0 B18R1.11533 C=CCOC(C(=O)N(CC)CC)c1ccccc1 bf8d50a0630adf4a20115e06b470e8a7 [0,0,1,0,0,0|2,0,1]=4 1 B18R1.11533 C=CCO[C@@H](C(=O)N(CC)CC)c1ccccc1 47899f162b103d6764ad3732a9052113 [0,0,1,0,0,0|2,0,1]=4 2 B18R1.11533 C=CCO[C@H](C(=O)N(CC)CC)c1ccccc1 591c07f720a99e141c27e168b9980f56 [0,0,1,0,0,0|2,0,1]=4 3 B18R1.11533 CCN(CC)C(=O)C(NCCI)c1ccccc1 d01f32a990404375451dfeddbd85d5a0 [0,0,1,0,0,0|2,0,0]=3 4 B18R1.11533 CCN(CC)C(=O)C(OCC=O)c1ccccc1 eb4c9fb1ea2a7a7b5ed2eb6260ae2a7a [0,0,1,0,0,0|2,0,1]=4 5 B18R1.11533 CCN(CC)C(=O)C(OCCF)c1ccccc1 7f8377d105c23557cc0dfac6982805da [0,0,1,0,0,0|2,0,0]=3 6 B18R1.11533 CCN(CC)C(=O)C(OCCS)c1ccccc1 bb82f00175e03dd13a5abf6709ece2d6 [0,0,1,0,0,0|2,0,0]=3 7 B18R1.11533 CCN(CC)C(=O)C(OCOC)c1ccccc1 95acfdf1c964388e21e6795a41027372 [0,0,1,0,0,0|3,0,0]=4 8 B18R1.11533 CCN(CC)C(=O)C(OCSC)c1ccccc1 a48674919fb6cc7cd733bdccc88e1f8e [0,0,1,0,0,0|3,0,0]=4 9 B18R1.11533 CCN(CC)C(=O)[C@@H](OCC=O)c1ccccc1 b26e2323fe4fe812c21fcbe630a90110 [0,0,1,0,0,0|2,0,1]=4 10 B18R1.11533 CCN(CC)C(=O)[C@@H](OCCF)c1ccccc1 142b1709109b845168965a1f7477366e [0,0,1,0,0,0|2,0,0]=3 11 B18R1.11533 CCN(CC)C(=O)[C@@H](OCCS)c1ccccc1 0612e7b50c874cc682d3659dfc969ce6 [0,0,1,0,0,0|2,0,0]=3 12 B18R1.11533 CCN(CC)C(=O)[C@@H](OCOC)c1ccccc1 aeb51b9894ffca852d4017520a617090 [0,0,1,0,0,0|3,0,0]=4 13 B18R1.11533 CCN(CC)C(=O)[C@@H](OCSC)c1ccccc1 edb53291a7ce8785eea4d6415091b473 [0,0,1,0,0,0|3,0,0]=4 14 B18R1.11533 CCN(CC)C(=O)[C@H](OCC=O)c1ccccc1 c6245c4843ae63dd753a2dc253becc95 [0,0,1,0,0,0|2,0,1]=4 15 B18R1.11533 CCN(CC)C(=O)[C@H](OCCF)c1ccccc1 3ae126578c55f15380f84f87049dbd96 [0,0,1,0,0,0|2,0,0]=3 16 B18R1.11533 CCN(CC)C(=O)[C@H](OCCS)c1ccccc1 94351e92f94a08b0772f26cc566363bb [0,0,1,0,0,0|2,0,0]=3 17 B18R1.11533 CCN(CC)C(=O)[C@H](OCOC)c1ccccc1 7933e1dad250dfab10cf30df0cfd2842 [0,0,1,0,0,0|3,0,0]=4 18 B18R1.11533 CCN(CC)C(=O)[C@H](OCSC)c1ccccc1 8a9fdacbf13463f852e6cbb0b4d06664 [0,0,1,0,0,0|3,0,0]=4 19 B17R1.19257 CCN(CC)C(=O)C(OCF)c1ccccc1 125726426de5cd95dd1fe8ffc860a2af [1,0,1,0,0,0|2,0,0]=4 20 B17R1.19257 CCN(CC)C(=O)[C@@H](OCF)c1ccccc1 5a8e19ae9b0bd799cf931de8f9b59495 [1,0,1,0,0,0|2,0,0]=4 21 B17R1.19257 CCN(CC)C(=O)[C@H](OCF)c1ccccc1 c58d6a502873bba50ce2009a4e4ec087 [1,0,1,0,0,0|2,0,0]=4 22 B17R1.19257 CCOC(C(=O)N(CC)CC)c1ccccc1 eb88e365831ca9bcec8b05720e7b95d6 [1,0,1,0,0,0|1,0,0]=3 23 B17R1.19257 CCO[C@@H](C(=O)N(CC)CC)c1ccccc1 0b1eec9908dc307a6d2c2e485d0418fa [1,0,1,0,0,0|1,0,0]=3 24 B17R1.19257 CCO[C@H](C(=O)N(CC)CC)c1ccccc1 c0f1c7f4d98311d6de1a77358383f9bb [1,0,1,0,0,0|1,0,0]=3 25 B17R1.2399 CCC(C)C(C(=O)N(C)CC)c1ccccc1 b2aebc9019ccd5d3dce085976e2ef726 [1,0,1,0,0,0|1,0,0]=3 26 B19R1.25613 CCN(CC)C(=O)C(NCC(=O)N)c1ccccc1 924c5e5297372520d64a7656beb3a2c3 [0,1,1,0,0,0|1,0,1]=4 27 B19R1.25613 CCN(CC)C(=O)C(NCC(C)C)c1ccccc1 2773f0be5c181ec163656d73bf07c095 [0,1,1,0,0,0|2,0,0]=4 28 B19R1.25613 CCN(CC)C(=O)C(OCC(=O)N)c1ccccc1 13189ba2f94417fdba602aa2dfb343f2 [0,1,1,0,0,0|1,0,1]=4 29 B19R1.25613 CCN(CC)C(=O)C(OCC(C)C)c1ccccc1 50a19b76cd6f98e63d5e87c596a3f4c0 [0,1,1,0,0,0|2,0,0]=4 30 B19R1.25613 CCN(CC)C(=O)C(OCC(F)F)c1ccccc1 57bdc3d3aff59f42bd3593565740008a [0,1,1,0,0,0|2,0,0]=4 31 B19R1.25613 CCN(CC)C(=O)[C@@H](OCC(=O)N)c1ccccc1 91252d1444ee3711b26a4af80fcf043b [0,1,1,0,0,0|1,0,1]=4 32 B19R1.25613 CCN(CC)C(=O)[C@@H](OCC(C)C)c1ccccc1 271c5c7957bc6167f475ca775d994d54 [0,1,1,0,0,0|2,0,0]=4 33 B19R1.25613 CCN(CC)C(=O)[C@@H](OCC(F)F)c1ccccc1 cf5a78ce9ecc8e1e730d7de9f927974c [0,1,1,0,0,0|2,0,0]=4 34 B19R1.25613 CCN(CC)C(=O)[C@H](OCC(=O)N)c1ccccc1 a4ceb67e2a2b7398c257f88db503ebe6 [0,1,1,0,0,0|1,0,1]=4 35 B19R1.25613 CCN(CC)C(=O)[C@H](OCC(C)C)c1ccccc1 d23b1ff6886f73a8e2b8532c42abe2c3 [0,1,1,0,0,0|2,0,0]=4 36 B19R1.25613 CCN(CC)C(=O)[C@H](OCC(F)F)c1ccccc1 863b3b3e4e21be04a4e21d4616c10779 [0,1,1,0,0,0|2,0,0]=4 37 B19R1.66457 C=CCCNC(C(=O)N(CC)CC)c1ccccc1 cdf49e1956abac606236678f55001c90 [0,1,1,0,0,0|1,0,1]=4 38 B19R1.66457 C=CCCOC(C(=O)N(CC)CC)c1ccccc1 1f5413aeded53e2345da054dd599410b [0,1,1,0,0,0|1,0,1]=4 39 B19R1.66457 C=CCCO[C@@H](C(=O)N(CC)CC)c1ccccc1 7be1a9cfe234615c495aa4f9cbbf29a0 [0,1,1,0,0,0|1,0,1]=4 40 B19R1.66457 C=CCCO[C@H](C(=O)N(CC)CC)c1ccccc1 1e203f675a2509e61e4d19e752c0d48c [0,1,1,0,0,0|1,0,1]=4 41 B19R1.66457 CCN(CC)C(=O)C(NCCCCl)c1ccccc1 ae235d8999f59bdd56b0e750ca26a112 [0,1,1,0,0,0|1,0,0]=3 42 B19R1.66457 CCN(CC)C(=O)C(NCCON)c1ccccc1 9041c81a6aefeefe7c4981a11d517441 [0,1,1,0,0,0|1,0,0]=3 43 B19R1.66457 CCN(CC)C(=O)C(OCCC=O)c1ccccc1 8f2ae6d0994fe2275e87c426677807f8 [0,1,1,0,0,0|1,0,1]=4 44 B19R1.66457 CCN(CC)C(=O)C(OCCCF)c1ccccc1 eb87b0da98793518722c64ad96a95e17 [0,1,1,0,0,0|1,0,0]=3 45 B19R1.66457 CCN(CC)C(=O)C(OCCOC)c1ccccc1 3146d5c7bff8d7ae2904ecb0ca0a1089 [0,1,1,0,0,0|2,0,0]=4 46 B19R1.66457 CCN(CC)C(=O)C(OCCSC)c1ccccc1 bcb72163b09d8296d7a135d243e1d91e [0,1,1,0,0,0|2,0,0]=4 47 B19R1.66457 CCN(CC)C(=O)[C@@H](OCCC=O)c1ccccc1 5c369b720ce8482b4364b1c9e03e7050 [0,1,1,0,0,0|1,0,1]=4 48 B19R1.66457 CCN(CC)C(=O)[C@@H](OCCCF)c1ccccc1 f995997d50c77baa25488e9dba1673a7 [0,1,1,0,0,0|1,0,0]=3 49 B19R1.66457 CCN(CC)C(=O)[C@@H](OCCOC)c1ccccc1 44d756ac216215251fdd8dd0e4bca03b [0,1,1,0,0,0|2,0,0]=4 50 B19R1.66457 CCN(CC)C(=O)[C@@H](OCCSC)c1ccccc1 b93cfb27744d3c90557fd796411eb38b [0,1,1,0,0,0|2,0,0]=4 51 B19R1.66457 CCN(CC)C(=O)[C@H](OCCC=O)c1ccccc1 351ddcd9795bff6524da4eb32a912157 [0,1,1,0,0,0|1,0,1]=4 52 B19R1.66457 CCN(CC)C(=O)[C@H](OCCCF)c1ccccc1 2c1d5e90f2b03f88f84f93eb549789d0 [0,1,1,0,0,0|1,0,0]=3 53 B19R1.66457 CCN(CC)C(=O)[C@H](OCCOC)c1ccccc1 cb1a5723904161b8bfb7b513fe833fa6 [0,1,1,0,0,0|2,0,0]=4 54 B19R1.66457 CCN(CC)C(=O)[C@H](OCCSC)c1ccccc1 237e1c63ded2c8da9515d9b009ddaa8b [0,1,1,0,0,0|2,0,0]=4 55 B19R1.66457 CCOCOC(C(=O)N(CC)CC)c1ccccc1 6e3a8f2139dda249e04c0926cd559823 [0,1,1,0,0,0|2,0,0]=4 56 B19R1.66457 CCOCO[C@@H](C(=O)N(CC)CC)c1ccccc1 84370ae1740e4055e423b692c8063c0a [0,1,1,0,0,0|2,0,0]=4 57 B19R1.66457 CCOCO[C@H](C(=O)N(CC)CC)c1ccccc1 4b8d802f73b01762b1ac610b5d80b1e1 [0,1,1,0,0,0|2,0,0]=4 58 B19R1.532090 CCC(C)C(C(=O)N(CC)CCCl)c1ccccc1 1d5a02840b35987598106c293121582d [0,1,1,0,0,0|1,0,0]=3 59 B19R1.532090 CCC(C)C(C(=O)N(CC)CCO)c1ccccc1 89cfa6ae5eeda37f8a1aac882cdf0c26 [0,1,1,0,0,0|1,0,0]=3 60 B19R1.532090 CCC(C)C(C(=O)N(CO)CCO)c1ccccc1 5668c5e95510fa4b9b1c6ab77e0ad328 [0,1,1,0,0,0|2,0,0]=4 61 B19R1.532090 CCCN(CC)C(=O)C(c1ccccc1)C(C)CC 29794640412b7613ddc597bbb48253f9 [0,1,1,0,0,0|1,0,0]=3 62 B19R1.554291 CCC(C)C(C(=O)N(CC)C(C)C)c1ccccc1 dfd9e1705bb4b8b43d5d9d901f3d9a65 [0,1,1,0,0,0|1,0,0]=3 63 B21R2.682002 CCN(CC)C(=O)[C@@]1(C[C@@H]1CNC=O)c2ccccc2 5309085d1565ae9c6e05f73a32197da5 [0,2,0,0,0,0|0,0,0]=2 64 B21R2.682002 CCN(CC)C(=O)[C@@]1(C[C@@H]1CNCF)c2ccccc2 652193686cf17d0cae809e1dca890708 [0,2,0,0,0,0|0,0,0]=2 65 B21R2.682002 CCN(CC)C(=O)[C@@]1(C[C@@H]1CNCO)c2ccccc2 0ae0ca4a336b55a096f376bb1a3162e9 [0,2,0,0,0,0|0,0,0]=2 66 B21R2.682002 CCNC[C@H]1C[C@]1(C(=O)N(CC)CC)c2ccccc2 cb24c818f9fd0d832a61a656f496bb47 [0,2,0,0,0,0|0,0,0]=2 67 B19R2.4650 CCCNC(C(=O)N1CCCC1)c2ccccc2 e47537a56aab54a558d9ffdd1304a3c8 [0,0,1,1,0,0|2,0,0]=4 68 B19R2.4650 O=C(C(NCCF)c1ccccc1)N2CCCC2 1f8b5f818f340a3561666f88644bbfc8 [0,0,1,1,0,0|2,0,0]=4 69 B19R2.4650 O=C(C(NCCO)c1ccccc1)N2CCCC2 84a2117814038d758c33d3ad12479cab [0,0,1,1,0,0|2,0,0]=4 70 B19R2.4650 O=C(C(NCCS)c1ccccc1)N2CCCC2 a4ff772d69ffb0f7eb31d0d498c4cdee [0,0,1,1,0,0|2,0,0]=4 71 B19R2.1012818 CCN(CC)C(=O)C(NC1CC1)c2ccccc2 1d2d50d4aaa6a81336a2653d509acffb [0,0,1,1,0,0|2,0,0]=4 72 B19R2.209017 CCC(C)C(C(=O)N1CCSC1)c2ccccc2 5b5ea65261522f2c594534ff9b0e3328 [0,0,1,1,0,0|2,0,0]=4 73 B19R1.12545 CCN(CC)CC(=O)N(CCCO)c1ccccc1 42d4e3954c4c771d5da7ebd889c75d07 [0,0,1,0,0,1|2,0,0]=4 74 B19R1.554290 CCC(CC)NC(=O)C(c1ccccc1)C(C)CC 81a49487cdaef917c0dc3777e4d49aa5 [0,0,1,0,0,1|2,0,0]=4