0 B10R1.39 CC(=O)N1CC=CC1CO ffa2c71ca856526b86f068e4cf11b180 [0,0,0,0,0,0|3,0,1]=4 1 B10R1.39 CCN1CC=CC1C(=O)O 89bda72f1795ce7a5213b1771e1a2eff [0,0,0,0,0,0|1,0,2]=3 2 B10R1.39 CCN1CC=CC1C(C)C 9604e9d46211e1638f0162e752fb6985 [0,0,0,0,0,0|1,0,3]=4 3 B10R1.39 CCN1CC=C[C@H]1C(=O)O 1bffb48288adbee6e99329e108e2b55e [0,0,0,0,0,0|1,0,2]=3 4 B10R1.39 O=C(O)C1C=CCN1CF b051e141f32c1406105e71fd28ed1236 [0,0,0,0,0,0|2,0,2]=4 5 B10R1.39 O=C(O)C1C=CCN1CO 13e71b629cf749e39c62fa6691de0d11 [0,0,0,0,0,0|2,0,2]=4 6 B10R1.39 O=C(O)[C@@H]1C=CCN1CF d9b553fc0366832943e7322132028dbf [0,0,0,0,0,0|2,0,2]=4 7 B10R1.39 O=C(O)[C@@H]1C=CCN1CO 62b0f7bdda4b7c1d2befb4f114cf8c63 [0,0,0,0,0,0|2,0,2]=4 8 B11R1.178 CC(=O)N1CC=CC1C(C)C bc4275673ec7bf9e1d59a65f87f7a9e2 [0,1,0,0,0,0|2,0,1]=4 9 B11R1.178 CC(C)N1CC=CC1C(=O)O 6e5edbcb552842210168a7cbcf11938e [0,1,0,0,0,0|1,0,2]=4 10 B11R1.178 CC(C)N1CC=C[C@H]1C(=O)O e665fee756eb795017c1c05d73afccb4 [0,1,0,0,0,0|1,0,2]=4 11 B11R1.193 CC(=O)c1ccsc1NCF 7f56c3ea686155585243031812d21777 [0,1,0,0,0,0|3,0,0]=4 12 B11R1.193 CC(=O)c1ccsc1NCO ed0d495723156970dbb61a409960e771 [0,1,0,0,0,0|3,0,0]=4 13 B11R1.193 CC(=O)c1sccc1NCF a72468d845ecd2b7bfd848900d33d76b [0,1,0,0,0,0|3,0,0]=4 14 B11R1.193 CC(=O)c1sccc1NCO 9a271d2e8b8bf9151ec8cb21577f8b26 [0,1,0,0,0,0|3,0,0]=4 15 B11R1.193 CC(=O)c1sccc1OCF 2471377088bfc8f0871201044b2067b4 [0,1,0,0,0,0|3,0,0]=4 16 B11R1.193 CCCC1C=CCN1C(=O)C bcf9385f3628d58a1e79b8c9ebcb7966 [0,1,0,0,0,0|2,0,1]=4 17 B11R1.193 CCCN1CC=CC1C(=O)O 83b234cf95cd102544ae8ea4347db897 [0,1,0,0,0,0|1,0,2]=4 18 B11R1.193 CCCN1CC=C[C@H]1C(=O)O cf8fb11416353100381269c114cc9eac [0,1,0,0,0,0|1,0,2]=4 19 B11R1.193 CCNc1ccsc1C(=O)C 3c2b645e644a33d4eff0169d81e9881b [0,1,0,0,0,0|2,0,0]=3 20 B11R1.193 CCNc1ccsc1C(=O)N bb5e430206163540dd89aa1141475aaa [0,1,0,0,0,0|3,0,0]=4 21 B11R1.193 CCNc1ccsc1C(=O)O 3706ac313ad810e4036ec36833d294ab [0,1,0,0,0,0|3,0,0]=4 22 B11R1.193 CCNc1cscc1C(=O)O 38de31d4e6e76600f8d5affecbfef2eb [0,1,0,0,0,0|3,0,0]=4 23 B11R1.193 CCNc1n[nH]cc1C(=O)C 1538d59a3931f1bbf7e302abee9305b7 [0,1,0,0,0,0|3,0,0]=4 24 B11R1.193 CCNc1sccc1C(=O)C c8378ca4666e458e1c072a8a29c580ce [0,1,0,0,0,0|2,0,0]=3 25 B11R1.193 CCNc1sccc1C(=O)N affc9662a86cb3a16592e2b50a96a06a [0,1,0,0,0,0|3,0,0]=4 26 B11R1.193 CCNc1sccc1C(=O)O 23e0578146fcc9d31bfc8187826e142f [0,1,0,0,0,0|3,0,0]=4 27 B11R1.193 CCOc1ccsc1C(=O)C 78c6316a803a61759033f5c1b936826c [0,1,0,0,0,0|2,0,0]=3 28 B11R1.193 CCOc1ccsc1C(=O)O 668fe112dc1509d7263b288284e72035 [0,1,0,0,0,0|3,0,0]=4 29 B11R1.193 COCN1CC=CC1C(=O)O 5f9e0a0b825b7e933622dec390024c30 [0,1,0,0,0,0|1,0,2]=4 30 B11R1.193 COCN1CC=C[C@H]1C(=O)O 47177b043e9b850367ead8ff5f898c80 [0,1,0,0,0,0|1,0,2]=4 31 B11R1.193 CSCN1CC=CC1C(=O)O fb6414e4a700e27428b5acf0307054b4 [0,1,0,0,0,0|1,0,2]=4 32 B11R1.193 CSCN1CC=C[C@H]1C(=O)O c6d6a0044058c4871d9a41ce1d053309 [0,1,0,0,0,0|1,0,2]=4 33 B11R1.193 O=C(O)C1C=CCN1CCF 3af4ce68c62c16896749f4df899a65c4 [0,1,0,0,0,0|1,0,2]=4 34 B11R1.193 O=C(O)C1C=CCN1CCO 732a1664e1a01a70578c07d6cac22313 [0,1,0,0,0,0|1,0,2]=4 35 B11R1.193 O=C(O)C1C=CCN1CCS 819433a54522c5d85bf0dad37ca08ccb [0,1,0,0,0,0|1,0,2]=4 36 B11R1.193 O=C(O)[C@@H]1C=CCN1CCF 2896adafa1285368bbf62b4dd89e41d5 [0,1,0,0,0,0|1,0,2]=4 37 B11R1.193 O=C(O)[C@@H]1C=CCN1CCO c31eaf7ed5e707a6cf580c89baa4dde2 [0,1,0,0,0,0|1,0,2]=4 38 B11R1.193 O=C(O)[C@@H]1C=CCN1CCS 556cb909abde818f543e9761b345adbf [0,1,0,0,0,0|1,0,2]=4 39 B9R0.14 C=CCN(CC)CC(=C)C 88e3a53876b04948dc652e04a3a206f5 [0,0,1,0,0,0|1,0,2]=4 40 B9R0.14 C=CCN(CC)CC(=O)O 8a2022935676f2fe3b417e9ee3e3ec70 [0,0,1,0,0,0|1,0,2]=4 41 B9R0.15 C=CCC(NCC)C(=O)O b3f29113389d44df1a0d4b3e259a33e1 [0,0,1,0,0,0|1,0,2]=4 42 B9R0.15 C=CCN(CCC)C(=O)C 19aa46c6abe99516c2ace8db6d01dd0f [0,0,1,0,0,0|2,0,1]=4 43 B9R0.15 C=CC[C@@H](NCC)C(=O)O db67da19936564e8c3e872be215c4741 [0,0,1,0,0,0|1,0,2]=4 44 B9R0.15 C=CC[C@H](NCC)C(=O)O 9f28a86892ba5c9cc533cac10afcbd1e [0,0,1,0,0,0|1,0,2]=4 45 B11R1.53 CCN1CC=CC[C@H]1C(=O)O 31ffa7d9aa542b33e89e7c925519016f [0,0,0,0,0,1|1,0,2]=4 46 B11R1.57 CC(=O)Nc1ccsc1CO e5a81fd810bf60223e0d4ca333a3f834 [0,0,0,0,0,1|3,0,0]=4 47 B11R1.57 CCc1cnoc1NC(=O)C bcec49d28da2d9c8c4a54668a95caa0b [0,0,0,0,0,1|3,0,0]=4 48 B11R1.57 CCn1ccnc1NC(C)C 0c5979b5a5b6726ae67e134c682e596a [0,0,0,0,0,1|2,0,1]=4 49 B11R1.57 CCn1cncc1NC(=O)C c4d7ba8ba41ca411a6b4a5e5ee51ae49 [0,0,0,0,0,1|1,0,0]=2 50 B11R1.57 CCn1cncc1NC(C)C d43d81bb3e7067b1a1ffcd86f89c8618 [0,0,0,0,0,1|2,0,1]=4 51 B11R1.57 CCn1nccc1NC(=O)C 3bd1a2bb48e030c8db0e83f052e857bf [0,0,0,0,0,1|1,0,0]=2 52 B11R1.57 CCn1nccc1NC(C)C a0b32f914a6c93af48b075a4fb2fba8d [0,0,0,0,0,1|2,0,1]=4 53 B11R1.57 CCn1nccc1OC(C)C 6a6e4e1846e9cb317b9978f0e5421067 [0,0,0,0,0,1|2,0,1]=4 54 B11R1.57 CCn1nncc1NC(=O)C 96ab3ad711ccd5aaefcd7077d3132d09 [0,0,0,0,0,1|2,0,0]=3 55 B11R1.266 CCN1CCC=C(C1)C(=O)O bd5d0a587e6607e4098300762726f647 [0,0,0,0,0,1|1,0,2]=4 56 B8R0.4 C/C=C/C=C/COCC 48048cc52dfb080561bace8cd1da333e [1,0,1,0,0,0|1,0,1]=4 57 B8R0.4 CC=CC=CCOCC 6e3d8f43dbdb54d7ac9426c55e4b046b [1,0,1,0,0,0|1,0,1]=4 58 B8R0.7 CCNC/C=C/C(=O)O d0499e3991f67013ba9a4ec4c13f446c [1,0,1,0,0,0|1,0,1]=4 59 B8R0.7 CCNCC=CC(=O)O e5cbdf981b4630f2923b926612b3f826 [1,0,1,0,0,0|1,0,1]=4 60 B8R0.15 C=CC(NCC)C(=O)O b4ac7d60381bf72b1b23118f771cafec [1,0,1,0,0,0|1,0,1]=4 61 B8R0.15 C=C[C@H](NCC)C(=O)O 5c2988d6d8a73101b114f1f85def6c90 [1,0,1,0,0,0|1,0,1]=4 62 B8R0.2 CCN(C)C(=O)C(=O)C f60b3512bf731817ed8f594771284a74 [1,0,1,0,0,0|1,0,1]=4 63 B10R0.78 CCCNC(=O)/C=C/C(=O)C 023443972f72c90c068ee13cf91b1055 [0,1,1,0,0,0|2,0,0]=4 64 B10R0.78 CCCNC(=O)C=CC(=O)C bf4993d97b5dfefb098c1801d09f3ab7 [0,1,1,0,0,0|2,0,0]=4 65 B10R0.54 C=CC(=O)N(CC)CC(=C)C e35c56d41b80513b2ab9b954358a7fd9 [0,1,1,0,0,0|1,0,1]=4 66 B10R0.73 C=CC[C@H](NCC)C(=O)OC 73e666c3e95749f8e67277b27b23878f [0,1,1,0,0,0|0,0,2]=4 67 B10R1.5 CCNc1ccnn1CC a8c2e6227ad236aff4aab5353f5fc877 [1,1,0,0,0,0|1,0,1]=4 68 B10R1.5 CCNc1ccsc1C=O 5739aaa524bdea2eacc804608ada4716 [1,1,0,0,0,0|2,0,0]=4 69 B10R1.5 CCNc1cncn1CC cdde5bb12502ac1a961406be69dd13fc [1,1,0,0,0,0|1,0,1]=4 70 B10R1.5 CCNc1nccn1CC 2418a634306d1624fb55eebce21ea10d [1,1,0,0,0,0|1,0,1]=4 71 B10R1.5 CCOc1ccnn1CC 85d5d37054bd20450c8ff58386961822 [1,1,0,0,0,0|1,0,1]=4 72 B10R1.5 CCn1ccnc1NCF 623f56b4cf82d019fe19d65590bfae3a [1,1,0,0,0,0|2,0,0]=4 73 B10R1.5 CCn1ccnc1NCO 3f9166664957718ce6262d0aa55bf62f [1,1,0,0,0,0|2,0,0]=4 74 B10R1.5 CCn1cncc1NC=O 694fc239d4990b10cd2b9087a2367d5c [1,1,0,0,0,0|1,0,0]=3 75 B10R1.5 CCn1cncc1NCF 5295475e27f6556467e1d33c08480c15 [1,1,0,0,0,0|2,0,0]=4 76 B10R1.5 CCn1cncc1NCO ea58463401df303fcc6648111853d55c [1,1,0,0,0,0|2,0,0]=4 77 B10R1.5 CCn1nccc1NC=O 401bcf6b7a4ce72c3e93e2185060062e [1,1,0,0,0,0|1,0,0]=3 78 B10R1.5 CCn1nccc1NCF 8771bffc0c879b0c0c690251ce5913fb [1,1,0,0,0,0|2,0,0]=4 79 B10R1.5 CCn1nccc1NCO 781a67746d45f4f8f865fdf3ebb70861 [1,1,0,0,0,0|2,0,0]=4 80 B10R1.5 CCn1nccc1OCF 9a635d41a67b78f87e565ffa2a1dc9b2 [1,1,0,0,0,0|2,0,0]=4 81 B10R1.5 CCn1nncc1NC=O a34fef236fcc051462eeb86476d2cfe5 [1,1,0,0,0,0|2,0,0]=4 82 B12R1.283 C=C(C)c1ccccc1NCC ea0e505bed19cf1b742d99e81e2a19c1 [0,1,0,0,0,1|2,0,0]=4 83 B12R1.283 CC(=O)c1ccccc1NCF 1ab72f8578521c110c575d66405b41a2 [0,1,0,0,0,1|2,0,0]=4 84 B12R1.283 CC(=O)c1ccccc1NCO d2e1f2231008fa0aa6673cb43185414d [0,1,0,0,0,1|2,0,0]=4 85 B12R1.283 CC(=O)c1ccccc1OCF 57e0947b71fc32a997b474f3cb66ed64 [0,1,0,0,0,1|2,0,0]=4 86 B12R1.283 CC(=O)c1cccnc1NCF c35e4fc64ad0f6c682612db9b36baae5 [0,1,0,0,0,1|2,0,0]=4 87 B12R1.283 CC(=O)c1cccnc1NCO aef6d79ed02160dd4319b2531e0459b1 [0,1,0,0,0,1|2,0,0]=4 88 B12R1.283 CC(=O)c1ccncc1NCF f727cb388969ea220cd76d1a1e3fd8ed [0,1,0,0,0,1|2,0,0]=4 89 B12R1.283 CC(=O)c1ccncc1NCO 9240a9d17cf684f551f3d38ef25f7e78 [0,1,0,0,0,1|2,0,0]=4 90 B12R1.283 CC(=O)c1ccncc1OCF d0746831fbd351448298f182cfdaff12 [0,1,0,0,0,1|2,0,0]=4 91 B12R1.283 CC(=O)c1cnccc1NCF c616f3751f5aeb895004151b3321e9bb [0,1,0,0,0,1|2,0,0]=4 92 B12R1.283 CC(=O)c1cnccc1NCO 30a52b49b6d0ffb88c46cd5b9d6d76f7 [0,1,0,0,0,1|2,0,0]=4 93 B12R1.283 CC(=O)c1ncccc1NCF 67547632163730f77af206fb9c60d5b8 [0,1,0,0,0,1|2,0,0]=4 94 B12R1.283 CC(=O)c1ncccc1NCO 61c165b8e70519b61a2d5216b4a0c39e [0,1,0,0,0,1|2,0,0]=4 95 B12R1.283 CC(=O)c1ncccc1OCF 965cfc8dfe34eef9a7d9eb7d3794e9e0 [0,1,0,0,0,1|2,0,0]=4 96 B12R1.283 CCNc1ccccc1C(=O)C 70fd1d8c924ed02da7b250b50c87efa2 [0,1,0,0,0,1|1,0,0]=3 97 B12R1.283 CCNc1ccccc1C(=O)N 1926739e42140aaaa1381ff498dce0ea [0,1,0,0,0,1|2,0,0]=4 98 B12R1.283 CCNc1ccccc1S(=O)C eea31bb6479fbda957125f4f29daefac [0,1,0,0,0,1|2,0,0]=4 99 B12R1.283 CCNc1cccnc1C(=O)C a302b5ac9f7dca10b1f4e7b92f67cad4 [0,1,0,0,0,1|1,0,0]=3 100 B12R1.283 CCNc1cccnc1C(=O)N 0598b602d8fd5dd0e55e91c7b5787e7b [0,1,0,0,0,1|2,0,0]=4 101 B12R1.283 CCNc1cccnc1C(=O)O dc915199c0e30814045c51f5f9d2cdac [0,1,0,0,0,1|2,0,0]=4 102 B12R1.283 CCNc1ccncc1C(=O)C 1bb8292919ccdda1d4c5d2effd59dd23 [0,1,0,0,0,1|1,0,0]=3 103 B12R1.283 CCNc1ccncc1C(=O)N b76ee50bd8bb4e379e724e9668603f3f [0,1,0,0,0,1|2,0,0]=4 104 B12R1.283 CCNc1ccncc1C(=O)O b1248b142e3558208eecd69c94c2419a [0,1,0,0,0,1|2,0,0]=4 105 B12R1.283 CCNc1cnccc1C(=O)C 220418558fcf44b67c42a89b44668a1c [0,1,0,0,0,1|1,0,0]=3 106 B12R1.283 CCNc1cnccc1C(=O)N ff724fc5139a59da98b4e57a237624a9 [0,1,0,0,0,1|2,0,0]=4 107 B12R1.283 CCNc1cnccc1C(=O)O 02d8c1c81d521a5f24367412280d51b5 [0,1,0,0,0,1|2,0,0]=4 108 B12R1.283 CCNc1ncccc1C(=O)C bd99c7d7e7fffc79d9dc62042e9b30b5 [0,1,0,0,0,1|1,0,0]=3 109 B12R1.283 CCNc1ncccc1C(=O)N 76f0d1d44d0a6f90c2232789d542b19b [0,1,0,0,0,1|2,0,0]=4 110 B12R1.283 CCNc1ncccc1C(=O)O f102b82bd6d48d57eee0f84b2648bada [0,1,0,0,0,1|2,0,0]=4 111 B12R1.283 CCNc1nccnc1C(=O)C f80d450ada52c8b62523cc882cc50785 [0,1,0,0,0,1|2,0,0]=4 112 B12R1.283 CCNc1ncncc1C(=O)C f024b2b8c7993f7043a27c2ac949f49f [0,1,0,0,0,1|2,0,0]=4 113 B12R1.283 CCOc1ccccc1C(=O)C 714020703c7343bf4297a0ea0ff54652 [0,1,0,0,0,1|1,0,0]=3 114 B12R1.283 CCOc1ccccc1C(=O)N 3f06cd2d07f6811aa6f09c5cc570f689 [0,1,0,0,0,1|2,0,0]=4 115 B12R1.283 CCOc1ccccc1C(=O)O 6b1a5e508cb085c6b35ea5df73a75644 [0,1,0,0,0,1|2,0,0]=4 116 B12R1.283 CCOc1ccccc1S(=O)C e5b7eef15aa9fbeb7e7a68972b3e7fbc [0,1,0,0,0,1|2,0,0]=4 117 B12R1.283 CCOc1cccnc1C(=O)C c37ff750f0bc9c3082979457f99ba362 [0,1,0,0,0,1|1,0,0]=3 118 B12R1.283 CCOc1cccnc1C(=O)N 78621c1e03134234e9e226036539949a [0,1,0,0,0,1|2,0,0]=4 119 B12R1.283 CCOc1cccnc1C(=O)O f573e257407c1f9b919d1c95aee1d945 [0,1,0,0,0,1|2,0,0]=4 120 B12R1.283 CCOc1ccncc1C(=O)N df71e374bd5e35f657d432f407950042 [0,1,0,0,0,1|2,0,0]=4 121 B12R1.283 CCOc1ccncc1C(=O)O adbc21efef717d8df8cb151f07d20290 [0,1,0,0,0,1|2,0,0]=4 122 B12R1.283 CCOc1cnccc1C(=O)C 9eedc705f2ddd56796529136a8fdeefb [0,1,0,0,0,1|1,0,0]=3 123 B12R1.283 CCOc1cnccc1C(=O)N cf5e9e0da5b5d29ad793346b16c75dda [0,1,0,0,0,1|2,0,0]=4 124 B12R1.283 CCOc1cnccc1C(=O)O 94430487aa2eb034137044d53b52c591 [0,1,0,0,0,1|2,0,0]=4 125 B12R1.283 CCOc1ncccc1C(=O)N 401540195c4d9a982da8dd1e274713b0 [0,1,0,0,0,1|2,0,0]=4 126 B12R1.283 CCOc1ncccc1C(=O)O 6df1f7b7a95317b99239972f7ee74542 [0,1,0,0,0,1|2,0,0]=4 127 B12R1.65 CCn1nc(cc1NC(=O)C)C 80083345c6cb9793e441c9175fafa157 [0,1,0,0,0,1|1,0,0]=3 128 B12R1.82 C#CC(=O)Nc1ccnn1CC 93327d43ebea09b252078fbf570403e7 [0,1,0,0,0,1|1,0,1]=4 129 B12R1.82 C#CC(=O)Nc1cncn1CC a762337f6446f97a07cbe26d68ab1b15 [0,1,0,0,0,1|1,0,1]=4 130 B12R1.82 C=CC(=O)Nc1ccnn1CC ced51f5f812f3a5074f5ae34a41a78d7 [0,1,0,0,0,1|1,0,1]=4 131 B12R1.82 C=CC(=O)Nc1cncn1CC a5be58473e5dbf81eb071ac0365a904d [0,1,0,0,0,1|1,0,1]=4 132 B12R1.82 CCC(=O)Nc1ccnn1CC c867b60f5515aa011ef7613c76a38aa6 [0,1,0,0,0,1|1,0,0]=3 133 B12R1.82 CCC(=O)Nc1cncn1CC 155a21168356232b533e97f6a88b749e [0,1,0,0,0,1|1,0,0]=3 134 B12R1.82 CCC(=O)Nc1cnnn1CC 5c05c1705009725cf39e704087df063b [0,1,0,0,0,1|2,0,0]=4 135 B12R1.82 CCn1ccnc1CN(C)C=O 9bd8b9d3a6b753e1957d51b12c3a4570 [0,1,0,0,0,1|2,0,0]=4 136 B12R1.82 CCn1ccnc1NC(C)C=O dd89038ed203bcce2cb2086f3cbb02a3 [0,1,0,0,0,1|1,0,1]=4 137 B12R1.82 CCn1ccnc1N[C@H](C)C=O 3f48ddb76a4837744c8e704c28f0287c [0,1,0,0,0,1|1,0,1]=4 138 B12R1.82 CCn1cncc1NC(=O)C=O d87b69385ee9651b7cdfe528707cba45 [0,1,0,0,0,1|1,0,1]=4 139 B12R1.82 CCn1cncc1NC(=O)CF ce0eff9564fd0d8af3689aaca5b22621 [0,1,0,0,0,1|1,0,0]=3 140 B12R1.82 CCn1cncc1NC(=O)CO 12557ed397b014b6d755a90672d1e4dc [0,1,0,0,0,1|1,0,0]=3 141 B12R1.82 CCn1cncc1NC(=O)CS a5fc87b0f1b4c7ebdcca33af8cf72e8e [0,1,0,0,0,1|1,0,0]=3 142 B12R1.82 CCn1cncc1NC(C)C=O 7beb7871d9c290833d9b64a51ac94d88 [0,1,0,0,0,1|1,0,1]=4 143 B12R1.82 CCn1cncc1N[C@H](C)C=O b71cd2a9aeea2e5de5beebd5e77d35aa [0,1,0,0,0,1|1,0,1]=4 144 B12R1.82 CCn1nccc1CN(C)C=O 45eeb1a60a3e76fe75343bba4b285ed2 [0,1,0,0,0,1|2,0,0]=4 145 B12R1.82 CCn1nccc1NC(=O)C=O 2a010f3fa69046415bb58fb2c65f4b0f [0,1,0,0,0,1|1,0,1]=4 146 B12R1.82 CCn1nccc1NC(=O)CF c7f066b851215849d9a8c5d043d129f3 [0,1,0,0,0,1|1,0,0]=3 147 B12R1.82 CCn1nccc1NC(=O)CO bd8ae4118d96d126706aad6f091bb496 [0,1,0,0,0,1|1,0,0]=3 148 B12R1.82 CCn1nccc1NC(=O)CS 97a520c4c7bb0cea603a3004c4e58b46 [0,1,0,0,0,1|1,0,0]=3 149 B12R1.82 CCn1nccc1NC(C)C=O 6bd7fb7a9a5b2f61a67c27799fb9acff [0,1,0,0,0,1|1,0,1]=4 150 B12R1.82 CCn1nccc1N[C@H](C)C=O e0931b1f4a9e9e3003a2605de70cf2bb [0,1,0,0,0,1|1,0,1]=4 151 B12R1.82 CCn1nccc1OC(C)C=O 0e7870d89fbb3cc9279a416c077eec60 [0,1,0,0,0,1|1,0,1]=4 152 B12R1.82 CCn1nccc1O[C@H](C)C=O 7d718f6c020e7700a6898c124a2b1bca [0,1,0,0,0,1|1,0,1]=4 153 B12R1.82 CCn1nncc1NC(=O)CF 64cd5fc5b7b2d3526420a78699f3e73c [0,1,0,0,0,1|2,0,0]=4 154 B12R1.82 CCn1nncc1NC(=O)CO e9b33b873cf181eb29774c94df1cf63c [0,1,0,0,0,1|2,0,0]=4 155 B12R1.289 CC(=O)Nc1ccnn1CC#N 98591f7ad61dca88cc041c702b2af4b0 [0,1,0,0,0,1|1,0,1]=4 156 B12R1.289 CC(=O)Nc1ccnn1CCF 6376b82d0c2e6da32215715bf3ce3ff4 [0,1,0,0,0,1|1,0,0]=3 157 B12R1.289 CC(=O)Nc1ccnn1CCO e23ef16525b4d2c8bdbad28e9da55cf2 [0,1,0,0,0,1|1,0,0]=3 158 B12R1.289 CCCn1nccc1NC(=O)C 2113afbfc6a665d29a1150f06a613ed9 [0,1,0,0,0,1|1,0,0]=3 159 B12R1.392 CC(=O)Nc1ccnn1C(C)C ddc811c0ec424648fac5d5728a824d8b [0,1,0,0,0,1|1,0,0]=3 160 B12R1.620 CCn1ncc(c1NC(=O)C)C 914c63e70f41a37820e3041bb57e930c [0,1,0,0,0,1|1,0,0]=3 161 B12R1.279 CC(=O)c1cccc(c1)NCF 6b128f592a9bb6434d70f6a554575e19 [0,1,0,0,0,1|2,0,0]=4 162 B12R1.279 CC(=O)c1cccc(c1)NCO e79d36c8714c519604073a7e9714328d [0,1,0,0,0,1|2,0,0]=4 163 B12R1.279 CC(=O)c1cccc(c1)OCF f42ff2902b0e5863f24cbaf744ccb61d [0,1,0,0,0,1|2,0,0]=4 164 B12R1.279 CC(=O)c1cccc(n1)NCF 85caa74989ccea935136762489c765f1 [0,1,0,0,0,1|2,0,0]=4 165 B12R1.279 CC(=O)c1cccc(n1)NCO abe26ffe84710dd3655dc39d2e1192e8 [0,1,0,0,0,1|2,0,0]=4 166 B12R1.279 CCNc1cc(ccn1)C(=O)C ca873b9a9aa9c710f9954682ec0b352b [0,1,0,0,0,1|2,0,0]=4 167 B12R1.279 CCNc1cccc(c1)C(=O)C 3e2e63d35d5d484da292f2b4ea8d065c [0,1,0,0,0,1|1,0,0]=3 168 B12R1.279 CCNc1cccc(c1)C(=O)N aeed616b57d78051a6a7d43bed32fe9d [0,1,0,0,0,1|2,0,0]=4 169 B12R1.279 CCNc1cccc(c1)C(=O)O 60ed91d60ea3237fabf4a94701e08688 [0,1,0,0,0,1|2,0,0]=4 170 B12R1.279 CCNc1cccc(n1)C(=O)C 5447c2ffc1999bd7cfb0e3722284fa47 [0,1,0,0,0,1|1,0,0]=3 171 B12R1.279 CCNc1cccc(n1)C(=O)N 7170a54bcd701062b5a2be44b588440f [0,1,0,0,0,1|2,0,0]=4 172 B12R1.279 CCNc1cccc(n1)C(=O)O 76b7dd37026af8a2f44ce8cbea2fe7d8 [0,1,0,0,0,1|2,0,0]=4 173 B12R1.279 CCNc1ccnc(c1)C(=O)C 6fd808e4822188e47c9909ef681bfef2 [0,1,0,0,0,1|2,0,0]=4 174 B12R1.279 CCNc1nccc(n1)C(=O)C 0e1251b7d483cde44e75737e3e61fe92 [0,1,0,0,0,1|2,0,0]=4 175 B12R1.279 CCOc1cccc(c1)C(=O)C 318296c0ec02dfbe810a382ac505f5f3 [0,1,0,0,0,1|1,0,0]=3 176 B12R1.279 CCOc1cccc(c1)C(=O)N 78e78dd5cc1adb0e63ceab04724d2f6e [0,1,0,0,0,1|2,0,0]=4 177 B12R1.279 CCOc1cccc(c1)C(=O)O 9fe956bbd42b12e2b3cab7694f3d9e64 [0,1,0,0,0,1|2,0,0]=4 178 B12R1.279 CCOc1cccc(n1)C(=O)N 27452b9f7387544fcbf9eab46bde7937 [0,1,0,0,0,1|2,0,0]=4 179 B12R1.279 CCOc1cccc(n1)C(=O)O e2852e8af7cb55fb66d9f83bf2f138ef [0,1,0,0,0,1|2,0,0]=4 180 B12R1.279 CCOc1cncc(c1)C(=O)C dcf9b10ab7ae79b37e4eefe4edac3edf [0,1,0,0,0,1|2,0,0]=4 181 B12R1.435 CCc1cccc(c1)N(C)C=O ba0e46fef3be2b0db24bfbeb89fc04c4 [0,1,0,0,0,1|2,0,0]=4 182 B12R1.435 CCc1cccc(n1)N(C)C=O c14c1d066a85f3fd747e206d1dcf8b1b [0,1,0,0,0,1|2,0,0]=4 183 B12R1.291 CCNc1ccsc1C(=O)NC d293ec3a61647785bdc73e5d8b21b868 [0,2,0,0,0,0|2,0,0]=4 184 B12R1.291 CCNc1ccsc1C(=O)OC 180b58b8233c464df573f56aa392c660 [0,2,0,0,0,0|2,0,0]=4 185 B12R1.291 CCNc1cscc1C(=O)OC dea888aa4b5854e37acd35b4b26f8213 [0,2,0,0,0,0|2,0,0]=4 186 B12R1.291 CCOc1cc[nH]c1C(=O)OC f5be835484efa01ec9ded71e7c3a0d6c [0,2,0,0,0,0|2,0,0]=4 187 B12R1.291 CCOc1ccsc1C(=O)OC 23d02b9160d3253425ca32bb1711d3b5 [0,2,0,0,0,0|2,0,0]=4 188 B12R1.291 CCOc1cscc1C(=O)OC 3c49f2b30a9537fa08480c6f1fa750cf [0,2,0,0,0,0|2,0,0]=4 189 B12R1.316 CCn1cncc1C(=O)NC#N 0326a243cd43bd3d95aaf454f48c4c59 [0,2,0,0,0,0|1,0,1]=4 190 B12R1.316 CCn1nccc1C(=O)NC#N d5abf4b911234626731ebc77b77f957e [0,2,0,0,0,0|1,0,1]=4 191 B12R1.316 CCn1nccc1C(C)NC=O 66283497c8afe5d7fcf5a2e6970bfe44 [0,2,0,0,0,0|1,0,1]=4 192 B12R1.368 CCN(C)c1ccsc1C(=O)C c6658f118a3b29c02f3461faf876e019 [0,2,0,0,0,0|2,0,0]=4 193 B12R1.368 CCN(C)c1cscc1C(=O)C 5a33eba419ec9d9b64c0c1120ef81bdf [0,2,0,0,0,0|2,0,0]=4 194 B12R1.368 CCN(C)c1sccc1C(=O)C 036ce25e4a9ae0d1879775c590e15f5c [0,2,0,0,0,0|2,0,0]=4 195 B12R1.386 CC(=O)c1ccsc1NCCBr 7e705270653a9368c525e9dcd19a767a [0,2,0,0,0,0|2,0,0]=4 196 B12R1.386 CC(=O)c1ccsc1NCCF 6c372272f0f43ac93fb37f78a3e8ee12 [0,2,0,0,0,0|2,0,0]=4 197 B12R1.386 CC(=O)c1ccsc1NCCI 1471c3027a30cca375a0a334274c0d08 [0,2,0,0,0,0|2,0,0]=4 198 B12R1.386 CC(=O)c1ccsc1NCCO 71bc9eba8b364ee84a0c42aa71f65cf9 [0,2,0,0,0,0|2,0,0]=4 199 B12R1.386 CC(=O)c1ccsc1NCCS a3a97ef39ff510660865709b7fb2c8cc [0,2,0,0,0,0|2,0,0]=4 200 B12R1.386 CC(=O)c1cscc1NCCBr a46301be6ee86155ba7311b35a12ee80 [0,2,0,0,0,0|2,0,0]=4 201 B12R1.386 CC(=O)c1cscc1NCCF a84e2aab611694c3f9d2223251b18b5d [0,2,0,0,0,0|2,0,0]=4 202 B12R1.386 CC(=O)c1cscc1NCCI cc00c73d73d16c6de8af975fcd19f765 [0,2,0,0,0,0|2,0,0]=4 203 B12R1.386 CC(=O)c1cscc1NCCO 884837f0e8015731f4c1a046655ecf8c [0,2,0,0,0,0|2,0,0]=4 204 B12R1.386 CC(=O)c1cscc1NCCS 6011476996deffea7761138cf9d18ba3 [0,2,0,0,0,0|2,0,0]=4 205 B12R1.386 CC(=O)c1occc1NCCO 9281efdb33c785acbc451ee29263d6fd [0,2,0,0,0,0|2,0,0]=4 206 B12R1.386 CC(=O)c1sccc1NCCBr ad3ca9fac8778a4d670f17203dffbbdb [0,2,0,0,0,0|2,0,0]=4 207 B12R1.386 CC(=O)c1sccc1NCCF 2c720777db1be22916d5114bfe1f2b01 [0,2,0,0,0,0|2,0,0]=4 208 B12R1.386 CC(=O)c1sccc1NCCI 4ef2d5236562c1e0e30949eb37a34f68 [0,2,0,0,0,0|2,0,0]=4 209 B12R1.386 CC(=O)c1sccc1NCCO 5dfb85062c6c855a7b0c6076123574e7 [0,2,0,0,0,0|2,0,0]=4 210 B12R1.386 CC(=O)c1sccc1NCCS 03fdf3af4c18e25d98b45053398a1af3 [0,2,0,0,0,0|2,0,0]=4 211 B12R1.386 CC(=O)c1sccc1OCCF a7e15d9e3c2f79104788ed06ff2cfeac [0,2,0,0,0,0|2,0,0]=4 212 B12R1.386 CC(=O)c1sccc1OCCS 86b79bd1bfc8993ed89e453ebb5eb333 [0,2,0,0,0,0|2,0,0]=4 213 B12R1.386 CCCNc1ccsc1C(=O)C b2c3941224c16366c13afd88ffd57339 [0,2,0,0,0,0|2,0,0]=4 214 B12R1.386 CCCNc1cscc1C(=O)C 0b21123fc929902bb011e4d3ff0d668e [0,2,0,0,0,0|2,0,0]=4 215 B12R1.386 CCCNc1sccc1C(=O)C 7b95f4f2f7b716e524fed705a90621e8 [0,2,0,0,0,0|2,0,0]=4 216 B12R1.386 CCCOc1ccsc1C(=O)C e419a04ebe871f9d72b485f8a0f02bcd [0,2,0,0,0,0|2,0,0]=4 217 B12R1.386 COCNc1ccsc1C(=O)C b30962ce7c2fcb14926c2914efd4b699 [0,2,0,0,0,0|2,0,0]=4 218 B12R1.386 COCNc1sccc1C(=O)C 05f0b04703992c19e29975b4e5e46e46 [0,2,0,0,0,0|2,0,0]=4 219 B12R1.386 COCOc1ccsc1C(=O)C e849a70425d25702ac8c6a128042c1fb [0,2,0,0,0,0|2,0,0]=4 220 B12R1.386 CSCNc1ccsc1C(=O)C 17913c2ebdfc19266e70e9ef7e8e87e6 [0,2,0,0,0,0|2,0,0]=4 221 B12R1.386 CSCNc1sccc1C(=O)C 325d221d4dafae478de41fbc44a330b0 [0,2,0,0,0,0|2,0,0]=4 222 B12R1.386 CSCOc1ccsc1C(=O)C c25756b02847ade308b09036013aa05a [0,2,0,0,0,0|2,0,0]=4 223 B10R1.10 CCNc1cc(ccn1)C ead6e66bc426bd20a03df23491bb9b54 [0,0,1,1,0,0|2,0,0]=4 224 B10R1.10 CCNc1cc[nH]c(=O)n1 0a6dc2f14b0bb3b0c497c7ffbd955247 [0,0,1,1,0,0|2,0,0]=4 225 B10R1.10 CCNc1cccc(c1)Br 3559ffa0b462d1bd714cf3ca993ed95e [0,0,1,1,0,0|1,0,1]=4 226 B10R1.10 CCNc1cccc(c1)C 7e90094bdff0d2ffec0927834a6a088a [0,0,1,1,0,0|1,0,0]=3 227 B10R1.10 CCNc1cccc(c1)Cl e86c6a0dbdc5ec7691435dfb2bf0caac [0,0,1,1,0,0|1,0,1]=4 228 B10R1.10 CCNc1cccc(c1)F fb10d26ad355d9adf069631a680226b5 [0,0,1,1,0,0|1,0,1]=4 229 B10R1.10 CCNc1cccc(c1)I 9531fa5d8f78367f3126484c4e782fa9 [0,0,1,1,0,0|1,0,1]=4 230 B10R1.10 CCNc1cccc(c1)S a44d310b6eb926e6cc396b05b3cff23a [0,0,1,1,0,0|0,1,1]=4 231 B10R1.10 CCNc1cccc(n1)Br bdf3c98d55e3185cc2a435a8a4fbf30b [0,0,1,1,0,0|2,0,0]=4 232 B10R1.10 CCNc1cccc(n1)C a6d43cd595c5eb0b178fe2416f91b131 [0,0,1,1,0,0|1,0,0]=3 233 B10R1.10 CCNc1cccc(n1)Cl 5a7a857b9ff459dab8398e6aa9d75650 [0,0,1,1,0,0|2,0,0]=4 234 B10R1.10 CCNc1cccc(n1)F 5b24b54d716d9dced5c7bc536933db9c [0,0,1,1,0,0|2,0,0]=4 235 B10R1.10 CCNc1cccc(n1)I 5bd2f7aa302878c630f540d50c1902a7 [0,0,1,1,0,0|2,0,0]=4 236 B10R1.10 CCNc1ccnc(c1)C 58ebbaae6a202dff8555d7dd291a0bc7 [0,0,1,1,0,0|2,0,0]=4 237 B10R1.10 CCNc1ccnc(n1)C d168f3526a84c167c0cca101bf3886ab [0,0,1,1,0,0|2,0,0]=4 238 B10R1.10 CCNc1cncc(c1)C 3532d78dae514f8ef5b485b2e6860ebe [0,0,1,1,0,0|2,0,0]=4 239 B10R1.10 CCNc1cncc(n1)C c6553f13dc26f5036471e9acc89e9094 [0,0,1,1,0,0|2,0,0]=4 240 B10R1.10 CCNc1nccc(=O)[nH]1 6d85a47f7605b912a336f23a28650da0 [0,0,1,1,0,0|2,0,0]=4 241 B10R1.10 CCNc1nccc(n1)C c29d6d41a98fdca8c64782e06e12e5ad [0,0,1,1,0,0|2,0,0]=4 242 B10R1.10 CCOc1cccc(=O)[nH]1 c94839f401af37d9f4dfdf393db93386 [0,0,1,1,0,0|2,0,0]=4 243 B10R1.10 CCOc1cccc(c1)C c484b8098bb494764323b4d807c3d871 [0,0,1,1,0,0|2,0,0]=4 244 B10R1.10 CCOc1cccc(n1)C 8886c898bef83c4de5a441ddd5f1e8cd [0,0,1,1,0,0|2,0,0]=4 245 B10R1.10 Cc1cccc(c1)NCF f51cf3458817b85dd255a9237b903e6d [0,0,1,1,0,0|2,0,0]=4 246 B10R1.10 Cc1cccc(c1)NCO eb61e002278030a37368dc2bd095ceec [0,0,1,1,0,0|2,0,0]=4 247 B10R1.10 Cc1cccc(n1)NCF 1e3f9809b31f3fc5fab147106f55298b [0,0,1,1,0,0|2,0,0]=4 248 B10R1.10 Cc1cccc(n1)NCO 14b645ff6dbf83910f77237887d6e3d4 [0,0,1,1,0,0|2,0,0]=4 249 B10R1.16 CCNCc1ccc(o1)C 16b5b202870b0088f6ce61a25808ad7d [0,0,1,1,0,0|0,0,2]=4 250 B10R1.16 CCNCc1ccc(s1)C 633920b9a1ab976873e39a09724124a0 [0,0,1,1,0,0|0,1,1]=4 251 B10R1.4 CCNc1c[nH]cnc1=O 92fe3a14d8150c5096d77f1d75bfd4e2 [0,0,1,1,0,0|2,0,0]=4 252 B10R1.4 CCNc1ccc[nH]c1=S 67a5b3b55c36deab6cc15e67fc040e75 [0,0,1,1,0,0|1,1,0]=4 253 B10R1.4 CCNc1ccccc1Cl 2dfb513d252d373232906f5030075d40 [0,0,1,1,0,0|1,0,1]=4 254 B10R1.4 CCNc1ccccc1F 7ab2c72548cf5934972f59a05bcf3b98 [0,0,1,1,0,0|1,0,1]=4 255 B10R1.4 CCNc1ccccc1I a15e1e777d9cb3c3c67c713eae1f152f [0,0,1,1,0,0|1,0,1]=4 256 B10R1.4 CCNc1cccnc1Br a2373bd4dbeea9e96613175b1fa389be [0,0,1,1,0,0|2,0,0]=4 257 B10R1.4 CCNc1cccnc1C aa29ce1aae1cb0173cce32ed6de53439 [0,0,1,1,0,0|1,0,0]=3 258 B10R1.4 CCNc1cccnc1Cl cabaa73226660203e29d27ac34157732 [0,0,1,1,0,0|2,0,0]=4 259 B10R1.4 CCNc1cccnc1F 1c26bd9832ea7353d5986c5b2a82ebeb [0,0,1,1,0,0|2,0,0]=4 260 B10R1.4 CCNc1cccnc1I aa60c46f7fe874be857c1ace71f86b31 [0,0,1,1,0,0|2,0,0]=4 261 B10R1.4 CCNc1ccn[nH]c1=O 37f33b523198f2bf79b96c0187276259 [0,0,1,1,0,0|2,0,0]=4 262 B10R1.4 CCNc1ccncc1C a4036471d4d817efbd65f0f570537bae [0,0,1,1,0,0|2,0,0]=4 263 B10R1.4 CCNc1ccnnc1C b89b8af7958b7cd2d083023eee6d381c [0,0,1,1,0,0|2,0,0]=4 264 B10R1.4 CCNc1cnccc1C 4e74c1f11dcd52a7c20dfdd6b5662790 [0,0,1,1,0,0|2,0,0]=4 265 B10R1.4 CCNc1cncnc1C c780de3350d8a4ea3afb5887d12adc9b [0,0,1,1,0,0|2,0,0]=4 266 B10R1.4 CCNc1ncccc1C a7fd36b27f175706adc74e2aac7526d2 [0,0,1,1,0,0|2,0,0]=4 267 B10R1.4 CCNc1nccnc1C 3a642966a1abe913b5ad08a3a9152c71 [0,0,1,1,0,0|2,0,0]=4 268 B10R1.4 CCOc1ccccc1C dc9ee1b6b8a241cf6f51757c9fedb385 [0,0,1,1,0,0|2,0,0]=4 269 B10R1.4 CCOc1cccnc1C 0260c4935677d055d800178e37d974b6 [0,0,1,1,0,0|2,0,0]=4 270 B10R1.4 CCOc1cccoc1=O 7ff4b51ee01af505d2964258091f5c59 [0,0,1,1,0,0|2,0,0]=4 271 B10R1.4 Cc1ncccc1NCF 811f0102399d1828b22fe489d7a22ddb [0,0,1,1,0,0|2,0,0]=4 272 B10R1.4 Cc1ncccc1NCO 2163da6c3951ac44c1be417e09664d52 [0,0,1,1,0,0|2,0,0]=4 273 B12R2.1362 CC(=O)N1CCn2c1ccn2 a1b761aed5ff1f067e5c34a339ce9074 [0,0,0,1,0,1|1,0,0]=3 274 B12R2.315 O=CN1CCCn2c1ccn2 b07ef9b644339bd7c6b26c9099636188 [0,1,0,1,0,0|2,0,0]=4 275 B12R1.75 CC(=O)Nc1ccccc1CBr f4be17e173403bc79c7519660c99e8f1 [0,0,0,0,0,2|2,0,0]=4 276 B12R1.75 CC(=O)Nc1ccccc1CO b89646b9773d96392fa1223dcb029965 [0,0,0,0,0,2|2,0,0]=4 277 B12R1.75 CC(=O)Nc1ccccc1CS bed3f5860b5c74a89ab9fd435ab53256 [0,0,0,0,0,2|2,0,0]=4 278 B12R1.75 CC(=O)Nc1cccnc1CCl 594df1ca20e30d6fd09add01ebe427c9 [0,0,0,0,0,2|2,0,0]=4 279 B12R1.75 CC(=O)Nc1cccnc1CO e68eb72d303aa40b748fc26626584acc [0,0,0,0,0,2|2,0,0]=4 280 B12R1.75 CC(=O)Nc1cnccc1CO c9c84b8b46f97491170c6daaca3c20d7 [0,0,0,0,0,2|2,0,0]=4 281 B12R1.75 CC(=O)Nc1ncccc1CCl f3f9e277f0bb47f50e2493cca33a6912 [0,0,0,0,0,2|2,0,0]=4 282 B12R1.75 CC(=O)Nc1ncccc1CO 2c8c8d92402de2014ef13b68f099aafb [0,0,0,0,0,2|2,0,0]=4 283 B12R1.75 CCc1ccccc1NC(=O)C ab6d65e3c5537181bc992814e45b99ca [0,0,0,0,0,2|1,0,0]=3 284 B12R1.75 CCc1cccnc1NC(=O)C 5ccd1bf58f9b882d77c50aec55d4911a [0,0,0,0,0,2|1,0,0]=3 285 B12R1.75 CCc1ncccc1NC(=O)C db64c5f0d2a0a4e9f29bef143a21de04 [0,0,0,0,0,2|1,0,0]=3 286 B12R1.75 CCc1nccnc1NC(=O)C aca6bb077ee21512de5bfdea49becf9f [0,0,0,0,0,2|2,0,0]=4 287 B12R1.75 COc1ccccc1NC(=O)C 99183408a901862594abd2438e5d4ddd [0,0,0,0,0,2|2,0,0]=4 288 B12R1.75 COc1cccnc1NC(=O)C 7bb307565036758aca5788b4766577f3 [0,0,0,0,0,2|2,0,0]=4 289 B12R1.75 COc1ccncc1NC(=O)C 8ca24f8e614c196f055cf3a0e562d8f4 [0,0,0,0,0,2|2,0,0]=4 290 B12R1.75 COc1ncccc1NC(=O)C b95ce8608e7584ac0e928bcb0dafd19f [0,0,0,0,0,2|2,0,0]=4 291 B12R1.75 CSc1ccccc1NC(=O)C 963646d8f23d85ca9001073ee0217f48 [0,0,0,0,0,2|2,0,0]=4 292 B12R1.75 CSc1cccnc1NC(=O)C cc756f9c41be633c33187cccb11de533 [0,0,0,0,0,2|2,0,0]=4 293 B12R1.81 C=C(C)CNc1ccnn1CC 044655e5a8eae4a65aecb752df07dae2 [0,0,0,0,0,2|2,0,0]=4 294 B12R1.81 C=C(C)CNc1cncn1CC 09a454d3e8ca054da9db1d1a809f163c [0,0,0,0,0,2|2,0,0]=4 295 B12R1.81 C=C(C)CNc1nccn1CC 1bf824f98625b8e36bc432e83d9c33e8 [0,0,0,0,0,2|2,0,0]=4 296 B12R1.81 C=C(C)COc1ccnn1CC d761f8f554391c96ce9415d4c0bc200e [0,0,0,0,0,2|2,0,0]=4 297 B12R1.81 CCc1ccsc1NCC(=O)C e0ea8902e10f4ab47ada68d1a7dc1a07 [0,0,0,0,0,2|2,0,0]=4 298 B12R1.81 CCn1ccnc1CNC(=O)C 6d04808b82cb6a07ccd2431f827ae2fe [0,0,0,0,0,2|1,0,0]=3 299 B12R1.81 CCn1ccnc1NCC(=O)C d0a66954eb86c7b6a35940a5bf642ff6 [0,0,0,0,0,2|1,0,0]=3 300 B12R1.81 CCn1ccnc1NCC(=O)N e37ca8eef9a74ecd20b276205a2a4024 [0,0,0,0,0,2|2,0,0]=4 301 B12R1.81 CCn1ccnc1NCC(=O)O 128e024b0c42c172f8b53b7605b6e096 [0,0,0,0,0,2|2,0,0]=4 302 B12R1.81 CCn1cncc1NCC(=O)N 4671bb06c83fc5565e82a28bb8448038 [0,0,0,0,0,2|2,0,0]=4 303 B12R1.81 CCn1cncc1NCC(=O)O b1e458dcd8f75914c62e5d7566f14a3b [0,0,0,0,0,2|2,0,0]=4 304 B12R1.81 CCn1nccc1NCC(=O)C f5d5c563307b80fd237db3c6c927bd12 [0,0,0,0,0,2|1,0,0]=3 305 B12R1.81 CCn1nccc1NCC(=O)N 00b7ba5b40e722d1a8bae5bfb4940ca6 [0,0,0,0,0,2|2,0,0]=4 306 B12R1.81 CCn1nccc1NCC(=O)O 476c7a2ae8d327c1d7b97db1ae72ea3c [0,0,0,0,0,2|2,0,0]=4 307 B12R1.81 CCn1nccc1OCC(=O)N e2fedfb4241826e66d63a0668efb5c19 [0,0,0,0,0,2|2,0,0]=4 308 B12R1.81 CCn1nccc1OCC(=O)O 660336ad4af54050571ed475d07eaa12 [0,0,0,0,0,2|2,0,0]=4 309 B12R1.438 CC(=O)Nc1cccc(c1)CBr d0b7cf7874f3fd97421750cfec39e009 [0,0,0,0,0,2|2,0,0]=4 310 B12R1.438 CC(=O)Nc1cccc(c1)CF 97a230bc3824ea648865f73b5dfc68ce [0,0,0,0,0,2|2,0,0]=4 311 B12R1.438 CC(=O)Nc1cccc(c1)CO 0ad40df74383cfea037b41c01bcadc75 [0,0,0,0,0,2|2,0,0]=4 312 B12R1.438 CC(=O)Nc1cccc(n1)CO ed73f6204033183496c9dfd8c842f420 [0,0,0,0,0,2|2,0,0]=4 313 B12R1.438 CCc1cc(ccn1)NC(=O)C 605fec427da88aad8757194b01e47559 [0,0,0,0,0,2|2,0,0]=4 314 B12R1.438 CCc1cccc(c1)NC(=O)C 15904dc358d5d298ca31f04f6e829788 [0,0,0,0,0,2|1,0,0]=3 315 B12R1.438 CCc1cccc(n1)NC(=O)C 42e310931a813822c503c6c3246cd367 [0,0,0,0,0,2|1,0,0]=3 316 B12R1.438 CCc1ccnc(c1)NC(=O)C e31dcb12ecd55c648151d8b7541a3fb2 [0,0,0,0,0,2|2,0,0]=4 317 B12R1.438 CCc1cncc(c1)NC(=O)C 82bd55cdf14108766e5351bcc44ff319 [0,0,0,0,0,2|2,0,0]=4 318 B12R1.438 CCc1cncc(n1)NC(=O)C 59c29523e384a6eafeca5f92647705ad [0,0,0,0,0,2|2,0,0]=4 319 B12R1.438 COc1cccc(c1)NC(=O)C b2a978843f09ac312d631a800d1ded40 [0,0,0,0,0,2|2,0,0]=4 320 B12R1.438 COc1cccc(n1)NC(=O)C a356bb5273bc495429fc19dddcf1229e [0,0,0,0,0,2|2,0,0]=4 321 B12R1.438 CSc1cccc(c1)NC(=O)C 200dd94b08e0817c1b39f2dfef8bc40b [0,0,0,0,0,2|2,0,0]=4