0 B10R1.15 CCN(C)c1ccccc1 9cc6568b1f30abe04427bdea858da30e [0,0,0,0,0,0|4,0,0]=4 1 B10R1.15 CCN(C)c1cccnc1 04b21f569d4c75e23135eca19e8dfd7f [0,0,0,0,0,0|3,0,0]=3 2 B10R1.15 CCN(C)c1ccnnc1 1ac91ab60a635fb5329291a771fa3c6f [0,0,0,0,0,0|4,0,0]=4 3 B10R1.15 CCN(C)c1cnccn1 a8ffa0df115721fdc6dd2269b8097d32 [0,0,0,0,0,0|4,0,0]=4 4 B10R1.15 CN(C=O)c1cccnc1 c200b85f739a703bfa35217d599e46e7 [0,0,0,0,0,0|4,0,0]=4 5 B10R1.15 CN(CF)c1cccnc1 242d56eee61bf5da227aba2cc8ffb8a2 [0,0,0,0,0,0|4,0,0]=4 6 B10R1.15 CN(CO)c1cccnc1 021ae75de63d9271d48b9d5b4bd35a1c [0,0,0,0,0,0|4,0,0]=4 7 B9R1.8 CCNc1ccccc1 33257e4a9e1d882742dfd4cfddb78cda [1,0,0,0,0,0|3,0,0]=4 8 B9R1.8 CCNc1cccnc1 e16c06cad87ecb5a3a4a58b6d8537631 [1,0,0,0,0,0|2,0,0]=3 9 B9R1.8 CCNc1cccnn1 8ce46420a68f085572db040256d5d2b7 [1,0,0,0,0,0|3,0,0]=4 10 B9R1.8 CCNc1ccnnc1 84df08ea46526da8091efc8e7dc98bc3 [1,0,0,0,0,0|3,0,0]=4 11 B9R1.8 CCNc1cnccn1 692286fa82997f2fb685e4d3ad5b2443 [1,0,0,0,0,0|3,0,0]=4 12 B9R1.8 CCNc1cncnc1 d22064ed1cc1956224a6568ef26d5099 [1,0,0,0,0,0|3,0,0]=4 13 B9R1.8 CCOc1cccnc1 efa582b018c37c3ab155936515b551ea [1,0,0,0,0,0|2,0,0]=3 14 B9R1.8 CCOc1ccnnc1 495bf99ef1353fb62f88bfe5786129d6 [1,0,0,0,0,0|3,0,0]=4 15 B9R1.8 CCOc1cnccn1 aa9d1d61b4f8dce5da42fe3ddcc6df85 [1,0,0,0,0,0|3,0,0]=4 16 B9R1.8 CCOc1cncnc1 8629022d8ea6564de249e44f3cfd1da9 [1,0,0,0,0,0|3,0,0]=4 17 B9R1.8 FCNc1cccnc1 cd4b988ac9022e9beb52f2fd6e6d3819 [1,0,0,0,0,0|3,0,0]=4 18 B9R1.8 FCOc1cccnc1 613341899f57b52454964b4cd6fd2e82 [1,0,0,0,0,0|3,0,0]=4 19 B9R1.8 O=CNc1cccnc1 355201612949cfa8d6342c6af1c523a5 [1,0,0,0,0,0|3,0,0]=4 20 B9R1.8 OCNc1cccnc1 68add967e09ec2eee2b71061a3bb94f5 [1,0,0,0,0,0|3,0,0]=4 21 B11R1.12 CCN(C=O)c1ccccc1 da6bb0dc53f1d66135131d66e3bbe341 [0,1,0,0,0,0|3,0,0]=4 22 B11R1.12 CCN(C=O)c1cccnc1 480f2644a238345f8cb34be867d4aca8 [0,1,0,0,0,0|2,0,0]=3 23 B11R1.12 CCN(C=O)c1cccnn1 bc5719b16cc7ecd03429b0711c320eb4 [0,1,0,0,0,0|3,0,0]=4 24 B11R1.12 CCN(C=O)c1ccnnc1 fe3d76655349ae24f92703f860ee65b0 [0,1,0,0,0,0|3,0,0]=4 25 B11R1.12 CCN(C=O)c1cnccn1 2106275e2d269f3c272150672947c57e [0,1,0,0,0,0|3,0,0]=4 26 B11R1.12 CCN(C=O)c1cncnc1 cd46d9bff73ae0e41def8003b3301e1e [0,1,0,0,0,0|3,0,0]=4 27 B11R1.12 CCN(CC)c1cccnc1 52601769ca231e644678fff005cbe4b5 [0,1,0,0,0,0|3,0,0]=4 28 B11R1.12 CCN(CF)c1cccnc1 0312fe3f0e237cbe2838982475b5dabc [0,1,0,0,0,0|3,0,0]=4 29 B11R1.12 CCN(CO)c1cccnc1 f2903e21d817aefbbc8f3b43452e9503 [0,1,0,0,0,0|2,0,1]=4 30 B11R1.16 CC(NCF)c1cccnc1 06f634f0617dadb8cf037734a8a97de2 [0,1,0,0,0,0|2,0,1]=4 31 B11R1.16 CC(NCO)c1cccnc1 862c30acc11398ef9d9eed839c208db8 [0,1,0,0,0,0|2,0,1]=4 32 B11R1.16 CC(OCF)c1ccccc1 a5a4510633c1500ac034b294490d7f65 [0,1,0,0,0,0|2,0,1]=4 33 B11R1.16 CC(OCF)c1cccnc1 38385d8a804ea3beb03ef81ac1897631 [0,1,0,0,0,0|1,0,1]=3 34 B11R1.16 CC(OCF)c1cccnn1 64ac9fb3bf5386ac880364342f37e543 [0,1,0,0,0,0|2,0,1]=4 35 B11R1.16 CC(OCF)c1cnccn1 edaa78b62734f3603bd18d85f98d58c9 [0,1,0,0,0,0|2,0,1]=4 36 B11R1.16 CC(OCF)c1cncnc1 e7955bbada7d31c4fe415a4f864b365e [0,1,0,0,0,0|2,0,1]=4 37 B11R1.16 CCCN(C)c1cccnc1 28cb54c9c808eaf7ba52852976110e8a [0,1,0,0,0,0|3,0,0]=4 38 B11R1.16 CCNC(C)c1cccnc1 c47433cc5cae1ddbdb53f6ca3e6bfaaf [0,1,0,0,0,0|2,0,1]=4 39 B11R1.16 CCN[C@@H](C)c1cccnc1 330151f91eef2953e097f24cd8fe5255 [0,1,0,0,0,0|2,0,1]=4 40 B11R1.16 CCN[C@H](C)c1cccnc1 7cb1b35ff9549b4a705f07ae86659632 [0,1,0,0,0,0|2,0,1]=4 41 B11R1.16 CCOC(C)c1ccccc1 37108e833ff536d25c550cb5b37c873d [0,1,0,0,0,0|2,0,1]=4 42 B11R1.16 CCOC(C)c1cccnc1 9c9e8ee26a948f6734fe8bca4ac259d1 [0,1,0,0,0,0|1,0,1]=3 43 B11R1.16 CCOC(C)c1cccnn1 b45ba464b06ee6bdc1c736a50ffd8553 [0,1,0,0,0,0|2,0,1]=4 44 B11R1.16 CCOC(C)c1cnccn1 c43729a6fd74b4ab221ba3a8754f47ca [0,1,0,0,0,0|2,0,1]=4 45 B11R1.16 CCO[C@@H](C)c1ccccc1 e4f11a13dd3f609e6f25ac3a3b969fe2 [0,1,0,0,0,0|2,0,1]=4 46 B11R1.16 CCO[C@@H](C)c1cccnc1 4f79e80bc80f924c1d9263e4c7a80e48 [0,1,0,0,0,0|1,0,1]=3 47 B11R1.16 CCO[C@@H](C)c1cnccn1 8a6e3a914bc27167363a585a0aa27251 [0,1,0,0,0,0|2,0,1]=4 48 B11R1.16 CCO[C@H](C)c1ccccc1 54694971b3853f962e687b61e7c698c1 [0,1,0,0,0,0|2,0,1]=4 49 B11R1.16 CCO[C@H](C)c1cccnc1 cd637b20fb4bf525c6de41c7953f4069 [0,1,0,0,0,0|1,0,1]=3 50 B11R1.16 CCO[C@H](C)c1cccnn1 5e113335bfa1da5c764374cee09167f3 [0,1,0,0,0,0|2,0,1]=4 51 B11R1.16 CCO[C@H](C)c1cnccn1 5d3b5896b879729f1ffbe4449af13432 [0,1,0,0,0,0|2,0,1]=4 52 B11R1.16 CN(CCF)c1cccnc1 0c417327f73403e17ed488303ca6b0c4 [0,1,0,0,0,0|3,0,0]=4 53 B11R1.16 CN(CCO)c1cccnc1 47cb1f96fe61f8c7bd838cc6c9d317ed [0,1,0,0,0,0|3,0,0]=4 54 B11R1.16 CN(CCS)c1cccnc1 5bb9078bc645c6a66ca8b72acfaf15de [0,1,0,0,0,0|3,0,0]=4 55 B11R1.16 COCN(C)c1ccccc1 6231e4bc9ebe3bdb02fd15faeb34634f [0,1,0,0,0,0|3,0,0]=4 56 B11R1.16 COCN(C)c1cccnc1 eee1a900430cbd2ead764847823e4249 [0,1,0,0,0,0|2,0,0]=3 57 B11R1.16 COCN(C)c1cccnn1 755489683a693b6a18f20e0a9ebb9a58 [0,1,0,0,0,0|3,0,0]=4 58 B11R1.16 COCN(C)c1ccnnc1 66385b4435ffe50578820ae25466c284 [0,1,0,0,0,0|3,0,0]=4 59 B11R1.16 COCN(C)c1cnccn1 a76b0fd1dcf67b9f677e7bf23a60c424 [0,1,0,0,0,0|3,0,0]=4 60 B11R1.16 COCN(C)c1cncnc1 01d278c0238323e21d04220622ef8fcb [0,1,0,0,0,0|3,0,0]=4 61 B11R1.16 CSCN(C)c1cccnc1 85210a97edc62a2031929b5c7394c57b [0,1,0,0,0,0|2,1,0]=4 62 B11R1.16 C[C@@H](NCF)c1cccnc1 661209de32fd81ce54914e1bd942009a [0,1,0,0,0,0|2,0,1]=4 63 B11R1.16 C[C@@H](NCO)c1cccnc1 cf5dbaaa37b8cb4e2f16350a55683027 [0,1,0,0,0,0|2,0,1]=4 64 B11R1.16 C[C@@H](OCF)c1ccccc1 f6dc1405e5744871891f84657f997fd4 [0,1,0,0,0,0|2,0,1]=4 65 B11R1.16 C[C@@H](OCF)c1cccnc1 700f73ac95c9eff915753055610d6829 [0,1,0,0,0,0|1,0,1]=3 66 B11R1.16 C[C@@H](OCF)c1cccnn1 3bd1e0f6c80525dfebefd4823c4e201f [0,1,0,0,0,0|2,0,1]=4 67 B11R1.16 C[C@@H](OCF)c1cnccn1 4ec1a495205071e6cae2957a86acc99e [0,1,0,0,0,0|2,0,1]=4 68 B11R1.16 C[C@H](NCF)c1cccnc1 66a2dcad38cbf0d519df63526d229e46 [0,1,0,0,0,0|2,0,1]=4 69 B11R1.16 C[C@H](NCO)c1cccnc1 476af247167559627f6aa699dfa54495 [0,1,0,0,0,0|2,0,1]=4 70 B11R1.16 C[C@H](OCF)c1ccccc1 0bdd092ad3daed19f52c193b52481cfc [0,1,0,0,0,0|2,0,1]=4 71 B11R1.16 C[C@H](OCF)c1cccnc1 1642ade6f48ada445386d02dbd40b795 [0,1,0,0,0,0|1,0,1]=3 72 B11R1.16 C[C@H](OCF)c1cnccn1 3a4066349d3d9540ab63cf5616e22030 [0,1,0,0,0,0|2,0,1]=4 73 B11R1.16 N#CNC(=O)c1ccccc1 f968919af35f591f70d462dc16d787fc [0,1,0,0,0,0|2,0,1]=4 74 B11R1.16 N#CNC(=O)c1cccnc1 c2b82d345410e46672bb9c640f03af28 [0,1,0,0,0,0|1,0,1]=3 75 B11R1.16 N#CNC(=O)c1cccnn1 c680851cc264c92361c2612036d90a3a [0,1,0,0,0,0|2,0,1]=4 76 B11R1.16 N#CNC(=O)c1cnccn1 e7129f0275cee37c93e095f79c6d2157 [0,1,0,0,0,0|2,0,1]=4 77 B11R1.16 N#CNC(=O)c1cncnc1 7ecb82dc72b7d4d73c96f376bab2cd4c [0,1,0,0,0,0|2,0,1]=4 78 B11R1.22 CCN(C)c1ccc(nc1)Br b6445fecc0c7fd88b71c31623fcd006b [0,1,0,0,0,0|3,0,0]=4 79 B11R1.22 CCN(C)c1ccc(nc1)Cl 98116e0be953dec717bcac000adb9db0 [0,1,0,0,0,0|3,0,0]=4 80 B11R1.22 CCN(C)c1ccc(nc1)F 5c2f83595d7ddc2f36ec5baf4ef48449 [0,1,0,0,0,0|3,0,0]=4 81 B11R1.23 CCN(C)c1cncc(c1)Br 4e8a54f314758cec6db1d44208066fb3 [0,1,0,0,0,0|3,0,0]=4 82 B11R1.23 CCN(C)c1cncc(c1)C c586f1c7bab338ac78be772791134673 [0,1,0,0,0,0|3,0,0]=4 83 B11R1.23 CCN(C)c1cncc(c1)F 9ab7e09f4c927efd8d017c75c729608f [0,1,0,0,0,0|3,0,0]=4 84 B11R1.36 CC(=O)N(C)c1cccnc1 99d370e4887dccbc66fa5e316a815456 [0,1,0,0,0,0|3,0,0]=4 85 B11R1.222 CCN(C)c1cccnc1Br 2a9bac7653109ad7cb22a369e9423ffb [0,1,0,0,0,0|3,0,0]=4 86 B11R1.222 CCN(C)c1cccnc1C 0ddb97fac4b005bf5151e63b04814336 [0,1,0,0,0,0|3,0,0]=4 87 B11R1.222 CCN(C)c1cccnc1Cl 583cec184083a5a308a72f647a6e90c8 [0,1,0,0,0,0|3,0,0]=4 88 B11R1.222 CCN(C)c1cccnc1F 60886e25b7b16c0395a71018cc5328fb [0,1,0,0,0,0|3,0,0]=4 89 B11R1.222 CCN(C)c1cnccc1C 15650ab426688eaaa83948de77c329f3 [0,1,0,0,0,0|3,0,0]=4 90 B11R1.222 CCN(C)c1cnccc1Cl 7d79648c65c6505b388546f3ddc49f07 [0,1,0,0,0,0|3,0,0]=4 91 B11R1.222 CCN(C)c1cnccc1F fe6028fb3ed3222dd3d425a51ab84bcb [0,1,0,0,0,0|3,0,0]=4 92 B11R1.40 C#CC(=O)Nc1cccnc1 fede9ede802accf01a2dd7068bdd2f92 [0,0,0,0,0,1|1,0,1]=3 93 B11R1.40 C#CC(=O)Nc1cccnn1 9ad4de692c3f2b3f3bb452dfdfae824a [0,0,0,0,0,1|2,0,1]=4 94 B11R1.40 C#CC(=O)Nc1ccnnc1 e97a3fedff3d556d961a4ad79afe5784 [0,0,0,0,0,1|2,0,1]=4 95 B11R1.40 C#CC(=O)Nc1cnccn1 4b36f726c232f1d4ac2163b96818a611 [0,0,0,0,0,1|2,0,1]=4 96 B11R1.40 C=CC(=O)Nc1ccccc1 5f69a60f76bf8d4845a783c3048b2563 [0,0,0,0,0,1|2,0,1]=4 97 B11R1.40 C=CC(=O)Nc1cccnc1 de5c772a8cda94a68da43551d49c0fce [0,0,0,0,0,1|1,0,1]=3 98 B11R1.40 C=CC(=O)Nc1cccnn1 b0c331c7674c74b9a074ca9d88d52bd4 [0,0,0,0,0,1|2,0,1]=4 99 B11R1.40 C=CC(=O)Nc1ccnnc1 bb65c517049238b0258f3b8f2eeaa12d [0,0,0,0,0,1|2,0,1]=4 100 B11R1.40 C=CC(=O)Nc1cnccn1 0750844e1718f30f6356a67d8d5f5dcf [0,0,0,0,0,1|2,0,1]=4 101 B11R1.40 C=CC(=O)Nc1cncnc1 9b4072e0da3d142f1e2f8a7c131946f9 [0,0,0,0,0,1|2,0,1]=4 102 B11R1.40 CCC(=O)Nc1ccccn1 5f642c62afae0a49ab875733e55fde1b [0,0,0,0,0,1|3,0,0]=4 103 B11R1.40 CCC(=O)Nc1cccnc1 3f3732eaee579e7903ad30638bf6459b [0,0,0,0,0,1|1,0,0]=2 104 B11R1.40 CCC(=O)Nc1cccnn1 591c7e40d773c7240b2e6c26eda21683 [0,0,0,0,0,1|2,0,0]=3 105 B11R1.40 CCC(=O)Nc1cnccn1 e2ac897815fa11a06d867bf7943d000f [0,0,0,0,0,1|2,0,0]=3 106 B11R1.40 CCC(C)Nc1cccnc1 a0e745f4d44915557790daf72381f523 [0,0,0,0,0,1|2,0,1]=4 107 B11R1.40 CCC(C)Oc1cccnc1 ea8ea3a935f9f1da0dc64162c872e010 [0,0,0,0,0,1|2,0,1]=4 108 B11R1.40 CCN(C)Cc1cccnc1 69e9bc72fe902e2c097b1bc797c43254 [0,0,0,0,0,1|3,0,0]=4 109 B11R1.40 CC[C@@H](C)Nc1cccnc1 d5c354fec9aa4824593a6aa370b31f97 [0,0,0,0,0,1|2,0,1]=4 110 B11R1.40 CC[C@H](C)Nc1cccnc1 a188aeb369243191dc243d4fb98ce075 [0,0,0,0,0,1|2,0,1]=4 111 B11R1.40 O=C(CF)Nc1cccnc1 5e2dc67f59a0ee35b818f3c738a2672a [0,0,0,0,0,1|2,0,0]=3 112 B11R1.40 O=C(CF)Nc1cccnn1 956ee4b8acdca6d1b3b267a9d3c5501e [0,0,0,0,0,1|3,0,0]=4 113 B11R1.40 O=C(CF)Nc1cnccn1 73cbdadef8b5f740edf1a794b99099cb [0,0,0,0,0,1|3,0,0]=4 114 B11R1.40 O=C(CO)Nc1cccnc1 c1618f12da4bc6c07033d2147d5e05a1 [0,0,0,0,0,1|2,0,0]=3 115 B11R1.40 O=C(CO)Nc1cccnn1 e2ead558693a8d15dba073147810db17 [0,0,0,0,0,1|3,0,0]=4 116 B11R1.40 O=C(CO)Nc1cnccn1 48cd2c8639e0b4dc6a2e8e8ea59a849d [0,0,0,0,0,1|3,0,0]=4 117 B11R1.40 O=C(CS)Nc1cccnn1 41f91dff9cbbc670e95242818cb16a37 [0,0,0,0,0,1|3,0,0]=4 118 B11R1.40 O=C(CS)Nc1cnccn1 6ba52b3c3766ee9a7edfbfe35be30e2b [0,0,0,0,0,1|3,0,0]=4 119 B11R1.40 O=CC(=O)Nc1ccccc1 d69489ae088f523aa236921a313e92a5 [0,0,0,0,0,1|3,0,0]=4 120 B11R1.40 O=CC(=O)Nc1cccnc1 4483235651c46310384ecdfb83cf0459 [0,0,0,0,0,1|2,0,0]=3 121 B11R1.40 O=CC(=O)Nc1cccnn1 b30b17eef6f779e83d53fbee2dd15d57 [0,0,0,0,0,1|3,0,0]=4 122 B11R1.40 O=CC(=O)Nc1ccnnc1 478bc45f9e8b5f84f0b4c7f1d8dd1618 [0,0,0,0,0,1|3,0,0]=4 123 B11R1.40 O=CC(=O)Nc1cnccn1 1b4db28b2217e8524dd00b0444a0d0b1 [0,0,0,0,0,1|3,0,0]=4 124 B10R0.83 C=CCOC=C(F)C(=O)OC 80815fd4b2db0422d13ef566c3ca8771 [0,1,1,0,0,0|2,0,0]=4 125 B10R0.83 C=CCOCC(=C)C(=O)OC c25487749e2240a5a91f37f2c1940025 [0,1,1,0,0,0|1,0,1]=4 126 B10R0.74 C=CCOC/C=C/C(=O)OC 432dcd1557658b8f12403efbf072adba [0,1,1,0,0,0|1,0,1]=4 127 B10R1.1 CCNc1ccc(nc1)Br 59c1c575d4cf738922707e4ac33945e2 [1,1,0,0,0,0|2,0,0]=4 128 B10R1.1 CCNc1ccc(nc1)C c6a305032b477973c3c3fbf0a9e4e681 [1,1,0,0,0,0|2,0,0]=4 129 B10R1.1 CCNc1ccc(nc1)Cl a3742bd50e5ddc0bb8d9bcc0351dba6f [1,1,0,0,0,0|2,0,0]=4 130 B10R1.1 CCNc1ccc(nc1)F 1c8d0a2e7c3ebc9b796eced21d4d67da [1,1,0,0,0,0|2,0,0]=4 131 B10R1.1 CCNc1ccc(nc1)I b055045d2de39aafb4b6d6710f7ae0e8 [1,1,0,0,0,0|2,0,0]=4 132 B10R1.1 CCOc1ccc(nc1)Br bac9395e09cd94d673b47afe64f445de [1,1,0,0,0,0|2,0,0]=4 133 B10R1.1 CCOc1ccc(nc1)C a681f7f0cc1b45047bb455631f3beced [1,1,0,0,0,0|2,0,0]=4 134 B10R1.1 CCOc1ccc(nc1)Cl 1b78e4b95bbcd168fec166181ff52b61 [1,1,0,0,0,0|2,0,0]=4 135 B10R1.1 CCOc1ccc(nc1)F a0e05acc1f44f1bf919de4da94e9dd90 [1,1,0,0,0,0|2,0,0]=4 136 B10R1.1 CCOc1ccc(nc1)I 131dd3afd2712c4ddfbf28645dd95597 [1,1,0,0,0,0|2,0,0]=4 137 B10R1.4 CCNc1cccnc1Br a2373bd4dbeea9e96613175b1fa389be [1,1,0,0,0,0|2,0,0]=4 138 B10R1.4 CCNc1cccnc1C aa29ce1aae1cb0173cce32ed6de53439 [1,1,0,0,0,0|2,0,0]=4 139 B10R1.4 CCNc1cccnc1Cl cabaa73226660203e29d27ac34157732 [1,1,0,0,0,0|2,0,0]=4 140 B10R1.4 CCNc1cccnc1F 1c26bd9832ea7353d5986c5b2a82ebeb [1,1,0,0,0,0|2,0,0]=4 141 B10R1.4 CCNc1cccnc1I aa60c46f7fe874be857c1ace71f86b31 [1,1,0,0,0,0|2,0,0]=4 142 B10R1.4 CCNc1cnccc1Br 16ccd75ae6484f9482a40238b5f84138 [1,1,0,0,0,0|2,0,0]=4 143 B10R1.4 CCNc1cnccc1C 4e74c1f11dcd52a7c20dfdd6b5662790 [1,1,0,0,0,0|2,0,0]=4 144 B10R1.4 CCNc1cnccc1Cl fce9e815cea92983ee0d8ac5fb395bc8 [1,1,0,0,0,0|2,0,0]=4 145 B10R1.4 CCNc1cnccc1F efcbd8573a43bcdf8091057e7ebdf59e [1,1,0,0,0,0|2,0,0]=4 146 B10R1.4 CCNc1cnccc1I 11de2c92a556b377d01b5ed33d779892 [1,1,0,0,0,0|2,0,0]=4 147 B10R1.4 CCNc1cnccc1S b06232fe6249f36d78efb086b14dd641 [1,1,0,0,0,0|2,0,0]=4 148 B10R1.4 CCOc1cccnc1Br 08b45b24e31de1110a9d86520664a434 [1,1,0,0,0,0|2,0,0]=4 149 B10R1.4 CCOc1cccnc1C 0260c4935677d055d800178e37d974b6 [1,1,0,0,0,0|2,0,0]=4 150 B10R1.4 CCOc1cccnc1Cl 684709ad9eeb4a1f4f9e4a19760d89be [1,1,0,0,0,0|2,0,0]=4 151 B10R1.4 CCOc1cccnc1F eb46cca158e1b62d818714a01a5af0f3 [1,1,0,0,0,0|2,0,0]=4 152 B10R1.4 CCOc1cccnc1I 792b0a09e935918385422ce79b947b91 [1,1,0,0,0,0|2,0,0]=4 153 B10R1.4 CCOc1cnccc1Br cc65e9d894dca176f1e04b368966ac9b [1,1,0,0,0,0|2,0,0]=4 154 B10R1.4 CCOc1cnccc1C 50b788e4b20e4d60835564cb398dcb8c [1,1,0,0,0,0|2,0,0]=4 155 B10R1.4 CCOc1cnccc1Cl 9252fbdc2aaa496a5df46d8e859e8bec [1,1,0,0,0,0|2,0,0]=4 156 B10R1.4 CCOc1cnccc1F 48497666769166ce90aacce840caeccc [1,1,0,0,0,0|2,0,0]=4 157 B10R1.4 CCOc1cnccc1I b3ec03f0e98ec8d0e34044a0a69fa976 [1,1,0,0,0,0|2,0,0]=4 158 B10R1.10 CCNc1cncc(c1)Br 32c3d20c2a967ffd8b369baff96df78b [1,1,0,0,0,0|2,0,0]=4 159 B10R1.10 CCNc1cncc(c1)C 3532d78dae514f8ef5b485b2e6860ebe [1,1,0,0,0,0|2,0,0]=4 160 B10R1.10 CCNc1cncc(c1)Cl 291ad30b57031986784f4e159245ef5b [1,1,0,0,0,0|2,0,0]=4 161 B10R1.10 CCNc1cncc(c1)F eb3b221df4c2b29925e5d3320a410797 [1,1,0,0,0,0|2,0,0]=4 162 B10R1.10 CCNc1cncc(c1)I e218a1afe6a6aca6d71c039b21806c27 [1,1,0,0,0,0|2,0,0]=4 163 B10R1.10 CCOc1cncc(c1)C 9fa5233d4ea9ce3b8225bbc243f1f651 [1,1,0,0,0,0|2,0,0]=4 164 B10R1.10 CCOc1cncc(c1)Cl a02433d9cea7b28adfbfbce32981ccfd [1,1,0,0,0,0|2,0,0]=4 165 B10R1.10 CCOc1cncc(c1)F 31714c319aae0ab59ee10e9b01cc1a2a [1,1,0,0,0,0|2,0,0]=4 166 B10R1.10 CCOc1cncc(c1)I 50cf1cd1a59fe9ac9a9438b380797254 [1,1,0,0,0,0|2,0,0]=4 167 B10R1.17 BrCCNc1cccnc1 2d13be8c88ebb7269676c6abc03a383d [1,1,0,0,0,0|2,0,0]=4 168 B10R1.17 CCCNc1cccnc1 54f0ece250e78709faf1eb2fd4dc869b [1,1,0,0,0,0|1,0,1]=4 169 B10R1.17 CCCOc1cccnc1 a97f517fc793a805aaab3ac7468bbd26 [1,1,0,0,0,0|1,0,1]=4 170 B10R1.17 CCNCc1cccnc1 ef83bfb13d2744bc293d6f1d68f67b86 [1,1,0,0,0,0|1,0,1]=4 171 B10R1.17 CCOCc1ccccc1 551a24ad73c54bc42b4e27015fdb411f [1,1,0,0,0,0|1,0,1]=4 172 B10R1.17 CCOCc1cccnc1 5f09f824e7a9d5177841898d80553992 [1,1,0,0,0,0|0,0,1]=3 173 B10R1.17 CCOCc1cccnn1 a18ecdaafc84bd92138525fb2f4ad399 [1,1,0,0,0,0|1,0,1]=4 174 B10R1.17 CCOCc1ccnnc1 eb3f0189714571d275860574016314ed [1,1,0,0,0,0|1,0,1]=4 175 B10R1.17 CCOCc1cnccn1 7fb271123056acc990d03d3767398eec [1,1,0,0,0,0|1,0,1]=4 176 B10R1.17 CCOCc1cncnc1 c69748ab8bdd1b31da65e1fc4248cd6d [1,1,0,0,0,0|1,0,1]=4 177 B10R1.17 COCNc1ccccc1 6c62c6b48b6ce69fe29d4b52e03d5674 [1,1,0,0,0,0|1,0,1]=4 178 B10R1.17 COCNc1cccnc1 06eb298a8599044156c09f99ea626504 [1,1,0,0,0,0|0,0,1]=3 179 B10R1.17 COCNc1cccnn1 81506436050659ef73117567fa6791d8 [1,1,0,0,0,0|1,0,1]=4 180 B10R1.17 COCNc1ccnnc1 45f0a2cd8410106cda79b7a687ce8831 [1,1,0,0,0,0|1,0,1]=4 181 B10R1.17 COCNc1cnccn1 e1b86a322d65d71968ad3b0b53c14350 [1,1,0,0,0,0|1,0,1]=4 182 B10R1.17 COCNc1cncnc1 bc5d34e0d8f01ead88e91841539995d3 [1,1,0,0,0,0|1,0,1]=4 183 B10R1.17 COCOc1cccnc1 d9b37fb8d6b9f459b8606485db596791 [1,1,0,0,0,0|0,0,1]=3 184 B10R1.17 COCOc1ccnnc1 5746e5661eb8bdd9f7470ef224e7a8c7 [1,1,0,0,0,0|1,0,1]=4 185 B10R1.17 COCOc1cnccn1 91692ef16c539c2f51ce9f654d4e167a [1,1,0,0,0,0|1,0,1]=4 186 B10R1.17 COCOc1cncnc1 c8928e72aff7270067cebc8e3780eb48 [1,1,0,0,0,0|1,0,1]=4 187 B10R1.17 CSCNc1cccnc1 e9d3d08db46089fcfbd01833b3252a03 [1,1,0,0,0,0|0,1,1]=4 188 B10R1.17 CSCOc1cccnc1 ba5df6f707d429b8683f03b4c7f7b4a6 [1,1,0,0,0,0|0,1,1]=4 189 B10R1.17 FCCNc1cccnc1 948881de1f8cebdb00d3305a89cccf21 [1,1,0,0,0,0|2,0,0]=4 190 B10R1.17 FCCOc1cccnc1 7a88b89adbe5c70a007fa3204bf675ab [1,1,0,0,0,0|2,0,0]=4 191 B10R1.17 FCNCc1cccnc1 303a68c3e72902076a5285aac654492a [1,1,0,0,0,0|1,0,1]=4 192 B10R1.17 FCOCc1ccccc1 602c85a0828834d1798ab6d91c5aa92b [1,1,0,0,0,0|1,0,1]=4 193 B10R1.17 FCOCc1cccnc1 d58467b55ec7fcb175961d4ef6210edb [1,1,0,0,0,0|0,0,1]=3 194 B10R1.17 FCOCc1cccnn1 be211298f0d8017761d0379df43db85c [1,1,0,0,0,0|1,0,1]=4 195 B10R1.17 FCOCc1ccnnc1 4a1d0d881ff603951714ac4c6a9ce218 [1,1,0,0,0,0|1,0,1]=4 196 B10R1.17 FCOCc1cnccn1 a11466f76fde0f26dadf75b6a45d47be [1,1,0,0,0,0|1,0,1]=4 197 B10R1.17 FCOCc1cncnc1 d848736714f42309e73dcca953822687 [1,1,0,0,0,0|1,0,1]=4 198 B10R1.17 ICCNc1cccnc1 bd2873fb4e8705ac6b2391510b61aca0 [1,1,0,0,0,0|2,0,0]=4 199 B10R1.17 OCCNc1cccnc1 528072d5adbbf320415662e70c05db36 [1,1,0,0,0,0|2,0,0]=4 200 B10R1.17 OCNCc1cccnc1 86bd6343ace558a3752eaa3d1a554844 [1,1,0,0,0,0|1,0,1]=4 201 B10R1.17 SCCNc1cccnc1 d7661b93dffeb3e5de5eb3930ee71345 [1,1,0,0,0,0|2,0,0]=4 202 B10R1.17 SCCOc1cccnc1 84b759d60311f3e5695c1f1ffc5005e0 [1,1,0,0,0,0|2,0,0]=4 203 B10R1.18 CC(=O)Nc1cccnc1 3ff4f8eaa45b955bdc1d480af270b630 [1,1,0,0,0,0|2,0,0]=4 204 B10R1.18 CC(C)Nc1cccnc1 b32b013363863cea153240b96e97c19f [1,1,0,0,0,0|2,0,0]=4 205 B10R1.18 CC(C)Oc1cccnc1 2d5fbf8b6573bcaaa6ad1437daf348fa [1,1,0,0,0,0|2,0,0]=4 206 B12R1.32 C#CCC(=O)Nc1cccnc1 34bddbb757871047ad822c1397badc95 [0,1,0,0,0,1|1,0,1]=4 207 B12R1.32 C/C=C/C(=O)Nc1ccccc1 b9c2b2bab8539dcad71e0f1bcc0d5a7b [0,1,0,0,0,1|2,0,0]=4 208 B12R1.32 C/C=C/C(=O)Nc1cccnc1 8cf296947079f8325abe699420205b81 [0,1,0,0,0,1|1,0,0]=3 209 B12R1.32 C/C=C/C(=O)Nc1cccnn1 ad9f5bad42c33a7bfd40ba2cd3efafb4 [0,1,0,0,0,1|2,0,0]=4 210 B12R1.32 C/C=C/C(=O)Nc1ccnnc1 f5f77ea0f91ccfec4d951c3999252429 [0,1,0,0,0,1|2,0,0]=4 211 B12R1.32 C/C=C/C(=O)Nc1cnccn1 668dcfc8ccc6b572965b4db6571c160c [0,1,0,0,0,1|2,0,0]=4 212 B12R1.32 C/C=C/C(=O)Nc1cncnc1 7afd2e94c1cfa4724f37c4910c5c16e2 [0,1,0,0,0,1|2,0,0]=4 213 B12R1.32 C=CCC(=O)Nc1cccnc1 4f4606ae5fe67f00794e20833fdecf8f [0,1,0,0,0,1|1,0,1]=4 214 B12R1.32 CC#CC(=O)Nc1cccnc1 93165a8795d8cfffad74427dec01bf55 [0,1,0,0,0,1|1,0,0]=3 215 B12R1.32 CC#CC(=O)Nc1cccnn1 bf78f48ec298aeb1b537b63ac5c1d058 [0,1,0,0,0,1|2,0,0]=4 216 B12R1.32 CC#CC(=O)Nc1ccnnc1 96b165aaae114d124b5c10aff16d184a [0,1,0,0,0,1|2,0,0]=4 217 B12R1.32 CC#CC(=O)Nc1cnccn1 0e4d24d0ce5144de5559fde2bc3eb67b [0,1,0,0,0,1|2,0,0]=4 218 B12R1.32 CCCC(=O)Nc1cccnc1 565344d4bc011d959128a96e7e1c2253 [0,1,0,0,0,1|1,0,0]=3 219 B12R1.32 CCCC(=O)Nc1cccnn1 8541b5403eebfa64b99d2e7720e62051 [0,1,0,0,0,1|2,0,0]=4 220 B12R1.32 CCCC(=O)Nc1cnccn1 13c8e9a41da05f49e09855d8ac2fe2c2 [0,1,0,0,0,1|2,0,0]=4 221 B12R1.32 COCC(=O)Nc1ccccn1 f9e6fd9fc57ce0d213e8a8a98f19e960 [0,1,0,0,0,1|2,0,0]=4 222 B12R1.32 COCC(=O)Nc1cccnc1 e27fb687fb4d23b787105034a2444ccc [0,1,0,0,0,1|0,0,0]=2 223 B12R1.32 COCC(=O)Nc1cccnn1 0862870bff8404ca150710e27c042239 [0,1,0,0,0,1|1,0,0]=3 224 B12R1.32 COCC(=O)Nc1cnccn1 53a08f309f148348d2c2c0b882b82312 [0,1,0,0,0,1|1,0,0]=3 225 B12R1.32 COCC(C)Nc1cccnc1 b812752e64d8737319fd6f3db07b6bc1 [0,1,0,0,0,1|1,0,1]=4 226 B12R1.32 COCC(C)Oc1cccnc1 e8657e7fea231a3cbb0976e5d4a5b3d8 [0,1,0,0,0,1|1,0,1]=4 227 B12R1.32 COCN(C)Cc1cccnc1 f50236404b504213455088d1b436a4c1 [0,1,0,0,0,1|2,0,0]=4 228 B12R1.32 COC[C@@H](C)Nc1cccnc1 516207c81acf2dd1d4472d7b45572390 [0,1,0,0,0,1|1,0,1]=4 229 B12R1.32 COC[C@H](C)Nc1cccnc1 0cec544e296a1ace9f6fb9794ec8ae21 [0,1,0,0,0,1|1,0,1]=4 230 B12R1.32 CSCC(=O)Nc1cnccn1 7b1376f487a32fddb5bd193e1f0131ee [0,1,0,0,0,1|1,1,0]=4 231 B12R1.32 N#CNC(=O)Cc1cccnc1 6c7df58fa8a83d8acc74a228c27c0e6b [0,1,0,0,0,1|1,0,1]=4 232 B12R1.32 NOCC(=O)Nc1ccccc1 c5d51d2b3f28976c6bd3c98cfe9f6a86 [0,1,0,0,0,1|2,0,0]=4 233 B12R1.32 NOCC(=O)Nc1cccnc1 78afae84b30aabff037f46dfac5317d6 [0,1,0,0,0,1|1,0,0]=3 234 B12R1.32 NOCC(=O)Nc1cccnn1 f68d0b2369162bbf42af2b423378f1ac [0,1,0,0,0,1|2,0,0]=4 235 B12R1.32 NOCC(=O)Nc1ccnnc1 b1a5f2fe0f1918158bb097aec4c00e16 [0,1,0,0,0,1|2,0,0]=4 236 B12R1.32 NOCC(=O)Nc1cnccn1 d200a5d776eebdb38574a2a96fb6f5a5 [0,1,0,0,0,1|2,0,0]=4 237 B12R1.32 O=C(/C=C/Br)Nc1cccnc1 e0ce8cbc919421bb72f7ea940bf56271 [0,1,0,0,0,1|1,0,1]=4 238 B12R1.32 O=C(/C=C/Cl)Nc1cccnc1 96da7c048845407b8e9fb3cfc8e5cbac [0,1,0,0,0,1|1,0,1]=4 239 B12R1.32 O=C(/C=C/I)Nc1cccnc1 0445bf6d14eff8a6c498774cad109552 [0,1,0,0,0,1|1,0,1]=4 240 B12R1.32 O=C(/C=C\Br)Nc1cccnc1 4801603e5da7c495f54ac2f3938251f8 [0,1,0,0,0,1|1,0,1]=4 241 B12R1.32 O=C(/C=C\Cl)Nc1cccnc1 298fb29fde194fe0e6f85b13e040d25e [0,1,0,0,0,1|1,0,1]=4 242 B12R1.32 O=C(/C=C\I)Nc1cccnc1 67a27e04e59e183ccb6ad4c1364858c5 [0,1,0,0,0,1|1,0,1]=4 243 B12R1.32 O=C(C#CBr)Nc1cccnc1 0c3a6ce63a0ec136779ce322a5ee0044 [0,1,0,0,0,1|1,0,1]=4 244 B12R1.32 O=C(C=CBr)Nc1cccnc1 d865e25dedb2cfca6fb2b9f6e7c2f030 [0,1,0,0,0,1|1,0,1]=4 245 B12R1.32 O=C(C=CI)Nc1cccnc1 15ab4fabccc35191d29238b8766692c4 [0,1,0,0,0,1|1,0,1]=4 246 B12R1.32 O=C(CCF)Nc1cccnc1 27cc6ce3cafa0f7021060e23d63d84c4 [0,1,0,0,0,1|1,0,0]=3 247 B12R1.32 O=C(CCF)Nc1cccnn1 34ecd52c2c2e7b766b554f3f790ea727 [0,1,0,0,0,1|2,0,0]=4 248 B12R1.32 O=C(CCF)Nc1cnccn1 019ddd72cafd514c8084cad5d31c536c [0,1,0,0,0,1|2,0,0]=4 249 B12R1.32 O=C(CCO)Nc1cccnc1 99259424f2fd7eed4113ee6e569a0bc6 [0,1,0,0,0,1|1,0,0]=3 250 B12R1.32 O=C(CCO)Nc1cccnn1 c4c9bd40390dcdbe9e07eaa24ce2c671 [0,1,0,0,0,1|2,0,0]=4 251 B12R1.32 O=C(CCO)Nc1cnccn1 63bdb317a8ec1c565d4c2cc6da3c40b9 [0,1,0,0,0,1|2,0,0]=4 252 B12R1.32 O=C(CCS)Nc1cccnc1 bad7c1c02fed6e2253543d520b84fc48 [0,1,0,0,0,1|1,0,0]=3 253 B12R1.32 O=C(CCS)Nc1cccnn1 ed237127c38068954ab7ac884dd988e5 [0,1,0,0,0,1|2,0,0]=4 254 B12R1.32 O=C(CCS)Nc1cnccn1 536326e4472d18df205d789f2904f594 [0,1,0,0,0,1|2,0,0]=4 255 B12R1.32 O=CCC(=O)Nc1cccnc1 da8b3f7b32a94f8779511d1f00bfad8a [0,1,0,0,0,1|1,0,1]=4 256 B12R1.34 C#CC(=O)N(C)c1cccnc1 905e654eecb8f2c20b59156d55176927 [0,1,0,0,0,1|1,0,1]=4 257 B12R1.34 C=CC(=O)N(C)c1cccnc1 50a29cc4cfb53019dc0a17e0bd9b12f0 [0,1,0,0,0,1|1,0,1]=4 258 B12R1.34 CCC(=O)N(C)c1cccnc1 793f92686f1ccbd2172f68787ec14c1e [0,1,0,0,0,1|1,0,0]=3 259 B12R1.34 CCC(=O)N(C)c1cccnn1 69c11e9ef7ae9dc49c185ffd4020851f [0,1,0,0,0,1|2,0,0]=4 260 B12R1.34 CCC(=O)N(C)c1ccnnc1 a16723231bae8dae82f93fb736e00878 [0,1,0,0,0,1|2,0,0]=4 261 B12R1.34 CCC(=O)N(C)c1cnccn1 8b3beab323d2a27ba7a16854d780421a [0,1,0,0,0,1|2,0,0]=4 262 B12R1.34 CN(C(=O)C=O)c1cccnc1 0fc841ea1208ab8546d47cf23e0b4fc6 [0,1,0,0,0,1|2,0,0]=4 263 B12R1.34 CN(C(=O)CF)c1cccnc1 24380b1505b71e443be173d6ccf530d4 [0,1,0,0,0,1|2,0,0]=4 264 B12R1.34 CN(C(=O)CO)c1cccnc1 9f96821c40aba7b582bd14ed2ac62368 [0,1,0,0,0,1|2,0,0]=4 265 B12R1.34 CN(C(=O)CS)c1cccnc1 1143dee9068930712579dd59c757677e [0,1,0,0,0,1|2,0,0]=4 266 B12R1.43 C=C(Br)C(=O)Nc1cccnc1 7703550a52540abf80908b775ec3d804 [0,1,0,0,0,1|1,0,1]=4 267 B12R1.43 C=C(C)C(=O)Nc1cccnc1 7ddd3f9f95ca11bda147a3d3eae678d2 [0,1,0,0,0,1|1,0,0]=3 268 B12R1.43 C=C(C)C(=O)Nc1cccnn1 fcae44a2146e38311aa392919478e83e [0,1,0,0,0,1|2,0,0]=4 269 B12R1.43 C=C(C)C(=O)Nc1cnccn1 cedb6d20af8aab6b4c238dbbd13ba1e6 [0,1,0,0,0,1|2,0,0]=4 270 B12R1.43 C=C(F)C(=O)Nc1cccnc1 654c8aa2035026b72d0c4da71b3cd2c4 [0,1,0,0,0,1|1,0,1]=4 271 B12R1.43 CC(=O)C(=O)Nc1cccnc1 086af3aba20ae365b3dec827ae002166 [0,1,0,0,0,1|1,0,0]=3 272 B12R1.43 CC(=O)C(=O)Nc1cccnn1 03d73d47e03de6389b5660c0e914c68b [0,1,0,0,0,1|2,0,0]=4 273 B12R1.43 CC(=O)C(=O)Nc1ccnnc1 ea0ce4872a0280f863f757952ba7597a [0,1,0,0,0,1|2,0,0]=4 274 B12R1.43 CC(=O)C(=O)Nc1cnccn1 4079872281b1e0923b9bee3a5245755c [0,1,0,0,0,1|2,0,0]=4 275 B12R1.43 CC(F)C(=O)Nc1cccnc1 8e06904db02f28f8551a4c62cdb0567e [0,1,0,0,0,1|1,0,0]=3 276 B12R1.43 CC(O)C(=O)Nc1cccnc1 a6d8461b9d4871e9e14a4c125c563fab [0,1,0,0,0,1|1,0,0]=3 277 B12R1.43 CC(O)C(=O)Nc1cccnn1 9d973a0ccb62a093bf7e2efcc145a7fd [0,1,0,0,0,1|2,0,0]=4 278 B12R1.43 CC(O)C(=O)Nc1ccnnc1 16732e308900cbf980136c71509d43c5 [0,1,0,0,0,1|2,0,0]=4 279 B12R1.43 CC(O)C(=O)Nc1cnccn1 09a3eee9ee9d3b4cb2b03366f1f096de [0,1,0,0,0,1|2,0,0]=4 280 B12R1.43 CC(S)C(=O)Nc1cccnc1 b6b76bef58796b77c7a1a29b3613d6b6 [0,1,0,0,0,1|1,0,0]=3 281 B12R1.43 CC(S)C(=O)Nc1cccnn1 b07737929b7447ba07a55504efbe2421 [0,1,0,0,0,1|2,0,0]=4 282 B12R1.43 CC(S)C(=O)Nc1ccnnc1 99808a2120c699b34559fa3d2b6c8a0c [0,1,0,0,0,1|2,0,0]=4 283 B12R1.43 CC(S)C(=O)Nc1cnccn1 e644539c37d4f44b3ee0fb05d0b3b662 [0,1,0,0,0,1|2,0,0]=4 284 B12R1.43 C[C@@H](F)C(=O)Nc1cccnc1 b1353115539c393aa2db2fafcea74748 [0,1,0,0,0,1|1,0,0]=3 285 B12R1.43 C[C@@H](O)C(=O)Nc1cccnc1 1f46b38a6f9fc93718ab3b927f346130 [0,1,0,0,0,1|1,0,0]=3 286 B12R1.43 C[C@@H](O)C(=O)Nc1cccnn1 b6fb2ba99fce7adf17b291fccd43651e [0,1,0,0,0,1|2,0,0]=4 287 B12R1.43 C[C@@H](O)C(=O)Nc1ccnnc1 c6d57670365a7f3e6b206e2ee10f2131 [0,1,0,0,0,1|2,0,0]=4 288 B12R1.43 C[C@@H](O)C(=O)Nc1cnccn1 90687336be88fd338cea7d708b491a0a [0,1,0,0,0,1|2,0,0]=4 289 B12R1.43 C[C@H](F)C(=O)Nc1cccnc1 83b362882ee5612e2ec945e60b0e5b9c [0,1,0,0,0,1|1,0,0]=3 290 B12R1.43 C[C@H](O)C(=O)Nc1cccnc1 ec61428d6808a30af6e5a1bbccc688ed [0,1,0,0,0,1|1,0,0]=3 291 B12R1.43 C[C@H](O)C(=O)Nc1cccnn1 0796fe9ad9bc463d54d976b23ecff82d [0,1,0,0,0,1|2,0,0]=4 292 B12R1.43 C[C@H](O)C(=O)Nc1ccnnc1 983965256937dfb8a1a6b99941fae0db [0,1,0,0,0,1|2,0,0]=4 293 B12R1.43 C[C@H](O)C(=O)Nc1cnccn1 b4c16ec85d2d2e678257ff853913be21 [0,1,0,0,0,1|2,0,0]=4 294 B12R1.43 NC(=O)C(=O)Nc1cccnc1 511412fcdd7fe0c2e939ebfd9abf8912 [0,1,0,0,0,1|2,0,0]=4 295 B12R1.43 O=C(Nc1cccnc1)C(F)F 4099328f97a505d292d466595e33e940 [0,1,0,0,0,1|2,0,0]=4 296 B12R1.43 O=C(Nc1cccnc1)C(O)O 129b065edb6d07fc3a55f4fc062e7027 [0,1,0,0,0,1|2,0,0]=4 297 B12R1.49 C#CC(=O)Nc1ccc(nc1)Br c1cee76fd0e0bfe851587cd82c5e7b02 [0,1,0,0,0,1|1,0,1]=4 298 B12R1.49 C#CC(=O)Nc1ccc(nc1)C 599d76f450d46d65781207806d059b06 [0,1,0,0,0,1|1,0,1]=4 299 B12R1.49 C#CC(=O)Nc1ccc(nc1)F f0a2fb033df32a4c86f07382874c1c52 [0,1,0,0,0,1|1,0,1]=4 300 B12R1.49 C#CC(=O)Nc1ccc(nc1)I 2a2a39ded432df8ff41e629a3abd248a [0,1,0,0,0,1|1,0,1]=4 301 B12R1.49 C=CC(=O)Nc1ccc(nc1)Br 19801e1cb3d6c3fe99a654661669c7b5 [0,1,0,0,0,1|1,0,1]=4 302 B12R1.49 C=CC(=O)Nc1ccc(nc1)C 90bfb13435b068138f97d3f010060e93 [0,1,0,0,0,1|1,0,1]=4 303 B12R1.49 C=CC(=O)Nc1ccc(nc1)Cl fc62e99066907d70195fbb34955ce055 [0,1,0,0,0,1|1,0,1]=4 304 B12R1.49 C=CC(=O)Nc1ccc(nc1)F b94edd90deecf0c2418e9f51bd74e681 [0,1,0,0,0,1|1,0,1]=4 305 B12R1.49 C=CC(=O)Nc1ccc(nc1)I b6ae38c2f2f712429e8920ec69b151ca [0,1,0,0,0,1|1,0,1]=4 306 B12R1.49 CCC(=O)Nc1ccc(cc1)C 79f85c340b8d9f58b49d7b6f9a8dfc11 [0,1,0,0,0,1|2,0,0]=4 307 B12R1.49 CCC(=O)Nc1ccc(cc1)F 83296be78013d22bde288706294cc3c2 [0,1,0,0,0,1|2,0,0]=4 308 B12R1.49 CCC(=O)Nc1ccc(cc1)I ea4449478b305bcdf4993b64150ff83b [0,1,0,0,0,1|2,0,0]=4 309 B12R1.49 CCC(=O)Nc1ccc(cc1)S 16412742e86774c316b42ab9bc2f75dc [0,1,0,0,0,1|2,0,0]=4 310 B12R1.49 CCC(=O)Nc1ccc(nn1)C 715029b66e5fd47f4e31f1f81f440202 [0,1,0,0,0,1|2,0,0]=4 311 B12R1.49 CCC(=O)Nc1ccc(nn1)F 3228fea2e7638f98414bd053b2224145 [0,1,0,0,0,1|2,0,0]=4 312 B12R1.49 CCC(=O)Nc1ccc(nn1)I f174f593fc6a76dc7f491aac33ca0a55 [0,1,0,0,0,1|2,0,0]=4 313 B12R1.49 CCC(=O)Nc1ccc(nn1)O 4b3ca7adc639e07af6b17551b84f019a [0,1,0,0,0,1|2,0,0]=4 314 B12R1.49 CCC(=O)Nc1cnc(cn1)C e3c1001098ee8f2f716ee76291152d7b [0,1,0,0,0,1|2,0,0]=4 315 B12R1.49 CCC(=O)Nc1cnc(cn1)I 8e012ff3dbfdce35f1c2ef5f675989ec [0,1,0,0,0,1|2,0,0]=4 316 B12R1.49 Cc1ccc(cn1)NC(=O)C=O d6dab25b1ddc7ca376f8d7c9ab2d6faf [0,1,0,0,0,1|2,0,0]=4 317 B12R1.49 O=CC(=O)Nc1ccc(nc1)Br 2c31ba8f8b38ab1f44931a0c5e82d295 [0,1,0,0,0,1|2,0,0]=4 318 B12R1.49 O=CC(=O)Nc1ccc(nc1)Cl 9a1cd135029dc7fc42cbe46728509311 [0,1,0,0,0,1|2,0,0]=4 319 B12R1.49 O=CC(=O)Nc1ccc(nc1)F 0b4d3682f7a3fafe5611319dd5d0db53 [0,1,0,0,0,1|2,0,0]=4 320 B12R1.49 O=CC(=O)Nc1ccc(nc1)I b1e4f60d12e15a35193cf8a5de891f73 [0,1,0,0,0,1|2,0,0]=4 321 B12R1.50 C#CC(=O)Nc1cncc(c1)C 84161633718497b6294347c3e894865c [0,1,0,0,0,1|1,0,1]=4 322 B12R1.50 C#CC(=O)Nc1cncc(c1)F c43337a33d850acba17f7ac6d53eb61a [0,1,0,0,0,1|1,0,1]=4 323 B12R1.50 C#CC(=O)Nc1cncc(c1)I c6af6b412509fc061090dc51e11fa6e8 [0,1,0,0,0,1|1,0,1]=4 324 B12R1.50 C#CC(=O)Nc1cncc(c1)O cfc86de3ee8b7e726f537b1790ecf613 [0,1,0,0,0,1|1,0,1]=4 325 B12R1.50 C=CC(=O)Nc1cncc(c1)C cef7e0cbec57b695e756589ace7e7b84 [0,1,0,0,0,1|1,0,1]=4 326 B12R1.50 C=CC(=O)Nc1cncc(c1)Cl b08df0a360e140332247581318054568 [0,1,0,0,0,1|1,0,1]=4 327 B12R1.50 C=CC(=O)Nc1cncc(c1)F 213873e67e8b397360d18c091710ab7d [0,1,0,0,0,1|1,0,1]=4 328 B12R1.50 C=CC(=O)Nc1cncc(c1)I 6cfc58f6110d368e1102788f9baab91e [0,1,0,0,0,1|1,0,1]=4 329 B12R1.50 C=CC(=O)Nc1cncc(c1)O 1e48f53a94200b101059d07e1b520c9f [0,1,0,0,0,1|1,0,1]=4 330 B12R1.50 CCC(=O)Nc1cc(cnn1)C c10c8228623316863276abcdd7ec6d34 [0,1,0,0,0,1|2,0,0]=4 331 B12R1.50 CCC(=O)Nc1cccc(c1)C 2737599ddde5d8177973ef2c3a29d8a7 [0,1,0,0,0,1|2,0,0]=4 332 B12R1.50 CCC(=O)Nc1cccc(c1)F b1eed650df5e4ef8132194c2d238c576 [0,1,0,0,0,1|2,0,0]=4 333 B12R1.50 CCC(=O)Nc1cccc(c1)I 1adeed8de106dd6458bcd0d4c0edd210 [0,1,0,0,0,1|2,0,0]=4 334 B12R1.50 CCC(=O)Nc1cncc(c1)C 21e21d64112d09411195a515e811a408 [0,1,0,0,0,1|1,0,0]=3 335 B12R1.50 CCC(=O)Nc1cncc(c1)F 69803880a3613863f28494a1cb8e0638 [0,1,0,0,0,1|1,0,0]=3 336 B12R1.50 CCC(=O)Nc1cncc(n1)Br e3c7593429314881aa66da251761472b [0,1,0,0,0,1|2,0,0]=4 337 B12R1.50 CCC(=O)Nc1cncc(n1)C 92df13d3bc8b3a22440b91db6744f9bc [0,1,0,0,0,1|2,0,0]=4 338 B12R1.50 CCC(=O)Nc1cncc(n1)Cl 5ab9ace91b41e1a383912233b9cc73f9 [0,1,0,0,0,1|2,0,0]=4 339 B12R1.50 CCC(=O)Nc1cncc(n1)F 1ca768abb904e07edbb9da9f97151611 [0,1,0,0,0,1|2,0,0]=4 340 B12R1.50 Cc1cncc(c1)NC(=O)C=O c196ecd5263c89a4fe18db4f6e35f203 [0,1,0,0,0,1|2,0,0]=4 341 B12R1.50 O=C(CF)Nc1cncc(c1)F 134c34fd7cf8bd3ac975d75ae760d17b [0,1,0,0,0,1|2,0,0]=4 342 B12R1.50 O=C(CO)Nc1cncc(c1)F 25e57b8e94fb4cc95f8b6331732446a5 [0,1,0,0,0,1|2,0,0]=4 343 B12R1.50 O=C(CS)Nc1cncc(c1)F 46ed4ad95f5f41d3f25371ff94837744 [0,1,0,0,0,1|2,0,0]=4 344 B12R1.50 O=CC(=O)Nc1cncc(c1)Cl 388221f26840037c9ae134bc0d718bcc [0,1,0,0,0,1|2,0,0]=4 345 B12R1.50 O=CC(=O)Nc1cncc(c1)F bde3835c0245ecf123ff8ec8d2a22d39 [0,1,0,0,0,1|2,0,0]=4 346 B12R1.50 O=CC(=O)Nc1cncc(c1)I 53102448def6e331d0b1e1fe6d0b5f39 [0,1,0,0,0,1|2,0,0]=4 347 B12R1.50 O=CC(=O)Nc1cncc(c1)O b78925bb9f5c4954b2eff35bfd3a7d32 [0,1,0,0,0,1|2,0,0]=4 348 B12R1.118 CCC(C=O)Nc1cccnc1 f2a28a3fdb0a09f8d451d38ec59b2c1d [0,1,0,0,0,1|1,0,1]=4 349 B12R1.118 CCC(C=O)Oc1cccnc1 c02ea9913f6b45411de0698448d19ec4 [0,1,0,0,0,1|1,0,1]=4 350 B12R1.118 CCN(C=O)Cc1cccnc1 30cfe04dc8c3ff4b94dfef66857a2c80 [0,1,0,0,0,1|2,0,0]=4 351 B12R1.371 C#CC(=O)Nc1cccnc1Br 12404dc26ddc91f75fe33f4a8b43b6dc [0,1,0,0,0,1|1,0,1]=4 352 B12R1.371 C#CC(=O)Nc1cccnc1C c1e74fda4a820adb9e2c2c8834e04dfd [0,1,0,0,0,1|1,0,1]=4 353 B12R1.371 C#CC(=O)Nc1cccnc1Cl 5813305e9c9b334f8a8d7e5dbc957191 [0,1,0,0,0,1|1,0,1]=4 354 B12R1.371 C#CC(=O)Nc1cccnc1F 86c3e20ffc764d0ebb24dbad6cbfbd77 [0,1,0,0,0,1|1,0,1]=4 355 B12R1.371 C#CC(=O)Nc1cccnc1I 0dc247fcb4fc1c71c6b5957c4df55005 [0,1,0,0,0,1|1,0,1]=4 356 B12R1.371 C#CC(=O)Nc1cccnc1O 924c16a71fe0444c8af60d0ab33a4de0 [0,1,0,0,0,1|1,0,1]=4 357 B12R1.371 C#CC(=O)Nc1cnccc1Br 489c33a665a1a289d2d7608ef6350b5c [0,1,0,0,0,1|1,0,1]=4 358 B12R1.371 C#CC(=O)Nc1cnccc1C 794ba5d5e7386a093fa08bf564c99147 [0,1,0,0,0,1|1,0,1]=4 359 B12R1.371 C#CC(=O)Nc1cnccc1F 7663d305598c0919004302189b887282 [0,1,0,0,0,1|1,0,1]=4 360 B12R1.371 C#CC(=O)Nc1cnccc1I 9b1b391ce341059fdf29633bfcab7695 [0,1,0,0,0,1|1,0,1]=4 361 B12R1.371 C#CC(=O)Nc1cnccc1O c9b7590ed607ebcd9bc0decdde391b66 [0,1,0,0,0,1|1,0,1]=4 362 B12R1.371 C#CC(=O)Nc1cnccc1S 886d0681fa907af78aca5e03f59e9699 [0,1,0,0,0,1|1,0,1]=4 363 B12R1.371 C=CC(=O)Nc1cccnc1Br 68b3b6dc173c1f25203b9b336a2b6aeb [0,1,0,0,0,1|1,0,1]=4 364 B12R1.371 C=CC(=O)Nc1cccnc1C c6e30fd00e10e06b270c4b608034e450 [0,1,0,0,0,1|1,0,1]=4 365 B12R1.371 C=CC(=O)Nc1cccnc1Cl 64b1984f315bee2d9a64b6872cd8a1f1 [0,1,0,0,0,1|1,0,1]=4 366 B12R1.371 C=CC(=O)Nc1cccnc1F b4275476e605906e4c8acc9ac5a68b85 [0,1,0,0,0,1|1,0,1]=4 367 B12R1.371 C=CC(=O)Nc1cccnc1I 711cc2b80a578a23eddeea7431c83062 [0,1,0,0,0,1|1,0,1]=4 368 B12R1.371 C=CC(=O)Nc1cccnc1O af6cc2f157595b88ff5abc3fbf2b9540 [0,1,0,0,0,1|1,0,1]=4 369 B12R1.371 C=CC(=O)Nc1cnccc1Br 6d45363fc115404e9ae20c2caf5ff294 [0,1,0,0,0,1|1,0,1]=4 370 B12R1.371 C=CC(=O)Nc1cnccc1C ba4aeb5205e9cf91dade9f8eaa7d2a0f [0,1,0,0,0,1|1,0,1]=4 371 B12R1.371 C=CC(=O)Nc1cnccc1F 113841a3f1777cb1304ca09f1d4be12a [0,1,0,0,0,1|1,0,1]=4 372 B12R1.371 C=CC(=O)Nc1cnccc1I 2b45d3c6a4ab7ebafde06258e548fc61 [0,1,0,0,0,1|1,0,1]=4 373 B12R1.371 C=CC(=O)Nc1cnccc1O 05b2037b2bd2f5c811b13aa1ef46e505 [0,1,0,0,0,1|1,0,1]=4 374 B12R1.371 C=CC(=O)Nc1cnccc1S 6571b5976adc8ab7105f2e37941e773a [0,1,0,0,0,1|1,0,1]=4 375 B12R1.371 CCC(=O)Nc1ccccc1Br 768a716ead2b99051a9616fb85a27937 [0,1,0,0,0,1|2,0,0]=4 376 B12R1.371 CCC(=O)Nc1ccccc1C 763387b0d89cfb82380d583a59f5a861 [0,1,0,0,0,1|2,0,0]=4 377 B12R1.371 CCC(=O)Nc1ccccc1Cl ef4576d4235b2be875b9c3bf387d3b96 [0,1,0,0,0,1|2,0,0]=4 378 B12R1.371 CCC(=O)Nc1ccccc1F faf1e60044081b206d26fc7146a1b9c6 [0,1,0,0,0,1|2,0,0]=4 379 B12R1.371 CCC(=O)Nc1ccccc1I 6553c7d43a126e629b0ccc3f1bd07b65 [0,1,0,0,0,1|2,0,0]=4 380 B12R1.371 CCC(=O)Nc1ccccc1O 6ec8129c7301f0a0a7cf43011d0730d5 [0,1,0,0,0,1|2,0,0]=4 381 B12R1.371 CCC(=O)Nc1ccccc1S 8fc39cf448fefd509c3c8b231a29d58a [0,1,0,0,0,1|2,0,0]=4 382 B12R1.371 CCC(=O)Nc1cccnc1C c899eb18d125ae79bda304f5d5a21c7b [0,1,0,0,0,1|1,0,0]=3 383 B12R1.371 CCC(=O)Nc1cccnc1Cl 504799db27d77759ea429fe3e29372ed [0,1,0,0,0,1|1,0,0]=3 384 B12R1.371 CCC(=O)Nc1cccnc1F 3a1d9f0154b79f07a219d52e90956681 [0,1,0,0,0,1|1,0,0]=3 385 B12R1.371 CCC(=O)Nc1cccnc1I f2f440152264654586a2b957dcb4b212 [0,1,0,0,0,1|1,0,0]=3 386 B12R1.371 CCC(=O)Nc1cccnc1O 33d60c9193c0358f5a8fde8536d66839 [0,1,0,0,0,1|1,0,0]=3 387 B12R1.371 CCC(=O)Nc1ccnnc1C ceb05a09548cb581b8e63492ac76207c [0,1,0,0,0,1|2,0,0]=4 388 B12R1.371 CCC(=O)Nc1cnccc1Br 2240966fc3891303f48effa49314790d [0,1,0,0,0,1|1,0,0]=3 389 B12R1.371 CCC(=O)Nc1cnccc1C 822967991038a28cb81ff791ee4b01f5 [0,1,0,0,0,1|1,0,0]=3 390 B12R1.371 CCC(=O)Nc1cnccc1F c62e530a992b49fefb4884ec1a4eae0b [0,1,0,0,0,1|1,0,0]=3 391 B12R1.371 CCC(=O)Nc1cnccc1I 292ea2d8a1c3a71cd590b6a4235753ef [0,1,0,0,0,1|1,0,0]=3 392 B12R1.371 CCC(=O)Nc1cnccc1O 77450b4559bbbe6b1eb49213492a6811 [0,1,0,0,0,1|1,0,0]=3 393 B12R1.371 CCC(=O)Nc1nccnc1Br 13fd05cb812e376e8230e60ff1bcb41b [0,1,0,0,0,1|2,0,0]=4 394 B12R1.371 CCC(=O)Nc1nccnc1C d15c304d32f0b93e36777a2c180c9bee [0,1,0,0,0,1|2,0,0]=4 395 B12R1.371 CCC(=O)Nc1nccnc1Cl 382e91d7e749ff967e73e4ebac759755 [0,1,0,0,0,1|2,0,0]=4 396 B12R1.371 CCC(=O)Nc1nccnc1I 3ceb16edf47bcfb860da79f7b11d88dd [0,1,0,0,0,1|2,0,0]=4 397 B12R1.371 CCC(=O)Nc1nccnc1O ee8a7c3d523a9228fae19351c8f9dd2a [0,1,0,0,0,1|2,0,0]=4 398 B12R1.371 CCC(=O)Nc1nnccc1C 664294bc92e52bfe9f40c3ca1adc8073 [0,1,0,0,0,1|2,0,0]=4 399 B12R1.371 Cc1ccncc1NC(=O)C=O ebf7d0ff6ebe2c20d9b379ab1f797db2 [0,1,0,0,0,1|2,0,0]=4 400 B12R1.371 Cc1ncccc1NC(=O)C=O a812ea0c3fb2253e58f0facc9ffc9a3c [0,1,0,0,0,1|2,0,0]=4 401 B12R1.371 Cc1ncccc1NC(=O)CF 0aaccaa6ac640e0213cbab3b2ce12800 [0,1,0,0,0,1|2,0,0]=4 402 B12R1.371 Cc1ncccc1NC(=O)CO f376b201fa4db526c9bf49e8e0718d7a [0,1,0,0,0,1|2,0,0]=4 403 B12R1.371 O=C(CF)Nc1cccnc1Cl 23112b502496f60dde757c61ffd353d4 [0,1,0,0,0,1|2,0,0]=4 404 B12R1.371 O=C(CF)Nc1cccnc1F a75fb3dca32f35093eaa1f0cf517b86e [0,1,0,0,0,1|2,0,0]=4 405 B12R1.371 O=C(CF)Nc1cccnc1I 8db6f6a7a28599938dd4c1929149688b [0,1,0,0,0,1|2,0,0]=4 406 B12R1.371 O=C(CF)Nc1cccnc1O a0de04e1a7e66f0e84fd3f1b8e116246 [0,1,0,0,0,1|2,0,0]=4 407 B12R1.371 O=C(CF)Nc1cnccc1F 42e8d2f6164cce13b227da4861a1ed83 [0,1,0,0,0,1|2,0,0]=4 408 B12R1.371 O=C(CF)Nc1cnccc1I 4e0a2f0a7788b079e47de8a36a960e17 [0,1,0,0,0,1|2,0,0]=4 409 B12R1.371 O=C(CF)Nc1cnccc1O f87c7646246e4ce6a64d66183797d5c2 [0,1,0,0,0,1|2,0,0]=4 410 B12R1.371 O=C(CO)Nc1cccnc1F cc5896d7dfd03feb0b0911d7465e0efc [0,1,0,0,0,1|2,0,0]=4 411 B12R1.371 O=C(CO)Nc1cccnc1I d27969d8c6f1d29d5c2e95fb71c649bb [0,1,0,0,0,1|2,0,0]=4 412 B12R1.371 O=C(CO)Nc1cccnc1O cfb5b466766ac4e03306f3267be675c4 [0,1,0,0,0,1|2,0,0]=4 413 B12R1.371 O=C(CO)Nc1cnccc1F c14a87bba50aa7dfa1b07af2d7dd3d7b [0,1,0,0,0,1|2,0,0]=4 414 B12R1.371 O=C(CO)Nc1cnccc1I d156adf54711d75d90b4ad07aec9cca9 [0,1,0,0,0,1|2,0,0]=4 415 B12R1.371 O=C(CS)Nc1cccnc1F b3ef671f6db5cb828662528775f372f2 [0,1,0,0,0,1|2,0,0]=4 416 B12R1.371 O=C(CS)Nc1cnccc1F 90de8f36b1f56a5fcfc1fb26f72ebeb7 [0,1,0,0,0,1|2,0,0]=4 417 B12R1.371 O=C(CS)Nc1cnccc1I d3333dcd8c2ffaa75eb002266dcc2b35 [0,1,0,0,0,1|2,0,0]=4 418 B12R1.371 O=CC(=O)Nc1cccnc1Br 3d91632e864882fdfe015ea6175e3c9e [0,1,0,0,0,1|2,0,0]=4 419 B12R1.371 O=CC(=O)Nc1cccnc1Cl 4a5e6b169c5399f00f058154d1953a03 [0,1,0,0,0,1|2,0,0]=4 420 B12R1.371 O=CC(=O)Nc1cccnc1F c9a576fe57a867b4bedb54621bffc2f9 [0,1,0,0,0,1|2,0,0]=4 421 B12R1.371 O=CC(=O)Nc1cccnc1I 42107b4d69c3f4b78e0b54430fdf08e7 [0,1,0,0,0,1|2,0,0]=4 422 B12R1.371 O=CC(=O)Nc1cccnc1O b4907bd79d3d6e556ac67a2bf31ef6ff [0,1,0,0,0,1|2,0,0]=4 423 B12R1.371 O=CC(=O)Nc1cnccc1Br 544e5a1beaef8f49f001e082ed085100 [0,1,0,0,0,1|2,0,0]=4 424 B12R1.371 O=CC(=O)Nc1cnccc1F 89efa6cd3f12faaf6d12ff5b32069922 [0,1,0,0,0,1|2,0,0]=4 425 B12R1.371 O=CC(=O)Nc1cnccc1I 86868fe7e2091d1c6164f6ebb91140bc [0,1,0,0,0,1|2,0,0]=4 426 B12R1.371 O=CC(=O)Nc1cnccc1O 328d9074164ddecb14f57ebdd55ed8b8 [0,1,0,0,0,1|2,0,0]=4 427 B12R1.371 O=CC(=O)Nc1cnccc1S e11604f1f4594f2a4868347d4af3e208 [0,1,0,0,0,1|2,0,0]=4 428 B12R1.39 CC(C)(OCF)c1cccnc1 2eb9f2f7f642dba2ea43db14704c79b3 [0,2,0,0,0,0|1,0,1]=4 429 B12R1.39 CCOC(C)(C)c1cccnc1 f88c29388ee67774182c76accb219923 [0,2,0,0,0,0|1,0,1]=4 430 B12R1.3 CCC(NC=O)c1cccnc1 87d0fe1dfb10c405e4ac398b90932d21 [0,2,0,0,0,0|1,0,1]=4 431 B12R1.3 CCN(CC=O)c1cccnc1 32efd6c0b5b0d40666e6f1dc4fc0b878 [0,2,0,0,0,0|2,0,0]=4 432 B12R1.3 CCN(COC)c1cccnc1 799190509faf878a529d2c7126b2c660 [0,2,0,0,0,0|2,0,0]=4 433 B12R1.3 CCOC(C#N)c1cccnc1 3523c3ce9970c59f6dd43d4c2635e7bb [0,2,0,0,0,0|1,0,1]=4 434 B12R1.3 N#CC(OCF)c1cccnc1 bbd1a44ee5489d14e09a9cc02e80bf32 [0,2,0,0,0,0|1,0,1]=4 435 B12R1.12 CCN(C=O)c1ccc(nc1)Cl 48fcda4929c59588e8145c50ca40ef85 [0,2,0,0,0,0|2,0,0]=4 436 B12R1.478 CCN(C(=O)C)c1cccnc1 9012d027ed000d64e84a067dc20ed86f [0,2,0,0,0,0|2,0,0]=4 437 B12R1.16 CC(OCF)c1ccc(nc1)Cl f3969ae7967958bd646dae06f4e8824c [0,2,0,0,0,0|1,0,1]=4 438 B12R1.16 CC(OCF)c1ccc(nc1)F 5f6acaa50ef15ded6c5487dc05f562e1 [0,2,0,0,0,0|1,0,1]=4 439 B12R1.16 CCOC(C)c1ccc(nc1)C 3682fa812228a33fcb267066adb5661b [0,2,0,0,0,0|1,0,1]=4 440 B12R1.16 CCOC(C)c1ccc(nc1)Cl 513604a48a9cd9c919d40ce2079cde4a [0,2,0,0,0,0|1,0,1]=4 441 B12R1.16 CCOC(C)c1ccc(nc1)F 03fd8abf716de40087b07cb83cd93d3e [0,2,0,0,0,0|1,0,1]=4 442 B12R1.16 CCO[C@@H](C)c1ccc(nc1)Cl 123ebbdce6ac15c0af894eb187aeb5e4 [0,2,0,0,0,0|1,0,1]=4 443 B12R1.16 CCO[C@H](C)c1ccc(nc1)Cl 9141c0ac876285c7e84a26f3727f6e0b [0,2,0,0,0,0|1,0,1]=4 444 B12R1.16 COCN(C)c1ccc(nc1)Br 8ad2ad1276a4a3bd19f628b735f47ba8 [0,2,0,0,0,0|2,0,0]=4 445 B12R1.16 COCN(C)c1ccc(nc1)C 93dcfe92f9520efbc8156c858be4f502 [0,2,0,0,0,0|2,0,0]=4 446 B12R1.16 COCN(C)c1ccc(nc1)Cl ca87f2e0379b7ce69bfaea1483796874 [0,2,0,0,0,0|2,0,0]=4 447 B12R1.16 COCN(C)c1ccc(nc1)F 85607aa29ddaf8bd52496f002e9f08b5 [0,2,0,0,0,0|2,0,0]=4 448 B12R1.16 C[C@@H](OCF)c1ccc(nc1)Cl f2ecd21fb02c1e2e8a1e0a62f1c3fa48 [0,2,0,0,0,0|1,0,1]=4 449 B12R1.16 C[C@H](OCF)c1ccc(nc1)Cl e92b5c860888069f7cb520ea33ee336c [0,2,0,0,0,0|1,0,1]=4 450 B12R1.16 Cc1ccc(cn1)C(=O)NC#N 884c99f34e37b89658bcda5afa0a59e2 [0,2,0,0,0,0|1,0,1]=4 451 B12R1.16 N#CNC(=O)c1ccc(nc1)Cl 528fb3f464570c8533cfec2d02bb2cca [0,2,0,0,0,0|1,0,1]=4 452 B12R1.16 N#CNC(=O)c1ccc(nc1)F 294baa5e1685716ff2b9a350f7db5fdc [0,2,0,0,0,0|1,0,1]=4 453 B12R1.16 N#CNC(=O)c1ccc(nc1)I 068c2ce484154cb1205ee763ef94058d [0,2,0,0,0,0|1,0,1]=4 454 B12R1.16 N#CNC(=O)c1ccc(nc1)O 03a35c58574dd25339f2a66e88e1777c [0,2,0,0,0,0|1,0,1]=4 455 B12R1.16 N#CNC(=O)c1ccc(nc1)S 17fd6f30c0b87c5059b13682a25893e8 [0,2,0,0,0,0|1,0,1]=4 456 B12R1.17 CC(OCF)c1cncc(c1)Cl 0e131d1025d8c407a8694d131e96836f [0,2,0,0,0,0|1,0,1]=4 457 B12R1.17 CC(OCF)c1cncc(c1)F 86fef78d1838c4e380537be37bfcc23c [0,2,0,0,0,0|1,0,1]=4 458 B12R1.17 CCOC(C)c1cncc(c1)Cl b4776e8ad85105121bec5d01d4958ee4 [0,2,0,0,0,0|1,0,1]=4 459 B12R1.17 CCOC(C)c1cncc(c1)F 8c42fc6131de3f014072e1968ec8a7e4 [0,2,0,0,0,0|1,0,1]=4 460 B12R1.17 COCN(C)c1cncc(c1)Br 8476a83d9fff04603d45f8e47629ce09 [0,2,0,0,0,0|2,0,0]=4 461 B12R1.17 COCN(C)c1cncc(c1)C 2c3e1b8b45ceae4976d2893256e39ee8 [0,2,0,0,0,0|2,0,0]=4 462 B12R1.17 Cc1cncc(c1)C(=O)NC#N 4664d3f893add063456b838a1296b194 [0,2,0,0,0,0|1,0,1]=4 463 B12R1.17 N#CNC(=O)c1cncc(c1)F ddd7237102d6fcd46bf51799cf76addd [0,2,0,0,0,0|1,0,1]=4 464 B12R1.17 N#CNC(=O)c1cncc(c1)I 7c9ee920f6d32c89c69dd164a301ea00 [0,2,0,0,0,0|1,0,1]=4 465 B12R1.17 N#CNC(=O)c1cncc(c1)O 280c78c566138814576b64334a766b7e [0,2,0,0,0,0|1,0,1]=4 466 B12R1.30 C#CCNC(=O)c1ccccc1 5992adae17a1dd7824373a9ef813d750 [0,2,0,0,0,0|2,0,0]=4 467 B12R1.30 C#CCNC(=O)c1cccnc1 b0856152a0cf85e1384305e5916147c2 [0,2,0,0,0,0|1,0,0]=3 468 B12R1.30 C#CCNC(=O)c1cccnn1 cfe0d5f0adcf67b2ab38bf992a5ef173 [0,2,0,0,0,0|2,0,0]=4 469 B12R1.30 C#CCNC(=O)c1ccnnc1 9c9b468f5757562eb1b7e7ec90440f61 [0,2,0,0,0,0|2,0,0]=4 470 B12R1.30 C#CCNC(=O)c1cnccn1 dc659e49e295702983d9db57acaeb51a [0,2,0,0,0,0|2,0,0]=4 471 B12R1.30 C#CCNC(=O)c1cncnc1 5f9318c437d02c130708f551bdbd2014 [0,2,0,0,0,0|2,0,0]=4 472 B12R1.30 C#CCOC(C)c1cccnc1 1031bae6a744c2674fe153a0be096d49 [0,2,0,0,0,0|1,0,1]=4 473 B12R1.30 C#CCO[C@@H](C)c1cccnc1 e275418fc7e164614e3ca31d756e8f27 [0,2,0,0,0,0|1,0,1]=4 474 B12R1.30 C#CCO[C@H](C)c1cccnc1 ea646f6373002ec3a2c6d33539b6863c [0,2,0,0,0,0|1,0,1]=4 475 B12R1.30 C=C(COCC)c1ccccc1 e1174170fb735530ed2c07509ad0f64f [0,2,0,0,0,0|2,0,0]=4 476 B12R1.30 C=C(COCF)c1ccccc1 7f9b3146156f36d50e79417005ca927c [0,2,0,0,0,0|2,0,0]=4 477 B12R1.30 C=CCOC(C)c1cccnc1 6dc91bf2a16463ee0dd83725dc389eb0 [0,2,0,0,0,0|1,0,1]=4 478 B12R1.30 C=CCO[C@@H](C)c1cccnc1 f10302f12c22d21fc261424c5814c83d [0,2,0,0,0,0|1,0,1]=4 479 B12R1.30 C=CCO[C@H](C)c1cccnc1 16db09e3b4a277e657db0a14a938e6cb [0,2,0,0,0,0|1,0,1]=4 480 B12R1.30 CC(OCC#N)c1cccnc1 132525ba6ce124699bcb8c3f526324a2 [0,2,0,0,0,0|1,0,1]=4 481 B12R1.30 CC(OCC=O)c1cccnc1 b3097ef83a32db03fdb0e8562b127a75 [0,2,0,0,0,0|1,0,1]=4 482 B12R1.30 CC(OCCF)c1cccnc1 98746f7ef16d61be172e1b4730ee6c59 [0,2,0,0,0,0|1,0,1]=4 483 B12R1.30 CC(OCCS)c1cccnc1 f4e3b8480b601c42b0835714b4b72018 [0,2,0,0,0,0|1,0,1]=4 484 B12R1.30 CCCNC(=O)c1ccccc1 17d55bfe3f14492436164da3d0c80e57 [0,2,0,0,0,0|2,0,0]=4 485 B12R1.30 CCCNC(=O)c1cccnc1 3307a345d1b42f2c6d215fbac04a28f4 [0,2,0,0,0,0|1,0,0]=3 486 B12R1.30 CCCNC(=O)c1cccnn1 d79db48c2c6d122ffd7c966384637b17 [0,2,0,0,0,0|2,0,0]=4 487 B12R1.30 CCCNC(=O)c1ccnnc1 ae6705bfa45000d52e03ba70c4a47920 [0,2,0,0,0,0|2,0,0]=4 488 B12R1.30 CCCNC(=O)c1cnccn1 4f0c6ad8dfe097ecbbeb03521862c352 [0,2,0,0,0,0|2,0,0]=4 489 B12R1.30 CCCNC(=O)c1cncnc1 76fc5357da0c2a4f4c5ccffda41f833d [0,2,0,0,0,0|2,0,0]=4 490 B12R1.30 CCCOC(C)c1cccnc1 b4a5c4f0d8d2d6a3dec1c8ec47f4f20f [0,2,0,0,0,0|1,0,1]=4 491 B12R1.30 CCCO[C@@H](C)c1cccnc1 a6442581c5df29535d93cb8f5fa5694f [0,2,0,0,0,0|1,0,1]=4 492 B12R1.30 CCCO[C@H](C)c1cccnc1 fec7058011aa3e2c96cfd1d3b525aa6e [0,2,0,0,0,0|1,0,1]=4 493 B12R1.30 CCNCC(=O)c1ccccc1 120782ba76f814e86bdef32896186f08 [0,2,0,0,0,0|2,0,0]=4 494 B12R1.30 CCOCC(=O)c1ccccc1 d10a1656db1ce15c4b0e7531fc2ce741 [0,2,0,0,0,0|1,0,0]=3 495 B12R1.30 CCOCC(=O)c1ccccn1 dca3a90de36d6da1383fefa302a94393 [0,2,0,0,0,0|2,0,0]=4 496 B12R1.30 CCOCC(=O)c1cccnc1 aef6d38b572782e69bfe5e03089f6e74 [0,2,0,0,0,0|0,0,0]=2 497 B12R1.30 CCOCN(C)c1cccnc1 a5ca197575fc4d53980fc1191aefb32b [0,2,0,0,0,0|2,0,0]=4 498 B12R1.30 COCCN(C)c1cccnc1 4f9df4b065d1c9e4a8e6fa505ba3f2dd [0,2,0,0,0,0|2,0,0]=4 499 B12R1.30 COCNC(C)c1cccnc1 3b8f3215bb671696fda56e94e8674604 [0,2,0,0,0,0|1,0,1]=4 500 B12R1.30 COCN[C@@H](C)c1cccnc1 00ed3ee3fdd3eacbaf23a145cc56829b [0,2,0,0,0,0|1,0,1]=4 501 B12R1.30 COCN[C@H](C)c1cccnc1 221f90621b3face8d5ddf0399a64c75b [0,2,0,0,0,0|1,0,1]=4 502 B12R1.30 COCOC(C)c1cccnc1 643684e61fedf53617fedae92fa75424 [0,2,0,0,0,0|1,0,1]=4 503 B12R1.30 COCO[C@@H](C)c1cccnc1 17fd6c5b51edf6fabed3ef2792222607 [0,2,0,0,0,0|1,0,1]=4 504 B12R1.30 COCO[C@H](C)c1cccnc1 34e6426da9f6f855e9b1fb3a0535c51c [0,2,0,0,0,0|1,0,1]=4 505 B12R1.30 CSCOC(C)c1cccnc1 506088ce45beb9c36ff46608da654d32 [0,2,0,0,0,0|1,0,1]=4 506 B12R1.30 CSCO[C@@H](C)c1cccnc1 6799e68b88695adbe9845652e8cf13f8 [0,2,0,0,0,0|1,0,1]=4 507 B12R1.30 CSCO[C@H](C)c1cccnc1 730885ff2e1d3d49743ef910d1431b30 [0,2,0,0,0,0|1,0,1]=4 508 B12R1.30 C[C@@H](OCC#N)c1cccnc1 c28f0920953fb6afab433614112fd422 [0,2,0,0,0,0|1,0,1]=4 509 B12R1.30 C[C@@H](OCC=O)c1cccnc1 bd8951b6dc711dfc03d58571a895d792 [0,2,0,0,0,0|1,0,1]=4 510 B12R1.30 C[C@@H](OCCF)c1cccnc1 6a3742b6aeb10bfd8630f9322804c184 [0,2,0,0,0,0|1,0,1]=4 511 B12R1.30 C[C@@H](OCCS)c1cccnc1 d6da99f8c2b9434d3cc09ce712188144 [0,2,0,0,0,0|1,0,1]=4 512 B12R1.30 C[C@H](OCC#N)c1cccnc1 2c18bfb7f2602df76595cda4a7a02890 [0,2,0,0,0,0|1,0,1]=4 513 B12R1.30 C[C@H](OCC=O)c1cccnc1 6617dda1a7d57f98c273575fd1bc7689 [0,2,0,0,0,0|1,0,1]=4 514 B12R1.30 C[C@H](OCCF)c1cccnc1 56b5df1d6daccd65bac8f52b25674d64 [0,2,0,0,0,0|1,0,1]=4 515 B12R1.30 C[C@H](OCCS)c1cccnc1 5d1eb8a0b2f3130d914871e9f0d962e5 [0,2,0,0,0,0|1,0,1]=4 516 B12R1.30 N#CCNC(=O)c1ccccc1 fc4b219e64be81c56d6d3aeb9506ed05 [0,2,0,0,0,0|2,0,0]=4 517 B12R1.30 N#CCNC(=O)c1cccnc1 a2a845f46f3f162cf3a70e4d09d00e96 [0,2,0,0,0,0|1,0,0]=3 518 B12R1.30 N#CCNC(=O)c1cccnn1 3b6fae3229c77ea5fb574fa521cb9e5f [0,2,0,0,0,0|2,0,0]=4 519 B12R1.30 N#CCNC(=O)c1ccnnc1 4eb3a862bd92172543dcde545da20449 [0,2,0,0,0,0|2,0,0]=4 520 B12R1.30 N#CCNC(=O)c1cnccn1 4d14fd93f6597f1fbe1e13d5d9811fe9 [0,2,0,0,0,0|2,0,0]=4 521 B12R1.30 N#CCNC(=O)c1cncnc1 34e752ceb7454a7317e845c8157b71b1 [0,2,0,0,0,0|2,0,0]=4 522 B12R1.30 N#CNCC(=O)c1cccnc1 c7888b02e46d3d4a1f1b7a4afedec4d0 [0,2,0,0,0,0|1,0,1]=4 523 B12R1.30 O=C(CNCF)c1ccccc1 b008ddf68ca6c6ff7ea37d0a87275ccd [0,2,0,0,0,0|2,0,0]=4 524 B12R1.30 O=C(CNCO)c1ccccc1 1f6ea0716cbea011ade59a66de8cfc95 [0,2,0,0,0,0|2,0,0]=4 525 B12R1.30 O=C(COCF)c1ccccc1 1a03c575b01170f76330974774069cf7 [0,2,0,0,0,0|1,0,0]=3 526 B12R1.30 O=C(COCF)c1ccccn1 d721e2a9100a69c5669bc1ea4a691a11 [0,2,0,0,0,0|2,0,0]=4 527 B12R1.30 O=C(COCF)c1cccnc1 9a8e93ae6bef36d6135782ae10319c45 [0,2,0,0,0,0|0,0,0]=2 528 B12R1.30 O=C(NCCBr)c1ccccc1 7c87b4242707692635884c6b6fcd4df1 [0,2,0,0,0,0|2,0,0]=4 529 B12R1.30 O=C(NCCBr)c1cccnc1 aa6bec5a14f064ed8104ac011e985f93 [0,2,0,0,0,0|1,0,0]=3 530 B12R1.30 O=C(NCCBr)c1ccnnc1 e597003da8131a10e39fa1b3052416ee [0,2,0,0,0,0|2,0,0]=4 531 B12R1.30 O=C(NCCBr)c1cnccn1 dc1c0ed730ff73184b0071295546980e [0,2,0,0,0,0|2,0,0]=4 532 B12R1.30 O=C(NCCBr)c1cncnc1 abb058cabf9c1115afd09fec97b657b9 [0,2,0,0,0,0|2,0,0]=4 533 B12R1.30 O=C(NCCF)c1ccccc1 e638ffad58379d89848ae9345da1475d [0,2,0,0,0,0|2,0,0]=4 534 B12R1.30 O=C(NCCF)c1cccnc1 9e8dfc1ff3c253e05735643d47a5382b [0,2,0,0,0,0|1,0,0]=3 535 B12R1.30 O=C(NCCF)c1cccnn1 7fb048d0bc77489d7ba47fdfd1f52d0c [0,2,0,0,0,0|2,0,0]=4 536 B12R1.30 O=C(NCCF)c1ccnnc1 6436b2193c4ea99eef0cf58ae2344731 [0,2,0,0,0,0|2,0,0]=4 537 B12R1.30 O=C(NCCF)c1cnccn1 3f5ca43d495ce3de27a1429bcf06a016 [0,2,0,0,0,0|2,0,0]=4 538 B12R1.30 O=C(NCCF)c1cncnc1 1fad33e55313a17ca46e6fa402ec4d02 [0,2,0,0,0,0|2,0,0]=4 539 B12R1.30 O=C(NCCI)c1ccccc1 f9da4089887204671775e3bd8a7c2cbe [0,2,0,0,0,0|2,0,0]=4 540 B12R1.30 O=C(NCCI)c1cccnc1 08710fab037c1782967a4b685b3a30f8 [0,2,0,0,0,0|1,0,0]=3 541 B12R1.30 O=C(NCCI)c1cccnn1 4105c854daf15cd5027ddd6f2d49e9fb [0,2,0,0,0,0|2,0,0]=4 542 B12R1.30 O=C(NCCI)c1ccnnc1 e45a5da0267776a1f75ef318c11f5434 [0,2,0,0,0,0|2,0,0]=4 543 B12R1.30 O=C(NCCI)c1cnccn1 a898438d00857aa21003ec5794c5e020 [0,2,0,0,0,0|2,0,0]=4 544 B12R1.30 O=C(NCCI)c1cncnc1 36abe72a217cd7277c6dad840d0d6431 [0,2,0,0,0,0|2,0,0]=4 545 B12R1.30 O=C(NCCO)c1ccccc1 d034a5a3334662fbb2c17b7d9b92b751 [0,2,0,0,0,0|2,0,0]=4 546 B12R1.30 O=C(NCCO)c1cccnc1 963df7532c713daef1e9a51aa93e2bdc [0,2,0,0,0,0|1,0,0]=3 547 B12R1.30 O=C(NCCO)c1cccnn1 473ab53b8b65e7e49910df6118664e38 [0,2,0,0,0,0|2,0,0]=4 548 B12R1.30 O=C(NCCO)c1ccnnc1 f638618cb26b467de1e258aec7f3e9bd [0,2,0,0,0,0|2,0,0]=4 549 B12R1.30 O=C(NCCO)c1cnccn1 a11b4b760d463a45cf9827c6d1603f32 [0,2,0,0,0,0|2,0,0]=4 550 B12R1.30 O=C(NCCO)c1cncnc1 90ac02ea9f64988e99a0d2fe29c99dfa [0,2,0,0,0,0|2,0,0]=4 551 B12R1.30 O=C(NCCS)c1ccccc1 0eed267da0c4369b9172240aa5aa6bce [0,2,0,0,0,0|2,0,0]=4 552 B12R1.30 O=C(NCCS)c1cccnc1 ec7c915ff51c0bb22668b31efc7b81c3 [0,2,0,0,0,0|1,0,0]=3 553 B12R1.30 O=C(NCCS)c1cccnn1 7dbf9f1d7340e3f1ffbfa7b147130608 [0,2,0,0,0,0|2,0,0]=4 554 B12R1.30 O=C(NCCS)c1ccnnc1 10a6b2011179b8b0da62ab8cd84df16c [0,2,0,0,0,0|2,0,0]=4 555 B12R1.30 O=C(NCCS)c1cnccn1 e7b3250631895a78a247501f23f34df7 [0,2,0,0,0,0|2,0,0]=4 556 B12R1.30 O=C(NCCS)c1cncnc1 633dd3954bbada0bacfc6bcb1ac81340 [0,2,0,0,0,0|2,0,0]=4 557 B12R1.107 CC(C)OC(C)c1cccnc1 a720356d264ae2e2bd94268a34af0246 [0,2,0,0,0,0|1,0,1]=4 558 B12R1.107 CC(C)O[C@@H](C)c1cccnc1 e078965ffd7282aede11459af9dd81de [0,2,0,0,0,0|1,0,1]=4 559 B12R1.107 CC(C)O[C@H](C)c1cccnc1 8b46fac7478602a39d5771164fd44ea8 [0,2,0,0,0,0|1,0,1]=4 560 B12R1.308 CCOC(C)c1cccnc1Br fc2c5251d9679351d2fd46ae057755dc [0,2,0,0,0,0|1,0,1]=4 561 B12R1.308 CCOC(C)c1cccnc1C 918f38d722eb654cc10b57ed25f02f64 [0,2,0,0,0,0|1,0,1]=4 562 B12R1.308 CCOC(C)c1cccnc1Cl e1cb54086327742dad009f9983efdcdc [0,2,0,0,0,0|1,0,1]=4 563 B12R1.308 CCO[C@H](C)c1cccnc1Cl f8fe79e213ecf5c20bc86e7607d7e3ec [0,2,0,0,0,0|1,0,1]=4 564 B12R1.308 COCN(C)c1cccnc1Br 98dca011fc532b04a9cedaec53174393 [0,2,0,0,0,0|2,0,0]=4 565 B12R1.308 COCN(C)c1cccnc1C f65cab89a1b4f4118a6779a3ca806022 [0,2,0,0,0,0|2,0,0]=4 566 B12R1.308 COCN(C)c1cccnc1Cl a2aad3c28f1a44d091a3e112aef5db9c [0,2,0,0,0,0|2,0,0]=4 567 B12R1.308 COCN(C)c1cccnc1F e8ac6a6439b4b36f9f013d2d9e65282d [0,2,0,0,0,0|2,0,0]=4 568 B12R1.308 COCN(C)c1cnccc1C cd03a99708ecc966d30230e940744351 [0,2,0,0,0,0|2,0,0]=4 569 B12R1.308 COCN(C)c1cnccc1Cl 97fa3eb83c8048424b38248561f9205c [0,2,0,0,0,0|2,0,0]=4 570 B12R1.308 COCN(C)c1cnccc1F 14305ceedf62c5ef5ce1df725642f098 [0,2,0,0,0,0|2,0,0]=4 571 B12R1.308 Cc1ccncc1C(=O)NC#N 9a131b3b0de2d1a7e11346ae92811b51 [0,2,0,0,0,0|1,0,1]=4 572 B12R1.308 Cc1ncccc1C(=O)NC#N 074ac6bd94c9ea782d2ec0e46eb4fce5 [0,2,0,0,0,0|1,0,1]=4 573 B12R1.308 N#CNC(=O)c1cccnc1Br 9a65c86072da21cfc4f6fbc64e6bf740 [0,2,0,0,0,0|1,0,1]=4 574 B12R1.308 N#CNC(=O)c1cccnc1Cl adc3fca5caba0c558f8144f150e423a8 [0,2,0,0,0,0|1,0,1]=4 575 B12R1.308 N#CNC(=O)c1cccnc1F 5c5822d8c7e53379673b2587f7d81be8 [0,2,0,0,0,0|1,0,1]=4 576 B12R1.308 N#CNC(=O)c1cccnc1I 1632a15b9c84576ffdfcc7bec8e21092 [0,2,0,0,0,0|1,0,1]=4 577 B12R1.308 N#CNC(=O)c1cccnc1O 4afce5589cd5da14eeb7f21d3ca717aa [0,2,0,0,0,0|1,0,1]=4 578 B12R1.308 N#CNC(=O)c1cccnc1S e409e085b7cd0ef060c78332e0491bc8 [0,2,0,0,0,0|1,0,1]=4 579 B12R1.308 N#CNC(=O)c1cnccc1Br 841c62585f60e0a9e62dc972c9fd6c4c [0,2,0,0,0,0|1,0,1]=4 580 B12R1.308 N#CNC(=O)c1cnccc1Cl eb772955bcbd3da4971e012e459e126e [0,2,0,0,0,0|1,0,1]=4 581 B12R1.308 N#CNC(=O)c1cnccc1F 3b904d62651386cd527de88b6bec182a [0,2,0,0,0,0|1,0,1]=4 582 B12R1.308 N#CNC(=O)c1cnccc1O 67c5d0eebbb218e3c934e1ec0ef925c9 [0,2,0,0,0,0|1,0,1]=4 583 B10R1.16 C=CCOC1=CC(=O)OC1 1d561036422e1bc4c1bf6d44aa368a39 [0,0,1,1,0,0|1,0,1]=4 584 B12R2.1 O=CN1CCc2c1cccn2 d2dcd13cafbd9713f3325443b770875f [0,1,0,1,0,0|2,0,0]=4 585 B12R2.1 O=CN1CCc2c1cncc2 1b052413b23f1c3e48b9b6dcd0ea0849 [0,1,0,1,0,0|2,0,0]=4 586 B12R2.2 c1cncc(c1)c2ccco2 fa36aaa20f1537d247a60065bd2ee876 [0,1,0,1,0,0|1,0,1]=4 587 B12R2.2 c1cncc(c1)c2ccno2 2e2118eafdf7f5418750adf7ea0574ad [0,1,0,1,0,0|1,0,1]=4 588 B12R2.2 c1cncc(c1)c2ccoc2 ae3eb0c1c882ca0197b071ebab2a48dd [0,1,0,1,0,0|1,0,1]=4 589 B12R2.2 c1cncc(c1)c2ccon2 4276feaf2f90396fa9e7bf8228145f31 [0,1,0,1,0,0|1,0,1]=4 590 B12R2.2 c1cncc(c1)c2cnco2 39e06c050183ab8abccdf98c613a1875 [0,1,0,1,0,0|1,0,1]=4 591 B12R2.2 c1cncc(c1)c2cnoc2 1161625b51938de25e0ac404dd2981c4 [0,1,0,1,0,0|2,0,0]=4 592 B12R2.2 c1cncc(c1)c2cocn2 791e82413e67804a6083e3b286c7f028 [0,1,0,1,0,0|1,0,1]=4 593 B12R2.2 c1cncc(c1)c2ncco2 a675aafa36e90e02f087051c15608ba6 [0,1,0,1,0,0|1,0,1]=4 594 B12R2.2 c1cncc(c1)c2nnco2 0e298d658298dd0cd873eb28b5bdd416 [0,1,0,1,0,0|1,0,1]=4 595 B12R1.27 C#CC(=O)NCc1cccnc1 4a28b9dfdd7591a6918c14a1afb562d7 [0,0,0,0,0,2|1,0,1]=4 596 B12R1.27 C=C(CC)CNc1cccnc1 8cbdf3584644d8652491ffda9c8df985 [0,0,0,0,0,2|2,0,0]=4 597 B12R1.27 C=C(CC)COc1cccnc1 23f2aa6e96c6366735818713517c20fd [0,0,0,0,0,2|2,0,0]=4 598 B12R1.27 C=C(CNc1ccccc1)OC bb949f54d2f54d3e6e888faf57686f4e [0,0,0,0,0,2|2,0,0]=4 599 B12R1.27 C=C(CNc1cccnc1)OC 16f5c6a181503e92db9c7517f408c15a [0,0,0,0,0,2|1,0,0]=3 600 B12R1.27 C=C(CNc1cccnn1)OC 40a3a50e8c2b2fdfe69da2df1f85b54a [0,0,0,0,0,2|2,0,0]=4 601 B12R1.27 C=C(CNc1ccnnc1)OC 9d5250f7312b1a37997f5ee23bdde17d [0,0,0,0,0,2|2,0,0]=4 602 B12R1.27 C=C(CNc1cnccn1)OC 8c4364107ef39beab1cee8c992961037 [0,0,0,0,0,2|2,0,0]=4 603 B12R1.27 C=C(CNc1cncnc1)OC ad7072b03e12dd17ef113131d4b3cb5a [0,0,0,0,0,2|2,0,0]=4 604 B12R1.27 C=C(COc1cccnc1)OC 3ff9797a1ba9a3ae1d012481d7824603 [0,0,0,0,0,2|1,0,0]=3 605 B12R1.27 C=C(COc1ccnnc1)OC 3790ac1ffb9eb163022f7221170447a4 [0,0,0,0,0,2|2,0,0]=4 606 B12R1.27 C=C(COc1cnccn1)OC 924235b1bc88bbbb5e9fa1176d9dbd43 [0,0,0,0,0,2|2,0,0]=4 607 B12R1.27 C=C(COc1cncnc1)OC be8b6e4775a14310df8d7e2408468a16 [0,0,0,0,0,2|2,0,0]=4 608 B12R1.27 C=CC(=O)NCc1cccnc1 e09e1cb5d49683d779e138de2dd45d53 [0,0,0,0,0,2|1,0,1]=4 609 B12R1.27 CCC(=O)CNc1ccccc1 8a00a9b87cff2992f22bb204b9e2670f [0,0,0,0,0,2|2,0,0]=4 610 B12R1.27 CCC(=O)CNc1cccnc1 1504cf6a29e5927e00fbb7fbe9fae424 [0,0,0,0,0,2|1,0,0]=3 611 B12R1.27 CCC(=O)CNc1cccnn1 09b904cf943697c5703e114041cabbf6 [0,0,0,0,0,2|2,0,0]=4 612 B12R1.27 CCC(=O)CNc1ccnnc1 ff55ddcac83d8b40af4db08be781a31c [0,0,0,0,0,2|2,0,0]=4 613 B12R1.27 CCC(=O)CNc1cnccn1 30c805bc62fa93daf99bb4c03fccefb8 [0,0,0,0,0,2|2,0,0]=4 614 B12R1.27 CCC(=O)CNc1cncnc1 bd6d7c53684d70bf69a868e7bebb10fb [0,0,0,0,0,2|2,0,0]=4 615 B12R1.27 CCC(=O)COc1cccnc1 b80719a3406cee7589ce2d1a152f5933 [0,0,0,0,0,2|1,0,0]=3 616 B12R1.27 CCC(=O)COc1ccnnc1 acad4d8761e0ea5a92a9ea826657198b [0,0,0,0,0,2|2,0,0]=4 617 B12R1.27 CCC(=O)COc1cnccn1 811f6d4b56accd6810554b3263423de3 [0,0,0,0,0,2|2,0,0]=4 618 B12R1.27 CCC(=O)COc1cncnc1 a0b17ffd469a00633884f9e13bf001a9 [0,0,0,0,0,2|2,0,0]=4 619 B12R1.27 CCC(=O)NCc1ccccc1 cd109163e80059e2763660343f9dbe36 [0,0,0,0,0,2|2,0,0]=4 620 B12R1.27 CCC(=O)NCc1cccnc1 163349dbb40d7f18c251a823056c2629 [0,0,0,0,0,2|1,0,0]=3 621 B12R1.27 CCC(=O)NCc1cccnn1 1483b94e7eca014cbe2ad2c78a20b994 [0,0,0,0,0,2|2,0,0]=4 622 B12R1.27 CCC(=O)NCc1ccnnc1 cf6eb901a2d3e757fec0aec7504b90a4 [0,0,0,0,0,2|2,0,0]=4 623 B12R1.27 CCC(=O)NCc1cnccn1 9cdf4761dd5db2a2596b884b42c64499 [0,0,0,0,0,2|2,0,0]=4 624 B12R1.27 CCC(=O)NCc1cncnc1 c650fbc1ee994627e80e03707dbff3c4 [0,0,0,0,0,2|2,0,0]=4 625 B12R1.27 CNC(=O)CNc1ccccc1 9c8781c492a9bef282f2e4766dfd7321 [0,0,0,0,0,2|2,0,0]=4 626 B12R1.27 CNC(=O)CNc1cccnc1 e74073d8f4796974c660596e377c33cf [0,0,0,0,0,2|1,0,0]=3 627 B12R1.27 CNC(=O)CNc1cccnn1 64c5af8e97476b22040e8c30e4408cb4 [0,0,0,0,0,2|2,0,0]=4 628 B12R1.27 CNC(=O)CNc1ccnnc1 e32ab8448ea06344b91a77f1d56fd4a7 [0,0,0,0,0,2|2,0,0]=4 629 B12R1.27 CNC(=O)CNc1cnccn1 5ba9037bd82d564b7d2cf5f746ad8b38 [0,0,0,0,0,2|2,0,0]=4 630 B12R1.27 CNC(=O)CNc1cncnc1 54052eb13c40fd5024fe059799f1f33c [0,0,0,0,0,2|2,0,0]=4 631 B12R1.27 CNC(=O)COc1cccnc1 609ec57943b9a9b0a728c8221c1b3313 [0,0,0,0,0,2|1,0,0]=3 632 B12R1.27 CNC(=O)COc1ccnnc1 350c3df6381c3c7701a6a2c8f329669c [0,0,0,0,0,2|2,0,0]=4 633 B12R1.27 CNC(=O)COc1cnccn1 5291d23d84528a76c83f63a87c73cb99 [0,0,0,0,0,2|2,0,0]=4 634 B12R1.27 CNC(=O)COc1cncnc1 c6af728bc682c64af92248f4cffaaeb5 [0,0,0,0,0,2|2,0,0]=4 635 B12R1.27 COC(=O)CNc1ccccc1 4732dba1106eb1ebf4644524cb0d5858 [0,0,0,0,0,2|1,0,0]=3 636 B12R1.27 COC(=O)CNc1ccccn1 422ec05b49687667e2eb26080da1b005 [0,0,0,0,0,2|2,0,0]=4 637 B12R1.27 COC(=O)CNc1cccnc1 bb8fa453cbe767f1bfa38300e2133b6f [0,0,0,0,0,2|0,0,0]=2 638 B12R1.27 COC(=O)CNc1cccnn1 e3fe85fcb804bff6501492672485587b [0,0,0,0,0,2|1,0,0]=3 639 B12R1.27 COC(=O)CNc1ccncc1 4b6a9e8b399f3b2656c00a1a6d53d873 [0,0,0,0,0,2|2,0,0]=4 640 B12R1.27 COC(=O)CNc1ccnnc1 2e2b30630be5941787e8d1a0e316f637 [0,0,0,0,0,2|1,0,0]=3 641 B12R1.27 COC(=O)CNc1cnccn1 9ab7e38034cacb42b2d0dc4b8d5f1b98 [0,0,0,0,0,2|1,0,0]=3 642 B12R1.27 COC(=O)CNc1cncnc1 c8a72bd510c192fa59fdd14c77a83f17 [0,0,0,0,0,2|1,0,0]=3 643 B12R1.27 COC(=O)CNc1cncnn1 f123ce07fcae8210c64593d3a29e998f [0,0,0,0,0,2|2,0,0]=4 644 B12R1.27 COC(=O)CNc1cnncn1 cf984d1d26d0adac5acf27eadcb52be3 [0,0,0,0,0,2|2,0,0]=4 645 B12R1.27 COC(=O)CNc1nccnn1 7d54c21270453ab0bf00ea5bcb651e99 [0,0,0,0,0,2|2,0,0]=4 646 B12R1.27 COC(=O)COc1ccccn1 b9320fa8fadd3b157619c972c855ab22 [0,0,0,0,0,2|2,0,0]=4 647 B12R1.27 COC(=O)COc1cccnc1 4796298b812d84cf06b77d8bd60f9b41 [0,0,0,0,0,2|0,0,0]=2 648 B12R1.27 COC(=O)COc1ccncc1 0e6c838d44328ff91eb92d7c7be39fd1 [0,0,0,0,0,2|2,0,0]=4 649 B12R1.27 COC(=O)COc1ccnnc1 d33d2e48754a2c3a06e1d66d7e549a61 [0,0,0,0,0,2|1,0,0]=3 650 B12R1.27 COC(=O)COc1cnccn1 6e2ee09d9c1f5e1139c45fa3c46e2667 [0,0,0,0,0,2|1,0,0]=3 651 B12R1.27 COC(=O)COc1cncnc1 8b3f6c1dba40f762a9affd4fbc4f68ef [0,0,0,0,0,2|1,0,0]=3 652 B12R1.27 COC(=O)COc1cncnn1 38e0b6bb733b794b7d24a9766b32ec65 [0,0,0,0,0,2|2,0,0]=4 653 B12R1.27 COC(C)CNc1cccnc1 22ea1776f5c64fa404e2b1d10875769b [0,0,0,0,0,2|1,0,1]=4 654 B12R1.27 COC(C)COc1cccnc1 9293f71aa0063e3b71a6c85117d16856 [0,0,0,0,0,2|1,0,1]=4 655 B12R1.27 CO[C@@H](C)CNc1cccnc1 ed45e74a30d0fad7831c896f4455a3e9 [0,0,0,0,0,2|1,0,1]=4 656 B12R1.27 CO[C@@H](C)COc1cccnc1 4625df0874e428ea62a16a84848b31c3 [0,0,0,0,0,2|1,0,1]=4 657 B12R1.27 CO[C@H](C)CNc1cccnc1 3d28dbb191d334198e2e90ddce2fa1a4 [0,0,0,0,0,2|1,0,1]=4 658 B12R1.27 CO[C@H](C)COc1cccnc1 a0e969ee0f3c10fe22a63e3d03e64109 [0,0,0,0,0,2|1,0,1]=4 659 B12R1.27 O=C(CF)NCc1cccnc1 55aee9f781bad42df720fff04950da75 [0,0,0,0,0,2|2,0,0]=4 660 B12R1.27 O=C(CNc1cccnc1)NO 8a27a50468684c1595a33212cebac4a8 [0,0,0,0,0,2|2,0,0]=4 661 B12R1.27 O=C(CO)CNc1cccnc1 2c6f296e217cf230fda521b9de841c22 [0,0,0,0,0,2|2,0,0]=4 662 B12R1.27 O=C(CO)NCc1cccnc1 accc53643db8ccf06656b79e4c302034 [0,0,0,0,0,2|2,0,0]=4 663 B12R1.27 O=C(CS)NCc1cccnc1 5a5dc7c7f2b3649e173a6d2509493bc1 [0,0,0,0,0,2|2,0,0]=4 664 B12R1.27 O=CC(=O)NCc1cccnc1 255e4a66d59bc42b0ce46d18d7582057 [0,0,0,0,0,2|2,0,0]=4