0 B12R1.478 CC(C)C(C=O)N1CC=CCC1 2d85e9d198b9a8ceb905a0e314565ea7 [0,0,0,0,0,0|1,0,3]=4 1 B12R1.478 CC(C)N(C#N)c1ccccc1 791504caa838a69af0259636516d458c [0,0,0,0,0,0|2,0,1]=3 2 B12R1.478 CC(C)N(C=O)c1ccccn1 bf9e5e4b2ec097904780d85032eb08ab [0,0,0,0,0,0|2,0,0]=2 3 B12R1.478 CC(C)N(C=O)c1cccnn1 d52a5cfcc9e384168fc8e6a2e7894347 [0,0,0,0,0,0|3,0,0]=3 4 B12R1.478 CCN(c1ccncc1)C(C)C 787d2d43aa87a5d2cadfb31da3da882b [0,0,0,0,0,0|3,0,1]=4 5 B11R1.12 CCN(C#N)c1ccccc1 0a33bcc251eace95a09e2548bafab86c [1,0,0,0,0,0|2,0,1]=4 6 B11R1.12 CCN(C=O)c1ccccc1 da6bb0dc53f1d66135131d66e3bbe341 [1,0,0,0,0,0|1,0,0]=2 7 B11R1.12 CCN(C=O)c1ccccn1 37ec100e83e1f6ae17d6e3d5e7e2efcf [1,0,0,0,0,0|2,0,0]=3 8 B11R1.12 CCN(C=O)c1cccnc1 480f2644a238345f8cb34be867d4aca8 [1,0,0,0,0,0|2,0,0]=3 9 B11R1.12 CCN(C=O)c1cccnn1 bc5719b16cc7ecd03429b0711c320eb4 [1,0,0,0,0,0|3,0,0]=4 10 B11R1.12 CCN(C=O)c1ccncc1 509a741e45cf3609202d1982e0d164de [1,0,0,0,0,0|2,0,0]=3 11 B11R1.12 CCN(C=O)c1ccnnc1 fe3d76655349ae24f92703f860ee65b0 [1,0,0,0,0,0|3,0,0]=4 12 B11R1.12 CCN(C=O)c1cnccn1 2106275e2d269f3c272150672947c57e [1,0,0,0,0,0|3,0,0]=4 13 B11R1.12 CCN(C=O)c1cncnc1 cd46d9bff73ae0e41def8003b3301e1e [1,0,0,0,0,0|3,0,0]=4 14 B11R1.12 CCN(CF)c1ccccc1 64bfdf9f1ec7c91dbb7909bf38760f4f [1,0,0,0,0,0|2,0,1]=4 15 B13R1.405 C=CCN(c1ccccc1)C(C)C 2795c479ac703f57f2e169ab7e2ee15c [0,1,0,0,0,0|2,0,0]=3 16 B13R1.405 C=CCN(c1ccccn1)C(C)C 2dd18120323dea8465ee531054140936 [0,1,0,0,0,0|3,0,0]=4 17 B13R1.405 C=CCN(c1cccnc1)C(C)C 77bdd9752d7878b3d94a9e28cf083fe2 [0,1,0,0,0,0|3,0,0]=4 18 B13R1.405 CC(C)C(NC=O)c1ccccn1 962a21e2217434327c9a613f241d7af4 [0,1,0,0,0,0|1,0,0]=2 19 B13R1.405 CC(C)C(NC=O)c1cccnc1 8cfa76db55aba69ef37ea6b2b7f47b84 [0,1,0,0,0,0|1,0,0]=2 20 B13R1.405 CC(C)C(NC=O)c1ccncc1 88adce894c29d2c38a31c7c0441a2505 [0,1,0,0,0,0|1,0,0]=2 21 B13R1.405 CC(C)C(NCF)c1ccccn1 70ad1bb1dcd7f55e7956b7d8d5964c8c [0,1,0,0,0,0|2,0,1]=4 22 B13R1.405 CC(C)C(NCF)c1cccnc1 dcf020dbe8f2d33c2c92ebd49407871b [0,1,0,0,0,0|2,0,1]=4 23 B13R1.405 CC(C)C(NCF)c1ccncc1 149bfceeaae9e9bc1caf339ff6bf444d [0,1,0,0,0,0|2,0,1]=4 24 B13R1.405 CC(C)C(NCO)c1ccccc1 07de733553453cfe8576721a28d22697 [0,1,0,0,0,0|0,0,2]=3 25 B13R1.405 CC(C)C(NCO)c1ccccn1 6a1579f02de768b2873f6a36e5dfd6c6 [0,1,0,0,0,0|1,0,2]=4 26 B13R1.405 CC(C)C(NCO)c1cccnc1 faa6f2f7a85ae9af3f8a508db511fee9 [0,1,0,0,0,0|1,0,2]=4 27 B13R1.405 CC(C)C(NCO)c1ccncc1 0ea47ee9b0490d896c1b718b071e739d [0,1,0,0,0,0|1,0,2]=4 28 B13R1.405 CC(C)C(OCF)c1cccnc1 8dae260b884c7f842ddf11f6df2ee2f9 [0,1,0,0,0,0|2,0,1]=4 29 B13R1.405 CC(C)N(CC=O)c1ccccc1 7aa4ef54bf649848dc75238416a7b06d [0,1,0,0,0,0|1,0,0]=2 30 B13R1.405 CC(C)N(CC=O)c1ccccn1 f4ae104353abd170d66914ff530f6b10 [0,1,0,0,0,0|2,0,0]=3 31 B13R1.405 CC(C)N(CC=O)c1cccnn1 672eff144b86ceaec743a5afd09909dc [0,1,0,0,0,0|3,0,0]=4 32 B13R1.405 CC(C)N(CC=O)c1ncccn1 74c4c1ef960009d988a1445e282ab53c [0,1,0,0,0,0|3,0,0]=4 33 B13R1.405 CC(C)N(CCO)c1ccccc1 fab42c6f362ee9abf90e4b404a348a38 [0,1,0,0,0,0|1,0,2]=4 34 B13R1.405 CC(C)[C@@H](NC=O)c1ccccn1 b6b41495eac60fdf78b751cdad626c79 [0,1,0,0,0,0|1,0,0]=2 35 B13R1.405 CC(C)[C@@H](NCF)c1ccccn1 31f0f57770d3dde983e1d2a9a9c4137a [0,1,0,0,0,0|2,0,1]=4 36 B13R1.405 CC(C)[C@@H](NCO)c1ccccc1 55249c4e59a4f4ba5caf32b3fb2c6fc4 [0,1,0,0,0,0|0,0,2]=3 37 B13R1.405 CC(C)[C@@H](NCO)c1ccccn1 5dba113893bc2e25894e43449da96c2c [0,1,0,0,0,0|1,0,2]=4 38 B13R1.405 CC(C)[C@H](NC=O)c1ccccn1 fdb1d3b28ffb093191e79bccc11d14b6 [0,1,0,0,0,0|1,0,0]=2 39 B13R1.405 CC(C)[C@H](NCF)c1ccccn1 fe407fe62998eda3af00b0578a0ec7e0 [0,1,0,0,0,0|2,0,1]=4 40 B13R1.405 CC(C)[C@H](NCO)c1ccccc1 7b2f227d3ed432baf39efac7bfeab67c [0,1,0,0,0,0|0,0,2]=3 41 B13R1.405 CC(C)[C@H](NCO)c1ccccn1 156c0e0ad4ef81869bbfd54b4756f2cb [0,1,0,0,0,0|1,0,2]=4 42 B13R1.405 CC(O)C(NC=O)c1ccccc1 253b7ff965779656e043ad99eab5bfa2 [0,1,0,0,0,0|1,0,0]=2 43 B13R1.405 CC(O)C(NCO)c1ccccc1 5efad585560be632273fbbc5f0cee689 [0,1,0,0,0,0|1,0,2]=4 44 B13R1.405 CCNC(c1ccccc1)C(C)C b59bdf62bf1823d4ac621438087875da [0,1,0,0,0,0|1,0,1]=3 45 B13R1.405 CCNC(c1ccccc1)C(C)O 988d7623da86c7523910834be7c2cbf2 [0,1,0,0,0,0|2,0,1]=4 46 B13R1.405 CCNC(c1ccccn1)C(C)C 69f280ed989a480e6c8e4009d6b33f89 [0,1,0,0,0,0|2,0,1]=4 47 B13R1.405 CCNC(c1cccnc1)C(C)C 9441c6342ce889dcb2523f4bf955f0d2 [0,1,0,0,0,0|2,0,1]=4 48 B13R1.405 CCNC(c1ccncc1)C(C)C df9590b1efdb11322aef2cab088cd456 [0,1,0,0,0,0|2,0,1]=4 49 B13R1.405 CCN[C@@H](c1ccccc1)C(C)C 16a72345cfec2784acf07e0d35e5e53e [0,1,0,0,0,0|1,0,1]=3 50 B13R1.405 CCN[C@@H](c1ccccc1)[C@@H](C)O f20ca8406b180490a93f6c7162117bab [0,1,0,0,0,0|2,0,1]=4 51 B13R1.405 CCN[C@@H](c1ccccn1)C(C)C f88e2719adb810111078c1bc139cee63 [0,1,0,0,0,0|2,0,1]=4 52 B13R1.405 CCN[C@H](c1ccccc1)C(C)C 181aa7a59d98b9cd3ee9d00dfa22451a [0,1,0,0,0,0|1,0,1]=3 53 B13R1.405 CCN[C@H](c1ccccc1)[C@H](C)O 6991d7a1243e3ded31841a19ec54220a [0,1,0,0,0,0|2,0,1]=4 54 B13R1.405 CCN[C@H](c1ccccn1)C(C)C b6e6d4a1097e18d7b255bc17153cd079 [0,1,0,0,0,0|2,0,1]=4 55 B13R1.405 CCOC(c1cccnc1)C(C)C f86acb3a30e25400750e314358896b16 [0,1,0,0,0,0|2,0,1]=4 56 B13R1.405 C[C@@H](O)[C@@H](NC=O)c1ccccc1 70f0bb18fd3f35d5c1ed806674580a85 [0,1,0,0,0,0|1,0,0]=2 57 B13R1.405 C[C@@H](O)[C@@H](NCO)c1ccccc1 b6ccc7e84e97380662f586d14119671b [0,1,0,0,0,0|1,0,2]=4 58 B13R1.405 C[C@H](O)[C@H](NC=O)c1ccccc1 401dac024de396cc7b1702fe7ea45488 [0,1,0,0,0,0|1,0,0]=2 59 B13R1.405 C[C@H](O)[C@H](NCO)c1ccccc1 a7a91df13472e0f9cb26ceb89e783eba [0,1,0,0,0,0|1,0,2]=4 60 B13R1.405 NC(=O)C(NC=O)c1ccccc1 1419cf8bc61a4c9b2c0985ddfc0d7969 [0,1,0,0,0,0|2,0,1]=4 61 B13R1.405 NC(=O)[C@@H](NC=O)c1ccccc1 8eddd458075b7f3911b7198f3739de70 [0,1,0,0,0,0|2,0,1]=4 62 B13R1.405 NC(=O)[C@H](NC=O)c1ccccc1 c2e6682bd89c44856ce5ad4e8c283a08 [0,1,0,0,0,0|2,0,1]=4 63 B13R1.532 C=CC(c1ccccc1)N(C)CC f1c9deaa1370722db0c82fe4307b9eda [0,1,0,0,0,0|2,0,0]=3 64 B13R1.532 CC(C=O)N(C=O)c1ccccc1 3fac2487132ca501aeed6fa1a2da7751 [0,1,0,0,0,0|1,0,1]=3 65 B13R1.532 CC(CO)N(C#N)c1ccccc1 d26bfadfaf7f639b9f91f91c25a53db6 [0,1,0,0,0,0|2,0,1]=4 66 B13R1.532 CCC(C)N(C#N)c1ccccc1 8438ba7addbd22e0a6524d19745d469d [0,1,0,0,0,0|2,0,1]=4 67 B13R1.532 CCN(C)C(C=O)c1ccccc1 f990741681601dfdd34b91c11a5b4755 [0,1,0,0,0,0|1,0,0]=2 68 B13R1.532 CCN(c1ccccc1)C(C)CO 5174ab7a98da489b5cf0777ec24c370f [0,1,0,0,0,0|2,0,1]=4 69 B13R1.532 CN(CO)C(CO)c1ccccc1 7ad405ce53c745a0b9ed0c0b5684d363 [0,1,0,0,0,0|1,0,2]=4 70 B13R1.532 CN(CO)[C@@H](CO)c1ccccc1 83a3734315e281feaac74f943f43a7b9 [0,1,0,0,0,0|1,0,2]=4 71 B13R1.532 CN(CO)[C@H](CO)c1ccccc1 43b8f6a91940244856e14fe5e2500d1d [0,1,0,0,0,0|1,0,2]=4 72 B13R1.532 C[C@@H](CO)N(C#N)c1ccccc1 a45ed5f2ab31c433e76b7ac75f95fb97 [0,1,0,0,0,0|2,0,1]=4 73 B13R1.532 C[C@H](CO)N(C#N)c1ccccc1 5f5da9cba561f83a0d4e5a1cf93d5135 [0,1,0,0,0,0|2,0,1]=4 74 B13R1.706 CC(C)N(C#N)c1ccc(cc1)Br 9a2d89fbda7de871ff45703639ebf177 [0,1,0,0,0,0|2,0,1]=4 75 B13R1.706 CC(C)N(C=O)c1ccc(cc1)Br cabf1dcc49c3472cbc8fccc51de1ce53 [0,1,0,0,0,0|1,0,0]=2 76 B13R1.706 CC(C)N(C=O)c1ccc(cc1)Cl 2f05344ed6d77798a8268260333d8dbd [0,1,0,0,0,0|1,0,0]=2 77 B13R1.706 CC(C)N(C=O)c1ccc(cc1)F 287920e47d7e0eb3e17ed87149a63571 [0,1,0,0,0,0|1,0,0]=2 78 B13R1.706 CC(C)N(C=O)c1ccc(cc1)O 95352495f54c429596f8afedad81bd28 [0,1,0,0,0,0|1,0,0]=2 79 B13R1.706 CC(C)N(CF)c1ccc(cc1)F 3e1d2e746cf9ce0d541176118fdf7cde [0,1,0,0,0,0|2,0,1]=4 80 B13R1.706 CC(C)N(CO)c1ccc(cc1)F a3604a20f85afe581eb99ea27abbd18f [0,1,0,0,0,0|1,0,2]=4 81 B13R1.706 CCN(c1ccc(cc1)F)C(C)C e8da0a09db75d724ae3967b102f29b46 [0,1,0,0,0,0|2,0,1]=4 82 B13R1.706 Cc1ccc(cc1)N(C=O)C(C)C 26a1073caa4cc770c003903e807909d6 [0,1,0,0,0,0|1,0,0]=2 83 B13R1.706 Cc1ccc(cc1)N(CF)C(C)C f8c761f9fbed4c558566812bf73c6002 [0,1,0,0,0,0|2,0,1]=4 84 B13R1.706 Cc1ccc(cc1)N(CO)C(C)C 140fd82f0db7eecc28131b2c63d40305 [0,1,0,0,0,0|1,0,2]=4 85 B13R1.716 CC(C)N(C#N)c1cccc(c1)Br eaa8fb10c4860a98bfd6e417e2460e6c [0,1,0,0,0,0|2,0,1]=4 86 B13R1.716 CC(C)N(C=O)c1cccc(c1)Br 038a4ced7ef0c0d597c1e869c1a4bb0c [0,1,0,0,0,0|1,0,0]=2 87 B13R1.716 CC(C)N(C=O)c1cccc(c1)Cl 687e6aed41296e49433e01f9c875fafd [0,1,0,0,0,0|1,0,0]=2 88 B13R1.716 CC(C)N(C=O)c1cccc(c1)F d3d6dbc80813d3079d78bdff63e95962 [0,1,0,0,0,0|1,0,0]=2 89 B13R1.716 CC(C)N(C=O)c1cccc(n1)Br 509c7ecac24be81c5a00280c2cb841e4 [0,1,0,0,0,0|2,0,0]=3 90 B13R1.716 CC(C)N(CF)c1cccc(c1)Br f35f5a46ce90c2289ecf22dafe549797 [0,1,0,0,0,0|2,0,1]=4 91 B13R1.716 CC(C)N(CF)c1cccc(c1)F 80544e7b31af064385eb5706f33f73fd [0,1,0,0,0,0|2,0,1]=4 92 B13R1.716 CC(C)N(CO)c1cccc(c1)Br 233e776152bd1c1c1fbf587c51e54a15 [0,1,0,0,0,0|1,0,2]=4 93 B13R1.716 CC(C)N(CO)c1cccc(c1)Cl 2ed3acad3d84eadf71e03cd5c9825bc6 [0,1,0,0,0,0|1,0,2]=4 94 B13R1.716 CC(C)N(CO)c1cccc(c1)F 90306aa749f8785dce64b9b68e166626 [0,1,0,0,0,0|1,0,2]=4 95 B13R1.716 CCN(c1cccc(c1)Br)C(C)C d5370cee95b853640d983dd7c014e440 [0,1,0,0,0,0|2,0,1]=4 96 B13R1.716 CCN(c1cccc(c1)F)C(C)C 8de9f00e242f510758bb633e8f6ac553 [0,1,0,0,0,0|2,0,1]=4 97 B13R1.716 Cc1cccc(c1)N(C=O)C(C)C 54e552d3b539301982ba49d5574c32c1 [0,1,0,0,0,0|1,0,0]=2 98 B13R1.719 CCN(c1ccccc1)C(C)(C)C 067bc51d5bf13acf51e96e5f74e9b043 [0,1,0,0,0,0|2,0,1]=4 99 B13R1.720 CC(C)N(C=O)c1ccccc1Br 60a484452b580ceab0f4d1d22ce72ef7 [0,1,0,0,0,0|1,0,0]=2 100 B13R1.720 CC(C)N(C=O)c1ccccc1F 079f04c5fb9349fc8d61462c587552fa [0,1,0,0,0,0|1,0,0]=2 101 B13R1.720 CC(C)N(C=O)c1ccccc1S c57439dc7556967d529b0305f7187cbc [0,1,0,0,0,0|1,0,0]=2 102 B13R1.720 CC(C)N(CO)c1ccccc1Cl 4b3fff5ab92eef6ebf8edd84525624a5 [0,1,0,0,0,0|1,0,2]=4 103 B13R1.720 Cc1ccccc1N(C=O)C(C)C 601d6e8bfa2df10855d01210e1df0692 [0,1,0,0,0,0|1,0,0]=2 104 B13R1.1111 CC(=O)N(c1ccccn1)C(C)C c9b4c484e6a276bed2c925a02c00c548 [0,1,0,0,0,0|2,0,0]=3 105 B13R1.1111 CC(=O)N(c1cccnn1)C(C)C 3bfc0d2f3c2228e2547b1447772396a3 [0,1,0,0,0,0|3,0,0]=4 106 B11R0.76 CC(C)C(C=O)OC/C=C/C=O 2db22484dd897ea972f186096e961010 [0,0,1,0,0,0|2,0,1]=4 107 B13R2.72 CC(C)N1CCc2c1cccc2 c4d404164fbe04e55e440222637ad19d [0,0,0,1,0,0|2,0,1]=4 108 B13R2.135 CC1Cc2ccccc2N1C=O e3f31cc4186aca572ed84f309636ae60 [0,0,0,1,0,0|1,0,0]=2 109 B13R2.135 CC1Cc2ccccc2N1CF a192d58ccf0db53b7b23e6aa89320120 [0,0,0,1,0,0|2,0,1]=4 110 B13R2.135 CC1Cc2ccccc2N1CO 02d19e35d5929aa1077687c152e82249 [0,0,0,1,0,0|1,0,2]=4 111 B13R2.135 CC1Cc2cccnc2N1C=O 724b5f09daedbc52dfbd9a656f684ea1 [0,0,0,1,0,0|2,0,0]=3 112 B13R2.135 C[C@@H]1Cc2ccccc2N1C=O 04d4df9798a33f18f6a8089a14b80514 [0,0,0,1,0,0|1,0,0]=2 113 B13R2.135 C[C@@H]1Cc2ccccc2N1CF e99ed5215a53ccc800a236e3cc321f2a [0,0,0,1,0,0|2,0,1]=4 114 B13R2.135 C[C@@H]1Cc2ccccc2N1CO 74734a49fc79a161a37b0699483f0aaa [0,0,0,1,0,0|1,0,2]=4 115 B13R2.135 C[C@H]1Cc2ccccc2N1C=O c3e1c2b118f860f8da6923386315dea7 [0,0,0,1,0,0|1,0,0]=2 116 B13R2.135 C[C@H]1Cc2ccccc2N1CF 99b65c9897f3c8a542924e319a6367c0 [0,0,0,1,0,0|2,0,1]=4 117 B13R2.135 C[C@H]1Cc2ccccc2N1CO a989031b31ae292f4784a94e43d82c0e [0,0,0,1,0,0|1,0,2]=4 118 B13R2.679 CCN(c1ccccc1)C2CC2 0aa19d5d80c103a23b48209b4979d624 [0,0,0,1,0,0|2,0,1]=4 119 B13R2.679 FCN(c1ccccc1)C2CC2 ebf5d922a8bf52ccbb064380c53c0a4c [0,0,0,1,0,0|2,0,1]=4 120 B13R2.679 N#CN(c1ccccc1)C2CC2 b28f32d9789c56c1510ea047eb492a34 [0,0,0,1,0,0|2,0,1]=4 121 B13R2.679 O=CN(c1ccccc1)C2CC2 81b6af8097ab536c3536f8b87f7c6f2c [0,0,0,1,0,0|1,0,0]=2 122 B13R2.679 O=CN(c1cccnn1)C2CC2 84b5f79906b09e9ca813ae4e4a3ee477 [0,0,0,1,0,0|3,0,0]=4 123 B13R2.679 O=CN(c1ccncc1)C2CC2 3e6cc97f31b95554287908eea0f9876c [0,0,0,1,0,0|2,0,0]=3 124 B13R2.679 O=CN(c1ccnnc1)C2CC2 3a2568c88344f5534cf02a539f935fb3 [0,0,0,1,0,0|3,0,0]=4 125 B13R2.679 OCN(c1ccccc1)C2CC2 670ac6ae72d00918ca240d9425b3fbfa [0,0,0,1,0,0|1,0,2]=4 126 B11R1.298 CC(C)C(C=O)N1CC=CC1 fd2eff6fe0fd52e6a6017126f05112e2 [0,0,0,0,1,0|1,0,2]=4 127 B13R1.418 CC(C)C(C=O)Nc1ccccc1 d774c4f620449b5df4c6d95d952d43bc [0,0,0,0,0,1|0,0,0]=1 128 B13R1.418 CC(C)C(C=O)Nc1ccccn1 4a58f1b1e7ed148f3da4319cf0cc3ea8 [0,0,0,0,0,1|1,0,0]=2 129 B13R1.418 CC(C)C(C=O)Nc1cccnc1 2b670336a7feb525e3918819220dfd82 [0,0,0,0,0,1|1,0,0]=2 130 B13R1.418 CC(C)C(C=O)Nc1cccnn1 c0905c32144111e18f197b3fc5fb65d9 [0,0,0,0,0,1|2,0,0]=3 131 B13R1.418 CC(C)C(C=O)Nc1ccncc1 a3c12e4c4659da4838cae40042d7fd72 [0,0,0,0,0,1|1,0,0]=2 132 B13R1.418 CC(C)C(C=O)Nc1ccncn1 541555d559a19bb91fa9b2ba85aad63d [0,0,0,0,0,1|2,0,0]=3 133 B13R1.418 CC(C)C(C=O)Nc1ccnnc1 927fcc5590e8e371f561c7c11815d0a2 [0,0,0,0,0,1|2,0,0]=3 134 B13R1.418 CC(C)C(C=O)Nc1cnccn1 577ea51b5cdcaa19c8bb53c29f2fb568 [0,0,0,0,0,1|2,0,0]=3 135 B13R1.418 CC(C)C(C=O)Nc1cncnc1 1f58f405c8e6282be206443553c71842 [0,0,0,0,0,1|2,0,0]=3 136 B13R1.418 CC(C)C(C=O)Nc1cnncn1 9bc58817098c0bbb1e9df805fc4d7188 [0,0,0,0,0,1|3,0,0]=4 137 B13R1.418 CC(C)C(C=O)Nc1ncccn1 f8086312231d6b5a3a2fb386a5cc17ee [0,0,0,0,0,1|2,0,0]=3 138 B13R1.418 CC(C)C(C=O)Nc1nccnn1 a4204d513f42ed8125e92feae7d6603e [0,0,0,0,0,1|3,0,0]=4 139 B13R1.418 CC(C)C(C=O)Nc1ncncn1 cdc31fa4d06f8e7ba73537d356671bc2 [0,0,0,0,0,1|3,0,0]=4 140 B13R1.418 CC(C)C(C=O)Oc1ccccn1 ef0c7cad9d095e57347144a600afefb9 [0,0,0,0,0,1|1,0,0]=2 141 B13R1.418 CC(C)C(C=O)Oc1cccnc1 fd28735f66fabd13512b24e0a20b892f [0,0,0,0,0,1|1,0,0]=2 142 B13R1.418 CC(C)C(C=O)Oc1ccncc1 4a2ba7819520499533d7c3b187c3e73d [0,0,0,0,0,1|1,0,0]=2 143 B13R1.418 CC(C)C(C=O)Oc1ccnnc1 4e2dddb971a88c3934eee2ce7396c04a [0,0,0,0,0,1|2,0,0]=3 144 B13R1.418 CC(C)C(C=O)Oc1cnccn1 e12b4cd5da007bd669bf3bfe9842b4f1 [0,0,0,0,0,1|2,0,0]=3 145 B13R1.418 CC(C)C(C=O)Oc1cncnc1 5f8568d19a8c52a219ce738acd140c6c [0,0,0,0,0,1|2,0,0]=3 146 B13R1.418 CC(C)C(C=O)Oc1cncnn1 6cbbd11109530025d70106fc5cbdef8a [0,0,0,0,0,1|3,0,0]=4 147 B13R1.418 CC(C)C(C=O)Oc1ncccn1 b324a66737f50424afc4f72f8027af4a [0,0,0,0,0,1|2,0,0]=3 148 B13R1.418 CC(C)C(CO)Nc1ccccc1 73e463f108ef27cc3e0a59536982a4f6 [0,0,0,0,0,1|0,0,2]=3 149 B13R1.418 CC(C)C(CO)Nc1ccccn1 62f452e3bce2c64ef5fc4b3072370b80 [0,0,0,0,0,1|1,0,2]=4 150 B13R1.418 CC(C)C(CO)Nc1cccnc1 6e85750628021fd83a88dc7e1b4aed38 [0,0,0,0,0,1|1,0,2]=4 151 B13R1.418 CC(C)C(CO)Nc1ccncc1 28a56fb102855f5b5a42f2a503e1e321 [0,0,0,0,0,1|1,0,2]=4 152 B13R1.418 CC(C)N(C=O)Cc1ccccc1 59fdda873ca35d91d20a94a609f32c50 [0,0,0,0,0,1|1,0,0]=2 153 B13R1.418 CC(C)N(C=O)Cc1ccccn1 3282fa71de785ef5cdba25e605ff6edb [0,0,0,0,0,1|2,0,0]=3 154 B13R1.418 CC(C)N(C=O)Cc1cccnc1 25a6442f0215c8a0acc49d7254813d3f [0,0,0,0,0,1|2,0,0]=3 155 B13R1.418 CC(C)N(C=O)Cc1cncnc1 8d3b4fe08c43818dc5ae30ffdc816781 [0,0,0,0,0,1|3,0,0]=4 156 B13R1.418 CC(C)[C@@H](CO)Nc1ccccc1 621ea11ca58576862a2584e092331c54 [0,0,0,0,0,1|0,0,2]=3 157 B13R1.418 CC(C)[C@@H](CO)Nc1ccccn1 998dba31afcc48a86e74bdb6e57a0ba1 [0,0,0,0,0,1|1,0,2]=4 158 B13R1.418 CC(C)[C@@H](CO)Nc1cccnc1 6854ffc9466404694d3d08e8af55c6d4 [0,0,0,0,0,1|1,0,2]=4 159 B13R1.418 CC(C)[C@@H](CO)Nc1ccncc1 710572d16f565893cffc22ad2bbb9c4c [0,0,0,0,0,1|1,0,2]=4 160 B13R1.418 CC(C)[C@H](CO)Nc1ccccc1 02b885f33a460f2bed1b38bf316a4c7d [0,0,0,0,0,1|0,0,2]=3 161 B13R1.418 CC(C)[C@H](CO)Nc1ccccn1 f921356768b3b2b97b088d8f0a52022d [0,0,0,0,0,1|1,0,2]=4 162 B13R1.418 CC(C)[C@H](CO)Nc1cccnc1 43a3fdac6f94bb17384df51182fa4bce [0,0,0,0,0,1|1,0,2]=4 163 B13R1.418 CC(C)[C@H](CO)Nc1ccncc1 98b804af8b9d2e37f8d9c6e7ca8ac636 [0,0,0,0,0,1|1,0,2]=4 164 B13R1.418 CC(O)C(CO)Nc1ccccc1 1e8f6cb14ca59250c768c5e3d4f668b6 [0,0,0,0,0,1|1,0,2]=4 165 B13R1.418 CCC(Nc1ccccc1)C(C)C a8808ebc56c894f8959c32308259e6bf [0,0,0,0,0,1|1,0,1]=3 166 B13R1.418 CCC(Nc1cccnc1)C(C)C 53c3d599933acf84a5e6136ac0267c7c [0,0,0,0,0,1|2,0,1]=4 167 B13R1.418 CCN(Cc1ccccc1)C(C)C b439275473bd06a8958da1a10f449f1f [0,0,0,0,0,1|2,0,1]=4 168 B13R1.418 CC[C@@H](Nc1ccccc1)[C@@H](C)O 624d8b099abf238aa44189d4ae4ade73 [0,0,0,0,0,1|2,0,1]=4 169 B13R1.418 CC[C@@H](Nc1ccccc1)[C@H](C)O 3a226f44fdf073bf50e1ca90a2c33504 [0,0,0,0,0,1|2,0,1]=4 170 B13R1.418 CC[C@H](Nc1ccccc1)[C@@H](C)O 703f4981104daad6436cb566226f9207 [0,0,0,0,0,1|2,0,1]=4 171 B13R1.418 C[C@@H](O)[C@@H](CO)Nc1ccccc1 adb575db4b41efef86eeb12abd0cd138 [0,0,0,0,0,1|1,0,2]=4 172 B13R1.418 C[C@@H](O)[C@H](CO)Nc1ccccc1 9489798745464d825b193d3eb89f7f13 [0,0,0,0,0,1|1,0,2]=4 173 B13R1.418 C[C@H](O)[C@@H](CO)Nc1ccccc1 905fe62deba64c4b99612c20bacc881b [0,0,0,0,0,1|1,0,2]=4 174 B13R1.418 C[C@H](O)[C@H](CO)Nc1ccccc1 36b07726a774138a212e78077d5bec6f [0,0,0,0,0,1|1,0,2]=4 175 B13R1.713 C#CC(OC(C)C)c1ccccc1 65b6523fa03011b37932b4d97b01b814 [0,0,0,0,0,1|1,0,1]=3 176 B13R1.713 C#CC(OC(C)C)c1ccccn1 45411c743075de418c779cdcde9777af [0,0,0,0,0,1|2,0,1]=4 177 B13R1.713 C#CC(OC(C)C)c1ccncc1 c24f23ec13bbaa7713ad0a67b088ccb3 [0,0,0,0,0,1|2,0,1]=4 178 B13R1.713 C#C[C@@H](OC(C)C)c1ccccc1 65a79cec3b3d9cd654c66d27198ab0ac [0,0,0,0,0,1|1,0,1]=3 179 B13R1.713 C#C[C@H](OC(C)C)c1ccccc1 68ef7b637ee397331239e908c82abbac [0,0,0,0,0,1|1,0,1]=3 180 B13R1.713 C=CC(NC(=O)C)c1ccccc1 5bb063b42c840d7013ecb1423ee42561 [0,0,0,0,0,1|2,0,1]=4 181 B13R1.713 C=CC(NC(C)C)c1ccccc1 4cc23dc2e7da913484f162e19ae48649 [0,0,0,0,0,1|1,0,0]=2 182 B13R1.713 C=CC(OC(C)C)c1ccccc1 4857960945659ab57a7f2afd00cc12a0 [0,0,0,0,0,1|1,0,0]=2 183 B13R1.713 C=C[C@@H](NC(=O)C)c1ccccc1 06a330712eecb774846e09b51cf8bcf6 [0,0,0,0,0,1|2,0,1]=4 184 B13R1.713 C=C[C@@H](NC(C)C)c1ccccc1 5efc10170915f5cc9b25a85efb11b26e [0,0,0,0,0,1|1,0,0]=2 185 B13R1.713 C=C[C@H](NC(=O)C)c1ccccc1 d1024d4aee3b5a479a166e0e048d5f03 [0,0,0,0,0,1|2,0,1]=4 186 B13R1.713 C=C[C@H](NC(C)C)c1ccccc1 9c66b0bbcae37f3953fc1ce6f11c1566 [0,0,0,0,0,1|1,0,0]=2 187 B13R1.713 CC(C)CN(C#N)c1ccccc1 21cc81bc416b8d280f2df86ec5d99dcd [0,0,0,0,0,1|2,0,1]=4 188 B13R1.713 CC(C)NC(C#N)c1ccccc1 5c3187272992e3741ac64180825cb3d3 [0,0,0,0,0,1|1,0,1]=3 189 B13R1.713 CC(C)NC(C#N)c1cccnc1 c1207387b5ee6b6595a1ba2967a61959 [0,0,0,0,0,1|2,0,1]=4 190 B13R1.713 CC(C)NC(CO)c1ccccc1 f7f0b2064527a352b88d8a117cb50314 [0,0,0,0,0,1|0,0,2]=3 191 B13R1.713 CC(C)NC(CO)c1ccccn1 4cd27e8d18e59ecde02179cbdb174c45 [0,0,0,0,0,1|1,0,2]=4 192 B13R1.713 CC(C)NC(CO)c1cccnc1 042e31eeb5c81368a4a30b2324cbeea7 [0,0,0,0,0,1|1,0,2]=4 193 B13R1.713 CC(C)NC(CO)c1ccncc1 7631985e961dbaa2fe27dc58aea95ea4 [0,0,0,0,0,1|1,0,2]=4 194 B13R1.713 CC(C)N[C@@H](CF)c1ccccc1 21e9a6d22217bdae497e12feb931a1f0 [0,0,0,0,0,1|1,0,1]=3 195 B13R1.713 CC(C)N[C@@H](CO)c1ccccc1 6306fa7625bf427066d2cd4dc06e1279 [0,0,0,0,0,1|0,0,2]=3 196 B13R1.713 CC(C)N[C@@H](CO)c1cccnc1 66a0ccc5cc78aaa27f8c3b1688cfce08 [0,0,0,0,0,1|1,0,2]=4 197 B13R1.713 CC(C)N[C@H](CO)c1ccccc1 edd9491e52236d9e8897c3cf81ff54e9 [0,0,0,0,0,1|0,0,2]=3 198 B13R1.713 CC(C)N[C@H](CO)c1cccnc1 3120f95c6795a84e74422ea306d25c3a [0,0,0,0,0,1|1,0,2]=4 199 B13R1.713 CC(C)N[C@H](CO)c1ccncc1 53ee907322437dcb35a33c1b1db12ceb [0,0,0,0,0,1|1,0,2]=4 200 B13R1.713 CC(C)OC(C#N)c1cccnc1 687a317e862f36b0369ed800c246652e [0,0,0,0,0,1|2,0,1]=4 201 B13R1.713 CC(C)OC(C=O)c1ccccc1 355a7c4982edcf5a0ba8a1ae1b147522 [0,0,0,0,0,1|0,0,0]=1 202 B13R1.713 CC(C)OC(CF)c1ccccc1 03ea8247c3bef549e5323aad73c0e9e2 [0,0,0,0,0,1|1,0,1]=3 203 B13R1.713 CC(C)O[C@H](CF)c1ccccc1 43ec51a283e680ab66757e5360eee212 [0,0,0,0,0,1|1,0,1]=3 204 B13R1.713 CCC(NC(C)C)c1ccccc1 678ffab07e2c862b09480e42d5c62f0b [0,0,0,0,0,1|1,0,1]=3 205 B13R1.713 CCC(NC(C)C)c1ccccn1 ad43351d076a9789dc8f37def35e0e93 [0,0,0,0,0,1|2,0,1]=4 206 B13R1.713 CCC(NC(C)C)c1cccnc1 5e050e026668b40c2c5fbc8651e424ad [0,0,0,0,0,1|2,0,1]=4 207 B13R1.713 CCC(NC(C)C)c1ccncc1 49b73da6387443931b3e33d3cd15ecb4 [0,0,0,0,0,1|2,0,1]=4 208 B13R1.713 CCC(OC(C)C)c1ccccc1 24bcd37e5706ce8532e06856db5b06fd [0,0,0,0,0,1|1,0,1]=3 209 B13R1.713 CCN(CC(C)C)c1ccccc1 c56ade63abb7331b2d896446534fb57e [0,0,0,0,0,1|2,0,1]=4 210 B13R1.713 CC[C@@H](NC(C)C)c1ccccc1 9588b9e4a1b27c4e5eca895799854d2b [0,0,0,0,0,1|1,0,1]=3 211 B13R1.713 CC[C@@H](NC(C)C)c1ccccn1 27391f87c0b4ac389f38cd8efc85e67f [0,0,0,0,0,1|2,0,1]=4 212 B13R1.713 CC[C@@H](OC(C)C)c1ccccc1 9f269c7a31a314929ac7b227fcb61d60 [0,0,0,0,0,1|1,0,1]=3 213 B13R1.713 CC[C@H](NC(C)C)c1ccccc1 99c4bf6e064840cc67e52a3c4d7765f0 [0,0,0,0,0,1|1,0,1]=3 214 B13R1.713 CC[C@H](NC(C)C)c1ccccn1 86b61638b87b315c2282ee39a62d1b05 [0,0,0,0,0,1|2,0,1]=4 215 B13R1.713 CC[C@H](NC(C)C)c1ccncc1 b86a2c88a9603b8228caf8570189eb9b [0,0,0,0,0,1|2,0,1]=4 216 B13R1.713 CC[C@H](OC(C)C)c1ccccc1 aec7232310e4a007d528dd1069053632 [0,0,0,0,0,1|1,0,1]=3 217 B13R1.713 C[C@@H](O)CN(C=O)c1ccccc1 94b821f978f07f83231d214ed7a9ca05 [0,0,0,0,0,1|2,0,0]=3 218 B10R1.15 CCN(C)c1ccccc1 9cc6568b1f30abe04427bdea858da30e [2,0,0,0,0,0|1,0,1]=4 219 B10R1.15 CN(C=O)c1ccccn1 48011329103c524c4b63577b588cdb27 [2,0,0,0,0,0|2,0,0]=4 220 B10R1.15 CN(C=O)c1cccnc1 c200b85f739a703bfa35217d599e46e7 [2,0,0,0,0,0|2,0,0]=4 221 B10R1.15 CN(C=O)c1ccncc1 9cc48dd486f2ee4c03255d677df658bd [2,0,0,0,0,0|2,0,0]=4 222 B10R1.18 CC(C)Nc1ccccc1 678b2595d663b993cd638fb4df86366a [2,0,0,0,0,0|1,0,0]=3 223 B10R1.18 CC(C)Nc1ccccn1 8f41ba2831fdc97ef841b17526dcf604 [2,0,0,0,0,0|2,0,0]=4 224 B10R1.18 CC(C)Nc1cccnc1 b32b013363863cea153240b96e97c19f [2,0,0,0,0,0|2,0,0]=4 225 B10R1.18 CC(C)Nc1ccncc1 ed919cf6533ea85c87fe5a974cf5c4b4 [2,0,0,0,0,0|2,0,0]=4 226 B10R1.18 CC(C)Oc1ccccn1 0855bdc27823287e98107cda25a8e4de [2,0,0,0,0,0|2,0,0]=4 227 B10R1.18 CC(C)Oc1cccnc1 2d5fbf8b6573bcaaa6ad1437daf348fa [2,0,0,0,0,0|2,0,0]=4 228 B10R1.18 CC(C)Oc1ccncc1 fcbd1de824cfd0b7040632344868de57 [2,0,0,0,0,0|2,0,0]=4 229 B12R0.549 C=CCN(CC=C)C(C=O)C(C)C 03eee74232610c0caca48a6f18b57578 [0,1,1,0,0,0|1,0,1]=4 230 B12R0.201 C/C=C/C=C/COC(C=O)C(C)C 6524e16dbab8b999f82567e2a7609928 [0,1,1,0,0,0|0,0,2]=4 231 B12R0.201 C=C/C=C/CCNC(C=O)C(C)C eddb1ee9796215e4e6dd5ee29774a522 [0,1,1,0,0,0|0,0,2]=4 232 B12R0.201 CC=CC=CCOC(C=O)C(C)C 66021a8e0ab72af8744ca162772b19a3 [0,1,1,0,0,0|0,0,2]=4 233 B12R1.3 C#CC(OCC)c1ccccc1 c9e222a07b1334c71e039de024517831 [1,1,0,0,0,0|1,0,1]=4 234 B12R1.3 C#CCN(C=O)c1ccccc1 3fee30dff0acf9a3944a99cb8d7dc91b [1,1,0,0,0,0|1,0,1]=4 235 B12R1.3 C#C[C@@H](OCC)c1ccccc1 ab36c1d59184fd317cb3013d853a5671 [1,1,0,0,0,0|1,0,1]=4 236 B12R1.3 C#C[C@H](OCC)c1ccccc1 1101319a2e49d14a6eed62e76a43a592 [1,1,0,0,0,0|1,0,1]=4 237 B12R1.3 C=CC(NC=O)c1ccccc1 39101a1d68dfb83652c8516ebaadcdea [1,1,0,0,0,0|0,0,2]=4 238 B12R1.3 C=CC(NCC)c1ccccc1 7683e9d7b82c3281238f04ed1a75e97e [1,1,0,0,0,0|1,0,0]=3 239 B12R1.3 C=CC(NCF)c1ccccc1 10ae09b5ad9c11712c1e0d307f5d7811 [1,1,0,0,0,0|2,0,0]=4 240 B12R1.3 C=CC(NCO)c1ccccc1 059bf4cd23c9defe529348afd9ac29e4 [1,1,0,0,0,0|2,0,0]=4 241 B12R1.3 C=CC(OCC)c1ccccc1 6bde42162b5d4c427a68bf4a10c8d095 [1,1,0,0,0,0|1,0,0]=3 242 B12R1.3 C=CC(OCF)c1ccccc1 5f73c1e6e0711249ad6cf93a7f337460 [1,1,0,0,0,0|2,0,0]=4 243 B12R1.3 C=CCN(CC)c1ccccc1 2bf94e98a6e871d2b0d4e7e5382e5a7a [1,1,0,0,0,0|2,0,0]=4 244 B12R1.3 C=C[C@@H](NC=O)c1ccccc1 2ecd6af102532c50616c1dfa6b247a68 [1,1,0,0,0,0|0,0,2]=4 245 B12R1.3 C=C[C@@H](NCC)c1ccccc1 ce0bccab84f78d550cd5d29e0af99881 [1,1,0,0,0,0|1,0,0]=3 246 B12R1.3 C=C[C@@H](NCF)c1ccccc1 87007f2d58a77127e300760fa39eaa08 [1,1,0,0,0,0|2,0,0]=4 247 B12R1.3 C=C[C@@H](NCO)c1ccccc1 0443a692877053ff1e1a5a26e535fa7f [1,1,0,0,0,0|2,0,0]=4 248 B12R1.3 C=C[C@H](NC=O)c1ccccc1 bb17988a70696eca8efb8f24034ca3c6 [1,1,0,0,0,0|0,0,2]=4 249 B12R1.3 C=C[C@H](NCC)c1ccccc1 378688aa1f70c0c46a994c0dd710e214 [1,1,0,0,0,0|1,0,0]=3 250 B12R1.3 C=C[C@H](NCF)c1ccccc1 4fe754d8498c752ef4b3c99157f3177d [1,1,0,0,0,0|2,0,0]=4 251 B12R1.3 C=C[C@H](NCO)c1ccccc1 971121604f82db695e04bc0173604a06 [1,1,0,0,0,0|2,0,0]=4 252 B12R1.3 CCC(NC#N)c1ccccc1 0a2ef7e390ad9e10cb2f8cc5101ed59a [1,1,0,0,0,0|1,0,1]=4 253 B12R1.3 CCC(NC=O)c1ccccc1 f35c5a1e32ab8921cb0fd5e08b4f1f33 [1,1,0,0,0,0|0,0,0]=2 254 B12R1.3 CCC(NC=O)c1ccccn1 6272c75f1bbad2ca3d2c655b19fffda8 [1,1,0,0,0,0|1,0,0]=3 255 B12R1.3 CCC(NC=O)c1cccnc1 87d0fe1dfb10c405e4ac398b90932d21 [1,1,0,0,0,0|1,0,0]=3 256 B12R1.3 CCC(NC=O)c1ccncc1 74d90ea3e225747ca3f33c9b625aca75 [1,1,0,0,0,0|1,0,0]=3 257 B12R1.3 CCC(NC=O)c1cnccn1 d026308658299090587fea39cc85998d [1,1,0,0,0,0|2,0,0]=4 258 B12R1.3 CCC(NC=O)c1ncccn1 e92bb2b069ce4936e914d88595579fa7 [1,1,0,0,0,0|2,0,0]=4 259 B12R1.3 CCC(NCF)c1ccccc1 ed86f14698723f0d42b213b4b8bf0e21 [1,1,0,0,0,0|1,0,1]=4 260 B12R1.3 CCC(NCO)c1ccccc1 162ffd02e2794d38a2def38bde94ce3c [1,1,0,0,0,0|0,0,2]=4 261 B12R1.3 CCC(OCF)c1ccccc1 5b485d5efcd72f947d8121a70246c978 [1,1,0,0,0,0|1,0,1]=4 262 B12R1.3 CCCN(C=O)c1ccccc1 dd84a45c645f807d0c332ade8b13b5fc [1,1,0,0,0,0|1,0,0]=3 263 B12R1.3 CCN(CC=O)c1ccccc1 009c4a484e3ac4577aa247993a08c21a [1,1,0,0,0,0|1,0,0]=3 264 B12R1.3 CCN(CC=O)c1ccccn1 18b465d305577e43aa1e5dcf896670aa [1,1,0,0,0,0|2,0,0]=4 265 B12R1.3 CCN(CC=O)c1cccnc1 32efd6c0b5b0d40666e6f1dc4fc0b878 [1,1,0,0,0,0|2,0,0]=4 266 B12R1.3 CCN(CC=O)c1ccncc1 ff1640b3efef8260d87a381b97091d7a [1,1,0,0,0,0|2,0,0]=4 267 B12R1.3 CCNC(C#N)c1ccccc1 9c3c1340c48a32c7b7c4df075ca3e927 [1,1,0,0,0,0|1,0,1]=4 268 B12R1.3 CCNC(CC)c1ccccc1 545af735d01bd949c3ac8c0f705df1c5 [1,1,0,0,0,0|1,0,1]=4 269 B12R1.3 CCNC(CO)c1ccccc1 614d7335d28e1b76b7f75c607857ca9e [1,1,0,0,0,0|0,0,2]=4 270 B12R1.3 CCN[C@@H](CC)c1ccccc1 04d3b6bff3d1780d8e4393fe160a01a5 [1,1,0,0,0,0|1,0,1]=4 271 B12R1.3 CCN[C@@H](CF)c1ccccc1 ab49fd1b2fc91a1fdd527edfe33c19df [1,1,0,0,0,0|1,0,1]=4 272 B12R1.3 CCN[C@@H](CO)c1ccccc1 9d47715e51326d3f123529a31c888612 [1,1,0,0,0,0|0,0,2]=4 273 B12R1.3 CCN[C@H](CC)c1ccccc1 caae78d6c102af5eac580f83fa54bc70 [1,1,0,0,0,0|1,0,1]=4 274 B12R1.3 CCN[C@H](CO)c1ccccc1 73c9e00984005addb2e89adfbc35e5fb [1,1,0,0,0,0|0,0,2]=4 275 B12R1.3 CCOC(C#N)c1ccccc1 805d27e9f4caf999dbaee63bd249473f [1,1,0,0,0,0|1,0,1]=4 276 B12R1.3 CCOC(CC)c1ccccc1 1d12b3cd8d8b35a196d78ca3c83b16b1 [1,1,0,0,0,0|1,0,1]=4 277 B12R1.3 CCOC(CF)c1ccccc1 bb8f7d948231fd3c336c5958e3d5f3d1 [1,1,0,0,0,0|1,0,1]=4 278 B12R1.3 CCO[C@@H](C#N)c1ccccc1 f112c502298ec98341142ef676ad95e1 [1,1,0,0,0,0|1,0,1]=4 279 B12R1.3 CCO[C@@H](CC)c1ccccc1 ff776a615b7682f9fc21ac29a916a75c [1,1,0,0,0,0|1,0,1]=4 280 B12R1.3 CCO[C@H](CC)c1ccccc1 126bf67ce7412ce4ee019181c066a374 [1,1,0,0,0,0|1,0,1]=4 281 B12R1.3 CCO[C@H](CF)c1ccccc1 7dd160e9e223f7bf78a48ff1b17e143c [1,1,0,0,0,0|1,0,1]=4 282 B12R1.3 CC[C@@H](NC=O)c1ccccc1 ebbf73246fa5e055d14598ff73ee74b9 [1,1,0,0,0,0|0,0,0]=2 283 B12R1.3 CC[C@@H](NC=O)c1ccccn1 d188ab4b3f12b054c0fc5e82fc46ec26 [1,1,0,0,0,0|1,0,0]=3 284 B12R1.3 CC[C@@H](NCF)c1ccccc1 6f08188177f28f633cba50330514db2e [1,1,0,0,0,0|1,0,1]=4 285 B12R1.3 CC[C@@H](NCO)c1ccccc1 5d84ee4f86f004e922a53c121ca41963 [1,1,0,0,0,0|0,0,2]=4 286 B12R1.3 CC[C@@H](OCF)c1ccccc1 307e9d28b5193485842cb584d1b5a35a [1,1,0,0,0,0|1,0,1]=4 287 B12R1.3 CC[C@H](NC=O)c1ccccc1 5b95454d2846027c7fee198531e3fbcd [1,1,0,0,0,0|0,0,0]=2 288 B12R1.3 CC[C@H](NC=O)c1ccccn1 d55d33547e9d8ffcccd0a9a7b006993e [1,1,0,0,0,0|1,0,0]=3 289 B12R1.3 CC[C@H](NC=O)c1ccncc1 398e2a927c5757953e0464c5541e459b [1,1,0,0,0,0|1,0,0]=3 290 B12R1.3 CC[C@H](NCF)c1ccccc1 95804ae7f36e32213ebe989b5cd16cd1 [1,1,0,0,0,0|1,0,1]=4 291 B12R1.3 CC[C@H](NCO)c1ccccc1 d12bfbd0d9ffd6d724b18eeafaa4d3ef [1,1,0,0,0,0|0,0,2]=4 292 B12R1.3 CC[C@H](OCF)c1ccccc1 ee9c70fcb8cc52ab67267daa0fab1c73 [1,1,0,0,0,0|1,0,1]=4 293 B12R1.3 N#CCN(C=O)c1ccccc1 506cbb3c502ce9098fc169fcf1b07da2 [1,1,0,0,0,0|1,0,1]=4 294 B12R1.3 N#CNC(C=O)c1ccccc1 40cb884640f231bf51d3c969f91cc21b [1,1,0,0,0,0|1,0,1]=4 295 B12R1.3 O=CN(CCF)c1ccccc1 cecc898c90ae32628e1e22021418ffd8 [1,1,0,0,0,0|1,0,0]=3 296 B12R1.3 O=CN(CCO)c1ccccc1 2cfbca70005c73b7e0b1c55ae8b1e4cf [1,1,0,0,0,0|1,0,0]=3 297 B12R1.3 O=CN(CCO)c1ccccn1 fd4af6075fda05ac6ba4cf6dcc6f641d [1,1,0,0,0,0|2,0,0]=4 298 B12R1.3 O=CN(CCO)c1ccncc1 a46d4180101fea18f1923cd95ba425a2 [1,1,0,0,0,0|2,0,0]=4 299 B12R1.3 O=CNC(CO)c1ccccc1 eab85ec6bc58124fc0a34b21c2ead22e [1,1,0,0,0,0|1,0,0]=3 300 B12R1.3 O=CNC(CO)c1ccccn1 fbd22d97b5494f4f225fe30e76edec70 [1,1,0,0,0,0|2,0,0]=4 301 B12R1.3 O=CNC(CO)c1cccnc1 f7cecbb2ce6918c198617bc640b3e8ac [1,1,0,0,0,0|2,0,0]=4 302 B12R1.3 O=CNC(CO)c1ccncc1 14e50a22c6f6cf9f488f7c5e7e3535de [1,1,0,0,0,0|2,0,0]=4 303 B12R1.3 O=CN[C@@H](CF)c1ccccc1 0ff261ab74fd1bb17f257b9fa0c61993 [1,1,0,0,0,0|1,0,0]=3 304 B12R1.3 O=CN[C@@H](CO)c1ccccc1 2914095b931483c8867faf13c06219d2 [1,1,0,0,0,0|1,0,0]=3 305 B12R1.3 O=CN[C@@H](CO)c1cccnc1 87955398e26b15fe097212ea25fdcf53 [1,1,0,0,0,0|2,0,0]=4 306 B12R1.3 O=CN[C@H](CO)c1ccccc1 5b2542d815db0af521344638e8200526 [1,1,0,0,0,0|1,0,0]=3 307 B12R1.3 O=CN[C@H](CO)c1cccnc1 1b7cf5c72aead080f79a3b345be45758 [1,1,0,0,0,0|2,0,0]=4 308 B12R1.3 O=CN[C@H](CO)c1ccncc1 4b9668cf5c04c8100304b797f7badf43 [1,1,0,0,0,0|2,0,0]=4 309 B12R1.12 CCN(C=O)c1ccc(cc1)Br a298ab7cad35aa1ec2d94ab133616023 [1,1,0,0,0,0|1,0,0]=3 310 B12R1.12 CCN(C=O)c1ccc(cc1)C eaf836ea6b842ec93e8182af29d7c16a [1,1,0,0,0,0|1,0,0]=3 311 B12R1.12 CCN(C=O)c1ccc(cc1)Cl 6d7f2c41f258ac2893043fece93c0214 [1,1,0,0,0,0|1,0,0]=3 312 B12R1.12 CCN(C=O)c1ccc(cc1)F 2859b23023e695a7ae2c4fbb44ca5434 [1,1,0,0,0,0|1,0,0]=3 313 B12R1.12 CCN(C=O)c1ccc(cc1)O d72c28d8849a639167bd91dd366b00c8 [1,1,0,0,0,0|1,0,0]=3 314 B12R1.12 CCN(C=O)c1ccc(cn1)Br 5295a889084867f50d4aef413e6dc10c [1,1,0,0,0,0|2,0,0]=4 315 B12R1.12 CCN(C=O)c1ccc(nc1)Cl 48fcda4929c59588e8145c50ca40ef85 [1,1,0,0,0,0|2,0,0]=4 316 B12R1.13 CCN(C=O)c1cc(ccn1)C 199ffa12ba50927111b3e8c7cd3c38eb [1,1,0,0,0,0|2,0,0]=4 317 B12R1.13 CCN(C=O)c1cc(ccn1)Cl 69261c6160b764d455aaee67ed5690c3 [1,1,0,0,0,0|2,0,0]=4 318 B12R1.13 CCN(C=O)c1cccc(c1)Br b09102eb19d6ee0066ff9da9f16802ad [1,1,0,0,0,0|1,0,0]=3 319 B12R1.13 CCN(C=O)c1cccc(c1)C 66edc5dcca08cc518c8d4208c202e614 [1,1,0,0,0,0|1,0,0]=3 320 B12R1.13 CCN(C=O)c1cccc(c1)Cl f1280dfd687af0662c8c7fc9e5804186 [1,1,0,0,0,0|1,0,0]=3 321 B12R1.13 CCN(C=O)c1cccc(c1)F ad8cef72c1f5d6136c2febaf674d8a33 [1,1,0,0,0,0|1,0,0]=3 322 B12R1.13 CCN(C=O)c1cccc(c1)O c24e9df2171a902944c8ed7e8a9c39cb [1,1,0,0,0,0|1,0,0]=3 323 B12R1.13 CCN(C=O)c1cccc(n1)C d4685679c9a85f117a8010e0c1e9ea6f [1,1,0,0,0,0|2,0,0]=4 324 B12R1.243 CCN(C=O)c1ccccc1Br 73f4c91f77b803e18289ea62f9f13e02 [1,1,0,0,0,0|1,0,0]=3 325 B12R1.243 CCN(C=O)c1ccccc1C 501349ea0d18ad0cf5fb9654d3271030 [1,1,0,0,0,0|1,0,0]=3 326 B12R1.243 CCN(C=O)c1ccccc1Cl fb9903b4c38df435792122a814bcd691 [1,1,0,0,0,0|1,0,0]=3 327 B12R1.243 CCN(C=O)c1ccccc1F c4fad30ba83c3c1c333ea47b8f9f6366 [1,1,0,0,0,0|1,0,0]=3 328 B12R1.243 CCN(C=O)c1ccccc1O 816b767689b3d33145efa1da1f0cf5f3 [1,1,0,0,0,0|1,0,0]=3 329 B12R1.243 CCN(C=O)c1ncccc1Br edbaa2f0c790e6974e7e02bde8909fd8 [1,1,0,0,0,0|2,0,0]=4 330 B12R1.20 CC(C)N(C)c1ccc(cc1)S 724cc7d86a6eca1c3614ec86435eba77 [1,1,0,0,0,0|1,0,1]=4 331 B12R1.34 CC(CO)N(C)c1ccccc1 a7ee7abf471efad76d65ff005aacf1dd [1,1,0,0,0,0|1,0,1]=4 332 B12R1.34 CCN(C)C(=O)c1ccccc1 ec42892db6b620c971271a983914a3d4 [1,1,0,0,0,0|1,0,1]=4 333 B12R1.34 C[C@@H](CO)N(C)c1ccccc1 96b24e6691fa0d3459c276c6ca2c2615 [1,1,0,0,0,0|1,0,1]=4 334 B12R1.34 C[C@H](CO)N(C)c1ccccc1 a37c707a1c025793f08fdf6588fbc88b [1,1,0,0,0,0|1,0,1]=4 335 B12R1.225 CC(C)N(C)c1cccc(c1)Br 404c236cddda68afae2a72dcb1e91c48 [1,1,0,0,0,0|1,0,1]=4 336 B12R1.225 CC(C)N(C)c1cccc(c1)I 4d85a7a31cabd784005d5d22697530e3 [1,1,0,0,0,0|1,0,1]=4 337 B12R1.564 CN(c1ccccc1)C(C)(C)C e80532fb4161df898c2fab27c7c13676 [1,1,0,0,0,0|1,0,1]=4 338 B12R1.295 CC(C)C(NC=O)c1nccs1 e47ba35d607f099a82307b2b2dc6e468 [0,1,0,0,1,0|2,0,0]=4 339 B14R1.536 CC(C)C(C=O)Nc1ccc(=O)[nH]c1 a8a29222f2204030a57b97908b395e46 [0,1,0,0,0,1|1,0,0]=3 340 B14R1.536 CC(C)C(C=O)Nc1ccc(cc1)Br 091853f3754bcee4d97b56f1c4a11ab0 [0,1,0,0,0,1|0,0,0]=2 341 B14R1.536 CC(C)C(C=O)Nc1ccc(cc1)Cl 55f7288f1e4f89cfb4c83a429024ef3b [0,1,0,0,0,1|0,0,0]=2 342 B14R1.536 CC(C)C(C=O)Nc1ccc(cc1)F 5854391003fe6b88e5bc39d89c5d52f8 [0,1,0,0,0,1|0,0,0]=2 343 B14R1.536 CC(C)C(C=O)Nc1ccc(cc1)I 79227dbd973e4ac8d57ba26318d52b55 [0,1,0,0,0,1|0,0,0]=2 344 B14R1.536 CC(C)C(C=O)Nc1ccc(cc1)S 624b296a7a2320594b3a9e5fd76895ca [0,1,0,0,0,1|0,0,0]=2 345 B14R1.536 CC(C)C(C=O)Nc1ccc(cn1)Br f44f711bf8e053ad3e7867d53243ead9 [0,1,0,0,0,1|1,0,0]=3 346 B14R1.536 CC(C)C(C=O)Nc1ccc(cn1)Cl e765669164fc3aeb443baf224ab86f80 [0,1,0,0,0,1|1,0,0]=3 347 B14R1.536 CC(C)C(C=O)Nc1ccc(cn1)F 18ae360f6bc27167cc6889d9802ce3f6 [0,1,0,0,0,1|1,0,0]=3 348 B14R1.536 CC(C)C(C=O)Nc1ccc(cn1)I 33bd1bd79a4465dc381dc606612ea31c [0,1,0,0,0,1|1,0,0]=3 349 B14R1.536 CC(C)C(C=O)Nc1ccc(nc1)Br 77d516152e4b062698d7a49668f0e434 [0,1,0,0,0,1|1,0,0]=3 350 B14R1.536 CC(C)C(C=O)Nc1ccc(nc1)Cl 00cbfb80a22a76c89757ee03741f7711 [0,1,0,0,0,1|1,0,0]=3 351 B14R1.536 CC(C)C(C=O)Nc1ccc(nc1)F b86c4ac7866c3cf69d7f51b81bf15496 [0,1,0,0,0,1|1,0,0]=3 352 B14R1.536 CC(C)C(C=O)Nc1ccc(nc1)I 96bc901a5ce3906abf02b83c7ee1acdb [0,1,0,0,0,1|1,0,0]=3 353 B14R1.536 CC(C)C(C=O)Nc1ccc(nn1)Br f60d734b9824869c75d56c4f978b46b7 [0,1,0,0,0,1|2,0,0]=4 354 B14R1.536 CC(C)C(C=O)Nc1ccc(nn1)Cl de8d20c207f4dd259176ef6f1e364c74 [0,1,0,0,0,1|2,0,0]=4 355 B14R1.536 CC(C)C(C=O)Nc1ccc(nn1)F 699e7bb97ab1bd57eb08055f4a12abab [0,1,0,0,0,1|2,0,0]=4 356 B14R1.536 CC(C)C(C=O)Nc1ccc(nn1)I 22987264e8a289599cae3e642e8e702d [0,1,0,0,0,1|2,0,0]=4 357 B14R1.536 CC(C)C(C=O)Nc1cnc(=O)[nH]c1 dfa59ed8e5cca7a737b40d712e85c463 [0,1,0,0,0,1|2,0,0]=4 358 B14R1.536 CC(C)C(C=O)Nc1cnc(cn1)Br a158960467a4f60a22d0912ef9596703 [0,1,0,0,0,1|2,0,0]=4 359 B14R1.536 CC(C)C(C=O)Nc1cnc(cn1)Cl 1a2fbcbf342e436810719bf6bbf2ebd7 [0,1,0,0,0,1|2,0,0]=4 360 B14R1.536 CC(C)C(C=O)Nc1cnc(cn1)I dadc6e02a311dd3d85c85bcb8cb6819b [0,1,0,0,0,1|2,0,0]=4 361 B14R1.536 CC(C)C(C=O)Nc1cnc(nc1)Br 48178f21ce19d604cd10bfccf386a243 [0,1,0,0,0,1|2,0,0]=4 362 B14R1.536 CC(C)C(C=O)Nc1cnc(nc1)Cl 94ef25ad299a02d1a0aeffbf2331346d [0,1,0,0,0,1|2,0,0]=4 363 B14R1.536 CC(C)C(C=O)Nc1cnc(nc1)I 3527e30401e08c1fca042e2423b37abf [0,1,0,0,0,1|2,0,0]=4 364 B14R1.536 CC(C)C(C=O)Nc1ncc(cn1)Br c234264365e662064ca4657521678be2 [0,1,0,0,0,1|2,0,0]=4 365 B14R1.536 CC(C)C(C=O)Nc1ncc(cn1)Cl 6e6cdb44436c8cfbd089718b015cbdea [0,1,0,0,0,1|2,0,0]=4 366 B14R1.536 CC(C)C(C=O)Nc1ncc(cn1)F 5ff387848dac1bb4622f94899781aad4 [0,1,0,0,0,1|2,0,0]=4 367 B14R1.536 CC(C)C(C=O)Nc1ncc(cn1)I 7f2be5e63b2f8fd9b1b466885756570f [0,1,0,0,0,1|2,0,0]=4 368 B14R1.536 CC(C)C(C=O)Oc1ccc(cc1)Br 847c3f86523f965afbd0eeb6d06a34b6 [0,1,0,0,0,1|0,0,0]=2 369 B14R1.536 CC(C)C(C=O)Oc1ccc(cc1)Cl ef55141b276472a81024f1e0aac6e973 [0,1,0,0,0,1|0,0,0]=2 370 B14R1.536 CC(C)C(C=O)Oc1ccc(cc1)F cdf7a93f342bfea01ee64d37d9cf7c8a [0,1,0,0,0,1|0,0,0]=2 371 B14R1.536 CC(C)C(C=O)Oc1ccc(cc1)I 7ac2d020db346b5b48b7afabb443eacc [0,1,0,0,0,1|0,0,0]=2 372 B14R1.536 CC(C)C(C=O)Oc1ccc(cc1)S e461b813daaf3bad467ef327e29cf7fd [0,1,0,0,0,1|0,0,0]=2 373 B14R1.536 CC(C)C(C=O)Oc1ccc(cn1)Cl 36882b63fbd332d81f9b59a13a8aa750 [0,1,0,0,0,1|1,0,0]=3 374 B14R1.536 CC(C)C(C=O)Oc1ccc(cn1)F a4a7f29e2536f2249e47a344191a6b32 [0,1,0,0,0,1|1,0,0]=3 375 B14R1.536 CC(C)C(C=O)Oc1ccc(cn1)I 0b6fcce05ca1f7d10612de9ecd7215fe [0,1,0,0,0,1|1,0,0]=3 376 B14R1.536 CC(C)C(C=O)Oc1ccc(nc1)Br e3d708053e9d23638f9e9c315e77cb92 [0,1,0,0,0,1|1,0,0]=3 377 B14R1.536 CC(C)C(C=O)Oc1ccc(nc1)Cl f600a0d6fe90aa1453c019a2dde3721e [0,1,0,0,0,1|1,0,0]=3 378 B14R1.536 CC(C)C(C=O)Oc1ccc(nc1)F cddf44e9cafb6bf2ce6e89a738dd4628 [0,1,0,0,0,1|1,0,0]=3 379 B14R1.536 CC(C)C(C=O)Oc1ccc(nc1)I 095daa3481465987202b9b204efcb4bb [0,1,0,0,0,1|1,0,0]=3 380 B14R1.536 CC(C)C(C=O)Oc1ccc(nn1)Br 1da26831768366d57d2210eb6cd41e59 [0,1,0,0,0,1|2,0,0]=4 381 B14R1.536 CC(C)C(C=O)Oc1ccc(nn1)Cl c0f285c6ea2921d4bb518e1d6f1b7453 [0,1,0,0,0,1|2,0,0]=4 382 B14R1.536 CC(C)C(C=O)Oc1cnc(cn1)Br 2e8e04c8fed1ca3c77a7e886a017b605 [0,1,0,0,0,1|2,0,0]=4 383 B14R1.536 CC(C)C(C=O)Oc1cnc(cn1)Cl 5c61a86cc41f2ce4265f3ba08fa98c84 [0,1,0,0,0,1|2,0,0]=4 384 B14R1.536 CC(C)C(C=O)Oc1cnc(cn1)I 27256bdc130d6b880ba1d0d05035befc [0,1,0,0,0,1|2,0,0]=4 385 B14R1.536 CC(C)C(C=O)Oc1cnc(nc1)Br 232bb8767335515739bda2dcaae20362 [0,1,0,0,0,1|2,0,0]=4 386 B14R1.536 CC(C)C(C=O)Oc1cnc(nc1)Cl 19aedbcfc937c1b1518ba5b274c9d323 [0,1,0,0,0,1|2,0,0]=4 387 B14R1.536 CC(C)C(C=O)Oc1ncc(cn1)Br 2f4f770b6666fc5e7fec2d509776c82f [0,1,0,0,0,1|2,0,0]=4 388 B14R1.536 CC(C)C(C=O)Oc1ncc(cn1)F 8189605aba1a98a5fb31143d442c3aaf [0,1,0,0,0,1|2,0,0]=4 389 B14R1.536 CC(C)C(C=O)Oc1ncc(cn1)I 851afbdefbc01b1a8dc3d64028874183 [0,1,0,0,0,1|2,0,0]=4 390 B14R1.536 CC(C)C(CO)Nc1ccc(cc1)S 53edd067266c627bf160118622d85956 [0,1,0,0,0,1|0,0,2]=4 391 B14R1.536 CC(C)N(C=O)Cc1ccc(cc1)Br f760e8f76427bee54f6c6a8a0a0057e5 [0,1,0,0,0,1|1,0,0]=3 392 B14R1.536 CC(C)N(C=O)Cc1ccc(cc1)Cl d1ed987e19e9d90af6fd3fa9ba8d6b57 [0,1,0,0,0,1|1,0,0]=3 393 B14R1.536 CC(C)N(C=O)Cc1ccc(cc1)F f2220ad80e6df415ebf4e502cbdb1f56 [0,1,0,0,0,1|1,0,0]=3 394 B14R1.536 CC(C)N(C=O)Cc1ccc(cn1)Br 1d9e48a329758f583983bc5dee39cc5b [0,1,0,0,0,1|2,0,0]=4 395 B14R1.536 CC(C)[C@@H](CO)Nc1ccc(cc1)S 958663c8b1f5754fdd4b7ab4af7e3f4c [0,1,0,0,0,1|0,0,2]=4 396 B14R1.536 CC(C)[C@H](CO)Nc1ccc(cc1)S 1239f18ba03783610a0f917ca20abae6 [0,1,0,0,0,1|0,0,2]=4 397 B14R1.536 CCC(Nc1ccc(cc1)S)C(C)C ea2ed078eec54f92db49de79de16da35 [0,1,0,0,0,1|1,0,1]=4 398 B14R1.536 Cc1ccc(cc1)CN(C=O)C(C)C 1aca3eaca0b52775772b8e91d318ac40 [0,1,0,0,0,1|1,0,0]=3 399 B14R1.536 Cc1ccc(cc1)NC(C=O)C(C)C 2adbfd2be0ee9cbf03da69df2fac3223 [0,1,0,0,0,1|0,0,0]=2 400 B14R1.536 Cc1ccc(cc1)NC(CO)C(C)C 5b9d492992712bfb72eab2659e0757cb [0,1,0,0,0,1|0,0,2]=4 401 B14R1.536 Cc1ccc(cc1)N[C@@H](CO)C(C)C a78970caf11e2ad67cc7e156f73941e6 [0,1,0,0,0,1|0,0,2]=4 402 B14R1.536 Cc1ccc(cc1)N[C@H](CO)C(C)C 41074af2f96bf21874e29af5630559b3 [0,1,0,0,0,1|0,0,2]=4 403 B14R1.536 Cc1ccc(cc1)OC(C=O)C(C)C 3f7dd94a2f293e53493b36bbea836d34 [0,1,0,0,0,1|0,0,0]=2 404 B14R1.536 Cc1ccc(cn1)CN(C=O)C(C)C 779c1ad73b98c945ecec558b8048214f [0,1,0,0,0,1|2,0,0]=4 405 B14R1.536 Cc1ccc(cn1)NC(C=O)C(C)C afed21b185ae446243d8e1ac1a818d8c [0,1,0,0,0,1|1,0,0]=3 406 B14R1.536 Cc1ccc(cn1)OC(C=O)C(C)C bea0122c791dea57eac929986228914e [0,1,0,0,0,1|1,0,0]=3 407 B14R1.536 Cc1ccc(nc1)NC(C=O)C(C)C 6288497bfdd379a0aa349eeaf5b118d8 [0,1,0,0,0,1|1,0,0]=3 408 B14R1.536 Cc1ccc(nc1)OC(C=O)C(C)C dfb8a7c3fbd54b9950aa88fc00241f4e [0,1,0,0,0,1|1,0,0]=3 409 B14R1.536 Cc1ccc(nn1)NC(C=O)C(C)C 9da73211b56e528a6b3cffe9bd2fb6e4 [0,1,0,0,0,1|2,0,0]=4 410 B14R1.536 Cc1ccc(nn1)OC(C=O)C(C)C e814ae437dd93c5ad6d7d9a1372f297a [0,1,0,0,0,1|2,0,0]=4 411 B14R1.536 Cc1cnc(cn1)NC(C=O)C(C)C 279b1b7c51f9ed9804bacd6d1aab6d33 [0,1,0,0,0,1|2,0,0]=4 412 B14R1.536 Cc1cnc(cn1)OC(C=O)C(C)C 824da7b4a69bd6a5afb41be7a06818da [0,1,0,0,0,1|2,0,0]=4 413 B14R1.536 Cc1cnc(nc1)NC(C=O)C(C)C be84b79a79892dcb7cf3377a1523f320 [0,1,0,0,0,1|2,0,0]=4 414 B14R1.536 Cc1cnc(nc1)OC(C=O)C(C)C 6505fd8426d6342088d3057f4ee095fb [0,1,0,0,0,1|2,0,0]=4 415 B14R1.536 Cc1ncc(cn1)NC(C=O)C(C)C dad8ce7ead9857383e7acbcf4d24d41b [0,1,0,0,0,1|2,0,0]=4 416 B14R1.536 Cc1ncc(cn1)OC(C=O)C(C)C 805eb1d5b340d0fca41f306eb0fcba4b [0,1,0,0,0,1|2,0,0]=4 417 B14R1.542 CC(C)C(C=O)Nc1cc(ccn1)Br 764e2bd0654e0b1ba472e2e7bc4c52d0 [0,1,0,0,0,1|1,0,0]=3 418 B14R1.542 CC(C)C(C=O)Nc1cc(ccn1)Cl b92dd0c128b947978966364d981fef8a [0,1,0,0,0,1|1,0,0]=3 419 B14R1.542 CC(C)C(C=O)Nc1cc(ccn1)F 39dccbdc309d662ba71c8845ce0c4777 [0,1,0,0,0,1|1,0,0]=3 420 B14R1.542 CC(C)C(C=O)Nc1cc(ccn1)I 29469a396254a9c34cff08bf17dbdd3c [0,1,0,0,0,1|1,0,0]=3 421 B14R1.542 CC(C)C(C=O)Nc1cc(cnn1)Br 12cec7775a96d04fc18e91fed006f8e3 [0,1,0,0,0,1|2,0,0]=4 422 B14R1.542 CC(C)C(C=O)Nc1cc(cnn1)Cl 6a93c938890b3a3bd4010bafc1b3f7ea [0,1,0,0,0,1|2,0,0]=4 423 B14R1.542 CC(C)C(C=O)Nc1cc(ncn1)Br 034f6659964e32695cb499664f288b9a [0,1,0,0,0,1|2,0,0]=4 424 B14R1.542 CC(C)C(C=O)Nc1cc(ncn1)Cl edb8ad6faab3b99999d21fbd6cbb4ee2 [0,1,0,0,0,1|2,0,0]=4 425 B14R1.542 CC(C)C(C=O)Nc1cc(ncn1)F 570b4eafcf3eaa2a39a132b1209e908d [0,1,0,0,0,1|2,0,0]=4 426 B14R1.542 CC(C)C(C=O)Nc1cc(ncn1)I 3ec623b2439eaba8e85ed2cce5f2b6a4 [0,1,0,0,0,1|2,0,0]=4 427 B14R1.542 CC(C)C(C=O)Nc1cc[nH]c(=O)n1 1026aace26c70c69818ef3a35c5bd4e3 [0,1,0,0,0,1|2,0,0]=4 428 B14R1.542 CC(C)C(C=O)Nc1cc[nH]c(=S)c1 ec192c48ec07693f552b30595baa0fd2 [0,1,0,0,0,1|1,0,0]=3 429 B14R1.542 CC(C)C(C=O)Nc1cccc(c1)Br 0082adc44432c999b238e3879455dcd6 [0,1,0,0,0,1|0,0,0]=2 430 B14R1.542 CC(C)C(C=O)Nc1cccc(c1)Cl 2a538b618fa1931a802b9109da90fc52 [0,1,0,0,0,1|0,0,0]=2 431 B14R1.542 CC(C)C(C=O)Nc1cccc(c1)F 52fd27f834c47b118cf7ef63ac697b94 [0,1,0,0,0,1|0,0,0]=2 432 B14R1.542 CC(C)C(C=O)Nc1cccc(c1)I 2e549aba32184ae28d53dfe320096cbb [0,1,0,0,0,1|0,0,0]=2 433 B14R1.542 CC(C)C(C=O)Nc1cccc(c1)S 98b5eecae981493a1efe06cdf04f3be8 [0,1,0,0,0,1|0,0,0]=2 434 B14R1.542 CC(C)C(C=O)Nc1cccc(n1)Br 46fab71450a628855b358b1753d48cd3 [0,1,0,0,0,1|1,0,0]=3 435 B14R1.542 CC(C)C(C=O)Nc1cccc(n1)Cl 3d7fe7a5099be3fdc0f4a4b4b77b5fb4 [0,1,0,0,0,1|1,0,0]=3 436 B14R1.542 CC(C)C(C=O)Nc1cccc(n1)F ff65cfb8cf34bada27217fbf39509f76 [0,1,0,0,0,1|1,0,0]=3 437 B14R1.542 CC(C)C(C=O)Nc1cccc(n1)I 61f2460491e00b74b6aec5c95431d32e [0,1,0,0,0,1|1,0,0]=3 438 B14R1.542 CC(C)C(C=O)Nc1ccnc(c1)Br 18b51bbbbf4a0b36b1cbd576c76d8b54 [0,1,0,0,0,1|1,0,0]=3 439 B14R1.542 CC(C)C(C=O)Nc1ccnc(c1)Cl a41e099fb21da3f54581ec3dd0ca493b [0,1,0,0,0,1|1,0,0]=3 440 B14R1.542 CC(C)C(C=O)Nc1ccnc(c1)F d0eeb50c79d6432bec7babd0bca3683b [0,1,0,0,0,1|1,0,0]=3 441 B14R1.542 CC(C)C(C=O)Nc1ccnc(c1)I 15c6faae40b9fa6a02016eefc9a2ffba [0,1,0,0,0,1|1,0,0]=3 442 B14R1.542 CC(C)C(C=O)Nc1ccnc(n1)Br 1647e62c92205a976866edd69179f875 [0,1,0,0,0,1|2,0,0]=4 443 B14R1.542 CC(C)C(C=O)Nc1ccnc(n1)Cl c5e91fb301645ac254d34f25052cbd74 [0,1,0,0,0,1|2,0,0]=4 444 B14R1.542 CC(C)C(C=O)Nc1ccnc(n1)F 5cd67f2fbede7b45b3efac81444d75c6 [0,1,0,0,0,1|2,0,0]=4 445 B14R1.542 CC(C)C(C=O)Nc1ccnc(n1)S 03103510375a72c87e45a016b3dcc103 [0,1,0,0,0,1|2,0,0]=4 446 B14R1.542 CC(C)C(C=O)Nc1cn[nH]c(=O)c1 d57c8f634e92a27fb565f813c2a0b51f [0,1,0,0,0,1|2,0,0]=4 447 B14R1.542 CC(C)C(C=O)Nc1cncc(c1)Br 9a5936c4d5f852b85c95229436c03096 [0,1,0,0,0,1|1,0,0]=3 448 B14R1.542 CC(C)C(C=O)Nc1cncc(c1)Cl 61a040879c1dbe746e29fc3e2e280826 [0,1,0,0,0,1|1,0,0]=3 449 B14R1.542 CC(C)C(C=O)Nc1cncc(c1)F f4ea166060ec1858530a442194a2dd7d [0,1,0,0,0,1|1,0,0]=3 450 B14R1.542 CC(C)C(C=O)Nc1cncc(c1)I 6f83423f91d98f7e388a4880d6505eab [0,1,0,0,0,1|1,0,0]=3 451 B14R1.542 CC(C)C(C=O)Nc1cncc(n1)Br e64a9bf65edd3e43b279aa51fbbd6dba [0,1,0,0,0,1|2,0,0]=4 452 B14R1.542 CC(C)C(C=O)Nc1cncc(n1)Cl 2e6b1d89a5f1729ccc3cf15f4da5a0c7 [0,1,0,0,0,1|2,0,0]=4 453 B14R1.542 CC(C)C(C=O)Nc1cncc(n1)F 1269c1995c7eb126ada11143f1ded519 [0,1,0,0,0,1|2,0,0]=4 454 B14R1.542 CC(C)C(C=O)Nc1cnnc(c1)Cl 0cb8d29478a326c9fd29f1de74675b92 [0,1,0,0,0,1|2,0,0]=4 455 B14R1.542 CC(C)C(C=O)Nc1cnnc(c1)F 884433f8c9dad1988765f6fdfa2cefdc [0,1,0,0,0,1|2,0,0]=4 456 B14R1.542 CC(C)C(C=O)Nc1nccc(=O)[nH]1 c78820b581376866844ce4ac4b0bc8c8 [0,1,0,0,0,1|2,0,0]=4 457 B14R1.542 CC(C)C(C=O)Nc1nccc(n1)Br a7bf9b380824c1f80ec2f10bc780069c [0,1,0,0,0,1|2,0,0]=4 458 B14R1.542 CC(C)C(C=O)Nc1nccc(n1)Cl 08f31d849eaf70d2f358f64a379f91b7 [0,1,0,0,0,1|2,0,0]=4 459 B14R1.542 CC(C)C(C=O)Nc1nccc(n1)F 6647222150d16d664e22ab3cb01e282c [0,1,0,0,0,1|2,0,0]=4 460 B14R1.542 CC(C)C(C=O)Nc1nccc(n1)I 68408e6ec904c7852e072b0d267e8315 [0,1,0,0,0,1|2,0,0]=4 461 B14R1.542 CC(C)C(C=O)Nc1nccc(n1)S f00eb35e9063b445ffa9990f530c6526 [0,1,0,0,0,1|2,0,0]=4 462 B14R1.542 CC(C)C(C=O)Oc1cc(ccn1)Br 77b37f373ab7169af2f466531c0f2af6 [0,1,0,0,0,1|1,0,0]=3 463 B14R1.542 CC(C)C(C=O)Oc1cc(ccn1)Cl 10ff9ae49dba0b8dc1dbb13597dbd421 [0,1,0,0,0,1|1,0,0]=3 464 B14R1.542 CC(C)C(C=O)Oc1cc(ccn1)F ad0475be6e2ec0c292054b3d8239b0c9 [0,1,0,0,0,1|1,0,0]=3 465 B14R1.542 CC(C)C(C=O)Oc1cc(ncn1)Br 567b5162d970c8ab2e9fbac71806ee60 [0,1,0,0,0,1|2,0,0]=4 466 B14R1.542 CC(C)C(C=O)Oc1cc(ncn1)Cl 6b51ff39dcbe9c85ab15aac5facba3d3 [0,1,0,0,0,1|2,0,0]=4 467 B14R1.542 CC(C)C(C=O)Oc1ccc[n+](c1)[O-] 51c70c7c08af0b37671b7e754bd658e0 [0,1,0,0,0,1|1,0,0]=3 468 B14R1.542 CC(C)C(C=O)Oc1cccc(=O)[nH]1 2a4892d5ea0524c5a166e4e12260a815 [0,1,0,0,0,1|1,0,0]=3 469 B14R1.542 CC(C)C(C=O)Oc1cccc(c1)Br 73320d1465fe4978c4674d10df51f9f7 [0,1,0,0,0,1|0,0,0]=2 470 B14R1.542 CC(C)C(C=O)Oc1cccc(c1)Cl c3867561c7f472ebe7d52f5951f18853 [0,1,0,0,0,1|0,0,0]=2 471 B14R1.542 CC(C)C(C=O)Oc1cccc(c1)F c4a03858befebd2498a1754a2d2e2ca1 [0,1,0,0,0,1|0,0,0]=2 472 B14R1.542 CC(C)C(C=O)Oc1cccc(c1)I 77679068980c30048f30c3e54d5980a6 [0,1,0,0,0,1|0,0,0]=2 473 B14R1.542 CC(C)C(C=O)Oc1cccc(c1)S 369d729dda7b109ff90c0fa213799a20 [0,1,0,0,0,1|0,0,0]=2 474 B14R1.542 CC(C)C(C=O)Oc1cccc(n1)Br 2132187ef8ccdf7b601351a7c1db4d09 [0,1,0,0,0,1|1,0,0]=3 475 B14R1.542 CC(C)C(C=O)Oc1cccc(n1)F 3d9126148d6b8908d53d94039740afd1 [0,1,0,0,0,1|1,0,0]=3 476 B14R1.542 CC(C)C(C=O)Oc1ccnc(c1)Br f58645c3398bebf1053f6929b5ef2eb5 [0,1,0,0,0,1|1,0,0]=3 477 B14R1.542 CC(C)C(C=O)Oc1ccnc(c1)Cl 8a9ab6d75c29b08f7554cdbd6f0e284b [0,1,0,0,0,1|1,0,0]=3 478 B14R1.542 CC(C)C(C=O)Oc1ccnc(c1)F 893d1a89e0b0246e9965cc6cb90aac68 [0,1,0,0,0,1|1,0,0]=3 479 B14R1.542 CC(C)C(C=O)Oc1ccnc(n1)Cl 39151cd207891aa5b177ba222396e5f9 [0,1,0,0,0,1|2,0,0]=4 480 B14R1.542 CC(C)C(C=O)Oc1cncc(c1)Br 3a233971865c8a68227824b68be2efb8 [0,1,0,0,0,1|1,0,0]=3 481 B14R1.542 CC(C)C(C=O)Oc1cncc(c1)Cl 330e3ecd138cda4480bd31a748196d98 [0,1,0,0,0,1|1,0,0]=3 482 B14R1.542 CC(C)C(C=O)Oc1cncc(c1)F f6ae57c095bc9d8ce263ed2e49ee0b3f [0,1,0,0,0,1|1,0,0]=3 483 B14R1.542 CC(C)C(C=O)Oc1cncc(c1)I 3efed49a80d54507dcaf570ade5be256 [0,1,0,0,0,1|1,0,0]=3 484 B14R1.542 CC(C)C(C=O)Oc1cncc(n1)Br 7b5379508e7a1df82e0356c9eaeb7225 [0,1,0,0,0,1|2,0,0]=4 485 B14R1.542 CC(C)C(C=O)Oc1cncc(n1)Cl f7242fc9990857be7a6e2dcc8b6e5ac5 [0,1,0,0,0,1|2,0,0]=4 486 B14R1.542 CC(C)C(C=O)Oc1cnnc(c1)Cl de8c6d3bec62c22c4f8845b7572a4723 [0,1,0,0,0,1|2,0,0]=4 487 B14R1.542 CC(C)C(C=O)Oc1nccc(n1)Cl 033f64201417fdedf464070e55e9adce [0,1,0,0,0,1|2,0,0]=4 488 B14R1.542 CC(C)C(C=O)Oc1nccc(n1)S 55925e9db0fab4a7114dab59d576355c [0,1,0,0,0,1|2,0,0]=4 489 B14R1.542 CC(C)N(C=O)Cc1cccc(c1)Br feba2dd28eccf2ba72ff9929046eaeba [0,1,0,0,0,1|1,0,0]=3 490 B14R1.542 CC(C)N(C=O)Cc1cccc(c1)Cl 71e5e6ddc0058947a77f09d23564ea82 [0,1,0,0,0,1|1,0,0]=3 491 B14R1.542 CC(C)N(C=O)Cc1cccc(c1)F 4bed5ed85ce9c0719c053c5ea9168367 [0,1,0,0,0,1|1,0,0]=3 492 B14R1.542 CC(C)N(C=O)Cc1cccc(c1)I 4fd83a170e30157d130d99a0c428d701 [0,1,0,0,0,1|1,0,0]=3 493 B14R1.542 CC(C)N(C=O)Cc1ccnc(c1)Br 0e3223a3b9691fe0bcc34983857bf1cb [0,1,0,0,0,1|2,0,0]=4 494 B14R1.542 CC(C)N(C=O)Cc1cncc(c1)F 9d83699a36a6cfc1b9b60d796b842ea7 [0,1,0,0,0,1|2,0,0]=4 495 B14R1.542 CCC(Nc1cccc(c1)C)C(C)C 0003864ec94b85c63d01782c008b6ed6 [0,1,0,0,0,1|1,0,1]=4 496 B14R1.542 Cc1cc(ccn1)NC(C=O)C(C)C b6fb0b32a46ee29c3b9af5e8c8f0b835 [0,1,0,0,0,1|1,0,0]=3 497 B14R1.542 Cc1cc(ccn1)OC(C=O)C(C)C 4f3e50b0a59047e941074b174f147f3d [0,1,0,0,0,1|1,0,0]=3 498 B14R1.542 Cc1cc(ncn1)NC(C=O)C(C)C 794430f134b446676cc23cf3e7120c87 [0,1,0,0,0,1|2,0,0]=4 499 B14R1.542 Cc1cc(ncn1)OC(C=O)C(C)C cd46bb579d21f6f7c244c7bf54a75a51 [0,1,0,0,0,1|2,0,0]=4 500 B14R1.542 Cc1cccc(c1)CN(C=O)C(C)C 4ea1ecf6c7c86532f3d58fc78e75e7f8 [0,1,0,0,0,1|1,0,0]=3 501 B14R1.542 Cc1cccc(c1)NC(C=O)C(C)C 32a1457d25a1356a6e1ff0d31a5ca855 [0,1,0,0,0,1|0,0,0]=2 502 B14R1.542 Cc1cccc(c1)NC(CO)C(C)C e7731bf3ecd87b229c03f9a6f9230faf [0,1,0,0,0,1|0,0,2]=4 503 B14R1.542 Cc1cccc(c1)N[C@@H](CO)C(C)C 3f63df8da5a3c8b9b825a1b0af16f951 [0,1,0,0,0,1|0,0,2]=4 504 B14R1.542 Cc1cccc(c1)N[C@H](CO)C(C)C 3016c84bf0e33de42367f2d06d9974fc [0,1,0,0,0,1|0,0,2]=4 505 B14R1.542 Cc1cccc(c1)OC(C=O)C(C)C 07cf92c4f45d09d16d004620682c2769 [0,1,0,0,0,1|0,0,0]=2 506 B14R1.542 Cc1cccc(n1)NC(C=O)C(C)C c23167d4b0c9ef62ea40fbb5e7098665 [0,1,0,0,0,1|1,0,0]=3 507 B14R1.542 Cc1cccc(n1)OC(C=O)C(C)C e2f7747e34ac7c3ce55a2423612b5113 [0,1,0,0,0,1|1,0,0]=3 508 B14R1.542 Cc1ccnc(c1)NC(C=O)C(C)C 5d83110a3c72f666b87506709dd4763e [0,1,0,0,0,1|1,0,0]=3 509 B14R1.542 Cc1ccnc(c1)OC(C=O)C(C)C e9f0008b709c643f3d2c9f43e7fc33da [0,1,0,0,0,1|1,0,0]=3 510 B14R1.542 Cc1ccnc(n1)NC(C=O)C(C)C 0b203d21b725418561a4b9856fd98ed3 [0,1,0,0,0,1|2,0,0]=4 511 B14R1.542 Cc1cncc(c1)NC(C=O)C(C)C 807c75511780182db251bd7652de439f [0,1,0,0,0,1|1,0,0]=3 512 B14R1.542 Cc1cncc(c1)OC(C=O)C(C)C 18694ae3da371d7f230d6615a150f648 [0,1,0,0,0,1|1,0,0]=3 513 B14R1.542 Cc1cncc(n1)NC(C=O)C(C)C 32459d5fae04dc780cb5ebd24297b410 [0,1,0,0,0,1|2,0,0]=4 514 B14R1.542 Cc1cncc(n1)OC(C=O)C(C)C d29b4803e7ab66e6d0bb0e0989ade55b [0,1,0,0,0,1|2,0,0]=4 515 B14R1.542 Cc1cnnc(c1)NC(C=O)C(C)C 1ab7ee2ec668af271c9cdafc8e32801c [0,1,0,0,0,1|2,0,0]=4 516 B14R1.542 Cc1nccc(n1)NC(C=O)C(C)C 9e3d7a3fdcc4c91a39e031245a37b543 [0,1,0,0,0,1|2,0,0]=4 517 B14R1.542 Cc1nccc(n1)OC(C=O)C(C)C a9b6e06b659d9ab2573c4bf1e260f8d2 [0,1,0,0,0,1|2,0,0]=4 518 B14R1.548 CC(C)(C)C(CO)Nc1ccccc1 15808185f7b30906d3ab121f94b6e86f [0,1,0,0,0,1|0,0,2]=4 519 B14R1.548 CC(C)(C)N(C=O)Cc1ccccc1 66fb7213642b8da8b8948da0f5b26146 [0,1,0,0,0,1|1,0,0]=3 520 B14R1.548 CC(C)(C)N(C=O)Cc1ccccn1 ac9c2ccf2efae0e6d05b680d613e825a [0,1,0,0,0,1|2,0,0]=4 521 B14R1.548 CC(C)(C)N(C=O)Cc1cccnc1 af6caec2ce73a3fa544cb08c54ecac3b [0,1,0,0,0,1|2,0,0]=4 522 B14R1.548 CC(C)(C)N(C=O)Sc1ccccc1 bab49bf37c31aea3c1338b7b2982891b [0,1,0,0,0,1|1,0,0]=3 523 B14R1.548 CC(C)(C)[C@@H](CO)Nc1ccccc1 463cb918104cbf44a4838ee75aa71473 [0,1,0,0,0,1|0,0,2]=4 524 B14R1.548 CC(C)(C)[C@H](CO)Nc1ccccc1 8e103c8f238f2de78250282fd0dca1a1 [0,1,0,0,0,1|0,0,2]=4 525 B14R1.548 CC[C@@H](Nc1ccccc1)C(C)(C)O 71f8904ae4aec188dcb91262debe746e [0,1,0,0,0,1|1,0,1]=4 526 B14R1.548 CC[C@H](Nc1ccccc1)C(C)(C)O 980a966f74043b0fb2854ada5796d885 [0,1,0,0,0,1|1,0,1]=4 527 B14R1.550 CC(C)C(C=O)Nc1c[nH]cnc1=O 3415617248a94b536fe322b405b43189 [0,1,0,0,0,1|2,0,0]=4 528 B14R1.550 CC(C)C(C=O)Nc1ccc[nH]c1=S 8ef0dcf4e74368a80ce4fbfa340be896 [0,1,0,0,0,1|1,0,0]=3 529 B14R1.550 CC(C)C(C=O)Nc1cccc[n+]1[O-] 6ed3600b44f4d0233356e287b9022a5d [0,1,0,0,0,1|1,0,0]=3 530 B14R1.550 CC(C)C(C=O)Nc1ccccc1Cl 85e5447b0430d3ff4de1ce0c4ab2f003 [0,1,0,0,0,1|0,0,0]=2 531 B14R1.550 CC(C)C(C=O)Nc1ccccc1F ec9f5c827c6f04a88f48b70e144231d6 [0,1,0,0,0,1|0,0,0]=2 532 B14R1.550 CC(C)C(C=O)Nc1ccccc1I 94803cd7629344ba8f57fd8ed9a6673a [0,1,0,0,0,1|0,0,0]=2 533 B14R1.550 CC(C)C(C=O)Nc1cccnc1Br ff5df535faed466063ae3f65c3099467 [0,1,0,0,0,1|1,0,0]=3 534 B14R1.550 CC(C)C(C=O)Nc1cccnc1Cl 39f627120621bf30f60ea05f9927fcf9 [0,1,0,0,0,1|1,0,0]=3 535 B14R1.550 CC(C)C(C=O)Nc1cccnc1F f78968c8f2b08f224150e274a3c34a26 [0,1,0,0,0,1|1,0,0]=3 536 B14R1.550 CC(C)C(C=O)Nc1cccnc1I dc51677f31d367905ccae90da5dc35a7 [0,1,0,0,0,1|1,0,0]=3 537 B14R1.550 CC(C)C(C=O)Nc1ccn[nH]c1=O cfc2afe4afa6ef9bf789a9927b605a23 [0,1,0,0,0,1|2,0,0]=4 538 B14R1.550 CC(C)C(C=O)Nc1ccn[nH]c1=S 57392026982949783edb218d204491f1 [0,1,0,0,0,1|2,0,0]=4 539 B14R1.550 CC(C)C(C=O)Nc1ccncc1Br 104c20ef8938b1ff7770b32da77c2b9f [0,1,0,0,0,1|1,0,0]=3 540 B14R1.550 CC(C)C(C=O)Nc1ccncc1Cl ccb0d19c9e60a97698fe2879b8eafa41 [0,1,0,0,0,1|1,0,0]=3 541 B14R1.550 CC(C)C(C=O)Nc1ccncc1F 07765e1d626c8a92ca4f91ecf86196e2 [0,1,0,0,0,1|1,0,0]=3 542 B14R1.550 CC(C)C(C=O)Nc1ccncc1I 5d3f8ac60d375fe1cd527f0357f805dc [0,1,0,0,0,1|1,0,0]=3 543 B14R1.550 CC(C)C(C=O)Nc1ccnnc1Br d46622fd249525b8fe10d57d0e175054 [0,1,0,0,0,1|2,0,0]=4 544 B14R1.550 CC(C)C(C=O)Nc1ccnnc1Cl fe1c3a9f348b4b6b23677c76c8e4f1b7 [0,1,0,0,0,1|2,0,0]=4 545 B14R1.550 CC(C)C(C=O)Nc1cnccc1Br 9ff9019a963808d42c11d4751fde5a46 [0,1,0,0,0,1|1,0,0]=3 546 B14R1.550 CC(C)C(C=O)Nc1cnccc1F 39e9686909c583c4f40455eb3bc55eb6 [0,1,0,0,0,1|1,0,0]=3 547 B14R1.550 CC(C)C(C=O)Nc1cnccc1I 92ffd04ec30901ea99ac7a34dd0ba2aa [0,1,0,0,0,1|1,0,0]=3 548 B14R1.550 CC(C)C(C=O)Nc1cnccc1S 40520e9ba3fece8e94a0b4de8266df48 [0,1,0,0,0,1|1,0,0]=3 549 B14R1.550 CC(C)C(C=O)Nc1cnncc1Br bd4d88d383b806d038bf5f4c025bada4 [0,1,0,0,0,1|2,0,0]=4 550 B14R1.550 CC(C)C(C=O)Nc1cnncc1Cl 218d90ce987a527079002021afffd6cf [0,1,0,0,0,1|2,0,0]=4 551 B14R1.550 CC(C)C(C=O)Nc1ncccc1Br 0499847346876825417fb311d6f55ed8 [0,1,0,0,0,1|1,0,0]=3 552 B14R1.550 CC(C)C(C=O)Nc1ncccc1Cl 90934cacef9cc9a117e7724fc2526abf [0,1,0,0,0,1|1,0,0]=3 553 B14R1.550 CC(C)C(C=O)Nc1ncccc1F eb940faa563ef062d1e3e25e8decdac1 [0,1,0,0,0,1|1,0,0]=3 554 B14R1.550 CC(C)C(C=O)Nc1ncccc1I cce1adf114fe665f41c8cd95d3a20ba8 [0,1,0,0,0,1|1,0,0]=3 555 B14R1.550 CC(C)C(C=O)Nc1nccnc1Br 5a97befa7cd5fa9d9277a7027329413d [0,1,0,0,0,1|2,0,0]=4 556 B14R1.550 CC(C)C(C=O)Nc1nccnc1Cl 98b600d8ac167c6450ccadcae7c6027b [0,1,0,0,0,1|2,0,0]=4 557 B14R1.550 CC(C)C(C=O)Nc1nccnc1I 2095e06b1967ab7a1f35a4efbc176161 [0,1,0,0,0,1|2,0,0]=4 558 B14R1.550 CC(C)C(C=O)Nc1ncncc1Cl 394b5bb2110737f91944743e82088e46 [0,1,0,0,0,1|2,0,0]=4 559 B14R1.550 CC(C)C(C=O)Nc1ncncc1F 60bea243f05ab8afd0c0a560c70aa854 [0,1,0,0,0,1|2,0,0]=4 560 B14R1.550 CC(C)C(C=O)Nc1ncncc1I 9f4d3c5c3d6893c6206a15211dc38901 [0,1,0,0,0,1|2,0,0]=4 561 B14R1.550 CC(C)C(C=O)Oc1c[nH]cnc1=O 70a8e2984a6e43fd141de06433c42aba [0,1,0,0,0,1|2,0,0]=4 562 B14R1.550 CC(C)C(C=O)Oc1ccc[nH]c1=S 770519e8f97c3c646707e4570b66de78 [0,1,0,0,0,1|1,0,0]=3 563 B14R1.550 CC(C)C(C=O)Oc1cccc[n+]1[O-] 96921fe403788d19c2b64113e22d1505 [0,1,0,0,0,1|1,0,0]=3 564 B14R1.550 CC(C)C(C=O)Oc1ccccc1Cl e7ee0ee94c28be3f0e9a15908de594dc [0,1,0,0,0,1|0,0,0]=2 565 B14R1.550 CC(C)C(C=O)Oc1ccccc1F 03934245978901e29a347b00d3e5d048 [0,1,0,0,0,1|0,0,0]=2 566 B14R1.550 CC(C)C(C=O)Oc1ccccc1I 873f1de5d92d11a6a6085cc18ca9dd11 [0,1,0,0,0,1|0,0,0]=2 567 B14R1.550 CC(C)C(C=O)Oc1cccnc1Br d55b2888eaffc3582d7f5a9dfa18ba5f [0,1,0,0,0,1|1,0,0]=3 568 B14R1.550 CC(C)C(C=O)Oc1cccnc1Cl fb0c7fba4ce019435d4933e3fa442afe [0,1,0,0,0,1|1,0,0]=3 569 B14R1.550 CC(C)C(C=O)Oc1cccnc1F c61b47e5d5785dddfc6c4f0fae1a5df9 [0,1,0,0,0,1|1,0,0]=3 570 B14R1.550 CC(C)C(C=O)Oc1cccnc1I a88477822bb8c261e5e9d58b0a47e5ed [0,1,0,0,0,1|1,0,0]=3 571 B14R1.550 CC(C)C(C=O)Oc1cccoc1=O b35623bd35cb58c2b93330281f398873 [0,1,0,0,0,1|1,0,0]=3 572 B14R1.550 CC(C)C(C=O)Oc1ccncc1Br df9c4cae1fda1fbc91f9f6aacdf32ce3 [0,1,0,0,0,1|1,0,0]=3 573 B14R1.550 CC(C)C(C=O)Oc1ccncc1Cl 32aa6f04233987fa9c2230f27f69d566 [0,1,0,0,0,1|1,0,0]=3 574 B14R1.550 CC(C)C(C=O)Oc1ccncc1F 03c6d0640ac745b4c989e68534d8a2a1 [0,1,0,0,0,1|1,0,0]=3 575 B14R1.550 CC(C)C(C=O)Oc1ccnnc1Cl da9479fb9f6528a28219a1ab2f3101b9 [0,1,0,0,0,1|2,0,0]=4 576 B14R1.550 CC(C)C(C=O)Oc1cnccc1Br 8c10b84f3883988790bcd6fd6715e992 [0,1,0,0,0,1|1,0,0]=3 577 B14R1.550 CC(C)C(C=O)Oc1cnccc1F 634a791a8ff9d481185baf2cd70ce168 [0,1,0,0,0,1|1,0,0]=3 578 B14R1.550 CC(C)C(C=O)Oc1cnccc1I f90125a84665112a4341189486986bde [0,1,0,0,0,1|1,0,0]=3 579 B14R1.550 CC(C)C(C=O)Oc1cnncc1Br 63076fb3a9dee6d8ff6ced74701d31c4 [0,1,0,0,0,1|2,0,0]=4 580 B14R1.550 CC(C)C(C=O)Oc1cnncc1Cl 33fb6c226f6e14c78c2bb16c3f915371 [0,1,0,0,0,1|2,0,0]=4 581 B14R1.550 CC(C)C(C=O)Oc1coccc1=O ec9b3804fbc2bbb4d93d758202332479 [0,1,0,0,0,1|1,0,0]=3 582 B14R1.550 CC(C)C(C=O)Oc1ncccc1Br cd70db17fcbd8f31f80c87bf819653c6 [0,1,0,0,0,1|1,0,0]=3 583 B14R1.550 CC(C)C(C=O)Oc1ncccc1Cl d42f80644b3e258ac5539b1ecf44b18c [0,1,0,0,0,1|1,0,0]=3 584 B14R1.550 CC(C)C(C=O)Oc1ncccc1F afe17e245ebccedbcd6b4778adbd71af [0,1,0,0,0,1|1,0,0]=3 585 B14R1.550 CC(C)C(C=O)Oc1nccnc1Br e2e2b2fbe2a79a1ae8b98f77ce1804e3 [0,1,0,0,0,1|2,0,0]=4 586 B14R1.550 CC(C)C(C=O)Oc1ncncc1Cl 8f2da3a82acdacfceb71024108141c08 [0,1,0,0,0,1|2,0,0]=4 587 B14R1.550 CC(C)C(C=O)Oc1ncncc1F 9a2ad5fdc8b23bbb57f52503aee510a6 [0,1,0,0,0,1|2,0,0]=4 588 B14R1.550 CC(C)C(C=O)Oc1ncncc1I e74ed8ad28b064db399db7954dd9702d [0,1,0,0,0,1|2,0,0]=4 589 B14R1.550 CC(C)C(C=O)Oc1nnccc1Cl 572bf14bf6c2656e20260f4e0754fb65 [0,1,0,0,0,1|2,0,0]=4 590 B14R1.550 CC(C)C(C=O)Oc1nnccc1I fdbc8077f895e76bfa8091f3f5d5ed26 [0,1,0,0,0,1|2,0,0]=4 591 B14R1.550 CC(C)C(C=O)On1ccccc1=N 6fa100a22abd37fc461af6415408261f [0,1,0,0,0,1|1,0,0]=3 592 B14R1.550 CC(C)C(C=O)On1ccccc1=O 97815a0351516e1eb6c15342df089c5e [0,1,0,0,0,1|1,0,0]=3 593 B14R1.550 CC(C)C(C=O)On1ccccc1=S a7fd0418a9f956ff57140582e35172e5 [0,1,0,0,0,1|1,0,0]=3 594 B14R1.550 CC(C)C(CO)Nc1ccccc1F 541cb463b42caa93f9c0c2ddd3437cc9 [0,1,0,0,0,1|0,0,2]=4 595 B14R1.550 CC(C)N(C=O)Cc1ccccc1Br 23768223b087b144bc549f8530ba1d47 [0,1,0,0,0,1|1,0,0]=3 596 B14R1.550 CC(C)N(C=O)Cc1ccccc1F 32dbe9d8f557fa163f642c3a40b0dc09 [0,1,0,0,0,1|1,0,0]=3 597 B14R1.550 CC(C)[C@@H](CO)Nc1ccccc1F ab3ca9d4920c63410ea29beca5db0538 [0,1,0,0,0,1|0,0,2]=4 598 B14R1.550 CC(C)[C@H](CO)Nc1ccccc1F 6b8773e1e495265fd09e9cdba988bd23 [0,1,0,0,0,1|0,0,2]=4 599 B14R1.550 CCC(Nc1ccccc1C)C(C)C 931e9c8521cd652f463dde8dbaa1a76a [0,1,0,0,0,1|1,0,1]=4 600 B14R1.550 CCC(Nc1ccccc1F)C(C)C 547211e675df29e10944637869c1b488 [0,1,0,0,0,1|1,0,1]=4 601 B14R1.550 Cc1ccccc1CN(C=O)C(C)C 21fecca1c0dedcf7236fb73fc1124773 [0,1,0,0,0,1|1,0,0]=3 602 B14R1.550 Cc1ccccc1NC(CO)C(C)C 9d02c6f039d95c2288ba202fccdf2343 [0,1,0,0,0,1|0,0,2]=4 603 B14R1.550 Cc1ccccc1N[C@@H](CO)C(C)C 91e9613afe75bd6445ffa3fd8fc17e30 [0,1,0,0,0,1|0,0,2]=4 604 B14R1.550 Cc1ccccc1N[C@H](CO)C(C)C 622ae0c571c1a96c7ff5b73db3bced26 [0,1,0,0,0,1|0,0,2]=4 605 B14R1.550 Cc1ccccc1OC(C=O)C(C)C 4b2bcb4bbd856afeb347ed4694d14b23 [0,1,0,0,0,1|0,0,0]=2 606 B14R1.550 Cc1cccnc1CN(C=O)C(C)C e3b9f7411a9d17abc124fdad73a7ce29 [0,1,0,0,0,1|2,0,0]=4 607 B14R1.550 Cc1cccnc1NC(C=O)C(C)C 06d279b5e6c2ec6ba2557f8434c8da2c [0,1,0,0,0,1|1,0,0]=3 608 B14R1.550 Cc1cccnc1OC(C=O)C(C)C e5ad2c6f2c1557179d79447c4e17feb9 [0,1,0,0,0,1|1,0,0]=3 609 B14R1.550 Cc1ccncc1NC(C=O)C(C)C 2845014cfa2321a12d5a30dcdcee5ac8 [0,1,0,0,0,1|1,0,0]=3 610 B14R1.550 Cc1ccncc1OC(C=O)C(C)C 2dd48eafe933d0de40740fd9cfe168fd [0,1,0,0,0,1|1,0,0]=3 611 B14R1.550 Cc1ccnnc1NC(C=O)C(C)C 68441726dcba245ae6c517858119276d [0,1,0,0,0,1|2,0,0]=4 612 B14R1.550 Cc1ccnnc1OC(C=O)C(C)C 4ddefd8097eab9a7352d960aeab658cc [0,1,0,0,0,1|2,0,0]=4 613 B14R1.550 Cc1cnccc1NC(C=O)C(C)C 54ba477dff92b6fa333be7d56566987d [0,1,0,0,0,1|1,0,0]=3 614 B14R1.550 Cc1cnccc1OC(C=O)C(C)C e0a0d57f2b384914814092df69378c4f [0,1,0,0,0,1|1,0,0]=3 615 B14R1.550 Cc1cncnc1OC(C=O)C(C)C 3ed4bc76c6de66a54243cdb6d090b046 [0,1,0,0,0,1|2,0,0]=4 616 B14R1.550 Cc1ncccc1NC(C=O)C(C)C 31ca43baa9e09fc6df4d2d2cd051b071 [0,1,0,0,0,1|1,0,0]=3 617 B14R1.550 Cc1ncccc1OC(C=O)C(C)C 24b6f544205640455bec7f6a6e4e2b50 [0,1,0,0,0,1|1,0,0]=3 618 B14R1.550 Cc1nccnc1NC(C=O)C(C)C a162fb9e410606ef417e821470f46053 [0,1,0,0,0,1|2,0,0]=4 619 B14R1.550 Cc1nccnc1OC(C=O)C(C)C 98ce71f0935827041de7379f7542de45 [0,1,0,0,0,1|2,0,0]=4 620 B14R1.550 Cc1ncncc1OC(C=O)C(C)C 6033e3c2e72f15d7857517904f031592 [0,1,0,0,0,1|2,0,0]=4 621 B14R1.550 Cc1nnccc1NC(C=O)C(C)C 2f5b9191c7b3653ebfcbd57a4e7e2e4b [0,1,0,0,0,1|2,0,0]=4 622 B14R1.980 C=CCN(Cc1ccccc1)C(C)C 4cbd355d01f3248fbaf93839c75dcd14 [0,1,0,0,0,1|2,0,0]=4 623 B14R1.980 CC(C)C(CCO)Nc1ccccc1 0052be3826a6a27a3ed86d52846365e4 [0,1,0,0,0,1|0,0,2]=4 624 B14R1.980 CC(C)C(Cc1ccccc1)NC=O d403a3ba5d2aa3bff000bb1b051a6637 [0,1,0,0,0,1|0,0,0]=2 625 B14R1.980 CC(C)N(CC=O)Cc1ccccc1 971917ce543cb08b8b008c0e95c63a98 [0,1,0,0,0,1|1,0,0]=3 626 B14R1.980 CC(C)N(CC=O)Cc1ccccn1 57f95e3a27d02e13418ac26aba893700 [0,1,0,0,0,1|2,0,0]=4 627 B14R1.980 CC(C)N(CC=O)Cc1cccnc1 728054d40988907a7471e6e096ebd628 [0,1,0,0,0,1|2,0,0]=4 628 B14R1.980 COCC(Nc1ccccc1)C(C)C 5638a94002acd75d2aa099e73fd1ce48 [0,1,0,0,0,1|0,0,2]=4 629 B14R1.980 COC[C@@H](Nc1ccccc1)C(C)C ada13d0f577fd32300cc265daed185c1 [0,1,0,0,0,1|0,0,2]=4 630 B14R1.980 COC[C@H](Nc1ccccc1)C(C)C 088ecb2a7daa32cfa6a11b2c5b190081 [0,1,0,0,0,1|0,0,2]=4 631 B14R1.1017 CC(C)C(C=O)N(C)c1ccccn1 6e6ddce6fe55c0bc8b616b82968110db [0,1,0,0,0,1|1,0,0]=3 632 B14R1.1017 CC(C)C(C=O)N(C)c1cccnc1 0c24aab166680f6f0973964159670298 [0,1,0,0,0,1|1,0,0]=3 633 B14R1.1017 CC(C)C(C=O)N(C)c1cccnn1 e8993d3263389e4c56b9a6243a90c413 [0,1,0,0,0,1|2,0,0]=4 634 B14R1.1017 CC(C)C(C=O)N(C)c1ccncc1 a411b55ce6f3d97a4c61d9bf38d380df [0,1,0,0,0,1|1,0,0]=3 635 B14R1.1017 CC(C)C(C=O)N(C)c1ccncn1 e63349bd57da484b21a740717f33924e [0,1,0,0,0,1|2,0,0]=4 636 B14R1.1017 CC(C)C(C=O)N(C)c1ccnnc1 a210d3c8a953f849ff36742669e3d2c0 [0,1,0,0,0,1|2,0,0]=4 637 B14R1.1017 CC(C)C(C=O)N(C)c1cnccn1 7b9ff9a93371c31fb9fcb82f76a4c6b1 [0,1,0,0,0,1|2,0,0]=4 638 B14R1.1017 CC(C)C(C=O)N(C)c1cncnc1 4c79c6fb737b02f1c41e273af6948dac [0,1,0,0,0,1|2,0,0]=4 639 B14R1.1017 CC(C)C(C=O)N(C)c1ncccn1 9c13c2ef27cc1b7943a72fd3523e241a [0,1,0,0,0,1|2,0,0]=4 640 B14R1.1017 CC(C)C(CO)N(C)c1ccccc1 57f1a3102b6b86122ce818047df37b14 [0,1,0,0,0,1|0,0,2]=4 641 B14R1.1031 CC(CO)N(C=O)Cc1ccccc1 6f7d5c767651ba9a58f7bb462daa6779 [0,1,0,0,0,1|1,0,0]=3 642 B14R1.1031 CCC(C)C(CO)Nc1ccccc1 95b3fecdbfab977903c900d8b4d0a2b7 [0,1,0,0,0,1|0,0,2]=4 643 B14R1.1031 CCC(C)N(C=O)Cc1ccccc1 669b6f907ed65891b1eda15e920490d7 [0,1,0,0,0,1|1,0,0]=3 644 B14R1.1031 CCN(C)C(C=O)Cc1ccccc1 ca656620cf7cac13e8a45976ba09b14e [0,1,0,0,0,1|1,0,0]=3 645 B14R1.1031 CC[C@@H](C)[C@H](CO)Nc1ccccc1 5358bf5573898e52e6188064c1432161 [0,1,0,0,0,1|0,0,2]=4 646 B14R1.1031 CC[C@H](C)[C@@H](CO)Nc1ccccc1 155db6f578bf2b655c9476247e5f41bd [0,1,0,0,0,1|0,0,2]=4 647 B14R1.1031 C[C@@H](CO)N(C=O)Cc1ccccc1 0c772ecf7c4edb36234236b10b40e8ba [0,1,0,0,0,1|1,0,0]=3 648 B14R1.1031 C[C@H](CO)N(C=O)Cc1ccccc1 0ae2417896fdd0d0f72c45278883ae5e [0,1,0,0,0,1|1,0,0]=3 649 B14R1.4513 CC(=O)N(Cc1ccccc1)C(C)C 799966cb16a3049d31a709a2226c9fe7 [0,1,0,0,0,1|1,0,0]=3 650 B14R1.4513 CC(=O)N(Cc1ccccn1)C(C)C dfca048e561f0cc3cdadbf578c72a143 [0,1,0,0,0,1|2,0,0]=4 651 B14R1.4513 CC(=O)N(Cc1cccnc1)C(C)C 7ef06a1cde9cc3453a40e5d80ff377bb [0,1,0,0,0,1|2,0,0]=4 652 B14R1.4513 CC(C)C(Nc1ccccc1)C(C)C ddb2a83307a6c94ff19623af56b6360e [0,1,0,0,0,1|1,0,1]=4 653 B14R1.4513 CC(C)C(Nc1ccccn1)C(=O)N 39f41deb2209d103886340f1fb368aaa [0,1,0,0,0,1|1,0,0]=3 654 B14R1.4513 CC(C)C(Nc1cccnc1)C(=O)N 496c874201740f0e50d019db00baffe1 [0,1,0,0,0,1|1,0,0]=3 655 B14R1.4513 CC(C)C(Nc1cccnn1)C(=O)N fef0fd97a5c2ac3e95899d3d600143db [0,1,0,0,0,1|2,0,0]=4 656 B14R1.4513 CC(C)C(Nc1ccncc1)C(=O)N 9b46aa14e0d563d6b22f688b0c52733c [0,1,0,0,0,1|1,0,0]=3 657 B14R1.4513 CC(C)C(Nc1ccncn1)C(=O)N be90136b1ac7a51e96317ddd7c9200d2 [0,1,0,0,0,1|2,0,0]=4 658 B14R1.4513 CC(C)C(Nc1ccnnc1)C(=O)N 1da5386d36e8ef947a36f8f7ae4bd1f5 [0,1,0,0,0,1|2,0,0]=4 659 B14R1.4513 CC(C)C(Nc1cnccn1)C(=O)N d58fe22dbf3431077cfaeb8e1b9261a6 [0,1,0,0,0,1|2,0,0]=4 660 B14R1.4513 CC(C)C(Nc1ncccn1)C(=O)N b9bddbb5028b1bcf19ce27fc72b516d3 [0,1,0,0,0,1|2,0,0]=4 661 B14R1.4513 CC(C)C(Oc1ccccn1)C(=O)N 38f8ebe1eaa63382edd9e40accfe48db [0,1,0,0,0,1|1,0,0]=3 662 B14R1.4513 CC(C)C(Oc1cccnc1)C(=O)N d1e2fec90dc8b86af04e7ab56f102fb9 [0,1,0,0,0,1|1,0,0]=3 663 B14R1.4513 CC(C)C(Oc1ccncc1)C(=O)N 17eaf48372163d19f9fdd1766415f4b9 [0,1,0,0,0,1|1,0,0]=3 664 B14R1.4513 CC(C)C(Oc1ccnnc1)C(=O)N 13e321f7888b2ce413a44864bd8045ef [0,1,0,0,0,1|2,0,0]=4 665 B14R1.4513 CC(C)C(Oc1cnccn1)C(=O)N 23a92c8f97a91be6dda864d7ccacf87f [0,1,0,0,0,1|2,0,0]=4 666 B14R1.4513 CC(C)C(Oc1ncccn1)C(=O)N e888ceff5016fecd253fb4bf7e942a2c [0,1,0,0,0,1|2,0,0]=4 667 B14R1.4513 C[C@@H](O)[C@H](Nc1ccccc1)C(=O)N d27c3b660ade28e0251f1629889fcf0e [0,1,0,0,0,1|1,0,0]=3 668 B14R1.4513 C[C@@H](O)[C@H](Nc1cccnc1)C(=O)N 9aa3ec786e34c0d5a08adcbf97ccedaf [0,1,0,0,0,1|2,0,0]=4 669 B14R1.4513 C[C@@H](O)[C@H](Nc1ccncc1)C(=O)N e4150a5faf24cb5d7cc55f1cfa070538 [0,1,0,0,0,1|2,0,0]=4 670 B14R1.4513 C[C@H](O)[C@@H](Nc1cccnc1)C(=O)O 5c556c7642378433249c83143eef4bcf [0,1,0,0,0,1|2,0,0]=4 671 B14R1.4513 C[C@H](O)[C@@H](Nc1ccncc1)C(=O)O e4719c631e4948b61a4def33434afc38 [0,1,0,0,0,1|2,0,0]=4 672 B14R1.515 C#CCC(OC(C)C)c1ccccc1 44067a4e2bb559237207278ce58ef868 [0,1,0,0,0,1|1,0,1]=4 673 B14R1.515 C=CCC(OC(C)C)c1ccccc1 d4bd8653c6e42a460c597837d719db96 [0,1,0,0,0,1|1,0,0]=3 674 B14R1.515 C=CCN(CC(C)C)c1ccccc1 c5d57c601b18b40f5e3e40a49db600c7 [0,1,0,0,0,1|2,0,0]=4 675 B14R1.515 C=CC[C@@H](NC(C)C)c1ccccc1 dd6667112be27f1ceceba32d4e5a801a [0,1,0,0,0,1|1,0,0]=3 676 B14R1.515 CC(C)CC(NC=O)c1ccccc1 79b838588471675b60df3b2422915546 [0,1,0,0,0,1|0,0,0]=2 677 B14R1.515 CC(C)CC(NC=O)c1ccccn1 6bd7826e6cfb3ec640ceeb8a0b282c50 [0,1,0,0,0,1|1,0,0]=3 678 B14R1.515 CC(C)CC(NC=O)c1cccnc1 7ec106177091e113b4e1c191199ce1fe [0,1,0,0,0,1|1,0,0]=3 679 B14R1.515 CC(C)CC(NCF)c1ccccc1 147c0bc77852da3c3b32952dcd655d50 [0,1,0,0,0,1|1,0,1]=4 680 B14R1.515 CC(C)CC(NCO)c1ccccc1 a9a89d5ec4efd02459147537a1fbf929 [0,1,0,0,0,1|0,0,2]=4 681 B14R1.515 CC(C)CC(OCF)c1ccccc1 fb9515106cbd6a068bc0b49e96c3dd9c [0,1,0,0,0,1|1,0,1]=4 682 B14R1.515 CC(C)C[C@@H](NC=O)c1ccccc1 9d31085b797e3d8d4c29464b5adf5a3d [0,1,0,0,0,1|0,0,0]=2 683 B14R1.515 CC(C)C[C@@H](NCF)c1ccccc1 42873eba810bc5f2fed38bee90a04d07 [0,1,0,0,0,1|1,0,1]=4 684 B14R1.515 CC(C)C[C@@H](NCO)c1ccccc1 70b709beb1ec436bad6dfbb38e25988a [0,1,0,0,0,1|0,0,2]=4 685 B14R1.515 CC(C)C[C@H](NC=O)c1ccccc1 37c0f57df7d60cfe036dd58b34444ef2 [0,1,0,0,0,1|0,0,0]=2 686 B14R1.515 CC(C)C[C@H](NCF)c1ccccc1 7624e1085cc9e409adf38bf02946086e [0,1,0,0,0,1|1,0,1]=4 687 B14R1.515 CC(C)C[C@H](NCO)c1ccccc1 2cbb43252da391e201852e611dfc8a49 [0,1,0,0,0,1|0,0,2]=4 688 B14R1.515 CC(C)NC(CCO)c1ccccc1 d991e2c8c3fcf481b0c57cdc4a1f22e1 [0,1,0,0,0,1|0,0,2]=4 689 B14R1.515 CC(C)N[C@@H](CCO)c1ccccc1 5a159bdd493d5ff177edae23dcad48e6 [0,1,0,0,0,1|0,0,2]=4 690 B14R1.515 CC(C)N[C@H](CC#N)c1ccccc1 1a06225584006eee2bc67ea871793f61 [0,1,0,0,0,1|1,0,1]=4 691 B14R1.515 CC(C)N[C@H](CCO)c1ccccc1 ed7077124e888100b68a8549c00a8642 [0,1,0,0,0,1|0,0,2]=4 692 B14R1.515 CC(C)OC(CC#N)c1ccccc1 aaea55404441693ac04aaea0e00a91b1 [0,1,0,0,0,1|1,0,1]=4 693 B14R1.515 CCCC(NC(C)C)c1ccccc1 8354c5857171712ec3343a45b588b952 [0,1,0,0,0,1|1,0,1]=4 694 B14R1.515 CCCC(OC(C)C)c1ccccc1 4fd32d09c35f44e05b6839a88a32537a [0,1,0,0,0,1|1,0,1]=4 695 B14R1.515 CCC[C@@H](NC(C)C)c1ccccc1 9dc8d97c7860bc9e7f34d15aa9a76a7d [0,1,0,0,0,1|1,0,1]=4 696 B14R1.515 CCC[C@@H](OC(C)C)c1ccccc1 9deac3658945c9a999ace1bd45caab17 [0,1,0,0,0,1|1,0,1]=4 697 B14R1.515 CCC[C@H](NC(C)C)c1ccccc1 d220e92e7b3943c54c4e2b7eaaa2c23c [0,1,0,0,0,1|1,0,1]=4 698 B14R1.515 CCC[C@H](OC(C)C)c1ccccc1 6839d15cba8f9b6cef57775e1eb8adde [0,1,0,0,0,1|1,0,1]=4 699 B14R1.515 CCNC(CC(C)C)c1ccccc1 8ec63727e9fba5e6092c3dcc0b5ec35d [0,1,0,0,0,1|1,0,1]=4 700 B14R1.515 CCN[C@@H](CC(C)C)c1ccccc1 30afd29ee9bc71cd79cf8378f9146d43 [0,1,0,0,0,1|1,0,1]=4 701 B14R1.515 CCN[C@H](CC(C)C)c1ccccc1 36a03a9560f6458c8add8674c9944ece [0,1,0,0,0,1|1,0,1]=4 702 B14R1.515 CCOC(CC(C)C)c1ccccc1 07fc00b7ab97b4556120f028a7f2ef70 [0,1,0,0,0,1|1,0,1]=4 703 B14R1.515 CN(C)CC(NC=O)c1ccccc1 2e1529404f070613431f3665ca5a6b9f [0,1,0,0,0,1|1,0,0]=3 704 B14R1.515 CN(C)C[C@@H](NC=O)c1ccccc1 7482a5aa3405002ed258fd56ca8a7be9 [0,1,0,0,0,1|1,0,0]=3 705 B14R1.515 C[C@@H](O)CN(CC=O)c1ccccc1 caebf3d927d6954450a1eaacd63b0391 [0,1,0,0,0,1|2,0,0]=4 706 B14R1.544 C=CC(NC(C)(C)C)c1ccccc1 6ebccdabe5280d0a2d86c7c1d2ba0c44 [0,1,0,0,0,1|1,0,0]=3 707 B14R1.544 CC(C)(C)NC(C=O)c1ccccc1 ab79b5e2e020edb42f1317dbb3a89025 [0,1,0,0,0,1|0,0,0]=2 708 B14R1.544 CC(C)(O)CN(C=O)c1ccccc1 6885179826e2349896f5d5d136d2b0e2 [0,1,0,0,0,1|1,0,0]=3 709 B14R1.1019 C#CC(OC(C)C)c1ccc(cc1)C 1c732e5303643a6d00f5bf257a9a2beb [0,1,0,0,0,1|1,0,1]=4 710 B14R1.1019 C=CC(NC(C)C)c1ccc(cc1)Br 6168c98691aeb25ee32b911ea31c2af0 [0,1,0,0,0,1|1,0,0]=3 711 B14R1.1019 C=CC(NC(C)C)c1ccc(cc1)F 1e2868f79481e33760074359b5aeebcd [0,1,0,0,0,1|1,0,0]=3 712 B14R1.1019 C=CC(NC(C)C)c1ccc(cc1)I 548d134cef5aadbebfbfb18e9ddfa957 [0,1,0,0,0,1|1,0,0]=3 713 B14R1.1019 C=CC(OC(C)C)c1ccc(cc1)Br 4da150b3c158082485fcc280cb11792a [0,1,0,0,0,1|1,0,0]=3 714 B14R1.1019 C=CC(OC(C)C)c1ccc(cc1)C 8f76f175de87abc835c68c8cd4df33ec [0,1,0,0,0,1|1,0,0]=3 715 B14R1.1019 C=CC(OC(C)C)c1ccc(cc1)Cl b741b540cc3346bdbb0b38c3ff1a131a [0,1,0,0,0,1|1,0,0]=3 716 B14R1.1019 C=CC(OC(C)C)c1ccc(cc1)F 1e4e8dcce5b857f3901a5508af003573 [0,1,0,0,0,1|1,0,0]=3 717 B14R1.1019 CC(C)CN(C=O)c1ccc(cc1)Br 265ed7d6968e5c516c9ac215fb850ea1 [0,1,0,0,0,1|1,0,0]=3 718 B14R1.1019 CC(C)NC(C#N)c1ccc(cc1)F 0c1249b82185c54f095aec38ee1e7822 [0,1,0,0,0,1|1,0,1]=4 719 B14R1.1019 CC(C)NC(CO)c1ccc(cc1)Br 9713850f531ad93a9338a87cbe6bc5af [0,1,0,0,0,1|0,0,2]=4 720 B14R1.1019 CC(C)NC(CO)c1ccc(cc1)Cl 2e7aaa9e9ce1f28e0f4aef0c09965f67 [0,1,0,0,0,1|0,0,2]=4 721 B14R1.1019 CC(C)NC(CO)c1ccc(cc1)F 9d866f95b2bf90726ff44320b8ae7850 [0,1,0,0,0,1|0,0,2]=4 722 B14R1.1019 CC(C)N[C@@H](CO)c1ccc(cc1)Br ad45ef09dfc7f935838a39af31980de8 [0,1,0,0,0,1|0,0,2]=4 723 B14R1.1019 CC(C)N[C@@H](CO)c1ccc(cc1)Cl 115c5b27fdb692b7b50f8546201a3f5e [0,1,0,0,0,1|0,0,2]=4 724 B14R1.1019 CC(C)N[C@@H](CO)c1ccc(cc1)F 4d9cf7447aa86fcff374acb07ef3cb3f [0,1,0,0,0,1|0,0,2]=4 725 B14R1.1019 CC(C)N[C@H](CO)c1ccc(cc1)Br 29e544b4d19710fcb70746d5712fb47d [0,1,0,0,0,1|0,0,2]=4 726 B14R1.1019 CC(C)N[C@H](CO)c1ccc(cc1)Cl 01d4b7ac9a881112f8100df12f75647e [0,1,0,0,0,1|0,0,2]=4 727 B14R1.1019 CC(C)N[C@H](CO)c1ccc(cc1)F 1cbdd39ff92966461b0feee8ea22765d [0,1,0,0,0,1|0,0,2]=4 728 B14R1.1019 CCC(NC(C)C)c1ccc(cc1)Br d91febfc48204097c6f548f6c8147f4d [0,1,0,0,0,1|1,0,1]=4 729 B14R1.1019 CCC(NC(C)C)c1ccc(cc1)C 5ed6b5ba537370175e4570b7a8fec936 [0,1,0,0,0,1|1,0,1]=4 730 B14R1.1019 CCC(NC(C)C)c1ccc(cc1)Cl 07a5516846b9adc0652e3cb719361672 [0,1,0,0,0,1|1,0,1]=4 731 B14R1.1019 CCC(NC(C)C)c1ccc(cc1)F bd8150629540652012ace4930b975f54 [0,1,0,0,0,1|1,0,1]=4 732 B14R1.1019 CCC(OC(C)C)c1ccc(cc1)Br b12e1b9e5908c02c9453406d6ccafc87 [0,1,0,0,0,1|1,0,1]=4 733 B14R1.1019 CCC(OC(C)C)c1ccc(cc1)C 3a45e8eff5773e665d5d9cbb80cf7a32 [0,1,0,0,0,1|1,0,1]=4 734 B14R1.1019 CCC(OC(C)C)c1ccc(cc1)Cl 3112c73d44896bb527f969e0340e90f5 [0,1,0,0,0,1|1,0,1]=4 735 B14R1.1019 CCC(OC(C)C)c1ccc(cc1)F 03545b6d56f61afe47936bb2747ab0e1 [0,1,0,0,0,1|1,0,1]=4 736 B14R1.1019 CCC(OC(C)C)c1ccc(cc1)I 643844f6e14230a3307793600cc722fa [0,1,0,0,0,1|1,0,1]=4 737 B14R1.1019 CC[C@@H](NC(C)C)c1ccc(cc1)Br c2bea0b89b54223567f60bbc899448c2 [0,1,0,0,0,1|1,0,1]=4 738 B14R1.1019 CC[C@@H](NC(C)C)c1ccc(cc1)Cl 8ae29d09783934eb216feb56c27c87a2 [0,1,0,0,0,1|1,0,1]=4 739 B14R1.1019 CC[C@@H](NC(C)C)c1ccc(cc1)F 0cfccb44124a934b57fc3f39188c04da [0,1,0,0,0,1|1,0,1]=4 740 B14R1.1019 CC[C@H](NC(C)C)c1ccc(cc1)Br 3e2cd567182705a367a462f295d54552 [0,1,0,0,0,1|1,0,1]=4 741 B14R1.1019 CC[C@H](NC(C)C)c1ccc(cc1)Cl 137a39046712c9357ae7dc0700eaa3f2 [0,1,0,0,0,1|1,0,1]=4 742 B14R1.1019 CC[C@H](NC(C)C)c1ccc(cc1)F 41f61d21488a42fbb25f65d646ced898 [0,1,0,0,0,1|1,0,1]=4 743 B14R1.1019 CC[C@H](OC(C)C)c1ccc(cc1)F 44feded49d2e6d33ac34e8a213556b1a [0,1,0,0,0,1|1,0,1]=4 744 B14R1.1019 Cc1ccc(cc1)C(CO)NC(C)C 952af2194defa144d5577e4318824b4f [0,1,0,0,0,1|0,0,2]=4 745 B14R1.1019 Cc1ccc(cc1)N(C=O)CC(C)C 28d7cc4b3970abb6d11ff7776c55f770 [0,1,0,0,0,1|1,0,0]=3 746 B14R1.1019 Cc1ccc(cc1)[C@@H](CO)NC(C)C 8b70e487d313feed61542a2435e26454 [0,1,0,0,0,1|0,0,2]=4 747 B14R1.1019 Cc1ccc(cc1)[C@H](C#N)OC(C)C 927dd0136699c1f8e6f00e035cce7f6a [0,1,0,0,0,1|1,0,1]=4 748 B14R1.1019 Cc1ccc(cc1)[C@H](CO)NC(C)C d0a0bff671e2d6539f2e7caa8f58d1e8 [0,1,0,0,0,1|0,0,2]=4 749 B14R1.1020 C#CC(OC(C)C)c1cccc(c1)C 72032877cc95ad19e772a5d90a8b716a [0,1,0,0,0,1|1,0,1]=4 750 B14R1.1020 C#CC(OC(C)C)c1cccc(c1)Cl a31c374820cf2487d15b4d36263a5145 [0,1,0,0,0,1|1,0,1]=4 751 B14R1.1020 C#CC(OC(C)C)c1cccc(c1)F 3bf758321a938978a7fc51730f9dbb73 [0,1,0,0,0,1|1,0,1]=4 752 B14R1.1020 C=CC(OC(C)C)c1cccc(c1)Cl 686dfc5e2fffcd2073758cb1b5d74fef [0,1,0,0,0,1|1,0,0]=3 753 B14R1.1020 C=CC(OC(C)C)c1cccc(c1)F b9ca451ec85d694c61b1cc62727f1477 [0,1,0,0,0,1|1,0,0]=3 754 B14R1.1020 C=CC(OC(C)C)c1cncc(c1)Cl 9e6abf4ec11dc1947c1fc0c0ef6a0d19 [0,1,0,0,0,1|2,0,0]=4 755 B14R1.1020 CC(C)NC(C#N)c1cccc(c1)Cl 4e201dc65ee413652eef9e2265fca242 [0,1,0,0,0,1|1,0,1]=4 756 B14R1.1020 CCC(NC(C)C)c1cccc(c1)C 11109bebab0b17dfbd7dc9e93106f1f6 [0,1,0,0,0,1|1,0,1]=4 757 B14R1.1020 CCC(OC(C)C)c1cccc(c1)Br b0888360b4deb4b6259f23c88938e544 [0,1,0,0,0,1|1,0,1]=4 758 B14R1.1020 CCC(OC(C)C)c1cccc(c1)Cl d2ba6c62f2fcfc14568b5fc705e24c9f [0,1,0,0,0,1|1,0,1]=4 759 B14R1.1020 CCC(OC(C)C)c1cccc(c1)F 27de292e8228f10adb191e80ce24cb1b [0,1,0,0,0,1|1,0,1]=4 760 B14R1.1020 CCC(OC(C)C)c1cccc(c1)I fd99617aa4838e164754d485cf114fc6 [0,1,0,0,0,1|1,0,1]=4 761 B14R1.1020 CC[C@@H](NC(C)C)c1cccc(c1)C f9ecf5aecd9d2d89a0dd472c060540da [0,1,0,0,0,1|1,0,1]=4 762 B14R1.1020 Cc1cccc(c1)C(CO)NC(C)C 54e920e6eeb934916e6b3e79479e1be0 [0,1,0,0,0,1|0,0,2]=4 763 B14R1.1020 Cc1cccc(c1)[C@@H](CO)NC(C)C 0dbfd319f9d861b32ad7c6d78f113dee [0,1,0,0,0,1|0,0,2]=4 764 B14R1.1020 Cc1cccc(c1)[C@H](CO)NC(C)C 05eebbc0bc38ef14323b296acdfbe06d [0,1,0,0,0,1|0,0,2]=4 765 B14R1.1027 C=CC(c1ccccc1)N(C)C(C)C 5cd6f8af9a342a17001ee7b0f8286a01 [0,1,0,0,0,1|1,0,0]=3 766 B14R1.1027 CC(C)N(C)C(C#N)c1ccccc1 5e7afc72629037676d0e0f5576ea4f16 [0,1,0,0,0,1|1,0,1]=4 767 B14R1.1027 CC(C)N(C)C(C=O)c1ccccc1 f3ba5a1b229480df3b2f669de5066365 [0,1,0,0,0,1|0,0,0]=2 768 B14R1.1027 CC(C)N(C)C(CO)c1ccccc1 a41363d8e7672d661ab76d49d5dfa341 [0,1,0,0,0,1|0,0,2]=4 769 B14R1.1027 CC(C)N(C)[C@@H](CO)c1ccccc1 5c675da79a58f22254819fff159e732e [0,1,0,0,0,1|0,0,2]=4 770 B14R1.1027 CC(C)N(C)[C@H](CO)c1ccccc1 93eead6c42b323aa7e4f8390663734f9 [0,1,0,0,0,1|0,0,2]=4 771 B14R1.1027 CCC(c1ccccc1)N(C)C(C)C 9f8582c2d1307df724f5d1ed06f64b39 [0,1,0,0,0,1|1,0,1]=4 772 B14R1.3297 C#CC(C)NC(C=C)c1ccccc1 432a3837a2530501f784732ee24b257c [0,1,0,0,0,1|1,0,1]=4 773 B14R1.3297 C#CC(C)NC(C=O)c1ccccc1 77d7e012532f817472b7f2348d14bb58 [0,1,0,0,0,1|0,0,1]=3 774 B14R1.3297 C#CC(C)N[C@@H](C=C)c1ccccc1 fa1396267ace11e3a3342046bdcdcedc [0,1,0,0,0,1|1,0,1]=4 775 B14R1.3297 C#CC(C)N[C@H](C=C)c1ccccc1 c81c754e92ee44e10fde93df97939787 [0,1,0,0,0,1|1,0,1]=4 776 B14R1.3297 C#CC(C)OC(C=C)c1ccccc1 e10106ffa727954058175a47de012985 [0,1,0,0,0,1|1,0,1]=4 777 B14R1.3297 C#CC(C)OC(C=O)c1ccccc1 2b16ced9f981fb3f794a3c5161035034 [0,1,0,0,0,1|0,0,1]=3 778 B14R1.3297 C#CC(OC(C)CC)c1ccccc1 58ea702665db5a075be7b4afa5724d30 [0,1,0,0,0,1|1,0,1]=4 779 B14R1.3297 C#C[C@@H](C)NC(C=C)c1ccccc1 36e22d35b6ed631de22c78b4b912d597 [0,1,0,0,0,1|1,0,1]=4 780 B14R1.3297 C#C[C@@H](C)NC(C=O)c1ccccc1 6144711dc9ce266b8761e110131a7a68 [0,1,0,0,0,1|0,0,1]=3 781 B14R1.3297 C#C[C@@H](C)OC(C=C)c1ccccc1 184a60a0514122af08932df44e36928d [0,1,0,0,0,1|1,0,1]=4 782 B14R1.3297 C#C[C@@H](C)OC(C=O)c1ccccc1 87c63a8c9c60be4a5da1f883473ea354 [0,1,0,0,0,1|0,0,1]=3 783 B14R1.3297 C#C[C@@H](OC(C)CC)c1ccccc1 351d865befec81a3397805dd451b1c46 [0,1,0,0,0,1|1,0,1]=4 784 B14R1.3297 C#C[C@H](C)NC(C=C)c1ccccc1 ec52816b522e24edcf12014e0c0b7ba1 [0,1,0,0,0,1|1,0,1]=4 785 B14R1.3297 C#C[C@H](C)NC(C=O)c1ccccc1 c94ac4b885753215d64be4c816669a05 [0,1,0,0,0,1|0,0,1]=3 786 B14R1.3297 C#C[C@H](C)OC(C=C)c1ccccc1 322694ef33520c061a9068cee1caded5 [0,1,0,0,0,1|1,0,1]=4 787 B14R1.3297 C#C[C@H](C)OC(C=O)c1ccccc1 b45e96dd3846cf02eb9ec5ccc6770e98 [0,1,0,0,0,1|0,0,1]=3 788 B14R1.3297 C#C[C@H](OC(C)CC)c1ccccc1 00f4d928ddde554f9c28e29ca52871d7 [0,1,0,0,0,1|1,0,1]=4 789 B14R1.3297 C=CC(C)NC(C=C)c1ccccc1 98076a6e7eafa67e4f6102e8b9c93b53 [0,1,0,0,0,1|1,0,1]=4 790 B14R1.3297 C=CC(C)N[C@@H](C=C)c1ccccc1 72fa221419324c66f33f1af544eeae4a [0,1,0,0,0,1|1,0,1]=4 791 B14R1.3297 C=CC(C)N[C@H](C=C)c1ccccc1 35742197a0ebb0de14abaa011dd13238 [0,1,0,0,0,1|1,0,1]=4 792 B14R1.3297 C=CC(C)OC(C=C)c1ccccc1 175d0670e3428d16e86693248a8ab29a [0,1,0,0,0,1|1,0,1]=4 793 B14R1.3297 C=CC(C)OC(C=O)c1ccccc1 41aa326e0bd08b8408ec0b05843a91dd [0,1,0,0,0,1|0,0,1]=3 794 B14R1.3297 C=CC(NC(C)C#N)c1ccccc1 ab4a7d9e503f9a9bdf74ef95b298f8ef [0,1,0,0,0,1|1,0,1]=4 795 B14R1.3297 C=CC(NC(C)C=O)c1ccccc1 c4cda2c3b39150149e2b1c7c8fcbca40 [0,1,0,0,0,1|1,0,1]=4 796 B14R1.3297 C=CC(NC(C)CC)c1ccccc1 c7876fb56a81619e5e8030548dee5423 [0,1,0,0,0,1|1,0,0]=3 797 B14R1.3297 C=CC(NC(C)CO)c1ccccc1 96597bf46ad91dc6c35ac8df6dc65ff4 [0,1,0,0,0,1|1,0,0]=3 798 B14R1.3297 C=CC(N[C@@H](C)CC)c1ccccc1 58ebc5772ef8b66326daa200efe70aaa [0,1,0,0,0,1|1,0,0]=3 799 B14R1.3297 C=CC(N[C@@H](C)CO)c1ccccc1 3303a9d4fad8c3b392d7265a65e1f03e [0,1,0,0,0,1|1,0,0]=3 800 B14R1.3297 C=CC(N[C@H](C)C=O)c1ccccc1 c3848bea054129c23606152eabc3bdbf [0,1,0,0,0,1|1,0,1]=4 801 B14R1.3297 C=CC(N[C@H](C)CC)c1ccccc1 5aee508d0d9c13c429e70906f4eb9f5a [0,1,0,0,0,1|1,0,0]=3 802 B14R1.3297 C=CC(N[C@H](C)CO)c1ccccc1 d20766e5545cd43236742f69c11e20a7 [0,1,0,0,0,1|1,0,0]=3 803 B14R1.3297 C=CC(OC(C)C#N)c1ccccc1 71506c255947d7b48b09989becdea7ba [0,1,0,0,0,1|1,0,1]=4 804 B14R1.3297 C=CC(OC(C)C=O)c1ccccc1 12979e2822404ade1238e91ca2f335d2 [0,1,0,0,0,1|1,0,1]=4 805 B14R1.3297 C=CC(OC(C)CC)c1ccccc1 a3cddb626c91dc73fa2383fc4ee7e0ce [0,1,0,0,0,1|1,0,0]=3 806 B14R1.3297 C=CC(OC(C)CF)c1ccccc1 d6e0dc117a8655c84a71b8705477ade3 [0,1,0,0,0,1|1,0,0]=3 807 B14R1.3297 C=CC(OC(C)CS)c1ccccc1 3f5a5c2769457ee309cd7d64cbe9dcd9 [0,1,0,0,0,1|1,0,0]=3 808 B14R1.3297 C=CC(O[C@@H](C)C=C)c1ccccc1 e4c110ed93852dbc328eb3f9f76f90cb [0,1,0,0,0,1|1,0,1]=4 809 B14R1.3297 C=CC(O[C@@H](C)CC)c1ccccc1 db4ad1db847246830a689857efde2e24 [0,1,0,0,0,1|1,0,0]=3 810 B14R1.3297 C=CC(O[C@H](C)C=O)c1ccccc1 5a2afb4a3cac3487921eb2f8cb36c0f1 [0,1,0,0,0,1|1,0,1]=4 811 B14R1.3297 C=CC(O[C@H](C)CC)c1ccccc1 8d454071b0472f3cc54feb7cc490c9d1 [0,1,0,0,0,1|1,0,0]=3 812 B14R1.3297 C=CC(O[C@H](C)CS)c1ccccc1 8291257fdde411ef24c6ecb29fde81fe [0,1,0,0,0,1|1,0,0]=3 813 B14R1.3297 C=C[C@@H](NC(C)C#N)c1ccccc1 13435237738466d8659bb5df5a378c1c [0,1,0,0,0,1|1,0,1]=4 814 B14R1.3297 C=C[C@@H](NC(C)C=O)c1ccccc1 6dd911d69a1e35408e81868e228d3d3a [0,1,0,0,0,1|1,0,1]=4 815 B14R1.3297 C=C[C@@H](NC(C)CC)c1ccccc1 8487a12b8d74010aaf442386ed97bf61 [0,1,0,0,0,1|1,0,0]=3 816 B14R1.3297 C=C[C@@H](NC(C)CO)c1ccccc1 b84e040a1abb11dd2651e06719bc0aaa [0,1,0,0,0,1|1,0,0]=3 817 B14R1.3297 C=C[C@@H](N[C@@H](C)CO)c1ccccc1 5625659f35fafcb502b3d31ac0bc5825 [0,1,0,0,0,1|1,0,0]=3 818 B14R1.3297 C=C[C@@H](N[C@H](C)C=O)c1ccccc1 8dbac2d6bbd5a8efad90b76e384cfe43 [0,1,0,0,0,1|1,0,1]=4 819 B14R1.3297 C=C[C@@H](N[C@H](C)CO)c1ccccc1 2df6c6f01f5789debf2db4f9536c8f94 [0,1,0,0,0,1|1,0,0]=3 820 B14R1.3297 C=C[C@H](C)OC(C=O)c1ccccc1 d7a00501bbe0eb2973d38b93ea278001 [0,1,0,0,0,1|0,0,1]=3 821 B14R1.3297 C=C[C@H](NC(C)C#N)c1ccccc1 d31b389889933be83766109eb6a2d006 [0,1,0,0,0,1|1,0,1]=4 822 B14R1.3297 C=C[C@H](NC(C)C=O)c1ccccc1 2c85f81851f4b26cb6745c5b1de2aba3 [0,1,0,0,0,1|1,0,1]=4 823 B14R1.3297 C=C[C@H](NC(C)CC)c1ccccc1 42701e16f1aff02a368d302b8e37eeee [0,1,0,0,0,1|1,0,0]=3 824 B14R1.3297 C=C[C@H](NC(C)CO)c1ccccc1 5b2865833d156da69d5e6d5a5c751421 [0,1,0,0,0,1|1,0,0]=3 825 B14R1.3297 C=C[C@H](N[C@@H](C)CO)c1ccccc1 7764ebdfbad9826c681b27715bfd761d [0,1,0,0,0,1|1,0,0]=3 826 B14R1.3297 C=C[C@H](N[C@H](C)C=O)c1ccccc1 00a20d7a6020d250e4593a6f52a46c89 [0,1,0,0,0,1|1,0,1]=4 827 B14R1.3297 C=C[C@H](N[C@H](C)CO)c1ccccc1 e6f60b6ada393b7f1f81254dbe2879e2 [0,1,0,0,0,1|1,0,0]=3 828 B14R1.3297 CC(C#N)NC(C=O)c1ccccc1 18d02883d90002a0769edcbfcfda6d1a [0,1,0,0,0,1|0,0,1]=3 829 B14R1.3297 CC(C=O)OC(C=O)c1ccccc1 26ac06dd3634364c03b82aa5367c9bd6 [0,1,0,0,0,1|0,0,1]=3 830 B14R1.3297 CC(CF)OC(C=O)c1ccccc1 52364a6700e439b06b0fb1c9de3d427e [0,1,0,0,0,1|0,0,0]=2 831 B14R1.3297 CC(CO)NC(C#N)c1ccccc1 c97392c656ba685ddee46582a55ad159 [0,1,0,0,0,1|1,0,1]=4 832 B14R1.3297 CC(CO)NC(C=O)c1ccccc1 b1bff2f32a35cac769196b68246bc460 [0,1,0,0,0,1|0,0,0]=2 833 B14R1.3297 CC(CO)NC(CO)c1ccccc1 57c29504789fd1e11897c301b5c6e83e [0,1,0,0,0,1|0,0,2]=4 834 B14R1.3297 CC(CO)N[C@@H](CF)c1ccccc1 948a9143284fee5fbef89b6fe313511c [0,1,0,0,0,1|1,0,1]=4 835 B14R1.3297 CC(CO)N[C@@H](CO)c1ccccc1 decfa5fb62b11b7dbd331c51431c589b [0,1,0,0,0,1|0,0,2]=4 836 B14R1.3297 CC(CO)N[C@H](CO)c1ccccc1 a5efda3bb1a61692fe0e150b10a2ae4b [0,1,0,0,0,1|0,0,2]=4 837 B14R1.3297 CCC(C)NC(C#N)c1ccccc1 fcd9b17bee2262dcd1c19d3b28aba2df [0,1,0,0,0,1|1,0,1]=4 838 B14R1.3297 CCC(C)NC(C=O)c1ccccc1 99660b0977e6745d1a0894680ba799ec [0,1,0,0,0,1|0,0,0]=2 839 B14R1.3297 CCC(C)NC(CC)c1ccccc1 47958d3b0b58748c7a6dd3b29de31b8c [0,1,0,0,0,1|1,0,1]=4 840 B14R1.3297 CCC(C)NC(CO)c1ccccc1 1dc30b068223a36404a4eba662bddd91 [0,1,0,0,0,1|0,0,2]=4 841 B14R1.3297 CCC(C)N[C@@H](CC)c1ccccc1 31938c0a9d7ed4d6d9afc04365eda354 [0,1,0,0,0,1|1,0,1]=4 842 B14R1.3297 CCC(C)N[C@@H](CF)c1ccccc1 090dd38669f212ca640f422a418eeeee [0,1,0,0,0,1|1,0,1]=4 843 B14R1.3297 CCC(C)N[C@@H](CO)c1ccccc1 5596269bee25fbecb570ec9a47d21621 [0,1,0,0,0,1|0,0,2]=4 844 B14R1.3297 CCC(C)N[C@H](CC)c1ccccc1 f73704b7b5170d6080da8fae5516de0d [0,1,0,0,0,1|1,0,1]=4 845 B14R1.3297 CCC(C)N[C@H](CO)c1ccccc1 9bf24e53354b6fa5a111eea74809625e [0,1,0,0,0,1|0,0,2]=4 846 B14R1.3297 CCC(C)OC(C#N)c1ccccc1 6998abb9ac6857f7d86e9517feb92b75 [0,1,0,0,0,1|1,0,1]=4 847 B14R1.3297 CCC(C)OC(C=O)c1ccccc1 bae862ae502a35078e206f063074729c [0,1,0,0,0,1|0,0,0]=2 848 B14R1.3297 CCC(C)OC(CC)c1ccccc1 9cfb25338b60ca136478aec192b4e403 [0,1,0,0,0,1|1,0,1]=4 849 B14R1.3297 CCC(C)OC(CF)c1ccccc1 aba669f1144b3ae9e44c5520f0b5cb36 [0,1,0,0,0,1|1,0,1]=4 850 B14R1.3297 CCC(C)O[C@@H](C#N)c1ccccc1 ae26afe15357f2925fe00020b1d50b92 [0,1,0,0,0,1|1,0,1]=4 851 B14R1.3297 CCC(C)O[C@@H](CC)c1ccccc1 bf14b951a9fa828d225ec4e497e25adb [0,1,0,0,0,1|1,0,1]=4 852 B14R1.3297 CCC(C)O[C@H](CC)c1ccccc1 39ff3b86ae00c84723a01da13ed80c7b [0,1,0,0,0,1|1,0,1]=4 853 B14R1.3297 CCC(C)O[C@H](CF)c1ccccc1 00034dd3e1872667362f6e185b830056 [0,1,0,0,0,1|1,0,1]=4 854 B14R1.3297 CCC(NC(C)CO)c1ccccc1 70f08097b226a7a0bbb4c79a3538f55d [0,1,0,0,0,1|1,0,1]=4 855 B14R1.3297 CCC(N[C@@H](C)CC)c1ccccc1 6364e989ceb17da39b4ae3d586d20490 [0,1,0,0,0,1|1,0,1]=4 856 B14R1.3297 CCC(N[C@@H](C)CO)c1ccccc1 cccf11819590420c883d50fc22cfcb54 [0,1,0,0,0,1|1,0,1]=4 857 B14R1.3297 CCC(N[C@H](C)CC)c1ccccc1 b7cd0a8c746d6a4cad36d06356929688 [0,1,0,0,0,1|1,0,1]=4 858 B14R1.3297 CCC(N[C@H](C)CO)c1ccccc1 b2fd2fc9fe065227e3c18d5fa6da2eea [0,1,0,0,0,1|1,0,1]=4 859 B14R1.3297 CCC(OC(C)CF)c1ccccc1 b04270fc7c7460e42cb9fea2f16ebddf [0,1,0,0,0,1|1,0,1]=4 860 B14R1.3297 CCC(OC(C)CS)c1ccccc1 01449c8d803f1b85cbc6af3f91f710b4 [0,1,0,0,0,1|1,0,1]=4 861 B14R1.3297 CCC(O[C@@H](C)CC)c1ccccc1 d70114a7ff0ceda15fbfd9fc03eb39e5 [0,1,0,0,0,1|1,0,1]=4 862 B14R1.3297 CCC(O[C@H](C)CC)c1ccccc1 7e77be5d7a2b13d4a9d6ad87f3aa14c8 [0,1,0,0,0,1|1,0,1]=4 863 B14R1.3297 CCC(O[C@H](C)CS)c1ccccc1 88763ac1a782cec0acdfde81e918bb15 [0,1,0,0,0,1|1,0,1]=4 864 B14R1.3297 CC[C@@H](C)NC(C=O)c1ccccc1 b06793a68f51c67c22349c8e92537df3 [0,1,0,0,0,1|0,0,0]=2 865 B14R1.3297 CC[C@@H](C)OC(C=O)c1ccccc1 dc46d7ddf963cbd62673d4e2cf4c0afa [0,1,0,0,0,1|0,0,0]=2 866 B14R1.3297 CC[C@H](C)NC(C=O)c1ccccc1 f82b5cfce35c12ac735b4e6b3fb51a49 [0,1,0,0,0,1|0,0,0]=2 867 B14R1.3297 CC[C@H](C)OC(C=O)c1ccccc1 241643d876ba3409a7469ef5f3bc7e7b [0,1,0,0,0,1|0,0,0]=2 868 B14R1.3297 C[C@@H](CO)NC(C#N)c1ccccc1 e2fbb46bf4487cd8712ebb349c2bd4fe [0,1,0,0,0,1|1,0,1]=4 869 B14R1.3297 C[C@@H](CO)NC(C=O)c1ccccc1 d5007021dfa75d334f9b1adcd86c8cb6 [0,1,0,0,0,1|0,0,0]=2 870 B14R1.3297 C[C@H](CO)NC(C#N)c1ccccc1 0aeddf852143a02075ee7ecb950fea69 [0,1,0,0,0,1|1,0,1]=4 871 B14R1.3297 C[C@H](CO)NC(C=O)c1ccccc1 ab2dd3ab1cffa922556996b5b7100f13 [0,1,0,0,0,1|0,0,0]=2 872 B14R1.3642 CC(C)OC(C)(C=O)c1ccccc1 a94965370c42c40c6973ba8ddb3d77c6 [0,1,0,0,0,1|0,0,0]=2 873 B14R1.3642 CCC(C)(OC(C)C)c1ccccc1 3943130d1b233c175689f1baf2d256a0 [0,1,0,0,0,1|1,0,1]=4 874 B14R1.3642 CC[C@@](C)(OC(C)C)c1ccccc1 b9503e68dcfbc5f8939d1504c4756607 [0,1,0,0,0,1|1,0,1]=4 875 B14R1.3642 CC[C@](C)(OC(C)C)c1ccccc1 022dc9cbf83b55b098158e5ecd216cdf [0,1,0,0,0,1|1,0,1]=4 876 B14R1.6455 CC(=O)C(OC(C)C)c1ccccc1 213889392ac43432ef3c7d49f1ae3157 [0,1,0,0,0,1|0,0,0]=2 877 B14R1.6455 CC(=O)N(C[C@@H](C)O)c1ccccc1 c53760cbac5c26e47399891b01183e8c [0,1,0,0,0,1|2,0,0]=4 878 B14R1.6455 CC(=O)NC(C(=O)N)c1ccccc1 d35cbd6423b50b56ef6bbe9f25d65227 [0,1,0,0,0,1|1,0,1]=4 879 B14R1.6455 CC(=O)N[C@@H](C(=O)N)c1ccccc1 0c1cd7a02e56c878615c13b8c00c189f [0,1,0,0,0,1|1,0,1]=4 880 B14R1.6455 CC(=O)N[C@H](C(=O)N)c1ccccc1 3602f9f74db667dbb781ee0c8b6bdb42 [0,1,0,0,0,1|1,0,1]=4 881 B14R1.6455 CC(C)NC(C(=O)N)c1ccccc1 e53ee9872e6915265abcdc6352a3f790 [0,1,0,0,0,1|0,0,0]=2 882 B14R1.6455 CC(C)NC(C(=O)N)c1ccncc1 db2b7da108f8ad9af02d7850cd0929b2 [0,1,0,0,0,1|1,0,0]=3 883 B14R1.6455 CC(C)NC(C(=O)O)c1ccccc1 a7455118c78ddd49aaa62b61d30af412 [0,1,0,0,0,1|0,0,0]=2 884 B14R1.6455 CC(C)NC(C(=O)O)c1ccccn1 87b71f5c9ac6bb9660699ee0202b2298 [0,1,0,0,0,1|1,0,0]=3 885 B14R1.6455 CC(C)NC(C(=O)O)c1cccnc1 c0f58f1a48da36c51791544ae021b911 [0,1,0,0,0,1|1,0,0]=3 886 B14R1.6455 CC(C)NC(C(=O)O)c1cnccn1 2c105334bb51015f61e4cba6b1d9ea92 [0,1,0,0,0,1|2,0,0]=4 887 B14R1.6455 CC(C)NC(c1ccccc1)C(C)C 971f848cff5283bdbcff3c9c8a690e3a [0,1,0,0,0,1|1,0,1]=4 888 B14R1.6455 CC(C)N[C@@H](C(=O)N)c1ccccc1 b49b2874735b7751297784a9e42e8ad9 [0,1,0,0,0,1|0,0,0]=2 889 B14R1.6455 CC(C)N[C@@H](C(=O)O)C1=CCC=CC1 524fd52a37b6254bf1cea43b5054c4b8 [0,1,0,0,0,1|0,0,2]=4 890 B14R1.6455 CC(C)N[C@@H](C(=O)O)c1ccccc1 dc286ef6a2e88ce2496f8de4e31b4caa [0,1,0,0,0,1|0,0,0]=2 891 B14R1.6455 CC(C)N[C@@H](c1ccccc1)C(C)C 0bc9f08042a2a1db966350e42f5d4f0d [0,1,0,0,0,1|1,0,1]=4 892 B14R1.6455 CC(C)N[C@H](C(=O)N)c1ccccc1 dc526ed811eb55a0df3fc2be0fd2f397 [0,1,0,0,0,1|0,0,0]=2 893 B14R1.6455 CC(C)N[C@H](C(=O)O)c1ccccc1 4e003da8850e5f352a12442ada45681e [0,1,0,0,0,1|0,0,0]=2 894 B14R1.6455 CC(C)N[C@H](c1ccccc1)C(C)C 39d4c3ab290f87d6d9f99a31801da5c0 [0,1,0,0,0,1|1,0,1]=4 895 B14R1.6455 CC(C)OC(C(=O)N)c1ccccc1 2a88a78e8aef49ce8201bb1f6f61fc7d [0,1,0,0,0,1|0,0,0]=2 896 B14R1.6455 CC(C)OC(C(=O)O)c1ccccc1 1cb5c5d489d77e7adc21cbc2f8fd4d4c [0,1,0,0,0,1|0,0,0]=2 897 B14R1.6455 CC(C)OC(C(=O)O)c1cccnc1 2cecc6c6e477f33606355ded4d2b8e9d [0,1,0,0,0,1|1,0,0]=3 898 B14R1.6455 CC(C)OC(C(=O)O)c1ccncc1 87d7780ce8c4176cf845293a5b66f8ed [0,1,0,0,0,1|1,0,0]=3 899 B14R1.6455 CC(C)O[C@@H](C(=O)N)c1ccccc1 8b37fb9ea9f269ca1b6fa18a895cf2c9 [0,1,0,0,0,1|0,0,0]=2 900 B14R1.6455 CC(C)O[C@@H](C(=O)O)c1ccccc1 2fd2ca2f47216a811c1f65b622a341a4 [0,1,0,0,0,1|0,0,0]=2 901 B14R1.6455 CC(C)O[C@H](C(=O)N)c1ccccc1 918d90a3b84d06800ba9994db706571a [0,1,0,0,0,1|0,0,0]=2 902 B14R1.6455 CC(C)O[C@H](C(=O)O)c1ccccc1 6b69fd3ce186706c14e24ab517a19dd2 [0,1,0,0,0,1|0,0,0]=2 903 B14R1.6474 C#CC(OC(C)C)c1ccccc1F 3d4e250d6e6a7839b1ec45bb0a5c9914 [0,1,0,0,0,1|1,0,1]=4 904 B14R1.6474 C=CC(OC(C)C)c1ccccc1C eefbe43dfc1aab9095996a70a8cf56ef [0,1,0,0,0,1|1,0,0]=3 905 B14R1.6474 C=CC(OC(C)C)c1ccccc1Cl 6d6c3c78a83587e88cd4629115d91bb5 [0,1,0,0,0,1|1,0,0]=3 906 B14R1.6474 C=CC(OC(C)C)c1ccccc1F 77891aa4e3ee0ae368aef7ffb1b60bd7 [0,1,0,0,0,1|1,0,0]=3 907 B14R1.6474 CC(C)CN(C=O)c1ccccc1Cl 1967629c112c43097d321742504bd58b [0,1,0,0,0,1|1,0,0]=3 908 B14R1.6474 CC(C)NC(CO)c1ccccc1Cl 82b579c731e86ee0a69fa286947461b7 [0,1,0,0,0,1|0,0,2]=4 909 B14R1.6474 CC(C)NC(CO)c1ccccc1F e26ea4583e0b74e12bd1359eb2bd1373 [0,1,0,0,0,1|0,0,2]=4 910 B14R1.6474 CC(C)N[C@@H](CO)c1ccccc1Cl 8d50cfd8d3be5aacb50d95cf4dd626fc [0,1,0,0,0,1|0,0,2]=4 911 B14R1.6474 CC(C)N[C@@H](CO)c1ccccc1F d575085ca270335157507d28a4ab3ced [0,1,0,0,0,1|0,0,2]=4 912 B14R1.6474 CC(C)N[C@H](CO)c1ccccc1Cl 6e5f5cee8744adf7882709acb9b4af74 [0,1,0,0,0,1|0,0,2]=4 913 B14R1.6474 CC(C)N[C@H](CO)c1ccccc1F 070f784a3b7ab62446c5a1ec37e2c54c [0,1,0,0,0,1|0,0,2]=4 914 B14R1.6474 CCC(NC(C)C)c1ccccc1C 197eb5ceab915cf907d0d48e417cc440 [0,1,0,0,0,1|1,0,1]=4 915 B14R1.6474 CCC(NC(C)C)c1ccccc1Cl c9fb3c21381d6fbfa468a91ab33e9572 [0,1,0,0,0,1|1,0,1]=4 916 B14R1.6474 CCC(NC(C)C)c1ccccc1F dfb95829add7355554fada980543c328 [0,1,0,0,0,1|1,0,1]=4 917 B14R1.6474 CCC(OC(C)C)c1ccccc1Cl 401aff9698bf49c14b65e1b57d49f117 [0,1,0,0,0,1|1,0,1]=4 918 B14R1.6474 CCC(OC(C)C)c1ccccc1F 6fcc4fc497699ce44aed09773128c36e [0,1,0,0,0,1|1,0,1]=4 919 B14R1.6474 CCC(OC(C)C)c1ccccc1I f3d61bcf0c7c94cf4292bf07f4ea01fd [0,1,0,0,0,1|1,0,1]=4 920 B14R1.6474 CC[C@H](NC(C)C)c1ccccc1F 4cc3f76f1300c31cda67c80db89edea4 [0,1,0,0,0,1|1,0,1]=4 921 B14R1.6474 Cc1ccccc1C(C#N)NC(C)C 60290c2129fb14fbf42f7f95d54feb89 [0,1,0,0,0,1|1,0,1]=4 922 B14R1.6474 Cc1ccccc1C(CO)NC(C)C 63a30060449e1529a2c8434d979dd68f [0,1,0,0,0,1|0,0,2]=4 923 B14R1.6474 Cc1ccccc1[C@H](CO)NC(C)C cd5bb4d539f5f6b0652bc97b87844ad8 [0,1,0,0,0,1|0,0,2]=4 924 B14R1.178 C#CCNC(c1ccccc1)C(C)C bd8ed92aa3df6062aadf7dc9a0772c20 [0,2,0,0,0,0|1,0,1]=4 925 B14R1.178 C#CCN[C@@H](c1ccccc1)C(C)C 1f9034e7d7cfd7626082543afe69aedc [0,2,0,0,0,0|1,0,1]=4 926 B14R1.178 C#CCN[C@H](c1ccccc1)C(C)C c563b0b37f3af463ab6c1f3511156fd9 [0,2,0,0,0,0|1,0,1]=4 927 B14R1.178 C/C=C/CN(c1ccccc1)C(C)C f2c9148a4f25a8d6bf2835ef6539e0e3 [0,2,0,0,0,0|2,0,0]=4 928 B14R1.178 C/C=C\CN(c1ccccc1)C(C)C e943d067a726c4370afa9ee0cb88b826 [0,2,0,0,0,0|2,0,0]=4 929 B14R1.178 C=CCCN(c1ccccc1)C(C)C 1e447c1d22a2907f59f17282a38f1df9 [0,2,0,0,0,0|2,0,0]=4 930 B14R1.178 C=CCNC(c1ccccc1)C(C)C 23d352df1fa5465bd78d1350beb48996 [0,2,0,0,0,0|1,0,0]=3 931 B14R1.178 C=CCNC(c1ccccc1)C(C)O 6d7eb347d7eb5e9cfc016a49d031434e [0,2,0,0,0,0|2,0,0]=4 932 B14R1.178 C=CCNC(c1ccccn1)C(C)C 7b7d1307e13840f4a4020ced5e2f5481 [0,2,0,0,0,0|2,0,0]=4 933 B14R1.178 C=CCNC(c1cccnc1)C(C)C 804ef21ebca3e67567b869d01ae29681 [0,2,0,0,0,0|2,0,0]=4 934 B14R1.178 C=CCNC(c1ccncc1)C(C)C fd9428093b52b78e8fed2dc634cabec7 [0,2,0,0,0,0|2,0,0]=4 935 B14R1.178 C=CCN[C@@H](c1ccccc1)C(C)C ce7e1927e359a7f836e3ade4dc255fd9 [0,2,0,0,0,0|1,0,0]=3 936 B14R1.178 C=CCN[C@@H](c1ccccc1)[C@@H](C)O 60bc4dd6780780662e7403120081ae40 [0,2,0,0,0,0|2,0,0]=4 937 B14R1.178 C=CCN[C@@H](c1ccccn1)C(C)C 8273f676aa3ce2ce7e4589c2d46efb98 [0,2,0,0,0,0|2,0,0]=4 938 B14R1.178 C=CCN[C@H](c1ccccc1)C(C)C 1b999dabd199b481250000cb9b984b76 [0,2,0,0,0,0|1,0,0]=3 939 B14R1.178 C=CCN[C@H](c1ccccc1)[C@H](C)O fc91f409199391d45f9d904f378204a6 [0,2,0,0,0,0|2,0,0]=4 940 B14R1.178 C=CCN[C@H](c1ccccn1)C(C)C 948f016503b5d5284827c299209968ed [0,2,0,0,0,0|2,0,0]=4 941 B14R1.178 C=CCOC(c1cccnc1)C(C)C 39628412d0f96523462b1ad5958d3b7d [0,2,0,0,0,0|2,0,0]=4 942 B14R1.178 CC(=O)C(OCC=O)c1ccccc1 dccb367b1c50f1b7ae1cc4fe8253a5e6 [0,2,0,0,0,0|1,0,1]=4 943 B14R1.178 CC(C)C(NCC#N)c1ccccc1 453ca0b0be36c4f40f48b5b3c12c73dd [0,2,0,0,0,0|1,0,1]=4 944 B14R1.178 CC(C)C(NCC=O)c1ccccc1 dc83e8c38e10d989306573324500600e [0,2,0,0,0,0|0,0,0]=2 945 B14R1.178 CC(C)C(NCC=O)c1ccccn1 0856c1e5efb8e5df09e64b6682c4962e [0,2,0,0,0,0|1,0,0]=3 946 B14R1.178 CC(C)C(NCC=O)c1cccnc1 ea82b89699b9ad45b3fa0d1558669bab [0,2,0,0,0,0|1,0,0]=3 947 B14R1.178 CC(C)C(NCC=O)c1ccncc1 b91f1783ce1b23e4dc0a2974c5fd0f49 [0,2,0,0,0,0|1,0,0]=3 948 B14R1.178 CC(C)C(NCCF)c1ccccc1 519efd668c03384a5b6a37a7d0cc6730 [0,2,0,0,0,0|1,0,1]=4 949 B14R1.178 CC(C)C(NCCO)c1ccccc1 631ebe20f993c002e2824ed3d84e0b14 [0,2,0,0,0,0|0,0,2]=4 950 B14R1.178 CC(C)C(NCCS)c1ccccc1 d55b4a644200e2be4c3d5ba45745c0a8 [0,2,0,0,0,0|0,1,1]=4 951 B14R1.178 CC(C)C(OCC=O)c1cccnc1 7ff1b1e6dfff5b5f259a4f52f54ee4f4 [0,2,0,0,0,0|1,0,0]=3 952 B14R1.178 CC(C)C(OCCS)c1ccccc1 b4be17ae3dd42c4c9dd99bddca17115d [0,2,0,0,0,0|0,1,1]=4 953 B14R1.178 CC(C)N(C/C=C/Cl)c1ccccc1 969f9e9554ec6c6f9d87728a8fa2d1ed [0,2,0,0,0,0|2,0,0]=4 954 B14R1.178 CC(C)N(C/C=C\Cl)c1ccccc1 9f4186e588549fb8a295a305fa0fb61b [0,2,0,0,0,0|2,0,0]=4 955 B14R1.178 CC(C)N(C/C=C\O)c1ccccc1 343164714356c21996d2b61d56bc0e05 [0,2,0,0,0,0|1,0,1]=4 956 B14R1.178 CC(C)N(CCC=O)c1ccccc1 a8af5df52be75a29657bcbecf2f32a8f [0,2,0,0,0,0|1,0,0]=3 957 B14R1.178 CC(C)N(CCC=O)c1ccccn1 328481810d66b73571e14cb8bef6b4f9 [0,2,0,0,0,0|2,0,0]=4 958 B14R1.178 CC(C)[C@@H](NCC#N)c1ccccc1 4cb67671753fd222bf95ea1800228d84 [0,2,0,0,0,0|1,0,1]=4 959 B14R1.178 CC(C)[C@@H](NCC=O)c1ccccc1 30b2d8d23341c926479d8742e32afc30 [0,2,0,0,0,0|0,0,0]=2 960 B14R1.178 CC(C)[C@@H](NCC=O)c1ccccn1 a74099c366913ba7b46abbed707d777f [0,2,0,0,0,0|1,0,0]=3 961 B14R1.178 CC(C)[C@@H](NCCF)c1ccccc1 c0a65d9804f0c43a02bfbe1dffa7f34a [0,2,0,0,0,0|1,0,1]=4 962 B14R1.178 CC(C)[C@@H](NCCO)c1ccccc1 f414e77e172af91387634a6308e293b9 [0,2,0,0,0,0|0,0,2]=4 963 B14R1.178 CC(C)[C@@H](NCCS)c1ccccc1 2779f08c7947f99aa03b4d7de1bf83fc [0,2,0,0,0,0|0,1,1]=4 964 B14R1.178 CC(C)[C@H](CNC=O)c1ccccc1 6b8ba70ae577d2f1232dba39f3b60d81 [0,2,0,0,0,0|0,0,0]=2 965 B14R1.178 CC(C)[C@H](CNCF)c1ccccc1 e75dd645c880f3d2e7ffd1ee31473ea7 [0,2,0,0,0,0|1,0,1]=4 966 B14R1.178 CC(C)[C@H](CNCO)c1ccccc1 bdd82110ca849c443457022d3357aee4 [0,2,0,0,0,0|0,0,2]=4 967 B14R1.178 CC(C)[C@H](NCC#N)c1ccccc1 a80c8b0df13eef7c32235707fd1fc1d4 [0,2,0,0,0,0|1,0,1]=4 968 B14R1.178 CC(C)[C@H](NCC=O)c1ccccc1 b90c0cf07bb3b2588722d25fa172dbfc [0,2,0,0,0,0|0,0,0]=2 969 B14R1.178 CC(C)[C@H](NCC=O)c1ccccn1 8400b3be7a787c97d30b498e2ee3aafd [0,2,0,0,0,0|1,0,0]=3 970 B14R1.178 CC(C)[C@H](NCCF)c1ccccc1 4e8205b0d582399e1efa21a2e554d062 [0,2,0,0,0,0|1,0,1]=4 971 B14R1.178 CC(C)[C@H](NCCO)c1ccccc1 6d0e7cada3d07caacc2ccd9d3c160d9c [0,2,0,0,0,0|0,0,2]=4 972 B14R1.178 CC(C)[C@H](NCCS)c1ccccc1 4cd1265b172257daef79b3d2bf28531a [0,2,0,0,0,0|0,1,1]=4 973 B14R1.178 CC(C)[C@H](OCCS)c1ccccc1 1f2cc5fcaf58e27c680aa1dd17e788bf [0,2,0,0,0,0|0,1,1]=4 974 B14R1.178 CC(O)C(NCC=O)c1ccccc1 6fec13b4748ca4a60eb0e484b5d0d261 [0,2,0,0,0,0|1,0,0]=3 975 B14R1.178 CCCNC(c1ccccc1)C(C)C 6ec63575369a84b67c477bb789ae7467 [0,2,0,0,0,0|1,0,1]=4 976 B14R1.178 CCCN[C@@H](c1ccccc1)C(C)C 8036f91305ef7a7b5eb6c11f3f4fe56f [0,2,0,0,0,0|1,0,1]=4 977 B14R1.178 CCCN[C@H](c1ccccc1)C(C)C 806eb90e2ae7c8930c19226f82d1d5a9 [0,2,0,0,0,0|1,0,1]=4 978 B14R1.178 CCNC[C@H](c1ccccc1)C(C)C 7dbe2d580d2de13d4798d38be0b47cd7 [0,2,0,0,0,0|1,0,1]=4 979 B14R1.178 CN(C)C(CNC=O)c1ccccc1 2b3c174e201c1cab53d3f0e02c243c42 [0,2,0,0,0,0|1,0,0]=3 980 B14R1.178 CN(C)C(CNC=O)c1ccccn1 a30b17d6fefb483b09d4129a1780f774 [0,2,0,0,0,0|2,0,0]=4 981 B14R1.178 CN(C)C(CNC=O)c1cccnc1 d4f6be057d72b10f039cbcb9adec0264 [0,2,0,0,0,0|2,0,0]=4 982 B14R1.178 CN(C)C(CNC=O)c1ccncc1 ad9071d8915ce4fb990c5bfe52003d8d [0,2,0,0,0,0|2,0,0]=4 983 B14R1.178 COCNC(c1ccccc1)C(C)C 147a1fa65ab9fa0c6a420f76a7d643c8 [0,2,0,0,0,0|0,0,2]=4 984 B14R1.178 COCN[C@@H](c1ccccc1)C(C)C 89f4ea1a36f78df11bc404b4036c667a [0,2,0,0,0,0|0,0,2]=4 985 B14R1.178 COCN[C@H](c1ccccc1)C(C)C 04e2de772950050d1b9aa70c19c8733e [0,2,0,0,0,0|0,0,2]=4 986 B14R1.178 CSCNC(c1ccccc1)C(C)C 82d41479026c7fa4109d5aef40c9d2ca [0,2,0,0,0,0|0,1,1]=4 987 B14R1.178 CSCN[C@@H](c1ccccc1)C(C)C e9d8a0280761e27a36fb49c0e0f3cff0 [0,2,0,0,0,0|0,1,1]=4 988 B14R1.178 CSCN[C@H](c1ccccc1)C(C)C d229b4926866711745a774eebe1a37d9 [0,2,0,0,0,0|0,1,1]=4 989 B14R1.178 C[C@@H](O)[C@@H](NCC=O)c1ccccc1 95d683117fbfee5288d956074ef31e17 [0,2,0,0,0,0|1,0,0]=3 990 B14R1.178 C[C@H](O)[C@H](NCC=O)c1ccccc1 d5fdde0f7fed5b8458a622fd49cb0fcd [0,2,0,0,0,0|1,0,0]=3 991 B14R1.178 O=CCOC(c1ccccc1)C(F)F a47b4f7cb79da55784b8bdd49c205283 [0,2,0,0,0,0|2,0,0]=4 992 B14R1.508 C=CCN(c1ccc(cc1)Br)C(C)C e4bb5c3e052ebc38d75e377792797ee6 [0,2,0,0,0,0|2,0,0]=4 993 B14R1.508 C=CCN(c1ccc(cc1)C)C(C)C 46912661e704fc3f2a770e449cd2146f [0,2,0,0,0,0|2,0,0]=4 994 B14R1.508 C=CCN(c1ccc(cc1)Cl)C(C)C 2e7c03dbefe21fac59692ce050070a5e [0,2,0,0,0,0|2,0,0]=4 995 B14R1.508 C=CCN(c1ccc(cc1)F)C(C)C f371a5ac3a91e15699ecbf9290641ab4 [0,2,0,0,0,0|2,0,0]=4 996 B14R1.508 CC(C)C(NC#N)c1ccc(cc1)Br 6fcceb614957f6634393b36040621c1d [0,2,0,0,0,0|1,0,1]=4 997 B14R1.508 CC(C)C(NC=O)c1ccc(cc1)Br 7783ac4ab22e444711a01098039e0762 [0,2,0,0,0,0|0,0,0]=2 998 B14R1.508 CC(C)C(NC=O)c1ccc(cc1)Cl fea777c998298a38f5c40b3d78dcaa79 [0,2,0,0,0,0|0,0,0]=2 999 B14R1.508 CC(C)C(NC=O)c1ccc(cc1)F e88ae4a6b6e30cef388b3ed0dfc0715f [0,2,0,0,0,0|0,0,0]=2 1000 B14R1.508 CC(C)C(NCF)c1ccc(cc1)F 2e7262a66361784035d64b6aac381fb1 [0,2,0,0,0,0|1,0,1]=4 1001 B14R1.508 CC(C)C(NCO)c1ccc(cc1)Br 48233e6059606ed8afbb1cca522931a5 [0,2,0,0,0,0|0,0,2]=4 1002 B14R1.508 CC(C)C(NCO)c1ccc(cc1)Cl 37042da7331066ce01b1f49013627d08 [0,2,0,0,0,0|0,0,2]=4 1003 B14R1.508 CC(C)C(NCO)c1ccc(cc1)F 59fe2d5e6288eb5157be8d0acf39251b [0,2,0,0,0,0|0,0,2]=4 1004 B14R1.508 CC(C)N(CC=O)c1ccc(cc1)Br 9c7a4c868dc06051b545bf738106368e [0,2,0,0,0,0|1,0,0]=3 1005 B14R1.508 CC(C)N(CC=O)c1ccc(cc1)Cl 0a41abb6f6fc696d86eea9eeacbffa91 [0,2,0,0,0,0|1,0,0]=3 1006 B14R1.508 CC(C)N(CC=O)c1ccc(cc1)F b3ed4bc63db5e3320fc783e9e8170613 [0,2,0,0,0,0|1,0,0]=3 1007 B14R1.508 CC(C)N(CC=O)c1ccc(cn1)Br 6e8598f437fcf1fee15fecb350e8d71d [0,2,0,0,0,0|2,0,0]=4 1008 B14R1.508 CC(C)N(CC=O)c1ccc(cn1)F 6edc7b9fece01ca7c5723bba6080d0f1 [0,2,0,0,0,0|2,0,0]=4 1009 B14R1.508 CC(C)[C@@H](NC=O)c1ccc(cc1)Cl a17863892c2bcbb3815992e2eb6445c4 [0,2,0,0,0,0|0,0,0]=2 1010 B14R1.508 CC(C)[C@@H](NCO)c1ccc(cc1)Cl b06249a3aaae108059645ab921c31ba6 [0,2,0,0,0,0|0,0,2]=4 1011 B14R1.508 CC(C)[C@H](NC=O)c1ccc(cc1)Br f73c9efb2e615cc3ffe521cd0e98b570 [0,2,0,0,0,0|0,0,0]=2 1012 B14R1.508 CC(C)[C@H](NCO)c1ccc(cc1)Br 784f361d4ab5842cc959210d0f42d06e [0,2,0,0,0,0|0,0,2]=4 1013 B14R1.508 CCNC(c1ccc(cc1)Br)C(C)C a40064f91f64c72a90419a4d953febcd [0,2,0,0,0,0|1,0,1]=4 1014 B14R1.508 CCNC(c1ccc(cc1)Cl)C(C)C 97cbcaed30b4c7940b5ff52c5fbdd941 [0,2,0,0,0,0|1,0,1]=4 1015 B14R1.508 CCNC(c1ccc(cc1)F)C(C)C 738374d2f2de2775514474ebaca73b91 [0,2,0,0,0,0|1,0,1]=4 1016 B14R1.508 CCN[C@@H](c1ccc(cc1)Cl)C(C)C 8bef80be8266f52cfd3218a2172cffdf [0,2,0,0,0,0|1,0,1]=4 1017 B14R1.508 CCN[C@H](c1ccc(cc1)Br)C(C)C 1ee6924ad4fe6641ddd00494c86b2512 [0,2,0,0,0,0|1,0,1]=4 1018 B14R1.508 CCN[C@H](c1ccc(cc1)C)C(C)C 6217504c26db2fb628a03f1362faa222 [0,2,0,0,0,0|1,0,1]=4 1019 B14R1.508 Cc1ccc(cc1)N(CC=O)C(C)C 2667eb486a096260e7058da2b6062381 [0,2,0,0,0,0|1,0,0]=3 1020 B14R1.508 Cc1ccc(cc1)[C@@H](NC=O)C(C)C 63dd6eeedcd61c4e9512368f0e739b7a [0,2,0,0,0,0|0,0,0]=2 1021 B14R1.508 Cc1ccc(cc1)[C@@H](NCF)C(C)C ca54b5405e4376a1bf277ec915b3dd66 [0,2,0,0,0,0|1,0,1]=4 1022 B14R1.508 Cc1ccc(cc1)[C@@H](NCO)C(C)C 043a0771ab1dfe2cffadf2edb9bca6a9 [0,2,0,0,0,0|0,0,2]=4 1023 B14R1.508 O=CNC(c1ccc(cc1)Br)C(F)F 6c20899c258def2af089ba0712a66d23 [0,2,0,0,0,0|2,0,0]=4 1024 B14R1.518 C=CCN(c1cccc(c1)Br)C(C)C 5b73908216716bfc5da8287e2e245ea6 [0,2,0,0,0,0|2,0,0]=4 1025 B14R1.518 C=CCN(c1cccc(c1)C)C(C)C e99cbca80c186a7a755f2c4e02ee3042 [0,2,0,0,0,0|2,0,0]=4 1026 B14R1.518 C=CCN(c1cccc(c1)Cl)C(C)C f029dcb2155d8d631ae2f3496f7ace59 [0,2,0,0,0,0|2,0,0]=4 1027 B14R1.518 C=CCN(c1cccc(c1)F)C(C)C a2157cafc2293e91474ba2b45c2a99f0 [0,2,0,0,0,0|2,0,0]=4 1028 B14R1.518 CC(C)C(NC=O)c1cc(ccn1)Cl b1f2c4b8d8aaa05beb9c31d36358e30d [0,2,0,0,0,0|1,0,0]=3 1029 B14R1.518 CC(C)N(CC=O)c1cc(ccn1)Br eb63ef2ef40f7c06118e1638efcd325d [0,2,0,0,0,0|2,0,0]=4 1030 B14R1.518 CC(C)N(CC=O)c1cccc(c1)Br ecd185d4393131917ce54e2ae10e87df [0,2,0,0,0,0|1,0,0]=3 1031 B14R1.518 CC(C)N(CC=O)c1cccc(c1)Cl 41506ff7897be2af6e5c4efd6109f805 [0,2,0,0,0,0|1,0,0]=3 1032 B14R1.518 CC(C)N(CC=O)c1cccc(c1)F 8dcda70c02e4ac49ace91d9423cff46d [0,2,0,0,0,0|1,0,0]=3 1033 B14R1.518 CC(C)N(CC=O)c1cccc(n1)Br 2aab21f9a5e53708e32d733c6e1ef2af [0,2,0,0,0,0|2,0,0]=4 1034 B14R1.518 CC(C)[C@@H](NC=O)c1cccc(c1)Cl c4b70604efadd758ddcaeae86aef4180 [0,2,0,0,0,0|0,0,0]=2 1035 B14R1.518 CC(C)[C@@H](NCF)c1cccc(c1)Cl c6f121a1b95993f94638c59fd23e16b3 [0,2,0,0,0,0|1,0,1]=4 1036 B14R1.518 CC(C)[C@@H](NCO)c1cccc(c1)Cl 9e958c8c1a85fe3979ab37da97af903f [0,2,0,0,0,0|0,0,2]=4 1037 B14R1.518 CC(O)C(NC=O)c1cccc(c1)Br f10760cebaedcb0fcaf84aeecbd3592d [0,2,0,0,0,0|1,0,0]=3 1038 B14R1.518 CCNC(c1cccc(c1)C)C(C)C 22531cc76cc54bb8b22c429271724e59 [0,2,0,0,0,0|1,0,1]=4 1039 B14R1.518 CCN[C@@H](c1cccc(c1)Cl)C(C)C 37e857acfb3f81324209383d72060267 [0,2,0,0,0,0|1,0,1]=4 1040 B14R1.518 C[C@@H](O)[C@@H](NC=O)c1cccc(c1)Br 2f60799637160ea67a884d2f6a6d65b6 [0,2,0,0,0,0|1,0,0]=3 1041 B14R1.518 Cc1cccc(c1)C(NC=O)C(C)C 9ec870616ce368a442355b11f67cbc96 [0,2,0,0,0,0|0,0,0]=2 1042 B14R1.518 Cc1cccc(c1)C(NCF)C(C)C 6e7e096103ac5187417270ec0097fe38 [0,2,0,0,0,0|1,0,1]=4 1043 B14R1.518 Cc1cccc(c1)C(NCO)C(C)C 23a60a48739895f5a6c5c19636b72b0f [0,2,0,0,0,0|0,0,2]=4 1044 B14R1.518 Cc1cccc(c1)N(CC=O)C(C)C 8744075732707198a0c78c5016c9b78b [0,2,0,0,0,0|1,0,0]=3 1045 B14R1.521 C=CCN(c1ccccc1)C(C)CC a6e9f1b9b279b82bbb189375223cf55d [0,2,0,0,0,0|2,0,0]=4 1046 B14R1.521 C=CCN(c1ccccc1)C(C)CO ea77447994009b74d71e8fd34e8cc547 [0,2,0,0,0,0|2,0,0]=4 1047 B14R1.521 C=CCN(c1ccccc1)[C@@H](C)CO 45b57e98463e8afc948fce0a50507bf3 [0,2,0,0,0,0|2,0,0]=4 1048 B14R1.521 C=CCN(c1ccccc1)[C@H](C)CO d9484e935795b2ab22d8c4d34a0fa5a0 [0,2,0,0,0,0|2,0,0]=4 1049 B14R1.521 CC(C#N)N(CC=O)c1ccccc1 827042497def8b52edcbd85e3c11a9d6 [0,2,0,0,0,0|1,0,1]=4 1050 B14R1.521 CC(C=O)N(CC=O)c1ccccc1 21361cf82ca8a724ed0895825313d36d [0,2,0,0,0,0|1,0,1]=4 1051 B14R1.522 C=CCN(c1ccccc1)C(C)(C)C 993760be23d03e532a7065c5dfebec46 [0,2,0,0,0,0|2,0,0]=4 1052 B14R1.522 CC(C)(C)C(NC=O)c1ccccc1 1fcc95711140ec62a5e7e9c943091e1a [0,2,0,0,0,0|0,0,0]=2 1053 B14R1.522 CC(C)(C)C(NCO)c1ccccc1 99503bc0ec43b67f928c457d818f3175 [0,2,0,0,0,0|0,0,2]=4 1054 B14R1.522 CC(C)(C)N(CC=O)c1ccccc1 20b606feac6f9922773242aa663b7c36 [0,2,0,0,0,0|1,0,0]=3 1055 B14R1.522 CC(C)(C)[C@@H](NC=O)c1ccccc1 b2a13403d488c7e4de2f6efe9de3d46f [0,2,0,0,0,0|0,0,0]=2 1056 B14R1.522 CC(C)(C)[C@@H](NCO)c1ccccc1 fd27bf6ac4c216f94f789429ec1986f4 [0,2,0,0,0,0|0,0,2]=4 1057 B14R1.522 CC(C)(C)[C@H](NC=O)c1ccccc1 956bacdb1dedd20b448f07226b31e108 [0,2,0,0,0,0|0,0,0]=2 1058 B14R1.522 CC(C)(C)[C@H](NCO)c1ccccc1 37c8c1e49918c38ca53a5bb055d71859 [0,2,0,0,0,0|0,0,2]=4 1059 B14R1.522 CC(C)(O)[C@@H](NC=O)c1ccccc1 52d22cac2fdb5612087622b5692d7477 [0,2,0,0,0,0|0,0,0]=2 1060 B14R1.522 CC(C)(O)[C@@H](NCO)c1ccccc1 093b0142fec136a1dbb88fae77d4c6ce [0,2,0,0,0,0|0,0,2]=4 1061 B14R1.522 CCNC(c1ccccc1)C(C)(C)C effbf88084cd3f321535cfef9c7f3f64 [0,2,0,0,0,0|1,0,1]=4 1062 B14R1.522 CCN[C@@H](c1ccccc1)C(C)(C)C f384f1c940aa34d50654685a5b4185ee [0,2,0,0,0,0|1,0,1]=4 1063 B14R1.522 CCN[C@H](c1ccccc1)C(C)(C)C b792893f535223c9609315ef53b0f2a7 [0,2,0,0,0,0|1,0,1]=4 1064 B14R1.522 O=CNC(c1ccccc1)C(F)(F)F 3faf784b9c5519221a3bd7f9e2f4c5fe [0,2,0,0,0,0|2,0,0]=4 1065 B14R1.522 O=CN[C@@H](c1ccccc1)C(F)(F)F 8614973399c025f25f7bed076a0d38b3 [0,2,0,0,0,0|2,0,0]=4 1066 B14R1.522 O=CN[C@H](c1ccccc1)C(F)(F)F 2dd88ef20601f48b1ee41ad4c26649d9 [0,2,0,0,0,0|2,0,0]=4 1067 B14R1.523 C=CCN(c1ccccc1Br)C(C)C c0d309d8ed4ef026466bbe9170de31df [0,2,0,0,0,0|2,0,0]=4 1068 B14R1.523 C=CCN(c1ccccc1C)C(C)C 11d07dc4b4de3e2aa37f1a0ca22c5609 [0,2,0,0,0,0|2,0,0]=4 1069 B14R1.523 C=CCN(c1ccccc1Cl)C(C)C 706a33d1202ba5720baefb655cb2d548 [0,2,0,0,0,0|2,0,0]=4 1070 B14R1.523 C=CCN(c1ccccc1F)C(C)C cded40c910b33708fb65d6e91b1509c7 [0,2,0,0,0,0|2,0,0]=4 1071 B14R1.523 C=CCN(c1ccccc1S)C(C)C d4b41d3801bf45261560456926d90a0f [0,2,0,0,0,0|2,0,0]=4 1072 B14R1.523 CC(C)C(NC=O)c1ccccc1F 2b08a23621355a89b6df31d14f7536eb [0,2,0,0,0,0|0,0,0]=2 1073 B14R1.523 CC(C)C(NCF)c1ccccc1F 014a32792d77eddaaa97cf5ccb53ea35 [0,2,0,0,0,0|1,0,1]=4 1074 B14R1.523 CC(C)C(NCO)c1ccccc1F f85e88364a7e471f4438b771ce485f2c [0,2,0,0,0,0|0,0,2]=4 1075 B14R1.523 CC(C)N(CC=O)c1ccccc1Br d7aea742530f28013f216a6a83013d02 [0,2,0,0,0,0|1,0,0]=3 1076 B14R1.523 CC(C)N(CC=O)c1ccccc1Cl d4a45311faef303365d33d0843ef182c [0,2,0,0,0,0|1,0,0]=3 1077 B14R1.523 CC(C)N(CC=O)c1ccccc1F 68d5c8c6628f076950b27a8ae29d82ad [0,2,0,0,0,0|1,0,0]=3 1078 B14R1.523 CC(C)N(CC=O)c1ccccc1S d0c05e0beae62fe7917b1e7fabd3139a [0,2,0,0,0,0|1,0,0]=3 1079 B14R1.523 CCNC(c1ccccc1C)C(C)C 3426b95a7637032164c792154549f97c [0,2,0,0,0,0|1,0,1]=4 1080 B14R1.523 CCNC(c1ccccc1F)C(C)C d4fee36c5baa2390aa4361d2adfc1588 [0,2,0,0,0,0|1,0,1]=4 1081 B14R1.523 Cc1ccccc1C(NC=O)C(C)C 2e41f452b19a204c72ec8325dae15ed5 [0,2,0,0,0,0|0,0,0]=2 1082 B14R1.523 Cc1ccccc1C(NCF)C(C)C 14c6d2005bd51edfa353667cada65ebe [0,2,0,0,0,0|1,0,1]=4 1083 B14R1.523 Cc1ccccc1C(NCO)C(C)C ff58f4f590ac71a11e8d6612d26b4d44 [0,2,0,0,0,0|0,0,2]=4 1084 B14R1.523 Cc1ccccc1N(CC=O)C(C)C f8b825d4a7e99a54a926b603114a0da2 [0,2,0,0,0,0|1,0,0]=3 1085 B14R1.2984 C#CC(=O)N(c1ccccn1)C(C)C 00b9850a40ecfff4f1cc2cd9a4febcb0 [0,2,0,0,0,0|2,0,0]=4 1086 B14R1.2984 C=CC(=O)N(c1ccccc1)C(C)C b0fe0fa51431bab13e0ac2014aa14049 [0,2,0,0,0,0|1,0,0]=3 1087 B14R1.2984 C=CC(=O)N(c1ccccn1)C(C)C b32eb3c7dc6d5cb7390c685bab407a54 [0,2,0,0,0,0|2,0,0]=4 1088 B14R1.2984 C=CC(C)N(c1ccccc1)C(C)C bb67acf9835d3029558b8c4e68aed64c [0,2,0,0,0,0|2,0,0]=4 1089 B14R1.2984 CC(=O)N(c1ccccc1)C(C)C#N f70aaf517a74d484418be6753163de1d [0,2,0,0,0,0|1,0,1]=4 1090 B14R1.2984 CC(=O)N(c1ccccc1)C(C)C=O 2099400e1b0700eac350ae812ddf272d [0,2,0,0,0,0|1,0,1]=4 1091 B14R1.2984 CC(C)N(C(=O)C=O)c1ccccc1 43098e05a9fff6564bde9ae803511746 [0,2,0,0,0,0|1,0,0]=3 1092 B14R1.2984 CC(C)N(C(=O)C=O)c1ccccn1 c4132a6018c5f545c37b06d27e14b67c [0,2,0,0,0,0|2,0,0]=4 1093 B14R1.2984 CC(C)N(C(=O)CF)c1ccccn1 4cef28af23126e9d013cff89d5b4e0e8 [0,2,0,0,0,0|2,0,0]=4 1094 B14R1.2984 CC(C)N(C(=O)CO)c1ccccc1 12fea9049eb768e13fdbf74766b054c4 [0,2,0,0,0,0|1,0,0]=3 1095 B14R1.2984 CC(C)N(C(=O)CO)c1ccccn1 6b33db13ec30288e143a3f77bf9f17c2 [0,2,0,0,0,0|2,0,0]=4 1096 B14R1.2984 CC(C)N(C(=O)CS)c1ccccn1 2bbcadcf256a7d2f8c7f6c7c9cf0d086 [0,2,0,0,0,0|2,0,0]=4 1097 B14R1.2984 CC(C)N(c1ccccc1)C(C)C=O 0036b1fda509815af4d5e3a056ec6862 [0,2,0,0,0,0|1,0,0]=3 1098 B14R1.2984 CC(C)N(c1ccccc1)[C@H](C)C=O 57a5dbe86183ffe931129e3f452815a7 [0,2,0,0,0,0|1,0,0]=3 1099 B14R1.2984 CC(C)N(c1ccccn1)C(C)C=O fba345b25561cc13e49602d7cd52c428 [0,2,0,0,0,0|2,0,0]=4 1100 B14R1.2984 CC(C)N(c1ccccn1)[C@H](C)C=O 4f67f53ff52d63e257e880707e3bedb5 [0,2,0,0,0,0|2,0,0]=4 1101 B14R1.2984 CCC(=O)N(c1ccccn1)C(C)C e683291e998c6c6207612c201708d6ee [0,2,0,0,0,0|2,0,0]=4 1102 B14R1.2984 CCN(C)C(C(=O)O)c1ccccc1 60867e42c1c725483513e5f5b7366e95 [0,2,0,0,0,0|1,0,0]=3 1103 B14R1.2984 CCN(C)C(C(=O)O)c1ccccn1 508cd78a8736092ef4b17eb23a1c6b9c [0,2,0,0,0,0|2,0,0]=4 1104 B14R1.2984 CCN(C)[C@@H](C(=O)O)c1ccccc1 727ba11513d2cbe2df3becb0f03b5a8c [0,2,0,0,0,0|1,0,0]=3 1105 B14R1.2984 CCN(C)[C@H](C(=O)O)c1ccccc1 3540b3d683a6b3747adb19f4e507e53b [0,2,0,0,0,0|1,0,0]=3 1106 B14R1.2984 CN(CF)C(C(=O)O)c1ccccc1 f17eccb2348e58a9d238cafa692352d9 [0,2,0,0,0,0|1,0,0]=3 1107 B14R1.2984 CN(CF)C(C(=O)O)c1ccccn1 145b79fdc23fd86743e5ff1b5060906b [0,2,0,0,0,0|2,0,0]=4 1108 B14R1.2984 CN(CF)[C@@H](C(=O)O)c1ccccc1 4045cead4ebb6c71626d509956da4a8d [0,2,0,0,0,0|1,0,0]=3 1109 B14R1.2984 CN(CF)[C@H](C(=O)O)c1ccccc1 0b89092aed74f13777d15851b95c7bd0 [0,2,0,0,0,0|1,0,0]=3 1110 B14R1.2984 CN(CO)C(C(=O)O)c1ccccc1 967173f66c292a94c03b2231a04b0d4f [0,2,0,0,0,0|1,0,0]=3 1111 B14R1.2984 CN(CO)C(C(=O)O)c1ccccn1 170c552a138a15213e3ac13ceff7df09 [0,2,0,0,0,0|2,0,0]=4 1112 B14R1.2984 CN(CO)[C@@H](C(=O)O)c1ccccc1 bab9690bbb827328bd81afed71afbe5b [0,2,0,0,0,0|1,0,0]=3 1113 B14R1.2984 CN(CO)[C@H](C(=O)O)c1ccccc1 caf139118c5ad2014274943f84cc5a19 [0,2,0,0,0,0|1,0,0]=3 1114 B14R1.6716 CC(C)C(C)(OCF)c1ccccc1 517b50162a9fcb62255e0b7b299a1350 [0,2,0,0,0,0|1,0,1]=4 1115 B14R1.6716 CCOC(C)(c1ccccc1)C(C)C 692c8908e03c5fced4049fff2ba9dc0e [0,2,0,0,0,0|1,0,1]=4 1116 B14R1.604 C#CCN(C)C(C=C)c1ccccc1 caedb0e21f15e9e4c227b0d2a5e552b9 [0,2,0,0,0,0|2,0,0]=4 1117 B14R1.604 C#CCN(C)C(C=O)c1ccccc1 b51bb92b44760b608dd2762680b8c3fd [0,2,0,0,0,0|1,0,0]=3 1118 B14R1.604 C=CC(c1ccccc1)N(C)CC#N 799a3b5ca6b402326fda0d8ff509848b [0,2,0,0,0,0|2,0,0]=4 1119 B14R1.604 C=CC(c1ccccc1)N(C)CCC a0640145e3f10a113cc1246bc1ae26f8 [0,2,0,0,0,0|2,0,0]=4 1120 B14R1.604 C=CC(c1ccccc1)N(C)CCF cf7c22266e65c6ad697d944268093f58 [0,2,0,0,0,0|2,0,0]=4 1121 B14R1.604 C=CC(c1ccccc1)N(C)CCO 9d7a4a5b3d1ce01b34f43f454788c192 [0,2,0,0,0,0|2,0,0]=4 1122 B14R1.604 C=CCN(C)C(C=C)c1ccccc1 14298bace7dcf3275764489fe9203623 [0,2,0,0,0,0|2,0,0]=4 1123 B14R1.604 C=CCN(C)C(C=O)c1ccccc1 7382b8f7a3d5082de2fd30d2882d672f [0,2,0,0,0,0|1,0,0]=3 1124 B14R1.604 CCCN(C)C(C=O)c1ccccc1 9a37323a011c6ff7f3589eb34c8e1f1e [0,2,0,0,0,0|1,0,0]=3 1125 B14R1.604 CN(CC#N)C(C=O)c1ccccc1 34a7242f3b437ad707f5d170d7d12b39 [0,2,0,0,0,0|1,0,0]=3 1126 B14R1.604 CN(CCF)C(C=O)c1ccccc1 e999c7fea6d73766aed3604a65697da6 [0,2,0,0,0,0|1,0,0]=3 1127 B14R1.604 COCC(C)N(C=O)c1ccccc1 85911b2eff9e4bc317e8eda6681470ab [0,2,0,0,0,0|1,0,0]=3 1128 B14R1.8 CC(C)N(C=O)c1ccc(cc1)C#N dfd5b0bb611fd6ff640676637b58b1e4 [0,2,0,0,0,0|1,0,0]=3 1129 B14R1.8 COc1ccc(cc1)N(C=O)C(C)C 81bd5fce1be0b0124e0cbabe9685900e [0,2,0,0,0,0|1,0,0]=3 1130 B14R1.703 CC(=O)N(c1ccc(cc1)C)C(C)C 1376c706527cb542d95d5aa2f6a79e34 [0,2,0,0,0,0|1,0,0]=3 1131 B14R1.703 CC(=O)N(c1ccc(cc1)Cl)C(C)C 432cc33cdf1a73a388e98d69a251ad13 [0,2,0,0,0,0|1,0,0]=3 1132 B14R1.703 CC(=O)N(c1ccc(cc1)F)C(C)C f91870f3148e43a50b344b04c2a21c87 [0,2,0,0,0,0|1,0,0]=3 1133 B14R1.703 CC(=O)N(c1ccc(cn1)Br)C(C)C 2674aacc0f0e54d79ad2f70fc073959a [0,2,0,0,0,0|2,0,0]=4 1134 B14R1.703 CC(=O)N(c1ccc(cn1)F)C(C)C 5d96300b41bc9752f2439eb910611056 [0,2,0,0,0,0|2,0,0]=4 1135 B14R1.1012 Cc1ccc(cc1)N(C=O)C(C)(C)C 469bd224ed46ba6f72eb5ccffd6feb8f [0,2,0,0,0,0|1,0,0]=3 1136 B14R1.1032 CC(C)N(C=O)c1ccc(c(c1)Br)F cb6e6e347cc0025c12e4f9105415bb72 [0,2,0,0,0,0|1,0,0]=3 1137 B14R1.80 CC(C)N(C=O)c1cccc(c1)C#N 8dee8e5869de2705d4a5d611d05d4784 [0,2,0,0,0,0|1,0,0]=3 1138 B14R1.1008 Cc1ccc(c(c1)N(C=O)C(C)C)C 51faa791401e70062e12caee794c8804 [0,2,0,0,0,0|1,0,0]=3 1139 B14R1.1008 Cc1ccc(cc1N(C=O)C(C)C)Br 10d137e7b6b69556b9efa79169b47da2 [0,2,0,0,0,0|1,0,0]=3 1140 B14R1.1008 Cc1ccc(cc1N(C=O)C(C)C)Cl fb9f47484e1e743aa6463d395002f414 [0,2,0,0,0,0|1,0,0]=3 1141 B14R1.1009 CC(C)N(C=O)c1cc(cc(c1)Br)Cl 52e99b3a94421d50f25d09393bb6c1dd [0,2,0,0,0,0|1,0,0]=3 1142 B14R1.1009 Cc1cc(cc(c1)N(C=O)C(C)C)Br 922ca6ab2d8c446a983782d52718878a [0,2,0,0,0,0|1,0,0]=3 1143 B14R1.1009 Cc1cc(cc(c1)N(C=O)C(C)C)C 5202e9aadaad3e5e4862d3d6846e980b [0,2,0,0,0,0|1,0,0]=3 1144 B14R1.4402 CC(=O)N(c1cc(ccn1)Br)C(C)C 181a65d43505b9e0b78d85986c595539 [0,2,0,0,0,0|2,0,0]=4 1145 B14R1.4402 CC(=O)N(c1cccc(c1)C)C(C)C fb50ed49d49d6b87bbdd2960d44ab70a [0,2,0,0,0,0|1,0,0]=3 1146 B14R1.4402 CC(=O)N(c1cccc(c1)Cl)C(C)C 16a74ab822ceaf37b7fa87a2eedc216d [0,2,0,0,0,0|1,0,0]=3 1147 B14R1.4402 CC(=O)N(c1cccc(c1)F)C(C)C f11ed6d98c2eaee4fe33a0f89370725f [0,2,0,0,0,0|1,0,0]=3 1148 B14R1.4402 CC(=O)N(c1cccc(n1)Br)C(C)C 6d046c1bc31562b604c0afb3f23974b8 [0,2,0,0,0,0|2,0,0]=4 1149 B14R1.1029 Cc1cccnc1N(C=O)C(C)(C)C b43a25dc62fce014d38c9216ad71da2a [0,2,0,0,0,0|2,0,0]=4 1150 B14R1.323 CC(=O)N(c1ccccc1C)C(C)C ed9b52c63172c035fc49ae68eb5dc028 [0,2,0,0,0,0|1,0,0]=3 1151 B14R1.323 CC(=O)N(c1ccccc1Cl)C(C)C 829465c52debbb8a0c53e59c90363f15 [0,2,0,0,0,0|1,0,0]=3 1152 B14R1.323 CC(=O)N(c1ccccc1F)C(C)C ddced875875dce4144ca4cd97e5f02a2 [0,2,0,0,0,0|1,0,0]=3 1153 B14R1.323 CC(=O)N(c1ccccc1S)C(C)C b34ba6b36f63f03a4f79f51ecfe0fc06 [0,2,0,0,0,0|1,0,0]=3 1154 B14R1.841 CC(C)N(C=O)c1ccccc1C#N a54dfd4449a0c774d0327d9331073d48 [0,2,0,0,0,0|1,0,0]=3 1155 B14R1.841 CC(C)N(C=O)c1ccccc1CO 73b406bb33eebed210fc86770999409e [0,2,0,0,0,0|1,0,0]=3 1156 B14R1.841 CC(C)N(C=O)c1ncccc1C#N 62e8d9c0103a9588b862d04801906662 [0,2,0,0,0,0|2,0,0]=4 1157 B14R1.841 COc1ncccc1N(C=O)C(C)C 5e059a898214f10bf380896a57e6e4a5 [0,2,0,0,0,0|2,0,0]=4 1158 B12R1.298 CC(C)C(C=O)Nc1cccs1 7b46975eba32be27c0f7bf8ec1597dce [0,0,1,1,0,0|2,0,0]=4 1159 B12R1.298 CC(C)C(C=O)Nc1ccsc1 6287b1acc9f66c32a6d2540226ee5d93 [0,0,1,1,0,0|2,0,0]=4 1160 B12R1.298 CC(C)C(C=O)Oc1ccco1 e092feed0a184bb34543c6e834cab57e [0,0,1,1,0,0|2,0,0]=4 1161 B12R1.298 CC(C)C(C=O)Oc1ccsc1 7a92293f9c85e8470f6a968274067ab8 [0,0,1,1,0,0|2,0,0]=4 1162 B12R2.1 O=CN1CCc2c1cccc2 952fb58dcbced8913394c41c3e29378e [1,0,0,1,0,0|1,0,0]=3 1163 B12R2.1 O=CN1CCc2c1cccn2 d2dcd13cafbd9713f3325443b770875f [1,0,0,1,0,0|2,0,0]=4 1164 B12R2.1 O=CN1CCc2c1ccnc2 2e0b92775838ffc53aae45498b831cce [1,0,0,1,0,0|2,0,0]=4 1165 B12R2.1 O=CN1CCc2c1cncc2 1b052413b23f1c3e48b9b6dcd0ea0849 [1,0,0,1,0,0|2,0,0]=4 1166 B12R2.1 O=CN1CCc2c1nccc2 6d4df3c1b7ebbfc1a8390e263c834cd5 [1,0,0,1,0,0|2,0,0]=4 1167 B14R2.334 CC1(OCC1Nc2ccccc2)C 9cd7063a944afa437139289c22700e24 [0,0,0,1,0,1|0,0,2]=4 1168 B14R2.833 CCC(Nc1ccccc1)C2CC2 fa17d525be2354b9c8089453c2c23181 [0,0,0,1,0,1|1,0,1]=4 1169 B14R2.833 O=CN(Cc1ccccc1)C2CC2 eb02c1b7853aee432fe1731b3344e81d [0,0,0,1,0,1|1,0,0]=3 1170 B14R2.833 O=CN(Cc1ccccn1)C2CC2 343d805470931502ab4aaf8fbfba7a77 [0,0,0,1,0,1|2,0,0]=4 1171 B14R2.833 O=CN(Cc1cccnc1)C2CC2 28672bf9c9f93cf56ad72351101879c1 [0,0,0,1,0,1|2,0,0]=4 1172 B14R2.833 O=CN(Cc1ccncc1)C2CC2 a53e1bd9c5ee75d56597039bad1929f0 [0,0,0,1,0,1|2,0,0]=4 1173 B14R2.833 OCC(Nc1ccccc1)C2CC2 bcf1281333c6f784a2d04d4ab6035894 [0,0,0,1,0,1|0,0,2]=4 1174 B14R2.833 OC[C@@H](Nc1ccccc1)C2CC2 96e80037c8e41e8552db2c9e33b8b96b [0,0,0,1,0,1|0,0,2]=4 1175 B14R2.833 OC[C@H](Nc1ccccc1)C2CC2 d349a568f9ac07b4510a42f5b3199b7f [0,0,0,1,0,1|0,0,2]=4 1176 B14R2.1109 CC1(c2ccccc2CN1C=O)C 348daea6867c923c90e8ace1038945aa [0,0,0,1,0,1|1,0,0]=3 1177 B14R2.1128 CC1Cc2ccccc2CN1C=O 7169952a2f0504cd2f0d2470124aa2fd [0,0,0,1,0,1|1,0,0]=3 1178 B14R2.1128 C[C@@H]1Cc2ccccc2CN1C=O 850728f0f70c6a60e8bb380aa1e1ac23 [0,0,0,1,0,1|1,0,0]=3 1179 B14R2.1128 C[C@H]1Cc2ccccc2CN1C=O 73f07f459b47002436eb0be3300c0321 [0,0,0,1,0,1|1,0,0]=3 1180 B14R2.2 CC(C)NC1CCc2c1cccc2 adb1e666aa0a9a6c083974fcff182fb4 [0,0,0,1,0,1|1,0,1]=4 1181 B14R2.2 CC(C)NC1COc2c1cccc2 86c7aeb5a78e2460bcfd5dad985ed380 [0,0,0,1,0,1|0,0,2]=4 1182 B14R2.2 CC(C)N[C@@H]1CCc2c1cccc2 f2c212402066099846448c068dd5b7fc [0,0,0,1,0,1|1,0,1]=4 1183 B14R2.2 CC(C)N[C@@H]1COc2c1cccc2 222d356c41a6c48b1c03e83477d7e8b0 [0,0,0,1,0,1|0,0,2]=4 1184 B14R2.2 CC(C)N[C@H]1CCc2c1cccc2 8827d317c291d1ef70cd9cf6b83e142d [0,0,0,1,0,1|1,0,1]=4 1185 B14R2.2 CC(C)N[C@H]1COc2c1cccc2 9dede7d82b8136ee2489590e9fe8e68b [0,0,0,1,0,1|0,0,2]=4 1186 B14R2.2 CC(C)Nc1c[nH]c2c1cccc2 0d87fc84b8759a3e79d85a6fbaac29d8 [0,0,0,1,0,1|1,0,1]=4 1187 B14R2.2 CC(C)Nc1csc2c1cccc2 eff0f80fc85455103ff7a38b2fff6fa8 [0,0,0,1,0,1|0,1,1]=4 1188 B14R2.2 CC(C)OC1CCc2c1cccc2 ee8e4e787e966e5840c6996a1ff2907e [0,0,0,1,0,1|1,0,1]=4 1189 B14R2.2 CC(C)OC1COc2c1cccc2 e3845e6316e64690b55a72a54de467a1 [0,0,0,1,0,1|0,0,2]=4 1190 B14R2.2 CC(C)O[C@@H]1CCc2c1cccc2 97b834c54cb387a39ebe9f00a7d1e5c4 [0,0,0,1,0,1|1,0,1]=4 1191 B14R2.2 CC(C)O[C@H]1CCc2c1cccc2 532c9a89b3eba00e8181a864678bc110 [0,0,0,1,0,1|1,0,1]=4 1192 B14R2.2 CC(C)Oc1c[nH]c2c1cccc2 087c750dc4677a0808763e2481fd5552 [0,0,0,1,0,1|1,0,1]=4 1193 B14R2.2 CC(C)Oc1coc2c1cccc2 4143ed550a23ae7ada1e05a6c2788e0d [0,0,0,1,0,1|0,0,2]=4 1194 B14R2.2 CC(C)Oc1csc2c1cccc2 534c2c622fc0eb8932f7df7e12da4f9d [0,0,0,1,0,1|0,1,1]=4 1195 B14R2.1014 CC(C)OC1(CC1)c2ccccc2 abf32936c29572a2b0c886fe6d6044b2 [0,0,0,1,0,1|1,0,1]=4 1196 B14R2.1146 CC1CN(c2ccccc2O1)C=O f6b0975341c628ceb843ab0e57e75dc3 [0,0,0,1,0,1|2,0,0]=4 1197 B14R2.1146 CC1CN(c2ccccc2S1)C=O 58a805efe0222cfdaa10af1a8c483950 [0,0,0,1,0,1|2,0,0]=4 1198 B14R2.1146 CC1Cc2ccccc2N(C1)C=O f749e7129bd631f1ca348849a567e89c [0,0,0,1,0,1|1,0,0]=3 1199 B14R2.1146 O=CN1CC(Cc2c1cccc2)O 3d292930f9b9d5d622a3bb276cbb9e38 [0,0,0,1,0,1|2,0,0]=4 1200 B14R2.1146 O=CN1C[C@@H](Cc2c1cccc2)O 99435a0b5cc645573a7fef6a6e6c0439 [0,0,0,1,0,1|2,0,0]=4 1201 B14R2.1146 O=CN1C[C@H](Cc2c1cccc2)O 974d7c767c804272631d4f7cb196988b [0,0,0,1,0,1|2,0,0]=4 1202 B14R2.1256 C=CC(NC1CC1)c2ccccc2 918971a093527431a54d95e0da136b5a [0,0,0,1,0,1|1,0,0]=3 1203 B14R2.1256 C=CC(OC1CC1)c2ccccc2 4a0aa3129a0d98e131dd50b8c7e21324 [0,0,0,1,0,1|1,0,0]=3 1204 B14R2.1256 C=C[C@@H](NC1CC1)c2ccccc2 80603e9ec04fe530708bf78406a33824 [0,0,0,1,0,1|1,0,0]=3 1205 B14R2.1256 C=C[C@H](NC1CC1)c2ccccc2 6d40dbe28c2911b01f8a011482c75fe8 [0,0,0,1,0,1|1,0,0]=3 1206 B14R2.1256 CCC(NC1CC1)c2ccccc2 4dcf91038ee01db0d664b8af8fdece54 [0,0,0,1,0,1|1,0,1]=4 1207 B14R2.1256 CCC(OC1CC1)c2ccccc2 407e779166563b41c05d2e25db0b86cc [0,0,0,1,0,1|1,0,1]=4 1208 B14R2.1256 CC[C@@H](NC1CC1)c2ccccc2 52b2db8700d5a4a9e9b419f359a0a34f [0,0,0,1,0,1|1,0,1]=4 1209 B14R2.1256 CC[C@H](NC1CC1)c2ccccc2 cb5842da754177cef013e5c90feb8777 [0,0,0,1,0,1|1,0,1]=4 1210 B14R2.1256 FC[C@H](NC1CC1)c2ccccc2 705241858607ee26f96c1e47aee14ac4 [0,0,0,1,0,1|1,0,1]=4 1211 B14R2.1256 N#CC(NC1CC1)c2ccccc2 e2bd1fd6256139219d9df023a11a5150 [0,0,0,1,0,1|1,0,1]=4 1212 B14R2.1256 O=CC(NC1CC1)c2ccccc2 245c72ca0dd79b86d3467c5f180711ac [0,0,0,1,0,1|0,0,0]=2 1213 B14R2.1256 O=CC(OC1CC1)c2ccccc2 c05a58dd7b3d1f47ba4b7be19777369a [0,0,0,1,0,1|0,0,0]=2 1214 B14R2.1256 O=CN(CC1CC1)c2cccnc2 96abb120c97cbd62f0b00cd68d53b7b9 [0,0,0,1,0,1|2,0,0]=4 1215 B14R2.1256 OCC(NC1CC1)c2ccccc2 a7bbdced9d7c461c21f1278062d02e7a [0,0,0,1,0,1|0,0,2]=4 1216 B14R2.1256 OC[C@@H](NC1CC1)c2ccccc2 18e932efd08580ce7012384aa70b75e5 [0,0,0,1,0,1|0,0,2]=4 1217 B14R2.1256 OC[C@H](NC1CC1)c2ccccc2 20bcf7d8ec07a65899e2598f87164327 [0,0,0,1,0,1|0,0,2]=4 1218 B14R2.45179 CC1(CN(c2c1cccc2)C=O)C 7bacc419553ef7d112ecce22030532a2 [0,0,0,1,0,1|1,0,0]=3 1219 B14R2.45179 CC1(CN(c2c1cccn2)C=O)C 4f71e6b95b6d2499ebc670c2bb512a73 [0,0,0,1,0,1|2,0,0]=4 1220 B14R2.45179 CC1(CN(c2c1cncc2)C=O)C 6446e5cd91ca4cfc4f1cda1418207f8b [0,0,0,1,0,1|2,0,0]=4 1221 B14R2.517 C=CCN1c2ccccc2CC1C 68fb8509f09f84dad9acca3541949a55 [0,1,0,1,0,0|2,0,0]=4 1222 B14R2.517 C=CCN1c2ccccc2C[C@@H]1C 847dd877c56eb0bde99c94b08af7dccb [0,1,0,1,0,0|2,0,0]=4 1223 B14R2.517 C=CCN1c2ccccc2C[C@H]1C a450668e607e4b21bd8c1a9c7504932c [0,1,0,1,0,0|2,0,0]=4 1224 B14R2.517 CC1Cc2ccccc2N1CC=O b5119a20a274992a2f30af5a1814033d [0,1,0,1,0,0|1,0,0]=3 1225 B14R2.517 CC1Cc2cccnc2N1CC=O 7461c67d4b314fcb493b9f5830ec26ec [0,1,0,1,0,0|2,0,0]=4 1226 B14R2.517 C[C@@H]1Cc2ccccc2N1CC=O 78ef0f75d42c0fe0569029ef84d06dd9 [0,1,0,1,0,0|1,0,0]=3 1227 B14R2.517 C[C@H]1Cc2ccccc2N1CC=O e0415d2cb8bf0887b2072d2d4fa641b5 [0,1,0,1,0,0|1,0,0]=3 1228 B14R2.517 O=CNC1c2ccccc2CC1O 9c1b548511245fefaf0aa52076f2dd7d [0,1,0,1,0,0|1,0,0]=3 1229 B14R2.517 O=CN[C@@H]1c2ccccc2C[C@@H]1O fa6b10e6c935e3d85aad846fde84d737 [0,1,0,1,0,0|1,0,0]=3 1230 B14R2.517 O=CN[C@@H]1c2ccccc2C[C@H]1O 93d03ccbf5c8cdec0b3472b05c982bb9 [0,1,0,1,0,0|1,0,0]=3 1231 B14R2.517 O=CN[C@H]1c2ccccc2C[C@@H]1O b71f7e24e50c5d253184613446dcf17a [0,1,0,1,0,0|1,0,0]=3 1232 B14R2.517 O=CN[C@H]1c2ccccc2C[C@H]1O f62363edd4a1bddb5c89a1bb6a3faeeb [0,1,0,1,0,0|1,0,0]=3 1233 B14R2.831 C=CCN(c1ccccc1)C2CC2 4526c5692f94bfcd6f18aeb019b2ae11 [0,1,0,1,0,0|2,0,0]=4 1234 B14R2.831 CCNC(c1ccccc1)C2CC2 51ad2975f94978f857956f55b20471b7 [0,1,0,1,0,0|1,0,1]=4 1235 B14R2.831 CCN[C@@H](c1ccccc1)C2CC2 4efd6237fe73ab1a9cf528d7084a6c26 [0,1,0,1,0,0|1,0,1]=4 1236 B14R2.831 CCN[C@H](c1ccccc1)C2CC2 a9b0834a1ae55572128a15d44eda8f48 [0,1,0,1,0,0|1,0,1]=4 1237 B14R2.831 CCOC(c1ccccc1)C2CC2 60a7f468bee4b43bfc1c6fe590533f0c [0,1,0,1,0,0|1,0,1]=4 1238 B14R2.831 FCNC(c1ccccc1)C2CC2 f2e42153dbc465a07af7d3eadefbb001 [0,1,0,1,0,0|1,0,1]=4 1239 B14R2.831 FCN[C@@H](c1ccccc1)C2CC2 b45d24d14ee48225cf3b3559ce79f844 [0,1,0,1,0,0|1,0,1]=4 1240 B14R2.831 FCN[C@H](c1ccccc1)C2CC2 8f5d0a963e6946baeb087339eaeda205 [0,1,0,1,0,0|1,0,1]=4 1241 B14R2.831 O=CCN(c1ccccc1)C2CC2 fbb53c85d2a97fdb291d2af2009fc499 [0,1,0,1,0,0|1,0,0]=3 1242 B14R2.831 O=CCN(c1ccncc1)C2CC2 8d5c9d83b8d385b18a265f09e00d866b [0,1,0,1,0,0|2,0,0]=4 1243 B14R2.831 O=CNC(c1ccccc1)C2CC2 48ccee446427b1c1cd2632d6aea5b007 [0,1,0,1,0,0|0,0,0]=2 1244 B14R2.831 O=CNC(c1ccccn1)C2CC2 ae3492cf6a600454ca8f7ad790d9de65 [0,1,0,1,0,0|1,0,0]=3 1245 B14R2.831 O=CNC(c1cccnc1)C2CC2 c26209f48c7ac76d729fe99dce2eaa8e [0,1,0,1,0,0|1,0,0]=3 1246 B14R2.831 O=CNC(c1ccncc1)C2CC2 439ca729c422474ace8dd8e031f2b8f4 [0,1,0,1,0,0|1,0,0]=3 1247 B14R2.831 O=CN[C@@H](c1ccccc1)C2CC2 1ed7d3c0378214c5474c02821782ab29 [0,1,0,1,0,0|0,0,0]=2 1248 B14R2.831 O=CN[C@H](c1ccccc1)C2CC2 8a7049fc0be640bc4f953015f5ea8c7e [0,1,0,1,0,0|0,0,0]=2 1249 B14R2.831 O=CN[C@H](c1cccnc1)C2CC2 51206f5234931c482d9e8d3daba91d11 [0,1,0,1,0,0|1,0,0]=3 1250 B14R2.831 OCNC(c1ccccc1)C2CC2 b87f268b2da4c645162799397293eab4 [0,1,0,1,0,0|0,0,2]=4 1251 B14R2.831 OCN[C@@H](c1ccccc1)C2CC2 a7fa06add4505349ea104692c29e5604 [0,1,0,1,0,0|0,0,2]=4 1252 B14R2.831 OCN[C@H](c1ccccc1)C2CC2 b89e24c1c13bcb98f14af2f605fdf8e0 [0,1,0,1,0,0|0,0,2]=4 1253 B14R2.9585 CC(=O)N(c1ccncc1)C2CC2 bfbbcecfe5ca377045827d635ab77c9d [0,1,0,1,0,0|2,0,0]=4 1254 B14R2.203 CC1CCc2ccccc2N1C=O 88fbf4fced30cbd81307bc0286e7b211 [0,1,0,1,0,0|1,0,0]=3 1255 B14R2.203 CC1COc2ccccc2N1C=O 62b126076ad124df7d25492233d4a350 [0,1,0,1,0,0|1,0,0]=3 1256 B14R2.203 C[C@@H]1CCc2ccccc2N1C=O 9a21369d079cc137695d026fdf114814 [0,1,0,1,0,0|1,0,0]=3 1257 B14R2.203 C[C@H]1CCc2ccccc2N1C=O 4437fa3bc3004db65339eb3fb0140a4d [0,1,0,1,0,0|1,0,0]=3 1258 B14R2.1129 O=CN1c2ccccc2CC1CO 543d33a720c3d9bdda06c07c7d18a109 [0,1,0,1,0,0|1,0,0]=3 1259 B14R2.1129 O=CN1c2ccccc2C[C@@H]1CO 0628826b513f3ed420925477e2a9366c [0,1,0,1,0,0|1,0,0]=3 1260 B14R2.1129 O=CN1c2ccccc2C[C@H]1CO f2dc999a83851c08020ed449199bcd55 [0,1,0,1,0,0|1,0,0]=3 1261 B14R2.2850 C=CC(c1ccccc1)N2CCC2 15806bc93b7e25561de7673075203cb4 [0,1,0,1,0,0|2,0,0]=4 1262 B14R2.2850 O=CC(c1ccccc1)N2CCC2 1c612a74ccdb0e570b8c0ec2577c3ef8 [0,1,0,1,0,0|1,0,0]=3 1263 B14R2.2850 O=CN(c1ccccc1)C2CCC2 9a771b6f24e90bf57ca0733a47019e35 [0,1,0,1,0,0|1,0,0]=3 1264 B14R2.19306 CC1c2ccccc2N(C1C)C=O 109e98614a2b47e98355fd3d6ff18ca9 [0,1,0,1,0,0|1,0,0]=3 1265 B14R2.2854 O=CN(c1ccc(cc1)F)C2CC2 1bbdff6d0f729b50d17fcf28e0e97939 [0,1,0,1,0,0|1,0,0]=3 1266 B14R2.4217 CC1Cc2cc(ccc2N1C=O)F 55d97e336775c884e694e3130d6dca8a [0,1,0,1,0,0|1,0,0]=3 1267 B14R2.4217 Cc1ccc2c(c1)CC(N2C=O)C 8097993dc6f5d453abfa143b4d0295a8 [0,1,0,1,0,0|1,0,0]=3 1268 B14R2.127 O=CN(c1ccnc(c1)Br)C2CC2 24491d42b9f4a6aa7fb5e4b1a93a605f [0,1,0,1,0,0|2,0,0]=4 1269 B14R2.4220 C[C@@H]1Cc2c(ccnc2N1C=O)I e530e05e9873ad387c0f34ae7467f8d9 [0,1,0,1,0,0|2,0,0]=4 1270 B14R2.4220 C[C@H]1Cc2c(ccnc2N1C=O)I e6e2de96d154d48ab15eacf26c8c0d85 [0,1,0,1,0,0|2,0,0]=4 1271 B14R2.642 CC(=O)N1c2ccccc2CC1C eb877ebb69e620436e80c8104a810012 [0,1,0,1,0,0|1,0,0]=3 1272 B14R2.642 CC(=O)N1c2ccccc2C[C@@H]1C c2a59de69a177b6af5e759c95e28b2fa [0,1,0,1,0,0|1,0,0]=3 1273 B14R2.642 CC(=O)N1c2ccccc2C[C@H]1C 1ef333da2c689953e56f757e0c11d00e [0,1,0,1,0,0|1,0,0]=3 1274 B14R2.642 CC(=O)N1c2ncccc2CC1C 1e2163aa09097d50826ce664b6482104 [0,1,0,1,0,0|2,0,0]=4 1275 B14R2.3259 O=CN(c1ncccc1I)C2CC2 9ce452d0dcfbc3993ba51e9caa33ebb0 [0,1,0,1,0,0|2,0,0]=4 1276 B12R0.222 C=CCC(C=C)OC(C=O)C(C)C cbef428e84ad4b44cb08367e020cbab4 [0,0,1,0,0,1|0,0,2]=4 1277 B12R1.118 C=C[C@@H](CO)Nc1ccccc1 1f3da2dad53331dc21e491e025398272 [1,0,0,0,0,1|2,0,0]=4 1278 B12R1.118 CCC(C=O)Nc1ccccc1 8973b461ada5e90cb6534721bdd5a0a6 [1,0,0,0,0,1|0,0,0]=2 1279 B12R1.118 CCC(C=O)Nc1ccccn1 2aca9ef2fc34cfed6c8d70ea766b8b1c [1,0,0,0,0,1|1,0,0]=3 1280 B12R1.118 CCC(C=O)Nc1cccnc1 f2a28a3fdb0a09f8d451d38ec59b2c1d [1,0,0,0,0,1|1,0,0]=3 1281 B12R1.118 CCC(C=O)Nc1cccnn1 62881014342741b371e74126b61abe1c [1,0,0,0,0,1|2,0,0]=4 1282 B12R1.118 CCC(C=O)Nc1ccncc1 d2ebcd5e369abce24181da19b91725a5 [1,0,0,0,0,1|1,0,0]=3 1283 B12R1.118 CCC(C=O)Nc1ccncn1 4d8972b2d05970f6fb819f9a9878e3ee [1,0,0,0,0,1|2,0,0]=4 1284 B12R1.118 CCC(C=O)Nc1ccnnc1 60831c00210a90df9b249a3c061781f4 [1,0,0,0,0,1|2,0,0]=4 1285 B12R1.118 CCC(C=O)Nc1cnccn1 99341b63d81bd616ce7085e1f91625d0 [1,0,0,0,0,1|2,0,0]=4 1286 B12R1.118 CCC(C=O)Nc1cncnc1 8db2bbe29abb0edd22ae16792edfb668 [1,0,0,0,0,1|2,0,0]=4 1287 B12R1.118 CCC(C=O)Nc1ncccn1 892e77c0ce05db55e2ad95bb8670de98 [1,0,0,0,0,1|2,0,0]=4 1288 B12R1.118 CCC(C=O)Oc1ccccn1 c237ce22bb3dec565cc31430edd943de [1,0,0,0,0,1|1,0,0]=3 1289 B12R1.118 CCC(C=O)Oc1cccnc1 c02ea9913f6b45411de0698448d19ec4 [1,0,0,0,0,1|1,0,0]=3 1290 B12R1.118 CCC(C=O)Oc1ccncc1 000035e8d103b4bb731e93fa27796c45 [1,0,0,0,0,1|1,0,0]=3 1291 B12R1.118 CCC(C=O)Oc1ccnnc1 60ab764da4899e248f9c94d40d555d71 [1,0,0,0,0,1|2,0,0]=4 1292 B12R1.118 CCC(C=O)Oc1cnccn1 2f3bcf80a6c1a1ba60095979b052dbc0 [1,0,0,0,0,1|2,0,0]=4 1293 B12R1.118 CCC(C=O)Oc1cncnc1 6ea44e2e90ff001fe380f98d1aa461d5 [1,0,0,0,0,1|2,0,0]=4 1294 B12R1.118 CCC(C=O)Oc1ncccn1 7e0a6132f66626159f30fe44ad1e5823 [1,0,0,0,0,1|2,0,0]=4 1295 B12R1.118 CCC(CC)Nc1ccccc1 62a5bbda4663c06f44e205dbfccb7cfa [1,0,0,0,0,1|1,0,1]=4 1296 B12R1.118 CCC(CO)Nc1ccccc1 4bbd0090e2c789b85e6c79fc920a972e [1,0,0,0,0,1|0,0,2]=4 1297 B12R1.118 CCN(C=O)Cc1ccccc1 05bd4b36907bafd365c275012bc499e0 [1,0,0,0,0,1|1,0,0]=3 1298 B12R1.118 CCN(C=O)Cc1ccccn1 b215252a15e4b5709b8ee0b7a35e4b18 [1,0,0,0,0,1|2,0,0]=4 1299 B12R1.118 CCN(C=O)Cc1cccnc1 30cfe04dc8c3ff4b94dfef66857a2c80 [1,0,0,0,0,1|2,0,0]=4 1300 B12R1.118 CCN(C=O)Cc1ccncc1 4059e58ff4f4431f111167a395386acb [1,0,0,0,0,1|2,0,0]=4 1301 B12R1.118 CC[C@@H](CO)Nc1ccccc1 4e6d1044dff6b69bba19855888009bcf [1,0,0,0,0,1|0,0,2]=4 1302 B12R1.118 CC[C@H](CO)Nc1ccccc1 6e84965dfbcccf2d9d399d53a4428cff [1,0,0,0,0,1|0,0,2]=4 1303 B12R1.118 O=CC(C=O)Nc1ccccc1 523bb489c9b7b5e8bfe051ff9eafd67e [1,0,0,0,0,1|1,0,1]=4 1304 B12R1.43 CC(C)C(C)Nc1ccccc1 48093fab6ce2f9bea5eaf7557d6a555a [1,0,0,0,0,1|0,0,1]=3 1305 B12R1.43 CC(C)C(C)Nc1ccccn1 56417f300787c21b824e0c0aa0c41aee [1,0,0,0,0,1|1,0,1]=4 1306 B12R1.43 CC(C)C(C)Nc1cccnc1 d9c105ac720d93c173804a1a7215f55a [1,0,0,0,0,1|1,0,1]=4 1307 B12R1.43 CC(C)C(C)Nc1ccncc1 f569432198f25ecd4f5fab536aa2585a [1,0,0,0,0,1|1,0,1]=4 1308 B12R1.43 CC(C)C(C)Oc1ccccn1 0d1f1b8bafc8f4ae0cafc9a3a285e8fd [1,0,0,0,0,1|1,0,1]=4 1309 B12R1.43 CC(C)C(C)Oc1cccnc1 7dd98d846884613a0fa0dacf726d609e [1,0,0,0,0,1|1,0,1]=4 1310 B12R1.43 CC(C)C(C)Oc1ccncc1 e9f09d2447e1596ae903cb10648aeae2 [1,0,0,0,0,1|1,0,1]=4 1311 B12R1.43 CC(C)N(C)Cc1ccccc1 d5edd43e495581ab07d4c878cf7efc6a [1,0,0,0,0,1|1,0,1]=4 1312 B12R1.43 CC(C)[C@@H](C)Nc1ccccc1 638de983f09ad8573a19e829866f679b [1,0,0,0,0,1|0,0,1]=3 1313 B12R1.43 CC(C)[C@@H](C)Nc1cccnc1 8cc5cb560100920359a30d0b936931d0 [1,0,0,0,0,1|1,0,1]=4 1314 B12R1.43 CC(C)[C@H](C)Nc1ccccc1 37a4cc2968d8598e2dd44bb0f3ee65d4 [1,0,0,0,0,1|0,0,1]=3 1315 B12R1.43 CC(C)[C@H](C)Nc1cccnc1 a0486500948362bfb0f4d9c857b8c881 [1,0,0,0,0,1|1,0,1]=4 1316 B12R1.43 CC(O)C(C)Nc1ccccc1 807016486516eda629177f9c4eb1e753 [1,0,0,0,0,1|1,0,1]=4 1317 B12R1.107 CC(C)CN(C)c1ccccc1 95fef0ba310b862ee7742e989aa00371 [1,0,0,0,0,1|1,0,1]=4 1318 B12R1.107 CC(C)NC(C)c1ccccn1 7a8a49744ff2dc697705e105a4d29b31 [1,0,0,0,0,1|1,0,1]=4 1319 B12R1.107 CC(C)NC(C)c1cccnc1 f83045cb9bb475cbbd0d72c753be3dbb [1,0,0,0,0,1|1,0,1]=4 1320 B12R1.107 CC(C)NC(C)c1ccncc1 4565af1a01c9e3a5c5433e3411958097 [1,0,0,0,0,1|1,0,1]=4 1321 B12R1.107 CC(C)N[C@@H](C)c1ccccn1 5a8182a5c2834a1b8d14a1d525ca73eb [1,0,0,0,0,1|1,0,1]=4 1322 B12R1.107 CC(C)N[C@@H](C)c1cccnc1 bba252309d650ecc30069f3dddd1b105 [1,0,0,0,0,1|1,0,1]=4 1323 B12R1.107 CC(C)N[C@@H](C)c1ccncc1 775d0cb56d3dd6bc4738e2685aee9f6a [1,0,0,0,0,1|1,0,1]=4 1324 B12R1.107 CC(C)N[C@H](C)c1ccccn1 8a594a7c5da3e31c163d1068dcac9471 [1,0,0,0,0,1|1,0,1]=4 1325 B12R1.107 CC(C)N[C@H](C)c1cccnc1 ce94c3a37523dd9db9b3b4f768ea9506 [1,0,0,0,0,1|1,0,1]=4 1326 B12R1.107 CC(C)N[C@H](C)c1ccncc1 a8f7ac5675fa91c5d895f344e2b2bc66 [1,0,0,0,0,1|1,0,1]=4 1327 B12R1.107 CC(C)OC(C)c1ccccc1 c88937e1bba3e11ca71331a692d3263d [1,0,0,0,0,1|0,0,1]=3 1328 B12R1.107 CC(C)OC(C)c1ccccn1 e36bdb169f8c2820d6238217cf2c0c9b [1,0,0,0,0,1|1,0,1]=4 1329 B12R1.107 CC(C)OC(C)c1cccnc1 a720356d264ae2e2bd94268a34af0246 [1,0,0,0,0,1|1,0,1]=4 1330 B12R1.107 CC(C)OC(C)c1ccncc1 dff8cce62d02c112ddba22a89b06b30b [1,0,0,0,0,1|1,0,1]=4 1331 B12R1.107 CC(C)O[C@@H](C)c1ccccc1 cd312c9ad337f3d7e7cf959a697dd297 [1,0,0,0,0,1|0,0,1]=3 1332 B12R1.107 CC(C)O[C@@H](C)c1ccccn1 6a258a3944fb55be34cbeaa329643f08 [1,0,0,0,0,1|1,0,1]=4 1333 B12R1.107 CC(C)O[C@@H](C)c1cccnc1 e078965ffd7282aede11459af9dd81de [1,0,0,0,0,1|1,0,1]=4 1334 B12R1.107 CC(C)O[C@@H](C)c1ccncc1 a72003c25fd185808d9c1b428a24fd38 [1,0,0,0,0,1|1,0,1]=4 1335 B12R1.107 CC(C)O[C@H](C)c1ccccc1 b2ce62b73f9b987a3fea9afe8162e394 [1,0,0,0,0,1|0,0,1]=3 1336 B12R1.107 CC(C)O[C@H](C)c1ccccn1 328ee8bf306075f10d7c4472fab39f5c [1,0,0,0,0,1|1,0,1]=4 1337 B12R1.107 CC(C)O[C@H](C)c1cccnc1 8b46fac7478602a39d5771164fd44ea8 [1,0,0,0,0,1|1,0,1]=4 1338 B12R1.107 CC(C)O[C@H](C)c1ccncc1 0ca354191167bd77b68c3f542b91cfff [1,0,0,0,0,1|1,0,1]=4 1339 B12R1.476 C=CC(NC(C)C)c1ccoc1 115fd9d67ab3dbe05e1df9bc5aedaa3d [0,0,0,0,1,1|2,0,0]=4 1340 B14R1.549 C#CC(Cc1ccccc1)OC(C)C 97a5fa2650645a4fcba9cb9e0473651c [0,0,0,0,0,2|1,0,1]=4 1341 B14R1.549 CC(C)CC(C#N)Nc1ccccc1 ba4235271426596ca2f9904ddeef54d5 [0,0,0,0,0,2|1,0,1]=4 1342 B14R1.549 CC(C)CC(CO)Nc1ccccc1 a4e4a6badebf42189ccd4adc0cd25c6a [0,0,0,0,0,2|0,0,2]=4 1343 B14R1.549 CC(C)CN(C=O)Cc1ccccc1 f56076c4b7ce762bcff70e93aa4b1274 [0,0,0,0,0,2|1,0,0]=3 1344 B14R1.549 CC(C)CN(C=O)Cc1ccccn1 890693bea366c9436b2bb71333ed3e8d [0,0,0,0,0,2|2,0,0]=4 1345 B14R1.549 CC(C)C[C@@H](CO)Nc1ccccc1 a531428d2346fba1c76e3843199c4a36 [0,0,0,0,0,2|0,0,2]=4 1346 B14R1.549 CC(C)C[C@H](CO)Nc1ccccc1 3d949c5d9a65eec2958bb4e40aed2ca7 [0,0,0,0,0,2|0,0,2]=4 1347 B14R1.549 CC(C)NC(C#N)Cc1ccccc1 4b360eb2684a918055b4a10beb19b2b5 [0,0,0,0,0,2|1,0,1]=4 1348 B14R1.549 CC(C)OC(C=O)Cc1ccccc1 abc3a24282c3ececf16cd556f009693c [0,0,0,0,0,2|0,0,0]=2 1349 B14R1.549 CC(O)CN(C=O)Cc1ccccc1 8a9021c9da8fc0423e9366890265eec5 [0,0,0,0,0,2|2,0,0]=4 1350 B14R1.549 C[C@@H](O)CN(C=O)Cc1ccccc1 851a54fca590502b644016af44c689c8 [0,0,0,0,0,2|2,0,0]=4 1351 B14R1.549 C[C@H](O)CN(C=O)Cc1ccccc1 c22d6a2dd002ea8e09d4fed3567265f7 [0,0,0,0,0,2|2,0,0]=4 1352 B14R1.4194 C#CC(OCc1ccccc1)C(C)C 2d00ca2309bc4c407be867dc90ef8f4a [0,0,0,0,0,2|1,0,1]=4 1353 B14R1.4194 C=CC(OCc1ccccc1)C(C)C 4466a843c74ca76359b1bac7831b2cd7 [0,0,0,0,0,2|1,0,0]=3 1354 B14R1.4194 C=CC(OCc1ccccn1)C(C)C 226abc329cf9db43262890f49e15e28d [0,0,0,0,0,2|2,0,0]=4 1355 B14R1.4194 C=CC(OCc1cccnc1)C(C)C 3daccf8a109b9e402ce7a35f240943f6 [0,0,0,0,0,2|2,0,0]=4 1356 B14R1.4194 CC(C)C(C#N)OCc1ccccc1 252d0c58bc19cd0e69a9a49e985cd93e [0,0,0,0,0,2|1,0,1]=4 1357 B14R1.4194 CC(C)C(C=O)NCc1ccccc1 a2347f5aae2b07598bb852ea2edd3c08 [0,0,0,0,0,2|0,0,0]=2 1358 B14R1.4194 CC(C)C(C=O)NCc1ccccn1 aef410a199f98c498b9fbbcec32dd219 [0,0,0,0,0,2|1,0,0]=3 1359 B14R1.4194 CC(C)C(C=O)NCc1cccnc1 717401d33a24e6ae65921c34290b70a5 [0,0,0,0,0,2|1,0,0]=3 1360 B14R1.4194 CC(C)C(C=O)NCc1cccnn1 5171a4edf9909ae7ac2d74ad9784eb89 [0,0,0,0,0,2|2,0,0]=4 1361 B14R1.4194 CC(C)C(C=O)NCc1ccncc1 833be9d040f66f5854e785a0e8d3c754 [0,0,0,0,0,2|1,0,0]=3 1362 B14R1.4194 CC(C)C(C=O)NCc1ccncn1 912fb85fdb3ad324a48a1e5503815bff [0,0,0,0,0,2|2,0,0]=4 1363 B14R1.4194 CC(C)C(C=O)NCc1ccnnc1 a1d4799e33c8cbc67a52a3a977c36fa1 [0,0,0,0,0,2|2,0,0]=4 1364 B14R1.4194 CC(C)C(C=O)NCc1cnccn1 1217d5f7b6a05dc7dd38ecc0ff2d7169 [0,0,0,0,0,2|2,0,0]=4 1365 B14R1.4194 CC(C)C(C=O)NCc1cncnc1 8469292ae6179a5468522b27fcceae3e [0,0,0,0,0,2|2,0,0]=4 1366 B14R1.4194 CC(C)C(C=O)NCc1ncccn1 2455dd72b7c66bc8d8dd765f4101e751 [0,0,0,0,0,2|2,0,0]=4 1367 B14R1.4194 CC(C)C(C=O)OCc1ccccc1 2fcecf10277cfff912005eba15c17704 [0,0,0,0,0,2|0,0,0]=2 1368 B14R1.4194 CC(C)C(C=O)OCc1ccccn1 67cd8f1e41f2c6d8e19a4c903ae4c4a7 [0,0,0,0,0,2|1,0,0]=3 1369 B14R1.4194 CC(C)C(C=O)OCc1cccnc1 e19121183c0801ab16301872774ba003 [0,0,0,0,0,2|1,0,0]=3 1370 B14R1.4194 CC(C)C(C=O)OCc1cccnn1 9a591870665ada16402125e5d645f6ce [0,0,0,0,0,2|2,0,0]=4 1371 B14R1.4194 CC(C)C(C=O)OCc1ccncc1 adc94fe0f7172eb47ce267b317481f3a [0,0,0,0,0,2|1,0,0]=3 1372 B14R1.4194 CC(C)C(C=O)OCc1ccncn1 ce3e68ddca4a629245896f142d085131 [0,0,0,0,0,2|2,0,0]=4 1373 B14R1.4194 CC(C)C(C=O)OCc1ccnnc1 c42085431d11593a6fdce40955531122 [0,0,0,0,0,2|2,0,0]=4 1374 B14R1.4194 CC(C)C(C=O)OCc1cnccn1 0d974652377b2bf6947d3ab148acc1af [0,0,0,0,0,2|2,0,0]=4 1375 B14R1.4194 CC(C)C(C=O)OCc1cncnc1 2fcb441c4e10af55963f06903329136c [0,0,0,0,0,2|2,0,0]=4 1376 B14R1.4194 CC(C)C(C=O)OCc1ncccn1 526e6e52d4297b74830d228241da9be0 [0,0,0,0,0,2|2,0,0]=4 1377 B14R1.4194 CC(C)C(CO)CNc1ccccc1 36cb7650c2dd8dc4391e39ab1dc17433 [0,0,0,0,0,2|0,0,2]=4 1378 B14R1.4194 CC(C)C(CO)NCc1ccccc1 9c3a7568cb7f6ecbf5080b3c14794fa8 [0,0,0,0,0,2|0,0,2]=4 1379 B14R1.4194 CC(C)N(C=O)CCc1ccccc1 d909fc1d717842afd26033321804fec8 [0,0,0,0,0,2|1,0,0]=3 1380 B14R1.4194 CC(C)[C@@H](CO)NCc1ccccc1 826561a33d3c00014d20abfd2dfc6bc7 [0,0,0,0,0,2|0,0,2]=4 1381 B14R1.4194 CC(C)[C@H](CO)NCc1ccccc1 8821861304a088d9311b219e9214eff3 [0,0,0,0,0,2|0,0,2]=4 1382 B14R1.4194 CCC(NCc1ccccc1)C(C)C aa4417437b1d37cb66be6a9cc7b202f0 [0,0,0,0,0,2|1,0,1]=4 1383 B14R1.4194 CCC(OCc1ccccc1)C(C)C a7a3361ac4b2b509377de6d5268c93c2 [0,0,0,0,0,2|1,0,1]=4 1384 B14R1.540 C#CC(OCC(C)C)c1ccccc1 209599e9dbc3367a3b6e70b1013f017c [0,0,0,0,0,2|1,0,1]=4 1385 B14R1.540 C#C[C@@H](OCC(C)C)c1ccccc1 009c7a5284553173794abf47b18323fd [0,0,0,0,0,2|1,0,1]=4 1386 B14R1.540 C#C[C@H](OCC(C)C)c1ccccc1 2f37217c109b6c70bc0380dae68bca3a [0,0,0,0,0,2|1,0,1]=4 1387 B14R1.540 C=C(C)CNC(C=O)c1ccccc1 08a0c81d30e8b97c666ca6d589bd7d8c [0,0,0,0,0,2|0,0,2]=4 1388 B14R1.540 C=CC(NCC(C)C)c1ccccc1 ab2438239b6a8690645df37d8ee46604 [0,0,0,0,0,2|1,0,0]=3 1389 B14R1.540 C=CC(NCC(C)O)c1ccccc1 ab7b1df243c86e358459f36a344849c0 [0,0,0,0,0,2|2,0,0]=4 1390 B14R1.540 C=CC(NCN(C)C)c1ccccc1 df313851fb296f1b23ebd5bbb96b73ca [0,0,0,0,0,2|2,0,0]=4 1391 B14R1.540 C=CC(NC[C@@H](C)O)c1ccccc1 94b429fafd10ac19ce5c2ba84dee78a1 [0,0,0,0,0,2|2,0,0]=4 1392 B14R1.540 C=CC(NC[C@H](C)O)c1ccccc1 b11c3bc9ef154258884918717b9d2c9e [0,0,0,0,0,2|2,0,0]=4 1393 B14R1.540 C=CC(OCC(C)C)c1ccccc1 4ccfe5b259bcff5f814e6a596d3a22d1 [0,0,0,0,0,2|1,0,0]=3 1394 B14R1.540 C=CC(OCC(C)F)c1ccccc1 c89b95014f06dce1a20cbb75264bbbf1 [0,0,0,0,0,2|2,0,0]=4 1395 B14R1.540 C=CC(OCC(C)S)c1ccccc1 dbc5f2bfeb4b466656763d05a9e0484e [0,0,0,0,0,2|2,0,0]=4 1396 B14R1.540 C=CC(OCN(C)C)c1ccccc1 4c5b19dd80ab90149ae2c84bc66c5a74 [0,0,0,0,0,2|2,0,0]=4 1397 B14R1.540 C=CC(OC[C@@H](C)F)c1ccccc1 36bdc69b9a3c320045012cdb18424210 [0,0,0,0,0,2|2,0,0]=4 1398 B14R1.540 C=CC(OC[C@H](C)F)c1ccccc1 c2d28e483aab161d97bb66470d212685 [0,0,0,0,0,2|2,0,0]=4 1399 B14R1.540 C=C[C@@H](NCC(C)C)c1ccccc1 4144eafd7ca60ba16decaeeecd1d6e99 [0,0,0,0,0,2|1,0,0]=3 1400 B14R1.540 C=C[C@@H](NCC(C)O)c1ccccc1 0362dfe826cb9b391650340f8b348d32 [0,0,0,0,0,2|2,0,0]=4 1401 B14R1.540 C=C[C@@H](NCN(C)C)c1ccccc1 3a212bc68789de131697f528916a6e4d [0,0,0,0,0,2|2,0,0]=4 1402 B14R1.540 C=C[C@@H](NC[C@@H](C)O)c1ccccc1 6613318b95940efc600228ff314eb897 [0,0,0,0,0,2|2,0,0]=4 1403 B14R1.540 C=C[C@@H](NC[C@H](C)O)c1ccccc1 2ffadba17e3d12f4e62d5b41d434bbe5 [0,0,0,0,0,2|2,0,0]=4 1404 B14R1.540 C=C[C@H](NCC(C)C)c1ccccc1 6b403fe5765e20a3e7b53bc96a15f4b0 [0,0,0,0,0,2|1,0,0]=3 1405 B14R1.540 C=C[C@H](NCC(C)O)c1ccccc1 ac37ba159f9525c65d3c19bf3a4799ec [0,0,0,0,0,2|2,0,0]=4 1406 B14R1.540 C=C[C@H](NCN(C)C)c1ccccc1 d935926458dbe68c015191a9216c69dc [0,0,0,0,0,2|2,0,0]=4 1407 B14R1.540 C=C[C@H](NC[C@@H](C)O)c1ccccc1 03de0e20e1a84acff160c8e5a8889ad4 [0,0,0,0,0,2|2,0,0]=4 1408 B14R1.540 C=C[C@H](NC[C@H](C)O)c1ccccc1 3184193a66aa42998c6f2e287280e41d [0,0,0,0,0,2|2,0,0]=4 1409 B14R1.540 CC(=O)CNC(C=O)c1ccccc1 71f1886731321c006507149951492f3b [0,0,0,0,0,2|1,0,1]=4 1410 B14R1.540 CC(C)CNC(C#N)c1ccccc1 92360e345a0d87d836cc193b9df37d02 [0,0,0,0,0,2|1,0,1]=4 1411 B14R1.540 CC(C)CNC(C=O)c1ccccc1 946d09a5f224ce05badf74c43992ec3c [0,0,0,0,0,2|0,0,0]=2 1412 B14R1.540 CC(C)CNC(CO)c1ccccc1 48f20b09ad779422d92b953f550cf22a [0,0,0,0,0,2|0,0,2]=4 1413 B14R1.540 CC(C)CN[C@@H](CF)c1ccccc1 2c31e7d0edeb3452a157497d847c919c [0,0,0,0,0,2|1,0,1]=4 1414 B14R1.540 CC(C)CN[C@@H](CO)c1ccccc1 8f0d66b6cdc937ff0e1102cff36b09d4 [0,0,0,0,0,2|0,0,2]=4 1415 B14R1.540 CC(C)CN[C@H](CO)c1ccccc1 9c9d7e70e416aee0565844a1cb5da2cd [0,0,0,0,0,2|0,0,2]=4 1416 B14R1.540 CC(C)COC(C#N)c1ccccc1 461daaa816f3e5318a54b209b6198cd9 [0,0,0,0,0,2|1,0,1]=4 1417 B14R1.540 CC(C)COC(CF)c1ccccc1 508986fcb6835368473e9ca9ca31f77f [0,0,0,0,0,2|1,0,1]=4 1418 B14R1.540 CC(C)CO[C@@H](C#N)c1ccccc1 8eb6832e1a05d6c27fd34d1970bbaa0b [0,0,0,0,0,2|1,0,1]=4 1419 B14R1.540 CC(C)CO[C@H](CF)c1ccccc1 6fa9bcf7514099f68f388c47f28f33b6 [0,0,0,0,0,2|1,0,1]=4 1420 B14R1.540 CC(C)NCC(CO)c1ccccc1 7a91161d7e699962e8153df2cd07db22 [0,0,0,0,0,2|0,0,2]=4 1421 B14R1.540 CC(C)O/C=C(\C=O)/c1ccccc1 75d8318ec6940d98e5c59fd1abb23844 [0,0,0,0,0,2|0,0,1]=3 1422 B14R1.540 CC(C)O/C=C(\C=O)/c1ccccn1 36736c07b615f51f1d6d890df4bbb8ca [0,0,0,0,0,2|1,0,1]=4 1423 B14R1.540 CC(C)O/C=C(\C=O)/c1ccncc1 5b0fde98e05c649131eee8186483652c [0,0,0,0,0,2|1,0,1]=4 1424 B14R1.540 CC(O)CNC(C=O)c1ccccc1 1d8b1a2488fc9d54c23af8f235ca026a [0,0,0,0,0,2|1,0,0]=3 1425 B14R1.540 CCC(COC(C)C)c1ccccc1 73f6335baae2f1dd684422d215e1c5a9 [0,0,0,0,0,2|1,0,1]=4 1426 B14R1.540 CCC(NCC(C)C)c1ccccc1 854dedbe8b6bfb4d64b663d619aa40b5 [0,0,0,0,0,2|1,0,1]=4 1427 B14R1.540 CCC(OCC(C)C)c1ccccc1 218cb5303e169cb3589c67514057dd4a [0,0,0,0,0,2|1,0,1]=4 1428 B14R1.540 CC[C@@H](NCC(C)C)c1ccccc1 ae550d8a705c14bafd3159a8bf9ee00a [0,0,0,0,0,2|1,0,1]=4 1429 B14R1.540 CC[C@@H](OCC(C)C)c1ccccc1 792b052031133232f5d8d5ce5cfb0a30 [0,0,0,0,0,2|1,0,1]=4 1430 B14R1.540 CC[C@H](NCC(C)C)c1ccccc1 58330964da9ef39be5017720a237e7b5 [0,0,0,0,0,2|1,0,1]=4 1431 B14R1.540 CC[C@H](OCC(C)C)c1ccccc1 12eb18917362b4130afb303723d1d4df [0,0,0,0,0,2|1,0,1]=4 1432 B14R1.540 CN(C)CCN(C=O)c1ccccc1 735c65cdbcec5471fbbb1eee0e54f343 [0,0,0,0,0,2|2,0,0]=4 1433 B14R1.540 C[C@@H](O)CNC(C=O)c1ccccc1 7dbe417131c6cb4dd467d4b958ecec9a [0,0,0,0,0,2|1,0,0]=3 1434 B14R1.540 C[C@H](O)CNC(C=O)c1ccccc1 7ff88e9eb2c25345b47ddd865d00b027 [0,0,0,0,0,2|1,0,0]=3 1435 B14R1.540 O=CC(NCC(F)F)c1ccccc1 d5f91424fb093bebd7454a2d167e844b [0,0,0,0,0,2|2,0,0]=4 1436 B14R1.540 O=CC(OCC(F)F)c1ccccc1 9e4e37d46cbf956d4de9d310e4b354b0 [0,0,0,0,0,2|2,0,0]=4