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(NC=O)c1ccccc1 912f825ae8ec09ad8cb929f90e443d73 [0,1,0,0,0,0|1,0,2]=4 19 B11R1.16 CC(NCF)c1ccccn1 0905269fa9a0af5b89b0863135e0ba86 [0,1,0,0,0,0|2,0,1]=4 20 B11R1.16 CC(NCF)c1cccnc1 06f634f0617dadb8cf037734a8a97de2 [0,1,0,0,0,0|2,0,1]=4 21 B11R1.16 CC(NCF)c1ccncc1 52244c9bda4d3b96fb892679ba84673a [0,1,0,0,0,0|2,0,1]=4 22 B11R1.16 CC(NCO)c1ccccn1 92e2d7a3e5eb4a0cf656a3abd8120ca1 [0,1,0,0,0,0|2,0,1]=4 23 B11R1.16 CC(NCO)c1cccnc1 862c30acc11398ef9d9eed839c208db8 [0,1,0,0,0,0|2,0,1]=4 24 B11R1.16 CC(NCO)c1ccncc1 c1d5cc5db08b36fc1a8cd8b573f9e139 [0,1,0,0,0,0|2,0,1]=4 25 B11R1.16 CC(OCF)c1ccccc1 a5a4510633c1500ac034b294490d7f65 [0,1,0,0,0,0|2,0,1]=4 26 B11R1.16 CCCN(C)c1ccccc1 5333b12ce18e2a38096b8e486fed114a [0,1,0,0,0,0|3,0,0]=4 27 B11R1.16 CCNC(C)c1ccccc1 af03e39d181c5fd668bda5d6f7d06e14 [0,1,0,0,0,0|1,0,1]=3 28 B11R1.16 CCNC(C)c1ccccn1 1349d82fdb3aca31d54d33a892f4429f [0,1,0,0,0,0|2,0,1]=4 29 B11R1.16 CCNC(C)c1cccnc1 c47433cc5cae1ddbdb53f6ca3e6bfaaf [0,1,0,0,0,0|2,0,1]=4 30 B11R1.16 CCNC(C)c1ccncc1 4381b6d20643b9397cf1c3275f14ef7f [0,1,0,0,0,0|2,0,1]=4 31 B11R1.16 CCN[C@@H](C)c1ccccc1 994b5b0b50363ecab1efd5b7f9e6d7cd [0,1,0,0,0,0|1,0,1]=3 32 B11R1.16 CCN[C@@H](C)c1ccccn1 6becaa5dd299afbde8d9e40b8df2b64b [0,1,0,0,0,0|2,0,1]=4 33 B11R1.16 CCN[C@@H](C)c1cccnc1 330151f91eef2953e097f24cd8fe5255 [0,1,0,0,0,0|2,0,1]=4 34 B11R1.16 CCN[C@@H](C)c1ccncc1 00312d91ebda62098fbd65a2d65ba17c [0,1,0,0,0,0|2,0,1]=4 35 B11R1.16 CCN[C@H](C)c1ccccc1 af432512ad94856da6ef9d44592c3502 [0,1,0,0,0,0|1,0,1]=3 36 B11R1.16 CCN[C@H](C)c1ccccn1 de5b9d337b6c15bb985fd6d76426b016 [0,1,0,0,0,0|2,0,1]=4 37 B11R1.16 CCN[C@H](C)c1cccnc1 7cb1b35ff9549b4a705f07ae86659632 [0,1,0,0,0,0|2,0,1]=4 38 B11R1.16 CCN[C@H](C)c1ccncc1 d9dd8baf03e60276588d8bf323f0d599 [0,1,0,0,0,0|2,0,1]=4 39 B11R1.16 CCOC(C)c1ccccc1 37108e833ff536d25c550cb5b37c873d [0,1,0,0,0,0|2,0,1]=4 40 B11R1.16 CCO[C@@H](C)c1ccccc1 e4f11a13dd3f609e6f25ac3a3b969fe2 [0,1,0,0,0,0|2,0,1]=4 41 B11R1.16 CCO[C@H](C)c1ccccc1 54694971b3853f962e687b61e7c698c1 [0,1,0,0,0,0|2,0,1]=4 42 B11R1.16 CN(CCF)c1ccccc1 10541e2e32dac0db7a85ea44620c0e3e [0,1,0,0,0,0|3,0,0]=4 43 B11R1.16 CN(CCO)c1ccccc1 4b734b8d391d02ddf47f0308fb1d22c8 [0,1,0,0,0,0|3,0,0]=4 44 B11R1.16 COCN(C)c1ccccc1 6231e4bc9ebe3bdb02fd15faeb34634f [0,1,0,0,0,0|3,0,0]=4 45 B11R1.16 CSCN(C)c1ccccc1 6fe637e44a17092ac12098dbdcb5352f [0,1,0,0,0,0|3,0,0]=4 46 B11R1.16 C[C@@H](NC=O)c1ccccc1 ed3cbc790dab943801487e30e3a37c11 [0,1,0,0,0,0|1,0,2]=4 47 B11R1.16 C[C@@H](NCF)c1ccccn1 99b97b5aa9cfaef5c750c0b6f424a155 [0,1,0,0,0,0|2,0,1]=4 48 B11R1.16 C[C@@H](NCF)c1cccnc1 661209de32fd81ce54914e1bd942009a [0,1,0,0,0,0|2,0,1]=4 49 B11R1.16 C[C@@H](NCF)c1ccncc1 7c723b81de2f22629dc13a66a3539cc2 [0,1,0,0,0,0|2,0,1]=4 50 B11R1.16 C[C@@H](NCO)c1ccccn1 06a1df171fb3e867c231d94d30fe4c59 [0,1,0,0,0,0|2,0,1]=4 51 B11R1.16 C[C@@H](NCO)c1cccnc1 cf5dbaaa37b8cb4e2f16350a55683027 [0,1,0,0,0,0|2,0,1]=4 52 B11R1.16 C[C@@H](NCO)c1ccncc1 7d10d857a4fd7fe5ca5ccba46504091e [0,1,0,0,0,0|2,0,1]=4 53 B11R1.16 C[C@@H](OCF)c1ccccc1 f6dc1405e5744871891f84657f997fd4 [0,1,0,0,0,0|2,0,1]=4 54 B11R1.16 C[C@H](NC=O)c1ccccc1 0ca5dec48ba28ecff3cefea41bc874f0 [0,1,0,0,0,0|1,0,2]=4 55 B11R1.16 C[C@H](NCF)c1ccccn1 3f81f6af69df7aaa916f5a60f5ffdf6c [0,1,0,0,0,0|2,0,1]=4 56 B11R1.16 C[C@H](NCF)c1cccnc1 66a2dcad38cbf0d519df63526d229e46 [0,1,0,0,0,0|2,0,1]=4 57 B11R1.16 C[C@H](NCF)c1ccncc1 01b512844ac187d8e5e90b8a3d251ae9 [0,1,0,0,0,0|2,0,1]=4 58 B11R1.16 C[C@H](NCO)c1ccccn1 d98746896574333cf45787ddae8ffaa8 [0,1,0,0,0,0|2,0,1]=4 59 B11R1.16 C[C@H](NCO)c1cccnc1 476af247167559627f6aa699dfa54495 [0,1,0,0,0,0|2,0,1]=4 60 B11R1.16 C[C@H](NCO)c1ccncc1 6f6a1ba3773069295a22e913e615ab17 [0,1,0,0,0,0|2,0,1]=4 61 B11R1.16 C[C@H](OCF)c1ccccc1 0bdd092ad3daed19f52c193b52481cfc [0,1,0,0,0,0|2,0,1]=4 62 B11R1.16 N#CNC(=O)c1ccccc1 f968919af35f591f70d462dc16d787fc [0,1,0,0,0,0|0,0,1]=2 63 B11R1.16 N#CNC(=O)c1ccccn1 44d2e00cb0876a447fe7ca0e5dfa0092 [0,1,0,0,0,0|1,0,1]=3 64 B11R1.16 N#CNC(=O)c1cccnc1 c2b82d345410e46672bb9c640f03af28 [0,1,0,0,0,0|1,0,1]=3 65 B11R1.16 N#CNC(=O)c1cccnn1 c680851cc264c92361c2612036d90a3a [0,1,0,0,0,0|2,0,1]=4 66 B11R1.16 N#CNC(=O)c1ccncc1 dde9d92b87aad3cf8dd07b22dfcbdb4b [0,1,0,0,0,0|1,0,1]=3 67 B11R1.16 N#CNC(=O)c1ccncn1 227792b29bce7063dbb002d07a96c951 [0,1,0,0,0,0|2,0,1]=4 68 B11R1.16 N#CNC(=O)c1cnccn1 e7129f0275cee37c93e095f79c6d2157 [0,1,0,0,0,0|2,0,1]=4 69 B11R1.16 N#CNC(=O)c1cncnc1 7ecb82dc72b7d4d73c96f376bab2cd4c [0,1,0,0,0,0|2,0,1]=4 70 B11R1.16 N#CNC(=O)c1ncccn1 17e625050cc2a50cf888b1692aecfd73 [0,1,0,0,0,0|2,0,1]=4 71 B11R1.22 CCN(C)c1ccc(cc1)F 37e2d475a9bd3cfcf296a94fc69fd067 [0,1,0,0,0,0|3,0,0]=4 72 B11R1.22 CCN(C)c1ccc(cc1)I 6deef7aec400603f68eb68f0833942ec [0,1,0,0,0,0|3,0,0]=4 73 B11R1.22 CCN(C)c1ccc(cc1)S 429f96f94511567839fe68b5edd62f1c [0,1,0,0,0,0|3,0,0]=4 74 B11R1.23 CCN(C)c1cccc(c1)Br b9912e02c1f17bb41ebd144c9e9202ee [0,1,0,0,0,0|3,0,0]=4 75 B11R1.23 CCN(C)c1cccc(c1)F 430101ed975145c517dcbcb463820b73 [0,1,0,0,0,0|3,0,0]=4 76 B11R1.222 CCN(C)c1ccccc1C 9f04b12bb5b89a6592eb728905a01c8b [0,1,0,0,0,0|3,0,0]=4 77 B11R1.222 CCN(C)c1ccccc1F f232548c9b2f85032dbceb393dfbf769 [0,1,0,0,0,0|3,0,0]=4 78 B11R1.40 C#CC(=O)Nc1ccccn1 c1462a2e7dbd34f49e0ec8b0b6e4c099 [0,0,0,0,0,1|2,0,1]=4 79 B11R1.40 C#CC(=O)Nc1cccnc1 fede9ede802accf01a2dd7068bdd2f92 [0,0,0,0,0,1|2,0,1]=4 80 B11R1.40 C#CC(=O)Nc1ccncc1 7e9563fca94f65240a5e54094d485c14 [0,0,0,0,0,1|2,0,1]=4 81 B11R1.40 C=CC(=O)Nc1ccccc1 5f69a60f76bf8d4845a783c3048b2563 [0,0,0,0,0,1|1,0,1]=3 82 B11R1.40 C=CC(=O)Nc1ccccn1 34fef90711dfcaefc277492e72bbe936 [0,0,0,0,0,1|2,0,1]=4 83 B11R1.40 C=CC(=O)Nc1cccnc1 de5c772a8cda94a68da43551d49c0fce [0,0,0,0,0,1|2,0,1]=4 84 B11R1.40 C=CC(=O)Nc1ccncc1 415f0c78f33533c78fc6ab46a82fb4b2 [0,0,0,0,0,1|2,0,1]=4 85 B11R1.40 CCC(=O)Nc1ccccn1 5f642c62afae0a49ab875733e55fde1b [0,0,0,0,0,1|2,0,0]=3 86 B11R1.40 CCC(=O)Nc1cccnc1 3f3732eaee579e7903ad30638bf6459b [0,0,0,0,0,1|2,0,0]=3 87 B11R1.40 CCC(=O)Nc1cccnn1 591c7e40d773c7240b2e6c26eda21683 [0,0,0,0,0,1|3,0,0]=4 88 B11R1.40 CCC(=O)Nc1ccncn1 b77f302a19ddecbb1a61c216faedf774 [0,0,0,0,0,1|3,0,0]=4 89 B11R1.40 CCC(=O)Nc1cnccn1 e2ac897815fa11a06d867bf7943d000f [0,0,0,0,0,1|3,0,0]=4 90 B11R1.40 CCC(C)Nc1ccccc1 0d73dedeab1dd8f5149c3124f0b802dc [0,0,0,0,0,1|2,0,1]=4 91 B11R1.40 CCN(C)Cc1ccccc1 c214a7b7c23665abe56278baaf98348b [0,0,0,0,0,1|3,0,0]=4 92 B11R1.40 CC[C@@H](C)Nc1ccccc1 405a065880ecff40d5c3aba49f23a60f [0,0,0,0,0,1|2,0,1]=4 93 B11R1.40 CC[C@H](C)Nc1ccccc1 bdf0fca4eb541010d4b75cf2b0618571 [0,0,0,0,0,1|2,0,1]=4 94 B11R1.40 O=C(CF)Nc1ccccn1 2ce6af3846508f1cbf20b58b7e69e973 [0,0,0,0,0,1|3,0,0]=4 95 B11R1.40 O=C(CF)Nc1cccnc1 5e2dc67f59a0ee35b818f3c738a2672a [0,0,0,0,0,1|3,0,0]=4 96 B11R1.40 O=C(CO)Nc1ccccn1 ac93149c4969ed513b19c3eba5f007d7 [0,0,0,0,0,1|3,0,0]=4 97 B11R1.40 O=C(CO)Nc1cccnc1 c1618f12da4bc6c07033d2147d5e05a1 [0,0,0,0,0,1|3,0,0]=4 98 B11R1.40 O=C(CS)Nc1ccccn1 a5e554850131abc66cd7cf28616b9ec8 [0,0,0,0,0,1|3,0,0]=4 99 B11R1.40 O=CC(=O)Nc1ccccc1 d69489ae088f523aa236921a313e92a5 [0,0,0,0,0,1|2,0,0]=3 100 B11R1.40 O=CC(=O)Nc1ccccn1 9dee939f22a8949e3604743fdb4606fc [0,0,0,0,0,1|3,0,0]=4 101 B11R1.40 O=CC(=O)Nc1cccnc1 4483235651c46310384ecdfb83cf0459 [0,0,0,0,0,1|3,0,0]=4 102 B11R1.40 O=CC(=O)Nc1ccncc1 4b5bab6fe314b5f2251f228c60250dcd [0,0,0,0,0,1|3,0,0]=4 103 B10R1.1 CCNc1ccc(cc1)Br e7368b650d842df07f1a9668bf0b4031 [1,1,0,0,0,0|2,0,0]=4 104 B10R1.1 CCNc1ccc(cc1)C 5bd280a2c0e051bd626f67ade06cc665 [1,1,0,0,0,0|2,0,0]=4 105 B10R1.1 CCNc1ccc(cc1)Cl 78a77ff2de1029463881d0096e3c40b4 [1,1,0,0,0,0|2,0,0]=4 106 B10R1.1 CCNc1ccc(cc1)F 7245e23faec7214139cc638d5d7041df [1,1,0,0,0,0|2,0,0]=4 107 B10R1.1 CCNc1ccc(cc1)I 08dbf719260fe2b9101a362dcb5b3f5c [1,1,0,0,0,0|2,0,0]=4 108 B10R1.1 CCNc1ccc(cc1)S d391e984cf82ddd3585ab73e3af8af78 [1,1,0,0,0,0|2,0,0]=4 109 B10R1.1 CCOc1ccc(cc1)Br 0e76a95a836dd2981a43d0b194227fd8 [1,1,0,0,0,0|2,0,0]=4 110 B10R1.1 CCOc1ccc(cc1)C 26efd14f9e8649940b64cdf1b3738f1b [1,1,0,0,0,0|2,0,0]=4 111 B10R1.1 CCOc1ccc(cc1)Cl 945eb2c259d4cb8905c1789c25d510a9 [1,1,0,0,0,0|2,0,0]=4 112 B10R1.1 CCOc1ccc(cc1)F 5faab7d15ff0cf2f779560e4d5e7448c [1,1,0,0,0,0|2,0,0]=4 113 B10R1.1 CCOc1ccc(cc1)I 53aa34317b2540d22d9ec7de628cac3d [1,1,0,0,0,0|2,0,0]=4 114 B10R1.1 CCOc1ccc(cc1)S 99269a211e814d9abbdc09864e525389 [1,1,0,0,0,0|2,0,0]=4 115 B10R1.4 CCNc1ccccc1Cl 2dfb513d252d373232906f5030075d40 [1,1,0,0,0,0|2,0,0]=4 116 B10R1.4 CCNc1ccccc1F 7ab2c72548cf5934972f59a05bcf3b98 [1,1,0,0,0,0|2,0,0]=4 117 B10R1.4 CCNc1ccccc1I a15e1e777d9cb3c3c67c713eae1f152f [1,1,0,0,0,0|2,0,0]=4 118 B10R1.4 CCOc1ccccc1C dc9ee1b6b8a241cf6f51757c9fedb385 [1,1,0,0,0,0|2,0,0]=4 119 B10R1.4 CCOc1ccccc1Cl 9b9ed61fe6629f2df6b1eaddc9ec2e8a [1,1,0,0,0,0|2,0,0]=4 120 B10R1.4 CCOc1ccccc1F 41f85306b1c4b7c4daecba5a00d66cce [1,1,0,0,0,0|2,0,0]=4 121 B10R1.4 CCOc1ccccc1I 3bfd90529c85539df6076f624de1f80d [1,1,0,0,0,0|2,0,0]=4 122 B10R1.10 CCNc1cccc(c1)Br 3559ffa0b462d1bd714cf3ca993ed95e [1,1,0,0,0,0|2,0,0]=4 123 B10R1.10 CCNc1cccc(c1)C 7e90094bdff0d2ffec0927834a6a088a [1,1,0,0,0,0|2,0,0]=4 124 B10R1.10 CCNc1cccc(c1)Cl e86c6a0dbdc5ec7691435dfb2bf0caac [1,1,0,0,0,0|2,0,0]=4 125 B10R1.10 CCNc1cccc(c1)F fb10d26ad355d9adf069631a680226b5 [1,1,0,0,0,0|2,0,0]=4 126 B10R1.10 CCNc1cccc(c1)I 9531fa5d8f78367f3126484c4e782fa9 [1,1,0,0,0,0|2,0,0]=4 127 B10R1.10 CCNc1cccc(c1)S a44d310b6eb926e6cc396b05b3cff23a [1,1,0,0,0,0|2,0,0]=4 128 B10R1.10 CCOc1cccc(c1)Br 59b0f5cf1b6eeed19f09ca4b10ff10f6 [1,1,0,0,0,0|2,0,0]=4 129 B10R1.10 CCOc1cccc(c1)C c484b8098bb494764323b4d807c3d871 [1,1,0,0,0,0|2,0,0]=4 130 B10R1.10 CCOc1cccc(c1)Cl 0302a2b3778df08595f07cb1f730b10b [1,1,0,0,0,0|2,0,0]=4 131 B10R1.10 CCOc1cccc(c1)F e3c752114bd9c3d3cb33513b156f9036 [1,1,0,0,0,0|2,0,0]=4 132 B10R1.10 CCOc1cccc(c1)I 0d8a8a4223f2d3d3697a5720204df0bd [1,1,0,0,0,0|2,0,0]=4 133 B10R1.10 CCOc1cccc(c1)S 0a6998f5983825c4343bcc0ed4a9090c [1,1,0,0,0,0|2,0,0]=4 134 B10R1.17 BrCCNc1ccccc1 08c39138e90dcc3ad4c25fdba0569b67 [1,1,0,0,0,0|2,0,0]=4 135 B10R1.17 CCCNc1ccccc1 b539dcf8361adb43cc5ffbb8617222f9 [1,1,0,0,0,0|1,0,1]=4 136 B10R1.17 CCNCc1ccccc1 b1285c6596ffdf0473a3780bf23df272 [1,1,0,0,0,0|0,0,1]=3 137 B10R1.17 CCNCc1ccccn1 18cfef8413e038075fdfe85720c8bb60 [1,1,0,0,0,0|1,0,1]=4 138 B10R1.17 CCNCc1cccnc1 ef83bfb13d2744bc293d6f1d68f67b86 [1,1,0,0,0,0|1,0,1]=4 139 B10R1.17 CCNCc1ccncc1 2e26d8de78e71e06bcd28df387653244 [1,1,0,0,0,0|1,0,1]=4 140 B10R1.17 CCOCc1ccccc1 551a24ad73c54bc42b4e27015fdb411f [1,1,0,0,0,0|1,0,1]=4 141 B10R1.17 COCNc1ccccc1 6c62c6b48b6ce69fe29d4b52e03d5674 [1,1,0,0,0,0|1,0,1]=4 142 B10R1.17 CSCNc1ccccc1 7a27a5c68b132b0ae36908396631930e [1,1,0,0,0,0|1,0,1]=4 143 B10R1.17 FCCNc1ccccc1 f275d2eb426a2818882d3c7dcacca572 [1,1,0,0,0,0|2,0,0]=4 144 B10R1.17 FCNCc1ccccc1 0dcd541b35f2d813e3bd4529f13aa61b [1,1,0,0,0,0|0,0,1]=3 145 B10R1.17 FCNCc1ccccn1 14327276004818c05fc55a3ce987673c [1,1,0,0,0,0|1,0,1]=4 146 B10R1.17 FCNCc1cccnc1 303a68c3e72902076a5285aac654492a [1,1,0,0,0,0|1,0,1]=4 147 B10R1.17 FCNCc1ccncc1 f86a74e0d1d92929ce958fb624476f4c [1,1,0,0,0,0|1,0,1]=4 148 B10R1.17 FCOCc1ccccc1 602c85a0828834d1798ab6d91c5aa92b [1,1,0,0,0,0|1,0,1]=4 149 B10R1.17 ICCNc1ccccc1 2e8d29f41a7952c3a309dd8ce57744b3 [1,1,0,0,0,0|2,0,0]=4 150 B10R1.17 N#CNCc1ccccc1 a34d70ab939a88101ebb668f17250d10 [1,1,0,0,0,0|0,0,2]=4 151 B10R1.17 O=CNCc1ccccc1 8c79f42269c527e7ed1741ce8019791f [1,1,0,0,0,0|0,0,2]=4 152 B10R1.17 OCCNc1ccccc1 39a30f826fab6ed2b66a9ec4a9dddbdb [1,1,0,0,0,0|2,0,0]=4 153 B10R1.17 OCNCc1ccccc1 c4aaeb48f32c090af3c65531a6e27cd4 [1,1,0,0,0,0|0,0,1]=3 154 B10R1.17 OCNCc1ccccn1 9488b9a65408dc593594baac432012ff [1,1,0,0,0,0|1,0,1]=4 155 B10R1.17 OCNCc1cccnc1 86bd6343ace558a3752eaa3d1a554844 [1,1,0,0,0,0|1,0,1]=4 156 B10R1.17 OCNCc1ccncc1 31d693e5cbaa1006fa13d8924b3493eb [1,1,0,0,0,0|1,0,1]=4 157 B10R1.17 SCCNc1ccccc1 9bbad99372906cf90d9dd5df1e41681f [1,1,0,0,0,0|2,0,0]=4 158 B10R1.18 CC(C)Nc1ccccc1 678b2595d663b993cd638fb4df86366a [1,1,0,0,0,0|2,0,0]=4 159 B10R1.11 N#CNC(=O)c1ccco1 1adef430898af33746a6c9ec84528171 [0,1,0,0,1,0|1,0,1]=4 160 B10R1.11 N#CNC(=O)c1cccs1 095e1c1f89cfea00e92ac1d8c8d62e1e [0,1,0,0,1,0|1,0,1]=4 161 B10R1.11 N#CNC(=O)c1ccoc1 fd490ae94953a53a6f42acebb64c722f [0,1,0,0,1,0|1,0,1]=4 162 B10R1.11 N#CNC(=O)c1ccsc1 fbf513bfb57854f89c3a3fd08fac93e7 [0,1,0,0,1,0|1,0,1]=4 163 B12R1.32 C/C=C/C(=O)Nc1ccccc1 b9c2b2bab8539dcad71e0f1bcc0d5a7b [0,1,0,0,0,1|1,0,0]=3 164 B12R1.32 C/C=C/C(=O)Nc1ccccn1 fbe15365814713cb3247d141f6602b0f [0,1,0,0,0,1|2,0,0]=4 165 B12R1.32 C/C=C/C(=O)Nc1cccnc1 8cf296947079f8325abe699420205b81 [0,1,0,0,0,1|2,0,0]=4 166 B12R1.32 C/C=C/C(=O)Nc1ccncc1 d3f4c9e98c88e27822a3b9f2a12890a8 [0,1,0,0,0,1|2,0,0]=4 167 B12R1.32 C=CCC(=O)Nc1ccccc1 451f938fb966a6692f9501119d2a34ad [0,1,0,0,0,1|1,0,1]=4 168 B12R1.32 CC#CC(=O)Nc1ccccn1 902333397cccd0aa6462376c2fd0cbee [0,1,0,0,0,1|2,0,0]=4 169 B12R1.32 CC#CC(=O)Nc1cccnc1 93165a8795d8cfffad74427dec01bf55 [0,1,0,0,0,1|2,0,0]=4 170 B12R1.32 CC#CC(=O)Nc1ccncc1 fa3c34eb036f3f3352d0feb1a8ccfe88 [0,1,0,0,0,1|2,0,0]=4 171 B12R1.32 CCCC(=O)Nc1ccccn1 30e4202bb65eed068849d33fec5b876c [0,1,0,0,0,1|2,0,0]=4 172 B12R1.32 CCCC(=O)Nc1cccnc1 565344d4bc011d959128a96e7e1c2253 [0,1,0,0,0,1|2,0,0]=4 173 B12R1.32 COCC(=O)Nc1ccccn1 f9e6fd9fc57ce0d213e8a8a98f19e960 [0,1,0,0,0,1|2,0,0]=4 174 B12R1.32 COCC(=O)Nc1cccnc1 e27fb687fb4d23b787105034a2444ccc [0,1,0,0,0,1|2,0,0]=4 175 B12R1.32 CSCC(=O)Nc1ccccn1 2d7cc7e6303b185d13666b92f5dbb824 [0,1,0,0,0,1|2,0,0]=4 176 B12R1.32 N#CNC(=O)Cc1ccccn1 443282b08fa4aef38355f1f513029300 [0,1,0,0,0,1|1,0,1]=4 177 B12R1.32 N#CNC(=O)Cc1cccnc1 6c7df58fa8a83d8acc74a228c27c0e6b [0,1,0,0,0,1|1,0,1]=4 178 B12R1.32 N#CNC(=O)Cc1ccncc1 1fbad31d36a5a2e4482c77173a2f72e6 [0,1,0,0,0,1|1,0,1]=4 179 B12R1.32 NOCC(=O)Nc1ccccc1 c5d51d2b3f28976c6bd3c98cfe9f6a86 [0,1,0,0,0,1|2,0,0]=4 180 B12R1.32 O=C(/C=C/Br)Nc1ccccc1 92c7f3d57436960f176d052986c2a2e2 [0,1,0,0,0,1|1,0,1]=4 181 B12R1.32 O=C(/C=C/Cl)Nc1ccccc1 bb0b9b3a88b304515fa8c526107c3625 [0,1,0,0,0,1|1,0,1]=4 182 B12R1.32 O=C(/C=C/I)Nc1ccccc1 d8a8f97dca4abb25514c9a055253e119 [0,1,0,0,0,1|1,0,1]=4 183 B12R1.32 O=C(/C=C\Br)Nc1ccccc1 776fd333f2d22c19068e01efe5b83c76 [0,1,0,0,0,1|1,0,1]=4 184 B12R1.32 O=C(/C=C\Cl)Nc1ccccc1 c480f1890f14db221e610fb49af268bb [0,1,0,0,0,1|1,0,1]=4 185 B12R1.32 O=C(/C=C\I)Nc1ccccc1 71a6abfd35167f20eb1ed55ba75c05dd [0,1,0,0,0,1|1,0,1]=4 186 B12R1.32 O=C(C=CBr)Nc1ccccc1 626328bc468ff4a17ca9ef770e654be0 [0,1,0,0,0,1|1,0,1]=4 187 B12R1.32 O=C(C=CI)Nc1ccccc1 5d838b813492e319cee62c8bc51cf296 [0,1,0,0,0,1|1,0,1]=4 188 B12R1.32 O=C(CCF)Nc1ccccn1 ea4bc5548f168ed71070545911778e1d [0,1,0,0,0,1|2,0,0]=4 189 B12R1.32 O=C(CCF)Nc1cccnc1 27cc6ce3cafa0f7021060e23d63d84c4 [0,1,0,0,0,1|2,0,0]=4 190 B12R1.32 O=C(CCF)Nc1ccncc1 6c20c4b947431aaadc0dccf950c741d3 [0,1,0,0,0,1|2,0,0]=4 191 B12R1.32 O=C(CCO)Nc1ccccn1 21dc9f5a4df84121109c1b09cc607124 [0,1,0,0,0,1|2,0,0]=4 192 B12R1.32 O=C(CCO)Nc1cccnc1 99259424f2fd7eed4113ee6e569a0bc6 [0,1,0,0,0,1|2,0,0]=4 193 B12R1.32 O=C(CCS)Nc1ccccn1 e13765f0524ae0b0a39d40550d3f4621 [0,1,0,0,0,1|2,0,0]=4 194 B12R1.32 O=C(CCS)Nc1cccnc1 bad7c1c02fed6e2253543d520b84fc48 [0,1,0,0,0,1|2,0,0]=4 195 B12R1.32 O=CCC(=O)Nc1ccccc1 82edb9a4ff8811bb5cbe33bf24448e1c [0,1,0,0,0,1|1,0,1]=4 196 B12R1.34 C=CC(=O)N(C)c1ccccc1 8baca86d71e1f07fdf4903690f6dba66 [0,1,0,0,0,1|1,0,1]=4 197 B12R1.34 CCC(=O)N(C)c1ccccn1 cc0eb221a60406ee5f24214604bff618 [0,1,0,0,0,1|2,0,0]=4 198 B12R1.34 CCC(=O)N(C)c1cccnc1 793f92686f1ccbd2172f68787ec14c1e [0,1,0,0,0,1|2,0,0]=4 199 B12R1.34 CCC(=O)N(C)c1ccncc1 8c57e05d4e7da769fe950863d4417212 [0,1,0,0,0,1|2,0,0]=4 200 B12R1.34 CN(C(=O)C=O)c1ccccc1 1d97c61cccaaa710ce75e3fe903e984c [0,1,0,0,0,1|2,0,0]=4 201 B12R1.34 CN(C(=O)CO)c1ccccc1 92a87ead36fd016ea91f9e7ab45bfb02 [0,1,0,0,0,1|2,0,0]=4 202 B12R1.43 C=C(C)C(=O)Nc1ccccn1 52fd6fecf3a1135fc9da6c596542358b [0,1,0,0,0,1|2,0,0]=4 203 B12R1.43 C=C(C)C(=O)Nc1cccnc1 7ddd3f9f95ca11bda147a3d3eae678d2 [0,1,0,0,0,1|2,0,0]=4 204 B12R1.43 C=C(C)C(=O)Nc1ccncc1 a6503895f463ead4cfde686cd1ac4ab0 [0,1,0,0,0,1|2,0,0]=4 205 B12R1.43 CC(=O)C(=O)Nc1ccccn1 42204ec4ac911fab168279826217b2fd [0,1,0,0,0,1|2,0,0]=4 206 B12R1.43 CC(=O)C(=O)Nc1cccnc1 086af3aba20ae365b3dec827ae002166 [0,1,0,0,0,1|2,0,0]=4 207 B12R1.43 CC(=O)C(=O)Nc1ccncc1 3e894dd89d9bd96b684380f99830dbca [0,1,0,0,0,1|2,0,0]=4 208 B12R1.43 CC(F)C(=O)Nc1cccnc1 8e06904db02f28f8551a4c62cdb0567e [0,1,0,0,0,1|2,0,0]=4 209 B12R1.43 CC(O)C(=O)Nc1ccccn1 f1d6303cd0d3b7df7383a33060640cf2 [0,1,0,0,0,1|2,0,0]=4 210 B12R1.43 CC(O)C(=O)Nc1cccnc1 a6d8461b9d4871e9e14a4c125c563fab [0,1,0,0,0,1|2,0,0]=4 211 B12R1.43 CC(O)C(=O)Nc1ccncc1 5f38f891f7bf86acd8ff4507d609ca19 [0,1,0,0,0,1|2,0,0]=4 212 B12R1.43 CC(S)C(=O)Nc1ccccn1 6d0c7c3706380b1cb2cf4c87c48e0868 [0,1,0,0,0,1|2,0,0]=4 213 B12R1.43 CC(S)C(=O)Nc1cccnc1 b6b76bef58796b77c7a1a29b3613d6b6 [0,1,0,0,0,1|2,0,0]=4 214 B12R1.43 CC(S)C(=O)Nc1ccncc1 340d8d7c6f5a85df6b13c5f339034dcb [0,1,0,0,0,1|2,0,0]=4 215 B12R1.43 C[C@@H](F)C(=O)Nc1cccnc1 b1353115539c393aa2db2fafcea74748 [0,1,0,0,0,1|2,0,0]=4 216 B12R1.43 C[C@@H](O)C(=O)Nc1ccccn1 20404072193521e4c24d9cd80d7ff514 [0,1,0,0,0,1|2,0,0]=4 217 B12R1.43 C[C@@H](O)C(=O)Nc1cccnc1 1f46b38a6f9fc93718ab3b927f346130 [0,1,0,0,0,1|2,0,0]=4 218 B12R1.43 C[C@@H](O)C(=O)Nc1ccncc1 196aea65f4f06495d0e80a2672b6d60d [0,1,0,0,0,1|2,0,0]=4 219 B12R1.43 C[C@H](F)C(=O)Nc1cccnc1 83b362882ee5612e2ec945e60b0e5b9c [0,1,0,0,0,1|2,0,0]=4 220 B12R1.43 C[C@H](O)C(=O)Nc1ccccn1 10afc9763efda53effac1a6da94c3576 [0,1,0,0,0,1|2,0,0]=4 221 B12R1.43 C[C@H](O)C(=O)Nc1cccnc1 ec61428d6808a30af6e5a1bbccc688ed [0,1,0,0,0,1|2,0,0]=4 222 B12R1.43 C[C@H](O)C(=O)Nc1ccncc1 d03198d60543ea33e6296ae8259bf97a [0,1,0,0,0,1|2,0,0]=4 223 B12R1.49 C#CC(=O)Nc1ccc(cc1)C ace77eb590c7a9e38589e3663e368373 [0,1,0,0,0,1|1,0,1]=4 224 B12R1.49 C#CC(=O)Nc1ccc(cc1)F 9ff37543b1e255de7bc1a5bea6369b0c [0,1,0,0,0,1|1,0,1]=4 225 B12R1.49 C#CC(=O)Nc1ccc(cc1)I a513f84544e8c665d559733003b7b511 [0,1,0,0,0,1|1,0,1]=4 226 B12R1.49 C#CC(=O)Nc1ccc(cc1)O 2919883b2a2b3f4cd41342ad4259b466 [0,1,0,0,0,1|1,0,1]=4 227 B12R1.49 C#CC(=O)Nc1ccc(cc1)S 782ce90740b106c0d6e3248ef3a27009 [0,1,0,0,0,1|1,0,1]=4 228 B12R1.49 C=CC(=O)Nc1ccc(cc1)Br 6cecec7955feef2076bf8351c0460270 [0,1,0,0,0,1|1,0,1]=4 229 B12R1.49 C=CC(=O)Nc1ccc(cc1)C 2bb9c415f93b91b1fc81d811241ce339 [0,1,0,0,0,1|1,0,1]=4 230 B12R1.49 C=CC(=O)Nc1ccc(cc1)Cl 52f6038791beadcf2443ea721c275a78 [0,1,0,0,0,1|1,0,1]=4 231 B12R1.49 C=CC(=O)Nc1ccc(cc1)F 705a7bd65ef53db87c3ccc3667181fd2 [0,1,0,0,0,1|1,0,1]=4 232 B12R1.49 C=CC(=O)Nc1ccc(cc1)I 33b107a2733fcd228990a0271285ccb8 [0,1,0,0,0,1|1,0,1]=4 233 B12R1.49 C=CC(=O)Nc1ccc(cc1)O 4e8fbb1ed030dd9d83f4fcdb7e73d74f [0,1,0,0,0,1|1,0,1]=4 234 B12R1.49 C=CC(=O)Nc1ccc(cc1)S aee5e347f86bd4454672bdd2818d9731 [0,1,0,0,0,1|1,0,1]=4 235 B12R1.49 CCC(=O)Nc1ccc(cc1)C 79f85c340b8d9f58b49d7b6f9a8dfc11 [0,1,0,0,0,1|1,0,0]=3 236 B12R1.49 CCC(=O)Nc1ccc(cc1)F 83296be78013d22bde288706294cc3c2 [0,1,0,0,0,1|1,0,0]=3 237 B12R1.49 CCC(=O)Nc1ccc(cc1)I ea4449478b305bcdf4993b64150ff83b [0,1,0,0,0,1|1,0,0]=3 238 B12R1.49 CCC(=O)Nc1ccc(cc1)S 16412742e86774c316b42ab9bc2f75dc [0,1,0,0,0,1|1,0,0]=3 239 B12R1.49 CCC(=O)Nc1ccc(cn1)C dc8f930a05abd2a9e068e6a02b9ef806 [0,1,0,0,0,1|2,0,0]=4 240 B12R1.49 CCC(=O)Nc1ccc(cn1)Cl 0b839e794f2c1bf7425f5ed24378f3db [0,1,0,0,0,1|2,0,0]=4 241 B12R1.49 CCC(=O)Nc1ccc(cn1)F b43a76b39a00c0ed1f501a2e3d3ad7c0 [0,1,0,0,0,1|2,0,0]=4 242 B12R1.49 CCC(=O)Nc1ccc(cn1)I ccc68c0ad462881fdefbf82d4a878bdb [0,1,0,0,0,1|2,0,0]=4 243 B12R1.49 CCC(=O)Nc1ccc(cn1)O 5923874205a8d7f3bceda9e8b97faed2 [0,1,0,0,0,1|2,0,0]=4 244 B12R1.49 Cc1ccc(cc1)NC(=O)C=O 8b3e573e7a74e87e746c2bc81ca07e70 [0,1,0,0,0,1|2,0,0]=4 245 B12R1.49 O=C(CF)Nc1ccc(cc1)S ffd007f6d429c4cc01bc35a0a9bc0c4b [0,1,0,0,0,1|2,0,0]=4 246 B12R1.49 O=C(CO)Nc1ccc(cc1)S 1f7438a0d638af8df2912f2825545a62 [0,1,0,0,0,1|2,0,0]=4 247 B12R1.49 O=C(CS)Nc1ccc(cc1)S dd44512130a111ab4104d09216220ff1 [0,1,0,0,0,1|2,0,0]=4 248 B12R1.49 O=CC(=O)Nc1ccc(cc1)Br fc5a95154d25e5b30033e4955486052d [0,1,0,0,0,1|2,0,0]=4 249 B12R1.49 O=CC(=O)Nc1ccc(cc1)Cl 681dbcba30adac27f90acb5611705f13 [0,1,0,0,0,1|2,0,0]=4 250 B12R1.49 O=CC(=O)Nc1ccc(cc1)F 52ce11eaba00fcec9a2f58fdbba6fe7e [0,1,0,0,0,1|2,0,0]=4 251 B12R1.49 O=CC(=O)Nc1ccc(cc1)I 3baa48a55426055740ecacff89a9f6a4 [0,1,0,0,0,1|2,0,0]=4 252 B12R1.49 O=CC(=O)Nc1ccc(cc1)O 0ba7f76c16b99887af7eca1898068955 [0,1,0,0,0,1|2,0,0]=4 253 B12R1.49 O=CC(=O)Nc1ccc(cc1)S 4c0e76f97aa43d9cd9065d3d4295f4e7 [0,1,0,0,0,1|2,0,0]=4 254 B12R1.50 C#CC(=O)Nc1cccc(c1)C 990cde613fc44142fd3c262287a1d5fb [0,1,0,0,0,1|1,0,1]=4 255 B12R1.50 C#CC(=O)Nc1cccc(c1)F e07d278a8b9f81e88644dae8c3eca570 [0,1,0,0,0,1|1,0,1]=4 256 B12R1.50 C#CC(=O)Nc1cccc(c1)I 46953a16818597d9de6703dfae8e21dc [0,1,0,0,0,1|1,0,1]=4 257 B12R1.50 C#CC(=O)Nc1cccc(c1)O 9f8a391acf2759b94c22fb050a667109 [0,1,0,0,0,1|1,0,1]=4 258 B12R1.50 C=CC(=O)Nc1cccc(c1)Br ae7d338e2314c4ff20be4f2d3adaaf4c [0,1,0,0,0,1|1,0,1]=4 259 B12R1.50 C=CC(=O)Nc1cccc(c1)C d548557b52a2efa30bffb47407de5415 [0,1,0,0,0,1|1,0,1]=4 260 B12R1.50 C=CC(=O)Nc1cccc(c1)Cl 40b33d2eaa3c4b0314b4d7740643bcdb [0,1,0,0,0,1|1,0,1]=4 261 B12R1.50 C=CC(=O)Nc1cccc(c1)F 9a1061206f885ff17b5dc379c028a769 [0,1,0,0,0,1|1,0,1]=4 262 B12R1.50 C=CC(=O)Nc1cccc(c1)I f5b91dcb8db600717056b8fbd7908800 [0,1,0,0,0,1|1,0,1]=4 263 B12R1.50 C=CC(=O)Nc1cccc(c1)O d9903fc4cc32bb7c205c89ad1773e260 [0,1,0,0,0,1|1,0,1]=4 264 B12R1.50 C=CC(=O)Nc1cccc(c1)S 0c45d1da054c5005e04c5adcecedaf9c [0,1,0,0,0,1|1,0,1]=4 265 B12R1.50 CCC(=O)Nc1cc(ccn1)C 1d7618afde375adfefdf9c2f31bd2fff [0,1,0,0,0,1|2,0,0]=4 266 B12R1.50 CCC(=O)Nc1cc(ccn1)F 071ca5d5cb017f5428577b7f6f2325a4 [0,1,0,0,0,1|2,0,0]=4 267 B12R1.50 CCC(=O)Nc1cc(ccn1)I ed1af49da25b4ff26af26ab88386335c [0,1,0,0,0,1|2,0,0]=4 268 B12R1.50 CCC(=O)Nc1cc(ccn1)O 1ef353f8b050760708e15292ba91a44f [0,1,0,0,0,1|2,0,0]=4 269 B12R1.50 CCC(=O)Nc1cccc(c1)C 2737599ddde5d8177973ef2c3a29d8a7 [0,1,0,0,0,1|1,0,0]=3 270 B12R1.50 CCC(=O)Nc1cccc(c1)F b1eed650df5e4ef8132194c2d238c576 [0,1,0,0,0,1|1,0,0]=3 271 B12R1.50 CCC(=O)Nc1cccc(c1)I 1adeed8de106dd6458bcd0d4c0edd210 [0,1,0,0,0,1|1,0,0]=3 272 B12R1.50 CCC(=O)Nc1cccc(n1)Br 27772a7bec8101cb78b370fa187d7d34 [0,1,0,0,0,1|2,0,0]=4 273 B12R1.50 CCC(=O)Nc1cccc(n1)C c18f1db6e12597c615253b10018a94d5 [0,1,0,0,0,1|2,0,0]=4 274 B12R1.50 CCC(=O)Nc1cccc(n1)F adb6fdf4007aa5fb64c5e5a46fdb6282 [0,1,0,0,0,1|2,0,0]=4 275 B12R1.50 CCC(=O)Nc1cccc(n1)I 2300ab8efeecab12bf80c9c9edadcebb [0,1,0,0,0,1|2,0,0]=4 276 B12R1.50 CCC(=O)Nc1ccnc(c1)F cf3c4ce4e13df3544c869c1dd8b2eb4f [0,1,0,0,0,1|2,0,0]=4 277 B12R1.50 CCC(=O)Nc1cncc(c1)C 21e21d64112d09411195a515e811a408 [0,1,0,0,0,1|2,0,0]=4 278 B12R1.50 CCC(=O)Nc1cncc(c1)F 69803880a3613863f28494a1cb8e0638 [0,1,0,0,0,1|2,0,0]=4 279 B12R1.50 Cc1cccc(c1)NC(=O)C=O 04381f8f7ac23bd03987503a439afe38 [0,1,0,0,0,1|2,0,0]=4 280 B12R1.50 O=C(CF)Nc1cccc(c1)I 25ec579d5e70890d6761642879a84416 [0,1,0,0,0,1|2,0,0]=4 281 B12R1.50 O=C(CO)Nc1cccc(c1)I b9f53ca927845b9cf845279d5be47e9f [0,1,0,0,0,1|2,0,0]=4 282 B12R1.50 O=CC(=O)Nc1cccc(c1)Br 0b4d429061eefcff1344b8d5ae8afff5 [0,1,0,0,0,1|2,0,0]=4 283 B12R1.50 O=CC(=O)Nc1cccc(c1)Cl 63429975e665bf674ac66611a432dda3 [0,1,0,0,0,1|2,0,0]=4 284 B12R1.50 O=CC(=O)Nc1cccc(c1)F 9d11cf99004061f4a772307f1c1aff3e [0,1,0,0,0,1|2,0,0]=4 285 B12R1.50 O=CC(=O)Nc1cccc(c1)I 4b62538f6251945ca73e3de6c44c610f [0,1,0,0,0,1|2,0,0]=4 286 B12R1.50 O=CC(=O)Nc1cccc(c1)O 9b1fdea8e7c547705fd265adf6658af8 [0,1,0,0,0,1|2,0,0]=4 287 B12R1.50 O=CC(=O)Nc1cccc(c1)S 31c8e468e4a29d9e0cb8e8f730db1296 [0,1,0,0,0,1|2,0,0]=4 288 B12R1.118 CCC(C=O)Nc1ccccc1 8973b461ada5e90cb6534721bdd5a0a6 [0,1,0,0,0,1|1,0,1]=4 289 B12R1.118 CCN(C=O)Cc1ccccc1 05bd4b36907bafd365c275012bc499e0 [0,1,0,0,0,1|2,0,0]=4 290 B12R1.371 C#CC(=O)Nc1ccccc1C b91e1644d00756e8c1337eeb17cc24a5 [0,1,0,0,0,1|1,0,1]=4 291 B12R1.371 C#CC(=O)Nc1ccccc1Cl c78207947dbfada5444a12a69195c94b [0,1,0,0,0,1|1,0,1]=4 292 B12R1.371 C#CC(=O)Nc1ccccc1F b10c26f7c2a087670a84457a879ff228 [0,1,0,0,0,1|1,0,1]=4 293 B12R1.371 C#CC(=O)Nc1ccccc1I 2f041279ada685fe17d26ce867ab665d [0,1,0,0,0,1|1,0,1]=4 294 B12R1.371 C#CC(=O)Nc1ccccc1O 2b944ad132dd387d3a4eaba76c3e95c3 [0,1,0,0,0,1|1,0,1]=4 295 B12R1.371 C#CC(=O)Nc1ccccc1S f9887ccb9996be282cea93caa62b7b21 [0,1,0,0,0,1|1,0,1]=4 296 B12R1.371 C=CC(=O)Nc1ccccc1Br e5d1f40bbb3972cd234b3d1559f149fb [0,1,0,0,0,1|1,0,1]=4 297 B12R1.371 C=CC(=O)Nc1ccccc1C acb3e10026991d61c64ba4069b9746f5 [0,1,0,0,0,1|1,0,1]=4 298 B12R1.371 C=CC(=O)Nc1ccccc1Cl 4977f0e6a6edb54dfe74c87f87185b5c [0,1,0,0,0,1|1,0,1]=4 299 B12R1.371 C=CC(=O)Nc1ccccc1F dbb2194c0b6b7ae61906b5bef156a80b [0,1,0,0,0,1|1,0,1]=4 300 B12R1.371 C=CC(=O)Nc1ccccc1I 1d2658ab33296a9656a08882644409fe [0,1,0,0,0,1|1,0,1]=4 301 B12R1.371 C=CC(=O)Nc1ccccc1O 9447ec7b0f9e158ab19bcffe70be1362 [0,1,0,0,0,1|1,0,1]=4 302 B12R1.371 C=CC(=O)Nc1ccccc1S 2b5292e4efc934dbb57e5219724c1b78 [0,1,0,0,0,1|1,0,1]=4 303 B12R1.371 CCC(=O)Nc1ccccc1Br 768a716ead2b99051a9616fb85a27937 [0,1,0,0,0,1|1,0,0]=3 304 B12R1.371 CCC(=O)Nc1ccccc1C 763387b0d89cfb82380d583a59f5a861 [0,1,0,0,0,1|1,0,0]=3 305 B12R1.371 CCC(=O)Nc1ccccc1Cl ef4576d4235b2be875b9c3bf387d3b96 [0,1,0,0,0,1|1,0,0]=3 306 B12R1.371 CCC(=O)Nc1ccccc1F faf1e60044081b206d26fc7146a1b9c6 [0,1,0,0,0,1|1,0,0]=3 307 B12R1.371 CCC(=O)Nc1ccccc1I 6553c7d43a126e629b0ccc3f1bd07b65 [0,1,0,0,0,1|1,0,0]=3 308 B12R1.371 CCC(=O)Nc1ccccc1O 6ec8129c7301f0a0a7cf43011d0730d5 [0,1,0,0,0,1|1,0,0]=3 309 B12R1.371 CCC(=O)Nc1ccccc1S 8fc39cf448fefd509c3c8b231a29d58a [0,1,0,0,0,1|1,0,0]=3 310 B12R1.371 CCC(=O)Nc1cccnc1C c899eb18d125ae79bda304f5d5a21c7b [0,1,0,0,0,1|2,0,0]=4 311 B12R1.371 CCC(=O)Nc1cccnc1Cl 504799db27d77759ea429fe3e29372ed [0,1,0,0,0,1|2,0,0]=4 312 B12R1.371 CCC(=O)Nc1cccnc1F 3a1d9f0154b79f07a219d52e90956681 [0,1,0,0,0,1|2,0,0]=4 313 B12R1.371 CCC(=O)Nc1cccnc1I f2f440152264654586a2b957dcb4b212 [0,1,0,0,0,1|2,0,0]=4 314 B12R1.371 CCC(=O)Nc1cccnc1O 33d60c9193c0358f5a8fde8536d66839 [0,1,0,0,0,1|2,0,0]=4 315 B12R1.371 CCC(=O)Nc1ccncc1Br a7a337fa2944d74a723407969db3425d [0,1,0,0,0,1|2,0,0]=4 316 B12R1.371 CCC(=O)Nc1ccncc1C cdc3b80a45179f2057f4eb28d828733a [0,1,0,0,0,1|2,0,0]=4 317 B12R1.371 CCC(=O)Nc1ccncc1F 0bcc06655d92cc85b4b8034f080d9722 [0,1,0,0,0,1|2,0,0]=4 318 B12R1.371 CCC(=O)Nc1ccncc1I 6bd5e4b36593d6512d0a0c13541830a4 [0,1,0,0,0,1|2,0,0]=4 319 B12R1.371 CCC(=O)Nc1cnccc1Br 2240966fc3891303f48effa49314790d [0,1,0,0,0,1|2,0,0]=4 320 B12R1.371 CCC(=O)Nc1cnccc1C 822967991038a28cb81ff791ee4b01f5 [0,1,0,0,0,1|2,0,0]=4 321 B12R1.371 CCC(=O)Nc1cnccc1F c62e530a992b49fefb4884ec1a4eae0b [0,1,0,0,0,1|2,0,0]=4 322 B12R1.371 CCC(=O)Nc1cnccc1I 292ea2d8a1c3a71cd590b6a4235753ef [0,1,0,0,0,1|2,0,0]=4 323 B12R1.371 CCC(=O)Nc1cnccc1O 77450b4559bbbe6b1eb49213492a6811 [0,1,0,0,0,1|2,0,0]=4 324 B12R1.371 CCC(=O)Nc1ncccc1C 08162a93be74e234a8d34a116e1eac3e [0,1,0,0,0,1|2,0,0]=4 325 B12R1.371 CCC(=O)Nc1ncccc1Cl aacdd242732d8c965daa972387dd7385 [0,1,0,0,0,1|2,0,0]=4 326 B12R1.371 CCC(=O)Nc1ncccc1F c96d0a3f1ebdfee8b3c2bcabce3856b8 [0,1,0,0,0,1|2,0,0]=4 327 B12R1.371 CCC(=O)Nc1ncccc1I 83e04c5a3f8edfaf43da6043d82f3360 [0,1,0,0,0,1|2,0,0]=4 328 B12R1.371 CCC(=O)Nc1ncccc1O de54eaf563ec1a1ce716ae7819d5be4e [0,1,0,0,0,1|2,0,0]=4 329 B12R1.371 Cc1ccccc1NC(=O)C=O c48e8fd2ba5e58f34d83735c8fa1debf [0,1,0,0,0,1|2,0,0]=4 330 B12R1.371 Cc1ccccc1NC(=O)CO 8d990dc3b3796a0c64c8b86b8490eb78 [0,1,0,0,0,1|2,0,0]=4 331 B12R1.371 O=C(CF)Nc1ccccc1F 2343ed0f0efb551eb96b6eb74ee1c5ec [0,1,0,0,0,1|2,0,0]=4 332 B12R1.371 O=C(CF)Nc1ccccc1I 91e304ac9ca5a0491b0a3dc3a0a5ef4e [0,1,0,0,0,1|2,0,0]=4 333 B12R1.371 O=C(CF)Nc1ccccc1O 9f0a34d95f343e3a8433cd838540d60c [0,1,0,0,0,1|2,0,0]=4 334 B12R1.371 O=C(CF)Nc1ccccc1S e27a27679988121b48c3f3c5bfc51b98 [0,1,0,0,0,1|2,0,0]=4 335 B12R1.371 O=C(CO)Nc1ccccc1F d20a35cb403e68671e72a0dd460c0485 [0,1,0,0,0,1|2,0,0]=4 336 B12R1.371 O=C(CO)Nc1ccccc1I 209ecbfb2e84cc7bc62f1762ecc4331e [0,1,0,0,0,1|2,0,0]=4 337 B12R1.371 O=C(CO)Nc1ccccc1O e8a188e3771eae8a4a1eca1b4e42b466 [0,1,0,0,0,1|2,0,0]=4 338 B12R1.371 O=C(CO)Nc1ccccc1S e3384ae87fb80eb0958c847fa331a653 [0,1,0,0,0,1|2,0,0]=4 339 B12R1.371 O=C(CS)Nc1ccccc1I b9dbdf95d505aceb18ed2418e28753aa [0,1,0,0,0,1|2,0,0]=4 340 B12R1.371 O=CC(=O)Nc1ccccc1Br 7058336679ba69d39674b3c86c28e3f9 [0,1,0,0,0,1|2,0,0]=4 341 B12R1.371 O=CC(=O)Nc1ccccc1Cl 9a72d75ca46083d23b6f52a31e240aa0 [0,1,0,0,0,1|2,0,0]=4 342 B12R1.371 O=CC(=O)Nc1ccccc1F 1f81a01759afe8571b5912fad33207bb [0,1,0,0,0,1|2,0,0]=4 343 B12R1.371 O=CC(=O)Nc1ccccc1I 673328a9d4095e886bbc6b7e908b5522 [0,1,0,0,0,1|2,0,0]=4 344 B12R1.371 O=CC(=O)Nc1ccccc1O e415f0146d0743efb0d7d2314f6f490f [0,1,0,0,0,1|2,0,0]=4 345 B12R1.371 O=CC(=O)Nc1ccccc1S 26651d9294816246534bfb73b52fa2e9 [0,1,0,0,0,1|2,0,0]=4 346 B12R1.39 CC(C)(NCF)c1ccccc1 edbd04c0a40b008dee076ea6123b2a3a [0,2,0,0,0,0|1,0,1]=4 347 B12R1.39 CC(C)(NCO)c1ccccc1 fb4c7e5860e9a5887317ede564ff1468 [0,2,0,0,0,0|1,0,1]=4 348 B12R1.39 CCNC(C)(C)c1ccccc1 2e6683f6142d34cb9ce8cfe15a82fe01 [0,2,0,0,0,0|1,0,1]=4 349 B12R1.3 C=CC(NCC)c1ccccc1 7683e9d7b82c3281238f04ed1a75e97e [0,2,0,0,0,0|1,0,1]=4 350 B12R1.3 C=CC(NCF)c1ccccc1 10ae09b5ad9c11712c1e0d307f5d7811 [0,2,0,0,0,0|1,0,1]=4 351 B12R1.3 C=CC(NCO)c1ccccc1 059bf4cd23c9defe529348afd9ac29e4 [0,2,0,0,0,0|1,0,1]=4 352 B12R1.3 C=C[C@@H](NCC)c1ccccc1 ce0bccab84f78d550cd5d29e0af99881 [0,2,0,0,0,0|1,0,1]=4 353 B12R1.3 C=C[C@@H](NCF)c1ccccc1 87007f2d58a77127e300760fa39eaa08 [0,2,0,0,0,0|1,0,1]=4 354 B12R1.3 C=C[C@@H](NCO)c1ccccc1 0443a692877053ff1e1a5a26e535fa7f [0,2,0,0,0,0|1,0,1]=4 355 B12R1.3 C=C[C@H](NCC)c1ccccc1 378688aa1f70c0c46a994c0dd710e214 [0,2,0,0,0,0|1,0,1]=4 356 B12R1.3 C=C[C@H](NCF)c1ccccc1 4fe754d8498c752ef4b3c99157f3177d [0,2,0,0,0,0|1,0,1]=4 357 B12R1.3 C=C[C@H](NCO)c1ccccc1 971121604f82db695e04bc0173604a06 [0,2,0,0,0,0|1,0,1]=4 358 B12R1.3 CCC(NC=O)c1ccccc1 f35c5a1e32ab8921cb0fd5e08b4f1f33 [0,2,0,0,0,0|1,0,1]=4 359 B12R1.3 CCC(NCF)c1ccccc1 ed86f14698723f0d42b213b4b8bf0e21 [0,2,0,0,0,0|1,0,1]=4 360 B12R1.3 CCC(NCO)c1ccccc1 162ffd02e2794d38a2def38bde94ce3c [0,2,0,0,0,0|1,0,1]=4 361 B12R1.3 CCCN(C=O)c1ccccc1 dd84a45c645f807d0c332ade8b13b5fc [0,2,0,0,0,0|2,0,0]=4 362 B12R1.3 CCN(CC=O)c1ccccc1 009c4a484e3ac4577aa247993a08c21a [0,2,0,0,0,0|2,0,0]=4 363 B12R1.3 CCNC(C#N)c1ccccc1 9c3c1340c48a32c7b7c4df075ca3e927 [0,2,0,0,0,0|1,0,1]=4 364 B12R1.3 CCNC(CC)c1ccccc1 545af735d01bd949c3ac8c0f705df1c5 [0,2,0,0,0,0|1,0,1]=4 365 B12R1.3 CCNC(CO)c1ccccc1 614d7335d28e1b76b7f75c607857ca9e [0,2,0,0,0,0|0,0,2]=4 366 B12R1.3 CCN[C@@H](CC)c1ccccc1 04d3b6bff3d1780d8e4393fe160a01a5 [0,2,0,0,0,0|1,0,1]=4 367 B12R1.3 CCN[C@@H](CF)c1ccccc1 ab49fd1b2fc91a1fdd527edfe33c19df [0,2,0,0,0,0|1,0,1]=4 368 B12R1.3 CCN[C@@H](CO)c1ccccc1 9d47715e51326d3f123529a31c888612 [0,2,0,0,0,0|0,0,2]=4 369 B12R1.3 CCN[C@H](CC)c1ccccc1 caae78d6c102af5eac580f83fa54bc70 [0,2,0,0,0,0|1,0,1]=4 370 B12R1.3 CCN[C@H](CO)c1ccccc1 73c9e00984005addb2e89adfbc35e5fb [0,2,0,0,0,0|0,0,2]=4 371 B12R1.3 CC[C@@H](NC=O)c1ccccc1 ebbf73246fa5e055d14598ff73ee74b9 [0,2,0,0,0,0|1,0,1]=4 372 B12R1.3 CC[C@@H](NCF)c1ccccc1 6f08188177f28f633cba50330514db2e [0,2,0,0,0,0|1,0,1]=4 373 B12R1.3 CC[C@@H](NCO)c1ccccc1 5d84ee4f86f004e922a53c121ca41963 [0,2,0,0,0,0|1,0,1]=4 374 B12R1.3 CC[C@H](NC=O)c1ccccc1 5b95454d2846027c7fee198531e3fbcd [0,2,0,0,0,0|1,0,1]=4 375 B12R1.3 CC[C@H](NCF)c1ccccc1 95804ae7f36e32213ebe989b5cd16cd1 [0,2,0,0,0,0|1,0,1]=4 376 B12R1.3 CC[C@H](NCO)c1ccccc1 d12bfbd0d9ffd6d724b18eeafaa4d3ef [0,2,0,0,0,0|1,0,1]=4 377 B12R1.3 FCN[C@@H](CF)c1ccccc1 7653dba4c4786a42a01c43c68d5b04cc [0,2,0,0,0,0|1,0,1]=4 378 B12R1.3 N#CC(NCF)c1ccccc1 f98eb0c12cea160e611c8a32cf94e460 [0,2,0,0,0,0|1,0,1]=4 379 B12R1.3 N#CC(NCO)c1ccccc1 3a25592688f62e9e2e1c0aa1965a0e6e [0,2,0,0,0,0|1,0,1]=4 380 B12R1.3 N#CNC(C=O)c1ccccc1 40cb884640f231bf51d3c969f91cc21b [0,2,0,0,0,0|0,0,2]=4 381 B12R1.3 O=CN(CCF)c1ccccc1 cecc898c90ae32628e1e22021418ffd8 [0,2,0,0,0,0|2,0,0]=4 382 B12R1.3 O=CN(CCO)c1ccccc1 2cfbca70005c73b7e0b1c55ae8b1e4cf [0,2,0,0,0,0|2,0,0]=4 383 B12R1.3 OCC(NCF)c1ccccc1 eaf7d36725e016b8868e5ee278bca73b [0,2,0,0,0,0|0,0,2]=4 384 B12R1.3 OCNC(CO)c1ccccc1 a3cd377c07e89cc8008c00850413e2fa [0,2,0,0,0,0|0,0,2]=4 385 B12R1.3 OCN[C@@H](CF)c1ccccc1 c48dbb78e8705925b437f732da4df883 [0,2,0,0,0,0|1,0,1]=4 386 B12R1.3 OCN[C@@H](CO)c1ccccc1 47e5ec93da6df8b6056499be137dbc47 [0,2,0,0,0,0|0,0,2]=4 387 B12R1.3 OCN[C@H](CO)c1ccccc1 a68f9bf02ebd1849a27bc4bc05035ca2 [0,2,0,0,0,0|0,0,2]=4 388 B12R1.3 OC[C@@H](NCF)c1ccccc1 0ac5a4dce202f249594459f5d60bcf4f [0,2,0,0,0,0|0,0,2]=4 389 B12R1.3 OC[C@H](NCF)c1ccccc1 590aacd64b7799646c86138b9bcd2be8 [0,2,0,0,0,0|0,0,2]=4 390 B12R1.12 CCN(C=O)c1ccc(cc1)Br a298ab7cad35aa1ec2d94ab133616023 [0,2,0,0,0,0|2,0,0]=4 391 B12R1.12 CCN(C=O)c1ccc(cc1)C eaf836ea6b842ec93e8182af29d7c16a [0,2,0,0,0,0|2,0,0]=4 392 B12R1.12 CCN(C=O)c1ccc(cc1)Cl 6d7f2c41f258ac2893043fece93c0214 [0,2,0,0,0,0|2,0,0]=4 393 B12R1.12 CCN(C=O)c1ccc(cc1)F 2859b23023e695a7ae2c4fbb44ca5434 [0,2,0,0,0,0|2,0,0]=4 394 B12R1.12 CCN(C=O)c1ccc(cc1)O d72c28d8849a639167bd91dd366b00c8 [0,2,0,0,0,0|2,0,0]=4 395 B12R1.13 CCN(C=O)c1cccc(c1)Br b09102eb19d6ee0066ff9da9f16802ad [0,2,0,0,0,0|2,0,0]=4 396 B12R1.13 CCN(C=O)c1cccc(c1)C 66edc5dcca08cc518c8d4208c202e614 [0,2,0,0,0,0|2,0,0]=4 397 B12R1.13 CCN(C=O)c1cccc(c1)Cl f1280dfd687af0662c8c7fc9e5804186 [0,2,0,0,0,0|2,0,0]=4 398 B12R1.13 CCN(C=O)c1cccc(c1)F ad8cef72c1f5d6136c2febaf674d8a33 [0,2,0,0,0,0|2,0,0]=4 399 B12R1.13 CCN(C=O)c1cccc(c1)O c24e9df2171a902944c8ed7e8a9c39cb [0,2,0,0,0,0|2,0,0]=4 400 B12R1.243 CCN(C=O)c1ccccc1Br 73f4c91f77b803e18289ea62f9f13e02 [0,2,0,0,0,0|2,0,0]=4 401 B12R1.243 CCN(C=O)c1ccccc1C 501349ea0d18ad0cf5fb9654d3271030 [0,2,0,0,0,0|2,0,0]=4 402 B12R1.243 CCN(C=O)c1ccccc1Cl fb9903b4c38df435792122a814bcd691 [0,2,0,0,0,0|2,0,0]=4 403 B12R1.243 CCN(C=O)c1ccccc1F c4fad30ba83c3c1c333ea47b8f9f6366 [0,2,0,0,0,0|2,0,0]=4 404 B12R1.243 CCN(C=O)c1ccccc1O 816b767689b3d33145efa1da1f0cf5f3 [0,2,0,0,0,0|2,0,0]=4 405 B12R1.16 CC(NCF)c1ccc(cc1)F e3184fa4c42ae84d1c9ef936216c69a2 [0,2,0,0,0,0|1,0,1]=4 406 B12R1.16 CC(NCF)c1ccc(cc1)I f2151bf5edf37061e6e1092a8c2147a8 [0,2,0,0,0,0|1,0,1]=4 407 B12R1.16 CC(NCO)c1ccc(cc1)Br e264284758536dfc8fd891f61c9a75cc [0,2,0,0,0,0|1,0,1]=4 408 B12R1.16 CC(NCO)c1ccc(cc1)Cl 50ceb9a6f3e8c24248339e2481d8c9af [0,2,0,0,0,0|1,0,1]=4 409 B12R1.16 CC(NCO)c1ccc(cc1)F 23a029e032bb878119d4a3308cec3264 [0,2,0,0,0,0|1,0,1]=4 410 B12R1.16 CC(NCO)c1ccc(cc1)I 5b775b5cd3bc6f45567774a49e261411 [0,2,0,0,0,0|1,0,1]=4 411 B12R1.16 CCNC(C)c1ccc(cc1)C a50a292b0f9ab98a935a045bf6f5df18 [0,2,0,0,0,0|1,0,1]=4 412 B12R1.16 CCNC(C)c1ccc(cc1)F 90b07bc2b2295f4c41db42242c518735 [0,2,0,0,0,0|1,0,1]=4 413 B12R1.16 CCNC(C)c1ccc(cc1)I 08a361f82931829d0267b9a6741fe60a [0,2,0,0,0,0|1,0,1]=4 414 B12R1.16 CCN[C@@H](C)c1ccc(cc1)C 0ed8e55d6183d258b51cdca6296060eb [0,2,0,0,0,0|1,0,1]=4 415 B12R1.16 CCN[C@@H](C)c1ccc(cc1)F 1cdeff47614cd0408e972403b21ec1f4 [0,2,0,0,0,0|1,0,1]=4 416 B12R1.16 CCN[C@@H](C)c1ccc(cc1)I d8251c0e8ba76150b133d569aa22ac48 [0,2,0,0,0,0|1,0,1]=4 417 B12R1.16 CCN[C@H](C)c1ccc(cc1)C 156165d95a1b59d54961645431890c7a [0,2,0,0,0,0|1,0,1]=4 418 B12R1.16 CCN[C@H](C)c1ccc(cc1)F ae87029077c5b327ded4690eccde6389 [0,2,0,0,0,0|1,0,1]=4 419 B12R1.16 CCN[C@H](C)c1ccc(cc1)I 2a878af2411beb0b90eb41ee2af406ec [0,2,0,0,0,0|1,0,1]=4 420 B12R1.16 C[C@@H](NCF)c1ccc(cc1)F 2c2720ca35eedaa74ba98bd126a7b434 [0,2,0,0,0,0|1,0,1]=4 421 B12R1.16 C[C@@H](NCF)c1ccc(cc1)I 63e69ab8ae3622f8a20bb2d4249ee750 [0,2,0,0,0,0|1,0,1]=4 422 B12R1.16 C[C@@H](NCO)c1ccc(cc1)Br c6b6a70a9b2dd44f9426c662be2d9c9c [0,2,0,0,0,0|1,0,1]=4 423 B12R1.16 C[C@@H](NCO)c1ccc(cc1)Cl 277abe0b1b70407116a774272f8f041f [0,2,0,0,0,0|1,0,1]=4 424 B12R1.16 C[C@@H](NCO)c1ccc(cc1)F 3ccc055b9e8bf808e9a760cdb1260a44 [0,2,0,0,0,0|1,0,1]=4 425 B12R1.16 C[C@@H](NCO)c1ccc(cc1)I 2ef404df7004faa0f0c6fdd986814320 [0,2,0,0,0,0|1,0,1]=4 426 B12R1.16 C[C@H](NCF)c1ccc(cc1)F 8349596821e8c5f0a9f3ecaa613ee363 [0,2,0,0,0,0|1,0,1]=4 427 B12R1.16 C[C@H](NCF)c1ccc(cc1)I d016577ede5e80390b1cac6bf8279b8b [0,2,0,0,0,0|1,0,1]=4 428 B12R1.16 C[C@H](NCO)c1ccc(cc1)Br c112b1ab773d0ee6c20418ed7c378e51 [0,2,0,0,0,0|1,0,1]=4 429 B12R1.16 C[C@H](NCO)c1ccc(cc1)Cl 8aca1f606b786514917b510d66c1fab5 [0,2,0,0,0,0|1,0,1]=4 430 B12R1.16 C[C@H](NCO)c1ccc(cc1)F 223505081048da9ae4e8d6a9b94d01a9 [0,2,0,0,0,0|1,0,1]=4 431 B12R1.16 C[C@H](NCO)c1ccc(cc1)I a08bb1bb1f3e3d6214e12b19fda00f9d [0,2,0,0,0,0|1,0,1]=4 432 B12R1.16 Cc1ccc(cc1)C(=O)NC#N db9c029ca258c4ca02cc9c2e6a5bd644 [0,2,0,0,0,0|0,0,1]=3 433 B12R1.16 Cc1ccc(cc1)C(C)NCF 1d5731703f4077c8ef67df98d3c94f4e [0,2,0,0,0,0|1,0,1]=4 434 B12R1.16 Cc1ccc(cc1)C(C)NCO 6e45f6689dbe224a21e83db0dd19e6de [0,2,0,0,0,0|1,0,1]=4 435 B12R1.16 Cc1ccc(cc1)[C@@H](C)NCF 0a0cd8cc9b79ef2fcf8f9739269f827c [0,2,0,0,0,0|1,0,1]=4 436 B12R1.16 Cc1ccc(cc1)[C@@H](C)NCO 6ad3623e107a53b7c7c6d36133d94314 [0,2,0,0,0,0|1,0,1]=4 437 B12R1.16 Cc1ccc(cc1)[C@H](C)NCF 2390ee34e9a21252d067df59327a8866 [0,2,0,0,0,0|1,0,1]=4 438 B12R1.16 Cc1ccc(cc1)[C@H](C)NCO 3620253068391a97254572594e674572 [0,2,0,0,0,0|1,0,1]=4 439 B12R1.16 Cc1ccc(cn1)C(=O)NC#N 884c99f34e37b89658bcda5afa0a59e2 [0,2,0,0,0,0|1,0,1]=4 440 B12R1.16 Cc1ccc(nc1)C(=O)NC#N c5438410347b37560a1ce4400731a760 [0,2,0,0,0,0|1,0,1]=4 441 B12R1.16 N#CNC(=O)c1cc[n+](cc1)[O-] 8824df1c25d2dbcbb80192e11a840b1f [0,2,0,0,0,0|1,0,1]=4 442 B12R1.16 N#CNC(=O)c1ccc(=O)oc1 97bf47fccea48051d0a9661cb7a0b264 [0,2,0,0,0,0|1,0,1]=4 443 B12R1.16 N#CNC(=O)c1ccc(cc1)Br a99b0fc0654d043ac7ce11f3747c4d29 [0,2,0,0,0,0|0,0,1]=3 444 B12R1.16 N#CNC(=O)c1ccc(cc1)Cl ba54d20ca571a54a3528edc3d2dd1d85 [0,2,0,0,0,0|0,0,1]=3 445 B12R1.16 N#CNC(=O)c1ccc(cc1)F 9c493ddeafce1b54e4e15966e3479758 [0,2,0,0,0,0|0,0,1]=3 446 B12R1.16 N#CNC(=O)c1ccc(cc1)I 321a9b79bb1811f58697ecdae7bb89cd [0,2,0,0,0,0|0,0,1]=3 447 B12R1.16 N#CNC(=O)c1ccc(cc1)O 772a9f4515185f04385bbd2d486c3994 [0,2,0,0,0,0|0,0,1]=3 448 B12R1.16 N#CNC(=O)c1ccc(cc1)S 954b2a211483b0165b3c135e0f2947a6 [0,2,0,0,0,0|0,0,1]=3 449 B12R1.16 N#CNC(=O)c1ccc(cn1)Br 959f1bb9d68a07eee0060efa1726ad19 [0,2,0,0,0,0|1,0,1]=4 450 B12R1.16 N#CNC(=O)c1ccc(cn1)Cl b5c83264c431a7eb523c00e259c5a849 [0,2,0,0,0,0|1,0,1]=4 451 B12R1.16 N#CNC(=O)c1ccc(cn1)F 24669eadfac05a42b8c1fda823e1be91 [0,2,0,0,0,0|1,0,1]=4 452 B12R1.16 N#CNC(=O)c1ccc(cn1)I 11a2294142ef1823b53bcf359a0dbb1a [0,2,0,0,0,0|1,0,1]=4 453 B12R1.16 N#CNC(=O)c1ccc(cn1)O 4603ef5900d5790dec9301de49d90d75 [0,2,0,0,0,0|1,0,1]=4 454 B12R1.16 N#CNC(=O)c1ccc(nc1)Cl 528fb3f464570c8533cfec2d02bb2cca [0,2,0,0,0,0|1,0,1]=4 455 B12R1.16 N#CNC(=O)c1ccc(nc1)F 294baa5e1685716ff2b9a350f7db5fdc [0,2,0,0,0,0|1,0,1]=4 456 B12R1.16 N#CNC(=O)c1ccc(nc1)I 068c2ce484154cb1205ee763ef94058d [0,2,0,0,0,0|1,0,1]=4 457 B12R1.16 N#CNC(=O)c1ccc(nc1)O 03a35c58574dd25339f2a66e88e1777c [0,2,0,0,0,0|1,0,1]=4 458 B12R1.16 N#CNC(=O)c1ccc(nc1)S 17fd6f30c0b87c5059b13682a25893e8 [0,2,0,0,0,0|1,0,1]=4 459 B12R1.17 CC(NCF)c1cccc(c1)Br a2bf6ac8599b4fdc533428a0a167007b [0,2,0,0,0,0|1,0,1]=4 460 B12R1.17 CC(NCF)c1cccc(c1)Cl 4c7f84cd6c39a51029b777465c7d6c95 [0,2,0,0,0,0|1,0,1]=4 461 B12R1.17 CC(NCF)c1cccc(c1)F 9494b4cbaacf534daa070aaa11205da8 [0,2,0,0,0,0|1,0,1]=4 462 B12R1.17 CC(NCO)c1cccc(c1)Br 922e64f914a2d632d7487974626feb20 [0,2,0,0,0,0|1,0,1]=4 463 B12R1.17 CC(NCO)c1cccc(c1)Cl 73fe839960baaaa01e59634dd685dbb1 [0,2,0,0,0,0|1,0,1]=4 464 B12R1.17 CC(NCO)c1cccc(c1)F f0652a3f82e27702014e62d0566a1de9 [0,2,0,0,0,0|1,0,1]=4 465 B12R1.17 CCNC(C)c1cccc(c1)Br e6c9fd584e7feb4e758a650f51e22ccc [0,2,0,0,0,0|1,0,1]=4 466 B12R1.17 CCNC(C)c1cccc(c1)C db8e6428335d8b366ee39d6e277943db [0,2,0,0,0,0|1,0,1]=4 467 B12R1.17 CCNC(C)c1cccc(c1)Cl 51c25d2dceca4ad868198756d2f3ea90 [0,2,0,0,0,0|1,0,1]=4 468 B12R1.17 CCNC(C)c1cccc(c1)F 6a89435cbf3436c2764f23c876d831b5 [0,2,0,0,0,0|1,0,1]=4 469 B12R1.17 CCN[C@@H](C)c1cccc(c1)Br 6882c062be643e6f1479c43382a1f97e [0,2,0,0,0,0|1,0,1]=4 470 B12R1.17 CCN[C@@H](C)c1cccc(c1)C ad1678c586d84563b274dd5bcfd4c65b [0,2,0,0,0,0|1,0,1]=4 471 B12R1.17 CCN[C@@H](C)c1cccc(c1)Cl 85c185ae290690f3266862442a2473d8 [0,2,0,0,0,0|1,0,1]=4 472 B12R1.17 CCN[C@@H](C)c1cccc(c1)F 0dedb0b66bba28f84038e5ae70474542 [0,2,0,0,0,0|1,0,1]=4 473 B12R1.17 CCN[C@@H](C)c1cccc(c1)I e0c90057fd046352ca9827408e1c3425 [0,2,0,0,0,0|1,0,1]=4 474 B12R1.17 CCN[C@H](C)c1cccc(c1)Br 5c6dbc44b6f3f8ec6a8c3fa96245bb1d [0,2,0,0,0,0|1,0,1]=4 475 B12R1.17 CCN[C@H](C)c1cccc(c1)C bb6f09b8be3dec841bef80f5325226bf [0,2,0,0,0,0|1,0,1]=4 476 B12R1.17 CCN[C@H](C)c1cccc(c1)Cl 07473dd26a362400745fd7b6b88adc2a [0,2,0,0,0,0|1,0,1]=4 477 B12R1.17 CCN[C@H](C)c1cccc(c1)F e235faf6f177090ebbe131406ad51bf5 [0,2,0,0,0,0|1,0,1]=4 478 B12R1.17 C[C@@H](NCF)c1cccc(c1)Br b6f8c9bd09110a695ab69e835a11528f [0,2,0,0,0,0|1,0,1]=4 479 B12R1.17 C[C@@H](NCF)c1cccc(c1)Cl 51273893323908f404d0771452cfa891 [0,2,0,0,0,0|1,0,1]=4 480 B12R1.17 C[C@@H](NCF)c1cccc(c1)F 8e7cfaa12936ce28fa901d54b1a42650 [0,2,0,0,0,0|1,0,1]=4 481 B12R1.17 C[C@@H](NCO)c1cccc(c1)Br f4e23e99bc0af39389f5e820105091c6 [0,2,0,0,0,0|1,0,1]=4 482 B12R1.17 C[C@@H](NCO)c1cccc(c1)Cl 66919fef6442a963feb11c547bf0f444 [0,2,0,0,0,0|1,0,1]=4 483 B12R1.17 C[C@@H](NCO)c1cccc(c1)F af0a186842d46dc3d160d1d73b074e17 [0,2,0,0,0,0|1,0,1]=4 484 B12R1.17 C[C@H](NCF)c1cccc(c1)Br db0a4e2e6a3386ecd680ff15bbff55b6 [0,2,0,0,0,0|1,0,1]=4 485 B12R1.17 C[C@H](NCF)c1cccc(c1)Cl 78a93a48938be6d811aa015374bd3a25 [0,2,0,0,0,0|1,0,1]=4 486 B12R1.17 C[C@H](NCF)c1cccc(c1)F cb191264be636045c991bc9d5d685235 [0,2,0,0,0,0|1,0,1]=4 487 B12R1.17 C[C@H](NCF)c1cccc(c1)I 963cc0fd84e434cdb5fe81b0537c5306 [0,2,0,0,0,0|1,0,1]=4 488 B12R1.17 C[C@H](NCO)c1cccc(c1)Br 7ca4ed875cb62977d0b3495961086da4 [0,2,0,0,0,0|1,0,1]=4 489 B12R1.17 C[C@H](NCO)c1cccc(c1)Cl 4a94abc52fcba40074ffa13791de35e2 [0,2,0,0,0,0|1,0,1]=4 490 B12R1.17 C[C@H](NCO)c1cccc(c1)F 26286d84a69bcd3442b2384f5cacf4e4 [0,2,0,0,0,0|1,0,1]=4 491 B12R1.17 C[C@H](NCO)c1cccc(c1)I 427d824bfdf0564f5453d07d6cb7fc73 [0,2,0,0,0,0|1,0,1]=4 492 B12R1.17 Cc1cc(ccn1)C(=O)NC#N 71c854458bce93903eb9c3a50c2dca72 [0,2,0,0,0,0|1,0,1]=4 493 B12R1.17 Cc1cccc(c1)C(=O)NC#N 8969e2d1b9e0875dd0263d8e02448ab3 [0,2,0,0,0,0|0,0,1]=3 494 B12R1.17 Cc1cccc(c1)C(C)NCF 7e3116c712611fefcdfd513800603318 [0,2,0,0,0,0|1,0,1]=4 495 B12R1.17 Cc1cccc(c1)C(C)NCO 484ffc2c296fe00c0d77539815bedf5c [0,2,0,0,0,0|1,0,1]=4 496 B12R1.17 Cc1cccc(c1)[C@@H](C)NCF c486091fb8f9b65be6016b6eb85006ad [0,2,0,0,0,0|1,0,1]=4 497 B12R1.17 Cc1cccc(c1)[C@@H](C)NCO 63ebfbb9109d04da9ae1a8c4632dbbee [0,2,0,0,0,0|1,0,1]=4 498 B12R1.17 Cc1cccc(c1)[C@H](C)NCF 0e7eb695a786eb23f0b219255d4a875f [0,2,0,0,0,0|1,0,1]=4 499 B12R1.17 Cc1cccc(c1)[C@H](C)NCO 815974376dfce3e8219bd556a1e15106 [0,2,0,0,0,0|1,0,1]=4 500 B12R1.17 Cc1cccc(n1)C(=O)NC#N 45d046ac25112e059b8006a1a9f32f7f [0,2,0,0,0,0|1,0,1]=4 501 B12R1.17 Cc1ccnc(c1)C(=O)NC#N d3c4422e811786866218f3eeb7d2b2bd [0,2,0,0,0,0|1,0,1]=4 502 B12R1.17 Cc1cncc(c1)C(=O)NC#N 4664d3f893add063456b838a1296b194 [0,2,0,0,0,0|1,0,1]=4 503 B12R1.17 N#CNC(=O)c1cc(=O)cco1 87e91d5d30fdc3394edcb9b445dbb02a [0,2,0,0,0,0|1,0,1]=4 504 B12R1.17 N#CNC(=O)c1cc(ccn1)Br 4510a4f13070d78b1251f387028e1bca [0,2,0,0,0,0|1,0,1]=4 505 B12R1.17 N#CNC(=O)c1cc(ccn1)Cl 0e1916ba161d21527d0e02da1d259092 [0,2,0,0,0,0|1,0,1]=4 506 B12R1.17 N#CNC(=O)c1cc(ccn1)F 2d3950f405a4f4ca71df4c5367c53d9c [0,2,0,0,0,0|1,0,1]=4 507 B12R1.17 N#CNC(=O)c1cc(ccn1)I 4b4e9312742879dc307d5db785787f0a [0,2,0,0,0,0|1,0,1]=4 508 B12R1.17 N#CNC(=O)c1cc(ccn1)O 89a4f8025312ff2918d92ad1ca010e13 [0,2,0,0,0,0|1,0,1]=4 509 B12R1.17 N#CNC(=O)c1ccc[n+](c1)[O-] 97cd3a09f1a8ec98469f80e0b0a60863 [0,2,0,0,0,0|1,0,1]=4 510 B12R1.17 N#CNC(=O)c1cccc(c1)Br 17a738b8d21e938bc893c81fe83f94aa [0,2,0,0,0,0|0,0,1]=3 511 B12R1.17 N#CNC(=O)c1cccc(c1)Cl 153a83fd06782dfd4efeb858fe6c964d [0,2,0,0,0,0|0,0,1]=3 512 B12R1.17 N#CNC(=O)c1cccc(c1)F a586fcc73b12342c700b3f2c8fa2834e [0,2,0,0,0,0|0,0,1]=3 513 B12R1.17 N#CNC(=O)c1cccc(c1)I 34b6b12465d7bd928f2df5ab61bc5e71 [0,2,0,0,0,0|0,0,1]=3 514 B12R1.17 N#CNC(=O)c1cccc(c1)O c1a129dfbf159ede7ce86d0a29a02b40 [0,2,0,0,0,0|0,0,1]=3 515 B12R1.17 N#CNC(=O)c1cccc(c1)S 63a2aef7be2f7e2604c45a9f333fa15e [0,2,0,0,0,0|0,0,1]=3 516 B12R1.17 N#CNC(=O)c1cccc(n1)Br c20907a056cb417dbc2f12b8804b44f2 [0,2,0,0,0,0|1,0,1]=4 517 B12R1.17 N#CNC(=O)c1cccc(n1)Cl 5a1f3151e448cd796a9e855d1cd6dc71 [0,2,0,0,0,0|1,0,1]=4 518 B12R1.17 N#CNC(=O)c1cccc(n1)F 9e939585f1bdcb18d4af8746a690a16c [0,2,0,0,0,0|1,0,1]=4 519 B12R1.17 N#CNC(=O)c1cccc(n1)I b1e78e33ab404b8d1f09d46d013217c2 [0,2,0,0,0,0|1,0,1]=4 520 B12R1.17 N#CNC(=O)c1cccc(n1)O 8394b69dfebba90ccc584d179276950c [0,2,0,0,0,0|1,0,1]=4 521 B12R1.17 N#CNC(=O)c1ccnc(c1)Br 302b89e5191f55b7687efa90f09aefcd [0,2,0,0,0,0|1,0,1]=4 522 B12R1.17 N#CNC(=O)c1ccnc(c1)Cl 8af3bd565497b61f42475423a058760d [0,2,0,0,0,0|1,0,1]=4 523 B12R1.17 N#CNC(=O)c1ccnc(c1)F 21c009f278742a2268796928325fa860 [0,2,0,0,0,0|1,0,1]=4 524 B12R1.17 N#CNC(=O)c1ccnc(c1)I 922e6873895bb5613652d18a95ca9edb [0,2,0,0,0,0|1,0,1]=4 525 B12R1.17 N#CNC(=O)c1ccnc(c1)O 47db7b7243af1b56f357ad5415c8c61e [0,2,0,0,0,0|1,0,1]=4 526 B12R1.17 N#CNC(=O)c1ccnc(c1)S 217dca36fb3b142d515c748b6c794d52 [0,2,0,0,0,0|1,0,1]=4 527 B12R1.17 N#CNC(=O)c1cncc(c1)F ddd7237102d6fcd46bf51799cf76addd [0,2,0,0,0,0|1,0,1]=4 528 B12R1.17 N#CNC(=O)c1cncc(c1)I 7c9ee920f6d32c89c69dd164a301ea00 [0,2,0,0,0,0|1,0,1]=4 529 B12R1.17 N#CNC(=O)c1cncc(c1)O 280c78c566138814576b64334a766b7e [0,2,0,0,0,0|1,0,1]=4 530 B12R1.30 C#CCNC(=O)c1ccccc1 5992adae17a1dd7824373a9ef813d750 [0,2,0,0,0,0|0,0,0]=2 531 B12R1.30 C#CCNC(=O)c1ccccn1 895a74ad177f2b87412256e12cfee40e [0,2,0,0,0,0|1,0,0]=3 532 B12R1.30 C#CCNC(=O)c1cccnc1 b0856152a0cf85e1384305e5916147c2 [0,2,0,0,0,0|1,0,0]=3 533 B12R1.30 C#CCNC(=O)c1cccnn1 cfe0d5f0adcf67b2ab38bf992a5ef173 [0,2,0,0,0,0|2,0,0]=4 534 B12R1.30 C#CCNC(=O)c1ccncc1 af13236ec0c731d95033c2b461e0cffe [0,2,0,0,0,0|1,0,0]=3 535 B12R1.30 C#CCNC(=O)c1ccncn1 99d92b6f21a015623abde212e61712cb [0,2,0,0,0,0|2,0,0]=4 536 B12R1.30 C#CCNC(=O)c1ccnnc1 9c9b468f5757562eb1b7e7ec90440f61 [0,2,0,0,0,0|2,0,0]=4 537 B12R1.30 C#CCNC(=O)c1cnccn1 dc659e49e295702983d9db57acaeb51a [0,2,0,0,0,0|2,0,0]=4 538 B12R1.30 C#CCNC(=O)c1cncnc1 5f9318c437d02c130708f551bdbd2014 [0,2,0,0,0,0|2,0,0]=4 539 B12R1.30 C#CCNC(=O)c1ncccn1 3752de576f56cfe277f36dbf5b9fb169 [0,2,0,0,0,0|2,0,0]=4 540 B12R1.30 C#CCNC(C)c1ccccc1 8ed5828c2e258c30367c2a46a0344f1e [0,2,0,0,0,0|1,0,1]=4 541 B12R1.30 C#CCN[C@@H](C)c1ccccc1 c2e57a43b39094fb9cc8c5d89eda2aec [0,2,0,0,0,0|1,0,1]=4 542 B12R1.30 C#CCN[C@H](C)c1ccccc1 0027d86dcd1350148f8559798567d252 [0,2,0,0,0,0|1,0,1]=4 543 B12R1.30 C=C(COCC)c1ccccc1 e1174170fb735530ed2c07509ad0f64f [0,2,0,0,0,0|2,0,0]=4 544 B12R1.30 C=C(COCF)c1ccccc1 7f9b3146156f36d50e79417005ca927c [0,2,0,0,0,0|2,0,0]=4 545 B12R1.30 C=CCNC(C)c1ccccc1 fa2a8c61f42c61d4674c5e223d49122c [0,2,0,0,0,0|1,0,1]=4 546 B12R1.30 C=CCN[C@@H](C)c1ccccc1 600f83b5cdc08e60e339b69a1a0c1bbe [0,2,0,0,0,0|1,0,1]=4 547 B12R1.30 C=CCN[C@H](C)c1ccccc1 d607bf8a84d857931725e26673643b18 [0,2,0,0,0,0|1,0,1]=4 548 B12R1.30 CC(CNCF)c1ccccc1 5f1d9fd84074424c65197fad8c2e5513 [0,2,0,0,0,0|1,0,1]=4 549 B12R1.30 CC(CNCO)c1ccccc1 462ae9832b5de19cce882c0427ce8c7b [0,2,0,0,0,0|1,0,1]=4 550 B12R1.30 CC(NCC#N)c1ccccc1 85ca8869c6ae0debccfd66d74dfbe1ee [0,2,0,0,0,0|1,0,1]=4 551 B12R1.30 CC(NCC=O)c1ccccc1 d9b90894b15660347d656ab520d55286 [0,2,0,0,0,0|1,0,1]=4 552 B12R1.30 CC(NCCF)c1ccccc1 a4890edd7f21677f225a27bfc036a9e4 [0,2,0,0,0,0|1,0,1]=4 553 B12R1.30 CC(NCCO)c1ccccc1 15ebe2893003a0c55ecacb3da2e2c5b8 [0,2,0,0,0,0|1,0,1]=4 554 B12R1.30 CC(NCCS)c1ccccc1 c90c5f78811b5a3e744fa24aabe1d478 [0,2,0,0,0,0|1,0,1]=4 555 B12R1.30 CCCNC(=O)c1ccccc1 17d55bfe3f14492436164da3d0c80e57 [0,2,0,0,0,0|0,0,0]=2 556 B12R1.30 CCCNC(=O)c1ccccn1 aec690230b3cc4437d966e9bbbea0961 [0,2,0,0,0,0|1,0,0]=3 557 B12R1.30 CCCNC(=O)c1cccnc1 3307a345d1b42f2c6d215fbac04a28f4 [0,2,0,0,0,0|1,0,0]=3 558 B12R1.30 CCCNC(=O)c1cccnn1 d79db48c2c6d122ffd7c966384637b17 [0,2,0,0,0,0|2,0,0]=4 559 B12R1.30 CCCNC(=O)c1ccncc1 b693f502598d6ba38fb153a0cebb0267 [0,2,0,0,0,0|1,0,0]=3 560 B12R1.30 CCCNC(=O)c1ccncn1 5af7bda680935b060506356f810ba6a3 [0,2,0,0,0,0|2,0,0]=4 561 B12R1.30 CCCNC(=O)c1ccnnc1 ae6705bfa45000d52e03ba70c4a47920 [0,2,0,0,0,0|2,0,0]=4 562 B12R1.30 CCCNC(=O)c1cnccn1 4f0c6ad8dfe097ecbbeb03521862c352 [0,2,0,0,0,0|2,0,0]=4 563 B12R1.30 CCCNC(=O)c1cncnc1 76fc5357da0c2a4f4c5ccffda41f833d [0,2,0,0,0,0|2,0,0]=4 564 B12R1.30 CCCNC(=O)c1ncccn1 021169bd43c989c25245cf4b32ed4963 [0,2,0,0,0,0|2,0,0]=4 565 B12R1.30 CCCNC(C)c1ccccc1 37d48536a03c5d64ae70e596dd73ed85 [0,2,0,0,0,0|1,0,1]=4 566 B12R1.30 CCCN[C@@H](C)c1ccccc1 604408ade040f4a9c55069b166a57921 [0,2,0,0,0,0|1,0,1]=4 567 B12R1.30 CCCN[C@H](C)c1ccccc1 b93dc36e1ac43b4dfb18fc821dba383a [0,2,0,0,0,0|1,0,1]=4 568 B12R1.30 CCNCC(=O)c1ccccc1 120782ba76f814e86bdef32896186f08 [0,2,0,0,0,0|0,0,0]=2 569 B12R1.30 CCNCC(C)c1ccccc1 9cbf919020878038d0809e43f1be15bb [0,2,0,0,0,0|1,0,1]=4 570 B12R1.30 CCNCC(O)c1ccccc1 2c7684bc90e6b6f2eb9cc788b34e49e9 [0,2,0,0,0,0|0,0,2]=4 571 B12R1.30 CCNC[C@@H](C)c1ccccc1 6865a599cc7f5b285bd8c007b28c9b34 [0,2,0,0,0,0|1,0,1]=4 572 B12R1.30 CCNC[C@@H](O)c1ccccc1 1fa8d71540df38b9b8cbd54368ff1949 [0,2,0,0,0,0|0,0,2]=4 573 B12R1.30 CCNC[C@H](C)c1ccccc1 ff4ae3e1c0acb37fe8ab1f33c54ee87a [0,2,0,0,0,0|1,0,1]=4 574 B12R1.30 CCNC[C@H](O)c1ccccc1 a3ad7a2afde7d6051248f34aaf7ade1e [0,2,0,0,0,0|0,0,2]=4 575 B12R1.30 CCOCC(=O)c1ccccc1 d10a1656db1ce15c4b0e7531fc2ce741 [0,2,0,0,0,0|1,0,0]=3 576 B12R1.30 CCOCC(=O)c1ccccn1 dca3a90de36d6da1383fefa302a94393 [0,2,0,0,0,0|2,0,0]=4 577 B12R1.30 CCOCC(=O)c1cccnc1 aef6d38b572782e69bfe5e03089f6e74 [0,2,0,0,0,0|2,0,0]=4 578 B12R1.30 COCNC(C)c1ccccc1 da3a97833b329d52bf380d21525de137 [0,2,0,0,0,0|1,0,1]=4 579 B12R1.30 COCN[C@@H](C)c1ccccc1 b0afc671726e2aa3bbf25811f588d87b [0,2,0,0,0,0|1,0,1]=4 580 B12R1.30 COCN[C@H](C)c1ccccc1 9e08f5d5391d04ef9dca8846d7c418b1 [0,2,0,0,0,0|1,0,1]=4 581 B12R1.30 CSCNC(C)c1ccccc1 6f92386efe5ddba474bf8f6e5b5463ff [0,2,0,0,0,0|1,0,1]=4 582 B12R1.30 CSCN[C@@H](C)c1ccccc1 845e66030d932d6618c275454e4a088a [0,2,0,0,0,0|1,0,1]=4 583 B12R1.30 CSCN[C@H](C)c1ccccc1 30f91454a02398d41f15145ae4807b21 [0,2,0,0,0,0|1,0,1]=4 584 B12R1.30 C[C@@H](CNCF)c1ccccc1 796d7cc72a99b25de3cd91eec937f176 [0,2,0,0,0,0|1,0,1]=4 585 B12R1.30 C[C@@H](CNCO)c1ccccc1 742ee8e739f2ff7dbfa020bf6612568d [0,2,0,0,0,0|1,0,1]=4 586 B12R1.30 C[C@@H](NCC#N)c1ccccc1 79a0e920b4d897eb15d12e8b6b71cbe9 [0,2,0,0,0,0|1,0,1]=4 587 B12R1.30 C[C@@H](NCC=O)c1ccccc1 de3c0d8a847d9265ee59861806469e38 [0,2,0,0,0,0|1,0,1]=4 588 B12R1.30 C[C@@H](NCCF)c1ccccc1 6855a77d5eca1f1b4bab257a19ad71b3 [0,2,0,0,0,0|1,0,1]=4 589 B12R1.30 C[C@@H](NCCO)c1ccccc1 4d75c0848045c856d6629664b5c37bb2 [0,2,0,0,0,0|1,0,1]=4 590 B12R1.30 C[C@@H](NCCS)c1ccccc1 f68ec1897d41d2f78889d11e1a576659 [0,2,0,0,0,0|1,0,1]=4 591 B12R1.30 C[C@H](CNCF)c1ccccc1 b55b7c71b6efb4d2ef804c8c8ecd1876 [0,2,0,0,0,0|1,0,1]=4 592 B12R1.30 C[C@H](CNCO)c1ccccc1 348e8a14ee3f664d50cb7fb06a3ca693 [0,2,0,0,0,0|1,0,1]=4 593 B12R1.30 C[C@H](NCC#N)c1ccccc1 04ab453e311f4e57bddb16b9d73b093d [0,2,0,0,0,0|1,0,1]=4 594 B12R1.30 C[C@H](NCC=O)c1ccccc1 a3dc214a4fba86b355b0ede6b011be4e [0,2,0,0,0,0|1,0,1]=4 595 B12R1.30 C[C@H](NCCF)c1ccccc1 da1d01952688d248cad72e73d81548b6 [0,2,0,0,0,0|1,0,1]=4 596 B12R1.30 C[C@H](NCCO)c1ccccc1 1afbfcd53073af538ea2805bff509aa6 [0,2,0,0,0,0|1,0,1]=4 597 B12R1.30 C[C@H](NCCS)c1ccccc1 8f0e850ed93fd86c5c98f711b3615cfc [0,2,0,0,0,0|1,0,1]=4 598 B12R1.30 N#CCNC(=O)c1ccccc1 fc4b219e64be81c56d6d3aeb9506ed05 [0,2,0,0,0,0|0,0,0]=2 599 B12R1.30 N#CCNC(=O)c1ccccn1 365fd3ab3298578e87d4323c47013065 [0,2,0,0,0,0|1,0,0]=3 600 B12R1.30 N#CCNC(=O)c1cccnc1 a2a845f46f3f162cf3a70e4d09d00e96 [0,2,0,0,0,0|1,0,0]=3 601 B12R1.30 N#CCNC(=O)c1cccnn1 3b6fae3229c77ea5fb574fa521cb9e5f [0,2,0,0,0,0|2,0,0]=4 602 B12R1.30 N#CCNC(=O)c1ccncc1 749db0e3719d9e8ef1b563733b487f2d [0,2,0,0,0,0|1,0,0]=3 603 B12R1.30 N#CCNC(=O)c1ccncn1 ce8bd53c70f225c565a4c099a271ac60 [0,2,0,0,0,0|2,0,0]=4 604 B12R1.30 N#CCNC(=O)c1ccnnc1 4eb3a862bd92172543dcde545da20449 [0,2,0,0,0,0|2,0,0]=4 605 B12R1.30 N#CCNC(=O)c1cnccn1 4d14fd93f6597f1fbe1e13d5d9811fe9 [0,2,0,0,0,0|2,0,0]=4 606 B12R1.30 N#CCNC(=O)c1cncnc1 34e752ceb7454a7317e845c8157b71b1 [0,2,0,0,0,0|2,0,0]=4 607 B12R1.30 N#CCNC(=O)c1ncccn1 4b2b059f6e163d95fef161b91c64845a [0,2,0,0,0,0|2,0,0]=4 608 B12R1.30 N#CNCC(=O)c1ccccc1 90502f681dd2d0607b0bf27a7287c010 [0,2,0,0,0,0|0,0,1]=3 609 B12R1.30 N#CNCC(=O)c1ccccn1 67789676dc7fc36d2d1ecc1c53280c05 [0,2,0,0,0,0|1,0,1]=4 610 B12R1.30 N#CNCC(=O)c1cccnc1 c7888b02e46d3d4a1f1b7a4afedec4d0 [0,2,0,0,0,0|1,0,1]=4 611 B12R1.30 O=C(CNCF)c1ccccc1 b008ddf68ca6c6ff7ea37d0a87275ccd [0,2,0,0,0,0|0,0,0]=2 612 B12R1.30 O=C(CNCO)c1ccccc1 1f6ea0716cbea011ade59a66de8cfc95 [0,2,0,0,0,0|0,0,0]=2 613 B12R1.30 O=C(COCF)c1ccccc1 1a03c575b01170f76330974774069cf7 [0,2,0,0,0,0|1,0,0]=3 614 B12R1.30 O=C(COCF)c1ccccn1 d721e2a9100a69c5669bc1ea4a691a11 [0,2,0,0,0,0|2,0,0]=4 615 B12R1.30 O=C(COCF)c1cccnc1 9a8e93ae6bef36d6135782ae10319c45 [0,2,0,0,0,0|2,0,0]=4 616 B12R1.30 O=C(NCCBr)c1ccccc1 7c87b4242707692635884c6b6fcd4df1 [0,2,0,0,0,0|0,0,0]=2 617 B12R1.30 O=C(NCCBr)c1cccnc1 aa6bec5a14f064ed8104ac011e985f93 [0,2,0,0,0,0|1,0,0]=3 618 B12R1.30 O=C(NCCBr)c1ccncc1 45fdcd7147f155e6d1c4ae20d0fcf2c5 [0,2,0,0,0,0|1,0,0]=3 619 B12R1.30 O=C(NCCBr)c1ccncn1 1b9abfd90ff3e25c016d308039fb490f [0,2,0,0,0,0|2,0,0]=4 620 B12R1.30 O=C(NCCBr)c1ccnnc1 e597003da8131a10e39fa1b3052416ee [0,2,0,0,0,0|2,0,0]=4 621 B12R1.30 O=C(NCCBr)c1cnccn1 dc1c0ed730ff73184b0071295546980e [0,2,0,0,0,0|2,0,0]=4 622 B12R1.30 O=C(NCCBr)c1cncnc1 abb058cabf9c1115afd09fec97b657b9 [0,2,0,0,0,0|2,0,0]=4 623 B12R1.30 O=C(NCCBr)c1ncccn1 77582b9e2a8d4a28ad04965b58b9b7b0 [0,2,0,0,0,0|2,0,0]=4 624 B12R1.30 O=C(NCCF)c1ccccc1 e638ffad58379d89848ae9345da1475d [0,2,0,0,0,0|0,0,0]=2 625 B12R1.30 O=C(NCCF)c1ccccn1 4a97f3ab618176ebd6ac2df3dad3b4cc [0,2,0,0,0,0|1,0,0]=3 626 B12R1.30 O=C(NCCF)c1cccnc1 9e8dfc1ff3c253e05735643d47a5382b [0,2,0,0,0,0|1,0,0]=3 627 B12R1.30 O=C(NCCF)c1cccnn1 7fb048d0bc77489d7ba47fdfd1f52d0c [0,2,0,0,0,0|2,0,0]=4 628 B12R1.30 O=C(NCCF)c1ccncc1 fbe99a915ead568fcaa295143ee2ec0a [0,2,0,0,0,0|1,0,0]=3 629 B12R1.30 O=C(NCCF)c1ccncn1 6dcec3a06380a8037b0019e5be1b7c36 [0,2,0,0,0,0|2,0,0]=4 630 B12R1.30 O=C(NCCF)c1ccnnc1 6436b2193c4ea99eef0cf58ae2344731 [0,2,0,0,0,0|2,0,0]=4 631 B12R1.30 O=C(NCCF)c1cnccn1 3f5ca43d495ce3de27a1429bcf06a016 [0,2,0,0,0,0|2,0,0]=4 632 B12R1.30 O=C(NCCF)c1cncnc1 1fad33e55313a17ca46e6fa402ec4d02 [0,2,0,0,0,0|2,0,0]=4 633 B12R1.30 O=C(NCCF)c1ncccn1 232b0eb2b3211aab0bc8d7e9762bbb54 [0,2,0,0,0,0|2,0,0]=4 634 B12R1.30 O=C(NCCI)c1ccccc1 f9da4089887204671775e3bd8a7c2cbe [0,2,0,0,0,0|0,0,0]=2 635 B12R1.30 O=C(NCCI)c1ccccn1 ac35a1f6684de8e8342f6b05eca2693e [0,2,0,0,0,0|1,0,0]=3 636 B12R1.30 O=C(NCCI)c1cccnc1 08710fab037c1782967a4b685b3a30f8 [0,2,0,0,0,0|1,0,0]=3 637 B12R1.30 O=C(NCCI)c1cccnn1 4105c854daf15cd5027ddd6f2d49e9fb [0,2,0,0,0,0|2,0,0]=4 638 B12R1.30 O=C(NCCI)c1ccncc1 6bd59a58e07204c91bdb4e1795f132a9 [0,2,0,0,0,0|1,0,0]=3 639 B12R1.30 O=C(NCCI)c1ccncn1 574af761f58400fee44b06f35ef3309c [0,2,0,0,0,0|2,0,0]=4 640 B12R1.30 O=C(NCCI)c1ccnnc1 e45a5da0267776a1f75ef318c11f5434 [0,2,0,0,0,0|2,0,0]=4 641 B12R1.30 O=C(NCCI)c1cnccn1 a898438d00857aa21003ec5794c5e020 [0,2,0,0,0,0|2,0,0]=4 642 B12R1.30 O=C(NCCI)c1cncnc1 36abe72a217cd7277c6dad840d0d6431 [0,2,0,0,0,0|2,0,0]=4 643 B12R1.30 O=C(NCCI)c1ncccn1 938d40f63f2d881680e7e09e84d87ceb [0,2,0,0,0,0|2,0,0]=4 644 B12R1.30 O=C(NCCO)c1ccccc1 d034a5a3334662fbb2c17b7d9b92b751 [0,2,0,0,0,0|0,0,0]=2 645 B12R1.30 O=C(NCCO)c1ccccn1 a2021453263d08de31cb9c035df6984e [0,2,0,0,0,0|1,0,0]=3 646 B12R1.30 O=C(NCCO)c1cccnc1 963df7532c713daef1e9a51aa93e2bdc [0,2,0,0,0,0|1,0,0]=3 647 B12R1.30 O=C(NCCO)c1cccnn1 473ab53b8b65e7e49910df6118664e38 [0,2,0,0,0,0|2,0,0]=4 648 B12R1.30 O=C(NCCO)c1ccncc1 b9544645504fe39897f7e585f5d653d0 [0,2,0,0,0,0|1,0,0]=3 649 B12R1.30 O=C(NCCO)c1ccncn1 d28dccaf32e94ba6fbdc23052afcaca2 [0,2,0,0,0,0|2,0,0]=4 650 B12R1.30 O=C(NCCO)c1ccnnc1 f638618cb26b467de1e258aec7f3e9bd [0,2,0,0,0,0|2,0,0]=4 651 B12R1.30 O=C(NCCO)c1cnccn1 a11b4b760d463a45cf9827c6d1603f32 [0,2,0,0,0,0|2,0,0]=4 652 B12R1.30 O=C(NCCO)c1cncnc1 90ac02ea9f64988e99a0d2fe29c99dfa [0,2,0,0,0,0|2,0,0]=4 653 B12R1.30 O=C(NCCO)c1ncccn1 f361f4489583b245a895378e72d4b0a8 [0,2,0,0,0,0|2,0,0]=4 654 B12R1.30 O=C(NCCS)c1ccccc1 0eed267da0c4369b9172240aa5aa6bce [0,2,0,0,0,0|0,0,0]=2 655 B12R1.30 O=C(NCCS)c1ccccn1 8988f54408f8c875b5e29488d2a313be [0,2,0,0,0,0|1,0,0]=3 656 B12R1.30 O=C(NCCS)c1cccnc1 ec7c915ff51c0bb22668b31efc7b81c3 [0,2,0,0,0,0|1,0,0]=3 657 B12R1.30 O=C(NCCS)c1cccnn1 7dbf9f1d7340e3f1ffbfa7b147130608 [0,2,0,0,0,0|2,0,0]=4 658 B12R1.30 O=C(NCCS)c1ccncc1 d3a8346725379b5dc5719ca16669667b [0,2,0,0,0,0|1,0,0]=3 659 B12R1.30 O=C(NCCS)c1ccncn1 29b5b18821534c6ea1a43d4cb7c90966 [0,2,0,0,0,0|2,0,0]=4 660 B12R1.30 O=C(NCCS)c1ccnnc1 10a6b2011179b8b0da62ab8cd84df16c [0,2,0,0,0,0|2,0,0]=4 661 B12R1.30 O=C(NCCS)c1cnccn1 e7b3250631895a78a247501f23f34df7 [0,2,0,0,0,0|2,0,0]=4 662 B12R1.30 O=C(NCCS)c1cncnc1 633dd3954bbada0bacfc6bcb1ac81340 [0,2,0,0,0,0|2,0,0]=4 663 B12R1.30 O=C(NCCS)c1ncccn1 d69e0cf0a2d363c0661112a6662e4ab0 [0,2,0,0,0,0|2,0,0]=4 664 B12R1.30 O=CNCC(=O)c1ccccc1 3d692fdbbd985de7bb8ce4ed3be15af5 [0,2,0,0,0,0|0,0,1]=3 665 B12R1.30 OC(CNCF)c1ccccc1 dadff12dfa7b072497d1230db84a7ab0 [0,2,0,0,0,0|0,0,2]=4 666 B12R1.30 OCNCC(O)c1ccccc1 a1873e0f542e845030155bc61f7ab033 [0,2,0,0,0,0|0,0,2]=4 667 B12R1.30 OCNC[C@@H](O)c1ccccc1 6b625a35862ee45205a70adf222a9a23 [0,2,0,0,0,0|0,0,2]=4 668 B12R1.30 OCNC[C@H](O)c1ccccc1 a19c64470da13d711a93a5da873610b8 [0,2,0,0,0,0|0,0,2]=4 669 B12R1.30 O[C@@H](CNCF)c1ccccc1 17594babf953eee0d2b4c962daa025ce [0,2,0,0,0,0|0,0,2]=4 670 B12R1.30 O[C@H](CNCF)c1ccccc1 1fae90a4e809b4254f08900139a841ce [0,2,0,0,0,0|0,0,2]=4 671 B12R1.107 CC(=O)NC(C)c1ccccc1 5ac270090224b04d6e18bd0f40247bab [0,2,0,0,0,0|1,0,1]=4 672 B12R1.107 CC(=O)N[C@@H](C)c1ccccc1 83a412c49d00ac7737895652e0438906 [0,2,0,0,0,0|1,0,1]=4 673 B12R1.107 CC(=O)N[C@H](C)c1ccccc1 6af9f7af8ede42291806b12f353a29c9 [0,2,0,0,0,0|1,0,1]=4 674 B12R1.308 CC(NCF)c1ccccc1Cl 9e9fe0e13e013eac062b2d8b7a7dd641 [0,2,0,0,0,0|1,0,1]=4 675 B12R1.308 CC(NCF)c1ccccc1F bc7168c780dd1f426d40f4f1ad262276 [0,2,0,0,0,0|1,0,1]=4 676 B12R1.308 CC(NCO)c1ccccc1Cl 1f0c401b4ac09588d0873e8556a15d9b [0,2,0,0,0,0|1,0,1]=4 677 B12R1.308 CC(NCO)c1ccccc1F f8af624e28cef3667af96d9d540bf774 [0,2,0,0,0,0|1,0,1]=4 678 B12R1.308 CC(NCO)c1ccccc1I 38352b05097a6498f9c6f5e041497e5f [0,2,0,0,0,0|1,0,1]=4 679 B12R1.308 CCNC(C)c1ccccc1C 0883f4cb3ceebac2afc1d8b1d74757fe [0,2,0,0,0,0|1,0,1]=4 680 B12R1.308 CCNC(C)c1ccccc1Cl e4c014f93d31b2cbe46d458b32f53e09 [0,2,0,0,0,0|1,0,1]=4 681 B12R1.308 CCNC(C)c1ccccc1F f7d95a3361fedbbb65f99a2acb41e413 [0,2,0,0,0,0|1,0,1]=4 682 B12R1.308 CCNC(C)c1ccccc1I 644333e054a6c1bf2e43ef800eb6ccf0 [0,2,0,0,0,0|1,0,1]=4 683 B12R1.308 CCN[C@@H](C)c1ccccc1C 8d3fac06d9fd721c033cdce6debd1b11 [0,2,0,0,0,0|1,0,1]=4 684 B12R1.308 CCN[C@@H](C)c1ccccc1Cl 099142b233a887b54f0becdabd5e841f [0,2,0,0,0,0|1,0,1]=4 685 B12R1.308 CCN[C@@H](C)c1ccccc1F d09734bb90b2604a0ef3d53cf89c9061 [0,2,0,0,0,0|1,0,1]=4 686 B12R1.308 CCN[C@H](C)c1ccccc1C 932b5a6a4e53b1370f118a04ec8aea7a [0,2,0,0,0,0|1,0,1]=4 687 B12R1.308 CCN[C@H](C)c1ccccc1Cl 638f0775df6296d8f14ee24c8a8e2394 [0,2,0,0,0,0|1,0,1]=4 688 B12R1.308 CCN[C@H](C)c1ccccc1F 769010e7a9b6e656b36dc7b095841e4f [0,2,0,0,0,0|1,0,1]=4 689 B12R1.308 C[C@@H](NCF)c1ccccc1Cl 51642ddac9d75373cd8664448de5d444 [0,2,0,0,0,0|1,0,1]=4 690 B12R1.308 C[C@@H](NCF)c1ccccc1F b81aeb75f26e45e22f353f1bd6575e41 [0,2,0,0,0,0|1,0,1]=4 691 B12R1.308 C[C@@H](NCO)c1ccccc1Cl 68a5f9299e56d3cba8de039d6c35a0ca [0,2,0,0,0,0|1,0,1]=4 692 B12R1.308 C[C@@H](NCO)c1ccccc1F b0e26e577d860ef89a5b9152b45e88a6 [0,2,0,0,0,0|1,0,1]=4 693 B12R1.308 C[C@H](NCF)c1ccccc1Cl 094e58320907c1b0aa41fb5b0fe49532 [0,2,0,0,0,0|1,0,1]=4 694 B12R1.308 C[C@H](NCF)c1ccccc1F 46b0c636a8e762dba88dbd01f126e091 [0,2,0,0,0,0|1,0,1]=4 695 B12R1.308 C[C@H](NCO)c1ccccc1Cl 6721150152565c45045c8d7226931c07 [0,2,0,0,0,0|1,0,1]=4 696 B12R1.308 C[C@H](NCO)c1ccccc1F 843364a70a090624fe16305422e066fd [0,2,0,0,0,0|1,0,1]=4 697 B12R1.308 Cc1ccccc1C(=O)NC#N d82f8f123f26de62ce6a2dc001aed439 [0,2,0,0,0,0|0,0,1]=3 698 B12R1.308 Cc1ccccc1C(C)NCF 712d68dc5be0f64eecf9aa66b715e0c2 [0,2,0,0,0,0|1,0,1]=4 699 B12R1.308 Cc1ccccc1C(C)NCO 6c3894b72e4dae93ee5dc306d60ad36c [0,2,0,0,0,0|1,0,1]=4 700 B12R1.308 Cc1ccccc1[C@@H](C)NCF 6cf924335d2b2f2d251ce6315911000f [0,2,0,0,0,0|1,0,1]=4 701 B12R1.308 Cc1ccccc1[C@@H](C)NCO b8dd4b9d69a2c456fde4fd3e7fd35a7b [0,2,0,0,0,0|1,0,1]=4 702 B12R1.308 Cc1ccccc1[C@H](C)NCF f232a12683e4a16bb4cd1a09dc433efa [0,2,0,0,0,0|1,0,1]=4 703 B12R1.308 Cc1ccccc1[C@H](C)NCO 7e8be47cb87e472d5897ef53423fefc4 [0,2,0,0,0,0|1,0,1]=4 704 B12R1.308 Cc1cccnc1C(=O)NC#N 9f4f70cecd4978015188dca72e772447 [0,2,0,0,0,0|1,0,1]=4 705 B12R1.308 Cc1ccncc1C(=O)NC#N 9a131b3b0de2d1a7e11346ae92811b51 [0,2,0,0,0,0|1,0,1]=4 706 B12R1.308 Cc1cnccc1C(=O)NC#N e161737ae50fec2fc1efdb8cf6307980 [0,2,0,0,0,0|1,0,1]=4 707 B12R1.308 Cc1ncccc1C(=O)NC#N 074ac6bd94c9ea782d2ec0e46eb4fce5 [0,2,0,0,0,0|1,0,1]=4 708 B12R1.308 N#CNC(=O)c1cccc[n+]1[O-] 127bdcb7da20d76f51d7335599d6139d [0,2,0,0,0,0|1,0,1]=4 709 B12R1.308 N#CNC(=O)c1ccccc1Cl f5a3d8c86f28135d6f1d27175c4d9829 [0,2,0,0,0,0|0,0,1]=3 710 B12R1.308 N#CNC(=O)c1ccccc1F 897120182787f836051432e47ef28996 [0,2,0,0,0,0|0,0,1]=3 711 B12R1.308 N#CNC(=O)c1ccccc1I d5dae0379cfbead41c7efe728cb1f4ee [0,2,0,0,0,0|0,0,1]=3 712 B12R1.308 N#CNC(=O)c1ccccc1S fe76b6c19cdab6b64f7df35fceadd24e [0,2,0,0,0,0|0,0,1]=3 713 B12R1.308 N#CNC(=O)c1cccnc1Br 9a65c86072da21cfc4f6fbc64e6bf740 [0,2,0,0,0,0|1,0,1]=4 714 B12R1.308 N#CNC(=O)c1cccnc1Cl adc3fca5caba0c558f8144f150e423a8 [0,2,0,0,0,0|1,0,1]=4 715 B12R1.308 N#CNC(=O)c1cccnc1F 5c5822d8c7e53379673b2587f7d81be8 [0,2,0,0,0,0|1,0,1]=4 716 B12R1.308 N#CNC(=O)c1cccnc1I 1632a15b9c84576ffdfcc7bec8e21092 [0,2,0,0,0,0|1,0,1]=4 717 B12R1.308 N#CNC(=O)c1cccnc1O 4afce5589cd5da14eeb7f21d3ca717aa [0,2,0,0,0,0|1,0,1]=4 718 B12R1.308 N#CNC(=O)c1cccnc1S e409e085b7cd0ef060c78332e0491bc8 [0,2,0,0,0,0|1,0,1]=4 719 B12R1.308 N#CNC(=O)c1ccncc1Br 244be22351f327a4b6335e94862fb3cb [0,2,0,0,0,0|1,0,1]=4 720 B12R1.308 N#CNC(=O)c1ccncc1Cl 5fcdb58153ce1ee769109df3f8772fbd [0,2,0,0,0,0|1,0,1]=4 721 B12R1.308 N#CNC(=O)c1ccncc1F 9b96a54db61ccfc869060f7bf77f56dd [0,2,0,0,0,0|1,0,1]=4 722 B12R1.308 N#CNC(=O)c1ccncc1I 4ecfa3dadf6c8518a735296ae4fe6def [0,2,0,0,0,0|1,0,1]=4 723 B12R1.308 N#CNC(=O)c1cnccc1Br 841c62585f60e0a9e62dc972c9fd6c4c [0,2,0,0,0,0|1,0,1]=4 724 B12R1.308 N#CNC(=O)c1cnccc1Cl eb772955bcbd3da4971e012e459e126e [0,2,0,0,0,0|1,0,1]=4 725 B12R1.308 N#CNC(=O)c1cnccc1F 3b904d62651386cd527de88b6bec182a [0,2,0,0,0,0|1,0,1]=4 726 B12R1.308 N#CNC(=O)c1cnccc1O 67c5d0eebbb218e3c934e1ec0ef925c9 [0,2,0,0,0,0|1,0,1]=4 727 B12R1.308 N#CNC(=O)c1ncccc1Br 2922e98bb42442be04eb7e888e5f65d4 [0,2,0,0,0,0|1,0,1]=4 728 B12R1.308 N#CNC(=O)c1ncccc1Cl 3ef272260562c0785dfbf55f77a7cdd5 [0,2,0,0,0,0|1,0,1]=4 729 B12R1.308 N#CNC(=O)c1ncccc1F 77109bcbb42b1659605a200f7766e890 [0,2,0,0,0,0|1,0,1]=4 730 B12R1.308 N#CNC(=O)c1ncccc1I a2e2421d3b505a2efb05782527efaac6 [0,2,0,0,0,0|1,0,1]=4 731 B12R1.308 N#CNC(=O)c1ncccc1O 9354a610bcc4561a28ecbc4c49a0b54d [0,2,0,0,0,0|1,0,1]=4 732 B10R1.16 C=CCOC1=CC(=O)NC1 64d930f02448790a5ec7831cff630373 [0,0,1,1,0,0|1,0,1]=4 733 B12R2.1 O=CN1CCc2c1cccc2 952fb58dcbced8913394c41c3e29378e [0,1,0,1,0,0|2,0,0]=4 734 B12R2.2 c1ccc(cc1)c2c[nH]cn2 c4f52ead17ff341ae089332bd3fd6d99 [0,1,0,1,0,0|1,0,1]=4 735 B12R2.2 c1ccc(cc1)c2c[nH]nn2 a1fb77adff563490f1ed05e60137a346 [0,1,0,1,0,0|2,0,0]=4 736 B12R2.2 c1ccc(cc1)c2cc[nH]c2 8a1082d55b05930cd516c569b34285bf [0,1,0,1,0,0|1,0,1]=4 737 B12R2.2 c1ccc(cc1)c2cc[nH]n2 72e992508b1d4f2e5b527c318ff4b66c [0,1,0,1,0,0|1,0,1]=4 738 B12R2.2 c1ccc(cc1)c2ccc[nH]2 31571cc0c476cc0ec85253928e85f3d5 [0,1,0,1,0,0|1,0,1]=4 739 B12R2.2 c1ccc(cc1)c2cn[nH]c2 be4a681aed3d612250a8a908fe0c61a6 [0,1,0,1,0,0|2,0,0]=4 740 B12R2.2 c1ccc(cc1)c2nc[nH]n2 694bb5f9185de1f1ed783d4482d6eadc [0,1,0,1,0,0|1,0,1]=4 741 B12R2.2 c1ccc(cc1)c2ncc[nH]2 82a923d5bbc3c477b145edda9503235f [0,1,0,1,0,0|1,0,1]=4 742 B12R2.2 c1ccc(cc1)c2nn[nH]n2 f100b45d83eacfe50ca1a73f883ae10a [0,1,0,1,0,0|2,0,0]=4 743 B12R1.27 C#CC(=O)NCc1ccccc1 7af84dc5a7d2034c8d0a1778bc429d59 [0,0,0,0,0,2|1,0,1]=4 744 B12R1.27 C=C(CC)CNc1ccccc1 109c052abdb53f9ddab28ed347d98fd8 [0,0,0,0,0,2|2,0,0]=4 745 B12R1.27 C=C(CNc1ccccc1)OC bb949f54d2f54d3e6e888faf57686f4e [0,0,0,0,0,2|2,0,0]=4 746 B12R1.27 C=CC(=O)NCc1ccccc1 35494ddcd383d6504b7e0ac93d2e54a2 [0,0,0,0,0,2|1,0,1]=4 747 B12R1.27 CCC(=O)CNc1ccccc1 8a00a9b87cff2992f22bb204b9e2670f [0,0,0,0,0,2|1,0,0]=3 748 B12R1.27 CCC(=O)CNc1ccccn1 2d342bf045411702eec8a271afb524c7 [0,0,0,0,0,2|2,0,0]=4 749 B12R1.27 CCC(=O)CNc1cccnc1 1504cf6a29e5927e00fbb7fbe9fae424 [0,0,0,0,0,2|2,0,0]=4 750 B12R1.27 CCC(=O)CNc1ccncc1 bb08ae1abbdea9bdec7ae829443f455d [0,0,0,0,0,2|2,0,0]=4 751 B12R1.27 CCC(=O)COc1ccccn1 3a724b1bda77ee3c2eba66bde7c3ebc1 [0,0,0,0,0,2|2,0,0]=4 752 B12R1.27 CCC(=O)COc1cccnc1 b80719a3406cee7589ce2d1a152f5933 [0,0,0,0,0,2|2,0,0]=4 753 B12R1.27 CCC(=O)COc1ccncc1 00ef9df8c2954a5dbdd027032485abe5 [0,0,0,0,0,2|2,0,0]=4 754 B12R1.27 CCC(=O)NCc1ccccc1 cd109163e80059e2763660343f9dbe36 [0,0,0,0,0,2|1,0,0]=3 755 B12R1.27 CCC(=O)NCc1ccccn1 8feeaaa17ff0b8e92392e088c3f6feb2 [0,0,0,0,0,2|2,0,0]=4 756 B12R1.27 CCC(=O)NCc1cccnc1 163349dbb40d7f18c251a823056c2629 [0,0,0,0,0,2|2,0,0]=4 757 B12R1.27 CCC(=O)NCc1ccncc1 144e26626888e38f930efdfdcacd3026 [0,0,0,0,0,2|2,0,0]=4 758 B12R1.27 CNC(=O)CNc1ccccc1 9c8781c492a9bef282f2e4766dfd7321 [0,0,0,0,0,2|0,0,0]=2 759 B12R1.27 CNC(=O)CNc1ccccn1 fc4762116a27bb8b6ea53a6e66542d19 [0,0,0,0,0,2|1,0,0]=3 760 B12R1.27 CNC(=O)CNc1cccnc1 e74073d8f4796974c660596e377c33cf [0,0,0,0,0,2|1,0,0]=3 761 B12R1.27 CNC(=O)CNc1cccnn1 64c5af8e97476b22040e8c30e4408cb4 [0,0,0,0,0,2|2,0,0]=4 762 B12R1.27 CNC(=O)CNc1ccncc1 cb6bf41ad771ff76a746a99e372cd865 [0,0,0,0,0,2|1,0,0]=3 763 B12R1.27 CNC(=O)CNc1ccncn1 c0669f5b7b0f951d38ee50f87a994a04 [0,0,0,0,0,2|2,0,0]=4 764 B12R1.27 CNC(=O)CNc1ccnnc1 e32ab8448ea06344b91a77f1d56fd4a7 [0,0,0,0,0,2|2,0,0]=4 765 B12R1.27 CNC(=O)CNc1cnccn1 5ba9037bd82d564b7d2cf5f746ad8b38 [0,0,0,0,0,2|2,0,0]=4 766 B12R1.27 CNC(=O)CNc1cncnc1 54052eb13c40fd5024fe059799f1f33c [0,0,0,0,0,2|2,0,0]=4 767 B12R1.27 CNC(=O)CNc1ncccn1 36d0b7d76a7f9cc540cdbddc00ed3274 [0,0,0,0,0,2|2,0,0]=4 768 B12R1.27 CNC(=O)COc1ccccn1 bd4756c0f0116ab38b1a4beac8202f0e [0,0,0,0,0,2|1,0,0]=3 769 B12R1.27 CNC(=O)COc1cccnc1 609ec57943b9a9b0a728c8221c1b3313 [0,0,0,0,0,2|1,0,0]=3 770 B12R1.27 CNC(=O)COc1ccncc1 fdffb7e35ed97f6ad7614209cd65357a [0,0,0,0,0,2|1,0,0]=3 771 B12R1.27 CNC(=O)COc1ccnnc1 350c3df6381c3c7701a6a2c8f329669c [0,0,0,0,0,2|2,0,0]=4 772 B12R1.27 CNC(=O)COc1cnccn1 5291d23d84528a76c83f63a87c73cb99 [0,0,0,0,0,2|2,0,0]=4 773 B12R1.27 CNC(=O)COc1cncnc1 c6af728bc682c64af92248f4cffaaeb5 [0,0,0,0,0,2|2,0,0]=4 774 B12R1.27 CNC(=O)COc1ncccn1 aa41edc9e81bdf7efd07fc8802aa374a [0,0,0,0,0,2|2,0,0]=4 775 B12R1.27 COC(=O)CNc1ccccc1 4732dba1106eb1ebf4644524cb0d5858 [0,0,0,0,0,2|1,0,0]=3 776 B12R1.27 COC(=O)CNc1ccccn1 422ec05b49687667e2eb26080da1b005 [0,0,0,0,0,2|2,0,0]=4 777 B12R1.27 COC(=O)CNc1cccnc1 bb8fa453cbe767f1bfa38300e2133b6f [0,0,0,0,0,2|2,0,0]=4 778 B12R1.27 COC(=O)CNc1ccncc1 4b6a9e8b399f3b2656c00a1a6d53d873 [0,0,0,0,0,2|2,0,0]=4 779 B12R1.27 COC(=O)COc1ccccn1 b9320fa8fadd3b157619c972c855ab22 [0,0,0,0,0,2|2,0,0]=4 780 B12R1.27 COC(=O)COc1cccnc1 4796298b812d84cf06b77d8bd60f9b41 [0,0,0,0,0,2|2,0,0]=4 781 B12R1.27 COC(=O)COc1ccncc1 0e6c838d44328ff91eb92d7c7be39fd1 [0,0,0,0,0,2|2,0,0]=4 782 B12R1.27 O=C(CF)NCc1ccccc1 44d0634b73cc2a3134198abb702adc32 [0,0,0,0,0,2|2,0,0]=4 783 B12R1.27 O=C(CNc1ccccc1)NO b700dc391e059a1fe9e2fea74fdf720f [0,0,0,0,0,2|1,0,0]=3 784 B12R1.27 O=C(CNc1ccccn1)NO be9d42adb21d4a69832949b9fc000cc0 [0,0,0,0,0,2|2,0,0]=4 785 B12R1.27 O=C(CNc1cccnc1)NO 8a27a50468684c1595a33212cebac4a8 [0,0,0,0,0,2|2,0,0]=4 786 B12R1.27 O=C(CNc1ccncc1)NO e534a6d29b9c11617e3a2a773fd0b2e3 [0,0,0,0,0,2|2,0,0]=4 787 B12R1.27 O=C(CO)CNc1ccccc1 1cf374c57dfb525ce3f48cecf3edf550 [0,0,0,0,0,2|2,0,0]=4 788 B12R1.27 O=C(CO)NCc1ccccc1 f4f787a5214848c6970058ebdb73c876 [0,0,0,0,0,2|2,0,0]=4 789 B12R1.27 O=C(CS)NCc1ccccc1 f91da9c658c39a4f0c257ce61b60a1a7 [0,0,0,0,0,2|2,0,0]=4 790 B12R1.27 O=CC(=O)NCc1ccccc1 970d8ad05ab6cb0901c43fa67531a907 [0,0,0,0,0,2|2,0,0]=4 791 B11R0.70 C=C/C=C/C(=O)NCC(=O)NC 95d7bd4bb1de1e7513ebf7c258a481c3 [0,2,1,0,0,0|0,0,1]=4 792 B11R0.70 C=C/C=C\C(=O)NCC(=O)NC c485a9eb6c1ac4a83ad19ff4b8c7d903 [0,2,1,0,0,0|0,0,1]=4 793 B11R0.70 C=CC=CC(=O)NCC(=O)NC 1668d507c810fd184230e848229de9a6 [0,2,1,0,0,0|0,0,1]=4 794 B11R1.1 CCNCc1ccc(cc1)Br 2cd51938999c20d02733c25a0b5c4804 [1,2,0,0,0,0|0,0,1]=4 795 B11R1.1 CCNCc1ccc(cc1)C 587aa1ee1f45a7f7f3762adcf6ab1e89 [1,2,0,0,0,0|0,0,1]=4 796 B11R1.1 CCNCc1ccc(cc1)Cl 521dc09ab663236062b599824b274153 [1,2,0,0,0,0|0,0,1]=4 797 B11R1.1 CCNCc1ccc(cc1)F 507a49f5c428a46a95718b00a3fd1bd9 [1,2,0,0,0,0|0,0,1]=4 798 B11R1.1 CCNCc1ccc(cc1)I cb00fc5924e1405950f010ec806d6a94 [1,2,0,0,0,0|0,0,1]=4 799 B11R1.1 Cc1ccc(cc1)CNCF 3d235376bf58ba37ce4fc4687e7358b9 [1,2,0,0,0,0|0,0,1]=4 800 B11R1.1 Cc1ccc(cc1)CNCO a64a75f18e5667093ebf917d1b07eefc [1,2,0,0,0,0|0,0,1]=4 801 B11R1.1 FCNCc1ccc(cc1)Br b716c1dcd41bf6fd6d535897c1b8ce0c [1,2,0,0,0,0|0,0,1]=4 802 B11R1.1 FCNCc1ccc(cc1)Cl 699409f205c611587d6f375bf5f31fce [1,2,0,0,0,0|0,0,1]=4 803 B11R1.1 FCNCc1ccc(cc1)F 25a744931aeb914e659c9f9632eb93fc [1,2,0,0,0,0|0,0,1]=4 804 B11R1.1 FCNCc1ccc(cc1)I d9e1151471912873877eda8a2b6050e5 [1,2,0,0,0,0|0,0,1]=4 805 B11R1.1 OCNCc1ccc(cc1)Br 29941d371c032fabf1b94e49679e2b91 [1,2,0,0,0,0|0,0,1]=4 806 B11R1.1 OCNCc1ccc(cc1)Cl 66d7e1612c59e389035460da5f165c29 [1,2,0,0,0,0|0,0,1]=4 807 B11R1.1 OCNCc1ccc(cc1)F e82a245e5fea20cb06713ef60eb282ff [1,2,0,0,0,0|0,0,1]=4 808 B11R1.1 OCNCc1ccc(cc1)I bba7fc5edf7c0932c8de644faad89e3d [1,2,0,0,0,0|0,0,1]=4 809 B11R1.17 CCNCc1ccccc1Br 8f6bd2781373b66afc29396cae666f02 [1,2,0,0,0,0|0,0,1]=4 810 B11R1.17 CCNCc1ccccc1C 284345fa1eb882542c433fcb95919ca4 [1,2,0,0,0,0|0,0,1]=4 811 B11R1.17 CCNCc1ccccc1Cl db65b4e8d8ccf115e617990e552ab4c8 [1,2,0,0,0,0|0,0,1]=4 812 B11R1.17 CCNCc1ccccc1F 9048c9b0864184d75154ea96f3fe50b8 [1,2,0,0,0,0|0,0,1]=4 813 B11R1.17 CCNCc1ccccc1I d0f5abf080424e879ba8e6dfea920ca7 [1,2,0,0,0,0|0,0,1]=4 814 B11R1.17 Cc1ccccc1CNCF 15e4bda543c50e3e0f080863eb75d61e [1,2,0,0,0,0|0,0,1]=4 815 B11R1.17 Cc1ccccc1CNCO f33352c0e02ea4b4ea9a0720598f200e [1,2,0,0,0,0|0,0,1]=4 816 B11R1.17 FCNCc1ccccc1Br dc60c3e5196679a6ad7a9fd07289336a [1,2,0,0,0,0|0,0,1]=4 817 B11R1.17 FCNCc1ccccc1Cl b2a7e5b738ab7ee1b7f97a02c137519e [1,2,0,0,0,0|0,0,1]=4 818 B11R1.17 FCNCc1ccccc1F c6a27c7f8e1ab840ee4f8b21e6ebec91 [1,2,0,0,0,0|0,0,1]=4 819 B11R1.17 FCNCc1ccccc1I 072ca4290b9a717a2a3ef28ccf6dc79f [1,2,0,0,0,0|0,0,1]=4 820 B11R1.17 OCNCc1ccccc1Br 0209dca586483b54ccb56f7ccd9012ce [1,2,0,0,0,0|0,0,1]=4 821 B11R1.17 OCNCc1ccccc1Cl 5475d2d62064a77dd3e8f040ca795a73 [1,2,0,0,0,0|0,0,1]=4 822 B11R1.17 OCNCc1ccccc1F a78f02dd794e5b9637da439e4010cc0a [1,2,0,0,0,0|0,0,1]=4 823 B11R1.17 OCNCc1ccccc1I 6ad26aea5b9fc20136e87fd70971bc76 [1,2,0,0,0,0|0,0,1]=4 824 B11R1.24 CCNCc1cccc(c1)Br 7cc097aea1efe8376684166a5d7a74a3 [1,2,0,0,0,0|0,0,1]=4 825 B11R1.24 CCNCc1cccc(c1)C 8711965bd65b9b9cae0b5574aaf9df19 [1,2,0,0,0,0|0,0,1]=4 826 B11R1.24 CCNCc1cccc(c1)Cl 35f4a4fcd3415e84e248be1142a75e6e [1,2,0,0,0,0|0,0,1]=4 827 B11R1.24 CCNCc1cccc(c1)F a045945dd7664750cd4517426a30ddec [1,2,0,0,0,0|0,0,1]=4 828 B11R1.24 CCNCc1cccc(c1)I a0250fe998532bc25a8c10c3d959951b [1,2,0,0,0,0|0,0,1]=4 829 B11R1.24 Cc1cccc(c1)CNCF 26331ce248fc61a15345fc123ac841ae [1,2,0,0,0,0|0,0,1]=4 830 B11R1.24 Cc1cccc(c1)CNCO d0a6ec7f4afcd99e7d28be3d4dacede0 [1,2,0,0,0,0|0,0,1]=4 831 B11R1.24 FCNCc1cccc(c1)Br 7d04e2339b42e8f2d0122b4fdbb3009d [1,2,0,0,0,0|0,0,1]=4 832 B11R1.24 FCNCc1cccc(c1)Cl e145b682fefd1d3baa7ebff04addc07b [1,2,0,0,0,0|0,0,1]=4 833 B11R1.24 FCNCc1cccc(c1)F 6e9400ce8cf9ff79d0c0062ec100268a [1,2,0,0,0,0|0,0,1]=4 834 B11R1.24 FCNCc1cccc(c1)I 3974009fe99bec9ffdffbaebd85438b2 [1,2,0,0,0,0|0,0,1]=4 835 B11R1.24 OCNCc1cccc(c1)Br 9ae94d6fc4c7aac28899119fef51b5ec [1,2,0,0,0,0|0,0,1]=4 836 B11R1.24 OCNCc1cccc(c1)Cl 713c7b0184423731a15a73fa223201b6 [1,2,0,0,0,0|0,0,1]=4 837 B11R1.24 OCNCc1cccc(c1)F a12edc0401d7c1be2d7abc20d4ca38fc [1,2,0,0,0,0|0,0,1]=4 838 B11R1.24 OCNCc1cccc(c1)I f7370a634a3488ab18a27f63d6247824 [1,2,0,0,0,0|0,0,1]=4 839 B11R1.28 BrCCNCc1ccccc1 ac057fc43e8d6ea85181427003cd8239 [1,2,0,0,0,0|0,0,1]=4 840 B11R1.28 C#CCNCc1ccccc1 5ab7d08152aaaf12430a9163e509ecd1 [1,2,0,0,0,0|0,0,1]=4 841 B11R1.28 C/C=C/CNc1ccccc1 e02cbeaffef0ff2c4795b558e93457ed [1,2,0,0,0,0|1,0,0]=4 842 B11R1.28 C/C=C\CNc1ccccc1 f25f4c9ee5d52b5a340bd4a7fd720817 [1,2,0,0,0,0|1,0,0]=4 843 B11R1.28 C=CCNCc1ccccc1 c3088ea78b0f7fe35bdb5a0a79f4eb2a [1,2,0,0,0,0|0,0,1]=4 844 B11R1.28 CC=CCNc1ccccc1 c43b41b8b675349badfe26c48e3f7c5f [1,2,0,0,0,0|1,0,0]=4 845 B11R1.28 CCCNCc1ccccc1 6e74fa6187fccbc3617e9cc264b3e7aa [1,2,0,0,0,0|0,0,1]=4 846 B11R1.28 CCNCCc1ccccc1 a4bcdd097e726e04ab2794cdb42f5f71 [1,2,0,0,0,0|0,0,1]=4 847 B11R1.28 COCNCc1ccccc1 658bb4bb78d053244c07843f6f02f062 [1,2,0,0,0,0|0,0,1]=4 848 B11R1.28 CSCNCc1ccccc1 5b3aef5f0ecdedc4b2903ec980e5dc72 [1,2,0,0,0,0|0,0,1]=4 849 B11R1.28 FCCNCc1ccccc1 562ef8707f4288c2162274968d966312 [1,2,0,0,0,0|0,0,1]=4 850 B11R1.28 FCNCCc1ccccc1 0081f6dcce701ffe77378524f92f490b [1,2,0,0,0,0|0,0,1]=4 851 B11R1.28 ICCNCc1ccccc1 697ca1617b546014ae02b06ad2981d8a [1,2,0,0,0,0|0,0,1]=4 852 B11R1.28 N#CCNCc1ccccc1 f23a3b4a1088925db39a0117b8e4d4c1 [1,2,0,0,0,0|0,0,1]=4 853 B11R1.28 O=CCNCc1ccccc1 2b4b8121ff6ad050b40b87d13d8f5a1a [1,2,0,0,0,0|0,0,1]=4 854 B11R1.28 OCCNCc1ccccc1 6075728aab81556d5096d2980e4afa2d [1,2,0,0,0,0|0,0,1]=4 855 B11R1.28 OCNCCc1ccccc1 dba1af705064b03a49f56a10af922b9a [1,2,0,0,0,0|0,0,1]=4 856 B11R1.28 SCCNCc1ccccc1 842b711568e585283783756ca8279842 [1,2,0,0,0,0|0,0,1]=4 857 B11R1.91 CC(=O)NCc1ccccc1 29a87354e4243d3817f046f8152f971d [1,2,0,0,0,0|0,0,1]=4 858 B11R1.91 CC(C)NCc1ccccc1 60272e3c9303882f29d21331dcab1491 [1,2,0,0,0,0|0,0,1]=4 859 B11R1.91 CN(C)CNc1ccccc1 6ea2b21a530eb73fceed274bf1825a42 [1,2,0,0,0,0|0,0,1]=4 860 B11R1.29 C#CCNC(=O)c1ccco1 54ff4fbf94cdf57e102cd95c169c2b22 [0,2,0,0,1,0|1,0,0]=4 861 B11R1.29 C#CCNC(=O)c1cccs1 a73f20fac8a22321b114b7ca12fcbd41 [0,2,0,0,1,0|1,0,0]=4 862 B11R1.29 C#CCNC(=O)c1ccoc1 9240ec057df7bd3f2341883dcee7d15f [0,2,0,0,1,0|1,0,0]=4 863 B11R1.29 C#CCNC(=O)c1ccsc1 709c14b7088d3b5907c76f941dd5b5c2 [0,2,0,0,1,0|1,0,0]=4 864 B11R1.29 CCCNC(=O)c1ccco1 d8640482dae316c354eef2e19d31ea28 [0,2,0,0,1,0|1,0,0]=4 865 B11R1.29 CCCNC(=O)c1cccs1 1ae41568b1bb950c7d429998b0d28b35 [0,2,0,0,1,0|1,0,0]=4 866 B11R1.29 CCCNC(=O)c1ccoc1 b710ca9b77d5dd5c6625c458d5e02fff [0,2,0,0,1,0|1,0,0]=4 867 B11R1.29 CCCNC(=O)c1ccsc1 f3d21a60ff16bfd1a406284ddaeeda64 [0,2,0,0,1,0|1,0,0]=4 868 B11R1.29 N#CCNC(=O)c1ccco1 d313d8b0ce76d9c99b94fac6efbe655d [0,2,0,0,1,0|1,0,0]=4 869 B11R1.29 N#CCNC(=O)c1cccs1 13176c523a2d4c2196241743e91c74ce [0,2,0,0,1,0|1,0,0]=4 870 B11R1.29 N#CCNC(=O)c1ccoc1 2c933c6740f3326b367674af12fc9d4d [0,2,0,0,1,0|1,0,0]=4 871 B11R1.29 N#CCNC(=O)c1ccsc1 7763c235d27b4b44f8a661fff8b23c14 [0,2,0,0,1,0|1,0,0]=4 872 B11R1.29 O=C(NCCBr)c1ccco1 a0a02576173476b1d0f57aa98df99ffa [0,2,0,0,1,0|1,0,0]=4 873 B11R1.29 O=C(NCCBr)c1cccs1 331cf389663d77aeea0129bf68a2925d [0,2,0,0,1,0|1,0,0]=4 874 B11R1.29 O=C(NCCBr)c1ccoc1 f17b4805ccc8050fa79e72b10af601a3 [0,2,0,0,1,0|1,0,0]=4 875 B11R1.29 O=C(NCCBr)c1ccsc1 e38ae1ea88454d8bd1978965b12e5086 [0,2,0,0,1,0|1,0,0]=4 876 B11R1.29 O=C(NCCF)c1ccco1 3debe2a549207ec0880069641356d391 [0,2,0,0,1,0|1,0,0]=4 877 B11R1.29 O=C(NCCF)c1cccs1 9dae2ac8adb10fc0a2a428c2efd9277c [0,2,0,0,1,0|1,0,0]=4 878 B11R1.29 O=C(NCCF)c1ccoc1 dc7d561c6a59183e9b5592773f8ccae0 [0,2,0,0,1,0|1,0,0]=4 879 B11R1.29 O=C(NCCF)c1ccsc1 5671a45f2671253d004b5c4a0d81ee8b [0,2,0,0,1,0|1,0,0]=4 880 B11R1.29 O=C(NCCI)c1ccco1 5f8d286413b9d386aa5f26a345db8e0d [0,2,0,0,1,0|1,0,0]=4 881 B11R1.29 O=C(NCCI)c1cccs1 5c45c09620601b3f7f3d99c70e7c8eec [0,2,0,0,1,0|1,0,0]=4 882 B11R1.29 O=C(NCCI)c1ccoc1 937c026f38ef0d37ba356822a011d166 [0,2,0,0,1,0|1,0,0]=4 883 B11R1.29 O=C(NCCI)c1ccsc1 73851a3bb363013c32e7ebbc55213373 [0,2,0,0,1,0|1,0,0]=4 884 B11R1.29 O=C(NCCO)c1ccco1 d1dff333f1685197c7717060e53f80c8 [0,2,0,0,1,0|1,0,0]=4 885 B11R1.29 O=C(NCCO)c1cccs1 188d85a1296df35506e6f58e072aa86e [0,2,0,0,1,0|1,0,0]=4 886 B11R1.29 O=C(NCCO)c1ccoc1 26f27fa8047d75aba267ec90ff5f5db5 [0,2,0,0,1,0|1,0,0]=4 887 B11R1.29 O=C(NCCO)c1ccsc1 cd4b4e6a612d00f35fffe04cc8f8d9b0 [0,2,0,0,1,0|1,0,0]=4 888 B11R1.29 O=C(NCCS)c1ccco1 32077be75d73ebb14fb9991bd123b7cd [0,2,0,0,1,0|1,0,0]=4 889 B11R1.29 O=C(NCCS)c1cccs1 c2a462f6c11566c870af0f7b13d5fade [0,2,0,0,1,0|1,0,0]=4 890 B11R1.29 O=C(NCCS)c1ccoc1 1c37d5ab00bec609b56f86d92eede865 [0,2,0,0,1,0|1,0,0]=4 891 B11R1.29 O=C(NCCS)c1ccsc1 b12a79ad271bb7b9ba5d316882d21f81 [0,2,0,0,1,0|1,0,0]=4 892 B11R1.31 CCN(C)C(=O)c1ccco1 1b82eb35c96b085b915540c07bac3920 [0,2,0,0,1,0|1,0,0]=4 893 B11R1.31 CCN(C)C(=O)c1cccs1 80970f2e6f1dc626206597e2cfac810d [0,2,0,0,1,0|1,0,0]=4 894 B11R1.31 CCN(C)C(=O)c1ccoc1 94cd0d13e4987cc7ea5346c09ac3c490 [0,2,0,0,1,0|1,0,0]=4 895 B11R1.31 CCN(C)C(=O)c1ccsc1 75dfa03b0f4d819df52cc1c3c1e3dea2 [0,2,0,0,1,0|1,0,0]=4 896 B13R1.11 CCC(=O)CN(C)c1ccccc1 26158bf5422d650b32ece8bc535cfa2a [0,1,0,0,0,2|1,0,0]=4 897 B13R1.11 CCC(=O)NC(C)c1ccccc1 1d4d8e813511b04ea6378869844953a9 [0,1,0,0,0,2|1,0,0]=4 898 B13R1.11 CCC(=O)N[C@@H](C)c1ccccc1 84a2599bdbea7b0ea3b6d99c77e20219 [0,1,0,0,0,2|1,0,0]=4 899 B13R1.11 CCC(=O)N[C@H](C)c1ccccc1 d5024c7ce60fcb09186172c9c4cdb58b [0,1,0,0,0,2|1,0,0]=4 900 B13R1.11 CNC(=O)CN(C)c1ccccc1 dfb9c42618561fc9c15f7b294dcdc835 [0,1,0,0,0,2|0,0,0]=3 901 B13R1.11 CNC(=O)CN(C)c1ccccn1 bf39e0dd70213cee44b7ce55894f40a5 [0,1,0,0,0,2|1,0,0]=4 902 B13R1.11 CNC(=O)CN(C)c1cccnc1 c63b59feb46d51da94bd8ec8d983d15b [0,1,0,0,0,2|1,0,0]=4 903 B13R1.11 CNC(=O)CN(C)c1ccncc1 abe0d52703ec5302b223d233a2b77c29 [0,1,0,0,0,2|1,0,0]=4 904 B13R1.11 COC(=O)CN(C)c1ccccc1 a6a5c684a2d978a83189839443c4b228 [0,1,0,0,0,2|1,0,0]=4 905 B13R1.14 CCC(=O)CNc1ccc(cc1)Br 0c67a3880fde14105e7e3a0ddd9e5cf5 [0,1,0,0,0,2|1,0,0]=4 906 B13R1.14 CCC(=O)CNc1ccc(cc1)C 7d29101880cb6abc4973fb05a10ac976 [0,1,0,0,0,2|1,0,0]=4 907 B13R1.14 CCC(=O)CNc1ccc(cc1)Cl c4c2a042cb805f1b72a419e54b644e90 [0,1,0,0,0,2|1,0,0]=4 908 B13R1.14 CCC(=O)CNc1ccc(cc1)F c29c8a4cf289914cf805eebdab3d0f43 [0,1,0,0,0,2|1,0,0]=4 909 B13R1.14 CCC(=O)CNc1ccc(cc1)I a40830578c411919ef2c10b6c3d9cd02 [0,1,0,0,0,2|1,0,0]=4 910 B13R1.14 CCC(=O)CNc1ccc(cc1)S 2fea83779591867500aac16adc2f8285 [0,1,0,0,0,2|1,0,0]=4 911 B13R1.14 CCC(=O)COc1ccc(cc1)Br 1191454a7eb6795a97569d4c8419d539 [0,1,0,0,0,2|1,0,0]=4 912 B13R1.14 CCC(=O)COc1ccc(cc1)C 8e64fbe163827c9bb34603287ba66318 [0,1,0,0,0,2|1,0,0]=4 913 B13R1.14 CCC(=O)COc1ccc(cc1)Cl 6995c26ae3eb4be2c433bc8fc58afc9c [0,1,0,0,0,2|1,0,0]=4 914 B13R1.14 CCC(=O)COc1ccc(cc1)F 5a43c0accc47e78c3c7eb3541e5caf60 [0,1,0,0,0,2|1,0,0]=4 915 B13R1.14 CCC(=O)COc1ccc(cc1)I af64f2be6f064ccbbdca50451c85e410 [0,1,0,0,0,2|1,0,0]=4 916 B13R1.14 CCC(=O)COc1ccc(cc1)S b895ce32737225a1a98bb52c4042e3bc [0,1,0,0,0,2|1,0,0]=4 917 B13R1.14 CCC(=O)NCc1ccc(cc1)Br faa32b06d7d8513d347632cf9c3d3fdb [0,1,0,0,0,2|1,0,0]=4 918 B13R1.14 CCC(=O)NCc1ccc(cc1)C 1ea7e330e34be5070408dc8c465bb30b [0,1,0,0,0,2|1,0,0]=4 919 B13R1.14 CCC(=O)NCc1ccc(cc1)Cl be55e6bd2d145ea5f07ff289f4292483 [0,1,0,0,0,2|1,0,0]=4 920 B13R1.14 CCC(=O)NCc1ccc(cc1)F 10969f624bf0bd7f211a56abe53d2b46 [0,1,0,0,0,2|1,0,0]=4 921 B13R1.14 CCC(=O)NCc1ccc(cc1)I 5047de73e73ef1b301d200e4a7d50f5c [0,1,0,0,0,2|1,0,0]=4 922 B13R1.14 CCC(=O)NCc1ccc(cc1)O 010013155ea0a3f3bf3c74d1e28facd4 [0,1,0,0,0,2|1,0,0]=4 923 B13R1.14 CNC(=O)CNc1ccc(=O)[nH]c1 8a5428dba3d4b1d77e7c2e393f7ac366 [0,1,0,0,0,2|1,0,0]=4 924 B13R1.14 CNC(=O)CNc1ccc(cc1)Br 5a8521937d9f15499cc5ac2cdccd18a6 [0,1,0,0,0,2|0,0,0]=3 925 B13R1.14 CNC(=O)CNc1ccc(cc1)C eebc93513ecea985b0407a7653034e96 [0,1,0,0,0,2|0,0,0]=3 926 B13R1.14 CNC(=O)CNc1ccc(cc1)Cl 939506b92ed5c1e5c057d5616bcb2273 [0,1,0,0,0,2|0,0,0]=3 927 B13R1.14 CNC(=O)CNc1ccc(cc1)F e921dabcf1d738c8eddc641851689737 [0,1,0,0,0,2|0,0,0]=3 928 B13R1.14 CNC(=O)CNc1ccc(cc1)I f7af96f4f5365ee52924818714478141 [0,1,0,0,0,2|0,0,0]=3 929 B13R1.14 CNC(=O)CNc1ccc(cc1)S 987c9c02c38ec708160a7cd17cbb7c3b [0,1,0,0,0,2|0,0,0]=3 930 B13R1.14 CNC(=O)CNc1ccc(cn1)Br 9b939a314eb1fee15411c745bbc88b39 [0,1,0,0,0,2|1,0,0]=4 931 B13R1.14 CNC(=O)CNc1ccc(cn1)C f0fe5d5325ceeb836d7ac75a990586d6 [0,1,0,0,0,2|1,0,0]=4 932 B13R1.14 CNC(=O)CNc1ccc(cn1)Cl dc98cf4e7f8b58b81b82a7def9d4c7f1 [0,1,0,0,0,2|1,0,0]=4 933 B13R1.14 CNC(=O)CNc1ccc(cn1)F 69eb7104a66f6f32625774d1cf138caa [0,1,0,0,0,2|1,0,0]=4 934 B13R1.14 CNC(=O)CNc1ccc(cn1)I 57c10e5e6365bb4f1d88c85c497f695d [0,1,0,0,0,2|1,0,0]=4 935 B13R1.14 CNC(=O)CNc1ccc(cn1)S abf9fa002b73adf77ed9f8d3f86bd046 [0,1,0,0,0,2|1,0,0]=4 936 B13R1.14 CNC(=O)CNc1ccc(nc1)Br 76f566f69461609e8babf4cd69c7aff5 [0,1,0,0,0,2|1,0,0]=4 937 B13R1.14 CNC(=O)CNc1ccc(nc1)C 8e03a69e7bf623008ca7a960397457c6 [0,1,0,0,0,2|1,0,0]=4 938 B13R1.14 CNC(=O)CNc1ccc(nc1)Cl 532e988177c1db8a7dbec3152e2d889b [0,1,0,0,0,2|1,0,0]=4 939 B13R1.14 CNC(=O)CNc1ccc(nc1)F beec5a1b36cfaf06cb4fcbf997b71b9f [0,1,0,0,0,2|1,0,0]=4 940 B13R1.14 CNC(=O)CNc1ccc(nc1)I 0b3e656649aee0117eb7e2a13b629bc0 [0,1,0,0,0,2|1,0,0]=4 941 B13R1.14 CNC(=O)CNc1ccc(nc1)S d98e35d10ec71a9edc9e5911aea60e50 [0,1,0,0,0,2|1,0,0]=4 942 B13R1.14 CNC(=O)COc1ccc(cc1)Br 0adde5d823cdae657ac204c0bdfa6762 [0,1,0,0,0,2|0,0,0]=3 943 B13R1.14 CNC(=O)COc1ccc(cc1)C 5ea5587b0fd652c06528d6b7fbee9a97 [0,1,0,0,0,2|0,0,0]=3 944 B13R1.14 CNC(=O)COc1ccc(cc1)Cl 33267df0d5fc2ec51e814f42a3e2f7fe [0,1,0,0,0,2|0,0,0]=3 945 B13R1.14 CNC(=O)COc1ccc(cc1)F 239b047c414359d4e3bbdb2a5503d4ac [0,1,0,0,0,2|0,0,0]=3 946 B13R1.14 CNC(=O)COc1ccc(cc1)I 8046dbf8c0368e8139477b3adc9d93e4 [0,1,0,0,0,2|0,0,0]=3 947 B13R1.14 CNC(=O)COc1ccc(cc1)S 9c6564f81345e93c9495b6c30dcb1be0 [0,1,0,0,0,2|0,0,0]=3 948 B13R1.14 CNC(=O)COc1ccc(cn1)C 1c2a982bb7c218f7ea19b61c21f13b29 [0,1,0,0,0,2|1,0,0]=4 949 B13R1.14 CNC(=O)COc1ccc(cn1)Cl 4c9c343229cd6d0e56ea4c083d8fe85f [0,1,0,0,0,2|1,0,0]=4 950 B13R1.14 CNC(=O)COc1ccc(cn1)F 64beb7523de7f208e6c183e8e1377098 [0,1,0,0,0,2|1,0,0]=4 951 B13R1.14 CNC(=O)COc1ccc(cn1)I 6a23fe40f82a5e7368132c67ac99effd [0,1,0,0,0,2|1,0,0]=4 952 B13R1.14 CNC(=O)COc1ccc(nc1)Br f6dc257de05270cfe61a0f884d308559 [0,1,0,0,0,2|1,0,0]=4 953 B13R1.14 CNC(=O)COc1ccc(nc1)C 34896032bc2e36b7bcd6df207917deec [0,1,0,0,0,2|1,0,0]=4 954 B13R1.14 CNC(=O)COc1ccc(nc1)Cl bafc5ea211b0ffdd9495b8daf1dbd00e [0,1,0,0,0,2|1,0,0]=4 955 B13R1.14 CNC(=O)COc1ccc(nc1)F de409db9c6e70f23ffae04806f0b9ecd [0,1,0,0,0,2|1,0,0]=4 956 B13R1.14 CNC(=O)COc1ccc(nc1)I 2866ad7f944e66ae32c2b3197b396dfd [0,1,0,0,0,2|1,0,0]=4 957 B13R1.14 COC(=O)CNc1ccc(cc1)Br 61edd2f0a9d4b3f33a1b3b9406bc324c [0,1,0,0,0,2|1,0,0]=4 958 B13R1.14 COC(=O)CNc1ccc(cc1)C 1454e2553104ae8ed78bd8b4fa4f384f [0,1,0,0,0,2|1,0,0]=4 959 B13R1.14 COC(=O)CNc1ccc(cc1)Cl 409dd66db09177d1620e4fc96dcbe78f [0,1,0,0,0,2|1,0,0]=4 960 B13R1.14 COC(=O)CNc1ccc(cc1)F 85d6a70899fd4d423a91437d5c14f771 [0,1,0,0,0,2|1,0,0]=4 961 B13R1.14 COC(=O)CNc1ccc(cc1)I 0c3fb017014cdfdb65cec5fd0799d008 [0,1,0,0,0,2|1,0,0]=4 962 B13R1.14 COC(=O)CNc1ccc(cc1)S 9517ffc9e5c10b7cdc3cdd88067e75f6 [0,1,0,0,0,2|1,0,0]=4 963 B13R1.14 COC(=O)COc1ccc(cc1)Br afac7be64118c01e1cc1b0ff07e12764 [0,1,0,0,0,2|1,0,0]=4 964 B13R1.14 COC(=O)COc1ccc(cc1)C fdbc05bf9e6fc641851fbbf925fc836d [0,1,0,0,0,2|1,0,0]=4 965 B13R1.14 COC(=O)COc1ccc(cc1)Cl cb21815dbdad66cd55ef1de4725a9952 [0,1,0,0,0,2|1,0,0]=4 966 B13R1.14 COC(=O)COc1ccc(cc1)F 707b84b8e7f1c4dda61527edb9ac1721 [0,1,0,0,0,2|1,0,0]=4 967 B13R1.14 COC(=O)COc1ccc(cc1)I ce34d49c3dc83bba027486157ed0ac66 [0,1,0,0,0,2|1,0,0]=4 968 B13R1.14 COC(=O)COc1ccc(cc1)S 16fcfea0b5b29f1e3c738c094f7249bb [0,1,0,0,0,2|1,0,0]=4 969 B13R1.14 Cc1ccc(cc1)NCC(=O)NO e15278623ffbd97882312af9af46bec3 [0,1,0,0,0,2|1,0,0]=4 970 B13R1.14 O=C(CNc1ccc(cc1)F)NO 1fb6cca75e9b6f5bb7a4f636c64f7dd9 [0,1,0,0,0,2|1,0,0]=4 971 B13R1.14 O=C(CNc1ccc(cc1)S)NO 3dd3f1086bb8e0a1c7f539f8222ee9fe [0,1,0,0,0,2|1,0,0]=4 972 B13R1.15 CCC(=O)CNc1cccc(c1)Br 0abc1913fb3495263f6eee2aee028815 [0,1,0,0,0,2|1,0,0]=4 973 B13R1.15 CCC(=O)CNc1cccc(c1)C 8d672c2fbdeedac0d30e05ec1c64320e [0,1,0,0,0,2|1,0,0]=4 974 B13R1.15 CCC(=O)CNc1cccc(c1)Cl 831f1430ee48ecaf130c4509c7802764 [0,1,0,0,0,2|1,0,0]=4 975 B13R1.15 CCC(=O)CNc1cccc(c1)F 196e850b31befa16ce4cb5aacd8e5b26 [0,1,0,0,0,2|1,0,0]=4 976 B13R1.15 CCC(=O)CNc1cccc(c1)I 6d8a0a1fd59fdc94015f622bc7c93ddb [0,1,0,0,0,2|1,0,0]=4 977 B13R1.15 CCC(=O)CNc1cccc(c1)S be4993764e3b9d8e1856e92a6bcd76c0 [0,1,0,0,0,2|1,0,0]=4 978 B13R1.15 CCC(=O)COc1cccc(c1)Br 48c57d9b901f1b7e080ec1e3694f45c7 [0,1,0,0,0,2|1,0,0]=4 979 B13R1.15 CCC(=O)COc1cccc(c1)C f2bcf01192c17e987fbbe3878f1eafbf [0,1,0,0,0,2|1,0,0]=4 980 B13R1.15 CCC(=O)COc1cccc(c1)Cl b3dbe9406892cb4fad6f92fd4ac0ac7d [0,1,0,0,0,2|1,0,0]=4 981 B13R1.15 CCC(=O)COc1cccc(c1)F 6f13742551b1e71c2ff4cdfb0c38f3cd [0,1,0,0,0,2|1,0,0]=4 982 B13R1.15 CCC(=O)COc1cccc(c1)I 81db9428e7971998acedcb9e0c2c8bd9 [0,1,0,0,0,2|1,0,0]=4 983 B13R1.15 CCC(=O)COc1cccc(c1)S 0e9c357fd06a3760f1a9bfff7b443bf1 [0,1,0,0,0,2|1,0,0]=4 984 B13R1.15 CCC(=O)NCc1cccc(c1)Br 7858e2492373ddbc1dda2c766b87d245 [0,1,0,0,0,2|1,0,0]=4 985 B13R1.15 CCC(=O)NCc1cccc(c1)C ac427e61c46f70a4ecf36e74e2b15ec0 [0,1,0,0,0,2|1,0,0]=4 986 B13R1.15 CCC(=O)NCc1cccc(c1)Cl d54d8afdc80c3af0a131e5075cc54a6c [0,1,0,0,0,2|1,0,0]=4 987 B13R1.15 CCC(=O)NCc1cccc(c1)F d7352ba9c30daf9a8dff87c7c160d0e8 [0,1,0,0,0,2|1,0,0]=4 988 B13R1.15 CCC(=O)NCc1cccc(c1)I 1a511d6bca7153c8ad1a8ae32357153e [0,1,0,0,0,2|1,0,0]=4 989 B13R1.15 CCC(=O)NCc1cccc(c1)O ac8c831a89cbbb7628e1cf8c09410302 [0,1,0,0,0,2|1,0,0]=4 990 B13R1.15 CNC(=O)CNc1cc(ccn1)Br 19fe7acfb73a697098d6591d2a0551c2 [0,1,0,0,0,2|1,0,0]=4 991 B13R1.15 CNC(=O)CNc1cc(ccn1)C 3622c312dbb60d76d46f29f42b51252d [0,1,0,0,0,2|1,0,0]=4 992 B13R1.15 CNC(=O)CNc1cc(ccn1)Cl 92a9bc6577221de88c471afea6d59802 [0,1,0,0,0,2|1,0,0]=4 993 B13R1.15 CNC(=O)CNc1cc(ccn1)F 22e46a1677f4d20ff0aa11216e474bac [0,1,0,0,0,2|1,0,0]=4 994 B13R1.15 CNC(=O)CNc1cc(ccn1)I 14f1b8451b0f6f4af643ae81b4376f9a [0,1,0,0,0,2|1,0,0]=4 995 B13R1.15 CNC(=O)CNc1cc(ccn1)O abe86c1f7b708a941040fc2863bf4b01 [0,1,0,0,0,2|1,0,0]=4 996 B13R1.15 CNC(=O)CNc1cc[nH]c(=O)c1 5179fd6a1d126547eae8615cf8381e4e [0,1,0,0,0,2|1,0,0]=4 997 B13R1.15 CNC(=O)CNc1cc[nH]c(=S)c1 fe739c79b798e7422aecd86441db5769 [0,1,0,0,0,2|1,0,0]=4 998 B13R1.15 CNC(=O)CNc1ccc[n+](c1)[O-] f2213604a7f72c66747a9045eb970bce [0,1,0,0,0,2|1,0,0]=4 999 B13R1.15 CNC(=O)CNc1cccc(=O)[nH]1 8d2e812c6be3b97b101cb0306cef90dc [0,1,0,0,0,2|1,0,0]=4 1000 B13R1.15 CNC(=O)CNc1cccc(c1)Br 9dc33250d261664136a157a573ea86f1 [0,1,0,0,0,2|0,0,0]=3 1001 B13R1.15 CNC(=O)CNc1cccc(c1)C 67dec1060918a142bdf05265e1820ddf [0,1,0,0,0,2|0,0,0]=3 1002 B13R1.15 CNC(=O)CNc1cccc(c1)Cl e2b148226b7cef67ee85f20a671e3098 [0,1,0,0,0,2|0,0,0]=3 1003 B13R1.15 CNC(=O)CNc1cccc(c1)F a20ea0fb9548b94283c3bbf6cfc773bd [0,1,0,0,0,2|0,0,0]=3 1004 B13R1.15 CNC(=O)CNc1cccc(c1)I 5baeb92589d52106d4c102b103f2fc1c [0,1,0,0,0,2|0,0,0]=3 1005 B13R1.15 CNC(=O)CNc1cccc(c1)O ee88701b15c5fa297389b7b64902571a [0,1,0,0,0,2|0,0,0]=3 1006 B13R1.15 CNC(=O)CNc1cccc(c1)S 95f6be062e6458220cfb747b06e2d4cd [0,1,0,0,0,2|0,0,0]=3 1007 B13R1.15 CNC(=O)CNc1cccc(n1)Br e850eda494fcfc624413abfa69b4cb31 [0,1,0,0,0,2|1,0,0]=4 1008 B13R1.15 CNC(=O)CNc1cccc(n1)C 29d66baf5fd91f0bab5ad3f254ac7ede [0,1,0,0,0,2|1,0,0]=4 1009 B13R1.15 CNC(=O)CNc1cccc(n1)Cl cae21a0b3af91c5dc6fbf880dfdb41ea [0,1,0,0,0,2|1,0,0]=4 1010 B13R1.15 CNC(=O)CNc1cccc(n1)F 19a4303b3de3fa5a5eecac8eb8c4f7d0 [0,1,0,0,0,2|1,0,0]=4 1011 B13R1.15 CNC(=O)CNc1cccc(n1)I cf4705acd9471af9fcd92387bc69b7b8 [0,1,0,0,0,2|1,0,0]=4 1012 B13R1.15 CNC(=O)CNc1ccnc(c1)Br 2c91256110660a1d149a493a8ce0d1c5 [0,1,0,0,0,2|1,0,0]=4 1013 B13R1.15 CNC(=O)CNc1ccnc(c1)C d90d8e97febcfeaa06888670a465a4db [0,1,0,0,0,2|1,0,0]=4 1014 B13R1.15 CNC(=O)CNc1ccnc(c1)Cl 58b6ae937b31f83ee36ad18dcdc512f8 [0,1,0,0,0,2|1,0,0]=4 1015 B13R1.15 CNC(=O)CNc1ccnc(c1)F 7885ed5e7e6f26c10c7141271be3dd51 [0,1,0,0,0,2|1,0,0]=4 1016 B13R1.15 CNC(=O)CNc1ccnc(c1)I 9208ee4a3a9f2571ca5b9834b71efb00 [0,1,0,0,0,2|1,0,0]=4 1017 B13R1.15 CNC(=O)CNc1cncc(c1)Br d30108f5c63b0ef1c225f027a430bda4 [0,1,0,0,0,2|1,0,0]=4 1018 B13R1.15 CNC(=O)CNc1cncc(c1)C 6a48caf3a411dfca2f9dc6df196872e0 [0,1,0,0,0,2|1,0,0]=4 1019 B13R1.15 CNC(=O)CNc1cncc(c1)Cl 8b1b5963c493a82d14fd6899b29ff3e3 [0,1,0,0,0,2|1,0,0]=4 1020 B13R1.15 CNC(=O)CNc1cncc(c1)F e3e768d471672bf5d3462b091ad88b88 [0,1,0,0,0,2|1,0,0]=4 1021 B13R1.15 CNC(=O)CNc1cncc(c1)I b6aa92a2b214f3f0232c416d0ffc0927 [0,1,0,0,0,2|1,0,0]=4 1022 B13R1.15 CNC(=O)COc1cc(ccn1)Br cf1e89ca258b68f73061a4994b0868e9 [0,1,0,0,0,2|1,0,0]=4 1023 B13R1.15 CNC(=O)COc1cc(ccn1)C d735e37dc8f00aeb861a27b7ca75ac31 [0,1,0,0,0,2|1,0,0]=4 1024 B13R1.15 CNC(=O)COc1cc(ccn1)Cl 5b26078540ff61a5ca66a2d09c5e3a35 [0,1,0,0,0,2|1,0,0]=4 1025 B13R1.15 CNC(=O)COc1cc(ccn1)F 8ff2a3afe1c6a9cf5cc5675623cc97a1 [0,1,0,0,0,2|1,0,0]=4 1026 B13R1.15 CNC(=O)COc1ccc[n+](c1)[O-] d16cea8565c75c063ce924df6581e6ec [0,1,0,0,0,2|1,0,0]=4 1027 B13R1.15 CNC(=O)COc1cccc(=O)[nH]1 5cba31ae4bea83afb09c46da7d8c9b70 [0,1,0,0,0,2|1,0,0]=4 1028 B13R1.15 CNC(=O)COc1cccc(c1)Br a33e697df7501cd1b1b104bef37f9d8f [0,1,0,0,0,2|0,0,0]=3 1029 B13R1.15 CNC(=O)COc1cccc(c1)C ffe0aca3100e4f72c76b718f5f4d8457 [0,1,0,0,0,2|0,0,0]=3 1030 B13R1.15 CNC(=O)COc1cccc(c1)Cl 3e4d2e5dfe11622ef8bca0e1a228d294 [0,1,0,0,0,2|0,0,0]=3 1031 B13R1.15 CNC(=O)COc1cccc(c1)F d1c180babf22307c35179c6a22f993fa [0,1,0,0,0,2|0,0,0]=3 1032 B13R1.15 CNC(=O)COc1cccc(c1)I 1aad29d456cf6f1a904388c2f6c5bcda [0,1,0,0,0,2|0,0,0]=3 1033 B13R1.15 CNC(=O)COc1cccc(c1)S 2e366d8c03bd6adc6d3a46750882e9f7 [0,1,0,0,0,2|0,0,0]=3 1034 B13R1.15 CNC(=O)COc1cccc(n1)Br 247df0ff0e07151a6c5cf6ef51c18de7 [0,1,0,0,0,2|1,0,0]=4 1035 B13R1.15 CNC(=O)COc1cccc(n1)C 21a3b3259d77a9f6956a0ae9f104f17d [0,1,0,0,0,2|1,0,0]=4 1036 B13R1.15 CNC(=O)COc1cccc(n1)F 401d76e5807abec32348e86de1779d24 [0,1,0,0,0,2|1,0,0]=4 1037 B13R1.15 CNC(=O)COc1ccnc(c1)Br 9e65433914b3097591510c49a0daeab8 [0,1,0,0,0,2|1,0,0]=4 1038 B13R1.15 CNC(=O)COc1ccnc(c1)C 97697a8c375b368bd0506c4d7dae9e96 [0,1,0,0,0,2|1,0,0]=4 1039 B13R1.15 CNC(=O)COc1ccnc(c1)Cl 61f559aa288773a9b9f32c208392a1a5 [0,1,0,0,0,2|1,0,0]=4 1040 B13R1.15 CNC(=O)COc1ccnc(c1)F 3721a7dc51e35e134fac898e94f69a4d [0,1,0,0,0,2|1,0,0]=4 1041 B13R1.15 CNC(=O)COc1cncc(c1)Br 03e6f5cbb7c9ff651db728a99d1ebd44 [0,1,0,0,0,2|1,0,0]=4 1042 B13R1.15 CNC(=O)COc1cncc(c1)C f24d6a1ee2097473c108ba2466b25e24 [0,1,0,0,0,2|1,0,0]=4 1043 B13R1.15 CNC(=O)COc1cncc(c1)Cl 429572f2e28ff90138e2d42012db7ca4 [0,1,0,0,0,2|1,0,0]=4 1044 B13R1.15 CNC(=O)COc1cncc(c1)F b33f54e081c8f5243f0db47665ef7022 [0,1,0,0,0,2|1,0,0]=4 1045 B13R1.15 CNC(=O)COc1cncc(c1)I 234ca748c07c44d6a81fa771e1148589 [0,1,0,0,0,2|1,0,0]=4 1046 B13R1.15 COC(=O)CNc1cccc(c1)Br 84ecf38904047c0e1176b96469c688cc [0,1,0,0,0,2|1,0,0]=4 1047 B13R1.15 COC(=O)CNc1cccc(c1)C 672b3daa0c21b29899d90d673a40d4b1 [0,1,0,0,0,2|1,0,0]=4 1048 B13R1.15 COC(=O)CNc1cccc(c1)Cl 3c7e606696b1264944ef6e3d7a267264 [0,1,0,0,0,2|1,0,0]=4 1049 B13R1.15 COC(=O)CNc1cccc(c1)F a9e6b0dd9d6653ff4d19bae67c7e43d7 [0,1,0,0,0,2|1,0,0]=4 1050 B13R1.15 COC(=O)CNc1cccc(c1)I b788d84f3522ca042900ee9b36ac7491 [0,1,0,0,0,2|1,0,0]=4 1051 B13R1.15 COC(=O)CNc1cccc(c1)S 634067c3602c00e52ccf498b87fd46fb [0,1,0,0,0,2|1,0,0]=4 1052 B13R1.15 COC(=O)COc1cccc(c1)Br cd5cffaf7d366702ff17a6596b19e564 [0,1,0,0,0,2|1,0,0]=4 1053 B13R1.15 COC(=O)COc1cccc(c1)C ef3640e558136542744afa0f659a4251 [0,1,0,0,0,2|1,0,0]=4 1054 B13R1.15 COC(=O)COc1cccc(c1)Cl 9476feed916b7d532d7765717f2494a9 [0,1,0,0,0,2|1,0,0]=4 1055 B13R1.15 COC(=O)COc1cccc(c1)F 66bbef94400242c310ebfaaeb76f4bd0 [0,1,0,0,0,2|1,0,0]=4 1056 B13R1.15 COC(=O)COc1cccc(c1)I fe7c31c80d9c65f1bef8d3bf9c605711 [0,1,0,0,0,2|1,0,0]=4 1057 B13R1.15 COC(=O)COc1cccc(c1)S e6b4a88a3beea3e4f733929a70bced07 [0,1,0,0,0,2|1,0,0]=4 1058 B13R1.15 Cc1cccc(c1)NCC(=O)NO bec19ede7323b8d2cddb4cfbe1e36d8d [0,1,0,0,0,2|1,0,0]=4 1059 B13R1.15 O=C(CNc1cccc(c1)F)NO fe4a07d2cb0267d12c13d89152b7355e [0,1,0,0,0,2|1,0,0]=4 1060 B13R1.15 O=C(CNc1cccc(c1)O)NO f435721830c8330813db07f0e9fd0b97 [0,1,0,0,0,2|1,0,0]=4 1061 B13R1.42 C/C=C/C(=O)NCc1ccccc1 4d51e0361b05c8ca152e6c21845fe5c1 [0,1,0,0,0,2|1,0,0]=4 1062 B13R1.42 CC#CC(=O)NCc1ccccc1 3a2543aca318f021ce4f601210348f45 [0,1,0,0,0,2|1,0,0]=4 1063 B13R1.42 CCCC(=O)CNc1ccccc1 14fa6bc2c7e381d92dd1277d63e2ce6c [0,1,0,0,0,2|1,0,0]=4 1064 B13R1.42 CCCC(=O)NCc1ccccc1 7e7d5868199d05b9cf94b697a0fc3061 [0,1,0,0,0,2|1,0,0]=4 1065 B13R1.42 CCNC(=O)CNc1ccccc1 8055d2d0a5063aadeda81eb99b5d6af9 [0,1,0,0,0,2|0,0,0]=3 1066 B13R1.42 CCNC(=O)CNc1ccccn1 92af30baef4429bd73ff2839a4a82c05 [0,1,0,0,0,2|1,0,0]=4 1067 B13R1.42 CCNC(=O)CNc1cccnc1 03c1a63f0ff9beb6887806d31083648f [0,1,0,0,0,2|1,0,0]=4 1068 B13R1.42 CCNC(=O)CNc1ccncc1 6a31531a75093ff9ffd61c7a11a854d5 [0,1,0,0,0,2|1,0,0]=4 1069 B13R1.42 CCNC(=O)COc1ccccn1 3721a7671c12cb8c2b3a952ff37c46bb [0,1,0,0,0,2|1,0,0]=4 1070 B13R1.42 CCNC(=O)COc1cccnc1 533e4eb5fa3ab0fca997e98b68e7785d [0,1,0,0,0,2|1,0,0]=4 1071 B13R1.42 CCNC(=O)COc1ccncc1 ed525f270a4546db5fb3dea679e82e3a [0,1,0,0,0,2|1,0,0]=4 1072 B13R1.42 CCOC(=O)CNc1ccccc1 1bd6e48036c658554ed5b87b8e474fa3 [0,1,0,0,0,2|1,0,0]=4 1073 B13R1.42 COCC(=O)NCc1ccccc1 2f405841dd09e5c56cbdd9df2a38947c [0,1,0,0,0,2|1,0,0]=4 1074 B13R1.42 CSCC(=O)NCc1ccccc1 3b04c129830e7a1737870533fb1c85ec [0,1,0,0,0,2|1,0,0]=4 1075 B13R1.42 N#CNC(=O)/C=C/c1ccccc1 6fbce8736892bf06d6c3b5fd34773943 [0,1,0,0,0,2|0,0,1]=4 1076 B13R1.42 N#CNC(=O)C=Cc1ccccc1 6c1a59f39aadd13c6af7ccc4778a0032 [0,1,0,0,0,2|0,0,1]=4 1077 B13R1.42 N#CNC(=O)COc1ccccc1 a945b6b3b1be129c0bb92fd2026e8a24 [0,1,0,0,0,2|0,0,1]=4 1078 B13R1.42 N#CNC(=O)NCc1ccccc1 d751626b09db585757c69f83f59dab0b [0,1,0,0,0,2|0,0,1]=4 1079 B13R1.42 O=C(CCF)NCc1ccccc1 b14b4f9040056e735209976f9a2ac49b [0,1,0,0,0,2|1,0,0]=4 1080 B13R1.42 O=C(CCO)NCc1ccccc1 27a1c0b9698c7e5fda04cf2e43fba5be [0,1,0,0,0,2|1,0,0]=4 1081 B13R1.42 O=C(CCS)NCc1ccccc1 6f21021f4866b5a3af129d7101989e30 [0,1,0,0,0,2|1,0,0]=4 1082 B13R1.42 O=C(CNc1ccccc1)NCO 7635fcd830012a43d6bb568b1daf7513 [0,1,0,0,0,2|0,0,0]=3 1083 B13R1.42 O=C(CNc1ccccn1)NCO 076f2e02c181ef8b6e9f8a3ffc09717d [0,1,0,0,0,2|1,0,0]=4 1084 B13R1.42 O=C(CNc1cccnc1)NCO 6f98229dd62ee3c41dbbef53765351fb [0,1,0,0,0,2|1,0,0]=4 1085 B13R1.42 O=C(CNc1ccncc1)NCO 6d4460e44d3407696bf8d3b00aca817a [0,1,0,0,0,2|1,0,0]=4 1086 B13R1.135 CCC(=O)C(C)Nc1ccccc1 736900206cad0918c601486627fc05e0 [0,1,0,0,0,2|1,0,0]=4 1087 B13R1.135 CCC(=O)N(C)Cc1ccccc1 8b4d49587793e7aebab5e3e3464a08de [0,1,0,0,0,2|1,0,0]=4 1088 B13R1.135 CNC(=O)C(=O)Nc1ccccn1 12c7a73c12c16e431b5370b4c3714c15 [0,1,0,0,0,2|1,0,0]=4 1089 B13R1.135 CNC(=O)C(=O)Nc1cccnc1 7bbbbfc6570ebc4c9e5848d493b9ee9a [0,1,0,0,0,2|1,0,0]=4 1090 B13R1.135 CNC(=O)C(=O)Nc1ccncc1 c8889c99052321d3f59cfabd029e8d98 [0,1,0,0,0,2|1,0,0]=4 1091 B13R1.135 CNC(=O)C(C)Nc1ccccc1 4de166c801e40f8dc86b34a6349f43e4 [0,1,0,0,0,2|0,0,0]=3 1092 B13R1.135 CNC(=O)C(C)Nc1ccccn1 c2757e22c996b85645ec889303b74e33 [0,1,0,0,0,2|1,0,0]=4 1093 B13R1.135 CNC(=O)C(C)Nc1cccnc1 d9c823f430299f2d78aad3c8b28558ef [0,1,0,0,0,2|1,0,0]=4 1094 B13R1.135 CNC(=O)C(C)Nc1ccncc1 1bdb333cb683b90b75cfc75152c58756 [0,1,0,0,0,2|1,0,0]=4 1095 B13R1.135 CNC(=O)C(F)Nc1cccnc1 4ac80d5a2f93f17a3a23ff94f5aa15c7 [0,1,0,0,0,2|1,0,0]=4 1096 B13R1.135 CNC(=O)C(F)Nc1ccncc1 cc706e33f57faef711992b6d03bbd1b9 [0,1,0,0,0,2|1,0,0]=4 1097 B13R1.135 CNC(=O)C(F)Oc1cccnc1 0247f57e6bf0ab0218ad202f1f743c4e [0,1,0,0,0,2|1,0,0]=4 1098 B13R1.135 CNC(=O)C(F)Oc1ccncc1 84003917acde06992a4dfe6abda393ad [0,1,0,0,0,2|1,0,0]=4 1099 B13R1.254 CNS(=O)(=O)CNc1ccccc1 01210a7133ba05e86480e1c5acc6593b [0,1,0,0,0,2|1,0,0]=4 1100 B13R1.351 C=C(C)C(=O)NCc1ccccc1 b8731b63880bf5bfc0bcc9801eda0e33 [0,1,0,0,0,2|1,0,0]=4 1101 B13R1.351 CC(=O)C(=O)CNc1ccccc1 a557dbf15552f28c8608d8ae1611291c [0,1,0,0,0,2|1,0,0]=4 1102 B13R1.351 CC(=O)C(=O)NCc1ccccc1 e323da8c9c2e7dbf674b276ccc4bba78 [0,1,0,0,0,2|1,0,0]=4 1103 B13R1.351 CC(C)C(=O)CNc1ccccc1 9ae4dd4e4f3cd54ccccfb10bfcd43d23 [0,1,0,0,0,2|1,0,0]=4 1104 B13R1.351 CC(F)C(=O)NCc1ccccc1 bffc7100d7e503c7b7b06e6d88883b73 [0,1,0,0,0,2|1,0,0]=4 1105 B13R1.351 CC(O)C(=O)NCc1ccccc1 ea64b32e6bfd0f8a082d2968e7b3fc9c [0,1,0,0,0,2|1,0,0]=4 1106 B13R1.351 CC(S)C(=O)NCc1ccccc1 9f8bbd9361108737161ac8ed57cac69e [0,1,0,0,0,2|1,0,0]=4 1107 B13R1.351 CN(C)C(=O)CNc1ccccc1 fd1874e80fd26a574a49d24a9ca23728 [0,1,0,0,0,2|0,0,0]=3 1108 B13R1.351 CN(C)C(=O)CNc1ccccn1 d33c0d53b04af8205ca91c5b8211eb3d [0,1,0,0,0,2|1,0,0]=4 1109 B13R1.351 CN(C)C(=O)CNc1cccnc1 2a1925898ac958de024bc253c83c1947 [0,1,0,0,0,2|1,0,0]=4 1110 B13R1.351 CN(C)C(=O)CNc1ccncc1 7494077828d2d3859a7e7981a8f68d04 [0,1,0,0,0,2|1,0,0]=4 1111 B13R1.351 CN(C)C(=O)COc1ccccn1 20bbd3d2cc035b7152d026fdd8b52340 [0,1,0,0,0,2|1,0,0]=4 1112 B13R1.351 CN(C)C(=O)COc1cccnc1 f1fe77f09fd5475c439d3deeadbba91a [0,1,0,0,0,2|1,0,0]=4 1113 B13R1.351 CN(C)C(=O)COc1ccncc1 85e63464406814239b913067f2c69030 [0,1,0,0,0,2|1,0,0]=4 1114 B13R1.351 C[C@@H](F)C(=O)NCc1ccccc1 9c08c20355c6c5c6db152742fdf95ac9 [0,1,0,0,0,2|1,0,0]=4 1115 B13R1.351 C[C@@H](O)C(=O)NCc1ccccc1 e20615f745e42e5e54f78abf349a946d [0,1,0,0,0,2|1,0,0]=4 1116 B13R1.351 C[C@H](F)C(=O)NCc1ccccc1 8a16dadee66e89070f45ffc182451614 [0,1,0,0,0,2|1,0,0]=4 1117 B13R1.351 C[C@H](O)C(=O)NCc1ccccc1 ad85d6cb49b662baf7119c8d6bc9f12a [0,1,0,0,0,2|1,0,0]=4 1118 B13R1.528 CCC(=O)CNc1ccccc1Br 8fbfb896c860b7837748960568cf0b8f [0,1,0,0,0,2|1,0,0]=4 1119 B13R1.528 CCC(=O)CNc1ccccc1C 2bf1499ce394e2faba1fbde86ae8c252 [0,1,0,0,0,2|1,0,0]=4 1120 B13R1.528 CCC(=O)CNc1ccccc1Cl 2f1c57a4f9ecd13bf1e2741ae3e1755c [0,1,0,0,0,2|1,0,0]=4 1121 B13R1.528 CCC(=O)CNc1ccccc1F 1bbae39b0ab8ad5bebe977f483af6e65 [0,1,0,0,0,2|1,0,0]=4 1122 B13R1.528 CCC(=O)CNc1ccccc1I dee108818efa13a7d4fe8771b4c8a240 [0,1,0,0,0,2|1,0,0]=4 1123 B13R1.528 CCC(=O)COc1ccccc1Br db06ed382c9760266c1816da5fc7dcfe [0,1,0,0,0,2|1,0,0]=4 1124 B13R1.528 CCC(=O)COc1ccccc1C 32581b57d18d0d26fc3e7721afd29bb7 [0,1,0,0,0,2|1,0,0]=4 1125 B13R1.528 CCC(=O)COc1ccccc1Cl c8fe7472580d2b8774fd3e8af0d9b48a [0,1,0,0,0,2|1,0,0]=4 1126 B13R1.528 CCC(=O)COc1ccccc1F fe396e8ad5fdb48daf0c324c589ab649 [0,1,0,0,0,2|1,0,0]=4 1127 B13R1.528 CCC(=O)COc1ccccc1I 0d2c5b708178b84752c3a9d736094886 [0,1,0,0,0,2|1,0,0]=4 1128 B13R1.528 CCC(=O)COc1ccccc1S bbd3e093b635a77a0361c0d5fa1c0163 [0,1,0,0,0,2|1,0,0]=4 1129 B13R1.528 CCC(=O)NCc1ccccc1Br eccc183fc5ed544269cbf2e3b26264ed [0,1,0,0,0,2|1,0,0]=4 1130 B13R1.528 CCC(=O)NCc1ccccc1C 52ba57a56527725781eec886efb2270d [0,1,0,0,0,2|1,0,0]=4 1131 B13R1.528 CCC(=O)NCc1ccccc1Cl 8df3aaa4234c7aa1ecf42f3e21fe892c [0,1,0,0,0,2|1,0,0]=4 1132 B13R1.528 CCC(=O)NCc1ccccc1F 7c65e9aa3dea63d79aa299924124f4b6 [0,1,0,0,0,2|1,0,0]=4 1133 B13R1.528 CCC(=O)NCc1ccccc1I 3c759f3477ce0a02ead9ae4a2eb5718a [0,1,0,0,0,2|1,0,0]=4 1134 B13R1.528 CCC(=O)NCc1ccccc1O 87a5ae8b68125340bee88274aa55b422 [0,1,0,0,0,2|1,0,0]=4 1135 B13R1.528 CNC(=O)CNc1c[nH]ccc1=O 963381763bd53ccd9822a8fa88ac3736 [0,1,0,0,0,2|1,0,0]=4 1136 B13R1.528 CNC(=O)CNc1c[nH]ccc1=S 9e31b73609b51d9d7c816da67bba3a60 [0,1,0,0,0,2|1,0,0]=4 1137 B13R1.528 CNC(=O)CNc1ccc[nH]c1=O 922c635165599c1dd330c192894b3f1d [0,1,0,0,0,2|1,0,0]=4 1138 B13R1.528 CNC(=O)CNc1ccc[nH]c1=S 48826e0dc750f16a3dcae6372be0037c [0,1,0,0,0,2|1,0,0]=4 1139 B13R1.528 CNC(=O)CNc1cccc[n+]1[O-] fea78e4f320c89ee2588557d9a181dfd [0,1,0,0,0,2|1,0,0]=4 1140 B13R1.528 CNC(=O)CNc1ccccc1Br 57b3967fee3f08ad8219dd2fbbf77131 [0,1,0,0,0,2|0,0,0]=3 1141 B13R1.528 CNC(=O)CNc1ccccc1C d534e5f13b752b11abbd1b59cbdbfe92 [0,1,0,0,0,2|0,0,0]=3 1142 B13R1.528 CNC(=O)CNc1ccccc1Cl 0eb284c421806f03fc501ef3885d8057 [0,1,0,0,0,2|0,0,0]=3 1143 B13R1.528 CNC(=O)CNc1ccccc1F 6ad0c4437693e6eaf1a7a50dd1f2212d [0,1,0,0,0,2|0,0,0]=3 1144 B13R1.528 CNC(=O)CNc1ccccc1I ca2c7a15d1a484c11f632d73c9422819 [0,1,0,0,0,2|0,0,0]=3 1145 B13R1.528 CNC(=O)CNc1ccccc1S 33af0a3b1664f8206e99512e1ddab5a6 [0,1,0,0,0,2|0,0,0]=3 1146 B13R1.528 CNC(=O)CNc1cccnc1Br b0d83ea13985990bc682e3c9cda00b6f [0,1,0,0,0,2|1,0,0]=4 1147 B13R1.528 CNC(=O)CNc1cccnc1C 8ece7b01ec80e6b8d25802de6c18fffd [0,1,0,0,0,2|1,0,0]=4 1148 B13R1.528 CNC(=O)CNc1cccnc1Cl 9eb14c61b2e18ee1f166009df0cc7f0d [0,1,0,0,0,2|1,0,0]=4 1149 B13R1.528 CNC(=O)CNc1cccnc1F 78322dd28b44b2b46562ee505df8d3e8 [0,1,0,0,0,2|1,0,0]=4 1150 B13R1.528 CNC(=O)CNc1cccnc1I 5a9a5001638f51c95e22de953ccc8031 [0,1,0,0,0,2|1,0,0]=4 1151 B13R1.528 CNC(=O)CNc1ccncc1Br 981e6b251636beadaa91af228af529f5 [0,1,0,0,0,2|1,0,0]=4 1152 B13R1.528 CNC(=O)CNc1ccncc1C 3839a44d133c59e7542ca26c3871f652 [0,1,0,0,0,2|1,0,0]=4 1153 B13R1.528 CNC(=O)CNc1ccncc1Cl 889e8e171e581f955a223b999ab8c162 [0,1,0,0,0,2|1,0,0]=4 1154 B13R1.528 CNC(=O)CNc1ccncc1F aa27b586fc5d6f4eadf1af79208fbc54 [0,1,0,0,0,2|1,0,0]=4 1155 B13R1.528 CNC(=O)CNc1ccncc1I 5f31a780b957b2e5362a47c010c2e6d0 [0,1,0,0,0,2|1,0,0]=4 1156 B13R1.528 CNC(=O)CNc1cnccc1Br 59429fcc90e34f60e125bb874cf667ee [0,1,0,0,0,2|1,0,0]=4 1157 B13R1.528 CNC(=O)CNc1cnccc1C c656fbab1d1153a62565fbcbf799f395 [0,1,0,0,0,2|1,0,0]=4 1158 B13R1.528 CNC(=O)CNc1cnccc1Cl 791900cc45ae6123f12d120a0c9c8a6c [0,1,0,0,0,2|1,0,0]=4 1159 B13R1.528 CNC(=O)CNc1cnccc1F d568062659475d0607a84352f2ee6bed [0,1,0,0,0,2|1,0,0]=4 1160 B13R1.528 CNC(=O)CNc1cnccc1I 1c49626040b100bad8a71a83235c7ad6 [0,1,0,0,0,2|1,0,0]=4 1161 B13R1.528 CNC(=O)CNc1ncccc1Br aac60d330b3feabb6784685840695026 [0,1,0,0,0,2|1,0,0]=4 1162 B13R1.528 CNC(=O)CNc1ncccc1C caf7fdb69dd1c9fa6ba09f442810e3ab [0,1,0,0,0,2|1,0,0]=4 1163 B13R1.528 CNC(=O)CNc1ncccc1Cl 0f9bf6196e0b0d04c40364c7a0612883 [0,1,0,0,0,2|1,0,0]=4 1164 B13R1.528 CNC(=O)CNc1ncccc1F c21fb5f1a335e9b9be3ead3fa4028893 [0,1,0,0,0,2|1,0,0]=4 1165 B13R1.528 CNC(=O)CNc1ncccc1I 397ae3adb9052f83da5ecc3315b46ae8 [0,1,0,0,0,2|1,0,0]=4 1166 B13R1.528 CNC(=O)CNc1ncccc1O 5b98e677f8f8a9417b992a599a10a985 [0,1,0,0,0,2|1,0,0]=4 1167 B13R1.528 CNC(=O)COc1ccc[nH]c1=S 53ae4a29a3bd76aa9e6398f235bc15d0 [0,1,0,0,0,2|1,0,0]=4 1168 B13R1.528 CNC(=O)COc1cccc[n+]1[O-] 023c964ed39daff54b6d4246fdc2dc7a [0,1,0,0,0,2|1,0,0]=4 1169 B13R1.528 CNC(=O)COc1ccccc1Br ee51230dfc3b7a00a184630cc02856ee [0,1,0,0,0,2|0,0,0]=3 1170 B13R1.528 CNC(=O)COc1ccccc1C da7aaeae09797e911bf1ba31e7a8e46d [0,1,0,0,0,2|0,0,0]=3 1171 B13R1.528 CNC(=O)COc1ccccc1Cl 803fcd8bce9f3c345a4f90d13e27b4d1 [0,1,0,0,0,2|0,0,0]=3 1172 B13R1.528 CNC(=O)COc1ccccc1F 1f4d87b680515437690d0132f361da13 [0,1,0,0,0,2|0,0,0]=3 1173 B13R1.528 CNC(=O)COc1ccccc1I 9bfbbeeda77d1e8d0238680e42316cb4 [0,1,0,0,0,2|0,0,0]=3 1174 B13R1.528 CNC(=O)COc1ccccc1S f548a54c78a3875c63ed26cd06b5fef1 [0,1,0,0,0,2|0,0,0]=3 1175 B13R1.528 CNC(=O)COc1cccnc1Br a90362e8973529962fc1d7abf8c8396f [0,1,0,0,0,2|1,0,0]=4 1176 B13R1.528 CNC(=O)COc1cccnc1C 263d72ab2b239c8d4355ee7aba0614f6 [0,1,0,0,0,2|1,0,0]=4 1177 B13R1.528 CNC(=O)COc1cccnc1Cl 3fde02b5f1f50bccdbb0f67aeb4d5eb0 [0,1,0,0,0,2|1,0,0]=4 1178 B13R1.528 CNC(=O)COc1cccnc1F 52e61ca9997476dee3bb64d849927060 [0,1,0,0,0,2|1,0,0]=4 1179 B13R1.528 CNC(=O)COc1cccnc1I 07662b90513a1fe2ff4bac003f877b5e [0,1,0,0,0,2|1,0,0]=4 1180 B13R1.528 CNC(=O)COc1cccoc1=O 9956cfa4605fbb2f4d0f52f40b074347 [0,1,0,0,0,2|1,0,0]=4 1181 B13R1.528 CNC(=O)COc1ccncc1Br 5f1814e37d1dcd2eabf10ca520c0b70f [0,1,0,0,0,2|1,0,0]=4 1182 B13R1.528 CNC(=O)COc1ccncc1C d08efabb4b588e5cd884e730fabbabc7 [0,1,0,0,0,2|1,0,0]=4 1183 B13R1.528 CNC(=O)COc1ccncc1Cl cbfd97387f462307bec4751c396cc7d9 [0,1,0,0,0,2|1,0,0]=4 1184 B13R1.528 CNC(=O)COc1ccncc1F ce5db83bfe89cee742a603dbdd56f9a0 [0,1,0,0,0,2|1,0,0]=4 1185 B13R1.528 CNC(=O)COc1cnccc1Br b7b1d5278fadc8f1d36d4f8f7a825870 [0,1,0,0,0,2|1,0,0]=4 1186 B13R1.528 CNC(=O)COc1cnccc1C 60096219c7e6dc93e6b802abbc2774db [0,1,0,0,0,2|1,0,0]=4 1187 B13R1.528 CNC(=O)COc1cnccc1Cl 0b7f0df0b5849d600a1728e5d53c856b [0,1,0,0,0,2|1,0,0]=4 1188 B13R1.528 CNC(=O)COc1cnccc1F 9df8dc779b227a79f2a6c4f0c6325773 [0,1,0,0,0,2|1,0,0]=4 1189 B13R1.528 CNC(=O)COc1cnccc1I 47631f95e0bce9f3b244976a1735d494 [0,1,0,0,0,2|1,0,0]=4 1190 B13R1.528 CNC(=O)COc1coccc1=O 5eff8d6bedbed7540c836651cda4ac69 [0,1,0,0,0,2|1,0,0]=4 1191 B13R1.528 CNC(=O)COc1ncccc1Br 9092ff292e5cf39d4c5b92055b4404eb [0,1,0,0,0,2|1,0,0]=4 1192 B13R1.528 CNC(=O)COc1ncccc1C 9aab8db332cd0af8267d2344ff5149bc [0,1,0,0,0,2|1,0,0]=4 1193 B13R1.528 CNC(=O)COc1ncccc1Cl 1e1b0b23639a9834b7ae9506284a00ea [0,1,0,0,0,2|1,0,0]=4 1194 B13R1.528 CNC(=O)COc1ncccc1F b4b3d16dd73a8d77f4361050306fbc6e [0,1,0,0,0,2|1,0,0]=4 1195 B13R1.528 CNC(=O)COn1ccccc1=N d9b161efc7a1e50828b96ace9a19b0b8 [0,1,0,0,0,2|1,0,0]=4 1196 B13R1.528 CNC(=O)COn1ccccc1=O 1e78e4e09f63714c729ad00412ef6823 [0,1,0,0,0,2|1,0,0]=4 1197 B13R1.528 CNC(=O)COn1ccccc1=S 92f276b651b983fe9253a927ad2c79c2 [0,1,0,0,0,2|1,0,0]=4 1198 B13R1.528 COC(=O)CNc1ccccc1Br ae4b317d1c94daca2d4df78f2e02cd25 [0,1,0,0,0,2|1,0,0]=4 1199 B13R1.528 COC(=O)CNc1ccccc1C 58c65867ac2e1abef701b84e9e0b50de [0,1,0,0,0,2|1,0,0]=4 1200 B13R1.528 COC(=O)CNc1ccccc1Cl c6114844e257f3bde7ff129f9bba4bb0 [0,1,0,0,0,2|1,0,0]=4 1201 B13R1.528 COC(=O)CNc1ccccc1F cd501c926a022a3593289fed5e0717e1 [0,1,0,0,0,2|1,0,0]=4 1202 B13R1.528 COC(=O)CNc1ccccc1I 1e3125778b41bd3a9cf102ded7ea679f [0,1,0,0,0,2|1,0,0]=4 1203 B13R1.528 COC(=O)COc1ccccc1Br 891bcb2d8c372fd7e448b8c8e2b847f5 [0,1,0,0,0,2|1,0,0]=4 1204 B13R1.528 COC(=O)COc1ccccc1C 3949644019c62c2beac3ff439ca9df2b [0,1,0,0,0,2|1,0,0]=4 1205 B13R1.528 COC(=O)COc1ccccc1Cl 93517fcfd38fe7570e6029e831056512 [0,1,0,0,0,2|1,0,0]=4 1206 B13R1.528 COC(=O)COc1ccccc1F 212241f0a2a2592a867ef0cf42c26727 [0,1,0,0,0,2|1,0,0]=4 1207 B13R1.528 COC(=O)COc1ccccc1I 0c8319c7cbc24f4a6fdb703ea7b6e69f [0,1,0,0,0,2|1,0,0]=4 1208 B13R1.528 COC(=O)COc1ccccc1S b34352a1af048b7696f9a13d71d0b6c1 [0,1,0,0,0,2|1,0,0]=4 1209 B13R1.528 Cc1ccccc1NCC(=O)NO d217e23cf379c363eec318e95e53ad42 [0,1,0,0,0,2|1,0,0]=4 1210 B13R1.528 O=C(CNc1ccccc1F)NO 3e7d974c76d4e7417659c9068f4afef2 [0,1,0,0,0,2|1,0,0]=4 1211 B13R1.527 CCC(=O)Nc1cccccc1=O 25f020fe54293e454ba0194b08a9e3e2 [0,1,0,0,0,2|1,0,0]=4 1212 B13R1.1464 N#CNC(=O)/C/1=C/C=C\C=C/C=C1 032d281327ad1b5dfaf5c02e14805afa [0,1,0,0,0,2|0,0,1]=4 1213 B13R1.19 C/C=C/C(=O)Nc1ccc(cc1)Br b59bfa4b49d7e2447e66a78232439d0d [0,2,0,0,0,1|1,0,0]=4 1214 B13R1.19 C/C=C/C(=O)Nc1ccc(cc1)C 7b8ebbedfc124d797aa79c67575c62b5 [0,2,0,0,0,1|1,0,0]=4 1215 B13R1.19 C/C=C/C(=O)Nc1ccc(cc1)Cl 1a6d92f814dff97654da85e9317bbb3c [0,2,0,0,0,1|1,0,0]=4 1216 B13R1.19 C/C=C/C(=O)Nc1ccc(cc1)F 9b471d2f0e110fce87d4457df7e14785 [0,2,0,0,0,1|1,0,0]=4 1217 B13R1.19 C/C=C/C(=O)Nc1ccc(cc1)I ff8e4af32660ae7aef9c96ca3ded6e25 [0,2,0,0,0,1|1,0,0]=4 1218 B13R1.19 C/C=C/C(=O)Nc1ccc(cc1)O 2760ddb61688c4f60dbf9cb8741fe135 [0,2,0,0,0,1|1,0,0]=4 1219 B13R1.19 C/C=C/C(=O)Nc1ccc(cc1)S 271cc7d4cf7482af064f67ff3592a21c [0,2,0,0,0,1|1,0,0]=4 1220 B13R1.19 CC#CC(=O)Nc1ccc(cc1)C 77494eba6fbf7cdeae7697173c8d9760 [0,2,0,0,0,1|1,0,0]=4 1221 B13R1.19 CC#CC(=O)Nc1ccc(cc1)F 343955c71cad572f8308b52fca135f6d [0,2,0,0,0,1|1,0,0]=4 1222 B13R1.19 CC#CC(=O)Nc1ccc(cc1)I bfae403f45d058fecfe43caebd430d94 [0,2,0,0,0,1|1,0,0]=4 1223 B13R1.19 CC#CC(=O)Nc1ccc(cc1)S 836a9f22ad72d97c984f08258f5456fc [0,2,0,0,0,1|1,0,0]=4 1224 B13R1.19 CCCC(=O)Nc1ccc(cc1)F d3286d0b4743f6037adc5e48744ad258 [0,2,0,0,0,1|1,0,0]=4 1225 B13R1.19 CCCC(=O)Nc1ccc(cc1)S c64114555603ea72fd53c4c700643d1c [0,2,0,0,0,1|1,0,0]=4 1226 B13R1.19 COCC(=O)Nc1ccc(cc1)C 6cf5093a5f49662b8685294c39accb51 [0,2,0,0,0,1|1,0,0]=4 1227 B13R1.19 COCC(=O)Nc1ccc(cc1)F 828455131b25303ba9140ad52a82050c [0,2,0,0,0,1|1,0,0]=4 1228 B13R1.19 COCC(=O)Nc1ccc(cc1)S 478b228f0313001e55a181cc06e906db [0,2,0,0,0,1|1,0,0]=4 1229 B13R1.19 CSCC(=O)Nc1ccc(cc1)S 1e22ef5cc0d8acfdfc79e1ee56b8659f [0,2,0,0,0,1|1,0,0]=4 1230 B13R1.19 Cc1ccc(cc1)CC(=O)NC#N da91234aa9fb6bc04bd652e027b91959 [0,2,0,0,0,1|0,0,1]=4 1231 B13R1.19 Cc1ccc(cc1)NC(=O)CCF ab68a7247dc78bcee70d623b01735f76 [0,2,0,0,0,1|1,0,0]=4 1232 B13R1.19 Cc1ccc(cc1)NC(=O)CCS c50028e46ef4e318a5488bedb8b89f06 [0,2,0,0,0,1|1,0,0]=4 1233 B13R1.19 N#CNC(=O)Cc1ccc(cc1)Br 4bbcd05d3d0a4171c3cc4b0b910df010 [0,2,0,0,0,1|0,0,1]=4 1234 B13R1.19 N#CNC(=O)Cc1ccc(cc1)Cl c609e9956804335c16dac2bdb0cab0f0 [0,2,0,0,0,1|0,0,1]=4 1235 B13R1.19 N#CNC(=O)Cc1ccc(cc1)F ccdab90d701c6129314824788d02de9e [0,2,0,0,0,1|0,0,1]=4 1236 B13R1.19 N#CNC(=O)Cc1ccc(cc1)I b64e46d8573e62ef0c24dc23bb29c384 [0,2,0,0,0,1|0,0,1]=4 1237 B13R1.19 N#CNC(=O)Cc1ccc(cc1)O 23154e59b3b2cedd480b4dceecdbf12f [0,2,0,0,0,1|0,0,1]=4 1238 B13R1.19 N#CNC(=O)Cc1ccc(cc1)S 2aef92a63af28f5e07f96c9b03e38d79 [0,2,0,0,0,1|0,0,1]=4 1239 B13R1.19 O=C(CCF)Nc1ccc(cc1)F 14149004807788e823410ec79bd21b23 [0,2,0,0,0,1|1,0,0]=4 1240 B13R1.19 O=C(CCF)Nc1ccc(cc1)I 45bfbc1e8163acf88ee1b840a5ef997d [0,2,0,0,0,1|1,0,0]=4 1241 B13R1.19 O=C(CCF)Nc1ccc(cc1)S b0e33efd7d9e8eee726a3a5ab630948f [0,2,0,0,0,1|1,0,0]=4 1242 B13R1.19 O=C(CCO)Nc1ccc(cc1)F 051b51758a65a3bf73b0e881a4bae548 [0,2,0,0,0,1|1,0,0]=4 1243 B13R1.19 O=C(CCO)Nc1ccc(cc1)S 47a36fed5b8d7deeec3bdebdf4af9144 [0,2,0,0,0,1|1,0,0]=4 1244 B13R1.19 O=C(CCS)Nc1ccc(cc1)F 97d6a3389b66fd64127bd64eb5eb5bca [0,2,0,0,0,1|1,0,0]=4 1245 B13R1.19 O=C(CCS)Nc1ccc(cc1)S eb2823f580bda293062899efd3527db2 [0,2,0,0,0,1|1,0,0]=4 1246 B13R1.20 C/C=C/C(=O)Nc1cccc(c1)Br 8a038975c7d8df07abde393b3b4312d5 [0,2,0,0,0,1|1,0,0]=4 1247 B13R1.20 C/C=C/C(=O)Nc1cccc(c1)C 671be6adb33b99cc8e3fc6fe8cce69ac [0,2,0,0,0,1|1,0,0]=4 1248 B13R1.20 C/C=C/C(=O)Nc1cccc(c1)Cl 176a84f4e1dab1777b71893e7cda6880 [0,2,0,0,0,1|1,0,0]=4 1249 B13R1.20 C/C=C/C(=O)Nc1cccc(c1)F 165234348ef58a515e716bfe42607ea4 [0,2,0,0,0,1|1,0,0]=4 1250 B13R1.20 C/C=C/C(=O)Nc1cccc(c1)I 91ec00bb53a99e43334ece76c44e267b [0,2,0,0,0,1|1,0,0]=4 1251 B13R1.20 C/C=C/C(=O)Nc1cccc(c1)O d0c7a416b22ea6b6433d201581b475ae [0,2,0,0,0,1|1,0,0]=4 1252 B13R1.20 C/C=C/C(=O)Nc1cccc(c1)S f2986b8dc0ba5afd427517ba95a30e83 [0,2,0,0,0,1|1,0,0]=4 1253 B13R1.20 CC#CC(=O)Nc1cccc(c1)C 358e943c9f53ca866663777077029647 [0,2,0,0,0,1|1,0,0]=4 1254 B13R1.20 CC#CC(=O)Nc1cccc(c1)F 8af55e1bbedbda9ae0b4cdb637e4aca6 [0,2,0,0,0,1|1,0,0]=4 1255 B13R1.20 CC#CC(=O)Nc1cccc(c1)I e90c7b0dca00b677db5510c7e1f49162 [0,2,0,0,0,1|1,0,0]=4 1256 B13R1.20 CCCC(=O)Nc1cccc(c1)C ec21b0b6c2c655ca342db49fc092728e [0,2,0,0,0,1|1,0,0]=4 1257 B13R1.20 CCCC(=O)Nc1cccc(c1)F acd3be41b85a7358b9ae1f17f2d89c09 [0,2,0,0,0,1|1,0,0]=4 1258 B13R1.20 CCCC(=O)Nc1cccc(c1)I 6d4939023e7373e0fd5bc3ce4525a345 [0,2,0,0,0,1|1,0,0]=4 1259 B13R1.20 COCC(=O)Nc1cccc(c1)C 75c9fc9e7789113b850654649eabb1a9 [0,2,0,0,0,1|1,0,0]=4 1260 B13R1.20 COCC(=O)Nc1cccc(c1)Cl c9e04c5eb947294cddec8112fbfc9482 [0,2,0,0,0,1|1,0,0]=4 1261 B13R1.20 COCC(=O)Nc1cccc(c1)F 9e8ae8c6257228721c51a8ddbe158c73 [0,2,0,0,0,1|1,0,0]=4 1262 B13R1.20 COCC(=O)Nc1cccc(c1)I a70cc5ece58259fe7ef658204a39d91e [0,2,0,0,0,1|1,0,0]=4 1263 B13R1.20 COCC(=O)Nc1cccc(c1)O 1756384e48250d9c2ba5a3e76b41d5d0 [0,2,0,0,0,1|1,0,0]=4 1264 B13R1.20 Cc1cccc(c1)CC(=O)NC#N 3bd5fa234eace5be5df463030b354e4b [0,2,0,0,0,1|0,0,1]=4 1265 B13R1.20 Cc1cccc(c1)NC(=O)CCF 50a06fe83cdf95273d5ea178a415c4cb [0,2,0,0,0,1|1,0,0]=4 1266 B13R1.20 N#CNC(=O)Cc1cccc(c1)Cl b3c1d13435524d8fcf2998ff3e8b89f1 [0,2,0,0,0,1|0,0,1]=4 1267 B13R1.20 N#CNC(=O)Cc1cccc(c1)F 7036f3cf3b4e52cf54ee4cfeb8305a64 [0,2,0,0,0,1|0,0,1]=4 1268 B13R1.20 N#CNC(=O)Cc1cccc(c1)I 4b18b3682de14549c9ddcb2461197ac8 [0,2,0,0,0,1|0,0,1]=4 1269 B13R1.20 N#CNC(=O)Cc1cccc(c1)O 578e637c70666e97810f8aa5be1c4ffa [0,2,0,0,0,1|0,0,1]=4 1270 B13R1.20 O=C(CCF)Nc1cccc(c1)F 056bef95fbe82328d0b41e7b8509307e [0,2,0,0,0,1|1,0,0]=4 1271 B13R1.20 O=C(CCF)Nc1cccc(c1)I fddec80c8bfe9cc7f7bacdf27c1b08d9 [0,2,0,0,0,1|1,0,0]=4 1272 B13R1.20 O=C(CCF)Nc1cccc(c1)O 9401f2d2a32d557a59d4cb0c09f835aa [0,2,0,0,0,1|1,0,0]=4 1273 B13R1.20 O=C(CCO)Nc1cccc(c1)F 76b488e188c3a2b921e94fa8b91c5b27 [0,2,0,0,0,1|1,0,0]=4 1274 B13R1.20 O=C(CCO)Nc1cccc(c1)I ca3a7d6202d2a310917bd12238d11b9c [0,2,0,0,0,1|1,0,0]=4 1275 B13R1.20 O=C(CCS)Nc1cccc(c1)F 7db870fe2726004d6d0a72dd5b626180 [0,2,0,0,0,1|1,0,0]=4 1276 B13R1.20 O=C(CCS)Nc1cccc(c1)I 2e4aec4e46c94b80a0ae8082d23de903 [0,2,0,0,0,1|1,0,0]=4 1277 B13R1.20 O=C(CCS)Nc1cccc(c1)O 36cd07c6903e611e02639f2755d329ef [0,2,0,0,0,1|1,0,0]=4 1278 B13R1.44 C#CCCC(=O)Nc1ccccc1 b7b4fb33e5153a3be2a0e2c2048a95e0 [0,2,0,0,0,1|1,0,0]=4 1279 B13R1.44 C#CCNC(=O)Cc1ccccn1 c08c7070a31efb544f28e2cf2e1d83b2 [0,2,0,0,0,1|1,0,0]=4 1280 B13R1.44 C#CCNC(=O)Cc1cccnc1 52821d1a059b1586c67f26486d5a49f8 [0,2,0,0,0,1|1,0,0]=4 1281 B13R1.44 C#CCNC(=O)Cc1ccncc1 3415e6d3396725fcfdfd8d62ce1f8dab [0,2,0,0,0,1|1,0,0]=4 1282 B13R1.44 C#CCNC(=O)Nc1cccnc1 81c572d34896bb8c5e3e76b3f7842e16 [0,2,0,0,0,1|1,0,0]=4 1283 B13R1.44 C#CCNC(=O)Nc1ccncc1 c510f0354d650544992118036c8891b6 [0,2,0,0,0,1|1,0,0]=4 1284 B13R1.44 C#CCNC(=S)Nc1ccccc1 26339542648d19e35f125495b7dc2106 [0,2,0,0,0,1|0,1,0]=4 1285 B13R1.44 C/C=C/CC(=O)Nc1ccccc1 c69779fe057024aee06d3940b3d21fe1 [0,2,0,0,0,1|1,0,0]=4 1286 B13R1.44 C=CCCC(=O)Nc1ccccc1 dea2af18280fcf2fdf8451c8fd8969b7 [0,2,0,0,0,1|1,0,0]=4 1287 B13R1.44 CC/C=C/C(=O)Nc1ccccc1 0742c8e5730d0005198a3695a58493bc [0,2,0,0,0,1|1,0,0]=4 1288 B13R1.44 CC/C=C\C(=O)Nc1ccccc1 6b23463f352aca59fee78e5fbea50cac [0,2,0,0,0,1|1,0,0]=4 1289 B13R1.44 CCC=CC(=O)Nc1ccccc1 7c12816ca832dd8f1b715821a9b07ebc [0,2,0,0,0,1|1,0,0]=4 1290 B13R1.44 CCCCC(=O)Nc1ccccc1 23ed3b5fa4d849246c442d63dab5c35b [0,2,0,0,0,1|1,0,0]=4 1291 B13R1.44 CCCNC(=O)Cc1ccccn1 636356973687d8cc469c4e38671fa2db [0,2,0,0,0,1|1,0,0]=4 1292 B13R1.44 CCCNC(=O)Cc1cccnc1 f2a557eca5180d26a1ba680474756ff5 [0,2,0,0,0,1|1,0,0]=4 1293 B13R1.44 CCCNC(=O)Cc1ccncc1 aef0a4799b956995277af88167a401f0 [0,2,0,0,0,1|1,0,0]=4 1294 B13R1.44 CCCNC(=O)Nc1ccccn1 7a343167602c35a8edaca663620bc188 [0,2,0,0,0,1|1,0,0]=4 1295 B13R1.44 CCCNC(=O)Nc1cccnc1 a3e2bed1931b38ad3cda0351c794fe18 [0,2,0,0,0,1|1,0,0]=4 1296 B13R1.44 CCCNC(=O)Nc1ccncc1 e449c5b262f96de4940031bf7e603469 [0,2,0,0,0,1|1,0,0]=4 1297 B13R1.44 CCCNC(=S)Nc1ccccc1 7b46746584236187d3022b2131e6725a [0,2,0,0,0,1|0,1,0]=4 1298 B13R1.44 CCNCC(=O)Nc1ccccc1 939092c06464341bb92825b080226ef0 [0,2,0,0,0,1|0,0,0]=3 1299 B13R1.44 CCOCC(=O)Nc1ccccc1 de976fa385c260d338786a3e328d5467 [0,2,0,0,0,1|1,0,0]=4 1300 B13R1.44 CO/C=C/C(=O)Nc1ccccc1 4b4a2c55aece834865a2bb4eacef73d9 [0,2,0,0,0,1|1,0,0]=4 1301 B13R1.44 COC=CC(=O)Nc1ccccc1 9f2cd10b4cd2a466fff26a0c3cff9552 [0,2,0,0,0,1|1,0,0]=4 1302 B13R1.44 FCCNC(=S)Nc1ccccc1 4e4557b0256d44cc62f5313031529037 [0,2,0,0,0,1|0,1,0]=4 1303 B13R1.44 N#CCNC(=O)Cc1ccccn1 9beab941c88639129c88c5bf9e2af75e [0,2,0,0,0,1|1,0,0]=4 1304 B13R1.44 N#CCNC(=O)Cc1cccnc1 7d92d203798142c001a0cabcaf63b6f7 [0,2,0,0,0,1|1,0,0]=4 1305 B13R1.44 N#CCNC(=O)Cc1ccncc1 e991f875376f31d7abc17ab7e93baa7e [0,2,0,0,0,1|1,0,0]=4 1306 B13R1.44 N#CCNC(=O)Nc1cccnc1 1ce70ec805c40705d0549ee4ad44faec [0,2,0,0,0,1|1,0,0]=4 1307 B13R1.44 N#CCNC(=O)Nc1ccncc1 7e7f7f459765859e977557e71b954df4 [0,2,0,0,0,1|1,0,0]=4 1308 B13R1.44 N#CCNC(=S)Nc1ccccc1 aac296f4984d5ce917ee3d20a3f83997 [0,2,0,0,0,1|0,1,0]=4 1309 B13R1.44 N#CNCC(=O)Cc1ccccc1 53049f4e6bc145f3bbc81c22831418cd [0,2,0,0,0,1|0,0,1]=4 1310 B13R1.44 N#CNCC(=O)Nc1ccccc1 54c85fa4eb2ae65804696ab2c5008bf6 [0,2,0,0,0,1|0,0,1]=4 1311 B13R1.44 N#CNCC(=O)Oc1ccccc1 01c891be84586fb052efdd3d72c1cde9 [0,2,0,0,0,1|0,0,1]=4 1312 B13R1.44 NCCNC(=O)Nc1ccccc1 eefbb8ae9e52d3c24a3be995550c38d5 [0,2,0,0,0,1|0,0,0]=3 1313 B13R1.44 NCCNC(=O)Nc1cccnc1 577af16a15975c4303b96ba28a140576 [0,2,0,0,0,1|1,0,0]=4 1314 B13R1.44 NCCNC(=O)Nc1ccncc1 3f64aa36280b42612d40de4f36dab38f [0,2,0,0,0,1|1,0,0]=4 1315 B13R1.44 NCCNC(=S)Nc1ccccc1 0ef94cfcf1b13239834f80c7f06cd17d [0,2,0,0,0,1|0,1,0]=4 1316 B13R1.44 O=C(/C=C/CF)Nc1ccccc1 6a04f4f3ffc40617eb703f8bad14f232 [0,2,0,0,0,1|1,0,0]=4 1317 B13R1.44 O=C(/C=C/CO)Nc1ccccc1 2bdfd1b6ddb89d6fbfd27d4ca7489473 [0,2,0,0,0,1|1,0,0]=4 1318 B13R1.44 O=C(C#CCO)Nc1ccccc1 fa94c7b7392b35446d5e7bdc44e51e95 [0,2,0,0,0,1|1,0,0]=4 1319 B13R1.44 O=C(C=CCO)Nc1ccccc1 370cb638982566387caf03c62ee7ea0c [0,2,0,0,0,1|1,0,0]=4 1320 B13R1.44 O=C(CCCF)Nc1ccccc1 d24914e786e988f7c5e832ddffcd6bbe [0,2,0,0,0,1|1,0,0]=4 1321 B13R1.44 O=C(CCCS)Nc1ccccc1 380b3e7a5178b3695a5f7b5b3962da03 [0,2,0,0,0,1|1,0,0]=4 1322 B13R1.44 O=C(CNCF)Nc1ccccc1 4205dcf0c0c1eb59d2d212f37033b01f [0,2,0,0,0,1|0,0,0]=3 1323 B13R1.44 O=C(CNCO)Nc1ccccc1 bb4601c89e0af5642f554bcbd7add3d4 [0,2,0,0,0,1|0,0,0]=3 1324 B13R1.44 O=C(COCF)Nc1ccccc1 4566087d8ab7109a2150e9998b26d889 [0,2,0,0,0,1|1,0,0]=4 1325 B13R1.44 O=C(Cc1ccccn1)NCCBr 8a271642e375961a84035aeec8c95edd [0,2,0,0,0,1|1,0,0]=4 1326 B13R1.44 O=C(Cc1ccccn1)NCCF 646e0110aaf90ca1b7080004d655cf69 [0,2,0,0,0,1|1,0,0]=4 1327 B13R1.44 O=C(Cc1ccccn1)NCCI a4c8090c90149852f9c77a7f8dbf4d22 [0,2,0,0,0,1|1,0,0]=4 1328 B13R1.44 O=C(Cc1ccccn1)NCCO 549418b45be1ad773acf09fbef792184 [0,2,0,0,0,1|1,0,0]=4 1329 B13R1.44 O=C(Cc1ccccn1)NCCS 18fc700eeeddacbb79869323e7982492 [0,2,0,0,0,1|1,0,0]=4 1330 B13R1.44 O=C(Cc1cccnc1)NCCBr 86c7d6d3deefe2ceaa58f9e0ff4a60bf [0,2,0,0,0,1|1,0,0]=4 1331 B13R1.44 O=C(Cc1cccnc1)NCCF 86a615800923b50aae708ec653ce04c7 [0,2,0,0,0,1|1,0,0]=4 1332 B13R1.44 O=C(Cc1cccnc1)NCCI e60d153efcd874b5cc6e991448032b8a [0,2,0,0,0,1|1,0,0]=4 1333 B13R1.44 O=C(Cc1cccnc1)NCCO ba1d68d8ef8595a1080efa99f07a0c58 [0,2,0,0,0,1|1,0,0]=4 1334 B13R1.44 O=C(Cc1cccnc1)NCCS 32fb0f5a78f20d7d96e7f3df072dbb38 [0,2,0,0,0,1|1,0,0]=4 1335 B13R1.44 O=C(Cc1ccncc1)NCCBr 20940c7d41394048a247546ab280cb91 [0,2,0,0,0,1|1,0,0]=4 1336 B13R1.44 O=C(Cc1ccncc1)NCCF 9d66c4172e1b7d0d4567e09a31275860 [0,2,0,0,0,1|1,0,0]=4 1337 B13R1.44 O=C(Cc1ccncc1)NCCI 9c51b74677f8b6d31bc9579a99f3cd3b [0,2,0,0,0,1|1,0,0]=4 1338 B13R1.44 O=C(Cc1ccncc1)NCCO 5ead1033adefa4c5d1b230ee5aff8bf1 [0,2,0,0,0,1|1,0,0]=4 1339 B13R1.44 O=C(Cc1ccncc1)NCCS a654c052a615deb60583fd561c04519e [0,2,0,0,0,1|1,0,0]=4 1340 B13R1.44 O=C(NCCF)Nc1cccnc1 6cf1db0426bcba993c045ae69642f2c5 [0,2,0,0,0,1|1,0,0]=4 1341 B13R1.44 O=C(NCCF)Nc1ccncc1 fc61e8b64e910eb36f5046427d3a7ee0 [0,2,0,0,0,1|1,0,0]=4 1342 B13R1.44 O=C(NCCO)Nc1cccnc1 8fd5aaefc2acdcce75f37aa4a0977ee2 [0,2,0,0,0,1|1,0,0]=4 1343 B13R1.44 O=C(NCCO)Nc1ccncc1 1b2b45f26a9c4b56ecdbf64738d4b1f1 [0,2,0,0,0,1|1,0,0]=4 1344 B13R1.44 O=C(NCCS)Nc1cccnc1 cca66f06c1344ee0ea667a80c4c94b7b [0,2,0,0,0,1|1,0,0]=4 1345 B13R1.44 O=C(NCCS)Nc1ccncc1 e74e375deec771202e3d46e38ed3a388 [0,2,0,0,0,1|1,0,0]=4 1346 B13R1.44 O=CCCC(=O)Nc1ccccc1 3bc55992ef558ee39f00e83a87615e15 [0,2,0,0,0,1|1,0,0]=4 1347 B13R1.44 O=CNCC(=O)Nc1ccccc1 c6cb735ce806ffa5848c6415ace52ea2 [0,2,0,0,0,1|0,0,1]=4 1348 B13R1.44 OCCNC(=S)Nc1ccccc1 5e79418a69996c964516f970c5c5542b [0,2,0,0,0,1|0,1,0]=4 1349 B13R1.44 S=C(NCCS)Nc1ccccc1 234be4b2c7c50514569aaa435e86f76d [0,2,0,0,0,1|0,1,0]=4 1350 B13R1.47 C/C=C/C(=O)N(C)c1ccccc1 806fbf7be0112a9717114e50decc3461 [0,2,0,0,0,1|1,0,0]=4 1351 B13R1.47 C=C(C(=O)NC#N)c1ccccc1 cb21ed10c347276376e7146a16c4d6e7 [0,2,0,0,0,1|0,0,1]=4 1352 B13R1.47 N#CNC(=O)C(=O)c1ccccc1 4f27b38b3cfc1d7cbd341919a407e6e2 [0,2,0,0,0,1|0,0,1]=4 1353 B13R1.348 C/C(=C/C(=O)Nc1ccccc1)/Cl 71d04c03ab04dce12be82d9cd3e22da7 [0,2,0,0,0,1|1,0,0]=4 1354 B13R1.348 C/C(=C/C(=O)Nc1ccccc1)/I 4d2f20ae9c2ee1d97df7e680bea6faf3 [0,2,0,0,0,1|1,0,0]=4 1355 B13R1.348 C/C(=C\C(=O)Nc1ccccc1)/Cl 379720f3fb5f3e7a2c485365ee89d739 [0,2,0,0,0,1|1,0,0]=4 1356 B13R1.348 CC(=CC(=O)Nc1ccccc1)C 1d0a06923d166ac3f7dad59f4831ae4a [0,2,0,0,0,1|1,0,0]=4 1357 B13R1.348 CC(=CC(=O)Nc1ccccc1)I b10185540f5a9a294d4b6b770d4d2e96 [0,2,0,0,0,1|1,0,0]=4 1358 B13R1.348 CN(C)CC(=O)Nc1ccccn1 d22013092ad7d48835355842cc8a58a6 [0,2,0,0,0,1|1,0,0]=4 1359 B13R1.348 CN(C)CC(=O)Nc1cccnc1 0d09aeb491f276785b82cdb46ffb0a18 [0,2,0,0,0,1|1,0,0]=4 1360 B13R1.470 C/C=C/C(=O)Nc1ccccc1Br db8430355921f3ac572f605bc9750e36 [0,2,0,0,0,1|1,0,0]=4 1361 B13R1.470 C/C=C/C(=O)Nc1ccccc1C e334632c48402ad14a9631e9225f7396 [0,2,0,0,0,1|1,0,0]=4 1362 B13R1.470 C/C=C/C(=O)Nc1ccccc1Cl 2a71b9ee1afaaeb108867839dec9b680 [0,2,0,0,0,1|1,0,0]=4 1363 B13R1.470 C/C=C/C(=O)Nc1ccccc1F 2f52e677b46beec3309c1d8e48c0f61b [0,2,0,0,0,1|1,0,0]=4 1364 B13R1.470 C/C=C/C(=O)Nc1ccccc1I 9556c18604688f0df6d6a5dceff1e479 [0,2,0,0,0,1|1,0,0]=4 1365 B13R1.470 C/C=C/C(=O)Nc1ccccc1O 340ff905c7800533e7f1854770729e74 [0,2,0,0,0,1|1,0,0]=4 1366 B13R1.470 C/C=C/C(=O)Nc1ccccc1S 5412daf372f19d2b4a7b533727a54698 [0,2,0,0,0,1|1,0,0]=4 1367 B13R1.470 CC#CC(=O)Nc1ccccc1C f336fd3420f1fa7b3364353f2ae9788f [0,2,0,0,0,1|1,0,0]=4 1368 B13R1.470 CC#CC(=O)Nc1ccccc1Cl 7edb08802f922888e81988675f326d79 [0,2,0,0,0,1|1,0,0]=4 1369 B13R1.470 CC#CC(=O)Nc1ccccc1F 0cbd3d02351f996c9b777003f733b1b3 [0,2,0,0,0,1|1,0,0]=4 1370 B13R1.470 CC#CC(=O)Nc1ccccc1I 9b19b83ee8a1dc2a45dac58f08487aeb [0,2,0,0,0,1|1,0,0]=4 1371 B13R1.470 CC#CC(=O)Nc1ccccc1O 1451de7735e57b0509ace4614a163318 [0,2,0,0,0,1|1,0,0]=4 1372 B13R1.470 CC#CC(=O)Nc1ccccc1S d8780ffd180baecd37b385330ffb8bcf [0,2,0,0,0,1|1,0,0]=4 1373 B13R1.470 CCCC(=O)Nc1ccccc1C 8345d3b6a5046a36f10ea0890524e00c [0,2,0,0,0,1|1,0,0]=4 1374 B13R1.470 CCCC(=O)Nc1ccccc1Cl 22c86e734e74d55b059b3e5d687dc84c [0,2,0,0,0,1|1,0,0]=4 1375 B13R1.470 CCCC(=O)Nc1ccccc1F 6448e6acb2be886787fdd66bba29a8fd [0,2,0,0,0,1|1,0,0]=4 1376 B13R1.470 CCCC(=O)Nc1ccccc1I bbb64b7cff592b5b01e9ecf923a9063b [0,2,0,0,0,1|1,0,0]=4 1377 B13R1.470 CCCC(=O)Nc1ccccc1O aea11bfa278b309f91df0d783cb6767e [0,2,0,0,0,1|1,0,0]=4 1378 B13R1.470 CCCC(=O)Nc1ccccc1S 08afffb4e638d736e386d36c65fbfa2b [0,2,0,0,0,1|1,0,0]=4 1379 B13R1.470 COCC(=O)Nc1ccccc1C 9b39b64776d16e9212aaf309ba17a868 [0,2,0,0,0,1|1,0,0]=4 1380 B13R1.470 COCC(=O)Nc1ccccc1Cl 69f6a40437c96b936605b759c01186e8 [0,2,0,0,0,1|1,0,0]=4 1381 B13R1.470 COCC(=O)Nc1ccccc1F 89f11873d8d150777678d07c536820d0 [0,2,0,0,0,1|1,0,0]=4 1382 B13R1.470 COCC(=O)Nc1ccccc1I 10422f14ac234f90e30448ab24aaa7ab [0,2,0,0,0,1|1,0,0]=4 1383 B13R1.470 COCC(=O)Nc1ccccc1O b2b0ec66acf774b4504f5e57b352dc0f [0,2,0,0,0,1|1,0,0]=4 1384 B13R1.470 COCC(=O)Nc1ccccc1S f7b426afb771d21f4628d54a32f8ff1a [0,2,0,0,0,1|1,0,0]=4 1385 B13R1.470 CSCC(=O)Nc1ccccc1I cbb95551767abc345ddea17da0c172ea [0,2,0,0,0,1|1,0,0]=4 1386 B13R1.470 CSCC(=O)Nc1ccccc1S 66100ad36dcf7a6d41ee75ba4ba96d4a [0,2,0,0,0,1|1,0,0]=4 1387 B13R1.470 Cc1ccccc1NC(=O)CCF 7fe8114714c0f20381c1c51b58a52856 [0,2,0,0,0,1|1,0,0]=4 1388 B13R1.470 Cc1ccccc1NC(=O)CCO 485b29193b10d0cac56e8f5d04dbcc0b [0,2,0,0,0,1|1,0,0]=4 1389 B13R1.470 Cc1ccccc1NC(=O)CCS afeb73cf4c3bb7b020d8a528e0669b7a [0,2,0,0,0,1|1,0,0]=4 1390 B13R1.470 N#CNC(=O)Cc1ccccc1Br adfe02999d9262a5587ef4e1fe83487c [0,2,0,0,0,1|0,0,1]=4 1391 B13R1.470 N#CNC(=O)Cc1ccccc1Cl d999dbdfe51bc50018cdb665bc57e9f5 [0,2,0,0,0,1|0,0,1]=4 1392 B13R1.470 N#CNC(=O)Cc1ccccc1F 29c92ef4f72db69f3cbc6f8fc13aa4bc [0,2,0,0,0,1|0,0,1]=4 1393 B13R1.470 N#CNC(=O)Cc1ccccc1I 6101ccee5e731f3504368bbef81dcedc [0,2,0,0,0,1|0,0,1]=4 1394 B13R1.470 O=C(CCF)Nc1ccccc1Cl 52def855fffb8f88b70bfb467a88372d [0,2,0,0,0,1|1,0,0]=4 1395 B13R1.470 O=C(CCF)Nc1ccccc1F 3a8b58c74d07e200670e323d682f39e1 [0,2,0,0,0,1|1,0,0]=4 1396 B13R1.470 O=C(CCF)Nc1ccccc1I f7870a37cdd0d43892dfca0fdc27ef29 [0,2,0,0,0,1|1,0,0]=4 1397 B13R1.470 O=C(CCF)Nc1ccccc1O 7bed32703c107c833b6761b646878795 [0,2,0,0,0,1|1,0,0]=4 1398 B13R1.470 O=C(CCF)Nc1ccccc1S f89f3456e523c1925abe82dc6d1a5aa1 [0,2,0,0,0,1|1,0,0]=4 1399 B13R1.470 O=C(CCO)Nc1ccccc1Cl 7e86a18a307f242f74cec12e3bf827e8 [0,2,0,0,0,1|1,0,0]=4 1400 B13R1.470 O=C(CCO)Nc1ccccc1F 5d2f6ec92755a9f0930f456f8e71673f [0,2,0,0,0,1|1,0,0]=4 1401 B13R1.470 O=C(CCO)Nc1ccccc1I 3f63fbd716158427291da8d9e0321d83 [0,2,0,0,0,1|1,0,0]=4 1402 B13R1.470 O=C(CCO)Nc1ccccc1O 14901dca468f7c18e0a846092f4476b9 [0,2,0,0,0,1|1,0,0]=4 1403 B13R1.470 O=C(CCO)Nc1ccccc1S f0728a23e63339e1be4dad638ba2732b [0,2,0,0,0,1|1,0,0]=4 1404 B13R1.470 O=C(CCS)Nc1ccccc1F 4e5a478afd7d18e8fbfd14870f106a7b [0,2,0,0,0,1|1,0,0]=4 1405 B13R1.470 O=C(CCS)Nc1ccccc1I 8e52fd8672bceeac5db3cde6d2c537ca [0,2,0,0,0,1|1,0,0]=4 1406 B13R1.470 O=C(CCS)Nc1ccccc1O 0c560dead2e66220fe7f3eb1474ee25a [0,2,0,0,0,1|1,0,0]=4 1407 B13R1.470 O=C(CCS)Nc1ccccc1S 3a9ad993bfcece5ddf782114847bd191 [0,2,0,0,0,1|1,0,0]=4 1408 B13R1.21 CCC(=O)N(C)c1ccc(cc1)C 212120942594175ece4d8ab533c26cea [0,2,0,0,0,1|1,0,0]=4 1409 B13R1.21 CCC(=O)N(C)c1ccc(cc1)F b4471227af789ea308773fa54d4f55de [0,2,0,0,0,1|1,0,0]=4 1410 B13R1.21 CCC(=O)N(C)c1ccc(cc1)I 55f1881a245d7ac10e211a222ddb4bc6 [0,2,0,0,0,1|1,0,0]=4 1411 B13R1.21 CCC(=O)N(C)c1ccc(cc1)S 98a27012840d77564f72c2519c46a993 [0,2,0,0,0,1|1,0,0]=4 1412 B13R1.22 CCC(=O)N(C)c1cccc(c1)C 6e82b3c662edcb46c7562c8048cfb596 [0,2,0,0,0,1|1,0,0]=4 1413 B13R1.22 CCC(=O)N(C)c1cccc(c1)Cl e2136416414a68830567bee50a4820fa [0,2,0,0,0,1|1,0,0]=4 1414 B13R1.22 CCC(=O)N(C)c1cccc(c1)F 7b362a5523ff54fd5193ea7f68ddda6d [0,2,0,0,0,1|1,0,0]=4 1415 B13R1.22 CCC(=O)N(C)c1cccc(c1)I c11d7cd26bc5f7228b381cafa49fa627 [0,2,0,0,0,1|1,0,0]=4 1416 B13R1.22 CCC(=O)N(C)c1cccc(c1)O 934b4adc5463dad716f9f0bff692c73f [0,2,0,0,0,1|1,0,0]=4 1417 B13R1.696 CCC(=O)N(C)c1ccccc1C 7b6032e57ce60f8915bbd7ce6b2d5136 [0,2,0,0,0,1|1,0,0]=4 1418 B13R1.696 CCC(=O)N(C)c1ccccc1Cl a16e3300110a96b877659e1cc1de4690 [0,2,0,0,0,1|1,0,0]=4 1419 B13R1.696 CCC(=O)N(C)c1ccccc1F 08934841ec63b331d93c6374ff165b98 [0,2,0,0,0,1|1,0,0]=4 1420 B13R1.696 CCC(=O)N(C)c1ccccc1O 8cdf4926c5fd0ad1eb6ec2e14ce77339 [0,2,0,0,0,1|1,0,0]=4 1421 B13R1.133 C=C(C)C(=O)Nc1ccc(cc1)C 9e24fdfeceb66a471f038074e6650c09 [0,2,0,0,0,1|1,0,0]=4 1422 B13R1.133 C=C(C)C(=O)Nc1ccc(cc1)F ed1119f2322c1e38fda08671bd6f51bb [0,2,0,0,0,1|1,0,0]=4 1423 B13R1.133 C=C(C)C(=O)Nc1ccc(cc1)I a06a440e48068ac7768066ed0ec08008 [0,2,0,0,0,1|1,0,0]=4 1424 B13R1.133 C=C(C)C(=O)Nc1ccc(cc1)O 101ad976a47de10bd52fab7f8096fa28 [0,2,0,0,0,1|1,0,0]=4 1425 B13R1.133 C=C(C)C(=O)Nc1ccc(cc1)S b304a991041eec50c5816fe46dc86828 [0,2,0,0,0,1|1,0,0]=4 1426 B13R1.133 CC(=O)C(=O)Nc1ccc(cc1)C 7b77b4f7cc7c240a83281494988e7305 [0,2,0,0,0,1|1,0,0]=4 1427 B13R1.133 CC(=O)C(=O)Nc1ccc(cc1)F 4bf9dfd01035587fc6a9c7182c3cd64f [0,2,0,0,0,1|1,0,0]=4 1428 B13R1.133 CC(=O)C(=O)Nc1ccc(cc1)I 56a5691075af851e3a324a54f6395835 [0,2,0,0,0,1|1,0,0]=4 1429 B13R1.133 CC(=O)C(=O)Nc1ccc(cc1)O 4a079bc86d64ec9c5b0fe882f4575f38 [0,2,0,0,0,1|1,0,0]=4 1430 B13R1.133 CC(=O)C(=O)Nc1ccc(cc1)S f35aab3b77e1d3e33e0e368dee00456b [0,2,0,0,0,1|1,0,0]=4 1431 B13R1.133 CC(F)C(=O)Nc1ccc(cc1)S 9deaeb2aefb9e2e754d7b6b8078e7d95 [0,2,0,0,0,1|1,0,0]=4 1432 B13R1.133 CC(O)C(=O)Nc1ccc(cc1)F 9f35c566c42a4f3231652a9bdba6aa2b [0,2,0,0,0,1|1,0,0]=4 1433 B13R1.133 CC(O)C(=O)Nc1ccc(cc1)I c2329af118f52f56c194f23414aa5661 [0,2,0,0,0,1|1,0,0]=4 1434 B13R1.133 CC(O)C(=O)Nc1ccc(cc1)O b160e33f7198bf465b37432d42b50b24 [0,2,0,0,0,1|1,0,0]=4 1435 B13R1.133 CC(O)C(=O)Nc1ccc(cc1)S 9979bbda97d486ddfeeb3af62383fbec [0,2,0,0,0,1|1,0,0]=4 1436 B13R1.133 CC(S)C(=O)Nc1ccc(cc1)F 56fa45388f072313bac48d82787946b7 [0,2,0,0,0,1|1,0,0]=4 1437 B13R1.133 CC(S)C(=O)Nc1ccc(cc1)I 1aad340bc4a89f1b3fc9062ebb8070de [0,2,0,0,0,1|1,0,0]=4 1438 B13R1.133 CC(S)C(=O)Nc1ccc(cc1)O fadbfddc114413f3708b993e61a3eb32 [0,2,0,0,0,1|1,0,0]=4 1439 B13R1.133 CC(S)C(=O)Nc1ccc(cc1)S b3cce614a2a418a9ac16901ee078236b [0,2,0,0,0,1|1,0,0]=4 1440 B13R1.133 C[C@@H](F)C(=O)Nc1ccc(cc1)S 4a03c98740fec734bff5b0f6f18f559a [0,2,0,0,0,1|1,0,0]=4 1441 B13R1.133 C[C@@H](O)C(=O)Nc1ccc(cc1)F 0c9fd1014660a590bc6955e8addd2a80 [0,2,0,0,0,1|1,0,0]=4 1442 B13R1.133 C[C@@H](O)C(=O)Nc1ccc(cc1)I 9c4d0354bd71a8fa5d2d4aafe78853c3 [0,2,0,0,0,1|1,0,0]=4 1443 B13R1.133 C[C@@H](O)C(=O)Nc1ccc(cc1)O c5f812803dd865692b31897d64dbe659 [0,2,0,0,0,1|1,0,0]=4 1444 B13R1.133 C[C@@H](O)C(=O)Nc1ccc(cc1)S d0794a2cccf12cb8f60f262badaa5eb3 [0,2,0,0,0,1|1,0,0]=4 1445 B13R1.133 C[C@H](F)C(=O)Nc1ccc(cc1)S 2d70eb4993ad5a8aa442975ccfa42147 [0,2,0,0,0,1|1,0,0]=4 1446 B13R1.133 C[C@H](O)C(=O)Nc1ccc(cc1)F 70914c20fd890db4a35bed1ea3e7e12d [0,2,0,0,0,1|1,0,0]=4 1447 B13R1.133 C[C@H](O)C(=O)Nc1ccc(cc1)I c3f9466555d39eb7745defd6926b375a [0,2,0,0,0,1|1,0,0]=4 1448 B13R1.133 C[C@H](O)C(=O)Nc1ccc(cc1)O e017971e12e508e3506fedc5d086ed00 [0,2,0,0,0,1|1,0,0]=4 1449 B13R1.133 C[C@H](O)C(=O)Nc1ccc(cc1)S 42845a3372c7ef1e0ab7a8871bd6028e [0,2,0,0,0,1|1,0,0]=4 1450 B13R1.133 Cc1ccc(cc1)NC(=O)C(C)O a98282202c08455f10ba290420bced73 [0,2,0,0,0,1|1,0,0]=4 1451 B13R1.133 Cc1ccc(cc1)NC(=O)C(C)S 08cfcd9a00960627df43dff5a9316dc2 [0,2,0,0,0,1|1,0,0]=4 1452 B13R1.133 Cc1ccc(cc1)NC(=O)[C@@H](C)O 5c68d357b67fac0ba61671bd107023ce [0,2,0,0,0,1|1,0,0]=4 1453 B13R1.133 Cc1ccc(cc1)NC(=O)[C@H](C)O 1985aa7ac8075dbe9b506fb01afb1784 [0,2,0,0,0,1|1,0,0]=4 1454 B13R1.148 C=C(C)C(=O)Nc1cccc(c1)C d7f0adab9362f6757e3932b5ed64a44f [0,2,0,0,0,1|1,0,0]=4 1455 B13R1.148 C=C(C)C(=O)Nc1cccc(c1)Cl f7d6c5fdab9be2fbed6349d3d89935f2 [0,2,0,0,0,1|1,0,0]=4 1456 B13R1.148 C=C(C)C(=O)Nc1cccc(c1)F 055b0209d7e74cbc13bc26c296e20c44 [0,2,0,0,0,1|1,0,0]=4 1457 B13R1.148 C=C(C)C(=O)Nc1cccc(c1)I a730820077bdd3488e4e1534e08ac4df [0,2,0,0,0,1|1,0,0]=4 1458 B13R1.148 C=C(C)C(=O)Nc1cccc(c1)O f6f332a64537754086a9578583de733f [0,2,0,0,0,1|1,0,0]=4 1459 B13R1.148 CC(=O)C(=O)Nc1cccc(c1)C 28634609dc2100fccf5b484370114835 [0,2,0,0,0,1|1,0,0]=4 1460 B13R1.148 CC(=O)C(=O)Nc1cccc(c1)Cl 351c2fb69a0462f2ad322c167e50bae4 [0,2,0,0,0,1|1,0,0]=4 1461 B13R1.148 CC(=O)C(=O)Nc1cccc(c1)F 05d2c61f7326bd499fa4ba786fa0e17c [0,2,0,0,0,1|1,0,0]=4 1462 B13R1.148 CC(=O)C(=O)Nc1cccc(c1)I df11b8aaf62ae424aa442046fedd22bb [0,2,0,0,0,1|1,0,0]=4 1463 B13R1.148 CC(=O)C(=O)Nc1cccc(c1)O 0069e02bb6212e3487331e0d35c7d68e [0,2,0,0,0,1|1,0,0]=4 1464 B13R1.148 CC(O)C(=O)Nc1cccc(c1)Cl b8a599d7e85ae770e8a68c5cc267f466 [0,2,0,0,0,1|1,0,0]=4 1465 B13R1.148 CC(O)C(=O)Nc1cccc(c1)F dc25092e9a39e0b7779b25c993c01958 [0,2,0,0,0,1|1,0,0]=4 1466 B13R1.148 CC(O)C(=O)Nc1cccc(c1)I 2cadab360e5a0587bab84f925ad33464 [0,2,0,0,0,1|1,0,0]=4 1467 B13R1.148 CC(O)C(=O)Nc1cccc(c1)O 1672a3cb5c1fd6f5988103c2c8ff8671 [0,2,0,0,0,1|1,0,0]=4 1468 B13R1.148 CC(O)C(=O)Nc1cccc(c1)S eed0f0b7118ae998587adf2851501051 [0,2,0,0,0,1|1,0,0]=4 1469 B13R1.148 CC(S)C(=O)Nc1cccc(c1)Cl e9e06f3bdb3494815be89b71abff7682 [0,2,0,0,0,1|1,0,0]=4 1470 B13R1.148 CC(S)C(=O)Nc1cccc(c1)F 60a0c485b64d8de9688be252d7bdcc08 [0,2,0,0,0,1|1,0,0]=4 1471 B13R1.148 CC(S)C(=O)Nc1cccc(c1)I 63b11a8180243204805e581517f4d7e9 [0,2,0,0,0,1|1,0,0]=4 1472 B13R1.148 CC(S)C(=O)Nc1cccc(c1)O f7c6e7df8268f127ae12b33fabb4025d [0,2,0,0,0,1|1,0,0]=4 1473 B13R1.148 CC(S)C(=O)Nc1cccc(c1)S 3bbb98e4c205706af3a7782d120e6743 [0,2,0,0,0,1|1,0,0]=4 1474 B13R1.148 C[C@@H](O)C(=O)Nc1cccc(c1)Cl a1c172d5b249e08693f9937a70d3be9c [0,2,0,0,0,1|1,0,0]=4 1475 B13R1.148 C[C@@H](O)C(=O)Nc1cccc(c1)F b7c619e84b9e1675780a298b8d41fdc9 [0,2,0,0,0,1|1,0,0]=4 1476 B13R1.148 C[C@@H](O)C(=O)Nc1cccc(c1)I 86fa3da32338471a87f89c2759cf5662 [0,2,0,0,0,1|1,0,0]=4 1477 B13R1.148 C[C@@H](O)C(=O)Nc1cccc(c1)O d9b9907ebd8011aa16949310c6bb5850 [0,2,0,0,0,1|1,0,0]=4 1478 B13R1.148 C[C@@H](O)C(=O)Nc1cccc(c1)S f24cb12812cf14e0a0cf4d5103e6f95f [0,2,0,0,0,1|1,0,0]=4 1479 B13R1.148 C[C@H](O)C(=O)Nc1cccc(c1)Cl 1d14607f840016a6fda599f4840ca3ce [0,2,0,0,0,1|1,0,0]=4 1480 B13R1.148 C[C@H](O)C(=O)Nc1cccc(c1)F 87ca5b83e66be66c5814431db9c9a24e [0,2,0,0,0,1|1,0,0]=4 1481 B13R1.148 C[C@H](O)C(=O)Nc1cccc(c1)I 73217a41ab06f6c897c9cf55b21b9326 [0,2,0,0,0,1|1,0,0]=4 1482 B13R1.148 C[C@H](O)C(=O)Nc1cccc(c1)O fe06b4035ea9b3e5a1400d939b1340b2 [0,2,0,0,0,1|1,0,0]=4 1483 B13R1.148 C[C@H](O)C(=O)Nc1cccc(c1)S 2cfe954b80793232c6dfdd8b0ee138fa [0,2,0,0,0,1|1,0,0]=4 1484 B13R1.148 Cc1cccc(c1)NC(=O)C(C)O 038a3d3dadc88ac7bec83a68aa0c4f12 [0,2,0,0,0,1|1,0,0]=4 1485 B13R1.148 Cc1cccc(c1)NC(=O)C(C)S afcbe98518415aff446ac6d2f1ded752 [0,2,0,0,0,1|1,0,0]=4 1486 B13R1.148 Cc1cccc(c1)NC(=O)[C@@H](C)O d1a0627226c014014072b20b414b9b38 [0,2,0,0,0,1|1,0,0]=4 1487 B13R1.148 Cc1cccc(c1)NC(=O)[C@H](C)O 2a64a5c2358fa0b341a763f5aee9dab7 [0,2,0,0,0,1|1,0,0]=4 1488 B13R1.202 C=C(C)C(=O)Nc1ccccc1C 0576d9c026bd55a99b880e0285d0af3a [0,2,0,0,0,1|1,0,0]=4 1489 B13R1.202 C=C(C)C(=O)Nc1ccccc1F 9a5a7d5e77293719e5a41cbf540141f2 [0,2,0,0,0,1|1,0,0]=4 1490 B13R1.202 C=C(C)C(=O)Nc1ccccc1I cd91cd8d201b261e3018d57456c9eb63 [0,2,0,0,0,1|1,0,0]=4 1491 B13R1.202 C=C(C)C(=O)Nc1ccccc1O a32baba90d61f6c17232f9c526339ac7 [0,2,0,0,0,1|1,0,0]=4 1492 B13R1.202 C=C(C)C(=O)Nc1ccccc1S d7455653a2beaffe9b65441f63d45072 [0,2,0,0,0,1|1,0,0]=4 1493 B13R1.202 CC(=O)C(=O)Nc1ccccc1C cd461f98ecabd1eef141ed8d73adacd3 [0,2,0,0,0,1|1,0,0]=4 1494 B13R1.202 CC(=O)C(=O)Nc1ccccc1Cl 4caa86e7edf711213a2dd8b813c6197b [0,2,0,0,0,1|1,0,0]=4 1495 B13R1.202 CC(=O)C(=O)Nc1ccccc1F e178f921dbcae4d9a3ba66d2dcdcede2 [0,2,0,0,0,1|1,0,0]=4 1496 B13R1.202 CC(=O)C(=O)Nc1ccccc1I 42db2d8dd765153120b049bad6351b5d [0,2,0,0,0,1|1,0,0]=4 1497 B13R1.202 CC(=O)C(=O)Nc1ccccc1O 0785da9e2548bcd547a04cf50c95dd0c [0,2,0,0,0,1|1,0,0]=4 1498 B13R1.202 CC(=O)C(=O)Nc1ccccc1S 53563f56c83642f230f9eca10a639774 [0,2,0,0,0,1|1,0,0]=4 1499 B13R1.202 CC(F)C(=O)Nc1ccccc1I ed33f338a11963815a9be1f0cccb71a8 [0,2,0,0,0,1|1,0,0]=4 1500 B13R1.202 CC(O)C(=O)Nc1ccccc1F 65947b1f55168fb79c11c92e6c120cc7 [0,2,0,0,0,1|1,0,0]=4 1501 B13R1.202 CC(O)C(=O)Nc1ccccc1I 33db6cf569b956b7782eebd7cb4ef990 [0,2,0,0,0,1|1,0,0]=4 1502 B13R1.202 CC(O)C(=O)Nc1ccccc1O 5f62fbbd76cd1e1701dc4e765dd82567 [0,2,0,0,0,1|1,0,0]=4 1503 B13R1.202 CC(O)C(=O)Nc1ccccc1S d6aa2eb8bb92c4d31cc5502359b6c158 [0,2,0,0,0,1|1,0,0]=4 1504 B13R1.202 CC(S)C(=O)Nc1ccccc1F 3abdbd9ecd8239f33b64c08aec6e2d78 [0,2,0,0,0,1|1,0,0]=4 1505 B13R1.202 CC(S)C(=O)Nc1ccccc1I 636350023fc81c8a1bfddec9f2f26e6d [0,2,0,0,0,1|1,0,0]=4 1506 B13R1.202 C[C@@H](F)C(=O)Nc1ccccc1I 40813139a0c77214924afbd9c9c6804c [0,2,0,0,0,1|1,0,0]=4 1507 B13R1.202 C[C@@H](O)C(=O)Nc1ccccc1F 361c17a13a80c5cf71607eb24ebb5b20 [0,2,0,0,0,1|1,0,0]=4 1508 B13R1.202 C[C@@H](O)C(=O)Nc1ccccc1I d86a6e98ece1b8a643cf549478691d0f [0,2,0,0,0,1|1,0,0]=4 1509 B13R1.202 C[C@@H](O)C(=O)Nc1ccccc1O a17454cabe139045785797a6831bed2c [0,2,0,0,0,1|1,0,0]=4 1510 B13R1.202 C[C@@H](O)C(=O)Nc1ccccc1S e4bb1ebb404ce68f9e637d0721e475a2 [0,2,0,0,0,1|1,0,0]=4 1511 B13R1.202 C[C@H](F)C(=O)Nc1ccccc1I 92a95d1c1a65404f95a894e796752207 [0,2,0,0,0,1|1,0,0]=4 1512 B13R1.202 C[C@H](O)C(=O)Nc1ccccc1F 9b70c05cd0da5bcefef2f8326c2f92a1 [0,2,0,0,0,1|1,0,0]=4 1513 B13R1.202 C[C@H](O)C(=O)Nc1ccccc1I 5a47713b6392335e6087ce226c44e5b2 [0,2,0,0,0,1|1,0,0]=4 1514 B13R1.202 C[C@H](O)C(=O)Nc1ccccc1O 1cc60c00689bf8d2034fd4068f554621 [0,2,0,0,0,1|1,0,0]=4 1515 B13R1.202 C[C@H](O)C(=O)Nc1ccccc1S 95e5756b0d43e378cdca3909bce8145f [0,2,0,0,0,1|1,0,0]=4 1516 B13R1.202 Cc1ccccc1NC(=O)C(C)O 32715341bfe1717841f4c659188385fc [0,2,0,0,0,1|1,0,0]=4 1517 B13R1.202 Cc1ccccc1NC(=O)[C@@H](C)O 07842f348006d8feb2bb6146d063f2fc [0,2,0,0,0,1|1,0,0]=4 1518 B13R1.202 Cc1ccccc1NC(=O)[C@H](C)O fc5a2f2d3a5d7a66f8d52586e59d3151 [0,2,0,0,0,1|1,0,0]=4 1519 B13R1.5 C=Cc1ccc(cc1)NC(=O)CC 341e1b3e08aa6bdeda07f045cbfccd45 [0,2,0,0,0,1|1,0,0]=4 1520 B13R1.5 CCC(=O)Nc1ccc(cc1)CC 7f9b914860a5ff3968189a9bcf123c14 [0,2,0,0,0,1|1,0,0]=4 1521 B13R1.5 CCC(=O)Nc1ccc(cc1)CO 550d114ddde22e4f1bb0b252ae0afe60 [0,2,0,0,0,1|1,0,0]=4 1522 B13R1.2679 CCC(=O)Nc1ccc(cc1C)C 641a53c9246bbed0d81474e4e1061c6e [0,2,0,0,0,1|1,0,0]=4 1523 B13R1.2679 CCC(=O)Nc1ccc(cc1C)F a46e5bbc2c4ecf610735dbce3ce83052 [0,2,0,0,0,1|1,0,0]=4 1524 B13R1.2679 CCC(=O)Nc1ccc(cc1C)I 00a973f6a4c071f49e8c4758bb42e96b [0,2,0,0,0,1|1,0,0]=4 1525 B13R1.2679 CCC(=O)Nc1ccc(cc1Cl)F 0354eb1a2efb07336e35d99bcf40a25d [0,2,0,0,0,1|1,0,0]=4 1526 B13R1.2679 CCC(=O)Nc1ccc(cc1F)C dd0e1ec9af52156603fe3cc42a93d72f [0,2,0,0,0,1|1,0,0]=4 1527 B13R1.2679 CCC(=O)Nc1ccc(cc1F)Cl accc59012b3703513f062d2ae055a5eb [0,2,0,0,0,1|1,0,0]=4 1528 B13R1.2679 CCC(=O)Nc1ccc(cc1F)F 93ff7d4a7674703079d2761165c8b754 [0,2,0,0,0,1|1,0,0]=4 1529 B13R1.2679 CCC(=O)Nc1ccc(cc1F)I ebbe3685cc20641e26e2a7ca6aac0c4b [0,2,0,0,0,1|1,0,0]=4 1530 B13R1.2679 CCC(=O)Nc1ccc(cc1F)O 2cf0a4045e3a17ef8d64dd00574ca252 [0,2,0,0,0,1|1,0,0]=4 1531 B13R1.2679 CCC(=O)Nc1ccc(cc1F)S 27e1df7fa07e9ba84009439eeb75c747 [0,2,0,0,0,1|1,0,0]=4 1532 B13R1.2679 CCC(=O)Nc1ccc(cc1I)Br 3a248edb2f36eca522a42f6b42274667 [0,2,0,0,0,1|1,0,0]=4 1533 B13R1.2679 CCC(=O)Nc1ccc(cc1I)C 980d06ba2b1671abb9292cfab7f0b8b9 [0,2,0,0,0,1|1,0,0]=4 1534 B13R1.2679 CCC(=O)Nc1ccc(cc1I)Cl 901d2a9832c92e0b6c6b58f5649d61e7 [0,2,0,0,0,1|1,0,0]=4 1535 B13R1.2679 CCC(=O)Nc1ccc(cc1I)F f81eac58de063ae711e04ba5cc0f583e [0,2,0,0,0,1|1,0,0]=4 1536 B13R1.2679 CCC(=O)Nc1ccc(cc1I)I 69d4b80ae8b7870e379d58caf8b09eff [0,2,0,0,0,1|1,0,0]=4 1537 B13R1.2679 CCC(=O)Nc1ccc(cc1I)O c8080abe5b79a803eff87ac50eb17fa6 [0,2,0,0,0,1|1,0,0]=4 1538 B13R1.2679 CCC(=O)Nc1ccc(cc1O)F ff40c7d46af31e825dc281b2070f502b [0,2,0,0,0,1|1,0,0]=4 1539 B13R1.2679 CCC(=O)Nc1ccc(cc1S)C b1cacae86dc2ec1479680e763a539edb [0,2,0,0,0,1|1,0,0]=4 1540 B13R1.2679 CCC(=O)Nc1ccc(cc1S)F 73a8640e59b7a386d9d371bc95dc9e17 [0,2,0,0,0,1|1,0,0]=4 1541 B13R1.2879 CCC(=O)Nc1ccc(c(c1)C)F 2d72fb24198af0bb6f1766a9961e9105 [0,2,0,0,0,1|1,0,0]=4 1542 B13R1.2879 CCC(=O)Nc1ccc(c(c1)F)C 5ae37226e6cd2fe1e5cbcad7863002b8 [0,2,0,0,0,1|1,0,0]=4 1543 B13R1.2879 CCC(=O)Nc1ccc(c(c1)F)F 0e3162bcff76d085506e9720eb8d603e [0,2,0,0,0,1|1,0,0]=4 1544 B13R1.2879 CCC(=O)Nc1ccc(c(c1)F)I fa4c42dd1e5e78146a9ed93f3900b243 [0,2,0,0,0,1|1,0,0]=4 1545 B13R1.2879 CCC(=O)Nc1ccc(c(c1)I)C 5ca93e02b68ff8970b6dda0e06a02d81 [0,2,0,0,0,1|1,0,0]=4 1546 B13R1.2879 CCC(=O)Nc1ccc(c(c1)I)F f4f9c4cba231d4c3326787753d3bd6bf [0,2,0,0,0,1|1,0,0]=4 1547 B13R1.40 CCC(=O)Nc1cccc(c1Br)Br da3f1ce3ef188adcee1e8af059bdcfcf [0,2,0,0,0,1|1,0,0]=4 1548 B13R1.40 CCC(=O)Nc1cccc(c1Br)C 0493c46038290f4c6bc4c46c3c3673f7 [0,2,0,0,0,1|1,0,0]=4 1549 B13R1.40 CCC(=O)Nc1cccc(c1Br)Cl e5961881444db5d6ad8e43d798d193ac [0,2,0,0,0,1|1,0,0]=4 1550 B13R1.40 CCC(=O)Nc1cccc(c1Br)F a66e35fe90c254c69538dd72db33cb9a [0,2,0,0,0,1|1,0,0]=4 1551 B13R1.40 CCC(=O)Nc1cccc(c1Br)I f70f6bcdfd75f9f59cbde8398ba49361 [0,2,0,0,0,1|1,0,0]=4 1552 B13R1.40 CCC(=O)Nc1cccc(c1C)Br 03319c602ebab78c150069eb903e910b [0,2,0,0,0,1|1,0,0]=4 1553 B13R1.40 CCC(=O)Nc1cccc(c1C)C e44f8c83e143b821df6c02e19c23bf2d [0,2,0,0,0,1|1,0,0]=4 1554 B13R1.40 CCC(=O)Nc1cccc(c1C)Cl 88bab41222030af8c6c21a5bdb581928 [0,2,0,0,0,1|1,0,0]=4 1555 B13R1.40 CCC(=O)Nc1cccc(c1C)F 07bea264ce503c810165ef4e210a2f26 [0,2,0,0,0,1|1,0,0]=4 1556 B13R1.40 CCC(=O)Nc1cccc(c1C)I cb5c2013980992acb7addb6eea0fa731 [0,2,0,0,0,1|1,0,0]=4 1557 B13R1.40 CCC(=O)Nc1cccc(c1C)O 435b61f5381e9b0c7845e4291886e98f [0,2,0,0,0,1|1,0,0]=4 1558 B13R1.40 CCC(=O)Nc1cccc(c1Cl)C 6c4b8498e86b678050e43a815dc6b95c [0,2,0,0,0,1|1,0,0]=4 1559 B13R1.40 CCC(=O)Nc1cccc(c1Cl)Cl f38aaa3e0e75a435b6935c6e8a71e524 [0,2,0,0,0,1|1,0,0]=4 1560 B13R1.40 CCC(=O)Nc1cccc(c1Cl)F a772adf089344f2eba9eec9a4b08ed44 [0,2,0,0,0,1|1,0,0]=4 1561 B13R1.40 CCC(=O)Nc1cccc(c1Cl)I 0a532c053edb3b2eba6acc82647b9533 [0,2,0,0,0,1|1,0,0]=4 1562 B13R1.40 CCC(=O)Nc1cccc(c1Cl)O e5904263174063c1fbf0e45e1a6e2fdc [0,2,0,0,0,1|1,0,0]=4 1563 B13R1.40 CCC(=O)Nc1cccc(c1Cl)S 2ddfaa90a7a9e3455d8aadb3dad88119 [0,2,0,0,0,1|1,0,0]=4 1564 B13R1.40 CCC(=O)Nc1cccc(c1F)Br d09473dfcb540fe38e97f5a3d40906b5 [0,2,0,0,0,1|1,0,0]=4 1565 B13R1.40 CCC(=O)Nc1cccc(c1F)C 884a52a753c4c52cdad2238dce65a9b6 [0,2,0,0,0,1|1,0,0]=4 1566 B13R1.40 CCC(=O)Nc1cccc(c1F)Cl 4b5bbd9c1be51d988a99927ed40f8abc [0,2,0,0,0,1|1,0,0]=4 1567 B13R1.40 CCC(=O)Nc1cccc(c1F)F 8f10a0d4d734390d10d8e049e858c170 [0,2,0,0,0,1|1,0,0]=4 1568 B13R1.40 CCC(=O)Nc1cccc(c1F)I 40b16373608364f6f6078309c9129edb [0,2,0,0,0,1|1,0,0]=4 1569 B13R1.40 CCC(=O)Nc1cccc(c1F)O 5feda8c99b2660abbe717e6f21b49f16 [0,2,0,0,0,1|1,0,0]=4 1570 B13R1.40 CCC(=O)Nc1cccc(c1I)Cl af865f3c704c5e86d91d4aa4b205323a [0,2,0,0,0,1|1,0,0]=4 1571 B13R1.40 CCC(=O)Nc1cccc(c1I)F 1fd2857447b00fce12662ba7aba9bfc8 [0,2,0,0,0,1|1,0,0]=4 1572 B13R1.40 CCC(=O)Nc1cccc(c1O)C 2a2d36627d7f69887d9ee79668b0e6f3 [0,2,0,0,0,1|1,0,0]=4 1573 B13R1.40 CCC(=O)Nc1cccc(c1O)Cl affa37aa20e8085db3b57b04408bc5a8 [0,2,0,0,0,1|1,0,0]=4 1574 B13R1.40 CCC(=O)Nc1cccc(c1O)F 943981d41fdac8c6d40a231c4fa86a98 [0,2,0,0,0,1|1,0,0]=4 1575 B13R1.40 CCC(=O)Nc1cccc(c1O)I 1cd37a1c484f0104d21f5f3d86153391 [0,2,0,0,0,1|1,0,0]=4 1576 B13R1.40 CCC(=O)Nc1cccc(c1O)O f76e799913cb2d780f5a335d128c0d8b [0,2,0,0,0,1|1,0,0]=4 1577 B13R1.81 C=Cc1cccc(c1)NC(=O)CC 98f4e549f8b91eefacf065fdefd8b008 [0,2,0,0,0,1|1,0,0]=4 1578 B13R1.81 CCC(=O)Nc1cccc(c1)CBr bca335f98375a0f64cfae1c7a7cf2987 [0,2,0,0,0,1|1,0,0]=4 1579 B13R1.81 CCC(=O)Nc1cccc(c1)CC 05b443a2d8d87bd4d58abb8db2a2e7b6 [0,2,0,0,0,1|1,0,0]=4 1580 B13R1.81 CCC(=O)Nc1cccc(c1)CF 82bb6fb82ad9941dd8fbe148b00aa0a1 [0,2,0,0,0,1|1,0,0]=4 1581 B13R1.81 CCC(=O)Nc1cccc(c1)CO d10ba1649d29f44948fc20cc5f600b8a [0,2,0,0,0,1|1,0,0]=4 1582 B13R1.81 CCC(=O)Nc1cccc(c1)OC a3607f1505cc742d946726c7d542475e [0,2,0,0,0,1|1,0,0]=4 1583 B13R1.2872 CCC(=O)Nc1cc(ccc1C)C 08849293d0dba8909ab23d0e717f39f2 [0,2,0,0,0,1|1,0,0]=4 1584 B13R1.2872 CCC(=O)Nc1cc(ccc1C)Cl ba4fd2c4d4cf2663e797ecd444fe7ce9 [0,2,0,0,0,1|1,0,0]=4 1585 B13R1.2872 CCC(=O)Nc1cc(ccc1C)F 09d563a9ad2e5399495acaf962d5f3b3 [0,2,0,0,0,1|1,0,0]=4 1586 B13R1.2872 CCC(=O)Nc1cc(ccc1C)I 70958d3faf50d9ce82bf752ddb4a5074 [0,2,0,0,0,1|1,0,0]=4 1587 B13R1.2872 CCC(=O)Nc1cc(ccc1C)O 8eddbbdf36162807e0749579d8224c1a [0,2,0,0,0,1|1,0,0]=4 1588 B13R1.2872 CCC(=O)Nc1cc(ccc1Cl)F ed0cc9752623fcbddfe665b32c7dcafc [0,2,0,0,0,1|1,0,0]=4 1589 B13R1.2872 CCC(=O)Nc1cc(ccc1F)C e81bab32aa02a8bf79170d4f2ac16927 [0,2,0,0,0,1|1,0,0]=4 1590 B13R1.2872 CCC(=O)Nc1cc(ccc1F)Cl 232c3ebe01820709f492b3b48dfff7df [0,2,0,0,0,1|1,0,0]=4 1591 B13R1.2872 CCC(=O)Nc1cc(ccc1F)F 907f1b9e3a7105f60dc48e0eb6015516 [0,2,0,0,0,1|1,0,0]=4 1592 B13R1.2872 CCC(=O)Nc1cc(ccc1F)I 34a0d3cd5fbd619c2db4ec555e44ddd9 [0,2,0,0,0,1|1,0,0]=4 1593 B13R1.2872 CCC(=O)Nc1cc(ccc1F)O 1341c93ded6a8f5e3efd20c38cee55ab [0,2,0,0,0,1|1,0,0]=4 1594 B13R1.2872 CCC(=O)Nc1cc(ccc1I)C 005723d85153592e04c3d0eea33fb141 [0,2,0,0,0,1|1,0,0]=4 1595 B13R1.2872 CCC(=O)Nc1cc(ccc1I)Cl 76160c68ce38851d3d59e345d40bbf21 [0,2,0,0,0,1|1,0,0]=4 1596 B13R1.2872 CCC(=O)Nc1cc(ccc1I)F b46606712e176c16b917de63574c9ec6 [0,2,0,0,0,1|1,0,0]=4 1597 B13R1.2872 CCC(=O)Nc1cc(ccc1S)F 762b68c5ea7787c8b92555bd446d8aeb [0,2,0,0,0,1|1,0,0]=4 1598 B13R1.2874 CCC(=O)Nc1cc(cc(c1)Br)C 4e157879491bc7a78089bcd1701d17dd [0,2,0,0,0,1|1,0,0]=4 1599 B13R1.2874 CCC(=O)Nc1cc(cc(c1)Cl)C 18590ef8f7c7c0fd7274f4822446e078 [0,2,0,0,0,1|1,0,0]=4 1600 B13R1.2874 CCC(=O)Nc1cc(cc(c1)Cl)F e3924017d655ef499e5495bf019a305e [0,2,0,0,0,1|1,0,0]=4 1601 B13R1.2874 CCC(=O)Nc1cc(cc(c1)F)C 4d5089cea7d755d4560ac7c005517ca2 [0,2,0,0,0,1|1,0,0]=4 1602 B13R1.2874 CCC(=O)Nc1cc(cc(c1)F)F 84138ef97aedd1c6a8d0e8e1217f7e9e [0,2,0,0,0,1|1,0,0]=4 1603 B13R1.2874 CCC(=O)Nc1cc(cc(c1)I)Cl a618ec6a16d894e8cc88bd867f0b3559 [0,2,0,0,0,1|1,0,0]=4 1604 B13R1.2874 CCC(=O)Nc1cc(cc(c1)I)F 4d570ae00686195576972770466cc830 [0,2,0,0,0,1|1,0,0]=4 1605 B13R1.91 C#Cc1ccccc1NC(=O)CC 2f421394a4b24f42a0cc99d5635641cd [0,2,0,0,0,1|1,0,0]=4 1606 B13R1.91 C=Cc1ccccc1NC(=O)CC 4dc7c309c39c8d0577a6fc7f7f42f2e0 [0,2,0,0,0,1|1,0,0]=4 1607 B13R1.91 CCC(=O)Nc1ccccc1C#N 71310a1021c932b7c53d45f8b80e811b [0,2,0,0,0,1|1,0,0]=4 1608 B13R1.91 CCC(=O)Nc1ccccc1C=O 97325e8f288b30fe1dc7b3bc306c5498 [0,2,0,0,0,1|1,0,0]=4 1609 B13R1.91 CCC(=O)Nc1ccccc1CBr 8e68c6583f9def35d25ecb52c761df81 [0,2,0,0,0,1|1,0,0]=4 1610 B13R1.91 CCC(=O)Nc1ccccc1CC fcc683bfe1e2f10f5eb16592acc4fd67 [0,2,0,0,0,1|1,0,0]=4 1611 B13R1.91 CCC(=O)Nc1ccccc1CO 04aa1505858009a8c753fbff036f874a [0,2,0,0,0,1|1,0,0]=4 1612 B13R1.91 CCC(=O)Nc1ccccc1CS 08360b984d72cd7cf3d3818ed0e4f4dd [0,2,0,0,0,1|1,0,0]=4 1613 B13R1.91 CCC(=O)Nc1ccccc1OC 139f33503e102ecbf75ac91b2b84ffa4 [0,2,0,0,0,1|1,0,0]=4 1614 B13R1.91 CCC(=O)Nc1ccccc1SC 1109e0275fdfff2633a64582ee7b1a2e [0,2,0,0,0,1|1,0,0]=4 1615 B13R1.4928 CCC(=O)Nc1c(cccc1Br)F 8cca6b75e5434e4edbd8b9a31118d262 [0,2,0,0,0,1|1,0,0]=4 1616 B13R1.4928 CCC(=O)Nc1c(cccc1Br)O 07dcb463f268448ef777e3ba7c08f161 [0,2,0,0,0,1|1,0,0]=4 1617 B13R1.4928 CCC(=O)Nc1c(cccc1C)C 9e454eefed6d6d43c2535f6601e1c815 [0,2,0,0,0,1|1,0,0]=4 1618 B13R1.4928 CCC(=O)Nc1c(cccc1Cl)C d9bd5e790db1a35e53f44f530ddd5b4b [0,2,0,0,0,1|1,0,0]=4 1619 B13R1.4928 CCC(=O)Nc1c(cccc1Cl)Cl ceed9578f2b8fd676555708a89e0dca7 [0,2,0,0,0,1|1,0,0]=4 1620 B13R1.4928 CCC(=O)Nc1c(cccc1Cl)F 2649e8999bdd748e51b609e643fe572f [0,2,0,0,0,1|1,0,0]=4 1621 B13R1.4928 CCC(=O)Nc1c(cccc1F)C dea658fee5dc189ad3226ce7b63212f3 [0,2,0,0,0,1|1,0,0]=4 1622 B13R1.4928 CCC(=O)Nc1c(cccc1F)F 6f9a2bbcd131bca1e356e755e977d92c [0,2,0,0,0,1|1,0,0]=4 1623 B13R1.4928 CCC(=O)Nc1c(cccc1F)O 0e1fbfcfcbcc9e47a50decdb996e3654 [0,2,0,0,0,1|1,0,0]=4 1624 B13R1.4928 CCC(=O)Nc1c(cccc1I)C abe67204cd03ecb7e34d93e4908c8235 [0,2,0,0,0,1|1,0,0]=4 1625 B13R1.4928 CCC(=O)Nc1c(cccc1I)Cl c7edb70919cc55710ddd72be270a6da7 [0,2,0,0,0,1|1,0,0]=4 1626 B13R1.4928 CCC(=O)Nc1c(cccc1I)F 53eb08649644aa0d0568093ddfa35cba [0,2,0,0,0,1|1,0,0]=4 1627 B13R1.4928 CCC(=O)Nc1c(cccc1I)O 5a2d5cb06b09cea450d90372eb6d3d54 [0,2,0,0,0,1|1,0,0]=4 1628 B13R1.4928 CCC(=O)Nc1c(cccc1O)C ca72d172e0e4622350a3fe134ef62419 [0,2,0,0,0,1|1,0,0]=4 1629 B13R1.4928 CCC(=O)Nc1c(cccc1O)O 35f96b15400fcd63cd6de1aaa896cff1 [0,2,0,0,0,1|1,0,0]=4 1630 B13R1.4928 CCC(=O)Nc1c(cccc1S)F 0c1d6c2c1165152483dad69e812f00ea [0,2,0,0,0,1|1,0,0]=4 1631 B13R1.122 CCNCS(=O)(=O)c1ccccc1 4734c9dfec7c7a0226b16d2c1d46a28d [0,3,0,0,0,0|1,0,0]=4 1632 B13R1.122 O=S(=O)(CNCF)c1ccccc1 705bbba77047d8c0720c2b4d67acc894 [0,3,0,0,0,0|1,0,0]=4 1633 B13R1.122 O=S(=O)(CNCO)c1ccccc1 ce6648ec32556f5fd147c653e82e54f5 [0,3,0,0,0,0|1,0,0]=4 1634 B13R1.26 C#CCNC(C=O)c1ccccc1 29be01926ee157e820c31275b04438d3 [0,3,0,0,0,0|0,0,1]=4 1635 B13R1.26 CCCNC(C=O)c1ccccc1 a9d865eede21a251ca86aba62b2c978e [0,3,0,0,0,0|0,0,1]=4 1636 B13R1.26 CCO/C=C(\C=O)/c1ccccc1 25f4250e235f80b5c88931384da54a3b [0,3,0,0,0,0|1,0,0]=4 1637 B13R1.26 N#CCNC(C=O)c1ccccc1 b9b4c35a5730c0624180c70407d693c1 [0,3,0,0,0,0|0,0,1]=4 1638 B13R1.26 O=C/C(=C\OCF)/c1ccccc1 c95aab4ef0ec92a39993b301751d3d7f [0,3,0,0,0,0|1,0,0]=4 1639 B13R1.26 O=CC(NCCBr)c1ccccc1 4d607c35dd84aa7985340a2c60d4b6cb [0,3,0,0,0,0|0,0,1]=4 1640 B13R1.26 O=CC(NCCF)c1ccccc1 ad6d333ce28a591c6cf045b53cb35ab3 [0,3,0,0,0,0|0,0,1]=4 1641 B13R1.26 O=CC(NCCI)c1ccccc1 2894ee4b322c4a2ae54c87071a51c7de [0,3,0,0,0,0|0,0,1]=4 1642 B13R1.26 O=CC(NCCO)c1ccccc1 a329887f1e1bc65085d7a4d4d820b798 [0,3,0,0,0,0|0,0,1]=4 1643 B13R1.26 O=CC(NCCS)c1ccccc1 1dc6c50ba26b2e40756a4dc367102bc6 [0,3,0,0,0,0|0,0,1]=4 1644 B13R1.405 CCNC(C(=O)N)c1ccccc1 3a9e509bb7a36804140905d5d5255dd9 [0,3,0,0,0,0|0,0,1]=4 1645 B13R1.405 CCNC(C(=O)O)c1ccccc1 2da17e1ce9e7f565721e624ebeefc560 [0,3,0,0,0,0|0,0,1]=4 1646 B13R1.405 CCN[C@@H](C(=O)N)c1ccccc1 8297ff417df1cc6ca16c12f46d118770 [0,3,0,0,0,0|0,0,1]=4 1647 B13R1.405 CCN[C@@H](C(=O)O)c1ccccc1 bbb5413322df4340130ea9a37ea31842 [0,3,0,0,0,0|0,0,1]=4 1648 B13R1.405 CCN[C@H](C(=O)N)c1ccccc1 d3cf846f3a8b811ad72aff28ee83c3c0 [0,3,0,0,0,0|0,0,1]=4 1649 B13R1.405 CCN[C@H](C(=O)O)c1ccccc1 3357d9db2dcc627327e25ebf1f9eafed [0,3,0,0,0,0|0,0,1]=4 1650 B13R1.405 NC(=O)C(NCF)c1ccccc1 94caeda65eeed342640007ed64a73f05 [0,3,0,0,0,0|0,0,1]=4 1651 B13R1.405 NC(=O)C(NCO)c1ccccc1 f9605ac1c305b368b46ec3b1b3110e4f [0,3,0,0,0,0|0,0,1]=4 1652 B13R1.405 NC(=O)[C@@H](NCF)c1ccccc1 cb010097f35f94b5dfc49acd8fdebc46 [0,3,0,0,0,0|0,0,1]=4 1653 B13R1.405 NC(=O)[C@@H](NCO)c1ccccc1 51ad7bae4199bea1ce245323e7eeae6c [0,3,0,0,0,0|0,0,1]=4 1654 B13R1.405 NC(=O)[C@H](NCF)c1ccccc1 3db3bf3958198731e3764656c73ea3b3 [0,3,0,0,0,0|0,0,1]=4 1655 B13R1.405 NC(=O)[C@H](NCO)c1ccccc1 c444554e2337359095f30dad39050792 [0,3,0,0,0,0|0,0,1]=4 1656 B13R1.405 O=C(O)C(NCF)c1ccccc1 f87294065061ac670b7b98475c0c3305 [0,3,0,0,0,0|0,0,1]=4 1657 B13R1.405 O=C(O)C(NCO)c1ccccc1 4ae7101686a7f2b414f8cb3c5615274c [0,3,0,0,0,0|0,0,1]=4 1658 B13R1.405 O=C(O)[C@@H](NCF)c1ccccc1 48d09161f902cbdc22e5f35f493fdde7 [0,3,0,0,0,0|0,0,1]=4 1659 B13R1.405 O=C(O)[C@@H](NCO)c1ccccc1 ba8eabe17018ad22490c7c850008370b [0,3,0,0,0,0|0,0,1]=4 1660 B13R1.405 O=C(O)[C@H](NCF)c1ccccc1 12170a0dd494513e71bb9cf266a09a69 [0,3,0,0,0,0|0,0,1]=4 1661 B13R1.405 O=C(O)[C@H](NCO)c1ccccc1 f7474bd1c72a2d1b5e0ad9a2a2e446d9 [0,3,0,0,0,0|0,0,1]=4 1662 B13R1.17 C#CCNC(=O)c1cc[n+](cc1)[O-] 60e9298b5d398d11c8df030acba6365b [0,3,0,0,0,0|1,0,0]=4 1663 B13R1.17 C#CCNC(=O)c1ccc(=O)oc1 6c1b1ec3970152286fd5eb66778722ab [0,3,0,0,0,0|1,0,0]=4 1664 B13R1.17 C#CCNC(=O)c1ccc(cc1)Br f04601285ecaed0341a94a8e558bda83 [0,3,0,0,0,0|0,0,0]=3 1665 B13R1.17 C#CCNC(=O)c1ccc(cc1)C 33dd38dbd0d03b4a94ff2eab82036ea5 [0,3,0,0,0,0|0,0,0]=3 1666 B13R1.17 C#CCNC(=O)c1ccc(cc1)Cl 14c9afb23672ca716f77313dc64195d0 [0,3,0,0,0,0|0,0,0]=3 1667 B13R1.17 C#CCNC(=O)c1ccc(cc1)F 5ee99a9b559f0f3fc4cb223a56d2787a [0,3,0,0,0,0|0,0,0]=3 1668 B13R1.17 C#CCNC(=O)c1ccc(cc1)I d089525cf3ae2dc1f7d903b91d29c936 [0,3,0,0,0,0|0,0,0]=3 1669 B13R1.17 C#CCNC(=O)c1ccc(cc1)O 68d94a9a4954defeee8f17d4a150ca5e [0,3,0,0,0,0|0,0,0]=3 1670 B13R1.17 C#CCNC(=O)c1ccc(cc1)S a9e6a0db10d715d916b70b3a541c9da9 [0,3,0,0,0,0|0,0,0]=3 1671 B13R1.17 C#CCNC(=O)c1ccc(cn1)Br 99eec082b13a743b8ea3d7ba41cd03ae [0,3,0,0,0,0|1,0,0]=4 1672 B13R1.17 C#CCNC(=O)c1ccc(cn1)C e725fc2cfef91e0caf2f2ca80f89b41d [0,3,0,0,0,0|1,0,0]=4 1673 B13R1.17 C#CCNC(=O)c1ccc(cn1)Cl 11953018daf428622122d9cfd3bd97c3 [0,3,0,0,0,0|1,0,0]=4 1674 B13R1.17 C#CCNC(=O)c1ccc(cn1)F 327c165503cd2b6f598b81710ecbde17 [0,3,0,0,0,0|1,0,0]=4 1675 B13R1.17 C#CCNC(=O)c1ccc(cn1)I e00ba1476c636cbad42704a6bbd3f1c8 [0,3,0,0,0,0|1,0,0]=4 1676 B13R1.17 C#CCNC(=O)c1ccc(cn1)O 7b103441e122011dc405a1a7a177b3a8 [0,3,0,0,0,0|1,0,0]=4 1677 B13R1.17 C#CCNC(=O)c1ccc(nc1)Br e989dc3f1386fac7b09e2bedf37346ec [0,3,0,0,0,0|1,0,0]=4 1678 B13R1.17 C#CCNC(=O)c1ccc(nc1)C 7c149734d86a5368748c7a62933f963a [0,3,0,0,0,0|1,0,0]=4 1679 B13R1.17 C#CCNC(=O)c1ccc(nc1)Cl 890a102999bb686ce51b652510dbd3d0 [0,3,0,0,0,0|1,0,0]=4 1680 B13R1.17 C#CCNC(=O)c1ccc(nc1)F df05a52a56d20da2aeda9a6ba7d07fa7 [0,3,0,0,0,0|1,0,0]=4 1681 B13R1.17 C#CCNC(=O)c1ccc(nc1)I 0abf38c269bd005b2da4bd74deab9e52 [0,3,0,0,0,0|1,0,0]=4 1682 B13R1.17 C#CCNC(=O)c1ccc(nc1)O 433633b7febbb758ab7dd11a4f2989cf [0,3,0,0,0,0|1,0,0]=4 1683 B13R1.17 C#CCNC(=O)c1ccc(nc1)S 9d2d208548b40464868f6c40026b0a1d [0,3,0,0,0,0|1,0,0]=4 1684 B13R1.17 CCCNC(=O)c1cc[n+](cc1)[O-] b482907429fc03e50fd8365d13eaad25 [0,3,0,0,0,0|1,0,0]=4 1685 B13R1.17 CCCNC(=O)c1ccc(=O)oc1 51a0d730f783331c684723a1db798e9e [0,3,0,0,0,0|1,0,0]=4 1686 B13R1.17 CCCNC(=O)c1ccc(cc1)Br 2b2ea3f4f0df7b35ba9fcdbb5fec24b2 [0,3,0,0,0,0|0,0,0]=3 1687 B13R1.17 CCCNC(=O)c1ccc(cc1)C a2e242a871b61519afce9ad38c70e206 [0,3,0,0,0,0|0,0,0]=3 1688 B13R1.17 CCCNC(=O)c1ccc(cc1)Cl 721252a991e3bdae56280b955efbd9d7 [0,3,0,0,0,0|0,0,0]=3 1689 B13R1.17 CCCNC(=O)c1ccc(cc1)F 635c9176c539dbca6324e6f4cd22bec8 [0,3,0,0,0,0|0,0,0]=3 1690 B13R1.17 CCCNC(=O)c1ccc(cc1)I cbd97e8853568f71b301ac00a1ad92ae [0,3,0,0,0,0|0,0,0]=3 1691 B13R1.17 CCCNC(=O)c1ccc(cc1)O 924debdb1818c8f5e0cc8e59eb808dc9 [0,3,0,0,0,0|0,0,0]=3 1692 B13R1.17 CCCNC(=O)c1ccc(cc1)S dfa96b424491dc69bf7dfd1ca016f591 [0,3,0,0,0,0|0,0,0]=3 1693 B13R1.17 CCCNC(=O)c1ccc(cn1)Br b2c285d0c9d6693831d09fee0f93bc56 [0,3,0,0,0,0|1,0,0]=4 1694 B13R1.17 CCCNC(=O)c1ccc(cn1)C b22c76f6a86a8bc3f93102d324fa8426 [0,3,0,0,0,0|1,0,0]=4 1695 B13R1.17 CCCNC(=O)c1ccc(cn1)Cl a5e8e397aefb81b07569119a7dabb28c [0,3,0,0,0,0|1,0,0]=4 1696 B13R1.17 CCCNC(=O)c1ccc(cn1)F e94e65f514d64ee8e3663078d7c953a4 [0,3,0,0,0,0|1,0,0]=4 1697 B13R1.17 CCCNC(=O)c1ccc(cn1)I 454e8725cb5aedc375aaf7539e6b6959 [0,3,0,0,0,0|1,0,0]=4 1698 B13R1.17 CCCNC(=O)c1ccc(cn1)O 1d7a4c1ffa36c9b85bac266aea30787a [0,3,0,0,0,0|1,0,0]=4 1699 B13R1.17 CCCNC(=O)c1ccc(nc1)Br f45999a48e61d2193eaaa3da6f009b53 [0,3,0,0,0,0|1,0,0]=4 1700 B13R1.17 CCCNC(=O)c1ccc(nc1)C f3db66e2abaa47a7e3bd9899f7e01037 [0,3,0,0,0,0|1,0,0]=4 1701 B13R1.17 CCCNC(=O)c1ccc(nc1)Cl 43f18fb18b2b6eb1e2b90ea01925db4f [0,3,0,0,0,0|1,0,0]=4 1702 B13R1.17 CCCNC(=O)c1ccc(nc1)F 85b13d5be1f476598ee5e357766a2256 [0,3,0,0,0,0|1,0,0]=4 1703 B13R1.17 CCCNC(=O)c1ccc(nc1)I 1c26117c8c0b9f652c172f94dbf6760f [0,3,0,0,0,0|1,0,0]=4 1704 B13R1.17 CCCNC(=O)c1ccc(nc1)O dceaaf928e47eb711f7177086d444a83 [0,3,0,0,0,0|1,0,0]=4 1705 B13R1.17 CCCNC(=O)c1ccc(nc1)S b817ad5f34ebb29d5e4994ec1ae733ba [0,3,0,0,0,0|1,0,0]=4 1706 B13R1.17 CCNCC(=O)c1ccc(cc1)Br 9af3410033487e6aec49e88b2245f366 [0,3,0,0,0,0|0,0,0]=3 1707 B13R1.17 CCNCC(=O)c1ccc(cc1)C 23c4834c9907c2a4931068c67d774dd3 [0,3,0,0,0,0|0,0,0]=3 1708 B13R1.17 CCNCC(=O)c1ccc(cc1)Cl 542c11291eb3e5f63984dce3fe41dde4 [0,3,0,0,0,0|0,0,0]=3 1709 B13R1.17 CCOCC(=O)c1ccc(cc1)Br 47eacd55be2f23608ed6c3b6a8445d37 [0,3,0,0,0,0|1,0,0]=4 1710 B13R1.17 CCOCC(=O)c1ccc(cc1)C 36ffa2f5f7f754f94d83ea2343c119d1 [0,3,0,0,0,0|1,0,0]=4 1711 B13R1.17 CCOCC(=O)c1ccc(cc1)Cl 2c446b5001696a9515a3214052597d43 [0,3,0,0,0,0|1,0,0]=4 1712 B13R1.17 CCOCC(=O)c1ccc(cc1)F 31de1ff2de4c9ed423101bd84e67f476 [0,3,0,0,0,0|1,0,0]=4 1713 B13R1.17 CCOCC(=O)c1ccc(cc1)I 43155eca4da70bae7abe5712052bc9cc [0,3,0,0,0,0|1,0,0]=4 1714 B13R1.17 Cc1ccc(cc1)C(=O)CNC#N 0f17b87f019840c05e491902c30fef2e [0,3,0,0,0,0|0,0,1]=4 1715 B13R1.17 Cc1ccc(cc1)C(=O)CNC=O a62517a6f1c1d9c74198786d050af8a7 [0,3,0,0,0,0|0,0,1]=4 1716 B13R1.17 Cc1ccc(cc1)C(=O)CNCF a5ba48dd912adfd163b609b861e17de8 [0,3,0,0,0,0|0,0,0]=3 1717 B13R1.17 Cc1ccc(cc1)C(=O)CNCO 1afe147b29c697e1cd559e1a0174a7ad [0,3,0,0,0,0|0,0,0]=3 1718 B13R1.17 Cc1ccc(cc1)C(=O)COCF abcbfe1b09d5d3c6f2495bbcee153182 [0,3,0,0,0,0|1,0,0]=4 1719 B13R1.17 Cc1ccc(cc1)C(=O)NCC#N fc94ac17ecd2095ef619b40f1240b06f [0,3,0,0,0,0|0,0,0]=3 1720 B13R1.17 Cc1ccc(cc1)C(=O)NCCBr fc5d4e46dcbdd9a3f3375d900e15aad2 [0,3,0,0,0,0|0,0,0]=3 1721 B13R1.17 Cc1ccc(cc1)C(=O)NCCF b94cb12cfb4accfa2ca6b1fb00644782 [0,3,0,0,0,0|0,0,0]=3 1722 B13R1.17 Cc1ccc(cc1)C(=O)NCCI 48edc767db43a06392a3d9249bd185f5 [0,3,0,0,0,0|0,0,0]=3 1723 B13R1.17 Cc1ccc(cc1)C(=O)NCCO e679dc907138681b877195b58a2ab314 [0,3,0,0,0,0|0,0,0]=3 1724 B13R1.17 Cc1ccc(cc1)C(=O)NCCS cb1d4bbc8cc8e9d06c155f56e2c0ee08 [0,3,0,0,0,0|0,0,0]=3 1725 B13R1.17 Cc1ccc(cn1)C(=O)NCC#N f81b40fc0404c34a61dee871bd5fe8b5 [0,3,0,0,0,0|1,0,0]=4 1726 B13R1.17 Cc1ccc(cn1)C(=O)NCCBr a1953d04d941ffb6be2fc3ff6c0cb23d [0,3,0,0,0,0|1,0,0]=4 1727 B13R1.17 Cc1ccc(cn1)C(=O)NCCF c51bef338c3c1d5146605ad6550ffcf7 [0,3,0,0,0,0|1,0,0]=4 1728 B13R1.17 Cc1ccc(cn1)C(=O)NCCI 6cd6d2958d243e1b5a3118c89b6c11c1 [0,3,0,0,0,0|1,0,0]=4 1729 B13R1.17 Cc1ccc(cn1)C(=O)NCCO 5a30155d87b972bc370981ff99a44043 [0,3,0,0,0,0|1,0,0]=4 1730 B13R1.17 Cc1ccc(cn1)C(=O)NCCS 4627d38267a0a7325a696b623eb7ee8d [0,3,0,0,0,0|1,0,0]=4 1731 B13R1.17 Cc1ccc(nc1)C(=O)NCC#N 444cc5a20d0af33addcec8ca0f249e7a [0,3,0,0,0,0|1,0,0]=4 1732 B13R1.17 Cc1ccc(nc1)C(=O)NCCBr 4a95031757718e12b7c9fd921fafa1c9 [0,3,0,0,0,0|1,0,0]=4 1733 B13R1.17 Cc1ccc(nc1)C(=O)NCCF f7bcd94826705fa7f84cb8f283bb11ed [0,3,0,0,0,0|1,0,0]=4 1734 B13R1.17 Cc1ccc(nc1)C(=O)NCCI bed029eaf83b3e91c99075038e0f4393 [0,3,0,0,0,0|1,0,0]=4 1735 B13R1.17 Cc1ccc(nc1)C(=O)NCCO 84eea7f210ce15f998c1e08765c2b464 [0,3,0,0,0,0|1,0,0]=4 1736 B13R1.17 Cc1ccc(nc1)C(=O)NCCS fc84bc1876345c5d9d8500eccb770004 [0,3,0,0,0,0|1,0,0]=4 1737 B13R1.17 N#CCNC(=O)c1cc[n+](cc1)[O-] f5d6c627691288691517f16ba0b3f6ff [0,3,0,0,0,0|1,0,0]=4 1738 B13R1.17 N#CCNC(=O)c1ccc(=O)oc1 41740ceec039d7d73ce3396aedbf2758 [0,3,0,0,0,0|1,0,0]=4 1739 B13R1.17 N#CCNC(=O)c1ccc(cc1)Br 331b0b5ffd770f52be0fb01acf409351 [0,3,0,0,0,0|0,0,0]=3 1740 B13R1.17 N#CCNC(=O)c1ccc(cc1)Cl d5280b2fbf5c02f05c68ac4dbac3da51 [0,3,0,0,0,0|0,0,0]=3 1741 B13R1.17 N#CCNC(=O)c1ccc(cc1)F 2642a9ac006bc97818048fd2838495d4 [0,3,0,0,0,0|0,0,0]=3 1742 B13R1.17 N#CCNC(=O)c1ccc(cc1)I c02a6754bf01290eed5cf292f8b7e5ab [0,3,0,0,0,0|0,0,0]=3 1743 B13R1.17 N#CCNC(=O)c1ccc(cc1)O 6fc49c57254689e0300da17add22dc34 [0,3,0,0,0,0|0,0,0]=3 1744 B13R1.17 N#CCNC(=O)c1ccc(cc1)S 3154854d508988921d603ea195eac4da [0,3,0,0,0,0|0,0,0]=3 1745 B13R1.17 N#CCNC(=O)c1ccc(cn1)Br 4dcf1f97b666b0d94dba0d0cfd669a9d [0,3,0,0,0,0|1,0,0]=4 1746 B13R1.17 N#CCNC(=O)c1ccc(cn1)Cl 1fad3d59d9c28f5eb25c2f20a80ac947 [0,3,0,0,0,0|1,0,0]=4 1747 B13R1.17 N#CCNC(=O)c1ccc(cn1)F 65d556ef8fff441bc2eb9795a5db8bf4 [0,3,0,0,0,0|1,0,0]=4 1748 B13R1.17 N#CCNC(=O)c1ccc(cn1)I 2e69fb4aca445e389c07c1de4d821cbd [0,3,0,0,0,0|1,0,0]=4 1749 B13R1.17 N#CCNC(=O)c1ccc(cn1)O cf4d1cd0084485f5d9e23b176b5af783 [0,3,0,0,0,0|1,0,0]=4 1750 B13R1.17 N#CCNC(=O)c1ccc(nc1)Br 999e6fdc91da43b66471c741d41e7225 [0,3,0,0,0,0|1,0,0]=4 1751 B13R1.17 N#CCNC(=O)c1ccc(nc1)Cl 287b96becff07474f9e38f757d1195e4 [0,3,0,0,0,0|1,0,0]=4 1752 B13R1.17 N#CCNC(=O)c1ccc(nc1)F 0d1c8ed51ec89dfdaf8f874869444b9c [0,3,0,0,0,0|1,0,0]=4 1753 B13R1.17 N#CCNC(=O)c1ccc(nc1)I 3a320ec47b7e90e535985fc62d525b70 [0,3,0,0,0,0|1,0,0]=4 1754 B13R1.17 N#CCNC(=O)c1ccc(nc1)O 6414b0922d100086818a99b9c127d3d5 [0,3,0,0,0,0|1,0,0]=4 1755 B13R1.17 N#CCNC(=O)c1ccc(nc1)S 7edbc4f494463f366995338681a962b1 [0,3,0,0,0,0|1,0,0]=4 1756 B13R1.17 N#CNCC(=O)c1ccc(cc1)Br 1db1221c99e3f0b5ced1c02877d4c6aa [0,3,0,0,0,0|0,0,1]=4 1757 B13R1.17 N#CNCC(=O)c1ccc(cc1)Cl 92d59cefdcc77baefe15c614029c81e2 [0,3,0,0,0,0|0,0,1]=4 1758 B13R1.17 N#CNCC(=O)c1ccc(cc1)F fa77b0feab6544bc7a57d9ae69b8d8ba [0,3,0,0,0,0|0,0,1]=4 1759 B13R1.17 N#CNCC(=O)c1ccc(cc1)I 6dba276a584b12a8ec369e5931099996 [0,3,0,0,0,0|0,0,1]=4 1760 B13R1.17 O=C(CNCF)c1ccc(cc1)Br d417f2f5f1e6fa9fefd02f44bc329b54 [0,3,0,0,0,0|0,0,0]=3 1761 B13R1.17 O=C(CNCF)c1ccc(cc1)Cl 201c4ea6a6566c52a06cabe058146b55 [0,3,0,0,0,0|0,0,0]=3 1762 B13R1.17 O=C(CNCO)c1ccc(cc1)Br f286bb513f70e2e32c9ddf154a31fd4f [0,3,0,0,0,0|0,0,0]=3 1763 B13R1.17 O=C(CNCO)c1ccc(cc1)Cl b5103e24b33ce1159752e3d4a1059b6a [0,3,0,0,0,0|0,0,0]=3 1764 B13R1.17 O=C(COCF)c1ccc(cc1)Br 5c1a09552198791cba0f0d32efa990a0 [0,3,0,0,0,0|1,0,0]=4 1765 B13R1.17 O=C(COCF)c1ccc(cc1)Cl 6c45ae45422e99ed882384433d358888 [0,3,0,0,0,0|1,0,0]=4 1766 B13R1.17 O=C(COCF)c1ccc(cc1)F 3e93a9f3f55356690976a6682f7c8f44 [0,3,0,0,0,0|1,0,0]=4 1767 B13R1.17 O=C(COCF)c1ccc(cc1)I 257ac4805851220b9d4d9ab7e6abb77f [0,3,0,0,0,0|1,0,0]=4 1768 B13R1.17 O=C(NCCBr)c1cc[n+](cc1)[O-] af8366cc2fe28c07e7827af8526ecf11 [0,3,0,0,0,0|1,0,0]=4 1769 B13R1.17 O=C(NCCBr)c1ccc(=O)oc1 e58ce30e9188bc5134f32b7064790930 [0,3,0,0,0,0|1,0,0]=4 1770 B13R1.17 O=C(NCCBr)c1ccc(cc1)Br ccb7de42b29e47bbfd4f9dad5f494a66 [0,3,0,0,0,0|0,0,0]=3 1771 B13R1.17 O=C(NCCBr)c1ccc(cc1)F 64192b6f5c8ab090902761018b82265a [0,3,0,0,0,0|0,0,0]=3 1772 B13R1.17 O=C(NCCBr)c1ccc(cc1)I a3c4878f86d47177751a7b44332c235d [0,3,0,0,0,0|0,0,0]=3 1773 B13R1.17 O=C(NCCBr)c1ccc(cc1)O 5c21fc21720bbb752c7c02fbc384d85e [0,3,0,0,0,0|0,0,0]=3 1774 B13R1.17 O=C(NCCBr)c1ccc(cc1)S 72ad8cd2c5e0e98c0b3aed3e2f2bd40e [0,3,0,0,0,0|0,0,0]=3 1775 B13R1.17 O=C(NCCBr)c1ccc(cn1)Br 04efe67f9e47a7ba06504ca118a287be [0,3,0,0,0,0|1,0,0]=4 1776 B13R1.17 O=C(NCCBr)c1ccc(cn1)Cl 961bd2e660665fa4625763f93499574a [0,3,0,0,0,0|1,0,0]=4 1777 B13R1.17 O=C(NCCBr)c1ccc(cn1)F 7a92b9a36d4af55b781fe81b5e0b445d [0,3,0,0,0,0|1,0,0]=4 1778 B13R1.17 O=C(NCCBr)c1ccc(cn1)I 507951a8888031bfb6d9d49e3b934ac3 [0,3,0,0,0,0|1,0,0]=4 1779 B13R1.17 O=C(NCCBr)c1ccc(cn1)O 1dc06546da25cde9fa6dcab7ffe1cf23 [0,3,0,0,0,0|1,0,0]=4 1780 B13R1.17 O=C(NCCBr)c1ccc(nc1)Br 771c1db0dbf01edf14584a8bb48a1638 [0,3,0,0,0,0|1,0,0]=4 1781 B13R1.17 O=C(NCCBr)c1ccc(nc1)Cl c6479dacd471ef86d7a4204c478bd4b3 [0,3,0,0,0,0|1,0,0]=4 1782 B13R1.17 O=C(NCCBr)c1ccc(nc1)F 12092673d8ac42065beda408bff974c2 [0,3,0,0,0,0|1,0,0]=4 1783 B13R1.17 O=C(NCCBr)c1ccc(nc1)I f7b13d6d976934206a79f83ee1a938b0 [0,3,0,0,0,0|1,0,0]=4 1784 B13R1.17 O=C(NCCBr)c1ccc(nc1)O 7f54785fb7717f615d25fa3626369a5c [0,3,0,0,0,0|1,0,0]=4 1785 B13R1.17 O=C(NCCBr)c1ccc(nc1)S d9a39c12758cac89d5b4a1d1a335a036 [0,3,0,0,0,0|1,0,0]=4 1786 B13R1.17 O=C(NCCF)c1cc[n+](cc1)[O-] e3abcabb58c9866065d841db0f28d983 [0,3,0,0,0,0|1,0,0]=4 1787 B13R1.17 O=C(NCCF)c1ccc(=O)oc1 222e9f14e30a1ebc80b7823a1f4412a0 [0,3,0,0,0,0|1,0,0]=4 1788 B13R1.17 O=C(NCCF)c1ccc(cc1)Br 64120bafa0446097edc6f1f94baa172f [0,3,0,0,0,0|0,0,0]=3 1789 B13R1.17 O=C(NCCF)c1ccc(cc1)Cl 6e673df9c85473bafd4dbaf726f21b22 [0,3,0,0,0,0|0,0,0]=3 1790 B13R1.17 O=C(NCCF)c1ccc(cc1)F 355cc5d2e992cf662cdc9e7245a936ae [0,3,0,0,0,0|0,0,0]=3 1791 B13R1.17 O=C(NCCF)c1ccc(cc1)I 6ce4c915539ff70abeff38d38a0c3ec4 [0,3,0,0,0,0|0,0,0]=3 1792 B13R1.17 O=C(NCCF)c1ccc(cc1)O 3aaabb987c81b9a7c8d5e8e56132e072 [0,3,0,0,0,0|0,0,0]=3 1793 B13R1.17 O=C(NCCF)c1ccc(cc1)S cfc28cabeb510565a9021eba1937d3fd [0,3,0,0,0,0|0,0,0]=3 1794 B13R1.17 O=C(NCCF)c1ccc(cn1)Br 1d8ecbbd62538459caea168cb0906b96 [0,3,0,0,0,0|1,0,0]=4 1795 B13R1.17 O=C(NCCF)c1ccc(cn1)Cl 9c8030522bfab6d5a0b4e26c76e8929c [0,3,0,0,0,0|1,0,0]=4 1796 B13R1.17 O=C(NCCF)c1ccc(cn1)F f6e24beb333b14f08cd08d26f5ff7eca [0,3,0,0,0,0|1,0,0]=4 1797 B13R1.17 O=C(NCCF)c1ccc(cn1)I 52fba61bd758f12c109b233eaf2f9149 [0,3,0,0,0,0|1,0,0]=4 1798 B13R1.17 O=C(NCCF)c1ccc(cn1)O 6b9fab5fb2f56ae97294a4a720e47dfb [0,3,0,0,0,0|1,0,0]=4 1799 B13R1.17 O=C(NCCF)c1ccc(nc1)Br e370a61b18577d91c35b1977752b012d [0,3,0,0,0,0|1,0,0]=4 1800 B13R1.17 O=C(NCCF)c1ccc(nc1)Cl b80915ce9129fb5aa7d260d499109463 [0,3,0,0,0,0|1,0,0]=4 1801 B13R1.17 O=C(NCCF)c1ccc(nc1)F 01fe4605bb3751b0502945f1b69513a9 [0,3,0,0,0,0|1,0,0]=4 1802 B13R1.17 O=C(NCCF)c1ccc(nc1)I 711f3f5c0d8ea1b33ecffc269b1f5a00 [0,3,0,0,0,0|1,0,0]=4 1803 B13R1.17 O=C(NCCF)c1ccc(nc1)O 07983b13e9e4912efae47852adb78a0a [0,3,0,0,0,0|1,0,0]=4 1804 B13R1.17 O=C(NCCF)c1ccc(nc1)S c0dfffde10a801ef0f70c6791492c18b [0,3,0,0,0,0|1,0,0]=4 1805 B13R1.17 O=C(NCCI)c1cc[n+](cc1)[O-] 0e492b38aaf426a59ae048b5a4ac3009 [0,3,0,0,0,0|1,0,0]=4 1806 B13R1.17 O=C(NCCI)c1ccc(=O)oc1 5dc0dcc89e33fde4bab5bf0c2ec0e8ae [0,3,0,0,0,0|1,0,0]=4 1807 B13R1.17 O=C(NCCI)c1ccc(cc1)Br 95333da9ce435174d79ad7789974e554 [0,3,0,0,0,0|0,0,0]=3 1808 B13R1.17 O=C(NCCI)c1ccc(cc1)Cl 2809c43c652e6cc520a7c5dfa98df644 [0,3,0,0,0,0|0,0,0]=3 1809 B13R1.17 O=C(NCCI)c1ccc(cc1)F c6cec84856de780d523aab6a5268812c [0,3,0,0,0,0|0,0,0]=3 1810 B13R1.17 O=C(NCCI)c1ccc(cc1)I 73dd930fb5758a80358bd6ace00fffc7 [0,3,0,0,0,0|0,0,0]=3 1811 B13R1.17 O=C(NCCI)c1ccc(cc1)O 20f8cc843ef458b13b4418c1f507a6ca [0,3,0,0,0,0|0,0,0]=3 1812 B13R1.17 O=C(NCCI)c1ccc(cc1)S f56cd1f6deb17b863e80133d72d000a4 [0,3,0,0,0,0|0,0,0]=3 1813 B13R1.17 O=C(NCCI)c1ccc(cn1)Br 0d44cbf1b2ac8b9dca2fb182fe472b50 [0,3,0,0,0,0|1,0,0]=4 1814 B13R1.17 O=C(NCCI)c1ccc(cn1)Cl e58014037ab6cb59c08bda9bf7d29985 [0,3,0,0,0,0|1,0,0]=4 1815 B13R1.17 O=C(NCCI)c1ccc(cn1)F bf9d2d324ebc1d4332e5ec3a714f8427 [0,3,0,0,0,0|1,0,0]=4 1816 B13R1.17 O=C(NCCI)c1ccc(cn1)I b57f664760e735d091ba9855d3b09890 [0,3,0,0,0,0|1,0,0]=4 1817 B13R1.17 O=C(NCCI)c1ccc(cn1)O dda06d27bd0e4de14d29d3285ed574a0 [0,3,0,0,0,0|1,0,0]=4 1818 B13R1.17 O=C(NCCI)c1ccc(nc1)Br 2cefaf7ae9e544398dd66553ca3c23a6 [0,3,0,0,0,0|1,0,0]=4 1819 B13R1.17 O=C(NCCI)c1ccc(nc1)Cl 0119c73b0d3b663c6aedacc74cc72641 [0,3,0,0,0,0|1,0,0]=4 1820 B13R1.17 O=C(NCCI)c1ccc(nc1)F a945c5cc1a8592b4f83fb4a6f565c4f4 [0,3,0,0,0,0|1,0,0]=4 1821 B13R1.17 O=C(NCCI)c1ccc(nc1)I d7a4a8427f8e2bfa27f4185772e4b43b [0,3,0,0,0,0|1,0,0]=4 1822 B13R1.17 O=C(NCCI)c1ccc(nc1)O faed52fffd3ed9a473a390d812393b52 [0,3,0,0,0,0|1,0,0]=4 1823 B13R1.17 O=C(NCCI)c1ccc(nc1)S d992abf666cf04e3bdb1b25202412a26 [0,3,0,0,0,0|1,0,0]=4 1824 B13R1.17 O=C(NCCO)c1cc[n+](cc1)[O-] 7ee23d93ffef7e47026db9af0b477c33 [0,3,0,0,0,0|1,0,0]=4 1825 B13R1.17 O=C(NCCO)c1ccc(=O)oc1 dac7120b41226781c1c1fb74cf94f28e [0,3,0,0,0,0|1,0,0]=4 1826 B13R1.17 O=C(NCCO)c1ccc(cc1)Br 01659753ff256d873dc9af3dc435b68e [0,3,0,0,0,0|0,0,0]=3 1827 B13R1.17 O=C(NCCO)c1ccc(cc1)Cl 546647b469639f30508d3e0d5d42897b [0,3,0,0,0,0|0,0,0]=3 1828 B13R1.17 O=C(NCCO)c1ccc(cc1)F 7f3e6b18d32dd608a86d0eaf7f2559d5 [0,3,0,0,0,0|0,0,0]=3 1829 B13R1.17 O=C(NCCO)c1ccc(cc1)I 6a846efde2f3f175f3e4a92c21b48138 [0,3,0,0,0,0|0,0,0]=3 1830 B13R1.17 O=C(NCCO)c1ccc(cc1)O 4dd8cc3a1cfd9aef244793bd801c3e5e [0,3,0,0,0,0|0,0,0]=3 1831 B13R1.17 O=C(NCCO)c1ccc(cc1)S 573d34b8bc6d49d25eae6022903c99b4 [0,3,0,0,0,0|0,0,0]=3 1832 B13R1.17 O=C(NCCO)c1ccc(cn1)Br 4385105692ceb37e3427fde515784788 [0,3,0,0,0,0|1,0,0]=4 1833 B13R1.17 O=C(NCCO)c1ccc(cn1)Cl 8421e75c9b3b123a62f9b9530a3a2858 [0,3,0,0,0,0|1,0,0]=4 1834 B13R1.17 O=C(NCCO)c1ccc(cn1)F 6a430f7e3e14e28112f3078836bccd8e [0,3,0,0,0,0|1,0,0]=4 1835 B13R1.17 O=C(NCCO)c1ccc(cn1)I e1cde39f950f7de51fe61d0b458c8717 [0,3,0,0,0,0|1,0,0]=4 1836 B13R1.17 O=C(NCCO)c1ccc(cn1)O 06d2f1ed27ceca5d9ec2c069b2bda354 [0,3,0,0,0,0|1,0,0]=4 1837 B13R1.17 O=C(NCCO)c1ccc(nc1)Br 3de9e7094cf6d1beed7c208d20c2a920 [0,3,0,0,0,0|1,0,0]=4 1838 B13R1.17 O=C(NCCO)c1ccc(nc1)Cl dc3b6016fb2b598e1e537c84b382ded9 [0,3,0,0,0,0|1,0,0]=4 1839 B13R1.17 O=C(NCCO)c1ccc(nc1)F 4c7cbf933e2a8c189a3e2525726e1a6d [0,3,0,0,0,0|1,0,0]=4 1840 B13R1.17 O=C(NCCO)c1ccc(nc1)I 5f30f59a182c1ff6badcf41726d06fd7 [0,3,0,0,0,0|1,0,0]=4 1841 B13R1.17 O=C(NCCO)c1ccc(nc1)O 6d49d5ca798b1145954a6a018817a7c8 [0,3,0,0,0,0|1,0,0]=4 1842 B13R1.17 O=C(NCCO)c1ccc(nc1)S 8c28cf95f80ed736f20b14e0437b8098 [0,3,0,0,0,0|1,0,0]=4 1843 B13R1.17 O=C(NCCS)c1cc[n+](cc1)[O-] 392addbb969deb5e20b7981f9fa519d0 [0,3,0,0,0,0|1,0,0]=4 1844 B13R1.17 O=C(NCCS)c1ccc(=O)oc1 1ad6620891a41f818acb93093f8e5b70 [0,3,0,0,0,0|1,0,0]=4 1845 B13R1.17 O=C(NCCS)c1ccc(cc1)Br 5ca643774f8861944e1a0de1184bdeb8 [0,3,0,0,0,0|0,0,0]=3 1846 B13R1.17 O=C(NCCS)c1ccc(cc1)Cl f524aea3239747289096a6c383c6ba25 [0,3,0,0,0,0|0,0,0]=3 1847 B13R1.17 O=C(NCCS)c1ccc(cc1)F 86c733fb41862241004714912355a3d8 [0,3,0,0,0,0|0,0,0]=3 1848 B13R1.17 O=C(NCCS)c1ccc(cc1)I 9bb2c5b82d5b7bd9c343b6a5c8f38527 [0,3,0,0,0,0|0,0,0]=3 1849 B13R1.17 O=C(NCCS)c1ccc(cc1)O b7c72a664c4a8e10a0dfd5be8a90469b [0,3,0,0,0,0|0,0,0]=3 1850 B13R1.17 O=C(NCCS)c1ccc(cc1)S 45b2ace6799ca44c786a5ca8778aa1d8 [0,3,0,0,0,0|0,0,0]=3 1851 B13R1.17 O=C(NCCS)c1ccc(cn1)Br 58332c5b1b7a863b6e08c138eb31c183 [0,3,0,0,0,0|1,0,0]=4 1852 B13R1.17 O=C(NCCS)c1ccc(cn1)Cl 34a118f766e275b5a70aa5a34721c5c9 [0,3,0,0,0,0|1,0,0]=4 1853 B13R1.17 O=C(NCCS)c1ccc(cn1)F 177ea22ac7dc243fed53f5432d36df37 [0,3,0,0,0,0|1,0,0]=4 1854 B13R1.17 O=C(NCCS)c1ccc(cn1)I 0ddf614d7f08687df5d615828be7f4cb [0,3,0,0,0,0|1,0,0]=4 1855 B13R1.17 O=C(NCCS)c1ccc(cn1)O 632b6a7fa26f42e6b04c1347627017bb [0,3,0,0,0,0|1,0,0]=4 1856 B13R1.17 O=C(NCCS)c1ccc(nc1)Br 6b71f63f3b463b9bae6059a32da08b7d [0,3,0,0,0,0|1,0,0]=4 1857 B13R1.17 O=C(NCCS)c1ccc(nc1)Cl e9b6390d91733776d2a2d101ea333c87 [0,3,0,0,0,0|1,0,0]=4 1858 B13R1.17 O=C(NCCS)c1ccc(nc1)F 2fb6a9ddb64af89a3e732eff48fc0939 [0,3,0,0,0,0|1,0,0]=4 1859 B13R1.17 O=C(NCCS)c1ccc(nc1)I e9f6cbe1e99f0334e1d0cdbab832daeb [0,3,0,0,0,0|1,0,0]=4 1860 B13R1.17 O=C(NCCS)c1ccc(nc1)O 9d029be9b3315646991da1ae4d5c00e3 [0,3,0,0,0,0|1,0,0]=4 1861 B13R1.17 O=C(NCCS)c1ccc(nc1)S 2a1e92925fcfd6fae65be78d13e8b2c9 [0,3,0,0,0,0|1,0,0]=4 1862 B13R1.17 O=CNCC(=O)c1ccc(cc1)Br 913c71ba103c2ed8e326f991df046658 [0,3,0,0,0,0|0,0,1]=4 1863 B13R1.17 O=CNCC(=O)c1ccc(cc1)Cl 29619033a184dbc1332aea4348f1c345 [0,3,0,0,0,0|0,0,1]=4 1864 B13R1.452 C#Cc1ccc(cc1)C(=O)NC#N 8b99c7bc92dd34dfef024e1a53a1eb6e [0,3,0,0,0,0|0,0,1]=4 1865 B13R1.452 C=Cc1ccc(cc1)C(=O)NC#N ffb5b703523e8a8b0b9066bffa16e6cb [0,3,0,0,0,0|0,0,1]=4 1866 B13R1.452 CCc1ccc(cc1)C(=O)NC#N 1d37ff32ff965f1291c8527a9bd8ea70 [0,3,0,0,0,0|0,0,1]=4 1867 B13R1.452 COc1ccc(cc1)C(=O)NC#N d0ce0828a049d3d5e042494aafa71935 [0,3,0,0,0,0|0,0,1]=4 1868 B13R1.452 CSc1ccc(cc1)C(=O)NC#N 37aa55c8dce7b12c44576531f144a531 [0,3,0,0,0,0|0,0,1]=4 1869 B13R1.452 N#CNC(=O)c1ccc(cc1)C#N a15ed422dfc530262f3c4284f8a28ff1 [0,3,0,0,0,0|0,0,1]=4 1870 B13R1.452 N#CNC(=O)c1ccc(cc1)C=O bcd6f2c3545f3cf7b6445c244832698d [0,3,0,0,0,0|0,0,1]=4 1871 B13R1.452 N#CNC(=O)c1ccc(cc1)CF 8698143eb9260b9db0317ddaf0d79fe6 [0,3,0,0,0,0|0,0,1]=4 1872 B13R1.452 N#CNC(=O)c1ccc(cc1)CO 16fa15ae450b038596ceede2d2259e1d [0,3,0,0,0,0|0,0,1]=4 1873 B13R1.452 N#CNC(=O)c1ccc(cc1)CS f8a697aa1b3b290acf15e4513eeffbec [0,3,0,0,0,0|0,0,1]=4 1874 B13R1.466 Cc1cc(ccc1Br)C(=O)NC#N d1e4bacf275def87a6c05027394e8add [0,3,0,0,0,0|0,0,1]=4 1875 B13R1.466 Cc1cc(ccc1Cl)C(=O)NC#N 80d4c9b39290e388127b5359e23c53d1 [0,3,0,0,0,0|0,0,1]=4 1876 B13R1.466 Cc1cc(ccc1F)C(=O)NC#N 14d9895c494f69f81fb48481fdaf6e7b [0,3,0,0,0,0|0,0,1]=4 1877 B13R1.466 Cc1cc(ccc1I)C(=O)NC#N 4bf64d1fa67de1c08093e0e6e2929596 [0,3,0,0,0,0|0,0,1]=4 1878 B13R1.466 Cc1cc(ccc1O)C(=O)NC#N 8ac56b1c53e6c8a2d1eb55607ae9eb59 [0,3,0,0,0,0|0,0,1]=4 1879 B13R1.466 Cc1ccc(cc1Br)C(=O)NC#N b51c2008087e038e4f6b4ce1f5f889cb [0,3,0,0,0,0|0,0,1]=4 1880 B13R1.466 Cc1ccc(cc1C)C(=O)NC#N 8eab60d5976074d4cf7acaf2fa238d85 [0,3,0,0,0,0|0,0,1]=4 1881 B13R1.466 Cc1ccc(cc1Cl)C(=O)NC#N ea6b9a38e0904dec45e6d9063453f17c [0,3,0,0,0,0|0,0,1]=4 1882 B13R1.466 Cc1ccc(cc1F)C(=O)NC#N 2af2c4b73258f1a3efabb67fcb97a58f [0,3,0,0,0,0|0,0,1]=4 1883 B13R1.466 Cc1ccc(cc1I)C(=O)NC#N e64ba1f85dae9f9914c1d9c5cddfcd8c [0,3,0,0,0,0|0,0,1]=4 1884 B13R1.466 Cc1ccc(cc1O)C(=O)NC#N 806fedb9f19a515a25bfea851d4609cf [0,3,0,0,0,0|0,0,1]=4 1885 B13R1.466 N#CNC(=O)c1ccc(c(c1)Br)Cl 3bc956f4f610f4e98a617ce7af3c0a11 [0,3,0,0,0,0|0,0,1]=4 1886 B13R1.466 N#CNC(=O)c1ccc(c(c1)Br)F 0ae0150715b504e2432ce489d1fbd31d [0,3,0,0,0,0|0,0,1]=4 1887 B13R1.466 N#CNC(=O)c1ccc(c(c1)Br)I 586e34b1821c103d6967acc07b40370d [0,3,0,0,0,0|0,0,1]=4 1888 B13R1.466 N#CNC(=O)c1ccc(c(c1)Cl)Br 6da0e2f04f25efbc6651e7f19089ab3e [0,3,0,0,0,0|0,0,1]=4 1889 B13R1.466 N#CNC(=O)c1ccc(c(c1)Cl)Cl bfa2bcf25c9cb3eb2a68f836092b14fd [0,3,0,0,0,0|0,0,1]=4 1890 B13R1.466 N#CNC(=O)c1ccc(c(c1)Cl)F b2702c7ca3ead6d20f03226fce20037f [0,3,0,0,0,0|0,0,1]=4 1891 B13R1.466 N#CNC(=O)c1ccc(c(c1)Cl)I a17c97ea0a7579244dabce1826423f45 [0,3,0,0,0,0|0,0,1]=4 1892 B13R1.466 N#CNC(=O)c1ccc(c(c1)Cl)S 3e91e283c66f2c37d94e400bb31570ab [0,3,0,0,0,0|0,0,1]=4 1893 B13R1.466 N#CNC(=O)c1ccc(c(c1)F)Br 3de18a42ba257be10fcefc3edd6449a5 [0,3,0,0,0,0|0,0,1]=4 1894 B13R1.466 N#CNC(=O)c1ccc(c(c1)F)Cl 1d56831825adef64f982464ff2f3328c [0,3,0,0,0,0|0,0,1]=4 1895 B13R1.466 N#CNC(=O)c1ccc(c(c1)F)F a2fa12327427519336bdf99933876312 [0,3,0,0,0,0|0,0,1]=4 1896 B13R1.466 N#CNC(=O)c1ccc(c(c1)F)I 7756dd17f9a829fd7f53aaa273e9f733 [0,3,0,0,0,0|0,0,1]=4 1897 B13R1.466 N#CNC(=O)c1ccc(c(c1)F)S a4726045c60d4aa48a04f58ec6d3e85f [0,3,0,0,0,0|0,0,1]=4 1898 B13R1.466 N#CNC(=O)c1ccc(c(c1)I)Cl 37a2c35717c744fffc607bb6282f3981 [0,3,0,0,0,0|0,0,1]=4 1899 B13R1.466 N#CNC(=O)c1ccc(c(c1)I)F 57e13ac5a1e819c09ae11df5ecd4b03a [0,3,0,0,0,0|0,0,1]=4 1900 B13R1.466 N#CNC(=O)c1ccc(c(c1)I)I 18f53ab91242533662273c78487f86bb [0,3,0,0,0,0|0,0,1]=4 1901 B13R1.466 N#CNC(=O)c1ccc(c(c1)O)F 21e3d5e9f4da6d400b4d613aa48de51f [0,3,0,0,0,0|0,0,1]=4 1902 B13R1.466 N#CNC(=O)c1ccc(c(c1)O)I 684562514836c7623d67212b0d5c516b [0,3,0,0,0,0|0,0,1]=4 1903 B13R1.1511 Cc1cc(ccc1C(=O)NC#N)Br c8d8eb90616f8ce4e8ed86a3c13b9509 [0,3,0,0,0,0|0,0,1]=4 1904 B13R1.1511 Cc1cc(ccc1C(=O)NC#N)Cl 5f03e60c42e06e1cb6f46de86c46dd2d [0,3,0,0,0,0|0,0,1]=4 1905 B13R1.1511 Cc1cc(ccc1C(=O)NC#N)F e8264716021154868d222287c046107f [0,3,0,0,0,0|0,0,1]=4 1906 B13R1.1511 Cc1cc(ccc1C(=O)NC#N)I 012cd6068ca7794d1a3049601936cbbc [0,3,0,0,0,0|0,0,1]=4 1907 B13R1.1511 Cc1cc(ccc1C(=O)NC#N)O e8f74943b71790bcd6d6cbf536ced0e2 [0,3,0,0,0,0|0,0,1]=4 1908 B13R1.1511 Cc1ccc(c(c1)Br)C(=O)NC#N 84c7c22f5fd032ed8c8d3f3335c7a1d4 [0,3,0,0,0,0|0,0,1]=4 1909 B13R1.1511 Cc1ccc(c(c1)C)C(=O)NC#N 7133d516515c5ab17327a34626ac7de3 [0,3,0,0,0,0|0,0,1]=4 1910 B13R1.1511 Cc1ccc(c(c1)F)C(=O)NC#N 47b7a61b578b907a4626b21cc1824d48 [0,3,0,0,0,0|0,0,1]=4 1911 B13R1.1511 Cc1ccc(c(c1)I)C(=O)NC#N 729b8df2f87603a82782ab482df44545 [0,3,0,0,0,0|0,0,1]=4 1912 B13R1.1511 N#CNC(=O)c1ccc(cc1Br)Br 88a0fcfeb5741290b313304f72869a2d [0,3,0,0,0,0|0,0,1]=4 1913 B13R1.1511 N#CNC(=O)c1ccc(cc1Br)Cl 718db1c0ff20149a317caa388a3ffdb8 [0,3,0,0,0,0|0,0,1]=4 1914 B13R1.1511 N#CNC(=O)c1ccc(cc1Br)F 55e108b3087ed480651642f4584406d2 [0,3,0,0,0,0|0,0,1]=4 1915 B13R1.1511 N#CNC(=O)c1ccc(cc1Br)I d7807545f454441c486f93145ce502e7 [0,3,0,0,0,0|0,0,1]=4 1916 B13R1.1511 N#CNC(=O)c1ccc(cc1Br)O 6f86222cc88f9eecc3f653951a33218b [0,3,0,0,0,0|0,0,1]=4 1917 B13R1.1511 N#CNC(=O)c1ccc(cc1Cl)Cl 3bd9e21dbba2f906989a9fb863e0e05f [0,3,0,0,0,0|0,0,1]=4 1918 B13R1.1511 N#CNC(=O)c1ccc(cc1Cl)F 936eee875e1029b4c59ef40de4e364df [0,3,0,0,0,0|0,0,1]=4 1919 B13R1.1511 N#CNC(=O)c1ccc(cc1Cl)I 45787ad9b00492c784b08060cf851624 [0,3,0,0,0,0|0,0,1]=4 1920 B13R1.1511 N#CNC(=O)c1ccc(cc1Cl)O 263901aa25ad9b3c853a298d40c9350e [0,3,0,0,0,0|0,0,1]=4 1921 B13R1.1511 N#CNC(=O)c1ccc(cc1F)Br b43a07697163cec84996c0b93c6f976b [0,3,0,0,0,0|0,0,1]=4 1922 B13R1.1511 N#CNC(=O)c1ccc(cc1F)Cl ecf3a37b15a7a882dded14c17274a9ba [0,3,0,0,0,0|0,0,1]=4 1923 B13R1.1511 N#CNC(=O)c1ccc(cc1F)F 6d534b0fe337c45161e6644b7fced31d [0,3,0,0,0,0|0,0,1]=4 1924 B13R1.1511 N#CNC(=O)c1ccc(cc1F)I 0c02bfd6949a1b4e9a2fdc3eeb914f1f [0,3,0,0,0,0|0,0,1]=4 1925 B13R1.1511 N#CNC(=O)c1ccc(cc1F)O d5b49aa6734a6a76cc3a832554548673 [0,3,0,0,0,0|0,0,1]=4 1926 B13R1.1511 N#CNC(=O)c1ccc(cc1F)S aa1cf0d65e730233624ca7e52b425387 [0,3,0,0,0,0|0,0,1]=4 1927 B13R1.1511 N#CNC(=O)c1ccc(cc1I)Br f58615ad5b7f5b580d48d8eef06a7498 [0,3,0,0,0,0|0,0,1]=4 1928 B13R1.1511 N#CNC(=O)c1ccc(cc1I)Cl b1af67f4c9ac6efaf81c5c21267a764c [0,3,0,0,0,0|0,0,1]=4 1929 B13R1.1511 N#CNC(=O)c1ccc(cc1I)F 64042e682f83ee422fc8554564310f55 [0,3,0,0,0,0|0,0,1]=4 1930 B13R1.1511 N#CNC(=O)c1ccc(cc1O)I 68d63009f93ec615c065057eac3cc138 [0,3,0,0,0,0|0,0,1]=4 1931 B13R1.1511 N#CNC(=O)c1ccc(cc1O)O 9f1b71b9bad3ed5e1e023f0f999da5ae [0,3,0,0,0,0|0,0,1]=4 1932 B13R1.1511 N#CNC(=O)c1ccc(cc1S)F fa7dcf3133f2dfe6a54a522b65a3ad84 [0,3,0,0,0,0|0,0,1]=4 1933 B13R1.12 Cc1c(cccc1C(=O)NC#N)F a5bce828e15d4afacf67ee86714ef579 [0,3,0,0,0,0|0,0,1]=4 1934 B13R1.12 Cc1c(cccc1C(=O)NC#N)I 443dd6e7866a5adb134a92e800ac61a3 [0,3,0,0,0,0|0,0,1]=4 1935 B13R1.12 Cc1cccc(c1Br)C(=O)NC#N 61e515dbf6701da220b607b0b9aa813e [0,3,0,0,0,0|0,0,1]=4 1936 B13R1.12 Cc1cccc(c1C)C(=O)NC#N 9d19c579f4357b934481b8cd7b761a27 [0,3,0,0,0,0|0,0,1]=4 1937 B13R1.12 Cc1cccc(c1Cl)C(=O)NC#N 8517108b1a3cf9c463cf3e436fe37b79 [0,3,0,0,0,0|0,0,1]=4 1938 B13R1.12 N#CNC(=O)c1cccc(c1Br)Br e2ba5bcc3220ccf8486dd4712f515e70 [0,3,0,0,0,0|0,0,1]=4 1939 B13R1.12 N#CNC(=O)c1cccc(c1Br)Cl beb738eb8e4a7b736a127452a3e9d910 [0,3,0,0,0,0|0,0,1]=4 1940 B13R1.12 N#CNC(=O)c1cccc(c1Br)F 5c08048ba7cfa187ad210301fa351abe [0,3,0,0,0,0|0,0,1]=4 1941 B13R1.12 N#CNC(=O)c1cccc(c1Br)I b62cea69355dd8c56027247e39c73a89 [0,3,0,0,0,0|0,0,1]=4 1942 B13R1.12 N#CNC(=O)c1cccc(c1Cl)Cl 9dd9d5f4dc63a00c2a5ca2bb6a9806ec [0,3,0,0,0,0|0,0,1]=4 1943 B13R1.12 N#CNC(=O)c1cccc(c1Cl)F 6eea7010317434251886c8ff3bb660b3 [0,3,0,0,0,0|0,0,1]=4 1944 B13R1.12 N#CNC(=O)c1cccc(c1Cl)I 1cce885a3ed267f9201a2e730b5554e5 [0,3,0,0,0,0|0,0,1]=4 1945 B13R1.12 N#CNC(=O)c1cccc(c1F)Cl 9e249ff696918a6c6f168e130419c563 [0,3,0,0,0,0|0,0,1]=4 1946 B13R1.12 N#CNC(=O)c1cccc(c1F)I 1fe24879203df29609af133f558e0f1f [0,3,0,0,0,0|0,0,1]=4 1947 B13R1.12 N#CNC(=O)c1cccc(c1I)Br 0d4f0643171ee0feacc6fff7bdd9770a [0,3,0,0,0,0|0,0,1]=4 1948 B13R1.12 N#CNC(=O)c1cccc(c1I)Cl e0ef0b23dad4e5028d40f811fa5d6c80 [0,3,0,0,0,0|0,0,1]=4 1949 B13R1.12 N#CNC(=O)c1cccc(c1I)F 839607a794eb6d9654596642f3ff1837 [0,3,0,0,0,0|0,0,1]=4 1950 B13R1.12 N#CNC(=O)c1cccc(c1O)Br 81c66fa21c6b8289a2b3f0fd1dca7a3c [0,3,0,0,0,0|0,0,1]=4 1951 B13R1.12 N#CNC(=O)c1cccc(c1O)Cl fa67b8c88bf55015836a432d0b9228d5 [0,3,0,0,0,0|0,0,1]=4 1952 B13R1.12 N#CNC(=O)c1cccc(c1O)F 89fd2eb857cac23d5189252b291b7e80 [0,3,0,0,0,0|0,0,1]=4 1953 B13R1.18 C#CCNC(=O)c1cc(=O)cco1 7e49915939fe4897c15321d24e66ae2c [0,3,0,0,0,0|1,0,0]=4 1954 B13R1.18 C#CCNC(=O)c1cc(ccn1)Br a63ab61db155cbd40bc284e12980e28b [0,3,0,0,0,0|1,0,0]=4 1955 B13R1.18 C#CCNC(=O)c1cc(ccn1)C 68abae25d8717d7f78a0859b8cf37d6d [0,3,0,0,0,0|1,0,0]=4 1956 B13R1.18 C#CCNC(=O)c1cc(ccn1)Cl 2bdc768a63abfc98c7d1cdb0d41cdeb3 [0,3,0,0,0,0|1,0,0]=4 1957 B13R1.18 C#CCNC(=O)c1cc(ccn1)F 42b0451649864ab4eb555e2102af5f87 [0,3,0,0,0,0|1,0,0]=4 1958 B13R1.18 C#CCNC(=O)c1cc(ccn1)I 1e79ea53aa0bbcffeca0cad4c993981e [0,3,0,0,0,0|1,0,0]=4 1959 B13R1.18 C#CCNC(=O)c1cc(ccn1)O d0a1986a923e10f049e86430a59439ab [0,3,0,0,0,0|1,0,0]=4 1960 B13R1.18 C#CCNC(=O)c1ccc[n+](c1)[O-] 536a6af79e6b8c4c753f71899b026cbb [0,3,0,0,0,0|1,0,0]=4 1961 B13R1.18 C#CCNC(=O)c1cccc(c1)Br 299f389454d65d2b507132e944e3bfab [0,3,0,0,0,0|0,0,0]=3 1962 B13R1.18 C#CCNC(=O)c1cccc(c1)C 198cd45f1e09843e289a3590470de4e6 [0,3,0,0,0,0|0,0,0]=3 1963 B13R1.18 C#CCNC(=O)c1cccc(c1)Cl 3c58bb3e39d138ad8913611b98fb0da3 [0,3,0,0,0,0|0,0,0]=3 1964 B13R1.18 C#CCNC(=O)c1cccc(c1)F e685de55938831842e8f06a28a2cc0d8 [0,3,0,0,0,0|0,0,0]=3 1965 B13R1.18 C#CCNC(=O)c1cccc(c1)I bb129386d5faa3182b774eff22ac120c [0,3,0,0,0,0|0,0,0]=3 1966 B13R1.18 C#CCNC(=O)c1cccc(c1)O 94a63504659388e398a3b46f3a41f223 [0,3,0,0,0,0|0,0,0]=3 1967 B13R1.18 C#CCNC(=O)c1cccc(c1)S a64ecc28aba66f1bd1a7f7addf162c76 [0,3,0,0,0,0|0,0,0]=3 1968 B13R1.18 C#CCNC(=O)c1cccc(n1)Br 948da4df79520cde3f9ce6585e78b7c5 [0,3,0,0,0,0|1,0,0]=4 1969 B13R1.18 C#CCNC(=O)c1cccc(n1)C a694d0ae38e0a9e916ebc029af6b5509 [0,3,0,0,0,0|1,0,0]=4 1970 B13R1.18 C#CCNC(=O)c1cccc(n1)Cl 970867e95221a6eec37e39fcdb3f9ee2 [0,3,0,0,0,0|1,0,0]=4 1971 B13R1.18 C#CCNC(=O)c1cccc(n1)F 73294ecefc8d67f3ddfc4db813a88c81 [0,3,0,0,0,0|1,0,0]=4 1972 B13R1.18 C#CCNC(=O)c1cccc(n1)I cc963fc8c0079d908a2fcc9ce8b3a3a2 [0,3,0,0,0,0|1,0,0]=4 1973 B13R1.18 C#CCNC(=O)c1cccc(n1)O 23a245bde4dcc1ecc3db36063032431c [0,3,0,0,0,0|1,0,0]=4 1974 B13R1.18 C#CCNC(=O)c1ccnc(c1)Br 162c086ce92256578dc77bdde56b58a6 [0,3,0,0,0,0|1,0,0]=4 1975 B13R1.18 C#CCNC(=O)c1ccnc(c1)C 7fbe380accbfebe1a88e0e912a83bdff [0,3,0,0,0,0|1,0,0]=4 1976 B13R1.18 C#CCNC(=O)c1ccnc(c1)Cl 5e6b9bf25f3d5fbb014d283610ebc792 [0,3,0,0,0,0|1,0,0]=4 1977 B13R1.18 C#CCNC(=O)c1ccnc(c1)F 333f217b607d03bdb0cafd0c7e940e97 [0,3,0,0,0,0|1,0,0]=4 1978 B13R1.18 C#CCNC(=O)c1ccnc(c1)I 32eaf1631a9db7f2b521e63872884ce2 [0,3,0,0,0,0|1,0,0]=4 1979 B13R1.18 C#CCNC(=O)c1ccnc(c1)O 1cb1a6f668d2b7ecc6caa953dd9fdc3f [0,3,0,0,0,0|1,0,0]=4 1980 B13R1.18 C#CCNC(=O)c1ccnc(c1)S c4b87ed55221d0131d6b6f866a125066 [0,3,0,0,0,0|1,0,0]=4 1981 B13R1.18 C#CCNC(=O)c1cncc(c1)Br 956fd681b6c1ad64be7ea76f871980c9 [0,3,0,0,0,0|1,0,0]=4 1982 B13R1.18 C#CCNC(=O)c1cncc(c1)C 514df3b8542fcfd1e16489ba48539079 [0,3,0,0,0,0|1,0,0]=4 1983 B13R1.18 C#CCNC(=O)c1cncc(c1)Cl fab7d5c9f3073e9f1ce8d921a4daf21c [0,3,0,0,0,0|1,0,0]=4 1984 B13R1.18 C#CCNC(=O)c1cncc(c1)F 41b667e752f90bd073f8cc56413682a9 [0,3,0,0,0,0|1,0,0]=4 1985 B13R1.18 C#CCNC(=O)c1cncc(c1)I 697615f7b9343f6343c5a1302d1b48b5 [0,3,0,0,0,0|1,0,0]=4 1986 B13R1.18 C#CCNC(=O)c1cncc(c1)O f44c9db8b87baeb901ec4274e27de8b9 [0,3,0,0,0,0|1,0,0]=4 1987 B13R1.18 CCCNC(=O)c1cc(=O)cco1 af84c6c3a0ca1ea10b6021c2d0801843 [0,3,0,0,0,0|1,0,0]=4 1988 B13R1.18 CCCNC(=O)c1cc(ccn1)Br 49e1786823e707f7e4ceef96dc74d8a8 [0,3,0,0,0,0|1,0,0]=4 1989 B13R1.18 CCCNC(=O)c1cc(ccn1)C 126a9ec48e9c12fc23517496949b0ce9 [0,3,0,0,0,0|1,0,0]=4 1990 B13R1.18 CCCNC(=O)c1cc(ccn1)Cl a6c397b0e431771a8efbeceb9b67d9c8 [0,3,0,0,0,0|1,0,0]=4 1991 B13R1.18 CCCNC(=O)c1cc(ccn1)F cd15e10b2a6df86c2d54031f632a0321 [0,3,0,0,0,0|1,0,0]=4 1992 B13R1.18 CCCNC(=O)c1cc(ccn1)I 509884d5841d0297daa377e165238ab2 [0,3,0,0,0,0|1,0,0]=4 1993 B13R1.18 CCCNC(=O)c1cc(ccn1)O b1455a3818eac86017451229ea4f2a24 [0,3,0,0,0,0|1,0,0]=4 1994 B13R1.18 CCCNC(=O)c1ccc[n+](c1)[O-] 2e1178baf239e20e5b47acbd55748125 [0,3,0,0,0,0|1,0,0]=4 1995 B13R1.18 CCCNC(=O)c1cccc(c1)Br 0ef4867b5c73961e3b1b10708c5fef27 [0,3,0,0,0,0|0,0,0]=3 1996 B13R1.18 CCCNC(=O)c1cccc(c1)C 196ef7a6c36110e02f73fbab25c28381 [0,3,0,0,0,0|0,0,0]=3 1997 B13R1.18 CCCNC(=O)c1cccc(c1)Cl 1452f1a721c0c60a2ab3269b2363cc8c [0,3,0,0,0,0|0,0,0]=3 1998 B13R1.18 CCCNC(=O)c1cccc(c1)F d0df8f5e1ee800112820f1973e38f79c [0,3,0,0,0,0|0,0,0]=3 1999 B13R1.18 CCCNC(=O)c1cccc(c1)I 256af16b74e90029e320086839994931 [0,3,0,0,0,0|0,0,0]=3 2000 B13R1.18 CCCNC(=O)c1cccc(c1)O 1af4609d9ab2aee9ff7ae897e816db79 [0,3,0,0,0,0|0,0,0]=3 2001 B13R1.18 CCCNC(=O)c1cccc(c1)S 49c835a4a9df108f43ac7cc15ce69547 [0,3,0,0,0,0|0,0,0]=3 2002 B13R1.18 CCCNC(=O)c1cccc(n1)Br cd6c8261f3204574295fab155e815cd1 [0,3,0,0,0,0|1,0,0]=4 2003 B13R1.18 CCCNC(=O)c1cccc(n1)C 8f59eccd0f2e1ec223a2f1a6116057e1 [0,3,0,0,0,0|1,0,0]=4 2004 B13R1.18 CCCNC(=O)c1cccc(n1)Cl f863fbd9a996a5db97944f2fdbf1672a [0,3,0,0,0,0|1,0,0]=4 2005 B13R1.18 CCCNC(=O)c1cccc(n1)F 8ff0483afb7f44179a10d5af934de8ed [0,3,0,0,0,0|1,0,0]=4 2006 B13R1.18 CCCNC(=O)c1cccc(n1)I be538f993d239bfb435dc17cf2b199a1 [0,3,0,0,0,0|1,0,0]=4 2007 B13R1.18 CCCNC(=O)c1cccc(n1)O 99a0cbb3dcf038e021f99ef7a7d1c0e7 [0,3,0,0,0,0|1,0,0]=4 2008 B13R1.18 CCCNC(=O)c1ccnc(c1)Br 9e279204591462a347b58a346c9776a8 [0,3,0,0,0,0|1,0,0]=4 2009 B13R1.18 CCCNC(=O)c1ccnc(c1)C c28f2f08c2ec6aeec5fc1810a7ef5f36 [0,3,0,0,0,0|1,0,0]=4 2010 B13R1.18 CCCNC(=O)c1ccnc(c1)Cl bfcdf6c47412ecb9d57bdd3c5244f2b2 [0,3,0,0,0,0|1,0,0]=4 2011 B13R1.18 CCCNC(=O)c1ccnc(c1)F a841cf31062e34a497930f5776788879 [0,3,0,0,0,0|1,0,0]=4 2012 B13R1.18 CCCNC(=O)c1ccnc(c1)I d3cd5a88f6bd486eb1bcb76f43e7532f [0,3,0,0,0,0|1,0,0]=4 2013 B13R1.18 CCCNC(=O)c1ccnc(c1)O 42dc283785cb91dda7a661e6e2caa094 [0,3,0,0,0,0|1,0,0]=4 2014 B13R1.18 CCCNC(=O)c1ccnc(c1)S c3b3cf273f70b06fef19e3da8af33cc1 [0,3,0,0,0,0|1,0,0]=4 2015 B13R1.18 CCCNC(=O)c1cncc(c1)Br 16843a0090efef9973a6866d50f443f0 [0,3,0,0,0,0|1,0,0]=4 2016 B13R1.18 CCCNC(=O)c1cncc(c1)C 723c0053da9b4890cda6ec3962393237 [0,3,0,0,0,0|1,0,0]=4 2017 B13R1.18 CCCNC(=O)c1cncc(c1)Cl a3701dbf26c0f9f7ea130ff2e73eca69 [0,3,0,0,0,0|1,0,0]=4 2018 B13R1.18 CCCNC(=O)c1cncc(c1)F bc7a53a9068f0599b7851dc810b47bfe [0,3,0,0,0,0|1,0,0]=4 2019 B13R1.18 CCCNC(=O)c1cncc(c1)I e6f0f428b46480055c157b682210cbb7 [0,3,0,0,0,0|1,0,0]=4 2020 B13R1.18 CCCNC(=O)c1cncc(c1)O b0dcb875a197cb777eb01c7b96f4b782 [0,3,0,0,0,0|1,0,0]=4 2021 B13R1.18 CCOCC(=O)c1cccc(c1)Br 66aab0a35ac87920d77e7f865326515d [0,3,0,0,0,0|1,0,0]=4 2022 B13R1.18 CCOCC(=O)c1cccc(c1)Cl 11b60f81054116e88bc3492616ec0ca0 [0,3,0,0,0,0|1,0,0]=4 2023 B13R1.18 CCOCC(=O)c1cccc(c1)F dffb356728922863b379ecd5899f7d3a [0,3,0,0,0,0|1,0,0]=4 2024 B13R1.18 Cc1cc(ccn1)C(=O)NCC#N a9990dee93b4c063fb58adb0acb8cf53 [0,3,0,0,0,0|1,0,0]=4 2025 B13R1.18 Cc1cc(ccn1)C(=O)NCCBr 2eec2a11074299041fad15083fdbfe6c [0,3,0,0,0,0|1,0,0]=4 2026 B13R1.18 Cc1cc(ccn1)C(=O)NCCF 8cf431a21ad2cb6ff4a7b221191e57db [0,3,0,0,0,0|1,0,0]=4 2027 B13R1.18 Cc1cc(ccn1)C(=O)NCCI d92b513c1d0f1f2e1f1ec0b8c9c6ef1e [0,3,0,0,0,0|1,0,0]=4 2028 B13R1.18 Cc1cc(ccn1)C(=O)NCCO 8e8313ab7f8f723de924bf966c4b8e42 [0,3,0,0,0,0|1,0,0]=4 2029 B13R1.18 Cc1cc(ccn1)C(=O)NCCS f97e7200b92ec0fa7e0f6399f17d127a [0,3,0,0,0,0|1,0,0]=4 2030 B13R1.18 Cc1cccc(c1)C(=O)CNC#N ba6d093a0e397660ad744c29fd2f2c05 [0,3,0,0,0,0|0,0,1]=4 2031 B13R1.18 Cc1cccc(c1)C(=O)NCC#N f987b695e1496768e937e78c8108acd6 [0,3,0,0,0,0|0,0,0]=3 2032 B13R1.18 Cc1cccc(c1)C(=O)NCCBr 1b1507da92ff445dc08aeb4ff87a3c1b [0,3,0,0,0,0|0,0,0]=3 2033 B13R1.18 Cc1cccc(c1)C(=O)NCCF 25f2769e39c27d75334ec56c8426fc79 [0,3,0,0,0,0|0,0,0]=3 2034 B13R1.18 Cc1cccc(c1)C(=O)NCCI beecd7ffa0190106b39c7dbd32a32b4b [0,3,0,0,0,0|0,0,0]=3 2035 B13R1.18 Cc1cccc(c1)C(=O)NCCO ed861ac33d7f573aed2085e71f8926ef [0,3,0,0,0,0|0,0,0]=3 2036 B13R1.18 Cc1cccc(c1)C(=O)NCCS 200ebffd7814cad3909f7f49dd32f4f2 [0,3,0,0,0,0|0,0,0]=3 2037 B13R1.18 Cc1cccc(n1)C(=O)NCC#N 7f699ace85e775037b0520433ff69867 [0,3,0,0,0,0|1,0,0]=4 2038 B13R1.18 Cc1cccc(n1)C(=O)NCCF 3061918da917aa43f1024636ad6575f1 [0,3,0,0,0,0|1,0,0]=4 2039 B13R1.18 Cc1cccc(n1)C(=O)NCCI 6e01aa3a24322d6e23cda45fab2f0138 [0,3,0,0,0,0|1,0,0]=4 2040 B13R1.18 Cc1cccc(n1)C(=O)NCCO 65fccf897e24f36e8afbf3e8ae0dfa36 [0,3,0,0,0,0|1,0,0]=4 2041 B13R1.18 Cc1cccc(n1)C(=O)NCCS adcba972f818cecb673fa558e838f619 [0,3,0,0,0,0|1,0,0]=4 2042 B13R1.18 Cc1ccnc(c1)C(=O)NCC#N 03afc09aa12d719883d6eab52000ab98 [0,3,0,0,0,0|1,0,0]=4 2043 B13R1.18 Cc1ccnc(c1)C(=O)NCCBr 9030ae053e7f8788b41265a4259533fd [0,3,0,0,0,0|1,0,0]=4 2044 B13R1.18 Cc1ccnc(c1)C(=O)NCCF 5f28c8f87bb27978febe4744cca9f162 [0,3,0,0,0,0|1,0,0]=4 2045 B13R1.18 Cc1ccnc(c1)C(=O)NCCI f372de9e0bc95a57453a9d3ab6e54920 [0,3,0,0,0,0|1,0,0]=4 2046 B13R1.18 Cc1ccnc(c1)C(=O)NCCO 89b0c3d8353cd3cb72ab556f8ed2e417 [0,3,0,0,0,0|1,0,0]=4 2047 B13R1.18 Cc1ccnc(c1)C(=O)NCCS a78333c91b980f33461c2a143e5052cd [0,3,0,0,0,0|1,0,0]=4 2048 B13R1.18 Cc1cncc(c1)C(=O)NCC#N 56e7cff0a2b7ced983c1172e078ee5fc [0,3,0,0,0,0|1,0,0]=4 2049 B13R1.18 Cc1cncc(c1)C(=O)NCCBr 24ccfdac36783f851a3d70f382e7706f [0,3,0,0,0,0|1,0,0]=4 2050 B13R1.18 Cc1cncc(c1)C(=O)NCCF a032b0279b607a0d7fcef15d3962fedf [0,3,0,0,0,0|1,0,0]=4 2051 B13R1.18 Cc1cncc(c1)C(=O)NCCI 914ef940407398fe2f7aa65b7c57d1a8 [0,3,0,0,0,0|1,0,0]=4 2052 B13R1.18 Cc1cncc(c1)C(=O)NCCO d82ded86d46e4fefe9894077f260195c [0,3,0,0,0,0|1,0,0]=4 2053 B13R1.18 Cc1cncc(c1)C(=O)NCCS 8357eaa2d57ebc11c1780794a84d44e9 [0,3,0,0,0,0|1,0,0]=4 2054 B13R1.18 N#CCNC(=O)c1cc(=O)cco1 3be5231fc7cb81ba11688563198f8d1f [0,3,0,0,0,0|1,0,0]=4 2055 B13R1.18 N#CCNC(=O)c1cc(ccn1)Br 048a2d5229f2863fa2a9708e0c8d89e8 [0,3,0,0,0,0|1,0,0]=4 2056 B13R1.18 N#CCNC(=O)c1cc(ccn1)Cl c6808b34272a534dac1e25efaa693918 [0,3,0,0,0,0|1,0,0]=4 2057 B13R1.18 N#CCNC(=O)c1cc(ccn1)F d059c4bfc5eae6cbd64778ee2e9eb56c [0,3,0,0,0,0|1,0,0]=4 2058 B13R1.18 N#CCNC(=O)c1cc(ccn1)I dab6e2f066636c32ac9be4a16748faa2 [0,3,0,0,0,0|1,0,0]=4 2059 B13R1.18 N#CCNC(=O)c1cc(ccn1)O bd8c4a693afc23555ce188cde0c0c79f [0,3,0,0,0,0|1,0,0]=4 2060 B13R1.18 N#CCNC(=O)c1ccc[n+](c1)[O-] 1b794be39e5e79d2f073ed72900693d0 [0,3,0,0,0,0|1,0,0]=4 2061 B13R1.18 N#CCNC(=O)c1cccc(c1)Br 398678350638fd2510b31da8ea0ab9cd [0,3,0,0,0,0|0,0,0]=3 2062 B13R1.18 N#CCNC(=O)c1cccc(c1)Cl 714a6d926610a9287c8bb9b283c576ca [0,3,0,0,0,0|0,0,0]=3 2063 B13R1.18 N#CCNC(=O)c1cccc(c1)F d4ca6c3091b38c53dec7c39d47cbdac6 [0,3,0,0,0,0|0,0,0]=3 2064 B13R1.18 N#CCNC(=O)c1cccc(c1)I e108829da6fed6fac2018a6ad17ed3a0 [0,3,0,0,0,0|0,0,0]=3 2065 B13R1.18 N#CCNC(=O)c1cccc(c1)O 58787b57400d882fa3124d18f284ba90 [0,3,0,0,0,0|0,0,0]=3 2066 B13R1.18 N#CCNC(=O)c1cccc(c1)S de1151e673a838916f0e0e5cba8ee29f [0,3,0,0,0,0|0,0,0]=3 2067 B13R1.18 N#CCNC(=O)c1cccc(n1)Br 8d93bcb78a97bcfb26cf4cb09112f19a [0,3,0,0,0,0|1,0,0]=4 2068 B13R1.18 N#CCNC(=O)c1cccc(n1)Cl 6a46d0196c1bb1abd6caff5d0ff8f673 [0,3,0,0,0,0|1,0,0]=4 2069 B13R1.18 N#CCNC(=O)c1cccc(n1)F 093cd5cd35a5640d988e041a5445331d [0,3,0,0,0,0|1,0,0]=4 2070 B13R1.18 N#CCNC(=O)c1cccc(n1)I 57764dcf4b2caa70689c16723f4292d3 [0,3,0,0,0,0|1,0,0]=4 2071 B13R1.18 N#CCNC(=O)c1cccc(n1)O e9e746bec0cd1a3bfd6eb5e85171562c [0,3,0,0,0,0|1,0,0]=4 2072 B13R1.18 N#CCNC(=O)c1ccnc(c1)Br d0cf28f59f2b9adecd64a6fbe5e842e2 [0,3,0,0,0,0|1,0,0]=4 2073 B13R1.18 N#CCNC(=O)c1ccnc(c1)Cl f6f267b294476ce210de55a14d1fb601 [0,3,0,0,0,0|1,0,0]=4 2074 B13R1.18 N#CCNC(=O)c1ccnc(c1)F fd0d6df56a16a28c0b1d86f56a19727d [0,3,0,0,0,0|1,0,0]=4 2075 B13R1.18 N#CCNC(=O)c1ccnc(c1)I 3645ce5cf629e731aac239490e0d5675 [0,3,0,0,0,0|1,0,0]=4 2076 B13R1.18 N#CCNC(=O)c1ccnc(c1)O 14818a9fa454eae770b67083ae795edc [0,3,0,0,0,0|1,0,0]=4 2077 B13R1.18 N#CCNC(=O)c1ccnc(c1)S 9da850f06a902fac1de934b75a6fd1c8 [0,3,0,0,0,0|1,0,0]=4 2078 B13R1.18 N#CCNC(=O)c1cncc(c1)Br 2f0d93a785012bc85baa1c4e85fb7a0b [0,3,0,0,0,0|1,0,0]=4 2079 B13R1.18 N#CCNC(=O)c1cncc(c1)Cl 46b9b4dcfb22b393baf469f5c4aa8df1 [0,3,0,0,0,0|1,0,0]=4 2080 B13R1.18 N#CCNC(=O)c1cncc(c1)F 5a122f465b6942e69f8cde037a81229a [0,3,0,0,0,0|1,0,0]=4 2081 B13R1.18 N#CCNC(=O)c1cncc(c1)I 076d0531c9a0c96168589b92c969b949 [0,3,0,0,0,0|1,0,0]=4 2082 B13R1.18 N#CCNC(=O)c1cncc(c1)O 74c322513f03ac9ab826e44c10aabedc [0,3,0,0,0,0|1,0,0]=4 2083 B13R1.18 N#CNCC(=O)c1cccc(c1)Br ff0ec73696eb7b0c88c7e58e7912eb79 [0,3,0,0,0,0|0,0,1]=4 2084 B13R1.18 N#CNCC(=O)c1cccc(c1)Cl 8c99dc0ebe51b558c0d6c918eda8c427 [0,3,0,0,0,0|0,0,1]=4 2085 B13R1.18 N#CNCC(=O)c1cccc(c1)F 9cff9726baa891e025524c0a408b504d [0,3,0,0,0,0|0,0,1]=4 2086 B13R1.18 N#CNCC(=O)c1cccc(c1)I 75560fe0343a779eae3631a489312109 [0,3,0,0,0,0|0,0,1]=4 2087 B13R1.18 O=C(COCF)c1cccc(c1)Br 1b5cd4fc6e1f84c381953af13d922b2d [0,3,0,0,0,0|1,0,0]=4 2088 B13R1.18 O=C(COCF)c1cccc(c1)Cl 610438201d2e47e08b3a1513dd038528 [0,3,0,0,0,0|1,0,0]=4 2089 B13R1.18 O=C(COCF)c1cccc(c1)F a2077c765fa6b749a9e8a5f569c36d8c [0,3,0,0,0,0|1,0,0]=4 2090 B13R1.18 O=C(NCCBr)c1cc(=O)cco1 b3f45531368521414dfa456263de5ca5 [0,3,0,0,0,0|1,0,0]=4 2091 B13R1.18 O=C(NCCBr)c1cc(ccn1)Br 6c9fc0d6796575aa80720058858d71ac [0,3,0,0,0,0|1,0,0]=4 2092 B13R1.18 O=C(NCCBr)c1cc(ccn1)F dfe72d2d9b3a3ccd73ac01a93166381a [0,3,0,0,0,0|1,0,0]=4 2093 B13R1.18 O=C(NCCBr)c1cc(ccn1)I 6511ddf229c863118c9c06aa9f5add3f [0,3,0,0,0,0|1,0,0]=4 2094 B13R1.18 O=C(NCCBr)c1cc(ccn1)O ad03aab34423ffd6b774095f886b6248 [0,3,0,0,0,0|1,0,0]=4 2095 B13R1.18 O=C(NCCBr)c1ccc[n+](c1)[O-] 87642503907be03101d43021ac4f7624 [0,3,0,0,0,0|1,0,0]=4 2096 B13R1.18 O=C(NCCBr)c1cccc(c1)Br cb1e7b67b81b6aea0557768fb4a2c778 [0,3,0,0,0,0|0,0,0]=3 2097 B13R1.18 O=C(NCCBr)c1cccc(c1)Cl 35591af293fa259e3d0f7a08d2320baf [0,3,0,0,0,0|0,0,0]=3 2098 B13R1.18 O=C(NCCBr)c1cccc(c1)F f4a587f93c0c67249ebec7c839bb901a [0,3,0,0,0,0|0,0,0]=3 2099 B13R1.18 O=C(NCCBr)c1cccc(c1)I c96f8db54eb972a249f317f17b9193a2 [0,3,0,0,0,0|0,0,0]=3 2100 B13R1.18 O=C(NCCBr)c1cccc(c1)O 636e0f29b89af631033bb9044ad99758 [0,3,0,0,0,0|0,0,0]=3 2101 B13R1.18 O=C(NCCBr)c1cccc(c1)S fadc44f9e7283e73f671fd8f035d0873 [0,3,0,0,0,0|0,0,0]=3 2102 B13R1.18 O=C(NCCBr)c1ccnc(c1)Br a1b3d0b4e440a5a017d6a38e438bb0fb [0,3,0,0,0,0|1,0,0]=4 2103 B13R1.18 O=C(NCCBr)c1ccnc(c1)Cl b15a31ff8957058b0178bd251324d2a8 [0,3,0,0,0,0|1,0,0]=4 2104 B13R1.18 O=C(NCCBr)c1ccnc(c1)F 66232e3287a668c45e363ad69cd91d82 [0,3,0,0,0,0|1,0,0]=4 2105 B13R1.18 O=C(NCCBr)c1ccnc(c1)I 72ed6a685918cbec388d12edb4c80f29 [0,3,0,0,0,0|1,0,0]=4 2106 B13R1.18 O=C(NCCBr)c1ccnc(c1)O de2eeb1f96ea50edc70cdab8f5194d34 [0,3,0,0,0,0|1,0,0]=4 2107 B13R1.18 O=C(NCCBr)c1ccnc(c1)S d52ad5c683e7b43d30b5330da2fa729e [0,3,0,0,0,0|1,0,0]=4 2108 B13R1.18 O=C(NCCBr)c1cncc(c1)Br f248566824cc30d6e76d67dd6262222b [0,3,0,0,0,0|1,0,0]=4 2109 B13R1.18 O=C(NCCBr)c1cncc(c1)Cl a6bea4cad0f400f8cbc7824867aef301 [0,3,0,0,0,0|1,0,0]=4 2110 B13R1.18 O=C(NCCBr)c1cncc(c1)F e92d4db0fe4e04980d4eb2fea72a63c9 [0,3,0,0,0,0|1,0,0]=4 2111 B13R1.18 O=C(NCCBr)c1cncc(c1)I 1315f90a3fad313ae67cf240f63d28cf [0,3,0,0,0,0|1,0,0]=4 2112 B13R1.18 O=C(NCCBr)c1cncc(c1)O 69540fd614835730572770a773867d9d [0,3,0,0,0,0|1,0,0]=4 2113 B13R1.18 O=C(NCCF)c1cc(=O)cco1 2ea5492ad22a32e5c680e6620490b74a [0,3,0,0,0,0|1,0,0]=4 2114 B13R1.18 O=C(NCCF)c1cc(ccn1)Br 253df3ba44c082cc9afb81e11b16941e [0,3,0,0,0,0|1,0,0]=4 2115 B13R1.18 O=C(NCCF)c1cc(ccn1)Cl 372cf81bb04cdd62831598e903ba95e0 [0,3,0,0,0,0|1,0,0]=4 2116 B13R1.18 O=C(NCCF)c1cc(ccn1)F 18fce14a90ddfb5044315776c7e34b41 [0,3,0,0,0,0|1,0,0]=4 2117 B13R1.18 O=C(NCCF)c1cc(ccn1)I adce1ae3950ef67ab90990c2c2d5e981 [0,3,0,0,0,0|1,0,0]=4 2118 B13R1.18 O=C(NCCF)c1cc(ccn1)O e50e1de29329d75a86c066eb730ae189 [0,3,0,0,0,0|1,0,0]=4 2119 B13R1.18 O=C(NCCF)c1ccc[n+](c1)[O-] f158ed03256c59d596e073866ac418af [0,3,0,0,0,0|1,0,0]=4 2120 B13R1.18 O=C(NCCF)c1cccc(c1)Br 3dd3ca80fc3a30bf2a0500a173a07774 [0,3,0,0,0,0|0,0,0]=3 2121 B13R1.18 O=C(NCCF)c1cccc(c1)Cl a9f378074aa7f2a9a31d9a76818e9fad [0,3,0,0,0,0|0,0,0]=3 2122 B13R1.18 O=C(NCCF)c1cccc(c1)F 522436df1f08cb8ed663e1230507b377 [0,3,0,0,0,0|0,0,0]=3 2123 B13R1.18 O=C(NCCF)c1cccc(c1)I 73def5f68e644927d80e9e9def21bfb6 [0,3,0,0,0,0|0,0,0]=3 2124 B13R1.18 O=C(NCCF)c1cccc(c1)O 5ab5afb21884cba8c4b7b06234c2712d [0,3,0,0,0,0|0,0,0]=3 2125 B13R1.18 O=C(NCCF)c1cccc(c1)S 83e1feefa3f2bebc8609e77ebff00232 [0,3,0,0,0,0|0,0,0]=3 2126 B13R1.18 O=C(NCCF)c1cccc(n1)Br 4a19b692f2e4a999b36446f1e6c8e657 [0,3,0,0,0,0|1,0,0]=4 2127 B13R1.18 O=C(NCCF)c1cccc(n1)Cl cb165ab6bc4cbe0db38a838e216368d5 [0,3,0,0,0,0|1,0,0]=4 2128 B13R1.18 O=C(NCCF)c1cccc(n1)F 697a05b19dc279d97da341521f35dda3 [0,3,0,0,0,0|1,0,0]=4 2129 B13R1.18 O=C(NCCF)c1cccc(n1)I 985a87de269180df02e5ccf6359c7e4a [0,3,0,0,0,0|1,0,0]=4 2130 B13R1.18 O=C(NCCF)c1cccc(n1)O d6761c037ec66de273a766672f335928 [0,3,0,0,0,0|1,0,0]=4 2131 B13R1.18 O=C(NCCF)c1ccnc(c1)Br 8a354d16053302361532661598aa51ee [0,3,0,0,0,0|1,0,0]=4 2132 B13R1.18 O=C(NCCF)c1ccnc(c1)Cl 6ba5ba2bffaba4b634657b08307c6e23 [0,3,0,0,0,0|1,0,0]=4 2133 B13R1.18 O=C(NCCF)c1ccnc(c1)F d50a6f45bdd52d08981545cf5d254510 [0,3,0,0,0,0|1,0,0]=4 2134 B13R1.18 O=C(NCCF)c1ccnc(c1)I e7f61fd44a748318eecc08b6421f9e47 [0,3,0,0,0,0|1,0,0]=4 2135 B13R1.18 O=C(NCCF)c1ccnc(c1)O e33fba3ed19e353eac86496a5cd0477d [0,3,0,0,0,0|1,0,0]=4 2136 B13R1.18 O=C(NCCF)c1ccnc(c1)S 554bdb8891d16391c62f497f755ec569 [0,3,0,0,0,0|1,0,0]=4 2137 B13R1.18 O=C(NCCF)c1cncc(c1)Br 8e599f61812af46d5ded7d10b0573a41 [0,3,0,0,0,0|1,0,0]=4 2138 B13R1.18 O=C(NCCF)c1cncc(c1)Cl f636b575f023d1018d0db10cf61b9db5 [0,3,0,0,0,0|1,0,0]=4 2139 B13R1.18 O=C(NCCF)c1cncc(c1)F ef57704281b3bf169b486c257976e4fa [0,3,0,0,0,0|1,0,0]=4 2140 B13R1.18 O=C(NCCF)c1cncc(c1)I e58729ca819c2d791af18db35a2fecc9 [0,3,0,0,0,0|1,0,0]=4 2141 B13R1.18 O=C(NCCF)c1cncc(c1)O 0711228a81a645cc73c9127210a21180 [0,3,0,0,0,0|1,0,0]=4 2142 B13R1.18 O=C(NCCI)c1cc(=O)cco1 26cef819948b9016c0fdc1e8d450e4c2 [0,3,0,0,0,0|1,0,0]=4 2143 B13R1.18 O=C(NCCI)c1cc(ccn1)Br 09ae8dc6407ee7371dbbd0ba473d79de [0,3,0,0,0,0|1,0,0]=4 2144 B13R1.18 O=C(NCCI)c1cc(ccn1)Cl a2b15703c1a3ab25de32323814977dac [0,3,0,0,0,0|1,0,0]=4 2145 B13R1.18 O=C(NCCI)c1cc(ccn1)F fe3bb82c9876754c7569433195c4ab32 [0,3,0,0,0,0|1,0,0]=4 2146 B13R1.18 O=C(NCCI)c1cc(ccn1)I ea1348c892c894e5d977a00731b7fdd0 [0,3,0,0,0,0|1,0,0]=4 2147 B13R1.18 O=C(NCCI)c1cc(ccn1)O 08dc26ba64055bce6cc20ede6186bb36 [0,3,0,0,0,0|1,0,0]=4 2148 B13R1.18 O=C(NCCI)c1ccc[n+](c1)[O-] e4d93fd5690759668cc062b1317fc690 [0,3,0,0,0,0|1,0,0]=4 2149 B13R1.18 O=C(NCCI)c1cccc(c1)Br 4286f73b99b238008e69f30699600418 [0,3,0,0,0,0|0,0,0]=3 2150 B13R1.18 O=C(NCCI)c1cccc(c1)Cl 54b1bef3e299ec3aadeb42e1f5ffac8d [0,3,0,0,0,0|0,0,0]=3 2151 B13R1.18 O=C(NCCI)c1cccc(c1)F 7a5d3fc50120ffb3dbd974b657d3eb1f [0,3,0,0,0,0|0,0,0]=3 2152 B13R1.18 O=C(NCCI)c1cccc(c1)I a5499e2dd4b35db15dd6d32ec34735ca [0,3,0,0,0,0|0,0,0]=3 2153 B13R1.18 O=C(NCCI)c1cccc(c1)O c22d68b93f2547983b37dfaea477a587 [0,3,0,0,0,0|0,0,0]=3 2154 B13R1.18 O=C(NCCI)c1cccc(c1)S 432a27d1a80c5b2cf8555b1a57d8f33e [0,3,0,0,0,0|0,0,0]=3 2155 B13R1.18 O=C(NCCI)c1cccc(n1)Br 24cc47a98e5d34f38c76c7e2d6355b41 [0,3,0,0,0,0|1,0,0]=4 2156 B13R1.18 O=C(NCCI)c1cccc(n1)Cl 17ff685e8947215651c89f62a3606aa1 [0,3,0,0,0,0|1,0,0]=4 2157 B13R1.18 O=C(NCCI)c1cccc(n1)F 8e27fcdb448fd72966f4a20d88d6c384 [0,3,0,0,0,0|1,0,0]=4 2158 B13R1.18 O=C(NCCI)c1cccc(n1)I fdf99124753cb12cc9cd8ac27d22452a [0,3,0,0,0,0|1,0,0]=4 2159 B13R1.18 O=C(NCCI)c1cccc(n1)O 32f8f7f3e48de9744a43af1c28a69fc3 [0,3,0,0,0,0|1,0,0]=4 2160 B13R1.18 O=C(NCCI)c1ccnc(c1)Br 19bca05ab3c6869b9dbf6a15abb27e95 [0,3,0,0,0,0|1,0,0]=4 2161 B13R1.18 O=C(NCCI)c1ccnc(c1)Cl 8c42d32efee53275ec40f37b9fc7429d [0,3,0,0,0,0|1,0,0]=4 2162 B13R1.18 O=C(NCCI)c1ccnc(c1)F ac6abecbef73a351e4c2d94a9061ac19 [0,3,0,0,0,0|1,0,0]=4 2163 B13R1.18 O=C(NCCI)c1ccnc(c1)I 3e61658890ac423a7e2019de46beef96 [0,3,0,0,0,0|1,0,0]=4 2164 B13R1.18 O=C(NCCI)c1ccnc(c1)O 308e45272e46b98a48579dffd051a8c8 [0,3,0,0,0,0|1,0,0]=4 2165 B13R1.18 O=C(NCCI)c1ccnc(c1)S 7c3a68a6ed89de839e4e4dc7dd7aaa0e [0,3,0,0,0,0|1,0,0]=4 2166 B13R1.18 O=C(NCCI)c1cncc(c1)Br 8a624b46035f1bcad50a6a6486c94b0a [0,3,0,0,0,0|1,0,0]=4 2167 B13R1.18 O=C(NCCI)c1cncc(c1)Cl 7e7f6884edf77450bf602fe7fceb4d0f [0,3,0,0,0,0|1,0,0]=4 2168 B13R1.18 O=C(NCCI)c1cncc(c1)F ebfbf3933822e61958b9451b47d03d28 [0,3,0,0,0,0|1,0,0]=4 2169 B13R1.18 O=C(NCCI)c1cncc(c1)I 8789b09c05d99f733086144fff8de191 [0,3,0,0,0,0|1,0,0]=4 2170 B13R1.18 O=C(NCCI)c1cncc(c1)O e55857ce01c08e2204b8b4635257abe0 [0,3,0,0,0,0|1,0,0]=4 2171 B13R1.18 O=C(NCCO)c1cc(=O)cco1 2a554c32fad23140d1a2c54330de9d7d [0,3,0,0,0,0|1,0,0]=4 2172 B13R1.18 O=C(NCCO)c1cc(ccn1)Br fd472ad9a24994216791efa1ab892b9b [0,3,0,0,0,0|1,0,0]=4 2173 B13R1.18 O=C(NCCO)c1cc(ccn1)Cl 9bf574f4a528d79a1d066fceb7f42e53 [0,3,0,0,0,0|1,0,0]=4 2174 B13R1.18 O=C(NCCO)c1cc(ccn1)F 5880b73d3fe26a652d3ba42136b569e0 [0,3,0,0,0,0|1,0,0]=4 2175 B13R1.18 O=C(NCCO)c1cc(ccn1)I d78ef6908c6d84a2e61a370af9ecb35d [0,3,0,0,0,0|1,0,0]=4 2176 B13R1.18 O=C(NCCO)c1cc(ccn1)O 4997633b036413feeb6495dd3754d5c9 [0,3,0,0,0,0|1,0,0]=4 2177 B13R1.18 O=C(NCCO)c1ccc[n+](c1)[O-] 5f1db5dc8c380c7734aabf0607295c06 [0,3,0,0,0,0|1,0,0]=4 2178 B13R1.18 O=C(NCCO)c1cccc(c1)Br ff73c0ae30b69560706a56e1b7b1ade3 [0,3,0,0,0,0|0,0,0]=3 2179 B13R1.18 O=C(NCCO)c1cccc(c1)Cl 60996d522062ebe2037957747b984a94 [0,3,0,0,0,0|0,0,0]=3 2180 B13R1.18 O=C(NCCO)c1cccc(c1)F afe3b0323fbe23de67c79b37e9520bf8 [0,3,0,0,0,0|0,0,0]=3 2181 B13R1.18 O=C(NCCO)c1cccc(c1)I 91ee066efad0db3a7e4ba943cd52693c [0,3,0,0,0,0|0,0,0]=3 2182 B13R1.18 O=C(NCCO)c1cccc(c1)O 920d21a92babc99a28041bf08c57aa61 [0,3,0,0,0,0|0,0,0]=3 2183 B13R1.18 O=C(NCCO)c1cccc(c1)S 3a949468b37171809608d4d9632ce831 [0,3,0,0,0,0|0,0,0]=3 2184 B13R1.18 O=C(NCCO)c1cccc(n1)Br bb6beda290765cc3611a511258066d14 [0,3,0,0,0,0|1,0,0]=4 2185 B13R1.18 O=C(NCCO)c1cccc(n1)Cl 9dd58dc8087adbe913c79369811548fb [0,3,0,0,0,0|1,0,0]=4 2186 B13R1.18 O=C(NCCO)c1cccc(n1)F 7f8ebd5fb5386d8fd9c715c450af6c27 [0,3,0,0,0,0|1,0,0]=4 2187 B13R1.18 O=C(NCCO)c1cccc(n1)I b3de9504ab54b95990ea463611b60245 [0,3,0,0,0,0|1,0,0]=4 2188 B13R1.18 O=C(NCCO)c1cccc(n1)O 1e8ea297f46b4303c640541b550d0c94 [0,3,0,0,0,0|1,0,0]=4 2189 B13R1.18 O=C(NCCO)c1ccnc(c1)Br 1b7841baca4da474422dd78d4123e2fa [0,3,0,0,0,0|1,0,0]=4 2190 B13R1.18 O=C(NCCO)c1ccnc(c1)Cl af64e41c25b3884eebac5aabfc1b205b [0,3,0,0,0,0|1,0,0]=4 2191 B13R1.18 O=C(NCCO)c1ccnc(c1)F d8a5e92f04031239536331329fccd160 [0,3,0,0,0,0|1,0,0]=4 2192 B13R1.18 O=C(NCCO)c1ccnc(c1)I 970e1e105bb183ecfaef29d5cdc5d8a9 [0,3,0,0,0,0|1,0,0]=4 2193 B13R1.18 O=C(NCCO)c1ccnc(c1)O 71d3d4aca97f82f7e1c6c3421b0ba96b [0,3,0,0,0,0|1,0,0]=4 2194 B13R1.18 O=C(NCCO)c1ccnc(c1)S 3710db95e2533e6d070c9a232a58959f [0,3,0,0,0,0|1,0,0]=4 2195 B13R1.18 O=C(NCCO)c1cncc(c1)Br c77aab70635a80bf62ff5c3c0d6182be [0,3,0,0,0,0|1,0,0]=4 2196 B13R1.18 O=C(NCCO)c1cncc(c1)Cl 11021af1d5bb1ecbd94c1167c54bed67 [0,3,0,0,0,0|1,0,0]=4 2197 B13R1.18 O=C(NCCO)c1cncc(c1)F cbff7ecd18d8fd5d191b97f5b4b56588 [0,3,0,0,0,0|1,0,0]=4 2198 B13R1.18 O=C(NCCO)c1cncc(c1)I b73dd312cf974f663db4319e8edea5a8 [0,3,0,0,0,0|1,0,0]=4 2199 B13R1.18 O=C(NCCO)c1cncc(c1)O 59865a5381dd97974bd515b8fe1c971d [0,3,0,0,0,0|1,0,0]=4 2200 B13R1.18 O=C(NCCS)c1cc(=O)cco1 55304a6743847a2f2b14d478927d3492 [0,3,0,0,0,0|1,0,0]=4 2201 B13R1.18 O=C(NCCS)c1cc(ccn1)Br 257fb5894c717d887dd9b53bdfe55c65 [0,3,0,0,0,0|1,0,0]=4 2202 B13R1.18 O=C(NCCS)c1cc(ccn1)Cl 2f4fbcdd086214a57d80ea1a8fe88566 [0,3,0,0,0,0|1,0,0]=4 2203 B13R1.18 O=C(NCCS)c1cc(ccn1)F b34e7cc031d2ee208225f63bbf48b545 [0,3,0,0,0,0|1,0,0]=4 2204 B13R1.18 O=C(NCCS)c1cc(ccn1)I 775bf5cf819d31f4a81a02e4434eec25 [0,3,0,0,0,0|1,0,0]=4 2205 B13R1.18 O=C(NCCS)c1cc(ccn1)O 8c0d55f2fb86a6bfcb7c800b193bb57a [0,3,0,0,0,0|1,0,0]=4 2206 B13R1.18 O=C(NCCS)c1ccc[n+](c1)[O-] 74abed80bee154234bfe8cb611271a39 [0,3,0,0,0,0|1,0,0]=4 2207 B13R1.18 O=C(NCCS)c1cccc(c1)Br b266a325f1e825a4081ac51b303be8f8 [0,3,0,0,0,0|0,0,0]=3 2208 B13R1.18 O=C(NCCS)c1cccc(c1)Cl 8b872183d12a61dfc313340586291813 [0,3,0,0,0,0|0,0,0]=3 2209 B13R1.18 O=C(NCCS)c1cccc(c1)F 9a6a97c05b5895803310bd5674d19272 [0,3,0,0,0,0|0,0,0]=3 2210 B13R1.18 O=C(NCCS)c1cccc(c1)I 36584cbf97d27ff3166ea0ea49f631f3 [0,3,0,0,0,0|0,0,0]=3 2211 B13R1.18 O=C(NCCS)c1cccc(c1)O 2bdb87f2f5f988d9471e0091f699fe78 [0,3,0,0,0,0|0,0,0]=3 2212 B13R1.18 O=C(NCCS)c1cccc(c1)S 426323ade5699f7f0a8a0f53cc1bc2eb [0,3,0,0,0,0|0,0,0]=3 2213 B13R1.18 O=C(NCCS)c1cccc(n1)Br 8f20c59eccfc502dd5a932436e138e90 [0,3,0,0,0,0|1,0,0]=4 2214 B13R1.18 O=C(NCCS)c1cccc(n1)Cl 828b58b51fb07f1380ed41dafabe136c [0,3,0,0,0,0|1,0,0]=4 2215 B13R1.18 O=C(NCCS)c1cccc(n1)F 40bd25c24f424106a897134b44360265 [0,3,0,0,0,0|1,0,0]=4 2216 B13R1.18 O=C(NCCS)c1cccc(n1)I eabefd74cf00bbeba11dd1fba4341728 [0,3,0,0,0,0|1,0,0]=4 2217 B13R1.18 O=C(NCCS)c1cccc(n1)O 533f7d7d9677db741abe9ab7b54ca8af [0,3,0,0,0,0|1,0,0]=4 2218 B13R1.18 O=C(NCCS)c1ccnc(c1)Br ee906c0b8ce9e8db29c823278cdaa0f5 [0,3,0,0,0,0|1,0,0]=4 2219 B13R1.18 O=C(NCCS)c1ccnc(c1)Cl 1247536c22dd9256c3fff2a5712526f7 [0,3,0,0,0,0|1,0,0]=4 2220 B13R1.18 O=C(NCCS)c1ccnc(c1)F e41ebf30dda85b2a5acf859b4e8354ce [0,3,0,0,0,0|1,0,0]=4 2221 B13R1.18 O=C(NCCS)c1ccnc(c1)I 257b8d28d24d9f4839d85b452542c685 [0,3,0,0,0,0|1,0,0]=4 2222 B13R1.18 O=C(NCCS)c1ccnc(c1)O 752e921169d56a352d22e1a596039032 [0,3,0,0,0,0|1,0,0]=4 2223 B13R1.18 O=C(NCCS)c1ccnc(c1)S ecd0e7d5d308d6d8ab305258df477645 [0,3,0,0,0,0|1,0,0]=4 2224 B13R1.18 O=C(NCCS)c1cncc(c1)Br 4db6e284c20433552ab0182a0774f727 [0,3,0,0,0,0|1,0,0]=4 2225 B13R1.18 O=C(NCCS)c1cncc(c1)Cl 6937d3a79e2f19e372f498205a215e84 [0,3,0,0,0,0|1,0,0]=4 2226 B13R1.18 O=C(NCCS)c1cncc(c1)F 811a9c43f6162e2f3539bd228dd47f7c [0,3,0,0,0,0|1,0,0]=4 2227 B13R1.18 O=C(NCCS)c1cncc(c1)I f932cf7d4a3afb89f545f58bf637f728 [0,3,0,0,0,0|1,0,0]=4 2228 B13R1.18 O=C(NCCS)c1cncc(c1)O c18769cbfd2a692227d864296302198b [0,3,0,0,0,0|1,0,0]=4 2229 B13R1.446 Cc1ccc(c(c1)C(=O)NC#N)C d2a7b6fae2d94677fd6315ac5ae526de [0,3,0,0,0,0|0,0,1]=4 2230 B13R1.446 Cc1ccc(c(c1)C(=O)NC#N)Cl d64a0b7f20c3c87a0ad6f20e29511d4d [0,3,0,0,0,0|0,0,1]=4 2231 B13R1.446 Cc1ccc(c(c1)C(=O)NC#N)F 9738cd0981a085f428fd04f4c816b173 [0,3,0,0,0,0|0,0,1]=4 2232 B13R1.446 Cc1ccc(c(c1)C(=O)NC#N)I fbb804219df2eb6e11cab81edc406e9e [0,3,0,0,0,0|0,0,1]=4 2233 B13R1.446 Cc1ccc(cc1C(=O)NC#N)Br 319e7eccfb5f51fe1f48a74b072c45b1 [0,3,0,0,0,0|0,0,1]=4 2234 B13R1.446 Cc1ccc(cc1C(=O)NC#N)Cl 6bdef8bcaa82f5750dc3a4a019d0ce16 [0,3,0,0,0,0|0,0,1]=4 2235 B13R1.446 Cc1ccc(cc1C(=O)NC#N)F 371ec8013448c4ee6f791155351c6d1c [0,3,0,0,0,0|0,0,1]=4 2236 B13R1.446 Cc1ccc(cc1C(=O)NC#N)I 480476dea07d69984bb2229becc75a4f [0,3,0,0,0,0|0,0,1]=4 2237 B13R1.446 Cc1ccc(cc1C(=O)NC#N)O 78f00430ca8ba6f3d78a4b4a87687516 [0,3,0,0,0,0|0,0,1]=4 2238 B13R1.446 Cc1ccc(cc1C(=O)NC#N)S d099f8425cf4bc17e59ba0a7f97bd48b [0,3,0,0,0,0|0,0,1]=4 2239 B13R1.446 N#CNC(=O)c1cc(ccc1Br)I f408a42e1ea40907df57d9416f62e464 [0,3,0,0,0,0|0,0,1]=4 2240 B13R1.446 N#CNC(=O)c1cc(ccc1Br)O e5c12d6c6935b087b14c1fd88aee1228 [0,3,0,0,0,0|0,0,1]=4 2241 B13R1.446 N#CNC(=O)c1cc(ccc1Cl)Cl 35dc8bec661361c86ea9ef07e7df8710 [0,3,0,0,0,0|0,0,1]=4 2242 B13R1.446 N#CNC(=O)c1cc(ccc1Cl)F f89a82e4b96fed38c61510753ad6a42d [0,3,0,0,0,0|0,0,1]=4 2243 B13R1.446 N#CNC(=O)c1cc(ccc1Cl)I 010c5f687ba22d7ae93401533f611f2e [0,3,0,0,0,0|0,0,1]=4 2244 B13R1.446 N#CNC(=O)c1cc(ccc1Cl)O 585190515243241622b4400a2ef2432d [0,3,0,0,0,0|0,0,1]=4 2245 B13R1.446 N#CNC(=O)c1cc(ccc1F)Br 4a81584cbe2c6796eb8f9a75be1f13fc [0,3,0,0,0,0|0,0,1]=4 2246 B13R1.446 N#CNC(=O)c1cc(ccc1F)Cl 15c3e728a2b485e16ec00dfef62aaa72 [0,3,0,0,0,0|0,0,1]=4 2247 B13R1.446 N#CNC(=O)c1cc(ccc1F)F 65f59d78b4ff3c2b5645466b0f1eee5a [0,3,0,0,0,0|0,0,1]=4 2248 B13R1.446 N#CNC(=O)c1cc(ccc1F)I ef84a9d4e43b22cef32cd63df9912249 [0,3,0,0,0,0|0,0,1]=4 2249 B13R1.446 N#CNC(=O)c1cc(ccc1F)O 1c0fa503c4a0cbfa1406cccbbbf0b5b2 [0,3,0,0,0,0|0,0,1]=4 2250 B13R1.446 N#CNC(=O)c1cc(ccc1I)Br 140f0aad7abf0168bacae7f1b60c7681 [0,3,0,0,0,0|0,0,1]=4 2251 B13R1.446 N#CNC(=O)c1cc(ccc1I)Cl abe8e3d5519f064f6d08de1f36906d5e [0,3,0,0,0,0|0,0,1]=4 2252 B13R1.446 N#CNC(=O)c1cc(ccc1I)F 292e25feff4c5502f83d727cebf27be6 [0,3,0,0,0,0|0,0,1]=4 2253 B13R1.446 N#CNC(=O)c1cc(ccc1I)I 68a1bfd8d043c81e58438b7f999fafe8 [0,3,0,0,0,0|0,0,1]=4 2254 B13R1.446 N#CNC(=O)c1cc(ccc1I)O 11b3abb1c98d968c2111022654c6b9a6 [0,3,0,0,0,0|0,0,1]=4 2255 B13R1.446 N#CNC(=O)c1cc(ccc1O)I 5b65f24d82b6ece1f9f49f7f8f064f77 [0,3,0,0,0,0|0,0,1]=4 2256 B13R1.446 N#CNC(=O)c1cc(ccc1O)O 594a14f79c199877168ad6fd3be3bff8 [0,3,0,0,0,0|0,0,1]=4 2257 B13R1.446 N#CNC(=O)c1cc(ccc1S)Br 57ca1aea77ba34791a6404e85083b4f6 [0,3,0,0,0,0|0,0,1]=4 2258 B13R1.446 N#CNC(=O)c1cc(ccc1S)F c13446c3f986b10e1e48da22f9732a24 [0,3,0,0,0,0|0,0,1]=4 2259 B13R1.450 Cc1cc(cc(c1)C(=O)NC#N)Br 535c1b7edcf9e64cdb6777fa035a0841 [0,3,0,0,0,0|0,0,1]=4 2260 B13R1.450 Cc1cc(cc(c1)C(=O)NC#N)C 7646d5b890c7e91dde44f50943f82c9c [0,3,0,0,0,0|0,0,1]=4 2261 B13R1.450 Cc1cc(cc(c1)C(=O)NC#N)Cl 0f0b0643538895055a1b43cd9f553b72 [0,3,0,0,0,0|0,0,1]=4 2262 B13R1.450 Cc1cc(cc(c1)C(=O)NC#N)F 265063dd40d47893388dd647c2ff258d [0,3,0,0,0,0|0,0,1]=4 2263 B13R1.450 Cc1cc(cc(c1)C(=O)NC#N)I 5cfa22a8963bd9f31711bb75631187d1 [0,3,0,0,0,0|0,0,1]=4 2264 B13R1.450 Cc1cc(cc(c1)C(=O)NC#N)O dba0bd00ad18e0b94b0e79122f45f30d [0,3,0,0,0,0|0,0,1]=4 2265 B13R1.450 N#CNC(=O)c1cc(cc(c1)Br)Br 4ab6fb48f0ad644ebf4e756e455de201 [0,3,0,0,0,0|0,0,1]=4 2266 B13R1.450 N#CNC(=O)c1cc(cc(c1)Br)Cl 65b8c8e6054d9e77a5d85f522adf8427 [0,3,0,0,0,0|0,0,1]=4 2267 B13R1.450 N#CNC(=O)c1cc(cc(c1)Br)F 7092d279611907d174101ca0210ccb9a [0,3,0,0,0,0|0,0,1]=4 2268 B13R1.450 N#CNC(=O)c1cc(cc(c1)Br)O 1ca9c7487ff62e3474f1746258d67ef5 [0,3,0,0,0,0|0,0,1]=4 2269 B13R1.450 N#CNC(=O)c1cc(cc(c1)Cl)Cl 7aecbf150600c37e51129c5a34ef9b39 [0,3,0,0,0,0|0,0,1]=4 2270 B13R1.450 N#CNC(=O)c1cc(cc(c1)Cl)F 0b3e22abdba5cca1081d03b403ed4cae [0,3,0,0,0,0|0,0,1]=4 2271 B13R1.450 N#CNC(=O)c1cc(cc(c1)Cl)O 484be622cd7b6c40590f770d19c9f19b [0,3,0,0,0,0|0,0,1]=4 2272 B13R1.450 N#CNC(=O)c1cc(cc(c1)F)F b2bc3e5e16f2ece79b27bd16ac36cecc [0,3,0,0,0,0|0,0,1]=4 2273 B13R1.450 N#CNC(=O)c1cc(cc(c1)F)O 545544c38ca8b7922c904f5055b492e1 [0,3,0,0,0,0|0,0,1]=4 2274 B13R1.450 N#CNC(=O)c1cc(cc(c1)I)Br 36f58e7dd3a836f262551e1c508d0c32 [0,3,0,0,0,0|0,0,1]=4 2275 B13R1.450 N#CNC(=O)c1cc(cc(c1)I)F a759ced9fcf5b5b5eebd71f99cc99143 [0,3,0,0,0,0|0,0,1]=4 2276 B13R1.450 N#CNC(=O)c1cc(cc(c1)I)I 14a6926c9902e2aac78daa9912a069a5 [0,3,0,0,0,0|0,0,1]=4 2277 B13R1.450 N#CNC(=O)c1cc(cc(c1)I)O 84a6e114e7a2cc1ea27753502790b411 [0,3,0,0,0,0|0,0,1]=4 2278 B13R1.450 N#CNC(=O)c1cc(cc(c1)O)O 763ab65b4ce5324e52e83ceabf511cb0 [0,3,0,0,0,0|0,0,1]=4 2279 B13R1.460 C#Cc1cccc(c1)C(=O)NC#N 76fd0b9f61e53f0b5aeea19d78dc3873 [0,3,0,0,0,0|0,0,1]=4 2280 B13R1.460 C=Cc1cccc(c1)C(=O)NC#N 3976a1531953704ebdde38f8eaa364cd [0,3,0,0,0,0|0,0,1]=4 2281 B13R1.460 CCc1cccc(c1)C(=O)NC#N c182e1cd26f9f01ed101a53bcae23e42 [0,3,0,0,0,0|0,0,1]=4 2282 B13R1.460 COc1cccc(c1)C(=O)NC#N 834bb7b4b910b45adcc7294e735f3632 [0,3,0,0,0,0|0,0,1]=4 2283 B13R1.460 CSc1cccc(c1)C(=O)NC#N 977056c58f2ba2a32bb1aff9294d62ea [0,3,0,0,0,0|0,0,1]=4 2284 B13R1.460 N#CNC(=O)c1cccc(c1)C#N 6a8da1ebf99c1a7e6b386ef6c3f33f3a [0,3,0,0,0,0|0,0,1]=4 2285 B13R1.460 N#CNC(=O)c1cccc(c1)C=O f0572b820051e57c7e3d3eff7fc55f71 [0,3,0,0,0,0|0,0,1]=4 2286 B13R1.460 N#CNC(=O)c1cccc(c1)CO 95d627ab7943c695113362d5c743134a [0,3,0,0,0,0|0,0,1]=4 2287 B13R1.460 N#CNC(=O)c1cccc(c1)CS 493f3a0c4fd41a6c65e45b9fdf44fdcb [0,3,0,0,0,0|0,0,1]=4 2288 B13R1.24 C#CCCNC(=O)c1ccccc1 1ab9df97855d389ba231430e3e5312d1 [0,3,0,0,0,0|0,0,0]=3 2289 B13R1.24 C#CCCNC(=O)c1ccccn1 a88d305e250e45c7a91d7468b0d62e77 [0,3,0,0,0,0|1,0,0]=4 2290 B13R1.24 C#CCCNC(=O)c1cccnc1 c425a7808cdeef37f8e85a37a18ad6f9 [0,3,0,0,0,0|1,0,0]=4 2291 B13R1.24 C#CCCNC(=O)c1ccncc1 4347bd96bdb1f4c85d4962cd06d0de25 [0,3,0,0,0,0|1,0,0]=4 2292 B13R1.24 C#CCNCC(=O)c1ccccc1 b252d4288171bf8334b7853aa2a209ea [0,3,0,0,0,0|0,0,0]=3 2293 B13R1.24 C#CCNCC(=O)c1ccccn1 ebd244b3a1cab8dde9a1b6aa1ea01d64 [0,3,0,0,0,0|1,0,0]=4 2294 B13R1.24 C#CCNCC(=O)c1cccnc1 e09af0626be92e4f5699b6b1dd2d50d7 [0,3,0,0,0,0|1,0,0]=4 2295 B13R1.24 C#CCOCC(=O)c1ccccc1 c3a5116e78820212fafc7e745624df7f [0,3,0,0,0,0|1,0,0]=4 2296 B13R1.24 C=C(CNCCBr)c1ccccc1 f2d709ec51c870a4ec52ff1bac7613d7 [0,3,0,0,0,0|1,0,0]=4 2297 B13R1.24 C=C(CNCCF)c1ccccc1 f83b15b4cb4a185eb4fb77412abb975f [0,3,0,0,0,0|1,0,0]=4 2298 B13R1.24 C=C(CNCCI)c1ccccc1 2e7dec00a2f463997d246e9c2c15c719 [0,3,0,0,0,0|1,0,0]=4 2299 B13R1.24 C=C(CNCCO)c1ccccc1 16fe9e8143270f45529b13ec424ecd13 [0,3,0,0,0,0|1,0,0]=4 2300 B13R1.24 C=C(CNCCS)c1ccccc1 9b9cfc1bfa3c8f562d2477dd0810888f [0,3,0,0,0,0|1,0,0]=4 2301 B13R1.24 C=CCCNC(=O)c1ccccc1 0608df95d628798206adf4a4e754e109 [0,3,0,0,0,0|0,0,0]=3 2302 B13R1.24 C=CCCNC(=O)c1ccccn1 4788e753c7a25778c049561d8ecf50e4 [0,3,0,0,0,0|1,0,0]=4 2303 B13R1.24 C=CCCNC(=O)c1cccnc1 79a9ad615f1d2a800434cb731960136f [0,3,0,0,0,0|1,0,0]=4 2304 B13R1.24 C=CCCNC(=O)c1ccncc1 62b4493c4e32c9c623b4cb8f1fee5927 [0,3,0,0,0,0|1,0,0]=4 2305 B13R1.24 C=CCNCC(=O)c1ccccc1 bac3bf5407b90879442faac86ac4e8a0 [0,3,0,0,0,0|0,0,0]=3 2306 B13R1.24 C=CCOCC(=O)c1ccccc1 b2be677be785c6a77a849babe92b7086 [0,3,0,0,0,0|1,0,0]=4 2307 B13R1.24 CC#CCNC(=O)c1ccccc1 29541903d8b44e503bc835d0f130d9ba [0,3,0,0,0,0|0,0,0]=3 2308 B13R1.24 CC#CCNC(=O)c1ccccn1 9b512a05e70442955c6d79e4ee6db29d [0,3,0,0,0,0|1,0,0]=4 2309 B13R1.24 CC#CCNC(=O)c1cccnc1 aa376c1c5e4a20b6375528b5e67d288d [0,3,0,0,0,0|1,0,0]=4 2310 B13R1.24 CC#CCNC(=O)c1ccncc1 c09b57abe31f65460bc8d30341ad417f [0,3,0,0,0,0|1,0,0]=4 2311 B13R1.24 CC=CCNC(=O)c1ccccc1 0af23d23d24c444828921ec9cd17aae0 [0,3,0,0,0,0|0,0,0]=3 2312 B13R1.24 CC=CCNC(=O)c1ccccn1 7ef6c69019c0fbdcc604f1f85a3b553d [0,3,0,0,0,0|1,0,0]=4 2313 B13R1.24 CC=CCNC(=O)c1cccnc1 153fe8051aac8ee7a248410688502d58 [0,3,0,0,0,0|1,0,0]=4 2314 B13R1.24 CC=CCNC(=O)c1ccncc1 43246ddf008093c073534f2c72382be1 [0,3,0,0,0,0|1,0,0]=4 2315 B13R1.24 CCCCNC(=O)c1ccccc1 99aac20acff97b38b71835a38991434c [0,3,0,0,0,0|0,0,0]=3 2316 B13R1.24 CCCCNC(=O)c1ccccn1 e2650feea24ca80c17dfb4597476b32e [0,3,0,0,0,0|1,0,0]=4 2317 B13R1.24 CCCCNC(=O)c1cccnc1 28676687860046409f3a17da4b2bf927 [0,3,0,0,0,0|1,0,0]=4 2318 B13R1.24 CCCCNC(=O)c1ccncc1 45bf4079e762a938f4e5aa1e26b0f105 [0,3,0,0,0,0|1,0,0]=4 2319 B13R1.24 CCCNCC(=O)c1ccccc1 48fbf30db6382cb4b2aad3c23f152050 [0,3,0,0,0,0|0,0,0]=3 2320 B13R1.24 CCCNCC(=O)c1ccccn1 b5b83294351e5de62eefe79416e3decf [0,3,0,0,0,0|1,0,0]=4 2321 B13R1.24 CCCNCC(=O)c1cccnc1 c0c7f9b131fa79a55369b395104475a4 [0,3,0,0,0,0|1,0,0]=4 2322 B13R1.24 CCCOCC(=O)c1ccccc1 fafbf9582888297afc92283765371327 [0,3,0,0,0,0|1,0,0]=4 2323 B13R1.24 CCOCCC(=O)c1ccccc1 a6e0d6be21888dbba948192f59c92561 [0,3,0,0,0,0|1,0,0]=4 2324 B13R1.24 CCOCNC(=O)c1ccccc1 ccf2c03b54c5f75f969a54da2fc3c152 [0,3,0,0,0,0|0,0,0]=3 2325 B13R1.24 CCOCNC(=O)c1cccnc1 86c896ffcc3b435bf6600414263c8c72 [0,3,0,0,0,0|1,0,0]=4 2326 B13R1.24 COCCNC(=O)c1ccccc1 b8bdb69f469dbcccd4aebf3e52009e23 [0,3,0,0,0,0|0,0,0]=3 2327 B13R1.24 COCCNC(=O)c1ccccn1 71dce32a99bc1ed7bfc479a764a118c0 [0,3,0,0,0,0|1,0,0]=4 2328 B13R1.24 COCCNC(=O)c1cccnc1 a2f9cb310c0add7a547dc84190f0127f [0,3,0,0,0,0|1,0,0]=4 2329 B13R1.24 COCCNC(=O)c1ccncc1 cb08073438c2bbec00576a4331da06e3 [0,3,0,0,0,0|1,0,0]=4 2330 B13R1.24 COCNCC(=O)c1ccccc1 44f961dc30cf452e9f5fa4660d0a10ec [0,3,0,0,0,0|0,0,0]=3 2331 B13R1.24 COCOCC(=O)c1ccccc1 83c820df9692b3b1dbdce14eae5f0594 [0,3,0,0,0,0|1,0,0]=4 2332 B13R1.24 CSCCNC(=O)c1ccccc1 6500472e8f8e4c41049bdb6932e83240 [0,3,0,0,0,0|0,0,0]=3 2333 B13R1.24 CSCCNC(=O)c1ccccn1 664d6a119038593884e34213a1f20c6d [0,3,0,0,0,0|1,0,0]=4 2334 B13R1.24 CSCCNC(=O)c1cccnc1 052befa0306b405ce736227c046df0d7 [0,3,0,0,0,0|1,0,0]=4 2335 B13R1.24 CSCCNC(=O)c1ccncc1 d28f9ec4256bb78359a3f0516d1f63d2 [0,3,0,0,0,0|1,0,0]=4 2336 B13R1.24 CSCNCC(=O)c1ccccc1 aeb61a1bfc7cddd521fa2ae019334296 [0,3,0,0,0,0|0,0,0]=3 2337 B13R1.24 CSCOCC(=O)c1ccccc1 40a97e0dcc8b2710695a7d10950b8d18 [0,3,0,0,0,0|1,0,0]=4 2338 B13R1.24 N#CCCNC(=O)c1ccccc1 25b61ff28bc3c038e199d15b9aab7acf [0,3,0,0,0,0|0,0,0]=3 2339 B13R1.24 N#CCCNC(=O)c1ccccn1 5b040c590a5b100434caf41dc6133bf8 [0,3,0,0,0,0|1,0,0]=4 2340 B13R1.24 N#CCCNC(=O)c1cccnc1 d4951c63a14879410e432220790e4c84 [0,3,0,0,0,0|1,0,0]=4 2341 B13R1.24 N#CCCNC(=O)c1ccncc1 6bbd70308354ea7881d538fdb5a161c1 [0,3,0,0,0,0|1,0,0]=4 2342 B13R1.24 N#CCNCC(=O)c1ccccc1 bb34cf3fe29bc7ebc43138a7c3ef10fa [0,3,0,0,0,0|0,0,0]=3 2343 B13R1.24 N#CCNCC(=O)c1ccccn1 ff93ab8299118608f9988e6c3173ae22 [0,3,0,0,0,0|1,0,0]=4 2344 B13R1.24 N#CCNCC(=O)c1cccnc1 bb4bc7b0b923eaebe569c94271ae6ffa [0,3,0,0,0,0|1,0,0]=4 2345 B13R1.24 N#CCOCC(=O)c1ccccc1 238c3f54e9f92434abcb0073b0b84517 [0,3,0,0,0,0|1,0,0]=4 2346 B13R1.24 N#CNCOC(=O)c1ccccc1 80fefb85f9ccaa7a31c37cfb99760a5f [0,3,0,0,0,0|0,0,1]=4 2347 B13R1.24 NOCCNC(=O)c1ccccc1 8a5fa2770bb8d30adaebefe012133a44 [0,3,0,0,0,0|0,0,0]=3 2348 B13R1.24 NOCCNC(=O)c1ccccn1 625d8e01b9b89cc60634f69f11cd2c98 [0,3,0,0,0,0|1,0,0]=4 2349 B13R1.24 NOCCNC(=O)c1cccnc1 735a6122929c06e683ac813ac20d3396 [0,3,0,0,0,0|1,0,0]=4 2350 B13R1.24 NOCCNC(=O)c1ccncc1 ef5e49b2f256176d06dd0c793c3c91c1 [0,3,0,0,0,0|1,0,0]=4 2351 B13R1.24 O=C(CCOCF)c1ccccc1 1237eef9c45ef06dfd3da7be481e3a9e [0,3,0,0,0,0|1,0,0]=4 2352 B13R1.24 O=C(CNCCBr)c1ccccc1 a38f41f3a5ae52e734c810a3a9bf5d32 [0,3,0,0,0,0|0,0,0]=3 2353 B13R1.24 O=C(CNCCBr)c1ccccn1 e0e1b35b315dcde2321e7fc030e26f5e [0,3,0,0,0,0|1,0,0]=4 2354 B13R1.24 O=C(CNCCBr)c1cccnc1 20c228bdadf6f6987c9f5c67ce74cfaf [0,3,0,0,0,0|1,0,0]=4 2355 B13R1.24 O=C(CNCCF)c1ccccc1 214fd0f4f5e525f079604687428b491e [0,3,0,0,0,0|0,0,0]=3 2356 B13R1.24 O=C(CNCCF)c1ccccn1 3957001fb94a0b57d16e09fd88c05ea3 [0,3,0,0,0,0|1,0,0]=4 2357 B13R1.24 O=C(CNCCF)c1cccnc1 57a8f133c6423d3dd3aa691d37e3e9aa [0,3,0,0,0,0|1,0,0]=4 2358 B13R1.24 O=C(CNCCI)c1ccccc1 a71d041a3a395aaa7ce8e61c655578b7 [0,3,0,0,0,0|0,0,0]=3 2359 B13R1.24 O=C(CNCCI)c1ccccn1 26ab07659f210f89840d59aecac9aad6 [0,3,0,0,0,0|1,0,0]=4 2360 B13R1.24 O=C(CNCCI)c1cccnc1 136a2047737931f3b853f0ebca1cbecc [0,3,0,0,0,0|1,0,0]=4 2361 B13R1.24 O=C(CNCCO)c1ccccc1 60fc64e7dfba65baef92157ef0478d91 [0,3,0,0,0,0|0,0,0]=3 2362 B13R1.24 O=C(CNCCO)c1ccccn1 60855de0200401f14660a6037705cb80 [0,3,0,0,0,0|1,0,0]=4 2363 B13R1.24 O=C(CNCCO)c1cccnc1 1020fadcc2dc2a1fd0dd3f3a59004ffb [0,3,0,0,0,0|1,0,0]=4 2364 B13R1.24 O=C(CNCCS)c1ccccc1 398abb5acd94e59165e73ac1f020a734 [0,3,0,0,0,0|0,0,0]=3 2365 B13R1.24 O=C(CNCCS)c1ccccn1 cf510bd2c6131c735929a7588c89c504 [0,3,0,0,0,0|1,0,0]=4 2366 B13R1.24 O=C(CNCCS)c1cccnc1 87500e7066cb2672abf5c0ff2ed5d2d3 [0,3,0,0,0,0|1,0,0]=4 2367 B13R1.24 O=C(COCCF)c1ccccc1 0379d66e9d5f5e002a51f8fcce067389 [0,3,0,0,0,0|1,0,0]=4 2368 B13R1.24 O=C(COCCS)c1ccccc1 638c6bad091c24d29f577840210c801b [0,3,0,0,0,0|1,0,0]=4 2369 B13R1.24 O=C(NCCCCl)c1ccccc1 d04c1f75bc42d25a9f1002447a634bc8 [0,3,0,0,0,0|0,0,0]=3 2370 B13R1.24 O=C(NCCCCl)c1ccccn1 7ba68c4976998f1fc38d3d04e9be8231 [0,3,0,0,0,0|1,0,0]=4 2371 B13R1.24 O=C(NCCCCl)c1cccnc1 2fee80233ae9d1090fcda45455c64f11 [0,3,0,0,0,0|1,0,0]=4 2372 B13R1.24 O=C(NCCCCl)c1ccncc1 34a9e3cb9c6e6028501485979a342b6f [0,3,0,0,0,0|1,0,0]=4 2373 B13R1.24 O=C(NCCCO)c1ccccc1 f6ee9332b3ae90eb49159f9f34e99516 [0,3,0,0,0,0|0,0,0]=3 2374 B13R1.24 O=C(NCCCO)c1ccccn1 0c4114e0a2b3f9b1513b7dedd480325c [0,3,0,0,0,0|1,0,0]=4 2375 B13R1.24 O=C(NCCCO)c1cccnc1 24fcb5e1ed28c9da33f23773cf322bd2 [0,3,0,0,0,0|1,0,0]=4 2376 B13R1.24 O=C(NCCCO)c1ccncc1 2b055dc71b74090ea0d8c579dff68503 [0,3,0,0,0,0|1,0,0]=4 2377 B13R1.24 O=C(NCOCF)c1ccccc1 41f8b04f0f128cfc10f9fc9dff5352eb [0,3,0,0,0,0|0,0,0]=3 2378 B13R1.24 O=C(NCOCF)c1cccnc1 8dc3e81c82d8920a8073ccc6b58acacf [0,3,0,0,0,0|1,0,0]=4 2379 B13R1.24 O=CCNCC(=O)c1ccccc1 fa754d51a5e36ddb04aec3df836d50da [0,3,0,0,0,0|0,0,0]=3 2380 B13R1.24 O=CCOCC(=O)c1ccccc1 828fb72568b0adc065ddf828beaa5f21 [0,3,0,0,0,0|1,0,0]=4 2381 B13R1.24 O=S(CNCCO)c1ccccc1 21f18b039d87e4b92740168838eac34d [0,3,0,0,0,0|1,0,0]=4 2382 B13R1.45 C=C(Br)CNC(=O)c1ccccc1 d370c2503a6409af60fdc12a49c08977 [0,3,0,0,0,0|0,0,0]=3 2383 B13R1.45 C=C(Br)CNC(=O)c1ccccn1 51b7d8a04a8909f98da1a760f46fa3db [0,3,0,0,0,0|1,0,0]=4 2384 B13R1.45 C=C(Br)CNC(=O)c1cccnc1 f9b4a9cb0068ea1c3118dfbad3e1c611 [0,3,0,0,0,0|1,0,0]=4 2385 B13R1.45 C=C(Br)CNC(=O)c1ccncc1 dcc87e987b4fb6ea57655dca0c9d5451 [0,3,0,0,0,0|1,0,0]=4 2386 B13R1.45 C=C(C)CNC(=O)c1ccccc1 501e2a05800d61f4ca0cc324b49cc7ed [0,3,0,0,0,0|0,0,0]=3 2387 B13R1.45 C=C(C)CNC(=O)c1ccccn1 1d9586380f5275556142e71c5dec346c [0,3,0,0,0,0|1,0,0]=4 2388 B13R1.45 C=C(C)CNC(=O)c1cccnc1 8736572b24b95772b0d74261fd99973d [0,3,0,0,0,0|1,0,0]=4 2389 B13R1.45 C=C(C)CNC(=O)c1ccncc1 320a3eff1633e31dea83548746a7c3c9 [0,3,0,0,0,0|1,0,0]=4 2390 B13R1.45 CC(=O)CNC(=O)c1ccccc1 32292083cf460878a8f6c885af5be522 [0,3,0,0,0,0|0,0,0]=3 2391 B13R1.45 CC(=O)CNC(=O)c1ccccn1 867ca014f5e4ac0da56044dcb6058df0 [0,3,0,0,0,0|1,0,0]=4 2392 B13R1.45 CC(=O)CNC(=O)c1cccnc1 028b74f30e6c4a1ccb190160c019d520 [0,3,0,0,0,0|1,0,0]=4 2393 B13R1.45 CC(=O)CNC(=O)c1ccncc1 99f1b774507c828ff1f2a1a9af49ff78 [0,3,0,0,0,0|1,0,0]=4 2394 B13R1.45 CC(=O)NCC(=O)c1ccccc1 5463d46259baec402dcd87c9456616e9 [0,3,0,0,0,0|0,0,0]=3 2395 B13R1.45 CC(C)CNC(=O)c1ccccc1 e24d07508e1f4c32ab6066e627a71e08 [0,3,0,0,0,0|0,0,0]=3 2396 B13R1.45 CC(C)CNC(=O)c1ccccn1 627ac570d4ba0e558d4fdfedf4d085a5 [0,3,0,0,0,0|1,0,0]=4 2397 B13R1.45 CC(C)CNC(=O)c1cccnc1 312208435fd80eb75f2328e803c7bd07 [0,3,0,0,0,0|1,0,0]=4 2398 B13R1.45 CC(C)CNC(=O)c1ccncc1 9e7ab58f6e8866279e951fcacce6e05c [0,3,0,0,0,0|1,0,0]=4 2399 B13R1.45 CC(C)NCC(=O)c1ccccc1 e4ded4d81dacb28522b7b23f367a5817 [0,3,0,0,0,0|0,0,0]=3 2400 B13R1.45 CC(C)OCC(=O)c1ccccc1 1a2559ca9ca27a395e5d70680cd4fdb5 [0,3,0,0,0,0|1,0,0]=4 2401 B13R1.45 CC(O)CNC(=O)c1ccccc1 59dfb517b08db2cf84f86f45a76faf2d [0,3,0,0,0,0|0,0,0]=3 2402 B13R1.45 CC(O)CNC(=O)c1ccccn1 f8123eccef02603d277cf8a0b8b2f312 [0,3,0,0,0,0|1,0,0]=4 2403 B13R1.45 CC(O)CNC(=O)c1cccnc1 9438b88e1e84f80390cf5f817c5bc03f [0,3,0,0,0,0|1,0,0]=4 2404 B13R1.45 CC(O)CNC(=O)c1ccncc1 3ecb6a22d2c17269ff3eb94e73a100fe [0,3,0,0,0,0|1,0,0]=4 2405 B13R1.45 C[C@@H](O)CNC(=O)c1ccccc1 58658cc6384a558b469db82070a6d0b9 [0,3,0,0,0,0|0,0,0]=3 2406 B13R1.45 C[C@@H](O)CNC(=O)c1ccccn1 680b684ff3760aefb6e8965f481f2328 [0,3,0,0,0,0|1,0,0]=4 2407 B13R1.45 C[C@@H](O)CNC(=O)c1cccnc1 99e7c20d59b7374dc290dea06fdfe6b6 [0,3,0,0,0,0|1,0,0]=4 2408 B13R1.45 C[C@@H](O)CNC(=O)c1ccncc1 f7a888c6424189852c55ae9ef85c3960 [0,3,0,0,0,0|1,0,0]=4 2409 B13R1.45 C[C@H](O)CNC(=O)c1ccccc1 df4e2d9b61843b0cec186f242ac9a4b7 [0,3,0,0,0,0|0,0,0]=3 2410 B13R1.45 C[C@H](O)CNC(=O)c1ccccn1 307f363213be1a66d9dcc7c1afe64983 [0,3,0,0,0,0|1,0,0]=4 2411 B13R1.45 C[C@H](O)CNC(=O)c1cccnc1 e8b982e52d18f073856d9321fe1bab81 [0,3,0,0,0,0|1,0,0]=4 2412 B13R1.45 C[C@H](O)CNC(=O)c1ccncc1 db246af33f86f60c7e6a0d0cb86ecf99 [0,3,0,0,0,0|1,0,0]=4 2413 B13R1.45 NC(=O)CNC(=O)c1ccccc1 c1428cd43e0bed919c9014ecc82cce44 [0,3,0,0,0,0|0,0,0]=3 2414 B13R1.45 NC(=O)CNC(=O)c1ccccn1 b98190268456512e36a54dafc42d8d29 [0,3,0,0,0,0|1,0,0]=4 2415 B13R1.45 NC(=O)CNC(=O)c1cccnc1 8c119e081d264e798f143e77ecd6d2bc [0,3,0,0,0,0|1,0,0]=4 2416 B13R1.45 NC(=O)CNC(=O)c1ccncc1 edf117140f91b0b2264525ad5d04f159 [0,3,0,0,0,0|1,0,0]=4 2417 B13R1.45 O=C(NCC(F)F)c1ccccc1 878374f7907d70a12d1253bba2ec44b7 [0,3,0,0,0,0|0,0,0]=3 2418 B13R1.45 O=C(NCC(F)F)c1ccccn1 e512ea671d0dde63181fdf06db246944 [0,3,0,0,0,0|1,0,0]=4 2419 B13R1.45 O=C(NCC(F)F)c1cccnc1 5c8f59f28d9689371476ac00c394f70a [0,3,0,0,0,0|1,0,0]=4 2420 B13R1.45 O=C(NCC(F)F)c1ccncc1 b3060492ce5854ed82a1d3a4e4e7f8e8 [0,3,0,0,0,0|1,0,0]=4 2421 B13R1.674 C#CCNC(=O)c1cccc[n+]1[O-] 99287fb153808a2d42b8f7e279454e8b [0,3,0,0,0,0|1,0,0]=4 2422 B13R1.674 C#CCNC(=O)c1ccccc1Br 425ed5300b85f88e99ad2e0c36f99ce4 [0,3,0,0,0,0|0,0,0]=3 2423 B13R1.674 C#CCNC(=O)c1ccccc1C 2cba2b3b9811dcc20dc6fa427421c8cd [0,3,0,0,0,0|0,0,0]=3 2424 B13R1.674 C#CCNC(=O)c1ccccc1Cl 39be9465894fd47ea2c2406208002df0 [0,3,0,0,0,0|0,0,0]=3 2425 B13R1.674 C#CCNC(=O)c1ccccc1F 2be23d22113d8ab9bd2972603c9bb002 [0,3,0,0,0,0|0,0,0]=3 2426 B13R1.674 C#CCNC(=O)c1ccccc1I 9ad749d303e040aa457a2579b48c0317 [0,3,0,0,0,0|0,0,0]=3 2427 B13R1.674 C#CCNC(=O)c1ccccc1O f5d89a5fd1a45cdecf259fe70ab9b06e [0,3,0,0,0,0|0,0,0]=3 2428 B13R1.674 C#CCNC(=O)c1ccccc1S 8950d7b2d758eda1c2c3ca97e8a462b0 [0,3,0,0,0,0|0,0,0]=3 2429 B13R1.674 C#CCNC(=O)c1cccnc1Br c33470943d0a80221589e564a7092c1d [0,3,0,0,0,0|1,0,0]=4 2430 B13R1.674 C#CCNC(=O)c1cccnc1C d0f1657b3d5438d3f724814c5cde4c1a [0,3,0,0,0,0|1,0,0]=4 2431 B13R1.674 C#CCNC(=O)c1cccnc1Cl 6683fe39377bd50b09dee2721e64f469 [0,3,0,0,0,0|1,0,0]=4 2432 B13R1.674 C#CCNC(=O)c1cccnc1F d9301c0271f0bd95a9ad2b08cb2ffac1 [0,3,0,0,0,0|1,0,0]=4 2433 B13R1.674 C#CCNC(=O)c1cccnc1I 2238499f8c5b6248a717d101127e3b9a [0,3,0,0,0,0|1,0,0]=4 2434 B13R1.674 C#CCNC(=O)c1cccnc1O 76fc153e8a2dc81c9f8a7464ad7286c5 [0,3,0,0,0,0|1,0,0]=4 2435 B13R1.674 C#CCNC(=O)c1cccnc1S a928e37a319bde911e56d74f1cd0dccf [0,3,0,0,0,0|1,0,0]=4 2436 B13R1.674 C#CCNC(=O)c1ccncc1Br 38c6d877131918447cd1cee6fd2cd2ce [0,3,0,0,0,0|1,0,0]=4 2437 B13R1.674 C#CCNC(=O)c1ccncc1C 317178eb150dc93832900cd81e8a0c78 [0,3,0,0,0,0|1,0,0]=4 2438 B13R1.674 C#CCNC(=O)c1ccncc1Cl 0867f5225f3b601695e3fdce93758627 [0,3,0,0,0,0|1,0,0]=4 2439 B13R1.674 C#CCNC(=O)c1ccncc1F 431ecb4852171671d7dbd3d5503d61bb [0,3,0,0,0,0|1,0,0]=4 2440 B13R1.674 C#CCNC(=O)c1ccncc1I dbcbd9fe61cde6a023978ac955d2e5d6 [0,3,0,0,0,0|1,0,0]=4 2441 B13R1.674 C#CCNC(=O)c1ccncc1O a32e434b28997802fd549c3d618b91ab [0,3,0,0,0,0|1,0,0]=4 2442 B13R1.674 C#CCNC(=O)c1cnccc1Br 8431ab6326c07546c342d665e9546591 [0,3,0,0,0,0|1,0,0]=4 2443 B13R1.674 C#CCNC(=O)c1cnccc1C 3f50783c9412c2ce5d485361e37fee66 [0,3,0,0,0,0|1,0,0]=4 2444 B13R1.674 C#CCNC(=O)c1cnccc1Cl a63258406cc933231eb66a41a303835d [0,3,0,0,0,0|1,0,0]=4 2445 B13R1.674 C#CCNC(=O)c1cnccc1F a9de2b7ec1e4c23c3b15a7b76defa3cb [0,3,0,0,0,0|1,0,0]=4 2446 B13R1.674 C#CCNC(=O)c1cnccc1O 959d100f9b4263a4d186098936ad4c73 [0,3,0,0,0,0|1,0,0]=4 2447 B13R1.674 C#CCNC(=O)c1ncccc1Br d9164d8d5bf3006287e7b64244bcc85b [0,3,0,0,0,0|1,0,0]=4 2448 B13R1.674 C#CCNC(=O)c1ncccc1C 13a41bc5e175234cb8751883ff00cd58 [0,3,0,0,0,0|1,0,0]=4 2449 B13R1.674 C#CCNC(=O)c1ncccc1Cl bb205614c991f3d92d18ed4eefe05725 [0,3,0,0,0,0|1,0,0]=4 2450 B13R1.674 C#CCNC(=O)c1ncccc1F bf294de6e7958ca49ffdb2da9429847d [0,3,0,0,0,0|1,0,0]=4 2451 B13R1.674 C#CCNC(=O)c1ncccc1I fe96f18541af4b79edef265aa0164253 [0,3,0,0,0,0|1,0,0]=4 2452 B13R1.674 C#CCNC(=O)c1ncccc1O 791cff6c24d83e39dfee7b3fa88cbaab [0,3,0,0,0,0|1,0,0]=4 2453 B13R1.674 CCCNC(=O)c1cccc[n+]1[O-] 28b382119e27187795efe60d7f130c1e [0,3,0,0,0,0|1,0,0]=4 2454 B13R1.674 CCCNC(=O)c1ccccc1Br 722cf16c49797fba8a5ebe3bff34b2f2 [0,3,0,0,0,0|0,0,0]=3 2455 B13R1.674 CCCNC(=O)c1ccccc1C 911ba89530acccf307e26f44fccb3b6b [0,3,0,0,0,0|0,0,0]=3 2456 B13R1.674 CCCNC(=O)c1ccccc1Cl 66d6820f4ae66ec3373e4cbe19777568 [0,3,0,0,0,0|0,0,0]=3 2457 B13R1.674 CCCNC(=O)c1ccccc1F d37ac899bbc342532d59183c70f3e3c6 [0,3,0,0,0,0|0,0,0]=3 2458 B13R1.674 CCCNC(=O)c1ccccc1I 3e53e44cae2579752a42acd7d0d07f0a [0,3,0,0,0,0|0,0,0]=3 2459 B13R1.674 CCCNC(=O)c1ccccc1O 1e2065c39ead10fec2e9ebb7da9f2807 [0,3,0,0,0,0|0,0,0]=3 2460 B13R1.674 CCCNC(=O)c1ccccc1S f17993066a96fbdb40dc604a72d25481 [0,3,0,0,0,0|0,0,0]=3 2461 B13R1.674 CCCNC(=O)c1cccnc1Br 48c6635ab65cdf6c41b3b8dc5fc06ff9 [0,3,0,0,0,0|1,0,0]=4 2462 B13R1.674 CCCNC(=O)c1cccnc1C 9ff39314a14d1fdb59ffc045d64756c0 [0,3,0,0,0,0|1,0,0]=4 2463 B13R1.674 CCCNC(=O)c1cccnc1Cl cb1907e8b6712bd4971f94cc97039475 [0,3,0,0,0,0|1,0,0]=4 2464 B13R1.674 CCCNC(=O)c1cccnc1F 79b89f344492a67ba250c3954834f090 [0,3,0,0,0,0|1,0,0]=4 2465 B13R1.674 CCCNC(=O)c1cccnc1I 1148fcf80e58f1174525a899c53ed2d6 [0,3,0,0,0,0|1,0,0]=4 2466 B13R1.674 CCCNC(=O)c1cccnc1O 1d4ba8a1782e4d2a54f6ced16c21a4db [0,3,0,0,0,0|1,0,0]=4 2467 B13R1.674 CCCNC(=O)c1cccnc1S 0d96ca534f36cb91bfdb191ced9ea4ea [0,3,0,0,0,0|1,0,0]=4 2468 B13R1.674 CCCNC(=O)c1ccncc1Br 39b7b80afac436177bd33c57e0f52691 [0,3,0,0,0,0|1,0,0]=4 2469 B13R1.674 CCCNC(=O)c1ccncc1C 9e6e10402990c5b0ac008a6be6714def [0,3,0,0,0,0|1,0,0]=4 2470 B13R1.674 CCCNC(=O)c1ccncc1Cl 9fb65ef4283fae178462a088338d6acf [0,3,0,0,0,0|1,0,0]=4 2471 B13R1.674 CCCNC(=O)c1ccncc1F 6438c021ba6748c0c905257645847eef [0,3,0,0,0,0|1,0,0]=4 2472 B13R1.674 CCCNC(=O)c1ccncc1I 07e274acc3663de468fe852b202176e1 [0,3,0,0,0,0|1,0,0]=4 2473 B13R1.674 CCCNC(=O)c1ccncc1O 566f9cd51432bb7d7d8c3a50566bd23a [0,3,0,0,0,0|1,0,0]=4 2474 B13R1.674 CCCNC(=O)c1cnccc1Br 0cb6203f9d32c398eb9004f5bdac4cea [0,3,0,0,0,0|1,0,0]=4 2475 B13R1.674 CCCNC(=O)c1cnccc1C ba9a0f228d96bbf24f363758690628a6 [0,3,0,0,0,0|1,0,0]=4 2476 B13R1.674 CCCNC(=O)c1cnccc1Cl f19bc3b41f240195be85b7277a2794c2 [0,3,0,0,0,0|1,0,0]=4 2477 B13R1.674 CCCNC(=O)c1cnccc1F 4fedf3c3cc84ade3473e2a37c901f271 [0,3,0,0,0,0|1,0,0]=4 2478 B13R1.674 CCCNC(=O)c1cnccc1O c878ed4414ce3c34909ccd13e29f9765 [0,3,0,0,0,0|1,0,0]=4 2479 B13R1.674 CCCNC(=O)c1ncccc1Br e8d4c63769fc07fceacd43071ca8f8a8 [0,3,0,0,0,0|1,0,0]=4 2480 B13R1.674 CCCNC(=O)c1ncccc1C bacc0f64f25f3d36482cf9d3b3885d96 [0,3,0,0,0,0|1,0,0]=4 2481 B13R1.674 CCCNC(=O)c1ncccc1Cl dc3688ee8e0f46748f3cd7c51ab21088 [0,3,0,0,0,0|1,0,0]=4 2482 B13R1.674 CCCNC(=O)c1ncccc1F b3df00c386674725ec088295e2c6b2bc [0,3,0,0,0,0|1,0,0]=4 2483 B13R1.674 CCCNC(=O)c1ncccc1I 17f4509918bbeed225c19550fad18958 [0,3,0,0,0,0|1,0,0]=4 2484 B13R1.674 CCCNC(=O)c1ncccc1O f9a00bd1d7e44eb90343ead7e8586729 [0,3,0,0,0,0|1,0,0]=4 2485 B13R1.674 CCOCC(=O)c1ccccc1Cl e06a4c6336c573c4a6832b05d36d3a2c [0,3,0,0,0,0|1,0,0]=4 2486 B13R1.674 CCOCC(=O)c1ccccc1F 89c8a32ac88efac7c0bb910bc46a162a [0,3,0,0,0,0|1,0,0]=4 2487 B13R1.674 Cc1ccccc1C(=O)CNC#N d40274bada892d015d05bf25fe7544bf [0,3,0,0,0,0|0,0,1]=4 2488 B13R1.674 Cc1ccccc1C(=O)NCC#N bdb99f637043d851edcef44c1fa984e5 [0,3,0,0,0,0|0,0,0]=3 2489 B13R1.674 Cc1ccccc1C(=O)NCCF fcb65d948a50191541227309a8d70301 [0,3,0,0,0,0|0,0,0]=3 2490 B13R1.674 Cc1ccccc1C(=O)NCCI 0bcb13588bb3284ac330e70b8f5e02ce [0,3,0,0,0,0|0,0,0]=3 2491 B13R1.674 Cc1ccccc1C(=O)NCCO 19468e5b7442e64cd5b9bbce0e940d5d [0,3,0,0,0,0|0,0,0]=3 2492 B13R1.674 Cc1ccccc1C(=O)NCCS ae72cd9987d76b89f5cefcf1a5d3484d [0,3,0,0,0,0|0,0,0]=3 2493 B13R1.674 Cc1cccnc1C(=O)NCC#N c841754a0aca697475714db2e61ca7f5 [0,3,0,0,0,0|1,0,0]=4 2494 B13R1.674 Cc1cccnc1C(=O)NCCF 38d6b27f41134b592480888e966549ea [0,3,0,0,0,0|1,0,0]=4 2495 B13R1.674 Cc1cccnc1C(=O)NCCI 0d50a8cac8523bbb21e14e072a22f3b3 [0,3,0,0,0,0|1,0,0]=4 2496 B13R1.674 Cc1cccnc1C(=O)NCCO 57b355d5e09e6e1918315b665a015e51 [0,3,0,0,0,0|1,0,0]=4 2497 B13R1.674 Cc1cccnc1C(=O)NCCS 87ec1e7c18aa00fda872422f44b4b396 [0,3,0,0,0,0|1,0,0]=4 2498 B13R1.674 Cc1ccncc1C(=O)NCC#N 87a396e6a02ade41b0a664f02bf0d840 [0,3,0,0,0,0|1,0,0]=4 2499 B13R1.674 Cc1ccncc1C(=O)NCCBr 1552fdcf2471b4141b7fa8200afc7db8 [0,3,0,0,0,0|1,0,0]=4 2500 B13R1.674 Cc1ccncc1C(=O)NCCF 6f9dae3bfe489b6ac3963d85196c2608 [0,3,0,0,0,0|1,0,0]=4 2501 B13R1.674 Cc1ccncc1C(=O)NCCI 037724f07613563b49442b59cd635b75 [0,3,0,0,0,0|1,0,0]=4 2502 B13R1.674 Cc1ccncc1C(=O)NCCO 6b449d32941b412a348af1dc909dbfe5 [0,3,0,0,0,0|1,0,0]=4 2503 B13R1.674 Cc1ccncc1C(=O)NCCS 09617c49711372ecb013cc593ccf1feb [0,3,0,0,0,0|1,0,0]=4 2504 B13R1.674 Cc1cnccc1C(=O)NCC#N d8230b6303be117c091525629111e7a8 [0,3,0,0,0,0|1,0,0]=4 2505 B13R1.674 Cc1cnccc1C(=O)NCCBr e2c7d767970d0f596185e0f1583f85a2 [0,3,0,0,0,0|1,0,0]=4 2506 B13R1.674 Cc1cnccc1C(=O)NCCF fc7197c4d7e12bb401c386cd04d9f2b4 [0,3,0,0,0,0|1,0,0]=4 2507 B13R1.674 Cc1cnccc1C(=O)NCCI 67f8fd0dded266092e1cf15025e6c0c1 [0,3,0,0,0,0|1,0,0]=4 2508 B13R1.674 Cc1cnccc1C(=O)NCCO 643b53793e4d5a3d15472381b1175864 [0,3,0,0,0,0|1,0,0]=4 2509 B13R1.674 Cc1cnccc1C(=O)NCCS d057b0b032a426d04ae6a07c84a3a187 [0,3,0,0,0,0|1,0,0]=4 2510 B13R1.674 Cc1ncccc1C(=O)NCC#N f7668f069c056a697eac0ae9fcbe4bc8 [0,3,0,0,0,0|1,0,0]=4 2511 B13R1.674 Cc1ncccc1C(=O)NCCF e9ea27613723f65cc6e73a5e80061648 [0,3,0,0,0,0|1,0,0]=4 2512 B13R1.674 Cc1ncccc1C(=O)NCCI 8f0ba0f8f73611f3c3e055a8728ebe59 [0,3,0,0,0,0|1,0,0]=4 2513 B13R1.674 Cc1ncccc1C(=O)NCCO d557295c5c73c1e381f834876f55bfe5 [0,3,0,0,0,0|1,0,0]=4 2514 B13R1.674 Cc1ncccc1C(=O)NCCS 0eb766441cf5fb5f94b51884b1a8cda2 [0,3,0,0,0,0|1,0,0]=4 2515 B13R1.674 N#CCNC(=O)c1cccc[n+]1[O-] 1c65103083d003d96badc9bf8f90ad3b [0,3,0,0,0,0|1,0,0]=4 2516 B13R1.674 N#CCNC(=O)c1ccccc1Br a01b4d98f2a7000aeb7dfb0736148f42 [0,3,0,0,0,0|0,0,0]=3 2517 B13R1.674 N#CCNC(=O)c1ccccc1Cl b5920c15e8fe3d508d0727bb5b82bbc8 [0,3,0,0,0,0|0,0,0]=3 2518 B13R1.674 N#CCNC(=O)c1ccccc1F 398b2eb7f2d872cb58f86b605469c96b [0,3,0,0,0,0|0,0,0]=3 2519 B13R1.674 N#CCNC(=O)c1ccccc1I 0b9c62592c9d21e0ec879782a6bbd36d [0,3,0,0,0,0|0,0,0]=3 2520 B13R1.674 N#CCNC(=O)c1ccccc1O 637b7e35ebe8279eceddb880e9748d96 [0,3,0,0,0,0|0,0,0]=3 2521 B13R1.674 N#CCNC(=O)c1ccccc1S 310f04deb259c9f893428b231a829cae [0,3,0,0,0,0|0,0,0]=3 2522 B13R1.674 N#CCNC(=O)c1cccnc1Br 31127d77bb52c054cf805a3bf5994de6 [0,3,0,0,0,0|1,0,0]=4 2523 B13R1.674 N#CCNC(=O)c1cccnc1Cl b02fc09d076de535cc7f04538271e760 [0,3,0,0,0,0|1,0,0]=4 2524 B13R1.674 N#CCNC(=O)c1cccnc1F f18ca2c616b6af70e06cc1e9824367fb [0,3,0,0,0,0|1,0,0]=4 2525 B13R1.674 N#CCNC(=O)c1cccnc1I d600caf56c00ffa2dfa0efe1ebc23039 [0,3,0,0,0,0|1,0,0]=4 2526 B13R1.674 N#CCNC(=O)c1cccnc1O cd1eb7bdcea6f2d5db34a6ef0b70f0a0 [0,3,0,0,0,0|1,0,0]=4 2527 B13R1.674 N#CCNC(=O)c1cccnc1S dc242e33c01db15bda3e1c56534cf640 [0,3,0,0,0,0|1,0,0]=4 2528 B13R1.674 N#CCNC(=O)c1ccncc1Br 2f8a153fa8c9ef038b11fb638dac1d6f [0,3,0,0,0,0|1,0,0]=4 2529 B13R1.674 N#CCNC(=O)c1ccncc1Cl a9ae66ea363f4e7c2085f8603e8fca0b [0,3,0,0,0,0|1,0,0]=4 2530 B13R1.674 N#CCNC(=O)c1ccncc1F 06738f3d6f4e5e3e5bd1991263e3e660 [0,3,0,0,0,0|1,0,0]=4 2531 B13R1.674 N#CCNC(=O)c1ccncc1I e993ddfad84dd2928b5a17c6b4ae0d1e [0,3,0,0,0,0|1,0,0]=4 2532 B13R1.674 N#CCNC(=O)c1ccncc1O 66577c7a5f01c89fd8002cbce81f5779 [0,3,0,0,0,0|1,0,0]=4 2533 B13R1.674 N#CCNC(=O)c1cnccc1Br 360669f472cd3b716d3a12060ec27bcd [0,3,0,0,0,0|1,0,0]=4 2534 B13R1.674 N#CCNC(=O)c1cnccc1Cl cf6f91d245a9e9767228935a76b2bcf7 [0,3,0,0,0,0|1,0,0]=4 2535 B13R1.674 N#CCNC(=O)c1cnccc1F 56e0d2148d53df3bb679c0bee83cc6f4 [0,3,0,0,0,0|1,0,0]=4 2536 B13R1.674 N#CCNC(=O)c1cnccc1O 68c30a3494a5e0a4ead89d84236dc0c6 [0,3,0,0,0,0|1,0,0]=4 2537 B13R1.674 N#CCNC(=O)c1ncccc1Br 0dd9c266344eabf1bbb15ac455faf249 [0,3,0,0,0,0|1,0,0]=4 2538 B13R1.674 N#CCNC(=O)c1ncccc1Cl 13f32227096c320c9b7535cbe2903bcd [0,3,0,0,0,0|1,0,0]=4 2539 B13R1.674 N#CCNC(=O)c1ncccc1F d1a67b96fa0aa5659ea67147c1b34de8 [0,3,0,0,0,0|1,0,0]=4 2540 B13R1.674 N#CCNC(=O)c1ncccc1I ccec26f53a710e6b10bc135a2bd0422c [0,3,0,0,0,0|1,0,0]=4 2541 B13R1.674 N#CCNC(=O)c1ncccc1O 061d96b434e4231d0d02680f8f1be9a8 [0,3,0,0,0,0|1,0,0]=4 2542 B13R1.674 N#CNCC(=O)c1ccccc1Cl c9050c36fbbbbae7e15771ce2a329484 [0,3,0,0,0,0|0,0,1]=4 2543 B13R1.674 N#CNCC(=O)c1ccccc1F 24aba7d985eb20568a3556b206ebe878 [0,3,0,0,0,0|0,0,1]=4 2544 B13R1.674 N#CNCC(=O)c1ccccc1I efe05fd51891f9e5e8f7b5af47d973de [0,3,0,0,0,0|0,0,1]=4 2545 B13R1.674 O=C(COCF)c1ccccc1Cl c53559bd06c6bf9262f09a93f571fb1e [0,3,0,0,0,0|1,0,0]=4 2546 B13R1.674 O=C(COCF)c1ccccc1F a93a82d52f6f4efba223a79ce4d43486 [0,3,0,0,0,0|1,0,0]=4 2547 B13R1.674 O=C(NCCBr)c1cccc[n+]1[O-] 3d5c52bd9d6e4369c47988cf80668f28 [0,3,0,0,0,0|1,0,0]=4 2548 B13R1.674 O=C(NCCBr)c1ccccc1Br 1914e56a1fb00c2247240b29aa3a8a30 [0,3,0,0,0,0|0,0,0]=3 2549 B13R1.674 O=C(NCCBr)c1ccccc1F d42a191940e75375f307e9f014fba577 [0,3,0,0,0,0|0,0,0]=3 2550 B13R1.674 O=C(NCCBr)c1ccccc1I d92a915c1296a9743ab7faab92dde9ee [0,3,0,0,0,0|0,0,0]=3 2551 B13R1.674 O=C(NCCBr)c1ccccc1S 25a5da7316c5ec946ac74f3846516135 [0,3,0,0,0,0|0,0,0]=3 2552 B13R1.674 O=C(NCCBr)c1cccnc1Br 710da82d8257e7774b7e1ac299e49806 [0,3,0,0,0,0|1,0,0]=4 2553 B13R1.674 O=C(NCCBr)c1cccnc1Cl 2b0f51ae0ed0c49555e1ad5d3fb2630b [0,3,0,0,0,0|1,0,0]=4 2554 B13R1.674 O=C(NCCBr)c1cccnc1F d3cc77496b355cd32fbe40f5cb22114b [0,3,0,0,0,0|1,0,0]=4 2555 B13R1.674 O=C(NCCBr)c1cccnc1I 085d94366e076fafa82aaea5343462df [0,3,0,0,0,0|1,0,0]=4 2556 B13R1.674 O=C(NCCBr)c1cccnc1O e947b478c01bc4382ee6483e2fb95a51 [0,3,0,0,0,0|1,0,0]=4 2557 B13R1.674 O=C(NCCBr)c1cccnc1S 159cabf90829f67d819f5ea9cc8dd3cb [0,3,0,0,0,0|1,0,0]=4 2558 B13R1.674 O=C(NCCBr)c1ccncc1Br 50e33525c1d5d8b151b13c08900524be [0,3,0,0,0,0|1,0,0]=4 2559 B13R1.674 O=C(NCCBr)c1ccncc1Cl 9d5414a71def01a68387bda121289c76 [0,3,0,0,0,0|1,0,0]=4 2560 B13R1.674 O=C(NCCBr)c1ccncc1F 53ce0471f03b16175b2cc27ed28c6e0c [0,3,0,0,0,0|1,0,0]=4 2561 B13R1.674 O=C(NCCBr)c1ccncc1I 14d9d52c23bd6460b8d9557e40b1eb0a [0,3,0,0,0,0|1,0,0]=4 2562 B13R1.674 O=C(NCCBr)c1ccncc1O bccfa24d388b9cac767b76bcafb0264a [0,3,0,0,0,0|1,0,0]=4 2563 B13R1.674 O=C(NCCBr)c1cnccc1Br 3c0e3f7eb8cd45cc1b55398122eda18e [0,3,0,0,0,0|1,0,0]=4 2564 B13R1.674 O=C(NCCBr)c1cnccc1Cl 060c8c9dc6de054a88dd0d85a6f86cbe [0,3,0,0,0,0|1,0,0]=4 2565 B13R1.674 O=C(NCCBr)c1cnccc1F 66642051904935ea1f9a2921c7d302f1 [0,3,0,0,0,0|1,0,0]=4 2566 B13R1.674 O=C(NCCBr)c1cnccc1O 55c04bf5a5a0197dc6f785215eb85b26 [0,3,0,0,0,0|1,0,0]=4 2567 B13R1.674 O=C(NCCBr)c1ncccc1Br 6dd62f89de0b1168f3d79f90a7888551 [0,3,0,0,0,0|1,0,0]=4 2568 B13R1.674 O=C(NCCBr)c1ncccc1Cl 294ccc8075d1a1e868de38545a7e7966 [0,3,0,0,0,0|1,0,0]=4 2569 B13R1.674 O=C(NCCBr)c1ncccc1F 15c449bcd9fbdacdeb47fad7c396fec6 [0,3,0,0,0,0|1,0,0]=4 2570 B13R1.674 O=C(NCCBr)c1ncccc1I 968cf877db913ffec371da484856d435 [0,3,0,0,0,0|1,0,0]=4 2571 B13R1.674 O=C(NCCBr)c1ncccc1O 5f61edeb767e3d39898e9bef41e92ae9 [0,3,0,0,0,0|1,0,0]=4 2572 B13R1.674 O=C(NCCF)c1cccc[n+]1[O-] 70878da6d26155244c74df6496060bcd [0,3,0,0,0,0|1,0,0]=4 2573 B13R1.674 O=C(NCCF)c1ccccc1Br a5f0a70d243a21f297427ebf5549e013 [0,3,0,0,0,0|0,0,0]=3 2574 B13R1.674 O=C(NCCF)c1ccccc1Cl ce1cdea1864c29e047734c2172aa7fd4 [0,3,0,0,0,0|0,0,0]=3 2575 B13R1.674 O=C(NCCF)c1ccccc1F fde80054da147ea42ab3ed58807e18d1 [0,3,0,0,0,0|0,0,0]=3 2576 B13R1.674 O=C(NCCF)c1ccccc1I 75948d0a626ed42f631ca6960384bfb3 [0,3,0,0,0,0|0,0,0]=3 2577 B13R1.674 O=C(NCCF)c1ccccc1O f9259ca016b43b51c57b1b656169c9d0 [0,3,0,0,0,0|0,0,0]=3 2578 B13R1.674 O=C(NCCF)c1ccccc1S 6ec76b9f8ac7f1200899dbacab388324 [0,3,0,0,0,0|0,0,0]=3 2579 B13R1.674 O=C(NCCF)c1cccnc1Br b13c09d19b9791713b3c790c9b654bb5 [0,3,0,0,0,0|1,0,0]=4 2580 B13R1.674 O=C(NCCF)c1cccnc1Cl c7cd54e6c0f1c37705e26b77929f9b40 [0,3,0,0,0,0|1,0,0]=4 2581 B13R1.674 O=C(NCCF)c1cccnc1F e76942092cc79b9b741e0b4585c2dfc3 [0,3,0,0,0,0|1,0,0]=4 2582 B13R1.674 O=C(NCCF)c1cccnc1I 073eb7430f95cf7aef9188c28395f5d8 [0,3,0,0,0,0|1,0,0]=4 2583 B13R1.674 O=C(NCCF)c1cccnc1O 9ba77f92eb3245fa1dc834afcd3bd0a3 [0,3,0,0,0,0|1,0,0]=4 2584 B13R1.674 O=C(NCCF)c1cccnc1S b5fd16b73274e6a0530ab685ba5a09ec [0,3,0,0,0,0|1,0,0]=4 2585 B13R1.674 O=C(NCCF)c1ccncc1Br aa21ecae04691fbe3cbf2f99ebf2296d [0,3,0,0,0,0|1,0,0]=4 2586 B13R1.674 O=C(NCCF)c1ccncc1Cl aad54d702b84da2d272f2e4efe71912b [0,3,0,0,0,0|1,0,0]=4 2587 B13R1.674 O=C(NCCF)c1ccncc1F a87810e27c9395516af85aaf18b941e9 [0,3,0,0,0,0|1,0,0]=4 2588 B13R1.674 O=C(NCCF)c1ccncc1I c304c828dd9e0074acbcd013310c4655 [0,3,0,0,0,0|1,0,0]=4 2589 B13R1.674 O=C(NCCF)c1ccncc1O dce7278831baa70243ae0ac2f9e5b85f [0,3,0,0,0,0|1,0,0]=4 2590 B13R1.674 O=C(NCCF)c1cnccc1Br 56302601d3b8b5d9f2a015bb7879394b [0,3,0,0,0,0|1,0,0]=4 2591 B13R1.674 O=C(NCCF)c1cnccc1Cl 538ce9d5416950e73353deeba4675a5c [0,3,0,0,0,0|1,0,0]=4 2592 B13R1.674 O=C(NCCF)c1cnccc1F 4d6af1824543baa4e6b2674c69e61ea9 [0,3,0,0,0,0|1,0,0]=4 2593 B13R1.674 O=C(NCCF)c1cnccc1O 9bab9bae714e1634daf00739fdcd9370 [0,3,0,0,0,0|1,0,0]=4 2594 B13R1.674 O=C(NCCF)c1ncccc1Br 787f688b9638494a922ef16c415aa437 [0,3,0,0,0,0|1,0,0]=4 2595 B13R1.674 O=C(NCCF)c1ncccc1Cl 47fd331634bd9e9f1536403b601b872a [0,3,0,0,0,0|1,0,0]=4 2596 B13R1.674 O=C(NCCF)c1ncccc1F 1f0f25d93956b627269e2b3193f5daa9 [0,3,0,0,0,0|1,0,0]=4 2597 B13R1.674 O=C(NCCF)c1ncccc1I 52cf912db074f14dcae29bc743f4ed0d [0,3,0,0,0,0|1,0,0]=4 2598 B13R1.674 O=C(NCCF)c1ncccc1O 1a60ff4f568b26c02c3da2998a0734bf [0,3,0,0,0,0|1,0,0]=4 2599 B13R1.674 O=C(NCCI)c1cccc[n+]1[O-] 4344949a3a5e7709220b6251e01d16ce [0,3,0,0,0,0|1,0,0]=4 2600 B13R1.674 O=C(NCCI)c1ccccc1Br a5cdb6a8172ecf43c1dd664b9a35490e [0,3,0,0,0,0|0,0,0]=3 2601 B13R1.674 O=C(NCCI)c1ccccc1Cl 8dfa788b98be343ecfbcc1ffb3399f87 [0,3,0,0,0,0|0,0,0]=3 2602 B13R1.674 O=C(NCCI)c1ccccc1F 4922c7e83c4ee7ab2cd217a7764d573b [0,3,0,0,0,0|0,0,0]=3 2603 B13R1.674 O=C(NCCI)c1ccccc1I 23ac41a5537e6d4f05aad5d73790c6c4 [0,3,0,0,0,0|0,0,0]=3 2604 B13R1.674 O=C(NCCI)c1ccccc1O d5b209736643bf21fa14652e60016a02 [0,3,0,0,0,0|0,0,0]=3 2605 B13R1.674 O=C(NCCI)c1ccccc1S 2f6832f0352a336c68a9e7cd4eaababb [0,3,0,0,0,0|0,0,0]=3 2606 B13R1.674 O=C(NCCI)c1cccnc1Br 9a95fa6c01e25672eb6045dd8d163649 [0,3,0,0,0,0|1,0,0]=4 2607 B13R1.674 O=C(NCCI)c1cccnc1Cl acd699374dc3bec113a608afe9d5d650 [0,3,0,0,0,0|1,0,0]=4 2608 B13R1.674 O=C(NCCI)c1cccnc1F 0daa82bf0b0cfb813a6a25e90090d8da [0,3,0,0,0,0|1,0,0]=4 2609 B13R1.674 O=C(NCCI)c1cccnc1I ef14019da1984b92f369faa7a329ee5a [0,3,0,0,0,0|1,0,0]=4 2610 B13R1.674 O=C(NCCI)c1cccnc1O 34f21dbe5fb75728896a2b65ee5f6735 [0,3,0,0,0,0|1,0,0]=4 2611 B13R1.674 O=C(NCCI)c1cccnc1S ec7a2d097ba462fea98fcc95aa95f507 [0,3,0,0,0,0|1,0,0]=4 2612 B13R1.674 O=C(NCCI)c1ccncc1Br 541a652f9a6d1cc071029c291575f439 [0,3,0,0,0,0|1,0,0]=4 2613 B13R1.674 O=C(NCCI)c1ccncc1Cl 0ff76116c25492f6351a0a22450246c0 [0,3,0,0,0,0|1,0,0]=4 2614 B13R1.674 O=C(NCCI)c1ccncc1F 6bb4b131975e0aceee59bb22975b00e7 [0,3,0,0,0,0|1,0,0]=4 2615 B13R1.674 O=C(NCCI)c1ccncc1I 1d2d0483f5a2da3d5530efdf147768f2 [0,3,0,0,0,0|1,0,0]=4 2616 B13R1.674 O=C(NCCI)c1ccncc1O 5bf50eb42e0623744d0c8ceb005629c8 [0,3,0,0,0,0|1,0,0]=4 2617 B13R1.674 O=C(NCCI)c1cnccc1Br 65be8f34da23c1db870b2b36aa5d7c1f [0,3,0,0,0,0|1,0,0]=4 2618 B13R1.674 O=C(NCCI)c1cnccc1Cl 96e85b9654643b7fc1b8b790c9171d79 [0,3,0,0,0,0|1,0,0]=4 2619 B13R1.674 O=C(NCCI)c1cnccc1F b405877e29fefcf939386517125f1497 [0,3,0,0,0,0|1,0,0]=4 2620 B13R1.674 O=C(NCCI)c1cnccc1O d23eea8ce83fdf0a6fa5942659eda8f7 [0,3,0,0,0,0|1,0,0]=4 2621 B13R1.674 O=C(NCCI)c1ncccc1Br 39d92f4e705ac0aa8939875c8713788c [0,3,0,0,0,0|1,0,0]=4 2622 B13R1.674 O=C(NCCI)c1ncccc1Cl b1382dbf14409729e2455529402cee7c [0,3,0,0,0,0|1,0,0]=4 2623 B13R1.674 O=C(NCCI)c1ncccc1F 2d88399bcd21238e0ee9549628e5478f [0,3,0,0,0,0|1,0,0]=4 2624 B13R1.674 O=C(NCCI)c1ncccc1I 805830d04ad27709518196110c7047c2 [0,3,0,0,0,0|1,0,0]=4 2625 B13R1.674 O=C(NCCI)c1ncccc1O f83645ff96ac7788312d8547f08c3f59 [0,3,0,0,0,0|1,0,0]=4 2626 B13R1.674 O=C(NCCO)c1cccc[n+]1[O-] 1f834aea5b56cd4086cca4d338829d97 [0,3,0,0,0,0|1,0,0]=4 2627 B13R1.674 O=C(NCCO)c1ccccc1Br 64e043e924d192860a5e803e7cc2b3c4 [0,3,0,0,0,0|0,0,0]=3 2628 B13R1.674 O=C(NCCO)c1ccccc1Cl d440343a5e82c7f5f208cbc09c7ad44b [0,3,0,0,0,0|0,0,0]=3 2629 B13R1.674 O=C(NCCO)c1ccccc1F 1dea52e17ba65df7fbe1d476a8255cc4 [0,3,0,0,0,0|0,0,0]=3 2630 B13R1.674 O=C(NCCO)c1ccccc1I b99e3a2382e7cf28d69e2dfbd1514d02 [0,3,0,0,0,0|0,0,0]=3 2631 B13R1.674 O=C(NCCO)c1ccccc1O d205d717ef7190b4e30530c4bf14cd51 [0,3,0,0,0,0|0,0,0]=3 2632 B13R1.674 O=C(NCCO)c1ccccc1S e661c8ff53b94c275d51d59aa7375af1 [0,3,0,0,0,0|0,0,0]=3 2633 B13R1.674 O=C(NCCO)c1cccnc1Br 33ed9f383f13718a21cbcf396fdaace5 [0,3,0,0,0,0|1,0,0]=4 2634 B13R1.674 O=C(NCCO)c1cccnc1Cl b86a7e55f1fdedc355c9e655d6486d23 [0,3,0,0,0,0|1,0,0]=4 2635 B13R1.674 O=C(NCCO)c1cccnc1F 148d8734d889589ffefbcafe1831a486 [0,3,0,0,0,0|1,0,0]=4 2636 B13R1.674 O=C(NCCO)c1cccnc1I 8f4c811797c2731f4fc7d7972499025e [0,3,0,0,0,0|1,0,0]=4 2637 B13R1.674 O=C(NCCO)c1cccnc1O bcd737fa4af1ebe3fd3e82d59868dca1 [0,3,0,0,0,0|1,0,0]=4 2638 B13R1.674 O=C(NCCO)c1cccnc1S 16c7c3cfec979d9db23fe0eb00e33ab0 [0,3,0,0,0,0|1,0,0]=4 2639 B13R1.674 O=C(NCCO)c1ccncc1Br ec2800fee364a11d7b05cbbc27b514bc [0,3,0,0,0,0|1,0,0]=4 2640 B13R1.674 O=C(NCCO)c1ccncc1Cl 9a629b3c0e98aada42c73f4b7ba1f5b0 [0,3,0,0,0,0|1,0,0]=4 2641 B13R1.674 O=C(NCCO)c1ccncc1F 435ef61ae550747d9a5b2baf61f07e97 [0,3,0,0,0,0|1,0,0]=4 2642 B13R1.674 O=C(NCCO)c1ccncc1I 95f4c25dc95dabe9c9f51948bc49bc0c [0,3,0,0,0,0|1,0,0]=4 2643 B13R1.674 O=C(NCCO)c1ccncc1O 931615315a060f8c28fe0cd953a3d1e8 [0,3,0,0,0,0|1,0,0]=4 2644 B13R1.674 O=C(NCCO)c1cnccc1Br 834ba302ce4212a8d91c1e5c28d27b8d [0,3,0,0,0,0|1,0,0]=4 2645 B13R1.674 O=C(NCCO)c1cnccc1Cl fc9ba3a4e44e110dfa3a27ba7ebd00d4 [0,3,0,0,0,0|1,0,0]=4 2646 B13R1.674 O=C(NCCO)c1cnccc1F b44ca0761146a007e7d3cd362ed5fc05 [0,3,0,0,0,0|1,0,0]=4 2647 B13R1.674 O=C(NCCO)c1cnccc1O aa648f57e1e42777825a9dcd582b4b21 [0,3,0,0,0,0|1,0,0]=4 2648 B13R1.674 O=C(NCCO)c1ncccc1Br 1501cd8918baee693e1c99e58270e92e [0,3,0,0,0,0|1,0,0]=4 2649 B13R1.674 O=C(NCCO)c1ncccc1Cl 408b79ad580e1a948936aba2c4d9e3ee [0,3,0,0,0,0|1,0,0]=4 2650 B13R1.674 O=C(NCCO)c1ncccc1F e7594447effe01f5434fa53457ae9523 [0,3,0,0,0,0|1,0,0]=4 2651 B13R1.674 O=C(NCCO)c1ncccc1I f8bc81881f15dcb106fd78a274ba76fc [0,3,0,0,0,0|1,0,0]=4 2652 B13R1.674 O=C(NCCO)c1ncccc1O 42ab263371c8e5ebbd0a5db1932a5ca8 [0,3,0,0,0,0|1,0,0]=4 2653 B13R1.674 O=C(NCCS)c1cccc[n+]1[O-] 5d20797a698cffac1eb2729be480569f [0,3,0,0,0,0|1,0,0]=4 2654 B13R1.674 O=C(NCCS)c1ccccc1Br 5d81fc0915daa76f13c40ce6385ea1f9 [0,3,0,0,0,0|0,0,0]=3 2655 B13R1.674 O=C(NCCS)c1ccccc1Cl 2204de27358aafd6c0a4f45dada4aea8 [0,3,0,0,0,0|0,0,0]=3 2656 B13R1.674 O=C(NCCS)c1ccccc1F 8fe24d9048d3c232956ddef78421e251 [0,3,0,0,0,0|0,0,0]=3 2657 B13R1.674 O=C(NCCS)c1ccccc1I 52b7a8bafa5cf96ed04c5bcac7a3da13 [0,3,0,0,0,0|0,0,0]=3 2658 B13R1.674 O=C(NCCS)c1ccccc1O 85226c142a26d307d7f615c27efe5ced [0,3,0,0,0,0|0,0,0]=3 2659 B13R1.674 O=C(NCCS)c1ccccc1S 35d62477a0912f93f01548fc8869b6de [0,3,0,0,0,0|0,0,0]=3 2660 B13R1.674 O=C(NCCS)c1cccnc1Br e217365a2c641e5e8696a739eb737472 [0,3,0,0,0,0|1,0,0]=4 2661 B13R1.674 O=C(NCCS)c1cccnc1Cl 8b5c9032de09e5deaa080644532e737a [0,3,0,0,0,0|1,0,0]=4 2662 B13R1.674 O=C(NCCS)c1cccnc1F 133dd3b6bd2a20debd206ba34933bfc0 [0,3,0,0,0,0|1,0,0]=4 2663 B13R1.674 O=C(NCCS)c1cccnc1I bb049f1e083b24976f225d0c2d455bdb [0,3,0,0,0,0|1,0,0]=4 2664 B13R1.674 O=C(NCCS)c1cccnc1O ac93d170e4778ed241fa0b2ba30ee360 [0,3,0,0,0,0|1,0,0]=4 2665 B13R1.674 O=C(NCCS)c1cccnc1S fc6b7f0d996654f05acf9838204b9b6b [0,3,0,0,0,0|1,0,0]=4 2666 B13R1.674 O=C(NCCS)c1ccncc1Br 3f6bb85b67e7452895589629db01e872 [0,3,0,0,0,0|1,0,0]=4 2667 B13R1.674 O=C(NCCS)c1ccncc1Cl 8967591877876adb810bdb2ada647525 [0,3,0,0,0,0|1,0,0]=4 2668 B13R1.674 O=C(NCCS)c1ccncc1F 33d7461589347cc5df3f999c851726fa [0,3,0,0,0,0|1,0,0]=4 2669 B13R1.674 O=C(NCCS)c1ccncc1I 57aea2c0180e30baa744620ea43cbdb2 [0,3,0,0,0,0|1,0,0]=4 2670 B13R1.674 O=C(NCCS)c1ccncc1O e8189af76f5f7c6783564df32309b7d5 [0,3,0,0,0,0|1,0,0]=4 2671 B13R1.674 O=C(NCCS)c1cnccc1Br c9b111af99479ce23853e1d79392e594 [0,3,0,0,0,0|1,0,0]=4 2672 B13R1.674 O=C(NCCS)c1cnccc1Cl b8a3200d9d96141b68ccb8c7799acc37 [0,3,0,0,0,0|1,0,0]=4 2673 B13R1.674 O=C(NCCS)c1cnccc1F 42828610933f0594e19bbe41a1f2f2ee [0,3,0,0,0,0|1,0,0]=4 2674 B13R1.674 O=C(NCCS)c1cnccc1O 61d6a39e3513e9b8e9238c5b7508e981 [0,3,0,0,0,0|1,0,0]=4 2675 B13R1.674 O=C(NCCS)c1ncccc1Br e01de028f79ff177fc2367e270b3c799 [0,3,0,0,0,0|1,0,0]=4 2676 B13R1.674 O=C(NCCS)c1ncccc1Cl 78585c387519186afd65d61bb5c6f247 [0,3,0,0,0,0|1,0,0]=4 2677 B13R1.674 O=C(NCCS)c1ncccc1F 58e6c4dc7e5bd6b50f094e842a9741cb [0,3,0,0,0,0|1,0,0]=4 2678 B13R1.674 O=C(NCCS)c1ncccc1I a9cbf870465c29ae428ee249302e34f9 [0,3,0,0,0,0|1,0,0]=4 2679 B13R1.674 O=C(NCCS)c1ncccc1O 5f56ed60880b06c2f2ed9da56e0cd0a0 [0,3,0,0,0,0|1,0,0]=4 2680 B13R1.352 CC(C)(C)NC(=O)c1ccccc1 a82ffd04679db65bd6b4bd44bbaf44e9 [0,3,0,0,0,0|0,0,0]=3 2681 B13R1.352 CC(C)(C)NC(=O)c1ccccn1 5c7fc1324eb32e44ce60bef10d8e0095 [0,3,0,0,0,0|1,0,0]=4 2682 B13R1.352 CC(C)(C)NC(=O)c1cccnc1 226979dc05f231de934fbac78f08e5c8 [0,3,0,0,0,0|1,0,0]=4 2683 B13R1.352 CC(C)(C)NC(=O)c1ccncc1 20a85624040e11d3991db025e8260743 [0,3,0,0,0,0|1,0,0]=4 2684 B13R1.464 C#Cc1ccccc1C(=O)NC#N 3f1a9b8017df03fc7506a1aa5a8c7931 [0,3,0,0,0,0|0,0,1]=4 2685 B13R1.464 C=Cc1ccccc1C(=O)NC#N 1cfb9b5fdec495cd7751fac562497e8e [0,3,0,0,0,0|0,0,1]=4 2686 B13R1.464 CCc1ccccc1C(=O)NC#N 8efe684a6b76179a37c5be04332bf2b7 [0,3,0,0,0,0|0,0,1]=4 2687 B13R1.464 COc1ccccc1C(=O)NC#N 0087cf698d274f7b8af5a54988bab1be [0,3,0,0,0,0|0,0,1]=4 2688 B13R1.464 CSc1ccccc1C(=O)NC#N a86bb3f08d79296d36a4ff93a2ca1c1a [0,3,0,0,0,0|0,0,1]=4 2689 B13R1.464 N#CNC(=O)c1ccccc1C=O a2d8b1404ecbcacc389c8dc8f026ac08 [0,3,0,0,0,0|0,0,1]=4 2690 B13R1.464 N#CNC(=O)c1ccccc1CO 25318b09e203c83e0b83e7b8de06a9b1 [0,3,0,0,0,0|0,0,1]=4 2691 B13R1.4453 Cc1cccc(c1C(=O)NC#N)C f944b3713ff762dec32704805a790147 [0,3,0,0,0,0|0,0,1]=4 2692 B13R1.4453 Cc1cccc(c1C(=O)NC#N)Cl f62f8af993114e6487b754029351f3de [0,3,0,0,0,0|0,0,1]=4 2693 B13R1.4453 Cc1cccc(c1C(=O)NC#N)F dc5f4753edfc20dcaaa2239f92cd0088 [0,3,0,0,0,0|0,0,1]=4 2694 B13R1.4453 Cc1cccc(c1C(=O)NC#N)I 3be0b214fdb7d10afd69ef1e5675ec33 [0,3,0,0,0,0|0,0,1]=4 2695 B13R1.4453 N#CNC(=O)c1c(cccc1Cl)Cl 587e5b88af52d93f9b56b4ad399cb809 [0,3,0,0,0,0|0,0,1]=4 2696 B13R1.4453 N#CNC(=O)c1c(cccc1F)F 71c1b70df2ca201ed9fcffdc3a529908 [0,3,0,0,0,0|0,0,1]=4 2697 B13R1.4453 N#CNC(=O)c1c(cccc1I)Br 802879c0254f155c9459abf850fec76f [0,3,0,0,0,0|0,0,1]=4 2698 B13R1.4453 N#CNC(=O)c1c(cccc1I)Cl 614ab178c237595858d6883096093f59 [0,3,0,0,0,0|0,0,1]=4 2699 B13R1.4453 N#CNC(=O)c1c(cccc1I)F 25dd86b001c1e0578525b6a2607b1136 [0,3,0,0,0,0|0,0,1]=4 2700 B13R1.4453 N#CNC(=O)c1c(cccc1I)I 255175dbda0efe5ff8ac779a675f3549 [0,3,0,0,0,0|0,0,1]=4 2701 B13R1.4453 N#CNC(=O)c1c(cccc1I)O 950e76ec7ee43f50997ed4d72404baa3 [0,3,0,0,0,0|0,0,1]=4 2702 B13R1.139 CCC(=O)c1ccc(cc1)NC#N 113fffbe557b750def52f367b108c5ca [0,3,0,0,0,0|1,0,0]=4 2703 B13R1.139 CCC(=O)c1ccc(cc1)NC=O 17c7e1a4143492ea808f09b2097119a0 [0,3,0,0,0,0|1,0,0]=4 2704 B13R1.139 CCC(=O)c1ccc(cc1)NCF 10c4ad392622cfb0bbbe40aa4cf73106 [0,3,0,0,0,0|1,0,0]=4 2705 B13R1.139 CCC(=O)c1ccc(cc1)NCO 60ac01c879360b096e535e18dbf45c70 [0,3,0,0,0,0|1,0,0]=4 2706 B13R1.139 CCC(=O)c1ccc(cc1)OCF 90c6abc59b2cdb6e05c7332d51c11653 [0,3,0,0,0,0|1,0,0]=4 2707 B13R1.139 CCNc1ccc(cc1)C(=O)CC fb0d18d6708af4bdae4dcbc0fb414e98 [0,3,0,0,0,0|1,0,0]=4 2708 B13R1.139 CCNc1ccc(cc1)C(=O)NC a474f315e31d85e56071342a48676a90 [0,3,0,0,0,0|0,0,0]=3 2709 B13R1.139 CCNc1ccc(cc1)C(=O)NO a885b514333705c0e496e30339a53a0c [0,3,0,0,0,0|1,0,0]=4 2710 B13R1.139 CCNc1ccc(cc1)C(=O)OC dd765f1276ed909864650b10aee486d3 [0,3,0,0,0,0|1,0,0]=4 2711 B13R1.139 CCNc1ccc(cn1)C(=O)NC ec4054f245f092fe331a850ce3d4166a [0,3,0,0,0,0|1,0,0]=4 2712 B13R1.139 CCNc1ccc(nc1)C(=O)NC 690e98f553f296e1b181df54c5d22a89 [0,3,0,0,0,0|1,0,0]=4 2713 B13R1.139 CCOc1ccc(cc1)C(=O)CC c9a13db665da42a8ebb2ea15795d22cc [0,3,0,0,0,0|1,0,0]=4 2714 B13R1.139 CCOc1ccc(cc1)C(=O)NC 5853460c3dd0b1088b7fd97b1c7c358b [0,3,0,0,0,0|0,0,0]=3 2715 B13R1.139 CCOc1ccc(cc1)C(=O)OC 3e75b53a78270d5f6be841a8e24f6c96 [0,3,0,0,0,0|1,0,0]=4 2716 B13R1.139 CCOc1ccc(nc1)C(=O)NC 3fdb483eeb44ee45126f0d3dd5948bc4 [0,3,0,0,0,0|1,0,0]=4 2717 B13R1.139 CNC(=O)c1ccc(cc1)NC=O ee256b4df43d2b433117bef66fc4bf7a [0,3,0,0,0,0|0,0,0]=3 2718 B13R1.139 CNC(=O)c1ccc(cc1)NCF 3f2e69ce2094ad42d3e17bd9a76e63b6 [0,3,0,0,0,0|0,0,0]=3 2719 B13R1.139 CNC(=O)c1ccc(cc1)NCO 4ef5e680f08fa72cd1e1de455607051b [0,3,0,0,0,0|0,0,0]=3 2720 B13R1.139 CNC(=O)c1ccc(cc1)OCF 942e450b43b741a5bd331eb96f694f3b [0,3,0,0,0,0|0,0,0]=3 2721 B13R1.139 CNC(=O)c1ccc(cn1)NC=O a5d6a539d942041f4d523a5032f2d578 [0,3,0,0,0,0|1,0,0]=4 2722 B13R1.139 CNC(=O)c1ccc(cn1)NCF 5881b4b81a18b4a20985a2e64be21ad6 [0,3,0,0,0,0|1,0,0]=4 2723 B13R1.139 CNC(=O)c1ccc(cn1)NCO ffbe637a81c9a563de9ad12fe0bcfeda [0,3,0,0,0,0|1,0,0]=4 2724 B13R1.139 CNC(=O)c1ccc(cn1)OCF ab8fc17918d339040c67dd3012dac6c9 [0,3,0,0,0,0|1,0,0]=4 2725 B13R1.139 CNC(=O)c1ccc(nc1)NC=O 5505db81bb90aac846bd714d0bc95067 [0,3,0,0,0,0|1,0,0]=4 2726 B13R1.139 CNC(=O)c1ccc(nc1)NCF 43ab68cb18ea00b88c05b32088a3650a [0,3,0,0,0,0|1,0,0]=4 2727 B13R1.139 CNC(=O)c1ccc(nc1)NCO b07662a4b16e2ce5aa174fd82e007f3a [0,3,0,0,0,0|1,0,0]=4 2728 B13R1.139 COC(=O)c1ccc(cc1)NC=O a7f77b659cc95a724807a56763ed8c9e [0,3,0,0,0,0|1,0,0]=4 2729 B13R1.139 COC(=O)c1ccc(cc1)NCF 28ae02c79ce29e5667b6136a2cacc145 [0,3,0,0,0,0|1,0,0]=4 2730 B13R1.139 COC(=O)c1ccc(cc1)NCO ad3bcda557c4b3729ee186a87dd55061 [0,3,0,0,0,0|1,0,0]=4 2731 B13R1.139 COC(=O)c1ccc(cc1)OCF 64bd49f85dded0f4c34376fa8cb228c7 [0,3,0,0,0,0|1,0,0]=4 2732 B13R1.139 O=C(NO)c1ccc(cc1)NCF 9d91ee4426a41b6c234033775dc00bb5 [0,3,0,0,0,0|1,0,0]=4 2733 B13R1.139 O=C(NO)c1ccc(cc1)NCO 5a839685023a43ca4a1c3a01372c0adf [0,3,0,0,0,0|1,0,0]=4 2734 B13R1.139 O=CNc1ccc(cc1)C(=O)NO 18495d8f4328ff7d06531502bbac55f3 [0,3,0,0,0,0|1,0,0]=4 2735 B13R1.374 CCC(=O)c1cccc(c1)NC=O c236ff993984f36e166b06b4ac8cb3df [0,3,0,0,0,0|1,0,0]=4 2736 B13R1.374 CCC(=O)c1cccc(c1)NCF c49a295f10a526cf59227793534c4e4f [0,3,0,0,0,0|1,0,0]=4 2737 B13R1.374 CCC(=O)c1cccc(c1)NCO 6e22151360eb865615bfff79880052bb [0,3,0,0,0,0|1,0,0]=4 2738 B13R1.374 CCC(=O)c1cccc(c1)OCF 8ad90e8b4ab442c366f264d24c4fd0ef [0,3,0,0,0,0|1,0,0]=4 2739 B13R1.374 CCNc1cc(ccn1)C(=O)NC a16321190d1ddb4473a8a17763630517 [0,3,0,0,0,0|1,0,0]=4 2740 B13R1.374 CCNc1cccc(c1)C(=O)CC 201d0cbc317b4940223f5cd031d8a442 [0,3,0,0,0,0|1,0,0]=4 2741 B13R1.374 CCNc1cccc(c1)C(=O)NC 98f97a8565e8a3c46fcbdeef2166f747 [0,3,0,0,0,0|0,0,0]=3 2742 B13R1.374 CCNc1cccc(c1)C(=O)OC 6dcac4f2fe5111e90824c28c84bcdfa2 [0,3,0,0,0,0|1,0,0]=4 2743 B13R1.374 CCOc1cccc(c1)C(=O)CC e40d5420e68436cba83af3eaaf65803b [0,3,0,0,0,0|1,0,0]=4 2744 B13R1.374 CCOc1cccc(c1)C(=O)NC 5fd0b32c795cc61fc0104828b94e84af [0,3,0,0,0,0|0,0,0]=3 2745 B13R1.374 CCOc1cccc(c1)C(=O)OC 9a19a7e3be964b53943ee1bd7f1f2b3a [0,3,0,0,0,0|1,0,0]=4 2746 B13R1.374 CCOc1ccnc(c1)C(=O)NC 858b3cdc4be9a497fa78a7dbbd1dcd71 [0,3,0,0,0,0|1,0,0]=4 2747 B13R1.374 CNC(=O)c1cc(ccn1)OCF 4c5b98a4aedd60c3c40cc33649e31796 [0,3,0,0,0,0|1,0,0]=4 2748 B13R1.374 CNC(=O)c1cccc(c1)NC=O 94c000669f1503216a84fe3680f070d0 [0,3,0,0,0,0|0,0,0]=3 2749 B13R1.374 CNC(=O)c1cccc(c1)NCF bd0b18468b13007bd41bcda91ea40abe [0,3,0,0,0,0|0,0,0]=3 2750 B13R1.374 CNC(=O)c1cccc(c1)NCO bee3866f86ec12207e406b42707a1d18 [0,3,0,0,0,0|0,0,0]=3 2751 B13R1.374 CNC(=O)c1cccc(c1)OCF b08fad7f98713d3332e9e812b9b3c068 [0,3,0,0,0,0|0,0,0]=3 2752 B13R1.374 CNC(=O)c1cccc(n1)NC#N 3a69ae209d30adf143ea966e236b9a5a [0,3,0,0,0,0|1,0,0]=4 2753 B13R1.374 CNC(=O)c1ccnc(c1)NC=O af825cac52f3d5d5b4a946cf31ebc983 [0,3,0,0,0,0|1,0,0]=4 2754 B13R1.374 CNC(=O)c1ccnc(c1)NCF 7816b584628038d91924b1843456a1ca [0,3,0,0,0,0|1,0,0]=4 2755 B13R1.374 CNC(=O)c1ccnc(c1)NCO 49e058a56af4a8227a3c8728712b4225 [0,3,0,0,0,0|1,0,0]=4 2756 B13R1.374 COC(=O)c1cccc(c1)NC=O e73618be7dabfb1f075034c72b500a95 [0,3,0,0,0,0|1,0,0]=4 2757 B13R1.374 COC(=O)c1cccc(c1)NCF f2b556a251b1d94eb2093be6b5bcb12b [0,3,0,0,0,0|1,0,0]=4 2758 B13R1.374 COC(=O)c1cccc(c1)NCO 8a5a9e943b96a057c272974f42f4850c [0,3,0,0,0,0|1,0,0]=4 2759 B13R1.374 COC(=O)c1cccc(c1)OCF 293e44061ef7a0b748310ac881e4eefb [0,3,0,0,0,0|1,0,0]=4 2760 B13R1.382 CCC(=O)c1ccccc1NC=O 1a79de358f4e3915306c18b7a034969d [0,3,0,0,0,0|1,0,0]=4 2761 B13R1.382 CCC(=O)c1ccccc1NCF 8e7de58ac3da7e4b4e661d25ee89d860 [0,3,0,0,0,0|1,0,0]=4 2762 B13R1.382 CCC(=O)c1ccccc1OCF 6634876b98a77c93d1bb80962ba4518c [0,3,0,0,0,0|1,0,0]=4 2763 B13R1.382 CCNc1ccccc1C(=O)NC 1d45684dba4a2c74e93e59fc4ea7b14e [0,3,0,0,0,0|0,0,0]=3 2764 B13R1.382 CCNc1ccccc1C(=O)NO 48c8b0622703656b30a9a81ff575928b [0,3,0,0,0,0|1,0,0]=4 2765 B13R1.382 CCNc1ccncc1C(=O)NC 761e4e7c9b97264c5e0b12be570d7c7b [0,3,0,0,0,0|1,0,0]=4 2766 B13R1.382 CCNc1cnccc1C(=O)NC 86fa1cfbbbbeedb510e1ad9e98db2506 [0,3,0,0,0,0|1,0,0]=4 2767 B13R1.382 CCNc1ncccc1C(=O)NC 63dcbbdb48d93cff1e79655cd639ed39 [0,3,0,0,0,0|1,0,0]=4 2768 B13R1.382 CCOc1ccccc1C(=O)CC ef0c7fee6b220c598f975629b3c48aed [0,3,0,0,0,0|1,0,0]=4 2769 B13R1.382 CCOc1ccccc1C(=O)NC 000a42c64a7766628d7bd8177f881591 [0,3,0,0,0,0|0,0,0]=3 2770 B13R1.382 CCOc1ccccc1C(=O)OC a6efb84491b0b5388501da519c64242f [0,3,0,0,0,0|1,0,0]=4 2771 B13R1.382 CCOc1cccnc1C(=O)NC 70f3923ca802d65f4d7ee53de4a3de05 [0,3,0,0,0,0|1,0,0]=4 2772 B13R1.382 CNC(=O)c1ccccc1NC=O d3df0661651a92c53531b1af96ead53a [0,3,0,0,0,0|0,0,0]=3 2773 B13R1.382 CNC(=O)c1ccccc1NCF 1c7ec6f89df3c47255e896ee0fbca32e [0,3,0,0,0,0|0,0,0]=3 2774 B13R1.382 CNC(=O)c1ccccc1NCO 0aff6ac4609d3090e2acb2b70f35cbc3 [0,3,0,0,0,0|0,0,0]=3 2775 B13R1.382 CNC(=O)c1ccccc1OCF 9e3e9d02e2336a81abd8a2aa6c83bd8f [0,3,0,0,0,0|0,0,0]=3 2776 B13R1.382 CNC(=O)c1cccnc1NC#N a3978ddfbd19616aeebd11c0a80cddfc [0,3,0,0,0,0|1,0,0]=4 2777 B13R1.382 CNC(=O)c1cccnc1NC=O c8f1bd42d9eb9801bb484808532dd030 [0,3,0,0,0,0|1,0,0]=4 2778 B13R1.382 CNC(=O)c1cccnc1NCF e5629ee5bff829c929755ea33bf36a12 [0,3,0,0,0,0|1,0,0]=4 2779 B13R1.382 CNC(=O)c1cccnc1NCO 32e4d5c71fbaca1c7b2a42bbc9c82e7f [0,3,0,0,0,0|1,0,0]=4 2780 B13R1.382 CNC(=O)c1ccncc1NC=O 4051efef63bfbd8d44cf173716348722 [0,3,0,0,0,0|1,0,0]=4 2781 B13R1.382 CNC(=O)c1ccncc1NCF d5f023c16d15adfd7bff3e09e9bdd31c [0,3,0,0,0,0|1,0,0]=4 2782 B13R1.382 CNC(=O)c1ccncc1NCO 3e13e7d18545ba81e1655b019042e35b [0,3,0,0,0,0|1,0,0]=4 2783 B13R1.382 CNC(=O)c1cnccc1NC=O bdfd3b8056fae3c5ae7f23a328277bb4 [0,3,0,0,0,0|1,0,0]=4 2784 B13R1.382 CNC(=O)c1cnccc1NCF d8697c90a813acfc4a5832b3fa476e57 [0,3,0,0,0,0|1,0,0]=4 2785 B13R1.382 CNC(=O)c1cnccc1NCO 7ac056b1a80bf7bb3ca7cc73f84bfb8c [0,3,0,0,0,0|1,0,0]=4 2786 B13R1.382 CNC(=O)c1ncccc1OCF 321b7148029ac3d29ceed2d67acdf0f4 [0,3,0,0,0,0|1,0,0]=4 2787 B13R1.382 COC(=O)c1ccccc1NC#N 1d2d0e369c253a84d337dc5ac4188e02 [0,3,0,0,0,0|1,0,0]=4 2788 B13R1.382 COC(=O)c1ccccc1OCF 9df749821a8627ed881bf05de8b70311 [0,3,0,0,0,0|1,0,0]=4 2789 B13R1.382 O=C(NO)c1ccccc1NCF b652aa669b6c242aa22b7822f5e44f89 [0,3,0,0,0,0|1,0,0]=4 2790 B13R1.382 O=C(NO)c1ccccc1NCO f2976d75fbd4d9cf65bda5c178c2674e [0,3,0,0,0,0|1,0,0]=4 2791 B13R1.382 O=CNc1ccccc1C(=O)NO 99ae6c68024bc8640d811ad122d1cfb4 [0,3,0,0,0,0|1,0,0]=4 2792 B13R2.27 O=C1CCC1Nc2ccccc2 19af677ce18a39a689c42bbc9ddc96eb [0,0,0,1,0,2|1,0,0]=4 2793 B13R2.27 O=C1NC[C@@H]1Nc2ccccc2 b1d717f30caacc646efb68d3b058edf1 [0,0,0,1,0,2|0,0,0]=3 2794 B13R2.27 O=C1NC[C@@H]1Nc2cccnc2 68b74acba010456321ba72f1b8d2bbce [0,0,0,1,0,2|1,0,0]=4 2795 B13R2.26 CCNc1nc2ccccc2[nH]1 89c9ecbde04a879e148c867393f3c192 [0,1,0,1,0,1|1,0,0]=4 2796 B13R2.26 CCNc1nc2ccccc2o1 f91cb036939677965ead99daf0a8699a [0,1,0,1,0,1|0,0,1]=4 2797 B13R2.26 CCNc1nc2ccccc2s1 5c019834a3b3042c44afbd79293439c9 [0,1,0,1,0,1|0,1,0]=4 2798 B13R2.26 FCNc1nc2ccccc2[nH]1 8ce96e3491a22a3af49993aca65e6b88 [0,1,0,1,0,1|1,0,0]=4 2799 B13R2.26 FCNc1nc2ccccc2o1 3618abe4a62058cc2ab79c2a8a2d6a45 [0,1,0,1,0,1|0,0,1]=4 2800 B13R2.26 FCNc1nc2ccccc2s1 3d8f7d8b5f37ae728342aacaa2ffe95e [0,1,0,1,0,1|0,1,0]=4 2801 B13R2.26 OCNc1cc2ccccc2s1 1b8fe1cd32942769d58a59a726985c6d [0,1,0,1,0,1|0,1,0]=4 2802 B13R2.26 OCNc1nc2ccccc2[nH]1 f102cadcfe7cc2971c2d05f715106fe5 [0,1,0,1,0,1|1,0,0]=4 2803 B13R2.26 OCNc1nc2ccccc2o1 f720aba04b80e53ce16db0c773042ec2 [0,1,0,1,0,1|0,0,1]=4 2804 B13R2.26 OCNc1nc2ccccc2s1 eceb7a542e3192b3b5ec9e142bd7bd4d [0,1,0,1,0,1|0,1,0]=4 2805 B13R2.1 CCNc1c[nH]c2c1cccc2 4920bd96e85cfd1292a4b6790abfcbf3 [0,2,0,1,0,0|1,0,0]=4 2806 B13R2.1 CCNc1csc2c1cccc2 6dd41b9f0a78472cc182ab65508da2ad [0,2,0,1,0,0|0,1,0]=4 2807 B13R2.1 CCNc1n[nH]c2c1cccc2 ab24938aab76e2a4be38fb5fcd037e0f [0,2,0,1,0,0|1,0,0]=4 2808 B13R2.1 CCNc1noc2c1cccc2 c56826f7762368bb7776dc698cd1c5bf [0,2,0,1,0,0|0,0,1]=4 2809 B13R2.1 CCNc1nsc2c1cccc2 c51f5eadafffdb7f7dd834cbdb62ae98 [0,2,0,1,0,0|0,1,0]=4 2810 B13R2.1 CCNc1onc2c1cccc2 590b13fb7aa2850fbc99087b234e3054 [0,2,0,1,0,0|0,0,1]=4 2811 B13R2.1 CCNc1snc2c1cccc2 441d4abce0b4b4ea931f3c6b7f8fc01f [0,2,0,1,0,0|0,1,0]=4 2812 B13R2.1 FCNc1c[nH]c2c1cccc2 59ba68714c6b2533ed2b55defcd1ee5a [0,2,0,1,0,0|1,0,0]=4 2813 B13R2.1 FCNc1csc2c1cccc2 212bbe2c97437f4fa61695197661b592 [0,2,0,1,0,0|0,1,0]=4 2814 B13R2.1 FCNc1n[nH]c2c1cccc2 01be82f1b413533bded03086070dc52d [0,2,0,1,0,0|1,0,0]=4 2815 B13R2.1 FCNc1noc2c1cccc2 458df2bc0f94127dfb1459e61eef4530 [0,2,0,1,0,0|0,0,1]=4 2816 B13R2.1 FCNc1nsc2c1cccc2 2de285b3cc8dc175330ce18d98e184be [0,2,0,1,0,0|0,1,0]=4 2817 B13R2.1 FCNc1onc2c1cccc2 0d110040e8e153acee043fca4046fa76 [0,2,0,1,0,0|0,0,1]=4 2818 B13R2.1 FCNc1snc2c1cccc2 d7f58db7b02a5df1391625c889d9cb76 [0,2,0,1,0,0|0,1,0]=4 2819 B13R2.1 OCNc1c[nH]c2c1cccc2 e44d4aa993e29879a79d02f560bb5b04 [0,2,0,1,0,0|1,0,0]=4 2820 B13R2.1 OCNc1csc2c1cccc2 140c460ff7852dfd589d95a08181a842 [0,2,0,1,0,0|0,1,0]=4 2821 B13R2.1 OCNc1n[nH]c2c1cccc2 cde740b36d1b03ac8ac79478d75fbb02 [0,2,0,1,0,0|1,0,0]=4 2822 B13R2.1 OCNc1noc2c1cccc2 3fa76e0853a6bf43c013b6d047aa569d [0,2,0,1,0,0|0,0,1]=4 2823 B13R2.1 OCNc1nsc2c1cccc2 54758b2a3564df68f451b392c744afbe [0,2,0,1,0,0|0,1,0]=4 2824 B13R2.1 OCNc1onc2c1cccc2 122f01b0ea1494093ea0db2630d3ab9c [0,2,0,1,0,0|0,0,1]=4 2825 B13R2.1 OCNc1snc2c1cccc2 e4d676d7beca56b5ba18f184d7e74061 [0,2,0,1,0,0|0,1,0]=4 2826 B13R2.690 O=C(NC1CC1)c2ccccc2 e920cb3f12c2a1e3b34200476897d963 [0,2,0,1,0,0|0,0,0]=3 2827 B13R2.690 O=C(NC1CC1)c2ccccn2 7f3142d679d5543e4f0a7f7b6ef7dbf6 [0,2,0,1,0,0|1,0,0]=4 2828 B13R2.690 O=C(NC1CC1)c2cccnc2 c9a6138ae7fe582c8f2f33a809ee12e5 [0,2,0,1,0,0|1,0,0]=4 2829 B13R2.690 O=C(NC1CC1)c2ccncc2 47c47297bc6b1db5e682911d93aa5abc [0,2,0,1,0,0|1,0,0]=4 2830 B13R1.718 CCC(=O)CNCc1ccccc1 379e58d542b4d413818ec926fe2743ec [0,0,0,0,0,3|1,0,0]=4 2831 B13R1.718 CCC(=O)COCc1ccccc1 266396ee78f62f5a5e858c0195fee052 [0,0,0,0,0,3|1,0,0]=4 2832 B13R1.718 CCC(=O)NCCc1ccccc1 5d7fd1b17306dee08da5fe69e0aad8af [0,0,0,0,0,3|1,0,0]=4 2833 B13R1.718 CNC(=O)CCNc1ccccc1 cf273db49a64604940b5199666756b35 [0,0,0,0,0,3|0,0,0]=3 2834 B13R1.718 CNC(=O)CCNc1ccccn1 b5e269f8e9268eaad94eba4a6f47275c [0,0,0,0,0,3|1,0,0]=4 2835 B13R1.718 CNC(=O)CCNc1cccnc1 fd648fdf3c73cc19e356d72860f12831 [0,0,0,0,0,3|1,0,0]=4 2836 B13R1.718 CNC(=O)CCNc1ccncc1 10c4138f5f50f7d751881375b69a5af5 [0,0,0,0,0,3|1,0,0]=4 2837 B13R1.718 CNC(=O)CCOc1ccccn1 f28656fc0551a973ee712ccce7e2e225 [0,0,0,0,0,3|1,0,0]=4 2838 B13R1.718 CNC(=O)CCOc1cccnc1 a607fb779f37675fbcf9a48661c701ff [0,0,0,0,0,3|1,0,0]=4 2839 B13R1.718 CNC(=O)CCOc1ccncc1 34a271623b05fd6872e0981ff6eb0aef [0,0,0,0,0,3|1,0,0]=4 2840 B13R1.718 CNC(=O)CNCc1ccccc1 13c5aa70031d86dc84c604128f7e10a9 [0,0,0,0,0,3|0,0,0]=3 2841 B13R1.718 CNC(=O)CNCc1ccccn1 e434960a4d9522c4546a026fda6e6d8a [0,0,0,0,0,3|1,0,0]=4 2842 B13R1.718 CNC(=O)CNCc1cccnc1 0668b59ecd5487b7ee7ff8eb23cf071a [0,0,0,0,0,3|1,0,0]=4 2843 B13R1.718 CNC(=O)CNCc1ccncc1 05a4b6aec34a42c62b795db6331d5ea6 [0,0,0,0,0,3|1,0,0]=4 2844 B13R1.718 CNC(=O)COCc1ccccc1 f6f28fc8fe99fc848c01537d265d08ae [0,0,0,0,0,3|0,0,0]=3 2845 B13R1.718 CNC(=O)COCc1ccccn1 78cd978f066aee6c94747109ad9ddbea [0,0,0,0,0,3|1,0,0]=4 2846 B13R1.718 CNC(=O)COCc1cccnc1 2f141d2a763d247e7264526a6f2e67af [0,0,0,0,0,3|1,0,0]=4 2847 B13R1.718 CNC(=O)COCc1ccncc1 2bc479ec74b7ce76aae53b619945c468 [0,0,0,0,0,3|1,0,0]=4 2848 B13R1.718 COC(=O)CCNc1ccccc1 f9a531e654184a73e34a70c076a01e72 [0,0,0,0,0,3|1,0,0]=4 2849 B13R1.718 COC(=O)CNCc1ccccc1 432cb974df5f60a3ba0208949a9b1c17 [0,0,0,0,0,3|1,0,0]=4 2850 B13R1.718 COC(=O)COCc1ccccc1 e46d7b2f756921afd494cbaafe025c22 [0,0,0,0,0,3|1,0,0]=4 2851 B13R1.718 O=C(CCNc1ccccc1)NO 8b033323d51f01c1f25698e02d1dfbe0 [0,0,0,0,0,3|1,0,0]=4 2852 B13R1.718 O=C(CNCc1ccccc1)NO 6eff27a01772c4751739e0f8fc4a4bbb [0,0,0,0,0,3|1,0,0]=4