0 B10R1.15 CCN(C)c1ccccc1 9cc6568b1f30abe04427bdea858da30e [0,0,0,0,0,0|3,0,0]=3 1 B10R1.15 CCN(C)c1cccnc1 04b21f569d4c75e23135eca19e8dfd7f [0,0,0,0,0,0|4,0,0]=4 2 B10R1.15 CCN(C)c1ccncc1 b94b8554b6698451ca404459911593cc [0,0,0,0,0,0|4,0,0]=4 3 B9R1.8 CCNc1ccccc1 33257e4a9e1d882742dfd4cfddb78cda [1,0,0,0,0,0|2,0,0]=3 4 B9R1.8 CCNc1ccccn1 2525c23bd886b96c78c0be1e9ad1905b [1,0,0,0,0,0|3,0,0]=4 5 B9R1.8 CCNc1cccnc1 e16c06cad87ecb5a3a4a58b6d8537631 [1,0,0,0,0,0|3,0,0]=4 6 B9R1.8 CCNc1ccncc1 76118d388bf159fc52a5b3b43773c6d0 [1,0,0,0,0,0|3,0,0]=4 7 B9R1.8 CCOc1ccccn1 8b10ed115fcb5b65f209d3b07c05b728 [1,0,0,0,0,0|3,0,0]=4 8 B9R1.8 CCOc1cccnc1 efa582b018c37c3ab155936515b551ea [1,0,0,0,0,0|3,0,0]=4 9 B9R1.8 CCOc1ccncc1 365c1eef106f5326bc3144a980f01ba5 [1,0,0,0,0,0|3,0,0]=4 10 B9R1.8 FCNc1ccccc1 c8185de2a7206057ede93409452a493c [1,0,0,0,0,0|3,0,0]=4 11 B9R1.8 OCNc1ccccc1 6a26daba1a11b7282126aadb7f7b8f97 [1,0,0,0,0,0|3,0,0]=4 12 B11R1.12 CCN(C#N)c1ccccc1 0a33bcc251eace95a09e2548bafab86c [0,1,0,0,0,0|3,0,0]=4 13 B11R1.12 CCN(C=O)c1ccccc1 da6bb0dc53f1d66135131d66e3bbe341 [0,1,0,0,0,0|2,0,0]=3 14 B11R1.12 CCN(C=O)c1ccccn1 37ec100e83e1f6ae17d6e3d5e7e2efcf [0,1,0,0,0,0|3,0,0]=4 15 B11R1.12 CCN(C=O)c1cccnc1 480f2644a238345f8cb34be867d4aca8 [0,1,0,0,0,0|3,0,0]=4 16 B11R1.12 CCN(C=O)c1ccncc1 509a741e45cf3609202d1982e0d164de [0,1,0,0,0,0|3,0,0]=4 17 B11R1.12 CCN(CF)c1ccccc1 64bfdf9f1ec7c91dbb7909bf38760f4f [0,1,0,0,0,0|3,0,0]=4 18 B11R1.16 CC(OCF)c1ccccc1 a5a4510633c1500ac034b294490d7f65 [0,1,0,0,0,0|1,0,1]=3 19 B11R1.16 CC(OCF)c1ccccn1 2375003933f3ce846737f38420e767b3 [0,1,0,0,0,0|2,0,1]=4 20 B11R1.16 CC(OCF)c1cccnc1 38385d8a804ea3beb03ef81ac1897631 [0,1,0,0,0,0|2,0,1]=4 21 B11R1.16 CC(OCF)c1ccncc1 6bf0979779201a0d2383a11ee6cede62 [0,1,0,0,0,0|2,0,1]=4 22 B11R1.16 CCCN(C)c1ccccc1 5333b12ce18e2a38096b8e486fed114a [0,1,0,0,0,0|3,0,0]=4 23 B11R1.16 CCNC(C)c1ccccc1 af03e39d181c5fd668bda5d6f7d06e14 [0,1,0,0,0,0|2,0,1]=4 24 B11R1.16 CCN[C@@H](C)c1ccccc1 994b5b0b50363ecab1efd5b7f9e6d7cd [0,1,0,0,0,0|2,0,1]=4 25 B11R1.16 CCN[C@H](C)c1ccccc1 af432512ad94856da6ef9d44592c3502 [0,1,0,0,0,0|2,0,1]=4 26 B11R1.16 CCOC(C)c1ccccc1 37108e833ff536d25c550cb5b37c873d [0,1,0,0,0,0|1,0,1]=3 27 B11R1.16 CCOC(C)c1ccccn1 2349fef21e807c42cd2b612eadfb89fd [0,1,0,0,0,0|2,0,1]=4 28 B11R1.16 CCOC(C)c1cccnc1 9c9e8ee26a948f6734fe8bca4ac259d1 [0,1,0,0,0,0|2,0,1]=4 29 B11R1.16 CCOC(C)c1ccncc1 e4e418e4b9933d9ffab69561c2ee0b8d [0,1,0,0,0,0|2,0,1]=4 30 B11R1.16 CCO[C@@H](C)c1ccccc1 e4f11a13dd3f609e6f25ac3a3b969fe2 [0,1,0,0,0,0|1,0,1]=3 31 B11R1.16 CCO[C@@H](C)c1ccccn1 d31d85c16530817c2b81fb1a03fe7e57 [0,1,0,0,0,0|2,0,1]=4 32 B11R1.16 CCO[C@@H](C)c1cccnc1 4f79e80bc80f924c1d9263e4c7a80e48 [0,1,0,0,0,0|2,0,1]=4 33 B11R1.16 CCO[C@@H](C)c1ccncc1 10c7e45b7f2432aed0d2d85f0e9de43f [0,1,0,0,0,0|2,0,1]=4 34 B11R1.16 CCO[C@H](C)c1ccccc1 54694971b3853f962e687b61e7c698c1 [0,1,0,0,0,0|1,0,1]=3 35 B11R1.16 CCO[C@H](C)c1ccccn1 c768b24f1cd72ff8137851b753ae2d04 [0,1,0,0,0,0|2,0,1]=4 36 B11R1.16 CCO[C@H](C)c1cccnc1 cd637b20fb4bf525c6de41c7953f4069 [0,1,0,0,0,0|2,0,1]=4 37 B11R1.16 CCO[C@H](C)c1ccncc1 be826d73c7c9b4a2a044295b6bfe0a2c [0,1,0,0,0,0|2,0,1]=4 38 B11R1.16 CN(CCF)c1ccccc1 10541e2e32dac0db7a85ea44620c0e3e [0,1,0,0,0,0|3,0,0]=4 39 B11R1.16 CN(CCO)c1ccccc1 4b734b8d391d02ddf47f0308fb1d22c8 [0,1,0,0,0,0|3,0,0]=4 40 B11R1.16 COCN(C)c1ccccc1 6231e4bc9ebe3bdb02fd15faeb34634f [0,1,0,0,0,0|2,0,0]=3 41 B11R1.16 COCN(C)c1ccccn1 66cbdeedae67899dab62ab4e4b9abfe2 [0,1,0,0,0,0|3,0,0]=4 42 B11R1.16 COCN(C)c1cccnc1 eee1a900430cbd2ead764847823e4249 [0,1,0,0,0,0|3,0,0]=4 43 B11R1.16 COCN(C)c1ccncc1 844858b0bf6accc4b68ce8147d0d88ed [0,1,0,0,0,0|3,0,0]=4 44 B11R1.16 CSCN(C)c1ccccc1 6fe637e44a17092ac12098dbdcb5352f [0,1,0,0,0,0|2,1,0]=4 45 B11R1.16 C[C@@H](OCF)c1ccccc1 f6dc1405e5744871891f84657f997fd4 [0,1,0,0,0,0|1,0,1]=3 46 B11R1.16 C[C@@H](OCF)c1ccccn1 452563b793d445f90c7b5445d0861252 [0,1,0,0,0,0|2,0,1]=4 47 B11R1.16 C[C@@H](OCF)c1cccnc1 700f73ac95c9eff915753055610d6829 [0,1,0,0,0,0|2,0,1]=4 48 B11R1.16 C[C@@H](OCF)c1ccncc1 1ab9725f241037c368e977085ea4a520 [0,1,0,0,0,0|2,0,1]=4 49 B11R1.16 C[C@H](OCF)c1ccccc1 0bdd092ad3daed19f52c193b52481cfc [0,1,0,0,0,0|1,0,1]=3 50 B11R1.16 C[C@H](OCF)c1ccccn1 6ecec266ea2cccd56a91b2c7f7312784 [0,1,0,0,0,0|2,0,1]=4 51 B11R1.16 C[C@H](OCF)c1cccnc1 1642ade6f48ada445386d02dbd40b795 [0,1,0,0,0,0|2,0,1]=4 52 B11R1.16 C[C@H](OCF)c1ccncc1 1ba2b2d00b1ff65d044471b9d6a9a89a [0,1,0,0,0,0|2,0,1]=4 53 B11R1.16 N#CNC(=O)c1ccccc1 f968919af35f591f70d462dc16d787fc [0,1,0,0,0,0|1,0,1]=3 54 B11R1.16 N#CNC(=O)c1ccccn1 44d2e00cb0876a447fe7ca0e5dfa0092 [0,1,0,0,0,0|2,0,1]=4 55 B11R1.16 N#CNC(=O)c1cccnc1 c2b82d345410e46672bb9c640f03af28 [0,1,0,0,0,0|2,0,1]=4 56 B11R1.16 N#CNC(=O)c1ccncc1 dde9d92b87aad3cf8dd07b22dfcbdb4b [0,1,0,0,0,0|2,0,1]=4 57 B11R1.22 CCN(C)c1ccc(cc1)F 37e2d475a9bd3cfcf296a94fc69fd067 [0,1,0,0,0,0|3,0,0]=4 58 B11R1.22 CCN(C)c1ccc(cc1)I 6deef7aec400603f68eb68f0833942ec [0,1,0,0,0,0|3,0,0]=4 59 B11R1.22 CCN(C)c1ccc(cc1)S 429f96f94511567839fe68b5edd62f1c [0,1,0,0,0,0|3,0,0]=4 60 B11R1.23 CCN(C)c1cccc(c1)Br b9912e02c1f17bb41ebd144c9e9202ee [0,1,0,0,0,0|3,0,0]=4 61 B11R1.23 CCN(C)c1cccc(c1)F 430101ed975145c517dcbcb463820b73 [0,1,0,0,0,0|3,0,0]=4 62 B11R1.222 CCN(C)c1ccccc1C 9f04b12bb5b89a6592eb728905a01c8b [0,1,0,0,0,0|3,0,0]=4 63 B11R1.222 CCN(C)c1ccccc1F f232548c9b2f85032dbceb393dfbf769 [0,1,0,0,0,0|3,0,0]=4 64 B11R1.40 C#CC(=O)Nc1ccccn1 c1462a2e7dbd34f49e0ec8b0b6e4c099 [0,0,0,0,0,1|2,0,1]=4 65 B11R1.40 C#CC(=O)Nc1cccnc1 fede9ede802accf01a2dd7068bdd2f92 [0,0,0,0,0,1|2,0,1]=4 66 B11R1.40 C#CC(=O)Nc1ccncc1 7e9563fca94f65240a5e54094d485c14 [0,0,0,0,0,1|2,0,1]=4 67 B11R1.40 C=CC(=O)Nc1ccccc1 5f69a60f76bf8d4845a783c3048b2563 [0,0,0,0,0,1|1,0,1]=3 68 B11R1.40 C=CC(=O)Nc1ccccn1 34fef90711dfcaefc277492e72bbe936 [0,0,0,0,0,1|2,0,1]=4 69 B11R1.40 C=CC(=O)Nc1cccnc1 de5c772a8cda94a68da43551d49c0fce [0,0,0,0,0,1|2,0,1]=4 70 B11R1.40 C=CC(=O)Nc1ccncc1 415f0c78f33533c78fc6ab46a82fb4b2 [0,0,0,0,0,1|2,0,1]=4 71 B11R1.40 CCC(=O)Nc1ccccn1 5f642c62afae0a49ab875733e55fde1b [0,0,0,0,0,1|2,0,0]=3 72 B11R1.40 CCC(=O)Nc1cccnc1 3f3732eaee579e7903ad30638bf6459b [0,0,0,0,0,1|2,0,0]=3 73 B11R1.40 CCC(=O)Nc1cccnn1 591c7e40d773c7240b2e6c26eda21683 [0,0,0,0,0,1|3,0,0]=4 74 B11R1.40 CCC(=O)Nc1ccncn1 b77f302a19ddecbb1a61c216faedf774 [0,0,0,0,0,1|3,0,0]=4 75 B11R1.40 CCC(=O)Nc1cnccn1 e2ac897815fa11a06d867bf7943d000f [0,0,0,0,0,1|3,0,0]=4 76 B11R1.40 CCC(C)Nc1ccccc1 0d73dedeab1dd8f5149c3124f0b802dc [0,0,0,0,0,1|2,0,1]=4 77 B11R1.40 CCN(C)Cc1ccccc1 c214a7b7c23665abe56278baaf98348b [0,0,0,0,0,1|3,0,0]=4 78 B11R1.40 CC[C@@H](C)Nc1ccccc1 405a065880ecff40d5c3aba49f23a60f [0,0,0,0,0,1|2,0,1]=4 79 B11R1.40 CC[C@H](C)Nc1ccccc1 bdf0fca4eb541010d4b75cf2b0618571 [0,0,0,0,0,1|2,0,1]=4 80 B11R1.40 O=C(CF)Nc1ccccn1 2ce6af3846508f1cbf20b58b7e69e973 [0,0,0,0,0,1|3,0,0]=4 81 B11R1.40 O=C(CF)Nc1cccnc1 5e2dc67f59a0ee35b818f3c738a2672a [0,0,0,0,0,1|3,0,0]=4 82 B11R1.40 O=C(CO)Nc1ccccn1 ac93149c4969ed513b19c3eba5f007d7 [0,0,0,0,0,1|3,0,0]=4 83 B11R1.40 O=C(CO)Nc1cccnc1 c1618f12da4bc6c07033d2147d5e05a1 [0,0,0,0,0,1|3,0,0]=4 84 B11R1.40 O=C(CS)Nc1ccccn1 a5e554850131abc66cd7cf28616b9ec8 [0,0,0,0,0,1|3,0,0]=4 85 B11R1.40 O=CC(=O)Nc1ccccc1 d69489ae088f523aa236921a313e92a5 [0,0,0,0,0,1|2,0,0]=3 86 B11R1.40 O=CC(=O)Nc1ccccn1 9dee939f22a8949e3604743fdb4606fc [0,0,0,0,0,1|3,0,0]=4 87 B11R1.40 O=CC(=O)Nc1cccnc1 4483235651c46310384ecdfb83cf0459 [0,0,0,0,0,1|3,0,0]=4 88 B11R1.40 O=CC(=O)Nc1ccncc1 4b5bab6fe314b5f2251f228c60250dcd [0,0,0,0,0,1|3,0,0]=4 89 B10R0.83 C=CCOC=C(F)C(=O)OC 80815fd4b2db0422d13ef566c3ca8771 [0,1,1,0,0,0|1,0,1]=4 90 B10R0.83 C=CCOCC(=C)C(=O)OC c25487749e2240a5a91f37f2c1940025 [0,1,1,0,0,0|0,0,2]=4 91 B10R0.74 C=CCOC/C=C/C(=O)OC 432dcd1557658b8f12403efbf072adba [0,1,1,0,0,0|0,0,2]=4 92 B10R1.1 CCNc1ccc(cc1)Br e7368b650d842df07f1a9668bf0b4031 [1,1,0,0,0,0|2,0,0]=4 93 B10R1.1 CCNc1ccc(cc1)C 5bd280a2c0e051bd626f67ade06cc665 [1,1,0,0,0,0|2,0,0]=4 94 B10R1.1 CCNc1ccc(cc1)Cl 78a77ff2de1029463881d0096e3c40b4 [1,1,0,0,0,0|2,0,0]=4 95 B10R1.1 CCNc1ccc(cc1)F 7245e23faec7214139cc638d5d7041df [1,1,0,0,0,0|2,0,0]=4 96 B10R1.1 CCNc1ccc(cc1)I 08dbf719260fe2b9101a362dcb5b3f5c [1,1,0,0,0,0|2,0,0]=4 97 B10R1.1 CCNc1ccc(cc1)S d391e984cf82ddd3585ab73e3af8af78 [1,1,0,0,0,0|2,0,0]=4 98 B10R1.1 CCOc1ccc(cc1)Br 0e76a95a836dd2981a43d0b194227fd8 [1,1,0,0,0,0|2,0,0]=4 99 B10R1.1 CCOc1ccc(cc1)C 26efd14f9e8649940b64cdf1b3738f1b [1,1,0,0,0,0|2,0,0]=4 100 B10R1.1 CCOc1ccc(cc1)Cl 945eb2c259d4cb8905c1789c25d510a9 [1,1,0,0,0,0|2,0,0]=4 101 B10R1.1 CCOc1ccc(cc1)F 5faab7d15ff0cf2f779560e4d5e7448c [1,1,0,0,0,0|2,0,0]=4 102 B10R1.1 CCOc1ccc(cc1)I 53aa34317b2540d22d9ec7de628cac3d [1,1,0,0,0,0|2,0,0]=4 103 B10R1.1 CCOc1ccc(cc1)S 99269a211e814d9abbdc09864e525389 [1,1,0,0,0,0|2,0,0]=4 104 B10R1.4 CCNc1ccccc1Cl 2dfb513d252d373232906f5030075d40 [1,1,0,0,0,0|2,0,0]=4 105 B10R1.4 CCNc1ccccc1F 7ab2c72548cf5934972f59a05bcf3b98 [1,1,0,0,0,0|2,0,0]=4 106 B10R1.4 CCNc1ccccc1I a15e1e777d9cb3c3c67c713eae1f152f [1,1,0,0,0,0|2,0,0]=4 107 B10R1.4 CCOc1ccccc1C dc9ee1b6b8a241cf6f51757c9fedb385 [1,1,0,0,0,0|2,0,0]=4 108 B10R1.4 CCOc1ccccc1Cl 9b9ed61fe6629f2df6b1eaddc9ec2e8a [1,1,0,0,0,0|2,0,0]=4 109 B10R1.4 CCOc1ccccc1F 41f85306b1c4b7c4daecba5a00d66cce [1,1,0,0,0,0|2,0,0]=4 110 B10R1.4 CCOc1ccccc1I 3bfd90529c85539df6076f624de1f80d [1,1,0,0,0,0|2,0,0]=4 111 B10R1.10 CCNc1cccc(c1)Br 3559ffa0b462d1bd714cf3ca993ed95e [1,1,0,0,0,0|2,0,0]=4 112 B10R1.10 CCNc1cccc(c1)C 7e90094bdff0d2ffec0927834a6a088a [1,1,0,0,0,0|2,0,0]=4 113 B10R1.10 CCNc1cccc(c1)Cl e86c6a0dbdc5ec7691435dfb2bf0caac [1,1,0,0,0,0|2,0,0]=4 114 B10R1.10 CCNc1cccc(c1)F fb10d26ad355d9adf069631a680226b5 [1,1,0,0,0,0|2,0,0]=4 115 B10R1.10 CCNc1cccc(c1)I 9531fa5d8f78367f3126484c4e782fa9 [1,1,0,0,0,0|2,0,0]=4 116 B10R1.10 CCNc1cccc(c1)S a44d310b6eb926e6cc396b05b3cff23a [1,1,0,0,0,0|2,0,0]=4 117 B10R1.10 CCOc1cccc(c1)Br 59b0f5cf1b6eeed19f09ca4b10ff10f6 [1,1,0,0,0,0|2,0,0]=4 118 B10R1.10 CCOc1cccc(c1)C c484b8098bb494764323b4d807c3d871 [1,1,0,0,0,0|2,0,0]=4 119 B10R1.10 CCOc1cccc(c1)Cl 0302a2b3778df08595f07cb1f730b10b [1,1,0,0,0,0|2,0,0]=4 120 B10R1.10 CCOc1cccc(c1)F e3c752114bd9c3d3cb33513b156f9036 [1,1,0,0,0,0|2,0,0]=4 121 B10R1.10 CCOc1cccc(c1)I 0d8a8a4223f2d3d3697a5720204df0bd [1,1,0,0,0,0|2,0,0]=4 122 B10R1.10 CCOc1cccc(c1)S 0a6998f5983825c4343bcc0ed4a9090c [1,1,0,0,0,0|2,0,0]=4 123 B10R1.17 BrCCNc1ccccc1 08c39138e90dcc3ad4c25fdba0569b67 [1,1,0,0,0,0|2,0,0]=4 124 B10R1.17 CCCNc1ccccc1 b539dcf8361adb43cc5ffbb8617222f9 [1,1,0,0,0,0|1,0,1]=4 125 B10R1.17 CCNCc1ccccc1 b1285c6596ffdf0473a3780bf23df272 [1,1,0,0,0,0|1,0,1]=4 126 B10R1.17 CCOCc1ccccc1 551a24ad73c54bc42b4e27015fdb411f [1,1,0,0,0,0|0,0,1]=3 127 B10R1.17 CCOCc1ccccn1 0c63694580ac3136b3801886d248907b [1,1,0,0,0,0|1,0,1]=4 128 B10R1.17 CCOCc1cccnc1 5f09f824e7a9d5177841898d80553992 [1,1,0,0,0,0|1,0,1]=4 129 B10R1.17 CCOCc1ccncc1 1d1afe04b02325a5cf955e686c22ba10 [1,1,0,0,0,0|1,0,1]=4 130 B10R1.17 COCNc1ccccc1 6c62c6b48b6ce69fe29d4b52e03d5674 [1,1,0,0,0,0|0,0,1]=3 131 B10R1.17 COCNc1ccccn1 a7abef3468bc69aa80ea510854a664da [1,1,0,0,0,0|1,0,1]=4 132 B10R1.17 COCNc1cccnc1 06eb298a8599044156c09f99ea626504 [1,1,0,0,0,0|1,0,1]=4 133 B10R1.17 COCNc1ccncc1 cff9bc6476b5f7fb176472d400021849 [1,1,0,0,0,0|1,0,1]=4 134 B10R1.17 COCOc1ccccn1 20cd252a71a5a01c3e93af63053a4326 [1,1,0,0,0,0|1,0,1]=4 135 B10R1.17 COCOc1cccnc1 d9b37fb8d6b9f459b8606485db596791 [1,1,0,0,0,0|1,0,1]=4 136 B10R1.17 COCOc1ccncc1 18fbb570a0961cb423d27776329da350 [1,1,0,0,0,0|1,0,1]=4 137 B10R1.17 CSCNc1ccccc1 7a27a5c68b132b0ae36908396631930e [1,1,0,0,0,0|0,1,1]=4 138 B10R1.17 FCCNc1ccccc1 f275d2eb426a2818882d3c7dcacca572 [1,1,0,0,0,0|2,0,0]=4 139 B10R1.17 FCNCc1ccccc1 0dcd541b35f2d813e3bd4529f13aa61b [1,1,0,0,0,0|1,0,1]=4 140 B10R1.17 FCOCc1ccccc1 602c85a0828834d1798ab6d91c5aa92b [1,1,0,0,0,0|0,0,1]=3 141 B10R1.17 FCOCc1ccccn1 52de5aacdb8cde16edb0cbea31183c40 [1,1,0,0,0,0|1,0,1]=4 142 B10R1.17 FCOCc1cccnc1 d58467b55ec7fcb175961d4ef6210edb [1,1,0,0,0,0|1,0,1]=4 143 B10R1.17 FCOCc1ccncc1 90104d817a6745d762aa8ebc5bd6efa2 [1,1,0,0,0,0|1,0,1]=4 144 B10R1.17 ICCNc1ccccc1 2e8d29f41a7952c3a309dd8ce57744b3 [1,1,0,0,0,0|2,0,0]=4 145 B10R1.17 OCCNc1ccccc1 39a30f826fab6ed2b66a9ec4a9dddbdb [1,1,0,0,0,0|2,0,0]=4 146 B10R1.17 OCNCc1ccccc1 c4aaeb48f32c090af3c65531a6e27cd4 [1,1,0,0,0,0|1,0,1]=4 147 B10R1.17 SCCNc1ccccc1 9bbad99372906cf90d9dd5df1e41681f [1,1,0,0,0,0|2,0,0]=4 148 B10R1.18 CC(C)Nc1ccccc1 678b2595d663b993cd638fb4df86366a [1,1,0,0,0,0|2,0,0]=4 149 B12R1.32 C/C=C/C(=O)Nc1ccccc1 b9c2b2bab8539dcad71e0f1bcc0d5a7b [0,1,0,0,0,1|1,0,0]=3 150 B12R1.32 C/C=C/C(=O)Nc1ccccn1 fbe15365814713cb3247d141f6602b0f [0,1,0,0,0,1|2,0,0]=4 151 B12R1.32 C/C=C/C(=O)Nc1cccnc1 8cf296947079f8325abe699420205b81 [0,1,0,0,0,1|2,0,0]=4 152 B12R1.32 C/C=C/C(=O)Nc1ccncc1 d3f4c9e98c88e27822a3b9f2a12890a8 [0,1,0,0,0,1|2,0,0]=4 153 B12R1.32 C=CCC(=O)Nc1ccccc1 451f938fb966a6692f9501119d2a34ad [0,1,0,0,0,1|1,0,1]=4 154 B12R1.32 CC#CC(=O)Nc1ccccn1 902333397cccd0aa6462376c2fd0cbee [0,1,0,0,0,1|2,0,0]=4 155 B12R1.32 CC#CC(=O)Nc1cccnc1 93165a8795d8cfffad74427dec01bf55 [0,1,0,0,0,1|2,0,0]=4 156 B12R1.32 CC#CC(=O)Nc1ccncc1 fa3c34eb036f3f3352d0feb1a8ccfe88 [0,1,0,0,0,1|2,0,0]=4 157 B12R1.32 CCCC(=O)Nc1ccccn1 30e4202bb65eed068849d33fec5b876c [0,1,0,0,0,1|2,0,0]=4 158 B12R1.32 CCCC(=O)Nc1cccnc1 565344d4bc011d959128a96e7e1c2253 [0,1,0,0,0,1|2,0,0]=4 159 B12R1.32 CCOC(C)Cc1ccccc1 37a2c2b5ef50b1a7cf2088b7456e4451 [0,1,0,0,0,1|1,0,1]=4 160 B12R1.32 CCO[C@@H](C)Cc1ccccc1 19276107fa4d022850aeee4089dafd0c [0,1,0,0,0,1|1,0,1]=4 161 B12R1.32 CCO[C@H](C)Cc1ccccc1 2f8e91d1dc9d2f9667dcff63e87e082c [0,1,0,0,0,1|1,0,1]=4 162 B12R1.32 COCC(=O)Nc1ccccn1 f9e6fd9fc57ce0d213e8a8a98f19e960 [0,1,0,0,0,1|1,0,0]=3 163 B12R1.32 COCC(=O)Nc1cccnc1 e27fb687fb4d23b787105034a2444ccc [0,1,0,0,0,1|1,0,0]=3 164 B12R1.32 COCC(=O)Nc1cccnn1 0862870bff8404ca150710e27c042239 [0,1,0,0,0,1|2,0,0]=4 165 B12R1.32 COCC(=O)Nc1ccncn1 c2e885631268eb3b742a1e3e9d7be05b [0,1,0,0,0,1|2,0,0]=4 166 B12R1.32 COCC(=O)Nc1cnccn1 53a08f309f148348d2c2c0b882b82312 [0,1,0,0,0,1|2,0,0]=4 167 B12R1.32 COCC(C)Nc1ccccc1 918c3e9faef698920f78ca93350fda53 [0,1,0,0,0,1|1,0,1]=4 168 B12R1.32 COCN(C)Cc1ccccc1 4d05c3d6ddf3ecec9a6b681c1068023b [0,1,0,0,0,1|2,0,0]=4 169 B12R1.32 COC[C@@H](C)Nc1ccccc1 b6337fbd6f770477a80a235354ba550b [0,1,0,0,0,1|1,0,1]=4 170 B12R1.32 COC[C@H](C)Nc1ccccc1 6b0bb5bdf147fc56918f57a798a463a2 [0,1,0,0,0,1|1,0,1]=4 171 B12R1.32 CSCC(=O)Nc1ccccn1 2d7cc7e6303b185d13666b92f5dbb824 [0,1,0,0,0,1|1,1,0]=4 172 B12R1.32 NOCC(=O)Nc1ccccc1 c5d51d2b3f28976c6bd3c98cfe9f6a86 [0,1,0,0,0,1|1,0,0]=3 173 B12R1.32 NOCC(=O)Nc1ccccn1 01f8c142c35f9636d74e17b18eab065b [0,1,0,0,0,1|2,0,0]=4 174 B12R1.32 NOCC(=O)Nc1cccnc1 78afae84b30aabff037f46dfac5317d6 [0,1,0,0,0,1|2,0,0]=4 175 B12R1.32 NOCC(=O)Nc1ccncc1 32338b5a8a69b9472976dea4ef308a23 [0,1,0,0,0,1|2,0,0]=4 176 B12R1.32 O=C(/C=C/Br)Nc1ccccc1 92c7f3d57436960f176d052986c2a2e2 [0,1,0,0,0,1|1,0,1]=4 177 B12R1.32 O=C(/C=C/Cl)Nc1ccccc1 bb0b9b3a88b304515fa8c526107c3625 [0,1,0,0,0,1|1,0,1]=4 178 B12R1.32 O=C(/C=C/I)Nc1ccccc1 d8a8f97dca4abb25514c9a055253e119 [0,1,0,0,0,1|1,0,1]=4 179 B12R1.32 O=C(/C=C\Br)Nc1ccccc1 776fd333f2d22c19068e01efe5b83c76 [0,1,0,0,0,1|1,0,1]=4 180 B12R1.32 O=C(/C=C\Cl)Nc1ccccc1 c480f1890f14db221e610fb49af268bb [0,1,0,0,0,1|1,0,1]=4 181 B12R1.32 O=C(/C=C\I)Nc1ccccc1 71a6abfd35167f20eb1ed55ba75c05dd [0,1,0,0,0,1|1,0,1]=4 182 B12R1.32 O=C(C=CBr)Nc1ccccc1 626328bc468ff4a17ca9ef770e654be0 [0,1,0,0,0,1|1,0,1]=4 183 B12R1.32 O=C(C=CI)Nc1ccccc1 5d838b813492e319cee62c8bc51cf296 [0,1,0,0,0,1|1,0,1]=4 184 B12R1.32 O=C(CCF)Nc1ccccn1 ea4bc5548f168ed71070545911778e1d [0,1,0,0,0,1|2,0,0]=4 185 B12R1.32 O=C(CCF)Nc1cccnc1 27cc6ce3cafa0f7021060e23d63d84c4 [0,1,0,0,0,1|2,0,0]=4 186 B12R1.32 O=C(CCF)Nc1ccncc1 6c20c4b947431aaadc0dccf950c741d3 [0,1,0,0,0,1|2,0,0]=4 187 B12R1.32 O=C(CCO)Nc1ccccn1 21dc9f5a4df84121109c1b09cc607124 [0,1,0,0,0,1|2,0,0]=4 188 B12R1.32 O=C(CCO)Nc1cccnc1 99259424f2fd7eed4113ee6e569a0bc6 [0,1,0,0,0,1|2,0,0]=4 189 B12R1.32 O=C(CCS)Nc1ccccn1 e13765f0524ae0b0a39d40550d3f4621 [0,1,0,0,0,1|2,0,0]=4 190 B12R1.32 O=C(CCS)Nc1cccnc1 bad7c1c02fed6e2253543d520b84fc48 [0,1,0,0,0,1|2,0,0]=4 191 B12R1.32 O=CCC(=O)Nc1ccccc1 82edb9a4ff8811bb5cbe33bf24448e1c [0,1,0,0,0,1|1,0,1]=4 192 B12R1.34 C=CC(=O)N(C)c1ccccc1 8baca86d71e1f07fdf4903690f6dba66 [0,1,0,0,0,1|1,0,1]=4 193 B12R1.34 CCC(=O)N(C)c1ccccn1 cc0eb221a60406ee5f24214604bff618 [0,1,0,0,0,1|2,0,0]=4 194 B12R1.34 CCC(=O)N(C)c1cccnc1 793f92686f1ccbd2172f68787ec14c1e [0,1,0,0,0,1|2,0,0]=4 195 B12R1.34 CCC(=O)N(C)c1ccncc1 8c57e05d4e7da769fe950863d4417212 [0,1,0,0,0,1|2,0,0]=4 196 B12R1.34 CN(C(=O)C=O)c1ccccc1 1d97c61cccaaa710ce75e3fe903e984c [0,1,0,0,0,1|2,0,0]=4 197 B12R1.34 CN(C(=O)CO)c1ccccc1 92a87ead36fd016ea91f9e7ab45bfb02 [0,1,0,0,0,1|2,0,0]=4 198 B12R1.43 C=C(C)C(=O)Nc1ccccn1 52fd6fecf3a1135fc9da6c596542358b [0,1,0,0,0,1|2,0,0]=4 199 B12R1.43 C=C(C)C(=O)Nc1cccnc1 7ddd3f9f95ca11bda147a3d3eae678d2 [0,1,0,0,0,1|2,0,0]=4 200 B12R1.43 C=C(C)C(=O)Nc1ccncc1 a6503895f463ead4cfde686cd1ac4ab0 [0,1,0,0,0,1|2,0,0]=4 201 B12R1.43 CC(=O)C(=O)Nc1ccccn1 42204ec4ac911fab168279826217b2fd [0,1,0,0,0,1|2,0,0]=4 202 B12R1.43 CC(=O)C(=O)Nc1cccnc1 086af3aba20ae365b3dec827ae002166 [0,1,0,0,0,1|2,0,0]=4 203 B12R1.43 CC(=O)C(=O)Nc1ccncc1 3e894dd89d9bd96b684380f99830dbca [0,1,0,0,0,1|2,0,0]=4 204 B12R1.43 CC(F)C(=O)Nc1cccnc1 8e06904db02f28f8551a4c62cdb0567e [0,1,0,0,0,1|2,0,0]=4 205 B12R1.43 CC(O)C(=O)Nc1ccccn1 f1d6303cd0d3b7df7383a33060640cf2 [0,1,0,0,0,1|2,0,0]=4 206 B12R1.43 CC(O)C(=O)Nc1cccnc1 a6d8461b9d4871e9e14a4c125c563fab [0,1,0,0,0,1|2,0,0]=4 207 B12R1.43 CC(O)C(=O)Nc1ccncc1 5f38f891f7bf86acd8ff4507d609ca19 [0,1,0,0,0,1|2,0,0]=4 208 B12R1.43 CC(S)C(=O)Nc1ccccn1 6d0c7c3706380b1cb2cf4c87c48e0868 [0,1,0,0,0,1|2,0,0]=4 209 B12R1.43 CC(S)C(=O)Nc1cccnc1 b6b76bef58796b77c7a1a29b3613d6b6 [0,1,0,0,0,1|2,0,0]=4 210 B12R1.43 CC(S)C(=O)Nc1ccncc1 340d8d7c6f5a85df6b13c5f339034dcb [0,1,0,0,0,1|2,0,0]=4 211 B12R1.43 C[C@@H](F)C(=O)Nc1cccnc1 b1353115539c393aa2db2fafcea74748 [0,1,0,0,0,1|2,0,0]=4 212 B12R1.43 C[C@@H](O)C(=O)Nc1ccccn1 20404072193521e4c24d9cd80d7ff514 [0,1,0,0,0,1|2,0,0]=4 213 B12R1.43 C[C@@H](O)C(=O)Nc1cccnc1 1f46b38a6f9fc93718ab3b927f346130 [0,1,0,0,0,1|2,0,0]=4 214 B12R1.43 C[C@@H](O)C(=O)Nc1ccncc1 196aea65f4f06495d0e80a2672b6d60d [0,1,0,0,0,1|2,0,0]=4 215 B12R1.43 C[C@H](F)C(=O)Nc1cccnc1 83b362882ee5612e2ec945e60b0e5b9c [0,1,0,0,0,1|2,0,0]=4 216 B12R1.43 C[C@H](O)C(=O)Nc1ccccn1 10afc9763efda53effac1a6da94c3576 [0,1,0,0,0,1|2,0,0]=4 217 B12R1.43 C[C@H](O)C(=O)Nc1cccnc1 ec61428d6808a30af6e5a1bbccc688ed [0,1,0,0,0,1|2,0,0]=4 218 B12R1.43 C[C@H](O)C(=O)Nc1ccncc1 d03198d60543ea33e6296ae8259bf97a [0,1,0,0,0,1|2,0,0]=4 219 B12R1.49 C#CC(=O)Nc1ccc(cc1)C ace77eb590c7a9e38589e3663e368373 [0,1,0,0,0,1|1,0,1]=4 220 B12R1.49 C#CC(=O)Nc1ccc(cc1)F 9ff37543b1e255de7bc1a5bea6369b0c [0,1,0,0,0,1|1,0,1]=4 221 B12R1.49 C#CC(=O)Nc1ccc(cc1)I a513f84544e8c665d559733003b7b511 [0,1,0,0,0,1|1,0,1]=4 222 B12R1.49 C#CC(=O)Nc1ccc(cc1)O 2919883b2a2b3f4cd41342ad4259b466 [0,1,0,0,0,1|1,0,1]=4 223 B12R1.49 C#CC(=O)Nc1ccc(cc1)S 782ce90740b106c0d6e3248ef3a27009 [0,1,0,0,0,1|1,0,1]=4 224 B12R1.49 C=CC(=O)Nc1ccc(cc1)Br 6cecec7955feef2076bf8351c0460270 [0,1,0,0,0,1|1,0,1]=4 225 B12R1.49 C=CC(=O)Nc1ccc(cc1)C 2bb9c415f93b91b1fc81d811241ce339 [0,1,0,0,0,1|1,0,1]=4 226 B12R1.49 C=CC(=O)Nc1ccc(cc1)Cl 52f6038791beadcf2443ea721c275a78 [0,1,0,0,0,1|1,0,1]=4 227 B12R1.49 C=CC(=O)Nc1ccc(cc1)F 705a7bd65ef53db87c3ccc3667181fd2 [0,1,0,0,0,1|1,0,1]=4 228 B12R1.49 C=CC(=O)Nc1ccc(cc1)I 33b107a2733fcd228990a0271285ccb8 [0,1,0,0,0,1|1,0,1]=4 229 B12R1.49 C=CC(=O)Nc1ccc(cc1)O 4e8fbb1ed030dd9d83f4fcdb7e73d74f [0,1,0,0,0,1|1,0,1]=4 230 B12R1.49 C=CC(=O)Nc1ccc(cc1)S aee5e347f86bd4454672bdd2818d9731 [0,1,0,0,0,1|1,0,1]=4 231 B12R1.49 CCC(=O)Nc1ccc(cc1)C 79f85c340b8d9f58b49d7b6f9a8dfc11 [0,1,0,0,0,1|1,0,0]=3 232 B12R1.49 CCC(=O)Nc1ccc(cc1)F 83296be78013d22bde288706294cc3c2 [0,1,0,0,0,1|1,0,0]=3 233 B12R1.49 CCC(=O)Nc1ccc(cc1)I ea4449478b305bcdf4993b64150ff83b [0,1,0,0,0,1|1,0,0]=3 234 B12R1.49 CCC(=O)Nc1ccc(cc1)S 16412742e86774c316b42ab9bc2f75dc [0,1,0,0,0,1|1,0,0]=3 235 B12R1.49 CCC(=O)Nc1ccc(cn1)C dc8f930a05abd2a9e068e6a02b9ef806 [0,1,0,0,0,1|2,0,0]=4 236 B12R1.49 CCC(=O)Nc1ccc(cn1)Cl 0b839e794f2c1bf7425f5ed24378f3db [0,1,0,0,0,1|2,0,0]=4 237 B12R1.49 CCC(=O)Nc1ccc(cn1)F b43a76b39a00c0ed1f501a2e3d3ad7c0 [0,1,0,0,0,1|2,0,0]=4 238 B12R1.49 CCC(=O)Nc1ccc(cn1)I ccc68c0ad462881fdefbf82d4a878bdb [0,1,0,0,0,1|2,0,0]=4 239 B12R1.49 CCC(=O)Nc1ccc(cn1)O 5923874205a8d7f3bceda9e8b97faed2 [0,1,0,0,0,1|2,0,0]=4 240 B12R1.49 Cc1ccc(cc1)NC(=O)C=O 8b3e573e7a74e87e746c2bc81ca07e70 [0,1,0,0,0,1|2,0,0]=4 241 B12R1.49 O=C(CF)Nc1ccc(cc1)S ffd007f6d429c4cc01bc35a0a9bc0c4b [0,1,0,0,0,1|2,0,0]=4 242 B12R1.49 O=C(CO)Nc1ccc(cc1)S 1f7438a0d638af8df2912f2825545a62 [0,1,0,0,0,1|2,0,0]=4 243 B12R1.49 O=C(CS)Nc1ccc(cc1)S dd44512130a111ab4104d09216220ff1 [0,1,0,0,0,1|2,0,0]=4 244 B12R1.49 O=CC(=O)Nc1ccc(cc1)Br fc5a95154d25e5b30033e4955486052d [0,1,0,0,0,1|2,0,0]=4 245 B12R1.49 O=CC(=O)Nc1ccc(cc1)Cl 681dbcba30adac27f90acb5611705f13 [0,1,0,0,0,1|2,0,0]=4 246 B12R1.49 O=CC(=O)Nc1ccc(cc1)F 52ce11eaba00fcec9a2f58fdbba6fe7e [0,1,0,0,0,1|2,0,0]=4 247 B12R1.49 O=CC(=O)Nc1ccc(cc1)I 3baa48a55426055740ecacff89a9f6a4 [0,1,0,0,0,1|2,0,0]=4 248 B12R1.49 O=CC(=O)Nc1ccc(cc1)O 0ba7f76c16b99887af7eca1898068955 [0,1,0,0,0,1|2,0,0]=4 249 B12R1.49 O=CC(=O)Nc1ccc(cc1)S 4c0e76f97aa43d9cd9065d3d4295f4e7 [0,1,0,0,0,1|2,0,0]=4 250 B12R1.50 C#CC(=O)Nc1cccc(c1)C 990cde613fc44142fd3c262287a1d5fb [0,1,0,0,0,1|1,0,1]=4 251 B12R1.50 C#CC(=O)Nc1cccc(c1)F e07d278a8b9f81e88644dae8c3eca570 [0,1,0,0,0,1|1,0,1]=4 252 B12R1.50 C#CC(=O)Nc1cccc(c1)I 46953a16818597d9de6703dfae8e21dc [0,1,0,0,0,1|1,0,1]=4 253 B12R1.50 C#CC(=O)Nc1cccc(c1)O 9f8a391acf2759b94c22fb050a667109 [0,1,0,0,0,1|1,0,1]=4 254 B12R1.50 C=CC(=O)Nc1cccc(c1)Br ae7d338e2314c4ff20be4f2d3adaaf4c [0,1,0,0,0,1|1,0,1]=4 255 B12R1.50 C=CC(=O)Nc1cccc(c1)C d548557b52a2efa30bffb47407de5415 [0,1,0,0,0,1|1,0,1]=4 256 B12R1.50 C=CC(=O)Nc1cccc(c1)Cl 40b33d2eaa3c4b0314b4d7740643bcdb [0,1,0,0,0,1|1,0,1]=4 257 B12R1.50 C=CC(=O)Nc1cccc(c1)F 9a1061206f885ff17b5dc379c028a769 [0,1,0,0,0,1|1,0,1]=4 258 B12R1.50 C=CC(=O)Nc1cccc(c1)I f5b91dcb8db600717056b8fbd7908800 [0,1,0,0,0,1|1,0,1]=4 259 B12R1.50 C=CC(=O)Nc1cccc(c1)O d9903fc4cc32bb7c205c89ad1773e260 [0,1,0,0,0,1|1,0,1]=4 260 B12R1.50 C=CC(=O)Nc1cccc(c1)S 0c45d1da054c5005e04c5adcecedaf9c [0,1,0,0,0,1|1,0,1]=4 261 B12R1.50 CCC(=O)Nc1cc(ccn1)C 1d7618afde375adfefdf9c2f31bd2fff [0,1,0,0,0,1|2,0,0]=4 262 B12R1.50 CCC(=O)Nc1cc(ccn1)F 071ca5d5cb017f5428577b7f6f2325a4 [0,1,0,0,0,1|2,0,0]=4 263 B12R1.50 CCC(=O)Nc1cc(ccn1)I ed1af49da25b4ff26af26ab88386335c [0,1,0,0,0,1|2,0,0]=4 264 B12R1.50 CCC(=O)Nc1cc(ccn1)O 1ef353f8b050760708e15292ba91a44f [0,1,0,0,0,1|2,0,0]=4 265 B12R1.50 CCC(=O)Nc1cccc(c1)C 2737599ddde5d8177973ef2c3a29d8a7 [0,1,0,0,0,1|1,0,0]=3 266 B12R1.50 CCC(=O)Nc1cccc(c1)F b1eed650df5e4ef8132194c2d238c576 [0,1,0,0,0,1|1,0,0]=3 267 B12R1.50 CCC(=O)Nc1cccc(c1)I 1adeed8de106dd6458bcd0d4c0edd210 [0,1,0,0,0,1|1,0,0]=3 268 B12R1.50 CCC(=O)Nc1cccc(n1)Br 27772a7bec8101cb78b370fa187d7d34 [0,1,0,0,0,1|2,0,0]=4 269 B12R1.50 CCC(=O)Nc1cccc(n1)C c18f1db6e12597c615253b10018a94d5 [0,1,0,0,0,1|2,0,0]=4 270 B12R1.50 CCC(=O)Nc1cccc(n1)F adb6fdf4007aa5fb64c5e5a46fdb6282 [0,1,0,0,0,1|2,0,0]=4 271 B12R1.50 CCC(=O)Nc1cccc(n1)I 2300ab8efeecab12bf80c9c9edadcebb [0,1,0,0,0,1|2,0,0]=4 272 B12R1.50 CCC(=O)Nc1ccnc(c1)F cf3c4ce4e13df3544c869c1dd8b2eb4f [0,1,0,0,0,1|2,0,0]=4 273 B12R1.50 CCC(=O)Nc1cncc(c1)C 21e21d64112d09411195a515e811a408 [0,1,0,0,0,1|2,0,0]=4 274 B12R1.50 CCC(=O)Nc1cncc(c1)F 69803880a3613863f28494a1cb8e0638 [0,1,0,0,0,1|2,0,0]=4 275 B12R1.50 Cc1cccc(c1)NC(=O)C=O 04381f8f7ac23bd03987503a439afe38 [0,1,0,0,0,1|2,0,0]=4 276 B12R1.50 O=C(CF)Nc1cccc(c1)I 25ec579d5e70890d6761642879a84416 [0,1,0,0,0,1|2,0,0]=4 277 B12R1.50 O=C(CO)Nc1cccc(c1)I b9f53ca927845b9cf845279d5be47e9f [0,1,0,0,0,1|2,0,0]=4 278 B12R1.50 O=CC(=O)Nc1cccc(c1)Br 0b4d429061eefcff1344b8d5ae8afff5 [0,1,0,0,0,1|2,0,0]=4 279 B12R1.50 O=CC(=O)Nc1cccc(c1)Cl 63429975e665bf674ac66611a432dda3 [0,1,0,0,0,1|2,0,0]=4 280 B12R1.50 O=CC(=O)Nc1cccc(c1)F 9d11cf99004061f4a772307f1c1aff3e [0,1,0,0,0,1|2,0,0]=4 281 B12R1.50 O=CC(=O)Nc1cccc(c1)I 4b62538f6251945ca73e3de6c44c610f [0,1,0,0,0,1|2,0,0]=4 282 B12R1.50 O=CC(=O)Nc1cccc(c1)O 9b1fdea8e7c547705fd265adf6658af8 [0,1,0,0,0,1|2,0,0]=4 283 B12R1.50 O=CC(=O)Nc1cccc(c1)S 31c8e468e4a29d9e0cb8e8f730db1296 [0,1,0,0,0,1|2,0,0]=4 284 B12R1.118 CCC(C=O)Nc1ccccc1 8973b461ada5e90cb6534721bdd5a0a6 [0,1,0,0,0,1|1,0,1]=4 285 B12R1.118 CCN(C=O)Cc1ccccc1 05bd4b36907bafd365c275012bc499e0 [0,1,0,0,0,1|2,0,0]=4 286 B12R1.371 C#CC(=O)Nc1ccccc1C b91e1644d00756e8c1337eeb17cc24a5 [0,1,0,0,0,1|1,0,1]=4 287 B12R1.371 C#CC(=O)Nc1ccccc1Cl c78207947dbfada5444a12a69195c94b [0,1,0,0,0,1|1,0,1]=4 288 B12R1.371 C#CC(=O)Nc1ccccc1F b10c26f7c2a087670a84457a879ff228 [0,1,0,0,0,1|1,0,1]=4 289 B12R1.371 C#CC(=O)Nc1ccccc1I 2f041279ada685fe17d26ce867ab665d [0,1,0,0,0,1|1,0,1]=4 290 B12R1.371 C#CC(=O)Nc1ccccc1O 2b944ad132dd387d3a4eaba76c3e95c3 [0,1,0,0,0,1|1,0,1]=4 291 B12R1.371 C#CC(=O)Nc1ccccc1S f9887ccb9996be282cea93caa62b7b21 [0,1,0,0,0,1|1,0,1]=4 292 B12R1.371 C=CC(=O)Nc1ccccc1Br e5d1f40bbb3972cd234b3d1559f149fb [0,1,0,0,0,1|1,0,1]=4 293 B12R1.371 C=CC(=O)Nc1ccccc1C acb3e10026991d61c64ba4069b9746f5 [0,1,0,0,0,1|1,0,1]=4 294 B12R1.371 C=CC(=O)Nc1ccccc1Cl 4977f0e6a6edb54dfe74c87f87185b5c [0,1,0,0,0,1|1,0,1]=4 295 B12R1.371 C=CC(=O)Nc1ccccc1F dbb2194c0b6b7ae61906b5bef156a80b [0,1,0,0,0,1|1,0,1]=4 296 B12R1.371 C=CC(=O)Nc1ccccc1I 1d2658ab33296a9656a08882644409fe [0,1,0,0,0,1|1,0,1]=4 297 B12R1.371 C=CC(=O)Nc1ccccc1O 9447ec7b0f9e158ab19bcffe70be1362 [0,1,0,0,0,1|1,0,1]=4 298 B12R1.371 C=CC(=O)Nc1ccccc1S 2b5292e4efc934dbb57e5219724c1b78 [0,1,0,0,0,1|1,0,1]=4 299 B12R1.371 CCC(=O)Nc1ccccc1Br 768a716ead2b99051a9616fb85a27937 [0,1,0,0,0,1|1,0,0]=3 300 B12R1.371 CCC(=O)Nc1ccccc1C 763387b0d89cfb82380d583a59f5a861 [0,1,0,0,0,1|1,0,0]=3 301 B12R1.371 CCC(=O)Nc1ccccc1Cl ef4576d4235b2be875b9c3bf387d3b96 [0,1,0,0,0,1|1,0,0]=3 302 B12R1.371 CCC(=O)Nc1ccccc1F faf1e60044081b206d26fc7146a1b9c6 [0,1,0,0,0,1|1,0,0]=3 303 B12R1.371 CCC(=O)Nc1ccccc1I 6553c7d43a126e629b0ccc3f1bd07b65 [0,1,0,0,0,1|1,0,0]=3 304 B12R1.371 CCC(=O)Nc1ccccc1O 6ec8129c7301f0a0a7cf43011d0730d5 [0,1,0,0,0,1|1,0,0]=3 305 B12R1.371 CCC(=O)Nc1ccccc1S 8fc39cf448fefd509c3c8b231a29d58a [0,1,0,0,0,1|1,0,0]=3 306 B12R1.371 CCC(=O)Nc1cccnc1C c899eb18d125ae79bda304f5d5a21c7b [0,1,0,0,0,1|2,0,0]=4 307 B12R1.371 CCC(=O)Nc1cccnc1Cl 504799db27d77759ea429fe3e29372ed [0,1,0,0,0,1|2,0,0]=4 308 B12R1.371 CCC(=O)Nc1cccnc1F 3a1d9f0154b79f07a219d52e90956681 [0,1,0,0,0,1|2,0,0]=4 309 B12R1.371 CCC(=O)Nc1cccnc1I f2f440152264654586a2b957dcb4b212 [0,1,0,0,0,1|2,0,0]=4 310 B12R1.371 CCC(=O)Nc1cccnc1O 33d60c9193c0358f5a8fde8536d66839 [0,1,0,0,0,1|2,0,0]=4 311 B12R1.371 CCC(=O)Nc1ccncc1Br a7a337fa2944d74a723407969db3425d [0,1,0,0,0,1|2,0,0]=4 312 B12R1.371 CCC(=O)Nc1ccncc1C cdc3b80a45179f2057f4eb28d828733a [0,1,0,0,0,1|2,0,0]=4 313 B12R1.371 CCC(=O)Nc1ccncc1F 0bcc06655d92cc85b4b8034f080d9722 [0,1,0,0,0,1|2,0,0]=4 314 B12R1.371 CCC(=O)Nc1ccncc1I 6bd5e4b36593d6512d0a0c13541830a4 [0,1,0,0,0,1|2,0,0]=4 315 B12R1.371 CCC(=O)Nc1cnccc1Br 2240966fc3891303f48effa49314790d [0,1,0,0,0,1|2,0,0]=4 316 B12R1.371 CCC(=O)Nc1cnccc1C 822967991038a28cb81ff791ee4b01f5 [0,1,0,0,0,1|2,0,0]=4 317 B12R1.371 CCC(=O)Nc1cnccc1F c62e530a992b49fefb4884ec1a4eae0b [0,1,0,0,0,1|2,0,0]=4 318 B12R1.371 CCC(=O)Nc1cnccc1I 292ea2d8a1c3a71cd590b6a4235753ef [0,1,0,0,0,1|2,0,0]=4 319 B12R1.371 CCC(=O)Nc1cnccc1O 77450b4559bbbe6b1eb49213492a6811 [0,1,0,0,0,1|2,0,0]=4 320 B12R1.371 CCC(=O)Nc1ncccc1C 08162a93be74e234a8d34a116e1eac3e [0,1,0,0,0,1|2,0,0]=4 321 B12R1.371 CCC(=O)Nc1ncccc1Cl aacdd242732d8c965daa972387dd7385 [0,1,0,0,0,1|2,0,0]=4 322 B12R1.371 CCC(=O)Nc1ncccc1F c96d0a3f1ebdfee8b3c2bcabce3856b8 [0,1,0,0,0,1|2,0,0]=4 323 B12R1.371 CCC(=O)Nc1ncccc1I 83e04c5a3f8edfaf43da6043d82f3360 [0,1,0,0,0,1|2,0,0]=4 324 B12R1.371 CCC(=O)Nc1ncccc1O de54eaf563ec1a1ce716ae7819d5be4e [0,1,0,0,0,1|2,0,0]=4 325 B12R1.371 Cc1ccccc1NC(=O)C=O c48e8fd2ba5e58f34d83735c8fa1debf [0,1,0,0,0,1|2,0,0]=4 326 B12R1.371 Cc1ccccc1NC(=O)CO 8d990dc3b3796a0c64c8b86b8490eb78 [0,1,0,0,0,1|2,0,0]=4 327 B12R1.371 O=C(CF)Nc1ccccc1F 2343ed0f0efb551eb96b6eb74ee1c5ec [0,1,0,0,0,1|2,0,0]=4 328 B12R1.371 O=C(CF)Nc1ccccc1I 91e304ac9ca5a0491b0a3dc3a0a5ef4e [0,1,0,0,0,1|2,0,0]=4 329 B12R1.371 O=C(CF)Nc1ccccc1O 9f0a34d95f343e3a8433cd838540d60c [0,1,0,0,0,1|2,0,0]=4 330 B12R1.371 O=C(CF)Nc1ccccc1S e27a27679988121b48c3f3c5bfc51b98 [0,1,0,0,0,1|2,0,0]=4 331 B12R1.371 O=C(CO)Nc1ccccc1F d20a35cb403e68671e72a0dd460c0485 [0,1,0,0,0,1|2,0,0]=4 332 B12R1.371 O=C(CO)Nc1ccccc1I 209ecbfb2e84cc7bc62f1762ecc4331e [0,1,0,0,0,1|2,0,0]=4 333 B12R1.371 O=C(CO)Nc1ccccc1O e8a188e3771eae8a4a1eca1b4e42b466 [0,1,0,0,0,1|2,0,0]=4 334 B12R1.371 O=C(CO)Nc1ccccc1S e3384ae87fb80eb0958c847fa331a653 [0,1,0,0,0,1|2,0,0]=4 335 B12R1.371 O=C(CS)Nc1ccccc1I b9dbdf95d505aceb18ed2418e28753aa [0,1,0,0,0,1|2,0,0]=4 336 B12R1.371 O=CC(=O)Nc1ccccc1Br 7058336679ba69d39674b3c86c28e3f9 [0,1,0,0,0,1|2,0,0]=4 337 B12R1.371 O=CC(=O)Nc1ccccc1Cl 9a72d75ca46083d23b6f52a31e240aa0 [0,1,0,0,0,1|2,0,0]=4 338 B12R1.371 O=CC(=O)Nc1ccccc1F 1f81a01759afe8571b5912fad33207bb [0,1,0,0,0,1|2,0,0]=4 339 B12R1.371 O=CC(=O)Nc1ccccc1I 673328a9d4095e886bbc6b7e908b5522 [0,1,0,0,0,1|2,0,0]=4 340 B12R1.371 O=CC(=O)Nc1ccccc1O e415f0146d0743efb0d7d2314f6f490f [0,1,0,0,0,1|2,0,0]=4 341 B12R1.371 O=CC(=O)Nc1ccccc1S 26651d9294816246534bfb73b52fa2e9 [0,1,0,0,0,1|2,0,0]=4 342 B12R1.39 CC(C)(OCF)c1ccccc1 4b3fad123409f56f69ec037047272502 [0,2,0,0,0,0|1,0,1]=4 343 B12R1.39 CCOC(C)(C)c1ccccc1 5bcc79794e808b87e35ba44c1bb3e6b7 [0,2,0,0,0,0|1,0,1]=4 344 B12R1.3 C#CC(OCC)c1ccccc1 c9e222a07b1334c71e039de024517831 [0,2,0,0,0,0|1,0,1]=4 345 B12R1.3 C#CC(OCF)c1ccccc1 2fa7e76e82117aff64b2ec00c6359677 [0,2,0,0,0,0|1,0,1]=4 346 B12R1.3 C#C[C@@H](OCC)c1ccccc1 ab36c1d59184fd317cb3013d853a5671 [0,2,0,0,0,0|1,0,1]=4 347 B12R1.3 C#C[C@@H](OCF)c1ccccc1 c3e68c5845d9335e4c9c4bd259697e43 [0,2,0,0,0,0|1,0,1]=4 348 B12R1.3 C#C[C@H](OCC)c1ccccc1 1101319a2e49d14a6eed62e76a43a592 [0,2,0,0,0,0|1,0,1]=4 349 B12R1.3 C#C[C@H](OCF)c1ccccc1 7ab26044a9cbad59f1b486eaa66d832b [0,2,0,0,0,0|1,0,1]=4 350 B12R1.3 C=CC(OCC)c1ccccc1 6bde42162b5d4c427a68bf4a10c8d095 [0,2,0,0,0,0|1,0,1]=4 351 B12R1.3 C=CC(OCF)c1ccccc1 5f73c1e6e0711249ad6cf93a7f337460 [0,2,0,0,0,0|1,0,1]=4 352 B12R1.3 CCC(NC=O)c1ccccc1 f35c5a1e32ab8921cb0fd5e08b4f1f33 [0,2,0,0,0,0|1,0,1]=4 353 B12R1.3 CCC(OCF)c1ccccc1 5b485d5efcd72f947d8121a70246c978 [0,2,0,0,0,0|1,0,1]=4 354 B12R1.3 CCCN(C=O)c1ccccc1 dd84a45c645f807d0c332ade8b13b5fc [0,2,0,0,0,0|2,0,0]=4 355 B12R1.3 CCN(CC=O)c1ccccc1 009c4a484e3ac4577aa247993a08c21a [0,2,0,0,0,0|2,0,0]=4 356 B12R1.3 CCOC(C#N)c1ccccc1 805d27e9f4caf999dbaee63bd249473f [0,2,0,0,0,0|1,0,1]=4 357 B12R1.3 CCOC(CC)c1ccccc1 1d12b3cd8d8b35a196d78ca3c83b16b1 [0,2,0,0,0,0|1,0,1]=4 358 B12R1.3 CCOC(CF)c1ccccc1 bb8f7d948231fd3c336c5958e3d5f3d1 [0,2,0,0,0,0|1,0,1]=4 359 B12R1.3 CCO[C@@H](C#N)c1ccccc1 f112c502298ec98341142ef676ad95e1 [0,2,0,0,0,0|1,0,1]=4 360 B12R1.3 CCO[C@@H](CC)c1ccccc1 ff776a615b7682f9fc21ac29a916a75c [0,2,0,0,0,0|1,0,1]=4 361 B12R1.3 CCO[C@H](CC)c1ccccc1 126bf67ce7412ce4ee019181c066a374 [0,2,0,0,0,0|1,0,1]=4 362 B12R1.3 CCO[C@H](CF)c1ccccc1 7dd160e9e223f7bf78a48ff1b17e143c [0,2,0,0,0,0|1,0,1]=4 363 B12R1.3 CC[C@@H](NC=O)c1ccccc1 ebbf73246fa5e055d14598ff73ee74b9 [0,2,0,0,0,0|1,0,1]=4 364 B12R1.3 CC[C@@H](OCF)c1ccccc1 307e9d28b5193485842cb584d1b5a35a [0,2,0,0,0,0|1,0,1]=4 365 B12R1.3 CC[C@H](NC=O)c1ccccc1 5b95454d2846027c7fee198531e3fbcd [0,2,0,0,0,0|1,0,1]=4 366 B12R1.3 CC[C@H](OCF)c1ccccc1 ee9c70fcb8cc52ab67267daa0fab1c73 [0,2,0,0,0,0|1,0,1]=4 367 B12R1.3 COCN(C#N)c1ccccc1 87a980f08102a0f2b1726c41ff2f41d9 [0,2,0,0,0,0|2,0,0]=4 368 B12R1.3 FCOC(CF)c1ccccc1 e8fe0e4aad5be8f3a99471fec3f8b5fe [0,2,0,0,0,0|1,0,1]=4 369 B12R1.3 FCO[C@H](CF)c1ccccc1 45e7d0441fac00b521f5a76542de6b8f [0,2,0,0,0,0|1,0,1]=4 370 B12R1.3 N#CC(OCF)c1ccccc1 93318d744c7b2c4359f3cad01cdd3b48 [0,2,0,0,0,0|1,0,1]=4 371 B12R1.3 N#C[C@H](OCF)c1ccccc1 29429bb9b7be9e0ca0101546c4b4678f [0,2,0,0,0,0|1,0,1]=4 372 B12R1.3 O=CN(CCF)c1ccccc1 cecc898c90ae32628e1e22021418ffd8 [0,2,0,0,0,0|2,0,0]=4 373 B12R1.3 O=CN(CCO)c1ccccc1 2cfbca70005c73b7e0b1c55ae8b1e4cf [0,2,0,0,0,0|2,0,0]=4 374 B12R1.12 CCN(C=O)c1ccc(cc1)Br a298ab7cad35aa1ec2d94ab133616023 [0,2,0,0,0,0|2,0,0]=4 375 B12R1.12 CCN(C=O)c1ccc(cc1)C eaf836ea6b842ec93e8182af29d7c16a [0,2,0,0,0,0|2,0,0]=4 376 B12R1.12 CCN(C=O)c1ccc(cc1)Cl 6d7f2c41f258ac2893043fece93c0214 [0,2,0,0,0,0|2,0,0]=4 377 B12R1.12 CCN(C=O)c1ccc(cc1)F 2859b23023e695a7ae2c4fbb44ca5434 [0,2,0,0,0,0|2,0,0]=4 378 B12R1.12 CCN(C=O)c1ccc(cc1)O d72c28d8849a639167bd91dd366b00c8 [0,2,0,0,0,0|2,0,0]=4 379 B12R1.13 CCN(C=O)c1cccc(c1)Br b09102eb19d6ee0066ff9da9f16802ad [0,2,0,0,0,0|2,0,0]=4 380 B12R1.13 CCN(C=O)c1cccc(c1)C 66edc5dcca08cc518c8d4208c202e614 [0,2,0,0,0,0|2,0,0]=4 381 B12R1.13 CCN(C=O)c1cccc(c1)Cl f1280dfd687af0662c8c7fc9e5804186 [0,2,0,0,0,0|2,0,0]=4 382 B12R1.13 CCN(C=O)c1cccc(c1)F ad8cef72c1f5d6136c2febaf674d8a33 [0,2,0,0,0,0|2,0,0]=4 383 B12R1.13 CCN(C=O)c1cccc(c1)O c24e9df2171a902944c8ed7e8a9c39cb [0,2,0,0,0,0|2,0,0]=4 384 B12R1.243 CCN(C=O)c1ccccc1Br 73f4c91f77b803e18289ea62f9f13e02 [0,2,0,0,0,0|2,0,0]=4 385 B12R1.243 CCN(C=O)c1ccccc1C 501349ea0d18ad0cf5fb9654d3271030 [0,2,0,0,0,0|2,0,0]=4 386 B12R1.243 CCN(C=O)c1ccccc1Cl fb9903b4c38df435792122a814bcd691 [0,2,0,0,0,0|2,0,0]=4 387 B12R1.243 CCN(C=O)c1ccccc1F c4fad30ba83c3c1c333ea47b8f9f6366 [0,2,0,0,0,0|2,0,0]=4 388 B12R1.243 CCN(C=O)c1ccccc1O 816b767689b3d33145efa1da1f0cf5f3 [0,2,0,0,0,0|2,0,0]=4 389 B12R1.16 CC(OCF)c1ccc(cc1)Br 236b3907feecec97ec17720249b19928 [0,2,0,0,0,0|1,0,1]=4 390 B12R1.16 CC(OCF)c1ccc(cc1)Cl 83333c6b37c7786b1791b8fe58d88452 [0,2,0,0,0,0|1,0,1]=4 391 B12R1.16 CC(OCF)c1ccc(cc1)F 8c37a0b4d137a61dd127c7f36d203962 [0,2,0,0,0,0|1,0,1]=4 392 B12R1.16 CC(OCF)c1ccc(cc1)I bdda7360c180e4619e05145b589292de [0,2,0,0,0,0|1,0,1]=4 393 B12R1.16 CCOC(C)c1ccc(cc1)Br 982b0de4fe585ef0ed4de9a2ad175c76 [0,2,0,0,0,0|1,0,1]=4 394 B12R1.16 CCOC(C)c1ccc(cc1)C 396c60b3d54a12f6e40154fa61bed9a2 [0,2,0,0,0,0|1,0,1]=4 395 B12R1.16 CCOC(C)c1ccc(cc1)Cl f3e42c6226de75401fcbe78959e283b4 [0,2,0,0,0,0|1,0,1]=4 396 B12R1.16 CCOC(C)c1ccc(cc1)F aa2360b399b3a087ca1f4c68307ca7f9 [0,2,0,0,0,0|1,0,1]=4 397 B12R1.16 CCOC(C)c1ccc(cc1)I df7946fcea9073fd52039fd14b542186 [0,2,0,0,0,0|1,0,1]=4 398 B12R1.16 CCO[C@@H](C)c1ccc(cc1)Br baebd2a419f28b0a8d634bb2e1beabd2 [0,2,0,0,0,0|1,0,1]=4 399 B12R1.16 CCO[C@@H](C)c1ccc(cc1)C 4b30f3a8366a8fb2f9c8e9aab05e6a26 [0,2,0,0,0,0|1,0,1]=4 400 B12R1.16 CCO[C@@H](C)c1ccc(cc1)Cl b58e0ece298e7501aaf1b8b3f7a60aa4 [0,2,0,0,0,0|1,0,1]=4 401 B12R1.16 CCO[C@@H](C)c1ccc(cc1)F 4ecc8dc42f537f03870cfcf5e10780d9 [0,2,0,0,0,0|1,0,1]=4 402 B12R1.16 CCO[C@@H](C)c1ccc(cc1)I c1b200e42035110d73ed51b5e0160363 [0,2,0,0,0,0|1,0,1]=4 403 B12R1.16 CCO[C@H](C)c1ccc(cc1)Br ad3a9b113cf467bd3633b78e4753cf67 [0,2,0,0,0,0|1,0,1]=4 404 B12R1.16 CCO[C@H](C)c1ccc(cc1)C 2b0a96f73189e636184d743f74d1f9b2 [0,2,0,0,0,0|1,0,1]=4 405 B12R1.16 CCO[C@H](C)c1ccc(cc1)Cl 733a1736cadd5d822b040a3bf9e6e663 [0,2,0,0,0,0|1,0,1]=4 406 B12R1.16 CCO[C@H](C)c1ccc(cc1)F b784fadab1e81279e11581819d36414a [0,2,0,0,0,0|1,0,1]=4 407 B12R1.16 CCO[C@H](C)c1ccc(cc1)I 1b18a984c01fe648b9af7b33a1359669 [0,2,0,0,0,0|1,0,1]=4 408 B12R1.16 COCN(C)c1ccc(cc1)Br 5c3d79f8c883333efa3e489e535b8121 [0,2,0,0,0,0|2,0,0]=4 409 B12R1.16 COCN(C)c1ccc(cc1)C 260a9b4be5f588be4c5cb528cb614c98 [0,2,0,0,0,0|2,0,0]=4 410 B12R1.16 COCN(C)c1ccc(cc1)Cl 414d21cc2de4691930f611c0fc20992c [0,2,0,0,0,0|2,0,0]=4 411 B12R1.16 COCN(C)c1ccc(cc1)F 1014ccace74e2a32c2b4daac55daf6ce [0,2,0,0,0,0|2,0,0]=4 412 B12R1.16 COCN(C)c1ccc(cc1)I fa26c64233841ba8e1240eb81e88c955 [0,2,0,0,0,0|2,0,0]=4 413 B12R1.16 COCN(C)c1ccc(cc1)S 780cd73c99e79417e165649842ab3742 [0,2,0,0,0,0|2,0,0]=4 414 B12R1.16 C[C@@H](OCF)c1ccc(cc1)Br a559ccb2f0b3df3219b286e8b79a2f55 [0,2,0,0,0,0|1,0,1]=4 415 B12R1.16 C[C@@H](OCF)c1ccc(cc1)Cl 6d6b455e74677e915c3fb0b91a4e0c0d [0,2,0,0,0,0|1,0,1]=4 416 B12R1.16 C[C@@H](OCF)c1ccc(cc1)F 10dabee5a34917a287411d72a32ff354 [0,2,0,0,0,0|1,0,1]=4 417 B12R1.16 C[C@@H](OCF)c1ccc(cc1)I 2c2f78576465480dc40f2fc0df0c2a0e [0,2,0,0,0,0|1,0,1]=4 418 B12R1.16 C[C@H](OCF)c1ccc(cc1)Br 7aabaa75140816c96ee3928e62b15dd9 [0,2,0,0,0,0|1,0,1]=4 419 B12R1.16 C[C@H](OCF)c1ccc(cc1)Cl 4e81ce6cd9d962c868d57129bdae2a9e [0,2,0,0,0,0|1,0,1]=4 420 B12R1.16 C[C@H](OCF)c1ccc(cc1)F 289cf3b0de93cb59c2ff0b7ab2420e05 [0,2,0,0,0,0|1,0,1]=4 421 B12R1.16 C[C@H](OCF)c1ccc(cc1)I 65c70a6662e664ad837470f8fd4fa259 [0,2,0,0,0,0|1,0,1]=4 422 B12R1.16 Cc1ccc(cc1)C(=O)NC#N db9c029ca258c4ca02cc9c2e6a5bd644 [0,2,0,0,0,0|1,0,1]=4 423 B12R1.16 Cc1ccc(cc1)C(C)OCF e9d60b83476771ae90e246ba316a36fb [0,2,0,0,0,0|1,0,1]=4 424 B12R1.16 Cc1ccc(cc1)[C@@H](C)OCF 13a5bd08c8932589c6d7751c4d108245 [0,2,0,0,0,0|1,0,1]=4 425 B12R1.16 Cc1ccc(cc1)[C@H](C)OCF 0f88a2e92752d13fef78fe01f4ed8f81 [0,2,0,0,0,0|1,0,1]=4 426 B12R1.16 N#CNC(=O)c1ccc(cc1)Br a99b0fc0654d043ac7ce11f3747c4d29 [0,2,0,0,0,0|1,0,1]=4 427 B12R1.16 N#CNC(=O)c1ccc(cc1)Cl ba54d20ca571a54a3528edc3d2dd1d85 [0,2,0,0,0,0|1,0,1]=4 428 B12R1.16 N#CNC(=O)c1ccc(cc1)F 9c493ddeafce1b54e4e15966e3479758 [0,2,0,0,0,0|1,0,1]=4 429 B12R1.16 N#CNC(=O)c1ccc(cc1)I 321a9b79bb1811f58697ecdae7bb89cd [0,2,0,0,0,0|1,0,1]=4 430 B12R1.16 N#CNC(=O)c1ccc(cc1)O 772a9f4515185f04385bbd2d486c3994 [0,2,0,0,0,0|1,0,1]=4 431 B12R1.16 N#CNC(=O)c1ccc(cc1)S 954b2a211483b0165b3c135e0f2947a6 [0,2,0,0,0,0|1,0,1]=4 432 B12R1.17 CC(OCF)c1cccc(c1)Br 01ca5a07dd81c7a95fe1bcc746ec9e7d [0,2,0,0,0,0|1,0,1]=4 433 B12R1.17 CC(OCF)c1cccc(c1)Cl 779988336410abd4eac123ce57f5e2f3 [0,2,0,0,0,0|1,0,1]=4 434 B12R1.17 CC(OCF)c1cccc(c1)F b9dd2c50cb926ad35e251041562dcc7e [0,2,0,0,0,0|1,0,1]=4 435 B12R1.17 CC(OCF)c1cccc(c1)I 47eaf0683a1d125a502deea14ce1bd87 [0,2,0,0,0,0|1,0,1]=4 436 B12R1.17 CCOC(C)c1cccc(c1)Br 42ca494baf4aa0a38e9fb3366b773268 [0,2,0,0,0,0|1,0,1]=4 437 B12R1.17 CCOC(C)c1cccc(c1)C 77489ca20b0c159fdffd29d1744d738a [0,2,0,0,0,0|1,0,1]=4 438 B12R1.17 CCOC(C)c1cccc(c1)Cl d76065522f99861b8f31d7f88c32d628 [0,2,0,0,0,0|1,0,1]=4 439 B12R1.17 CCOC(C)c1cccc(c1)F 724570a61f9c9797e61dce1db0386846 [0,2,0,0,0,0|1,0,1]=4 440 B12R1.17 CCOC(C)c1cccc(c1)I d454d6b1d8844d9b454c0363645bbb70 [0,2,0,0,0,0|1,0,1]=4 441 B12R1.17 CCO[C@@H](C)c1cccc(c1)Br a6bcaa4e35963ce1794b8e13e8f20ac9 [0,2,0,0,0,0|1,0,1]=4 442 B12R1.17 CCO[C@@H](C)c1cccc(c1)C 33dd0e36ecc47e9d30382124af23bb72 [0,2,0,0,0,0|1,0,1]=4 443 B12R1.17 CCO[C@@H](C)c1cccc(c1)Cl a0cb09592617352d4e52595d42a99fc5 [0,2,0,0,0,0|1,0,1]=4 444 B12R1.17 CCO[C@@H](C)c1cccc(c1)F dc0d46b451aae28446975dff011877bb [0,2,0,0,0,0|1,0,1]=4 445 B12R1.17 CCO[C@H](C)c1cccc(c1)Br b1e5cf473b6a64a7764f8f222a9041d3 [0,2,0,0,0,0|1,0,1]=4 446 B12R1.17 CCO[C@H](C)c1cccc(c1)C f495253381fbba7e8b85f8c69e274296 [0,2,0,0,0,0|1,0,1]=4 447 B12R1.17 CCO[C@H](C)c1cccc(c1)Cl 0ea8aa6694bd99a0876fd9dc9ea2a396 [0,2,0,0,0,0|1,0,1]=4 448 B12R1.17 CCO[C@H](C)c1cccc(c1)F e6c9bbadd74036f7f872059480f0031e [0,2,0,0,0,0|1,0,1]=4 449 B12R1.17 COCN(C)c1cccc(c1)Br a0b6a01e8a8e903112d08a0ad1b791c6 [0,2,0,0,0,0|2,0,0]=4 450 B12R1.17 COCN(C)c1cccc(c1)C 2630b7af0f24b4920d1bb44ad2a618b8 [0,2,0,0,0,0|2,0,0]=4 451 B12R1.17 COCN(C)c1cccc(c1)Cl c412e0aedf878ea54434f0cf1a2ff9d0 [0,2,0,0,0,0|2,0,0]=4 452 B12R1.17 COCN(C)c1cccc(c1)F 1625ecf140c7f5483d83bb16cd4a78c2 [0,2,0,0,0,0|2,0,0]=4 453 B12R1.17 COCN(C)c1cccc(c1)I 783d0176762cb36e227b85f37b36850b [0,2,0,0,0,0|2,0,0]=4 454 B12R1.17 C[C@@H](OCF)c1cccc(c1)Br 3635f89a50b809c06e2b3cdfa5d2c51c [0,2,0,0,0,0|1,0,1]=4 455 B12R1.17 C[C@@H](OCF)c1cccc(c1)Cl ce1b56b0348a5f75a7d08f4ba9a2645e [0,2,0,0,0,0|1,0,1]=4 456 B12R1.17 C[C@@H](OCF)c1cccc(c1)F db90468b8247fcc2691f8c1eae8f3170 [0,2,0,0,0,0|1,0,1]=4 457 B12R1.17 C[C@H](OCF)c1cccc(c1)Br e07701f3eb8039891a25d9669ca4f86f [0,2,0,0,0,0|1,0,1]=4 458 B12R1.17 C[C@H](OCF)c1cccc(c1)Cl d4085536390541eae57a7cc1f385cabd [0,2,0,0,0,0|1,0,1]=4 459 B12R1.17 C[C@H](OCF)c1cccc(c1)F c4be0bb49a60701d42d09cbffc2347d5 [0,2,0,0,0,0|1,0,1]=4 460 B12R1.17 Cc1cccc(c1)C(=O)NC#N 8969e2d1b9e0875dd0263d8e02448ab3 [0,2,0,0,0,0|1,0,1]=4 461 B12R1.17 Cc1cccc(c1)C(C)OCF 963db7b78a9268c2604a30dfb5ebd6c7 [0,2,0,0,0,0|1,0,1]=4 462 B12R1.17 Cc1cccc(c1)[C@@H](C)OCF 1e508f4bbd9fe6fc7b8df0aa50acdaed [0,2,0,0,0,0|1,0,1]=4 463 B12R1.17 Cc1cccc(c1)[C@H](C)OCF 936eb812ed1a822378b352f4016df5fc [0,2,0,0,0,0|1,0,1]=4 464 B12R1.17 N#CNC(=O)c1cccc(c1)Br 17a738b8d21e938bc893c81fe83f94aa [0,2,0,0,0,0|1,0,1]=4 465 B12R1.17 N#CNC(=O)c1cccc(c1)Cl 153a83fd06782dfd4efeb858fe6c964d [0,2,0,0,0,0|1,0,1]=4 466 B12R1.17 N#CNC(=O)c1cccc(c1)F a586fcc73b12342c700b3f2c8fa2834e [0,2,0,0,0,0|1,0,1]=4 467 B12R1.17 N#CNC(=O)c1cccc(c1)I 34b6b12465d7bd928f2df5ab61bc5e71 [0,2,0,0,0,0|1,0,1]=4 468 B12R1.17 N#CNC(=O)c1cccc(c1)O c1a129dfbf159ede7ce86d0a29a02b40 [0,2,0,0,0,0|1,0,1]=4 469 B12R1.17 N#CNC(=O)c1cccc(c1)S 63a2aef7be2f7e2604c45a9f333fa15e [0,2,0,0,0,0|1,0,1]=4 470 B12R1.30 C#CCNC(=O)c1ccccc1 5992adae17a1dd7824373a9ef813d750 [0,2,0,0,0,0|1,0,0]=3 471 B12R1.30 C#CCNC(=O)c1ccccn1 895a74ad177f2b87412256e12cfee40e [0,2,0,0,0,0|2,0,0]=4 472 B12R1.30 C#CCNC(=O)c1cccnc1 b0856152a0cf85e1384305e5916147c2 [0,2,0,0,0,0|2,0,0]=4 473 B12R1.30 C#CCNC(=O)c1ccncc1 af13236ec0c731d95033c2b461e0cffe [0,2,0,0,0,0|2,0,0]=4 474 B12R1.30 C#CCOC(C)c1ccccc1 29a457d91187748bd9fba937b2dce22a [0,2,0,0,0,0|1,0,1]=4 475 B12R1.30 C#CCO[C@@H](C)c1ccccc1 a17750258d0bbb03a82d71c12a4ef66f [0,2,0,0,0,0|1,0,1]=4 476 B12R1.30 C#CCO[C@H](C)c1ccccc1 daa23676a75f018b9eb1a615337c3d8a [0,2,0,0,0,0|1,0,1]=4 477 B12R1.30 C=C(COCC)c1ccccc1 e1174170fb735530ed2c07509ad0f64f [0,2,0,0,0,0|1,0,0]=3 478 B12R1.30 C=C(COCC)c1ccccn1 f40de5671b29d2ee57d19787ac098e3c [0,2,0,0,0,0|2,0,0]=4 479 B12R1.30 C=C(COCF)c1ccccc1 7f9b3146156f36d50e79417005ca927c [0,2,0,0,0,0|1,0,0]=3 480 B12R1.30 C=C(COCF)c1ccccn1 a1e2e7eaefd33d18b03307c74614060f [0,2,0,0,0,0|2,0,0]=4 481 B12R1.30 C=CCOC(C)c1ccccc1 8044d3406b23fdabe4ad5833cf2a8d4b [0,2,0,0,0,0|1,0,1]=4 482 B12R1.30 C=CCO[C@@H](C)c1ccccc1 a727c5edd06769bc0527d3d68934d138 [0,2,0,0,0,0|1,0,1]=4 483 B12R1.30 C=CCO[C@H](C)c1ccccc1 ff3f82ad85551dde7fcd068107420df1 [0,2,0,0,0,0|1,0,1]=4 484 B12R1.30 CC(COCF)c1ccccc1 c129742ad0b3dcb07ba4c78eb9851e3b [0,2,0,0,0,0|1,0,1]=4 485 B12R1.30 CC(OCC#N)c1ccccc1 1ec1dc9da1f2b2c8e841a4b7ee7f537f [0,2,0,0,0,0|1,0,1]=4 486 B12R1.30 CC(OCC=O)c1ccccc1 5c4b88cbd6ba661cea0ad67f126d3e82 [0,2,0,0,0,0|1,0,1]=4 487 B12R1.30 CC(OCCF)c1ccccc1 296004c8a3c297153de64ff701a708ab [0,2,0,0,0,0|1,0,1]=4 488 B12R1.30 CC(OCCS)c1ccccc1 8a2d25daddbc7e25b5ea41349af0bdcf [0,2,0,0,0,0|1,0,1]=4 489 B12R1.30 CCCNC(=O)c1ccccc1 17d55bfe3f14492436164da3d0c80e57 [0,2,0,0,0,0|1,0,0]=3 490 B12R1.30 CCCNC(=O)c1ccccn1 aec690230b3cc4437d966e9bbbea0961 [0,2,0,0,0,0|2,0,0]=4 491 B12R1.30 CCCNC(=O)c1cccnc1 3307a345d1b42f2c6d215fbac04a28f4 [0,2,0,0,0,0|2,0,0]=4 492 B12R1.30 CCCNC(=O)c1ccncc1 b693f502598d6ba38fb153a0cebb0267 [0,2,0,0,0,0|2,0,0]=4 493 B12R1.30 CCCOC(C)c1ccccc1 b3e8a20aaf9fee6fd90ba3c942d17cbb [0,2,0,0,0,0|1,0,1]=4 494 B12R1.30 CCCO[C@@H](C)c1ccccc1 b5a89a5e2269c078fad9874c053ef84d [0,2,0,0,0,0|1,0,1]=4 495 B12R1.30 CCCO[C@H](C)c1ccccc1 ae53c06444379dfac4167ac84138cfb9 [0,2,0,0,0,0|1,0,1]=4 496 B12R1.30 CCNCC(=O)c1ccccc1 120782ba76f814e86bdef32896186f08 [0,2,0,0,0,0|1,0,0]=3 497 B12R1.30 CCOCC(=O)c1ccccc1 d10a1656db1ce15c4b0e7531fc2ce741 [0,2,0,0,0,0|0,0,0]=2 498 B12R1.30 CCOCC(=O)c1ccccn1 dca3a90de36d6da1383fefa302a94393 [0,2,0,0,0,0|1,0,0]=3 499 B12R1.30 CCOCC(=O)c1cccnc1 aef6d38b572782e69bfe5e03089f6e74 [0,2,0,0,0,0|1,0,0]=3 500 B12R1.30 CCOCC(C)c1ccccc1 7d0863132e6f64e2e8f3b829c1ba4213 [0,2,0,0,0,0|1,0,1]=4 501 B12R1.30 CCOC[C@@H](C)c1ccccc1 5d4adf02715a7dc88fd8e9ed1c1ccac0 [0,2,0,0,0,0|1,0,1]=4 502 B12R1.30 CCOC[C@H](C)c1ccccc1 71da89b37784dc3a33c9c6970d6f6435 [0,2,0,0,0,0|1,0,1]=4 503 B12R1.30 COCCN(C)c1ccccc1 f88ab3abd109b8d6e952f5ff5bda6892 [0,2,0,0,0,0|2,0,0]=4 504 B12R1.30 COCNC(C)c1ccccc1 da3a97833b329d52bf380d21525de137 [0,2,0,0,0,0|1,0,1]=4 505 B12R1.30 COCN[C@@H](C)c1ccccc1 b0afc671726e2aa3bbf25811f588d87b [0,2,0,0,0,0|1,0,1]=4 506 B12R1.30 COCN[C@H](C)c1ccccc1 9e08f5d5391d04ef9dca8846d7c418b1 [0,2,0,0,0,0|1,0,1]=4 507 B12R1.30 COCOC(C)c1ccccc1 0b1f9c9cdb2cc63a37919c47ba14afe7 [0,2,0,0,0,0|1,0,1]=4 508 B12R1.30 COCO[C@@H](C)c1ccccc1 4f223b91f36fa3bfe971e90568b0e3b0 [0,2,0,0,0,0|1,0,1]=4 509 B12R1.30 COCO[C@H](C)c1ccccc1 ba83963d37e25f49896a3a9bad50ab4f [0,2,0,0,0,0|1,0,1]=4 510 B12R1.30 CSCOC(C)c1ccccc1 641ae777302bb1952ab6a4af8532f275 [0,2,0,0,0,0|1,0,1]=4 511 B12R1.30 CSCO[C@@H](C)c1ccccc1 4fac534708704f5d5e3429eb46cba8d5 [0,2,0,0,0,0|1,0,1]=4 512 B12R1.30 CSCO[C@H](C)c1ccccc1 6e65c7d8640db47c99545e1f59d710dc [0,2,0,0,0,0|1,0,1]=4 513 B12R1.30 C[C@@H](COCF)c1ccccc1 3ef1be7494a491550febb3ea126e0341 [0,2,0,0,0,0|1,0,1]=4 514 B12R1.30 C[C@@H](OCC#N)c1ccccc1 b7bf8cbcee7c14c575bc4d4a84868d53 [0,2,0,0,0,0|1,0,1]=4 515 B12R1.30 C[C@@H](OCC=O)c1ccccc1 2ac21f5d0549ec288424cc0d2265d67c [0,2,0,0,0,0|1,0,1]=4 516 B12R1.30 C[C@@H](OCCF)c1ccccc1 203a44e775c1adfe6a43ad6321e3d4aa [0,2,0,0,0,0|1,0,1]=4 517 B12R1.30 C[C@@H](OCCS)c1ccccc1 831161e77b199edd57098275b43b0190 [0,2,0,0,0,0|1,0,1]=4 518 B12R1.30 C[C@H](COCF)c1ccccc1 dfac0c7125baf2c94bf4011a8539eabb [0,2,0,0,0,0|1,0,1]=4 519 B12R1.30 C[C@H](OCC#N)c1ccccc1 dec9f32ff56faa2d18e3e3c1709f800a [0,2,0,0,0,0|1,0,1]=4 520 B12R1.30 C[C@H](OCC=O)c1ccccc1 00d569f48b2d6afec7a482be4dffe552 [0,2,0,0,0,0|1,0,1]=4 521 B12R1.30 C[C@H](OCCF)c1ccccc1 c0748435be7f607898a504b3471e7402 [0,2,0,0,0,0|1,0,1]=4 522 B12R1.30 C[C@H](OCCS)c1ccccc1 37922141bea6d1cffd84b12460e94096 [0,2,0,0,0,0|1,0,1]=4 523 B12R1.30 N#CCNC(=O)c1ccccc1 fc4b219e64be81c56d6d3aeb9506ed05 [0,2,0,0,0,0|1,0,0]=3 524 B12R1.30 N#CCNC(=O)c1ccccn1 365fd3ab3298578e87d4323c47013065 [0,2,0,0,0,0|2,0,0]=4 525 B12R1.30 N#CCNC(=O)c1cccnc1 a2a845f46f3f162cf3a70e4d09d00e96 [0,2,0,0,0,0|2,0,0]=4 526 B12R1.30 N#CCNC(=O)c1ccncc1 749db0e3719d9e8ef1b563733b487f2d [0,2,0,0,0,0|2,0,0]=4 527 B12R1.30 N#CNCC(=O)c1ccccc1 90502f681dd2d0607b0bf27a7287c010 [0,2,0,0,0,0|1,0,1]=4 528 B12R1.30 O=C(CNCF)c1ccccc1 b008ddf68ca6c6ff7ea37d0a87275ccd [0,2,0,0,0,0|1,0,0]=3 529 B12R1.30 O=C(CNCO)c1ccccc1 1f6ea0716cbea011ade59a66de8cfc95 [0,2,0,0,0,0|1,0,0]=3 530 B12R1.30 O=C(COCF)c1ccccc1 1a03c575b01170f76330974774069cf7 [0,2,0,0,0,0|0,0,0]=2 531 B12R1.30 O=C(COCF)c1ccccn1 d721e2a9100a69c5669bc1ea4a691a11 [0,2,0,0,0,0|1,0,0]=3 532 B12R1.30 O=C(COCF)c1cccnc1 9a8e93ae6bef36d6135782ae10319c45 [0,2,0,0,0,0|1,0,0]=3 533 B12R1.30 O=C(NCCBr)c1ccccc1 7c87b4242707692635884c6b6fcd4df1 [0,2,0,0,0,0|1,0,0]=3 534 B12R1.30 O=C(NCCBr)c1cccnc1 aa6bec5a14f064ed8104ac011e985f93 [0,2,0,0,0,0|2,0,0]=4 535 B12R1.30 O=C(NCCBr)c1ccncc1 45fdcd7147f155e6d1c4ae20d0fcf2c5 [0,2,0,0,0,0|2,0,0]=4 536 B12R1.30 O=C(NCCF)c1ccccc1 e638ffad58379d89848ae9345da1475d [0,2,0,0,0,0|1,0,0]=3 537 B12R1.30 O=C(NCCF)c1ccccn1 4a97f3ab618176ebd6ac2df3dad3b4cc [0,2,0,0,0,0|2,0,0]=4 538 B12R1.30 O=C(NCCF)c1cccnc1 9e8dfc1ff3c253e05735643d47a5382b [0,2,0,0,0,0|2,0,0]=4 539 B12R1.30 O=C(NCCF)c1ccncc1 fbe99a915ead568fcaa295143ee2ec0a [0,2,0,0,0,0|2,0,0]=4 540 B12R1.30 O=C(NCCI)c1ccccc1 f9da4089887204671775e3bd8a7c2cbe [0,2,0,0,0,0|1,0,0]=3 541 B12R1.30 O=C(NCCI)c1ccccn1 ac35a1f6684de8e8342f6b05eca2693e [0,2,0,0,0,0|2,0,0]=4 542 B12R1.30 O=C(NCCI)c1cccnc1 08710fab037c1782967a4b685b3a30f8 [0,2,0,0,0,0|2,0,0]=4 543 B12R1.30 O=C(NCCI)c1ccncc1 6bd59a58e07204c91bdb4e1795f132a9 [0,2,0,0,0,0|2,0,0]=4 544 B12R1.30 O=C(NCCO)c1ccccc1 d034a5a3334662fbb2c17b7d9b92b751 [0,2,0,0,0,0|1,0,0]=3 545 B12R1.30 O=C(NCCO)c1ccccn1 a2021453263d08de31cb9c035df6984e [0,2,0,0,0,0|2,0,0]=4 546 B12R1.30 O=C(NCCO)c1cccnc1 963df7532c713daef1e9a51aa93e2bdc [0,2,0,0,0,0|2,0,0]=4 547 B12R1.30 O=C(NCCO)c1ccncc1 b9544645504fe39897f7e585f5d653d0 [0,2,0,0,0,0|2,0,0]=4 548 B12R1.30 O=C(NCCS)c1ccccc1 0eed267da0c4369b9172240aa5aa6bce [0,2,0,0,0,0|1,0,0]=3 549 B12R1.30 O=C(NCCS)c1ccccn1 8988f54408f8c875b5e29488d2a313be [0,2,0,0,0,0|2,0,0]=4 550 B12R1.30 O=C(NCCS)c1cccnc1 ec7c915ff51c0bb22668b31efc7b81c3 [0,2,0,0,0,0|2,0,0]=4 551 B12R1.30 O=C(NCCS)c1ccncc1 d3a8346725379b5dc5719ca16669667b [0,2,0,0,0,0|2,0,0]=4 552 B12R1.30 O=CNCC(=O)c1ccccc1 3d692fdbbd985de7bb8ce4ed3be15af5 [0,2,0,0,0,0|1,0,1]=4 553 B12R1.107 CC(C)OC(C)c1ccccc1 c88937e1bba3e11ca71331a692d3263d [0,2,0,0,0,0|1,0,1]=4 554 B12R1.107 CC(C)O[C@@H](C)c1ccccc1 cd312c9ad337f3d7e7cf959a697dd297 [0,2,0,0,0,0|1,0,1]=4 555 B12R1.107 CC(C)O[C@H](C)c1ccccc1 b2ce62b73f9b987a3fea9afe8162e394 [0,2,0,0,0,0|1,0,1]=4 556 B12R1.308 CCOC(C)c1ccccc1Cl 41900255e15d067e87f6ea562416138f [0,2,0,0,0,0|1,0,1]=4 557 B12R1.308 CCO[C@@H](C)c1ccccc1Cl 0d253b912a6e6c7137bdc641619c139f [0,2,0,0,0,0|1,0,1]=4 558 B12R1.308 CCO[C@H](C)c1ccccc1Cl fec58acae71ef20f9f3b3ae583319a6c [0,2,0,0,0,0|1,0,1]=4 559 B12R1.308 COCN(C)c1ccccc1C f224c9bb5fe23115c7fa370ea3f6470e [0,2,0,0,0,0|2,0,0]=4 560 B12R1.308 COCN(C)c1ccccc1Cl 1f54d711984a58c2f3926dd45ded75fe [0,2,0,0,0,0|2,0,0]=4 561 B12R1.308 COCN(C)c1ccccc1F 285cb5429ee8876835de9666442ca7e8 [0,2,0,0,0,0|2,0,0]=4 562 B12R1.308 Cc1ccccc1C(=O)NC#N d82f8f123f26de62ce6a2dc001aed439 [0,2,0,0,0,0|1,0,1]=4 563 B12R1.308 N#CNC(=O)c1ccccc1Cl f5a3d8c86f28135d6f1d27175c4d9829 [0,2,0,0,0,0|1,0,1]=4 564 B12R1.308 N#CNC(=O)c1ccccc1F 897120182787f836051432e47ef28996 [0,2,0,0,0,0|1,0,1]=4 565 B12R1.308 N#CNC(=O)c1ccccc1I d5dae0379cfbead41c7efe728cb1f4ee [0,2,0,0,0,0|1,0,1]=4 566 B12R1.308 N#CNC(=O)c1ccccc1S fe76b6c19cdab6b64f7df35fceadd24e [0,2,0,0,0,0|1,0,1]=4 567 B10R1.16 C=CCOC1=CC(=O)OC1 1d561036422e1bc4c1bf6d44aa368a39 [0,0,1,1,0,0|1,0,1]=4 568 B12R2.1 O=CN1CCc2c1cccc2 952fb58dcbced8913394c41c3e29378e [0,1,0,1,0,0|2,0,0]=4 569 B12R2.2 c1ccc(cc1)c2ccco2 67d5bff31c39591a62f72fefb1796923 [0,1,0,1,0,0|1,0,1]=4 570 B12R2.2 c1ccc(cc1)c2ccno2 43e56304d00da0163b84bc8aac75bf60 [0,1,0,1,0,0|1,0,1]=4 571 B12R2.2 c1ccc(cc1)c2ccoc2 943a3166e2c0d8deacea159f1af77584 [0,1,0,1,0,0|1,0,1]=4 572 B12R2.2 c1ccc(cc1)c2ccon2 f5a7154212377e56a115aa8bde828f0c [0,1,0,1,0,0|1,0,1]=4 573 B12R2.2 c1ccc(cc1)c2cnco2 2e69350309650d294610cdfd138ca5ee [0,1,0,1,0,0|1,0,1]=4 574 B12R2.2 c1ccc(cc1)c2cnoc2 a10948557e486353e1e9efd1544a1b7a [0,1,0,1,0,0|2,0,0]=4 575 B12R2.2 c1ccc(cc1)c2cocn2 42a4e4263f73296e3c97d861c51c0e74 [0,1,0,1,0,0|1,0,1]=4 576 B12R2.2 c1ccc(cc1)c2ncco2 a0fc7771bcc722874649153b6d011e45 [0,1,0,1,0,0|1,0,1]=4 577 B12R2.2 c1ccc(cc1)c2nnco2 b0f9906170d0b6f7766656d1bdbf553a [0,1,0,1,0,0|1,0,1]=4 578 B12R2.931 CCOC1Cc2c1cccc2 3c89ff4e209e0c2fdac6354471a794bb [0,1,0,1,0,0|1,0,1]=4 579 B12R2.931 FCOC1Cc2c1cccc2 8a2a59b07ef62954890e5ca9132b929f [0,1,0,1,0,0|1,0,1]=4 580 B12R1.27 C#CC(=O)NCc1ccccc1 7af84dc5a7d2034c8d0a1778bc429d59 [0,0,0,0,0,2|1,0,1]=4 581 B12R1.27 C=C(CC)CNc1ccccc1 109c052abdb53f9ddab28ed347d98fd8 [0,0,0,0,0,2|2,0,0]=4 582 B12R1.27 C=C(CNc1ccccc1)OC bb949f54d2f54d3e6e888faf57686f4e [0,0,0,0,0,2|1,0,0]=3 583 B12R1.27 C=C(CNc1ccccn1)OC 3de7e001df09be3a86b7985205b8d232 [0,0,0,0,0,2|2,0,0]=4 584 B12R1.27 C=C(CNc1cccnc1)OC 16f5c6a181503e92db9c7517f408c15a [0,0,0,0,0,2|2,0,0]=4 585 B12R1.27 C=C(CNc1ccncc1)OC 749bc4377b5a09f0ab82893ce238a124 [0,0,0,0,0,2|2,0,0]=4 586 B12R1.27 C=C(COc1ccccn1)OC a43bd483ae573d6cfa4f8d7b75d98ff8 [0,0,0,0,0,2|2,0,0]=4 587 B12R1.27 C=C(COc1cccnc1)OC 3ff9797a1ba9a3ae1d012481d7824603 [0,0,0,0,0,2|2,0,0]=4 588 B12R1.27 C=C(COc1ccncc1)OC 339d1dd8bae57e1176953c4d9117eedb [0,0,0,0,0,2|2,0,0]=4 589 B12R1.27 C=CC(=O)NCc1ccccc1 35494ddcd383d6504b7e0ac93d2e54a2 [0,0,0,0,0,2|1,0,1]=4 590 B12R1.27 CCC(=O)CNc1ccccc1 8a00a9b87cff2992f22bb204b9e2670f [0,0,0,0,0,2|1,0,0]=3 591 B12R1.27 CCC(=O)CNc1ccccn1 2d342bf045411702eec8a271afb524c7 [0,0,0,0,0,2|2,0,0]=4 592 B12R1.27 CCC(=O)CNc1cccnc1 1504cf6a29e5927e00fbb7fbe9fae424 [0,0,0,0,0,2|2,0,0]=4 593 B12R1.27 CCC(=O)CNc1ccncc1 bb08ae1abbdea9bdec7ae829443f455d [0,0,0,0,0,2|2,0,0]=4 594 B12R1.27 CCC(=O)COc1ccccn1 3a724b1bda77ee3c2eba66bde7c3ebc1 [0,0,0,0,0,2|2,0,0]=4 595 B12R1.27 CCC(=O)COc1cccnc1 b80719a3406cee7589ce2d1a152f5933 [0,0,0,0,0,2|2,0,0]=4 596 B12R1.27 CCC(=O)COc1ccncc1 00ef9df8c2954a5dbdd027032485abe5 [0,0,0,0,0,2|2,0,0]=4 597 B12R1.27 CCC(=O)NCc1ccccc1 cd109163e80059e2763660343f9dbe36 [0,0,0,0,0,2|1,0,0]=3 598 B12R1.27 CCC(=O)NCc1ccccn1 8feeaaa17ff0b8e92392e088c3f6feb2 [0,0,0,0,0,2|2,0,0]=4 599 B12R1.27 CCC(=O)NCc1cccnc1 163349dbb40d7f18c251a823056c2629 [0,0,0,0,0,2|2,0,0]=4 600 B12R1.27 CCC(=O)NCc1ccncc1 144e26626888e38f930efdfdcacd3026 [0,0,0,0,0,2|2,0,0]=4 601 B12R1.27 CNC(=O)CNc1ccccc1 9c8781c492a9bef282f2e4766dfd7321 [0,0,0,0,0,2|1,0,0]=3 602 B12R1.27 CNC(=O)CNc1ccccn1 fc4762116a27bb8b6ea53a6e66542d19 [0,0,0,0,0,2|2,0,0]=4 603 B12R1.27 CNC(=O)CNc1cccnc1 e74073d8f4796974c660596e377c33cf [0,0,0,0,0,2|2,0,0]=4 604 B12R1.27 CNC(=O)CNc1ccncc1 cb6bf41ad771ff76a746a99e372cd865 [0,0,0,0,0,2|2,0,0]=4 605 B12R1.27 CNC(=O)COc1ccccn1 bd4756c0f0116ab38b1a4beac8202f0e [0,0,0,0,0,2|2,0,0]=4 606 B12R1.27 CNC(=O)COc1cccnc1 609ec57943b9a9b0a728c8221c1b3313 [0,0,0,0,0,2|2,0,0]=4 607 B12R1.27 CNC(=O)COc1ccncc1 fdffb7e35ed97f6ad7614209cd65357a [0,0,0,0,0,2|2,0,0]=4 608 B12R1.27 COC(=O)CNc1ccccc1 4732dba1106eb1ebf4644524cb0d5858 [0,0,0,0,0,2|0,0,0]=2 609 B12R1.27 COC(=O)CNc1ccccn1 422ec05b49687667e2eb26080da1b005 [0,0,0,0,0,2|1,0,0]=3 610 B12R1.27 COC(=O)CNc1cccnc1 bb8fa453cbe767f1bfa38300e2133b6f [0,0,0,0,0,2|1,0,0]=3 611 B12R1.27 COC(=O)CNc1cccnn1 e3fe85fcb804bff6501492672485587b [0,0,0,0,0,2|2,0,0]=4 612 B12R1.27 COC(=O)CNc1ccncc1 4b6a9e8b399f3b2656c00a1a6d53d873 [0,0,0,0,0,2|1,0,0]=3 613 B12R1.27 COC(=O)CNc1ccncn1 89567220a9f576dcce12a714da6edcc9 [0,0,0,0,0,2|2,0,0]=4 614 B12R1.27 COC(=O)CNc1ccnnc1 2e2b30630be5941787e8d1a0e316f637 [0,0,0,0,0,2|2,0,0]=4 615 B12R1.27 COC(=O)CNc1cnccn1 9ab7e38034cacb42b2d0dc4b8d5f1b98 [0,0,0,0,0,2|2,0,0]=4 616 B12R1.27 COC(=O)CNc1cncnc1 c8a72bd510c192fa59fdd14c77a83f17 [0,0,0,0,0,2|2,0,0]=4 617 B12R1.27 COC(=O)CNc1ncccn1 50d45dc8d5d58c39241baacf707effe8 [0,0,0,0,0,2|2,0,0]=4 618 B12R1.27 COC(=O)COc1ccccn1 b9320fa8fadd3b157619c972c855ab22 [0,0,0,0,0,2|1,0,0]=3 619 B12R1.27 COC(=O)COc1cccnc1 4796298b812d84cf06b77d8bd60f9b41 [0,0,0,0,0,2|1,0,0]=3 620 B12R1.27 COC(=O)COc1ccncc1 0e6c838d44328ff91eb92d7c7be39fd1 [0,0,0,0,0,2|1,0,0]=3 621 B12R1.27 COC(=O)COc1ccnnc1 d33d2e48754a2c3a06e1d66d7e549a61 [0,0,0,0,0,2|2,0,0]=4 622 B12R1.27 COC(=O)COc1cnccn1 6e2ee09d9c1f5e1139c45fa3c46e2667 [0,0,0,0,0,2|2,0,0]=4 623 B12R1.27 COC(=O)COc1cncnc1 8b3f6c1dba40f762a9affd4fbc4f68ef [0,0,0,0,0,2|2,0,0]=4 624 B12R1.27 COC(=O)COc1ncccn1 aa6c463fc7911bd52e13761cf26287a2 [0,0,0,0,0,2|2,0,0]=4 625 B12R1.27 COC(C)CNc1ccccc1 8b7aea6540e0014f2969161722152c0a [0,0,0,0,0,2|1,0,1]=4 626 B12R1.27 CO[C@@H](C)CNc1ccccc1 1db51b6397d595cc5bd1ef07b3dce178 [0,0,0,0,0,2|1,0,1]=4 627 B12R1.27 CO[C@H](C)CNc1ccccc1 b7b86a2dea3233b080c54d71a8f46990 [0,0,0,0,0,2|1,0,1]=4 628 B12R1.27 O=C(CF)NCc1ccccc1 44d0634b73cc2a3134198abb702adc32 [0,0,0,0,0,2|2,0,0]=4 629 B12R1.27 O=C(CNc1ccccc1)NO b700dc391e059a1fe9e2fea74fdf720f [0,0,0,0,0,2|2,0,0]=4 630 B12R1.27 O=C(CO)CNc1ccccc1 1cf374c57dfb525ce3f48cecf3edf550 [0,0,0,0,0,2|2,0,0]=4 631 B12R1.27 O=C(CO)NCc1ccccc1 f4f787a5214848c6970058ebdb73c876 [0,0,0,0,0,2|2,0,0]=4 632 B12R1.27 O=C(CS)NCc1ccccc1 f91da9c658c39a4f0c257ce61b60a1a7 [0,0,0,0,0,2|2,0,0]=4 633 B12R1.27 O=CC(=O)NCc1ccccc1 970d8ad05ab6cb0901c43fa67531a907 [0,0,0,0,0,2|2,0,0]=4