0 B10R1.11 CC(NCF)c1ccco1 ec50ac5ee30b386ceb27d74b468f7bbf [0,0,0,0,0,0|3,0,1]=4 1 B10R1.11 CC(NCO)c1ccco1 4881715caf8fce76fe938600d1a6b5e2 [0,0,0,0,0,0|3,0,1]=4 2 B10R1.11 CC(OCF)c1ccco1 0dc071426fbde92893ac6d911f8258f3 [0,0,0,0,0,0|3,0,1]=4 3 B10R1.11 CCCC(=O)N1CC=CC1 bb898560fa964db98f98cd376b86f0ce [0,0,0,0,0,0|2,0,1]=3 4 B10R1.11 CCCN(C)c1cc[nH]n1 2fb3ce9b24cce7acbd967938c9c2d1d5 [0,0,0,0,0,0|4,0,0]=4 5 B10R1.11 CCCN(C)c1ccon1 0971359ea82605c485655f00a47dbd53 [0,0,0,0,0,0|4,0,0]=4 6 B10R1.11 CCCN(C)c1ccsc1 315e4246bc52e5130768b99269930453 [0,0,0,0,0,0|4,0,0]=4 7 B10R1.11 CCCN(C)c1ncc[nH]1 e8c84813b2c4ad6337b4c1a2ba6be433 [0,0,0,0,0,0|4,0,0]=4 8 B10R1.11 CCCN(C)c1ncco1 27c97316d262b6ffcd37b67051233e1e [0,0,0,0,0,0|3,0,0]=3 9 B10R1.11 CCCN(C)c1nccs1 8ff271e49b43b3c788542031f83d211b [0,0,0,0,0,0|3,1,0]=4 10 B10R1.11 CCNC(C)c1ccco1 ee141e1d5a490da9995e04ce24e590f9 [0,0,0,0,0,0|2,0,1]=3 11 B10R1.11 CCNC(C)c1cccs1 d217c6227164550e2cf27839f17d7b0d [0,0,0,0,0,0|2,1,1]=4 12 B10R1.11 CCNC(C)c1ncco1 c4d00da9a44dea11f4b3af43c48c7394 [0,0,0,0,0,0|3,0,1]=4 13 B10R1.11 CCN[C@@H](C)c1cccs1 643308288281e4a79a1aad46b2b514f3 [0,0,0,0,0,0|2,1,1]=4 14 B10R1.11 CCN[C@H](C)c1ccco1 28eb0d4eaae628536a1bf1f770a877ab [0,0,0,0,0,0|2,0,1]=3 15 B10R1.11 CCN[C@H](C)c1cccs1 1ca8e8649158371392ad7c6e6ba6e0fd [0,0,0,0,0,0|2,1,1]=4 16 B10R1.11 CCOC(C)c1ccco1 3bd2b9ad01c83442911e7c1be5d2164d [0,0,0,0,0,0|2,0,1]=3 17 B10R1.11 CCOC(C)c1cccs1 bdf7829759511c8c50ea2c2aa36d0560 [0,0,0,0,0,0|2,1,1]=4 18 B10R1.11 CCOC(C)c1ncco1 7cec3e492c517a86e7c86f971db66cb7 [0,0,0,0,0,0|3,0,1]=4 19 B10R1.11 CCO[C@@H](C)c1cccs1 83b5158aea0e4d918b99a57a2b105a52 [0,0,0,0,0,0|2,1,1]=4 20 B10R1.11 CCO[C@H](C)c1ccco1 3c8ceb0e1dd139cd9173630218700cc9 [0,0,0,0,0,0|2,0,1]=3 21 B10R1.11 CCO[C@H](C)c1cccs1 9c5599ca0a5afb0124dc5c8f4336622b [0,0,0,0,0,0|2,1,1]=4 22 B10R1.11 CN(CCF)c1ncco1 f62dd8d1be9a698e2e8ac19b6c305a75 [0,0,0,0,0,0|4,0,0]=4 23 B10R1.11 CN(CCO)c1ncco1 8a1cfd74f3a8a3560a3a2657200adf4d [0,0,0,0,0,0|4,0,0]=4 24 B10R1.11 CN(CCS)c1ncco1 141bb0b09527fb28922b6ad0ce997567 [0,0,0,0,0,0|4,0,0]=4 25 B10R1.11 COCC(=O)N1CC=CC1 b11bedc9dadc4c82e42a4f7eff848e0d [0,0,0,0,0,0|3,0,1]=4 26 B10R1.11 COCN(C)c1ncco1 fd4e73b073e55a294bac171ebf3cb532 [0,0,0,0,0,0|4,0,0]=4 27 B10R1.11 CSCC(=O)N1CC=CC1 e0240e4b45b1caa7e6aaa192e212e868 [0,0,0,0,0,0|3,0,1]=4 28 B10R1.11 CSCN(C)c1ncco1 35af9b657fe866d2fb676c6afebe416e [0,0,0,0,0,0|4,0,0]=4 29 B10R1.11 C[C@@H](NCF)c1ccco1 e5e97902e40ec0578a768aa3c7b12fce [0,0,0,0,0,0|3,0,1]=4 30 B10R1.11 C[C@@H](NCO)c1ccco1 d0b88fd7c99a35596cab0a6a81704914 [0,0,0,0,0,0|3,0,1]=4 31 B10R1.11 C[C@@H](OCF)c1ccco1 b3b578f71aae2bbabe04fd12d3be7051 [0,0,0,0,0,0|3,0,1]=4 32 B10R1.11 N#CNC(=O)c1ccco1 1adef430898af33746a6c9ec84528171 [0,0,0,0,0,0|2,0,1]=3 33 B10R1.11 N#CNC(=O)c1cccs1 095e1c1f89cfea00e92ac1d8c8d62e1e [0,0,0,0,0,0|2,1,1]=4 34 B10R1.11 N#CNC(=O)c1ccno1 fc6e857285727ff26ef42788fd85d724 [0,0,0,0,0,0|3,0,1]=4 35 B10R1.11 N#CNC(=O)c1cnco1 d28705b4d54e683c655c7c26497671ce [0,0,0,0,0,0|3,0,1]=4 36 B10R1.11 N#CNC(=O)c1ncco1 cad6eda580411d5fa5ee0424dceda23d [0,0,0,0,0,0|3,0,1]=4 37 B10R1.11 O=C(CCF)N1CC=CC1 853e2f7b038f6057656dc7bd73b26600 [0,0,0,0,0,0|3,0,1]=4 38 B10R1.11 O=C(CCO)N1CC=CC1 45babc7bfc0207fe12404426c279dad1 [0,0,0,0,0,0|3,0,1]=4 39 B10R1.11 O=C(CCS)N1CC=CC1 c1816f48ff5adcbdc7fa23ea8d7df47d [0,0,0,0,0,0|3,0,1]=4 40 B9R1.11 CCC(=O)N1CC=CC1 8fcb7348add64c7e1ee81d8cebba28fe [1,0,0,0,0,0|2,0,1]=4 41 B9R1.11 CCN(C)c1ncco1 e68e12067f5d470a1f9ce47452eec061 [1,0,0,0,0,0|3,0,0]=4 42 B9R1.12 BrCCNc1cccs1 c09b0f0dcebf0fcb791d9c0fae97e4ed [1,0,0,0,0,0|2,1,0]=4 43 B9R1.12 BrCCNc1ncco1 f10d61cafefa6d09112d0af6ba2627e7 [1,0,0,0,0,0|3,0,0]=4 44 B9R1.12 C#CCOc1ccco1 7e47d125415ac439f66b46471e484dda [1,0,0,0,0,0|1,0,2]=4 45 B9R1.12 C=CCOc1ccco1 718f2f5554bee89c19d4febc6556b9e4 [1,0,0,0,0,0|1,0,2]=4 46 B9R1.12 CCCNc1c[nH]cn1 6b63b2271006eeda903e175a88c0546a [1,0,0,0,0,0|3,0,0]=4 47 B9R1.12 CCCNc1cc[nH]n1 970996a901dc2871e25e1b3f58bb1ae9 [1,0,0,0,0,0|3,0,0]=4 48 B9R1.12 CCCNc1cccs1 dddbeb0cebfad93e2ee450a927f1f846 [1,0,0,0,0,0|1,1,0]=3 49 B9R1.12 CCCNc1ccno1 278a41485c96cdfca06fb5ac2f62c14e [1,0,0,0,0,0|2,0,0]=3 50 B9R1.12 CCCNc1ccns1 4c2c426bd7131ff8d2911cd5cad3e478 [1,0,0,0,0,0|2,1,0]=4 51 B9R1.12 CCCNc1ccoc1 cc4f6f51569c182aca4da58e5f019c78 [1,0,0,0,0,0|3,0,0]=4 52 B9R1.12 CCCNc1ccon1 67d2486210e5c6b1db57939f48d96b10 [1,0,0,0,0,0|3,0,0]=4 53 B9R1.12 CCCNc1ccsc1 a70237f11ed81d43b5ff787e5b6c83f9 [1,0,0,0,0,0|3,0,0]=4 54 B9R1.12 CCCNc1cncs1 d9981c3c4bf58afdd44af083430ae37f [1,0,0,0,0,0|2,1,0]=4 55 B9R1.12 CCCNc1cocn1 ba2d440733fea026f6967dab40049325 [1,0,0,0,0,0|3,0,0]=4 56 B9R1.12 CCCNc1cscn1 fae4b904f23fb93e2e56928f5d9cc6d4 [1,0,0,0,0,0|3,0,0]=4 57 B9R1.12 CCCNc1ncc[nH]1 8f0b11e739cdbcc3c6e78e115ed494fe [1,0,0,0,0,0|3,0,0]=4 58 B9R1.12 CCCNc1ncco1 d0c0e653694791440ac2f0d78edc0e34 [1,0,0,0,0,0|2,0,0]=3 59 B9R1.12 CCCNc1nccs1 26bd7c90c10f9395c78eb9fc2d80649e [1,0,0,0,0,0|2,1,0]=4 60 B9R1.12 CCCNc1nnco1 532ce1f06de3f33d65f358440d1dd157 [1,0,0,0,0,0|3,0,0]=4 61 B9R1.12 CCCOc1c[nH]cn1 45a2af4246e68dfa1ee3afde5dc82ddf [1,0,0,0,0,0|3,0,0]=4 62 B9R1.12 CCCOc1ccco1 892ad9a1c4eda1b2e579e57ab16386c6 [1,0,0,0,0,0|1,0,0]=2 63 B9R1.12 CCCOc1cccs1 08634ab81341ae1b1178430949f9ac0f [1,0,0,0,0,0|1,1,0]=3 64 B9R1.12 CCCOc1ccn[nH]1 a3b9c72eb0c803665c4c2723cda3dad1 [1,0,0,0,0,0|3,0,0]=4 65 B9R1.12 CCCOc1ccsc1 09284982954b71ce4e3ef57411744ecc [1,0,0,0,0,0|3,0,0]=4 66 B9R1.12 CCCOc1nccs1 5f60e0b45753d03ef3faa171be938859 [1,0,0,0,0,0|2,1,0]=4 67 B9R1.12 CCCOn1cccn1 2e48792a1b51d3b1159f5dd703032bb5 [1,0,0,0,0,0|3,0,0]=4 68 B9R1.12 CCNCc1ccc[nH]1 d148947c496d04ba3fda3d28b4738aad [1,0,0,0,0,0|2,0,1]=4 69 B9R1.12 CCNCc1ccco1 4817cc97570de733e3d59f88500c3b37 [1,0,0,0,0,0|1,0,1]=3 70 B9R1.12 CCNCc1cccs1 4bb993aa1ef7b62c5d2b7781bf586f7d [1,0,0,0,0,0|1,1,1]=4 71 B9R1.12 CCNCc1ccno1 e3d071a4a6a6b5a56e413f5bc114cce7 [1,0,0,0,0,0|2,0,1]=4 72 B9R1.12 CCNCc1cnco1 1035caf61cdb047204144eeeaf71318d [1,0,0,0,0,0|2,0,1]=4 73 B9R1.12 CCNCc1ncco1 d59ea2eedd26cb1a330141171d90cbfb [1,0,0,0,0,0|2,0,1]=4 74 B9R1.12 CCOCc1ccc[nH]1 0b5c52ca398d6e6823ab9d1f4fb92621 [1,0,0,0,0,0|2,0,1]=4 75 B9R1.12 CCOCc1ccco1 e774f039f2ee21ec2e9d047bdeb979aa [1,0,0,0,0,0|1,0,1]=3 76 B9R1.12 CCOCc1cccs1 8766881c6db57c6784fc6c93385667d4 [1,0,0,0,0,0|1,1,1]=4 77 B9R1.12 CCOCc1ccno1 68fd73c165a46ff5a6360ea6e6f9c37e [1,0,0,0,0,0|2,0,1]=4 78 B9R1.12 CCOCc1cnco1 682660b9b5fafc169b6b4f8ad83fea44 [1,0,0,0,0,0|2,0,1]=4 79 B9R1.12 CCOCc1ncco1 7b912d50833e4919d9e0630ebdd06bd0 [1,0,0,0,0,0|2,0,1]=4 80 B9R1.12 COCNc1cccs1 a445fc20137d5de04e37049f9b7acf2c [1,0,0,0,0,0|2,1,0]=4 81 B9R1.12 COCNc1ccno1 d755508b800677986f100d0e5f1274a2 [1,0,0,0,0,0|3,0,0]=4 82 B9R1.12 COCNc1ncco1 ef48d84ae70ad4ac2e098cff7a885ffc [1,0,0,0,0,0|3,0,0]=4 83 B9R1.12 COCOc1ccco1 e04897991e5b5a23be25371e2fdd1455 [1,0,0,0,0,0|2,0,0]=3 84 B9R1.12 COCOc1cccs1 f7e2b3cd366d3a572662b6a110d9cdff [1,0,0,0,0,0|2,1,0]=4 85 B9R1.12 CSCNc1cccs1 9666dae99bc2c28068bd9eb8da246d16 [1,0,0,0,0,0|2,1,0]=4 86 B9R1.12 CSCNc1ccno1 9cb31c8b969f0e8254415eeaa69d44aa [1,0,0,0,0,0|3,0,0]=4 87 B9R1.12 CSCNc1ncco1 44b6ee33c95609b66c0a28f57bbe3cb5 [1,0,0,0,0,0|3,0,0]=4 88 B9R1.12 CSCOc1ccco1 1390e2388610ba4d2a6a9c5a27789bf5 [1,0,0,0,0,0|2,0,0]=3 89 B9R1.12 CSCOc1cccs1 bce12fac0c68c414ccd2f558ed87d259 [1,0,0,0,0,0|2,1,0]=4 90 B9R1.12 FCCNc1cccs1 72d30de6f7107428d208ec2105512673 [1,0,0,0,0,0|2,1,0]=4 91 B9R1.12 FCCNc1ccno1 b6637a686695515d112143a76454239c [1,0,0,0,0,0|3,0,0]=4 92 B9R1.12 FCCNc1ncco1 47b5c44d7c9c24ca570ff921d61c2e16 [1,0,0,0,0,0|3,0,0]=4 93 B9R1.12 FCCOc1ccco1 74b943bccf8edd3f7423f52f687b6d81 [1,0,0,0,0,0|2,0,0]=3 94 B9R1.12 FCCOc1cccs1 4d4e0d32e310d3d0cee0221bc94ba774 [1,0,0,0,0,0|2,1,0]=4 95 B9R1.12 FCNCc1ccco1 15cf0ef1c142117a022de7e1d8123caa [1,0,0,0,0,0|2,0,1]=4 96 B9R1.12 FCOCc1ccco1 c04c3f12cfd8e7c8e05bcf1ef27a3e13 [1,0,0,0,0,0|2,0,1]=4 97 B9R1.12 ICCNc1cccs1 8499be8b0e3a22886e79ca6d717dc693 [1,0,0,0,0,0|2,1,0]=4 98 B9R1.12 N#CCOc1ccco1 97ed41888b204297d85be182c0210ec9 [1,0,0,0,0,0|2,0,1]=4 99 B9R1.12 O=CCOc1ccco1 1e74f64104a9bfe1c6a709b4cd3c3941 [1,0,0,0,0,0|2,0,1]=4 100 B9R1.12 OCCNc1ccco1 133a22307e236e8d6e7724cd612f28fd [1,0,0,0,0,0|2,0,0]=3 101 B9R1.12 OCCNc1cccs1 2ba78ef34c75ea3069c9d7a18a33b4b5 [1,0,0,0,0,0|2,1,0]=4 102 B9R1.12 OCCNc1ccno1 f9d4a2c229db87b9a999f7bc1ae8173c [1,0,0,0,0,0|3,0,0]=4 103 B9R1.12 OCCNc1ncco1 27672c213574093b88099a3cc5e6e3a7 [1,0,0,0,0,0|3,0,0]=4 104 B9R1.12 OCNCc1ccco1 65cac21f3029c35a0c20d324fb578c01 [1,0,0,0,0,0|2,0,1]=4 105 B9R1.12 SCCNc1ccco1 07751fd732d83bca22eb9634fbc19eef [1,0,0,0,0,0|2,0,0]=3 106 B9R1.12 SCCNc1cccs1 8a17ff5b35bec33fda4ea52f977bd5ac [1,0,0,0,0,0|2,1,0]=4 107 B9R1.12 SCCNc1ccno1 5cd3c4d2b0667cbb91e1ddefedf31d74 [1,0,0,0,0,0|3,0,0]=4 108 B9R1.12 SCCNc1ncco1 1229403417eadb8e714b272bcc417e39 [1,0,0,0,0,0|3,0,0]=4 109 B9R1.12 SCCOc1ccco1 7ce458dd6701fc9e2ddded3a6e0f82ed [1,0,0,0,0,0|2,0,0]=3 110 B9R1.12 SCCOc1cccs1 76d2470c19021421703a4592f24d10d6 [1,0,0,0,0,0|2,1,0]=4 111 B11R1.2 CCNC(CC)c1ccco1 d9957093663ca1628850ab1b41e745f2 [0,1,0,0,0,0|2,0,1]=4 112 B11R1.2 CCOC(CC)c1ccco1 366fc859f101fd1b46dbaf490df0422e [0,1,0,0,0,0|2,0,1]=4 113 B11R1.15 CCNC(C)c1ccc(o1)C 271fa2414ba38777da155b2209a86869 [0,1,0,0,0,0|2,0,1]=4 114 B11R1.15 CCN[C@H](C)c1ccc(o1)C 80275e4369678ae65bb7c97b72d2eff4 [0,1,0,0,0,0|2,0,1]=4 115 B11R1.15 Cc1ccc(o1)C(=O)NC#N a1567f28994cc6a96c94b1acb7b18548 [0,1,0,0,0,0|2,0,1]=4 116 B11R1.15 Cc1ccc(o1)N(C)CCO dc59adb0bfea27a84f70839b9b706132 [0,1,0,0,0,0|3,0,0]=4 117 B11R1.15 Cc1coc(c1)C(=O)NC#N 60655a7ff56bcd7309d0f66263e05705 [0,1,0,0,0,0|2,0,1]=4 118 B11R1.15 N#CNC(=O)c1cc(co1)Br 8a7ea278d3d6965cb144e18bb12ccaf8 [0,1,0,0,0,0|2,0,1]=4 119 B11R1.15 N#CNC(=O)c1cc(co1)Cl 063de56d7511ebd0e8f43be53fe730c1 [0,1,0,0,0,0|2,0,1]=4 120 B11R1.15 N#CNC(=O)c1ccc(o1)Br 6385b1f53d0f70a01f0a8fad13c6f9ef [0,1,0,0,0,0|2,0,1]=4 121 B11R1.15 N#CNC(=O)c1ccc(o1)Cl 6461fa21b41881e50d0e29e60a8115ae [0,1,0,0,0,0|2,0,1]=4 122 B11R1.15 N#CNC(=O)c1ccc(o1)F cb953639133a9878da5dd06648a93273 [0,1,0,0,0,0|2,0,1]=4 123 B11R1.15 N#CNC(=O)c1ccc(o1)I 3ac1e00bde381d562c973cca04cdcf0d [0,1,0,0,0,0|2,0,1]=4 124 B11R1.29 C#CCNC(=O)c1ccco1 54ff4fbf94cdf57e102cd95c169c2b22 [0,1,0,0,0,0|0,0,2]=3 125 B11R1.29 C#CCNC(=O)c1cccs1 a73f20fac8a22321b114b7ca12fcbd41 [0,1,0,0,0,0|0,1,2]=4 126 B11R1.29 C#CCNC(=O)c1ccno1 08b7f30e229d0b217996365a4e246e2b [0,1,0,0,0,0|1,0,2]=4 127 B11R1.29 C#CCNC(=O)c1cnco1 af04fdd6b0fb654fc6c86f243bcb8e52 [0,1,0,0,0,0|1,0,2]=4 128 B11R1.29 C#CCNC(=O)c1ncco1 de0ccbaabc1e72bd169d003147748fc4 [0,1,0,0,0,0|1,0,2]=4 129 B11R1.29 CC(NCCF)c1ccco1 2a9add295a7376e24c0060f240d02c67 [0,1,0,0,0,0|2,0,1]=4 130 B11R1.29 CC(NCCO)c1ccco1 69d6c02ba83682b3efb129f6090de12a [0,1,0,0,0,0|2,0,1]=4 131 B11R1.29 CC(NCCS)c1ccco1 df42ebe1a40d40339012260e8818d33d [0,1,0,0,0,0|2,0,1]=4 132 B11R1.29 CC(OCCF)c1ccco1 10f0dddbbecb7a4fa1347c04a154b2d6 [0,1,0,0,0,0|2,0,1]=4 133 B11R1.29 CC(OCCS)c1ccco1 f4004cbc673a5ac19c3887f2e1bfe5ec [0,1,0,0,0,0|2,0,1]=4 134 B11R1.29 CCCCC(=O)N1CC=CC1 1c16c01c5cce8e90bec05288d2ffc79b [0,1,0,0,0,0|2,0,1]=4 135 B11R1.29 CCCCN(C)c1ncco1 86bdcf44921157adba12893b90cc5d2b [0,1,0,0,0,0|3,0,0]=4 136 B11R1.29 CCCNC(=O)C1=CCCC1 581b7e80fde64cc894f2aa1fbed86279 [0,1,0,0,0,0|1,0,2]=4 137 B11R1.29 CCCNC(=O)C1=CCOC1 abb3d5b7de3c9d9c54297a499fbd9b2f [0,1,0,0,0,0|2,0,1]=4 138 B11R1.29 CCCNC(=O)C1=COCC1 fb31114ba4affbe8b9b65f6245b8ba05 [0,1,0,0,0,0|2,0,1]=4 139 B11R1.29 CCCNC(=O)N1CC=CC1 ed435726676b7d47da10dd29462e6d8d [0,1,0,0,0,0|2,0,1]=4 140 B11R1.29 CCCNC(=O)c1ccco1 d8640482dae316c354eef2e19d31ea28 [0,1,0,0,0,0|0,0,0]=1 141 B11R1.29 CCCNC(=O)c1cccs1 1ae41568b1bb950c7d429998b0d28b35 [0,1,0,0,0,0|0,1,0]=2 142 B11R1.29 CCCNC(=O)c1ccno1 c77a86055203fe3167c7545c3ffd5006 [0,1,0,0,0,0|1,0,0]=2 143 B11R1.29 CCCNC(=O)c1ccns1 9d9271c488c7abd875ce72ed3cf44ba5 [0,1,0,0,0,0|1,1,0]=3 144 B11R1.29 CCCNC(=O)c1ccoc1 b710ca9b77d5dd5c6625c458d5e02fff [0,1,0,0,0,0|2,0,0]=3 145 B11R1.29 CCCNC(=O)c1ccon1 b0dc163d9fefb7a716284cef4e030748 [0,1,0,0,0,0|2,0,0]=3 146 B11R1.29 CCCNC(=O)c1ccsc1 f3d21a60ff16bfd1a406284ddaeeda64 [0,1,0,0,0,0|2,0,0]=3 147 B11R1.29 CCCNC(=O)c1ccsn1 e8c0b20cf619db44cfbb541f25483c83 [0,1,0,0,0,0|2,0,0]=3 148 B11R1.29 CCCNC(=O)c1cnco1 4fd1ce58de56a0a6274075bcec5acbfd [0,1,0,0,0,0|1,0,0]=2 149 B11R1.29 CCCNC(=O)c1cncs1 e91fe99ebdc2a4d8795f2723108d1eae [0,1,0,0,0,0|1,1,0]=3 150 B11R1.29 CCCNC(=O)c1cnns1 64db1d867fdd41ade60d5010644d07e4 [0,1,0,0,0,0|2,1,0]=4 151 B11R1.29 CCCNC(=O)c1cnoc1 b2d070d5eee30fe7af3396e390e0b228 [0,1,0,0,0,0|3,0,0]=4 152 B11R1.29 CCCNC(=O)c1cnon1 23b85a447afd9f704b8ac0dc096077ba [0,1,0,0,0,0|3,0,0]=4 153 B11R1.29 CCCNC(=O)c1cnsc1 ba82ecfdec2a2b2e14ab0c2784f0a54b [0,1,0,0,0,0|3,0,0]=4 154 B11R1.29 CCCNC(=O)c1cnsn1 37870b0002f0f46911501ff35dd2632c [0,1,0,0,0,0|3,0,0]=4 155 B11R1.29 CCCNC(=O)c1cocn1 2575f7f0f3b0833b3d960e27221e8713 [0,1,0,0,0,0|2,0,0]=3 156 B11R1.29 CCCNC(=O)c1cscn1 070671f79af8ad71ff8934158ae62037 [0,1,0,0,0,0|2,0,0]=3 157 B11R1.29 CCCNC(=O)c1csnn1 59a6a016976fc9c0e2c685241bdc6c59 [0,1,0,0,0,0|3,0,0]=4 158 B11R1.29 CCCNC(=O)c1ncco1 ae748957f37f8038ea8711a85c12e485 [0,1,0,0,0,0|1,0,0]=2 159 B11R1.29 CCCNC(=O)c1nccs1 b508beeea12b29e1771eeed4bc4b32ee [0,1,0,0,0,0|1,1,0]=3 160 B11R1.29 CCCNC(=O)c1ncns1 3fe9acd037e6ed9b672559366c86ae91 [0,1,0,0,0,0|2,1,0]=4 161 B11R1.29 CCCNC(=O)c1ncon1 37f6c57674c11383df86f37ceac27f9c [0,1,0,0,0,0|3,0,0]=4 162 B11R1.29 CCCNC(=O)c1nnco1 1cfa22074c4ff364b7ff2ab43dab0a5f [0,1,0,0,0,0|2,0,0]=3 163 B11R1.29 CCCNC(C)c1ccco1 7e86f1ea622a23860ffb4a628b926f5c [0,1,0,0,0,0|1,0,1]=3 164 B11R1.29 CCCNC(C)c1cccs1 5aa9843479ce77815080bd0dc1188a66 [0,1,0,0,0,0|1,1,1]=4 165 B11R1.29 CCCNC(C)c1ncco1 7e876297f86bbbf2c23cc8f221d3f51e [0,1,0,0,0,0|2,0,1]=4 166 B11R1.29 CCCN[C@@H](C)c1cccs1 098413012ff26c797e0fcae43b28d795 [0,1,0,0,0,0|1,1,1]=4 167 B11R1.29 CCCN[C@H](C)c1ccco1 842b31baf27b8ee70706649ada8ebef1 [0,1,0,0,0,0|1,0,1]=3 168 B11R1.29 CCCN[C@H](C)c1cccs1 d06b2fe6113708b6534bdf5ede68b17d [0,1,0,0,0,0|1,1,1]=4 169 B11R1.29 CCCOC(C)c1ccco1 0c8192b3fce9fa8d97db205912c0cbc9 [0,1,0,0,0,0|1,0,1]=3 170 B11R1.29 CCCOC(C)c1cccs1 7b6bdb3f83eaafe65831e71864baaf4a [0,1,0,0,0,0|1,1,1]=4 171 B11R1.29 CCCO[C@@H](C)c1cccs1 21ea319236f123ccc86c3b2cf90832cc [0,1,0,0,0,0|1,1,1]=4 172 B11R1.29 CCCO[C@H](C)c1ccco1 8a90bd4017346c35e1595975c1908a98 [0,1,0,0,0,0|1,0,1]=3 173 B11R1.29 CCCO[C@H](C)c1cccs1 29e31d089cc062e1ef867d38e325320e [0,1,0,0,0,0|1,1,1]=4 174 B11R1.29 CCNCC(O)c1ccco1 528c2aad00677439131d2a8d894a2f6c [0,1,0,0,0,0|0,0,2]=3 175 B11R1.29 CCNCC(O)c1cccs1 0c5890746682937c6b36dd00db074136 [0,1,0,0,0,0|0,1,2]=4 176 B11R1.29 CCOCC(=O)N1CC=CC1 cbe04d07f816e15e959c3e44421cb76a [0,1,0,0,0,0|2,0,1]=4 177 B11R1.29 CCOCC(=O)c1ccco1 914a75ebe3137d0727414a3562da2864 [0,1,0,0,0,0|0,0,0]=1 178 B11R1.29 CCOCN(C)c1ncco1 40f43e530f7fd411649bf7e217c36d7e [0,1,0,0,0,0|3,0,0]=4 179 B11R1.29 CCSCC(=O)N1CC=CC1 4efcb7b52d579e38e1c0f577d8f60916 [0,1,0,0,0,0|2,0,1]=4 180 B11R1.29 CN(CCCF)c1ncco1 615ed7ef22709b8e33e372a0c82d8443 [0,1,0,0,0,0|3,0,0]=4 181 B11R1.29 CN(CCCO)c1cccs1 e6daf353414ec8ee096ae8062390662c [0,1,0,0,0,0|2,1,0]=4 182 B11R1.29 CN(CCCO)c1ncco1 1b53211c34571bcb5f681228d78e05b6 [0,1,0,0,0,0|3,0,0]=4 183 B11R1.29 CN(CCCS)c1ncco1 b72522081599e6ed25b7e4a64e5bb957 [0,1,0,0,0,0|3,0,0]=4 184 B11R1.29 COCCC(=O)N1CC=CC1 51fdb788d024b9a9fce1aab10b35f222 [0,1,0,0,0,0|2,0,1]=4 185 B11R1.29 COCCN(C)c1ncco1 4672e1489d6a69bff12eaed6854556e1 [0,1,0,0,0,0|3,0,0]=4 186 B11R1.29 COCNC(C)c1ccco1 32057decc3fed592a6e76a815459ddd1 [0,1,0,0,0,0|2,0,1]=4 187 B11R1.29 COCN[C@H](C)c1ccco1 be4dcc2f7ba04d40894497417b536ba9 [0,1,0,0,0,0|2,0,1]=4 188 B11R1.29 CSCCC(=O)N1CC=CC1 fffebcae5c3e940447a048425e657816 [0,1,0,0,0,0|2,0,1]=4 189 B11R1.29 CSCCN(C)c1ncco1 275c6df72c98677923f59826e4411dda [0,1,0,0,0,0|3,0,0]=4 190 B11R1.29 CSCNC(C)c1ccco1 af04926486f46f1ded73f9de1fe05881 [0,1,0,0,0,0|2,0,1]=4 191 B11R1.29 CSCN[C@H](C)c1ccco1 517be0c14aea623e338bc0e28f49ee13 [0,1,0,0,0,0|2,0,1]=4 192 B11R1.29 C[C@@H](NCCF)c1ccco1 99d0b04c2de0233367755b8adb89391f [0,1,0,0,0,0|2,0,1]=4 193 B11R1.29 C[C@@H](NCCO)c1ccco1 a92e6290682e4a9cd9e77fa1613f2146 [0,1,0,0,0,0|2,0,1]=4 194 B11R1.29 C[C@@H](NCCS)c1ccco1 db60d68a1e1cf43e7b3d7c9ce11cc2eb [0,1,0,0,0,0|2,0,1]=4 195 B11R1.29 C[C@@H](OCCF)c1ccco1 f4d7d8c9ded12605d9a55c2d221894a1 [0,1,0,0,0,0|2,0,1]=4 196 B11R1.29 C[C@@H](OCCS)c1ccco1 41565a4abc9e21b37ab8da4b94e920fb [0,1,0,0,0,0|2,0,1]=4 197 B11R1.29 N#CCNC(=O)c1ccco1 d313d8b0ce76d9c99b94fac6efbe655d [0,1,0,0,0,0|1,0,1]=3 198 B11R1.29 N#CCNC(=O)c1cccs1 13176c523a2d4c2196241743e91c74ce [0,1,0,0,0,0|1,1,1]=4 199 B11R1.29 N#CCNC(=O)c1ccno1 81934f7a43c2838bbfe7d5fdaf673eb4 [0,1,0,0,0,0|2,0,1]=4 200 B11R1.29 N#CCNC(=O)c1cnco1 a56ff5d9836840f52c8df6af6b678b3c [0,1,0,0,0,0|2,0,1]=4 201 B11R1.29 N#CCNC(=O)c1ncco1 f1e9f1f9a677f8bea34273934174e41a [0,1,0,0,0,0|2,0,1]=4 202 B11R1.29 N#CNCC(=O)c1ccco1 7d006b99701e12406ebdf274950972cb [0,1,0,0,0,0|1,0,1]=3 203 B11R1.29 N#CNCC(=O)c1cccs1 34e482cca636b2327c3ed850acb09e0f [0,1,0,0,0,0|1,1,1]=4 204 B11R1.29 N#CNCC(=O)c1ncco1 1d5609bccdedd9817f4ace835a86f5a0 [0,1,0,0,0,0|2,0,1]=4 205 B11R1.29 O=C(CCCF)N1CC=CC1 914889989899ebbf50824f6d825c76be [0,1,0,0,0,0|2,0,1]=4 206 B11R1.29 O=C(CCCS)N1CC=CC1 acf73866edd6fe1ff3bb7e4bf00c8d72 [0,1,0,0,0,0|2,0,1]=4 207 B11R1.29 O=C(COCF)c1ccco1 17b6d760525bf4481cd14a7fa5054d49 [0,1,0,0,0,0|1,0,0]=2 208 B11R1.29 O=C(NCCBr)c1ccco1 a0a02576173476b1d0f57aa98df99ffa [0,1,0,0,0,0|1,0,0]=2 209 B11R1.29 O=C(NCCBr)c1cccs1 331cf389663d77aeea0129bf68a2925d [0,1,0,0,0,0|1,1,0]=3 210 B11R1.29 O=C(NCCBr)c1ccno1 9a906130ef97f1cf1826565367a02026 [0,1,0,0,0,0|2,0,0]=3 211 B11R1.29 O=C(NCCBr)c1ccoc1 f17b4805ccc8050fa79e72b10af601a3 [0,1,0,0,0,0|3,0,0]=4 212 B11R1.29 O=C(NCCBr)c1ccsc1 e38ae1ea88454d8bd1978965b12e5086 [0,1,0,0,0,0|3,0,0]=4 213 B11R1.29 O=C(NCCBr)c1cnco1 f213b12c539887a7112db4c1eff3b684 [0,1,0,0,0,0|2,0,0]=3 214 B11R1.29 O=C(NCCBr)c1cncs1 60fbde55268ffca5c3be8cf756de24e1 [0,1,0,0,0,0|2,1,0]=4 215 B11R1.29 O=C(NCCBr)c1cocn1 cfd1e1548d98aefe311ff6b4486d7abf [0,1,0,0,0,0|3,0,0]=4 216 B11R1.29 O=C(NCCBr)c1cscn1 7caf1113a205fa3a768a4f60a6dfcaca [0,1,0,0,0,0|3,0,0]=4 217 B11R1.29 O=C(NCCBr)c1ncco1 ddfe2bffa9dbf30bfc49d06c78a41a13 [0,1,0,0,0,0|2,0,0]=3 218 B11R1.29 O=C(NCCBr)c1nccs1 2f66e8cff02a375147879a0050d7c8d9 [0,1,0,0,0,0|2,1,0]=4 219 B11R1.29 O=C(NCCF)c1ccco1 3debe2a549207ec0880069641356d391 [0,1,0,0,0,0|1,0,0]=2 220 B11R1.29 O=C(NCCF)c1cccs1 9dae2ac8adb10fc0a2a428c2efd9277c [0,1,0,0,0,0|1,1,0]=3 221 B11R1.29 O=C(NCCF)c1ccno1 2fc4ae01e473d6e2938d4b854c16bc61 [0,1,0,0,0,0|2,0,0]=3 222 B11R1.29 O=C(NCCF)c1ccns1 e5c5a111f8976524a3b3e3fbbf7f1396 [0,1,0,0,0,0|2,1,0]=4 223 B11R1.29 O=C(NCCF)c1ccoc1 dc7d561c6a59183e9b5592773f8ccae0 [0,1,0,0,0,0|3,0,0]=4 224 B11R1.29 O=C(NCCF)c1ccon1 142d3c284a476383841b2cf6a9d2d225 [0,1,0,0,0,0|3,0,0]=4 225 B11R1.29 O=C(NCCF)c1ccsc1 5671a45f2671253d004b5c4a0d81ee8b [0,1,0,0,0,0|3,0,0]=4 226 B11R1.29 O=C(NCCF)c1ccsn1 173f0ef87207bc7ab11a877afb1d6ce2 [0,1,0,0,0,0|3,0,0]=4 227 B11R1.29 O=C(NCCF)c1cnco1 0e4d328ade266bcd470550f55f4b8214 [0,1,0,0,0,0|2,0,0]=3 228 B11R1.29 O=C(NCCF)c1cncs1 383955fe88e0dc0fa7d36d083e3465fa [0,1,0,0,0,0|2,1,0]=4 229 B11R1.29 O=C(NCCF)c1cocn1 b5ee11bcd5c13814fed2a82d160c97ff [0,1,0,0,0,0|3,0,0]=4 230 B11R1.29 O=C(NCCF)c1cscn1 ab71382f1a3a031fd30aabc233b27d99 [0,1,0,0,0,0|3,0,0]=4 231 B11R1.29 O=C(NCCF)c1ncco1 7b4a48b6dd9dac5dc75cb2f84f090566 [0,1,0,0,0,0|2,0,0]=3 232 B11R1.29 O=C(NCCF)c1nccs1 77eb2769675c943061834add83081ee5 [0,1,0,0,0,0|2,1,0]=4 233 B11R1.29 O=C(NCCF)c1nnco1 d603f56e76fcc4e867d82d6d72188aa2 [0,1,0,0,0,0|3,0,0]=4 234 B11R1.29 O=C(NCCI)c1ccco1 5f8d286413b9d386aa5f26a345db8e0d [0,1,0,0,0,0|1,0,0]=2 235 B11R1.29 O=C(NCCI)c1cccs1 5c45c09620601b3f7f3d99c70e7c8eec [0,1,0,0,0,0|1,1,0]=3 236 B11R1.29 O=C(NCCI)c1ccno1 33f83caed4e05fa64b2512b71d58eca7 [0,1,0,0,0,0|2,0,0]=3 237 B11R1.29 O=C(NCCI)c1ccns1 a1da8b64574cd4b7b6848bb7562cdcca [0,1,0,0,0,0|2,1,0]=4 238 B11R1.29 O=C(NCCI)c1ccoc1 937c026f38ef0d37ba356822a011d166 [0,1,0,0,0,0|3,0,0]=4 239 B11R1.29 O=C(NCCI)c1ccon1 80dc1be028b5b257ddea035c7e53ae34 [0,1,0,0,0,0|3,0,0]=4 240 B11R1.29 O=C(NCCI)c1ccsc1 73851a3bb363013c32e7ebbc55213373 [0,1,0,0,0,0|3,0,0]=4 241 B11R1.29 O=C(NCCI)c1ccsn1 f4d53a643298fdbd6d91d796a4b8a023 [0,1,0,0,0,0|3,0,0]=4 242 B11R1.29 O=C(NCCI)c1cnco1 c87e910213bc69260e0c8db022a3fb59 [0,1,0,0,0,0|2,0,0]=3 243 B11R1.29 O=C(NCCI)c1cncs1 3a3d795952c46b3daef9a5b6d68fa412 [0,1,0,0,0,0|2,1,0]=4 244 B11R1.29 O=C(NCCI)c1cocn1 2ed053c043c561dc6a809a5ccdecafd0 [0,1,0,0,0,0|3,0,0]=4 245 B11R1.29 O=C(NCCI)c1cscn1 f2560ca5efe03971012bed9b84485591 [0,1,0,0,0,0|3,0,0]=4 246 B11R1.29 O=C(NCCI)c1ncco1 93d34a67e692c1c193eb6a83e00f8535 [0,1,0,0,0,0|2,0,0]=3 247 B11R1.29 O=C(NCCI)c1nccs1 036a52a19aa67d410084de031cedb749 [0,1,0,0,0,0|2,1,0]=4 248 B11R1.29 O=C(NCCI)c1nnco1 a77565eb82e1fabc775f60879b597fe7 [0,1,0,0,0,0|3,0,0]=4 249 B11R1.29 O=C(NCCO)c1ccco1 d1dff333f1685197c7717060e53f80c8 [0,1,0,0,0,0|1,0,0]=2 250 B11R1.29 O=C(NCCO)c1cccs1 188d85a1296df35506e6f58e072aa86e [0,1,0,0,0,0|1,1,0]=3 251 B11R1.29 O=C(NCCO)c1ccno1 d5654daeb27fe7d7448fb88f8a40cd7a [0,1,0,0,0,0|2,0,0]=3 252 B11R1.29 O=C(NCCO)c1ccns1 fd508a116e24c5b4a40289fb39324811 [0,1,0,0,0,0|2,1,0]=4 253 B11R1.29 O=C(NCCO)c1ccoc1 26f27fa8047d75aba267ec90ff5f5db5 [0,1,0,0,0,0|3,0,0]=4 254 B11R1.29 O=C(NCCO)c1ccon1 45d014ed584f9586c3feab142f6e4df6 [0,1,0,0,0,0|3,0,0]=4 255 B11R1.29 O=C(NCCO)c1ccsc1 cd4b4e6a612d00f35fffe04cc8f8d9b0 [0,1,0,0,0,0|3,0,0]=4 256 B11R1.29 O=C(NCCO)c1ccsn1 a0234999d4dd72b14e944f77fc6f636f [0,1,0,0,0,0|3,0,0]=4 257 B11R1.29 O=C(NCCO)c1cnco1 b61e2bef4acc84ed4e0fe63f8c9498c1 [0,1,0,0,0,0|2,0,0]=3 258 B11R1.29 O=C(NCCO)c1cncs1 6d1cbd4f329d93ed8f2059768f90065d [0,1,0,0,0,0|2,1,0]=4 259 B11R1.29 O=C(NCCO)c1cocn1 253f25f99125f7addb5100512e728c29 [0,1,0,0,0,0|3,0,0]=4 260 B11R1.29 O=C(NCCO)c1cscn1 4642e0cbf6ca626921b3a494e379793b [0,1,0,0,0,0|3,0,0]=4 261 B11R1.29 O=C(NCCO)c1ncco1 a7fbe4f9da9c46d9cd52676527965991 [0,1,0,0,0,0|2,0,0]=3 262 B11R1.29 O=C(NCCO)c1nccs1 b562304a528adb16b34e4b9da18c2c5c [0,1,0,0,0,0|2,1,0]=4 263 B11R1.29 O=C(NCCO)c1nnco1 87cfe7410943364344cb8a0b009ccd45 [0,1,0,0,0,0|3,0,0]=4 264 B11R1.29 O=C(NCCS)c1ccco1 32077be75d73ebb14fb9991bd123b7cd [0,1,0,0,0,0|1,0,0]=2 265 B11R1.29 O=C(NCCS)c1cccs1 c2a462f6c11566c870af0f7b13d5fade [0,1,0,0,0,0|1,1,0]=3 266 B11R1.29 O=C(NCCS)c1ccno1 3745e7100d16f98fcf8824204413aee5 [0,1,0,0,0,0|2,0,0]=3 267 B11R1.29 O=C(NCCS)c1ccns1 974cf9e0fce0d5e62fc5a8441216e482 [0,1,0,0,0,0|2,1,0]=4 268 B11R1.29 O=C(NCCS)c1ccoc1 1c37d5ab00bec609b56f86d92eede865 [0,1,0,0,0,0|3,0,0]=4 269 B11R1.29 O=C(NCCS)c1ccon1 bb8f019eedfe0945ac17cd0c19d101a2 [0,1,0,0,0,0|3,0,0]=4 270 B11R1.29 O=C(NCCS)c1ccsc1 b12a79ad271bb7b9ba5d316882d21f81 [0,1,0,0,0,0|3,0,0]=4 271 B11R1.29 O=C(NCCS)c1ccsn1 84e727b1a1c56a72cd14fe80aa54ebe1 [0,1,0,0,0,0|3,0,0]=4 272 B11R1.29 O=C(NCCS)c1cnco1 0f812843e2b307f761a930dbcfa6f774 [0,1,0,0,0,0|2,0,0]=3 273 B11R1.29 O=C(NCCS)c1cncs1 34995d48978f02a0be1d0e1d24782c87 [0,1,0,0,0,0|2,1,0]=4 274 B11R1.29 O=C(NCCS)c1cocn1 95182173a49ebb800618c8b1511ab721 [0,1,0,0,0,0|3,0,0]=4 275 B11R1.29 O=C(NCCS)c1cscn1 1ee9171f94169aebbe309486fdef8607 [0,1,0,0,0,0|3,0,0]=4 276 B11R1.29 O=C(NCCS)c1ncco1 2bf2edf52d3025c34621d30041d2a131 [0,1,0,0,0,0|2,0,0]=3 277 B11R1.29 O=C(NCCS)c1nccs1 d2c72eed24ffb5227db504a76a4e3581 [0,1,0,0,0,0|2,1,0]=4 278 B11R1.29 O=C(NCCS)c1nnco1 5464e9d7407318beb6e01b232d3f8146 [0,1,0,0,0,0|3,0,0]=4 279 B11R1.29 OC(CNCF)c1ccco1 3a0eeb21422252519cfbbac6487a41b0 [0,1,0,0,0,0|1,0,2]=4 280 B11R1.29 OCNCC(O)c1ccco1 b3dbc901afe42871f041c3fb7a098a05 [0,1,0,0,0,0|1,0,2]=4 281 B11R1.31 CCC(C)N(C)c1ncco1 c9e67dd0b2826e0b6b80f5ff912fdfc6 [0,1,0,0,0,0|3,0,0]=4 282 B11R1.31 CCC(O)C(=O)N1CC=CC1 43ccad719eacf344d8d5daf8960147ad [0,1,0,0,0,0|2,0,1]=4 283 B11R1.31 CCN(C)C(=O)c1ccco1 1b82eb35c96b085b915540c07bac3920 [0,1,0,0,0,0|1,0,0]=2 284 B11R1.31 CCN(C)C(=O)c1cccs1 80970f2e6f1dc626206597e2cfac810d [0,1,0,0,0,0|1,1,0]=3 285 B11R1.31 CCN(C)C(=O)c1ccno1 25e565a202d4c106f7f9ef9283081d12 [0,1,0,0,0,0|2,0,0]=3 286 B11R1.31 CCN(C)C(=O)c1ccns1 0e51b2100535a0a2705973ddcda239e4 [0,1,0,0,0,0|2,1,0]=4 287 B11R1.31 CCN(C)C(=O)c1ccoc1 94cd0d13e4987cc7ea5346c09ac3c490 [0,1,0,0,0,0|3,0,0]=4 288 B11R1.31 CCN(C)C(=O)c1ccon1 73a4fc3ee353255d3570f268686c319b [0,1,0,0,0,0|3,0,0]=4 289 B11R1.31 CCN(C)C(=O)c1ccsc1 75dfa03b0f4d819df52cc1c3c1e3dea2 [0,1,0,0,0,0|3,0,0]=4 290 B11R1.31 CCN(C)C(=O)c1ccsn1 756d55b848e4168148ecf0092cdabc68 [0,1,0,0,0,0|3,0,0]=4 291 B11R1.31 CCN(C)C(=O)c1cnco1 308a66c8ad07b20c950d2b86fa4b36b2 [0,1,0,0,0,0|2,0,0]=3 292 B11R1.31 CCN(C)C(=O)c1cncs1 df299539c1fb160913a2852cb407fbc5 [0,1,0,0,0,0|2,1,0]=4 293 B11R1.31 CCN(C)C(=O)c1cocn1 247eab91acbd2a3f05f3129b4a5c6adb [0,1,0,0,0,0|3,0,0]=4 294 B11R1.31 CCN(C)C(=O)c1cscn1 fbd1c0980497c2a88d425cee7d2b50ea [0,1,0,0,0,0|3,0,0]=4 295 B11R1.31 CCN(C)C(=O)c1ncco1 121c1af6bc556b4fafc677e40bfcf51b [0,1,0,0,0,0|2,0,0]=3 296 B11R1.31 CCN(C)C(=O)c1nccs1 72fa8027d0a7cd20ed26c27371619943 [0,1,0,0,0,0|2,1,0]=4 297 B11R1.31 CCN(C)C(=O)c1nnco1 7c75c43225dcf4f2648e7de92531b174 [0,1,0,0,0,0|3,0,0]=4 298 B11R1.31 CC[C@@H](O)C(=O)N1CC=CC1 9b6ba0f9536496f38247428272f43bba [0,1,0,0,0,0|2,0,1]=4 299 B11R1.31 CC[C@H](O)C(=O)N1CC=CC1 0dd2df3fc0710a6848fe9084733586cc [0,1,0,0,0,0|2,0,1]=4 300 B11R1.31 CC[C@H](S)C(=O)N1CC=CC1 78a95689f0f785a88e565a559b27708e [0,1,0,0,0,0|2,0,1]=4 301 B11R1.77 CC(C)CC(=O)N1CC=CC1 94cc07240120a9db268b8b7cdb887da6 [0,1,0,0,0,0|2,0,1]=4 302 B11R1.77 CC(C)CN(C)c1ncco1 1c311ac6a061cc17e543bd89d65daca3 [0,1,0,0,0,0|3,0,0]=4 303 B11R1.77 CC(O)CC(=O)N1CC=CC1 51ee53d4481556f5b1c052d60a2e2c3e [0,1,0,0,0,0|2,0,1]=4 304 B11R1.77 CC(O)CN(C)c1ncco1 387eb2977940eccf1b8c0fc59a175dac [0,1,0,0,0,0|3,0,0]=4 305 B11R1.77 C[C@@H](O)CC(=O)N1CC=CC1 4148b84091cf739809fb388774538b6c [0,1,0,0,0,0|2,0,1]=4 306 B11R1.77 C[C@H](O)CC(=O)N1CC=CC1 ec12d80d94b44131bff94c9e48b6734b [0,1,0,0,0,0|2,0,1]=4 307 B11R1.77 C[C@H](O)CN(C)c1ncco1 51b424e5728ccbdbb3821d0957b0a38d [0,1,0,0,0,0|3,0,0]=4 308 B11R1.199 Cc1ccoc1C(=O)NC#N 598b4321847e40564fd3b3f22ad749bb [0,1,0,0,0,0|2,0,1]=4 309 B11R1.199 N#CNC(=O)c1occc1Br 88cf68484d157a7bb3bdd7cd39b6f883 [0,1,0,0,0,0|2,0,1]=4 310 B9R0.5 C=CCCNC(=O)CCC cf53a2db9c6b8bf112b423fceb3e3e88 [0,0,1,0,0,0|2,0,1]=4 311 B9R0.5 C=CCOCC(=O)NCC 0c8b900e0707d7423d698d9813e6f594 [0,0,1,0,0,0|1,0,2]=4 312 B9R0.5 C=CCOCC(=O)OCC 9a263b5396d3bde89fbebf34ff6fb949 [0,0,1,0,0,0|1,0,2]=4 313 B9R0.5 CC=CCNC(=O)CCC a2189c9a5e101c26f476080a5e98ae2b [0,0,1,0,0,0|2,0,1]=4 314 B9R0.35 C=CCN(C)C(=O)CCC 8a0f41674374901ac414fa19ef7994e0 [0,0,1,0,0,0|2,0,1]=4 315 B11R1.16 CCCC(=O)N1CC=CCC1 787b44301fda272a67fce7162c3e6048 [0,0,0,0,0,1|2,0,1]=4 316 B11R1.16 CCCN(C)c1ccccc1 5333b12ce18e2a38096b8e486fed114a [0,0,0,0,0,1|3,0,0]=4 317 B11R1.16 CCCN(C)c1ccccn1 8ff1db8620efe8553f2af13d547cf9e1 [0,0,0,0,0,1|3,0,0]=4 318 B11R1.16 CCCN(C)c1cccnc1 28cb54c9c808eaf7ba52852976110e8a [0,0,0,0,0,1|3,0,0]=4 319 B11R1.16 CCCN(C)c1ccncc1 f3869aa81991c685d55848e048247f3e [0,0,0,0,0,1|3,0,0]=4 320 B11R1.16 CCCN(C)c1ccncn1 bd7fe4185816fe05bec7bd92de86498a [0,0,0,0,0,1|3,0,0]=4 321 B11R1.16 CCCN(C)c1cnccn1 7515a4a7db1f95bb8312ff50e22bcdd1 [0,0,0,0,0,1|3,0,0]=4 322 B11R1.16 CCCN(C)c1ncccn1 0ce0ace55fb174ccdc6819afe0f51fcd [0,0,0,0,0,1|3,0,0]=4 323 B11R1.30 C#CCC(=O)Nc1cccs1 7fc435d72abffb5f523dd2266744fe97 [0,0,0,0,0,1|0,1,2]=4 324 B11R1.30 C#CCC(=O)Nc1ccno1 81bdd418ae68a79fce408a208082c9d0 [0,0,0,0,0,1|1,0,2]=4 325 B11R1.30 C#CCC(=O)Nc1ncco1 18c9dc20e0aa135fdb40643e384268e3 [0,0,0,0,0,1|1,0,2]=4 326 B11R1.30 C/C=C/C(=O)Nc1cccs1 b88ce0f8a91c462affd137607d6d36dc [0,0,0,0,0,1|0,1,2]=4 327 B11R1.30 C/C=C/C(=O)Nc1ccno1 dd103a3b019bbf534605a01099f9a05d [0,0,0,0,0,1|1,0,2]=4 328 B11R1.30 C/C=C/C(=O)Nc1ncco1 1282f2efb1ed2f54cdb05b4beaae5228 [0,0,0,0,0,1|1,0,2]=4 329 B11R1.30 C=CCC(=O)Nc1cccs1 80873c7ca7742b806143be5b5d7a8ff3 [0,0,0,0,0,1|0,1,2]=4 330 B11R1.30 C=CCC(=O)Nc1ccno1 8b3d838b799f53f89d1d99f2bd844adb [0,0,0,0,0,1|1,0,2]=4 331 B11R1.30 C=CCC(=O)Nc1ncco1 6a48ea59766a33d08343dfa04e7b4269 [0,0,0,0,0,1|1,0,2]=4 332 B11R1.30 CC#CC(=O)Nc1cccs1 87ffd0a5fb7985c87692f6328976123e [0,0,0,0,0,1|0,1,2]=4 333 B11R1.30 CC#CC(=O)Nc1ncco1 7f5f7f1d1ff1407ca5f7c855004ead68 [0,0,0,0,0,1|1,0,2]=4 334 B11R1.30 CCCC(=O)CN1CC=CC1 e322b106c9b3a4357bc4e14e9255e236 [0,0,0,0,0,1|2,0,1]=4 335 B11R1.30 CCCC(=O)NC1CC=CC1 87e0e96ae3493d85942678b7131efa99 [0,0,0,0,0,1|1,0,2]=4 336 B11R1.30 CCCC(=O)Nc1cccs1 e85255fe7df8b1c9d43477733b584e37 [0,0,0,0,0,1|0,1,0]=2 337 B11R1.30 CCCC(=O)Nc1ccno1 3ccccb7c8979c3bc22cc86bea1bddb28 [0,0,0,0,0,1|1,0,0]=2 338 B11R1.30 CCCC(=O)Nc1ccns1 2a74865dacf52b7f3354ddeff0f77c31 [0,0,0,0,0,1|1,1,0]=3 339 B11R1.30 CCCC(=O)Nc1ccsc1 108cce219dc246201cdf6f68a8be17b7 [0,0,0,0,0,1|2,0,0]=3 340 B11R1.30 CCCC(=O)Nc1cncs1 c331b08b0db441dc3cb2dfd771fc3b07 [0,0,0,0,0,1|1,1,0]=3 341 B11R1.30 CCCC(=O)Nc1cnoc1 9cf827dd7ce9f5fb7271d259baa14a3e [0,0,0,0,0,1|3,0,0]=4 342 B11R1.30 CCCC(=O)Nc1cnsc1 034f574347d191cd4053487a0c3af7cb [0,0,0,0,0,1|3,0,0]=4 343 B11R1.30 CCCC(=O)Nc1cocn1 cae2207ebb19761b24ffb7f63baed56c [0,0,0,0,0,1|2,0,0]=3 344 B11R1.30 CCCC(=O)Nc1cscn1 4dbfcf033d267b67d2d4ce2bd176a94e [0,0,0,0,0,1|2,0,0]=3 345 B11R1.30 CCCC(=O)Nc1ncco1 c7577386937f7b8ea3029afe6bf848b7 [0,0,0,0,0,1|1,0,0]=2 346 B11R1.30 CCCC(=O)Nc1nccs1 e9f83916e72fe67095f66a8ff23682db [0,0,0,0,0,1|1,1,0]=3 347 B11R1.30 CCCC(=O)Nc1ncns1 1b96846de5a4cf23626875bd2a40c7bc [0,0,0,0,0,1|2,1,0]=4 348 B11R1.30 CCCC(=O)Nc1nncs1 a26054b855789081f8656bb926cf176f [0,0,0,0,0,1|2,1,0]=4 349 B11R1.30 CCCC(C)Nc1ccno1 a59d4ea592343bf0f35aa3486145a742 [0,0,0,0,0,1|2,0,1]=4 350 B11R1.30 CCCC(C)Nc1ncco1 3b3abc37f1b3c759cd4bd5bbcc94dd4c [0,0,0,0,0,1|2,0,1]=4 351 B11R1.30 CCCC(C)Oc1ccco1 715c6a459f942b82fe295bae77d57485 [0,0,0,0,0,1|1,0,1]=3 352 B11R1.30 CCCC(C)Oc1cccs1 796dc12e7e3554432ba77b7bb6595c04 [0,0,0,0,0,1|1,1,1]=4 353 B11R1.30 CCCN(C)Cc1ccc[nH]1 d8cc80f127505f144f5e5a57f8d3a508 [0,0,0,0,0,1|3,0,0]=4 354 B11R1.30 CCCN(C)Cc1ccco1 13f6d562055bcf95cd6da20bf92f66e4 [0,0,0,0,0,1|2,0,0]=3 355 B11R1.30 CCCN(C)Cc1cccs1 d47aa17881ff2fe293557d1c1372694d [0,0,0,0,0,1|2,1,0]=4 356 B11R1.30 CCCN(C)Cc1ccno1 a99acdba754350a71dec7efc621560e3 [0,0,0,0,0,1|3,0,0]=4 357 B11R1.30 CCCN(C)Cc1ncco1 69cfe9ea54e60b6bea38f714de2a46b1 [0,0,0,0,0,1|3,0,0]=4 358 B11R1.30 CCNC(C)Cc1ccco1 d3bc82612ebcebe3fdc3daa746d06097 [0,0,0,0,0,1|2,0,1]=4 359 B11R1.30 CCOC(C)Cc1ccco1 4721e32c92e264327edcbf525712e92a [0,0,0,0,0,1|2,0,1]=4 360 B11R1.30 CN(CCF)Cc1ccco1 e0e1ef931189580e3b929bade441ce90 [0,0,0,0,0,1|3,0,0]=4 361 B11R1.30 CN(CCO)Cc1ccco1 bb0b44836192bec5a850519fb0abb234 [0,0,0,0,0,1|3,0,0]=4 362 B11R1.30 CN(CCS)Cc1ccco1 60a49cd81cf67fb2fba8d60aa4e732fd [0,0,0,0,0,1|3,0,0]=4 363 B11R1.30 COCC(=O)Nc1cccs1 fbca31af7a27ff67c42c92ab71bc8d63 [0,0,0,0,0,1|1,1,0]=3 364 B11R1.30 COCC(=O)Nc1ccno1 ddb40514378f2b62c4a994665b7aaf41 [0,0,0,0,0,1|2,0,0]=3 365 B11R1.30 COCC(=O)Nc1ccns1 7be58ea32a7181d7f170a7288757e136 [0,0,0,0,0,1|2,1,0]=4 366 B11R1.30 COCC(=O)Nc1ccsc1 ab3ccd6a028131dbd8e446d46500b5b5 [0,0,0,0,0,1|3,0,0]=4 367 B11R1.30 COCC(=O)Nc1cncs1 7bb0f00bea439135f8873e059968f3c0 [0,0,0,0,0,1|2,1,0]=4 368 B11R1.30 COCC(=O)Nc1cocn1 f2805bde89bde965f957591bf1b2a8ba [0,0,0,0,0,1|3,0,0]=4 369 B11R1.30 COCC(=O)Nc1cscn1 da4366206f27d8ffc0b106436228098e [0,0,0,0,0,1|3,0,0]=4 370 B11R1.30 COCC(=O)Nc1ncco1 d05d688c86611e685b1545d8fd8da624 [0,0,0,0,0,1|2,0,0]=3 371 B11R1.30 COCC(=O)Nc1nccs1 92039ff24c9ffe84a41c1ed7aa5732b7 [0,0,0,0,0,1|2,1,0]=4 372 B11R1.30 COCC(C)Oc1ccco1 8c16ff75bc7d6180985e9463a9cff0e5 [0,0,0,0,0,1|2,0,1]=4 373 B11R1.30 COCN(C)Cc1ccco1 9afefe6cd7805d50a849f951942e48c7 [0,0,0,0,0,1|3,0,0]=4 374 B11R1.30 CSCC(=O)Nc1cccs1 e1a3f9b8048fdfd149d89cad894707fd [0,0,0,0,0,1|1,1,0]=3 375 B11R1.30 CSCC(=O)Nc1ccno1 996a28654f8080317ce92cab5c755621 [0,0,0,0,0,1|2,0,0]=3 376 B11R1.30 CSCC(=O)Nc1ccns1 2f1c155229f70ab039e8cc2d6001117d [0,0,0,0,0,1|2,1,0]=4 377 B11R1.30 CSCC(=O)Nc1cscn1 f3c0025058aa57f0be6c0a74378f61ce [0,0,0,0,0,1|3,0,0]=4 378 B11R1.30 CSCC(=O)Nc1ncco1 c8b2ad450085c7437a61184460ef6a9d [0,0,0,0,0,1|2,0,0]=3 379 B11R1.30 CSCC(=O)Nc1nccs1 52356853a7cd551e4e3bfb71bc0668ab [0,0,0,0,0,1|2,1,0]=4 380 B11R1.30 CSCN(C)Cc1ccco1 947f2f8ea728cb9a65f44fa520372f3e [0,0,0,0,0,1|3,0,0]=4 381 B11R1.30 N#CCC(=O)Nc1cccs1 060669175f87ed90898e65fb70f04276 [0,0,0,0,0,1|1,1,1]=4 382 B11R1.30 N#CCC(=O)Nc1ccno1 8e0885a8bd4a7e29a242dbde31bad5ed [0,0,0,0,0,1|2,0,1]=4 383 B11R1.30 N#CCC(=O)Nc1ncco1 6a21d85c59cb1c08107b551b69b7e01f [0,0,0,0,0,1|2,0,1]=4 384 B11R1.30 N#CNC(=O)Cc1ccco1 f3f458c70b7fb4d402e374bc030691c5 [0,0,0,0,0,1|2,0,1]=4 385 B11R1.30 NOCC(=O)Nc1cccs1 8ecbdf4e81e0c77649ab5baf7f9d4387 [0,0,0,0,0,1|2,1,0]=4 386 B11R1.30 NOCC(=O)Nc1ccno1 59d1961883949b7f16c8bed4687a31e4 [0,0,0,0,0,1|3,0,0]=4 387 B11R1.30 NOCC(=O)Nc1ncco1 8548c22e6381cec66f9beeefed8c4def [0,0,0,0,0,1|3,0,0]=4 388 B11R1.30 O=C(CCF)Nc1cccs1 11954c15d658b87518dea01d2ae651db [0,0,0,0,0,1|1,1,0]=3 389 B11R1.30 O=C(CCF)Nc1ccno1 e22d96e894f5d79ed8dc9fd1153d47ca [0,0,0,0,0,1|2,0,0]=3 390 B11R1.30 O=C(CCF)Nc1ccns1 4e347d1ee8b939bd881efa8130f4efc2 [0,0,0,0,0,1|2,1,0]=4 391 B11R1.30 O=C(CCF)Nc1ccsc1 e30fad9bf17e2fc4a86ae350ea0815cb [0,0,0,0,0,1|3,0,0]=4 392 B11R1.30 O=C(CCF)Nc1cncs1 93545efbaf1a92d9dfebedaead28429d [0,0,0,0,0,1|2,1,0]=4 393 B11R1.30 O=C(CCF)Nc1cocn1 d519f93fc72812e956d059a528546c0c [0,0,0,0,0,1|3,0,0]=4 394 B11R1.30 O=C(CCF)Nc1cscn1 e4ac61562b08bb3383c3d26d8345a9d6 [0,0,0,0,0,1|3,0,0]=4 395 B11R1.30 O=C(CCF)Nc1ncco1 ffe859ce8f1fb4360f6961260caa34da [0,0,0,0,0,1|2,0,0]=3 396 B11R1.30 O=C(CCF)Nc1nccs1 346a84ecc1270eecd7d1c69c2af17c8e [0,0,0,0,0,1|2,1,0]=4 397 B11R1.30 O=C(CCO)Nc1cccs1 4ef96122338343ae270a589c2d6406df [0,0,0,0,0,1|1,1,0]=3 398 B11R1.30 O=C(CCO)Nc1ccno1 55b18418609412433654af277aed69df [0,0,0,0,0,1|2,0,0]=3 399 B11R1.30 O=C(CCO)Nc1ccns1 f062cb02f326fdfea808a5f5485fcbc8 [0,0,0,0,0,1|2,1,0]=4 400 B11R1.30 O=C(CCO)Nc1ccsc1 29784099ad894e9257e73c88fcb6c2a5 [0,0,0,0,0,1|3,0,0]=4 401 B11R1.30 O=C(CCO)Nc1cocn1 cd9239645089c0b93ab2aca5d31ffc7d [0,0,0,0,0,1|3,0,0]=4 402 B11R1.30 O=C(CCO)Nc1cscn1 3b1337719d6a51011750b81cf94bca27 [0,0,0,0,0,1|3,0,0]=4 403 B11R1.30 O=C(CCO)Nc1ncco1 7accfcc603de6dacaef9ad6baf19059d [0,0,0,0,0,1|2,0,0]=3 404 B11R1.30 O=C(CCO)Nc1nccs1 11a4d6229bc814ad5d2559287550ca90 [0,0,0,0,0,1|2,1,0]=4 405 B11R1.30 O=C(CCS)Nc1cccs1 fdfbda4bb4d6e87c2bf10819d1387b88 [0,0,0,0,0,1|1,1,0]=3 406 B11R1.30 O=C(CCS)Nc1ccno1 9d352e661b6f519d371e990a53236037 [0,0,0,0,0,1|2,0,0]=3 407 B11R1.30 O=C(CCS)Nc1ccns1 9bbbd567b3e0eb3eed39a9a7c027e2b2 [0,0,0,0,0,1|2,1,0]=4 408 B11R1.30 O=C(CCS)Nc1ccsc1 50880190e984faa3ba7d3e18ebe774a3 [0,0,0,0,0,1|3,0,0]=4 409 B11R1.30 O=C(CCS)Nc1cncs1 8a72e3a0f6253d574890b2c2dcd36a49 [0,0,0,0,0,1|2,1,0]=4 410 B11R1.30 O=C(CCS)Nc1cocn1 f31f1a51bcf957dbcdc2c042b16e667f [0,0,0,0,0,1|3,0,0]=4 411 B11R1.30 O=C(CCS)Nc1cscn1 040a2625c56144e1f3cff8e021bcfef8 [0,0,0,0,0,1|3,0,0]=4 412 B11R1.30 O=C(CCS)Nc1ncco1 f18dc92005149a12b5b786d307f31b3a [0,0,0,0,0,1|2,0,0]=3 413 B11R1.30 O=C(CCS)Nc1nccs1 66ba860a71a3399df7961303f147e958 [0,0,0,0,0,1|2,1,0]=4 414 B11R1.30 O=CCC(=O)Nc1cccs1 aeae37596cd339d6deff0f806e2094ef [0,0,0,0,0,1|1,1,1]=4 415 B11R1.30 O=CCC(=O)Nc1ccno1 8cd5470b19b08ebc1944a71e1bd68b59 [0,0,0,0,0,1|2,0,1]=4 416 B11R1.30 O=CCC(=O)Nc1ncco1 0205ae2726a209552d24d926294a50fc [0,0,0,0,0,1|2,0,1]=4 417 B8R0.1 C=CCOC(=S)CCC 0e2b2dcb05bb2d160479b58f052e05d1 [1,0,1,0,0,0|0,1,1]=4 418 B8R0.6 C=CCOCC(=O)CC 048d3235ebc96f1d1022e6a0b9b0b262 [1,0,1,0,0,0|0,0,2]=4 419 B8R1.8 CCNc1cccs1 f92887221cdfe270aa88f70a5b6538c3 [2,0,0,0,0,0|1,1,0]=4 420 B8R1.8 CCNc1ccno1 c991bcc5829788fabf092ecd54bd220e [2,0,0,0,0,0|2,0,0]=4 421 B8R1.8 CCNc1ncco1 9fef4809a1ac3d1c666a8faacb65e06b [2,0,0,0,0,0|2,0,0]=4 422 B8R1.8 CCOc1ccco1 e09af78840aa7c50339c3ce236ba2f4c [2,0,0,0,0,0|1,0,0]=3 423 B8R1.8 CCOc1cccs1 d21292a98c2ee3c1ea9b8b00e074b6ef [2,0,0,0,0,0|1,1,0]=4 424 B8R1.8 FCOc1ccco1 51ab89c071216f5af135b7cd9684c569 [2,0,0,0,0,0|2,0,0]=4 425 B10R0.1 C/C=C/COCC(=O)CCC e705dd41e10e42b7866df48e1ca92157 [0,1,1,0,0,0|0,0,2]=4 426 B10R0.1 C/C=C\COCC(=O)CCC 8bf6bfccd0bb73cc8d5f50cefcee622b [0,1,1,0,0,0|0,0,2]=4 427 B10R0.1 C=CCCOCC(=O)CCC 5fa19dac02f4734efaaffc6177d1b445 [0,1,1,0,0,0|0,0,2]=4 428 B10R0.1 CC=CCOCC(=O)CCC 8f6ba979a3d95982df241a72b750c80a [0,1,1,0,0,0|0,0,2]=4 429 B10R0.1 CCCC(=O)COC/C=C/Cl d6024e8bb75eb3c96c9b440758570c27 [0,1,1,0,0,0|0,0,2]=4 430 B10R0.1 CCCC(=O)COCC=CCl 4042f5df871c9edf6b768688a3fe68a2 [0,1,1,0,0,0|0,0,2]=4 431 B10R0.3 C=C(Br)COCC(=O)CCC 327bb6a009ec6240cbe8e0cf158177f1 [0,1,1,0,0,0|0,0,2]=4 432 B10R0.3 C=C(C)COCC(=O)CCC 003d5185bb33c292b7a4e452aacb00fa [0,1,1,0,0,0|0,0,2]=4 433 B10R0.3 C=C(Cl)COCC(=O)CCC 27c159dab904bd5022803062cae6b987 [0,1,1,0,0,0|0,0,2]=4 434 B10R0.3 C=C(F)COCC(=O)CCC 268b5485d9107d8a13cfc3981ea6c5da [0,1,1,0,0,0|0,0,2]=4 435 B10R0.3 C=C(I)COCC(=O)CCC e868f50dcef09deea38caae6e82f32a8 [0,1,1,0,0,0|0,0,2]=4 436 B10R0.83 C/C=C/C=C/C(=O)N(C)CC 471a0d58a51b382ed416a23b109d1c8f [0,1,1,0,0,0|2,0,0]=4 437 B10R0.83 CC=CC=CC(=O)N(C)CC facbc74539ef53a4424148485c2ca955 [0,1,1,0,0,0|2,0,0]=4 438 B10R0.91 C/C=C/C=C/C(=O)NCCBr 6bcab68acb8c4edf7b093b5044f15698 [0,1,1,0,0,0|2,0,0]=4 439 B10R0.91 C/C=C/C=C/C(=O)NCCC ad97c5263faed79ca3de2c9d7c98b0d9 [0,1,1,0,0,0|1,0,0]=3 440 B10R0.91 C/C=C/C=C/C(=O)NCCF 672197f2e6062847e4ee222200556e58 [0,1,1,0,0,0|2,0,0]=4 441 B10R0.91 C/C=C/C=C/C(=O)NCCI 7e0a02b5008a2de178d20ac4b9213e3e [0,1,1,0,0,0|2,0,0]=4 442 B10R0.91 C/C=C/C=C/C(=O)NCCO 464657f9c4290fc237630cea8fd1a8bb [0,1,1,0,0,0|2,0,0]=4 443 B10R0.91 C/C=C/C=C/C(=O)NCCS 7279df4d6ac23fd18f267661c0b29eea [0,1,1,0,0,0|2,0,0]=4 444 B10R0.91 C=CCOCC(=O)NCCC 669229a3d827ee8564ec608831f19999 [0,1,1,0,0,0|0,0,2]=4 445 B10R0.91 CC=CC=CC(=O)NCCBr 42df71bfe0eb4ed7e5bc3ca7375ae38d [0,1,1,0,0,0|2,0,0]=4 446 B10R0.91 CC=CC=CC(=O)NCCC 61b6faa146a00049a7dd6f7decc2bf97 [0,1,1,0,0,0|1,0,0]=3 447 B10R0.91 CC=CC=CC(=O)NCCF b11e65f2c7e3eedf5c00ebc9bf61a452 [0,1,1,0,0,0|2,0,0]=4 448 B10R0.91 CC=CC=CC(=O)NCCI 335e0338bfc870dee0fadd39dd5677c0 [0,1,1,0,0,0|2,0,0]=4 449 B10R0.91 CC=CC=CC(=O)NCCO 9281d1ed962b74e12d40a1a0403bdf11 [0,1,1,0,0,0|2,0,0]=4 450 B10R0.91 CC=CC=CC(=O)NCCS e31a0bea2a84819d4e310b0232568dd7 [0,1,1,0,0,0|2,0,0]=4 451 B10R0.108 C=C(C=O)OCC(=O)CCC 3f3d184dd5c708f9c60e497eb3b0a367 [0,1,1,0,0,0|1,0,1]=4 452 B10R0.108 C=CC(C)OCC(=O)CCC bb9528ba6a8d0a59b62b52530b6b5307 [0,1,1,0,0,0|0,0,2]=4 453 B10R0.108 C=C[C@H](C)OCC(=O)CCC f2a9b73dbda340571a82d79b5c123eb4 [0,1,1,0,0,0|0,0,2]=4 454 B10R1.14 CCN(C)c1ccc(o1)C 756b5c8d5f9750ba36120da486b7ea4d [1,1,0,0,0,0|2,0,0]=4 455 B10R1.16 CCCNc1cc(=O)[nH]o1 5fa93b769c1ecc30b2f5ef33a751badd [1,1,0,0,0,0|2,0,0]=4 456 B10R1.16 CCCNc1cc(no1)C 4cd898bb0eb743cdc1e7bd4a070e09ef [1,1,0,0,0,0|2,0,0]=4 457 B10R1.16 CCCNc1ccc(o1)C c15cbb66fc0595155ee50bd4d65f2e30 [1,1,0,0,0,0|1,0,0]=3 458 B10R1.16 CCCNc1ccc(s1)Br d67cb3d457fa6cf80e3e2c59482f42e5 [1,1,0,0,0,0|1,1,0]=4 459 B10R1.16 CCCNc1ccc(s1)C 4656c1aca212ab18a8f6085aa267e6ec [1,1,0,0,0,0|1,1,0]=4 460 B10R1.16 CCCNc1ccc(s1)F 7a6964caf7bc896119cb23f5e06f80e0 [1,1,0,0,0,0|1,1,0]=4 461 B10R1.16 CCCNc1cnc(o1)C e9243ed0d572344f2bc937094c1fe72b [1,1,0,0,0,0|2,0,0]=4 462 B10R1.16 CCCNc1nc(co1)Br 7994e5170c711d603d3c5b98e0d26e2d [1,1,0,0,0,0|2,0,0]=4 463 B10R1.16 CCCNc1nc(co1)C e12fce9116fee8cecf7ae9d80faef79f [1,1,0,0,0,0|2,0,0]=4 464 B10R1.16 CCCNc1ncc(o1)C c643b0d64a3bb2545e792cc7086db40c [1,1,0,0,0,0|2,0,0]=4 465 B10R1.16 CCCOC1C=CC(=O)O1 ec85feedde51258c7e7f449139265d27 [1,1,0,0,0,0|1,0,1]=4 466 B10R1.16 CCCOc1cc(cs1)C 6af96983f61620485453ee6cff89eec5 [1,1,0,0,0,0|1,1,0]=4 467 B10R1.16 CCCOc1ccc(s1)Br 047f3dff24e1e58ec72e6e3655f722cc [1,1,0,0,0,0|1,1,0]=4 468 B10R1.16 CCNCc1cc(co1)C 58c09494a030fd296b651bd5ed8df90b [1,1,0,0,0,0|1,0,1]=4 469 B10R1.16 CCNCc1ccc(o1)Br bc69cf8af8c6eedf459de13024a20023 [1,1,0,0,0,0|1,0,1]=4 470 B10R1.16 CCNCc1ccc(o1)C 16b5b202870b0088f6ce61a25808ad7d [1,1,0,0,0,0|1,0,1]=4 471 B10R1.16 CCOCc1cc(co1)Br 488d484e666bbb5ae0db450dbc11796e [1,1,0,0,0,0|1,0,1]=4 472 B10R1.16 CCOCc1ccc(o1)Br 9782731d1ae87bec8e3774d5ccde32bc [1,1,0,0,0,0|1,0,1]=4 473 B10R1.16 CCOCc1ccc(o1)C 7cf8410aa18fcbf976c33b2a6864e0bc [1,1,0,0,0,0|1,0,1]=4 474 B10R1.16 Cc1ccc(o1)NCCBr 94c6919c892b86247ed83a8027489e92 [1,1,0,0,0,0|2,0,0]=4 475 B10R1.16 Cc1ccc(o1)NCCF 5157fb3f16887366e8eb971894b56115 [1,1,0,0,0,0|2,0,0]=4 476 B10R1.16 Cc1ccc(o1)NCCI f698b019425ec2fdad0493a890dbe883 [1,1,0,0,0,0|2,0,0]=4 477 B10R1.16 Cc1ccc(o1)NCCO 0ad3b90a9625fc21f82fe655b7cdc742 [1,1,0,0,0,0|2,0,0]=4 478 B10R1.16 Cc1ccc(o1)NCCS 5aa97c71f850e633340c564b9c419f25 [1,1,0,0,0,0|2,0,0]=4 479 B10R1.16 Cc1coc(c1)NCCS 36501a2f5e4e2614dda1f50652f09f1e [1,1,0,0,0,0|2,0,0]=4 480 B10R1.21 BrCCNCc1ccco1 8c5e0347db7e3491c86fcbf95c4451a4 [1,1,0,0,0,0|1,0,1]=4 481 B10R1.21 C#CCCOc1ccco1 b5d30f180675da8f0d260f78d02e291d [1,1,0,0,0,0|1,0,1]=4 482 B10R1.21 C/C=C/COc1ccco1 49607601c603ccca16018edf0f4cebb7 [1,1,0,0,0,0|1,0,1]=4 483 B10R1.21 C/C=C\COc1ccco1 081cefe6a82f756391efccda3cbbafc4 [1,1,0,0,0,0|1,0,1]=4 484 B10R1.21 C=CCCNc1ccco1 2dc99c635e0fd320f4473dac533cdebc [1,1,0,0,0,0|1,0,1]=4 485 B10R1.21 C=CCCOc1ccco1 c4a6b7713487c646ea5190de2827309c [1,1,0,0,0,0|1,0,1]=4 486 B10R1.21 CC=CCNc1ccco1 8978ca9f1a5aa01b20c5fc0ef6bef405 [1,1,0,0,0,0|1,0,1]=4 487 B10R1.21 CCCCNc1ccco1 59676670e7fa0c04d4e8b3beb240e350 [1,1,0,0,0,0|0,0,1]=3 488 B10R1.21 CCCCNc1cccs1 d0e1e22576c5f6dbd0951ff409f4ab02 [1,1,0,0,0,0|0,1,1]=4 489 B10R1.21 CCCCNc1ccno1 6ce6fff15c53db9398481797e3154d0a [1,1,0,0,0,0|1,0,1]=4 490 B10R1.21 CCCCNc1ncco1 2f1cff45c72424f1dd0699663acbed99 [1,1,0,0,0,0|1,0,1]=4 491 B10R1.21 CCCCOc1ccco1 69ea1c44ba0b20cb45990b8719447407 [1,1,0,0,0,0|0,0,1]=3 492 B10R1.21 CCCCOc1cccs1 d524184ff2bb44cbc7ae5ab279df4ef4 [1,1,0,0,0,0|0,1,1]=4 493 B10R1.21 CCCNCc1ccc[nH]1 389a419bddfc3ec4dd8aa13cc5a47be3 [1,1,0,0,0,0|1,0,1]=4 494 B10R1.21 CCCNCc1ccco1 de6afd493c9d06f3af6e49358fd71eee [1,1,0,0,0,0|0,0,1]=3 495 B10R1.21 CCCNCc1cccs1 a6b46c4b7b3d26eb24d84a1cd913df52 [1,1,0,0,0,0|0,1,1]=4 496 B10R1.21 CCCNCc1ccno1 f5be311df91e7b627912dde86779143b [1,1,0,0,0,0|1,0,1]=4 497 B10R1.21 CCCNCc1cnco1 1b5514d0e1b9a006b09cdecb0e0b1d25 [1,1,0,0,0,0|1,0,1]=4 498 B10R1.21 CCCNCc1ncco1 1bbc962d75b7819f240f6938a75188ec [1,1,0,0,0,0|1,0,1]=4 499 B10R1.21 CCCOCc1ccc[nH]1 cd7c6439400e4582d3103a4de108225f [1,1,0,0,0,0|1,0,1]=4 500 B10R1.21 CCCOCc1ccco1 68fddc7fa2e66c072844daffb93c2167 [1,1,0,0,0,0|0,0,1]=3 501 B10R1.21 CCCOCc1cccs1 a6f03adf2a826c0d56d546cb620a5207 [1,1,0,0,0,0|0,1,1]=4 502 B10R1.21 CCCOCc1ccno1 870c1a0078df086a024012effc01a45b [1,1,0,0,0,0|1,0,1]=4 503 B10R1.21 CCCOCc1cnco1 9d46dd82e2c335d0dac1e9a70ff331b6 [1,1,0,0,0,0|1,0,1]=4 504 B10R1.21 CCCOCc1ncco1 71ad9c831053756f6e2d91b3d3cccbb9 [1,1,0,0,0,0|1,0,1]=4 505 B10R1.21 CCNCCc1ccc[nH]1 8213ac8e4b9d94b1198a75f34bf94d78 [1,1,0,0,0,0|1,0,1]=4 506 B10R1.21 CCNCCc1ccco1 1ad917faeddbc2d8d316341d3d41b62a [1,1,0,0,0,0|0,0,1]=3 507 B10R1.21 CCNCCc1cccs1 f1bb449dfb857924f62fa7b623b4a581 [1,1,0,0,0,0|0,1,1]=4 508 B10R1.21 CCOCCc1ccc[nH]1 8ef61c623e3daff29562378e78c2e3e6 [1,1,0,0,0,0|1,0,1]=4 509 B10R1.21 CCOCCc1ccco1 bed872e177b1646746b6cb5e6f761166 [1,1,0,0,0,0|0,0,1]=3 510 B10R1.21 CCOCCc1cccs1 acaaec43fbd0c8ea9b4724789b403b3c [1,1,0,0,0,0|0,1,1]=4 511 B10R1.21 CCOCNc1cccs1 fdc9729af7149ad96898b9c1e1995195 [1,1,0,0,0,0|1,1,0]=4 512 B10R1.21 CCOCNc1ccno1 529b44871c8dfd34bf68b0175f50e619 [1,1,0,0,0,0|2,0,0]=4 513 B10R1.21 CCOCNc1ncco1 250f1feeca8dbd10b67fead60ad657bd [1,1,0,0,0,0|2,0,0]=4 514 B10R1.21 CCOCOc1ccco1 50027f11f0ebc3bb1d65662891127453 [1,1,0,0,0,0|1,0,0]=3 515 B10R1.21 CCOCOc1cccs1 f1905e8f0a82ed892bc2c970faf9dff2 [1,1,0,0,0,0|1,1,0]=4 516 B10R1.21 COCCNc1ccco1 6446037fd2435f1d5d632a2ea17e6335 [1,1,0,0,0,0|1,0,0]=3 517 B10R1.21 COCCNc1cccs1 4679346317f357faed462ffad2613f4e [1,1,0,0,0,0|1,1,0]=4 518 B10R1.21 COCCNc1ccno1 adedf48200497bd8ece47a916d2f6e29 [1,1,0,0,0,0|2,0,0]=4 519 B10R1.21 COCCNc1ncco1 27ef3b5cdb6ddb84737afcdb0a8564a1 [1,1,0,0,0,0|2,0,0]=4 520 B10R1.21 COCCOc1ccco1 7edab0eeb45cb66520c905082a1511e1 [1,1,0,0,0,0|1,0,0]=3 521 B10R1.21 COCCOc1cccs1 376aff47162023b820da889700ce60b2 [1,1,0,0,0,0|1,1,0]=4 522 B10R1.21 COCNCc1ccco1 ab0a134b649505be2ef4a9f4f282a23e [1,1,0,0,0,0|1,0,1]=4 523 B10R1.21 COCOCc1ccco1 529eee71e246af8b856ae502514aa81f [1,1,0,0,0,0|1,0,1]=4 524 B10R1.21 CSCCNc1ccco1 16997d2db32ec42d1356855cff785f3f [1,1,0,0,0,0|1,0,0]=3 525 B10R1.21 CSCCNc1cccs1 01d49ac6e99e11e56f4bd6fc081c9e5f [1,1,0,0,0,0|1,1,0]=4 526 B10R1.21 CSCCNc1ccno1 b1c7208426eeceedc2a03beed8da02a3 [1,1,0,0,0,0|2,0,0]=4 527 B10R1.21 CSCCNc1ncco1 8311037a857d62fbb40e2a92bfa36330 [1,1,0,0,0,0|2,0,0]=4 528 B10R1.21 CSCCOc1ccco1 5259ce914bbcf53da4292d4e69a6b1eb [1,1,0,0,0,0|1,0,0]=3 529 B10R1.21 CSCCOc1cccs1 7150bd7e2c4ada0071b0350ef4644150 [1,1,0,0,0,0|1,1,0]=4 530 B10R1.21 CSCNCc1ccco1 45b3d80d16b3c23ee837399e5f9cf973 [1,1,0,0,0,0|1,0,1]=4 531 B10R1.21 CSCOCc1ccco1 d82d2c3aff1c65cd9f5801d7e0281663 [1,1,0,0,0,0|1,0,1]=4 532 B10R1.21 ClCCCNc1ccco1 a6f130c8c0731f6a37b1f6ee951076be [1,1,0,0,0,0|1,0,0]=3 533 B10R1.21 ClCCCNc1cccs1 fbce81ff25a9f7a9cf998778e28fb8cd [1,1,0,0,0,0|1,1,0]=4 534 B10R1.21 ClCCCNc1ncco1 4017e4f58a0e4152e4ac61177c419a8f [1,1,0,0,0,0|2,0,0]=4 535 B10R1.21 FCCCNc1cccs1 31ac9134e6d62b97401471d4ea45a70d [1,1,0,0,0,0|1,1,0]=4 536 B10R1.21 FCCCNc1ccno1 eb42f09138b283fba82dfacba41558ac [1,1,0,0,0,0|2,0,0]=4 537 B10R1.21 FCCCNc1ncco1 9e3bd4cf48e7c0fa13708268fb89b2cb [1,1,0,0,0,0|2,0,0]=4 538 B10R1.21 FCCCOc1ccco1 51fe91774b9f4c69189217cc23692685 [1,1,0,0,0,0|1,0,0]=3 539 B10R1.21 FCCCOc1cccs1 8b580ea4e86b76b5b7438bc561b77a9d [1,1,0,0,0,0|1,1,0]=4 540 B10R1.21 FCCNCc1ccco1 eb7e2df8659dc52d8124585605ffbbe6 [1,1,0,0,0,0|1,0,1]=4 541 B10R1.21 FCCOCc1ccco1 967242227467dd8667ea4ec0e6be7d8a [1,1,0,0,0,0|1,0,1]=4 542 B10R1.21 FCNCCc1ccco1 c274e2fe40f74a5250d921378d833f9d [1,1,0,0,0,0|1,0,1]=4 543 B10R1.21 FCOCCc1ccco1 b932bcc9cfe884b19a450cd3b0242ac1 [1,1,0,0,0,0|1,0,1]=4 544 B10R1.21 ICCNCc1ccco1 bd983b5b71179f97af0b655fa1b40bbd [1,1,0,0,0,0|1,0,1]=4 545 B10R1.21 N#CCCOc1ccco1 8ce5c34beea847e702c4d0fddf65978a [1,1,0,0,0,0|1,0,1]=4 546 B10R1.21 NOCCNc1ccco1 982512c5e2d50fb1ae411cdaf4bf2093 [1,1,0,0,0,0|2,0,0]=4 547 B10R1.21 O=CCCOc1ccco1 29d0eddc230514e8e3bb8cacc9923f78 [1,1,0,0,0,0|1,0,1]=4 548 B10R1.21 OCCCNc1ccco1 4d624025932b70b0c8be48d0b7350012 [1,1,0,0,0,0|1,0,0]=3 549 B10R1.21 OCCCNc1cccs1 55eef094d687f19b3a4b8d33bdca1f77 [1,1,0,0,0,0|1,1,0]=4 550 B10R1.21 OCCCNc1ccno1 635acccfbfa77aa72ef18cbdba2e4a73 [1,1,0,0,0,0|2,0,0]=4 551 B10R1.21 OCCCNc1ncco1 9df59432fe5a095679b4136a055b46e3 [1,1,0,0,0,0|2,0,0]=4 552 B10R1.21 OCCNCc1ccco1 507ba03e75d5eda37d046de9368bba24 [1,1,0,0,0,0|1,0,1]=4 553 B10R1.21 OCNCCc1ccco1 a517e208412caca7f657ad953f1e4b62 [1,1,0,0,0,0|1,0,1]=4 554 B10R1.21 SCCCNc1cccs1 b2bd8dd51f559a41d4ab60443e74a227 [1,1,0,0,0,0|1,1,0]=4 555 B10R1.21 SCCCNc1ccno1 8520663ad0462ac5a3f95a82af76ece3 [1,1,0,0,0,0|2,0,0]=4 556 B10R1.21 SCCCNc1ncco1 03f06c346af623c1d1d37064182cc0c3 [1,1,0,0,0,0|2,0,0]=4 557 B10R1.21 SCCCOc1ccco1 22a1a116d80173010e46f2c2d267ec66 [1,1,0,0,0,0|1,0,0]=3 558 B10R1.21 SCCCOc1cccs1 6f93465f61b75a0424c0871f86fddc3d [1,1,0,0,0,0|1,1,0]=4 559 B10R1.21 SCCNCc1ccco1 4422157518229a6c95ffdca9589320be [1,1,0,0,0,0|1,0,1]=4 560 B10R1.21 SCCOCc1ccco1 eb21d9a30652a8f888082605ebcb92a4 [1,1,0,0,0,0|1,0,1]=4 561 B10R1.27 CCC(C)Nc1ccno1 62da887b146173e61776cb28fb7d4be3 [1,1,0,0,0,0|2,0,0]=4 562 B10R1.27 CCC(C)Nc1ncco1 dd1a41bdc7d3616e95ccaa3968dfc430 [1,1,0,0,0,0|2,0,0]=4 563 B10R1.27 CCC(C)Oc1ccco1 d0beb7fde6d54ae64363161825c47c35 [1,1,0,0,0,0|1,0,0]=3 564 B10R1.27 CCC(C)Oc1cccs1 3541fcdf455861cca5d3a82e83b56fc2 [1,1,0,0,0,0|1,1,0]=4 565 B10R1.27 CCN(C)Cc1ccco1 76ba84af7af62748e537e57011bb5102 [1,1,0,0,0,0|1,0,1]=4 566 B10R1.29 CCCNc1oncc1C 9cdd8f4b3531301a9995572a5e54d3e0 [1,1,0,0,0,0|2,0,0]=4 567 B10R1.29 CCCOc1cccn1C 77a3a251f2ad5d72ac49e0d4902500cc [1,1,0,0,0,0|2,0,0]=4 568 B10R1.29 CCNCc1occc1C 9ef238004378a81a0f74d5a2034266a3 [1,1,0,0,0,0|1,0,1]=4 569 B10R1.29 CCOCc1occc1Br 091ac4b360c592cc4f7db4a049ac0a99 [1,1,0,0,0,0|1,0,1]=4 570 B10R1.29 CCOCc1occc1C e7df444d3db70c6d7ce1aeb39d71e1ae [1,1,0,0,0,0|1,0,1]=4 571 B10R1.66 C=C(C)COc1ccco1 b3f905ff0261eb167bbdc638ad76153d [1,1,0,0,0,0|1,0,1]=4 572 B10R1.66 CC(=O)CNc1ccco1 a59c8e4ff03257d947231d2e71f4d6c9 [1,1,0,0,0,0|1,0,1]=4 573 B10R1.66 CC(C)CNc1cccs1 67dcb3c9cca955e96d2162e1f77ad9d3 [1,1,0,0,0,0|1,1,0]=4 574 B10R1.66 CC(C)CNc1ccno1 d420346ba8917b35352d6152b17bb83c [1,1,0,0,0,0|2,0,0]=4 575 B10R1.66 CC(C)CNc1ncco1 8259e209777df60cb7a7ca8861c36e93 [1,1,0,0,0,0|2,0,0]=4 576 B10R1.66 CC(C)COc1ccco1 9a23c54afcd88900faea26a95d44c122 [1,1,0,0,0,0|1,0,0]=3 577 B10R1.66 CC(C)COc1cccs1 c3a2875732f90e39bc97fc0388c7ee98 [1,1,0,0,0,0|1,1,0]=4 578 B10R1.66 CC(C)NCc1ccco1 e2693f4935da627db7fd450f0265afc1 [1,1,0,0,0,0|1,0,1]=4 579 B10R1.66 CC(C)OCc1ccco1 e50c3d4d785de91a25589c3a50142414 [1,1,0,0,0,0|1,0,1]=4 580 B10R1.66 CC(O)CNc1cccs1 60380a00e499cd7119533a566202f141 [1,1,0,0,0,0|1,1,0]=4 581 B10R1.66 CC(O)CNc1ccno1 fc2cce262388ca7c62de70655fa7a177 [1,1,0,0,0,0|2,0,0]=4 582 B10R1.66 CC(O)CNc1ncco1 af71533ef2de2cec8c8cad0a710fca7a [1,1,0,0,0,0|2,0,0]=4 583 B10R1.66 CN(C)COc1ccco1 c10f1087d88a829336b344ddc05de043 [1,1,0,0,0,0|2,0,0]=4 584 B10R1.66 C[C@@H](O)CNc1ccno1 f3d1a2517810a4c57fee3d52d5b1f63a [1,1,0,0,0,0|2,0,0]=4 585 B10R1.66 C[C@H](O)CNc1cccs1 50770c2e03ac9b3dc06cb895694b0084 [1,1,0,0,0,0|1,1,0]=4 586 B10R1.66 C[C@H](O)CNc1ccno1 b567b272d6456f38b0c757b753177355 [1,1,0,0,0,0|2,0,0]=4 587 B10R1.66 C[C@H](O)CNc1ncco1 569a0fbf6aed9f8a7593b5734237721d [1,1,0,0,0,0|2,0,0]=4 588 B10R1.66 FC(F)COc1ccco1 6214124183545eb6ba23a3439c8fd392 [1,1,0,0,0,0|2,0,0]=4 589 B10R1.178 CCCNC(=O)C1=CCC1 c253539c34fd2323a41369ce905637b3 [0,1,0,0,1,0|0,0,2]=4 590 B12R1.3 CCCN(C=O)c1ccccc1 dd84a45c645f807d0c332ade8b13b5fc [0,1,0,0,0,1|2,0,0]=4 591 B12R1.30 C=C(COCC)c1ccccc1 e1174170fb735530ed2c07509ad0f64f [0,1,0,0,0,1|2,0,0]=4 592 B12R1.30 C=C(COCC)c1ccccn1 f40de5671b29d2ee57d19787ac098e3c [0,1,0,0,0,1|2,0,0]=4 593 B12R1.30 CCCNC(=O)C1=CCCCO1 700bc60cc4d8038f79e5492d9bba02a1 [0,1,0,0,0,1|0,0,2]=4 594 B12R1.30 CCCNC(=O)C1=CCCOC1 83118d7daee7b7f15be86d15e3ed7673 [0,1,0,0,0,1|0,0,2]=4 595 B12R1.30 CCCNC(=O)C1=COCCO1 d005f8507667ff275efdd5261e394756 [0,1,0,0,0,1|0,0,2]=4 596 B12R1.30 CCCNC(=O)C1CC=CCO1 7c84774ce20577ba203e6a8fe63bcd63 [0,1,0,0,0,1|0,0,2]=4 597 B12R1.30 CCCNC(=O)c1ccccc1 17d55bfe3f14492436164da3d0c80e57 [0,1,0,0,0,1|1,0,0]=3 598 B12R1.30 CCCNC(=O)c1ccccn1 aec690230b3cc4437d966e9bbbea0961 [0,1,0,0,0,1|1,0,0]=3 599 B12R1.30 CCCNC(=O)c1cccnc1 3307a345d1b42f2c6d215fbac04a28f4 [0,1,0,0,0,1|1,0,0]=3 600 B12R1.30 CCCNC(=O)c1cccnn1 d79db48c2c6d122ffd7c966384637b17 [0,1,0,0,0,1|1,0,0]=3 601 B12R1.30 CCCNC(=O)c1ccncc1 b693f502598d6ba38fb153a0cebb0267 [0,1,0,0,0,1|1,0,0]=3 602 B12R1.30 CCCNC(=O)c1ccncn1 5af7bda680935b060506356f810ba6a3 [0,1,0,0,0,1|1,0,0]=3 603 B12R1.30 CCCNC(=O)c1ccnnc1 ae6705bfa45000d52e03ba70c4a47920 [0,1,0,0,0,1|2,0,0]=4 604 B12R1.30 CCCNC(=O)c1cnccn1 4f0c6ad8dfe097ecbbeb03521862c352 [0,1,0,0,0,1|1,0,0]=3 605 B12R1.30 CCCNC(=O)c1cncnc1 76fc5357da0c2a4f4c5ccffda41f833d [0,1,0,0,0,1|2,0,0]=4 606 B12R1.30 CCCNC(=O)c1ncccn1 021169bd43c989c25245cf4b32ed4963 [0,1,0,0,0,1|1,0,0]=3 607 B12R1.30 CCNCC(=O)c1ccccc1 120782ba76f814e86bdef32896186f08 [0,1,0,0,0,1|1,0,0]=3 608 B12R1.30 CCOCC(=O)c1ccccc1 d10a1656db1ce15c4b0e7531fc2ce741 [0,1,0,0,0,1|1,0,0]=3 609 B12R1.30 CCOCC(=O)c1ccccn1 dca3a90de36d6da1383fefa302a94393 [0,1,0,0,0,1|1,0,0]=3 610 B12R1.30 CCOCC(=O)c1cccnc1 aef6d38b572782e69bfe5e03089f6e74 [0,1,0,0,0,1|1,0,0]=3 611 B12R1.30 O=C(CNCF)c1ccccc1 b008ddf68ca6c6ff7ea37d0a87275ccd [0,1,0,0,0,1|2,0,0]=4 612 B12R1.30 O=C(CNCO)c1ccccc1 1f6ea0716cbea011ade59a66de8cfc95 [0,1,0,0,0,1|2,0,0]=4 613 B12R1.30 O=C(COCF)c1ccccc1 1a03c575b01170f76330974774069cf7 [0,1,0,0,0,1|2,0,0]=4 614 B12R1.30 O=C(COCF)c1ccccn1 d721e2a9100a69c5669bc1ea4a691a11 [0,1,0,0,0,1|2,0,0]=4 615 B12R1.30 O=C(COCF)c1cccnc1 9a8e93ae6bef36d6135782ae10319c45 [0,1,0,0,0,1|2,0,0]=4 616 B12R1.30 O=C(NCCBr)c1ccccc1 7c87b4242707692635884c6b6fcd4df1 [0,1,0,0,0,1|2,0,0]=4 617 B12R1.30 O=C(NCCBr)c1cccnc1 aa6bec5a14f064ed8104ac011e985f93 [0,1,0,0,0,1|2,0,0]=4 618 B12R1.30 O=C(NCCBr)c1ccncc1 45fdcd7147f155e6d1c4ae20d0fcf2c5 [0,1,0,0,0,1|2,0,0]=4 619 B12R1.30 O=C(NCCBr)c1ccncn1 1b9abfd90ff3e25c016d308039fb490f [0,1,0,0,0,1|2,0,0]=4 620 B12R1.30 O=C(NCCBr)c1cnccn1 dc1c0ed730ff73184b0071295546980e [0,1,0,0,0,1|2,0,0]=4 621 B12R1.30 O=C(NCCBr)c1ncccn1 77582b9e2a8d4a28ad04965b58b9b7b0 [0,1,0,0,0,1|2,0,0]=4 622 B12R1.30 O=C(NCCF)c1ccccc1 e638ffad58379d89848ae9345da1475d [0,1,0,0,0,1|2,0,0]=4 623 B12R1.30 O=C(NCCF)c1ccccn1 4a97f3ab618176ebd6ac2df3dad3b4cc [0,1,0,0,0,1|2,0,0]=4 624 B12R1.30 O=C(NCCF)c1cccnc1 9e8dfc1ff3c253e05735643d47a5382b [0,1,0,0,0,1|2,0,0]=4 625 B12R1.30 O=C(NCCF)c1cccnn1 7fb048d0bc77489d7ba47fdfd1f52d0c [0,1,0,0,0,1|2,0,0]=4 626 B12R1.30 O=C(NCCF)c1ccncc1 fbe99a915ead568fcaa295143ee2ec0a [0,1,0,0,0,1|2,0,0]=4 627 B12R1.30 O=C(NCCF)c1ccncn1 6dcec3a06380a8037b0019e5be1b7c36 [0,1,0,0,0,1|2,0,0]=4 628 B12R1.30 O=C(NCCF)c1cnccn1 3f5ca43d495ce3de27a1429bcf06a016 [0,1,0,0,0,1|2,0,0]=4 629 B12R1.30 O=C(NCCF)c1ncccn1 232b0eb2b3211aab0bc8d7e9762bbb54 [0,1,0,0,0,1|2,0,0]=4 630 B12R1.30 O=C(NCCI)c1ccccc1 f9da4089887204671775e3bd8a7c2cbe [0,1,0,0,0,1|2,0,0]=4 631 B12R1.30 O=C(NCCI)c1ccccn1 ac35a1f6684de8e8342f6b05eca2693e [0,1,0,0,0,1|2,0,0]=4 632 B12R1.30 O=C(NCCI)c1cccnc1 08710fab037c1782967a4b685b3a30f8 [0,1,0,0,0,1|2,0,0]=4 633 B12R1.30 O=C(NCCI)c1cccnn1 4105c854daf15cd5027ddd6f2d49e9fb [0,1,0,0,0,1|2,0,0]=4 634 B12R1.30 O=C(NCCI)c1ccncc1 6bd59a58e07204c91bdb4e1795f132a9 [0,1,0,0,0,1|2,0,0]=4 635 B12R1.30 O=C(NCCI)c1ccncn1 574af761f58400fee44b06f35ef3309c [0,1,0,0,0,1|2,0,0]=4 636 B12R1.30 O=C(NCCI)c1cnccn1 a898438d00857aa21003ec5794c5e020 [0,1,0,0,0,1|2,0,0]=4 637 B12R1.30 O=C(NCCI)c1ncccn1 938d40f63f2d881680e7e09e84d87ceb [0,1,0,0,0,1|2,0,0]=4 638 B12R1.30 O=C(NCCO)c1ccccc1 d034a5a3334662fbb2c17b7d9b92b751 [0,1,0,0,0,1|2,0,0]=4 639 B12R1.30 O=C(NCCO)c1ccccn1 a2021453263d08de31cb9c035df6984e [0,1,0,0,0,1|2,0,0]=4 640 B12R1.30 O=C(NCCO)c1cccnc1 963df7532c713daef1e9a51aa93e2bdc [0,1,0,0,0,1|2,0,0]=4 641 B12R1.30 O=C(NCCO)c1cccnn1 473ab53b8b65e7e49910df6118664e38 [0,1,0,0,0,1|2,0,0]=4 642 B12R1.30 O=C(NCCO)c1ccncc1 b9544645504fe39897f7e585f5d653d0 [0,1,0,0,0,1|2,0,0]=4 643 B12R1.30 O=C(NCCO)c1ccncn1 d28dccaf32e94ba6fbdc23052afcaca2 [0,1,0,0,0,1|2,0,0]=4 644 B12R1.30 O=C(NCCO)c1cnccn1 a11b4b760d463a45cf9827c6d1603f32 [0,1,0,0,0,1|2,0,0]=4 645 B12R1.30 O=C(NCCO)c1ncccn1 f361f4489583b245a895378e72d4b0a8 [0,1,0,0,0,1|2,0,0]=4 646 B12R1.30 O=C(NCCS)c1ccccc1 0eed267da0c4369b9172240aa5aa6bce [0,1,0,0,0,1|2,0,0]=4 647 B12R1.30 O=C(NCCS)c1ccccn1 8988f54408f8c875b5e29488d2a313be [0,1,0,0,0,1|2,0,0]=4 648 B12R1.30 O=C(NCCS)c1cccnc1 ec7c915ff51c0bb22668b31efc7b81c3 [0,1,0,0,0,1|2,0,0]=4 649 B12R1.30 O=C(NCCS)c1cccnn1 7dbf9f1d7340e3f1ffbfa7b147130608 [0,1,0,0,0,1|2,0,0]=4 650 B12R1.30 O=C(NCCS)c1ccncc1 d3a8346725379b5dc5719ca16669667b [0,1,0,0,0,1|2,0,0]=4 651 B12R1.30 O=C(NCCS)c1ccncn1 29b5b18821534c6ea1a43d4cb7c90966 [0,1,0,0,0,1|2,0,0]=4 652 B12R1.30 O=C(NCCS)c1cnccn1 e7b3250631895a78a247501f23f34df7 [0,1,0,0,0,1|2,0,0]=4 653 B12R1.30 O=C(NCCS)c1ncccn1 d69e0cf0a2d363c0661112a6662e4ab0 [0,1,0,0,0,1|2,0,0]=4 654 B12R1.34 CCN(C)C(=O)c1ccccc1 ec42892db6b620c971271a983914a3d4 [0,1,0,0,0,1|2,0,0]=4 655 B12R1.34 CCN(C)C(=O)c1ccccn1 2559b2d554e52a086f82b5c26ad39451 [0,1,0,0,0,1|2,0,0]=4 656 B12R1.34 CCN(C)C(=O)c1cccnc1 1e75e6fc9c1cd715800d0391de49d208 [0,1,0,0,0,1|2,0,0]=4 657 B12R1.34 CCN(C)C(=O)c1cccnn1 a58dd00762471a6bc04348c29184a7b1 [0,1,0,0,0,1|2,0,0]=4 658 B12R1.34 CCN(C)C(=O)c1ccncc1 8461c3bb90e4f6656b88d471e6a0f216 [0,1,0,0,0,1|2,0,0]=4 659 B12R1.34 CCN(C)C(=O)c1ccncn1 17119aa112dfff51bab5f21f08c23be9 [0,1,0,0,0,1|2,0,0]=4 660 B12R1.34 CCN(C)C(=O)c1cnccn1 df2617d8a69724ec7349543d26aa402c [0,1,0,0,0,1|2,0,0]=4 661 B12R1.34 CCN(C)C(=O)c1ncccn1 6d9eaca4126e8c27674bd35b1da5f2e9 [0,1,0,0,0,1|2,0,0]=4 662 B12R1.31 CCCC(=O)Nc1cc(no1)C f97e304f2e8a76a12d5e98dbc02b5721 [0,1,0,0,0,1|1,0,0]=3 663 B12R1.31 CCCC(=O)Nc1cc(on1)C dc2be0737b8756ccea82a039e6176815 [0,1,0,0,0,1|2,0,0]=4 664 B12R1.31 CCCC(=O)Nc1ccc(s1)Br bb5d9eb853bcfdd9630298c582a2ea81 [0,1,0,0,0,1|0,1,0]=3 665 B12R1.31 CCCC(=O)Nc1ccn(n1)C e589c87fa5d5c821beea91d33fca28c3 [0,1,0,0,0,1|2,0,0]=4 666 B12R1.31 CCCC(=O)Nc1cn(cn1)C b6468b77ac6d32317279010192f78d79 [0,1,0,0,0,1|2,0,0]=4 667 B12R1.31 CCCC(=O)Nc1cnc(o1)C 797293c4a437ef5866e07d5c80db9304 [0,1,0,0,0,1|1,0,0]=3 668 B12R1.31 CCCC(=O)Nc1cnc(s1)C 82c3879c84a49094f53402589f65a203 [0,1,0,0,0,1|1,1,0]=4 669 B12R1.31 CCCC(=O)Nc1nc(co1)C 47a43a83b3c464061907640978e1f9b8 [0,1,0,0,0,1|1,0,0]=3 670 B12R1.31 CCCC(=O)Nc1nc(cs1)Br 8d3a236af6e125e2c272e18ab946d25c [0,1,0,0,0,1|1,1,0]=4 671 B12R1.31 CCCC(=O)Nc1nc(cs1)C f6eaedf8dca30119d1eae02bda4ebd1d [0,1,0,0,0,1|1,1,0]=4 672 B12R1.31 CCCC(=O)Nc1nc(cs1)O 9d7f39de55813624d6215d58fbfb3aea [0,1,0,0,0,1|1,1,0]=4 673 B12R1.31 CCCC(=O)Nc1ncc(o1)C ee698f8570bf6c8f96b4e3ef73633c68 [0,1,0,0,0,1|1,0,0]=3 674 B12R1.31 CCCC(=O)Nc1ncc(s1)Cl 0180c75462c916a1c9e28cf5715691dd [0,1,0,0,0,1|1,1,0]=4 675 B12R1.31 CCCC(=O)Nc1nnc(o1)Br 064c3abd9c252642081aeb2e34842763 [0,1,0,0,0,1|2,0,0]=4 676 B12R1.31 CCCC(=O)Nc1nnc(o1)C c5cdc540c3862a113057bf3df173623b [0,1,0,0,0,1|2,0,0]=4 677 B12R1.31 CCCN(C)Cc1ccc(o1)C 15839253981b42133ad7172de1d73924 [0,1,0,0,0,1|2,0,0]=4 678 B12R1.31 COCC(=O)Nc1cc(no1)C 8a864340ba0f636216a1f44809ee9b66 [0,1,0,0,0,1|2,0,0]=4 679 B12R1.31 COCC(=O)Nc1ccc(s1)Br a5af277cc650506ddf975055aaa0168e [0,1,0,0,0,1|1,1,0]=4 680 B12R1.31 COCC(=O)Nc1cnc(o1)C c3319eb1dcf624fb55ef4d67df6099fb [0,1,0,0,0,1|2,0,0]=4 681 B12R1.31 COCC(=O)Nc1nc(co1)Br 51030450858f49060dea0dfe2f62a42e [0,1,0,0,0,1|2,0,0]=4 682 B12R1.31 COCC(=O)Nc1nc(co1)C 81efaec051d2d27a094e1ebd1ff129d0 [0,1,0,0,0,1|2,0,0]=4 683 B12R1.31 COCC(=O)Nc1ncc(o1)C cb1d9f992c595f9b0862039668352223 [0,1,0,0,0,1|2,0,0]=4 684 B12R1.31 CSCC(=O)Nc1cnc(o1)C 6822ffda5f2331977f75c35f8d694584 [0,1,0,0,0,1|2,0,0]=4 685 B12R1.31 CSCC(=O)Nc1nc(co1)C 61ecbbd7de382473c0b3a236ac47b3a5 [0,1,0,0,0,1|2,0,0]=4 686 B12R1.31 CSCC(=O)Nc1ncc(o1)C 13757eb6403fd67fd986df210e480a4d [0,1,0,0,0,1|2,0,0]=4 687 B12R1.31 Cc1cc(on1)NC(=O)CCF f701fc9c26a0aab967c615a9b6e56f32 [0,1,0,0,0,1|2,0,0]=4 688 B12R1.31 Cc1cc(on1)NC(=O)CCS aede52f2f29cac8f2f94be9e943550f0 [0,1,0,0,0,1|2,0,0]=4 689 B12R1.31 Cc1cnc(o1)NC(=O)CCF a0ed2d04d43b0483974b7cf1b1a8fd78 [0,1,0,0,0,1|2,0,0]=4 690 B12R1.31 Cc1cnc(o1)NC(=O)CCO be2c01c272f95f34f16d3aa3052bd475 [0,1,0,0,0,1|2,0,0]=4 691 B12R1.31 Cc1cnc(o1)NC(=O)CCS 3991c2eba2729d1939cb6e616401b2e9 [0,1,0,0,0,1|2,0,0]=4 692 B12R1.31 Cc1coc(n1)NC(=O)CCF 8551d100ed3337584a8ed911f275b9f2 [0,1,0,0,0,1|2,0,0]=4 693 B12R1.31 Cc1coc(n1)NC(=O)CCO 80f339376214f217bb368339531f0e38 [0,1,0,0,0,1|2,0,0]=4 694 B12R1.31 Cc1coc(n1)NC(=O)CCS 0972e73595cd83b66cc70eb27bf86de1 [0,1,0,0,0,1|2,0,0]=4 695 B12R1.31 Cc1ncc(o1)NC(=O)CCF c4e02ffb35fcd05122619495cabdf827 [0,1,0,0,0,1|2,0,0]=4 696 B12R1.31 Cc1ncc(o1)NC(=O)CCO e8ee24e93e067aaf31cc56bbe82cd29e [0,1,0,0,0,1|2,0,0]=4 697 B12R1.31 Cc1ncc(o1)NC(=O)CCS 5139a2e7428d4f901b39038f6ba8df61 [0,1,0,0,0,1|2,0,0]=4 698 B12R1.31 O=C(CCF)Nc1ccc(s1)Br c49ae4cf1d451cd366e468f2ca830397 [0,1,0,0,0,1|1,1,0]=4 699 B12R1.31 O=C(CCF)Nc1nc(co1)Br 16a1d7aa13d5be4c9f9ad85d9af450af [0,1,0,0,0,1|2,0,0]=4 700 B12R1.31 O=C(CCO)Nc1ccc(s1)Br 78c36e957c7344d8bf1b656032cc0830 [0,1,0,0,0,1|1,1,0]=4 701 B12R1.31 O=C(CCO)Nc1nc(co1)Br c5cb15d496238accc40df7f11d748235 [0,1,0,0,0,1|2,0,0]=4 702 B12R1.31 O=C(CCS)Nc1ccc(s1)Br 4ab30dbd9a02555086c6e54439d95d0d [0,1,0,0,0,1|1,1,0]=4 703 B12R1.31 O=C(CCS)Nc1nc(co1)Br 73b591dc31a7c7b7a0abff8d283d6c86 [0,1,0,0,0,1|2,0,0]=4 704 B12R1.53 C#CCCC(=O)Nc1cccs1 3e9829031b2696e33c5960604d036439 [0,1,0,0,0,1|0,1,1]=4 705 B12R1.53 C#CCCC(=O)Nc1ccno1 e8469b1e2d66f48cbfd387e4b4f8b701 [0,1,0,0,0,1|1,0,1]=4 706 B12R1.53 C#CCCC(=O)Nc1ncco1 032eadbf97cf4aaa15de8680a9976a3e [0,1,0,0,0,1|1,0,1]=4 707 B12R1.53 C#CCNC(=O)Cc1ccco1 eb7bc596b6b00769749add9381c76367 [0,1,0,0,0,1|0,0,2]=4 708 B12R1.53 C/C=C/CC(=O)Nc1cccs1 1f5deb1650de3e4e515687615e3c8d56 [0,1,0,0,0,1|0,1,1]=4 709 B12R1.53 C/C=C/CC(=O)Nc1ccno1 cb0dc9254d9b675dc21d0c5656ee63bb [0,1,0,0,0,1|1,0,1]=4 710 B12R1.53 C/C=C/CC(=O)Nc1ncco1 b2ac3bd2a2111d210f30b3b6077aecce [0,1,0,0,0,1|1,0,1]=4 711 B12R1.53 C=CCCC(=O)Nc1cccs1 0c57b65706ce52584cde59199c993161 [0,1,0,0,0,1|0,1,1]=4 712 B12R1.53 C=CCCC(=O)Nc1ccno1 d8cf34311505443a72425f843d969a31 [0,1,0,0,0,1|1,0,1]=4 713 B12R1.53 C=CCCC(=O)Nc1ncco1 e7dcdabb355850accf7bf0a9f13f2f0e [0,1,0,0,0,1|1,0,1]=4 714 B12R1.53 CC#CCC(=O)Nc1cccs1 a1b12e29c75f898c429e4f0af1d2f8dc [0,1,0,0,0,1|0,1,1]=4 715 B12R1.53 CC#CCC(=O)Nc1ccno1 da80fa98472bc6a0ba93823598c4c8eb [0,1,0,0,0,1|1,0,1]=4 716 B12R1.53 CC#CCC(=O)Nc1ncco1 1f174d9519a9830af853a41c40e936dc [0,1,0,0,0,1|1,0,1]=4 717 B12R1.53 CC/C=C/C(=O)Nc1cccs1 10a2b103e0fbb8eea2e684ef31f05831 [0,1,0,0,0,1|0,1,1]=4 718 B12R1.53 CC/C=C/C(=O)Nc1ccno1 0e1b3a0a73993f2ac2d49fbe3d15fc86 [0,1,0,0,0,1|1,0,1]=4 719 B12R1.53 CC/C=C/C(=O)Nc1ncco1 1c2c329b31d935ca6aaeafab81185c61 [0,1,0,0,0,1|1,0,1]=4 720 B12R1.53 CC/C=C\C(=O)Nc1cccs1 8d9b667f55e7ec59558c68a17e4cef6d [0,1,0,0,0,1|0,1,1]=4 721 B12R1.53 CC/C=C\C(=O)Nc1ccno1 336b4a4aecc0d923daeef9bb64fe25ca [0,1,0,0,0,1|1,0,1]=4 722 B12R1.53 CC/C=C\C(=O)Nc1ncco1 78c3b295cef00e5776cd9c1b590812ed [0,1,0,0,0,1|1,0,1]=4 723 B12R1.53 CCC#CC(=O)Nc1cccs1 3a633a393baf8b4b28b5338266d1b521 [0,1,0,0,0,1|0,1,1]=4 724 B12R1.53 CCC#CC(=O)Nc1ccno1 60d9a541a0d2a684e6f992df22d1c6d7 [0,1,0,0,0,1|1,0,1]=4 725 B12R1.53 CCC#CC(=O)Nc1ncco1 3bbdc58faa4748ef7e758869bee61716 [0,1,0,0,0,1|1,0,1]=4 726 B12R1.53 CCC=CC(=O)Nc1cccs1 222fc32d836deb05eafdef707530b826 [0,1,0,0,0,1|0,1,1]=4 727 B12R1.53 CCC=CC(=O)Nc1ccno1 27003d8c6e402edacfd62e9bacb8fcb0 [0,1,0,0,0,1|1,0,1]=4 728 B12R1.53 CCC=CC(=O)Nc1ncco1 d2b13039a0f41ea4d0249bcee623d3bb [0,1,0,0,0,1|1,0,1]=4 729 B12R1.53 CCCCC(=O)Nc1cccs1 494217bb90f8b6effd43236b9fa0f6e9 [0,1,0,0,0,1|0,1,0]=3 730 B12R1.53 CCCCC(=O)Nc1ccno1 981708560d3bbe0361f0bc03060871ae [0,1,0,0,0,1|1,0,0]=3 731 B12R1.53 CCCCC(=O)Nc1ccns1 04e87a05e7b581d3c9d0181a4550d289 [0,1,0,0,0,1|1,1,0]=4 732 B12R1.53 CCCCC(=O)Nc1ccon1 25ad1ea1845303bffbe40305a46d81fa [0,1,0,0,0,1|2,0,0]=4 733 B12R1.53 CCCCC(=O)Nc1ccsc1 4163960e4bc03f58d62e3c37b6d6c140 [0,1,0,0,0,1|2,0,0]=4 734 B12R1.53 CCCCC(=O)Nc1cncs1 05270bdb0198cca04f4b37f3c9b77e4a [0,1,0,0,0,1|1,1,0]=4 735 B12R1.53 CCCCC(=O)Nc1cocn1 2a02a13970bbeebc9d82fd54ff25ce55 [0,1,0,0,0,1|2,0,0]=4 736 B12R1.53 CCCCC(=O)Nc1cscn1 00244ffd60ab992e4f44d1b11ad5d84f [0,1,0,0,0,1|2,0,0]=4 737 B12R1.53 CCCCC(=O)Nc1ncco1 00ead4e7e90e5a4d9cac29a357235b6d [0,1,0,0,0,1|1,0,0]=3 738 B12R1.53 CCCCC(=O)Nc1nccs1 611ef451e071e78a062a2c8ba0e41edc [0,1,0,0,0,1|1,1,0]=4 739 B12R1.53 CCCCC(=O)Nc1nnco1 ccc392610ecc282665c78835e412a236 [0,1,0,0,0,1|2,0,0]=4 740 B12R1.53 CCCCC(C)Oc1ccco1 37f4ae59a8501011f3ce808962ff21c7 [0,1,0,0,0,1|1,0,1]=4 741 B12R1.53 CCCCN(C)Cc1ccco1 915ae361a6c8a363519bd8bcef1f718a [0,1,0,0,0,1|2,0,0]=4 742 B12R1.53 CCCNC(=O)Cc1ccco1 85b3c205bd3b07a4d069798d9d9bcf5b [0,1,0,0,0,1|0,0,0]=2 743 B12R1.53 CCCNC(=O)Cc1cccs1 9fcc2973908ac11247f97d4ead011aec [0,1,0,0,0,1|0,1,0]=3 744 B12R1.53 CCCNC(=O)Cc1ccno1 b29c96740a7bf5769fb72f12020a1ad3 [0,1,0,0,0,1|1,0,0]=3 745 B12R1.53 CCCNC(=O)Cc1ccoc1 245a13c5a3da0f5b618ac076533e167d [0,1,0,0,0,1|2,0,0]=4 746 B12R1.53 CCCNC(=O)Cc1ccon1 e852bab9c8cef1198e520d52d9ada6ac [0,1,0,0,0,1|2,0,0]=4 747 B12R1.53 CCCNC(=O)Cc1ccsc1 d98032b8627d46db6e389889c0c31f7b [0,1,0,0,0,1|2,0,0]=4 748 B12R1.53 CCCNC(=O)Cc1cnco1 afeed0be767e7f7d7ab3738225b7893d [0,1,0,0,0,1|1,0,0]=3 749 B12R1.53 CCCNC(=O)Cc1cncs1 9d0df1241291f302d6a6a76c8a6a07d7 [0,1,0,0,0,1|1,1,0]=4 750 B12R1.53 CCCNC(=O)Cc1cscn1 a775a4122feff86870b3cb2d9bac405f [0,1,0,0,0,1|2,0,0]=4 751 B12R1.53 CCCNC(=O)Cc1nccs1 c5e5c438ab8c21c17bfe2a627e2c9393 [0,1,0,0,0,1|1,1,0]=4 752 B12R1.53 CCCNC(=O)Cc1nnco1 9684b9d876510f80b96fcc06f7debf44 [0,1,0,0,0,1|2,0,0]=4 753 B12R1.53 CCCNC(=O)Cn1cccc1 d0d54fd858935c71208a6817071a4df5 [0,1,0,0,0,1|2,0,0]=4 754 B12R1.53 CCCNC(=O)Cn1cccn1 b4a295731b275084bfdca1dba2c003eb [0,1,0,0,0,1|2,0,0]=4 755 B12R1.53 CCCNC(=O)Nc1cc[nH]n1 0896b805bd47acdd2a034b67f1d9f260 [0,1,0,0,0,1|2,0,0]=4 756 B12R1.53 CCCNC(=O)Nc1ccno1 854dd0f13b85c1ef2f0192c164112e02 [0,1,0,0,0,1|1,0,0]=3 757 B12R1.53 CCCNC(=O)Nc1ccns1 7e750fadcd991a34db026c2c65f15ff9 [0,1,0,0,0,1|1,1,0]=4 758 B12R1.53 CCCNC(=O)Nc1ccsc1 cbde52de598b81dad9f021019c1662b2 [0,1,0,0,0,1|2,0,0]=4 759 B12R1.53 CCCNC(=O)Nc1cocn1 edf215d08e1992637b6ab00365d6a439 [0,1,0,0,0,1|2,0,0]=4 760 B12R1.53 CCCNC(=O)Nc1cscn1 619c2714638ad435c61de4650ad764a0 [0,1,0,0,0,1|2,0,0]=4 761 B12R1.53 CCCNC(=O)Nc1ncco1 2a86f75729bcd3b4eb4058269aff50f1 [0,1,0,0,0,1|1,0,0]=3 762 B12R1.53 CCCNC(=O)Nc1nccs1 6333b266f32a9d21c8b76dc3aacefd7b [0,1,0,0,0,1|1,1,0]=4 763 B12R1.53 CCCNC(=S)Nc1cccs1 170dd58d6ef8027743ee9fadcaac7d14 [0,1,0,0,0,1|0,2,0]=4 764 B12R1.53 CCCNC(=S)Nc1ccno1 9db4e509c6113da4f907d4bd6b6aef08 [0,1,0,0,0,1|1,1,0]=4 765 B12R1.53 CCCNC(=S)Nc1ncco1 6f9179c309f74f15896cc0b26b81d78b [0,1,0,0,0,1|1,1,0]=4 766 B12R1.53 CCCNC(C)Cc1ccco1 8f557baca30ddaed8ed297f9992e166c [0,1,0,0,0,1|1,0,1]=4 767 B12R1.53 CCCOC(C)Cc1ccco1 b0bceb83e8bd3acd4daf5e7c5dea0ee0 [0,1,0,0,0,1|1,0,1]=4 768 B12R1.53 CCOCC(=O)Nc1cccs1 07aa007292c76a667bc10215d842ee6a [0,1,0,0,0,1|0,1,0]=3 769 B12R1.53 CCOCC(=O)Nc1ccno1 de9cd66b1570bc793ea647de601542fc [0,1,0,0,0,1|1,0,0]=3 770 B12R1.53 CCOCC(=O)Nc1ccns1 549ce7ab7fafa3d89b37c2904bd000c2 [0,1,0,0,0,1|1,1,0]=4 771 B12R1.53 CCOCC(=O)Nc1ccon1 14a0d7ecaca7db17ac9bfc83ff3bc690 [0,1,0,0,0,1|2,0,0]=4 772 B12R1.53 CCOCC(=O)Nc1ccsc1 113ae6d465b5c22146c637ac127fd4b7 [0,1,0,0,0,1|2,0,0]=4 773 B12R1.53 CCOCC(=O)Nc1cncs1 6ae5fc4287878a246027d5c6731ac923 [0,1,0,0,0,1|1,1,0]=4 774 B12R1.53 CCOCC(=O)Nc1cocn1 30cfdeb06fbd9b6bdaa675e2c4266e35 [0,1,0,0,0,1|2,0,0]=4 775 B12R1.53 CCOCC(=O)Nc1cscn1 26460243a5245844cc3e93adf234b540 [0,1,0,0,0,1|2,0,0]=4 776 B12R1.53 CCOCC(=O)Nc1ncco1 854c640dc47ac7f1479a6c39e2a72cd0 [0,1,0,0,0,1|1,0,0]=3 777 B12R1.53 CCOCC(=O)Nc1nccs1 8cc941214253a120365115979f2247bf [0,1,0,0,0,1|1,1,0]=4 778 B12R1.53 CCOCN(C)Cc1ccco1 da259e60b96f352177d9333f99f75d1e [0,1,0,0,0,1|2,0,0]=4 779 B12R1.53 CCSCC(=O)Nc1cccs1 3c5ddbd3875ab3502eae0dadc2a1f9f0 [0,1,0,0,0,1|0,1,0]=3 780 B12R1.53 CCSCC(=O)Nc1ccno1 cbc2345cc1e18604737310e9701d3635 [0,1,0,0,0,1|1,0,0]=3 781 B12R1.53 CCSCC(=O)Nc1ccns1 9c4634f54b4f871b26a55e2735a5b9f8 [0,1,0,0,0,1|1,1,0]=4 782 B12R1.53 CCSCC(=O)Nc1ccsc1 a405bda8e7c865c91399641bd83d30c6 [0,1,0,0,0,1|2,0,0]=4 783 B12R1.53 CCSCC(=O)Nc1cocn1 39d63ce3cfbb031d11207c1cc42354b9 [0,1,0,0,0,1|2,0,0]=4 784 B12R1.53 CCSCC(=O)Nc1cscn1 3ac863ffa7fedbb019234405c9fe9558 [0,1,0,0,0,1|2,0,0]=4 785 B12R1.53 CCSCC(=O)Nc1ncco1 f9a42777771accf9312cc18cc6b7c41e [0,1,0,0,0,1|1,0,0]=3 786 B12R1.53 CCSCC(=O)Nc1nccs1 b1837e39135991f3d62834e87e31bb54 [0,1,0,0,0,1|1,1,0]=4 787 B12R1.53 CN(CCCF)Cc1ccco1 504c2640158efba2a3155daf81292ac9 [0,1,0,0,0,1|2,0,0]=4 788 B12R1.53 CN(CCCO)Cc1ccco1 a86a2a4d419c6775fece8b13f3500847 [0,1,0,0,0,1|2,0,0]=4 789 B12R1.53 CN(CCCS)Cc1ccco1 9770dee696118a66b2946e8c2eb9e4ff [0,1,0,0,0,1|2,0,0]=4 790 B12R1.53 COCCC(=O)Nc1cccs1 7eb41b4774d30c8d1c06e96a626133f1 [0,1,0,0,0,1|0,1,0]=3 791 B12R1.53 COCCC(=O)Nc1ccno1 28701b016fd9ccfbb864860f965d5ee9 [0,1,0,0,0,1|1,0,0]=3 792 B12R1.53 COCCC(=O)Nc1ccns1 12c73fc2fe2d5d0aca4f553d0a92d035 [0,1,0,0,0,1|1,1,0]=4 793 B12R1.53 COCCC(=O)Nc1ccsc1 c1d147c1f77fa4b1b1b2ad3228adc448 [0,1,0,0,0,1|2,0,0]=4 794 B12R1.53 COCCC(=O)Nc1cncs1 1e08cbb608731b052df9605b5fa091d6 [0,1,0,0,0,1|1,1,0]=4 795 B12R1.53 COCCC(=O)Nc1cocn1 5689a87277177fc496149f5e6f192f90 [0,1,0,0,0,1|2,0,0]=4 796 B12R1.53 COCCC(=O)Nc1cscn1 7e9156f8a897ad177f5b12378b1d8812 [0,1,0,0,0,1|2,0,0]=4 797 B12R1.53 COCCC(=O)Nc1ncco1 9a03bbb90e13a7e948aecc3811eff6e8 [0,1,0,0,0,1|1,0,0]=3 798 B12R1.53 COCCC(=O)Nc1nccs1 d03fccf46697d540ff7bae94bf03453c [0,1,0,0,0,1|1,1,0]=4 799 B12R1.53 COCCN(C)Cc1ccco1 06ad638255d9ddc2edefd4f990434864 [0,1,0,0,0,1|2,0,0]=4 800 B12R1.53 CSCCC(=O)Nc1cccs1 0c513cbbf40c0df40296a8e7177b7dc7 [0,1,0,0,0,1|0,1,0]=3 801 B12R1.53 CSCCC(=O)Nc1ccno1 12ae50941324cf8d3ab1820fb971112c [0,1,0,0,0,1|1,0,0]=3 802 B12R1.53 CSCCC(=O)Nc1ccns1 c53a060bd0401e9afbc650bb48a46f9f [0,1,0,0,0,1|1,1,0]=4 803 B12R1.53 CSCCC(=O)Nc1cscn1 7760a80a05e9cfd1353c68a1eb09f3c9 [0,1,0,0,0,1|2,0,0]=4 804 B12R1.53 CSCCC(=O)Nc1ncco1 aad0d2f59c946de96c1ef38374209a4a [0,1,0,0,0,1|1,0,0]=3 805 B12R1.53 CSCCC(=O)Nc1nccs1 cd6439a4974e56cc449b40abc9451a3c [0,1,0,0,0,1|1,1,0]=4 806 B12R1.53 CSCCN(C)Cc1ccco1 067f43766285e7f6bcfa17255e9e788a [0,1,0,0,0,1|2,0,0]=4 807 B12R1.53 CSSCC(=O)Nc1cccs1 91364ae8cc77554455bb3e6f047c4447 [0,1,0,0,0,1|1,1,0]=4 808 B12R1.53 CSSCC(=O)Nc1ccno1 bbe38f87487ae9b24fbd8b01dbf1554f [0,1,0,0,0,1|2,0,0]=4 809 B12R1.53 CSSCC(=O)Nc1ncco1 6af822000b6ecce1bcdfa0522b730f1e [0,1,0,0,0,1|2,0,0]=4 810 B12R1.53 N#CCCC(=O)Nc1cccs1 d5d8c4c07bdb82cae1f05cc1d67acf07 [0,1,0,0,0,1|0,1,1]=4 811 B12R1.53 N#CCCC(=O)Nc1ccno1 9144a236ca03907885e72f46f25b8ca4 [0,1,0,0,0,1|1,0,1]=4 812 B12R1.53 N#CCCC(=O)Nc1ncco1 63a99f5b02a201a34931e84fcf9496ba [0,1,0,0,0,1|1,0,1]=4 813 B12R1.53 N#CCNC(=O)Cc1ccco1 442365b2371c0a254a7d0214821170bb [0,1,0,0,0,1|1,0,1]=4 814 B12R1.53 NCCNC(=O)Nc1ccno1 1c61f072a561871e272680ef42fb4978 [0,1,0,0,0,1|2,0,0]=4 815 B12R1.53 NCCNC(=O)Nc1ncco1 d76806ba5adbd3e86d01893193fcc780 [0,1,0,0,0,1|2,0,0]=4 816 B12R1.53 O=C(CCCF)Nc1cccs1 fd6e68547c4672c4618d6439d5f6b2d5 [0,1,0,0,0,1|0,1,0]=3 817 B12R1.53 O=C(CCCF)Nc1ccno1 6c8fbe1f3ae1de9108c0c2a4112b262d [0,1,0,0,0,1|1,0,0]=3 818 B12R1.53 O=C(CCCF)Nc1ccns1 c95949f48875df5deb247275567c0229 [0,1,0,0,0,1|1,1,0]=4 819 B12R1.53 O=C(CCCF)Nc1ccon1 74ff98fe9a991f0e6d3a5310a70ca7f4 [0,1,0,0,0,1|2,0,0]=4 820 B12R1.53 O=C(CCCF)Nc1ccsc1 1b0779b10f9d1d9f66c6034e28b6fafd [0,1,0,0,0,1|2,0,0]=4 821 B12R1.53 O=C(CCCF)Nc1cncs1 7faf877ea2b6721681ac68c80e6645ee [0,1,0,0,0,1|1,1,0]=4 822 B12R1.53 O=C(CCCF)Nc1cocn1 4f2fd88387e0056b26219f8b3cbea943 [0,1,0,0,0,1|2,0,0]=4 823 B12R1.53 O=C(CCCF)Nc1cscn1 46ed4a946025cefa1d56bbd770ce8727 [0,1,0,0,0,1|2,0,0]=4 824 B12R1.53 O=C(CCCF)Nc1ncco1 87119caf497af92e00373022651731bc [0,1,0,0,0,1|1,0,0]=3 825 B12R1.53 O=C(CCCF)Nc1nccs1 eada7cb9de1975f7e365a8a182cec20e [0,1,0,0,0,1|1,1,0]=4 826 B12R1.53 O=C(CCCF)Nc1nnco1 b149b361fd1618294b21d19f2d3b390d [0,1,0,0,0,1|2,0,0]=4 827 B12R1.53 O=C(CCCS)Nc1cccs1 0c2e9c4407d6deb67e2394f162ab245e [0,1,0,0,0,1|0,1,0]=3 828 B12R1.53 O=C(CCCS)Nc1ccno1 195dea5900e49a91d2824e8db73de5f9 [0,1,0,0,0,1|1,0,0]=3 829 B12R1.53 O=C(CCCS)Nc1ccns1 79fac64b360a32ad19a5bda53cdc1cd0 [0,1,0,0,0,1|1,1,0]=4 830 B12R1.53 O=C(CCCS)Nc1ccon1 33f6f5bdb180357553d01b2ad732c4c7 [0,1,0,0,0,1|2,0,0]=4 831 B12R1.53 O=C(CCCS)Nc1ccsc1 4834153dcb389a3fba129c81a1be1eb5 [0,1,0,0,0,1|2,0,0]=4 832 B12R1.53 O=C(CCCS)Nc1cncs1 c860960e4d54759b0c09d4e0a859726f [0,1,0,0,0,1|1,1,0]=4 833 B12R1.53 O=C(CCCS)Nc1cocn1 93db7f81944fae1b9b73c96831a2f0a9 [0,1,0,0,0,1|2,0,0]=4 834 B12R1.53 O=C(CCCS)Nc1cscn1 24b6950c285f439cdf38dbce0af250f4 [0,1,0,0,0,1|2,0,0]=4 835 B12R1.53 O=C(CCCS)Nc1ncco1 fe547389e0b0a5867474551f042decf1 [0,1,0,0,0,1|1,0,0]=3 836 B12R1.53 O=C(CCCS)Nc1nccs1 6eed66d4a0a2c4bf8f43f99f6d995a65 [0,1,0,0,0,1|1,1,0]=4 837 B12R1.53 O=C(Cc1ccco1)NCCBr cc8c3445bf60efffd27e03a87476c729 [0,1,0,0,0,1|1,0,0]=3 838 B12R1.53 O=C(Cc1ccco1)NCCF 564549b65c4ad87242cec85d572f2b79 [0,1,0,0,0,1|1,0,0]=3 839 B12R1.53 O=C(Cc1ccco1)NCCI dc3fab4c304fc3c5746b2d7ae6a908d4 [0,1,0,0,0,1|1,0,0]=3 840 B12R1.53 O=C(Cc1ccco1)NCCO 0b63f866bd7e7faed700fe575b3aa284 [0,1,0,0,0,1|1,0,0]=3 841 B12R1.53 O=C(Cc1ccco1)NCCS bb8338ccb37832bc1b6e9970d63fd8d2 [0,1,0,0,0,1|1,0,0]=3 842 B12R1.53 O=C(Cc1cccs1)NCCBr 64c80ba5438da7ba430a9df83ef450b5 [0,1,0,0,0,1|1,1,0]=4 843 B12R1.53 O=C(Cc1cccs1)NCCF eea339707fd2e62744be8a0391d11f8a [0,1,0,0,0,1|1,1,0]=4 844 B12R1.53 O=C(Cc1cccs1)NCCI b6c2d090e6073e34438bcc25b41c1b70 [0,1,0,0,0,1|1,1,0]=4 845 B12R1.53 O=C(Cc1cccs1)NCCO 076eadd42d74faabe55a48483b5aa746 [0,1,0,0,0,1|1,1,0]=4 846 B12R1.53 O=C(Cc1cccs1)NCCS 1fce3fe26a97cc78c0ab442b4f3257b1 [0,1,0,0,0,1|1,1,0]=4 847 B12R1.53 O=C(Cc1ccno1)NCCBr 46a940a5f6b52c6b8db3dafd9836f08e [0,1,0,0,0,1|2,0,0]=4 848 B12R1.53 O=C(Cc1ccno1)NCCF 6f0682264dd29df1ba673611fdc029ec [0,1,0,0,0,1|2,0,0]=4 849 B12R1.53 O=C(Cc1ccno1)NCCI ee776ac56a1bc36febeaa3298dd5ce0d [0,1,0,0,0,1|2,0,0]=4 850 B12R1.53 O=C(Cc1ccno1)NCCO 37ce33edc98b3af02db07626112f9eea [0,1,0,0,0,1|2,0,0]=4 851 B12R1.53 O=C(Cc1ccno1)NCCS 82c7c6486833fd23693d1da49a84fe74 [0,1,0,0,0,1|2,0,0]=4 852 B12R1.53 O=C(Cc1cnco1)NCCBr f57314cb173250a0c5cca0fb9cd6a2d2 [0,1,0,0,0,1|2,0,0]=4 853 B12R1.53 O=C(Cc1cnco1)NCCF e10e35311f4c3318d0a81d7e152733bf [0,1,0,0,0,1|2,0,0]=4 854 B12R1.53 O=C(Cc1cnco1)NCCI 0f5a0be7a425064cfd17b4896d126832 [0,1,0,0,0,1|2,0,0]=4 855 B12R1.53 O=C(Cc1cnco1)NCCO 2d6aaeae3c8809b4a5bc263ba0004181 [0,1,0,0,0,1|2,0,0]=4 856 B12R1.53 O=C(Cc1cnco1)NCCS 959ff74cf24fe965d87081468ce3e55b [0,1,0,0,0,1|2,0,0]=4 857 B12R1.53 O=C(NCCF)Nc1ccno1 48650834367f19edf241321787cde416 [0,1,0,0,0,1|2,0,0]=4 858 B12R1.53 O=C(NCCO)Nc1ccno1 de64babcf944ea94ac7682904204dfd8 [0,1,0,0,0,1|2,0,0]=4 859 B12R1.53 O=C(NCCO)Nc1ncco1 2724989ee2834472bc5b070bbc7517fb [0,1,0,0,0,1|2,0,0]=4 860 B12R1.53 O=C(NCCS)Nc1ccno1 1aaf82d1e4286e851231484e2d9cf3c6 [0,1,0,0,0,1|2,0,0]=4 861 B12R1.53 O=CCCC(=O)Nc1cccs1 ec8e94029c8357724ebf20cfd8a60a78 [0,1,0,0,0,1|0,1,1]=4 862 B12R1.53 O=CCCC(=O)Nc1ccno1 c21ebb6502bbd5e24027cd3a4d7da6bc [0,1,0,0,0,1|1,0,1]=4 863 B12R1.53 O=CCCC(=O)Nc1ncco1 9fd04c64afe617dd7e2483000279f884 [0,1,0,0,0,1|1,0,1]=4 864 B12R1.55 CCCC(=O)N(C)c1ccon1 59dcaabbe96131f80a2c55265d9b9247 [0,1,0,0,0,1|2,0,0]=4 865 B12R1.55 CCCC(=O)N(C)c1ccsc1 707965fe50879acfdcc813f5088c69ee [0,1,0,0,0,1|2,0,0]=4 866 B12R1.55 CCCC(=O)N(C)c1ncco1 fd8402cb15718599a20202db5a9eb92a [0,1,0,0,0,1|1,0,0]=3 867 B12R1.55 CCCC(=O)N(C)c1nccs1 4b853846da89fe39287929b2bfdac7c9 [0,1,0,0,0,1|1,1,0]=4 868 B12R1.55 CCCC(=O)N(C)c1nnco1 12e9c74e11dbb6cf5538ea1d747b0a48 [0,1,0,0,0,1|2,0,0]=4 869 B12R1.55 CCCN(C)C(=O)c1ccco1 847a312a031439461727f2124c15e98a [0,1,0,0,0,1|2,0,0]=4 870 B12R1.55 CN(C(=O)CCF)c1ncco1 0a299685e81916545c9aa77677ee12bc [0,1,0,0,0,1|2,0,0]=4 871 B12R1.55 CN(C(=O)CCO)c1ncco1 8cf26f37eff6a6ee39b3eec83a91dba6 [0,1,0,0,0,1|2,0,0]=4 872 B12R1.55 CN(C(=O)CCS)c1ncco1 0e0c913832dbeb7e8fdc19c84af05e4d [0,1,0,0,0,1|2,0,0]=4 873 B12R1.55 COCC(=O)N(C)c1ncco1 d392096d69c1291015e680f98a79dd9b [0,1,0,0,0,1|2,0,0]=4 874 B12R1.55 CSCC(=O)N(C)c1ncco1 384040f3a73f4bf1f3f0d60d10034f2c [0,1,0,0,0,1|2,0,0]=4 875 B12R1.72 CCCC(CC)Oc1ccco1 e3e8666a46739f476e9690e57d5cfb87 [0,1,0,0,0,1|1,0,1]=4 876 B12R1.72 CCCC(CO)Nc1ccco1 376a2c9c2f8bdc8fe4e729ccef37e1f6 [0,1,0,0,0,1|0,0,2]=4 877 B12R1.72 CCCN(C=O)Cc1ccco1 2e338bf1ba163d029c48670fc31dde6a [0,1,0,0,0,1|1,0,0]=3 878 B12R1.72 CCCN(C=O)Cc1cccs1 4e2db9cd019493292596f2717370372f [0,1,0,0,0,1|1,1,0]=4 879 B12R1.72 CCCN(CC)Cc1ccco1 73de57fc6926269dd415a9a8b33db5dc [0,1,0,0,0,1|2,0,0]=4 880 B12R1.72 CCCN(CF)Cc1ccco1 769b5fcd15a111ed2758f3a762e6d4a5 [0,1,0,0,0,1|2,0,0]=4 881 B12R1.72 CCCN(CO)Cc1ccco1 fec13c67b55910648391532a06020537 [0,1,0,0,0,1|1,0,1]=4 882 B12R1.72 CCC[C@@H](CO)Nc1ccco1 247b932d0dd21cab6555c4d888df0e97 [0,1,0,0,0,1|0,0,2]=4 883 B12R1.72 CCC[C@H](CO)Nc1ccco1 6695704f1aeee934b778b3ceff238121 [0,1,0,0,0,1|0,0,2]=4 884 B12R1.72 O=CN(CCO)Cc1ccco1 0e6ff823b54a831ffd2555b9b14222f7 [0,1,0,0,0,1|2,0,0]=4 885 B12R1.108 C=C(CC)C(=O)Nc1cccs1 f30311222142606e5b02f197bf5bf0d9 [0,1,0,0,0,1|0,1,1]=4 886 B12R1.108 C=C(CC)C(=O)Nc1ccno1 db411fd78f6a4689309424401e8cd1d9 [0,1,0,0,0,1|1,0,1]=4 887 B12R1.108 C=C(CC)C(=O)Nc1ncco1 b693c6f830d7563d8d75796253186688 [0,1,0,0,0,1|1,0,1]=4 888 B12R1.108 CCC(=O)C(=O)Nc1cccs1 ec39d0765124e40699c5b790e3fd323e [0,1,0,0,0,1|0,1,1]=4 889 B12R1.108 CCC(=O)C(=O)Nc1ccno1 2f22c5a1a855a00a8f60f2c99429446e [0,1,0,0,0,1|1,0,1]=4 890 B12R1.108 CCC(=O)C(=O)Nc1ncco1 5c7a68f5a2ff1981d7bd4b41f821fa7c [0,1,0,0,0,1|1,0,1]=4 891 B12R1.108 CCC(C)N(C)Cc1ccco1 36935af45dd1c65090445c9f9f05e501 [0,1,0,0,0,1|2,0,0]=4 892 B12R1.108 CCC(O)C(=O)Nc1cccs1 f8741e5c4f9683838b368546617e09eb [0,1,0,0,0,1|0,1,0]=3 893 B12R1.108 CCC(O)C(=O)Nc1ccno1 7fb2b7823fb50c9dbfac2a18bf1a8841 [0,1,0,0,0,1|1,0,0]=3 894 B12R1.108 CCC(O)C(=O)Nc1ccns1 f48c7dca4e28ad173fad5de6742e1f87 [0,1,0,0,0,1|1,1,0]=4 895 B12R1.108 CCC(O)C(=O)Nc1ccon1 acd73e18607600ae0923db8f6b8c756d [0,1,0,0,0,1|2,0,0]=4 896 B12R1.108 CCC(O)C(=O)Nc1ccsc1 5d724b6323682c29c87d385df75382c6 [0,1,0,0,0,1|2,0,0]=4 897 B12R1.108 CCC(O)C(=O)Nc1cncs1 f15e53bac14a32bb7a165975389400ff [0,1,0,0,0,1|1,1,0]=4 898 B12R1.108 CCC(O)C(=O)Nc1cocn1 aaf55f61fb31f2934a03ddee6d36e0e7 [0,1,0,0,0,1|2,0,0]=4 899 B12R1.108 CCC(O)C(=O)Nc1cscn1 a511f6a051d4cd5a11b1fe276c1ad0a7 [0,1,0,0,0,1|2,0,0]=4 900 B12R1.108 CCC(O)C(=O)Nc1ncco1 e1a4af962e84d69856d2fc77b53716e3 [0,1,0,0,0,1|1,0,0]=3 901 B12R1.108 CCC(O)C(=O)Nc1nccs1 3b514d0c0fbc2e9b8aede289184cbfb1 [0,1,0,0,0,1|1,1,0]=4 902 B12R1.108 CCN(C)C(=O)Cc1ccco1 2a2fb23d439b290d834b7a7b556c4398 [0,1,0,0,0,1|1,0,0]=3 903 B12R1.108 CCN(C)C(=O)Cc1cccs1 3af714b64108edf1273fc4787b9376f7 [0,1,0,0,0,1|1,1,0]=4 904 B12R1.108 CCN(C)C(=O)Cc1ccno1 fc45b28195b967c6b6fc3d09909cb880 [0,1,0,0,0,1|2,0,0]=4 905 B12R1.108 CCN(C)C(=O)Cc1cnco1 94a29c59e4c96ade1930ec94403dd55c [0,1,0,0,0,1|2,0,0]=4 906 B12R1.108 CCN(C)C(=O)Nc1cccs1 7033662accbbe11bb3f17a965454142c [0,1,0,0,0,1|1,1,0]=4 907 B12R1.108 CCN(C)C(=O)Nc1ccno1 f0e34b136b8bdd8f5ade8c64a58dca5c [0,1,0,0,0,1|2,0,0]=4 908 B12R1.108 CCN(C)C(=O)Nc1ncco1 3416926248c3e2cecbeaf13bb86b5b5e [0,1,0,0,0,1|2,0,0]=4 909 B12R1.108 CC[C@@H](O)C(=O)Nc1cccs1 c8f8405857c880d3521298afe6f3c796 [0,1,0,0,0,1|0,1,0]=3 910 B12R1.108 CC[C@@H](O)C(=O)Nc1ccno1 0216c3286ba29b8ff672bb1b317585f3 [0,1,0,0,0,1|1,0,0]=3 911 B12R1.108 CC[C@@H](O)C(=O)Nc1ccns1 26df833527dd23f3c1c9472ebdcbbc5a [0,1,0,0,0,1|1,1,0]=4 912 B12R1.108 CC[C@@H](O)C(=O)Nc1ccon1 1ef9379c9691c2ca367284c06e30c3b4 [0,1,0,0,0,1|2,0,0]=4 913 B12R1.108 CC[C@@H](O)C(=O)Nc1ccsc1 3d622bea24a338d1b6c70ef916449370 [0,1,0,0,0,1|2,0,0]=4 914 B12R1.108 CC[C@@H](O)C(=O)Nc1cncs1 21473201e15ce8545a7d92a3a6a3e322 [0,1,0,0,0,1|1,1,0]=4 915 B12R1.108 CC[C@@H](O)C(=O)Nc1cocn1 dbe8661d686f367be0189de01a06960e [0,1,0,0,0,1|2,0,0]=4 916 B12R1.108 CC[C@@H](O)C(=O)Nc1cscn1 d62f1a31fe86a5130aa65336fc13a515 [0,1,0,0,0,1|2,0,0]=4 917 B12R1.108 CC[C@@H](O)C(=O)Nc1ncco1 3f2b392b31454924768251f23f0b7e3f [0,1,0,0,0,1|1,0,0]=3 918 B12R1.108 CC[C@@H](O)C(=O)Nc1nccs1 017e9349186300191a78b26b4df96e25 [0,1,0,0,0,1|1,1,0]=4 919 B12R1.108 CC[C@H](O)C(=O)Nc1cccs1 1d205ba9fbb38b2d8f072744d42f0c7f [0,1,0,0,0,1|0,1,0]=3 920 B12R1.108 CC[C@H](O)C(=O)Nc1ccno1 09f15817c841b290fce1300cacb6e214 [0,1,0,0,0,1|1,0,0]=3 921 B12R1.108 CC[C@H](O)C(=O)Nc1ccns1 1646387541548eb3688f4c71294ac7d7 [0,1,0,0,0,1|1,1,0]=4 922 B12R1.108 CC[C@H](O)C(=O)Nc1ccon1 bbd6dc9484ce5a98bdd2ccb95c789854 [0,1,0,0,0,1|2,0,0]=4 923 B12R1.108 CC[C@H](O)C(=O)Nc1ccsc1 dee2bbbd622a559b768731bb2c2a9730 [0,1,0,0,0,1|2,0,0]=4 924 B12R1.108 CC[C@H](O)C(=O)Nc1cncs1 ea76eeb1bef942eb8bb4080f612e0b32 [0,1,0,0,0,1|1,1,0]=4 925 B12R1.108 CC[C@H](O)C(=O)Nc1cocn1 9d12cbd203af456347262590faf521b5 [0,1,0,0,0,1|2,0,0]=4 926 B12R1.108 CC[C@H](O)C(=O)Nc1cscn1 e41bc0773d57acc7d0ee40373d585a77 [0,1,0,0,0,1|2,0,0]=4 927 B12R1.108 CC[C@H](O)C(=O)Nc1ncco1 4ee413335b6e53f4fdae13cf54806507 [0,1,0,0,0,1|1,0,0]=3 928 B12R1.108 CC[C@H](O)C(=O)Nc1nccs1 e8b74ae30e8351400f0c30c1f37a6db7 [0,1,0,0,0,1|1,1,0]=4 929 B12R1.108 CC[C@H](S)C(=O)Nc1cccs1 08562b5edabba39064f25b3a7c0b2906 [0,1,0,0,0,1|0,1,0]=3 930 B12R1.108 CC[C@H](S)C(=O)Nc1ccno1 5f7b486aae560874d2b9c4841665431f [0,1,0,0,0,1|1,0,0]=3 931 B12R1.108 CC[C@H](S)C(=O)Nc1ccns1 8715ffb657fc7ad626952e6e25236897 [0,1,0,0,0,1|1,1,0]=4 932 B12R1.108 CC[C@H](S)C(=O)Nc1ccsc1 966a221bc553640a2987579bfb44b472 [0,1,0,0,0,1|2,0,0]=4 933 B12R1.108 CC[C@H](S)C(=O)Nc1cncs1 d9c635731053f0fb64a25d19ddb6a270 [0,1,0,0,0,1|1,1,0]=4 934 B12R1.108 CC[C@H](S)C(=O)Nc1cocn1 7efcc449ce765b70e7b14cf08ad1eba9 [0,1,0,0,0,1|2,0,0]=4 935 B12R1.108 CC[C@H](S)C(=O)Nc1cscn1 960fe1387de7a382ed86cb80fa069a0c [0,1,0,0,0,1|2,0,0]=4 936 B12R1.108 CC[C@H](S)C(=O)Nc1ncco1 369a645c506c2e4d8986f23e25da8280 [0,1,0,0,0,1|1,0,0]=3 937 B12R1.108 CC[C@H](S)C(=O)Nc1nccs1 107ea940f9a81cd4649fea596247a044 [0,1,0,0,0,1|1,1,0]=4 938 B12R1.108 COC(C)C(=O)Nc1cccs1 8e42ba859182641ab5035f3e098aa28d [0,1,0,0,0,1|1,1,0]=4 939 B12R1.108 COC(C)C(=O)Nc1ncco1 0fabf72f5c3de5a0b7ba36d5db6c75d3 [0,1,0,0,0,1|2,0,0]=4 940 B12R1.108 CO[C@@H](C)C(=O)Nc1cccs1 a54adfbc7e623534dd4501ede3e39e66 [0,1,0,0,0,1|1,1,0]=4 941 B12R1.108 CO[C@@H](C)C(=O)Nc1ncco1 c1762d33237ac45bc6bae4537270d6ab [0,1,0,0,0,1|2,0,0]=4 942 B12R1.108 CO[C@H](C)C(=O)Nc1cccs1 7903d7329752ec440d8b6dcb1577ea86 [0,1,0,0,0,1|1,1,0]=4 943 B12R1.108 CO[C@H](C)C(=O)Nc1ncco1 2c4ea6562f54d2dc23eb20d7ee78bce1 [0,1,0,0,0,1|2,0,0]=4 944 B12R1.108 CSC(C)C(=O)Nc1cccs1 fa755628b0a3e90de2742fe6486bbcd7 [0,1,0,0,0,1|1,1,0]=4 945 B12R1.108 CSC(C)C(=O)Nc1ccno1 fc8b15aa987bfff8309104808e3a5cdc [0,1,0,0,0,1|2,0,0]=4 946 B12R1.108 CSC(C)C(=O)Nc1ncco1 130a8a582eaaf4576ac30dc2c5f9ffc3 [0,1,0,0,0,1|2,0,0]=4 947 B12R1.108 O=C(Nc1cccs1)C(O)CO 762c25668ba9f88d9ff073acd119c550 [0,1,0,0,0,1|1,1,0]=4 948 B12R1.108 O=C(Nc1cccs1)[C@@H](O)CO 6aa86697c6a5bf4be37b43a415c3e071 [0,1,0,0,0,1|1,1,0]=4 949 B12R1.108 O=C(Nc1cccs1)[C@H](O)CF e0bc7f6aee0fcb4e5a37ac5a22a20575 [0,1,0,0,0,1|1,1,0]=4 950 B12R1.108 O=C(Nc1ccno1)C(O)CO fd882cba90ed9b6cc3b93da41b233b01 [0,1,0,0,0,1|2,0,0]=4 951 B12R1.108 O=C(Nc1ccno1)[C@@H](O)CO 0c279cff5702cb80963edd82aeab8eb8 [0,1,0,0,0,1|2,0,0]=4 952 B12R1.108 O=C(Nc1ccno1)[C@H](O)CF 66a8306307e9e85018071aec48c20c50 [0,1,0,0,0,1|2,0,0]=4 953 B12R1.108 O=C(Nc1ncco1)C(O)CO 059c645f7dc8361615b516960e42c6df [0,1,0,0,0,1|2,0,0]=4 954 B12R1.108 O=C(Nc1ncco1)[C@@H](O)CO 45dce0c3db8bf82655e1ac3f2072dd51 [0,1,0,0,0,1|2,0,0]=4 955 B12R1.108 O=C(Nc1ncco1)[C@H](O)CF 50b33740b2ffb272b85d5de5870b235c [0,1,0,0,0,1|2,0,0]=4 956 B12R1.260 C=C(C)CC(=O)Nc1cccs1 5bcd63023167a9baf2cae08f8a91ee9c [0,1,0,0,0,1|0,1,1]=4 957 B12R1.260 C=C(C)CC(=O)Nc1ccno1 214b03b57398de0a00fcf042393398de [0,1,0,0,0,1|1,0,1]=4 958 B12R1.260 C=C(C)CC(=O)Nc1ncco1 0ef91ebb33969c60ea62d306e74e9109 [0,1,0,0,0,1|1,0,1]=4 959 B12R1.260 CC(=O)CC(=O)Nc1cccs1 295928ed900f5dc722303083794707f0 [0,1,0,0,0,1|0,1,1]=4 960 B12R1.260 CC(=O)CC(=O)Nc1ccno1 21f974b5f2a7658b4915e02d83d193d5 [0,1,0,0,0,1|1,0,1]=4 961 B12R1.260 CC(=O)CC(=O)Nc1ncco1 97cb3e2fb2ecc22d9efae809c80bcc6f [0,1,0,0,0,1|1,0,1]=4 962 B12R1.260 CC(C)CC(=O)Nc1cccs1 9dd319e52f58759155187a762c025382 [0,1,0,0,0,1|0,1,0]=3 963 B12R1.260 CC(C)CC(=O)Nc1ccno1 87cd2950dbd04fa53003869cb55f7d47 [0,1,0,0,0,1|1,0,0]=3 964 B12R1.260 CC(C)CC(=O)Nc1ccns1 4a7a7444e496d93242790973cafe6042 [0,1,0,0,0,1|1,1,0]=4 965 B12R1.260 CC(C)CC(=O)Nc1ccsc1 52a118378d51d83f9d273ea1e1e57bce [0,1,0,0,0,1|2,0,0]=4 966 B12R1.260 CC(C)CC(=O)Nc1cncs1 113e602e4e6ff8ea9fe6493d1b5358b6 [0,1,0,0,0,1|1,1,0]=4 967 B12R1.260 CC(C)CC(=O)Nc1cocn1 05052fc72b5704785008a7e5e2f8d7b5 [0,1,0,0,0,1|2,0,0]=4 968 B12R1.260 CC(C)CC(=O)Nc1cscn1 e3b9d4953bd70ea2e3b16b87419f6f6d [0,1,0,0,0,1|2,0,0]=4 969 B12R1.260 CC(C)CC(=O)Nc1ncco1 0ed71cc9c02d90eb060dc5ee4a0ecd83 [0,1,0,0,0,1|1,0,0]=3 970 B12R1.260 CC(C)CC(=O)Nc1nccs1 bdc41a8a0334156e36b744bd1d0ea809 [0,1,0,0,0,1|1,1,0]=4 971 B12R1.260 CC(C)CC(C)Oc1ccco1 22990aa6dfc98eff0004812e0a2bfe34 [0,1,0,0,0,1|1,0,1]=4 972 B12R1.260 CC(C)CN(C)Cc1ccco1 9cdc4c2b76176b5179d0e2ae9107aff6 [0,1,0,0,0,1|2,0,0]=4 973 B12R1.260 CC(O)CC(=O)Nc1cccs1 cd687747919f339800ca0670ccb74eaa [0,1,0,0,0,1|0,1,0]=3 974 B12R1.260 CC(O)CC(=O)Nc1ccno1 a567933def167315d30ade1f65509f88 [0,1,0,0,0,1|1,0,0]=3 975 B12R1.260 CC(O)CC(=O)Nc1ccns1 59356d3c01dbbc878e96cd493f2c4642 [0,1,0,0,0,1|1,1,0]=4 976 B12R1.260 CC(O)CC(=O)Nc1ccsc1 b6f50b466ba547d5e6b7f03ddafb65c0 [0,1,0,0,0,1|2,0,0]=4 977 B12R1.260 CC(O)CC(=O)Nc1cocn1 787fa73f3a2f9012858536d362620cd9 [0,1,0,0,0,1|2,0,0]=4 978 B12R1.260 CC(O)CC(=O)Nc1cscn1 730fa7964851a365d5c12897c4f0cfb1 [0,1,0,0,0,1|2,0,0]=4 979 B12R1.260 CC(O)CC(=O)Nc1ncco1 74729442a9810d24b6e87bb7ba6946c8 [0,1,0,0,0,1|1,0,0]=3 980 B12R1.260 CC(O)CC(=O)Nc1nccs1 e3b343c81c4249692e7abf3b8389440f [0,1,0,0,0,1|1,1,0]=4 981 B12R1.260 CC(O)CN(C)Cc1ccco1 0e9e81b44ef67d2931cd5b4d20d7d096 [0,1,0,0,0,1|2,0,0]=4 982 B12R1.260 CN(C)CC(=O)Nc1cccs1 df433e8908eeb27d2e1015d20288f85a [0,1,0,0,0,1|1,1,0]=4 983 B12R1.260 CN(C)CC(=O)Nc1ccno1 afe8962c5e8f9712006d5fa936828a99 [0,1,0,0,0,1|2,0,0]=4 984 B12R1.260 CN(C)CC(=O)Nc1ncco1 404cc071b23ea1aee350a4836af3588b [0,1,0,0,0,1|2,0,0]=4 985 B12R1.260 C[C@@H](O)CC(=O)Nc1cccs1 d936c1e8ad5916af2aea8eadb0bd86a8 [0,1,0,0,0,1|0,1,0]=3 986 B12R1.260 C[C@@H](O)CC(=O)Nc1ccno1 7d1e8b4c707ac97c0e6323659d7befc2 [0,1,0,0,0,1|1,0,0]=3 987 B12R1.260 C[C@@H](O)CC(=O)Nc1ccns1 5e525aa9bca8b24dce1dd0764f2cb5ff [0,1,0,0,0,1|1,1,0]=4 988 B12R1.260 C[C@@H](O)CC(=O)Nc1ccsc1 fc09375eadad7202d761a69177b58b0a [0,1,0,0,0,1|2,0,0]=4 989 B12R1.260 C[C@@H](O)CC(=O)Nc1cocn1 44fae7473620edbe3678f760512923bb [0,1,0,0,0,1|2,0,0]=4 990 B12R1.260 C[C@@H](O)CC(=O)Nc1cscn1 e1c881be4ec4ec7b0ba6b9249596737a [0,1,0,0,0,1|2,0,0]=4 991 B12R1.260 C[C@@H](O)CC(=O)Nc1ncco1 f392fafdab4de9a1b25f5bddf5ec8126 [0,1,0,0,0,1|1,0,0]=3 992 B12R1.260 C[C@@H](O)CC(=O)Nc1nccs1 0eca86cc58031a49082bb43dca27de6c [0,1,0,0,0,1|1,1,0]=4 993 B12R1.260 C[C@@H](O)CN(C)Cc1ccco1 d634f2458e98d668c0872a0082ed4d87 [0,1,0,0,0,1|2,0,0]=4 994 B12R1.260 C[C@H](O)CC(=O)Nc1cccs1 ab3a3ac2a6c8fd1bf80de7d3683f465f [0,1,0,0,0,1|0,1,0]=3 995 B12R1.260 C[C@H](O)CC(=O)Nc1ccno1 4ffb353fec289e8625d842b42d8e3b8f [0,1,0,0,0,1|1,0,0]=3 996 B12R1.260 C[C@H](O)CC(=O)Nc1ccns1 4c2248e185636e28ecc7f394373a04ba [0,1,0,0,0,1|1,1,0]=4 997 B12R1.260 C[C@H](O)CC(=O)Nc1ccsc1 08a13ed62a0a060756046418f5052952 [0,1,0,0,0,1|2,0,0]=4 998 B12R1.260 C[C@H](O)CC(=O)Nc1cocn1 cab912425299faa72efe2910a2cc1e75 [0,1,0,0,0,1|2,0,0]=4 999 B12R1.260 C[C@H](O)CC(=O)Nc1cscn1 4eac34a2f96a96ca8814a6032abaea99 [0,1,0,0,0,1|2,0,0]=4 1000 B12R1.260 C[C@H](O)CC(=O)Nc1ncco1 76835a5de6f834a86cf84186d0b9cf57 [0,1,0,0,0,1|1,0,0]=3 1001 B12R1.260 C[C@H](O)CC(=O)Nc1nccs1 60a36a56b2d6818bd43c09e2ba300bd1 [0,1,0,0,0,1|1,1,0]=4 1002 B12R1.260 C[C@H](O)CN(C)Cc1ccco1 76b0132e516fd3b81813540791122765 [0,1,0,0,0,1|2,0,0]=4 1003 B12R1.260 O=C(CC(F)F)Nc1cccs1 80ad64a604b1a9276ce4acfaaa59a3db [0,1,0,0,0,1|1,1,0]=4 1004 B12R1.260 O=C(CC(F)F)Nc1ccno1 88540e234107bdf203f1b5c8c949cb4a [0,1,0,0,0,1|2,0,0]=4 1005 B12R1.260 O=C(CC(F)F)Nc1ncco1 a10eb06ad96f2b9867412d705eba466c [0,1,0,0,0,1|2,0,0]=4 1006 B12R1.318 CCCC(=O)Nc1ccnn1C 2866cf78608896b1c92d128a5a8e86ad [0,1,0,0,0,1|2,0,0]=4 1007 B12R1.318 CCCC(=O)Nc1ccsc1C bfb1edbe55b1a7d1229972d55a90c9a9 [0,1,0,0,0,1|2,0,0]=4 1008 B12R1.318 CCCC(=O)Nc1cncn1C fcb150e7030fc610664ee471584da7be [0,1,0,0,0,1|2,0,0]=4 1009 B12R1.318 CCCC(=O)Nc1scnc1C 445cd4a870b83dc61089d9ba9ad641b5 [0,1,0,0,0,1|1,1,0]=4 1010 B12R1.318 CCCN(C)Cc1occc1C 1b997895e2f17874906cce2fcc0de169 [0,1,0,0,0,1|2,0,0]=4 1011 B12R1.36 CCCNC(CC)c1ccco1 864ef8187e6bad07f36f2b86debe9f63 [0,2,0,0,0,0|1,0,1]=4 1012 B12R1.36 CCCOC(CC)c1ccco1 0e459dd3c5626b928854ffe4b1afb756 [0,2,0,0,0,0|1,0,1]=4 1013 B12R1.293 CCCC(NC=O)c1cccs1 53e325e2d773ed0cbcbf5c24900b2ac6 [0,2,0,0,0,0|0,1,1]=4 1014 B12R1.295 CCNC(C(=O)O)c1ccco1 4a4b87bb87618a28ed8c927bcce36c35 [0,2,0,0,0,0|1,0,1]=4 1015 B12R1.29 C#CCNC(=O)c1cc(co1)Br 903cdfa40caa308b439c0fff49754206 [0,2,0,0,0,0|0,0,2]=4 1016 B12R1.29 C#CCNC(=O)c1cc(co1)C 320847ae900a4fbfd0ab1e586ed736c0 [0,2,0,0,0,0|0,0,2]=4 1017 B12R1.29 C#CCNC(=O)c1cc(co1)Cl acd52529c027953d098b1d640c4f766a [0,2,0,0,0,0|0,0,2]=4 1018 B12R1.29 C#CCNC(=O)c1ccc(o1)Br 77e3c3ce76414ece6ea0cbb3a2f71a08 [0,2,0,0,0,0|0,0,2]=4 1019 B12R1.29 C#CCNC(=O)c1ccc(o1)C b71b1075d625baf957a1a4026c5f63fe [0,2,0,0,0,0|0,0,2]=4 1020 B12R1.29 C#CCNC(=O)c1ccc(o1)Cl 8beb301e6d7892f5362091a00e6445b4 [0,2,0,0,0,0|0,0,2]=4 1021 B12R1.29 C#CCNC(=O)c1ccc(o1)F 5ca429537ce4e273a1d98352a401d3ca [0,2,0,0,0,0|0,0,2]=4 1022 B12R1.29 C#CCNC(=O)c1ccc(o1)I 44eab28b536804c064b47f58eff08193 [0,2,0,0,0,0|0,0,2]=4 1023 B12R1.29 CCCCN(C)c1ccc(o1)C 7de32e6fa497a6d952a794ecf1437856 [0,2,0,0,0,0|2,0,0]=4 1024 B12R1.29 CCCNC(=O)C1=CC(=O)CC1 2da574a03df6e4da313604aa333ab64e [0,2,0,0,0,0|1,0,1]=4 1025 B12R1.29 CCCNC(=O)c1cc(co1)Br 1d73fc202ccbf48725e93e7e247da8dd [0,2,0,0,0,0|0,0,0]=2 1026 B12R1.29 CCCNC(=O)c1cc(co1)C caa3b146fdbfd641c3513d7150bcf14e [0,2,0,0,0,0|0,0,0]=2 1027 B12R1.29 CCCNC(=O)c1cc(co1)Cl 6b9852ef6bae11fee04d12b81642f3f1 [0,2,0,0,0,0|0,0,0]=2 1028 B12R1.29 CCCNC(=O)c1cc(cs1)Br b78cd733dd85f49dc5f115973354cbea [0,2,0,0,0,0|0,1,0]=3 1029 B12R1.29 CCCNC(=O)c1cc(cs1)C 2c1eaccfae4d5dc5e5da3451ee3c6547 [0,2,0,0,0,0|0,1,0]=3 1030 B12R1.29 CCCNC(=O)c1cc(cs1)Cl 3453904790d187bf173848696df2adb5 [0,2,0,0,0,0|0,1,0]=3 1031 B12R1.29 CCCNC(=O)c1cc(cs1)F 646e2820370bffab186415836d18ae22 [0,2,0,0,0,0|0,1,0]=3 1032 B12R1.29 CCCNC(=O)c1cc(cs1)O 66198856725f27420d029423e6958a60 [0,2,0,0,0,0|0,1,0]=3 1033 B12R1.29 CCCNC(=O)c1cc(no1)Br 2063f87a91c555c5323df2891c71e152 [0,2,0,0,0,0|1,0,0]=3 1034 B12R1.29 CCCNC(=O)c1cc(no1)C f8e9b903bf3ff53c5a734d9ede4db0fd [0,2,0,0,0,0|1,0,0]=3 1035 B12R1.29 CCCNC(=O)c1cc(no1)Cl 7e0822a6dd21a31a3e7f4e8666c44967 [0,2,0,0,0,0|1,0,0]=3 1036 B12R1.29 CCCNC(=O)c1cc(no1)O 9506c2e6b81e202d1d0158a6cf453a97 [0,2,0,0,0,0|1,0,0]=3 1037 B12R1.29 CCCNC(=O)c1cc(ns1)Br 7f1b9878dd0aadcb3e39ffaa7d8365ab [0,2,0,0,0,0|1,1,0]=4 1038 B12R1.29 CCCNC(=O)c1cc(ns1)C 63df4f95408112d1851e424ed14ee8bb [0,2,0,0,0,0|1,1,0]=4 1039 B12R1.29 CCCNC(=O)c1cc(ns1)Cl 0ac28fd18ddbe997db56ebcd870a60ce [0,2,0,0,0,0|1,1,0]=4 1040 B12R1.29 CCCNC(=O)c1cc(on1)C 1d5d544d6a0c0c49167428b8c3f44ef6 [0,2,0,0,0,0|2,0,0]=4 1041 B12R1.29 CCCNC(=O)c1cc(on1)Cl 219d7aa9d4229b8a3dc3db88fe246f8f [0,2,0,0,0,0|2,0,0]=4 1042 B12R1.29 CCCNC(=O)c1cc(on1)I a164e91d07176d702119bf938e521055 [0,2,0,0,0,0|2,0,0]=4 1043 B12R1.29 CCCNC(=O)c1cc(sn1)Br 168f1891a984748eea7a11c5875787bb [0,2,0,0,0,0|2,0,0]=4 1044 B12R1.29 CCCNC(=O)c1cc(sn1)C 77fdf80eda7ade76f991c1ff7de2703f [0,2,0,0,0,0|2,0,0]=4 1045 B12R1.29 CCCNC(=O)c1ccc(o1)Br 0572fc68b11895ff814444a1ba6ff8e3 [0,2,0,0,0,0|0,0,0]=2 1046 B12R1.29 CCCNC(=O)c1ccc(o1)C bf0058a1a234cd93b2ebaa3e54b0e642 [0,2,0,0,0,0|0,0,0]=2 1047 B12R1.29 CCCNC(=O)c1ccc(o1)Cl 32c5f0e1e11b57b3e8fa002968ef928b [0,2,0,0,0,0|0,0,0]=2 1048 B12R1.29 CCCNC(=O)c1ccc(o1)F 966c7dc2b5809b6ad8a7cbcf19250656 [0,2,0,0,0,0|0,0,0]=2 1049 B12R1.29 CCCNC(=O)c1ccc(o1)I d91e64f5bcc20dcc3383dcaa34abd50c [0,2,0,0,0,0|0,0,0]=2 1050 B12R1.29 CCCNC(=O)c1ccc(s1)Br 1d4ac5c8f1a9edbcbbf1b006eed3f88a [0,2,0,0,0,0|0,1,0]=3 1051 B12R1.29 CCCNC(=O)c1ccc(s1)C f0566454de4885ea08b5b31120297c67 [0,2,0,0,0,0|0,1,0]=3 1052 B12R1.29 CCCNC(=O)c1ccc(s1)Cl ef60fe87bd45c69f02d76ee93f97946a [0,2,0,0,0,0|0,1,0]=3 1053 B12R1.29 CCCNC(=O)c1ccc(s1)F 9aa86e6aa10b9e8f6c992b1f1298f75d [0,2,0,0,0,0|0,1,0]=3 1054 B12R1.29 CCCNC(=O)c1ccc(s1)I 9b49fc66b14fc080bfbcaefe7f2423db [0,2,0,0,0,0|0,1,0]=3 1055 B12R1.29 CCCNC(=O)c1ccn(c1)C febce661ac141246601cc82b97a6bbb2 [0,2,0,0,0,0|2,0,0]=4 1056 B12R1.29 CCCNC(=O)c1ccn(n1)C 1ee40e0269f55aa5239f072460d9c730 [0,2,0,0,0,0|2,0,0]=4 1057 B12R1.29 CCCNC(=O)c1cn(cn1)C 3e48334b588ed31b597b5237014ae810 [0,2,0,0,0,0|2,0,0]=4 1058 B12R1.29 CCCNC(=O)c1cnc(o1)Br b280df77112c1ffd6320ffb051d12896 [0,2,0,0,0,0|1,0,0]=3 1059 B12R1.29 CCCNC(=O)c1cnc(o1)C e19b8167b309fb02d334ecc147cb1eaa [0,2,0,0,0,0|1,0,0]=3 1060 B12R1.29 CCCNC(=O)c1cnc(o1)Cl ebce6f20187ffc300dd327b17443dd01 [0,2,0,0,0,0|1,0,0]=3 1061 B12R1.29 CCCNC(=O)c1cnc(o1)I 7f1717e1889cc93b10fb55f9394148c3 [0,2,0,0,0,0|1,0,0]=3 1062 B12R1.29 CCCNC(=O)c1cnc(o1)O ca2b22cdd71fdf924d2ff9c4dd142dde [0,2,0,0,0,0|1,0,0]=3 1063 B12R1.29 CCCNC(=O)c1cnc(s1)Br 9cd2c7100dd87d136a780d23e62208e0 [0,2,0,0,0,0|1,1,0]=4 1064 B12R1.29 CCCNC(=O)c1cnc(s1)C 3d59616f8c84bfea3c625b1a448e37ae [0,2,0,0,0,0|1,1,0]=4 1065 B12R1.29 CCCNC(=O)c1cnc(s1)Cl db2bd78a78215ba73b16f88a0930ae19 [0,2,0,0,0,0|1,1,0]=4 1066 B12R1.29 CCCNC(=O)c1coc(c1)Br 8c7a6ce0db33b2552f00b093bf31b542 [0,2,0,0,0,0|2,0,0]=4 1067 B12R1.29 CCCNC(=O)c1coc(c1)C a355eb767aa594d39e59dc8f15d40248 [0,2,0,0,0,0|2,0,0]=4 1068 B12R1.29 CCCNC(=O)c1coc(n1)Br 8258885e78715181dae80dbe147bd727 [0,2,0,0,0,0|2,0,0]=4 1069 B12R1.29 CCCNC(=O)c1coc(n1)C 310e27e62fdeab374b3dfe74fe12ccb7 [0,2,0,0,0,0|2,0,0]=4 1070 B12R1.29 CCCNC(=O)c1coc(n1)Cl 74cd3fc41412e2d0f212210757008193 [0,2,0,0,0,0|2,0,0]=4 1071 B12R1.29 CCCNC(=O)c1csc(c1)Br 95821410078def27ea5474659f2b1643 [0,2,0,0,0,0|2,0,0]=4 1072 B12R1.29 CCCNC(=O)c1csc(c1)C d03ed353d6c7c039472e2bae9534a021 [0,2,0,0,0,0|2,0,0]=4 1073 B12R1.29 CCCNC(=O)c1csc(c1)Cl 129c844502f79b3906a56c6a4ef434a8 [0,2,0,0,0,0|2,0,0]=4 1074 B12R1.29 CCCNC(=O)c1csc(c1)I 7c4e76d7bd2d72feac67d39d48624d60 [0,2,0,0,0,0|2,0,0]=4 1075 B12R1.29 CCCNC(=O)c1csc(n1)Br 17d3fc3bb15dc9953a7825e05a74c2f0 [0,2,0,0,0,0|2,0,0]=4 1076 B12R1.29 CCCNC(=O)c1csc(n1)C 5375c9a5fa7fa359a53be83e140e4cc3 [0,2,0,0,0,0|2,0,0]=4 1077 B12R1.29 CCCNC(=O)c1csc(n1)Cl 376d7076a838aa9d33882d3a0d7a1280 [0,2,0,0,0,0|2,0,0]=4 1078 B12R1.29 CCCNC(=O)c1csc(n1)I a99c4d1a83540e8fb2b3ed37f5b9947b [0,2,0,0,0,0|2,0,0]=4 1079 B12R1.29 CCCNC(=O)c1nc(co1)Br 6b59f061205431ab1850c4010b155366 [0,2,0,0,0,0|1,0,0]=3 1080 B12R1.29 CCCNC(=O)c1nc(co1)C b881c890d7bed1d6db3f4b2499a7fd96 [0,2,0,0,0,0|1,0,0]=3 1081 B12R1.29 CCCNC(=O)c1nc(cs1)Br d2b9dc64a38af0feb5443431ddf60e8e [0,2,0,0,0,0|1,1,0]=4 1082 B12R1.29 CCCNC(=O)c1nc(cs1)C 639e37ffe1feb7950a5ace78d01e6244 [0,2,0,0,0,0|1,1,0]=4 1083 B12R1.29 CCCNC(=O)c1nc(cs1)Cl 1f667c11993df67d4fd74c1e476ebd46 [0,2,0,0,0,0|1,1,0]=4 1084 B12R1.29 CCCNC(=O)c1nc(no1)C abe8022976eafbc472990b0cedbb4581 [0,2,0,0,0,0|2,0,0]=4 1085 B12R1.29 CCCNC(=O)c1ncc(o1)Br 59344be2df3b891a7bce8afcc07324c7 [0,2,0,0,0,0|1,0,0]=3 1086 B12R1.29 CCCNC(=O)c1ncc(o1)C a749cbf26b6fa9d7a68209296d15dc84 [0,2,0,0,0,0|1,0,0]=3 1087 B12R1.29 CCCNC(=O)c1ncc(s1)Br 629ab25ced4683b79559a12d9927a70a [0,2,0,0,0,0|1,1,0]=4 1088 B12R1.29 CCCNC(=O)c1ncc(s1)C 902d1c515c1f02e708b223eaf129c345 [0,2,0,0,0,0|1,1,0]=4 1089 B12R1.29 CCCNC(=O)c1nnc(o1)C 24f542fb0869da94323a90a6a24b3b21 [0,2,0,0,0,0|2,0,0]=4 1090 B12R1.29 CCCNC(C)c1ccc(o1)C f67d3c7cc5122f3180d8cff508c5ff2d [0,2,0,0,0,0|1,0,1]=4 1091 B12R1.29 CCCN[C@H](C)c1ccc(o1)C d23ccfc5d8626157b75eaaa0bbea01fc [0,2,0,0,0,0|1,0,1]=4 1092 B12R1.29 COCCN(C)c1ccc(o1)C 71dda6d676bce0f8de07b4b65768c4cd [0,2,0,0,0,0|2,0,0]=4 1093 B12R1.29 CSCCN(C)c1ccc(o1)C 05fe02972360bb32db196dc6e5f15ab5 [0,2,0,0,0,0|2,0,0]=4 1094 B12R1.29 Cc1cc(on1)C(=O)NCCBr 4fb186a85b7466b86fe905d0a72f2b0e [0,2,0,0,0,0|2,0,0]=4 1095 B12R1.29 Cc1cc(on1)C(=O)NCCF e77ed50bac4108f029eec965189752f1 [0,2,0,0,0,0|2,0,0]=4 1096 B12R1.29 Cc1cc(on1)C(=O)NCCI 10a26634a5fa356b0ee536d05215d17d [0,2,0,0,0,0|2,0,0]=4 1097 B12R1.29 Cc1cc(on1)C(=O)NCCO fdb0154c101ea73b1063010f5f67d70e [0,2,0,0,0,0|2,0,0]=4 1098 B12R1.29 Cc1cc(on1)C(=O)NCCS cc834541c7b392f0d72cb294013c76a8 [0,2,0,0,0,0|2,0,0]=4 1099 B12R1.29 Cc1ccc(o1)C(=O)CNC#N 0e4ec6927489f1d749cba66155ed0d8d [0,2,0,0,0,0|1,0,1]=4 1100 B12R1.29 Cc1ccc(o1)C(=O)NCC#N d1bff0e3ac91453190adb961f3259477 [0,2,0,0,0,0|1,0,1]=4 1101 B12R1.29 Cc1ccc(o1)C(=O)NCCBr 1976370165bd9e115d577a9cf2d38418 [0,2,0,0,0,0|1,0,0]=3 1102 B12R1.29 Cc1ccc(o1)C(=O)NCCF e9256ee3327de9d1981d513cf7b6b076 [0,2,0,0,0,0|1,0,0]=3 1103 B12R1.29 Cc1ccc(o1)C(=O)NCCI 7a3f480de5124339c96df83571160f71 [0,2,0,0,0,0|1,0,0]=3 1104 B12R1.29 Cc1ccc(o1)C(=O)NCCO bf77870bebccf0a7cef09871885fee21 [0,2,0,0,0,0|1,0,0]=3 1105 B12R1.29 Cc1ccc(o1)C(=O)NCCS cd206eb1148f595c6b95744be811d86b [0,2,0,0,0,0|1,0,0]=3 1106 B12R1.29 Cc1ccc(o1)N(C)CCCO 6b14d22d28449bd76d1d2bd131047050 [0,2,0,0,0,0|2,0,0]=4 1107 B12R1.29 Cc1ccc(s1)C(=O)NCCBr 231fb7cdb6128a2a8804373f11396862 [0,2,0,0,0,0|1,1,0]=4 1108 B12R1.29 Cc1ccc(s1)C(=O)NCCF 0bc36d774a29857c387f440b062139ff [0,2,0,0,0,0|1,1,0]=4 1109 B12R1.29 Cc1ccc(s1)C(=O)NCCI 963a9eae366bbbfacae98d046978601b [0,2,0,0,0,0|1,1,0]=4 1110 B12R1.29 Cc1ccc(s1)C(=O)NCCO a1ff210591b486de6e98356d512c7b61 [0,2,0,0,0,0|1,1,0]=4 1111 B12R1.29 Cc1ccc(s1)C(=O)NCCS dc10fecb1c508ef46a6baad7c80d9012 [0,2,0,0,0,0|1,1,0]=4 1112 B12R1.29 Cc1cnc(o1)C(=O)NCCBr a2163b9b0a73740e4e7052d03331a77b [0,2,0,0,0,0|2,0,0]=4 1113 B12R1.29 Cc1cnc(o1)C(=O)NCCF 0fecb242e1603547c14e6cc13b39791c [0,2,0,0,0,0|2,0,0]=4 1114 B12R1.29 Cc1cnc(o1)C(=O)NCCI 69e0d8abceae45906ce2a5fb956fd1c7 [0,2,0,0,0,0|2,0,0]=4 1115 B12R1.29 Cc1cnc(o1)C(=O)NCCO 31c390c2734f7f9353d74c4761935701 [0,2,0,0,0,0|2,0,0]=4 1116 B12R1.29 Cc1cnc(o1)C(=O)NCCS 3fbcfc02f9bf8778a895083ac6b96f06 [0,2,0,0,0,0|2,0,0]=4 1117 B12R1.29 Cc1coc(c1)C(=O)NCC#N 8f65ac7dd3fe8c1c5eaea4ede5f6c14e [0,2,0,0,0,0|1,0,1]=4 1118 B12R1.29 Cc1coc(c1)C(=O)NCCBr 9df332631fa993b40646f091751ba9a3 [0,2,0,0,0,0|1,0,0]=3 1119 B12R1.29 Cc1coc(c1)C(=O)NCCF 76619d712d9dc6834d59a939666ade85 [0,2,0,0,0,0|1,0,0]=3 1120 B12R1.29 Cc1coc(c1)C(=O)NCCI c6be568e858ef2a05bfaa17f8da7810c [0,2,0,0,0,0|1,0,0]=3 1121 B12R1.29 Cc1coc(c1)C(=O)NCCO 099173875a299d51a3b49a41c6b8f665 [0,2,0,0,0,0|1,0,0]=3 1122 B12R1.29 Cc1coc(c1)C(=O)NCCS 33ad353cae195e6c1d1e42b98bbff63a [0,2,0,0,0,0|1,0,0]=3 1123 B12R1.29 Cc1coc(n1)C(=O)NCCBr 68c71db269a8b572b8a9c24650d78a0f [0,2,0,0,0,0|2,0,0]=4 1124 B12R1.29 Cc1coc(n1)C(=O)NCCF 6440dc947fed0dcfe072182149a1a7b2 [0,2,0,0,0,0|2,0,0]=4 1125 B12R1.29 Cc1coc(n1)C(=O)NCCI 224a1db2c840052dfa0645e663ea6025 [0,2,0,0,0,0|2,0,0]=4 1126 B12R1.29 Cc1coc(n1)C(=O)NCCO 35fc48259cd660a5ddfe479ed7cd7bec [0,2,0,0,0,0|2,0,0]=4 1127 B12R1.29 Cc1coc(n1)C(=O)NCCS 5b56e3e948fd404326eaf9e773a32e6c [0,2,0,0,0,0|2,0,0]=4 1128 B12R1.29 Cc1csc(c1)C(=O)NCCF 7e11bacf0d9b7cfb08139ce8aa838f25 [0,2,0,0,0,0|1,1,0]=4 1129 B12R1.29 Cc1csc(c1)C(=O)NCCI a60fd679507d2ad0de7c04d2a68a4b8c [0,2,0,0,0,0|1,1,0]=4 1130 B12R1.29 Cc1csc(c1)C(=O)NCCO a3f50ebb232efe2da1306f59b06eeebb [0,2,0,0,0,0|1,1,0]=4 1131 B12R1.29 Cc1csc(c1)C(=O)NCCS 542ab7a1aaad277aa274c1676d9acfc1 [0,2,0,0,0,0|1,1,0]=4 1132 B12R1.29 Cc1ncc(o1)C(=O)NCCBr 5da4f960659a92fedda80491e0ea386d [0,2,0,0,0,0|2,0,0]=4 1133 B12R1.29 Cc1ncc(o1)C(=O)NCCF e207bed84a0c3272b857d3a9fdbbc051 [0,2,0,0,0,0|2,0,0]=4 1134 B12R1.29 Cc1ncc(o1)C(=O)NCCI d7005966a95996713a4213f8ea716801 [0,2,0,0,0,0|2,0,0]=4 1135 B12R1.29 Cc1ncc(o1)C(=O)NCCO 82ce1ba7adcaac5aeeedde01d8d47e60 [0,2,0,0,0,0|2,0,0]=4 1136 B12R1.29 Cc1ncc(o1)C(=O)NCCS 8d8d1d26f126e12fa24e8bb541d30d10 [0,2,0,0,0,0|2,0,0]=4 1137 B12R1.29 N#CCNC(=O)c1cc(co1)Br cf1dbdf5c3c83f23e75c2833228331cc [0,2,0,0,0,0|1,0,1]=4 1138 B12R1.29 N#CCNC(=O)c1cc(co1)Cl 36f3bfa133149a1caae0a8e9e11130f3 [0,2,0,0,0,0|1,0,1]=4 1139 B12R1.29 N#CCNC(=O)c1ccc(o1)Br db9f14961d176bea8c3797d87c006883 [0,2,0,0,0,0|1,0,1]=4 1140 B12R1.29 N#CCNC(=O)c1ccc(o1)Cl 6612d97e420a079fe2952ad701996f35 [0,2,0,0,0,0|1,0,1]=4 1141 B12R1.29 N#CCNC(=O)c1ccc(o1)F b80800e4d7b51c8db56668e3fd35a6b2 [0,2,0,0,0,0|1,0,1]=4 1142 B12R1.29 N#CCNC(=O)c1ccc(o1)I e12dd31c02676f64d89f88e4a6361a0d [0,2,0,0,0,0|1,0,1]=4 1143 B12R1.29 O=C(NCCBr)c1cc(co1)Br 1921ded338f8326c0ffc1ccee5d72437 [0,2,0,0,0,0|1,0,0]=3 1144 B12R1.29 O=C(NCCBr)c1cc(co1)Cl 8e7e48603983720c0561329840c30848 [0,2,0,0,0,0|1,0,0]=3 1145 B12R1.29 O=C(NCCBr)c1cc(cs1)Br 1d98f8632f72d2e623b68775042ebb1d [0,2,0,0,0,0|1,1,0]=4 1146 B12R1.29 O=C(NCCBr)c1cc(cs1)O 68c313d39656c626b2e6042c7c778497 [0,2,0,0,0,0|1,1,0]=4 1147 B12R1.29 O=C(NCCBr)c1cc(no1)Br ee2dfbcf5a8ee06c8c15a92d956ef6e8 [0,2,0,0,0,0|2,0,0]=4 1148 B12R1.29 O=C(NCCBr)c1cc(no1)Cl 6ea523f4def766035693f8f83f018678 [0,2,0,0,0,0|2,0,0]=4 1149 B12R1.29 O=C(NCCBr)c1cc(no1)O 2a2ef7bdc51208679ac70364e156b52f [0,2,0,0,0,0|2,0,0]=4 1150 B12R1.29 O=C(NCCBr)c1ccc(o1)Br cdc9f7bbd765aa9216048193d611d60f [0,2,0,0,0,0|1,0,0]=3 1151 B12R1.29 O=C(NCCBr)c1ccc(o1)Cl 09d8c61c8ad62ce03e775e895a76f677 [0,2,0,0,0,0|1,0,0]=3 1152 B12R1.29 O=C(NCCBr)c1ccc(o1)F 35c304bda5349c28898ef4614ada650d [0,2,0,0,0,0|1,0,0]=3 1153 B12R1.29 O=C(NCCBr)c1ccc(o1)I 095fd697eae55c9604d66f2700469fc0 [0,2,0,0,0,0|1,0,0]=3 1154 B12R1.29 O=C(NCCBr)c1ccc(s1)F c18c57d7027d6681c7708b596b071454 [0,2,0,0,0,0|1,1,0]=4 1155 B12R1.29 O=C(NCCBr)c1ccc(s1)I ba52aa7f405b357c85a46d58c8ff9ee5 [0,2,0,0,0,0|1,1,0]=4 1156 B12R1.29 O=C(NCCBr)c1cnc(o1)Br 125bb23259a297047fe55a704835d4ec [0,2,0,0,0,0|2,0,0]=4 1157 B12R1.29 O=C(NCCBr)c1cnc(o1)Cl d34c241bfc9128aff18c825b539d0ee5 [0,2,0,0,0,0|2,0,0]=4 1158 B12R1.29 O=C(NCCBr)c1cnc(o1)I 2e934e973dbe0ec05738472b75149a19 [0,2,0,0,0,0|2,0,0]=4 1159 B12R1.29 O=C(NCCBr)c1cnc(o1)O 77c99bc55f28562bf821862cd286d362 [0,2,0,0,0,0|2,0,0]=4 1160 B12R1.29 O=C(NCCBr)c1nc(co1)Br 9bbaaef517250059d343da697bbaf911 [0,2,0,0,0,0|2,0,0]=4 1161 B12R1.29 O=C(NCCBr)c1ncc(o1)Br e5407264172699477f6639e4f3d601e9 [0,2,0,0,0,0|2,0,0]=4 1162 B12R1.29 O=C(NCCF)c1cc(co1)Br 803cdce98b76139139c3c8cb74fec13a [0,2,0,0,0,0|1,0,0]=3 1163 B12R1.29 O=C(NCCF)c1cc(co1)Cl 336c12622d18e99cece0576b2545c752 [0,2,0,0,0,0|1,0,0]=3 1164 B12R1.29 O=C(NCCF)c1cc(cs1)Br cce3ea56bfae2c319bce40b44e2b1aeb [0,2,0,0,0,0|1,1,0]=4 1165 B12R1.29 O=C(NCCF)c1cc(cs1)Cl 4d800181d53ecef4549c3666203fd2e5 [0,2,0,0,0,0|1,1,0]=4 1166 B12R1.29 O=C(NCCF)c1cc(cs1)F 53b04f8c8aa70e6b3ae45a9dc9c04582 [0,2,0,0,0,0|1,1,0]=4 1167 B12R1.29 O=C(NCCF)c1cc(cs1)O 916429a5416b2602693951eaff8fba42 [0,2,0,0,0,0|1,1,0]=4 1168 B12R1.29 O=C(NCCF)c1cc(no1)Br 523e74e36cff6ccad6734cc34d57a06c [0,2,0,0,0,0|2,0,0]=4 1169 B12R1.29 O=C(NCCF)c1cc(no1)Cl c9e06fa7de7266e3d47f4359ca13c4ea [0,2,0,0,0,0|2,0,0]=4 1170 B12R1.29 O=C(NCCF)c1cc(no1)O 6802b97c9f95fce8de7f9873dd04612c [0,2,0,0,0,0|2,0,0]=4 1171 B12R1.29 O=C(NCCF)c1ccc(o1)Br dee47b280e278232c7604e8870c574c5 [0,2,0,0,0,0|1,0,0]=3 1172 B12R1.29 O=C(NCCF)c1ccc(o1)Cl 41a117e4dfe68b80c6d5695c166ec095 [0,2,0,0,0,0|1,0,0]=3 1173 B12R1.29 O=C(NCCF)c1ccc(o1)F 3069db320f9110af93ca6b125306b1ae [0,2,0,0,0,0|1,0,0]=3 1174 B12R1.29 O=C(NCCF)c1ccc(o1)I 9decc9f275576393751b16d6fa720bc8 [0,2,0,0,0,0|1,0,0]=3 1175 B12R1.29 O=C(NCCF)c1ccc(s1)Br dbf5eb94b0be9597f70d45584de0486a [0,2,0,0,0,0|1,1,0]=4 1176 B12R1.29 O=C(NCCF)c1ccc(s1)Cl 72e8d4ed0d530ab269b6b54992b193f8 [0,2,0,0,0,0|1,1,0]=4 1177 B12R1.29 O=C(NCCF)c1ccc(s1)F 143bed4e578c740a3584ac147fef6e72 [0,2,0,0,0,0|1,1,0]=4 1178 B12R1.29 O=C(NCCF)c1ccc(s1)I 6dbee7019b66499198fa11b276d01c81 [0,2,0,0,0,0|1,1,0]=4 1179 B12R1.29 O=C(NCCF)c1cnc(o1)Br 611ae168ac7cb2ee9a57c3a76714c1e2 [0,2,0,0,0,0|2,0,0]=4 1180 B12R1.29 O=C(NCCF)c1cnc(o1)Cl 7ee2d155b6f43df3a86d632990b7a64e [0,2,0,0,0,0|2,0,0]=4 1181 B12R1.29 O=C(NCCF)c1cnc(o1)I ac5d92d908b1d8156e90e4aa5fd3dd20 [0,2,0,0,0,0|2,0,0]=4 1182 B12R1.29 O=C(NCCF)c1cnc(o1)O f08ba0c4c409842eeede2c2a3caaee9a [0,2,0,0,0,0|2,0,0]=4 1183 B12R1.29 O=C(NCCF)c1nc(co1)Br 39b336a5be9de39d626194006aa418bd [0,2,0,0,0,0|2,0,0]=4 1184 B12R1.29 O=C(NCCF)c1ncc(o1)Br efe482af05fcb714c63a03bcf68f1e65 [0,2,0,0,0,0|2,0,0]=4 1185 B12R1.29 O=C(NCCI)c1cc(co1)Br 594eb414f59773ba7a232d2a761bb65b [0,2,0,0,0,0|1,0,0]=3 1186 B12R1.29 O=C(NCCI)c1cc(co1)Cl b659af50bd579d65a5f19827097e75fd [0,2,0,0,0,0|1,0,0]=3 1187 B12R1.29 O=C(NCCI)c1cc(cs1)Br 4ceaa44a52bad19038ced32af718453e [0,2,0,0,0,0|1,1,0]=4 1188 B12R1.29 O=C(NCCI)c1cc(cs1)Cl e5edb2a5d5bbda8bcb7d425a12ba2539 [0,2,0,0,0,0|1,1,0]=4 1189 B12R1.29 O=C(NCCI)c1cc(cs1)F 055abbdb617cc81cc71d8c9dde085248 [0,2,0,0,0,0|1,1,0]=4 1190 B12R1.29 O=C(NCCI)c1cc(cs1)O 22b140367c3171127355adaeaec5099d [0,2,0,0,0,0|1,1,0]=4 1191 B12R1.29 O=C(NCCI)c1cc(no1)Br 3fb94b92f6baddb9bd694d545a29719e [0,2,0,0,0,0|2,0,0]=4 1192 B12R1.29 O=C(NCCI)c1cc(no1)Cl 11d3a400b146d65b2cbb69184c5c5683 [0,2,0,0,0,0|2,0,0]=4 1193 B12R1.29 O=C(NCCI)c1cc(no1)O c6311171d7d5d81e870eb85f310f0226 [0,2,0,0,0,0|2,0,0]=4 1194 B12R1.29 O=C(NCCI)c1ccc(o1)Br 8c576de7d862d5fb04a85e81baf165e4 [0,2,0,0,0,0|1,0,0]=3 1195 B12R1.29 O=C(NCCI)c1ccc(o1)Cl 1fcce1a0ec9116dd5e677b3480371b4b [0,2,0,0,0,0|1,0,0]=3 1196 B12R1.29 O=C(NCCI)c1ccc(o1)F 7a8fa7405ec9d933d7c1f64d8f3bb205 [0,2,0,0,0,0|1,0,0]=3 1197 B12R1.29 O=C(NCCI)c1ccc(o1)I f1cf6208261e243d32a1aa51ec0c57c2 [0,2,0,0,0,0|1,0,0]=3 1198 B12R1.29 O=C(NCCI)c1ccc(s1)Br 25cf163e4443c193dfa6065d7788b61d [0,2,0,0,0,0|1,1,0]=4 1199 B12R1.29 O=C(NCCI)c1ccc(s1)Cl 89beea4380467648151bc4fb2e025a66 [0,2,0,0,0,0|1,1,0]=4 1200 B12R1.29 O=C(NCCI)c1ccc(s1)F aa710fecfa69beaa0af3239990826e05 [0,2,0,0,0,0|1,1,0]=4 1201 B12R1.29 O=C(NCCI)c1ccc(s1)I 31eecea351bb881ed5389525f39e80e2 [0,2,0,0,0,0|1,1,0]=4 1202 B12R1.29 O=C(NCCI)c1cnc(o1)Br 459467c044ba9dee65869b8caac7b31a [0,2,0,0,0,0|2,0,0]=4 1203 B12R1.29 O=C(NCCI)c1cnc(o1)Cl e428ebd906247a7192acea1174e22529 [0,2,0,0,0,0|2,0,0]=4 1204 B12R1.29 O=C(NCCI)c1cnc(o1)I f4e460fc4632b228b402ec8c3571dbd2 [0,2,0,0,0,0|2,0,0]=4 1205 B12R1.29 O=C(NCCI)c1cnc(o1)O 6a5fa06a7cabbaef273666bfd25304e5 [0,2,0,0,0,0|2,0,0]=4 1206 B12R1.29 O=C(NCCI)c1nc(co1)Br bae4c4e33e14e9610dc07a00f6cbafaf [0,2,0,0,0,0|2,0,0]=4 1207 B12R1.29 O=C(NCCI)c1ncc(o1)Br 9994851a3f4ef3ed57ead4bdbf4feb98 [0,2,0,0,0,0|2,0,0]=4 1208 B12R1.29 O=C(NCCO)c1cc(co1)Br aa96f30b601dfd6a62187fdf0120f5a5 [0,2,0,0,0,0|1,0,0]=3 1209 B12R1.29 O=C(NCCO)c1cc(co1)Cl 7df0808c0d2f326f0497eb2f6d75f224 [0,2,0,0,0,0|1,0,0]=3 1210 B12R1.29 O=C(NCCO)c1cc(cs1)Br 16c2cdc01968787b7958d6903646de3d [0,2,0,0,0,0|1,1,0]=4 1211 B12R1.29 O=C(NCCO)c1cc(cs1)Cl d687ab9ef82c176f275c92d24b499eb1 [0,2,0,0,0,0|1,1,0]=4 1212 B12R1.29 O=C(NCCO)c1cc(cs1)F c105dfa9facb38f622682877381b6025 [0,2,0,0,0,0|1,1,0]=4 1213 B12R1.29 O=C(NCCO)c1cc(cs1)O 79df12c9aaa54bf648bf72b00e4bee53 [0,2,0,0,0,0|1,1,0]=4 1214 B12R1.29 O=C(NCCO)c1cc(no1)Br c652ff4e624151f6b69bedcb0b43ea6a [0,2,0,0,0,0|2,0,0]=4 1215 B12R1.29 O=C(NCCO)c1cc(no1)Cl bc7db046adae9cd8613dbf3966766652 [0,2,0,0,0,0|2,0,0]=4 1216 B12R1.29 O=C(NCCO)c1cc(no1)O 88ffe78d17bde7ad30b102cb7d8635bc [0,2,0,0,0,0|2,0,0]=4 1217 B12R1.29 O=C(NCCO)c1ccc(o1)Br 3ee9ab02ecd015ae20ac87b239eae60c [0,2,0,0,0,0|1,0,0]=3 1218 B12R1.29 O=C(NCCO)c1ccc(o1)Cl 2cd22fe021fee93ecce15335e8f348ee [0,2,0,0,0,0|1,0,0]=3 1219 B12R1.29 O=C(NCCO)c1ccc(o1)F 7347da9cf1ed270bc84918b1e3bf42d5 [0,2,0,0,0,0|1,0,0]=3 1220 B12R1.29 O=C(NCCO)c1ccc(o1)I 9561cdf8f6a7e2f27a433506e3fd9d5c [0,2,0,0,0,0|1,0,0]=3 1221 B12R1.29 O=C(NCCO)c1ccc(s1)Br f4eaa42654bcefb4412a2a3a8e1b9115 [0,2,0,0,0,0|1,1,0]=4 1222 B12R1.29 O=C(NCCO)c1ccc(s1)Cl 15197255ee455159328fc4b0d92457bd [0,2,0,0,0,0|1,1,0]=4 1223 B12R1.29 O=C(NCCO)c1ccc(s1)F 341fa5b43b148eb4f5a508363e8813ee [0,2,0,0,0,0|1,1,0]=4 1224 B12R1.29 O=C(NCCO)c1ccc(s1)I 1f6e1514df53ca111734910070640db9 [0,2,0,0,0,0|1,1,0]=4 1225 B12R1.29 O=C(NCCO)c1cnc(o1)Br e4bed761dd0729e634fcf139bbf1a975 [0,2,0,0,0,0|2,0,0]=4 1226 B12R1.29 O=C(NCCO)c1cnc(o1)Cl 0fdccbb820871f88beae796e64681bc0 [0,2,0,0,0,0|2,0,0]=4 1227 B12R1.29 O=C(NCCO)c1cnc(o1)I adfb6527890fcecc74b93b8eb63f716a [0,2,0,0,0,0|2,0,0]=4 1228 B12R1.29 O=C(NCCO)c1cnc(o1)O e9471eb5fdb73a33bda69f3b3e9185b7 [0,2,0,0,0,0|2,0,0]=4 1229 B12R1.29 O=C(NCCO)c1nc(co1)Br eeaa2af1f971875e3709a2cd2da0aa3c [0,2,0,0,0,0|2,0,0]=4 1230 B12R1.29 O=C(NCCO)c1ncc(o1)Br 63a6b350df41bff7cd70c6c77eb74ae8 [0,2,0,0,0,0|2,0,0]=4 1231 B12R1.29 O=C(NCCS)c1cc(co1)Br 9a18e82def4c6cf01226d0446d83fbea [0,2,0,0,0,0|1,0,0]=3 1232 B12R1.29 O=C(NCCS)c1cc(co1)Cl 7c9c7b086d17eff895c4d2e3c5130a76 [0,2,0,0,0,0|1,0,0]=3 1233 B12R1.29 O=C(NCCS)c1cc(cs1)Br 4442465a5904c78f882b2ac58eb6bf7e [0,2,0,0,0,0|1,1,0]=4 1234 B12R1.29 O=C(NCCS)c1cc(cs1)Cl 72355003a8d9eb7eb56e76de2a6790d4 [0,2,0,0,0,0|1,1,0]=4 1235 B12R1.29 O=C(NCCS)c1cc(cs1)F 14fb39a6227c7a135616d61aa94e2da6 [0,2,0,0,0,0|1,1,0]=4 1236 B12R1.29 O=C(NCCS)c1cc(cs1)O 40f4f0c77f728d401477a0332d21fbdc [0,2,0,0,0,0|1,1,0]=4 1237 B12R1.29 O=C(NCCS)c1cc(no1)Br 938961b1e373c901d71950c911c64522 [0,2,0,0,0,0|2,0,0]=4 1238 B12R1.29 O=C(NCCS)c1cc(no1)Cl 0663195aca05be661d0655ae6dac440c [0,2,0,0,0,0|2,0,0]=4 1239 B12R1.29 O=C(NCCS)c1cc(no1)O 1da9ada0bfea1c5a9a87dee7bd855790 [0,2,0,0,0,0|2,0,0]=4 1240 B12R1.29 O=C(NCCS)c1ccc(o1)Br f573d334bad2a09f348fb020a5488a8c [0,2,0,0,0,0|1,0,0]=3 1241 B12R1.29 O=C(NCCS)c1ccc(o1)Cl 41f349734d3b319ff480ee186527e4f6 [0,2,0,0,0,0|1,0,0]=3 1242 B12R1.29 O=C(NCCS)c1ccc(o1)F 8485b3a584a1c3a71b8bf56bba1c2f56 [0,2,0,0,0,0|1,0,0]=3 1243 B12R1.29 O=C(NCCS)c1ccc(o1)I b36f59d008cf8f54b43beab559204ecf [0,2,0,0,0,0|1,0,0]=3 1244 B12R1.29 O=C(NCCS)c1ccc(s1)Br ed1e9d1a947f2e35f9afa960fd4b47d1 [0,2,0,0,0,0|1,1,0]=4 1245 B12R1.29 O=C(NCCS)c1ccc(s1)Cl 6df2cc69ddfeda4a68d2c1653ac198b3 [0,2,0,0,0,0|1,1,0]=4 1246 B12R1.29 O=C(NCCS)c1ccc(s1)F 1bb099a11949810c903780cb1430bd98 [0,2,0,0,0,0|1,1,0]=4 1247 B12R1.29 O=C(NCCS)c1ccc(s1)I 34ec60f5d57e2e771649c403cf7af428 [0,2,0,0,0,0|1,1,0]=4 1248 B12R1.29 O=C(NCCS)c1cnc(o1)Br 9e40ea1957719de156d650ca6f2591da [0,2,0,0,0,0|2,0,0]=4 1249 B12R1.29 O=C(NCCS)c1cnc(o1)Cl 690d41aff47762bc425afa61e2704c44 [0,2,0,0,0,0|2,0,0]=4 1250 B12R1.29 O=C(NCCS)c1cnc(o1)I 5b04cd26ff2f8dd91823f3ca0515d7cd [0,2,0,0,0,0|2,0,0]=4 1251 B12R1.29 O=C(NCCS)c1cnc(o1)O 4c23ac1e7277c23230f45a3afdae9747 [0,2,0,0,0,0|2,0,0]=4 1252 B12R1.29 O=C(NCCS)c1nc(co1)Br 25d122904598dae75f19fc101726a71d [0,2,0,0,0,0|2,0,0]=4 1253 B12R1.29 O=C(NCCS)c1ncc(o1)Br d2be5e29f4fbb2d017d7bf10e932a19b [0,2,0,0,0,0|2,0,0]=4 1254 B12R1.33 CCC(C)N(C)c1ccc(o1)C 9fa362f7b989e948d79065bfde7fd6b1 [0,2,0,0,0,0|2,0,0]=4 1255 B12R1.33 CCN(C)C(=O)c1cc(co1)Br 133423547a79c2c0a178455fc705309a [0,2,0,0,0,0|1,0,0]=3 1256 B12R1.33 CCN(C)C(=O)c1cc(co1)C a077462015d26bd29e6bfc8126f6e100 [0,2,0,0,0,0|1,0,0]=3 1257 B12R1.33 CCN(C)C(=O)c1cc(co1)Cl 711b4b8c947b4a2346e05c7deb3869d9 [0,2,0,0,0,0|1,0,0]=3 1258 B12R1.33 CCN(C)C(=O)c1cc(cs1)Br 4f14c1393ac2dc872ce509c8489e13b8 [0,2,0,0,0,0|1,1,0]=4 1259 B12R1.33 CCN(C)C(=O)c1cc(cs1)C f56e8bc7e36fcdbc63a43358bb2397d4 [0,2,0,0,0,0|1,1,0]=4 1260 B12R1.33 CCN(C)C(=O)c1cc(cs1)Cl 275f5243d8b4440ded5270b2c007e2b8 [0,2,0,0,0,0|1,1,0]=4 1261 B12R1.33 CCN(C)C(=O)c1cc(cs1)F bc041f011ca657fb1e50240fe9aad079 [0,2,0,0,0,0|1,1,0]=4 1262 B12R1.33 CCN(C)C(=O)c1cc(cs1)O a3112c5f96d0396fa7182b8086e71826 [0,2,0,0,0,0|1,1,0]=4 1263 B12R1.33 CCN(C)C(=O)c1cc(no1)Br 9c6b9ac36d4eb65b520e0a019271b286 [0,2,0,0,0,0|2,0,0]=4 1264 B12R1.33 CCN(C)C(=O)c1cc(no1)C 58645013ec3e1fc97679f7ae5260c6ef [0,2,0,0,0,0|2,0,0]=4 1265 B12R1.33 CCN(C)C(=O)c1cc(no1)Cl d71d040aa26d43af761e79ad7bb6ad27 [0,2,0,0,0,0|2,0,0]=4 1266 B12R1.33 CCN(C)C(=O)c1cc(no1)O 4902c94bfe5dd01f3e35ce6a04798298 [0,2,0,0,0,0|2,0,0]=4 1267 B12R1.33 CCN(C)C(=O)c1ccc(o1)Br 43f6e03bac2d70310b785fe5a214eaee [0,2,0,0,0,0|1,0,0]=3 1268 B12R1.33 CCN(C)C(=O)c1ccc(o1)C 2c2280fb911e4d6e0833121314681f9e [0,2,0,0,0,0|1,0,0]=3 1269 B12R1.33 CCN(C)C(=O)c1ccc(o1)Cl ef567198d8877e6747c747d0ae5564ca [0,2,0,0,0,0|1,0,0]=3 1270 B12R1.33 CCN(C)C(=O)c1ccc(o1)F 0cdea276156e0a9fd04b462b7dac72ae [0,2,0,0,0,0|1,0,0]=3 1271 B12R1.33 CCN(C)C(=O)c1ccc(o1)I e2a4f1408531bc19f5d0cf21d3284c23 [0,2,0,0,0,0|1,0,0]=3 1272 B12R1.33 CCN(C)C(=O)c1ccc(s1)Br c542b6ab92c493af7820480fbd990916 [0,2,0,0,0,0|1,1,0]=4 1273 B12R1.33 CCN(C)C(=O)c1ccc(s1)C 70d1f01026c45bc4feb0cfdab82d6176 [0,2,0,0,0,0|1,1,0]=4 1274 B12R1.33 CCN(C)C(=O)c1ccc(s1)Cl e0601dbdab6aba2d3ada8146a48d6f71 [0,2,0,0,0,0|1,1,0]=4 1275 B12R1.33 CCN(C)C(=O)c1ccc(s1)F a07191dacf4bf9b96181f4c3ba26885a [0,2,0,0,0,0|1,1,0]=4 1276 B12R1.33 CCN(C)C(=O)c1ccc(s1)I 5b96c58d25d10b02ac4fd042ba4c13c8 [0,2,0,0,0,0|1,1,0]=4 1277 B12R1.33 CCN(C)C(=O)c1cnc(o1)Br 801c27013b7193e04aa0021cad094916 [0,2,0,0,0,0|2,0,0]=4 1278 B12R1.33 CCN(C)C(=O)c1cnc(o1)C 242ce9170f97805fe3cd68551c9f02d3 [0,2,0,0,0,0|2,0,0]=4 1279 B12R1.33 CCN(C)C(=O)c1cnc(o1)Cl 83b4f6de8dc02199d7c8516c89ff519c [0,2,0,0,0,0|2,0,0]=4 1280 B12R1.33 CCN(C)C(=O)c1cnc(o1)I bbaeace531289d99974732973ca98de4 [0,2,0,0,0,0|2,0,0]=4 1281 B12R1.33 CCN(C)C(=O)c1cnc(o1)O 47fbf1e058f209ad728d79be35711cc5 [0,2,0,0,0,0|2,0,0]=4 1282 B12R1.33 CCN(C)C(=O)c1nc(co1)Br 08a6880998d6cd2d5f17f5fcadecce81 [0,2,0,0,0,0|2,0,0]=4 1283 B12R1.33 CCN(C)C(=O)c1nc(co1)C 1374d47548e23b4adce8f196035b4660 [0,2,0,0,0,0|2,0,0]=4 1284 B12R1.33 CCN(C)C(=O)c1ncc(o1)Br 3024004185c92f883322432147bc0fac [0,2,0,0,0,0|2,0,0]=4 1285 B12R1.33 CCN(C)C(=O)c1ncc(o1)C f964b35350fcff62b7fe6a962eec5038 [0,2,0,0,0,0|2,0,0]=4 1286 B12R1.103 Cc1ccc(o1)N(C)CC(C)C 62da261c89a4ac410f67a7194dc141ea [0,2,0,0,0,0|2,0,0]=4 1287 B12R1.103 Cc1ccc(o1)N(C)CC(C)O b86e4896886f1e10f0906f11f60f9516 [0,2,0,0,0,0|2,0,0]=4 1288 B12R1.103 Cc1ccc(o1)N(C)C[C@H](C)O 096a62cc29a90a334d477579bc09cb3c [0,2,0,0,0,0|2,0,0]=4 1289 B12R1.312 CCCN(C)c1ccc(o1)C=O d3a2b50639d5ab3b9b7e45d9bb71eeca [0,2,0,0,0,0|2,0,0]=4 1290 B12R1.15 C#CC(C)NC(=O)c1ccco1 acf53c64bda85bed11fa26ffb2321f92 [0,2,0,0,0,0|1,0,0]=3 1291 B12R1.15 C#CC(C)NC(=O)c1cccs1 4cd9ad35782ea191779862b44d9081b0 [0,2,0,0,0,0|1,1,0]=4 1292 B12R1.15 C#CC(C)NC(=O)c1ccno1 2a38507928626cb7d75356bf90277b36 [0,2,0,0,0,0|2,0,0]=4 1293 B12R1.15 C#CC(C)NC(=O)c1cnco1 6039f7ca7ca83be2a69e08ab4ecfcc09 [0,2,0,0,0,0|2,0,0]=4 1294 B12R1.15 C#CC(C)NC(=O)c1ncco1 d26679d7a920bbb09ae175f8142e26eb [0,2,0,0,0,0|2,0,0]=4 1295 B12R1.15 C#C[C@@H](C)NC(=O)c1ccco1 dee126210f4701577e628e6489df5887 [0,2,0,0,0,0|1,0,0]=3 1296 B12R1.15 C#C[C@@H](C)NC(=O)c1cccs1 5dc0764491c7439fd5f0fa661e68e6ea [0,2,0,0,0,0|1,1,0]=4 1297 B12R1.15 C#C[C@@H](C)NC(=O)c1ccno1 697d5493213cc3f588db7f809309b423 [0,2,0,0,0,0|2,0,0]=4 1298 B12R1.15 C#C[C@@H](C)NC(=O)c1cnco1 75a8a857b588cd64c42398a5c8ed4661 [0,2,0,0,0,0|2,0,0]=4 1299 B12R1.15 C#C[C@@H](C)NC(=O)c1ncco1 ed178e35c11eb96ccf705011334423f6 [0,2,0,0,0,0|2,0,0]=4 1300 B12R1.15 C#C[C@H](C)NC(=O)c1ccco1 e45622daf661591711a8ed3e6663f0d5 [0,2,0,0,0,0|1,0,0]=3 1301 B12R1.15 C#C[C@H](C)NC(=O)c1cccs1 9b3d71483aade9cf2d3823a2ef600ce3 [0,2,0,0,0,0|1,1,0]=4 1302 B12R1.15 C#C[C@H](C)NC(=O)c1ccno1 5ed0ab91d08410736a5d1919543beff0 [0,2,0,0,0,0|2,0,0]=4 1303 B12R1.15 C#C[C@H](C)NC(=O)c1cnco1 fea6fb49201991a4e7a2fa50516cf719 [0,2,0,0,0,0|2,0,0]=4 1304 B12R1.15 C#C[C@H](C)NC(=O)c1ncco1 55a14c29023701d3560bfece2b171ad0 [0,2,0,0,0,0|2,0,0]=4 1305 B12R1.15 C=CC(C)NC(=O)c1ccco1 0acb30d584490b4bbf12c94896988d7a [0,2,0,0,0,0|1,0,0]=3 1306 B12R1.15 C=CC(C)NC(=O)c1cccs1 da8083357b57d3d54a74e8cfb4c9c8f0 [0,2,0,0,0,0|1,1,0]=4 1307 B12R1.15 C=CC(C)NC(=O)c1ccno1 b7370a7456eab5395ea62754ae3aa5cd [0,2,0,0,0,0|2,0,0]=4 1308 B12R1.15 C=CC(C)NC(=O)c1cnco1 b9295ff35adef6259afa14366f158faf [0,2,0,0,0,0|2,0,0]=4 1309 B12R1.15 C=CC(C)NC(=O)c1ncco1 4464c8167ba511a7163ecf1b82678dc8 [0,2,0,0,0,0|2,0,0]=4 1310 B12R1.15 CC(C#N)NC(=O)c1ccco1 1c7a072ee7435cff8596ab3d9845cb31 [0,2,0,0,0,0|1,0,0]=3 1311 B12R1.15 CC(C#N)NC(=O)c1cccs1 03441030b7f1ba16be53ac7f5087fa23 [0,2,0,0,0,0|1,1,0]=4 1312 B12R1.15 CC(C#N)NC(=O)c1ccno1 c1f0919a11a972e98442ffe1135aa744 [0,2,0,0,0,0|2,0,0]=4 1313 B12R1.15 CC(C#N)NC(=O)c1cnco1 62ac59cab4859f40de7178d54bd4bfb2 [0,2,0,0,0,0|2,0,0]=4 1314 B12R1.15 CC(C#N)NC(=O)c1ncco1 9780c446fca9fe95e90d43ab9d9e0425 [0,2,0,0,0,0|2,0,0]=4 1315 B12R1.15 CC(CO)NC(=O)c1ccco1 4a09a19799d9a4d27122c3d98b299696 [0,2,0,0,0,0|1,0,0]=3 1316 B12R1.15 CC(CO)NC(=O)c1cccs1 13bcdefa9d9ab2808de0cf9d79d90b2f [0,2,0,0,0,0|1,1,0]=4 1317 B12R1.15 CC(CO)NC(=O)c1ccno1 0db85ff63aa129c5ba9a8637820a9f26 [0,2,0,0,0,0|2,0,0]=4 1318 B12R1.15 CC(CO)NC(=O)c1cnco1 0955db887c73d7c07a09c16ec258cfd9 [0,2,0,0,0,0|2,0,0]=4 1319 B12R1.15 CC(CO)NC(=O)c1ncco1 3b6c3836f70380a81f91778b4ac1d885 [0,2,0,0,0,0|2,0,0]=4 1320 B12R1.15 CCC(C)NC(=O)c1ccco1 9665ddfcb4b3c896f44fb86f6afbd5cf [0,2,0,0,0,0|0,0,0]=2 1321 B12R1.15 CCC(C)NC(=O)c1cccs1 94c0d5e815bee9ad8df0b19fb4ee9b3e [0,2,0,0,0,0|0,1,0]=3 1322 B12R1.15 CCC(C)NC(=O)c1ccno1 acb8c982d16758bd5c9ef19eb308e10c [0,2,0,0,0,0|1,0,0]=3 1323 B12R1.15 CCC(C)NC(=O)c1ccns1 7783bee2fadd1ad8331e6ae140fdbf2b [0,2,0,0,0,0|1,1,0]=4 1324 B12R1.15 CCC(C)NC(=O)c1ccoc1 ccb170d046030dfa7eeec624752a5d9c [0,2,0,0,0,0|2,0,0]=4 1325 B12R1.15 CCC(C)NC(=O)c1ccon1 0aa631bcceb8d3d94d0e5a08f82fb361 [0,2,0,0,0,0|2,0,0]=4 1326 B12R1.15 CCC(C)NC(=O)c1ccsc1 710bab33ff7e1af0ca605b6fc828f7cc [0,2,0,0,0,0|2,0,0]=4 1327 B12R1.15 CCC(C)NC(=O)c1ccsn1 3ca734f389f4e0f82d3104e50669d6cb [0,2,0,0,0,0|2,0,0]=4 1328 B12R1.15 CCC(C)NC(=O)c1cnco1 2a9f421702286e27497891511a5c74d9 [0,2,0,0,0,0|1,0,0]=3 1329 B12R1.15 CCC(C)NC(=O)c1cncs1 6bac8cd0c62ec87525a1569f3df87f77 [0,2,0,0,0,0|1,1,0]=4 1330 B12R1.15 CCC(C)NC(=O)c1cocn1 36bab8afb5f494115d36f529c69a3432 [0,2,0,0,0,0|2,0,0]=4 1331 B12R1.15 CCC(C)NC(=O)c1cscn1 19387067235d80064c3b0bf420c557a8 [0,2,0,0,0,0|2,0,0]=4 1332 B12R1.15 CCC(C)NC(=O)c1ncco1 c53bf53c0d4bd65d0fec4ac74500bc32 [0,2,0,0,0,0|1,0,0]=3 1333 B12R1.15 CCC(C)NC(=O)c1nccs1 86d4b256369f71446bfeffc57b2b3594 [0,2,0,0,0,0|1,1,0]=4 1334 B12R1.15 CCC(C)NC(=O)c1nnco1 756e21a7ed1e7ddf26c8173f4fc08c03 [0,2,0,0,0,0|2,0,0]=4 1335 B12R1.15 CCC(C)OC(C)c1ccco1 bc46d8fa8e7bd9309d8bcffd4ba74cc2 [0,2,0,0,0,0|1,0,1]=4 1336 B12R1.15 CCC(C)O[C@H](C)c1ccco1 46d85a570e95008000e90cd65e40bc2e [0,2,0,0,0,0|1,0,1]=4 1337 B12R1.15 CCN(C)CC(=O)c1ccco1 505744ad759f03e4af74801b751476bf [0,2,0,0,0,0|0,0,0]=2 1338 B12R1.15 CCN(C)CC(=O)c1cccs1 59fa2fceece6e869d9632d0cc65b7c6d [0,2,0,0,0,0|0,1,0]=3 1339 B12R1.15 CCN(C)CC(=O)c1ccsc1 b410b72ec10b30cef8a92cfd1946fcc1 [0,2,0,0,0,0|2,0,0]=4 1340 B12R1.15 CCN(C)CC(=O)c1cocn1 d5e823e8eee8fe36dabd617d0ebd300d [0,2,0,0,0,0|2,0,0]=4 1341 B12R1.15 CCN(C)CC(=O)c1ncco1 ed52c5b0c09b3eb8922812d4d6100499 [0,2,0,0,0,0|1,0,0]=3 1342 B12R1.15 CCN(C)CC(=O)c1nccs1 b7b7cfff69e48888b436f96f9a19692b [0,2,0,0,0,0|1,1,0]=4 1343 B12R1.15 CCN(C)CC(=O)n1cccn1 b71904d800753f4c7690a6b51b581bc6 [0,2,0,0,0,0|2,0,0]=4 1344 B12R1.15 CC[C@@H](C)NC(=O)c1ccco1 7cce0a31f715a783bbfc17be073e3d9e [0,2,0,0,0,0|0,0,0]=2 1345 B12R1.15 CC[C@@H](C)NC(=O)c1cccs1 b921176b2c0e80cc582387347d3922a0 [0,2,0,0,0,0|0,1,0]=3 1346 B12R1.15 CC[C@@H](C)NC(=O)c1ccno1 553db3b1e6051a7748e2a46770c5c2b1 [0,2,0,0,0,0|1,0,0]=3 1347 B12R1.15 CC[C@@H](C)NC(=O)c1ccns1 30b823c77acec950d17595c3e0094fe9 [0,2,0,0,0,0|1,1,0]=4 1348 B12R1.15 CC[C@@H](C)NC(=O)c1ccoc1 85bc3b4643426d0de799c6e61157f310 [0,2,0,0,0,0|2,0,0]=4 1349 B12R1.15 CC[C@@H](C)NC(=O)c1ccon1 1f170e7d52f220a570845cd71b7c3000 [0,2,0,0,0,0|2,0,0]=4 1350 B12R1.15 CC[C@@H](C)NC(=O)c1ccsc1 163ef41036da83deea420d69712a78a4 [0,2,0,0,0,0|2,0,0]=4 1351 B12R1.15 CC[C@@H](C)NC(=O)c1ccsn1 a5b702517ec342ae55e91914d9b20fff [0,2,0,0,0,0|2,0,0]=4 1352 B12R1.15 CC[C@@H](C)NC(=O)c1cnco1 01720dc5a43907271dac9bb4501771cf [0,2,0,0,0,0|1,0,0]=3 1353 B12R1.15 CC[C@@H](C)NC(=O)c1cncs1 a77a77262e269f06121b38f78fa4b7f3 [0,2,0,0,0,0|1,1,0]=4 1354 B12R1.15 CC[C@@H](C)NC(=O)c1cocn1 7a252a9d558b69568e61369bbe08ba6d [0,2,0,0,0,0|2,0,0]=4 1355 B12R1.15 CC[C@@H](C)NC(=O)c1cscn1 e3f874b95384ac1600c411ce86ff1c59 [0,2,0,0,0,0|2,0,0]=4 1356 B12R1.15 CC[C@@H](C)NC(=O)c1ncco1 d0220ae3a0bf70a4a5075d5799acd274 [0,2,0,0,0,0|1,0,0]=3 1357 B12R1.15 CC[C@@H](C)NC(=O)c1nccs1 b8ffb2285dd47b155e507ec411d6b94d [0,2,0,0,0,0|1,1,0]=4 1358 B12R1.15 CC[C@@H](C)NC(=O)c1nnco1 1dbf43839925fc7b997c67fb0d17908c [0,2,0,0,0,0|2,0,0]=4 1359 B12R1.15 CC[C@H](C)NC(=O)c1ccco1 d9059dc6c8f32d289f868af6109bc5c9 [0,2,0,0,0,0|0,0,0]=2 1360 B12R1.15 CC[C@H](C)NC(=O)c1cccs1 40ec2d6ba72a6bb80db91849f9e251de [0,2,0,0,0,0|0,1,0]=3 1361 B12R1.15 CC[C@H](C)NC(=O)c1ccno1 adbbee4ae5147655e52ffed9b91ce4d5 [0,2,0,0,0,0|1,0,0]=3 1362 B12R1.15 CC[C@H](C)NC(=O)c1ccns1 1ed1a1231c76b2b9b032b13ba2c5c8a2 [0,2,0,0,0,0|1,1,0]=4 1363 B12R1.15 CC[C@H](C)NC(=O)c1ccoc1 4fac3f4ff88c1597116328be432fd3be [0,2,0,0,0,0|2,0,0]=4 1364 B12R1.15 CC[C@H](C)NC(=O)c1ccon1 9799d2da0178aeda4f07c48725b4d7c9 [0,2,0,0,0,0|2,0,0]=4 1365 B12R1.15 CC[C@H](C)NC(=O)c1ccsc1 044c7507dbd8ccd1fc0c714c310efa83 [0,2,0,0,0,0|2,0,0]=4 1366 B12R1.15 CC[C@H](C)NC(=O)c1ccsn1 abd98a47f426b75f47b8a5080c5edefc [0,2,0,0,0,0|2,0,0]=4 1367 B12R1.15 CC[C@H](C)NC(=O)c1cnco1 92024235cfbeb4982c0d2c22bd595a2a [0,2,0,0,0,0|1,0,0]=3 1368 B12R1.15 CC[C@H](C)NC(=O)c1cncs1 58c3afd69cc849b969b88dad9c00a21a [0,2,0,0,0,0|1,1,0]=4 1369 B12R1.15 CC[C@H](C)NC(=O)c1cocn1 cd2a15af1f9b2e37c6895bd348ae8c92 [0,2,0,0,0,0|2,0,0]=4 1370 B12R1.15 CC[C@H](C)NC(=O)c1cscn1 269ca9dd7e36f01d75de44a8ead415c8 [0,2,0,0,0,0|2,0,0]=4 1371 B12R1.15 CC[C@H](C)NC(=O)c1ncco1 7b56b1fb6c2f1e18bc570a71e6a3cb7d [0,2,0,0,0,0|1,0,0]=3 1372 B12R1.15 CC[C@H](C)NC(=O)c1nccs1 5ce039d4ec78d7cca8595b92e96f46a6 [0,2,0,0,0,0|1,1,0]=4 1373 B12R1.15 CC[C@H](C)NC(=O)c1nnco1 32321d3338b4b1cbd48d8ffda231c2cb [0,2,0,0,0,0|2,0,0]=4 1374 B12R1.15 C[C@@H](CO)NC(=O)c1ccco1 e6b66bec19c7310b3d33eb9d8584c367 [0,2,0,0,0,0|1,0,0]=3 1375 B12R1.15 C[C@@H](CO)NC(=O)c1cccs1 0a5f20a6276603abc864232d3ff328ce [0,2,0,0,0,0|1,1,0]=4 1376 B12R1.15 C[C@@H](CO)NC(=O)c1ccno1 c028b959e980c9a70fe6843e97f4397b [0,2,0,0,0,0|2,0,0]=4 1377 B12R1.15 C[C@@H](CO)NC(=O)c1cnco1 fe6c7fc11463ba17103f8c34150a1fe8 [0,2,0,0,0,0|2,0,0]=4 1378 B12R1.15 C[C@@H](CO)NC(=O)c1ncco1 3a23d109a8a480536afbf36e34a77d32 [0,2,0,0,0,0|2,0,0]=4 1379 B12R1.15 C[C@H](CO)NC(=O)c1ccco1 4017f7669408328ed0b90687e2d43bf7 [0,2,0,0,0,0|1,0,0]=3 1380 B12R1.15 C[C@H](CO)NC(=O)c1cccs1 69e37dec3cd85e90ffab3c49ae369cfa [0,2,0,0,0,0|1,1,0]=4 1381 B12R1.15 C[C@H](CO)NC(=O)c1ccno1 e492129f26f49cf8c0b13dcace78ed6e [0,2,0,0,0,0|2,0,0]=4 1382 B12R1.15 C[C@H](CO)NC(=O)c1cnco1 21cd33ab1a1fc9dd9100779039907f4b [0,2,0,0,0,0|2,0,0]=4 1383 B12R1.15 C[C@H](CO)NC(=O)c1ncco1 8e0c481b1de0904c844de43e06d12a9b [0,2,0,0,0,0|2,0,0]=4 1384 B12R1.35 C#CCCNC(=O)c1ccco1 ffe27fddd7a8be1f040fab6d20586d86 [0,2,0,0,0,0|0,0,1]=3 1385 B12R1.35 C#CCCNC(=O)c1cccs1 508af79faaa6ad3ba6c30c8936051dbc [0,2,0,0,0,0|0,1,1]=4 1386 B12R1.35 C#CCCNC(=O)c1ccno1 806365b9e472e7956de6b14e0ea2909b [0,2,0,0,0,0|1,0,1]=4 1387 B12R1.35 C#CCCNC(=O)c1cnco1 137f37378f1cf02e91d7a8267ed0e47c [0,2,0,0,0,0|1,0,1]=4 1388 B12R1.35 C#CCCNC(=O)c1ncco1 7dae52582fb1d57cfc21a30a574560f4 [0,2,0,0,0,0|1,0,1]=4 1389 B12R1.35 C#CCNCC(=O)c1ccco1 930089fddb76d0efe492e1af24fd65a5 [0,2,0,0,0,0|0,0,1]=3 1390 B12R1.35 C#CCNCC(=O)c1cccs1 ef839fdc395cb0c5ef81763346abe3be [0,2,0,0,0,0|0,1,1]=4 1391 B12R1.35 C#CCNCC(=O)c1ncco1 014af6605a294a61d82777e47b24ae87 [0,2,0,0,0,0|1,0,1]=4 1392 B12R1.35 C#CCOCC(=O)c1ccco1 8f93bc89869bec7b2f297061541f48fc [0,2,0,0,0,0|0,0,1]=3 1393 B12R1.35 C#CCOCC(=O)c1cccs1 5e322c28160436f791ea76411657f110 [0,2,0,0,0,0|0,1,1]=4 1394 B12R1.35 C#CCOCC(=O)c1ncco1 fe28d8da674cf34faf3fbb6a7def51fb [0,2,0,0,0,0|1,0,1]=4 1395 B12R1.35 C=CCCNC(=O)c1ccco1 82c93730bd5cba16663ae4a43411a3cf [0,2,0,0,0,0|0,0,1]=3 1396 B12R1.35 C=CCCNC(=O)c1cccs1 7435dd7056b5bc35e71da8838791a448 [0,2,0,0,0,0|0,1,1]=4 1397 B12R1.35 C=CCCNC(=O)c1ccno1 76e01ec713269cf218459eb1646f3f95 [0,2,0,0,0,0|1,0,1]=4 1398 B12R1.35 C=CCCNC(=O)c1cnco1 66c3258e8bafab3946c792aeb2cf8225 [0,2,0,0,0,0|1,0,1]=4 1399 B12R1.35 C=CCCNC(=O)c1ncco1 55021bfec1874c3fb70545b342855379 [0,2,0,0,0,0|1,0,1]=4 1400 B12R1.35 C=CCOCC(=O)c1ccco1 05e80fa26905d5161fc61af2d3f7806e [0,2,0,0,0,0|0,0,1]=3 1401 B12R1.35 CC#CCNC(=O)c1ccco1 73fb4cbf33676028a47b5dbd71cc53db [0,2,0,0,0,0|0,0,1]=3 1402 B12R1.35 CC#CCNC(=O)c1cccs1 98474c99187a189c06961db9b57afe94 [0,2,0,0,0,0|0,1,1]=4 1403 B12R1.35 CC#CCNC(=O)c1ccno1 2897a9d78be98647bb87d224f3f6f581 [0,2,0,0,0,0|1,0,1]=4 1404 B12R1.35 CC#CCNC(=O)c1cnco1 0f002f12add9dd6e665a9c4ffb4fb41d [0,2,0,0,0,0|1,0,1]=4 1405 B12R1.35 CC#CCNC(=O)c1ncco1 b8feb064743af0a9a8a076587d34b4a8 [0,2,0,0,0,0|1,0,1]=4 1406 B12R1.35 CC(NCCCF)c1ccco1 4ddb4e472d105323be4dab690bf02540 [0,2,0,0,0,0|1,0,1]=4 1407 B12R1.35 CC(NCCCO)c1ccco1 cfecb952e7d95dba4fc7c4aab7fc2c74 [0,2,0,0,0,0|1,0,1]=4 1408 B12R1.35 CC(NCCCS)c1ccco1 f39c909b6e0edd62c06237ad1d87c56c [0,2,0,0,0,0|1,0,1]=4 1409 B12R1.35 CC(OCCCF)c1ccco1 6684b51580516c6771a7a21bcd0ef135 [0,2,0,0,0,0|1,0,1]=4 1410 B12R1.35 CC=CCNC(=O)c1ccco1 913767bbde344c40703f3011cc15b69e [0,2,0,0,0,0|0,0,1]=3 1411 B12R1.35 CC=CCNC(=O)c1cccs1 256ef922b6a74cf14c732f1e8cbc0c11 [0,2,0,0,0,0|0,1,1]=4 1412 B12R1.35 CC=CCNC(=O)c1ccno1 1d5fe360e6a6520450f552575a2c6fce [0,2,0,0,0,0|1,0,1]=4 1413 B12R1.35 CC=CCNC(=O)c1cnco1 da06017d25cdb07c1707e71cd9afc452 [0,2,0,0,0,0|1,0,1]=4 1414 B12R1.35 CC=CCNC(=O)c1ncco1 069596794feb59c2ebc76dbb25fac4d9 [0,2,0,0,0,0|1,0,1]=4 1415 B12R1.35 CCCCNC(=O)c1ccco1 65cf84a005a8f3d7f73aa434d4a30611 [0,2,0,0,0,0|0,0,0]=2 1416 B12R1.35 CCCCNC(=O)c1cccs1 c862d5aaaebdbe3c2c9bb74e709185b8 [0,2,0,0,0,0|0,1,0]=3 1417 B12R1.35 CCCCNC(=O)c1ccno1 4748a6b955d046f3d9e60b44a9d686c5 [0,2,0,0,0,0|1,0,0]=3 1418 B12R1.35 CCCCNC(=O)c1ccns1 01e64d9d28123d1993e62fc4ce2f0bab [0,2,0,0,0,0|1,1,0]=4 1419 B12R1.35 CCCCNC(=O)c1ccoc1 678355c6ba173140bb8d9524b846083a [0,2,0,0,0,0|2,0,0]=4 1420 B12R1.35 CCCCNC(=O)c1ccon1 4c2a595f60ab1ac2aab3ab5d659ce60b [0,2,0,0,0,0|2,0,0]=4 1421 B12R1.35 CCCCNC(=O)c1ccsc1 103c0bec82bdf228124e99a6c8f8b0e0 [0,2,0,0,0,0|2,0,0]=4 1422 B12R1.35 CCCCNC(=O)c1ccsn1 f1c38626e8231f411ccaeda7ca0551d4 [0,2,0,0,0,0|2,0,0]=4 1423 B12R1.35 CCCCNC(=O)c1cnco1 dd7d8ac51b69e38c27b1409fbe4da013 [0,2,0,0,0,0|1,0,0]=3 1424 B12R1.35 CCCCNC(=O)c1cncs1 b2789d1219d3620ddddf3bac84d5d60c [0,2,0,0,0,0|1,1,0]=4 1425 B12R1.35 CCCCNC(=O)c1cocn1 3bcb8d4f8994ef86ba9e4a5e169d6c7c [0,2,0,0,0,0|2,0,0]=4 1426 B12R1.35 CCCCNC(=O)c1cscn1 7957a39474abebc032da2c5b5790b704 [0,2,0,0,0,0|2,0,0]=4 1427 B12R1.35 CCCCNC(=O)c1ncco1 485f7ae0cec806006770a2853b53cfb1 [0,2,0,0,0,0|1,0,0]=3 1428 B12R1.35 CCCCNC(=O)c1nccs1 6021569b0303c5056da3294415ea56ff [0,2,0,0,0,0|1,1,0]=4 1429 B12R1.35 CCCCNC(=O)c1nnco1 6714f5b08221a551667cdaa9109469fa [0,2,0,0,0,0|2,0,0]=4 1430 B12R1.35 CCCCNC(C)c1ccco1 5fa17c0d8862cc5174ea0b902da1b422 [0,2,0,0,0,0|1,0,1]=4 1431 B12R1.35 CCCCN[C@H](C)c1ccco1 e72b348acd08587bf11f5b08b6438b09 [0,2,0,0,0,0|1,0,1]=4 1432 B12R1.35 CCCCOC(C)c1ccco1 fe8f0e28181437956db0721b05737b54 [0,2,0,0,0,0|1,0,1]=4 1433 B12R1.35 CCCCO[C@H](C)c1ccco1 c8f73cb3192dc92625d4a38db87a2194 [0,2,0,0,0,0|1,0,1]=4 1434 B12R1.35 CCCNCC(=O)c1ccc[nH]1 b45c80b5745ab22b13e155d1ca00670c [0,2,0,0,0,0|1,0,0]=3 1435 B12R1.35 CCCNCC(=O)c1ccco1 52e5a58dc04027848e4346689b25e2f7 [0,2,0,0,0,0|0,0,0]=2 1436 B12R1.35 CCCNCC(=O)c1cccs1 c1b3d4b90186ca5a56266465c790ba7d [0,2,0,0,0,0|0,1,0]=3 1437 B12R1.35 CCCNCC(=O)c1ccsc1 34d66d158018e103b0f3c59d5ed4baef [0,2,0,0,0,0|2,0,0]=4 1438 B12R1.35 CCCNCC(=O)c1cocn1 d7decb1a9402c6dc37a2af0867d72aff [0,2,0,0,0,0|2,0,0]=4 1439 B12R1.35 CCCNCC(=O)c1ncco1 224df0efc2aa02fa3b2050b7d10e9373 [0,2,0,0,0,0|1,0,0]=3 1440 B12R1.35 CCCNCC(=O)c1nccs1 9afaa5ef76bb7b07d99802233adbf2e1 [0,2,0,0,0,0|1,1,0]=4 1441 B12R1.35 CCCNCC(=O)n1cccn1 f41fdd9f0a9be1c2336a3643a2700f9c [0,2,0,0,0,0|2,0,0]=4 1442 B12R1.35 CCCNCC(O)c1ccco1 7366d63705288cdd55be06286e0b45ac [0,2,0,0,0,0|0,0,2]=4 1443 B12R1.35 CCCOCC(=O)c1ccco1 2663e8a78cc2c66d8f0bef1c516df59c [0,2,0,0,0,0|0,0,0]=2 1444 B12R1.35 CCCOCC(=O)c1cccs1 f6a57f7b2db711e8ca5e47686ecb3eb9 [0,2,0,0,0,0|0,1,0]=3 1445 B12R1.35 CCCOCC(=O)c1ccsc1 1f807ec8271a8bb247477f329c0b036f [0,2,0,0,0,0|2,0,0]=4 1446 B12R1.35 CCCOCC(=O)c1cocn1 d3269abc459e7c90323af54a86fba01a [0,2,0,0,0,0|2,0,0]=4 1447 B12R1.35 CCCOCC(=O)c1ncco1 6d042b1b2564793faa935375ec2312e1 [0,2,0,0,0,0|1,0,0]=3 1448 B12R1.35 CCCOCC(=O)c1nccs1 358c5f6fa062a7dc07cfcd5a6b4755aa [0,2,0,0,0,0|1,1,0]=4 1449 B12R1.35 CCCOCC(=O)n1cccn1 a29cbf96a38e8a6e15bb5c03425d7dd9 [0,2,0,0,0,0|2,0,0]=4 1450 B12R1.35 CCOCNC(C)c1ccco1 5205984ccf94a1288b55fac17657559e [0,2,0,0,0,0|1,0,1]=4 1451 B12R1.35 CCOCN[C@H](C)c1ccco1 e7fb9ced2cd9c811d07f6d66edf2d16a [0,2,0,0,0,0|1,0,1]=4 1452 B12R1.35 COCCNC(=O)c1ccco1 1ba4106ac1c62a9dd3104605c90677b1 [0,2,0,0,0,0|0,0,0]=2 1453 B12R1.35 COCCNC(=O)c1cccs1 7d76769a5daa0cc50ddead860daa247b [0,2,0,0,0,0|0,1,0]=3 1454 B12R1.35 COCCNC(=O)c1ccno1 9b228c17e1906b48a5a6e6a1d9d83189 [0,2,0,0,0,0|1,0,0]=3 1455 B12R1.35 COCCNC(=O)c1ccns1 6813dc1634faef32c63c16425ca02158 [0,2,0,0,0,0|1,1,0]=4 1456 B12R1.35 COCCNC(=O)c1ccoc1 d640ed17b178a9463f44f388b85ae154 [0,2,0,0,0,0|2,0,0]=4 1457 B12R1.35 COCCNC(=O)c1ccon1 1c8244b0a8969a092096769aae1c4288 [0,2,0,0,0,0|2,0,0]=4 1458 B12R1.35 COCCNC(=O)c1ccsc1 4d248b611c2540244ca33299a0b351e6 [0,2,0,0,0,0|2,0,0]=4 1459 B12R1.35 COCCNC(=O)c1ccsn1 557ac09ceaef601ea8d416c11d07cdb8 [0,2,0,0,0,0|2,0,0]=4 1460 B12R1.35 COCCNC(=O)c1cnco1 b1fd0b33298a5a065bf59df9afc95532 [0,2,0,0,0,0|1,0,0]=3 1461 B12R1.35 COCCNC(=O)c1cncs1 19b5df55ee41543518b6ea29733e055e [0,2,0,0,0,0|1,1,0]=4 1462 B12R1.35 COCCNC(=O)c1cocn1 bd51d3ce6a3225de9b29adb168e00bfe [0,2,0,0,0,0|2,0,0]=4 1463 B12R1.35 COCCNC(=O)c1cscn1 92e669395e9cf2d69cf1977a98064739 [0,2,0,0,0,0|2,0,0]=4 1464 B12R1.35 COCCNC(=O)c1ncco1 dc4a1125964f79b68157106265141be5 [0,2,0,0,0,0|1,0,0]=3 1465 B12R1.35 COCCNC(=O)c1nccs1 a800b52698081a3209bd7339cd6194c6 [0,2,0,0,0,0|1,1,0]=4 1466 B12R1.35 COCCNC(=O)c1nnco1 2464cbdc0f571f0286260b2e3c965913 [0,2,0,0,0,0|2,0,0]=4 1467 B12R1.35 COCCNC(C)c1ccco1 7000ea5d2b4446b5f6ba8ff7c5ebc35f [0,2,0,0,0,0|1,0,1]=4 1468 B12R1.35 COCCN[C@H](C)c1ccco1 672406f63ade7c702bd7f3066a9ba8c2 [0,2,0,0,0,0|1,0,1]=4 1469 B12R1.35 COCCOC(C)c1ccco1 75dbd55770d9e4f9ae51538b4aecb097 [0,2,0,0,0,0|1,0,1]=4 1470 B12R1.35 COCCO[C@H](C)c1ccco1 48b47ddbca8aa3fe9607d6d21b2af301 [0,2,0,0,0,0|1,0,1]=4 1471 B12R1.35 COCNCC(O)c1ccco1 42dd71073c9113d0d3255f385a07ee73 [0,2,0,0,0,0|0,0,2]=4 1472 B12R1.35 COCOCC(=O)c1ccco1 c04e6378f3be6545200ce78af75d26d7 [0,2,0,0,0,0|0,0,0]=2 1473 B12R1.35 COCOCC(=O)c1cccs1 794506d81521683c42c25c12db992171 [0,2,0,0,0,0|0,1,0]=3 1474 B12R1.35 COCOCC(=O)c1ccsc1 8b475e112600b330763d9653719aa519 [0,2,0,0,0,0|2,0,0]=4 1475 B12R1.35 COCOCC(=O)c1cocn1 91b9ce67398daaa6e7d32f6ef605da9f [0,2,0,0,0,0|2,0,0]=4 1476 B12R1.35 COCOCC(=O)c1ncco1 6a96492833e4b611b5abecb17cccb15d [0,2,0,0,0,0|1,0,0]=3 1477 B12R1.35 COCOCC(=O)c1nccs1 5b5c15ca0620a59f180a293dc5838d0e [0,2,0,0,0,0|1,1,0]=4 1478 B12R1.35 COCOCC(=O)n1cccn1 80a35c29c8e81c009f75826522ee0c1b [0,2,0,0,0,0|2,0,0]=4 1479 B12R1.35 CSCCNC(=O)c1ccco1 a69bf3067f8baad0adb058cde5fa2051 [0,2,0,0,0,0|0,0,0]=2 1480 B12R1.35 CSCCNC(=O)c1cccs1 d7c7c6461dc356a9e5958adf7742c549 [0,2,0,0,0,0|0,1,0]=3 1481 B12R1.35 CSCCNC(=O)c1ccno1 75bac86f9ca91b4719a6a8fb76ce69a9 [0,2,0,0,0,0|1,0,0]=3 1482 B12R1.35 CSCCNC(=O)c1ccns1 c03fef2138e68133bca5821c1334a96e [0,2,0,0,0,0|1,1,0]=4 1483 B12R1.35 CSCCNC(=O)c1ccoc1 d178d06442d56b0d8abdd301ddd7acf9 [0,2,0,0,0,0|2,0,0]=4 1484 B12R1.35 CSCCNC(=O)c1ccon1 f5b64fee12cdcd32ec58b8c12075eeac [0,2,0,0,0,0|2,0,0]=4 1485 B12R1.35 CSCCNC(=O)c1ccsc1 3ce00b344e24c301f76574a49aebcefa [0,2,0,0,0,0|2,0,0]=4 1486 B12R1.35 CSCCNC(=O)c1ccsn1 2980aef4608d3a3458e2c2b33f3c375c [0,2,0,0,0,0|2,0,0]=4 1487 B12R1.35 CSCCNC(=O)c1cnco1 475098bfcdbf908489b8c7eabc76e74e [0,2,0,0,0,0|1,0,0]=3 1488 B12R1.35 CSCCNC(=O)c1cncs1 4ccd61c81bd9e60d3de07f7e03b6e4dc [0,2,0,0,0,0|1,1,0]=4 1489 B12R1.35 CSCCNC(=O)c1cocn1 4b57b3fdca7099ccc1061d27e6a88b3f [0,2,0,0,0,0|2,0,0]=4 1490 B12R1.35 CSCCNC(=O)c1cscn1 70c15832f6ede9ae4025b671e390c4ca [0,2,0,0,0,0|2,0,0]=4 1491 B12R1.35 CSCCNC(=O)c1ncco1 36bf8d3418148391af454dbc12e9b29d [0,2,0,0,0,0|1,0,0]=3 1492 B12R1.35 CSCCNC(=O)c1nccs1 1ceb9d7e19d7de09a960dda4c0066e5d [0,2,0,0,0,0|1,1,0]=4 1493 B12R1.35 CSCCNC(=O)c1nnco1 aee118f6febb8b83e95a79af63df3467 [0,2,0,0,0,0|2,0,0]=4 1494 B12R1.35 CSCCNC(C)c1ccco1 4b5626a66c7fd216d2003e30ca72d214 [0,2,0,0,0,0|1,0,1]=4 1495 B12R1.35 CSCCN[C@H](C)c1ccco1 d844b7a7ab28ef410e5d80f1263fa14d [0,2,0,0,0,0|1,0,1]=4 1496 B12R1.35 CSCCOC(C)c1ccco1 94418dc2f0fdb95362691abf99918cc6 [0,2,0,0,0,0|1,0,1]=4 1497 B12R1.35 CSCCO[C@H](C)c1ccco1 c4513f119488c2d2c41a2da6e031c5e7 [0,2,0,0,0,0|1,0,1]=4 1498 B12R1.35 CSCNCC(O)c1ccco1 89d5590380d9d4b065787cafacf595e1 [0,2,0,0,0,0|0,0,2]=4 1499 B12R1.35 CSCOCC(=O)c1ccco1 2a4db24dce384e7277ba0d53a7bdd7b5 [0,2,0,0,0,0|0,0,0]=2 1500 B12R1.35 C[C@@H](NCCCF)c1ccco1 846fdade5e1ccb98c92a5c9a41bb0a5f [0,2,0,0,0,0|1,0,1]=4 1501 B12R1.35 C[C@@H](NCCCO)c1ccco1 436075ccd49060c0dd6ff88d14820f8d [0,2,0,0,0,0|1,0,1]=4 1502 B12R1.35 C[C@@H](NCCCS)c1ccco1 75a224985230f4d8428519202e72641e [0,2,0,0,0,0|1,0,1]=4 1503 B12R1.35 C[C@@H](OCCCF)c1ccco1 24cbb7e409d407fe9e5058b77b5c1dd8 [0,2,0,0,0,0|1,0,1]=4 1504 B12R1.35 N#CCCNC(=O)c1ccco1 aec4114149b0335e0e831f1ed96fec46 [0,2,0,0,0,0|0,0,1]=3 1505 B12R1.35 N#CCCNC(=O)c1cccs1 74ac4cf704cdebd734ae00c2815ef5cd [0,2,0,0,0,0|0,1,1]=4 1506 B12R1.35 N#CCCNC(=O)c1ccno1 5226a985f5a454b598e97ceb7fa0f070 [0,2,0,0,0,0|1,0,1]=4 1507 B12R1.35 N#CCCNC(=O)c1cnco1 86c64857b0592df41c44947d2ae944b0 [0,2,0,0,0,0|1,0,1]=4 1508 B12R1.35 N#CCCNC(=O)c1ncco1 4818bb2fbe8e0fbe055d9ead80880166 [0,2,0,0,0,0|1,0,1]=4 1509 B12R1.35 N#CCNCC(=O)c1ccco1 006b0b9e91c43e65148424c978f92edc [0,2,0,0,0,0|0,0,1]=3 1510 B12R1.35 N#CCNCC(=O)c1cccs1 0e02621b65b2c6c255a6cc08351ef0ef [0,2,0,0,0,0|0,1,1]=4 1511 B12R1.35 N#CCNCC(=O)c1ncco1 6f5433999eb2d425897f8e69c7110d43 [0,2,0,0,0,0|1,0,1]=4 1512 B12R1.35 N#CCOCC(=O)c1ccco1 bdc2e48469b83aacc61e96f742b2d101 [0,2,0,0,0,0|0,0,1]=3 1513 B12R1.35 N#CCOCC(=O)c1cccs1 71f36771bc1317fcefc06bcf14863002 [0,2,0,0,0,0|0,1,1]=4 1514 B12R1.35 N#CCOCC(=O)c1ncco1 6247f8fc8a8214ee96d8556474160f85 [0,2,0,0,0,0|1,0,1]=4 1515 B12R1.35 N#CNCCC(=O)c1cccs1 1396aa121dc3897cad3307f32e237b88 [0,2,0,0,0,0|0,1,1]=4 1516 B12R1.35 NOCCNC(=O)c1ccco1 ab907f56c1892c90588456a27807336c [0,2,0,0,0,0|1,0,0]=3 1517 B12R1.35 NOCCNC(=O)c1cccs1 2ffaffac95977b056c81866f4f751e88 [0,2,0,0,0,0|1,1,0]=4 1518 B12R1.35 NOCCNC(=O)c1ccno1 a70f273519065344ab7bedf7e9ce6b62 [0,2,0,0,0,0|2,0,0]=4 1519 B12R1.35 NOCCNC(=O)c1cnco1 046c26f9ea88a769dbb62a51907cf6b9 [0,2,0,0,0,0|2,0,0]=4 1520 B12R1.35 NOCCNC(=O)c1ncco1 ea4035ddf3ace5ab6bbdc4845907ab67 [0,2,0,0,0,0|2,0,0]=4 1521 B12R1.35 O=C(CNCCBr)c1ccc[nH]1 d1e94a08cb223d6bad0caad4a10537cc [0,2,0,0,0,0|1,0,0]=3 1522 B12R1.35 O=C(CNCCBr)c1ccco1 093fbd01ef262aff341ddffdf5ee04fe [0,2,0,0,0,0|0,0,0]=2 1523 B12R1.35 O=C(CNCCBr)c1cccs1 5a15e4ca3e408c72245327c408588d6b [0,2,0,0,0,0|0,1,0]=3 1524 B12R1.35 O=C(CNCCBr)c1ccsc1 9e11206225d80edd8b864edcd676c853 [0,2,0,0,0,0|2,0,0]=4 1525 B12R1.35 O=C(CNCCBr)c1cocn1 3f80d6b996f57c7e75a4e87151ef86de [0,2,0,0,0,0|2,0,0]=4 1526 B12R1.35 O=C(CNCCBr)c1ncco1 7039e7ec6f9d3e0af1d8be3d91f0341a [0,2,0,0,0,0|1,0,0]=3 1527 B12R1.35 O=C(CNCCBr)c1nccs1 a5d7b5c80d6c9c5a39042fa4bf5d4575 [0,2,0,0,0,0|1,1,0]=4 1528 B12R1.35 O=C(CNCCBr)n1cccn1 f41dc6b9ad7f6222712cb85340a751fc [0,2,0,0,0,0|2,0,0]=4 1529 B12R1.35 O=C(CNCCF)c1ccc[nH]1 c2dea22d138bd9401d1c47542ce2d8b6 [0,2,0,0,0,0|1,0,0]=3 1530 B12R1.35 O=C(CNCCF)c1ccco1 3212932b5d0c27f158e3a5df5d6ea998 [0,2,0,0,0,0|0,0,0]=2 1531 B12R1.35 O=C(CNCCF)c1cccs1 f8643ac39a51a7092610a184e7c361d6 [0,2,0,0,0,0|0,1,0]=3 1532 B12R1.35 O=C(CNCCF)c1ccsc1 402d17221344ea8c2f11c04b47308811 [0,2,0,0,0,0|2,0,0]=4 1533 B12R1.35 O=C(CNCCF)c1cocn1 c0e47ff797a3b63a123b3c033b78aa0b [0,2,0,0,0,0|2,0,0]=4 1534 B12R1.35 O=C(CNCCF)c1ncco1 d0cd5799d60ebe718bd55684f958abb1 [0,2,0,0,0,0|1,0,0]=3 1535 B12R1.35 O=C(CNCCF)c1nccs1 d5ae9fd1a615b795fd78f94bc559ed00 [0,2,0,0,0,0|1,1,0]=4 1536 B12R1.35 O=C(CNCCF)n1cccn1 534181fbea7e7032badb756eada5e0cc [0,2,0,0,0,0|2,0,0]=4 1537 B12R1.35 O=C(CNCCI)c1ccc[nH]1 81e8ede4179798471ee02518032ebfcf [0,2,0,0,0,0|1,0,0]=3 1538 B12R1.35 O=C(CNCCI)c1ccco1 afc2dde93b188d0a67ec2f1860018a9e [0,2,0,0,0,0|0,0,0]=2 1539 B12R1.35 O=C(CNCCI)c1cccs1 7d43785f1f10a2fda0097e2fcdbf6e6c [0,2,0,0,0,0|0,1,0]=3 1540 B12R1.35 O=C(CNCCI)c1ccsc1 8316b81f25a4f1af406702ce81ba8644 [0,2,0,0,0,0|2,0,0]=4 1541 B12R1.35 O=C(CNCCI)c1cocn1 bce18ff81e1dec2e6c60eaa1babf9fa3 [0,2,0,0,0,0|2,0,0]=4 1542 B12R1.35 O=C(CNCCI)c1ncco1 38e3759986893a00080059ed53110364 [0,2,0,0,0,0|1,0,0]=3 1543 B12R1.35 O=C(CNCCI)c1nccs1 f887cdd99dd5947cab63936ddb08818a [0,2,0,0,0,0|1,1,0]=4 1544 B12R1.35 O=C(CNCCI)n1cccn1 a5e60083fde9bdf838381a53af876f8b [0,2,0,0,0,0|2,0,0]=4 1545 B12R1.35 O=C(CNCCO)c1ccc[nH]1 5d125e581a65f71372151c1a719d8488 [0,2,0,0,0,0|1,0,0]=3 1546 B12R1.35 O=C(CNCCO)c1ccco1 d5383ff02d65f08eb3404f223c9c6d97 [0,2,0,0,0,0|0,0,0]=2 1547 B12R1.35 O=C(CNCCO)c1cccs1 d8934e8c14b1f044b19a79eccde62c24 [0,2,0,0,0,0|0,1,0]=3 1548 B12R1.35 O=C(CNCCO)c1ccsc1 94d21bab5340482528313652fa4d2686 [0,2,0,0,0,0|2,0,0]=4 1549 B12R1.35 O=C(CNCCO)c1cocn1 5529213df4e3b2bcbcb33514c5c75fc9 [0,2,0,0,0,0|2,0,0]=4 1550 B12R1.35 O=C(CNCCO)c1ncco1 9a2789a0010abbe1ddefcb50465aa883 [0,2,0,0,0,0|1,0,0]=3 1551 B12R1.35 O=C(CNCCO)c1nccs1 38b9ec777cea69567e4b571eed81f144 [0,2,0,0,0,0|1,1,0]=4 1552 B12R1.35 O=C(CNCCO)n1cccn1 a11077cb2c4fcbdb7e3a4305d607f936 [0,2,0,0,0,0|2,0,0]=4 1553 B12R1.35 O=C(CNCCS)c1ccc[nH]1 c0fb8915c2b30bf182263b9b828ec444 [0,2,0,0,0,0|1,0,0]=3 1554 B12R1.35 O=C(CNCCS)c1ccco1 e684c3dea7dd267caa054cbb9ca463ea [0,2,0,0,0,0|0,0,0]=2 1555 B12R1.35 O=C(CNCCS)c1cccs1 850fdd7037e2da77c9f877ba2cbdc7a9 [0,2,0,0,0,0|0,1,0]=3 1556 B12R1.35 O=C(CNCCS)c1ccsc1 5388a170e9b7990295713c1bce8b149c [0,2,0,0,0,0|2,0,0]=4 1557 B12R1.35 O=C(CNCCS)c1cocn1 6131ff2084c1487ce4dfc144a903e3bc [0,2,0,0,0,0|2,0,0]=4 1558 B12R1.35 O=C(CNCCS)c1ncco1 cbb46db144c9025a6282036f4d2a93c9 [0,2,0,0,0,0|1,0,0]=3 1559 B12R1.35 O=C(CNCCS)c1nccs1 aacb2e12bf18fe4f6c4342fa0a5145bd [0,2,0,0,0,0|1,1,0]=4 1560 B12R1.35 O=C(CNCCS)n1cccn1 eb4fdf42206222738f514e2f7caab5c8 [0,2,0,0,0,0|2,0,0]=4 1561 B12R1.35 O=C(COCCF)c1ccco1 d89e1194cc503dddcfcdc82294ac60b6 [0,2,0,0,0,0|0,0,0]=2 1562 B12R1.35 O=C(COCCF)c1cccs1 6f45c6e7c1324c6b36b387a33eaa608c [0,2,0,0,0,0|0,1,0]=3 1563 B12R1.35 O=C(COCCF)c1ccsc1 742748b3f7798d83dd4e67b8d0d98495 [0,2,0,0,0,0|2,0,0]=4 1564 B12R1.35 O=C(COCCF)c1cocn1 56e8982979a4fa73e99ec884882f524a [0,2,0,0,0,0|2,0,0]=4 1565 B12R1.35 O=C(COCCF)c1ncco1 f3537024858c2098a8f151256ebe083a [0,2,0,0,0,0|1,0,0]=3 1566 B12R1.35 O=C(COCCF)c1nccs1 2545492839a250b73f0d12817269354f [0,2,0,0,0,0|1,1,0]=4 1567 B12R1.35 O=C(COCCF)n1cccn1 bea7e3accd3f4fc34c26fee83f009b05 [0,2,0,0,0,0|2,0,0]=4 1568 B12R1.35 O=C(COCCS)c1ccco1 bd7ad890a33fecfd6981343493efb3ab [0,2,0,0,0,0|0,0,0]=2 1569 B12R1.35 O=C(COCCS)c1cccs1 0d6a4a041f6506ec8271b93853b31b90 [0,2,0,0,0,0|0,1,0]=3 1570 B12R1.35 O=C(COCCS)c1ccsc1 348609afb3d30dccd2c88270732dc58d [0,2,0,0,0,0|2,0,0]=4 1571 B12R1.35 O=C(COCCS)c1cocn1 9ac15b807f51c454275e82e3c97121e6 [0,2,0,0,0,0|2,0,0]=4 1572 B12R1.35 O=C(COCCS)c1ncco1 cab65fb6b499a46672575aebb7678b67 [0,2,0,0,0,0|1,0,0]=3 1573 B12R1.35 O=C(COCCS)c1nccs1 8f9bd40db69468cb65efd4f338e4fccd [0,2,0,0,0,0|1,1,0]=4 1574 B12R1.35 O=C(COCCS)n1cccn1 a0a8a473f02ed45930c3eb3aab4ef826 [0,2,0,0,0,0|2,0,0]=4 1575 B12R1.35 O=C(NCCCCl)c1ccco1 d3af86f857f33a7e2d41e591ef63af7c [0,2,0,0,0,0|0,0,0]=2 1576 B12R1.35 O=C(NCCCCl)c1cccs1 5a44972a3292e4b9eb8047d915c512fd [0,2,0,0,0,0|0,1,0]=3 1577 B12R1.35 O=C(NCCCCl)c1ccno1 cb2d5df48ca51e99ed62fb050419dfb9 [0,2,0,0,0,0|1,0,0]=3 1578 B12R1.35 O=C(NCCCCl)c1ccns1 ecd56a6c9e091b22efbca7bf778e72aa [0,2,0,0,0,0|1,1,0]=4 1579 B12R1.35 O=C(NCCCCl)c1ccoc1 63b832d2ae10702e16bb9f61092614c1 [0,2,0,0,0,0|2,0,0]=4 1580 B12R1.35 O=C(NCCCCl)c1ccon1 bc0e45002ba665576bcbda03e6d03fee [0,2,0,0,0,0|2,0,0]=4 1581 B12R1.35 O=C(NCCCCl)c1ccsc1 1a8c02b3bb9c9e7f9295d40b058f5041 [0,2,0,0,0,0|2,0,0]=4 1582 B12R1.35 O=C(NCCCCl)c1ccsn1 5ae3f5a8785d203d3027152263f72635 [0,2,0,0,0,0|2,0,0]=4 1583 B12R1.35 O=C(NCCCCl)c1cnco1 40f6ca4099a81875a0307b11b8fd781e [0,2,0,0,0,0|1,0,0]=3 1584 B12R1.35 O=C(NCCCCl)c1cncs1 8185757cb4670476b5a79156636456d0 [0,2,0,0,0,0|1,1,0]=4 1585 B12R1.35 O=C(NCCCCl)c1cocn1 fc86d104cab415c48fadecf518cfe27b [0,2,0,0,0,0|2,0,0]=4 1586 B12R1.35 O=C(NCCCCl)c1cscn1 4a384362abf2dc96b3c1c03305ae21ad [0,2,0,0,0,0|2,0,0]=4 1587 B12R1.35 O=C(NCCCCl)c1ncco1 93ea779643e96166d31c12ce49e330c3 [0,2,0,0,0,0|1,0,0]=3 1588 B12R1.35 O=C(NCCCCl)c1nccs1 e970814b0830933a019fba5035356e0c [0,2,0,0,0,0|1,1,0]=4 1589 B12R1.35 O=C(NCCCCl)c1nnco1 6316f19008a877a98720e2516cb812cb [0,2,0,0,0,0|2,0,0]=4 1590 B12R1.35 O=C(NCCCO)c1ccco1 3c05ef5378c282e6f10b4d56d3317666 [0,2,0,0,0,0|0,0,0]=2 1591 B12R1.35 O=C(NCCCO)c1cccs1 bf45c272e31b29fc7f8036f0cadbbfd1 [0,2,0,0,0,0|0,1,0]=3 1592 B12R1.35 O=C(NCCCO)c1ccno1 11dd641c80dbb784016620638857a31f [0,2,0,0,0,0|1,0,0]=3 1593 B12R1.35 O=C(NCCCO)c1ccns1 042b61cf0107158fb594afd34365701d [0,2,0,0,0,0|1,1,0]=4 1594 B12R1.35 O=C(NCCCO)c1ccoc1 193edfcdf86b0180115f817cb6b23aaf [0,2,0,0,0,0|2,0,0]=4 1595 B12R1.35 O=C(NCCCO)c1ccon1 a236f8944022d6880728763c293b1461 [0,2,0,0,0,0|2,0,0]=4 1596 B12R1.35 O=C(NCCCO)c1ccsc1 0dc4fe16e34c340a16e8580f40e798bb [0,2,0,0,0,0|2,0,0]=4 1597 B12R1.35 O=C(NCCCO)c1ccsn1 c0cd5ef5e1fa41ab6c564b69928608cf [0,2,0,0,0,0|2,0,0]=4 1598 B12R1.35 O=C(NCCCO)c1cnco1 35eca8ad6298d0c2fa2998827d0949c3 [0,2,0,0,0,0|1,0,0]=3 1599 B12R1.35 O=C(NCCCO)c1cncs1 c52cedffec8bfa4488efe3c243840156 [0,2,0,0,0,0|1,1,0]=4 1600 B12R1.35 O=C(NCCCO)c1cocn1 cd0a138b300c105e0127d0ac334440f8 [0,2,0,0,0,0|2,0,0]=4 1601 B12R1.35 O=C(NCCCO)c1cscn1 ac8e59b2b8129bb2f13a983463a133c7 [0,2,0,0,0,0|2,0,0]=4 1602 B12R1.35 O=C(NCCCO)c1ncco1 cbcc794b59930e46dbcd6f87197bcff7 [0,2,0,0,0,0|1,0,0]=3 1603 B12R1.35 O=C(NCCCO)c1nccs1 5f143565360308c61caaf97c452c68b0 [0,2,0,0,0,0|1,1,0]=4 1604 B12R1.35 O=C(NCCCO)c1nnco1 ba0a1d4960b268ca8ee33879ccdbe9c3 [0,2,0,0,0,0|2,0,0]=4 1605 B12R1.35 O=CCOCC(=O)c1ccco1 69321b1cdda39ce7f2c33b187955d20b [0,2,0,0,0,0|0,0,1]=3 1606 B12R1.35 OC(CNCCF)c1ccco1 7bdb4c173e9dcf40b242633ff1195604 [0,2,0,0,0,0|0,0,2]=4 1607 B12R1.35 OC(CNCCS)c1ccco1 68f0b5be7b21df61ce7995f02c88b011 [0,2,0,0,0,0|0,0,2]=4 1608 B12R1.35 OCCNCC(O)c1ccco1 d00a7ef2dd56d9269c2f5bd6d3ede4fb [0,2,0,0,0,0|0,0,2]=4 1609 B12R1.54 C=C(Br)CNC(=O)c1ccco1 cce07c146e882649625fdb23df6f8457 [0,2,0,0,0,0|0,0,2]=4 1610 B12R1.54 C=C(C)CNC(=O)c1ccco1 752f4ba6ec69df06823be272bf8de6cc [0,2,0,0,0,0|0,0,1]=3 1611 B12R1.54 C=C(C)CNC(=O)c1cccs1 2320e6e113e1bc31a109255aad33a6de [0,2,0,0,0,0|0,1,1]=4 1612 B12R1.54 C=C(C)CNC(=O)c1ccno1 3adf80e804e7373dd88d276f2d97ba9c [0,2,0,0,0,0|1,0,1]=4 1613 B12R1.54 C=C(C)CNC(=O)c1cnco1 690be135dd036870ec561586d43ee29a [0,2,0,0,0,0|1,0,1]=4 1614 B12R1.54 C=C(C)CNC(=O)c1ncco1 1ab49c2fc02e153551a1889147cb12c5 [0,2,0,0,0,0|1,0,1]=4 1615 B12R1.54 CC(=O)CNC(=O)c1ccco1 56654b89a8dfbd72cd379dbeb9d1b7b7 [0,2,0,0,0,0|0,0,1]=3 1616 B12R1.54 CC(=O)CNC(=O)c1cccs1 fe215c13eefaa2b3c150fade8c32cef7 [0,2,0,0,0,0|0,1,1]=4 1617 B12R1.54 CC(=O)CNC(=O)c1ccno1 1c79ea6cd80917f1f1bedea0f3721d92 [0,2,0,0,0,0|1,0,1]=4 1618 B12R1.54 CC(=O)CNC(=O)c1cnco1 1b135ac91161c17ce956cbe0b85c44f7 [0,2,0,0,0,0|1,0,1]=4 1619 B12R1.54 CC(=O)CNC(=O)c1ncco1 61dcf8f0a01e0a143701fa96502f453a [0,2,0,0,0,0|1,0,1]=4 1620 B12R1.54 CC(C)CNC(=O)c1ccco1 30af187b533e7dcd58f9654a3fbfb2e8 [0,2,0,0,0,0|0,0,0]=2 1621 B12R1.54 CC(C)CNC(=O)c1cccs1 d824d6664b7180afb486efdf0caa6926 [0,2,0,0,0,0|0,1,0]=3 1622 B12R1.54 CC(C)CNC(=O)c1ccno1 2c33878bfe5ddb51408756bd3fda599b [0,2,0,0,0,0|1,0,0]=3 1623 B12R1.54 CC(C)CNC(=O)c1ccns1 d9bc3575757ad8a15bfd4dc6dfd128ae [0,2,0,0,0,0|1,1,0]=4 1624 B12R1.54 CC(C)CNC(=O)c1ccoc1 7d12faefdc9f122fcd6bf0b4fab2cc88 [0,2,0,0,0,0|2,0,0]=4 1625 B12R1.54 CC(C)CNC(=O)c1ccon1 3a4c4e34f9c6346b78c131fb6a950a2f [0,2,0,0,0,0|2,0,0]=4 1626 B12R1.54 CC(C)CNC(=O)c1ccsc1 2c26d772fc6a56aa10cf44b13069baa6 [0,2,0,0,0,0|2,0,0]=4 1627 B12R1.54 CC(C)CNC(=O)c1ccsn1 15d8640606852556156507189a145b3a [0,2,0,0,0,0|2,0,0]=4 1628 B12R1.54 CC(C)CNC(=O)c1cnco1 9c42c082067405e1fa5458d447bfbff0 [0,2,0,0,0,0|1,0,0]=3 1629 B12R1.54 CC(C)CNC(=O)c1cncs1 b1e956de68953f334d97f660037329a0 [0,2,0,0,0,0|1,1,0]=4 1630 B12R1.54 CC(C)CNC(=O)c1cocn1 1f1c440e578e9b20339aeff2c3eb654c [0,2,0,0,0,0|2,0,0]=4 1631 B12R1.54 CC(C)CNC(=O)c1cscn1 e6c72260473fdfb81c93b2e9262a0ac8 [0,2,0,0,0,0|2,0,0]=4 1632 B12R1.54 CC(C)CNC(=O)c1ncco1 0aff257a1efc8a19247afa628d51386b [0,2,0,0,0,0|1,0,0]=3 1633 B12R1.54 CC(C)CNC(=O)c1nccs1 a80c387cb25e709a47e17f46ac9de9fb [0,2,0,0,0,0|1,1,0]=4 1634 B12R1.54 CC(C)CNC(=O)c1nnco1 82468be25a6ccb3345a51ada1e9955ec [0,2,0,0,0,0|2,0,0]=4 1635 B12R1.54 CC(C)CNC(C)c1ccco1 475db0a0836b2967c97da4609f8cef12 [0,2,0,0,0,0|1,0,1]=4 1636 B12R1.54 CC(C)CN[C@H](C)c1ccco1 53f5d652be06d8c035fa516801011663 [0,2,0,0,0,0|1,0,1]=4 1637 B12R1.54 CC(C)COC(C)c1ccco1 8ace6a60ef821ddf64e47ec5a5561609 [0,2,0,0,0,0|1,0,1]=4 1638 B12R1.54 CC(C)CO[C@H](C)c1ccco1 930ff0b3ee66e2fa08a5706751038aa8 [0,2,0,0,0,0|1,0,1]=4 1639 B12R1.54 CC(C)NCC(O)c1ccco1 49cb4ceb33e9067d3f8f92e972802f32 [0,2,0,0,0,0|0,0,2]=4 1640 B12R1.54 CC(C)OCC(=O)c1ccco1 155a55d88c82b5f16ab2135ef10deadb [0,2,0,0,0,0|0,0,0]=2 1641 B12R1.54 CC(C)OCC(=O)c1cccs1 22cb4ffc6a69bfbbdf24fe51b56bf0b4 [0,2,0,0,0,0|0,1,0]=3 1642 B12R1.54 CC(C)OCC(=O)c1ccsc1 9557277e028d139e937b839d7edafa6f [0,2,0,0,0,0|2,0,0]=4 1643 B12R1.54 CC(C)OCC(=O)c1cocn1 3ca62c03ba815fca292bd66f948547e4 [0,2,0,0,0,0|2,0,0]=4 1644 B12R1.54 CC(C)OCC(=O)c1ncco1 cd749e65345f298a720d3f4756ba10f6 [0,2,0,0,0,0|1,0,0]=3 1645 B12R1.54 CC(C)OCC(=O)c1nccs1 44bd0ab419a011521ff1fe20fdf88a8c [0,2,0,0,0,0|1,1,0]=4 1646 B12R1.54 CC(C)OCC(=O)n1cccn1 643487a1bee11171f1a9ce21ebf48721 [0,2,0,0,0,0|2,0,0]=4 1647 B12R1.54 CC(NC[C@H](C)O)c1ccco1 e495f95fdd8e68c698ec7a0d8c2185e6 [0,2,0,0,0,0|1,0,1]=4 1648 B12R1.54 CC(O)CNC(=O)c1ccco1 b7e4e5216645de54f94e7fb629df1a34 [0,2,0,0,0,0|0,0,0]=2 1649 B12R1.54 CC(O)CNC(=O)c1cccs1 cdfdcdf46f08693accb4106ce1e91018 [0,2,0,0,0,0|0,1,0]=3 1650 B12R1.54 CC(O)CNC(=O)c1ccno1 1ff3a464d6890f841e8ef60b61d0e806 [0,2,0,0,0,0|1,0,0]=3 1651 B12R1.54 CC(O)CNC(=O)c1ccns1 0d6e1f5714814abd4c2ca3ca525976a2 [0,2,0,0,0,0|1,1,0]=4 1652 B12R1.54 CC(O)CNC(=O)c1ccoc1 d3412e09eb41c08a73e1c289d29b2b07 [0,2,0,0,0,0|2,0,0]=4 1653 B12R1.54 CC(O)CNC(=O)c1ccon1 4094beeebdb5da92f3633cac229e4550 [0,2,0,0,0,0|2,0,0]=4 1654 B12R1.54 CC(O)CNC(=O)c1ccsc1 a2322ca7b3dd5b9eed547d21bf75a5aa [0,2,0,0,0,0|2,0,0]=4 1655 B12R1.54 CC(O)CNC(=O)c1ccsn1 540d1ba13ce30bc27a45de0a909d5f7b [0,2,0,0,0,0|2,0,0]=4 1656 B12R1.54 CC(O)CNC(=O)c1cnco1 c9128278f2ce67d827571e47ac6bb9c5 [0,2,0,0,0,0|1,0,0]=3 1657 B12R1.54 CC(O)CNC(=O)c1cncs1 066a75357057d698895fbf78ae420248 [0,2,0,0,0,0|1,1,0]=4 1658 B12R1.54 CC(O)CNC(=O)c1cocn1 e9fc9b8a8cf5dc396b93c69bec60b55f [0,2,0,0,0,0|2,0,0]=4 1659 B12R1.54 CC(O)CNC(=O)c1cscn1 245dde743acf1380fdcb05e2b9f306e1 [0,2,0,0,0,0|2,0,0]=4 1660 B12R1.54 CC(O)CNC(=O)c1ncco1 5f49082dda60b5d70fa62025ce3aedca [0,2,0,0,0,0|1,0,0]=3 1661 B12R1.54 CC(O)CNC(=O)c1nccs1 bcb20d99815657ca04fa92f34b5b95ec [0,2,0,0,0,0|1,1,0]=4 1662 B12R1.54 CC(O)CNC(=O)c1nnco1 0d47bd1be1fba35e5bded2b6cbb5fb72 [0,2,0,0,0,0|2,0,0]=4 1663 B12R1.54 CC(O)CNC(C)c1ccco1 d8b1a4441c91165d083a1525e17c5312 [0,2,0,0,0,0|1,0,1]=4 1664 B12R1.54 CC(O)CN[C@H](C)c1ccco1 02dba8e714dc1925212bc4631aa7ec3f [0,2,0,0,0,0|1,0,1]=4 1665 B12R1.54 C[C@@H](O)CNC(=O)c1ccco1 5926c2efa2547655c572071cb8d069c8 [0,2,0,0,0,0|0,0,0]=2 1666 B12R1.54 C[C@@H](O)CNC(=O)c1cccs1 b86c98bf9140f52b4849047d1da5b7d6 [0,2,0,0,0,0|0,1,0]=3 1667 B12R1.54 C[C@@H](O)CNC(=O)c1ccno1 ac7fae23aaecb18106daf48443aa9e09 [0,2,0,0,0,0|1,0,0]=3 1668 B12R1.54 C[C@@H](O)CNC(=O)c1ccns1 882e90314875826c0563cf2584ccb9d4 [0,2,0,0,0,0|1,1,0]=4 1669 B12R1.54 C[C@@H](O)CNC(=O)c1ccoc1 a19573d18df1e8eb3cd2e856af18689d [0,2,0,0,0,0|2,0,0]=4 1670 B12R1.54 C[C@@H](O)CNC(=O)c1ccon1 4585d640d638caaff91a2a0ca89d6ad2 [0,2,0,0,0,0|2,0,0]=4 1671 B12R1.54 C[C@@H](O)CNC(=O)c1ccsc1 70a613dbf0a5c5b45f2570c6d5d39100 [0,2,0,0,0,0|2,0,0]=4 1672 B12R1.54 C[C@@H](O)CNC(=O)c1ccsn1 c285f4f2bef97a816af7326d71ecdec1 [0,2,0,0,0,0|2,0,0]=4 1673 B12R1.54 C[C@@H](O)CNC(=O)c1cnco1 4d4ad91213b0d737aa0350d899295470 [0,2,0,0,0,0|1,0,0]=3 1674 B12R1.54 C[C@@H](O)CNC(=O)c1cncs1 725cc43ed2c1fdf2ffcb258047aed848 [0,2,0,0,0,0|1,1,0]=4 1675 B12R1.54 C[C@@H](O)CNC(=O)c1cocn1 b68bf6ba3f9a97b308be6c8b890b5355 [0,2,0,0,0,0|2,0,0]=4 1676 B12R1.54 C[C@@H](O)CNC(=O)c1cscn1 4d436afb19682a53df00cba03f5c6706 [0,2,0,0,0,0|2,0,0]=4 1677 B12R1.54 C[C@@H](O)CNC(=O)c1ncco1 e684fe7bbab3a665bbc0a7c937155755 [0,2,0,0,0,0|1,0,0]=3 1678 B12R1.54 C[C@@H](O)CNC(=O)c1nccs1 a44d7bc7113f46b56bae689db8d02733 [0,2,0,0,0,0|1,1,0]=4 1679 B12R1.54 C[C@@H](O)CNC(=O)c1nnco1 1998cad44a5da6b91a264d93b7f1ae16 [0,2,0,0,0,0|2,0,0]=4 1680 B12R1.54 C[C@H](O)CNC(=O)c1ccco1 f272a77f774565904d7bf39600f7f013 [0,2,0,0,0,0|0,0,0]=2 1681 B12R1.54 C[C@H](O)CNC(=O)c1cccs1 0eb61a8a58e9a53a93ac302bcf8b3be4 [0,2,0,0,0,0|0,1,0]=3 1682 B12R1.54 C[C@H](O)CNC(=O)c1ccno1 226efbfcbd85164783e44f160e48ae31 [0,2,0,0,0,0|1,0,0]=3 1683 B12R1.54 C[C@H](O)CNC(=O)c1ccns1 f53a803812205345c5f9fd136f542aa4 [0,2,0,0,0,0|1,1,0]=4 1684 B12R1.54 C[C@H](O)CNC(=O)c1ccoc1 ebd4526aaa87cb8b96ae69db499ce6c5 [0,2,0,0,0,0|2,0,0]=4 1685 B12R1.54 C[C@H](O)CNC(=O)c1ccon1 79eb7e69c22fbc7ea204c5ce10e9b572 [0,2,0,0,0,0|2,0,0]=4 1686 B12R1.54 C[C@H](O)CNC(=O)c1ccsc1 f0a5a192e6c4ad34b713f32cd6119463 [0,2,0,0,0,0|2,0,0]=4 1687 B12R1.54 C[C@H](O)CNC(=O)c1ccsn1 3ff18551d0079a2dd030ee3f10bd6ec8 [0,2,0,0,0,0|2,0,0]=4 1688 B12R1.54 C[C@H](O)CNC(=O)c1cnco1 94ce443470bdc27639a25f4ab7069a9a [0,2,0,0,0,0|1,0,0]=3 1689 B12R1.54 C[C@H](O)CNC(=O)c1cncs1 fc8dc9765d5bc33f1dbe45a07e96f19b [0,2,0,0,0,0|1,1,0]=4 1690 B12R1.54 C[C@H](O)CNC(=O)c1cocn1 2d6048c1513c26e3b1097f709cdd5581 [0,2,0,0,0,0|2,0,0]=4 1691 B12R1.54 C[C@H](O)CNC(=O)c1cscn1 02f809fcf4518e7934a72f5e8c4aafef [0,2,0,0,0,0|2,0,0]=4 1692 B12R1.54 C[C@H](O)CNC(=O)c1ncco1 d7137c963af89afc6fa7178229b90a6a [0,2,0,0,0,0|1,0,0]=3 1693 B12R1.54 C[C@H](O)CNC(=O)c1nccs1 13b1e63c0358878cda953e1faffdf1d4 [0,2,0,0,0,0|1,1,0]=4 1694 B12R1.54 C[C@H](O)CNC(=O)c1nnco1 24174ec631a7784f9ed1f93e2406179e [0,2,0,0,0,0|2,0,0]=4 1695 B12R1.54 C[C@H](O)CN[C@H](C)c1ccco1 57cd549502fd98a30ab44b495d95f490 [0,2,0,0,0,0|1,0,1]=4 1696 B12R1.54 NC(=O)CNC(=O)c1ccco1 4ef9b84faefe7b2b9eb9cf8ed8b1626f [0,2,0,0,0,0|1,0,1]=4 1697 B12R1.54 O=C(NCC(F)F)c1ccco1 1f3de6c272fac0080247cb24d2711ab6 [0,2,0,0,0,0|1,0,0]=3 1698 B12R1.54 O=C(NCC(F)F)c1cccs1 f9fc5c5198664fa6c59222d4a94eebc5 [0,2,0,0,0,0|1,1,0]=4 1699 B12R1.54 O=C(NCC(F)F)c1ccno1 dc4ec3dceb6c53a9134e07859a081319 [0,2,0,0,0,0|2,0,0]=4 1700 B12R1.54 O=C(NCC(F)F)c1cnco1 0807c7ac2a622a5b47a54498a2b4b7a8 [0,2,0,0,0,0|2,0,0]=4 1701 B12R1.54 O=C(NCC(F)F)c1ncco1 502430610be8f2be48437777d440762a [0,2,0,0,0,0|2,0,0]=4 1702 B12R1.460 C#CCNC(=O)c1occc1Br b6a16b1d42b194658a8e3f4f858da773 [0,2,0,0,0,0|0,0,2]=4 1703 B12R1.460 C#CCNC(=O)c1occc1C 29cd3f7002993a01cc54e71f044b38e0 [0,2,0,0,0,0|0,0,2]=4 1704 B12R1.460 CCCNC(=O)c1cccn1C 9c954318e3e59242c4f42914606fcef2 [0,2,0,0,0,0|1,0,0]=3 1705 B12R1.460 CCCNC(=O)c1ccnn1C 70f83fa81c69995d1a8c3a53e3b7dd84 [0,2,0,0,0,0|2,0,0]=4 1706 B12R1.460 CCCNC(=O)c1ccoc1Br 769b20484f446d9bf4931af5d4d317bf [0,2,0,0,0,0|2,0,0]=4 1707 B12R1.460 CCCNC(=O)c1ccoc1C cf1bb657ce49ff79bda17cf0d9116812 [0,2,0,0,0,0|2,0,0]=4 1708 B12R1.460 CCCNC(=O)c1ccoc1Cl 9fb0852e9750ecad82b08e77388531bb [0,2,0,0,0,0|2,0,0]=4 1709 B12R1.460 CCCNC(=O)c1ccoc1I 600248d1b217784e57da349f5f73f6c8 [0,2,0,0,0,0|2,0,0]=4 1710 B12R1.460 CCCNC(=O)c1ccsc1Br 143e2a20ec36d19308e1f4587e826e90 [0,2,0,0,0,0|2,0,0]=4 1711 B12R1.460 CCCNC(=O)c1ccsc1C f258c978450c56246c8c5790a7f11998 [0,2,0,0,0,0|2,0,0]=4 1712 B12R1.460 CCCNC(=O)c1ccsc1Cl 2185e458ad22c7b03d0d6dfc0d4a5e23 [0,2,0,0,0,0|2,0,0]=4 1713 B12R1.460 CCCNC(=O)c1ccsc1F f83d09cc1e1f96b0f1f153ac14406486 [0,2,0,0,0,0|2,0,0]=4 1714 B12R1.460 CCCNC(=O)c1ccsc1I c4b76dcf652ad8e0cc4a05aa701f2205 [0,2,0,0,0,0|2,0,0]=4 1715 B12R1.460 CCCNC(=O)c1cncn1C b777df8ad11f7117cd8284699e652562 [0,2,0,0,0,0|2,0,0]=4 1716 B12R1.460 CCCNC(=O)c1cocc1Br f56ae14522e4b9d3baf85db887b00b01 [0,2,0,0,0,0|2,0,0]=4 1717 B12R1.460 CCCNC(=O)c1cocc1C 620fc9455c3cb0c910b84304749c0596 [0,2,0,0,0,0|2,0,0]=4 1718 B12R1.460 CCCNC(=O)c1cscc1Br e2d907e46b4dd70284a20a29e8d7bf74 [0,2,0,0,0,0|2,0,0]=4 1719 B12R1.460 CCCNC(=O)c1cscc1C 8fb3ccd03f899e812d2c9ae90039d3a7 [0,2,0,0,0,0|2,0,0]=4 1720 B12R1.460 CCCNC(=O)c1cscc1Cl 7198edee01f687ac0f34cf7a9e5560c4 [0,2,0,0,0,0|2,0,0]=4 1721 B12R1.460 CCCNC(=O)c1nccn1C 29eb2f1e6180b6d30eaefec84f499705 [0,2,0,0,0,0|2,0,0]=4 1722 B12R1.460 CCCNC(=O)c1ncoc1C 9e1a6a139f6235ecea14a7c97e65ec80 [0,2,0,0,0,0|2,0,0]=4 1723 B12R1.460 CCCNC(=O)c1ncsc1Br 65bfdaf131f396d378cfc98d03aaa90c [0,2,0,0,0,0|2,0,0]=4 1724 B12R1.460 CCCNC(=O)c1ncsc1C c7a448efbdbbbde71c5b21d20414f125 [0,2,0,0,0,0|2,0,0]=4 1725 B12R1.460 CCCNC(=O)c1ncsc1Cl f83e0af201e195197bdcb1b341c37fdd [0,2,0,0,0,0|2,0,0]=4 1726 B12R1.460 CCCNC(=O)c1nocc1Br b0a5fa6d99985e5b77ec3aa6740290e5 [0,2,0,0,0,0|2,0,0]=4 1727 B12R1.460 CCCNC(=O)c1nocc1C 5879d10ba44c32a2e1240b3973f3c3a4 [0,2,0,0,0,0|2,0,0]=4 1728 B12R1.460 CCCNC(=O)c1nscc1Br 455677d8f2d920b71d5b4a34650fcc2a [0,2,0,0,0,0|2,0,0]=4 1729 B12R1.460 CCCNC(=O)c1occc1Br bce4e6556e709ba0b740c6d721003963 [0,2,0,0,0,0|0,0,0]=2 1730 B12R1.460 CCCNC(=O)c1occc1C 8655b4386e963c6732549e3866f7a024 [0,2,0,0,0,0|0,0,0]=2 1731 B12R1.460 CCCNC(=O)c1ocnc1Br 329fd685ab2eadf0d75bda9ca073913e [0,2,0,0,0,0|1,0,0]=3 1732 B12R1.460 CCCNC(=O)c1ocnc1C b43a2320ad805d3a23dc5242c23e8ca5 [0,2,0,0,0,0|1,0,0]=3 1733 B12R1.460 CCCNC(=O)c1oncc1C 3ad04527617d347a6fa613c24f559105 [0,2,0,0,0,0|1,0,0]=3 1734 B12R1.460 CCCNC(=O)c1sccc1Br cf657221d49f089b5c5eec690fa42cd6 [0,2,0,0,0,0|0,1,0]=3 1735 B12R1.460 CCCNC(=O)c1sccc1C e8e2df8e3586b1b4d5499ae614dfa049 [0,2,0,0,0,0|0,1,0]=3 1736 B12R1.460 CCCNC(=O)c1sccc1Cl ec4a3e8e3e492b4f59948bd6c51b59c4 [0,2,0,0,0,0|0,1,0]=3 1737 B12R1.460 CCCNC(=O)c1sccc1F 8c92c9451cf12ab00088f0b3200277a3 [0,2,0,0,0,0|0,1,0]=3 1738 B12R1.460 CCCNC(=O)c1sccc1I b5f2e26ce9a7f0b999904af04da30998 [0,2,0,0,0,0|0,1,0]=3 1739 B12R1.460 CCCNC(=O)c1sccc1O 572acb5c0f5432d0d34d0283e6a8b9c3 [0,2,0,0,0,0|0,1,0]=3 1740 B12R1.460 CCCNC(=O)c1sccc1S b4bae40aa44f9f0ae0c320b4735e14b5 [0,2,0,0,0,0|0,1,0]=3 1741 B12R1.460 CCCNC(=O)c1scnc1Br db602a0473c45a005dd22e5bd1ae73a6 [0,2,0,0,0,0|1,1,0]=4 1742 B12R1.460 CCCNC(=O)c1scnc1C 1e01ba1a812e3309008b7d2196bbdfb7 [0,2,0,0,0,0|1,1,0]=4 1743 B12R1.460 CCCNC(=O)c1scnc1Cl bdf22dd5f1451dd59707b57626ab0521 [0,2,0,0,0,0|1,1,0]=4 1744 B12R1.460 CCCNC(=O)c1sncc1Br d3e4e7032f6fafb828c7537839198992 [0,2,0,0,0,0|1,1,0]=4 1745 B12R1.460 CCCNC(=O)c1sncc1C 320a03cd4ab5654079ff60c8fa47b90b [0,2,0,0,0,0|1,1,0]=4 1746 B12R1.460 CCCNC(=O)c1sncc1Cl dbdf478a09b30ad08cbb980992b60925 [0,2,0,0,0,0|1,1,0]=4 1747 B12R1.460 Cc1ccoc1C(=O)NCC#N 61fb6b3deef54ec20365522c842dfb2a [0,2,0,0,0,0|1,0,1]=4 1748 B12R1.460 Cc1ccoc1C(=O)NCCBr af915ab36d3e8c70ca64646c94faeefb [0,2,0,0,0,0|1,0,0]=3 1749 B12R1.460 Cc1ccoc1C(=O)NCCF 31cc514554554152b78097d0c79c172f [0,2,0,0,0,0|1,0,0]=3 1750 B12R1.460 Cc1ccoc1C(=O)NCCI 74ccba22661c94fc4541f902c8d76422 [0,2,0,0,0,0|1,0,0]=3 1751 B12R1.460 Cc1ccoc1C(=O)NCCO 73a54702c90b6ad5372546d59ff58719 [0,2,0,0,0,0|1,0,0]=3 1752 B12R1.460 Cc1ccoc1C(=O)NCCS d032e6e3df514ba0c3174ad887cd1491 [0,2,0,0,0,0|1,0,0]=3 1753 B12R1.460 Cc1ccsc1C(=O)NCCF 8abc05d48f481929d00c795e8f43ab10 [0,2,0,0,0,0|1,1,0]=4 1754 B12R1.460 Cc1ccsc1C(=O)NCCI d81bec0cc81aeb4872768428209bb662 [0,2,0,0,0,0|1,1,0]=4 1755 B12R1.460 Cc1ccsc1C(=O)NCCO e7ff1af11f989ce50bb6d0ae013ae818 [0,2,0,0,0,0|1,1,0]=4 1756 B12R1.460 Cc1ccsc1C(=O)NCCS e5ce03c1fadc7e2c5c41d440465d0e54 [0,2,0,0,0,0|1,1,0]=4 1757 B12R1.460 Cc1cnoc1C(=O)NCCBr 412434e808cadbc6cb81f97dc71738d4 [0,2,0,0,0,0|2,0,0]=4 1758 B12R1.460 Cc1cnoc1C(=O)NCCF ef5fd15f34fe2fd0fa975f5d7cf7ba77 [0,2,0,0,0,0|2,0,0]=4 1759 B12R1.460 Cc1cnoc1C(=O)NCCI 752702db4a440a0087fd709152e6a89a [0,2,0,0,0,0|2,0,0]=4 1760 B12R1.460 Cc1cnoc1C(=O)NCCO 5b05513b9fbdb75b1a37d2d9fa09e5fa [0,2,0,0,0,0|2,0,0]=4 1761 B12R1.460 Cc1cnoc1C(=O)NCCS 97f1389044a6977df524525df59f673e [0,2,0,0,0,0|2,0,0]=4 1762 B12R1.460 Cc1ncoc1C(=O)NCCBr e394bd65fbf1a55618691af0092779e5 [0,2,0,0,0,0|2,0,0]=4 1763 B12R1.460 Cc1ncoc1C(=O)NCCF 63cbc9a8d8e8abf1e41cbda52ff23c0f [0,2,0,0,0,0|2,0,0]=4 1764 B12R1.460 Cc1ncoc1C(=O)NCCI 0a760e0da23ef396d6a5cc1dbdcbda54 [0,2,0,0,0,0|2,0,0]=4 1765 B12R1.460 Cc1ncoc1C(=O)NCCO 81698fa07aa47c16581b36ca1009bd46 [0,2,0,0,0,0|2,0,0]=4 1766 B12R1.460 Cc1ncoc1C(=O)NCCS 5506b45a38df21ef50d762df4ef01219 [0,2,0,0,0,0|2,0,0]=4 1767 B12R1.460 Cn1cccc1C(=O)NCCBr 69ee908e1a3114dfcc4cbdb5f94664fe [0,2,0,0,0,0|2,0,0]=4 1768 B12R1.460 Cn1cccc1C(=O)NCCF 090f92506cc228086085cd3adac38ddc [0,2,0,0,0,0|2,0,0]=4 1769 B12R1.460 Cn1cccc1C(=O)NCCI ec24455d3c77ae38159aa770b9fabedf [0,2,0,0,0,0|2,0,0]=4 1770 B12R1.460 Cn1cccc1C(=O)NCCO d36cd40516325983f40001cbcb5c6961 [0,2,0,0,0,0|2,0,0]=4 1771 B12R1.460 Cn1cccc1C(=O)NCCS 647e687979df095037a752be0998a0f7 [0,2,0,0,0,0|2,0,0]=4 1772 B12R1.460 N#CCNC(=O)c1occc1Br 0178b2450ec09bdbd15cc35bebf2ac52 [0,2,0,0,0,0|1,0,1]=4 1773 B12R1.460 O=C(NCCBr)c1occc1Br 5b370fe6d6ed01a1d4788979d884caa9 [0,2,0,0,0,0|1,0,0]=3 1774 B12R1.460 O=C(NCCBr)c1ocnc1Br d7af7d8c1909a33f3728cb05cfe15420 [0,2,0,0,0,0|2,0,0]=4 1775 B12R1.460 O=C(NCCBr)c1sccc1Br f71c6ac5a4957798d1ffc9caaeab6580 [0,2,0,0,0,0|1,1,0]=4 1776 B12R1.460 O=C(NCCBr)c1sccc1F 19466df546fac7ab7615f8c715b6558a [0,2,0,0,0,0|1,1,0]=4 1777 B12R1.460 O=C(NCCBr)c1sccc1I a16c7a15a1413b39f0b5ad54f67f4968 [0,2,0,0,0,0|1,1,0]=4 1778 B12R1.460 O=C(NCCBr)c1sccc1O a74232d1a14a716af736542220ef7bae [0,2,0,0,0,0|1,1,0]=4 1779 B12R1.460 O=C(NCCBr)c1sccc1S 04c000e869acf641982b240846ad6c6f [0,2,0,0,0,0|1,1,0]=4 1780 B12R1.460 O=C(NCCF)c1occc1Br a3493f86cc3a6bb82ffba2315e4ea5a1 [0,2,0,0,0,0|1,0,0]=3 1781 B12R1.460 O=C(NCCF)c1ocnc1Br 346477970712f7638c5615a87618623b [0,2,0,0,0,0|2,0,0]=4 1782 B12R1.460 O=C(NCCF)c1sccc1Br 8fac5190ed09f95f0767ca03508f97c2 [0,2,0,0,0,0|1,1,0]=4 1783 B12R1.460 O=C(NCCF)c1sccc1Cl 82965c80a19b28427a250dac9bbc36e9 [0,2,0,0,0,0|1,1,0]=4 1784 B12R1.460 O=C(NCCF)c1sccc1F 1ee82da6adc78c75330cafd4ba21b0d1 [0,2,0,0,0,0|1,1,0]=4 1785 B12R1.460 O=C(NCCF)c1sccc1I 3c960cd0d085fee076c24a3e3a590ca0 [0,2,0,0,0,0|1,1,0]=4 1786 B12R1.460 O=C(NCCF)c1sccc1O 8e507dedd92313d4c13accf39ca6fafb [0,2,0,0,0,0|1,1,0]=4 1787 B12R1.460 O=C(NCCF)c1sccc1S 2672e15d5c3b010d24021048aef9c315 [0,2,0,0,0,0|1,1,0]=4 1788 B12R1.460 O=C(NCCI)c1occc1Br 61ad25444ff774ece8d1aac1b77d3070 [0,2,0,0,0,0|1,0,0]=3 1789 B12R1.460 O=C(NCCI)c1ocnc1Br e3dfcf6363307bff4eda1d7fbda3fbb3 [0,2,0,0,0,0|2,0,0]=4 1790 B12R1.460 O=C(NCCI)c1sccc1Br 3dbefd083aa6da8f46f421715c5d964f [0,2,0,0,0,0|1,1,0]=4 1791 B12R1.460 O=C(NCCI)c1sccc1Cl 9a0ae5f692c160b9cc776a6fe75f4d5c [0,2,0,0,0,0|1,1,0]=4 1792 B12R1.460 O=C(NCCI)c1sccc1F 952ea8f1710e9ed6a4a096eb5d99a124 [0,2,0,0,0,0|1,1,0]=4 1793 B12R1.460 O=C(NCCI)c1sccc1I adec028381b38560b073895b3b1155bd [0,2,0,0,0,0|1,1,0]=4 1794 B12R1.460 O=C(NCCI)c1sccc1O a71848ba700392f8efaa58be6beef3ed [0,2,0,0,0,0|1,1,0]=4 1795 B12R1.460 O=C(NCCI)c1sccc1S 580d7a77d9bd2cd013237c3c2ffe6471 [0,2,0,0,0,0|1,1,0]=4 1796 B12R1.460 O=C(NCCO)c1occc1Br fa2cac3a1929608cd1ec8394e7e3e0a1 [0,2,0,0,0,0|1,0,0]=3 1797 B12R1.460 O=C(NCCO)c1ocnc1Br ad33d3c9c390fa93d010191516613e08 [0,2,0,0,0,0|2,0,0]=4 1798 B12R1.460 O=C(NCCO)c1sccc1Br e58a49c6919d3b720e1a1e834c1dc932 [0,2,0,0,0,0|1,1,0]=4 1799 B12R1.460 O=C(NCCO)c1sccc1Cl 8ecb79ea87502c34a79223a58e2f050e [0,2,0,0,0,0|1,1,0]=4 1800 B12R1.460 O=C(NCCO)c1sccc1F fe820edb736be700c88f955d2ad22ab1 [0,2,0,0,0,0|1,1,0]=4 1801 B12R1.460 O=C(NCCO)c1sccc1I 5a7d08b32f130d5625b9f83fc73b0452 [0,2,0,0,0,0|1,1,0]=4 1802 B12R1.460 O=C(NCCO)c1sccc1O 3c3282e92918a212b0ec5f2afba10e3c [0,2,0,0,0,0|1,1,0]=4 1803 B12R1.460 O=C(NCCO)c1sccc1S 51fbf569d42cedbca8704a2f82a0e727 [0,2,0,0,0,0|1,1,0]=4 1804 B12R1.460 O=C(NCCS)c1occc1Br cf5e7b681c88770bf94702eb20e7fba0 [0,2,0,0,0,0|1,0,0]=3 1805 B12R1.460 O=C(NCCS)c1ocnc1Br 4a6b31f8a61383a2ff3cfa8614a1c966 [0,2,0,0,0,0|2,0,0]=4 1806 B12R1.460 O=C(NCCS)c1sccc1Br 2492a708365f37efd6d76b3cc7adeade [0,2,0,0,0,0|1,1,0]=4 1807 B12R1.460 O=C(NCCS)c1sccc1Cl cb72b3e4d58a694123a7ee083983dfe7 [0,2,0,0,0,0|1,1,0]=4 1808 B12R1.460 O=C(NCCS)c1sccc1F 7da92f527b7835deb1301e5e17cc2e3b [0,2,0,0,0,0|1,1,0]=4 1809 B12R1.460 O=C(NCCS)c1sccc1I 045e4c2c0f598a7cfe5d3df77558f4b1 [0,2,0,0,0,0|1,1,0]=4 1810 B12R1.460 O=C(NCCS)c1sccc1O 5e423b8c5ad4cdedd8dafdfb0196ae2f [0,2,0,0,0,0|1,1,0]=4 1811 B12R1.460 O=C(NCCS)c1sccc1S 1eab3530460ac068267a312140076a7d [0,2,0,0,0,0|1,1,0]=4 1812 B12R1.120 CC(C)N(C)C(=O)c1ccco1 166c7398253de6f6adc88896bebe3df4 [0,2,0,0,0,0|1,0,0]=3 1813 B12R1.120 CC(C)N(C)C(=O)c1cccs1 16025b903b3e5a82bf006abd74116bbb [0,2,0,0,0,0|1,1,0]=4 1814 B12R1.120 CC(C)N(C)C(=O)c1ccno1 d07f5c30f82612d554c5ea55d136730b [0,2,0,0,0,0|2,0,0]=4 1815 B12R1.120 CC(C)N(C)C(=O)c1cnco1 62bbb46308be64d048106e4e594f838a [0,2,0,0,0,0|2,0,0]=4 1816 B12R1.120 CC(C)N(C)C(=O)c1ncco1 30a8e9ec3919afd0db8820ac95d97c07 [0,2,0,0,0,0|2,0,0]=4 1817 B12R1.468 CCN(C)C(=O)c1cccn1C 02518eff226f94069c2761c7394245fc [0,2,0,0,0,0|2,0,0]=4 1818 B12R1.468 CCN(C)C(=O)c1occc1Br 13927ccc7e81ff59ccaf899c4e44a108 [0,2,0,0,0,0|1,0,0]=3 1819 B12R1.468 CCN(C)C(=O)c1occc1C ecf9e67d69b53edcf965b840f44b52e1 [0,2,0,0,0,0|1,0,0]=3 1820 B12R1.468 CCN(C)C(=O)c1ocnc1Br e42e16c2b01e8e6e232e41961f7cdc81 [0,2,0,0,0,0|2,0,0]=4 1821 B12R1.468 CCN(C)C(=O)c1ocnc1C 110527ad69b33095fe0141c1dfe26747 [0,2,0,0,0,0|2,0,0]=4 1822 B12R1.468 CCN(C)C(=O)c1oncc1C 0597cb980d5efb124d1f53f6836d25c8 [0,2,0,0,0,0|2,0,0]=4 1823 B12R1.468 CCN(C)C(=O)c1sccc1Br 8e83e0f41ca0e7d379c0eaf0c58fa74d [0,2,0,0,0,0|1,1,0]=4 1824 B12R1.468 CCN(C)C(=O)c1sccc1C 60227f9f7993d2d52fc53357642bd1ba [0,2,0,0,0,0|1,1,0]=4 1825 B12R1.468 CCN(C)C(=O)c1sccc1Cl 138b6c86832406fde0394c9582e14974 [0,2,0,0,0,0|1,1,0]=4 1826 B12R1.468 CCN(C)C(=O)c1sccc1F 1d4c9dd52cc9931740a63d51f79b2985 [0,2,0,0,0,0|1,1,0]=4 1827 B12R1.468 CCN(C)C(=O)c1sccc1I 29dfb0017e5185c495211e1eb1897c79 [0,2,0,0,0,0|1,1,0]=4 1828 B12R1.468 CCN(C)C(=O)c1sccc1O d8956b3cde1d71d695680efa8ac95c34 [0,2,0,0,0,0|1,1,0]=4 1829 B12R1.468 CCN(C)C(=O)c1sccc1S 2d92d196ccacec76ddefede8b6037677 [0,2,0,0,0,0|1,1,0]=4 1830 B12R1.265 CC(C)(C)NC(=O)c1ccco1 f2cdedf9e74652b03262a09a34d90932 [0,2,0,0,0,0|1,0,0]=3 1831 B12R1.265 CC(C)(C)NC(=O)c1cccs1 ca0b02a87b4260fa021aa2b39d31a41e [0,2,0,0,0,0|1,1,0]=4 1832 B12R1.265 CC(C)(C)NC(=O)c1ccno1 931c425c492535e71e9d0a5743ed85d1 [0,2,0,0,0,0|2,0,0]=4 1833 B12R1.265 CC(C)(C)NC(=O)c1cnco1 e50c5f5d5bed6c17d186fbc9555047ab [0,2,0,0,0,0|2,0,0]=4 1834 B12R1.265 CC(C)(C)NC(=O)c1ncco1 1065b2c20147fe2e545f7aa21e6d09b2 [0,2,0,0,0,0|2,0,0]=4 1835 B10R1.186 C=CCOCC(=O)C1CC1 d26dbc06f09a87cf107823b6862bf300 [0,0,1,1,0,0|0,0,2]=4 1836 B10R2.193 c1coc(c1)OC2CC2 8985027cbca38de40f7977ffc4fa9731 [1,0,0,1,0,0|1,0,0]=3 1837 B10R2.193 c1coc(n1)NC2CC2 3ac008138901a81cc9d1e786fff3438e [1,0,0,1,0,0|2,0,0]=4 1838 B12R2.98 c1coc(c1)OC2CCCC2 be7161a100e5dcffc6a2df0c717e5c1a [0,0,0,1,0,1|1,0,1]=4 1839 B12R2.1423 CC(Oc1ccco1)C2CC2 092e6ee6ec273e331ff9e37d8d5fb31d [0,0,0,1,0,1|1,0,1]=4 1840 B12R2.1423 C[C@@H](Nc1ccco1)C2CC2 ccc555b52a0f4b676cf7f64f55609fac [0,0,0,1,0,1|1,0,1]=4 1841 B12R2.1423 C[C@H](Nc1ccco1)C2CC2 4723060b3bc7501cdb49b696eb8240fe [0,0,0,1,0,1|1,0,1]=4 1842 B12R2.2299 Cc1ccc(o1)N(C)C2CC2 a30a13d4734b5ee8007433a4ca898479 [0,1,0,1,0,0|2,0,0]=4 1843 B12R2.2074 O=C(NC1CC1)c2ccco2 b9a16304db843f7b4241c371a07368e1 [0,1,0,1,0,0|0,0,0]=2 1844 B12R2.2074 O=C(NC1CC1)c2cccs2 851b60f368e8aa42eee5732ae0ba81e4 [0,1,0,1,0,0|0,1,0]=3 1845 B12R2.2074 O=C(NC1CC1)c2ccno2 ee3dfd655008ad0e9f9d3524244399ed [0,1,0,1,0,0|1,0,0]=3 1846 B12R2.2074 O=C(NC1CC1)c2ccns2 3af48eec0bf4f1e8f747511901dce127 [0,1,0,1,0,0|1,1,0]=4 1847 B12R2.2074 O=C(NC1CC1)c2ccoc2 8e330470b8646d2d091a694e89efb1bd [0,1,0,1,0,0|2,0,0]=4 1848 B12R2.2074 O=C(NC1CC1)c2ccon2 e8e40b71783352f56679411bf186fa5f [0,1,0,1,0,0|2,0,0]=4 1849 B12R2.2074 O=C(NC1CC1)c2ccsc2 dde774f8cdbd28b7bdcccbfc83a0684b [0,1,0,1,0,0|2,0,0]=4 1850 B12R2.2074 O=C(NC1CC1)c2ccsn2 12e2ce1ec6fe7608f2b4845b6b836f07 [0,1,0,1,0,0|2,0,0]=4 1851 B12R2.2074 O=C(NC1CC1)c2cnco2 5ee061a27638d524b315e958a5eba0fa [0,1,0,1,0,0|1,0,0]=3 1852 B12R2.2074 O=C(NC1CC1)c2cncs2 dcc748697599b6791fbe985e99091270 [0,1,0,1,0,0|1,1,0]=4 1853 B12R2.2074 O=C(NC1CC1)c2cocn2 591f8ec5a98c7ffb82cc06f2ce3f9e2e [0,1,0,1,0,0|2,0,0]=4 1854 B12R2.2074 O=C(NC1CC1)c2cscn2 d027dd40cdbdccbf6eb79359b6821e9e [0,1,0,1,0,0|2,0,0]=4 1855 B12R2.2074 O=C(NC1CC1)c2ncco2 c0d5597eea0e8a27d74e097f9152f58c [0,1,0,1,0,0|1,0,0]=3 1856 B12R2.2074 O=C(NC1CC1)c2nccs2 93d48a32845f7a3b9a9b38e969c136e6 [0,1,0,1,0,0|1,1,0]=4 1857 B12R2.3797 O=C(c1ccco1)N2CCC2 64a775b4b8f0f6aa65c2e79281dc2c3e [0,1,0,1,0,0|0,0,0]=2 1858 B12R2.3797 O=C(c1cccs1)N2CCC2 13568d4355b6418b3bf53401259db150 [0,1,0,1,0,0|0,1,0]=3 1859 B12R2.3797 O=C(c1ccno1)N2CCC2 0c9e7678fe668d331daf43c334c89b96 [0,1,0,1,0,0|1,0,0]=3 1860 B12R2.3797 O=C(c1ccns1)N2CCC2 482246755ed74e332b3ff2314fc58b88 [0,1,0,1,0,0|1,1,0]=4 1861 B12R2.3797 O=C(c1ccoc1)N2CCC2 64366478d4ed489b61ceafb90fe25000 [0,1,0,1,0,0|2,0,0]=4 1862 B12R2.3797 O=C(c1ccon1)N2CCC2 fbc46416d8b742113d03036bd68b4171 [0,1,0,1,0,0|2,0,0]=4 1863 B12R2.3797 O=C(c1ccsc1)N2CCC2 54e86b7c2191a1ad36930b55d6e768d6 [0,1,0,1,0,0|2,0,0]=4 1864 B12R2.3797 O=C(c1ccsn1)N2CCC2 5623409975a13354ead9a5ffcfcef47b [0,1,0,1,0,0|2,0,0]=4 1865 B12R2.3797 O=C(c1cnco1)N2CCC2 a5cb223ee23620f333081ef24c41dc32 [0,1,0,1,0,0|1,0,0]=3 1866 B12R2.3797 O=C(c1cncs1)N2CCC2 22090e6ef84d916dffde5c9c0e8a1aea [0,1,0,1,0,0|1,1,0]=4 1867 B12R2.3797 O=C(c1cocn1)N2CCC2 2b2b4e157abd04827356922ce816459d [0,1,0,1,0,0|2,0,0]=4 1868 B12R2.3797 O=C(c1cscn1)N2CCC2 467048e986476fb1e3b929fe3eb5cf83 [0,1,0,1,0,0|2,0,0]=4 1869 B12R2.3797 O=C(c1ncco1)N2CCC2 bb55f1378a9cccb819eaee0c3d4e47c1 [0,1,0,1,0,0|1,0,0]=3 1870 B12R2.3797 O=C(c1nccs1)N2CCC2 b0bc8f78a327e5578f046daa0a0f0767 [0,1,0,1,0,0|1,1,0]=4 1871 B12R2.3797 O=C(c1nnco1)N2CCC2 697ab8f91eb223df7bcc07fe5fdb2b45 [0,1,0,1,0,0|2,0,0]=4 1872 B10R1.17 CCCNc1ccccc1 b539dcf8361adb43cc5ffbb8617222f9 [1,0,0,0,0,1|2,0,0]=4 1873 B10R1.17 CCCNc1ccccn1 d0e3424364e1c8a55b80e6e83d3696ba [1,0,0,0,0,1|2,0,0]=4 1874 B10R1.17 CCCNc1cccnc1 54f0ece250e78709faf1eb2fd4dc869b [1,0,0,0,0,1|2,0,0]=4 1875 B10R1.17 CCCNc1cccnn1 563334c6dadea743653cde03719d759b [1,0,0,0,0,1|2,0,0]=4 1876 B10R1.17 CCCNc1ccncc1 d6095b2a5c05617a6cec49b81fb053c5 [1,0,0,0,0,1|2,0,0]=4 1877 B10R1.17 CCCNc1ccncn1 b9fcfeaf51b4e3f06d605d771d307526 [1,0,0,0,0,1|2,0,0]=4 1878 B10R1.17 CCCNc1cnccn1 21846cbecedbe2640cf1187c9cb12883 [1,0,0,0,0,1|2,0,0]=4 1879 B10R1.17 CCCNc1ncccn1 75419027ddb25105c51dd1506820ccba [1,0,0,0,0,1|2,0,0]=4 1880 B10R1.17 CCCOc1ccccn1 6e04423b9fd777130a88eaa9fd38fe0c [1,0,0,0,0,1|2,0,0]=4 1881 B10R1.17 CCCOc1cccnc1 a97f517fc793a805aaab3ac7468bbd26 [1,0,0,0,0,1|2,0,0]=4 1882 B10R1.17 CCCOc1ccncc1 f349ca52270425380eacc7a2a158cca4 [1,0,0,0,0,1|2,0,0]=4 1883 B10R1.17 CCCOc1cnccn1 63621ef82dd8a608febe84451551c55a [1,0,0,0,0,1|2,0,0]=4 1884 B10R1.17 CCCOc1ncccn1 5c5a6b9b9ac104a48d6c4b0d32992f0c [1,0,0,0,0,1|2,0,0]=4 1885 B12R1.32 CCCC(=O)Nc1ccccn1 30e4202bb65eed068849d33fec5b876c [0,0,0,0,0,2|1,0,0]=3 1886 B12R1.32 CCCC(=O)Nc1cccnc1 565344d4bc011d959128a96e7e1c2253 [0,0,0,0,0,2|1,0,0]=3 1887 B12R1.32 CCCC(=O)Nc1cccnn1 8541b5403eebfa64b99d2e7720e62051 [0,0,0,0,0,2|1,0,0]=3 1888 B12R1.32 CCCC(=O)Nc1ccncn1 2a16a442f7fe13f94b5a68a37da318df [0,0,0,0,0,2|1,0,0]=3 1889 B12R1.32 CCCC(=O)Nc1cnccn1 13c8e9a41da05f49e09855d8ac2fe2c2 [0,0,0,0,0,2|1,0,0]=3 1890 B12R1.32 COCC(=O)Nc1ccccn1 f9e6fd9fc57ce0d213e8a8a98f19e960 [0,0,0,0,0,2|2,0,0]=4 1891 B12R1.32 COCC(=O)Nc1cccnc1 e27fb687fb4d23b787105034a2444ccc [0,0,0,0,0,2|2,0,0]=4 1892 B12R1.32 COCC(=O)Nc1cccnn1 0862870bff8404ca150710e27c042239 [0,0,0,0,0,2|2,0,0]=4 1893 B12R1.32 COCC(=O)Nc1ccncn1 c2e885631268eb3b742a1e3e9d7be05b [0,0,0,0,0,2|2,0,0]=4 1894 B12R1.32 COCC(=O)Nc1cnccn1 53a08f309f148348d2c2c0b882b82312 [0,0,0,0,0,2|2,0,0]=4 1895 B12R1.32 CSCC(=O)Nc1ccccn1 2d7cc7e6303b185d13666b92f5dbb824 [0,0,0,0,0,2|2,0,0]=4 1896 B12R1.32 CSCC(=O)Nc1ccncn1 ef195303b8407a1bb8d5951d1a7b7a41 [0,0,0,0,0,2|2,0,0]=4 1897 B12R1.32 CSCC(=O)Nc1cnccn1 7b1376f487a32fddb5bd193e1f0131ee [0,0,0,0,0,2|2,0,0]=4 1898 B12R1.32 O=C(CCF)Nc1ccccn1 ea4bc5548f168ed71070545911778e1d [0,0,0,0,0,2|2,0,0]=4 1899 B12R1.32 O=C(CCF)Nc1cccnc1 27cc6ce3cafa0f7021060e23d63d84c4 [0,0,0,0,0,2|2,0,0]=4 1900 B12R1.32 O=C(CCF)Nc1cccnn1 34ecd52c2c2e7b766b554f3f790ea727 [0,0,0,0,0,2|2,0,0]=4 1901 B12R1.32 O=C(CCF)Nc1ccncc1 6c20c4b947431aaadc0dccf950c741d3 [0,0,0,0,0,2|2,0,0]=4 1902 B12R1.32 O=C(CCF)Nc1ccncn1 9db08a2637a24c40bec30be3edada716 [0,0,0,0,0,2|2,0,0]=4 1903 B12R1.32 O=C(CCF)Nc1cnccn1 019ddd72cafd514c8084cad5d31c536c [0,0,0,0,0,2|2,0,0]=4 1904 B12R1.32 O=C(CCO)Nc1ccccn1 21dc9f5a4df84121109c1b09cc607124 [0,0,0,0,0,2|2,0,0]=4 1905 B12R1.32 O=C(CCO)Nc1cccnc1 99259424f2fd7eed4113ee6e569a0bc6 [0,0,0,0,0,2|2,0,0]=4 1906 B12R1.32 O=C(CCO)Nc1cccnn1 c4c9bd40390dcdbe9e07eaa24ce2c671 [0,0,0,0,0,2|2,0,0]=4 1907 B12R1.32 O=C(CCO)Nc1ccncn1 95d910b9db88ac3897cff901843d7ce0 [0,0,0,0,0,2|2,0,0]=4 1908 B12R1.32 O=C(CCO)Nc1cnccn1 63bdb317a8ec1c565d4c2cc6da3c40b9 [0,0,0,0,0,2|2,0,0]=4 1909 B12R1.32 O=C(CCS)Nc1ccccn1 e13765f0524ae0b0a39d40550d3f4621 [0,0,0,0,0,2|2,0,0]=4 1910 B12R1.32 O=C(CCS)Nc1cccnc1 bad7c1c02fed6e2253543d520b84fc48 [0,0,0,0,0,2|2,0,0]=4 1911 B12R1.32 O=C(CCS)Nc1cccnn1 ed237127c38068954ab7ac884dd988e5 [0,0,0,0,0,2|2,0,0]=4 1912 B12R1.32 O=C(CCS)Nc1ccncn1 37e5f89f2ce3caffb701a200b87edd69 [0,0,0,0,0,2|2,0,0]=4 1913 B12R1.32 O=C(CCS)Nc1cnccn1 536326e4472d18df205d789f2904f594 [0,0,0,0,0,2|2,0,0]=4 1914 B12R1.51 C#CCC(=O)NCc1ccco1 6ea8dc52ed1030262a633f90bb725d59 [0,0,0,0,0,2|0,0,2]=4 1915 B12R1.51 C/C=C/C(=O)NCc1ccco1 22834d2dfbfcc74e0a7d9a0b5153a364 [0,0,0,0,0,2|0,0,2]=4 1916 B12R1.51 C=CCC(=O)NCc1ccco1 a08d669ecb490459b829365f79f527ec [0,0,0,0,0,2|0,0,2]=4 1917 B12R1.51 CC#CC(=O)NCc1ccco1 f874842c5e34578d5df177e8c0116d7e [0,0,0,0,0,2|0,0,2]=4 1918 B12R1.51 CCCC(=O)CNc1cc[nH]n1 4ed9c299c40ec2f832aa52545c3cc5c5 [0,0,0,0,0,2|2,0,0]=4 1919 B12R1.51 CCCC(=O)CNc1cccs1 510ce4538513381cb2b5464c82afab60 [0,0,0,0,0,2|0,1,0]=3 1920 B12R1.51 CCCC(=O)CNc1ccno1 f93dc3c5018255d016c311a85195ae21 [0,0,0,0,0,2|1,0,0]=3 1921 B12R1.51 CCCC(=O)CNc1ccns1 790b4a4bd1c2dec17c66390fbacf81ea [0,0,0,0,0,2|1,1,0]=4 1922 B12R1.51 CCCC(=O)CNc1ccon1 edd5870f87483961e0f18b4e9a868430 [0,0,0,0,0,2|2,0,0]=4 1923 B12R1.51 CCCC(=O)CNc1ccsc1 3c158e54fd21e72c2f926bfbcf2df145 [0,0,0,0,0,2|2,0,0]=4 1924 B12R1.51 CCCC(=O)CNc1cncs1 1b6c10f63bf84199f722b684d130110a [0,0,0,0,0,2|1,1,0]=4 1925 B12R1.51 CCCC(=O)CNc1cocn1 65723615cde045fd6e279f7a7ef58d16 [0,0,0,0,0,2|2,0,0]=4 1926 B12R1.51 CCCC(=O)CNc1cscn1 62cf33590d170159bdefb1532a43e2df [0,0,0,0,0,2|2,0,0]=4 1927 B12R1.51 CCCC(=O)CNc1ncc[nH]1 d2b5ac9e68412179c6cfcd48b6382c8c [0,0,0,0,0,2|2,0,0]=4 1928 B12R1.51 CCCC(=O)CNc1ncco1 20d71f7a180cc71717d8db98222a1b8c [0,0,0,0,0,2|1,0,0]=3 1929 B12R1.51 CCCC(=O)CNc1nccs1 8329238f3bb10bafd537884ca3a2291b [0,0,0,0,0,2|1,1,0]=4 1930 B12R1.51 CCCC(=O)COc1c[nH]cn1 2306ec5fa7f93c30ab3e6ce854e28db6 [0,0,0,0,0,2|2,0,0]=4 1931 B12R1.51 CCCC(=O)COc1ccco1 17063ad1e4dbe751a7be7a21bba1bcd0 [0,0,0,0,0,2|0,0,0]=2 1932 B12R1.51 CCCC(=O)COc1cccs1 f5b4cb870ac2a841382058ce2c068300 [0,0,0,0,0,2|0,1,0]=3 1933 B12R1.51 CCCC(=O)COc1ccn[nH]1 07d0c171109df251ae3046392a6a02e9 [0,0,0,0,0,2|2,0,0]=4 1934 B12R1.51 CCCC(=O)COc1ccsc1 0d609fd847a43fa54391f35185190180 [0,0,0,0,0,2|2,0,0]=4 1935 B12R1.51 CCCC(=O)COc1nccs1 76feda449c22770a900139e73db99aae [0,0,0,0,0,2|1,1,0]=4 1936 B12R1.51 CCCC(=O)COn1cccn1 779656320682da51faae529b589f143e [0,0,0,0,0,2|2,0,0]=4 1937 B12R1.51 CCCC(=O)NCc1ccco1 ce73a3e2d6c143c7e7957ed4af9c441b [0,0,0,0,0,2|0,0,0]=2 1938 B12R1.51 CCCC(=O)NCc1cccs1 3fa9b846891b27864ac91e4223d91ff8 [0,0,0,0,0,2|0,1,0]=3 1939 B12R1.51 CCCC(=O)NCc1ccno1 bb009afb5ee5098af3de925656ab6618 [0,0,0,0,0,2|1,0,0]=3 1940 B12R1.51 CCCC(=O)NCc1ccns1 53849cfcb3c7e0c968017f7242d4f512 [0,0,0,0,0,2|1,1,0]=4 1941 B12R1.51 CCCC(=O)NCc1ccoc1 451af61f454803d2238360acc43df00b [0,0,0,0,0,2|2,0,0]=4 1942 B12R1.51 CCCC(=O)NCc1ccon1 6afa99b66026e6e36188ceafd5cba96e [0,0,0,0,0,2|2,0,0]=4 1943 B12R1.51 CCCC(=O)NCc1ccsc1 d67e1d2084751d1e649900e7019356a0 [0,0,0,0,0,2|2,0,0]=4 1944 B12R1.51 CCCC(=O)NCc1ccsn1 b0df87fa5281be3ffdf8501a91267a85 [0,0,0,0,0,2|2,0,0]=4 1945 B12R1.51 CCCC(=O)NCc1cnco1 247013ccfda1e1c10b7d5ef3e5bd1005 [0,0,0,0,0,2|1,0,0]=3 1946 B12R1.51 CCCC(=O)NCc1cncs1 e866c6274cd704a3a73cfea0525e6fb8 [0,0,0,0,0,2|1,1,0]=4 1947 B12R1.51 CCCC(=O)NCc1cocn1 feb08e434ce47adfc7e9cbef7c45d170 [0,0,0,0,0,2|2,0,0]=4 1948 B12R1.51 CCCC(=O)NCc1cscn1 aee78a0744461540a164af391448218f [0,0,0,0,0,2|2,0,0]=4 1949 B12R1.51 CCCC(=O)NCc1ncco1 88d40b36d042ed543e81e4449612f1c4 [0,0,0,0,0,2|1,0,0]=3 1950 B12R1.51 CCCC(=O)NCc1nccs1 a47a1fb03122bd48660b2fd928c2f713 [0,0,0,0,0,2|1,1,0]=4 1951 B12R1.51 CCCC(=S)OCc1ccco1 8121dc76523569851a233c8994ab0d3d [0,0,0,0,0,2|0,1,0]=3 1952 B12R1.51 CCCC(=S)OCc1cccs1 7abaf3963298e262d490103a5661bc80 [0,0,0,0,0,2|0,2,0]=4 1953 B12R1.51 CCCC(=S)OCc1ccno1 91d0f9c2642ea34d7f75b6161084e912 [0,0,0,0,0,2|1,1,0]=4 1954 B12R1.51 CCCC(=S)OCc1ncco1 8d1fa27f62edabf4eb984fe328c0b227 [0,0,0,0,0,2|1,1,0]=4 1955 B12R1.51 CCCC(C)COc1ccco1 34efdae75d957bce0bf87430fb46fa04 [0,0,0,0,0,2|1,0,1]=4 1956 B12R1.51 CCCC(C)NCc1ccco1 cb2feb7a0aebe23af976f4fc49eafc65 [0,0,0,0,0,2|1,0,1]=4 1957 B12R1.51 CCCC(C)OCc1ccco1 8c1a6f378e4d0c7509435db854b3c00e [0,0,0,0,0,2|1,0,1]=4 1958 B12R1.51 CCCC(O)CNc1ccco1 e2a6210d9baeb98f530925920f809517 [0,0,0,0,0,2|0,0,2]=4 1959 B12R1.51 CCC[C@@H](C)OCc1ccco1 6b8e6cdeb644c476e2b16b0282ac258d [0,0,0,0,0,2|1,0,1]=4 1960 B12R1.51 CCC[C@H](C)NCc1ccco1 88f3a404ee4e8db0f2ab54f158bc5173 [0,0,0,0,0,2|1,0,1]=4 1961 B12R1.51 CCC[C@H](C)OCc1ccco1 cadc03b063a9a894c57a4fe17016059c [0,0,0,0,0,2|1,0,1]=4 1962 B12R1.51 CCNC(=O)CNc1ccco1 5590b2ece633c7c02a9cd4be42be8d20 [0,0,0,0,0,2|1,0,0]=3 1963 B12R1.51 CCNC(=O)CNc1cccs1 7d7bfadec1868b351f3db9135e4d4908 [0,0,0,0,0,2|1,1,0]=4 1964 B12R1.51 CCNC(=O)CNc1ccno1 389e9a1a79f4b818a7b18d76f6e1ac14 [0,0,0,0,0,2|2,0,0]=4 1965 B12R1.51 CCNC(=O)CNc1ncco1 07c2d5de8cb179ab15c1cf3a66bbff1c [0,0,0,0,0,2|2,0,0]=4 1966 B12R1.51 CCNC(=O)COc1ccco1 aa407d45a7af23fc8b77c5341fbc5fa7 [0,0,0,0,0,2|1,0,0]=3 1967 B12R1.51 CCNC(=O)COc1cccs1 67120e0699fcff3d805546609fba12a6 [0,0,0,0,0,2|1,1,0]=4 1968 B12R1.51 CCOC(=O)CNc1ccco1 670527ba3dc1dd36636f60cb57c041c2 [0,0,0,0,0,2|1,0,0]=3 1969 B12R1.51 CCOC(=O)CNc1cccs1 63a74f49bd02d5f012482dad172e6d0a [0,0,0,0,0,2|1,1,0]=4 1970 B12R1.51 CCOC(=O)CNc1ccno1 b946e908fcbab2c799694b332e773e78 [0,0,0,0,0,2|2,0,0]=4 1971 B12R1.51 CCOC(=O)CNc1ncco1 476ecfb6919ce89e578a60941ed73d26 [0,0,0,0,0,2|2,0,0]=4 1972 B12R1.51 CCOC(=O)COc1ccco1 d79d63bf6dfa9a495311c3938169b1d0 [0,0,0,0,0,2|1,0,0]=3 1973 B12R1.51 CCOC(=O)COc1cccs1 f9694a195aeb3518368016834f40b223 [0,0,0,0,0,2|1,1,0]=4 1974 B12R1.51 COCC(=O)CNc1ccno1 3cb49c6a28fa1a81777b3b7c7b571720 [0,0,0,0,0,2|2,0,0]=4 1975 B12R1.51 COCC(=O)COc1ccco1 9864eb1033730562313eca64e79023b9 [0,0,0,0,0,2|1,0,0]=3 1976 B12R1.51 COCC(=O)NCc1ccco1 d361af16eac5f104984530292107aa26 [0,0,0,0,0,2|1,0,0]=3 1977 B12R1.51 COCC(=O)NCc1cccs1 17a5e8446399ac1cc5708fd3a322859b [0,0,0,0,0,2|1,1,0]=4 1978 B12R1.51 COCC(=O)NCc1ccno1 c9b4c569a6735379b0992ce3b948759e [0,0,0,0,0,2|2,0,0]=4 1979 B12R1.51 COCC(=O)NCc1cnco1 22edcc68fa354d30555cb96958425013 [0,0,0,0,0,2|2,0,0]=4 1980 B12R1.51 COCC(=O)NCc1ncco1 fec39f7d8dd5cca33c8547b9ab6aec7a [0,0,0,0,0,2|2,0,0]=4 1981 B12R1.51 CSCC(=O)NCc1ccco1 22aacf48f67d51e903ab97124be12ef7 [0,0,0,0,0,2|1,0,0]=3 1982 B12R1.51 CSCC(=O)NCc1cccs1 139601ec2ef91fc28858209e2523e927 [0,0,0,0,0,2|1,1,0]=4 1983 B12R1.51 CSCC(=O)NCc1ccno1 3159dac1e9bf2912c093d87661447187 [0,0,0,0,0,2|2,0,0]=4 1984 B12R1.51 CSCC(=O)NCc1cnco1 5794254ddb3c2947928edb7491d4bf46 [0,0,0,0,0,2|2,0,0]=4 1985 B12R1.51 CSCC(=O)NCc1ncco1 623cb02f6bf4afeae866bb8fc65b2ccf [0,0,0,0,0,2|2,0,0]=4 1986 B12R1.51 N#CCC(=O)NCc1ccco1 b89d60a0d69d715632b047b7357c1671 [0,0,0,0,0,2|1,0,1]=4 1987 B12R1.51 NOCC(=O)NCc1ccco1 55c89cd71ee583253c7fc3c85e0df85d [0,0,0,0,0,2|2,0,0]=4 1988 B12R1.51 O=C(CCF)NCc1ccco1 de87c88b7371ee6a55d143d10f42ba71 [0,0,0,0,0,2|1,0,0]=3 1989 B12R1.51 O=C(CCF)NCc1cccs1 045ecfb57c01091faa55587d07524e3d [0,0,0,0,0,2|1,1,0]=4 1990 B12R1.51 O=C(CCF)NCc1ccno1 ae07e7f8914fe1c9df8f6d720448464e [0,0,0,0,0,2|2,0,0]=4 1991 B12R1.51 O=C(CCF)NCc1cnco1 901d08beefc57deab74fbd3abe5937ef [0,0,0,0,0,2|2,0,0]=4 1992 B12R1.51 O=C(CCF)NCc1ncco1 9381fcdbcd2753a63625c42b9370b7df [0,0,0,0,0,2|2,0,0]=4 1993 B12R1.51 O=C(CCO)NCc1ccco1 6d6a148358e8c13c0dbc5c3ac54846b8 [0,0,0,0,0,2|1,0,0]=3 1994 B12R1.51 O=C(CCO)NCc1cccs1 ce42179162a865088fbee076fc4b5f4c [0,0,0,0,0,2|1,1,0]=4 1995 B12R1.51 O=C(CCO)NCc1ccno1 0c6c42845930d1f94334efccccdaebe7 [0,0,0,0,0,2|2,0,0]=4 1996 B12R1.51 O=C(CCO)NCc1cnco1 20e2bb10fba6d7814e964102dc595de3 [0,0,0,0,0,2|2,0,0]=4 1997 B12R1.51 O=C(CCO)NCc1ncco1 e24be4bfc2450d1e80928e80a829a795 [0,0,0,0,0,2|2,0,0]=4 1998 B12R1.51 O=C(CCS)NCc1ccco1 f7fddeeb38ca92e0955608e835407398 [0,0,0,0,0,2|1,0,0]=3 1999 B12R1.51 O=C(CCS)NCc1cccs1 302cf06de464e88d7b60b037d4bf288d [0,0,0,0,0,2|1,1,0]=4 2000 B12R1.51 O=C(CCS)NCc1ccno1 caac430e9eadca05fdb94e2ceb3d3b94 [0,0,0,0,0,2|2,0,0]=4 2001 B12R1.51 O=C(CCS)NCc1cnco1 a6fecd441e4615c46ac3b87547dad3ce [0,0,0,0,0,2|2,0,0]=4 2002 B12R1.51 O=C(CCS)NCc1ncco1 a3d490c31f1b64da2bbd7a258eccd7e8 [0,0,0,0,0,2|2,0,0]=4 2003 B12R1.51 O=CCC(=O)NCc1ccco1 446fe2ef4c74b694f0bf0d446ec23dff [0,0,0,0,0,2|1,0,1]=4