0 B11R1.23 CCN(C)c1cc(ccn1)Br 04e0ce28cf290558a1b5ef23009381b2 [1,0,0,0,0,0|2,0,1]=4 1 B11R1.23 CCN(C)c1cc(ccn1)C a3fb3d506e0aa8bc01390f436b3f57fb [1,0,0,0,0,0|2,0,1]=4 2 B11R1.23 CCN(C)c1cc(ccn1)Cl 3d23dc5ff3e66bd32817f92db7d45321 [1,0,0,0,0,0|2,0,1]=4 3 B11R1.23 CCN(C)c1cc(ccn1)F acdf0fc420fc80413aa8e17060c46482 [1,0,0,0,0,0|2,0,1]=4 4 B11R1.23 CCN(C)c1cc(ccn1)I b295003db51738a864f3881b26ca4115 [1,0,0,0,0,0|2,0,1]=4 5 B11R1.23 CCN(C)c1ccc[n+](c1)[O-] aa3e5a266f6ebeec9cbabc1cd2da24fc [1,0,0,0,0,0|1,0,2]=4 6 B11R1.23 CCN(C)c1cccc(c1)Br b9912e02c1f17bb41ebd144c9e9202ee [1,0,0,0,0,0|1,0,1]=3 7 B11R1.23 CCN(C)c1cccc(c1)F 430101ed975145c517dcbcb463820b73 [1,0,0,0,0,0|1,0,1]=3 8 B11R1.23 CCN(C)c1ccnc(c1)Br 76e6dea3cc6c864be672b3ebb03629f4 [1,0,0,0,0,0|2,0,1]=4 9 B11R1.23 CCN(C)c1ccnc(c1)Cl e1de3c06386e1978d0ddc6f1228b4b70 [1,0,0,0,0,0|2,0,1]=4 10 B11R1.23 CCN(C)c1cncc(c1)Br 4e8a54f314758cec6db1d44208066fb3 [1,0,0,0,0,0|2,0,1]=4 11 B11R1.23 CCN(C)c1cncc(c1)C c586f1c7bab338ac78be772791134673 [1,0,0,0,0,0|2,0,1]=4 12 B11R1.23 CCN(C)c1cncc(c1)F 9ab7e09f4c927efd8d017c75c729608f [1,0,0,0,0,0|2,0,1]=4 13 B11R1.23 CN(C=O)c1cccc(c1)O 61c55a3ac80552d55fb98f08b327401d [1,0,0,0,0,0|1,0,2]=4 14 B11R1.23 CN(CF)c1cccc(c1)Br 7a123ee73cafbdd957621bfb9faccc3f [1,0,0,0,0,0|2,0,1]=4 15 B11R1.23 CN(CF)c1cccc(c1)Cl 3c5b88557b8c81a0b3c7ed9ad71bde08 [1,0,0,0,0,0|2,0,1]=4 16 B11R1.23 CN(CF)c1cccc(c1)F 222030735d42d27fe394bc21ac4ac2c3 [1,0,0,0,0,0|2,0,1]=4 17 B11R1.23 CN(CF)c1cccc(c1)I a4932831bd90a86126da38899926fb81 [1,0,0,0,0,0|2,0,1]=4 18 B11R1.23 CN(CO)c1cccc(c1)Br 338387980ae1b5bd1aeb8f0f3d8c21d1 [1,0,0,0,0,0|2,0,1]=4 19 B11R1.23 CN(CO)c1cccc(c1)Cl cddd29b5bf9afdf9ebf4b5b2535c5ce6 [1,0,0,0,0,0|2,0,1]=4 20 B11R1.23 CN(CO)c1cccc(c1)F 0413508efd514c5105c44e46cec3cac8 [1,0,0,0,0,0|2,0,1]=4 21 B11R1.23 CN(CO)c1cccc(c1)I 1efe9cbcfb545c4004f668bff7e82fc4 [1,0,0,0,0,0|2,0,1]=4 22 B13R1.30 CC(C)(NCF)c1cccc(c1)Br 087ded09b430978da9a7d434934b5707 [0,1,0,0,0,0|3,0,0]=4 23 B13R1.30 CC(C)(NCF)c1cccc(c1)Cl 400dece8bcd9415a6a56d2e45f6ee0a9 [0,1,0,0,0,0|3,0,0]=4 24 B13R1.30 CC(C)(NCF)c1cccc(c1)F f578641c61259349c0a87eef207a756b [0,1,0,0,0,0|3,0,0]=4 25 B13R1.30 CC(C)(NCO)c1cccc(c1)Br 74b6c58ca3cbf14164ca63c32f53f578 [0,1,0,0,0,0|3,0,0]=4 26 B13R1.30 CC(C)(NCO)c1cccc(c1)Cl fb48117d38e577ea59f76187689c3f77 [0,1,0,0,0,0|3,0,0]=4 27 B13R1.30 CC(C)(NCO)c1cccc(c1)F c954490871f52b574e09cc51b22f9756 [0,1,0,0,0,0|3,0,0]=4 28 B13R1.30 CC(C)(OCF)c1cccc(c1)Br 282ec604e76e1eaff810d5f535566ae3 [0,1,0,0,0,0|3,0,0]=4 29 B13R1.30 CC(C)(OCF)c1cccc(c1)Cl 4428af8ffad174ecc3482fd06a0886fd [0,1,0,0,0,0|3,0,0]=4 30 B13R1.30 CC(C)(OCF)c1cccc(c1)F 09d844a7c519bda3b640097b9face668 [0,1,0,0,0,0|3,0,0]=4 31 B13R1.30 CC(C)(OCF)c1cccc(c1)I d40e5260b8fa49e00d60cd3e6d0f428e [0,1,0,0,0,0|3,0,0]=4 32 B13R1.30 CCNC(C)(C)c1cccc(c1)Br afa02861e5ce79f9389cc7b56854fa5e [0,1,0,0,0,0|2,0,0]=3 33 B13R1.30 CCNC(C)(C)c1cccc(c1)C 80d2ac33d4de8c8cab6f434fdc0d1360 [0,1,0,0,0,0|2,0,0]=3 34 B13R1.30 CCNC(C)(C)c1cccc(c1)Cl 09895f8648dfe269c8559058981eca2f [0,1,0,0,0,0|2,0,0]=3 35 B13R1.30 CCNC(C)(C)c1cccc(c1)F 8778fa3cb5d2be81c3a49cfd7e8546c9 [0,1,0,0,0,0|2,0,0]=3 36 B13R1.30 CCNC(C)(C)c1cccc(n1)C f83838966069f00ecc668b1c1455df1f [0,1,0,0,0,0|3,0,0]=4 37 B13R1.30 CCNC(C)(C)c1cccc(n1)Cl 5c2773910914cbdf84e0d7461c150d2e [0,1,0,0,0,0|3,0,0]=4 38 B13R1.30 CCNC(C)(C)c1cccc(n1)F fec690e014135df56ae5808ff497a12f [0,1,0,0,0,0|3,0,0]=4 39 B13R1.30 CCNC(C)(C)c1ccnc(c1)Br 1679a32831f2bbc1299d2f91af1fe924 [0,1,0,0,0,0|3,0,0]=4 40 B13R1.30 CCNC(C)(C)c1ccnc(c1)C c861cc33fdb9cff6677676c1af9d9c47 [0,1,0,0,0,0|3,0,0]=4 41 B13R1.30 CCNC(C)(C)c1ccnc(c1)Cl 1ed616cd4fc82b9c3c8bae7a0816d912 [0,1,0,0,0,0|3,0,0]=4 42 B13R1.30 CCNC(C)(C)c1ccnc(c1)F 94a24f4e6e7ac0ba977329b26d51d26b [0,1,0,0,0,0|3,0,0]=4 43 B13R1.30 CCOC(C)(C)c1cc(ccn1)Br 15d04c702c7e5cd73a839721f7ce576a [0,1,0,0,0,0|3,0,0]=4 44 B13R1.30 CCOC(C)(C)c1cc(ccn1)C 809fb08468b2ccff622fe0a7a83371e9 [0,1,0,0,0,0|3,0,0]=4 45 B13R1.30 CCOC(C)(C)c1cc(ccn1)Cl 1f22ffe057793cfd18c64ecfee79ce5e [0,1,0,0,0,0|3,0,0]=4 46 B13R1.30 CCOC(C)(C)c1cccc(c1)Cl 65ac173a284b36281b722685e1df3bb7 [0,1,0,0,0,0|2,0,0]=3 47 B13R1.30 CCOC(C)(C)c1cccc(c1)F e092ecad55c8396e70648f9b7a1ac4e7 [0,1,0,0,0,0|2,0,0]=3 48 B13R1.30 CCOC(C)(C)c1cccc(c1)I 641b62e41ef1d80fd4a2591055f15bd5 [0,1,0,0,0,0|2,0,0]=3 49 B13R1.30 CCOC(C)(C)c1cccc(n1)Br 8e92726c5bbb37e0641f9ebf925784be [0,1,0,0,0,0|3,0,0]=4 50 B13R1.30 CCOC(C)(C)c1cccc(n1)Cl 6a47bff43c57fdfed4bba9c321549d40 [0,1,0,0,0,0|3,0,0]=4 51 B13R1.30 CCOC(C)(C)c1ccnc(c1)Br e490b4378d71c9bf8db026ebb8eb8937 [0,1,0,0,0,0|3,0,0]=4 52 B13R1.30 CCOC(C)(C)c1ccnc(c1)C 412183819d7bc6df8692185542b84a17 [0,1,0,0,0,0|3,0,0]=4 53 B13R1.30 CCOC(C)(C)c1ccnc(c1)Cl ae2432cefcec5189c7996126e1dbd2b2 [0,1,0,0,0,0|3,0,0]=4 54 B13R1.30 CCOC(C)(C)c1ccnc(c1)F bf543afe10964d9178272818e979fcec [0,1,0,0,0,0|3,0,0]=4 55 B13R1.30 CCOC(C)(C)c1cncc(c1)Cl 7d88d814b3aa08b659a4dca38c6738b3 [0,1,0,0,0,0|3,0,0]=4 56 B13R1.30 CCOC(C)(C)c1cncc(c1)F 3317b7e624d5620fdf45dcde79712921 [0,1,0,0,0,0|3,0,0]=4 57 B13R1.30 Cc1cccc(c1)C(C)(C)NCO b1f9ce7d321fa90025f3b7ee0c81af2c [0,1,0,0,0,0|3,0,0]=4 58 B13R1.30 Cc1cccc(c1)C(C)(C)OCF d3cb2ccab3c749edd240f0fac3a9171c [0,1,0,0,0,0|3,0,0]=4 59 B13R1.250 CC(C)(CO)Nc1cccc(c1)F 9ab3d2b18b95c923e34c5a401ab4997d [0,0,0,0,0,1|3,0,0]=4 60 B13R1.250 CC(C)(CO)Nc1cccc(c1)O 14f0d655723b1116f6ac3cf57a16c5e1 [0,0,0,0,0,1|2,0,0]=3 61 B13R1.250 CCC(C)(C)Nc1cccc(c1)C 6de73abe6af3dc670fe750c494e38f42 [0,0,0,0,0,1|2,0,0]=3 62 B13R1.250 CCC(C)(C)Nc1ccnc(c1)F c809e01594ed6705cb4063f30510b95e [0,0,0,0,0,1|3,0,0]=4 63 B13R1.250 Cc1cccc(c1)NC(C)(C)CF 26bc983c043908bce6986b68e70f741d [0,0,0,0,0,1|3,0,0]=4 64 B13R1.250 Cc1cccc(c1)NC(C)(C)CO cb1f97084bf0ac1ca0a534ba28da1a89 [0,0,0,0,0,1|3,0,0]=4 65 B10R1.15 CCN(C)c1ccccc1 9cc6568b1f30abe04427bdea858da30e [2,0,0,0,0,0|0,0,1]=3 66 B10R1.15 CCN(C)c1cccnc1 04b21f569d4c75e23135eca19e8dfd7f [2,0,0,0,0,0|1,0,1]=4 67 B10R1.15 CCN(C)c1ccncc1 b94b8554b6698451ca404459911593cc [2,0,0,0,0,0|1,0,1]=4 68 B10R1.10 CCNc1cccc(c1)Br 3559ffa0b462d1bd714cf3ca993ed95e [2,0,0,0,0,0|1,0,1]=4 69 B10R1.10 CCNc1cccc(c1)C 7e90094bdff0d2ffec0927834a6a088a [2,0,0,0,0,0|1,0,1]=4 70 B10R1.10 CCNc1cccc(c1)Cl e86c6a0dbdc5ec7691435dfb2bf0caac [2,0,0,0,0,0|1,0,1]=4 71 B10R1.10 CCNc1cccc(c1)F fb10d26ad355d9adf069631a680226b5 [2,0,0,0,0,0|1,0,1]=4 72 B10R1.10 CCNc1cccc(c1)I 9531fa5d8f78367f3126484c4e782fa9 [2,0,0,0,0,0|1,0,1]=4 73 B10R1.10 CCNc1cccc(c1)S a44d310b6eb926e6cc396b05b3cff23a [2,0,0,0,0,0|0,1,1]=4 74 B10R1.10 CCOc1cccc(c1)Br 59b0f5cf1b6eeed19f09ca4b10ff10f6 [2,0,0,0,0,0|2,0,0]=4 75 B10R1.10 CCOc1cccc(c1)C c484b8098bb494764323b4d807c3d871 [2,0,0,0,0,0|2,0,0]=4 76 B10R1.10 CCOc1cccc(c1)Cl 0302a2b3778df08595f07cb1f730b10b [2,0,0,0,0,0|2,0,0]=4 77 B10R1.10 CCOc1cccc(c1)F e3c752114bd9c3d3cb33513b156f9036 [2,0,0,0,0,0|2,0,0]=4 78 B10R1.10 CCOc1cccc(c1)I 0d8a8a4223f2d3d3697a5720204df0bd [2,0,0,0,0,0|2,0,0]=4 79 B10R1.10 CCOc1cccc(c1)S 0a6998f5983825c4343bcc0ed4a9090c [2,0,0,0,0,0|1,1,0]=4 80 B12R1.39 CC(C)(NCF)c1ccccc1 edbd04c0a40b008dee076ea6123b2a3a [1,1,0,0,0,0|2,0,0]=4 81 B12R1.39 CC(C)(NCO)c1ccccc1 fb4c7e5860e9a5887317ede564ff1468 [1,1,0,0,0,0|2,0,0]=4 82 B12R1.39 CC(C)(OCF)c1ccccc1 4b3fad123409f56f69ec037047272502 [1,1,0,0,0,0|2,0,0]=4 83 B12R1.39 CCNC(C)(C)c1ccccc1 2e6683f6142d34cb9ce8cfe15a82fe01 [1,1,0,0,0,0|1,0,0]=3 84 B12R1.39 CCNC(C)(C)c1ccccn1 4f6e0d079cc2a9cc0f86d96102abf7e8 [1,1,0,0,0,0|2,0,0]=4 85 B12R1.39 CCNC(C)(C)c1cccnc1 b4e4ae1c20585deb8ffb975d2bc492ed [1,1,0,0,0,0|2,0,0]=4 86 B12R1.39 CCNC(C)(C)c1ccncc1 312eb57bb5eb67467275597e9da26aa8 [1,1,0,0,0,0|2,0,0]=4 87 B12R1.39 CCOC(C)(C)c1ccccc1 5bcc79794e808b87e35ba44c1bb3e6b7 [1,1,0,0,0,0|1,0,0]=3 88 B12R1.39 CCOC(C)(C)c1ccccn1 797ca043724e54c07f165e71f181676c [1,1,0,0,0,0|2,0,0]=4 89 B12R1.39 CCOC(C)(C)c1cccnc1 f88c29388ee67774182c76accb219923 [1,1,0,0,0,0|2,0,0]=4 90 B12R1.39 CCOC(C)(C)c1ccncc1 d72f4ee0e30cb7d699c48c3671419299 [1,1,0,0,0,0|2,0,0]=4 91 B12R1.13 CCN(C=O)c1cccc(c1)O c24e9df2171a902944c8ed7e8a9c39cb [1,1,0,0,0,0|0,0,2]=4 92 B12R1.13 CCN(CC)c1cccc(c1)Br 2f591c99eb595375d8bc1fb2a9455a44 [1,1,0,0,0,0|1,0,1]=4 93 B12R1.13 CCN(CC)c1cccc(c1)F 1612a8108c027fe8ced6cd18fac67730 [1,1,0,0,0,0|1,0,1]=4 94 B12R1.13 CCN(CF)c1cccc(c1)Br 0beef7a63c7e78248ed8f65042f3264e [1,1,0,0,0,0|1,0,1]=4 95 B12R1.13 CCN(CF)c1cccc(c1)Cl a063cdf6dbec2009a13a3a27f27d3184 [1,1,0,0,0,0|1,0,1]=4 96 B12R1.13 CCN(CF)c1cccc(c1)F 00494da242ed8c05c74df41b2bc8289b [1,1,0,0,0,0|1,0,1]=4 97 B12R1.13 CCN(CO)c1cccc(c1)Br 49746d53646e2fa10cdb4761a0a666c0 [1,1,0,0,0,0|1,0,1]=4 98 B12R1.13 CCN(CO)c1cccc(c1)F 105e4373ca7e83835dff5bbc4b7bdf24 [1,1,0,0,0,0|1,0,1]=4 99 B12R1.17 C=CCN(C)c1cccc(c1)O b2f2ef5ecbd5593bb729a5e0e49d0c58 [1,1,0,0,0,0|0,0,2]=4 100 B12R1.17 CCCN(C)c1cccc(c1)Br 7eb75a8250f95c9697df4917ec6489ae [1,1,0,0,0,0|1,0,1]=4 101 B12R1.17 CCCN(C)c1cccc(c1)Cl 07e726c51710591c3cf839ae947b1a42 [1,1,0,0,0,0|1,0,1]=4 102 B12R1.17 CCCN(C)c1cccc(c1)F af9295ec07040c2649b20d250b5d0681 [1,1,0,0,0,0|1,0,1]=4 103 B12R1.17 CCCN(C)c1cccc(c1)I 91e551f84de58d84b25877bbf8b8f4e6 [1,1,0,0,0,0|1,0,1]=4 104 B12R1.17 CCNC(C)c1cccc(c1)Br e6c9fd584e7feb4e758a650f51e22ccc [1,1,0,0,0,0|2,0,0]=4 105 B12R1.17 CCNC(C)c1cccc(c1)C db8e6428335d8b366ee39d6e277943db [1,1,0,0,0,0|2,0,0]=4 106 B12R1.17 CCNC(C)c1cccc(c1)Cl 51c25d2dceca4ad868198756d2f3ea90 [1,1,0,0,0,0|2,0,0]=4 107 B12R1.17 CCNC(C)c1cccc(c1)F 6a89435cbf3436c2764f23c876d831b5 [1,1,0,0,0,0|2,0,0]=4 108 B12R1.17 CCN[C@@H](C)c1cccc(c1)Br 6882c062be643e6f1479c43382a1f97e [1,1,0,0,0,0|2,0,0]=4 109 B12R1.17 CCN[C@@H](C)c1cccc(c1)C ad1678c586d84563b274dd5bcfd4c65b [1,1,0,0,0,0|2,0,0]=4 110 B12R1.17 CCN[C@@H](C)c1cccc(c1)Cl 85c185ae290690f3266862442a2473d8 [1,1,0,0,0,0|2,0,0]=4 111 B12R1.17 CCN[C@@H](C)c1cccc(c1)F 0dedb0b66bba28f84038e5ae70474542 [1,1,0,0,0,0|2,0,0]=4 112 B12R1.17 CCN[C@@H](C)c1cccc(c1)I e0c90057fd046352ca9827408e1c3425 [1,1,0,0,0,0|2,0,0]=4 113 B12R1.17 CCN[C@H](C)c1cccc(c1)Br 5c6dbc44b6f3f8ec6a8c3fa96245bb1d [1,1,0,0,0,0|2,0,0]=4 114 B12R1.17 CCN[C@H](C)c1cccc(c1)C bb6f09b8be3dec841bef80f5325226bf [1,1,0,0,0,0|2,0,0]=4 115 B12R1.17 CCN[C@H](C)c1cccc(c1)Cl 07473dd26a362400745fd7b6b88adc2a [1,1,0,0,0,0|2,0,0]=4 116 B12R1.17 CCN[C@H](C)c1cccc(c1)F e235faf6f177090ebbe131406ad51bf5 [1,1,0,0,0,0|2,0,0]=4 117 B12R1.17 CCOC(C)c1cccc(c1)Br 42ca494baf4aa0a38e9fb3366b773268 [1,1,0,0,0,0|2,0,0]=4 118 B12R1.17 CCOC(C)c1cccc(c1)C 77489ca20b0c159fdffd29d1744d738a [1,1,0,0,0,0|2,0,0]=4 119 B12R1.17 CCOC(C)c1cccc(c1)Cl d76065522f99861b8f31d7f88c32d628 [1,1,0,0,0,0|2,0,0]=4 120 B12R1.17 CCOC(C)c1cccc(c1)F 724570a61f9c9797e61dce1db0386846 [1,1,0,0,0,0|2,0,0]=4 121 B12R1.17 CCOC(C)c1cccc(c1)I d454d6b1d8844d9b454c0363645bbb70 [1,1,0,0,0,0|2,0,0]=4 122 B12R1.17 CCO[C@@H](C)c1cccc(c1)Br a6bcaa4e35963ce1794b8e13e8f20ac9 [1,1,0,0,0,0|2,0,0]=4 123 B12R1.17 CCO[C@@H](C)c1cccc(c1)C 33dd0e36ecc47e9d30382124af23bb72 [1,1,0,0,0,0|2,0,0]=4 124 B12R1.17 CCO[C@@H](C)c1cccc(c1)Cl a0cb09592617352d4e52595d42a99fc5 [1,1,0,0,0,0|2,0,0]=4 125 B12R1.17 CCO[C@@H](C)c1cccc(c1)F dc0d46b451aae28446975dff011877bb [1,1,0,0,0,0|2,0,0]=4 126 B12R1.17 CCO[C@H](C)c1cccc(c1)Br b1e5cf473b6a64a7764f8f222a9041d3 [1,1,0,0,0,0|2,0,0]=4 127 B12R1.17 CCO[C@H](C)c1cccc(c1)C f495253381fbba7e8b85f8c69e274296 [1,1,0,0,0,0|2,0,0]=4 128 B12R1.17 CCO[C@H](C)c1cccc(c1)Cl 0ea8aa6694bd99a0876fd9dc9ea2a396 [1,1,0,0,0,0|2,0,0]=4 129 B12R1.17 CCO[C@H](C)c1cccc(c1)F e6c9bbadd74036f7f872059480f0031e [1,1,0,0,0,0|2,0,0]=4 130 B12R1.17 CN(CCF)c1cccc(c1)Br 1eaf9c4181adbd967212440571b63008 [1,1,0,0,0,0|1,0,1]=4 131 B12R1.17 CN(CCF)c1cccc(c1)Cl cbcb7740d169c0c913c076593b480cfc [1,1,0,0,0,0|1,0,1]=4 132 B12R1.17 CN(CCF)c1cccc(c1)F 83c9da60dd03b3b5da8cd4ae59ee58f0 [1,1,0,0,0,0|1,0,1]=4 133 B12R1.17 CN(CCF)c1cccc(c1)I e41371a3eeade0126ef6a01f975e53c8 [1,1,0,0,0,0|1,0,1]=4 134 B12R1.17 CN(CCO)c1cccc(c1)Br 20c2812752b1ce00e3d71fccb80c7aa1 [1,1,0,0,0,0|1,0,1]=4 135 B12R1.17 CN(CCO)c1cccc(c1)Cl 88465db1fd69d56d6deff614fef03275 [1,1,0,0,0,0|1,0,1]=4 136 B12R1.17 CN(CCO)c1cccc(c1)F a8bbe18437d5b67c291304f6e51174e1 [1,1,0,0,0,0|1,0,1]=4 137 B12R1.17 CN(CCO)c1cccc(c1)I d744b91b919c38643f6814695e418d73 [1,1,0,0,0,0|1,0,1]=4 138 B12R1.17 CN(CCS)c1cccc(c1)Br 6276545855ec60555b5ea66978905a02 [1,1,0,0,0,0|1,0,1]=4 139 B12R1.17 CN(CCS)c1cccc(c1)Cl d6af42fa463d9692229bcb79ff28abc9 [1,1,0,0,0,0|1,0,1]=4 140 B12R1.17 CN(CCS)c1cccc(c1)F 322e8c9340cbb2f9afbd3b83b310b4aa [1,1,0,0,0,0|1,0,1]=4 141 B12R1.17 CN(CCS)c1cccc(c1)I c5da5a4c1631eccf7f5ec6f9a07b4855 [1,1,0,0,0,0|1,0,1]=4 142 B12R1.17 COCN(C)c1cccc(c1)Br a0b6a01e8a8e903112d08a0ad1b791c6 [1,1,0,0,0,0|1,0,1]=4 143 B12R1.17 COCN(C)c1cccc(c1)C 2630b7af0f24b4920d1bb44ad2a618b8 [1,1,0,0,0,0|1,0,1]=4 144 B12R1.17 COCN(C)c1cccc(c1)Cl c412e0aedf878ea54434f0cf1a2ff9d0 [1,1,0,0,0,0|1,0,1]=4 145 B12R1.17 COCN(C)c1cccc(c1)F 1625ecf140c7f5483d83bb16cd4a78c2 [1,1,0,0,0,0|1,0,1]=4 146 B12R1.17 COCN(C)c1cccc(c1)I 783d0176762cb36e227b85f37b36850b [1,1,0,0,0,0|1,0,1]=4 147 B12R1.17 CSCN(C)c1cccc(c1)Br 795a330043d197d455a0dbb4dd1faaeb [1,1,0,0,0,0|1,0,1]=4 148 B12R1.17 CSCN(C)c1cccc(c1)C 188b9968f6619e59b627ae3886714e8c [1,1,0,0,0,0|1,0,1]=4 149 B12R1.17 CSCN(C)c1cccc(c1)Cl efd04b0516ef59374bbc13602c9800ea [1,1,0,0,0,0|1,0,1]=4 150 B12R1.17 CSCN(C)c1cccc(c1)F e8614a48c46dd0af03a86d07738bdaa7 [1,1,0,0,0,0|1,0,1]=4 151 B12R1.17 CSCN(C)c1cccc(c1)I 255d6996cb175d8309fe361d85d8aa1e [1,1,0,0,0,0|1,0,1]=4 152 B12R1.17 Cc1cccc(c1)N(C)CCO 57169823c45689d92231ab04b18b1e3d [1,1,0,0,0,0|1,0,1]=4 153 B12R1.24 CCN(C)c1cccc(c1Br)Cl 7826f2ebec183ccf19e22d20612cd1a9 [1,1,0,0,0,0|1,0,1]=4 154 B12R1.24 CCN(C)c1cccc(c1F)C a503f4a96f3aa36c74211d7bdf06d4ea [1,1,0,0,0,0|1,0,1]=4 155 B12R1.24 CCN(C)c1cccc(c1N)N 03b3a8cfb6df1300f6a663b1a4b3b7c9 [1,1,0,0,0,0|1,0,1]=4 156 B12R1.225 CC(=O)N(C)c1cccc(c1)O b62a2062012b8a05a602a75783662fb9 [1,1,0,0,0,0|0,0,2]=4 157 B12R1.225 CC(C)N(C)c1cccc(c1)Br 404c236cddda68afae2a72dcb1e91c48 [1,1,0,0,0,0|1,0,1]=4 158 B12R1.225 CC(C)N(C)c1cccc(c1)I 4d85a7a31cabd784005d5d22697530e3 [1,1,0,0,0,0|1,0,1]=4 159 B12R1.354 CCN(C)c1cc(ccc1C)C 2951c7e51bddfe510e17da6912ae0626 [1,1,0,0,0,0|1,0,1]=4 160 B12R1.354 CCN(C)c1cc(ccc1C)Cl 7a3e5ad8b3a16646ed021da3a31d24d9 [1,1,0,0,0,0|1,0,1]=4 161 B12R1.354 CCN(C)c1cc(ccc1C)F c4fc4dc2e0b3b49b203700b734dca392 [1,1,0,0,0,0|1,0,1]=4 162 B12R1.354 CCN(C)c1cc(ccc1C)O 1d7df37622b6af2a32f07849000e2f2b [1,1,0,0,0,0|0,0,1]=3 163 B12R1.354 CCN(C)c1cc(ccc1F)F ddbb016753942f83f818b1a9173489de [1,1,0,0,0,0|1,0,1]=4 164 B12R1.354 CCN(C)c1cc(ccc1N)N 1f1db3a0108dcc0b6ad5fd1161e66e86 [1,1,0,0,0,0|1,0,1]=4 165 B12R1.358 CCN(C)c1cc(cc(c1)Br)C f7ee67f1b5892a3d35079abfb41f6377 [1,1,0,0,0,0|1,0,1]=4 166 B12R1.358 CCN(C)c1cc(cc(c1)Br)Cl 339d6d94c878a305e37ee253b96a21a9 [1,1,0,0,0,0|1,0,1]=4 167 B12R1.358 CCN(C)c1cc(cc(c1)Br)F 9f689ccd31d97909f5a533039ea6aa6b [1,1,0,0,0,0|1,0,1]=4 168 B12R1.358 CCN(C)c1cc(cc(c1)Cl)Cl 3eff46a65d60af5c7402aa2f3e14de9d [1,1,0,0,0,0|1,0,1]=4 169 B12R1.358 CCN(C)c1cc(cc(c1)F)C 0580f11f8c7c350af6dd6b7a40a40f27 [1,1,0,0,0,0|1,0,1]=4 170 B12R1.358 CCN(C)c1cc(cc(c1)F)F d504a3d1bb3228eb971e59805beddbaa [1,1,0,0,0,0|1,0,1]=4 171 B12R1.358 CCN(C)c1cc(cc(c1)N)N d6a37a6a62a304bc1076c4f28b5d4a54 [1,1,0,0,0,0|1,0,1]=4 172 B12R1.358 CCN(C)c1cc(cc(c1)S)F 9680bf2483a35284b4f00c13bd8c3722 [1,1,0,0,0,0|0,1,1]=4 173 B12R1.367 CCN(C)c1ccc(c(c1)C)F e7ba2ae1a972e93ea7db2ad389c88130 [1,1,0,0,0,0|1,0,1]=4 174 B12R1.367 CCN(C)c1ccc(c(c1)F)C d6e478ac109299ffee6e13335e43f568 [1,1,0,0,0,0|1,0,1]=4 175 B12R1.367 CCN(C)c1ccc(c(c1)F)F 6ae91e5725ed6e76ef2553fa515262c6 [1,1,0,0,0,0|1,0,1]=4 176 B12R1.367 CCN(C)c1ccc(c(c1)N)N 6bdbb8baad0f4ad816776320371d3741 [1,1,0,0,0,0|1,0,1]=4 177 B12R1.435 C#Cc1cccc(c1)N(C)CC 1693b423a47cad812006f8039f971f55 [1,1,0,0,0,0|1,0,1]=4 178 B12R1.435 C=Cc1cccc(c1)N(C)CC 714c8233b51d928ea889862c5a0f2288 [1,1,0,0,0,0|1,0,1]=4 179 B12R1.435 CCN(C)c1cc(ccn1)CO 9f5a808ee11f6cdc6e16f45eb7ca0fb1 [1,1,0,0,0,0|1,0,1]=4 180 B12R1.435 CCN(C)c1cc(ccn1)OC f01edf90fba84ee2e195b7cab88a0df4 [1,1,0,0,0,0|1,0,1]=4 181 B12R1.435 CCN(C)c1cccc(c1)C#N 0c9b178fff09ad2e34391933c8cd3c47 [1,1,0,0,0,0|1,0,1]=4 182 B12R1.435 CCN(C)c1cccc(c1)C=O 2ef7af07d9eaa31c02cf7fa95d22c099 [1,1,0,0,0,0|0,0,2]=4 183 B12R1.435 CCN(C)c1cccc(c1)CF b1979152cb9ffeb4ad1dea1ef7840476 [1,1,0,0,0,0|1,0,1]=4 184 B12R1.435 CCN(C)c1cccc(c1)CO c3864e8733cb7d9bbb82a8839a25343f [1,1,0,0,0,0|0,0,1]=3 185 B12R1.435 CCN(C)c1cccc(c1)CS bce8811bbeb14d716b123505c24b446c [1,1,0,0,0,0|0,1,1]=4 186 B12R1.435 CCN(C)c1cccc(c1)OC 0aff2a02bfb874f95c191d1f67ddaca8 [1,1,0,0,0,0|0,0,1]=3 187 B12R1.435 CCN(C)c1cccc(c1)ON 06a90b2e60744bf32bd0f5cea93a0c4c [1,1,0,0,0,0|0,0,1]=3 188 B12R1.435 CCN(C)c1cccc(c1)SC 741080eeb21fb893f243ca67d484f193 [1,1,0,0,0,0|0,1,1]=4 189 B12R1.435 CCN(C)c1cccc(n1)CO 980bdf5db4761cd0d094305f0546f7a0 [1,1,0,0,0,0|1,0,1]=4 190 B12R1.435 CCN(C)c1ccnc(c1)CO 98a2906bd74c4ed11853eb3e58ab3662 [1,1,0,0,0,0|1,0,1]=4 191 B12R1.435 CCN(C)c1cncc(c1)OC 5d308a240f71cfb339082aadafae6740 [1,1,0,0,0,0|1,0,1]=4 192 B12R1.435 CCc1cccc(c1)N(C)CC dffef23df0dbe4f55e454978742ee400 [1,1,0,0,0,0|1,0,1]=4 193 B12R1.435 CN(CF)c1cccc(c1)CO 3a6df4daef291edd8aac3780daddb514 [1,1,0,0,0,0|1,0,1]=4 194 B12R1.435 CN(CO)c1cccc(c1)CO 9aae006338f3acaab52f7cd69c5eb466 [1,1,0,0,0,0|1,0,1]=4 195 B12R1.435 COc1cccc(c1)N(C)CF 810aaa528e097451644610d6c8ed0b75 [1,1,0,0,0,0|1,0,1]=4 196 B12R1.435 COc1cccc(c1)N(C)CO d63dda4f9e5da02f1f21f17376aad17e [1,1,0,0,0,0|1,0,1]=4 197 B14R1.306 CCC(C)(C)N(C)c1cccc(c1)C 9b7d231f7e1e5f4893bd57051b5aa2cd [0,1,0,0,0,1|2,0,0]=4 198 B14R1.306 CCC(C)(C)N(C)c1cccc(c1)F 73049756e811f4d4667985ed78b73fa1 [0,1,0,0,0,1|2,0,0]=4 199 B14R1.3585 C=Cc1cccc(c1)NC(C)(C)CC 1f32b99a70a9d4f3da47b61fc1936c87 [0,1,0,0,0,1|2,0,0]=4 200 B14R1.3585 CC(C)(CF)Nc1cccc(c1)CO 280d6df42db3a352992616b0c6ef81ce [0,1,0,0,0,1|2,0,0]=4 201 B14R1.3585 CC(C)(CF)Nc1cccc(c1)ON 6ab1dd15b3be72e363ff255bb8819942 [0,1,0,0,0,1|2,0,0]=4 202 B14R1.3585 CC(C)(CO)Nc1cccc(c1)CO d50ce5a9bd20531b614d0364b2780b15 [0,1,0,0,0,1|2,0,0]=4 203 B14R1.3585 CC(C)(CO)Nc1cccc(c1)ON 201eb4bbcf3ffa02ed5440665495709c [0,1,0,0,0,1|2,0,0]=4 204 B14R1.3585 CCC(C)(C)Nc1cc(ccn1)CO 571df5066facfbcd7cda4aa60c53bf02 [0,1,0,0,0,1|2,0,0]=4 205 B14R1.3585 CCC(C)(C)Nc1cccc(c1)C=O a5bead9efcba61e7a77bc1fd61b8815a [0,1,0,0,0,1|1,0,1]=4 206 B14R1.3585 CCC(C)(C)Nc1cccc(c1)CF b3469f55eb4462cd81c332b91a7fcf8b [0,1,0,0,0,1|2,0,0]=4 207 B14R1.3585 CCC(C)(C)Nc1cccc(c1)CO 40d0fb09361ce1e4e40b04716fd2faed [0,1,0,0,0,1|1,0,0]=3 208 B14R1.3585 CCC(C)(C)Nc1cccc(c1)CS 9aebd7eb61299fde8831286c8aa43322 [0,1,0,0,0,1|1,1,0]=4 209 B14R1.3585 CCC(C)(C)Nc1cccc(c1)OC 203bdbb72a4ddf8b706d98f3dc1af991 [0,1,0,0,0,1|1,0,0]=3 210 B14R1.3585 CCC(C)(C)Nc1cccc(c1)ON b720d6eeb8aae21a47a1f4b7879d86a6 [0,1,0,0,0,1|1,0,0]=3 211 B14R1.3585 CCC(C)(C)Nc1cccc(c1)SC e55356370a91ac641ab372f320a27c22 [0,1,0,0,0,1|1,1,0]=4 212 B14R1.3585 CCC(C)(C)Nc1ccnc(c1)CO df2769f3debd326401932890f59c3afe [0,1,0,0,0,1|2,0,0]=4 213 B14R1.3585 CCc1cccc(c1)NC(C)(C)CC f2f1f73cf2b72458f543e250134cd930 [0,1,0,0,0,1|2,0,0]=4 214 B14R1.3585 COc1cccc(c1)NC(C)(C)CF 28a44b31f8a42ef6bc1f6ab68180bbff [0,1,0,0,0,1|2,0,0]=4 215 B14R1.3585 COc1cccc(c1)NC(C)(C)CO 48077db6954dca57c6ca578191c3553f [0,1,0,0,0,1|2,0,0]=4 216 B14R1.3635 CC(CO)(CO)Nc1cccc(c1)O 5c3defa2442f145d759ecd1a7926178d [0,1,0,0,0,1|2,0,0]=4 217 B14R1.3635 CCC(C)(CC)Nc1cccc(c1)C 1aa685e412d4637e6bfa76d0a7f5e781 [0,1,0,0,0,1|2,0,0]=4 218 B14R1.3635 CCC(C)(CC)Nc1cccc(c1)F c439cdf414a119fe0feec4dd83902cc9 [0,1,0,0,0,1|2,0,0]=4 219 B14R1.3635 CCC(C)(CO)Nc1cccc(c1)C e78e7f8ee02109af04da121034ccab9c [0,1,0,0,0,1|2,0,0]=4 220 B14R1.3635 CCC(C)(CO)Nc1cccc(c1)F 032c038861e8cfa25bf35bc80dc98b26 [0,1,0,0,0,1|2,0,0]=4 221 B14R1.3635 CCC(C)(CO)Nc1cccc(c1)O 96e3ab9edd59007bfbc2ffbaf6ae93c1 [0,1,0,0,0,1|1,0,0]=3 222 B14R1.4404 CC(=O)C(C)(C)Nc1cccc(c1)O d17957eff688f03527cb9213e9274b8b [0,1,0,0,0,1|1,0,1]=4 223 B14R1.4404 CC(C)C(C)(C)Nc1cccc(c1)F c5ea67eb6bd1fe671195cb076575e41e [0,1,0,0,0,1|2,0,0]=4 224 B14R1.4404 CC(C)C(C)(C)Nc1cccc(c1)S f6d1075d3128e32d1319a500bef8192a [0,1,0,0,0,1|1,1,0]=4 225 B14R1.4404 CC(O)C(C)(C)Nc1cccc(c1)F b7bf7a132f8483481ede6f7b14bdc0c5 [0,1,0,0,0,1|2,0,0]=4 226 B14R1.4404 CC(O)C(C)(C)Nc1cccc(c1)S bca912f24b36620f058c2331f6b48944 [0,1,0,0,0,1|1,1,0]=4 227 B14R1.4404 Cc1cccc(c1)NC(C)(C)C(C)C c369806a145aa4711f2b2d52bb1fdab7 [0,1,0,0,0,1|2,0,0]=4 228 B14R1.4404 Cc1cccc(c1)NC(C)(C)C(C)O ee81b58592667d6055f1952526408a49 [0,1,0,0,0,1|2,0,0]=4 229 B14R1.5606 CC(C)(CF)Nc1cc(cc(c1)F)O a97e298cd44266d6e02a1498358dfb82 [0,1,0,0,0,1|2,0,0]=4 230 B14R1.5606 CC(C)(CF)Nc1cc(cc(c1)O)O 420f75fe1f5035b34bbbd99c50855801 [0,1,0,0,0,1|2,0,0]=4 231 B14R1.5606 CC(C)(CO)Nc1cc(cc(c1)F)O 20ada5249ef2eb3088ea967f0d106cbc [0,1,0,0,0,1|2,0,0]=4 232 B14R1.5606 CC(C)(CO)Nc1cc(cc(c1)O)O 2c82204d90815b9469d063734512ce13 [0,1,0,0,0,1|2,0,0]=4 233 B14R1.5606 CCC(C)(C)Nc1cc(cc(c1)C)C c6b18c62ffe43b061996915c752f4d4c [0,1,0,0,0,1|2,0,0]=4 234 B14R1.5606 CCC(C)(C)Nc1cc(cc(c1)F)C ed10add10e2b3e84f78661036273fb34 [0,1,0,0,0,1|2,0,0]=4 235 B14R1.5606 CCC(C)(C)Nc1cc(cc(c1)F)F b468eea1667ee8c63c2a9d13d610be32 [0,1,0,0,0,1|2,0,0]=4 236 B14R1.5606 CCC(C)(C)Nc1cc(cc(c1)F)O 3d5778e9c0bb3bdc484d5f52d68343df [0,1,0,0,0,1|1,0,0]=3 237 B14R1.5606 CCC(C)(C)Nc1cc(cc(c1)N)N bee4ea9cb34ed29dcfc204d345a881b7 [0,1,0,0,0,1|2,0,0]=4 238 B14R1.5606 CCC(C)(C)Nc1cc(cc(c1)O)C 9db08cf549cce8c10688dd173b38f835 [0,1,0,0,0,1|1,0,0]=3 239 B14R1.5606 CCC(C)(C)Nc1cc(cc(c1)S)F 05b0726b6eba38d44ae020cd784404a9 [0,1,0,0,0,1|1,1,0]=4 240 B14R1.5606 Cc1cc(cc(c1)NC(C)(C)CF)O 8bedfdd5c5b5f71087ec6be2cc2a6d27 [0,1,0,0,0,1|2,0,0]=4 241 B14R1.5606 Cc1cc(cc(c1)NC(C)(C)CO)O e4d6c9e388883c4c29a7215472e012fb [0,1,0,0,0,1|2,0,0]=4 242 B14R1.5612 CC(C)(CO)Nc1ccc(c(c1)O)F 3bdd3be8ab3981559ef10b864fd6c742 [0,1,0,0,0,1|2,0,0]=4 243 B14R1.5612 CC(C)(CO)Nc1ccc(c(c1)O)O d5380234097c547f61ef49575b641b8d [0,1,0,0,0,1|2,0,0]=4 244 B14R1.5612 CCC(C)(C)Nc1ccc(c(c1)F)C 1ea34e184ab25ea4600bb2256b71237c [0,1,0,0,0,1|2,0,0]=4 245 B14R1.5612 CCC(C)(C)Nc1ccc(c(c1)F)F 579e60bc3f3a6e2a1a9570beeda29046 [0,1,0,0,0,1|2,0,0]=4 246 B14R1.5612 CCC(C)(C)Nc1ccc(c(c1)N)N c292a6e68f20b1b7acf00e683b251cae [0,1,0,0,0,1|2,0,0]=4 247 B14R1.5612 Cc1ccc(cc1O)NC(C)(C)CO bab41beadd39691295c1547bf8fdced8 [0,1,0,0,0,1|2,0,0]=4 248 B14R1.6818 CC(C)(CCO)Nc1cccc(c1)F 70d9a9653df07caf4ecb304bed0830fe [0,1,0,0,0,1|2,0,0]=4 249 B14R1.6818 CC(C)(CCO)Nc1cccc(c1)O 1c1b7e821d330b5ad3b16db192ee1471 [0,1,0,0,0,1|1,0,0]=3 250 B14R1.6818 CC(C)(CCO)Nc1cccc(c1)S 568ef30bd771c7c896ac09259e4fa033 [0,1,0,0,0,1|1,1,0]=4 251 B14R1.6818 CCNC(C)(C)Cc1cccc(c1)Br 78ba7c18ea217983d3373eb54c3c357e [0,1,0,0,0,1|2,0,0]=4 252 B14R1.6818 COCC(C)(C)Nc1cccc(c1)C 8db4bd2a160e1a792ee39a9cee33b429 [0,1,0,0,0,1|2,0,0]=4 253 B14R1.6818 COCC(C)(C)Nc1cccc(c1)F 6069a4ef8f6f7ba47e98d31795395f2b [0,1,0,0,0,1|2,0,0]=4 254 B14R1.6818 CSCC(C)(C)Nc1cccc(c1)C 7d226541edb14f5a56c038ade63bec06 [0,1,0,0,0,1|2,0,0]=4 255 B14R1.6818 CSCC(C)(C)Nc1cccc(c1)F 1b09b64793bb16f2af70a4e5cd3c607e [0,1,0,0,0,1|2,0,0]=4 256 B14R1.6818 Cc1cccc(c1)NC(C)(C)CCO 5127d352247db2c1fcc5499ba2269147 [0,1,0,0,0,1|2,0,0]=4 257 B14R1.27 CCOC(C)(C)c1cccc(c1Br)C c2cef0b4fe069de71d7626e5735582a8 [0,2,0,0,0,0|2,0,0]=4 258 B14R1.27 CCOC(C)(C)c1cccc(c1C)C 4c5ace108854e709f5444816d6a38246 [0,2,0,0,0,0|2,0,0]=4 259 B14R1.27 CCOC(C)(C)c1cccc(c1C)Cl 3781c45c04bee91b9498eabd846a5a22 [0,2,0,0,0,0|2,0,0]=4 260 B14R1.27 CCOC(C)(C)c1cccc(c1C)F 16b47eeb2439edeff16b091dad983f37 [0,2,0,0,0,0|2,0,0]=4 261 B14R1.27 CCOC(C)(C)c1cccc(c1Cl)Cl 48e2fbe3b842f735bad15ddd016e46d3 [0,2,0,0,0,0|2,0,0]=4 262 B14R1.27 CCOC(C)(C)c1cccc(c1F)C e7a5ba6648eda7ea0f7e8037dfab722e [0,2,0,0,0,0|2,0,0]=4 263 B14R1.27 CCOC(C)(C)c1cccc(c1F)F e54391d6838a6e5c42d606348340fc19 [0,2,0,0,0,0|2,0,0]=4 264 B14R1.126 CC(C)(CNCF)c1cccc(c1)Cl 14035c768859958f25c63bff35d220b5 [0,2,0,0,0,0|2,0,0]=4 265 B14R1.126 CC(C)(CNCF)c1cccc(c1)F e7abf345c7bb76096dd81c54673bc009 [0,2,0,0,0,0|2,0,0]=4 266 B14R1.126 CC(C)(CNCO)c1cccc(c1)Br 69d54d3731900adb6677ba67783dd005 [0,2,0,0,0,0|2,0,0]=4 267 B14R1.126 CC(C)(CNCO)c1cccc(c1)Cl 43cc16b6c78b20b72fda42850d88e97e [0,2,0,0,0,0|2,0,0]=4 268 B14R1.126 CC(C)(CNCO)c1cccc(c1)F 5763f7bf83792ac5ffda47a0e1e6e095 [0,2,0,0,0,0|2,0,0]=4 269 B14R1.126 CC(C)(COCF)c1cccc(c1)Br 2a588a0e13484ae7279d2ee886a63863 [0,2,0,0,0,0|2,0,0]=4 270 B14R1.126 CC(C)(COCF)c1cccc(c1)F 01233775c5f4fa636f924144bf85e5fc [0,2,0,0,0,0|2,0,0]=4 271 B14R1.126 CC(C)(NCCF)c1cccc(c1)Br bcd809692a9bd40285d9e794809e161a [0,2,0,0,0,0|2,0,0]=4 272 B14R1.126 CC(C)(NCCF)c1cccc(c1)Cl 5fb2d33d560d9b962d8d0e7b56d61e4c [0,2,0,0,0,0|2,0,0]=4 273 B14R1.126 CC(C)(NCCF)c1cccc(c1)F b6e76357d54705488fe2f9851f321fa2 [0,2,0,0,0,0|2,0,0]=4 274 B14R1.126 CC(C)(NCCO)c1cccc(c1)Br affc4e56e24382480259fc6cf8948659 [0,2,0,0,0,0|2,0,0]=4 275 B14R1.126 CC(C)(NCCO)c1cccc(c1)Cl 2f6eae86aa6656897ab1e44459d5ff77 [0,2,0,0,0,0|2,0,0]=4 276 B14R1.126 CC(C)(NCCO)c1cccc(c1)F 59baecdd8692801d345d3d43c4782e11 [0,2,0,0,0,0|2,0,0]=4 277 B14R1.126 CC(C)(NCCS)c1cccc(c1)Br badae654128a770d495c72b9b8a9c4b2 [0,2,0,0,0,0|2,0,0]=4 278 B14R1.126 CC(C)(NCCS)c1cccc(c1)Cl 321df277998975bb106ac314f76133eb [0,2,0,0,0,0|2,0,0]=4 279 B14R1.126 CC(C)(NCCS)c1cccc(c1)F a3289e146b12f0e78c063f633f05aa85 [0,2,0,0,0,0|2,0,0]=4 280 B14R1.126 CC(C)(OCCF)c1cccc(c1)Br cb8cea5d29c326850458227952cb05fa [0,2,0,0,0,0|2,0,0]=4 281 B14R1.126 CC(C)(OCCF)c1cccc(c1)Cl d972754092a289d38775da76a1607930 [0,2,0,0,0,0|2,0,0]=4 282 B14R1.126 CC(C)(OCCF)c1cccc(c1)F 057d021e6ecb9868cd2d2900ed231a76 [0,2,0,0,0,0|2,0,0]=4 283 B14R1.126 CC(C)(OCCF)c1cccc(c1)I 01ed623ae3cdc4f3d0d18f858b05759e [0,2,0,0,0,0|2,0,0]=4 284 B14R1.126 CC(C)(OCCS)c1cccc(c1)Br 557dfa4791ac6926feec9cd57a182669 [0,2,0,0,0,0|2,0,0]=4 285 B14R1.126 CC(C)(OCCS)c1cccc(c1)Cl 20a28d84b2fa62aaa983b28c3ed637cb [0,2,0,0,0,0|2,0,0]=4 286 B14R1.126 CC(C)(OCCS)c1cccc(c1)F ecdd812e0ef84c694476e64820270530 [0,2,0,0,0,0|2,0,0]=4 287 B14R1.126 CC(C)(OCCS)c1cccc(c1)I 9174d5e7b2d17cefa9b56891a2ea3963 [0,2,0,0,0,0|2,0,0]=4 288 B14R1.126 CCCNC(C)(C)c1cccc(c1)Br 2f52c6c610c04e9c3fd9fad3235e532d [0,2,0,0,0,0|2,0,0]=4 289 B14R1.126 CCCNC(C)(C)c1cccc(c1)C 4d2eb55641c495e593f3174003edc3b0 [0,2,0,0,0,0|2,0,0]=4 290 B14R1.126 CCCNC(C)(C)c1cccc(c1)Cl 5b1571d4e4f4845f148931ab2bc44c0b [0,2,0,0,0,0|2,0,0]=4 291 B14R1.126 CCCNC(C)(C)c1cccc(c1)F 60cd654f41264ba9ff44554f25aae6b2 [0,2,0,0,0,0|2,0,0]=4 292 B14R1.126 CCCOC(C)(C)c1cccc(c1)Br b3c149e88bc69d13a5c74613acd2fb03 [0,2,0,0,0,0|2,0,0]=4 293 B14R1.126 CCCOC(C)(C)c1cccc(c1)C 721a2b5c4c9c74cf0e1dac19218bd22d [0,2,0,0,0,0|2,0,0]=4 294 B14R1.126 CCCOC(C)(C)c1cccc(c1)Cl 7705f7f794e7f325116fe168e0d09bac [0,2,0,0,0,0|2,0,0]=4 295 B14R1.126 CCCOC(C)(C)c1cccc(c1)F 47b0e65c5699d5b8cb4b6febb6bc7a0a [0,2,0,0,0,0|2,0,0]=4 296 B14R1.126 CCCOC(C)(C)c1cccc(c1)I f5fa374d130b0f7cff5b0d3ea4186e71 [0,2,0,0,0,0|2,0,0]=4 297 B14R1.126 CCNCC(C)(C)c1cccc(c1)Br 5b97df7f964f6ccb6f2dc7a3948e7f7b [0,2,0,0,0,0|2,0,0]=4 298 B14R1.126 CCNCC(C)(C)c1cccc(c1)Cl dcb99d90100026a2dcb66628ead47393 [0,2,0,0,0,0|2,0,0]=4 299 B14R1.126 CCNCC(C)(C)c1cccc(c1)F 523181231219752419a7e6c22151962f [0,2,0,0,0,0|2,0,0]=4 300 B14R1.126 CCOCC(C)(C)c1cccc(c1)Br ec3aa4387179254caef87d69214f269e [0,2,0,0,0,0|2,0,0]=4 301 B14R1.126 CCOCC(C)(C)c1cccc(c1)F 777d14800638254dd57a82508894439d [0,2,0,0,0,0|2,0,0]=4 302 B14R1.126 COCNC(C)(C)c1cccc(c1)Br 93354d1ec5017292ef5e6fa80576b0fd [0,2,0,0,0,0|2,0,0]=4 303 B14R1.126 COCNC(C)(C)c1cccc(c1)C 6d38dd30f60bb80e4935b05c7f9f39c0 [0,2,0,0,0,0|2,0,0]=4 304 B14R1.126 COCNC(C)(C)c1cccc(c1)Cl 7b659c82ffaac6672e57528694b68e30 [0,2,0,0,0,0|2,0,0]=4 305 B14R1.126 COCNC(C)(C)c1cccc(c1)F b7215aea75498b201c4d109c4ecaf2f3 [0,2,0,0,0,0|2,0,0]=4 306 B14R1.126 COCOC(C)(C)c1cccc(c1)Br 0de0e8b7f3f4b55ccd6284994ce3faaf [0,2,0,0,0,0|2,0,0]=4 307 B14R1.126 COCOC(C)(C)c1cccc(c1)Cl d4112f11b9fc91939d488f0701bd6e9c [0,2,0,0,0,0|2,0,0]=4 308 B14R1.126 COCOC(C)(C)c1cccc(c1)F c9af16bfd872108d8337b09694a742a2 [0,2,0,0,0,0|2,0,0]=4 309 B14R1.126 COCOC(C)(C)c1cccc(c1)I e18c201dc43552ca526e2778bf346a5b [0,2,0,0,0,0|2,0,0]=4 310 B14R1.126 CSCNC(C)(C)c1cccc(c1)Br 4189fd51af403540adfbe3d5d6a81acf [0,2,0,0,0,0|2,0,0]=4 311 B14R1.126 CSCNC(C)(C)c1cccc(c1)C a7b24d69abf306fcba33f0d86034b879 [0,2,0,0,0,0|2,0,0]=4 312 B14R1.126 CSCNC(C)(C)c1cccc(c1)Cl 4dd23cd3fb686e4cd31d9e2ef9d1ace5 [0,2,0,0,0,0|2,0,0]=4 313 B14R1.126 CSCNC(C)(C)c1cccc(c1)F fca0192f2526f08df4a4d56f74f768ce [0,2,0,0,0,0|2,0,0]=4 314 B14R1.126 CSCOC(C)(C)c1cccc(c1)Br b0c1d8d17ddf79f2c77311e81937a625 [0,2,0,0,0,0|2,0,0]=4 315 B14R1.126 CSCOC(C)(C)c1cccc(c1)C 9b4bcafbc31cfb9faf886b3b043925f9 [0,2,0,0,0,0|2,0,0]=4 316 B14R1.126 CSCOC(C)(C)c1cccc(c1)Cl d57316a5cf94df67cecc270a1d76e71e [0,2,0,0,0,0|2,0,0]=4 317 B14R1.126 CSCOC(C)(C)c1cccc(c1)F f64cc69632c50b34611dc16b3846a05a [0,2,0,0,0,0|2,0,0]=4 318 B14R1.126 CSCOC(C)(C)c1cccc(c1)I 2b1642c99330d38005a9c91ce2931319 [0,2,0,0,0,0|2,0,0]=4 319 B14R1.126 Cc1cccc(c1)C(C)(C)NCCF ee8da9e16d5c79cacd0dc9bffd8b08b6 [0,2,0,0,0,0|2,0,0]=4 320 B14R1.126 Cc1cccc(c1)C(C)(C)NCCO 8b7bc6d96b302c51164a19df10aed0fc [0,2,0,0,0,0|2,0,0]=4 321 B14R1.126 Cc1cccc(c1)C(C)(C)NCCS 8a15ffc0ff34ac9020855620109a537e [0,2,0,0,0,0|2,0,0]=4 322 B14R1.126 Cc1cccc(c1)C(C)(C)OCCF f801955f30b8dae8d7945519b31ac932 [0,2,0,0,0,0|2,0,0]=4 323 B14R1.126 Cc1cccc(c1)C(C)(C)OCCS 68f004d4f1ae1241f77bdafe37c825f5 [0,2,0,0,0,0|2,0,0]=4 324 B14R1.513 CCC(C)(OCF)c1cccc(c1)C 38146273c201ac1cb2896209a40f05a6 [0,2,0,0,0,0|2,0,0]=4 325 B14R1.513 CCNC(C)(CO)c1cccc(c1)Cl 8e6bcd00bad062a3daacfc597f50d2ee [0,2,0,0,0,0|2,0,0]=4 326 B14R1.513 CCNC(C)(CO)c1cccc(c1)F b85fc7dc6b433bb427eca694826895c0 [0,2,0,0,0,0|2,0,0]=4 327 B14R1.3169 CCOC(C)(C)c1cc(ccc1Br)Cl 2f57bf0b150f75da57d3704d3155f65f [0,2,0,0,0,0|2,0,0]=4 328 B14R1.3169 CCOC(C)(C)c1cc(ccc1Br)F 5baad4002d4713e36537ae06a29e8e25 [0,2,0,0,0,0|2,0,0]=4 329 B14R1.3169 CCOC(C)(C)c1cc(ccc1C)C 9d001aff84bd1078ddb13329d720467b [0,2,0,0,0,0|2,0,0]=4 330 B14R1.3169 CCOC(C)(C)c1cc(ccc1C)Cl c601ef8d883c286483058db9da81923e [0,2,0,0,0,0|2,0,0]=4 331 B14R1.3169 CCOC(C)(C)c1cc(ccc1C)F 44d7e054cf8408d4226d38454589eeee [0,2,0,0,0,0|2,0,0]=4 332 B14R1.3169 CCOC(C)(C)c1cc(ccc1Cl)Cl 03ff54976e8a8cc4edb68698c9c39848 [0,2,0,0,0,0|2,0,0]=4 333 B14R1.3169 CCOC(C)(C)c1cc(ccc1F)C 5a7e387875da5984869885ed3c19fd3a [0,2,0,0,0,0|2,0,0]=4 334 B14R1.3169 CCOC(C)(C)c1cc(ccc1F)Cl 44152b2ac41804c35b140ded2b53e06a [0,2,0,0,0,0|2,0,0]=4 335 B14R1.3169 CCOC(C)(C)c1cc(ccc1F)I 1fae036997e38c1b8167ef9cd88edad9 [0,2,0,0,0,0|2,0,0]=4 336 B14R1.3173 CCNC(C)(C)c1cc(cc(c1)C)C 5134ec3d55197b32eefb802c317bc711 [0,2,0,0,0,0|2,0,0]=4 337 B14R1.3173 CCNC(C)(C)c1cc(cc(c1)Cl)Cl bc72dd7481efa1cb7371a1922ab87538 [0,2,0,0,0,0|2,0,0]=4 338 B14R1.3173 CCNC(C)(C)c1cc(cc(c1)F)F be14293fea71cf4b8f6f9f343fe83d7d [0,2,0,0,0,0|2,0,0]=4 339 B14R1.3173 CCOC(C)(C)c1cc(cc(c1)Br)C 50425933ac7d0e73d7fb9b8bd0508407 [0,2,0,0,0,0|2,0,0]=4 340 B14R1.3173 CCOC(C)(C)c1cc(cc(c1)Br)Cl db428e7f54e679e730d8401eec29e4fb [0,2,0,0,0,0|2,0,0]=4 341 B14R1.3173 CCOC(C)(C)c1cc(cc(c1)Br)F 77425eb81893eadbe34c7dacebb84396 [0,2,0,0,0,0|2,0,0]=4 342 B14R1.3173 CCOC(C)(C)c1cc(cc(c1)C)C 87affbe19adf82c252bc2cc7fb814717 [0,2,0,0,0,0|2,0,0]=4 343 B14R1.3173 CCOC(C)(C)c1cc(cc(c1)Cl)C e5bd72a0520c61b445ab3d05de26bedb [0,2,0,0,0,0|2,0,0]=4 344 B14R1.3173 CCOC(C)(C)c1cc(cc(c1)Cl)Cl f9a62cf8412ae6116693c7550d0e3125 [0,2,0,0,0,0|2,0,0]=4 345 B14R1.3173 CCOC(C)(C)c1cc(cc(c1)F)C f0736bcf6c30b4c3feca045ab2227960 [0,2,0,0,0,0|2,0,0]=4 346 B14R1.3173 CCOC(C)(C)c1cc(cc(c1)F)F a06d11ade30a458302744174fdf9732b [0,2,0,0,0,0|2,0,0]=4 347 B14R1.3183 CCNC(C)(C)c1cc(ccn1)OC f8d60c65ee584fd6a6fe868c798c342f [0,2,0,0,0,0|2,0,0]=4 348 B14R1.3183 CCNC(C)(C)c1cccc(c1)OC 9ec0d2c9ff3eeb9a7a115c7007bbced9 [0,2,0,0,0,0|1,0,0]=3 349 B14R1.3183 CCNC(C)(C)c1cccc(n1)OC 8baecb38426e127c882f3b1c623ec431 [0,2,0,0,0,0|2,0,0]=4 350 B14R1.3183 CCNC(C)(C)c1ccnc(c1)OC 306dd7a40eca1330b5f028a06bb53bec [0,2,0,0,0,0|2,0,0]=4 351 B14R1.3183 CCOC(C)(C)c1cc(ccn1)OC 14c4ac313c19d76e93056444e5b51785 [0,2,0,0,0,0|2,0,0]=4 352 B14R1.3183 CCOC(C)(C)c1cccc(c1)C#N 06a317846e8f9c76d89b1e7c9a1fb26e [0,2,0,0,0,0|2,0,0]=4 353 B14R1.3183 CCOC(C)(C)c1cccc(c1)C=O a1134ae1f9ac6e113a44556a587a7bbe [0,2,0,0,0,0|1,0,1]=4 354 B14R1.3183 CCOC(C)(C)c1cccc(c1)CC 28531d6ddb285a3d93f8158009ef7350 [0,2,0,0,0,0|2,0,0]=4 355 B14R1.3183 CCOC(C)(C)c1cccc(c1)OC f5cefbbe548fb80251c5ff7f846767dd [0,2,0,0,0,0|1,0,0]=3 356 B14R1.3183 COc1cccc(c1)C(C)(C)NCF 348d33fe773cb3fc8503c2b463b69115 [0,2,0,0,0,0|2,0,0]=4 357 B14R1.3183 COc1cccc(c1)C(C)(C)NCO e5dd116506ace71d15b40c7885169def [0,2,0,0,0,0|2,0,0]=4 358 B14R1.3183 COc1cccc(c1)C(C)(C)OCF d85b31032ae3fee97587adfaa652374b [0,2,0,0,0,0|2,0,0]=4 359 B14R1.3190 CCNC(C)(C)c1ccc(c(c1)C)F 34335472f0f7ae1ae53b170187d6ef82 [0,2,0,0,0,0|2,0,0]=4 360 B14R1.3190 CCNC(C)(C)c1ccc(c(c1)Cl)Cl 0a11e21b3453d912ec4d29be54e14ee4 [0,2,0,0,0,0|2,0,0]=4 361 B14R1.3190 CCNC(C)(C)c1ccc(c(c1)F)F f299af22d75d02923c4479b021765cb4 [0,2,0,0,0,0|2,0,0]=4 362 B14R1.3190 CCOC(C)(C)c1ccc(c(c1)C)C 1b3043026bed8ae36fbd2451a122e0a4 [0,2,0,0,0,0|2,0,0]=4 363 B14R1.3190 CCOC(C)(C)c1ccc(c(c1)C)Cl 0b7bf9ed5b8c0ecba0bbb65c4f2e294b [0,2,0,0,0,0|2,0,0]=4 364 B14R1.3190 CCOC(C)(C)c1ccc(c(c1)C)F e3d8b71486a733e41c7503e83d7d525a [0,2,0,0,0,0|2,0,0]=4 365 B14R1.3190 CCOC(C)(C)c1ccc(c(c1)Cl)Br 2403de5e8f578e9676eb7c2c22012c41 [0,2,0,0,0,0|2,0,0]=4 366 B14R1.3190 CCOC(C)(C)c1ccc(c(c1)Cl)Cl 03fb7be9b22b6002924f05b6868ed7e1 [0,2,0,0,0,0|2,0,0]=4 367 B14R1.3190 CCOC(C)(C)c1ccc(c(c1)Cl)F a23b37b8eb1a65c517cfbaef6f3869fa [0,2,0,0,0,0|2,0,0]=4 368 B14R1.3190 CCOC(C)(C)c1ccc(c(c1)F)C 3ea5e16e78ce21ff081a23c27568b53e [0,2,0,0,0,0|2,0,0]=4 369 B14R1.3190 CCOC(C)(C)c1ccc(c(c1)F)Cl c5318f6fd676ec00633d6989e380f01f [0,2,0,0,0,0|2,0,0]=4 370 B14R1.3190 CCOC(C)(C)c1ccc(c(c1)F)F 9e0dc46f703919a8e570a50dca974b88 [0,2,0,0,0,0|2,0,0]=4 371 B14R1.4403 CC(C)NC(C)(C)c1cccc(c1)F 4a7cd6cf8ccbbe2d1ea7a71e941613d6 [0,2,0,0,0,0|2,0,0]=4 372 B14R1.4403 CC(C)OC(C)(C)c1cccc(c1)Br c46849ebf7525d9e179e79169a001fe2 [0,2,0,0,0,0|2,0,0]=4 373 B14R1.4403 CC(C)OC(C)(C)c1cccc(c1)Cl c7af709c309d70bc2b1f65d05af561b1 [0,2,0,0,0,0|2,0,0]=4 374 B14R1.4403 CC(C)OC(C)(C)c1cccc(c1)F d1ca8bab4d5f9735a8ba7f2e9b5c1f6b [0,2,0,0,0,0|2,0,0]=4 375 B14R1.4403 CC(C)OC(C)(C)c1cccc(c1)I 0c3b9ab69aef3a712316709aa1c925d0 [0,2,0,0,0,0|2,0,0]=4 376 B14R1.6661 CCC(C)(C)c1cccc(c1)NC#N 9430a432b8529174ea896eb7bce5faed [0,2,0,0,0,0|2,0,0]=4 377 B14R2.4479 Cc1cccc(c1)NC2(CCC2)C 4bc279c1fb1920de8b3f8645e00785df [0,0,0,1,0,1|2,0,0]=4 378 B14R2.824 CCNC1(CC1)c2cccc(c2)Br 71d60975aff141e0e462051afac3fa98 [0,1,0,1,0,0|2,0,0]=4 379 B14R2.824 CCNC1(CC1)c2cccc(c2)C 7d758c54a3c15a3968c26e9b987b82dc [0,1,0,1,0,0|2,0,0]=4 380 B14R2.824 CCNC1(CC1)c2cccc(c2)Cl e9e09ee58bc346591f9d554e8c84fd78 [0,1,0,1,0,0|2,0,0]=4 381 B14R2.824 CCNC1(CC1)c2cccc(c2)F efdc601cf5f3d58cac3f44d8625d503a [0,1,0,1,0,0|2,0,0]=4 382 B14R2.824 CCNC1(CC1)c2cccc(c2)I 0207d94982a7a0720469e458c6d00104 [0,1,0,1,0,0|2,0,0]=4 383 B12R1.194 CC(C)(CF)Nc1ccccc1 b6beb5eadcdeb337f0158c8ad0d8b555 [1,0,0,0,0,1|2,0,0]=4 384 B12R1.194 CC(C)(CO)Nc1ccccc1 30670d11326256bdda695fca46d82a64 [1,0,0,0,0,1|2,0,0]=4 385 B12R1.194 CCC(C)(C)Nc1ccccc1 17a09be9f9cdec5da28d382a8493f798 [1,0,0,0,0,1|1,0,0]=3 386 B12R1.194 CCC(C)(C)Nc1cccnc1 8aca00507b17dbddb1ede8afa8bba163 [1,0,0,0,0,1|2,0,0]=4 387 B12R1.50 CCC(C)Nc1cccc(c1)Br 1d66578ce06ff9734ac9091e085e6a07 [1,0,0,0,0,1|2,0,0]=4 388 B12R1.50 CCC(C)Nc1cccc(c1)C d7cf6e3b62030f874de6f1eb9d16cf4f [1,0,0,0,0,1|2,0,0]=4 389 B12R1.50 CCC(C)Nc1cccc(c1)Cl 08bdcd143bf3141bf35886f1a7a48241 [1,0,0,0,0,1|2,0,0]=4 390 B12R1.50 CCC(C)Nc1cccc(c1)F abc1ee7f668b8358dc6ca8fd4a50a6d5 [1,0,0,0,0,1|2,0,0]=4 391 B12R1.50 CCC(C)Nc1cccc(c1)I bc6d04f9805b80597b81c6888c542900 [1,0,0,0,0,1|2,0,0]=4 392 B12R1.50 CCC(C)Nc1cccc(c1)S 2cd18a9ced79be6a90be5bf41232bef9 [1,0,0,0,0,1|1,1,0]=4 393 B12R1.50 CCC(C)Oc1cccc(c1)Br 11f5b596601cd571c59ff2afebc8ce7a [1,0,0,0,0,1|2,0,0]=4 394 B12R1.50 CCC(C)Oc1cccc(c1)C 9cbbc47209d16c8e877df0d39e5bcab2 [1,0,0,0,0,1|2,0,0]=4 395 B12R1.50 CCC(C)Oc1cccc(c1)Cl 3dfa34a86dfbb1225b2fc77d38aaa045 [1,0,0,0,0,1|2,0,0]=4 396 B12R1.50 CCC(C)Oc1cccc(c1)F 11c1cebedbe6e61c8d433bebe0c72b96 [1,0,0,0,0,1|2,0,0]=4 397 B12R1.50 CCC(C)Oc1cccc(c1)I 7ed5e0b105802053e06ca681572fa199 [1,0,0,0,0,1|2,0,0]=4 398 B12R1.50 CCC(C)Oc1cccc(c1)S 4218a788a21d0fc160d2648a272c1309 [1,0,0,0,0,1|1,1,0]=4 399 B12R1.50 CCN(C)Cc1cccc(c1)Br 0cfb611857c5cb7cc30f39c3873140b0 [1,0,0,0,0,1|1,0,1]=4 400 B12R1.50 CCN(C)Cc1cccc(c1)C 53ad3a118e4ee122b8b7018696871a03 [1,0,0,0,0,1|1,0,1]=4 401 B12R1.50 CCN(C)Cc1cccc(c1)Cl e6a716bb03372171d841e30f8f33fb19 [1,0,0,0,0,1|1,0,1]=4 402 B12R1.50 CCN(C)Cc1cccc(c1)F f82e676ee923805ac44e861b9bf86187 [1,0,0,0,0,1|1,0,1]=4 403 B12R1.50 CCN(C)Cc1cccc(c1)I e43924ee04038b2970f0d94ad73ebdd0 [1,0,0,0,0,1|1,0,1]=4 404 B12R1.50 CC[C@@H](C)Nc1cccc(c1)C 45d939f81c7b7d38cc39ca453cc6d8b9 [1,0,0,0,0,1|2,0,0]=4 405 B12R1.50 CC[C@H](C)Nc1cccc(c1)C 5181036d0ad680b57bb138220216ae0c [1,0,0,0,0,1|2,0,0]=4 406 B12R1.119 CC(C)(C)Nc1cccc(c1)F 058f11174665294bc6a7120d8cf40fe3 [1,0,0,0,0,1|2,0,0]=4 407 B12R1.119 CC(C)(C)Nc1cccc(c1)S ae373faa66a0562332ee24065ad1032d [1,0,0,0,0,1|1,1,0]=4 408 B12R1.119 Cc1cccc(c1)NC(C)(C)C 62708c2bd281ff9df156c2aea8165c63 [1,0,0,0,0,1|2,0,0]=4 409 B14R1.294 CCC(C)(C)CNc1cccc(c1)C be12e4d9b985836dce2b7435f1717eb3 [0,0,0,0,0,2|2,0,0]=4 410 B14R1.294 CCC(C)(C)CNc1cccc(c1)F 733e007ab1c2881eb8861444400daded [0,0,0,0,0,2|2,0,0]=4 411 B14R1.294 CCC(C)(C)NCc1cccc(c1)Br 0d0bc1c26f7d698f588960ceff0bb61f [0,0,0,0,0,2|2,0,0]=4 412 B14R1.294 CCC(C)(C)NCc1cccc(c1)C fb06be021f2cbaec87ceaf7273456983 [0,0,0,0,0,2|2,0,0]=4 413 B14R1.294 CCC(C)(C)NCc1cccc(c1)Cl 8b552ab95032160eb7e1c7bc4f49596e [0,0,0,0,0,2|2,0,0]=4 414 B14R1.294 CCC(C)(C)NCc1cccc(c1)F a0c41895de183bd945f0e6c09f62bacf [0,0,0,0,0,2|2,0,0]=4 415 B14R1.294 CCC(C)(C)NCc1cccc(c1)I afb8f0f259ef9142e51f2c8dc97ff222 [0,0,0,0,0,2|2,0,0]=4