R0.7 C#CCCOCC(=O)C d40f062f5d5b5dd437467b58ad4478ba [0,2,0,0,0,0|1,0,1]=4 1106 B8R0.7 C#CCNCCC(=C)C 3424313b329ea4363bb52c4038c2e92a [0,2,0,0,0,0|2,0,0]=4 1107 B8R0.7 C#CCNCCC(=O)C c404d0087dc2dc93430e30073cbb1872 [0,2,0,0,0,0|1,0,0]=3 1108 B8R0.7 C#CCNCCC(=O)N 93be733b56fc479909304b7711180789 [0,2,0,0,0,0|2,0,0]=4 1109 B8R0.7 C#CCNCCC(=O)O 6efd5e85084acab9c542105691239e32 [0,2,0,0,0,0|2,0,0]=4 1110 B8R0.7 C#CCNCCS(=O)C ae74766f8ec65ee22670e3edeaaabe60 [0,2,0,0,0,0|2,0,0]=4 1111 B8R0.7 C#CCNCOC(=O)C f4375fd638a73768387f4a3fbdd1fa2e [0,2,0,0,0,0|1,0,1]=4 1112 B8R0.7 C#CCOCCC(=C)C 8465c8347aac61c16c2dca184b082e68 [0,2,0,0,0,0|1,1,0]=4 1113 B8R0.7 C#CCOCCC(=O)C 5d051bea38d55a1d1b77591e946629a4 [0,2,0,0,0,0|0,1,0]=3 1114 B8R0.7 C#CCOCCC(=O)N 238988e372393a30996f8238ceea5a3a [0,2,0,0,0,0|1,1,0]=4 1115 B8R0.7 C#CCOCCC(=O)O 4db8817d78a49abe243c505f5b6fbd25 [0,2,0,0,0,0|1,1,0]=4 1116 B8R0.7 C#CCOCCS(=O)C e6c9b44272986f7de407f310569719ec [0,2,0,0,0,0|1,1,0]=4 1117 B8R0.7 C#CCOCNC(=O)C b44629db1154368e6727a127312fe23a [0,2,0,0,0,0|1,0,1]=4 1118 B8R0.7 C#CCOCOC(=O)C 2a36f4a27a30efed067ae3b0b945a8fd [0,2,0,0,0,0|1,0,1]=4 1119 B8R0.7 C/C=C/CNCC(=O)C d08365ea544d9b1f5f738627bd1655a4 [0,2,0,0,0,0|1,0,0]=3 1120 B8R0.7 C/C=C/CNCC(=O)N 35bccb5c6f26f8bea4b235e26562bb8f [0,2,0,0,0,0|2,0,0]=4 1121 B8R0.7 C/C=C/CNCC(=O)O c42f2b1a73316da9e67d3841e3bba390 [0,2,0,0,0,0|2,0,0]=4 1122 B8R0.7 C/C=C/COCC(=O)C 8704cfa8ea1b508d264e8fc5e5c29d85 [0,2,0,0,0,0|1,0,0]=3 1123 B8R0.7 C/C=C/COCC(=O)N 5a789f9788fb0b39c2772356abc11d01 [0,2,0,0,0,0|2,0,0]=4 1124 B8R0.7 C/C=C/COCC(=O)O 226b10d27bfff6e38810e52e502a3510 [0,2,0,0,0,0|2,0,0]=4 1125 B8R0.7 C/C=C\CNCC(=O)C 6a6c9d418c0891c2fa3bf4c597c04764 [0,2,0,0,0,0|1,0,0]=3 1126 B8R0.7 C/C=C\CNCC(=O)N 986aed96850afbf455a00521096423c9 [0,2,0,0,0,0|2,0,0]=4 1127 B8R0.7 C/C=C\CNCC(=O)O f297a0a2509c5e78c48c40fb1dbd770d [0,2,0,0,0,0|2,0,0]=4 1128 B8R0.7 C/C=C\COCC(=O)C 2779d7a42d72df0b04bf874f0b76bd29 [0,2,0,0,0,0|1,0,0]=3 1129 B8R0.7 C/C=C\COCC(=O)N 946717a3036575b064e54b5e93162f10 [0,2,0,0,0,0|2,0,0]=4 1130 B8R0.7 C/C=C\COCC(=O)O e58cd13c0ed7a7febac3a76fdbabc6bc [0,2,0,0,0,0|2,0,0]=4 1131 B8R0.7 C=C(Br)CCOCSC dc07dbda02c200711970a954014d26e1 [0,2,0,0,0,0|1,0,1]=4 1132 B8R0.7 C=C(Br)CNCCSC 5b1a1ae0f5347cb228c1a769729a44d5 [0,2,0,0,0,0|1,0,1]=4 1133 B8R0.7 C=C(Br)COCCSC 8115612421b5124e936093469c623be0 [0,2,0,0,0,0|1,0,1]=4 1134 B8R0.7 C=C(C)CCCOCC 36ef5adff872f4dda81f11eae3241c37 [0,2,0,0,0,0|1,1,0]=4 1135 B8R0.7 C=C(C)CCCOCF 76264cef51d14a00e40692a03297067c [0,2,0,0,0,0|1,1,0]=4 1136 B8R0.7 C=C(C)CCNCC#N 81a85c106c4d6e994f3ce968f5d4204c [0,2,0,0,0,0|2,0,0]=4 1137 B8R0.7 C=C(C)CCNCC=O 4c3ba9587f8532929abf485727b781bd [0,2,0,0,0,0|2,0,0]=4 1138 B8R0.7 C=C(C)CCNCCBr 7ced6d8c6e32bc1f876500890047cded [0,2,0,0,0,0|2,0,0]=4 1139 B8R0.7 C=C(C)CCNCCC 4d1900f680cbfef6ffe5a77e2294dd65 [0,2,0,0,0,0|2,0,0]=4 1140 B8R0.7 C=C(C)CCNCCF 8569016bcb7348aaa45008d66f5f6a2c [0,2,0,0,0,0|2,0,0]=4 1141 B8R0.7 C=C(C)CCNCCI d20ef749df3249ef9aaad80f778516f3 [0,2,0,0,0,0|2,0,0]=4 1142 B8R0.7 C=C(C)CCNCCO 21920b0882725c69be4c5ff08469b5db [0,2,0,0,0,0|2,0,0]=4 1143 B8R0.7 C=C(C)CCNCCS 2f2e2170dcd696655a54f1153dbc50c6 [0,2,0,0,0,0|2,0,0]=4 1144 B8R0.7 C=C(C)CCNCOC 7be90491ee700292d0e2b62ea3c5d946 [0,2,0,0,0,0|1,1,0]=4 1145 B8R0.7 C=C(C)CCNCSC 0537b76f67ce88918e3939b8c0661738 [0,2,0,0,0,0|1,0,0]=3 1146 B8R0.7 C=C(C)CCOCC#N d9760b9359a70896008865ac96cce842 [0,2,0,0,0,0|1,1,0]=4 1147 B8R0.7 C=C(C)CCOCC=O da9ea0e0498e99e55f19b3c9d4d5bcb1 [0,2,0,0,0,0|1,1,0]=4 1148 B8R0.7 C=C(C)CCOCCC 845281f0f16ba18f3aad20093af18d36 [0,2,0,0,0,0|1,1,0]=4 1149 B8R0.7 C=C(C)CCOCCF cad086a36984e044fb55164106973801 [0,2,0,0,0,0|1,1,0]=4 1150 B8R0.7 C=C(C)CCOCCS c14b0067a06142591fd279d6fe25eb06 [0,2,0,0,0,0|1,1,0]=4 1151 B8R0.7 C=C(C)CCOCOC 2d580783ee3d7b7a5ba6e90b0c9cd47a [0,2,0,0,0,0|1,1,0]=4 1152 B8R0.7 C=C(C)CCOCSC 8b354d12fad36f04225eaa7c7e6282c1 [0,2,0,0,0,0|1,0,0]=3 1153 B8R0.7 C=C(C)CNC/C=C/C c7be1ae97fd086dd2239e848e6fee73b [0,2,0,0,0,0|2,0,0]=4 1154 B8R0.7 C=C(C)CNC/C=C\C e30470768b4ddca8558dc6726d750699 [0,2,0,0,0,0|2,0,0]=4 1155 B8R0.7 C=C(C)CNCC#CC 486ec519a023a1886e29728325953b91 [0,2,0,0,0,0|2,0,0]=4 1156 B8R0.7 C=C(C)CNCC=CC 27c7ffefd2baed49c93eebb3f68c883a [0,2,0,0,0,0|2,0,0]=4 1157 B8R0.7 C=C(C)CNCCCC 47f5fb139675fc765be0663116650609 [0,2,0,0,0,0|2,0,0]=4 1158 B8R0.7 C=C(C)CNCCCCl 846c99a3b9539c7d1bf408b5c7720df3 [0,2,0,0,0,0|2,0,0]=4 1159 B8R0.7 C=C(C)CNCCCF beb220b1f62c61215fe4088c375ae748 [0,2,0,0,0,0|2,0,0]=4 1160 B8R0.7 C=C(C)CNCCCO 4c5bf90b2f32d3a4f10f165a15242432 [0,2,0,0,0,0|2,0,0]=4 1161 B8R0.7 C=C(C)CNCCCS 0a6e65af8417b99414a8ba398cfdd355 [0,2,0,0,0,0|2,0,0]=4 1162 B8R0.7 C=C(C)CNCCOC 9d11af89280f819077ad9c1b1c3e595f [0,2,0,0,0,0|1,1,0]=4 1163 B8R0.7 C=C(C)CNCCSC 3f20f05b0e16d23c2ebfc029ac4818f9 [0,2,0,0,0,0|1,0,0]=3 1164 B8R0.7 C=C(C)CNCOCC 5232fb2ea1283f6a12b07e7e1960cc36 [0,2,0,0,0,0|1,1,0]=4 1165 B8R0.7 C=C(C)CNCSC#N dea53883c5e978dd9dd9ced12cf20052 [0,2,0,0,0,0|1,0,1]=4 1166 B8R0.7 C=C(C)COC/C=C/C 9e04ae272e77494b81914f356505f011 [0,2,0,0,0,0|2,0,0]=4 1167 B8R0.7 C=C(C)COC/C=C\C 9dbefe19b47e28f99e26e900c779acc8 [0,2,0,0,0,0|2,0,0]=4 1168 B8R0.7 C=C(C)COCC#CC 512e17659a58b95a7096a180bdf78bb8 [0,2,0,0,0,0|2,0,0]=4 1169 B8R0.7 C=C(C)COCC=CC 7ce3cc41c79f9b5fa7caf1b55f5060e6 [0,2,0,0,0,0|2,0,0]=4 1170 B8R0.7 C=C(C)COCCCC 260d3670dc084e87502d9a9ffe570e3c [0,2,0,0,0,0|2,0,0]=4 1171 B8R0.7 C=C(C)COCCCF d7bfb5949c51972c3e54f6e8bca91cae [0,2,0,0,0,0|2,0,0]=4 1172 B8R0.7 C=C(C)COCCCS ce1f8ade88868e163cf874f2fb32694a [0,2,0,0,0,0|2,0,0]=4 1173 B8R0.7 C=C(C)COCCOC 4c97b3aa85916d5020a98673772e2c8a [0,2,0,0,0,0|1,1,0]=4 1174 B8R0.7 C=C(C)COCCSC f6054d02b49bf489f798212392eec68c [0,2,0,0,0,0|1,0,0]=3 1175 B8R0.7 C=C(C)COCOCC 386ffc84facf9cdf98d22feeb307d2d3 [0,2,0,0,0,0|1,1,0]=4 1176 B8R0.7 C=C(C)COCSC#N c19d8d48a761e893d5e4f893ca86a7a4 [0,2,0,0,0,0|1,0,1]=4 1177 B8R0.7 C=C(Cl)CNCCSC 510ed02e52d250f4e3877597d05cc565 [0,2,0,0,0,0|1,0,1]=4 1178 B8R0.7 C=C(Cl)COCCSC f3861298614a897487da4435e963ef56 [0,2,0,0,0,0|1,0,1]=4 1179 B8R0.7 C=C(F)CNCCSC d0c31b69c02ec918e82a738748803c26 [0,2,0,0,0,0|1,0,1]=4 1180 B8R0.7 C=C(F)COCCSC e51737a42dec5b58b92e49d087c27bec [0,2,0,0,0,0|1,0,1]=4 1181 B8R0.7 C=C(I)COCCSC c966d9f86e479c95cf6527498693e642 [0,2,0,0,0,0|1,0,1]=4 1182 B8R0.7 C=CCCCNC(=O)C a96a5f1b6b5650813d22e03237823400 [0,2,0,0,0,0|1,0,1]=4 1183 B8R0.7 C=CCCNCC(=O)C bcd99b30d0ece034ae8651490e56c6a5 [0,2,0,0,0,0|1,0,1]=4 1184 B8R0.7 C=CCCOCC(=O)C 797d503837e4e202e9cb8254fa6d250d [0,2,0,0,0,0|1,0,1]=4 1185 B8R0.7 C=CCNCCC(=C)C e1ece5aaf51742689634160a6473c00c [0,2,0,0,0,0|2,0,0]=4 1186 B8R0.7 C=CCNCCC(=O)N c4e22c4e97d549ee7501dda7440906e2 [0,2,0,0,0,0|2,0,0]=4 1187 B8R0.7 C=CCNCCC(=O)O 4a5debfd45f8c7320860717744993f2a [0,2,0,0,0,0|2,0,0]=4 1188 B8R0.7 C=CCNCCS(=O)C e6c8e6fbeb45e19f52070af4b457befa [0,2,0,0,0,0|2,0,0]=4 1189 B8R0.7 C=CCOCCC(=C)C 7e1709490e00f3635bad6c701b48ead8 [0,2,0,0,0,0|1,1,0]=4 1190 B8R0.7 C=CCOCCC(=O)C 329a78e4caec96ed4eabde1e54085f6f [0,2,0,0,0,0|0,1,0]=3 1191 B8R0.7 C=CCOCCC(=O)N c683f70750e78c699bdb2e05fabddbb6 [0,2,0,0,0,0|1,1,0]=4 1192 B8R0.7 C=CCOCCC(=O)O 9ce82e4dfa256c2803f66fd7129065f2 [0,2,0,0,0,0|1,1,0]=4 1193 B8R0.7 C=CCOCCS(=O)C 080f8a20cdcacfdf3cf78abb0a4ef050 [0,2,0,0,0,0|1,1,0]=4 1194 B8R0.7 C=CCOCNC(=O)C 9865141036101ac320553ca04e5ea416 [0,2,0,0,0,0|1,0,1]=4 1195 B8R0.7 C=COCCNC(=O)C d3122f3ee5d15f554ff520f72b049913 [0,2,0,0,0,0|0,1,1]=4 1196 B8R0.7 CC#CCNCC(=O)N 98e7dd49acfde0590b88c5c43e6a2d4e [0,2,0,0,0,0|2,0,0]=4 1197 B8R0.7 CC#CCNCC(=O)O 839a83969460cb5276f0ce2f33e20420 [0,2,0,0,0,0|2,0,0]=4 1198 B8R0.7 CC#CCOCC(=O)N ef79d1ce9d8ff13308dca4126378cdb3 [0,2,0,0,0,0|2,0,0]=4 1199 B8R0.7 CC#CCOCC(=O)O fcec6ff15e4ba99fb579eff8ab750539 [0,2,0,0,0,0|2,0,0]=4 1200 B8R0.7 CC(=O)CCCNC#N 8b7273c99af5c82cd0047226199ec8d9 [0,2,0,0,0,0|1,0,1]=4 1201 B8R0.7 CC(=O)CCCOCF c94204172541830dae5131095b16871b [0,2,0,0,0,0|0,1,0]=3 1202 B8R0.7 CC(=O)CCNCC#N 769fb98f7c4af2806e1b1e6106e1fb3b [0,2,0,0,0,0|1,0,0]=3 1203 B8R0.7 CC(=O)CCNCCBr 24723ec774300f363e1c4ef5edc15c1c [0,2,0,0,0,0|1,0,0]=3 1204 B8R0.7 CC(=O)CCNCCF 40798bc4989369da7dcdf726fe0e87a1 [0,2,0,0,0,0|1,0,0]=3 1205 B8R0.7 CC(=O)CCNCCI d7d5a1870b965338fecd7489cd9c07db [0,2,0,0,0,0|1,0,0]=3 1206 B8R0.7 CC(=O)CCNCCO a83400d724de744cf447c1456bef989f [0,2,0,0,0,0|1,0,0]=3 1207 B8R0.7 CC(=O)CCNCCS 47ae194edd083db7c9ba93ef9079950b [0,2,0,0,0,0|1,0,0]=3 1208 B8R0.7 CC(=O)CCOCC#N e0071fb57f9ed70e6e69159a4d59ad92 [0,2,0,0,0,0|0,1,0]=3 1209 B8R0.7 CC(=O)CCOCC=O 7d9485ec83093875068f9e670696c657 [0,2,0,0,0,0|0,1,0]=3 1210 B8R0.7 CC(=O)CCOCCF 7fad36a16ea18946b1976097922c5d63 [0,2,0,0,0,0|0,1,0]=3 1211 B8R0.7 CC(=O)CCOCCS 9f3db6cd3be1dbc7c558d110015ffb61 [0,2,0,0,0,0|0,1,0]=3 1212 B8R0.7 CC(=O)CNC/C=C/Cl 13a982d0bf036de3de1c23fe451d2731 [0,2,0,0,0,0|1,0,1]=4 1213 B8R0.7 CC(=O)CNC/C=C\Cl 6486c7e47bd03153148fdbc79f40f662 [0,2,0,0,0,0|1,0,1]=4 1214 B8R0.7 CC(=O)CNC/C=C\O 19a7672d1a67f2a1a9815025c4514fdd [0,2,0,0,0,0|1,0,1]=4 1215 B8R0.7 CC(=O)CNCCC#N cee37c97fe16e1f2f71518cd3f26d1c6 [0,2,0,0,0,0|1,0,1]=4 1216 B8R0.7 CC(=O)CNCCC=O 9828f01b09fdb5fac4564520c95c63a6 [0,2,0,0,0,0|1,0,1]=4 1217 B8R0.7 CC(=O)CNCCCF 01d09128914fbef0e9d6c6589849cfeb [0,2,0,0,0,0|1,0,0]=3 1218 B8R0.7 CC(=O)CNCCCO 6b18feab134fa1608a1e961ad3762058 [0,2,0,0,0,0|1,0,0]=3 1219 B8R0.7 CC(=O)CNCCCS 482b044f1453b6ed81cab115d2862b45 [0,2,0,0,0,0|1,0,0]=3 1220 B8R0.7 CC(=O)CNCSC#N a6d239233cf01f15bf55514d69c12a89 [0,2,0,0,0,0|0,0,1]=3 1221 B8R0.7 CC(=O)COC/C=C/Cl f28a84584009e5c8efc1107a62fa8ba7 [0,2,0,0,0,0|1,0,1]=4 1222 B8R0.7 CC(=O)COC/C=C\Cl 66fd27dbc2c5b7652d1a6492573d5a55 [0,2,0,0,0,0|1,0,1]=4 1223 B8R0.7 CC(=O)COCCC#N 124c12496a741677c11befadae46beff [0,2,0,0,0,0|1,0,1]=4 1224 B8R0.7 CC(=O)COCCC=O 67fac1685908ac3ed2e3421f7c02f4dc [0,2,0,0,0,0|1,0,1]=4 1225 B8R0.7 CC(=O)COCCCF 7e71123e6763570d0b52e6653e8ee828 [0,2,0,0,0,0|1,0,0]=3 1226 B8R0.7 CC(=O)COCCCS 638442dc16e5a63efd8808c1ef8dea5e [0,2,0,0,0,0|1,0,0]=3 1227 B8R0.7 CC(=O)COCSC#N 45722447bc4e749f07479fd95098068f [0,2,0,0,0,0|0,0,1]=3 1228 B8R0.7 CC(=O)NCC#CCO 4919a6f100f8a62500b898bebf5a0bda [0,2,0,0,0,0|1,0,1]=4 1229 B8R0.7 CC(=O)NCCCC#N 4c43f07b4dd9f661d7f672a979b3f954 [0,2,0,0,0,0|1,0,1]=4 1230 B8R0.7 CC(=O)NCCCCCl ca2b0e10b9c67d6c9ac8f4d9ab4c2b88 [0,2,0,0,0,0|1,0,0]=3 1231 B8R0.7 CC(=O)NCCCCO 57936c738ed3f822f33ee01b6260a94e [0,2,0,0,0,0|1,0,0]=3 1232 B8R0.7 CC(=O)NCCCCS c05ad9ce2696d1887a7029e678ac4e5e [0,2,0,0,0,0|1,0,0]=3 1233 B8R0.7 CC(=O)NCCNC#N 95efa0023bceb0a2b0d79fbdaebbcbbd [0,2,0,0,0,0|1,0,1]=4 1234 B8R0.7 CC(=O)NCCNC=O 4f32f9322d14cf6774bb2f41854d1526 [0,2,0,0,0,0|1,0,1]=4 1235 B8R0.7 CC(=O)NCCNCF db91b63aaf221a36f5f6ac9412eb39bb [0,2,0,0,0,0|1,0,0]=3 1236 B8R0.7 CC(=O)NCCNCO 818a1f0b2f9e527fc51c0718d6aa51ec [0,2,0,0,0,0|1,0,0]=3 1237 B8R0.7 CC(=O)NCCOCF 64711f295825afc1aa99ebd9c8f8a648 [0,2,0,0,0,0|0,1,0]=3 1238 B8R0.7 CC(=O)NCOCC#N b053a1344c34ad65ecd0de92c5fa0aa8 [0,2,0,0,0,0|1,1,0]=4 1239 B8R0.7 CC(=O)NCOCC=O 310db67b0a81e8cdbbbd8479bed9a419 [0,2,0,0,0,0|1,1,0]=4 1240 B8R0.7 CC(=O)NCOCCF 71f4d510aaa6fcd6f0cc129128b41850 [0,2,0,0,0,0|1,1,0]=4 1241 B8R0.7 CC(=O)NCOCCS ea386d431c82b5e4a577412c44abfbbd [0,2,0,0,0,0|1,1,0]=4 1242 B8R0.7 CC(=O)OCCNC#N d3b7a34c2be1145ddbc69d025dbeb0a2 [0,2,0,0,0,0|1,0,1]=4 1243 B8R0.7 CC(=O)OCCOCF 756380d609b85c4340107bc6c786fe33 [0,2,0,0,0,0|0,1,0]=3 1244 B8R0.7 CC(=O)OCNCC#N 86364d6a718cf5fa48d9cba08e93433f [0,2,0,0,0,0|2,0,0]=4 1245 B8R0.7 CC(=O)OCNCCBr 174298ba317d3d2bde96945db1ddc7ca [0,2,0,0,0,0|2,0,0]=4 1246 B8R0.7 CC(=O)OCNCCF 63fb375855a825e0738d855f91fad5fd [0,2,0,0,0,0|2,0,0]=4 1247 B8R0.7 CC(=O)OCNCCI dbce8e98f599d4912e85f711777f148f [0,2,0,0,0,0|2,0,0]=4 1248 B8R0.7 CC(=O)OCNCCO 02ed0f7075f3856f82fcf4a6039e490a [0,2,0,0,0,0|2,0,0]=4 1249 B8R0.7 CC(=O)OCNCCS 754743a28ff18a32145801e587e13f07 [0,2,0,0,0,0|2,0,0]=4 1250 B8R0.7 CC(=O)OCOCC#N 6c9d2cfa71f296d57d67637eb988c618 [0,2,0,0,0,0|1,1,0]=4 1251 B8R0.7 CC(=O)OCOCCF 5b1b288bc16deebdd842b5c68c58b799 [0,2,0,0,0,0|1,1,0]=4 1252 B8R0.7 CC(=O)OCOCCS 5bf0970c2800c0896344fcb315a8ccbb [0,2,0,0,0,0|1,1,0]=4 1253 B8R0.7 CC(=O)SCCNC#N 2ae6bbba50ca20c4c7a6599298b92317 [0,2,0,0,0,0|1,0,1]=4 1254 B8R0.7 CC=CCNCC(=O)N 7efd7732ed8821f9c7210004bad86f98 [0,2,0,0,0,0|2,0,0]=4 1255 B8R0.7 CC=CCNCC(=O)O ca4b4f47c78da4f7c20abbf90afdb294 [0,2,0,0,0,0|2,0,0]=4 1256 B8R0.7 CC=CCOCC(=O)N 88e8dd09adb68044e374d93bc6b3c79e [0,2,0,0,0,0|2,0,0]=4 1257 B8R0.7 CC=CCOCC(=O)O c8d8ca65cbc2c5e4d49fda8c8e6e7f5b [0,2,0,0,0,0|2,0,0]=4 1258 B8R0.7 CCCCCNC(=O)C da50d5d5f7d2f7c8f9763330c7139773 [0,2,0,0,0,0|1,0,0]=3 1259 B8R0.7 CCCCNCC(=O)C 8dbf7bfa43a4d98486dbc3615b11d498 [0,2,0,0,0,0|1,0,0]=3 1260 B8R0.7 CCCCNCC(=O)N 69585f0b9c8687120ac53dbaccd84fc0 [0,2,0,0,0,0|2,0,0]=4 1261 B8R0.7 CCCCNCC(=O)O a8de0a477de91420770c0a272ef6f881 [0,2,0,0,0,0|2,0,0]=4 1262 B8R0.7 CCCCOCC(=O)C badc4ff846862f74785a1abd49004213 [0,2,0,0,0,0|1,0,0]=3 1263 B8R0.7 CCCCOCC(=O)N 34eb6fb5b7f360ec9fe33699fca54d51 [0,2,0,0,0,0|2,0,0]=4 1264 B8R0.7 CCCCOCC(=O)O a087235172e11e6141c3e38f9ce4e4ce [0,2,0,0,0,0|2,0,0]=4 1265 B8R0.7 CCCNC/C=C(/C)\I a77ce06125d9c73831e62376d6be0fc0 [0,2,0,0,0,0|2,0,0]=4 1266 B8R0.7 CCCNC/C=C(\C)/Cl 126e03eaad5b55a6a1e28418959632f2 [0,2,0,0,0,0|2,0,0]=4 1267 B8R0.7 CCCNCC=C(C)C 029a389e0c61ae0bd25944f993ae298b [0,2,0,0,0,0|2,0,0]=4 1268 B8R0.7 CCCNCC=C(C)Cl efaac4fe73efd3293fd70f693c290d56 [0,2,0,0,0,0|2,0,0]=4 1269 B8R0.7 CCCNCC=C(C)I a5752b317cc0800d3b92ad72ab74de8f [0,2,0,0,0,0|2,0,0]=4 1270 B8R0.7 CCCNCCC(=O)C d627d93187ac3c2b4a5879a831f73b21 [0,2,0,0,0,0|1,0,0]=3 1271 B8R0.7 CCCNCCC(=O)N 8a2306560cfefa8994234df81900436d [0,2,0,0,0,0|2,0,0]=4 1272 B8R0.7 CCCNCCC(=O)O 47226423aa5b665923516680070294a2 [0,2,0,0,0,0|2,0,0]=4 1273 B8R0.7 CCCNCCS(=O)C 8907fe98197a1b6e79d094b2d7a6d4a5 [0,2,0,0,0,0|2,0,0]=4 1274 B8R0.7 CCCNCOC(=O)C 9a03e4459c640878e7dba532d4a06502 [0,2,0,0,0,0|1,0,0]=3 1275 B8R0.7 CCCNCSC(=O)N 21ecf184b2a8dc86141aa6b38ac15f2d [0,2,0,0,0,0|2,0,0]=4 1276 B8R0.7 CCCOC/C=C(/C)\Cl e5b94c0880532c7df7e87dea267bb3ef [0,2,0,0,0,0|2,0,0]=4 1277 B8R0.7 CCCOC/C=C(/C)\I 1101d7d371ceb7c7bf005fcd8d3d5521 [0,2,0,0,0,0|2,0,0]=4 1278 B8R0.7 CCCOC/C=C(\C)/Cl 3b21530ea6646e5380074ec64c6c9e4b [0,2,0,0,0,0|2,0,0]=4 1279 B8R0.7 CCCOCC=C(C)C b30e82a8d352d0695bc34774c65bba1f [0,2,0,0,0,0|2,0,0]=4 1280 B8R0.7 CCCOCC=C(C)Cl 4a4c390369b94edf3a434bd7810fee83 [0,2,0,0,0,0|2,0,0]=4 1281 B8R0.7 CCCOCC=C(C)I 1c329db9da6fd808a5be639e1c562867 [0,2,0,0,0,0|2,0,0]=4 1282 B8R0.7 CCCOCCC(=O)C 8597bbc8bbaf08f1a613a7aab0165313 [0,2,0,0,0,0|0,1,0]=3 1283 B8R0.7 CCCOCCC(=O)N c20536b6c03bcadb1169aacd62e340d9 [0,2,0,0,0,0|1,1,0]=4 1284 B8R0.7 CCCOCCC(=O)O 65883243788987d42449403fa915dd7d [0,2,0,0,0,0|1,1,0]=4 1285 B8R0.7 CCCOCCS(=O)C 2c35684313aa0effe020f10a0837e485 [0,2,0,0,0,0|1,1,0]=4 1286 B8R0.7 CCCOCNC(=O)C 6e99cd8c316495881ee605429ae8a169 [0,2,0,0,0,0|1,0,0]=3 1287 B8R0.7 CCCOCNC(=O)N 0c3353a650f6a23c649d3b49f74f0755 [0,2,0,0,0,0|2,0,0]=4 1288 B8R0.7 CCCOCOC(=O)C 0e004ff978c0c5c886108e25bd8d5e38 [0,2,0,0,0,0|1,0,0]=3 1289 B8R0.7 CCCOCSC(=O)N a8d0da169e47db6ff5658c749b630f62 [0,2,0,0,0,0|2,0,0]=4 1290 B8R0.7 CCNCCCC(=O)N d2cce21c7501504eb75a33266b0e5999 [0,2,0,0,0,0|2,0,0]=4 1291 B8R0.7 CCNCCCC(=O)O 9ad241b55443dd68da66ff4694ff3500 [0,2,0,0,0,0|2,0,0]=4 1292 B8R0.7 CCNCCCS(=O)C 391b9e72626e76cdd4e5a903c9b4bc67 [0,2,0,0,0,0|2,0,0]=4 1293 B8R0.7 CCNCCNC(=O)C 826d20b3d4f7b158aa9991d8c5f577d5 [0,2,0,0,0,0|1,0,0]=3 1294 B8R0.7 CCOCCCC(=O)C d3d73835b0002e0a803c11778e6c42f8 [0,2,0,0,0,0|0,1,0]=3 1295 B8R0.7 CCOCCCC(=O)N 32b0b6c66e42630050975d53410c1100 [0,2,0,0,0,0|1,1,0]=4 1296 B8R0.7 CCOCCNC(=O)C 364422f97eb926237421a47e55dbdc32 [0,2,0,0,0,0|0,1,0]=3 1297 B8R0.7 CCOCCNC(=O)N 1d69caaced26be13153afb55af020221 [0,2,0,0,0,0|1,1,0]=4 1298 B8R0.7 CCOCCOC(=O)C 65c3fc557763a3804d7e247a1996cb75 [0,2,0,0,0,0|0,1,0]=3 1299 B8R0.7 CCOCNCC(=O)C 534404aa2bb4eb60a9a5f4f7d068a4cd [0,2,0,0,0,0|0,1,0]=3 1300 B8R0.7 CCOCNCC(=O)N 8c5834421c71bace2ac17791d8413420 [0,2,0,0,0,0|1,1,0]=4 1301 B8R0.7 CCOCNCC(=O)O 0cadae74986469dc80946ca8e9bb1b07 [0,2,0,0,0,0|1,1,0]=4 1302 B8R0.7 CCOCOCC(=O)C e044734fa15c25bee2b20056cca4f1a8 [0,2,0,0,0,0|0,1,0]=3 1303 B8R0.7 CCOCOCC(=O)N 4677b548e92ecffae954122455550d38 [0,2,0,0,0,0|1,1,0]=4 1304 B8R0.7 CCSCCNC(=O)C 8c3ea9957cae597313583e7951afded4 [0,2,0,0,0,0|0,0,0]=2 1305 B8R0.7 CCSCCNC(C)C e8c172a8efb77b85e768a4192a22b53f [0,2,0,0,0,0|1,0,1]=4 1306 B8R0.7 CCSCCOC(C)C d8b7a1fba7566c3744049605e758719d [0,2,0,0,0,0|1,0,1]=4 1307 B8R0.7 COCCCNC(=O)C 526fcf80a030c8c3912a63af41d08c51 [0,2,0,0,0,0|0,1,0]=3 1308 B8R0.7 COCCNCC(=O)C 961ddbf961717199cb7ccbe5fdba9647 [0,2,0,0,0,0|0,1,0]=3 1309 B8R0.7 COCCNCC(=O)N 137fcc310030132af81430a136880512 [0,2,0,0,0,0|1,1,0]=4 1310 B8R0.7 COCCNCC(=O)O 5ce813bb3dda5e9060aa6f61548b6a1a [0,2,0,0,0,0|1,1,0]=4 1311 B8R0.7 COCCOCC(=O)C c43dd4e6beb50da293ecb7edbd68b366 [0,2,0,0,0,0|0,1,0]=3 1312 B8R0.7 COCCOCC(=O)N 52e3a5cb41b7881a4ace23e25a8bc04a [0,2,0,0,0,0|1,1,0]=4 1313 B8R0.7 COCCOCC(=O)O 003ae303058ace8e592ced58cf4e05e5 [0,2,0,0,0,0|1,1,0]=4 1314 B8R0.7 COCNCC=C(C)C 44d00f3be0e21ff071ad6c1288f1c267 [0,2,0,0,0,0|1,1,0]=4 1315 B8R0.7 COCNCCC(=O)N 75a34d6a21e65f0fa9c3ab03a203332a [0,2,0,0,0,0|1,1,0]=4 1316 B8R0.7 COCNCCC(=O)O 6cfc61f9f7468a99c69b381c4067bdfb [0,2,0,0,0,0|1,1,0]=4 1317 B8R0.7 COCNCCS(=O)C c1b03b36250a7d65845034eba40ff581 [0,2,0,0,0,0|1,1,0]=4 1318 B8R0.7 COCOC/C=C(/C)\Cl 3776a205f0b3ed3b43784b67a9768dc6 [0,2,0,0,0,0|1,1,0]=4 1319 B8R0.7 COCOC/C=C(/C)\I 0e8d23d28e53c050fb72528763986d24 [0,2,0,0,0,0|1,1,0]=4 1320 B8R0.7 COCOC/C=C(\C)/Cl 23a2a577a7bc051f382b9e7ddd5bbaf6 [0,2,0,0,0,0|1,1,0]=4 1321 B8R0.7 COCOCC=C(C)C eb10f9b59f2f4c3199e566133e6d3f14 [0,2,0,0,0,0|1,1,0]=4 1322 B8R0.7 COCOCC=C(C)Cl 15c802fd764248f4bd30dc44ceb30738 [0,2,0,0,0,0|1,1,0]=4 1323 B8R0.7 COCOCC=C(C)I 8fcfb14eb360bce6250b6434a2546cba [0,2,0,0,0,0|1,1,0]=4 1324 B8R0.7 COCOCCC(=O)C 85ebfe45bbace861b367f83c75d33358 [0,2,0,0,0,0|0,1,0]=3 1325 B8R0.7 COCOCCC(=O)N dacd263a3e35c03bcd8f525b496ade95 [0,2,0,0,0,0|1,1,0]=4 1326 B8R0.7 COCOCCC(=O)O 1302d1ad564a958c9ef097b350c13897 [0,2,0,0,0,0|1,1,0]=4 1327 B8R0.7 COCOCCS(=O)C 5c514c40760f28852b9a3cba0a2dcded [0,2,0,0,0,0|1,1,0]=4 1328 B8R0.7 COCOCNC(=O)C 312d16668782054e8a09863d487deec3 [0,2,0,0,0,0|0,1,0]=3 1329 B8R0.7 COCOCNC(=O)N 8c51aa8d583d0d6c2d56097b83e9eb7a [0,2,0,0,0,0|1,1,0]=4 1330 B8R0.7 COCOCOC(=O)C 54249d0e78c186a79ad9be3cc51e7aac [0,2,0,0,0,0|0,1,0]=3 1331 B8R0.7 COCOCSC(=O)N f4fd591d10edf01493f31a36cb5acea5 [0,2,0,0,0,0|1,1,0]=4 1332 B8R0.7 CS(=O)CCCNCF 1782bd36c07605f68f0fc42848ad0ff8 [0,2,0,0,0,0|2,0,0]=4 1333 B8R0.7 CS(=O)CCCNCO 61e6364bb166cbf2cabd3dc6ad6ca626 [0,2,0,0,0,0|2,0,0]=4 1334 B8R0.7 CS(=O)CCNCC#N 6732dba6a75671c251d39a4794958cac [0,2,0,0,0,0|2,0,0]=4 1335 B8R0.7 CS(=O)CCNCC=O 8c3be09abac30b1ba1881382c982061c [0,2,0,0,0,0|2,0,0]=4 1336 B8R0.7 CS(=O)CCNCCBr 65a2b15dd6aa44ab4cdd342d230b704b [0,2,0,0,0,0|2,0,0]=4 1337 B8R0.7 CS(=O)CCNCCF cbee396aafd868112d9d9f046e829220 [0,2,0,0,0,0|2,0,0]=4 1338 B8R0.7 CS(=O)CCNCCI 629ce25a6db322c2ba9dda0f6a58fe44 [0,2,0,0,0,0|2,0,0]=4 1339 B8R0.7 CS(=O)CCNCCO 93f7733e139b010e12660cb8139e909a [0,2,0,0,0,0|2,0,0]=4 1340 B8R0.7 CS(=O)CCNCCS 49818c7057088eae67f281721402a222 [0,2,0,0,0,0|2,0,0]=4 1341 B8R0.7 CS(=O)CCOCC#N a76e9c5740da2e82df6581525470fa23 [0,2,0,0,0,0|1,1,0]=4 1342 B8R0.7 CS(=O)CCOCC=O 29eecdac67755e86d2be2b2f45a9b6a4 [0,2,0,0,0,0|1,1,0]=4 1343 B8R0.7 CS(=O)CCOCCF fdaadfc676436847a62c0e42bb0f6865 [0,2,0,0,0,0|1,1,0]=4 1344 B8R0.7 CS(=O)CCOCCS 189076507e3322af2f6154476fa0f988 [0,2,0,0,0,0|1,1,0]=4 1345 B8R0.7 CSCCCNC(=O)C f4b4c7d4d652abb45039c5639b312853 [0,2,0,0,0,0|0,0,0]=2 1346 B8R0.7 CSCCCNC(C)C 6b279fd0ea31fe5ab25c2d7757b17983 [0,2,0,0,0,0|1,0,1]=4 1347 B8R0.7 CSCCCOC(C)C f53d2336fb0f520dbcdbe91d0f6f8fb0 [0,2,0,0,0,0|1,0,1]=4 1348 B8R0.7 CSCCNCC(=O)C 8b0311856afbb6796c6aad3a263d628d [0,2,0,0,0,0|0,0,0]=2 1349 B8R0.7 CSCCNCC(=O)N 4e8fca086c3faa7db23a74b3dfff0f2f [0,2,0,0,0,0|1,0,0]=3 1350 B8R0.7 CSCCNCC(=O)O f1b95c9de1a925845087f31bd4bae7df [0,2,0,0,0,0|1,0,0]=3 1351 B8R0.7 CSCCNCC(C)C 16d1e3af66ad99f6b4393c7a907a603c [0,2,0,0,0,0|1,0,1]=4 1352 B8R0.7 CSCCNCC(C)O 684b1705ba2238f55a9db5f4eaf48d67 [0,2,0,0,0,0|0,0,2]=4 1353 B8R0.7 CSCCNCN(C)C edda138cdc9bd8edfa25bc3427b1419d [0,2,0,0,0,0|2,0,0]=4 1354 B8R0.7 CSCCNC[C@@H](C)O bc0fd1dc506166a7fd0edef563d937ce [0,2,0,0,0,0|0,0,2]=4 1355 B8R0.7 CSCCNC[C@H](C)O db068fc33901ed1895a5d7d51bc4242d [0,2,0,0,0,0|0,0,2]=4 1356 B8R0.7 CSCCNC[N+](=O)[O-] 4e94b2e61054a620ea96c1c59120e88c [0,2,0,0,0,0|2,0,0]=4 1357 B8R0.7 CSCCOCC(=O)C fd4e693f71d7966351ba22f8108e19ff [0,2,0,0,0,0|0,0,0]=2 1358 B8R0.7 CSCCOCC(=O)N c731f0739b7e1ef13acc36f6574a92da [0,2,0,0,0,0|1,0,0]=3 1359 B8R0.7 CSCCOCC(=O)O db65161c67ff612db3780dea90f2a2f8 [0,2,0,0,0,0|1,0,0]=3 1360 B8R0.7 CSCCOCC(=S)N 8e53e76a280366e5d6cfa827b0973738 [0,2,0,0,0,0|1,1,0]=4 1361 B8R0.7 CSCCOCC(C)C 0d7a1f3f7a05c508cd670d9e86716796 [0,2,0,0,0,0|1,0,1]=4 1362 B8R0.7 CSCCOCC(C)F 80f140badf9f25b22d70fb346f4d0883 [0,2,0,0,0,0|1,0,1]=4 1363 B8R0.7 CSCCOCC(C)S 2f86d3f6e09192270304f09a6b263742 [0,2,0,0,0,0|0,1,1]=4 1364 B8R0.7 CSCCOCN(C)C 9308692fd6962d1147703bf4247f7a7d [0,2,0,0,0,0|2,0,0]=4 1365 B8R0.7 CSCCOCS(=O)O 15541620354d70e96c81747abb1141b3 [0,2,0,0,0,0|2,0,0]=4 1366 B8R0.7 CSCCOC[C@@H](C)F 5ba4bde9293c7841a265783d6b74aa63 [0,2,0,0,0,0|1,0,1]=4 1367 B8R0.7 CSCCOC[C@H](C)F ee0c773744b281d9a929624016cd27ef [0,2,0,0,0,0|1,0,1]=4 1368 B8R0.7 CSCCOC[N+](=O)[O-] 2bf267c3fb5b82c38f2e976f242beca6 [0,2,0,0,0,0|2,0,0]=4 1369 B8R0.7 CSCNCC=C(C)C bd33927766e98f2dd5dacc45b1e895e0 [0,2,0,0,0,0|1,0,0]=3 1370 B8R0.7 CSCNCCC(=O)N 2c9d140685046003cf9f9ad555d9359d [0,2,0,0,0,0|1,0,0]=3 1371 B8R0.7 CSCNCCC(=O)O 098fcb068b20e260bdec4c343b4671e9 [0,2,0,0,0,0|1,0,0]=3 1372 B8R0.7 CSCNCCC(=S)N 07fc989e9e3a9aa655f41a9b936a37d9 [0,2,0,0,0,0|1,1,0]=4 1373 B8R0.7 CSCNCCC(C)C 1214140341214495e484e265d71b8d27 [0,2,0,0,0,0|1,0,1]=4 1374 B8R0.7 CSCNCCC(C)O 8079af77e795db5c9b76b0339e48e07c [0,2,0,0,0,0|0,0,2]=4 1375 B8R0.7 CSCNCCN(C)C 9d3024d7eac1e67f9ded5bf630b1a615 [0,2,0,0,0,0|2,0,0]=4 1376 B8R0.7 CSCNCCS(=O)C 584a2850b756fa8cc87b9ef394dad8f0 [0,2,0,0,0,0|1,0,0]=3 1377 B8R0.7 CSCNCCS(=O)O 14787ffddc12e16cb93df9154674fbee [0,2,0,0,0,0|2,0,0]=4 1378 B8R0.7 CSCNCC[C@@H](C)O 40afe2c009067bdceded9420a01d83c2 [0,2,0,0,0,0|0,0,2]=4 1379 B8R0.7 CSCNCC[C@H](C)O f099555ead223e55238d1cd9c176fd2a [0,2,0,0,0,0|0,0,2]=4 1380 B8R0.7 CSCOC/C=C(/C)\Cl 8d77159a9471ed7fc5abfcaf1f063828 [0,2,0,0,0,0|1,0,0]=3 1381 B8R0.7 CSCOC/C=C(/C)\I f0fc199a9870d21b85403d2ccfe3954c [0,2,0,0,0,0|1,0,0]=3 1382 B8R0.7 CSCOCC=C(C)C 11fcffec5a5501fa1669666c27a89e75 [0,2,0,0,0,0|1,0,0]=3 1383 B8R0.7 CSCOCC=C(C)I 58f451f90704dfc8e77cfeb8f7eddabe [0,2,0,0,0,0|1,0,0]=3 1384 B8R0.7 CSCOCC=C(Cl)Cl a1b2e54995c24b4d0bd0e3cda8ef3970 [0,2,0,0,0,0|2,0,0]=4 1385 B8R0.7 CSCOCCC(=O)C b844a3f3dbea733d811f327fadd49286 [0,2,0,0,0,0|0,0,0]=2 1386 B8R0.7 CSCOCCC(=O)N 80656c5e91a3a0e1eab18691c1ff654d [0,2,0,0,0,0|1,0,0]=3 1387 B8R0.7 CSCOCCC(=O)O 729e28748e361be58000ab33275c6b91 [0,2,0,0,0,0|1,0,0]=3 1388 B8R0.7 CSCOCCC(C)C de4759993ae77e6152e45a8e6c1a8f14 [0,2,0,0,0,0|1,0,1]=4 1389 B8R0.7 CSCOCCN(C)C 12c65a5bf6ef4fa41ce73a42c72404c0 [0,2,0,0,0,0|2,0,0]=4 1390 B8R0.7 CSCOCCS(=O)C 36c06b13169a7a72e8a51ac6beeed9ff [0,2,0,0,0,0|1,0,0]=3 1391 B8R0.7 CSCOCC[N+](=O)[O-] a8e53e59529e1e59f22f7e8be399ce4a [0,2,0,0,0,0|2,0,0]=4 1392 B8R0.7 CSCOCNC(=O)C 30bfc52f57e4ed91a642bf8853a3d4bb [0,2,0,0,0,0|0,0,0]=2 1393 B8R0.7 CSCOCNC(=O)N e604504e4304b798bbdf3488c593e93f [0,2,0,0,0,0|1,0,0]=3 1394 B8R0.7 N#CCNCCC(=O)N dc2c92addb1257280c2705d4f7fcbab5 [0,2,0,0,0,0|2,0,0]=4 1395 B8R0.7 N#CCNCCC(=O)O 26556793ee589201382d4a045c687d03 [0,2,0,0,0,0|2,0,0]=4 1396 B8R0.7 N#CCOCCC(=O)N 948f9d5fd94bc56f98e2861842051f65 [0,2,0,0,0,0|1,1,0]=4 1397 B8R0.7 N#CCOCCC(=O)O 5682b245006f80100a85fc7fd38aef94 [0,2,0,0,0,0|1,1,0]=4 1398 B8R0.7 N#CSCNCC(=O)N deb893d12a52a44332f8d4c7f0ff6e11 [0,2,0,0,0,0|1,0,1]=4 1399 B8R0.7 N#CSCOCC(=O)O f04eba213eb0e16424d9312cff8fec49 [0,2,0,0,0,0|1,0,1]=4 1400 B8R0.7 NC(=O)CCCNCF 69e545c202cd7c9a6342c69c6e6a5f59 [0,2,0,0,0,0|2,0,0]=4 1401 B8R0.7 NC(=O)CCCNCO f70a60c235672d89293f900a8d9cefa7 [0,2,0,0,0,0|2,0,0]=4 1402 B8R0.7 NC(=O)CCCOCF 15f9a4387dce16382a2e493f0dda5b13 [0,2,0,0,0,0|1,1,0]=4 1403 B8R0.7 NC(=O)CCNCC=O bc87ead88c5b068b2b991d595ef66ed6 [0,2,0,0,0,0|2,0,0]=4 1404 B8R0.7 NC(=O)CCNCCBr ef24ce00bd552b4c7b9798b47e83c534 [0,2,0,0,0,0|2,0,0]=4 1405 B8R0.7 NC(=O)CCNCCF 6b59759188d6118acfcc7c61e6ea8d88 [0,2,0,0,0,0|2,0,0]=4 1406 B8R0.7 NC(=O)CCNCCI 3bfe0d669e39520f94e74660ecea4a46 [0,2,0,0,0,0|2,0,0]=4 1407 B8R0.7 NC(=O)CCNCCO ea9a91e023644befadbf5d244e261bb0 [0,2,0,0,0,0|2,0,0]=4 1408 B8R0.7 NC(=O)CCNCCS c12ed7aa66bfc39da304ecb7c8d6cdd6 [0,2,0,0,0,0|2,0,0]=4 1409 B8R0.7 NC(=O)CCOCC=O 0f8544d00ceae7ccf81f543e5c4d2807 [0,2,0,0,0,0|1,1,0]=4 1410 B8R0.7 NC(=O)CCOCCF 21f605ef26e643b6ae8cba650c7f6b82 [0,2,0,0,0,0|1,1,0]=4 1411 B8R0.7 NC(=O)CCOCCS 2a5607f5a17aca280aa8d0bbb5f8e88b [0,2,0,0,0,0|1,1,0]=4 1412 B8R0.7 NC(=O)CNCCCCl 1db53d8b6e8ec0b45f5ac5aea65a66af [0,2,0,0,0,0|2,0,0]=4 1413 B8R0.7 NC(=O)CNCCCF b8df96f83ebeea4472e3f0cf574d5c10 [0,2,0,0,0,0|2,0,0]=4 1414 B8R0.7 NC(=O)CNCCCO f7f428c6be3a0f96cc03fd2549aaf101 [0,2,0,0,0,0|2,0,0]=4 1415 B8R0.7 NC(=O)CNCCCS 0cd1ecba18cd09d4875eb7edc039e565 [0,2,0,0,0,0|2,0,0]=4 1416 B8R0.7 NC(=O)COCCCF 4c181403b43bd0150828aba20f5caec7 [0,2,0,0,0,0|2,0,0]=4 1417 B8R0.7 NC(=O)COCCCS 4ccafd8c8a1e89284daea9397b358185 [0,2,0,0,0,0|2,0,0]=4 1418 B8R0.7 NC(=O)NCCOCF 6cf2e6129bf0181d6cd1339653610748 [0,2,0,0,0,0|1,1,0]=4 1419 B8R0.7 O=C(O)CCCNCF 670cea18bd6ba2b81ceecb2577e1a7ab [0,2,0,0,0,0|2,0,0]=4 1420 B8R0.7 O=C(O)CCCNCO 6267c5eeb1933064d917e4e814ad9722 [0,2,0,0,0,0|2,0,0]=4 1421 B8R0.7 O=C(O)CCNCCBr 29cc353153febf3a8c067ebc7d4659a9 [0,2,0,0,0,0|2,0,0]=4 1422 B8R0.7 O=C(O)CCNCCF cb03b3b8d9be6ed00316ec8fa58ea22d [0,2,0,0,0,0|2,0,0]=4 1423 B8R0.7 O=C(O)CCNCCI 1fb0bb507aa993f2a3522c41edc93100 [0,2,0,0,0,0|2,0,0]=4 1424 B8R0.7 O=C(O)CCNCCO 7fda1e67c117139da08349807b03ae85 [0,2,0,0,0,0|2,0,0]=4 1425 B8R0.7 O=C(O)CCNCCS e7b12ac116347e188c56484ce05a8410 [0,2,0,0,0,0|2,0,0]=4 1426 B8R0.7 O=C(O)CCOCCF fcf96ee60132be28c36745264cbf0317 [0,2,0,0,0,0|1,1,0]=4 1427 B8R0.7 O=C(O)CCOCCS 61b8e7b02af12e03f8a3747e8eb16780 [0,2,0,0,0,0|1,1,0]=4 1428 B8R0.7 O=C(O)CNCCCCl 6975978044558bce000c0ca780485b76 [0,2,0,0,0,0|2,0,0]=4 1429 B8R0.7 O=C(O)CNCCCF 69db0caef1002e94499cf44277421fb3 [0,2,0,0,0,0|2,0,0]=4 1430 B8R0.7 O=C(O)CNCCCO 15bb30af3bbf0b9503efbda60ef38d51 [0,2,0,0,0,0|2,0,0]=4 1431 B8R0.7 O=C(O)CNCCCS 69374183d65b27382aaeea8dfc3bb03c [0,2,0,0,0,0|2,0,0]=4 1432 B8R0.7 O=C(O)COCCCF da2984b4de14bdafc90cabbb14713902 [0,2,0,0,0,0|2,0,0]=4 1433 B8R0.7 O=C(O)COCCCS b637a7d4aac2c64b554918898eb44811 [0,2,0,0,0,0|2,0,0]=4 1434 B8R0.7 O=CCNCCC(=O)O 2746d5d7d8507565af45509ba7bc6f1c [0,2,0,0,0,0|2,0,0]=4 1435 B8R0.7 O=CCOCCC(=O)O de14f86217b2e4a0f4d6c6c831b08e2c [0,2,0,0,0,0|1,1,0]=4 1436 B8R0.21 CCCNCS(=O)(=O)C 0c5ac4b5c3470daba42966bdd3f646a9 [0,2,0,0,0,0|2,0,0]=4 1437 B8R0.21 CCCOCS(=O)(=O)C 432b2a9bb367cc63d3832a09eed3d2d9 [0,2,0,0,0,0|2,0,0]=4 1438 B8R0.21 CCNCCS(=O)(=O)C e43bf84c2c33da0607bb89ff5a969bd7 [0,2,0,0,0,0|2,0,0]=4 1439 B8R0.21 CCOCCS(=N)(=O)C 7d172d8392597cc891bea17b5e99219f [0,2,0,0,0,0|1,1,0]=4 1440 B8R0.21 CCOCCS(=O)(=O)C 23fca17b909b52d4a7188ab3cd634626 [0,2,0,0,0,0|1,1,0]=4 1441 B8R0.21 COCOCS(=O)(=O)C 389018c297826ba21bd6fe758e19bb45 [0,2,0,0,0,0|1,1,0]=4 1442 B8R0.21 CS(=N)(=O)CCOCF 8c457fc8f0baebba112372d613dcfe35 [0,2,0,0,0,0|1,1,0]=4 1443 B8R0.21 CS(=O)(=O)CCNCF 6ae65fd43a4a68a0aa9037783641bc08 [0,2,0,0,0,0|2,0,0]=4 1444 B8R0.21 CS(=O)(=O)CCNCO b53310cc6080ccc7285ed5ee3722bc9c [0,2,0,0,0,0|2,0,0]=4 1445 B8R0.21 CS(=O)(=O)CCOCF 1e8fdba2b69376f4ed0acbdaaf760911 [0,2,0,0,0,0|1,1,0]=4 1446 B8R0.21 CSCCNC(C)(C)C 73c3f6545406df670de5f8baeac9e0c3 [0,2,0,0,0,0|1,0,1]=4 1447 B8R0.21 CSCNCC(C)(C)C 9957b5133d348cb505544a33bdacff11 [0,2,0,0,0,0|1,0,1]=4 1448 B8R0.21 CSCNCC(C)(C)O 2958c74c1780f4b78ffaf2dfd4f45e6a [0,2,0,0,0,0|0,0,2]=4 1449 B8R0.21 CSCNCC(C)(F)F 16719129023ae8f7328d89ef02779fb0 [0,2,0,0,0,0|1,0,1]=4 1450 B8R0.21 CSCNCS(=O)(=O)O 62363713e894550100cea6b057608371 [0,2,0,0,0,0|2,0,0]=4 1451 B8R0.21 CSCOCC(C)(C)Br dd6cf3d5d90fba65b6081a6ea347690a [0,2,0,0,0,0|1,0,1]=4 1452 B8R0.21 CSCOCC(C)(C)C f7ac26bc8e0c637cb81c5346ce445a3e [0,2,0,0,0,0|1,0,1]=4 1453 B8R0.21 CSCOCC(C)(C)F de768007140390ebdc9de9d45c75f3db [0,2,0,0,0,0|1,0,1]=4 1454 B8R0.21 CSCOCC(C)(C)S acba3136d2d5a9e375722d36d49cacbc [0,2,0,0,0,0|0,1,1]=4 1455 B8R0.21 CSCOCC(C)(F)F bfb0c657181c110d127e010578345451 [0,2,0,0,0,0|1,0,1]=4 1456 B8R0.28 C=C(Br)CNCC(=O)C 0d597f53ebe2890dfc6a0457f76a5fcb [0,2,0,0,0,0|1,0,1]=4 1457 B8R0.28 C=C(Br)COCC(=O)C 2998d15811d05ee94864f071d160f5f0 [0,2,0,0,0,0|1,0,1]=4 1458 B8R0.28 C=C(C)CCNC(=O)C aad0094172f39db5c54a5f1ed27a8fb8 [0,2,0,0,0,0|1,0,0]=3 1459 B8R0.28 C=C(C)CCNC(C)C 743b41619695d9f1ae0496c6310ea6bc [0,2,0,0,0,0|2,0,0]=4 1460 B8R0.28 C=C(C)CCOC(C)C 69cc10ae5801e38a3d14074626c7f435 [0,2,0,0,0,0|1,1,0]=4 1461 B8R0.28 C=C(C)CNCC(=C)C ce8fef6b96794158a2a7f2c5084df290 [0,2,0,0,0,0|2,0,0]=4 1462 B8R0.28 C=C(C)CNCC(=O)C 78f45c6f7509cf460bc1a071e894d38c [0,2,0,0,0,0|1,0,0]=3 1463 B8R0.28 C=C(C)CNCC(=O)N 8581ddd0da23c9284f8dc88ea47d82e4 [0,2,0,0,0,0|2,0,0]=4 1464 B8R0.28 C=C(C)CNCC(=O)O d2fb071764818c27006da68838bfc61e [0,2,0,0,0,0|2,0,0]=4 1465 B8R0.28 C=C(C)CNCC(C)C 67c871a24d86e1667f16c08c29255d90 [0,2,0,0,0,0|2,0,0]=4 1466 B8R0.28 C=C(C)CNCC(C)O 2b714059ab9907260e6aaccb52d1cb14 [0,2,0,0,0,0|2,0,0]=4 1467 B8R0.28 C=C(C)CNCN(C)C bd8d3ecb05e7272c6d776cc910168f61 [0,2,0,0,0,0|2,0,0]=4 1468 B8R0.28 C=C(C)CNC[C@@H](C)O c594a1781a89398e4ea1a6fed43fc869 [0,2,0,0,0,0|2,0,0]=4 1469 B8R0.28 C=C(C)CNC[C@H](C)O a78b3c91bc5afc2963451088f5a91de2 [0,2,0,0,0,0|2,0,0]=4 1470 B8R0.28 C=C(C)COCC(=C)C 6b2ffa44fb984e41aa9f83d07aa00ce1 [0,2,0,0,0,0|2,0,0]=4 1471 B8R0.28 C=C(C)COCC(=O)C 3742b2df3a9a917d85dc43f50a8243d8 [0,2,0,0,0,0|1,0,0]=3 1472 B8R0.28 C=C(C)COCC(=O)N 2e0576688aeeb2ae46f807ab3429eaee [0,2,0,0,0,0|2,0,0]=4 1473 B8R0.28 C=C(C)COCC(=O)O 832789ca495f30d4ff4e6ddd8693aa4b [0,2,0,0,0,0|2,0,0]=4 1474 B8R0.28 C=C(C)COCC(C)C 4b7379c6d79f87e4ea0cd366985a2d99 [0,2,0,0,0,0|2,0,0]=4 1475 B8R0.28 C=C(C)COCC(C)F a795756f8a49e558cd74e3b29b74a2d5 [0,2,0,0,0,0|2,0,0]=4 1476 B8R0.28 C=C(C)COCC(C)S 662040e79d7dc5c45fcfe22fcc5b8e8f [0,2,0,0,0,0|2,0,0]=4 1477 B8R0.28 C=C(C)COCN(C)C d03b32e0b707db0af4f8cc8a5d86f7bf [0,2,0,0,0,0|2,0,0]=4 1478 B8R0.28 C=C(C)COC[C@@H](C)F fa9677698904873ff03c9c575f62d5d5 [0,2,0,0,0,0|2,0,0]=4 1479 B8R0.28 C=C(C)COC[C@H](C)F 15d5f151204078319cecfaf717305158 [0,2,0,0,0,0|2,0,0]=4 1480 B8R0.28 C=C(Cl)CNCC(=O)C 6407914012707c1ab5fd2c79654fa535 [0,2,0,0,0,0|1,0,1]=4 1481 B8R0.28 C=C(Cl)COCC(=O)C ad4435b5d09240ae6535f809383ea097 [0,2,0,0,0,0|1,0,1]=4 1482 B8R0.28 C=C(F)CNCC(=O)C 472ef255a1d32a88dcdb7879c6c91d0d [0,2,0,0,0,0|1,0,1]=4 1483 B8R0.28 C=C(F)COCC(=O)C 3b49497466c0b1ff9d1a27fea6f908e8 [0,2,0,0,0,0|1,0,1]=4 1484 B8R0.28 CC(=O)CCOC(C)C aa63e522dd0ebf165c9748d141547c49 [0,2,0,0,0,0|0,1,0]=3 1485 B8R0.28 CC(=O)CNCC(=O)N bbda1f980dd395779fd519fc93ff8e42 [0,2,0,0,0,0|2,0,0]=4 1486 B8R0.28 CC(=O)CNCC(=O)O 3b62ba43bac1c68066fe81a9d9795c10 [0,2,0,0,0,0|2,0,0]=4 1487 B8R0.28 CC(=O)CNCC(C)C 58247fbcbea9991e7cd9ed1b77ee7a40 [0,2,0,0,0,0|1,0,0]=3 1488 B8R0.28 CC(=O)CNCC(C)O 5f353bb8460ab4b4998d7b1c0d718029 [0,2,0,0,0,0|1,0,0]=3 1489 B8R0.28 CC(=O)CNCC(F)F 040d59234b7876c01745adf80e5ff725 [0,2,0,0,0,0|2,0,0]=4 1490 B8R0.28 CC(=O)CNCN(C)C ec5ebd7a403a45eadc9cad461d333fc2 [0,2,0,0,0,0|1,0,0]=3 1491 B8R0.28 CC(=O)CNC[C@@H](C)O 289cb2833e34a4679529caaeb671569a [0,2,0,0,0,0|1,0,0]=3 1492 B8R0.28 CC(=O)CNC[C@H](C)O 8f9759e3f6a23502911152a314ede481 [0,2,0,0,0,0|1,0,0]=3 1493 B8R0.28 CC(=O)CNC[N+](=O)[O-] 7a3a82e3de6714645b5bb71bc9461698 [0,2,0,0,0,0|2,0,0]=4 1494 B8R0.28 CC(=O)COCC(=O)N 7a09bf9a262295e1e2b0e443dba0be09 [0,2,0,0,0,0|2,0,0]=4 1495 B8R0.28 CC(=O)COCC(=O)O f81228ab107345361ebd98034538304d [0,2,0,0,0,0|2,0,0]=4 1496 B8R0.28 CC(=O)COCC(C)C 63d13f7ca3ddeaa73dc93b4258f7679e [0,2,0,0,0,0|1,0,0]=3 1497 B8R0.28 CC(=O)COCC(F)F 1c8a3357ef90b18ca0f3f98579cdfed3 [0,2,0,0,0,0|2,0,0]=4 1498 B8R0.28 CC(=O)COCN(C)C 0fabcf829b746355f1de3762558cb13f [0,2,0,0,0,0|1,0,0]=3 1499 B8R0.28 CC(=O)COC[N+](=O)[O-] 11dd7b7f3de37b7e5c4abf1dcb73583f [0,2,0,0,0,0|2,0,0]=4 1500 B8R0.28 CC(=O)NCC=C(C)C 7c7868b44759d01e31a9aacecfcd8b3c [0,2,0,0,0,0|1,0,1]=4 1501 B8R0.28 CC(=O)NCCC(=O)N 827b1ffc457a73bdad9dad1a9ea1d8a3 [0,2,0,0,0,0|2,0,0]=4 1502 B8R0.28 CC(=O)NCCC(=S)N 80570d0c786305766e6afa5b1bb610c3 [0,2,0,0,0,0|2,0,0]=4 1503 B8R0.28 CC(=O)NCCC(C)C b73f1b13554baa3e34a3560715777fc7 [0,2,0,0,0,0|1,0,0]=3 1504 B8R0.28 CC(=O)NCCC(C)O 9f83d99fdee0bda30ff85f31b4ee4b24 [0,2,0,0,0,0|1,0,0]=3 1505 B8R0.28 CC(=O)NCCC(F)F 4173536c2fddb4363b9de4250b8bab34 [0,2,0,0,0,0|2,0,0]=4 1506 B8R0.28 CC(=O)NCCN(C)C 4d10f56d353a729da2aad8b96e7ef495 [0,2,0,0,0,0|1,0,0]=3 1507 B8R0.28 CC(=O)NCCS(=O)C f793348c68f8cf140d26df72f9958533 [0,2,0,0,0,0|0,0,1]=3 1508 B8R0.28 CC(=O)NCCS(=O)O 7023ecca400195c2464a327147893c5f [0,2,0,0,0,0|1,0,1]=4 1509 B8R0.28 CC(=O)NCC[C@@H](C)O 40ba395f3243b6aab3575e45be2f2594 [0,2,0,0,0,0|1,0,0]=3 1510 B8R0.28 CC(=O)NCC[C@H](C)O ac547764dcce609b723a03cd4268cf9c [0,2,0,0,0,0|1,0,0]=3 1511 B8R0.28 CC(=O)NCOC(C)C 05afe8e43df805f9cf6a2136caacdf0b [0,2,0,0,0,0|1,1,0]=4 1512 B8R0.28 CC(=O)OCOC(C)C b15362469d0253806d0b351da68c3f40 [0,2,0,0,0,0|1,1,0]=4 1513 B8R0.28 CC(C)CNCC(=O)N 387d837e6273849b1cdad6a6a721ebd2 [0,2,0,0,0,0|2,0,0]=4 1514 B8R0.28 CC(C)CNCC(=O)O e07c47544f784e3ece77975eaa39fa62 [0,2,0,0,0,0|2,0,0]=4 1515 B8R0.28 CC(C)COCC(=O)N 80d16d817ce82c87fac95f334c2d23e2 [0,2,0,0,0,0|2,0,0]=4 1516 B8R0.28 CC(C)COCC(=O)O 569b76ca429bc6806415c3ae92c5e81d [0,2,0,0,0,0|2,0,0]=4 1517 B8R0.28 CC(C)NCCC(=O)N 69c941b0389a0756f6e4daf4a9ab0a1c [0,2,0,0,0,0|2,0,0]=4 1518 B8R0.28 CC(C)NCCC(=O)O f0554134cac289d8b7cbdbda8f5830d8 [0,2,0,0,0,0|2,0,0]=4 1519 B8R0.28 CC(C)NCCS(=O)C 98cd73f96f71cf5f44c565cd7f7e7b57 [0,2,0,0,0,0|2,0,0]=4 1520 B8R0.28 CC(C)OCCC(=O)N 4ee5da2191d5f265d860cb9cfbdd86d0 [0,2,0,0,0,0|1,1,0]=4 1521 B8R0.28 CC(C)OCCC(=O)O a2f1c0df938b61e89340f22784f5d552 [0,2,0,0,0,0|1,1,0]=4 1522 B8R0.28 CC(C)OCCS(=O)C 9f44a2155f1463de437cc5b5f1a51c9f [0,2,0,0,0,0|1,1,0]=4 1523 B8R0.28 CC(F)COCC(=O)N e9a9dcc4f520190840a7681321655420 [0,2,0,0,0,0|2,0,0]=4 1524 B8R0.28 CC(F)COCC(=O)O 5825b41f210e11c756bbcfb99cc1b006 [0,2,0,0,0,0|2,0,0]=4 1525 B8R0.28 CC(O)CNCC(=O)N 3341accee510efc87cc2f7b3f340be25 [0,2,0,0,0,0|2,0,0]=4 1526 B8R0.28 CC(O)CNCC(=O)O 0fd36ebbcdac4288c2c1e57036c66736 [0,2,0,0,0,0|2,0,0]=4 1527 B8R0.28 CC(S)COCC(=O)N 82763365c9d88e903f647e90bafc9568 [0,2,0,0,0,0|2,0,0]=4 1528 B8R0.28 CC(S)COCC(=O)O 572404985c8dcbb1715d2ff9748114ee [0,2,0,0,0,0|2,0,0]=4 1529 B8R0.28 CN(C)CNCC(=O)N 61dc06082070ca26d637fe3f6c04d6ee [0,2,0,0,0,0|2,0,0]=4 1530 B8R0.28 CN(C)CNCC(=O)O e6fa8314318b79cfd8ae4ca00ea3b758 [0,2,0,0,0,0|2,0,0]=4 1531 B8R0.28 CN(C)COCC(=O)N 419913c96364efa4322cd65a17692db0 [0,2,0,0,0,0|2,0,0]=4 1532 B8R0.28 CN(C)COCC(=O)O fc3ba42b9747b2743ad7eda51803bfcf [0,2,0,0,0,0|2,0,0]=4 1533 B8R0.28 C[C@@H](F)COCC(=O)N 26ec5b6c1520beb81cb66bb9beb36fee [0,2,0,0,0,0|2,0,0]=4 1534 B8R0.28 C[C@@H](F)COCC(=O)O d9eb7ecba762e434dc71a2e535d45ab3 [0,2,0,0,0,0|2,0,0]=4 1535 B8R0.28 C[C@@H](O)CNCC(=O)N f96380b9f6a9b4fe64a1f461f7c8c0ef [0,2,0,0,0,0|2,0,0]=4 1536 B8R0.28 C[C@@H](O)CNCC(=O)O 6173ec4fb928b6f3ec52f242f1027a0f [0,2,0,0,0,0|2,0,0]=4 1537 B8R0.28 C[C@H](F)COCC(=O)N 7c480ef07c1a9a0730d837d631e998ff [0,2,0,0,0,0|2,0,0]=4 1538 B8R0.28 C[C@H](F)COCC(=O)O 5eaade2b5a7f385567c5eb3b69b32ab7 [0,2,0,0,0,0|2,0,0]=4 1539 B8R0.28 C[C@H](O)CNCC(=O)N dab4e7fe2a5d0d056345029620f69bd6 [0,2,0,0,0,0|2,0,0]=4 1540 B8R0.28 C[C@H](O)CNCC(=O)O 369122c3216fc4d9a4a5ea858770fa62 [0,2,0,0,0,0|2,0,0]=4 1541 B8R0.12 CCNC(C)(C)C(=O)C cc6332268668580c950a0bb19a912075 [0,2,0,0,0,0|2,0,0]=4 1542 B8R0.15 CCCN(CC)C(=O)C aaa318fb9f18848accdb9fbfd1cf28a8 [0,2,0,0,0,0|2,0,0]=4 1543 B8R0.29 CC(=O)NCC(C)(C)C 9462e7ac263ac589a01977b5f7e527a7 [0,2,0,0,0,0|2,0,0]=4 1544 B8R0.29 CC(=O)NCC(C)(C)O ac59c5875c8df765f15b4c858063fbc9 [0,2,0,0,0,0|2,0,0]=4 1545 B8R0.29 CC(=O)NCC(C)(F)F 85b59edaed57293b7ea10c77927ba201 [0,2,0,0,0,0|2,0,0]=4 1546 B6R1.6 O=CN1CCC1 68439d1e88ecdc5685aec9c6c23ee2b6 [1,0,0,1,0,0|2,0,0]=4 1547 B8R1.1 CC1CCN(C1)C=O 802232b85eec3baa7ee60be5f84b67b5 [0,1,0,1,0,0|2,0,0]=4 1548 B8R1.1 CCN1CNC(=O)C1 58009d6dfded7497e427ac45a5ff5413 [0,1,0,1,0,0|2,0,0]=4 1549 B8R1.1 CN1CCN(C1)C=O 8b7db25ff5974733ece4d3fc3a4817d7 [0,1,0,1,0,0|2,0,0]=4 1550 B8R1.1 O=C1CN(CN1)CF f13f56dc757cd85272f424d9ac53fbce [0,1,0,1,0,0|2,0,0]=4 1551 B8R1.1 O=C1CN(CN1)CO e561a9f6a1ffe109b2b8eed70763223f [0,1,0,1,0,0|2,0,0]=4 1552 B8R1.20 CC(=O)NC1CC1C 1768a28e3842ccc949f84e026e8d58f3 [0,1,0,1,0,0|1,0,0]=3 1553 B8R1.20 CC(=O)N[C@@H]1C[C@H]1F bc7a6eb1a99ce556c18fcaf7f0c75c37 [0,1,0,1,0,0|2,0,0]=4 1554 B8R1.20 CC(=O)N[C@H]1C[C@@H]1F 576115c90eccc628d4e941f7a7852f6c [0,1,0,1,0,0|2,0,0]=4 1555 B8R1.20 CC(=O)N[C@H]1C[C@H]1F 8cb83b6d110bbd78098fefdd41f3f45a [0,1,0,1,0,0|2,0,0]=4 1556 B8R1.34 C=C(C)CN1CCC1 19d6aea172318893485802428f6f2b52 [0,1,0,1,0,0|2,0,0]=4 1557 B8R1.34 CC(=O)NC1CCC1 46894fd3aa8761205eba8795d61a04cf [0,1,0,1,0,0|1,0,0]=3 1558 B8R1.34 CC(=O)NC1COC1 434b9f924b049f8d9fb83819938927c2 [0,1,0,1,0,0|0,1,0]=3 1559 B8R1.34 CC(C)OC1CSC1 0f80c8ae8ac6e64e127bfe2c23fbf2f7 [0,1,0,1,0,0|1,0,1]=4 1560 B8R1.34 NC(=O)CN1CCC1 6c3508be38699fc0f43e1dd694ce2a15 [0,1,0,1,0,0|2,0,0]=4 1561 B8R1.34 O=C(O)CN1CCC1 ae8e836e7c2a4bf3a61b53e9068f6f2f [0,1,0,1,0,0|2,0,0]=4 1562 B8R1.40 CCC(=O)NC1CC1 bc1edd04b4e58cbfa3a5f5c726ebfe6b [0,1,0,1,0,0|2,0,0]=4 1563 B8R1.40 CN(C=O)CC1CC1 3ebaae3355b02d7a76d4d660673266ff [0,1,0,1,0,0|2,0,0]=4 1564 B8R1.40 O=C(CF)NC1CC1 9ccf83dad7006c7283aead2cfdfd9cfa [0,1,0,1,0,0|2,0,0]=4 1565 B8R1.40 O=C(CO)NC1CC1 bb096758b55cfb0505bd2d10961bc923 [0,1,0,1,0,0|2,0,0]=4 1566 B8R1.40 O=C(CS)NC1CC1 47ed3dec057db245af795d634c1f00f4 [0,1,0,1,0,0|2,0,0]=4 1567 B8R1.2 CCN1CCSCC1 1b9658d9d2dd04d5c3441497757b0605 [0,1,0,1,0,0|2,0,0]=4 1568 B8R1.2 FCN1CCSCC1 3fd57c8b0b453362bf0663a583869566 [0,1,0,1,0,0|2,0,0]=4 1569 B8R1.2 O=CN1CCOCC1 477872453b181b061009dc05da1525e4 [0,1,0,1,0,0|1,1,0]=4 1570 B8R1.2 O=CN1CCSCC1 ef4056096863dc4bdb0fd1df8e6f14a0 [0,1,0,1,0,0|1,0,0]=3 1571 B8R1.2 OCN1CCSCC1 4d391d2b8bcebf873f589c97ea63c0e7 [0,1,0,1,0,0|1,0,1]=4 1572 B8R1.9 C=C1CC1COCC e60a01e41c746d08a053302fe8867db6 [0,1,0,1,0,0|1,1,0]=4 1573 B8R1.9 C=C1CC1COCF 2ec32cf386c3f6aa6cd63403e7b0f2a1 [0,1,0,1,0,0|1,1,0]=4 1574 B8R1.9 CSCNC1CC1C e4fd3f89886322c39de9fa962cb3d0cb [0,1,0,1,0,0|1,0,1]=4 1575 B8R1.9 CSCN[C@@H]1C[C@H]1F 91b7b35ad04803309a91dafcb82ce8cb [0,1,0,1,0,0|1,0,1]=4 1576 B8R1.9 CSCN[C@H]1C[C@@H]1F df5673e2b6cdf29d2dc7fcc660d6debd [0,1,0,1,0,0|1,0,1]=4 1577 B8R1.9 CSCN[C@H]1C[C@H]1F 2aa88f56e487ff9ed3d9c7df5a721b8c [0,1,0,1,0,0|1,0,1]=4 1578 B8R1.10 CSCCN1CCC1 9792545c82f20ff9437db0c960cae46b [0,1,0,1,0,0|2,0,0]=4 1579 B8R1.13 CCN[C@H]1CNC1=O f3f57bd052f649487c4a2d7e92b0d01a [0,1,0,1,0,0|2,0,0]=4 1580 B8R1.13 CCOC1CCC1=O 3dbc6f04881f51171a4de09e2024a401 [0,1,0,1,0,0|2,0,0]=4 1581 B8R1.38 CCC(=O)N1CCC1 d52503cf4cfc194127f664b5bcf57565 [0,1,0,1,0,0|2,0,0]=4 1582 B8R1.38 CN(C=O)C1COC1 7c9579a57c4ff25a2f8e7414113d1969 [0,1,0,1,0,0|1,1,0]=4 1583 B8R1.38 O=C(CF)N1CCC1 e1631cac567168a725b0163e106fbfc3 [0,1,0,1,0,0|2,0,0]=4 1584 B8R1.38 O=C(CO)N1CCC1 14506b695520a8256189bb97564c8706 [0,1,0,1,0,0|2,0,0]=4 1585 B8R1.38 O=C(CS)N1CCC1 483ef26b984ed24bd38f07147cc524a3 [0,1,0,1,0,0|2,0,0]=4 1586 B8R1.47 CCC1CN(C1)C=O 9645ce44596bcd4aa700308ce0a15fd2 [0,1,0,1,0,0|2,0,0]=4 1587 B8R1.47 CCN1CC(C1)SC 8746f03668c7e744efe9613af29b4486 [0,1,0,1,0,0|2,0,0]=4 1588 B8R1.47 COC1CN(C1)C=O 6ae02e7371cb34231d2c8b7c1761233f [0,1,0,1,0,0|1,1,0]=4 1589 B8R1.47 CSC1CN(C1)C=O 3e599a49c3beebe60d5d28a097e005b4 [0,1,0,1,0,0|1,0,0]=3 1590 B8R1.47 CSC1CN(C1)CF 3808995cd42a6875ed2d66d523d22694 [0,1,0,1,0,0|2,0,0]=4 1591 B8R1.47 CSC1CN(C1)CO b0c032e9b228ef64abf41d3555db6ca0 [0,1,0,1,0,0|1,0,1]=4 1592 B8R1.6 CCOC1CC(=O)C1 7245371a51b98874574252c09e474e49 [0,1,0,1,0,0|0,1,0]=3 1593 B8R1.6 CSCN1CC(C1)F b043fd0ffd5d2de919a889b45a0538d3 [0,1,0,1,0,0|1,0,1]=4 1594 B8R1.6 CSCN1CC(C1)O 34910bc94db571d51ff7a8f74ad40fc5 [0,1,0,1,0,0|0,0,2]=4 1595 B8R1.6 O=C1CC(C1)OCF c33823c82929be54a27457e340273af2 [0,1,0,1,0,0|0,1,0]=3 1596 B8R1.7 CC(=O)N1CC=CC1 e11b9582e24204de984b55633fe5316e [0,1,0,1,0,0|1,0,1]=4 1597 B8R1.7 CC(=O)N1CCSC1 df98add89dd15161c9f678ec3ecd18ec [0,1,0,1,0,0|0,0,0]=2 1598 B8R1.7 CC(C)N1CCSC1 cebe0382fd0e631f0755ac4b0a7eacba [0,1,0,1,0,0|1,0,1]=4 1599 B8R1.27 CSCN1CC1(C)C 57f03b2466c1e0327e92c39a36035676 [0,1,0,1,0,0|1,0,1]=4 1600 B8R1.35 C=C(C)CNC1CC1 d7b88e809441d579b0399cecfd2ac93a [0,1,0,1,0,0|2,0,0]=4 1601 B8R1.35 C=C(C)COC1CC1 63ffc7725ab16da355947b48ca968597 [0,1,0,1,0,0|2,0,0]=4 1602 B8R1.35 CC(=O)CNC1CC1 bc0778517edf8997c2cb438d2c68c0b3 [0,1,0,1,0,0|1,0,0]=3 1603 B8R1.35 CC(=O)COC1CC1 609f3b6a39f515f0075f8f8591a3a733 [0,1,0,1,0,0|1,0,0]=3 1604 B8R1.35 CC(=O)NCC1CC1 a9186e5a31a6f613e1b56d3a88df1d54 [0,1,0,1,0,0|1,0,0]=3 1605 B8R1.35 NC(=O)CNC1CC1 a00288a750d00bc42baa6fd0a0cd1bb6 [0,1,0,1,0,0|2,0,0]=4 1606 B8R1.35 NC(=O)COC1CC1 d832967b8065c8155f8f7bfb171fc20f [0,1,0,1,0,0|2,0,0]=4 1607 B8R1.35 O=C(O)CNC1CC1 b2ef6ef58e3db3eafb40e50595acdfb4 [0,1,0,1,0,0|2,0,0]=4 1608 B8R1.35 O=C(O)COC1CC1 7246c239d90b158329e958bbc0895f52 [0,1,0,1,0,0|2,0,0]=4 1609 B8R1.36 CSCCNC1CC1 15d6cc02cb27e4637b8a7b18bce36a80 [0,1,0,1,0,0|1,0,1]=4 1610 B8R1.36 CSCCOC1CC1 e0981e8f108a928e73043af2d2e56c46 [0,1,0,1,0,0|1,0,1]=4 1611 B8R1.36 CSCNCC1CC1 e820dcd23892d88756ec200e8c7e2a66 [0,1,0,1,0,0|1,0,1]=4 1612 B8R1.36 CSCOCC1CC1 3d32bb66f1695fc62d4bc9b15027217a [0,1,0,1,0,0|1,0,1]=4 1613 B8R1.23 CC(=O)N1CC(C1)F cba0abc01d5766c34fe5531513946933 [0,1,0,1,0,0|2,0,0]=4 1614 B8R1.23 CC(=O)N1CC(C1)O 77ab01a2253fd049b876c0a3e724463e [0,1,0,1,0,0|2,0,0]=4 1615 B8R1.54 CC(=O)N(C)C1CC1 61fc6600543372561e48e4dacdc6032f [0,1,0,1,0,0|2,0,0]=4 1616 B8R1.77 CC(=O)N1CC1(C)C 590117534e705036bf11af3121bac41b [0,1,0,1,0,0|2,0,0]=4