smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[C@@H](O)C[N@H+]1CCCC[C@H]1C 252439041 535812687 /nfs/dbraw/zinc/81/26/87/535812687.db2.gz KAGVPTGPSKPUIM-NXEZZACHSA-N 1 1 171.284 1.632 20 0 ADADMO CC[C@@H](O)C[N@H+]1CCC[C@H]1C 252415944 535812826 /nfs/dbraw/zinc/81/28/26/535812826.db2.gz MPUNWVMBFIYDFT-RKDXNWHRSA-N 1 1 157.257 1.242 20 0 ADADMO CC[C@](C)(O)C[N@H+]1CCC[C@@H](C)C1 229381884 535844828 /nfs/dbraw/zinc/84/48/28/535844828.db2.gz ODDXSAFAMRUMAA-MNOVXSKESA-N 1 1 185.311 1.879 20 0 ADADMO Cc1cn(Cc2ccccn2)c(C)[nH+]1 8506 537775663 /nfs/dbraw/zinc/77/56/63/537775663.db2.gz CNRJCXCLPCOPPE-UHFFFAOYSA-N 1 1 187.246 1.943 20 0 ADADMO C[C@H](NCC[NH+](C)C)c1ccco1 19255218 537778175 /nfs/dbraw/zinc/77/81/75/537778175.db2.gz WDKDDAOTEYPZKS-VIFPVBQESA-N 1 1 182.267 1.492 20 0 ADADMO CCC[N@@H+](C)CC(C)(C)OC 17666322 537779306 /nfs/dbraw/zinc/77/93/06/537779306.db2.gz GJPZHOSWAMLHNL-UHFFFAOYSA-N 1 1 159.273 1.753 20 0 ADADMO CC[C@H](C)[C@@H](C)[NH2+]CCCN(C)C 20091863 537780632 /nfs/dbraw/zinc/78/06/32/537780632.db2.gz FLKNZKLMEKWCAK-WDEREUQCSA-N 1 1 186.343 1.962 20 0 ADADMO CC(C)[NH2+]CCCN1CCCC1 20129056 537781261 /nfs/dbraw/zinc/78/12/61/537781261.db2.gz MPTYAQGMOILBCX-UHFFFAOYSA-N 1 1 170.300 1.470 20 0 ADADMO CC[C@@H](C)[C@@H](C)[NH2+]CCCN(C)C 20091861 537781534 /nfs/dbraw/zinc/78/15/34/537781534.db2.gz FLKNZKLMEKWCAK-GHMZBOCLSA-N 1 1 186.343 1.962 20 0 ADADMO CC[C@H](C)[C@H](C)[NH2+]CCCN(C)C 20091867 537781786 /nfs/dbraw/zinc/78/17/86/537781786.db2.gz FLKNZKLMEKWCAK-QWRGUYRKSA-N 1 1 186.343 1.962 20 0 ADADMO C[C@H]([NH2+]CCCN1CCCC1)C1CC1 20129029 537781889 /nfs/dbraw/zinc/78/18/89/537781889.db2.gz MZWHJEMASQINFV-NSHDSACASA-N 1 1 196.338 1.860 20 0 ADADMO CC[C@@H](C)[NH2+]CCCN1CCCC1 20129135 537782367 /nfs/dbraw/zinc/78/23/67/537782367.db2.gz RDGRGPRMCGEQCO-LLVKDONJSA-N 1 1 184.327 1.860 20 0 ADADMO C[C@@H]([NH2+]CCCN1CCCC1)C1CC1 20129028 537782488 /nfs/dbraw/zinc/78/24/88/537782488.db2.gz MZWHJEMASQINFV-LLVKDONJSA-N 1 1 196.338 1.860 20 0 ADADMO CC[C@@H](C)[C@H](C)[NH2+]CCCN(C)C 20091865 537782995 /nfs/dbraw/zinc/78/29/95/537782995.db2.gz FLKNZKLMEKWCAK-MNOVXSKESA-N 1 1 186.343 1.962 20 0 ADADMO CC[C@H](C)[NH2+]CCCN1CCCC1 20129136 537783165 /nfs/dbraw/zinc/78/31/65/537783165.db2.gz RDGRGPRMCGEQCO-NSHDSACASA-N 1 1 184.327 1.860 20 0 ADADMO CCC[N@H+](CCN)Cc1ccccc1 32008610 537787929 /nfs/dbraw/zinc/78/79/29/537787929.db2.gz FKQJZXRVGQWYQG-UHFFFAOYSA-N 1 1 192.306 1.857 20 0 ADADMO CCC[N@@H+](CCN)Cc1ccccc1 32008610 537787938 /nfs/dbraw/zinc/78/79/38/537787938.db2.gz FKQJZXRVGQWYQG-UHFFFAOYSA-N 1 1 192.306 1.857 20 0 ADADMO OCc1csc(C[NH+]2CCCC2)n1 34447443 537790698 /nfs/dbraw/zinc/79/06/98/537790698.db2.gz VBQNHSSRMMQQFO-UHFFFAOYSA-N 1 1 198.291 1.231 20 0 ADADMO OCC[C@H]1CCC[N@H+]1CC1CC1 34113209 537790863 /nfs/dbraw/zinc/79/08/63/537790863.db2.gz MZVIBFVRXORUIA-SNVBAGLBSA-N 1 1 169.268 1.243 20 0 ADADMO CCCC[N@@H+](CC)CCCO 35116735 537798129 /nfs/dbraw/zinc/79/81/29/537798129.db2.gz WVZTVLGQMVYJKA-UHFFFAOYSA-N 1 1 159.273 1.491 20 0 ADADMO OCC[C@@H]1CCC[N@H+]1CC1CC1 34113210 537791873 /nfs/dbraw/zinc/79/18/73/537791873.db2.gz MZVIBFVRXORUIA-JTQLQIEISA-N 1 1 169.268 1.243 20 0 ADADMO CC[C@H]1CCCC[N@H+]1CCNC(C)=O 33945857 537793538 /nfs/dbraw/zinc/79/35/38/537793538.db2.gz ZBMVPEFZGXIYTK-NSHDSACASA-N 1 1 198.310 1.387 20 0 ADADMO CC[C@@H]1CCCC[N@H+]1CCNC(C)=O 33945856 537792843 /nfs/dbraw/zinc/79/28/43/537792843.db2.gz ZBMVPEFZGXIYTK-LLVKDONJSA-N 1 1 198.310 1.387 20 0 ADADMO C[C@H](c1ccccc1)[N@@H+](C)CCO 34412893 537793125 /nfs/dbraw/zinc/79/31/25/537793125.db2.gz SSIFUVGVZPYBFP-SNVBAGLBSA-N 1 1 179.263 1.672 20 0 ADADMO CC(C)=CCC[N@@H+](C)CCO 34596396 537793724 /nfs/dbraw/zinc/79/37/24/537793724.db2.gz WYBPDQIYXGWWJT-UHFFFAOYSA-N 1 1 157.257 1.267 20 0 ADADMO C[C@@H](c1ccccc1)[N@@H+](C)CCO 34412892 537794116 /nfs/dbraw/zinc/79/41/16/537794116.db2.gz SSIFUVGVZPYBFP-JTQLQIEISA-N 1 1 179.263 1.672 20 0 ADADMO C[N@@H+](CCCO)Cc1cccc(F)c1 35114608 537794799 /nfs/dbraw/zinc/79/47/99/537794799.db2.gz ZJQGDGUEMROVSZ-UHFFFAOYSA-N 1 1 197.253 1.640 20 0 ADADMO CC[C@@H](C)[N@@H+](CC)CCO 35649831 537794892 /nfs/dbraw/zinc/79/48/92/537794892.db2.gz DAEXQSIVHZXPOU-MRVPVSSYSA-N 1 1 145.246 1.099 20 0 ADADMO Cc1ccc(C[N@@H+](C)CCCO)cc1 35114603 537795533 /nfs/dbraw/zinc/79/55/33/537795533.db2.gz LZMPLBPJBQPFLJ-UHFFFAOYSA-N 1 1 193.290 1.809 20 0 ADADMO C[N@@H+](CCCO)Cc1ccco1 35123860 537796278 /nfs/dbraw/zinc/79/62/78/537796278.db2.gz ZSNHPXTXMQENSK-UHFFFAOYSA-N 1 1 169.224 1.094 20 0 ADADMO CC[C@H](C)[N@@H+](CC)CCO 35649832 537796352 /nfs/dbraw/zinc/79/63/52/537796352.db2.gz DAEXQSIVHZXPOU-QMMMGPOBSA-N 1 1 145.246 1.099 20 0 ADADMO CCCC[N@@H+](C)CCCO 35114141 537796795 /nfs/dbraw/zinc/79/67/95/537796795.db2.gz HRDIGEBCGNMFGG-UHFFFAOYSA-N 1 1 145.246 1.101 20 0 ADADMO C[N@@H+](CCCO)C1CCCC1 35118059 537796925 /nfs/dbraw/zinc/79/69/25/537796925.db2.gz HIZJZIGSXILFHA-UHFFFAOYSA-N 1 1 157.257 1.243 20 0 ADADMO C[N@@H+](CCCO)Cc1cccs1 35123857 537796954 /nfs/dbraw/zinc/79/69/54/537796954.db2.gz DKRDGRVWGOKXFR-UHFFFAOYSA-N 1 1 185.292 1.562 20 0 ADADMO CCC[N@@H+](CCO)C(C)C 35116821 537797015 /nfs/dbraw/zinc/79/70/15/537797015.db2.gz GYWWIDNDJPVOSH-UHFFFAOYSA-N 1 1 145.246 1.099 20 0 ADADMO C[N@@H+](CCCO)C1CCCCC1 35114093 537797522 /nfs/dbraw/zinc/79/75/22/537797522.db2.gz WGZFVNKJLAEBKT-UHFFFAOYSA-N 1 1 171.284 1.633 20 0 ADADMO C[N@@H+](CCCCO)[C@H]1CCSC1 35649637 537798292 /nfs/dbraw/zinc/79/82/92/537798292.db2.gz KNHAGIDXOCGOHH-VIFPVBQESA-N 1 1 189.324 1.196 20 0 ADADMO C[N@@H+](CCCCO)[C@@H]1CCSC1 35649636 537798587 /nfs/dbraw/zinc/79/85/87/537798587.db2.gz KNHAGIDXOCGOHH-SECBINFHSA-N 1 1 189.324 1.196 20 0 ADADMO CC(C)C[NH2+]Cc1ccn[nH]1 36899949 537805450 /nfs/dbraw/zinc/80/54/50/537805450.db2.gz JFNBMWUDMUZZDN-UHFFFAOYSA-N 1 1 153.229 1.155 20 0 ADADMO CCC[C@H](C)[NH2+]Cc1ccn[nH]1 36899973 537806502 /nfs/dbraw/zinc/80/65/02/537806502.db2.gz OGLZSJQGVLXCJN-QMMMGPOBSA-N 1 1 167.256 1.688 20 0 ADADMO CCC[C@@H](C)[NH2+]Cc1ccn[nH]1 36899972 537807868 /nfs/dbraw/zinc/80/78/68/537807868.db2.gz OGLZSJQGVLXCJN-MRVPVSSYSA-N 1 1 167.256 1.688 20 0 ADADMO CCC[NH2+]C1CCN(CC2CC2)CC1 37240220 537809997 /nfs/dbraw/zinc/80/99/97/537809997.db2.gz CYSYBEQNFSUVEJ-UHFFFAOYSA-N 1 1 196.338 1.860 20 0 ADADMO CC(=O)CCCn1cc[nH+]c1C 37329190 537815007 /nfs/dbraw/zinc/81/50/07/537815007.db2.gz MZXNNUMAGZRBIV-UHFFFAOYSA-N 1 1 166.224 1.561 20 0 ADADMO C1CC1C[NH2+]C[C@@H]1CCN(C2CC2)C1 37485287 537815216 /nfs/dbraw/zinc/81/52/16/537815216.db2.gz YGFBSVPIGDDRDO-NSHDSACASA-N 1 1 194.322 1.470 20 0 ADADMO C1CC1C[NH2+]C[C@H]1CCN(C2CC2)C1 37485288 537816215 /nfs/dbraw/zinc/81/62/15/537816215.db2.gz YGFBSVPIGDDRDO-LLVKDONJSA-N 1 1 194.322 1.470 20 0 ADADMO CC(=O)CCCCn1cc[nH+]c1C 37329188 537816581 /nfs/dbraw/zinc/81/65/81/537816581.db2.gz XSRFDLUPVNSAFS-UHFFFAOYSA-N 1 1 180.251 1.951 20 0 ADADMO CN(C)CCC[NH2+]C(C1CC1)C1CC1 37466621 537816735 /nfs/dbraw/zinc/81/67/35/537816735.db2.gz NDGQQLZJDFNCFT-UHFFFAOYSA-N 1 1 196.338 1.716 20 0 ADADMO C[N@H+](CCN)CCCc1ccccc1 37267962 537817247 /nfs/dbraw/zinc/81/72/47/537817247.db2.gz MVJJQXOQJKAJDN-UHFFFAOYSA-N 1 1 192.306 1.510 20 0 ADADMO C[N@@H+](CCN)CCCc1ccccc1 37267962 537817248 /nfs/dbraw/zinc/81/72/48/537817248.db2.gz MVJJQXOQJKAJDN-UHFFFAOYSA-N 1 1 192.306 1.510 20 0 ADADMO CC(C)[NH2+]C[C@@H]1CCN(C2CC2)C1 37485317 537818413 /nfs/dbraw/zinc/81/84/13/537818413.db2.gz YMWLTFQXEVGALF-JTQLQIEISA-N 1 1 182.311 1.469 20 0 ADADMO CN(C)CCC[NH2+]CCC(C)(C)C 37488719 537819084 /nfs/dbraw/zinc/81/90/84/537819084.db2.gz NHODFWXZHSCVAE-UHFFFAOYSA-N 1 1 186.343 1.964 20 0 ADADMO CC[C@@H](O)C[N@@H+](C)[C@H](C)CC 37693902 537819324 /nfs/dbraw/zinc/81/93/24/537819324.db2.gz YDFKPXVDHYNRGT-RKDXNWHRSA-N 1 1 159.273 1.488 20 0 ADADMO CC[C@H](C)[N@@H+](CC)CC(C)(C)O 37693822 537819370 /nfs/dbraw/zinc/81/93/70/537819370.db2.gz XFFFQNSYJASCLQ-VIFPVBQESA-N 1 1 173.300 1.878 20 0 ADADMO CC[C@H](O)C[N@@H+](C)Cc1cccnc1 37694026 537819580 /nfs/dbraw/zinc/81/95/80/537819580.db2.gz YRPIJUZNUJUMGJ-NSHDSACASA-N 1 1 194.278 1.284 20 0 ADADMO CC[C@H](C)[NH2+]C[C@H]1CCN(C2CC2)C1 37485342 537819700 /nfs/dbraw/zinc/81/97/00/537819700.db2.gz JQLKWBNLJXTQKL-WDEREUQCSA-N 1 1 196.338 1.859 20 0 ADADMO CC(C)[NH2+]C[C@H]1CCN(C2CC2)C1 37485318 537819724 /nfs/dbraw/zinc/81/97/24/537819724.db2.gz YMWLTFQXEVGALF-SNVBAGLBSA-N 1 1 182.311 1.469 20 0 ADADMO CCC[N@@H+](CC(C)(C)O)C1CC1 37693937 537819751 /nfs/dbraw/zinc/81/97/51/537819751.db2.gz ZHHGKKFUSSGIRW-UHFFFAOYSA-N 1 1 171.284 1.632 20 0 ADADMO CC[C@@H](C)[N@@H+](C)CC(C)(C)O 37693910 537819824 /nfs/dbraw/zinc/81/98/24/537819824.db2.gz QUWRAHFYSNZYJY-MRVPVSSYSA-N 1 1 159.273 1.488 20 0 ADADMO CC[C@@H](CO)Nc1cccc(C)[nH+]1 37670660 537820037 /nfs/dbraw/zinc/82/00/37/537820037.db2.gz FAVKYEWPWWAROM-VIFPVBQESA-N 1 1 180.251 1.573 20 0 ADADMO CC[C@H](O)C[N@@H+](C)[C@@H]1CCSC1 37693488 537820363 /nfs/dbraw/zinc/82/03/63/537820363.db2.gz SIKGXHHUHDBTNJ-BDAKNGLRSA-N 1 1 189.324 1.195 20 0 ADADMO CC[C@H](C)[N@H+](C)C[C@H](O)CC 37693903 537820639 /nfs/dbraw/zinc/82/06/39/537820639.db2.gz YDFKPXVDHYNRGT-DTWKUNHWSA-N 1 1 159.273 1.488 20 0 ADADMO CC[C@@H](C)[NH2+]C[C@H]1CCN(C2CC2)C1 37485341 537820661 /nfs/dbraw/zinc/82/06/61/537820661.db2.gz JQLKWBNLJXTQKL-GHMZBOCLSA-N 1 1 196.338 1.859 20 0 ADADMO CC(C)[N@@H+](C)CC(C)(C)O 37693735 537820701 /nfs/dbraw/zinc/82/07/01/537820701.db2.gz ORAQOCXUHLAGMA-UHFFFAOYSA-N 1 1 145.246 1.098 20 0 ADADMO CC[C@H](CO)Nc1cccc(C)[nH+]1 37670662 537820932 /nfs/dbraw/zinc/82/09/32/537820932.db2.gz FAVKYEWPWWAROM-SECBINFHSA-N 1 1 180.251 1.573 20 0 ADADMO CC[C@H](C)[N@@H+](C)CC(C)(C)O 37693911 537821068 /nfs/dbraw/zinc/82/10/68/537821068.db2.gz QUWRAHFYSNZYJY-QMMMGPOBSA-N 1 1 159.273 1.488 20 0 ADADMO CC[C@@H](C)[NH2+]C[C@@H]1CCN(C2CC2)C1 37485339 537821196 /nfs/dbraw/zinc/82/11/96/537821196.db2.gz JQLKWBNLJXTQKL-MNOVXSKESA-N 1 1 196.338 1.859 20 0 ADADMO CC[C@@H](C)[N@@H+](CC)CC(C)(C)O 37693821 537821219 /nfs/dbraw/zinc/82/12/19/537821219.db2.gz XFFFQNSYJASCLQ-SECBINFHSA-N 1 1 173.300 1.878 20 0 ADADMO CC[C@@H](O)C[N@@H+](C)Cc1cccnc1 37694027 537821249 /nfs/dbraw/zinc/82/12/49/537821249.db2.gz YRPIJUZNUJUMGJ-LLVKDONJSA-N 1 1 194.278 1.284 20 0 ADADMO CC[C@H](C)C[NH2+]Cc1cn[nH]c1C 38011274 537825083 /nfs/dbraw/zinc/82/50/83/537825083.db2.gz AIOWXPISYSZJQR-QMMMGPOBSA-N 1 1 181.283 1.854 20 0 ADADMO CC[C@@H](O)C[N@@H+](C)[C@@H]1CCSC1 37693489 537821312 /nfs/dbraw/zinc/82/13/12/537821312.db2.gz SIKGXHHUHDBTNJ-RKDXNWHRSA-N 1 1 189.324 1.195 20 0 ADADMO CCOCCNc1cccc(C)[nH+]1 37670738 537821443 /nfs/dbraw/zinc/82/14/43/537821443.db2.gz RKLJOTFJCRADKB-UHFFFAOYSA-N 1 1 180.251 1.838 20 0 ADADMO CC[C@H](C)[NH2+]C[C@@H]1CCN(C2CC2)C1 37485340 537821523 /nfs/dbraw/zinc/82/15/23/537821523.db2.gz JQLKWBNLJXTQKL-QWRGUYRKSA-N 1 1 196.338 1.859 20 0 ADADMO C[C@H]([NH2+]C[C@@H](C)N(C)C)c1ccco1 38088492 537822383 /nfs/dbraw/zinc/82/23/83/537822383.db2.gz WJBBPLWMXFMRSD-ZJUUUORDSA-N 1 1 196.294 1.880 20 0 ADADMO C[C@H]1CCC[N@H+]1CCCCO 37911905 537822898 /nfs/dbraw/zinc/82/28/98/537822898.db2.gz IZPDOHZQSXYWMZ-VIFPVBQESA-N 1 1 157.257 1.243 20 0 ADADMO CC[C@@H](C)C[NH2+]Cc1cn[nH]c1C 38011273 537823350 /nfs/dbraw/zinc/82/33/50/537823350.db2.gz AIOWXPISYSZJQR-MRVPVSSYSA-N 1 1 181.283 1.854 20 0 ADADMO C[C@H]([NH2+]C[C@H](C)N(C)C)c1ccco1 38088491 537824702 /nfs/dbraw/zinc/82/47/02/537824702.db2.gz WJBBPLWMXFMRSD-UWVGGRQHSA-N 1 1 196.294 1.880 20 0 ADADMO C[C@H](CNCc1ccsc1)[NH+](C)C 38088719 537825200 /nfs/dbraw/zinc/82/52/00/537825200.db2.gz RELCBLPQHKFMQE-SECBINFHSA-N 1 1 198.335 1.788 20 0 ADADMO C[C@@H]1CCC[N@H+]1CCCCO 37911904 537825516 /nfs/dbraw/zinc/82/55/16/537825516.db2.gz IZPDOHZQSXYWMZ-SECBINFHSA-N 1 1 157.257 1.243 20 0 ADADMO C[C@H](C[NH2+]Cc1ccccn1)N(C)C 38088442 537826609 /nfs/dbraw/zinc/82/66/09/537826609.db2.gz XATJULSUCYSNTL-SNVBAGLBSA-N 1 1 193.294 1.121 20 0 ADADMO C[C@@H]([NH2+]C[C@@H](C)N(C)C)c1ccco1 38088494 537826708 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1 183.295 1.489 20 0 ADADMO CC1CC(C[N@H+]2CC[C@@](C)(O)C2)C1 885442161 757536832 /nfs/dbraw/zinc/53/68/32/757536832.db2.gz REYSNFYPEHYUII-VQXHTEKXSA-N 1 1 183.295 1.489 20 0 ADADMO CC1CC(C[N@H+]2C[C@@H](O)C[C@@H]2C)C1 885442350 757538020 /nfs/dbraw/zinc/53/80/20/757538020.db2.gz ZCVMWKKLUXWSQE-YIYTYNFBSA-N 1 1 183.295 1.488 20 0 ADADMO CC1CC(C[N@H+]2C[C@H](O)C[C@@H]2C)C1 885442346 757542221 /nfs/dbraw/zinc/54/22/21/757542221.db2.gz ZCVMWKKLUXWSQE-QONHTCSSSA-N 1 1 183.295 1.488 20 0 ADADMO CC1CC(C[N@H+]2CCC[C@H](O)C2)C1 885441831 757542516 /nfs/dbraw/zinc/54/25/16/757542516.db2.gz CQOOZZSGSYZVNL-ILDUYXDCSA-N 1 1 183.295 1.489 20 0 ADADMO CC1CC(C[N@H+]2C[C@H](O)C[C@H]2C)C1 885442348 757543458 /nfs/dbraw/zinc/54/34/58/757543458.db2.gz ZCVMWKKLUXWSQE-VGRIYTJTSA-N 1 1 183.295 1.488 20 0 ADADMO CC1CC(C[N@H+]2C[C@H](C)[C@@H](O)C2)C1 885442326 757544324 /nfs/dbraw/zinc/54/43/24/757544324.db2.gz YMRFPVNBXCERRC-YIYTYNFBSA-N 1 1 183.295 1.345 20 0 ADADMO CC1CC(C[N@H+]2C[C@@H](C)[C@@H](O)C2)C1 885442321 757544439 /nfs/dbraw/zinc/54/44/39/757544439.db2.gz YMRFPVNBXCERRC-DJRKXVOMSA-N 1 1 183.295 1.345 20 0 ADADMO CC1CC(C[N@H+]2CCC[C@H]2CO)C1 885442214 757545426 /nfs/dbraw/zinc/54/54/26/757545426.db2.gz UTCZZWQTYPBSED-ILDUYXDCSA-N 1 1 183.295 1.489 20 0 ADADMO CC1CC(C[N@H+]2CC[C@](C)(O)C2)C1 885442160 757545643 /nfs/dbraw/zinc/54/56/43/757545643.db2.gz REYSNFYPEHYUII-ILDUYXDCSA-N 1 1 183.295 1.489 20 0 ADADMO CC1CC(C[N@H+]2C[C@@H](O)C[C@H]2C)C1 885442345 757546162 /nfs/dbraw/zinc/54/61/62/757546162.db2.gz ZCVMWKKLUXWSQE-DJRKXVOMSA-N 1 1 183.295 1.488 20 0 ADADMO CC[C@H](C)[N@@H+](CC)CC(OC)OC 85351023 572730051 /nfs/dbraw/zinc/73/00/51/572730051.db2.gz ZWTHSZVAVQDFIO-VIFPVBQESA-N 1 1 189.299 1.726 20 0 ADADMO CC1CC(C[N@H+]2CCC[C@@H](O)C2)C1 885441832 757546720 /nfs/dbraw/zinc/54/67/20/757546720.db2.gz CQOOZZSGSYZVNL-VQXHTEKXSA-N 1 1 183.295 1.489 20 0 ADADMO CC1CC(C[N@H+]2CCCC[C@H]2CN)C1 885835927 757547508 /nfs/dbraw/zinc/54/75/08/757547508.db2.gz YQTOPBYLLGYGKN-MCIGGMRASA-N 1 1 196.338 1.846 20 0 ADADMO CC1CC(CN2CCCC[C@H]2C[NH3+])C1 885835927 757547528 /nfs/dbraw/zinc/54/75/28/757547528.db2.gz YQTOPBYLLGYGKN-MCIGGMRASA-N 1 1 196.338 1.846 20 0 ADADMO CC1CC(CN2C[C@H](C)[NH2+][C@@H](C)C2)C1 885835812 757548019 /nfs/dbraw/zinc/54/80/19/757548019.db2.gz HCEZMKKYMDWQHM-YECOWLKZSA-N 1 1 196.338 1.715 20 0 ADADMO CC1CC(C[N@H+]2CCC[C@](C)(O)C2)C1 885879847 757549697 /nfs/dbraw/zinc/54/96/97/757549697.db2.gz CUVLZXRZACSWDV-MCIGGMRASA-N 1 1 197.322 1.879 20 0 ADADMO CC[C@H](C)CN1CCC[C@]12CC[NH2+]C2 885834456 757550179 /nfs/dbraw/zinc/55/01/79/757550179.db2.gz FNOYEJWFTYOZLJ-NWDGAFQWSA-N 1 1 196.338 1.860 20 0 ADADMO C[C@H]1CC([NH2+]CC2(N)CC2)C[C@H](C)C1 885835953 757550950 /nfs/dbraw/zinc/55/09/50/757550950.db2.gz CHAYJTHEZNLTLS-NXEZZACHSA-N 1 1 196.338 1.892 20 0 ADADMO CC1CC(C[N@H+]2C[C@H](C)N[C@H](C)C2)C1 885835811 757551599 /nfs/dbraw/zinc/55/15/99/757551599.db2.gz HCEZMKKYMDWQHM-WSVSKBAQSA-N 1 1 196.338 1.715 20 0 ADADMO CC1CC(CN2C[C@H](C)[NH2+][C@H](C)C2)C1 885835811 757551619 /nfs/dbraw/zinc/55/16/19/757551619.db2.gz HCEZMKKYMDWQHM-WSVSKBAQSA-N 1 1 196.338 1.715 20 0 ADADMO CC1CC(C[N@H+]2CCN[C@@H](C)[C@H]2C)C1 885835930 757552551 /nfs/dbraw/zinc/55/25/51/757552551.db2.gz YVGOLAYLLZMVIN-LVFLEHKBSA-N 1 1 196.338 1.715 20 0 ADADMO CC1CC(CN2CC[NH2+][C@@H](C)[C@H]2C)C1 885835930 757552600 /nfs/dbraw/zinc/55/26/00/757552600.db2.gz YVGOLAYLLZMVIN-LVFLEHKBSA-N 1 1 196.338 1.715 20 0 ADADMO CC1CC(C[N@H+]2CCC[C@H](O)CC2)C1 885879818 757552868 /nfs/dbraw/zinc/55/28/68/757552868.db2.gz BPJIOLJNCANLLE-MCIGGMRASA-N 1 1 197.322 1.879 20 0 ADADMO C[C@H]1C[C@@H](C)C[C@H]([NH2+]CC2(N)CC2)C1 885835954 757553503 /nfs/dbraw/zinc/55/35/03/757553503.db2.gz CHAYJTHEZNLTLS-URLYPYJESA-N 1 1 196.338 1.892 20 0 ADADMO CC1CC(C[N@H+]2CCN[C@H](C)[C@H]2C)C1 885835929 757553678 /nfs/dbraw/zinc/55/36/78/757553678.db2.gz YVGOLAYLLZMVIN-BFUDSRACSA-N 1 1 196.338 1.715 20 0 ADADMO CC1CC(CN2CC[NH2+][C@H](C)[C@H]2C)C1 885835929 757553716 /nfs/dbraw/zinc/55/37/16/757553716.db2.gz YVGOLAYLLZMVIN-BFUDSRACSA-N 1 1 196.338 1.715 20 0 ADADMO CC[C@H](C)CN1CCC[C@@]12CC[NH2+]C2 885834457 757554628 /nfs/dbraw/zinc/55/46/28/757554628.db2.gz FNOYEJWFTYOZLJ-RYUDHWBXSA-N 1 1 196.338 1.860 20 0 ADADMO CC1CC(C[N@H+]2CCC[C@@](C)(O)C2)C1 885879846 757555564 /nfs/dbraw/zinc/55/55/64/757555564.db2.gz CUVLZXRZACSWDV-HTAVTVPLSA-N 1 1 197.322 1.879 20 0 ADADMO CC1CC(C[N@H+]2CCN[C@@H](C)[C@@H]2C)C1 885835932 757555860 /nfs/dbraw/zinc/55/58/60/757555860.db2.gz YVGOLAYLLZMVIN-YECOWLKZSA-N 1 1 196.338 1.715 20 0 ADADMO CC1CC(CN2CC[NH2+][C@@H](C)[C@@H]2C)C1 885835932 757555887 /nfs/dbraw/zinc/55/58/87/757555887.db2.gz YVGOLAYLLZMVIN-YECOWLKZSA-N 1 1 196.338 1.715 20 0 ADADMO CC1CC(C[N@H+]2CCCC[C@@H]2CN)C1 885835926 757556690 /nfs/dbraw/zinc/55/66/90/757556690.db2.gz YQTOPBYLLGYGKN-HTAVTVPLSA-N 1 1 196.338 1.846 20 0 ADADMO CC1CC(CN2CCCC[C@@H]2C[NH3+])C1 885835926 757556719 /nfs/dbraw/zinc/55/67/19/757556719.db2.gz YQTOPBYLLGYGKN-HTAVTVPLSA-N 1 1 196.338 1.846 20 0 ADADMO CC1CC(C[N@H+]2[C@@H](C)CNC[C@H]2C)C1 885835864 757557293 /nfs/dbraw/zinc/55/72/93/757557293.db2.gz SDWMLYKXTIZIBR-WSVSKBAQSA-N 1 1 196.338 1.715 20 0 ADADMO CC1CC(CN2[C@@H](C)C[NH2+]C[C@H]2C)C1 885835864 757557316 /nfs/dbraw/zinc/55/73/16/757557316.db2.gz SDWMLYKXTIZIBR-WSVSKBAQSA-N 1 1 196.338 1.715 20 0 ADADMO CC1CC(C[N@@H+]2CC[C@@](C)(CN)C2)C1 885835884 757557994 /nfs/dbraw/zinc/55/79/94/757557994.db2.gz SYLYTIWGEZBSID-MCIGGMRASA-N 1 1 196.338 1.703 20 0 ADADMO CC1CC(C[N@H+]2CC[C@@](C)(CN)C2)C1 885835884 757558019 /nfs/dbraw/zinc/55/80/19/757558019.db2.gz SYLYTIWGEZBSID-MCIGGMRASA-N 1 1 196.338 1.703 20 0 ADADMO C[C@@H]1CC([NH2+]CC2(N)CC2)C[C@@H](C)C1 885835955 757558617 /nfs/dbraw/zinc/55/86/17/757558617.db2.gz CHAYJTHEZNLTLS-UWVGGRQHSA-N 1 1 196.338 1.892 20 0 ADADMO CC1CC(C[N@H+]2CCNCC2(C)C)C1 885835858 757558673 /nfs/dbraw/zinc/55/86/73/757558673.db2.gz RQQAWNREYCHQDJ-UHFFFAOYSA-N 1 1 196.338 1.716 20 0 ADADMO CC1CC(CN2CC[NH2+]CC2(C)C)C1 885835858 757558706 /nfs/dbraw/zinc/55/87/06/757558706.db2.gz RQQAWNREYCHQDJ-UHFFFAOYSA-N 1 1 196.338 1.716 20 0 ADADMO CC[C@@H](C)CN1CCC[C@@]12CC[NH2+]C2 885834454 757558808 /nfs/dbraw/zinc/55/88/08/757558808.db2.gz FNOYEJWFTYOZLJ-NEPJUHHUSA-N 1 1 196.338 1.860 20 0 ADADMO CC1CC(C[N@H+]2CCN[C@H](C)[C@@H]2C)C1 885835931 757559237 /nfs/dbraw/zinc/55/92/37/757559237.db2.gz YVGOLAYLLZMVIN-UPOSSJBDSA-N 1 1 196.338 1.715 20 0 ADADMO CC1CC(CN2CC[NH2+][C@H](C)[C@@H]2C)C1 885835931 757559291 /nfs/dbraw/zinc/55/92/91/757559291.db2.gz YVGOLAYLLZMVIN-UPOSSJBDSA-N 1 1 196.338 1.715 20 0 ADADMO CC[C@@H](C)CN1CCC[C@]12CC[NH2+]C2 885834459 757560621 /nfs/dbraw/zinc/56/06/21/757560621.db2.gz FNOYEJWFTYOZLJ-VXGBXAGGSA-N 1 1 196.338 1.860 20 0 ADADMO CC1CC(C[N@H+]2CCC[C@@H](O)CC2)C1 885879814 757561122 /nfs/dbraw/zinc/56/11/22/757561122.db2.gz BPJIOLJNCANLLE-HTAVTVPLSA-N 1 1 197.322 1.879 20 0 ADADMO CC1CC(CN2C[C@@H](C)[NH2+][C@H](C)C2)C1 885835810 757561210 /nfs/dbraw/zinc/56/12/10/757561210.db2.gz 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/nfs/dbraw/zinc/17/59/97/573175997.db2.gz JBTUOKKTQZQYEV-UHFFFAOYSA-N 1 1 181.279 1.840 20 0 ADADMO CC[N@@H+](Cc1cc(C)n[nH]1)C(C)C 308293119 573179956 /nfs/dbraw/zinc/17/99/56/573179956.db2.gz IMMDIUDTCNRZID-UHFFFAOYSA-N 1 1 181.283 1.948 20 0 ADADMO CC[N@H+](Cc1cc(C)[nH]n1)C(C)C 308293119 573179960 /nfs/dbraw/zinc/17/99/60/573179960.db2.gz IMMDIUDTCNRZID-UHFFFAOYSA-N 1 1 181.283 1.948 20 0 ADADMO CC[N@@H+](Cc1cc(C)[nH]n1)C(C)C 308293119 573179969 /nfs/dbraw/zinc/17/99/69/573179969.db2.gz IMMDIUDTCNRZID-UHFFFAOYSA-N 1 1 181.283 1.948 20 0 ADADMO CC(C)OC(=O)C[N@H+]1C[C@H](C)C[C@@H]1C 125832038 573180594 /nfs/dbraw/zinc/18/05/94/573180594.db2.gz ZWSHIJGRZXPHPI-ZJUUUORDSA-N 1 1 199.294 1.668 20 0 ADADMO C[C@H]1C[C@H](C)[N@@H+](CCCCCO)C1 125834635 573180717 /nfs/dbraw/zinc/18/07/17/573180717.db2.gz KGLITLQBQJIZCQ-QWRGUYRKSA-N 1 1 185.311 1.879 20 0 ADADMO C[C@@]1([NH2+]CCC2CC2)CCOC1=O 308295044 573182521 /nfs/dbraw/zinc/18/25/21/573182521.db2.gz JOPUTXXSZXGLFS-SNVBAGLBSA-N 1 1 183.251 1.082 20 0 ADADMO CC(C)OC(=O)C[N@H+]1C[C@H](C)C[C@H]1C 125832492 573185146 /nfs/dbraw/zinc/18/51/46/573185146.db2.gz ZWSHIJGRZXPHPI-NXEZZACHSA-N 1 1 199.294 1.668 20 0 ADADMO CC(C)OC(=O)C[N@H+]1C[C@@H](C)C[C@H]1C 125832730 573185522 /nfs/dbraw/zinc/18/55/22/573185522.db2.gz ZWSHIJGRZXPHPI-VHSXEESVSA-N 1 1 199.294 1.668 20 0 ADADMO CC[C@H](C)C[N@@H+](C)[C@@H]1CCOC1=O 308301474 573192085 /nfs/dbraw/zinc/19/20/85/573192085.db2.gz MDROKIUEMUSGSK-DTWKUNHWSA-N 1 1 185.267 1.280 20 0 ADADMO CC[C@H](C)C[N@@H+](C)[C@H]1CCOC1=O 308301476 573192486 /nfs/dbraw/zinc/19/24/86/573192486.db2.gz MDROKIUEMUSGSK-IUCAKERBSA-N 1 1 185.267 1.280 20 0 ADADMO CC[C@@H](C)C[N@@H+](C)[C@@H]1CCOC1=O 308301478 573193589 /nfs/dbraw/zinc/19/35/89/573193589.db2.gz MDROKIUEMUSGSK-RKDXNWHRSA-N 1 1 185.267 1.280 20 0 ADADMO CCCC[N@H+]1CC[C@@H](CO)[C@H]1C 259368396 573193709 /nfs/dbraw/zinc/19/37/09/573193709.db2.gz KPVXDFLWDBDTGP-ZJUUUORDSA-N 1 1 171.284 1.489 20 0 ADADMO CCCC[N@H+]1CC[C@H](CO)[C@H]1C 259368390 573194632 /nfs/dbraw/zinc/19/46/32/573194632.db2.gz KPVXDFLWDBDTGP-NXEZZACHSA-N 1 1 171.284 1.489 20 0 ADADMO CCCC[N@H+]1CC[C@@H](CO)[C@@H]1C 259368392 573196510 /nfs/dbraw/zinc/19/65/10/573196510.db2.gz KPVXDFLWDBDTGP-UWVGGRQHSA-N 1 1 171.284 1.489 20 0 ADADMO C[C@@H]1COCC[N@@H+](CCCCF)C1 308304245 573197012 /nfs/dbraw/zinc/19/70/12/573197012.db2.gz NNUYRATVEKEXOG-JTQLQIEISA-N 1 1 189.274 1.704 20 0 ADADMO COC(C[N@H+]1CC[C@H](C)[C@@H]1C)OC 308304890 573198498 /nfs/dbraw/zinc/19/84/98/573198498.db2.gz NEBAYDAAHFMJBE-IUCAKERBSA-N 1 1 187.283 1.336 20 0 ADADMO C[N@H+](CCF)Cc1cccc(O)c1 308312429 573228399 /nfs/dbraw/zinc/22/83/99/573228399.db2.gz SQULIIFPAHPIJJ-UHFFFAOYSA-N 1 1 183.226 1.794 20 0 ADADMO C[N@@H+](CCF)Cc1cccc(O)c1 308312429 573228405 /nfs/dbraw/zinc/22/84/05/573228405.db2.gz SQULIIFPAHPIJJ-UHFFFAOYSA-N 1 1 183.226 1.794 20 0 ADADMO CCC(=O)CC[N@@H+]1CCOC[C@H]1C 308314109 573231781 /nfs/dbraw/zinc/23/17/81/573231781.db2.gz UFLBBISSQRQFAY-SECBINFHSA-N 1 1 185.267 1.076 20 0 ADADMO CCC(=O)CC[N@H+]1CCOC[C@H]1C 308314109 573231785 /nfs/dbraw/zinc/23/17/85/573231785.db2.gz UFLBBISSQRQFAY-SECBINFHSA-N 1 1 185.267 1.076 20 0 ADADMO CCOC(=O)/C=C\C[N@H+]1CC[C@H](C)C1 308324115 573240041 /nfs/dbraw/zinc/24/00/41/573240041.db2.gz UQCMKLHPWPGCLP-LWTINBJPSA-N 1 1 197.278 1.448 20 0 ADADMO C[NH2+]C[C@@H](C)CNCc1ccccc1 86070497 573241143 /nfs/dbraw/zinc/24/11/43/573241143.db2.gz IPAJEKQUHPNAPX-LLVKDONJSA-N 1 1 192.306 1.632 20 0 ADADMO CCC(=O)NCC[N@H+](CC)C(C)C 308328015 573253089 /nfs/dbraw/zinc/25/30/89/573253089.db2.gz GVLOHTZOOAWYOO-UHFFFAOYSA-N 1 1 186.299 1.243 20 0 ADADMO CN(CCC1CC1)c1cc[nH+]c(N)n1 308529957 573254798 /nfs/dbraw/zinc/25/47/98/573254798.db2.gz ROHDWQDTMPYJKV-UHFFFAOYSA-N 1 1 192.266 1.295 20 0 ADADMO CC[N@@H+](CC1CC1)[C@@H]1CCOC1=O 308327782 573255868 /nfs/dbraw/zinc/25/58/68/573255868.db2.gz GQVUDIKQPOQRTB-SECBINFHSA-N 1 1 183.251 1.034 20 0 ADADMO CC[N@@H+](C/C=C/Cl)[C@@H](C)CO 393512711 573256462 /nfs/dbraw/zinc/25/64/62/573256462.db2.gz KANKNPUEUGSNGK-ZJELKQJVSA-N 1 1 177.675 1.442 20 0 ADADMO CC[N@@H+](CC1CC1)[C@H]1CCOC1=O 308327783 573256481 /nfs/dbraw/zinc/25/64/81/573256481.db2.gz GQVUDIKQPOQRTB-VIFPVBQESA-N 1 1 183.251 1.034 20 0 ADADMO CC[N@H+](Cc1cnc[nH]1)CC(C)C 308332127 573260591 /nfs/dbraw/zinc/26/05/91/573260591.db2.gz JHRYHEOLWYQLBH-UHFFFAOYSA-N 1 1 181.283 1.888 20 0 ADADMO CC[N@@H+](Cc1c[nH]cn1)CC(C)C 308332127 573260596 /nfs/dbraw/zinc/26/05/96/573260596.db2.gz JHRYHEOLWYQLBH-UHFFFAOYSA-N 1 1 181.283 1.888 20 0 ADADMO CC[C@H](O)C[N@H+]1CC[C@H](CC)[C@@H]1C 308332098 573261800 /nfs/dbraw/zinc/26/18/00/573261800.db2.gz JFUKNURFLMIUGR-DCAQKATOSA-N 1 1 185.311 1.878 20 0 ADADMO C[N@H+](C/C=C\Cl)CCn1cccn1 308332452 573262100 /nfs/dbraw/zinc/26/21/00/573262100.db2.gz JLUDFSREJFLBQK-RQOWECAXSA-N 1 1 199.685 1.567 20 0 ADADMO CC[C@H](O)C[N@H+]1CC[C@@H](CC)[C@H]1C 308332099 573262306 /nfs/dbraw/zinc/26/23/06/573262306.db2.gz JFUKNURFLMIUGR-MXWKQRLJSA-N 1 1 185.311 1.878 20 0 ADADMO OC[C@H]1CCC[N@@H+](CCCF)CC1 393499005 573263366 /nfs/dbraw/zinc/26/33/66/573263366.db2.gz YSMAYSHQVSZZGM-JTQLQIEISA-N 1 1 189.274 1.440 20 0 ADADMO OC[C@@H]1CCC[N@@H+](CCCF)CC1 393499006 573265437 /nfs/dbraw/zinc/26/54/37/573265437.db2.gz YSMAYSHQVSZZGM-SNVBAGLBSA-N 1 1 189.274 1.440 20 0 ADADMO CC[N@H+](Cn1cc(Cl)cn1)C1CC1 393579075 573267185 /nfs/dbraw/zinc/26/71/85/573267185.db2.gz BYAWOAIAEJNGRU-UHFFFAOYSA-N 1 1 199.685 1.978 20 0 ADADMO CC[N@@H+](Cn1cc(Cl)cn1)C1CC1 393579075 573267191 /nfs/dbraw/zinc/26/71/91/573267191.db2.gz BYAWOAIAEJNGRU-UHFFFAOYSA-N 1 1 199.685 1.978 20 0 ADADMO Cc1cccc(N[C@@H](CO)C(C)C)[nH+]1 86126586 573268716 /nfs/dbraw/zinc/26/87/16/573268716.db2.gz RJODSDWPXZBOBT-JTQLQIEISA-N 1 1 194.278 1.819 20 0 ADADMO CCC[C@H](O)C[N@@H+](CC)C(C)C 50193273 573288712 /nfs/dbraw/zinc/28/87/12/573288712.db2.gz RFLPLLYDNDPPJX-JTQLQIEISA-N 1 1 173.300 1.878 20 0 ADADMO CC(C)CC[N@H+]1CC[C@@H](CO)[C@@H]1C 259405032 573288788 /nfs/dbraw/zinc/28/87/88/573288788.db2.gz MNADQKJPKMPNFG-QWRGUYRKSA-N 1 1 185.311 1.735 20 0 ADADMO CC(C)CC[N@H+]1CC[C@H](CO)[C@H]1C 259405025 573288928 /nfs/dbraw/zinc/28/89/28/573288928.db2.gz MNADQKJPKMPNFG-GHMZBOCLSA-N 1 1 185.311 1.735 20 0 ADADMO CCC[C@@H](O)C[N@@H+](CC)C(C)C 50193275 573292544 /nfs/dbraw/zinc/29/25/44/573292544.db2.gz RFLPLLYDNDPPJX-SNVBAGLBSA-N 1 1 173.300 1.878 20 0 ADADMO CC[C@@H]([NH2+][C@H]1CCC1(C)C)C(=O)OC 308546150 573310938 /nfs/dbraw/zinc/31/09/38/573310938.db2.gz PTJHLZUIOQTNKF-BDAKNGLRSA-N 1 1 199.294 1.716 20 0 ADADMO C[C@H]1CC[C@H]1[NH2+]CCCN1CCCC1 308546810 573311314 /nfs/dbraw/zinc/31/13/14/573311314.db2.gz PZISLNLIUDARDF-NWDGAFQWSA-N 1 1 196.338 1.860 20 0 ADADMO C[C@@H]1CC[C@@H]1[NH2+]CCCN1CCCC1 308546809 573312533 /nfs/dbraw/zinc/31/25/33/573312533.db2.gz PZISLNLIUDARDF-NEPJUHHUSA-N 1 1 196.338 1.860 20 0 ADADMO CC(C)[C@H]1C[C@H]([NH3+])CC[N@H+]1C 74342424 573327433 /nfs/dbraw/zinc/32/74/33/573327433.db2.gz DNBJHISJHLTYOS-RKDXNWHRSA-N 1 1 156.273 1.064 20 0 ADADMO Cc1cccc2c1C[N@@H+](C)CC2 74449835 573339273 /nfs/dbraw/zinc/33/92/73/573339273.db2.gz XBECECDPBFZMKD-UHFFFAOYSA-N 1 1 161.248 1.983 20 0 ADADMO C[C@H]1C[N@@H+](CCO)Cc2ccccc21 74450562 573339819 /nfs/dbraw/zinc/33/98/19/573339819.db2.gz WUWBGKSFUZVGGC-JTQLQIEISA-N 1 1 191.274 1.598 20 0 ADADMO CN(C)CCC[NH2+]C[C@@H]1CCC=CO1 50267404 573340038 /nfs/dbraw/zinc/34/00/38/573340038.db2.gz VKBDXBXHJGAGGR-NSHDSACASA-N 1 1 198.310 1.220 20 0 ADADMO Cc1cccc2c1CC[N@@H+](CCO)C2 74447940 573340102 /nfs/dbraw/zinc/34/01/02/573340102.db2.gz NZIHODAEEKYWBE-UHFFFAOYSA-N 1 1 191.274 1.345 20 0 ADADMO C[C@@H]1C[NH2+][C@@H](c2ccccc2)[C@@H](N)C1 143640760 573340862 /nfs/dbraw/zinc/34/08/62/573340862.db2.gz FYXJYIVKIOJESY-DLOVCJGASA-N 1 1 190.290 1.684 20 0 ADADMO C[C@@H]1C[N@@H+](CCO)Cc2ccccc21 74450560 573340879 /nfs/dbraw/zinc/34/08/79/573340879.db2.gz WUWBGKSFUZVGGC-SNVBAGLBSA-N 1 1 191.274 1.598 20 0 ADADMO [NH3+][C@H]1CCN[C@@H](c2cccs2)C1 107129020 573364827 /nfs/dbraw/zinc/36/48/27/573364827.db2.gz BFRGMDZWJLFNCH-JGVFFNPUSA-N 1 1 182.292 1.500 20 0 ADADMO CC[C@@H](C)[N@H+]1CCC[C@@H](CO)CC1 307132609 573364561 /nfs/dbraw/zinc/36/45/61/573364561.db2.gz HDXJVIIJWSBIQQ-GHMZBOCLSA-N 1 1 185.311 1.879 20 0 ADADMO [NH3+][C@H]1CCN[C@H](c2cccs2)C1 107129017 573364610 /nfs/dbraw/zinc/36/46/10/573364610.db2.gz BFRGMDZWJLFNCH-YUMQZZPRSA-N 1 1 182.292 1.500 20 0 ADADMO [NH3+][C@H]1CCN[C@H](c2ccccc2)C1 107125639 573365037 /nfs/dbraw/zinc/36/50/37/573365037.db2.gz JARPDFJLPALQFX-QWRGUYRKSA-N 1 1 176.263 1.438 20 0 ADADMO CCC[N@H+]1CCC[C@H](CO)CC1 307085155 573367834 /nfs/dbraw/zinc/36/78/34/573367834.db2.gz XCNHYZTVRWRQAK-JTQLQIEISA-N 1 1 171.284 1.491 20 0 ADADMO NC1(C[NH2+]Cc2ccc(F)cc2)CC1 259099730 573375968 /nfs/dbraw/zinc/37/59/68/573375968.db2.gz OHZALOFKRVZYFO-UHFFFAOYSA-N 1 1 194.253 1.407 20 0 ADADMO CC[N@H+](Cc1ncc[nH]1)CC(C)C 308376104 573376031 /nfs/dbraw/zinc/37/60/31/573376031.db2.gz SEJNVMGMZLEKQB-UHFFFAOYSA-N 1 1 181.283 1.888 20 0 ADADMO CC[N@@H+](C)CCNC(=O)CC(C)C 308377597 573381522 /nfs/dbraw/zinc/38/15/22/573381522.db2.gz SZNZXZBDAMKDML-UHFFFAOYSA-N 1 1 186.299 1.100 20 0 ADADMO CCCCC(=O)N1CC[N@H+](C)[C@H](C)C1 74755141 573387277 /nfs/dbraw/zinc/38/72/77/573387277.db2.gz JUOGMRVOPJHQLY-SNVBAGLBSA-N 1 1 198.310 1.339 20 0 ADADMO CCCCC(=O)N1CC[N@@H+](C)[C@H](C)C1 74755141 573387279 /nfs/dbraw/zinc/38/72/79/573387279.db2.gz JUOGMRVOPJHQLY-SNVBAGLBSA-N 1 1 198.310 1.339 20 0 ADADMO CC(C)CC(=O)N1CC[N@H+](C)[C@H](C)C1 74755143 573387639 /nfs/dbraw/zinc/38/76/39/573387639.db2.gz VYRXKQKGNBYRSE-SNVBAGLBSA-N 1 1 198.310 1.195 20 0 ADADMO CC(C)CC(=O)N1CC[N@@H+](C)[C@H](C)C1 74755143 573387646 /nfs/dbraw/zinc/38/76/46/573387646.db2.gz VYRXKQKGNBYRSE-SNVBAGLBSA-N 1 1 198.310 1.195 20 0 ADADMO COCC1([NH2+][C@H](C)c2ncc[nH]2)CC1 308576196 573403825 /nfs/dbraw/zinc/40/38/25/573403825.db2.gz DNYBGTQSGZEZQO-MRVPVSSYSA-N 1 1 195.266 1.239 20 0 ADADMO CCOC(=O)[C@H](C)[NH2+]C[C@H]1C[C@@H]1C 133555997 573405443 /nfs/dbraw/zinc/40/54/43/573405443.db2.gz QCGTVPNDWRHNIG-XHNCKOQMSA-N 1 1 185.267 1.184 20 0 ADADMO CN(C)c1ncccc1C[NH2+]CCF 308577186 573409987 /nfs/dbraw/zinc/40/99/87/573409987.db2.gz DYBIKAFSNBOHGV-UHFFFAOYSA-N 1 1 197.257 1.207 20 0 ADADMO CCC[C@H](C)c1noc(C2([NH3+])CC2)n1 393632676 573413479 /nfs/dbraw/zinc/41/34/79/573413479.db2.gz QZUPHKRXZJEVLE-ZETCQYMHSA-N 1 1 195.266 1.921 20 0 ADADMO CCC[C@@H](C)c1noc(C2([NH3+])CC2)n1 393632674 573414484 /nfs/dbraw/zinc/41/44/84/573414484.db2.gz QZUPHKRXZJEVLE-SSDOTTSWSA-N 1 1 195.266 1.921 20 0 ADADMO OCCCCCC[NH2+]Cc1c[nH]cn1 133608620 573415150 /nfs/dbraw/zinc/41/51/50/573415150.db2.gz MBUYPQDQCJJXOW-UHFFFAOYSA-N 1 1 197.282 1.052 20 0 ADADMO OCCCCCC[NH2+]Cc1ccn[nH]1 133612739 573415546 /nfs/dbraw/zinc/41/55/46/573415546.db2.gz HTHZYTOJYKYGFN-UHFFFAOYSA-N 1 1 197.282 1.052 20 0 ADADMO CCCCCC[NH2+][C@]1(C)CCOC1=O 308581103 573432441 /nfs/dbraw/zinc/43/24/41/573432441.db2.gz GPALJKFQKDHNSH-LLVKDONJSA-N 1 1 199.294 1.862 20 0 ADADMO CC(C)N1CC[C@H]2CC[NH2+]C[C@@H]2C1 107229784 573436146 /nfs/dbraw/zinc/43/61/46/573436146.db2.gz QNBSALZWEPWOAA-GHMZBOCLSA-N 1 1 182.311 1.326 20 0 ADADMO C1C[C@H]2CCN(C3CC3)C[C@H]2C[NH2+]1 107227940 573437467 /nfs/dbraw/zinc/43/74/67/573437467.db2.gz YXQCDIWPBKUKOB-VHSXEESVSA-N 1 1 180.295 1.080 20 0 ADADMO C1CCC(c2[nH]nc3c2C[NH2+]CC3)C1 107233572 573439617 /nfs/dbraw/zinc/43/96/17/573439617.db2.gz OJAWFIVSCZSKJD-UHFFFAOYSA-N 1 1 191.278 1.713 20 0 ADADMO CCCCC[N@H+]1CCNC(=O)C1(C)C 259103314 573443756 /nfs/dbraw/zinc/44/37/56/573443756.db2.gz ARAAOILZFQQIOV-UHFFFAOYSA-N 1 1 198.310 1.387 20 0 ADADMO C[C@@H]([NH3+])CN(C)CCC1CCC1 258656447 573444174 /nfs/dbraw/zinc/44/41/74/573444174.db2.gz BIAFANFDMYSZQY-SECBINFHSA-N 1 1 170.300 1.456 20 0 ADADMO C[C@@H](N)C[N@H+](C)CCC1CCC1 258656447 573444179 /nfs/dbraw/zinc/44/41/79/573444179.db2.gz BIAFANFDMYSZQY-SECBINFHSA-N 1 1 170.300 1.456 20 0 ADADMO C[C@@H](N)C[N@@H+](C)CCC1CCC1 258656447 573444183 /nfs/dbraw/zinc/44/41/83/573444183.db2.gz BIAFANFDMYSZQY-SECBINFHSA-N 1 1 170.300 1.456 20 0 ADADMO CN(C)CCC[NH2+][C@H]1CC[C@H]1C1CC1 308587580 573448135 /nfs/dbraw/zinc/44/81/35/573448135.db2.gz IWZPRIWBAMGIDR-RYUDHWBXSA-N 1 1 196.338 1.716 20 0 ADADMO Cc1ccoc1C[N@H+](C)[C@@H](C)[C@@H](C)O 308587652 573448333 /nfs/dbraw/zinc/44/83/33/573448333.db2.gz SVNVKFTUCMAOJX-VHSXEESVSA-N 1 1 197.278 1.789 20 0 ADADMO CN(C)CCC[NH2+][C@@H]1CC[C@H]1C1CC1 308587579 573448868 /nfs/dbraw/zinc/44/88/68/573448868.db2.gz IWZPRIWBAMGIDR-NWDGAFQWSA-N 1 1 196.338 1.716 20 0 ADADMO Cc1ccoc1C[N@H+](C)[C@@H](C)[C@H](C)O 308587651 573451649 /nfs/dbraw/zinc/45/16/49/573451649.db2.gz SVNVKFTUCMAOJX-UWVGGRQHSA-N 1 1 197.278 1.789 20 0 ADADMO CN(C)CCC[NH2+][C@H]1CC[C@@H]1C1CC1 308587578 573449237 /nfs/dbraw/zinc/44/92/37/573449237.db2.gz IWZPRIWBAMGIDR-NEPJUHHUSA-N 1 1 196.338 1.716 20 0 ADADMO CN(C)CCC[NH2+][C@@H]1CC[C@@H]1C1CC1 308587581 573449732 /nfs/dbraw/zinc/44/97/32/573449732.db2.gz IWZPRIWBAMGIDR-VXGBXAGGSA-N 1 1 196.338 1.716 20 0 ADADMO Cc1ccoc1C[N@H+](C)[C@H](C)[C@H](C)O 308587653 573449848 /nfs/dbraw/zinc/44/98/48/573449848.db2.gz SVNVKFTUCMAOJX-ZJUUUORDSA-N 1 1 197.278 1.789 20 0 ADADMO Cc1ccoc1C[N@H+](C)[C@H](C)[C@@H](C)O 308587650 573450352 /nfs/dbraw/zinc/45/03/52/573450352.db2.gz SVNVKFTUCMAOJX-NXEZZACHSA-N 1 1 197.278 1.789 20 0 ADADMO C[C@H]([NH3+])CN(C)CCC1CCC1 258658422 573453119 /nfs/dbraw/zinc/45/31/19/573453119.db2.gz BIAFANFDMYSZQY-VIFPVBQESA-N 1 1 170.300 1.456 20 0 ADADMO C[C@H](N)C[N@H+](C)CCC1CCC1 258658422 573453126 /nfs/dbraw/zinc/45/31/26/573453126.db2.gz BIAFANFDMYSZQY-VIFPVBQESA-N 1 1 170.300 1.456 20 0 ADADMO C[C@H](N)C[N@@H+](C)CCC1CCC1 258658422 573453134 /nfs/dbraw/zinc/45/31/34/573453134.db2.gz BIAFANFDMYSZQY-VIFPVBQESA-N 1 1 170.300 1.456 20 0 ADADMO C[C@H]([NH3+])c1nc(-c2cscn2)no1 83281114 573456042 /nfs/dbraw/zinc/45/60/42/573456042.db2.gz JCLAXINYFIFKKU-BYPYZUCNSA-N 1 1 196.235 1.213 20 0 ADADMO C[N@@H+]1CC[C@H](N)[C@H]1C(C)(C)C 107273843 573466088 /nfs/dbraw/zinc/46/60/88/573466088.db2.gz CEMLQJBQRDBBKU-YUMQZZPRSA-N 1 1 156.273 1.064 20 0 ADADMO C[N@H+]1CC[C@H](N)[C@H]1C(C)(C)C 107273843 573466096 /nfs/dbraw/zinc/46/60/96/573466096.db2.gz CEMLQJBQRDBBKU-YUMQZZPRSA-N 1 1 156.273 1.064 20 0 ADADMO CN1CC[C@H]([NH3+])[C@H]1C(C)(C)C 107273843 573466101 /nfs/dbraw/zinc/46/61/01/573466101.db2.gz CEMLQJBQRDBBKU-YUMQZZPRSA-N 1 1 156.273 1.064 20 0 ADADMO C[N@@H+]1CC[C@@H](N)[C@H]1C(C)(C)C 107273838 573466987 /nfs/dbraw/zinc/46/69/87/573466987.db2.gz CEMLQJBQRDBBKU-SFYZADRCSA-N 1 1 156.273 1.064 20 0 ADADMO C[N@H+]1CC[C@@H](N)[C@H]1C(C)(C)C 107273838 573466993 /nfs/dbraw/zinc/46/69/93/573466993.db2.gz CEMLQJBQRDBBKU-SFYZADRCSA-N 1 1 156.273 1.064 20 0 ADADMO CN1CC[C@@H]([NH3+])[C@H]1C(C)(C)C 107273838 573466999 /nfs/dbraw/zinc/46/69/99/573466999.db2.gz CEMLQJBQRDBBKU-SFYZADRCSA-N 1 1 156.273 1.064 20 0 ADADMO CCCC[N@@H+](CC)[C@@H]1CCOC1=O 308391187 573471606 /nfs/dbraw/zinc/47/16/06/573471606.db2.gz ZQIWCCOUPRHSCG-SECBINFHSA-N 1 1 185.267 1.424 20 0 ADADMO C[C@@H](CCC1CC1)[NH2+][C@H]1CCOC1=O 308594222 573478177 /nfs/dbraw/zinc/47/81/77/573478177.db2.gz XMRMBQWGYOXNOA-WPRPVWTQSA-N 1 1 197.278 1.470 20 0 ADADMO CC(C)C(C)(C)[NH2+]Cc1c[nH]cn1 393585593 573502106 /nfs/dbraw/zinc/50/21/06/573502106.db2.gz RCTLMQPYRKXKHO-UHFFFAOYSA-N 1 1 181.283 1.934 20 0 ADADMO C[C@H](NC/C=C\C1CC1)C1C[NH2+]C1 686245705 573502131 /nfs/dbraw/zinc/50/21/31/573502131.db2.gz GCSPLYNEBVYEGK-XADBCAIWSA-N 1 1 180.295 1.150 20 0 ADADMO Cn1cnc(C[NH2+]C(C)(C)CF)c1 308398043 573502256 /nfs/dbraw/zinc/50/22/56/573502256.db2.gz GPPOGZIQDOPBCR-UHFFFAOYSA-N 1 1 185.246 1.258 20 0 ADADMO C[C@@H](NC/C=C\C1CC1)C1C[NH2+]C1 686245704 573502595 /nfs/dbraw/zinc/50/25/95/573502595.db2.gz GCSPLYNEBVYEGK-PKRMOACSSA-N 1 1 180.295 1.150 20 0 ADADMO CCOC(=[NH2+])CCCOC 83440482 573511237 /nfs/dbraw/zinc/51/12/37/573511237.db2.gz KJTZSPMIEYYITR-UHFFFAOYSA-N 1 1 145.202 1.427 20 0 ADADMO c1cc(C[NH2+]CC2(C3CC3)CC2)[nH]n1 125838098 573518258 /nfs/dbraw/zinc/51/82/58/573518258.db2.gz CHRNVOMUVAIWAO-UHFFFAOYSA-N 1 1 191.278 1.690 20 0 ADADMO C[NH+](C)CC(C)(C)NC/C=C/Cl 308630126 573550521 /nfs/dbraw/zinc/55/05/21/573550521.db2.gz FMXIQBSRJZAVLG-AATRIKPKSA-N 1 1 190.718 1.669 20 0 ADADMO CC1(C)CN(C[C@@H]2CCC[NH2+]C2)C1 86663264 573552032 /nfs/dbraw/zinc/55/20/32/573552032.db2.gz LOVITLAJHCSZOV-SNVBAGLBSA-N 1 1 182.311 1.328 20 0 ADADMO C[NH+](C)CC(C)(C)NC/C=C\Cl 308630127 573552528 /nfs/dbraw/zinc/55/25/28/573552528.db2.gz FMXIQBSRJZAVLG-WAYWQWQTSA-N 1 1 190.718 1.669 20 0 ADADMO c1nc(C[NH2+]CCC2CCC2)c[nH]1 130351752 573553778 /nfs/dbraw/zinc/55/37/78/573553778.db2.gz LVQQFDFTPPHIFG-UHFFFAOYSA-N 1 1 179.267 1.690 20 0 ADADMO C[N@@H+](CCCCCF)C(C)(C)CO 393535849 573561077 /nfs/dbraw/zinc/56/10/77/573561077.db2.gz JFCQEIKUICPGCW-UHFFFAOYSA-N 1 1 191.290 1.829 20 0 ADADMO CO[C@H](C[NH2+]Cc1c[nH]cn1)C(C)C 308621845 573562246 /nfs/dbraw/zinc/56/22/46/573562246.db2.gz UFEOCZFZXNGMPM-SNVBAGLBSA-N 1 1 197.282 1.170 20 0 ADADMO O[C@H]1CC[N@@H+](CCc2cccs2)C1 78643048 573564425 /nfs/dbraw/zinc/56/44/25/573564425.db2.gz KYGPHQNJGFENTK-VIFPVBQESA-N 1 1 197.303 1.357 20 0 ADADMO CO[C@@H](C[NH2+]Cc1c[nH]cn1)C(C)C 308621844 573564921 /nfs/dbraw/zinc/56/49/21/573564921.db2.gz UFEOCZFZXNGMPM-JTQLQIEISA-N 1 1 197.282 1.170 20 0 ADADMO C[C@@H](NCc1c[nH]cn1)c1ccc[nH]1 308624874 573569440 /nfs/dbraw/zinc/56/94/40/573569440.db2.gz VMOVYCMRUUFLIE-MRVPVSSYSA-N 1 1 190.250 1.589 20 0 ADADMO CC1=CC[N@@H+](C[C@@H]2CCC[NH2+]C2)CC1 75423268 573570834 /nfs/dbraw/zinc/57/08/34/573570834.db2.gz FXRJBSCEKKBHIG-GFCCVEGCSA-N 1 1 194.322 1.638 20 0 ADADMO Cc1c[nH+]cn1-c1ccc(N)nc1 95929830 573580440 /nfs/dbraw/zinc/58/04/40/573580440.db2.gz QEQRMMAHJVQYNP-UHFFFAOYSA-N 1 1 174.207 1.158 20 0 ADADMO CC[N@@H+](CCNC(=O)OC)C(C)C 393538917 573591795 /nfs/dbraw/zinc/59/17/95/573591795.db2.gz PEZVODDVFKCNDF-UHFFFAOYSA-N 1 1 188.271 1.073 20 0 ADADMO CC[NH2+]Cc1nc([C@@H]2CCCO2)no1 83710485 573596697 /nfs/dbraw/zinc/59/66/97/573596697.db2.gz DWPLBMYFCUMXQQ-ZETCQYMHSA-N 1 1 197.238 1.031 20 0 ADADMO CC[N@H+]1CCC[C@@H](OCC2CC2)C1 393540362 573598778 /nfs/dbraw/zinc/59/87/78/573598778.db2.gz XEKRVHHQOCNYIM-LLVKDONJSA-N 1 1 183.295 1.897 20 0 ADADMO N[C@H]1CCC[C@@H]1[NH2+]CCC1CCC1 259137956 573600051 /nfs/dbraw/zinc/60/00/51/573600051.db2.gz ULEHKNFXPUHISR-QWRGUYRKSA-N 1 1 182.311 1.646 20 0 ADADMO N[C@H]1CCC[C@H]1[NH2+]CCC1CCC1 259137957 573600421 /nfs/dbraw/zinc/60/04/21/573600421.db2.gz ULEHKNFXPUHISR-WDEREUQCSA-N 1 1 182.311 1.646 20 0 ADADMO N[C@@H]1CCC[C@@H]1[NH2+]CCC1CCC1 259137955 573601641 /nfs/dbraw/zinc/60/16/41/573601641.db2.gz ULEHKNFXPUHISR-MNOVXSKESA-N 1 1 182.311 1.646 20 0 ADADMO CS[C@@H]1CC[C@@H]([N@H+](C)CCN)C1 393540791 573603916 /nfs/dbraw/zinc/60/39/16/573603916.db2.gz XSXJYGLQZSKHAU-RKDXNWHRSA-N 1 1 188.340 1.161 20 0 ADADMO CS[C@@H]1CC[C@@H]([N@@H+](C)CCN)C1 393540791 573603922 /nfs/dbraw/zinc/60/39/22/573603922.db2.gz XSXJYGLQZSKHAU-RKDXNWHRSA-N 1 1 188.340 1.161 20 0 ADADMO CS[C@H]1CC[C@H]([N@H+](C)CCN)C1 393540790 573604158 /nfs/dbraw/zinc/60/41/58/573604158.db2.gz 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573623834 /nfs/dbraw/zinc/62/38/34/573623834.db2.gz GVMYQXQNWMBHGE-UHFFFAOYSA-N 1 1 194.282 1.044 20 0 ADADMO Cc1nnc(CC[NH2+]C2CC(C)C2)[nH]1 308644496 573623842 /nfs/dbraw/zinc/62/38/42/573623842.db2.gz GVMYQXQNWMBHGE-UHFFFAOYSA-N 1 1 194.282 1.044 20 0 ADADMO C[C@H]1CC[C@H](C)C1[NH2+]CCCN(C)C 308652906 573641635 /nfs/dbraw/zinc/64/16/35/573641635.db2.gz LZYZYSMWNJRCRZ-QWRGUYRKSA-N 1 1 198.354 1.962 20 0 ADADMO C[C@H]1C[C@H]1c1noc([C@@H](C)[NH3+])n1 83805084 573641843 /nfs/dbraw/zinc/64/18/43/573641843.db2.gz ATDHCRCTLKNBLK-KVQBGUIXSA-N 1 1 167.212 1.213 20 0 ADADMO C[C@@H]([NH3+])c1nc([C@@H]2C[C@H]2C)no1 83805083 573644458 /nfs/dbraw/zinc/64/44/58/573644458.db2.gz ATDHCRCTLKNBLK-HSUXUTPPSA-N 1 1 167.212 1.213 20 0 ADADMO CC[C@@H]([NH3+])c1nc([C@H]2C[C@@H]2C)no1 83804910 573644180 /nfs/dbraw/zinc/64/41/80/573644180.db2.gz GNDYZLKGPMJQOZ-LYFYHCNISA-N 1 1 181.239 1.603 20 0 ADADMO CC[NH2+]Cc1nc([C@@H]2C[C@@H]2C)no1 83805138 573644376 /nfs/dbraw/zinc/64/43/76/573644376.db2.gz 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/nfs/dbraw/zinc/95/85/65/573958565.db2.gz WKESJZPYHSLCQU-JTQLQIEISA-N 1 1 168.284 1.224 20 0 ADADMO CC[C@H](O)C[N@@H+](CC(C)C)C1CC1 42559031 573969167 /nfs/dbraw/zinc/96/91/67/573969167.db2.gz OXZVTPMRRMWHTF-NSHDSACASA-N 1 1 185.311 1.878 20 0 ADADMO CC[N@@H+](CCO)Cc1cc(C)oc1C 127965918 573980938 /nfs/dbraw/zinc/98/09/38/573980938.db2.gz ZMLRMVVODOTPFC-UHFFFAOYSA-N 1 1 197.278 1.711 20 0 ADADMO CCCCC[C@H](C)NCC[NH2+]C 42574030 573982445 /nfs/dbraw/zinc/98/24/45/573982445.db2.gz PTXXFXOMGVENET-JTQLQIEISA-N 1 1 172.316 1.764 20 0 ADADMO CCCCC[C@H](C)[NH2+]C[C@@H](C)N 42574014 573982643 /nfs/dbraw/zinc/98/26/43/573982643.db2.gz SLHIIHHXLXQAON-ZJUUUORDSA-N 1 1 172.316 1.892 20 0 ADADMO CCCCC[C@H](C)[NH2+]C[C@H](C)N 42574019 573983079 /nfs/dbraw/zinc/98/30/79/573983079.db2.gz SLHIIHHXLXQAON-UWVGGRQHSA-N 1 1 172.316 1.892 20 0 ADADMO CCCCC[C@@H](C)NCC[NH2+]C 42574028 573985752 /nfs/dbraw/zinc/98/57/52/573985752.db2.gz PTXXFXOMGVENET-SNVBAGLBSA-N 1 1 172.316 1.764 20 0 ADADMO Cc1ccsc1CNC1CC([NH3+])C1 87652167 573996213 /nfs/dbraw/zinc/99/62/13/573996213.db2.gz QJLZXRGTXXLWKN-UHFFFAOYSA-N 1 1 196.319 1.636 20 0 ADADMO [NH3+]C1CC(NCc2ccc(F)cc2)C1 87651127 573996518 /nfs/dbraw/zinc/99/65/18/573996518.db2.gz GHUIBFIOUFLORV-UHFFFAOYSA-N 1 1 194.253 1.405 20 0 ADADMO Cc1ccc(CNC2CC([NH3+])C2)s1 87651843 573997086 /nfs/dbraw/zinc/99/70/86/573997086.db2.gz UQFJMNHPHWUSOP-UHFFFAOYSA-N 1 1 196.319 1.636 20 0 ADADMO [NH3+]C1CC(NCc2ccsc2)C1 87651929 573997277 /nfs/dbraw/zinc/99/72/77/573997277.db2.gz KEYNQPPXCFUVJT-UHFFFAOYSA-N 1 1 182.292 1.327 20 0 ADADMO CSc1cccc([C@@H]([NH3+])C(C)=O)c1 104478710 573998522 /nfs/dbraw/zinc/99/85/22/573998522.db2.gz VKKUJNVODXDEER-JTQLQIEISA-N 1 1 195.287 1.997 20 0 ADADMO CSc1ccccc1[C@H]([NH3+])C(C)=O 104478704 573998898 /nfs/dbraw/zinc/99/88/98/573998898.db2.gz FJZXBNCWTMVFSV-SNVBAGLBSA-N 1 1 195.287 1.997 20 0 ADADMO CCNc1cc[nH+]c(NCC)n1 82266734 573998967 /nfs/dbraw/zinc/99/89/67/573998967.db2.gz KZMNFSGMMHDXKO-UHFFFAOYSA-N 1 1 166.228 1.340 20 0 ADADMO CSc1ccccc1[C@@H]([NH3+])C(C)=O 104478697 573998996 /nfs/dbraw/zinc/99/89/96/573998996.db2.gz FJZXBNCWTMVFSV-JTQLQIEISA-N 1 1 195.287 1.997 20 0 ADADMO CSc1cccc([C@H]([NH3+])C(C)=O)c1 104478715 574002281 /nfs/dbraw/zinc/00/22/81/574002281.db2.gz VKKUJNVODXDEER-SNVBAGLBSA-N 1 1 195.287 1.997 20 0 ADADMO COc1ccc([C@H]([NH3+])C(C)=O)cc1F 104493519 574008966 /nfs/dbraw/zinc/00/89/66/574008966.db2.gz ICZAFUSCUAYFHO-SNVBAGLBSA-N 1 1 197.209 1.423 20 0 ADADMO CC(=O)[C@@H]([NH3+])c1ccc(F)c(F)c1 104491128 574010113 /nfs/dbraw/zinc/01/01/13/574010113.db2.gz PVYWEQCRWTXWLT-SECBINFHSA-N 1 1 185.173 1.554 20 0 ADADMO COc1cc(F)cc([C@H]([NH3+])C(C)=O)c1 104494858 574015183 /nfs/dbraw/zinc/01/51/83/574015183.db2.gz RMLINJYCLQYTLA-SNVBAGLBSA-N 1 1 197.209 1.423 20 0 ADADMO C[NH2+]Cc1nc([C@H]2CCCS2)no1 87700028 574017233 /nfs/dbraw/zinc/01/72/33/574017233.db2.gz IIFXJIHDKJESJX-ZCFIWIBFSA-N 1 1 199.279 1.357 20 0 ADADMO OCC[N@H+](CCF)Cc1ccccc1 87689883 574017346 /nfs/dbraw/zinc/01/73/46/574017346.db2.gz LOOKWCQIJZKJMC-UHFFFAOYSA-N 1 1 197.253 1.450 20 0 ADADMO OCC[N@@H+](CCF)Cc1ccccc1 87689883 574017350 /nfs/dbraw/zinc/01/73/50/574017350.db2.gz LOOKWCQIJZKJMC-UHFFFAOYSA-N 1 1 197.253 1.450 20 0 ADADMO C[C@@H]([NH3+])c1nc([C@@H]2CCCS2)no1 87700032 574017513 /nfs/dbraw/zinc/01/75/13/574017513.db2.gz PNFWWOSSBKJESK-RITPCOANSA-N 1 1 199.279 1.657 20 0 ADADMO C[C@@H]([NH3+])c1nc([C@H]2CCCS2)no1 87700035 574017558 /nfs/dbraw/zinc/01/75/58/574017558.db2.gz PNFWWOSSBKJESK-PHDIDXHHSA-N 1 1 199.279 1.657 20 0 ADADMO CC[N@H+]1CCn2nc(C3CC3)cc2C1 585385346 574019239 /nfs/dbraw/zinc/01/92/39/574019239.db2.gz YMVDHOABTKYCAN-UHFFFAOYSA-N 1 1 191.278 1.596 20 0 ADADMO Nc1cccc2c1CC[N@H+](CCF)C2 87776565 574030585 /nfs/dbraw/zinc/03/05/85/574030585.db2.gz TYKIMTGGNJLCJT-UHFFFAOYSA-N 1 1 194.253 1.596 20 0 ADADMO Nc1cccc2c1CC[N@@H+](CCF)C2 87776565 574030587 /nfs/dbraw/zinc/03/05/87/574030587.db2.gz TYKIMTGGNJLCJT-UHFFFAOYSA-N 1 1 194.253 1.596 20 0 ADADMO Cc1ncc(C[NH2+]CCF)s1 87774879 574031109 /nfs/dbraw/zinc/03/11/09/574031109.db2.gz UQUPAMUGEJDGRM-UHFFFAOYSA-N 1 1 174.244 1.511 20 0 ADADMO CCOC(=O)[C@H](C)[NH2+]C[C@H](C)CC 49370406 574035302 /nfs/dbraw/zinc/03/53/02/574035302.db2.gz GKSANNOXZTWFFU-BDAKNGLRSA-N 1 1 187.283 1.574 20 0 ADADMO CCOC(=O)[C@@H](C)[NH2+]C[C@H](C)CC 49370410 574035554 /nfs/dbraw/zinc/03/55/54/574035554.db2.gz GKSANNOXZTWFFU-RKDXNWHRSA-N 1 1 187.283 1.574 20 0 ADADMO CCOC(=O)[C@H](C)[NH2+]CC(C)(C)C 49370676 574035577 /nfs/dbraw/zinc/03/55/77/574035577.db2.gz NJLVYAVLVRVXSW-QMMMGPOBSA-N 1 1 187.283 1.574 20 0 ADADMO CCOC(=O)[C@@H](C)[NH2+]CC(C)(C)C 49370674 574035725 /nfs/dbraw/zinc/03/57/25/574035725.db2.gz NJLVYAVLVRVXSW-MRVPVSSYSA-N 1 1 187.283 1.574 20 0 ADADMO CCOC(=O)[C@@H](C)[NH2+][C@H](C)C1CC1 49367850 574036058 /nfs/dbraw/zinc/03/60/58/574036058.db2.gz QCPJGTDNTJZPJX-HTQZYQBOSA-N 1 1 185.267 1.326 20 0 ADADMO CCCC[NH2+][C@@H](C)CCN(C)C 49553419 574041075 /nfs/dbraw/zinc/04/10/75/574041075.db2.gz LHQRUMSWFMOCIQ-JTQLQIEISA-N 1 1 172.316 1.716 20 0 ADADMO CC(C)CC[NH2+][C@H](C)CCN(C)C 49551928 574041124 /nfs/dbraw/zinc/04/11/24/574041124.db2.gz XGBVPURYIXSLFR-LLVKDONJSA-N 1 1 186.343 1.962 20 0 ADADMO CC(C)C[C@@H](C)Nc1cc(N)[nH+]cn1 87810250 574040715 /nfs/dbraw/zinc/04/07/15/574040715.db2.gz ZROUMTCJSGUCPR-MRVPVSSYSA-N 1 1 194.282 1.905 20 0 ADADMO CC(C)C[C@@H](C)Nc1cc(N)nc[nH+]1 87810250 574040717 /nfs/dbraw/zinc/04/07/17/574040717.db2.gz ZROUMTCJSGUCPR-MRVPVSSYSA-N 1 1 194.282 1.905 20 0 ADADMO CN(CC(C)(C)C)c1cc[nH+]c(N)n1 87825415 574042817 /nfs/dbraw/zinc/04/28/17/574042817.db2.gz BDAILMBMEOHZKU-UHFFFAOYSA-N 1 1 194.282 1.541 20 0 ADADMO CCCC[NH2+][C@H](C)CCN(C)C 49553420 574042397 /nfs/dbraw/zinc/04/23/97/574042397.db2.gz LHQRUMSWFMOCIQ-SNVBAGLBSA-N 1 1 172.316 1.716 20 0 ADADMO CC(C)CC[NH2+][C@@H](C)CCN(C)C 49551927 574042480 /nfs/dbraw/zinc/04/24/80/574042480.db2.gz XGBVPURYIXSLFR-NSHDSACASA-N 1 1 186.343 1.962 20 0 ADADMO CNc1cc(NCCSC)nc[nH+]1 87830579 574043151 /nfs/dbraw/zinc/04/31/51/574043151.db2.gz CPTRYQISNCCWDH-UHFFFAOYSA-N 1 1 198.295 1.293 20 0 ADADMO CNc1cc(NC2CCC2)nc[nH+]1 87827073 574042896 /nfs/dbraw/zinc/04/28/96/574042896.db2.gz ZNFILUNERJCCJJ-UHFFFAOYSA-N 1 1 178.239 1.483 20 0 ADADMO C[C@H]1CCCN1c1cc(N)[nH+]cn1 87820069 574042928 /nfs/dbraw/zinc/04/29/28/574042928.db2.gz SELMJWQASRKNRJ-ZETCQYMHSA-N 1 1 178.239 1.048 20 0 ADADMO C[C@@H]1CCCN1c1cc(N)[nH+]cn1 87820067 574043058 /nfs/dbraw/zinc/04/30/58/574043058.db2.gz SELMJWQASRKNRJ-SSDOTTSWSA-N 1 1 178.239 1.048 20 0 ADADMO C[C@H]1CCC[C@H]1Nc1cc(N)[nH+]cn1 87829499 574043066 /nfs/dbraw/zinc/04/30/66/574043066.db2.gz OLBQFRFTNSTGJM-JGVFFNPUSA-N 1 1 192.266 1.659 20 0 ADADMO C[C@H]1CCC[C@H]1Nc1cc(N)nc[nH+]1 87829499 574043068 /nfs/dbraw/zinc/04/30/68/574043068.db2.gz OLBQFRFTNSTGJM-JGVFFNPUSA-N 1 1 192.266 1.659 20 0 ADADMO CNc1cc(NCCSC)[nH+]cn1 87830579 574043152 /nfs/dbraw/zinc/04/31/52/574043152.db2.gz CPTRYQISNCCWDH-UHFFFAOYSA-N 1 1 198.295 1.293 20 0 ADADMO C[C@H](C1CC1)N(C)c1cc(N)[nH+]cn1 87813127 574043135 /nfs/dbraw/zinc/04/31/35/574043135.db2.gz OREOMHSPCJZSGK-SSDOTTSWSA-N 1 1 192.266 1.294 20 0 ADADMO CNc1cc(NCCC2CC2)nc[nH+]1 87837008 574045246 /nfs/dbraw/zinc/04/52/46/574045246.db2.gz KNNGTXTZELMGJP-UHFFFAOYSA-N 1 1 192.266 1.730 20 0 ADADMO CNc1cc(NCCC2CC2)[nH+]cn1 87837008 574045247 /nfs/dbraw/zinc/04/52/47/574045247.db2.gz KNNGTXTZELMGJP-UHFFFAOYSA-N 1 1 192.266 1.730 20 0 ADADMO C[C@@H]1CN(c2cc[nH+]c(N)n2)C[C@H]1C 87838414 574045348 /nfs/dbraw/zinc/04/53/48/574045348.db2.gz GTKPCLMYVHXEMN-HTQZYQBOSA-N 1 1 192.266 1.151 20 0 ADADMO C[C@@H]1CN(c2cc(N)[nH+]cn2)C[C@H]1C 87838319 574045452 /nfs/dbraw/zinc/04/54/52/574045452.db2.gz DCJFZDIOXAAIKI-HTQZYQBOSA-N 1 1 192.266 1.151 20 0 ADADMO C[C@@H]1CN(c2cc(N)[nH+]cn2)C[C@@H]1C 87838315 574045503 /nfs/dbraw/zinc/04/55/03/574045503.db2.gz DCJFZDIOXAAIKI-OCAPTIKFSA-N 1 1 192.266 1.151 20 0 ADADMO C[C@H]1CN(c2cc(N)[nH+]cn2)C[C@@H]1C 87838317 574045782 /nfs/dbraw/zinc/04/57/82/574045782.db2.gz DCJFZDIOXAAIKI-YUMQZZPRSA-N 1 1 192.266 1.151 20 0 ADADMO C[C@H]1CN(c2cc[nH+]c(N)n2)C[C@@H]1C 87838413 574045848 /nfs/dbraw/zinc/04/58/48/574045848.db2.gz GTKPCLMYVHXEMN-YUMQZZPRSA-N 1 1 192.266 1.151 20 0 ADADMO C[C@@H]1CN(c2cc[nH+]c(N)n2)C[C@@H]1C 87838412 574045964 /nfs/dbraw/zinc/04/59/64/574045964.db2.gz GTKPCLMYVHXEMN-OCAPTIKFSA-N 1 1 192.266 1.151 20 0 ADADMO Nc1cc(NCCC2CC2)nc[nH+]1 87836978 574045990 /nfs/dbraw/zinc/04/59/90/574045990.db2.gz GGUYKQWRFYVRBM-UHFFFAOYSA-N 1 1 178.239 1.271 20 0 ADADMO Nc1cc(NCCC2CC2)[nH+]cn1 87836978 574045991 /nfs/dbraw/zinc/04/59/91/574045991.db2.gz GGUYKQWRFYVRBM-UHFFFAOYSA-N 1 1 178.239 1.271 20 0 ADADMO C[C@H]1CC[C@@H](C)[N@H+]1C[C@@H](C)O 4744156 486709077 /nfs/dbraw/zinc/70/90/77/486709077.db2.gz VBPHBXRCHYEDIU-HRDYMLBCSA-N 1 1 157.257 1.240 20 0 ADADMO CC(=O)N[C@@H]1CCC[N@H+]2CCCC[C@@H]12 14420479 486711153 /nfs/dbraw/zinc/71/11/53/486711153.db2.gz ZFOJLLQHJIXKHO-MNOVXSKESA-N 1 1 196.294 1.139 20 0 ADADMO CCC[N@@H+](C1CC1)C1COC1 17751947 486711619 /nfs/dbraw/zinc/71/16/19/486711619.db2.gz NBZPPQTVWJBKIK-UHFFFAOYSA-N 1 1 155.241 1.260 20 0 ADADMO C[C@H](O)C[N@H+]1[C@@H](C)CC[C@H]1C 17323649 486711651 /nfs/dbraw/zinc/71/16/51/486711651.db2.gz VBPHBXRCHYEDIU-YIZRAAEISA-N 1 1 157.257 1.240 20 0 ADADMO CCCC[N@@H+](C)[C@H](C)CN 19273587 486711994 /nfs/dbraw/zinc/71/19/94/486711994.db2.gz YZROPNNOMPNDGF-MRVPVSSYSA-N 1 1 144.262 1.066 20 0 ADADMO CCC(C)(C)[N@@H+](C)C[C@H](C)O 17703415 486711735 /nfs/dbraw/zinc/71/17/35/486711735.db2.gz AFYIMSYDDAJBHQ-QMMMGPOBSA-N 1 1 159.273 1.488 20 0 ADADMO CCCCN(C)[C@H](C)C[NH3+] 19273587 486711997 /nfs/dbraw/zinc/71/19/97/486711997.db2.gz YZROPNNOMPNDGF-MRVPVSSYSA-N 1 1 144.262 1.066 20 0 ADADMO CCC(C)(C)[N@@H+](C)C[C@@H](C)O 17703413 486712020 /nfs/dbraw/zinc/71/20/20/486712020.db2.gz AFYIMSYDDAJBHQ-MRVPVSSYSA-N 1 1 159.273 1.488 20 0 ADADMO CCCC[N@@H+](C)[C@@H](C)CN 19273585 486712046 /nfs/dbraw/zinc/71/20/46/486712046.db2.gz YZROPNNOMPNDGF-QMMMGPOBSA-N 1 1 144.262 1.066 20 0 ADADMO CCCCN(C)[C@@H](C)C[NH3+] 19273585 486712048 /nfs/dbraw/zinc/71/20/48/486712048.db2.gz YZROPNNOMPNDGF-QMMMGPOBSA-N 1 1 144.262 1.066 20 0 ADADMO CCCC[N@@H+](CC)C[C@H](C)N 19390691 486712276 /nfs/dbraw/zinc/71/22/76/486712276.db2.gz SHVPMJXHYJKJFK-VIFPVBQESA-N 1 1 158.289 1.456 20 0 ADADMO CCCCN(CC)C[C@H](C)[NH3+] 19390691 486712277 /nfs/dbraw/zinc/71/22/77/486712277.db2.gz SHVPMJXHYJKJFK-VIFPVBQESA-N 1 1 158.289 1.456 20 0 ADADMO CCCC[N@@H+](CC)C[C@@H](C)N 19390689 486712286 /nfs/dbraw/zinc/71/22/86/486712286.db2.gz SHVPMJXHYJKJFK-SECBINFHSA-N 1 1 158.289 1.456 20 0 ADADMO CCCCN(CC)C[C@@H](C)[NH3+] 19390689 486712289 /nfs/dbraw/zinc/71/22/89/486712289.db2.gz SHVPMJXHYJKJFK-SECBINFHSA-N 1 1 158.289 1.456 20 0 ADADMO CC(C)CC[N@H+]1CCCC[C@H]1CN 19843354 486712697 /nfs/dbraw/zinc/71/26/97/486712697.db2.gz GBAONKFLAFEOAX-NSHDSACASA-N 1 1 184.327 1.846 20 0 ADADMO CC(C)CCN1CCCC[C@H]1C[NH3+] 19843354 486712699 /nfs/dbraw/zinc/71/26/99/486712699.db2.gz GBAONKFLAFEOAX-NSHDSACASA-N 1 1 184.327 1.846 20 0 ADADMO CC(C)CC[N@H+]1CCCC[C@@H]1CN 19843353 486712793 /nfs/dbraw/zinc/71/27/93/486712793.db2.gz GBAONKFLAFEOAX-LLVKDONJSA-N 1 1 184.327 1.846 20 0 ADADMO CC(C)CCN1CCCC[C@@H]1C[NH3+] 19843353 486712797 /nfs/dbraw/zinc/71/27/97/486712797.db2.gz GBAONKFLAFEOAX-LLVKDONJSA-N 1 1 184.327 1.846 20 0 ADADMO CCCCC[N@H+]1CCCC[C@@H]1CN 19843333 486712923 /nfs/dbraw/zinc/71/29/23/486712923.db2.gz UHFNSWMEURPQDQ-LLVKDONJSA-N 1 1 184.327 1.990 20 0 ADADMO CCCCCN1CCCC[C@@H]1C[NH3+] 19843333 486712925 /nfs/dbraw/zinc/71/29/25/486712925.db2.gz UHFNSWMEURPQDQ-LLVKDONJSA-N 1 1 184.327 1.990 20 0 ADADMO CCCCC[N@H+]1CCC[C@@H]1CN 19843272 486712941 /nfs/dbraw/zinc/71/29/41/486712941.db2.gz ZZKVXHWYCZZSLZ-SNVBAGLBSA-N 1 1 170.300 1.600 20 0 ADADMO Cc1cccc(CN(C)CCC[NH3+])c1 19834710 486713282 /nfs/dbraw/zinc/71/32/82/486713282.db2.gz BHQDRZVQGGFFCF-UHFFFAOYSA-N 1 1 192.306 1.776 20 0 ADADMO CCCCC[N@H+]1CCCC[C@H]1CN 19843334 486713330 /nfs/dbraw/zinc/71/33/30/486713330.db2.gz UHFNSWMEURPQDQ-NSHDSACASA-N 1 1 184.327 1.990 20 0 ADADMO CCCCCN1CCCC[C@H]1C[NH3+] 19843334 486713333 /nfs/dbraw/zinc/71/33/33/486713333.db2.gz UHFNSWMEURPQDQ-NSHDSACASA-N 1 1 184.327 1.990 20 0 ADADMO CN(CCC[NH3+])Cc1cccc(F)c1 19834690 486713348 /nfs/dbraw/zinc/71/33/48/486713348.db2.gz HEGSYTQXVSXOJC-UHFFFAOYSA-N 1 1 196.269 1.606 20 0 ADADMO CCCC[N@H+]1CCC[C@@H]1CN 19843284 486713404 /nfs/dbraw/zinc/71/34/04/486713404.db2.gz VRKXUSCKISXSIH-SECBINFHSA-N 1 1 156.273 1.210 20 0 ADADMO CN(CCC[NH3+])Cc1ccc(F)cc1 19834708 486713465 /nfs/dbraw/zinc/71/34/65/486713465.db2.gz NAFPBKXVRLRNIT-UHFFFAOYSA-N 1 1 196.269 1.606 20 0 ADADMO C[C@H](CN)[N@H+](C)CCc1ccccc1 20226785 486714454 /nfs/dbraw/zinc/71/44/54/486714454.db2.gz MBDAXCBXRJGFOO-LLVKDONJSA-N 1 1 192.306 1.508 20 0 ADADMO C[C@H](CN)[N@@H+](C)CCc1ccccc1 20226785 486714459 /nfs/dbraw/zinc/71/44/59/486714459.db2.gz MBDAXCBXRJGFOO-LLVKDONJSA-N 1 1 192.306 1.508 20 0 ADADMO C[C@H](C[NH3+])N(C)CC1CCCCC1 20226783 486714534 /nfs/dbraw/zinc/71/45/34/486714534.db2.gz YQLVUVWQUWGICP-SNVBAGLBSA-N 1 1 184.327 1.846 20 0 ADADMO C[C@H](CN)[N@@H+](C)CC1CCCCC1 20226783 486714530 /nfs/dbraw/zinc/71/45/30/486714530.db2.gz YQLVUVWQUWGICP-SNVBAGLBSA-N 1 1 184.327 1.846 20 0 ADADMO CC[C@@H]1CC[C@@H](C)[N@@H+](CCCO)C1 32180013 486715382 /nfs/dbraw/zinc/71/53/82/486715382.db2.gz PDCROMYEHJTXHF-GHMZBOCLSA-N 1 1 185.311 1.879 20 0 ADADMO CC(C)c1[nH+]ccn1CCCCO 35649881 486716026 /nfs/dbraw/zinc/71/60/26/486716026.db2.gz FLPWLJLKHGQAAS-UHFFFAOYSA-N 1 1 182.267 1.779 20 0 ADADMO CC[C@@H](C)[N@@H+](CC)CCCO 35649825 486716368 /nfs/dbraw/zinc/71/63/68/486716368.db2.gz WNJIEMZHRPTAMY-SECBINFHSA-N 1 1 159.273 1.489 20 0 ADADMO CCC[N@@H+](CCCCO)C(C)C 35649839 486716443 /nfs/dbraw/zinc/71/64/43/486716443.db2.gz PQVZYHYEHZLSGW-UHFFFAOYSA-N 1 1 173.300 1.879 20 0 ADADMO CN(CCC[NH3+])Cc1cccs1 35717546 486716478 /nfs/dbraw/zinc/71/64/78/486716478.db2.gz XLNJCXHXGRNQQF-UHFFFAOYSA-N 1 1 184.308 1.529 20 0 ADADMO CCC[N@@H+](CCCO)C(C)C 35649837 486716538 /nfs/dbraw/zinc/71/65/38/486716538.db2.gz CPTSNPBTNBAAPD-UHFFFAOYSA-N 1 1 159.273 1.489 20 0 ADADMO CC[C@H](C)[N@@H+](CC)CCCO 35649826 486716562 /nfs/dbraw/zinc/71/65/62/486716562.db2.gz WNJIEMZHRPTAMY-VIFPVBQESA-N 1 1 159.273 1.489 20 0 ADADMO CC[C@@H](C)[N@@H+](CC)CCN 37112439 486718521 /nfs/dbraw/zinc/71/85/21/486718521.db2.gz AFCSNRCDTDMRGR-MRVPVSSYSA-N 1 1 144.262 1.066 20 0 ADADMO CC[C@@H](C)N(CC)CC[NH3+] 37112439 486718524 /nfs/dbraw/zinc/71/85/24/486718524.db2.gz AFCSNRCDTDMRGR-MRVPVSSYSA-N 1 1 144.262 1.066 20 0 ADADMO CC(C)[NH2+]Cc1nc(C(C)(C)C)no1 37396390 486718886 /nfs/dbraw/zinc/71/88/86/486718886.db2.gz LBIMMKNUNBOFHD-UHFFFAOYSA-N 1 1 197.282 1.865 20 0 ADADMO CC[C@H](C)[N@@H+](CC)CCN 37112440 486718978 /nfs/dbraw/zinc/71/89/78/486718978.db2.gz AFCSNRCDTDMRGR-QMMMGPOBSA-N 1 1 144.262 1.066 20 0 ADADMO CC[C@H](C)N(CC)CC[NH3+] 37112440 486718983 /nfs/dbraw/zinc/71/89/83/486718983.db2.gz 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CCC[N@@H+](C[C@H](O)CC)C(C)C 37693849 486720854 /nfs/dbraw/zinc/72/08/54/486720854.db2.gz ONKVQSITXDEWSJ-SNVBAGLBSA-N 1 1 173.300 1.878 20 0 ADADMO CC[C@@H](O)Cn1cc[nH+]c1C(C)C 37694203 486720858 /nfs/dbraw/zinc/72/08/58/486720858.db2.gz XJBBLQZJTAQLMU-SECBINFHSA-N 1 1 182.267 1.777 20 0 ADADMO CC[N@@H+](C[C@H](C)O)C1CCCC1 37693984 486720923 /nfs/dbraw/zinc/72/09/23/486720923.db2.gz KMMRIQDFSIJAPU-VIFPVBQESA-N 1 1 171.284 1.632 20 0 ADADMO CC[C@@H](C)[N@@H+](CC)C[C@@H](C)O 37693811 486720930 /nfs/dbraw/zinc/72/09/30/486720930.db2.gz ACVNLJUGBORWMS-RKDXNWHRSA-N 1 1 159.273 1.488 20 0 ADADMO CCC[N@@H+](C[C@@H](O)CC)C(C)C 37693850 486720951 /nfs/dbraw/zinc/72/09/51/486720951.db2.gz ONKVQSITXDEWSJ-JTQLQIEISA-N 1 1 173.300 1.878 20 0 ADADMO C[C@H](O)C[N@@H+](C)[C@@H](C)C1CC1 37694047 486720968 /nfs/dbraw/zinc/72/09/68/486720968.db2.gz QRJBJYLFXQRWQR-YUMQZZPRSA-N 1 1 157.257 1.098 20 0 ADADMO CC[N@@H+](C[C@@H](C)O)C1CCCC1 37693983 486720996 /nfs/dbraw/zinc/72/09/96/486720996.db2.gz 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/nfs/dbraw/zinc/72/64/24/486726424.db2.gz HQIDLYFURQNSOC-OPRDCNLKSA-N 1 1 193.294 1.886 20 0 ADADMO CC(C)C[N@@H+](C[C@@H](C)O)C1CC1 42559019 486726618 /nfs/dbraw/zinc/72/66/18/486726618.db2.gz NGLZIQRTDXNNKO-SECBINFHSA-N 1 1 171.284 1.488 20 0 ADADMO C[C@@H]1C[N@@H+](Cc2ncc[nH]2)[C@H](C)[C@H]1C 669575846 486726689 /nfs/dbraw/zinc/72/66/89/486726689.db2.gz GKEXNIKLFBHJOI-KXUCPTDWSA-N 1 1 193.294 1.886 20 0 ADADMO C[C@@H]1C[N@@H+](Cc2cn[nH]c2)[C@@H](C)[C@H]1C 669575956 486727046 /nfs/dbraw/zinc/72/70/46/486727046.db2.gz HQIDLYFURQNSOC-UTLUCORTSA-N 1 1 193.294 1.886 20 0 ADADMO C[C@@H]1C[N@@H+](Cc2ncc[nH]2)[C@H](C)[C@@H]1C 669575847 486727058 /nfs/dbraw/zinc/72/70/58/486727058.db2.gz GKEXNIKLFBHJOI-OPRDCNLKSA-N 1 1 193.294 1.886 20 0 ADADMO C[C@@H]1C[N@@H+](Cc2cn[nH]c2)[C@@H](C)[C@@H]1C 669575953 486727117 /nfs/dbraw/zinc/72/71/17/486727117.db2.gz HQIDLYFURQNSOC-BBBLOLIVSA-N 1 1 193.294 1.886 20 0 ADADMO C[C@@H]1C[N@@H+](Cc2ncc[nH]2)[C@@H](C)[C@@H]1C 669575845 486727154 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/nfs/dbraw/zinc/75/53/42/486755342.db2.gz JOJSQSZBJWFMPA-SNVBAGLBSA-N 1 1 194.278 1.548 20 0 ADADMO CCOCCC[N@@H+](C)C[C@H](C)OC 671737385 486755359 /nfs/dbraw/zinc/75/53/59/486755359.db2.gz QPXJUOUIDOQNSJ-JTQLQIEISA-N 1 1 189.299 1.380 20 0 ADADMO CC[N@H+]1CCCC[C@H]1CCC(=O)NC 671733979 486755717 /nfs/dbraw/zinc/75/57/17/486755717.db2.gz NQOBPHCBFZLTLF-JTQLQIEISA-N 1 1 198.310 1.387 20 0 ADADMO CO[C@H](C)C[N@@H+](C)Cc1ccccn1 671737367 486755741 /nfs/dbraw/zinc/75/57/41/486755741.db2.gz AYDVSHIIPMJBED-SNVBAGLBSA-N 1 1 194.278 1.548 20 0 ADADMO CO[C@@H](C)C[N@@H+](C)Cc1ccncc1 671737097 486755764 /nfs/dbraw/zinc/75/57/64/486755764.db2.gz JOJSQSZBJWFMPA-JTQLQIEISA-N 1 1 194.278 1.548 20 0 ADADMO COCCCC[N@@H+](C)C[C@@H](C)OC 671737130 486755776 /nfs/dbraw/zinc/75/57/76/486755776.db2.gz UMYSERLCBBBQHQ-SNVBAGLBSA-N 1 1 189.299 1.380 20 0 ADADMO COCCCC[N@@H+](C)C[C@H](C)OC 671737129 486755865 /nfs/dbraw/zinc/75/58/65/486755865.db2.gz UMYSERLCBBBQHQ-JTQLQIEISA-N 1 1 189.299 1.380 20 0 ADADMO CC(C)[N@@H+](C)CCNc1cnccn1 54128418 486755806 /nfs/dbraw/zinc/75/58/06/486755806.db2.gz GBTRFAGEYOBAPZ-UHFFFAOYSA-N 1 1 194.282 1.229 20 0 ADADMO CO[C@@H](C)C[N@@H+](C)Cc1cc(C)no1 671737076 486755909 /nfs/dbraw/zinc/75/59/09/486755909.db2.gz LKFSCSLGDGGWIM-VIFPVBQESA-N 1 1 198.266 1.450 20 0 ADADMO C[C@@H]1CC[C@@H](C[N@@H+](C)C2(CO)CC2)O1 671727597 486755933 /nfs/dbraw/zinc/75/59/33/486755933.db2.gz SYOLVHIIRSMOOP-ZJUUUORDSA-N 1 1 199.294 1.011 20 0 ADADMO CC[N@H+]1CCCC[C@@H]1CCC(=O)NC 671733980 486755954 /nfs/dbraw/zinc/75/59/54/486755954.db2.gz NQOBPHCBFZLTLF-SNVBAGLBSA-N 1 1 198.310 1.387 20 0 ADADMO CC(C)[N@@H+](C)CCNc1ccccn1 54128231 486755967 /nfs/dbraw/zinc/75/59/67/486755967.db2.gz XFBBMYFSSFHYGA-UHFFFAOYSA-N 1 1 193.294 1.834 20 0 ADADMO CCOCCC[N@@H+](C)C[C@@H](C)OC 671737386 486756343 /nfs/dbraw/zinc/75/63/43/486756343.db2.gz QPXJUOUIDOQNSJ-SNVBAGLBSA-N 1 1 189.299 1.380 20 0 ADADMO CCC(CC)C[N@@H+](C)CCN 54416905 486756344 /nfs/dbraw/zinc/75/63/44/486756344.db2.gz 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/nfs/dbraw/zinc/75/80/62/486758062.db2.gz MCOPPKKMGUSDEK-JTQLQIEISA-N 1 1 172.316 1.622 20 0 ADADMO CC[C@H](C)CNC[C@@H]1CCC[NH2+]1 54488683 486758111 /nfs/dbraw/zinc/75/81/11/486758111.db2.gz HYJOPEJSRBZAPY-UWVGGRQHSA-N 1 1 170.300 1.374 20 0 ADADMO CC[C@H](C)CNC[C@H]1CCC[NH2+]1 54488687 486758403 /nfs/dbraw/zinc/75/84/03/486758403.db2.gz HYJOPEJSRBZAPY-VHSXEESVSA-N 1 1 170.300 1.374 20 0 ADADMO CC[C@H](C)C[NH2+]CC1(N)CCCC1 54488857 486758481 /nfs/dbraw/zinc/75/84/81/486758481.db2.gz UPVWGAFEMIGHOY-JTQLQIEISA-N 1 1 184.327 1.894 20 0 ADADMO CC[C@@H](C)C[NH2+]C[C@H](N)C(C)C 54488732 486758615 /nfs/dbraw/zinc/75/86/15/486758615.db2.gz RMIGQOBJTZLETG-ZJUUUORDSA-N 1 1 172.316 1.605 20 0 ADADMO CC[C@H](C)C[NH2+]C[C@H](N)CC 54488772 486758633 /nfs/dbraw/zinc/75/86/33/486758633.db2.gz PBBMSRQSQRRABR-DTWKUNHWSA-N 1 1 158.289 1.359 20 0 ADADMO CC[C@@H](C)C[NH2+]CC1(N)CCCC1 54488855 486758912 /nfs/dbraw/zinc/75/89/12/486758912.db2.gz UPVWGAFEMIGHOY-SNVBAGLBSA-N 1 1 184.327 1.894 20 0 ADADMO CC[C@H](N)C[NH2+]C[C@H](C)CC 54488773 486759025 /nfs/dbraw/zinc/75/90/25/486759025.db2.gz PBBMSRQSQRRABR-BDAKNGLRSA-N 1 1 158.289 1.359 20 0 ADADMO CC[C@@H](C)C[NH2+]C[C@@H](N)C(C)C 54488735 486759073 /nfs/dbraw/zinc/75/90/73/486759073.db2.gz RMIGQOBJTZLETG-NXEZZACHSA-N 1 1 172.316 1.605 20 0 ADADMO CC[C@@H](C)C[NH2+]C[C@H](N)CC 54488769 486759088 /nfs/dbraw/zinc/75/90/88/486759088.db2.gz PBBMSRQSQRRABR-RKDXNWHRSA-N 1 1 158.289 1.359 20 0 ADADMO CC[C@H](C)C[NH2+]C[C@H](N)C(C)C 54488733 486759126 /nfs/dbraw/zinc/75/91/26/486759126.db2.gz RMIGQOBJTZLETG-UWVGGRQHSA-N 1 1 172.316 1.605 20 0 ADADMO CC[C@H](C)C[NH2+]C[C@@H](N)CC 54488776 486759177 /nfs/dbraw/zinc/75/91/77/486759177.db2.gz PBBMSRQSQRRABR-IUCAKERBSA-N 1 1 158.289 1.359 20 0 ADADMO C[C@H](CNCc1cncs1)[NH+](C)C 54788270 486759702 /nfs/dbraw/zinc/75/97/02/486759702.db2.gz CTKUUDXHWNICFK-MRVPVSSYSA-N 1 1 199.323 1.183 20 0 ADADMO CC[C@H](C)[C@@H](C)[NH2+]Cc1c[nH]cn1 54765203 486759827 /nfs/dbraw/zinc/75/98/27/486759827.db2.gz BWNSTRNHYUTZIB-DTWKUNHWSA-N 1 1 181.283 1.934 20 0 ADADMO CC[C@H](C)[C@H](C)[NH2+]Cc1c[nH]cn1 54765205 486759847 /nfs/dbraw/zinc/75/98/47/486759847.db2.gz BWNSTRNHYUTZIB-IUCAKERBSA-N 1 1 181.283 1.934 20 0 ADADMO CC[C@@H](C)[C@@H](C)[NH2+]Cc1c[nH]cn1 54765202 486760342 /nfs/dbraw/zinc/76/03/42/486760342.db2.gz BWNSTRNHYUTZIB-RKDXNWHRSA-N 1 1 181.283 1.934 20 0 ADADMO CC[C@@H](C)[C@H](C)[NH2+]Cc1c[nH]cn1 54765204 486760538 /nfs/dbraw/zinc/76/05/38/486760538.db2.gz BWNSTRNHYUTZIB-BDAKNGLRSA-N 1 1 181.283 1.934 20 0 ADADMO CC[C@@H](C(N)=O)[N@@H+](CC)CC(C)C 61678977 486762108 /nfs/dbraw/zinc/76/21/08/486762108.db2.gz UYJXSPYNLXZHBH-VIFPVBQESA-N 1 1 186.299 1.228 20 0 ADADMO C[N@@H+](CC1CCC1)C[C@@H]1CCC[C@@H]1O 61485202 486762124 /nfs/dbraw/zinc/76/21/24/486762124.db2.gz XQXKUWDOUTUUFB-RYUDHWBXSA-N 1 1 197.322 1.879 20 0 ADADMO CCCC[N@@H+](CC)[C@@H](CC)C(N)=O 61678899 486762532 /nfs/dbraw/zinc/76/25/32/486762532.db2.gz DSGFAOFVZTUJCF-VIFPVBQESA-N 1 1 186.299 1.372 20 0 ADADMO C[N@@H+](CC1CCC1)C[C@H]1CCC[C@@H]1O 61485204 486762566 /nfs/dbraw/zinc/76/25/66/486762566.db2.gz XQXKUWDOUTUUFB-NEPJUHHUSA-N 1 1 197.322 1.879 20 0 ADADMO CCCC[N@@H+](CC)[C@H](CC)C(N)=O 61678900 486762638 /nfs/dbraw/zinc/76/26/38/486762638.db2.gz DSGFAOFVZTUJCF-SECBINFHSA-N 1 1 186.299 1.372 20 0 ADADMO CCc1nc(N2CC[C@@H]2C)cc(C)[nH+]1 672188086 486762731 /nfs/dbraw/zinc/76/27/31/486762731.db2.gz NRPGVMCYJRBGQW-VIFPVBQESA-N 1 1 191.278 1.946 20 0 ADADMO CC[C@H](C(N)=O)[N@@H+](CC)CC(C)C 61678978 486762737 /nfs/dbraw/zinc/76/27/37/486762737.db2.gz UYJXSPYNLXZHBH-SECBINFHSA-N 1 1 186.299 1.228 20 0 ADADMO CCc1nc(N2CC[C@H]2C)cc(C)[nH+]1 672188085 486763119 /nfs/dbraw/zinc/76/31/19/486763119.db2.gz NRPGVMCYJRBGQW-SECBINFHSA-N 1 1 191.278 1.946 20 0 ADADMO C[C@@H](c1ccccc1F)[N@@H+](C)CCO 62016078 486763826 /nfs/dbraw/zinc/76/38/26/486763826.db2.gz TXJRAKAOBPFOAR-VIFPVBQESA-N 1 1 197.253 1.811 20 0 ADADMO CCC[N@H+]1CCC[C@H]1CNC(=O)CC 672321084 486763911 /nfs/dbraw/zinc/76/39/11/486763911.db2.gz KFIQDVRLHULGGW-JTQLQIEISA-N 1 1 198.310 1.387 20 0 ADADMO CCC[C@H](O)C[N@@H+](C)CCCOC 62034305 486764222 /nfs/dbraw/zinc/76/42/22/486764222.db2.gz NEEBQPVUMUEILG-JTQLQIEISA-N 1 1 189.299 1.116 20 0 ADADMO CCC[C@@H](O)C[N@@H+](C)CCCOC 62034306 486764331 /nfs/dbraw/zinc/76/43/31/486764331.db2.gz NEEBQPVUMUEILG-SNVBAGLBSA-N 1 1 189.299 1.116 20 0 ADADMO CO[C@H](C)CN(C)c1cc(C)cc[nH+]1 672337936 486764333 /nfs/dbraw/zinc/76/43/33/486764333.db2.gz UOQMYYZZFPEWOG-SNVBAGLBSA-N 1 1 194.278 1.861 20 0 ADADMO C[C@H](c1ccccc1F)[N@@H+](C)CCO 62016079 486764664 /nfs/dbraw/zinc/76/46/64/486764664.db2.gz TXJRAKAOBPFOAR-SECBINFHSA-N 1 1 197.253 1.811 20 0 ADADMO COCCC[N@@H+](C)CCC[C@@H](C)O 62034315 486764704 /nfs/dbraw/zinc/76/47/04/486764704.db2.gz BTAMYJOHQKNTFM-SNVBAGLBSA-N 1 1 189.299 1.116 20 0 ADADMO COCCC[N@@H+](C)CCC[C@H](C)O 62034314 486764784 /nfs/dbraw/zinc/76/47/84/486764784.db2.gz BTAMYJOHQKNTFM-JTQLQIEISA-N 1 1 189.299 1.116 20 0 ADADMO CO[C@@H](C)CN(C)c1cc(C)cc[nH+]1 672337935 486764829 /nfs/dbraw/zinc/76/48/29/486764829.db2.gz UOQMYYZZFPEWOG-JTQLQIEISA-N 1 1 194.278 1.861 20 0 ADADMO CO[C@@H](C)CN(C)c1cccc(C)[nH+]1 672338087 486765216 /nfs/dbraw/zinc/76/52/16/486765216.db2.gz YAMNJKLTBYEWNL-JTQLQIEISA-N 1 1 194.278 1.861 20 0 ADADMO CO[C@H](C)CN(C)c1cccc(C)[nH+]1 672338088 486765435 /nfs/dbraw/zinc/76/54/35/486765435.db2.gz YAMNJKLTBYEWNL-SNVBAGLBSA-N 1 1 194.278 1.861 20 0 ADADMO CCCC[N@@H+](C)Cc1nnc(CC)o1 673081755 486771827 /nfs/dbraw/zinc/77/18/27/486771827.db2.gz FPRGGTQTYWVANW-UHFFFAOYSA-N 1 1 197.282 1.864 20 0 ADADMO CCC[N@H+](CC)[C@H](C)c1nncn1C 672536500 486768010 /nfs/dbraw/zinc/76/80/10/486768010.db2.gz HYFTUXWXXXIKRV-SECBINFHSA-N 1 1 196.298 1.608 20 0 ADADMO CCC[N@@H+](CC)[C@H](C)c1nncn1C 672536500 486768014 /nfs/dbraw/zinc/76/80/14/486768014.db2.gz HYFTUXWXXXIKRV-SECBINFHSA-N 1 1 196.298 1.608 20 0 ADADMO C[N@@H+](CCOC1CCC1)[C@H]1CCOC1 672542968 486768058 /nfs/dbraw/zinc/76/80/58/486768058.db2.gz DVMFFCMHONPHML-JTQLQIEISA-N 1 1 199.294 1.276 20 0 ADADMO CCC[N@H+](CC)[C@@H](C)c1nncn1C 672536501 486768238 /nfs/dbraw/zinc/76/82/38/486768238.db2.gz HYFTUXWXXXIKRV-VIFPVBQESA-N 1 1 196.298 1.608 20 0 ADADMO CCC[N@@H+](CC)[C@@H](C)c1nncn1C 672536501 486768240 /nfs/dbraw/zinc/76/82/40/486768240.db2.gz HYFTUXWXXXIKRV-VIFPVBQESA-N 1 1 196.298 1.608 20 0 ADADMO CC(C)C[N@H+](C)[C@H](C)c1nncn1C 672536529 486768248 /nfs/dbraw/zinc/76/82/48/486768248.db2.gz QJJLIUUVSHZMHA-SECBINFHSA-N 1 1 196.298 1.464 20 0 ADADMO CC(C)C[N@@H+](C)[C@H](C)c1nncn1C 672536529 486768253 /nfs/dbraw/zinc/76/82/53/486768253.db2.gz QJJLIUUVSHZMHA-SECBINFHSA-N 1 1 196.298 1.464 20 0 ADADMO CCCC[N@H+](C)[C@@H](C)c1nncn1C 672535292 486768261 /nfs/dbraw/zinc/76/82/61/486768261.db2.gz ISKRPELAXBUJQU-VIFPVBQESA-N 1 1 196.298 1.608 20 0 ADADMO CCCC[N@@H+](C)[C@@H](C)c1nncn1C 672535292 486768264 /nfs/dbraw/zinc/76/82/64/486768264.db2.gz ISKRPELAXBUJQU-VIFPVBQESA-N 1 1 196.298 1.608 20 0 ADADMO CCC[N@@H+](C)Cc1cnccc1OC 672537142 486768301 /nfs/dbraw/zinc/76/83/01/486768301.db2.gz SRTCJUITYPFDCX-UHFFFAOYSA-N 1 1 194.278 1.932 20 0 ADADMO CC(C)C[N@H+](C)[C@@H](C)c1nncn1C 672536530 486768446 /nfs/dbraw/zinc/76/84/46/486768446.db2.gz QJJLIUUVSHZMHA-VIFPVBQESA-N 1 1 196.298 1.464 20 0 ADADMO CC(C)C[N@@H+](C)[C@@H](C)c1nncn1C 672536530 486768452 /nfs/dbraw/zinc/76/84/52/486768452.db2.gz QJJLIUUVSHZMHA-VIFPVBQESA-N 1 1 196.298 1.464 20 0 ADADMO C[N@@H+](CCOC1CCC1)[C@@H]1CCOC1 672542970 486768473 /nfs/dbraw/zinc/76/84/73/486768473.db2.gz DVMFFCMHONPHML-SNVBAGLBSA-N 1 1 199.294 1.276 20 0 ADADMO CCCC[N@H+](C)[C@H](C)c1nncn1C 672535291 486768426 /nfs/dbraw/zinc/76/84/26/486768426.db2.gz ISKRPELAXBUJQU-SECBINFHSA-N 1 1 196.298 1.608 20 0 ADADMO CCCC[N@@H+](C)[C@H](C)c1nncn1C 672535291 486768431 /nfs/dbraw/zinc/76/84/31/486768431.db2.gz ISKRPELAXBUJQU-SECBINFHSA-N 1 1 196.298 1.608 20 0 ADADMO O[C@H]1CCC[N@@H+](CCOC2CCC2)C1 672535492 486768608 /nfs/dbraw/zinc/76/86/08/486768608.db2.gz WGZFGMVXNZYHEO-JTQLQIEISA-N 1 1 199.294 1.012 20 0 ADADMO C1CC(OCC[N@H+]2CCCOCC2)C1 672537066 486768632 /nfs/dbraw/zinc/76/86/32/486768632.db2.gz GCHFVDRWKUJBSH-UHFFFAOYSA-N 1 1 199.294 1.278 20 0 ADADMO OC[C@@H]1CCC[N@H+]1CCOC1CCC1 672540652 486768698 /nfs/dbraw/zinc/76/86/98/486768698.db2.gz RJLQMEUSFPKEBE-JTQLQIEISA-N 1 1 199.294 1.012 20 0 ADADMO OC[C@H]1CCC[N@H+]1CCOC1CCC1 672536533 486768766 /nfs/dbraw/zinc/76/87/66/486768766.db2.gz RJLQMEUSFPKEBE-SNVBAGLBSA-N 1 1 199.294 1.012 20 0 ADADMO OCC[N@@H+](CCOC1CCC1)C1CC1 672535919 486768854 /nfs/dbraw/zinc/76/88/54/486768854.db2.gz GKTGRFSNMYKSDM-UHFFFAOYSA-N 1 1 199.294 1.012 20 0 ADADMO C[C@@H]1C[C@@H](O)C[N@H+]1CCOC1CCC1 672552018 486769285 /nfs/dbraw/zinc/76/92/85/486769285.db2.gz MRNUNRUYJFVCJF-NXEZZACHSA-N 1 1 199.294 1.011 20 0 ADADMO CC[N@H+]1CCC[C@@H](CCNC(C)=O)C1 672576280 486769304 /nfs/dbraw/zinc/76/93/04/486769304.db2.gz FQKYTJOGKMLEFX-NSHDSACASA-N 1 1 198.310 1.245 20 0 ADADMO CC[C@H](C)[N@@H+](CCO)Cc1cnc[nH]1 672568680 486769452 /nfs/dbraw/zinc/76/94/52/486769452.db2.gz YLWCBXPZBYELHK-VIFPVBQESA-N 1 1 197.282 1.003 20 0 ADADMO CC[C@H](C)[N@H+](CCO)Cc1c[nH]cn1 672568680 486769458 /nfs/dbraw/zinc/76/94/58/486769458.db2.gz YLWCBXPZBYELHK-VIFPVBQESA-N 1 1 197.282 1.003 20 0 ADADMO CC[C@H](C)[N@@H+](CCO)Cc1c[nH]cn1 672568680 486769463 /nfs/dbraw/zinc/76/94/63/486769463.db2.gz YLWCBXPZBYELHK-VIFPVBQESA-N 1 1 197.282 1.003 20 0 ADADMO C[C@@]1(O)CC[N@@H+](CCOC2CCC2)C1 672545072 486769520 /nfs/dbraw/zinc/76/95/20/486769520.db2.gz HNVYCVYVIRFRFQ-LLVKDONJSA-N 1 1 199.294 1.012 20 0 ADADMO C[C@H](C[NH3+])CNCc1ccsc1 63147357 486769763 /nfs/dbraw/zinc/76/97/63/486769763.db2.gz UWPOEELDCUDPIW-MRVPVSSYSA-N 1 1 184.308 1.433 20 0 ADADMO CC[C@H](C)[N@H+](CCO)Cc1ccon1 672568765 486769798 /nfs/dbraw/zinc/76/97/98/486769798.db2.gz GHERHLKEZZYBTQ-VIFPVBQESA-N 1 1 198.266 1.267 20 0 ADADMO CC[C@H](C)[N@@H+](CCO)Cc1ccon1 672568765 486769800 /nfs/dbraw/zinc/76/98/00/486769800.db2.gz GHERHLKEZZYBTQ-VIFPVBQESA-N 1 1 198.266 1.267 20 0 ADADMO C[C@@H]1COCC[N@@H+]1CCOC1CCC1 672555034 486769838 /nfs/dbraw/zinc/76/98/38/486769838.db2.gz MMKHOQGHBMLQOC-SNVBAGLBSA-N 1 1 199.294 1.276 20 0 ADADMO C[C@@H]1COCC[N@H+]1CCOC1CCC1 672555034 486769840 /nfs/dbraw/zinc/76/98/40/486769840.db2.gz MMKHOQGHBMLQOC-SNVBAGLBSA-N 1 1 199.294 1.276 20 0 ADADMO C[C@H]1C[C@H](O)C[N@H+]1CCOC1CCC1 672552019 486769853 /nfs/dbraw/zinc/76/98/53/486769853.db2.gz MRNUNRUYJFVCJF-UWVGGRQHSA-N 1 1 199.294 1.011 20 0 ADADMO C[C@@H](C[NH3+])CNCc1ccsc1 63147355 486769874 /nfs/dbraw/zinc/76/98/74/486769874.db2.gz UWPOEELDCUDPIW-QMMMGPOBSA-N 1 1 184.308 1.433 20 0 ADADMO C[N@@H+](CCOC1CCC1)C1(CO)CC1 672558233 486769890 /nfs/dbraw/zinc/76/98/90/486769890.db2.gz VEHUFKBSJOCJNX-UHFFFAOYSA-N 1 1 199.294 1.012 20 0 ADADMO CC[N@H+]1CCC[C@H](CCNC(C)=O)C1 672576279 486769996 /nfs/dbraw/zinc/76/99/96/486769996.db2.gz FQKYTJOGKMLEFX-LLVKDONJSA-N 1 1 198.310 1.245 20 0 ADADMO CC[C@@H](C)[N@H+](CCO)Cc1ccon1 672568764 486770006 /nfs/dbraw/zinc/77/00/06/486770006.db2.gz GHERHLKEZZYBTQ-SECBINFHSA-N 1 1 198.266 1.267 20 0 ADADMO CC[C@@H](C)[N@@H+](CCO)Cc1ccon1 672568764 486770011 /nfs/dbraw/zinc/77/00/11/486770011.db2.gz GHERHLKEZZYBTQ-SECBINFHSA-N 1 1 198.266 1.267 20 0 ADADMO C[C@H]1C[C@@H](O)C[N@H+]1CCOC1CCC1 672552020 486770024 /nfs/dbraw/zinc/77/00/24/486770024.db2.gz MRNUNRUYJFVCJF-VHSXEESVSA-N 1 1 199.294 1.011 20 0 ADADMO CC[C@@H](C)[N@@H+](CCO)Cc1cnc[nH]1 672568679 486770125 /nfs/dbraw/zinc/77/01/25/486770125.db2.gz YLWCBXPZBYELHK-SECBINFHSA-N 1 1 197.282 1.003 20 0 ADADMO CC[C@@H](C)[N@H+](CCO)Cc1c[nH]cn1 672568679 486770130 /nfs/dbraw/zinc/77/01/30/486770130.db2.gz YLWCBXPZBYELHK-SECBINFHSA-N 1 1 197.282 1.003 20 0 ADADMO CC[C@@H](C)[N@@H+](CCO)Cc1c[nH]cn1 672568679 486770134 /nfs/dbraw/zinc/77/01/34/486770134.db2.gz YLWCBXPZBYELHK-SECBINFHSA-N 1 1 197.282 1.003 20 0 ADADMO C[C@@H]1C[C@H](O)C[N@H+]1CCOC1CCC1 672552021 486770163 /nfs/dbraw/zinc/77/01/63/486770163.db2.gz MRNUNRUYJFVCJF-ZJUUUORDSA-N 1 1 199.294 1.011 20 0 ADADMO C[N@@H+](CCOC1CCC1)C1CC(O)C1 672553771 486770266 /nfs/dbraw/zinc/77/02/66/486770266.db2.gz DHMQQUPDHLLLLJ-UHFFFAOYSA-N 1 1 199.294 1.011 20 0 ADADMO C[C@]1(O)CC[N@@H+](CCOC2CCC2)C1 672545073 486770283 /nfs/dbraw/zinc/77/02/83/486770283.db2.gz HNVYCVYVIRFRFQ-NSHDSACASA-N 1 1 199.294 1.012 20 0 ADADMO CO[C@H]1CC[N@@H+](CCOC2CCC2)C1 672545162 486770356 /nfs/dbraw/zinc/77/03/56/486770356.db2.gz RHKHLJREZGVMML-NSHDSACASA-N 1 1 199.294 1.276 20 0 ADADMO CC[C@H](C)[N@@H+](CC)C[C@H](O)COC 68891018 486770446 /nfs/dbraw/zinc/77/04/46/486770446.db2.gz PVOCTNLMSUYKCT-UWVGGRQHSA-N 1 1 189.299 1.114 20 0 ADADMO CC[C@@H](C)[N@@H+](C)C[C@H](O)C1CC1 68908299 486770469 /nfs/dbraw/zinc/77/04/69/486770469.db2.gz HJUIRNXKYBMSID-SCZZXKLOSA-N 1 1 171.284 1.488 20 0 ADADMO CC(C)[N@@H+](C)C[C@@H](O)C1CC1 68908082 486770477 /nfs/dbraw/zinc/77/04/77/486770477.db2.gz OZLLOWXXVVOOGV-SECBINFHSA-N 1 1 157.257 1.098 20 0 ADADMO COCCC[NH2+]CCNC(C)(C)C 66184194 486770507 /nfs/dbraw/zinc/77/05/07/486770507.db2.gz GVRWQJQRZXWYBS-UHFFFAOYSA-N 1 1 188.315 1.001 20 0 ADADMO CC[C@@H](C)[N@@H+](CC)C[C@H](O)COC 68891017 486770622 /nfs/dbraw/zinc/77/06/22/486770622.db2.gz PVOCTNLMSUYKCT-ZJUUUORDSA-N 1 1 189.299 1.114 20 0 ADADMO CC(C)[N@@H+](C)C[C@H](O)C1CC1 68908076 486770799 /nfs/dbraw/zinc/77/07/99/486770799.db2.gz OZLLOWXXVVOOGV-VIFPVBQESA-N 1 1 157.257 1.098 20 0 ADADMO CCCC[N@@H+](C)C[C@@H](O)C1CC1 68908161 486770879 /nfs/dbraw/zinc/77/08/79/486770879.db2.gz CDDYIQLGHBBTAI-SNVBAGLBSA-N 1 1 171.284 1.489 20 0 ADADMO CC[C@H](C)[N@@H+](C)C[C@H](O)C1CC1 68908304 486770968 /nfs/dbraw/zinc/77/09/68/486770968.db2.gz HJUIRNXKYBMSID-WPRPVWTQSA-N 1 1 171.284 1.488 20 0 ADADMO CCCC[N@@H+](C)C[C@H](O)C1CC1 68908157 486771084 /nfs/dbraw/zinc/77/10/84/486771084.db2.gz CDDYIQLGHBBTAI-JTQLQIEISA-N 1 1 171.284 1.489 20 0 ADADMO C[C@@H]1C[C@H]1C[N@@H+](C)C[C@H](O)C1CC1 68909695 486771446 /nfs/dbraw/zinc/77/14/46/486771446.db2.gz ZAKLZKZWXUBYRB-MIMYLULJSA-N 1 1 183.295 1.345 20 0 ADADMO C[C@@H]1C[C@@H]1C[N@@H+](C)C[C@H](O)C1CC1 68909686 486771533 /nfs/dbraw/zinc/77/15/33/486771533.db2.gz ZAKLZKZWXUBYRB-IEBDPFPHSA-N 1 1 183.295 1.345 20 0 ADADMO CC[N@H+](CC1CC1)C[C@H](C)O 68947704 486771557 /nfs/dbraw/zinc/77/15/57/486771557.db2.gz WYQKLFVSFZCMQK-QMMMGPOBSA-N 1 1 157.257 1.099 20 0 ADADMO CC[N@@H+](CCC[C@H](C)O)CC1CC1 68947872 486771597 /nfs/dbraw/zinc/77/15/97/486771597.db2.gz VOPKFWOKBPQJFK-JTQLQIEISA-N 1 1 185.311 1.879 20 0 ADADMO CCCCC[N@@H+](C)C[C@H](O)C1CC1 68908434 486771611 /nfs/dbraw/zinc/77/16/11/486771611.db2.gz QUQGADDHEBLMHP-NSHDSACASA-N 1 1 185.311 1.879 20 0 ADADMO C[N@@H+](C[C@@H](O)C1CC1)C1CCCC1 68908383 486771618 /nfs/dbraw/zinc/77/16/18/486771618.db2.gz YYPUVFUADNUPEA-LLVKDONJSA-N 1 1 183.295 1.632 20 0 ADADMO CC[C@@H](C)C[N@@H+](C)C[C@H](O)C1CC1 68908428 486771626 /nfs/dbraw/zinc/77/16/26/486771626.db2.gz CGOXLCLNTUOYTP-KOLCDFICSA-N 1 1 185.311 1.735 20 0 ADADMO CC[N@@H+](CCC[C@@H](C)O)CC1CC1 68947870 486771636 /nfs/dbraw/zinc/77/16/36/486771636.db2.gz VOPKFWOKBPQJFK-SNVBAGLBSA-N 1 1 185.311 1.879 20 0 ADADMO CCOC[C@@H](O)C[N@@H+](C)[C@H](C)CC 68950196 486771670 /nfs/dbraw/zinc/77/16/70/486771670.db2.gz LWGPMRYPFAWTEO-ZJUUUORDSA-N 1 1 189.299 1.114 20 0 ADADMO CC(C)CC[N@@H+](C)C[C@H](O)C1CC1 68909050 486771691 /nfs/dbraw/zinc/77/16/91/486771691.db2.gz PZKVBXXWVFIOAK-NSHDSACASA-N 1 1 185.311 1.735 20 0 ADADMO C[N@@H+](C[C@H](O)C1CC1)C1CCCC1 68908379 486771814 /nfs/dbraw/zinc/77/18/14/486771814.db2.gz YYPUVFUADNUPEA-NSHDSACASA-N 1 1 183.295 1.632 20 0 ADADMO CCCC[N@H+](C)Cc1nnc(CC)o1 673081755 486771822 /nfs/dbraw/zinc/77/18/22/486771822.db2.gz FPRGGTQTYWVANW-UHFFFAOYSA-N 1 1 197.282 1.864 20 0 ADADMO CCCCC[N@@H+](C)C[C@@H](O)C1CC1 68908438 486771841 /nfs/dbraw/zinc/77/18/41/486771841.db2.gz QUQGADDHEBLMHP-LLVKDONJSA-N 1 1 185.311 1.879 20 0 ADADMO CC[C@H](C)C[N@@H+](C)C[C@H](O)C1CC1 68908431 486771851 /nfs/dbraw/zinc/77/18/51/486771851.db2.gz CGOXLCLNTUOYTP-ONGXEEELSA-N 1 1 185.311 1.735 20 0 ADADMO CC[N@H+](CC1CC1)C[C@@H](C)O 68947702 486772011 /nfs/dbraw/zinc/77/20/11/486772011.db2.gz WYQKLFVSFZCMQK-MRVPVSSYSA-N 1 1 157.257 1.099 20 0 ADADMO C[N@H+](CC1CCCC1)C[C@H](O)C1CC1 68909612 486772073 /nfs/dbraw/zinc/77/20/73/486772073.db2.gz NFBOYSLSYWRTNZ-LBPRGKRZSA-N 1 1 197.322 1.879 20 0 ADADMO CCOC[C@@H](O)C[N@@H+](C)[C@@H](C)CC 68950198 486772107 /nfs/dbraw/zinc/77/21/07/486772107.db2.gz LWGPMRYPFAWTEO-UWVGGRQHSA-N 1 1 189.299 1.114 20 0 ADADMO CC[N@@H+](CC1CC1)CC(C)(C)O 68947727 486772140 /nfs/dbraw/zinc/77/21/40/486772140.db2.gz VPWGRICJEAMMEV-UHFFFAOYSA-N 1 1 171.284 1.489 20 0 ADADMO CC(C)CC[N@@H+](C)C[C@@H](O)C1CC1 68909053 486772151 /nfs/dbraw/zinc/77/21/51/486772151.db2.gz PZKVBXXWVFIOAK-LLVKDONJSA-N 1 1 185.311 1.735 20 0 ADADMO C[N@H+](CC1CCCC1)C[C@@H](O)C1CC1 68909616 486772196 /nfs/dbraw/zinc/77/21/96/486772196.db2.gz NFBOYSLSYWRTNZ-GFCCVEGCSA-N 1 1 197.322 1.879 20 0 ADADMO CCOCC[N@@H+](C)C1CCCC1 673092778 486772496 /nfs/dbraw/zinc/77/24/96/486772496.db2.gz 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CCC[C@H](CC)N[C@@H]1CC[NH2+]C1 86729684 486886328 /nfs/dbraw/zinc/88/63/28/486886328.db2.gz OWBHUVLYJLORAE-VHSXEESVSA-N 1 1 170.300 1.517 20 0 ADADMO CCC[C@H](CC)N[C@H]1CC[NH2+]C1 86729686 486886340 /nfs/dbraw/zinc/88/63/40/486886340.db2.gz OWBHUVLYJLORAE-UWVGGRQHSA-N 1 1 170.300 1.517 20 0 ADADMO CC[C@@H](C)[NH2+]CC(N)(CC)CC 86814449 486886883 /nfs/dbraw/zinc/88/68/83/486886883.db2.gz ZTQBKBMAHNJBNT-SECBINFHSA-N 1 1 172.316 1.892 20 0 ADADMO C[C@H]1C[C@@H](N[C@@H]2CC[NH2+]C2)CC[C@H]1C 86730479 486886912 /nfs/dbraw/zinc/88/69/12/486886912.db2.gz OIVCMDPJYMFWID-NOOOWODRSA-N 1 1 196.338 1.763 20 0 ADADMO COCCC[N@@H+](C)[C@H]1CCSC1 677476431 486886930 /nfs/dbraw/zinc/88/69/30/486886930.db2.gz ZHSZSVDFLJQQBP-VIFPVBQESA-N 1 1 189.324 1.460 20 0 ADADMO Cc1cscc1-c1nc(C[NH3+])no1 86816843 486886961 /nfs/dbraw/zinc/88/69/61/486886961.db2.gz GULSJKRCFNJHAH-UHFFFAOYSA-N 1 1 195.247 1.565 20 0 ADADMO C[C@@H]1CC(N[C@@H]2CC[NH2+]C2)C[C@@H](C)C1 86730474 486887007 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183.295 1.489 20 0 ADADMO CCC[N@@H+](C)CCN1CCCC1 677681642 486892377 /nfs/dbraw/zinc/89/23/77/486892377.db2.gz JYFTVUUFUKMLAS-UHFFFAOYSA-N 1 1 170.300 1.424 20 0 ADADMO CCCN(C)CC[NH+]1CCCC1 677681642 486892381 /nfs/dbraw/zinc/89/23/81/486892381.db2.gz JYFTVUUFUKMLAS-UHFFFAOYSA-N 1 1 170.300 1.424 20 0 ADADMO C[N@@H+](CC1CC1)C1CCC(CO)CC1 677695644 486892499 /nfs/dbraw/zinc/89/24/99/486892499.db2.gz MWTBNKWKOGVYGQ-UHFFFAOYSA-N 1 1 197.322 1.879 20 0 ADADMO C[C@H](O)[C@H]1CCC[N@@H+](CCC2CC2)C1 677697704 486892528 /nfs/dbraw/zinc/89/25/28/486892528.db2.gz ANIPZSVAEFWWNF-JQWIXIFHSA-N 1 1 197.322 1.879 20 0 ADADMO C[N@@H+](CCN1CCCC1)C1CCCC1 677676907 486892665 /nfs/dbraw/zinc/89/26/65/486892665.db2.gz PPSKRVUBGPXIGZ-UHFFFAOYSA-N 1 1 196.338 1.957 20 0 ADADMO CN(CC[NH+]1CCCC1)C1CCCC1 677676907 486892669 /nfs/dbraw/zinc/89/26/69/486892669.db2.gz PPSKRVUBGPXIGZ-UHFFFAOYSA-N 1 1 196.338 1.957 20 0 ADADMO CC[C@@H](C)C[N@@H+](C)CCN(C)C 677685552 486892692 /nfs/dbraw/zinc/89/26/92/486892692.db2.gz 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/nfs/dbraw/zinc/89/30/04/486893004.db2.gz SDFUZACKNQMDSS-UHFFFAOYSA-N 1 1 196.338 1.814 20 0 ADADMO CN(CCC1CC1)CC[NH+]1CCCC1 677685826 486893011 /nfs/dbraw/zinc/89/30/11/486893011.db2.gz SDFUZACKNQMDSS-UHFFFAOYSA-N 1 1 196.338 1.814 20 0 ADADMO C[N@@H+](CCN1CCCC1)CC1CCC1 677684980 486893060 /nfs/dbraw/zinc/89/30/60/486893060.db2.gz ONTBELLAZPMFAV-UHFFFAOYSA-N 1 1 196.338 1.814 20 0 ADADMO CN(CC[NH+]1CCCC1)CC1CCC1 677684980 486893064 /nfs/dbraw/zinc/89/30/64/486893064.db2.gz ONTBELLAZPMFAV-UHFFFAOYSA-N 1 1 196.338 1.814 20 0 ADADMO C[C@@H](O)[C@H]1CCC[N@@H+](CC2CC2)C1 677695537 486893147 /nfs/dbraw/zinc/89/31/47/486893147.db2.gz WUBZXOMPXNSPAU-KOLCDFICSA-N 1 1 183.295 1.489 20 0 ADADMO C[C@H](O)[C@@H]1CCC[N@@H+](CC2CC2)C1 677695536 486893160 /nfs/dbraw/zinc/89/31/60/486893160.db2.gz WUBZXOMPXNSPAU-GXSJLCMTSA-N 1 1 183.295 1.489 20 0 ADADMO CCC1(c2nc(C[NH3+])no2)CCCC1 87318851 486893264 /nfs/dbraw/zinc/89/32/64/486893264.db2.gz ICBDGKPTPSRNHQ-UHFFFAOYSA-N 1 1 195.266 1.750 20 0 ADADMO CC(C)CC[N@H+]1CCNC(=O)C[C@H]1C 677715752 486893586 /nfs/dbraw/zinc/89/35/86/486893586.db2.gz VRJQDAPQHRNEOF-SNVBAGLBSA-N 1 1 198.310 1.243 20 0 ADADMO CCCCC[N@H+]1CCNC(=O)C[C@H]1C 677714415 486893610 /nfs/dbraw/zinc/89/36/10/486893610.db2.gz ANPIJDVIMWNMGL-SNVBAGLBSA-N 1 1 198.310 1.387 20 0 ADADMO C[C@@H](O)[C@H]1CCC[N@@H+](CC2CCC2)C1 677699044 486893640 /nfs/dbraw/zinc/89/36/40/486893640.db2.gz XQAUVIYUYCXVLW-PWSUYJOCSA-N 1 1 197.322 1.879 20 0 ADADMO CC1(c2nc(C[NH3+])no2)CCCC1 87318848 486893641 /nfs/dbraw/zinc/89/36/41/486893641.db2.gz NKKYTVIRQKMBGV-UHFFFAOYSA-N 1 1 181.239 1.360 20 0 ADADMO CCCCC[N@H+]1CCNC(=O)C[C@@H]1C 677714414 486893655 /nfs/dbraw/zinc/89/36/55/486893655.db2.gz ANPIJDVIMWNMGL-JTQLQIEISA-N 1 1 198.310 1.387 20 0 ADADMO CC[C@@H](C)C[N@H+]1CCNC(=O)C[C@H]1C 677715293 486893695 /nfs/dbraw/zinc/89/36/95/486893695.db2.gz JKVNOUPTPBICLJ-NXEZZACHSA-N 1 1 198.310 1.243 20 0 ADADMO C[C@@H](O)[C@@H]1CCC[N@@H+](CC2CCC2)C1 677699045 486893719 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COCC1([N@@H+](C)C[C@@H]2CCOC2)CC1 677727663 486894966 /nfs/dbraw/zinc/89/49/66/486894966.db2.gz FPJCCORKYIMIPJ-JTQLQIEISA-N 1 1 199.294 1.134 20 0 ADADMO COCC1([N@@H+](C)CC2CC2)CC1 677726897 486895018 /nfs/dbraw/zinc/89/50/18/486895018.db2.gz OKELQOAIAKEWPJ-UHFFFAOYSA-N 1 1 169.268 1.507 20 0 ADADMO CCC[N@@H+](C)C1(COC)CC1 677728107 486895041 /nfs/dbraw/zinc/89/50/41/486895041.db2.gz ASVOGXHCRFPBDS-UHFFFAOYSA-N 1 1 157.257 1.507 20 0 ADADMO CCOCC[N@@H+](C)C1(COC)CC1 677726242 486895124 /nfs/dbraw/zinc/89/51/24/486895124.db2.gz MBYXVIBXIFQILZ-UHFFFAOYSA-N 1 1 187.283 1.134 20 0 ADADMO COCC1([N@@H+](C)CC(C)C)CC1 677725273 486895139 /nfs/dbraw/zinc/89/51/39/486895139.db2.gz DQEZLWXTEASLDL-UHFFFAOYSA-N 1 1 171.284 1.753 20 0 ADADMO CC[N@@H+](C)C1(COC)CC1 677727460 486895259 /nfs/dbraw/zinc/89/52/59/486895259.db2.gz ZXUQSZLEVLLJKT-UHFFFAOYSA-N 1 1 143.230 1.117 20 0 ADADMO COCC1([N@@H+](C)C[C@@H]2CCCO2)CC1 677728907 486895703 /nfs/dbraw/zinc/89/57/03/486895703.db2.gz 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685462655 487145383 /nfs/dbraw/zinc/14/53/83/487145383.db2.gz RUXAQFZJWDXWPM-QWRGUYRKSA-N 1 1 196.338 1.668 20 0 ADADMO C[C@H]1C[C@H]1CN(C)CC[N@H+](C)C1CC1 685462655 487145389 /nfs/dbraw/zinc/14/53/89/487145389.db2.gz RUXAQFZJWDXWPM-QWRGUYRKSA-N 1 1 196.338 1.668 20 0 ADADMO C[C@H]1C[C@H]1CN(C)CC[N@@H+](C)C1CC1 685462655 487145394 /nfs/dbraw/zinc/14/53/94/487145394.db2.gz RUXAQFZJWDXWPM-QWRGUYRKSA-N 1 1 196.338 1.668 20 0 ADADMO C[C@@H]1C[C@H]1C[N@@H+](C)CCN(C)C1CC1 685462654 487145529 /nfs/dbraw/zinc/14/55/29/487145529.db2.gz RUXAQFZJWDXWPM-MNOVXSKESA-N 1 1 196.338 1.668 20 0 ADADMO C[C@@H]1C[C@H]1CN(C)CC[N@H+](C)C1CC1 685462654 487145532 /nfs/dbraw/zinc/14/55/32/487145532.db2.gz RUXAQFZJWDXWPM-MNOVXSKESA-N 1 1 196.338 1.668 20 0 ADADMO C[C@@H]1C[C@H]1CN(C)CC[N@@H+](C)C1CC1 685462654 487145534 /nfs/dbraw/zinc/14/55/34/487145534.db2.gz RUXAQFZJWDXWPM-MNOVXSKESA-N 1 1 196.338 1.668 20 0 ADADMO CC[N@H+](CCCN(C)C)C[C@H]1C[C@H]1C 685459966 487145593 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RUXAQFZJWDXWPM-GHMZBOCLSA-N 1 1 196.338 1.668 20 0 ADADMO C[C@@H]1C[C@@H]1CN(C)CC[N@@H+](C)C1CC1 685462653 487145733 /nfs/dbraw/zinc/14/57/33/487145733.db2.gz RUXAQFZJWDXWPM-GHMZBOCLSA-N 1 1 196.338 1.668 20 0 ADADMO C[C@@H]1C[C@@H]1C[N@@H+](C)CCN1CCCC1 685456217 487145752 /nfs/dbraw/zinc/14/57/52/487145752.db2.gz NLCORAVRCWIIGO-VXGBXAGGSA-N 1 1 196.338 1.670 20 0 ADADMO C[C@@H]1C[C@@H]1CN(C)CC[NH+]1CCCC1 685456217 487145753 /nfs/dbraw/zinc/14/57/53/487145753.db2.gz NLCORAVRCWIIGO-VXGBXAGGSA-N 1 1 196.338 1.670 20 0 ADADMO C[C@H]1C[C@@H]1C[N@@H+](C)CCN(C)C1CC1 685462656 487145841 /nfs/dbraw/zinc/14/58/41/487145841.db2.gz RUXAQFZJWDXWPM-WDEREUQCSA-N 1 1 196.338 1.668 20 0 ADADMO C[C@H]1C[C@@H]1CN(C)CC[N@H+](C)C1CC1 685462656 487145843 /nfs/dbraw/zinc/14/58/43/487145843.db2.gz RUXAQFZJWDXWPM-WDEREUQCSA-N 1 1 196.338 1.668 20 0 ADADMO C[C@H]1C[C@@H]1CN(C)CC[N@@H+](C)C1CC1 685462656 487145845 /nfs/dbraw/zinc/14/58/45/487145845.db2.gz RUXAQFZJWDXWPM-WDEREUQCSA-N 1 1 196.338 1.668 20 0 ADADMO CN(CC[N@@H+](C)CC1(C)CC1)C1CC1 685462665 487145927 /nfs/dbraw/zinc/14/59/27/487145927.db2.gz WGNIPYAZXHGQRN-UHFFFAOYSA-N 1 1 196.338 1.813 20 0 ADADMO CN(CC[N@H+](C)C1CC1)CC1(C)CC1 685462665 487145930 /nfs/dbraw/zinc/14/59/30/487145930.db2.gz WGNIPYAZXHGQRN-UHFFFAOYSA-N 1 1 196.338 1.813 20 0 ADADMO CN(CC[N@@H+](C)C1CC1)CC1(C)CC1 685462665 487145933 /nfs/dbraw/zinc/14/59/33/487145933.db2.gz WGNIPYAZXHGQRN-UHFFFAOYSA-N 1 1 196.338 1.813 20 0 ADADMO CC[N@H+](CCCN(C)C)C[C@H]1C[C@@H]1C 685459964 487145955 /nfs/dbraw/zinc/14/59/55/487145955.db2.gz ONINOHBFWDVXIB-NWDGAFQWSA-N 1 1 198.354 1.916 20 0 ADADMO CC[N@@H+](CCCN(C)C)C[C@H]1C[C@@H]1C 685459964 487145959 /nfs/dbraw/zinc/14/59/59/487145959.db2.gz ONINOHBFWDVXIB-NWDGAFQWSA-N 1 1 198.354 1.916 20 0 ADADMO CC[N@H+](CCCN(C)C)C[C@@H]1C[C@H]1C 685459963 487145978 /nfs/dbraw/zinc/14/59/78/487145978.db2.gz ONINOHBFWDVXIB-NEPJUHHUSA-N 1 1 198.354 1.916 20 0 ADADMO CC[N@@H+](CCCN(C)C)C[C@@H]1C[C@H]1C 685459963 487145981 /nfs/dbraw/zinc/14/59/81/487145981.db2.gz ONINOHBFWDVXIB-NEPJUHHUSA-N 1 1 198.354 1.916 20 0 ADADMO C[N@@H+](CCCO)Cc1ccc(O)cc1 300873135 487146419 /nfs/dbraw/zinc/14/64/19/487146419.db2.gz XSFXHJPAHZXCOA-UHFFFAOYSA-N 1 1 195.262 1.206 20 0 ADADMO Cc1nc(C)c(C[N@H+](C)C[C@H](C)O)o1 685564966 487146827 /nfs/dbraw/zinc/14/68/27/487146827.db2.gz GEYKZGRNHGZLHB-ZETCQYMHSA-N 1 1 198.266 1.104 20 0 ADADMO CC(C)C[C@@H](C)C[N@@H+](C)CCN 300975358 487147198 /nfs/dbraw/zinc/14/71/98/487147198.db2.gz SRNYBLICZGUPCR-SNVBAGLBSA-N 1 1 172.316 1.559 20 0 ADADMO CC(C)C[C@@H](C)CN(C)CC[NH3+] 300975358 487147203 /nfs/dbraw/zinc/14/72/03/487147203.db2.gz SRNYBLICZGUPCR-SNVBAGLBSA-N 1 1 172.316 1.559 20 0 ADADMO CC(C)C[C@H](C)C[N@@H+](C)CCN 300975356 487147400 /nfs/dbraw/zinc/14/74/00/487147400.db2.gz SRNYBLICZGUPCR-JTQLQIEISA-N 1 1 172.316 1.559 20 0 ADADMO CC(C)C[C@H](C)CN(C)CC[NH3+] 300975356 487147403 /nfs/dbraw/zinc/14/74/03/487147403.db2.gz SRNYBLICZGUPCR-JTQLQIEISA-N 1 1 172.316 1.559 20 0 ADADMO Cc1nc(C)c(C[N@@H+](C)CCCO)o1 685581131 487147591 /nfs/dbraw/zinc/14/75/91/487147591.db2.gz QVTWWPZMXRCSLR-UHFFFAOYSA-N 1 1 198.266 1.106 20 0 ADADMO C[N@@H+](CCOCCO)[C@@H]1C=CCCC1 301052324 487149067 /nfs/dbraw/zinc/14/90/67/487149067.db2.gz VYEMSWCBHUZVDW-LLVKDONJSA-N 1 1 199.294 1.036 20 0 ADADMO C[N@@H+](CCOCCO)[C@H]1C=CCCC1 301052325 487149133 /nfs/dbraw/zinc/14/91/33/487149133.db2.gz VYEMSWCBHUZVDW-NSHDSACASA-N 1 1 199.294 1.036 20 0 ADADMO CC1(C[N@@H+]2CCn3cncc3C2)CC1 685850119 487149798 /nfs/dbraw/zinc/14/97/98/487149798.db2.gz HOAWBHXYETZVGT-UHFFFAOYSA-N 1 1 191.278 1.499 20 0 ADADMO CC1(C[N@H+]2CCn3cncc3C2)CC1 685850119 487149800 /nfs/dbraw/zinc/14/98/00/487149800.db2.gz HOAWBHXYETZVGT-UHFFFAOYSA-N 1 1 191.278 1.499 20 0 ADADMO CC[N@H+](CCOC)Cc1n[nH]cc1C 685833593 487149898 /nfs/dbraw/zinc/14/98/98/487149898.db2.gz VPLKTHQPGBZPBW-UHFFFAOYSA-N 1 1 197.282 1.186 20 0 ADADMO CC[N@@H+](CCOC)Cc1n[nH]cc1C 685833593 487149899 /nfs/dbraw/zinc/14/98/99/487149899.db2.gz 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Cc1c[nH]nc1C[NH+]1CC(C(C)C)C1 685845617 487150692 /nfs/dbraw/zinc/15/06/92/487150692.db2.gz NNWMSNDKDGEYOW-UHFFFAOYSA-N 1 1 193.294 1.806 20 0 ADADMO Cc1cn[nH]c1C[NH+]1C2CCC1CC2 685833621 487150727 /nfs/dbraw/zinc/15/07/27/487150727.db2.gz FRLXQNBDYGCDBQ-UHFFFAOYSA-N 1 1 191.278 1.845 20 0 ADADMO Cc1c[nH]nc1C[N@H+](C)[C@@H](C)C1CC1 685833923 487150774 /nfs/dbraw/zinc/15/07/74/487150774.db2.gz JTLJWAVVPKGMOG-VIFPVBQESA-N 1 1 193.294 1.948 20 0 ADADMO Cc1cn[nH]c1C[N@@H+](C)[C@@H](C)C1CC1 685833923 487150777 /nfs/dbraw/zinc/15/07/77/487150777.db2.gz JTLJWAVVPKGMOG-VIFPVBQESA-N 1 1 193.294 1.948 20 0 ADADMO Cc1cn[nH]c1C[N@H+](C)[C@@H](C)C1CC1 685833923 487150782 /nfs/dbraw/zinc/15/07/82/487150782.db2.gz JTLJWAVVPKGMOG-VIFPVBQESA-N 1 1 193.294 1.948 20 0 ADADMO CC[C@H](O)C[N@H+]1CC(C)(C)[C@@H]1C1CC1 685911795 487151152 /nfs/dbraw/zinc/15/11/52/487151152.db2.gz GVJNGPLFKXMODA-QWRGUYRKSA-N 1 1 197.322 1.878 20 0 ADADMO CC[C@H](O)C[N@H+]1CC(C)(C)[C@H]1C1CC1 685911796 487151481 /nfs/dbraw/zinc/15/14/81/487151481.db2.gz GVJNGPLFKXMODA-WDEREUQCSA-N 1 1 197.322 1.878 20 0 ADADMO Cc1[nH+]ccn1Cc1csnn1 306366936 487154409 /nfs/dbraw/zinc/15/44/09/487154409.db2.gz HBWZUJIBOMXAHU-UHFFFAOYSA-N 1 1 180.236 1.091 20 0 ADADMO CC1(C[N@H+]2CC[C@](F)(CO)C2)CC1 306354202 487154598 /nfs/dbraw/zinc/15/45/98/487154598.db2.gz ITEDIOCMWDTOOK-SNVBAGLBSA-N 1 1 187.258 1.193 20 0 ADADMO CC1(C[N@H+]2CC[C@@](F)(CO)C2)CC1 306354200 487154639 /nfs/dbraw/zinc/15/46/39/487154639.db2.gz ITEDIOCMWDTOOK-JTQLQIEISA-N 1 1 187.258 1.193 20 0 ADADMO C[C@H](O)C[N@H+]1CC[C@H](C)C[C@H](C)C1 306433811 487155535 /nfs/dbraw/zinc/15/55/35/487155535.db2.gz XYYLQDMCQQULBU-DCAQKATOSA-N 1 1 185.311 1.735 20 0 ADADMO C[C@H](O)C[N@H+]1CC[C@H](C)C[C@@H](C)C1 306433810 487155549 /nfs/dbraw/zinc/15/55/49/487155549.db2.gz XYYLQDMCQQULBU-AXFHLTTASA-N 1 1 185.311 1.735 20 0 ADADMO CC1(C)C[C@@H]1[NH2+]Cc1cocn1 306423239 487155674 /nfs/dbraw/zinc/15/56/74/487155674.db2.gz BDWVCSOHDXLSQW-QMMMGPOBSA-N 1 1 166.224 1.563 20 0 ADADMO C[C@H](O)C[N@H+]1CC[C@@H](C)C[C@@H](C)C1 306433812 487155720 /nfs/dbraw/zinc/15/57/20/487155720.db2.gz XYYLQDMCQQULBU-MXWKQRLJSA-N 1 1 185.311 1.735 20 0 ADADMO C[C@H](O)C[N@H+]1CC[C@@H](C)C[C@H](C)C1 306433813 487155779 /nfs/dbraw/zinc/15/57/79/487155779.db2.gz XYYLQDMCQQULBU-VWYCJHECSA-N 1 1 185.311 1.735 20 0 ADADMO CC(C)[C@H](O)C[N@H+]1CC[C@@H](C)[C@@H]1C 306441760 487156307 /nfs/dbraw/zinc/15/63/07/487156307.db2.gz VBWDLZYTEDOYMV-OUAUKWLOSA-N 1 1 185.311 1.734 20 0 ADADMO CC(C)[C@H](O)C[N@H+]1CC[C@H](C)[C@@H]1C 306441757 487156410 /nfs/dbraw/zinc/15/64/10/487156410.db2.gz VBWDLZYTEDOYMV-GARJFASQSA-N 1 1 185.311 1.734 20 0 ADADMO CC(C)[C@H](O)C[N@H+]1CC[C@H](C)[C@H]1C 306441759 487156418 /nfs/dbraw/zinc/15/64/18/487156418.db2.gz VBWDLZYTEDOYMV-HBNTYKKESA-N 1 1 185.311 1.734 20 0 ADADMO CCc1nc(NC[C@H](C)O)cc(C)[nH+]1 306451848 487156516 /nfs/dbraw/zinc/15/65/16/487156516.db2.gz WRHZATPDAMFKDU-QMMMGPOBSA-N 1 1 195.266 1.140 20 0 ADADMO CCc1nc(NC[C@@H](C)O)cc(C)[nH+]1 306451846 487156553 /nfs/dbraw/zinc/15/65/53/487156553.db2.gz WRHZATPDAMFKDU-MRVPVSSYSA-N 1 1 195.266 1.140 20 0 ADADMO CC(C)[C@H](O)C[N@H+]1CC[C@@H](C)[C@H]1C 306441758 487156593 /nfs/dbraw/zinc/15/65/93/487156593.db2.gz VBWDLZYTEDOYMV-GMTAPVOTSA-N 1 1 185.311 1.734 20 0 ADADMO CC(C)(c1nc(C[NH3+])no1)C1CCC1 306451731 487156638 /nfs/dbraw/zinc/15/66/38/487156638.db2.gz LWOGRHHYBWTANJ-UHFFFAOYSA-N 1 1 195.266 1.606 20 0 ADADMO CC[C@H]1CC[N@H+]1[C@@H]1CCCOC1 306458314 487156824 /nfs/dbraw/zinc/15/68/24/487156824.db2.gz YRFDXKSIVGYTNS-VHSXEESVSA-N 1 1 169.268 1.650 20 0 ADADMO CC[C@@H]1CC[N@H+]1[C@@H]1CCCOC1 306458312 487156941 /nfs/dbraw/zinc/15/69/41/487156941.db2.gz YRFDXKSIVGYTNS-NXEZZACHSA-N 1 1 169.268 1.650 20 0 ADADMO CC[C@H]1CC[N@H+]1[C@H]1CCCOC1 306458313 487157047 /nfs/dbraw/zinc/15/70/47/487157047.db2.gz YRFDXKSIVGYTNS-UWVGGRQHSA-N 1 1 169.268 1.650 20 0 ADADMO CC(=O)C[N@H+]1CCCO[C@H](C(C)C)C1 306468598 487157465 /nfs/dbraw/zinc/15/74/65/487157465.db2.gz OBCZVBKFKFHIER-NSHDSACASA-N 1 1 199.294 1.322 20 0 ADADMO CC(=O)C[N@H+]1CCCO[C@@H](C(C)C)C1 306468597 487157508 /nfs/dbraw/zinc/15/75/08/487157508.db2.gz OBCZVBKFKFHIER-LLVKDONJSA-N 1 1 199.294 1.322 20 0 ADADMO CCCC[N@H+]1CCOC[C@H](C)C1 306490997 487158605 /nfs/dbraw/zinc/15/86/05/487158605.db2.gz ZYZYFCTYRXVBRY-SNVBAGLBSA-N 1 1 171.284 1.755 20 0 ADADMO CCCC[N@H+]1CCOC[C@@H](C)C1 306490995 487158645 /nfs/dbraw/zinc/15/86/45/487158645.db2.gz ZYZYFCTYRXVBRY-JTQLQIEISA-N 1 1 171.284 1.755 20 0 ADADMO CC(F)(F)C[NH2+][C@H]1CCOC1(C)C 306506500 487159037 /nfs/dbraw/zinc/15/90/37/487159037.db2.gz VRTYHGGUVCWDAC-ZETCQYMHSA-N 1 1 193.237 1.799 20 0 ADADMO C[C@@H]1OCC[C@@H]1[NH2+]CC(C)(F)F 306505882 487159097 /nfs/dbraw/zinc/15/90/97/487159097.db2.gz FYPCYNCZWNPZLL-BQBZGAKWSA-N 1 1 179.210 1.409 20 0 ADADMO C[C@@H]1OCC[C@H]1[NH2+]CC(C)(F)F 306505884 487159125 /nfs/dbraw/zinc/15/91/25/487159125.db2.gz FYPCYNCZWNPZLL-NKWVEPMBSA-N 1 1 179.210 1.409 20 0 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487160744 /nfs/dbraw/zinc/16/07/44/487160744.db2.gz NTXRDOOBQCKQNS-BBBLOLIVSA-N 1 1 183.295 1.345 20 0 ADADMO CC[C@@H](C)C[N@H+]1C[C@@H](C)C[C@@H](O)C1 306614534 487162279 /nfs/dbraw/zinc/16/22/79/487162279.db2.gz OSVRDMMMSXWBGM-OUAUKWLOSA-N 1 1 185.311 1.735 20 0 ADADMO C[C@]1(O)CC[N@@H+](CCC2CCC2)C1 306608680 487162294 /nfs/dbraw/zinc/16/22/94/487162294.db2.gz JMCHEIOQJGNZEM-NSHDSACASA-N 1 1 183.295 1.633 20 0 ADADMO C[C@@]1(O)CC[N@@H+](CCC2CCC2)C1 306608679 487162346 /nfs/dbraw/zinc/16/23/46/487162346.db2.gz JMCHEIOQJGNZEM-LLVKDONJSA-N 1 1 183.295 1.633 20 0 ADADMO C[C@@]1(O)CC[N@@H+](CC2=CCCC2)C1 306658792 487163505 /nfs/dbraw/zinc/16/35/05/487163505.db2.gz ACKTXOOHNVCSPP-LLVKDONJSA-N 1 1 181.279 1.553 20 0 ADADMO C[C@@H]1COCC[N@@H+](CC2CCC2)C1 306652305 487164091 /nfs/dbraw/zinc/16/40/91/487164091.db2.gz GLTNVDHQJKQVJW-JTQLQIEISA-N 1 1 183.295 1.755 20 0 ADADMO C[C@]1(O)CC[N@@H+](CC2=CCCC2)C1 306658793 487164135 /nfs/dbraw/zinc/16/41/35/487164135.db2.gz ACKTXOOHNVCSPP-NSHDSACASA-N 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/nfs/dbraw/zinc/16/74/71/487167471.db2.gz TVQVZQKRUZUZMQ-QWRGUYRKSA-N 1 1 196.338 1.859 20 0 ADADMO C[C@@H]1[NH2+]CCN(CCC2CCC2)[C@H]1C 306836432 487167473 /nfs/dbraw/zinc/16/74/73/487167473.db2.gz TVQVZQKRUZUZMQ-QWRGUYRKSA-N 1 1 196.338 1.859 20 0 ADADMO C[C@H]1NCC[N@@H+](CCC2CCC2)[C@@H]1C 306836430 487167389 /nfs/dbraw/zinc/16/73/89/487167389.db2.gz TVQVZQKRUZUZMQ-GHMZBOCLSA-N 1 1 196.338 1.859 20 0 ADADMO C[C@H]1[NH2+]CCN(CCC2CCC2)[C@@H]1C 306836430 487167392 /nfs/dbraw/zinc/16/73/92/487167392.db2.gz TVQVZQKRUZUZMQ-GHMZBOCLSA-N 1 1 196.338 1.859 20 0 ADADMO CC1(C)CC([NH2+]Cc2csnn2)C1 306850914 487167988 /nfs/dbraw/zinc/16/79/88/487167988.db2.gz PYPJNFINYKSIDA-UHFFFAOYSA-N 1 1 197.307 1.816 20 0 ADADMO CCC[N@@H+]1C[C@H]2C[C@@H](O)CC[C@H]2C1 306837100 487168032 /nfs/dbraw/zinc/16/80/32/487168032.db2.gz UYMLGHFVEUZSFR-AXFHLTTASA-N 1 1 183.295 1.489 20 0 ADADMO C[C@H]1C[C@@H](O)C[N@@H+](CCC2CCC2)C1 306865235 487168486 /nfs/dbraw/zinc/16/84/86/487168486.db2.gz LSACDNLTJQTECP-CMPLNLGQSA-N 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307000682 487172152 /nfs/dbraw/zinc/17/21/52/487172152.db2.gz BOFSGIFFTCFBNG-JQWIXIFHSA-N 1 1 195.306 1.799 20 0 ADADMO CC1(C)C[N@@H+](CCC2CCC2)C[C@H]1O 307024487 487172170 /nfs/dbraw/zinc/17/21/70/487172170.db2.gz YQFAJFILFDTLMD-LLVKDONJSA-N 1 1 197.322 1.879 20 0 ADADMO CCC1(c2nc(C[NH3+])no2)CCC1 306999139 487172327 /nfs/dbraw/zinc/17/23/27/487172327.db2.gz ZFRZELVPLVVEMU-UHFFFAOYSA-N 1 1 181.239 1.360 20 0 ADADMO C[C@@H](O)[C@H]1CC[N@@H+](CC2=CCCC2)C1 307000683 487172399 /nfs/dbraw/zinc/17/23/99/487172399.db2.gz BOFSGIFFTCFBNG-PWSUYJOCSA-N 1 1 195.306 1.799 20 0 ADADMO C[C@@H](O)[C@@H]1CC[N@@H+](CC2=CCCC2)C1 307000685 487172458 /nfs/dbraw/zinc/17/24/58/487172458.db2.gz BOFSGIFFTCFBNG-ZYHUDNBSSA-N 1 1 195.306 1.799 20 0 ADADMO CC[C@H]1[C@@H](C)CC[N@H+]1C[C@@H](C)O 307042808 487172677 /nfs/dbraw/zinc/17/26/77/487172677.db2.gz MEJLAPZLVSNQQD-AEJSXWLSSA-N 1 1 171.284 1.488 20 0 ADADMO CC[C@H]1[C@@H](C)CC[N@H+]1C[C@H](C)O 307042810 487172698 /nfs/dbraw/zinc/17/26/98/487172698.db2.gz 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487276952 /nfs/dbraw/zinc/27/69/52/487276952.db2.gz VIXWVLXJVXREJY-JTQLQIEISA-N 1 1 199.294 1.012 20 0 ADADMO CCc1[nH+]ccn1C[C@H](CC)OC 396989309 487276850 /nfs/dbraw/zinc/27/68/50/487276850.db2.gz UBUUVTWSTZOMSF-VIFPVBQESA-N 1 1 182.267 1.871 20 0 ADADMO CCc1[nH+]ccn1C[C@@H](CC)OC 396989308 487276983 /nfs/dbraw/zinc/27/69/83/487276983.db2.gz UBUUVTWSTZOMSF-SECBINFHSA-N 1 1 182.267 1.871 20 0 ADADMO COCCCC[N@@H+](C)CC(C)(C)N 397378191 487277213 /nfs/dbraw/zinc/27/72/13/487277213.db2.gz HKTRSZOHZOPURM-UHFFFAOYSA-N 1 1 188.315 1.082 20 0 ADADMO COCCCCN(C)CC(C)(C)[NH3+] 397378191 487277206 /nfs/dbraw/zinc/27/72/06/487277206.db2.gz HKTRSZOHZOPURM-UHFFFAOYSA-N 1 1 188.315 1.082 20 0 ADADMO COCCCC[N@H+](C)CC(C)(C)N 397378191 487277209 /nfs/dbraw/zinc/27/72/09/487277209.db2.gz HKTRSZOHZOPURM-UHFFFAOYSA-N 1 1 188.315 1.082 20 0 ADADMO C[NH+](C)C1(CNCc2ccco2)CC1 397929544 487281445 /nfs/dbraw/zinc/28/14/45/487281445.db2.gz LQFHMRFLWMTGRY-UHFFFAOYSA-N 1 1 194.278 1.463 20 0 ADADMO 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/nfs/dbraw/zinc/34/10/75/487341075.db2.gz AZSVBAPFFYBYBY-MNOVXSKESA-N 1 1 196.338 1.892 20 0 ADADMO C[C@@H]1CCCC[C@H]1[NH2+]C[C@@H](N)C1CC1 666835021 487341084 /nfs/dbraw/zinc/34/10/84/487341084.db2.gz BVQPZLCIJPKRMQ-YUSALJHKSA-N 1 1 196.338 1.892 20 0 ADADMO Cc1ccc(CN[C@H](C)CC[NH3+])nc1 666831868 487341135 /nfs/dbraw/zinc/34/11/35/487341135.db2.gz CDUSOSLHUXSIDI-SNVBAGLBSA-N 1 1 193.294 1.217 20 0 ADADMO Cc1ccc(CN[C@@H](C)CC[NH3+])nc1 666831867 487341191 /nfs/dbraw/zinc/34/11/91/487341191.db2.gz CDUSOSLHUXSIDI-JTQLQIEISA-N 1 1 193.294 1.217 20 0 ADADMO C[C@@H]1CCC[C@@H]([NH2+]C[C@@H](N)C2CC2)C1 666835066 487341207 /nfs/dbraw/zinc/34/12/07/487341207.db2.gz SDEFKXZZBKLYIH-YUSALJHKSA-N 1 1 196.338 1.892 20 0 ADADMO C[C@@H](CC1CCC1)[NH2+]C[C@@H](N)C1CC1 666835815 487341217 /nfs/dbraw/zinc/34/12/17/487341217.db2.gz HDLYPHSHKOCOIX-JOYOIKCWSA-N 1 1 196.338 1.892 20 0 ADADMO C[C@@H](CC1CC1)[NH2+]C[C@H](N)C1CC1 666835089 487341223 /nfs/dbraw/zinc/34/12/23/487341223.db2.gz ZIFBLERLDFRRER-KWQFWETISA-N 1 1 182.311 1.502 20 0 ADADMO C[C@@H](CC1CCC1)[NH2+]C[C@H](N)C1CC1 666835814 487341231 /nfs/dbraw/zinc/34/12/31/487341231.db2.gz HDLYPHSHKOCOIX-CABZTGNLSA-N 1 1 196.338 1.892 20 0 ADADMO Cc1ccncc1CN[C@@H](C)CC[NH3+] 666833168 487341240 /nfs/dbraw/zinc/34/12/40/487341240.db2.gz DSHINFNZTBAAEB-JTQLQIEISA-N 1 1 193.294 1.217 20 0 ADADMO CC(C)CCC[NH2+]C[C@@H](N)C1CC1 666835894 487341248 /nfs/dbraw/zinc/34/12/48/487341248.db2.gz UTDOSMAQBLRVOG-LLVKDONJSA-N 1 1 184.327 1.750 20 0 ADADMO C[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H](N)C1CC1 666835019 487341257 /nfs/dbraw/zinc/34/12/57/487341257.db2.gz BVQPZLCIJPKRMQ-JLLWLGSASA-N 1 1 196.338 1.892 20 0 ADADMO CCC[C@@H](CC)[NH2+]C[C@@H](N)C1CC1 666835027 487341268 /nfs/dbraw/zinc/34/12/68/487341268.db2.gz GXQOCGKFQJZZTM-GHMZBOCLSA-N 1 1 184.327 1.892 20 0 ADADMO Cc1ccncc1CN[C@H](C)CC[NH3+] 666833169 487341291 /nfs/dbraw/zinc/34/12/91/487341291.db2.gz DSHINFNZTBAAEB-SNVBAGLBSA-N 1 1 193.294 1.217 20 0 ADADMO CC(C)C[C@@H](C)C[NH2+]C[C@@H](N)C1CC1 666835865 487341304 /nfs/dbraw/zinc/34/13/04/487341304.db2.gz PIWAPRWUILYDMJ-ZYHUDNBSSA-N 1 1 198.354 1.996 20 0 ADADMO CC1CCC([NH2+]C[C@@H](N)C2CC2)CC1 666835049 487341309 /nfs/dbraw/zinc/34/13/09/487341309.db2.gz OFHLEIBRAWYCLP-QEWOUOOISA-N 1 1 196.338 1.892 20 0 ADADMO C[C@@H]1CCC[C@@H]([NH2+]C[C@H](N)C2CC2)C1 666835064 487341324 /nfs/dbraw/zinc/34/13/24/487341324.db2.gz SDEFKXZZBKLYIH-JLLWLGSASA-N 1 1 196.338 1.892 20 0 ADADMO C[C@@H]1CCC[C@@H]1[NH2+]C[C@H](N)C1CC1 666835040 487341333 /nfs/dbraw/zinc/34/13/33/487341333.db2.gz KKPZJDZBSNYNSW-MIMYLULJSA-N 1 1 182.311 1.502 20 0 ADADMO C[C@H](CC1CCC1)[NH2+]C[C@@H](N)C1CC1 666835813 487341368 /nfs/dbraw/zinc/34/13/68/487341368.db2.gz HDLYPHSHKOCOIX-BXKDBHETSA-N 1 1 196.338 1.892 20 0 ADADMO C[C@@H](CC[NH3+])NCc1cccc(O)c1 666831447 487341381 /nfs/dbraw/zinc/34/13/81/487341381.db2.gz SBGWQAIDGZUQFI-VIFPVBQESA-N 1 1 194.278 1.219 20 0 ADADMO CC1CCC([NH2+]C[C@H](N)C2CC2)CC1 666835048 487341402 /nfs/dbraw/zinc/34/14/02/487341402.db2.gz OFHLEIBRAWYCLP-NHNAUAITSA-N 1 1 196.338 1.892 20 0 ADADMO C[C@H](CC[NH3+])NCc1cccc(O)c1 666831446 487341407 /nfs/dbraw/zinc/34/14/07/487341407.db2.gz SBGWQAIDGZUQFI-SECBINFHSA-N 1 1 194.278 1.219 20 0 ADADMO C[C@H](CC1CC1)[NH2+]C[C@@H](N)C1CC1 666835090 487341413 /nfs/dbraw/zinc/34/14/13/487341413.db2.gz ZIFBLERLDFRRER-LDYMZIIASA-N 1 1 182.311 1.502 20 0 ADADMO C[C@H](CC1CC1)[NH2+]C[C@H](N)C1CC1 666835088 487341417 /nfs/dbraw/zinc/34/14/17/487341417.db2.gz ZIFBLERLDFRRER-KCJUWKMLSA-N 1 1 182.311 1.502 20 0 ADADMO CC(C)CCC[NH2+]CC1(N)CCC1 666827626 487341424 /nfs/dbraw/zinc/34/14/24/487341424.db2.gz SLBJLUFVMRATSR-UHFFFAOYSA-N 1 1 184.327 1.894 20 0 ADADMO C[C@H](CC1CCC1)[NH2+]C[C@H](N)C1CC1 666835816 487341431 /nfs/dbraw/zinc/34/14/31/487341431.db2.gz HDLYPHSHKOCOIX-SKDRFNHKSA-N 1 1 196.338 1.892 20 0 ADADMO CC(C)(C)CC[NH2+]C[C@H](N)C1CC1 666835016 487341174 /nfs/dbraw/zinc/34/11/74/487341174.db2.gz BVLIOVJCNVMISY-JTQLQIEISA-N 1 1 184.327 1.750 20 0 ADADMO C[C@@H]1CCC[C@H]1[NH2+]C[C@H](N)C1CC1 666835037 487341183 /nfs/dbraw/zinc/34/11/83/487341183.db2.gz KKPZJDZBSNYNSW-DVVUODLYSA-N 1 1 182.311 1.502 20 0 ADADMO CCC[C@H](CC)[NH2+]C[C@H](N)C1CC1 666835029 487341477 /nfs/dbraw/zinc/34/14/77/487341477.db2.gz GXQOCGKFQJZZTM-QWRGUYRKSA-N 1 1 184.327 1.892 20 0 ADADMO CC(C)C[C@@H](C)C[NH2+]C[C@H](N)C1CC1 666835864 487341483 /nfs/dbraw/zinc/34/14/83/487341483.db2.gz PIWAPRWUILYDMJ-PWSUYJOCSA-N 1 1 198.354 1.996 20 0 ADADMO N[C@@H](C[NH2+]CC1CCCCC1)C1CC1 666834218 487341505 /nfs/dbraw/zinc/34/15/05/487341505.db2.gz CSMYOANYSFLGBD-LBPRGKRZSA-N 1 1 196.338 1.894 20 0 ADADMO C[C@@H]1CCCC[C@H]1[NH2+]C[C@H](N)C1CC1 666835018 487341511 /nfs/dbraw/zinc/34/15/11/487341511.db2.gz BVQPZLCIJPKRMQ-ADEWGFFLSA-N 1 1 196.338 1.892 20 0 ADADMO C[C@@H](CC1CC1)[NH2+]C[C@@H](N)C1CC1 666835087 487341517 /nfs/dbraw/zinc/34/15/17/487341517.db2.gz ZIFBLERLDFRRER-GZMMTYOYSA-N 1 1 182.311 1.502 20 0 ADADMO CC(C)(C)CC[NH2+]C[C@@H](N)C1CC1 666835017 487341522 /nfs/dbraw/zinc/34/15/22/487341522.db2.gz BVLIOVJCNVMISY-SNVBAGLBSA-N 1 1 184.327 1.750 20 0 ADADMO CC1(C)CCC[C@H]1[NH2+]C[C@H](N)C1CC1 666835012 487341526 /nfs/dbraw/zinc/34/15/26/487341526.db2.gz AZSVBAPFFYBYBY-WDEREUQCSA-N 1 1 196.338 1.892 20 0 ADADMO C[C@@H]1CCC[C@H]1[NH2+]C[C@@H](N)C1CC1 666835038 487341529 /nfs/dbraw/zinc/34/15/29/487341529.db2.gz KKPZJDZBSNYNSW-FBIMIBRVSA-N 1 1 182.311 1.502 20 0 ADADMO CC(C)C[C@H](C)C[NH2+]C[C@H](N)C1CC1 666835863 487341533 /nfs/dbraw/zinc/34/15/33/487341533.db2.gz PIWAPRWUILYDMJ-JQWIXIFHSA-N 1 1 198.354 1.996 20 0 ADADMO CC(C)(C)CC[NH2+]CC1(N)CCC1 666827627 487341541 /nfs/dbraw/zinc/34/15/41/487341541.db2.gz SYAUMEYCGLPTFC-UHFFFAOYSA-N 1 1 184.327 1.894 20 0 ADADMO C[C@@H]1CCC[C@@H]1[NH2+]C[C@@H](N)C1CC1 666835039 487341562 /nfs/dbraw/zinc/34/15/62/487341562.db2.gz KKPZJDZBSNYNSW-IEBDPFPHSA-N 1 1 182.311 1.502 20 0 ADADMO C[C@@H]1CCC[C@H]([NH2+]C[C@@H](N)C2CC2)C1 666835063 487341570 /nfs/dbraw/zinc/34/15/70/487341570.db2.gz SDEFKXZZBKLYIH-ADEWGFFLSA-N 1 1 196.338 1.892 20 0 ADADMO CC(C)CCC[NH2+]C[C@H](N)C1CC1 666835895 487341592 /nfs/dbraw/zinc/34/15/92/487341592.db2.gz UTDOSMAQBLRVOG-NSHDSACASA-N 1 1 184.327 1.750 20 0 ADADMO C[C@H]([NH2+]C[C@@H](N)C1CC1)C1CCC1 666835896 487341602 /nfs/dbraw/zinc/34/16/02/487341602.db2.gz VYMPQHVUBSQCGJ-GZMMTYOYSA-N 1 1 182.311 1.502 20 0 ADADMO C[C@@H]1CCC[C@H]([NH2+]C[C@H](N)C2CC2)C1 666835065 487341612 /nfs/dbraw/zinc/34/16/12/487341612.db2.gz SDEFKXZZBKLYIH-USWWRNFRSA-N 1 1 196.338 1.892 20 0 ADADMO CC1(C)CCC[C@@H]1[NH2+]C[C@H](N)C1CC1 666835011 487341649 /nfs/dbraw/zinc/34/16/49/487341649.db2.gz AZSVBAPFFYBYBY-QWRGUYRKSA-N 1 1 196.338 1.892 20 0 ADADMO CC(C)C[C@H](C)C[NH2+]C[C@@H](N)C1CC1 666835862 487341657 /nfs/dbraw/zinc/34/16/57/487341657.db2.gz PIWAPRWUILYDMJ-CMPLNLGQSA-N 1 1 198.354 1.996 20 0 ADADMO C[C@@H]1CCCC[C@@H]1[NH2+]C[C@H](N)C1CC1 666835020 487341666 /nfs/dbraw/zinc/34/16/66/487341666.db2.gz BVQPZLCIJPKRMQ-USWWRNFRSA-N 1 1 196.338 1.892 20 0 ADADMO CCC[C@@H](CC)[NH2+]C[C@H](N)C1CC1 666835028 487341674 /nfs/dbraw/zinc/34/16/74/487341674.db2.gz GXQOCGKFQJZZTM-MNOVXSKESA-N 1 1 184.327 1.892 20 0 ADADMO N[C@H](C[NH2+]CC1CCCCC1)C1CC1 666834216 487341689 /nfs/dbraw/zinc/34/16/89/487341689.db2.gz CSMYOANYSFLGBD-GFCCVEGCSA-N 1 1 196.338 1.894 20 0 ADADMO CCC[C@H](CC)[NH2+]C[C@@H](N)C1CC1 666835030 487341698 /nfs/dbraw/zinc/34/16/98/487341698.db2.gz GXQOCGKFQJZZTM-WDEREUQCSA-N 1 1 184.327 1.892 20 0 ADADMO C[C@@H]([NH2+]C[C@H](N)C1CC1)C1CCC1 666835897 487341704 /nfs/dbraw/zinc/34/17/04/487341704.db2.gz VYMPQHVUBSQCGJ-KCJUWKMLSA-N 1 1 182.311 1.502 20 0 ADADMO C[C@H]([NH2+]C[C@H](N)C1CC1)C1CCC1 666835898 487342184 /nfs/dbraw/zinc/34/21/84/487342184.db2.gz VYMPQHVUBSQCGJ-KWQFWETISA-N 1 1 182.311 1.502 20 0 ADADMO C[C@@H]([NH2+]C[C@@H](N)C1CC1)C1CCC1 666835899 487342267 /nfs/dbraw/zinc/34/22/67/487342267.db2.gz VYMPQHVUBSQCGJ-LDYMZIIASA-N 1 1 182.311 1.502 20 0 ADADMO Cc1cc(C[NH2+][C@H](C)CN)c(C)s1 666866771 487342998 /nfs/dbraw/zinc/34/29/98/487342998.db2.gz VHWAXKABLWIKDW-SSDOTTSWSA-N 1 1 198.335 1.802 20 0 ADADMO CC(C)CCCNCC(F)(F)C[NH3+] 666866191 487343042 /nfs/dbraw/zinc/34/30/42/487343042.db2.gz OMBIZBNVFQBENR-UHFFFAOYSA-N 1 1 194.269 1.606 20 0 ADADMO CC(C)CCC[NH2+]CC(F)(F)CN 666866191 487343045 /nfs/dbraw/zinc/34/30/45/487343045.db2.gz OMBIZBNVFQBENR-UHFFFAOYSA-N 1 1 194.269 1.606 20 0 ADADMO C[C@@H](CC1CC1)[NH2+]CC(F)(F)CN 666866155 487343110 /nfs/dbraw/zinc/34/31/10/487343110.db2.gz CWBMGMALNVCYIM-ZETCQYMHSA-N 1 1 192.253 1.359 20 0 ADADMO C[C@@H](CC1CC1)NCC(F)(F)C[NH3+] 666866155 487343112 /nfs/dbraw/zinc/34/31/12/487343112.db2.gz CWBMGMALNVCYIM-ZETCQYMHSA-N 1 1 192.253 1.359 20 0 ADADMO C[C@H](CN)[NH2+]C/C=C/c1ccccc1 666866743 487343128 /nfs/dbraw/zinc/34/31/28/487343128.db2.gz BZOPHBAUJSLYSX-AYLMVEPYSA-N 1 1 190.290 1.637 20 0 ADADMO C[C@@H]1CCC[C@H]1NCC(F)(F)C[NH3+] 666865803 487343175 /nfs/dbraw/zinc/34/31/75/487343175.db2.gz IWHQTTVLMBZACL-HTQZYQBOSA-N 1 1 192.253 1.359 20 0 ADADMO C[C@@H]1CCC[C@@H]1NCC(F)(F)C[NH3+] 666865805 487343208 /nfs/dbraw/zinc/34/32/08/487343208.db2.gz IWHQTTVLMBZACL-SFYZADRCSA-N 1 1 192.253 1.359 20 0 ADADMO CC(C)(C)CC[NH2+]CC(F)(F)CN 666866219 487343349 /nfs/dbraw/zinc/34/33/49/487343349.db2.gz ZXPIKXOTFUYLLM-UHFFFAOYSA-N 1 1 194.269 1.606 20 0 ADADMO CC(C)(C)CCNCC(F)(F)C[NH3+] 666866219 487343351 /nfs/dbraw/zinc/34/33/51/487343351.db2.gz ZXPIKXOTFUYLLM-UHFFFAOYSA-N 1 1 194.269 1.606 20 0 ADADMO C[C@H]1CCC[C@@H]1NCC(F)(F)C[NH3+] 666865806 487343444 /nfs/dbraw/zinc/34/34/44/487343444.db2.gz IWHQTTVLMBZACL-YUMQZZPRSA-N 1 1 192.253 1.359 20 0 ADADMO C[C@H]1CCC[C@H]1NCC(F)(F)C[NH3+] 666865804 487343454 /nfs/dbraw/zinc/34/34/54/487343454.db2.gz IWHQTTVLMBZACL-JGVFFNPUSA-N 1 1 192.253 1.359 20 0 ADADMO C[C@H](CC1CC1)[NH2+]CC(F)(F)CN 666866154 487343488 /nfs/dbraw/zinc/34/34/88/487343488.db2.gz CWBMGMALNVCYIM-SSDOTTSWSA-N 1 1 192.253 1.359 20 0 ADADMO C[C@H](CC1CC1)NCC(F)(F)C[NH3+] 666866154 487343494 /nfs/dbraw/zinc/34/34/94/487343494.db2.gz CWBMGMALNVCYIM-SSDOTTSWSA-N 1 1 192.253 1.359 20 0 ADADMO C[C@H](CN)[NH2+]C/C=C\c1ccccc1 666866744 487343626 /nfs/dbraw/zinc/34/36/26/487343626.db2.gz BZOPHBAUJSLYSX-UIJKISKDSA-N 1 1 190.290 1.637 20 0 ADADMO CCN[C@H](C)C[NH2+]CC1(C)CC1 666878531 487344972 /nfs/dbraw/zinc/34/49/72/487344972.db2.gz JCAPYSQPGOMFFM-SECBINFHSA-N 1 1 170.300 1.374 20 0 ADADMO CC[NH2+][C@H](C)CNCC1(C)CC1 666878531 487344975 /nfs/dbraw/zinc/34/49/75/487344975.db2.gz JCAPYSQPGOMFFM-SECBINFHSA-N 1 1 170.300 1.374 20 0 ADADMO CCN[C@H](C)C[NH2+][C@@H]1CC[C@H](C)C1 666877373 487345032 /nfs/dbraw/zinc/34/50/32/487345032.db2.gz BFGPUINTHSETKZ-HBNTYKKESA-N 1 1 184.327 1.763 20 0 ADADMO CCN[C@H](C)C[NH2+][C@@H]1CCC[C@@H]1C 666877378 487345049 /nfs/dbraw/zinc/34/50/49/487345049.db2.gz CYOLOJUZGXFDGT-HBNTYKKESA-N 1 1 184.327 1.763 20 0 ADADMO CCN[C@H](C)C[NH2+][C@@H]1CCC[C@H]1C 666877377 487345086 /nfs/dbraw/zinc/34/50/86/487345086.db2.gz CYOLOJUZGXFDGT-GMTAPVOTSA-N 1 1 184.327 1.763 20 0 ADADMO 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190.237 1.277 20 0 ADADMO N[C@H](C[NH2+][C@@H]1C=CCC1)CC(F)F 903933218 582629943 /nfs/dbraw/zinc/62/99/43/582629943.db2.gz MJVCDLFMGJLXRC-JGVFFNPUSA-N 1 1 190.237 1.277 20 0 ADADMO [NH3+][C@H](CN[C@@H]1C=CCC1)CC(F)F 903933218 582629946 /nfs/dbraw/zinc/62/99/46/582629946.db2.gz MJVCDLFMGJLXRC-JGVFFNPUSA-N 1 1 190.237 1.277 20 0 ADADMO N[C@@H](C[NH2+][C@@H]1C=CCC1)CC(F)F 903933217 582629975 /nfs/dbraw/zinc/62/99/75/582629975.db2.gz MJVCDLFMGJLXRC-HTQZYQBOSA-N 1 1 190.237 1.277 20 0 ADADMO [NH3+][C@@H](CN[C@@H]1C=CCC1)CC(F)F 903933217 582629980 /nfs/dbraw/zinc/62/99/80/582629980.db2.gz MJVCDLFMGJLXRC-HTQZYQBOSA-N 1 1 190.237 1.277 20 0 ADADMO N[C@@H](C[NH2+][C@H]1C=CCC1)CC(F)F 903933219 582630240 /nfs/dbraw/zinc/63/02/40/582630240.db2.gz MJVCDLFMGJLXRC-SFYZADRCSA-N 1 1 190.237 1.277 20 0 ADADMO [NH3+][C@@H](CN[C@H]1C=CCC1)CC(F)F 903933219 582630242 /nfs/dbraw/zinc/63/02/42/582630242.db2.gz MJVCDLFMGJLXRC-SFYZADRCSA-N 1 1 190.237 1.277 20 0 ADADMO CC[C@H](C)CN[C@@H]1C[NH2+]C[C@H]1C 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583466210 /nfs/dbraw/zinc/46/62/10/583466210.db2.gz RPGRHHOEEAGIHJ-BLDJZWNYSA-N 1 1 194.322 1.978 20 0 ADADMO CC1(C)[C@@H](NC/C=C\Cl)C[C@H]1[NH3+] 883442574 583466935 /nfs/dbraw/zinc/46/69/35/583466935.db2.gz ONMCSAJBEVBRMM-WLFSLNMXSA-N 1 1 188.702 1.454 20 0 ADADMO CC1(C)[C@@H](NC/C=C/Cl)C[C@H]1[NH3+] 883442575 583467131 /nfs/dbraw/zinc/46/71/31/583467131.db2.gz ONMCSAJBEVBRMM-ZGNIKFQOSA-N 1 1 188.702 1.454 20 0 ADADMO CC1(C)[C@H]([NH3+])C[C@H]1NC/C=C/Cl 883442572 583467179 /nfs/dbraw/zinc/46/71/79/583467179.db2.gz ONMCSAJBEVBRMM-ATXJSMISSA-N 1 1 188.702 1.454 20 0 ADADMO CC1(C)[C@H]([NH3+])C[C@H]1NC/C=C\Cl 883442573 583467248 /nfs/dbraw/zinc/46/72/48/583467248.db2.gz ONMCSAJBEVBRMM-PYWFFMSPSA-N 1 1 188.702 1.454 20 0 ADADMO CCn1cc(C[N@@H+](CC)C(C)C)nn1 883998371 583471698 /nfs/dbraw/zinc/47/16/98/583471698.db2.gz LRFVZYANXNPYAZ-UHFFFAOYSA-N 1 1 196.298 1.528 20 0 ADADMO CCn1cc(C[N@@H+](C)CC(C)C)nn1 883999371 583471756 /nfs/dbraw/zinc/47/17/56/583471756.db2.gz 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193.237 1.344 20 0 ADADMO C[C@@H]1CC[N@@H+](C[C@](C)(O)C(F)F)C1 885980299 583489264 /nfs/dbraw/zinc/48/92/64/583489264.db2.gz YIQKCLSPQDQPHJ-APPZFPTMSA-N 1 1 193.237 1.344 20 0 ADADMO CC(C)C[N@@H+](C)C[C@@](C)(O)C(F)F 885967214 583489355 /nfs/dbraw/zinc/48/93/55/583489355.db2.gz KCQGUBICLQRDDD-SECBINFHSA-N 1 1 195.253 1.590 20 0 ADADMO CCC[N@@H+](C)C[C@@](C)(O)C(F)F 885971370 583489378 /nfs/dbraw/zinc/48/93/78/583489378.db2.gz YLQPGZXZRGSBCS-MRVPVSSYSA-N 1 1 181.226 1.344 20 0 ADADMO C[N@@H+](CC1CC1)C[C@](C)(O)C(F)F 885958262 583489501 /nfs/dbraw/zinc/48/95/01/583489501.db2.gz FVWHJJXWPFEGTD-VIFPVBQESA-N 1 1 193.237 1.344 20 0 ADADMO CCC[N@@H+](CC)C[C@](C)(O)C(F)F 885967217 583489742 /nfs/dbraw/zinc/48/97/42/583489742.db2.gz KDYZFIASFWEGIZ-VIFPVBQESA-N 1 1 195.253 1.734 20 0 ADADMO CC(C)C[N@@H+](C)C[C@](C)(O)C(F)F 885967215 583489803 /nfs/dbraw/zinc/48/98/03/583489803.db2.gz KCQGUBICLQRDDD-VIFPVBQESA-N 1 1 195.253 1.590 20 0 ADADMO C[C@H]1CC[N@@H+](C[C@@](C)(O)C(F)F)C1 885980301 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583506583 /nfs/dbraw/zinc/50/65/83/583506583.db2.gz LZJOSTHWTXWPBN-VIFPVBQESA-N 1 1 197.257 1.829 20 0 ADADMO CO[C@@H]1CC[C@H]([N@@H+](C)CCCF)C1 887142594 583506593 /nfs/dbraw/zinc/50/65/93/583506593.db2.gz ROKYLADDLAPOPT-VHSXEESVSA-N 1 1 189.274 1.845 20 0 ADADMO CCC(=O)CC[N@@H+](C)CCCF 887141193 583506605 /nfs/dbraw/zinc/50/66/05/583506605.db2.gz JKQFYIYPSCREOH-UHFFFAOYSA-N 1 1 175.247 1.647 20 0 ADADMO Cc1cc(C[N@@H+](C)CCCF)on1 887137838 583506616 /nfs/dbraw/zinc/50/66/16/583506616.db2.gz VFLYTJQIMXZXJF-UHFFFAOYSA-N 1 1 186.230 1.774 20 0 ADADMO CCOCCC[N@@H+](C)CCCF 887138924 583506626 /nfs/dbraw/zinc/50/66/26/583506626.db2.gz RJTMITYEPDKULR-UHFFFAOYSA-N 1 1 177.263 1.704 20 0 ADADMO Cc1ncc(C[N@@H+](C)CCCF)cn1 887140137 583506639 /nfs/dbraw/zinc/50/66/39/583506639.db2.gz RQLRLTSBCAIQIK-UHFFFAOYSA-N 1 1 197.257 1.576 20 0 ADADMO Cn1cncc1C[N@@H+](C)CCCF 887138643 583506644 /nfs/dbraw/zinc/50/66/44/583506644.db2.gz FNVVSCHQIXVBTB-UHFFFAOYSA-N 1 1 185.246 1.212 20 0 ADADMO C[N@@H+](CCCF)CCn1ccnc1 887141554 583506676 /nfs/dbraw/zinc/50/66/76/583506676.db2.gz ZOVYGPWSPLOBSF-UHFFFAOYSA-N 1 1 185.246 1.175 20 0 ADADMO CO[C@@H]1CC[C@@H]([N@@H+](C)CCCF)C1 887142592 583506697 /nfs/dbraw/zinc/50/66/97/583506697.db2.gz ROKYLADDLAPOPT-NXEZZACHSA-N 1 1 189.274 1.845 20 0 ADADMO CC[C@@H](C)[N@@H+](C)CCNC(=O)OC 221949311 583507312 /nfs/dbraw/zinc/50/73/12/583507312.db2.gz FBSFEJQCZUVYGT-MRVPVSSYSA-N 1 1 188.271 1.073 20 0 ADADMO CC[C@H](C)[N@@H+](C)CCNC(=O)OC 221949373 583507525 /nfs/dbraw/zinc/50/75/25/583507525.db2.gz FBSFEJQCZUVYGT-QMMMGPOBSA-N 1 1 188.271 1.073 20 0 ADADMO C/C=C/C(=O)NCC[N@H+](CC)CCC 222266446 583507895 /nfs/dbraw/zinc/50/78/95/583507895.db2.gz CLVJQIPGIOVSNE-QPJJXVBHSA-N 1 1 198.310 1.411 20 0 ADADMO CC(C)[N@H+]1CC[C@@H](CF)C1 222305929 583508226 /nfs/dbraw/zinc/50/82/26/583508226.db2.gz SYPHQVCZMSUENH-QMMMGPOBSA-N 1 1 145.221 1.686 20 0 ADADMO CCC(=O)NCC[N@H+]1CCC(C)(C)C1 890081367 583512842 /nfs/dbraw/zinc/51/28/42/583512842.db2.gz FSGCVKKHEXXJKA-UHFFFAOYSA-N 1 1 198.310 1.245 20 0 ADADMO CC[N@H+]1CCC[C@@H](CCC(=O)OC)C1 107955118 583513373 /nfs/dbraw/zinc/51/33/73/583513373.db2.gz CKWHZEYMHFVIKN-JTQLQIEISA-N 1 1 199.294 1.672 20 0 ADADMO CC[N@H+]1CCC[C@H](CCC(=O)OC)C1 107955112 583513859 /nfs/dbraw/zinc/51/38/59/583513859.db2.gz CKWHZEYMHFVIKN-SNVBAGLBSA-N 1 1 199.294 1.672 20 0 ADADMO C[C@H]1CCC[C@@H]([N@H+](C)C[C@@H](C)O)C1 42494131 490015393 /nfs/dbraw/zinc/01/53/93/490015393.db2.gz IYPJRAPOMYRKNG-HBNTYKKESA-N 1 1 185.311 1.878 20 0 ADADMO CC[C@@H]1CC[C@@H](C)[N@@H+](CCO)C1 5599121 490013249 /nfs/dbraw/zinc/01/32/49/490013249.db2.gz SBOAJQAJMGHSTF-NXEZZACHSA-N 1 1 171.284 1.489 20 0 ADADMO CC[C@@H](N)C[NH2+]C1CCCCC1 40397765 490014221 /nfs/dbraw/zinc/01/42/21/490014221.db2.gz OVGHCPHXINCGFD-SECBINFHSA-N 1 1 170.300 1.646 20 0 ADADMO CC(C)(C)NCC[NH2+]C1CCCC1 40398184 490014225 /nfs/dbraw/zinc/01/42/25/490014225.db2.gz VCODUHGQHVAOSU-UHFFFAOYSA-N 1 1 184.327 1.907 20 0 ADADMO CC(C)(C)[NH2+]CCNC1CCCC1 40398184 490014227 /nfs/dbraw/zinc/01/42/27/490014227.db2.gz VCODUHGQHVAOSU-UHFFFAOYSA-N 1 1 184.327 1.907 20 0 ADADMO CCC[N@@H+](CCOCCO)C(C)C 40229377 490014232 /nfs/dbraw/zinc/01/42/32/490014232.db2.gz VZNLELIJSXTOGZ-UHFFFAOYSA-N 1 1 189.299 1.116 20 0 ADADMO CC(C)[C@@H](N)C[NH2+]C1CCCCC1 40397712 490014237 /nfs/dbraw/zinc/01/42/37/490014237.db2.gz PAMXYMCWEDKUIK-NSHDSACASA-N 1 1 184.327 1.892 20 0 ADADMO CC[C@H](C)[NH2+]CC1(N)CCCC1 40408169 490014263 /nfs/dbraw/zinc/01/42/63/490014263.db2.gz VSKGBPHFAYXZIN-VIFPVBQESA-N 1 1 170.300 1.646 20 0 ADADMO CC[C@H](N)C[NH2+]C1CCCCC1 40397763 490014273 /nfs/dbraw/zinc/01/42/73/490014273.db2.gz OVGHCPHXINCGFD-VIFPVBQESA-N 1 1 170.300 1.646 20 0 ADADMO CCCCC[N@@H+](C)CCOCCO 40229290 490014338 /nfs/dbraw/zinc/01/43/38/490014338.db2.gz TYOAWKWAUHMOEP-UHFFFAOYSA-N 1 1 189.299 1.117 20 0 ADADMO CC[C@@H](C)[N@@H+](CC)CCOCCO 40229373 490014347 /nfs/dbraw/zinc/01/43/47/490014347.db2.gz CYCGKTYJUNRQFB-SNVBAGLBSA-N 1 1 189.299 1.116 20 0 ADADMO CC[C@@H](C)[NH2+]CC1(N)CCCC1 40408165 490014356 /nfs/dbraw/zinc/01/43/56/490014356.db2.gz VSKGBPHFAYXZIN-SECBINFHSA-N 1 1 170.300 1.646 20 0 ADADMO CC[C@H](C)[N@@H+](CC)CCOCCO 40229374 490014359 /nfs/dbraw/zinc/01/43/59/490014359.db2.gz CYCGKTYJUNRQFB-JTQLQIEISA-N 1 1 189.299 1.116 20 0 ADADMO CC(C)C[NH2+]CC1(N)CCCCC1 40408661 490014507 /nfs/dbraw/zinc/01/45/07/490014507.db2.gz SLFVETZPXAMQDX-UHFFFAOYSA-N 1 1 184.327 1.894 20 0 ADADMO CC(C)C[NH2+]C[C@H](N)C(C)C 40408559 490014532 /nfs/dbraw/zinc/01/45/32/490014532.db2.gz LNGJMQFVTPVOAK-VIFPVBQESA-N 1 1 158.289 1.215 20 0 ADADMO CC(C)C[NH2+]CC1(N)CCCC1 40408720 490014557 /nfs/dbraw/zinc/01/45/57/490014557.db2.gz BKTWKZSKSDKQGZ-UHFFFAOYSA-N 1 1 170.300 1.504 20 0 ADADMO CC(C)C[NH2+]C[C@@H](N)C(C)C 40408563 490014574 /nfs/dbraw/zinc/01/45/74/490014574.db2.gz LNGJMQFVTPVOAK-SECBINFHSA-N 1 1 158.289 1.215 20 0 ADADMO CC(C)[C@H](N)C[NH2+]C1CCCC1 40408827 490014580 /nfs/dbraw/zinc/01/45/80/490014580.db2.gz QCIPKGLSOBCSPC-SNVBAGLBSA-N 1 1 170.300 1.502 20 0 ADADMO CC[C@H](N)C[NH2+]C1CCCC1 40408943 490014720 /nfs/dbraw/zinc/01/47/20/490014720.db2.gz BXNHMNYYGMXMMX-QMMMGPOBSA-N 1 1 156.273 1.256 20 0 ADADMO CC[C@@H](N)C[NH2+]C1CCCC1 40408947 490014826 /nfs/dbraw/zinc/01/48/26/490014826.db2.gz BXNHMNYYGMXMMX-MRVPVSSYSA-N 1 1 156.273 1.256 20 0 ADADMO CC(C)[C@@H](N)C[NH2+]C1CCCC1 40408831 490014856 /nfs/dbraw/zinc/01/48/56/490014856.db2.gz QCIPKGLSOBCSPC-JTQLQIEISA-N 1 1 170.300 1.502 20 0 ADADMO CCC[N@@H+](CC1CC1)CC(C)(C)N 42491181 490015151 /nfs/dbraw/zinc/01/51/51/490015151.db2.gz SJUTVFIKRISEHN-UHFFFAOYSA-N 1 1 184.327 1.846 20 0 ADADMO CCCN(CC1CC1)CC(C)(C)[NH3+] 42491181 490015152 /nfs/dbraw/zinc/01/51/52/490015152.db2.gz SJUTVFIKRISEHN-UHFFFAOYSA-N 1 1 184.327 1.846 20 0 ADADMO CCCC[N@@H+](CC(C)=O)C1CC1 42490808 490015159 /nfs/dbraw/zinc/01/51/59/490015159.db2.gz MBAZXNWEWGNYAI-UHFFFAOYSA-N 1 1 169.268 1.840 20 0 ADADMO C[C@@H](O)C[N@@H+](C)[C@H]1CCC[C@@H](C)C1 42494125 490015194 /nfs/dbraw/zinc/01/51/94/490015194.db2.gz IYPJRAPOMYRKNG-MXWKQRLJSA-N 1 1 185.311 1.878 20 0 ADADMO CC(C)CCN(C)CC(C)(C)[NH3+] 42457862 490015201 /nfs/dbraw/zinc/01/52/01/490015201.db2.gz ZAYMJBFYCSOCRB-UHFFFAOYSA-N 1 1 172.316 1.702 20 0 ADADMO CC(C)CC[N@H+](C)CC(C)(C)N 42457862 490015202 /nfs/dbraw/zinc/01/52/02/490015202.db2.gz ZAYMJBFYCSOCRB-UHFFFAOYSA-N 1 1 172.316 1.702 20 0 ADADMO CC(C)CC[N@@H+](C)CC(C)(C)N 42457862 490015205 /nfs/dbraw/zinc/01/52/05/490015205.db2.gz ZAYMJBFYCSOCRB-UHFFFAOYSA-N 1 1 172.316 1.702 20 0 ADADMO C[C@@H](O)C[N@@H+](C)[C@@H]1CCC[C@@H](C)C1 42494129 490015246 /nfs/dbraw/zinc/01/52/46/490015246.db2.gz IYPJRAPOMYRKNG-GMTAPVOTSA-N 1 1 185.311 1.878 20 0 ADADMO CCCCN(CC(C)(C)[NH3+])C1CC1 42491320 490015329 /nfs/dbraw/zinc/01/53/29/490015329.db2.gz ZGAGZHIRYQROLS-UHFFFAOYSA-N 1 1 184.327 1.988 20 0 ADADMO CCCC[N@H+](CC(C)(C)N)C1CC1 42491320 490015332 /nfs/dbraw/zinc/01/53/32/490015332.db2.gz ZGAGZHIRYQROLS-UHFFFAOYSA-N 1 1 184.327 1.988 20 0 ADADMO CCCC[N@@H+](CC(C)(C)N)C1CC1 42491320 490015333 /nfs/dbraw/zinc/01/53/33/490015333.db2.gz ZGAGZHIRYQROLS-UHFFFAOYSA-N 1 1 184.327 1.988 20 0 ADADMO C[C@H]1CCC[C@H]([N@H+](C)C[C@@H](C)O)C1 42494127 490015450 /nfs/dbraw/zinc/01/54/50/490015450.db2.gz IYPJRAPOMYRKNG-AXFHLTTASA-N 1 1 185.311 1.878 20 0 ADADMO C[C@@H]1CC[N@@H+](CCCCO)[C@H](C)C1 51734210 490015833 /nfs/dbraw/zinc/01/58/33/490015833.db2.gz PSRWIGGWOURCLE-GHMZBOCLSA-N 1 1 185.311 1.879 20 0 ADADMO C[C@@H](O)CC[N@H+]1CC[C@@H](C)C[C@H]1C 51747083 490016038 /nfs/dbraw/zinc/01/60/38/490016038.db2.gz DIRSKMVKUYYETF-GMTAPVOTSA-N 1 1 185.311 1.878 20 0 ADADMO C[C@H]1C[N@@H+]([C@@H]2CCCOC2)CCC1=O 71014000 490020212 /nfs/dbraw/zinc/02/02/12/490020212.db2.gz NXXKDWVTDXMZHA-VHSXEESVSA-N 1 1 197.278 1.076 20 0 ADADMO C[C@H]1C[N@H+]([C@@H]2CCCOC2)CCC1=O 71014000 490020215 /nfs/dbraw/zinc/02/02/15/490020215.db2.gz NXXKDWVTDXMZHA-VHSXEESVSA-N 1 1 197.278 1.076 20 0 ADADMO C[C@@H]1C[N@@H+]([C@@H]2CCCOC2)CCC1=O 71013998 490020519 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CC(C)CC[N@@H+](CCO)C1CCC1 221157638 490077977 /nfs/dbraw/zinc/07/79/77/490077977.db2.gz ZRBSDHZERYSBEA-UHFFFAOYSA-N 1 1 185.311 1.879 20 0 ADADMO OCC[N@@H+](C1CCC1)[C@H]1C=CCCC1 221142874 490078003 /nfs/dbraw/zinc/07/80/03/490078003.db2.gz GYUHOYNXDULUMI-NSHDSACASA-N 1 1 195.306 1.942 20 0 ADADMO CC[C@H](C)C[N@@H+](CCO)C1CCC1 221149622 490078109 /nfs/dbraw/zinc/07/81/09/490078109.db2.gz WMQIZKXTIAJBLU-JTQLQIEISA-N 1 1 185.311 1.879 20 0 ADADMO OCC[N@@H+](CCC1CC1)C1CCC1 221168288 490078283 /nfs/dbraw/zinc/07/82/83/490078283.db2.gz CBNIGGXBZQFXPS-UHFFFAOYSA-N 1 1 183.295 1.633 20 0 ADADMO OCC[N@@H+](C[C@H]1CCCO1)C1CCC1 221175114 490078408 /nfs/dbraw/zinc/07/84/08/490078408.db2.gz HVFJNSHWRVPROI-LLVKDONJSA-N 1 1 199.294 1.012 20 0 ADADMO OCC[N@@H+](Cc1ccno1)C1CCC1 221204114 490079285 /nfs/dbraw/zinc/07/92/85/490079285.db2.gz FFCPIIZAWNIVOL-UHFFFAOYSA-N 1 1 196.250 1.021 20 0 ADADMO CC[N@H+]1CCC[C@@H](OC(C)C)C1 221991291 490080353 /nfs/dbraw/zinc/08/03/53/490080353.db2.gz OFAVKQKQCMLJIO-SNVBAGLBSA-N 1 1 171.284 1.896 20 0 ADADMO C[C@H](O)CC[N@H+]1CC[C@@H](C)[C@@H](C)C1 221760341 490080410 /nfs/dbraw/zinc/08/04/10/490080410.db2.gz QWCBXKQVXYMCTK-VWYCJHECSA-N 1 1 185.311 1.735 20 0 ADADMO CC(C)[C@H](O)C[N@H+]1CC[C@@H](C)[C@@H](C)C1 221772395 490080574 /nfs/dbraw/zinc/08/05/74/490080574.db2.gz YUEQWZGDTOTCPQ-GRYCIOLGSA-N 1 1 199.338 1.981 20 0 ADADMO CC[N@H+]1CCC[C@H](OC(C)C)C1 221991229 490080744 /nfs/dbraw/zinc/08/07/44/490080744.db2.gz OFAVKQKQCMLJIO-JTQLQIEISA-N 1 1 171.284 1.896 20 0 ADADMO CC[C@@H](C)C[N@H+]1CCN[C@@H](C(C)C)C1 223592105 490082348 /nfs/dbraw/zinc/08/23/48/490082348.db2.gz HRBNPOPIVNXIDP-VXGBXAGGSA-N 1 1 198.354 1.962 20 0 ADADMO CC[C@@H](C)CN1CC[NH2+][C@@H](C(C)C)C1 223592105 490082352 /nfs/dbraw/zinc/08/23/52/490082352.db2.gz HRBNPOPIVNXIDP-VXGBXAGGSA-N 1 1 198.354 1.962 20 0 ADADMO CC[C@H](C)C[N@H+]1CCN[C@@H](C(C)C)C1 223592163 490082493 /nfs/dbraw/zinc/08/24/93/490082493.db2.gz HRBNPOPIVNXIDP-NWDGAFQWSA-N 1 1 198.354 1.962 20 0 ADADMO CC[C@H](C)CN1CC[NH2+][C@@H](C(C)C)C1 223592163 490082496 /nfs/dbraw/zinc/08/24/96/490082496.db2.gz HRBNPOPIVNXIDP-NWDGAFQWSA-N 1 1 198.354 1.962 20 0 ADADMO CC1(C)CCC[C@@H]1c1nc(C[NH3+])no1 226693379 490083454 /nfs/dbraw/zinc/08/34/54/490083454.db2.gz QJCJZMMZSIXVHM-SSDOTTSWSA-N 1 1 195.266 1.822 20 0 ADADMO CO[C@@]1(C)CCC[N@@H+](CC(C)=O)C1 230275528 490084208 /nfs/dbraw/zinc/08/42/08/490084208.db2.gz XSEROYCWKWQPQH-JTQLQIEISA-N 1 1 185.267 1.076 20 0 ADADMO CC[N@@H+](CC1CCC1)CC(C)(C)N 230321099 490084442 /nfs/dbraw/zinc/08/44/42/490084442.db2.gz SSIHBQHCGMLITF-UHFFFAOYSA-N 1 1 184.327 1.846 20 0 ADADMO CCN(CC1CCC1)CC(C)(C)[NH3+] 230321099 490084448 /nfs/dbraw/zinc/08/44/48/490084448.db2.gz SSIHBQHCGMLITF-UHFFFAOYSA-N 1 1 184.327 1.846 20 0 ADADMO CO[C@]1(C)CCC[N@@H+](CC(C)=O)C1 230275531 490084614 /nfs/dbraw/zinc/08/46/14/490084614.db2.gz XSEROYCWKWQPQH-SNVBAGLBSA-N 1 1 185.267 1.076 20 0 ADADMO CCC[N@H+]1CCCC[C@@H]1COC 231393077 490085301 /nfs/dbraw/zinc/08/53/01/490085301.db2.gz SIAABQDAVBWGMG-SNVBAGLBSA-N 1 1 171.284 1.897 20 0 ADADMO CCC[N@H+]1CCCC[C@H]1COC 231393105 490085334 /nfs/dbraw/zinc/08/53/34/490085334.db2.gz SIAABQDAVBWGMG-JTQLQIEISA-N 1 1 171.284 1.897 20 0 ADADMO C[C@@H]1CC[C@H](C[N@H+]2CC[C@](C)(O)C2)O1 300029594 490089204 /nfs/dbraw/zinc/08/92/04/490089204.db2.gz LKCUINGUEVPZAY-MXWKQRLJSA-N 1 1 199.294 1.011 20 0 ADADMO C[C@]1(O)CCC[N@H+]([C@H]2CCCOC2)C1 300215190 490089237 /nfs/dbraw/zinc/08/92/37/490089237.db2.gz QGWJOHLAIQKQSE-QWRGUYRKSA-N 1 1 199.294 1.012 20 0 ADADMO C[C@@H]1CC[C@@H](C[N@H+]2CC[C@](C)(O)C2)O1 300029595 490089450 /nfs/dbraw/zinc/08/94/50/490089450.db2.gz LKCUINGUEVPZAY-VWYCJHECSA-N 1 1 199.294 1.011 20 0 ADADMO C[C@@]1(O)CCC[N@H+]([C@H]2CCCOC2)C1 300215191 490089514 /nfs/dbraw/zinc/08/95/14/490089514.db2.gz QGWJOHLAIQKQSE-WDEREUQCSA-N 1 1 199.294 1.012 20 0 ADADMO CC[C@H](C)C[N@@H+]1CC[C@](C)(CN)C1 300351610 490092509 /nfs/dbraw/zinc/09/25/09/490092509.db2.gz BWUMGXRTXQFVBD-WDEREUQCSA-N 1 1 184.327 1.703 20 0 ADADMO CC[C@H](C)C[N@H+]1CC[C@](C)(CN)C1 300351610 490092512 /nfs/dbraw/zinc/09/25/12/490092512.db2.gz BWUMGXRTXQFVBD-WDEREUQCSA-N 1 1 184.327 1.703 20 0 ADADMO CC[C@@H](C)C[N@@H+]1CC[C@](C)(CN)C1 300351609 490092541 /nfs/dbraw/zinc/09/25/41/490092541.db2.gz BWUMGXRTXQFVBD-GHMZBOCLSA-N 1 1 184.327 1.703 20 0 ADADMO CC[C@@H](C)C[N@H+]1CC[C@](C)(CN)C1 300351609 490092544 /nfs/dbraw/zinc/09/25/44/490092544.db2.gz BWUMGXRTXQFVBD-GHMZBOCLSA-N 1 1 184.327 1.703 20 0 ADADMO CCC[C@H](C)[N@H+]1CCC[C@H](CO)C1 300332820 490092738 /nfs/dbraw/zinc/09/27/38/490092738.db2.gz YAKOJMJIEJZXEH-QWRGUYRKSA-N 1 1 185.311 1.879 20 0 ADADMO CCC[C@@H](C)[N@H+]1CCC[C@H](CO)C1 300332819 490092791 /nfs/dbraw/zinc/09/27/91/490092791.db2.gz YAKOJMJIEJZXEH-MNOVXSKESA-N 1 1 185.311 1.879 20 0 ADADMO CCC(=O)N1CCC[N@H+](C)C[C@H]1CC 300355312 490092802 /nfs/dbraw/zinc/09/28/02/490092802.db2.gz NNVLNJFHBCJCGJ-SNVBAGLBSA-N 1 1 198.310 1.339 20 0 ADADMO CC(C)C[C@H](C)C[N@H+]1CCN[C@@H](C)C1 300717183 490097913 /nfs/dbraw/zinc/09/79/13/490097913.db2.gz NCOOGAGHEUPMIN-RYUDHWBXSA-N 1 1 198.354 1.962 20 0 ADADMO CC(C)C[C@H](C)CN1CC[NH2+][C@@H](C)C1 300717183 490097918 /nfs/dbraw/zinc/09/79/18/490097918.db2.gz NCOOGAGHEUPMIN-RYUDHWBXSA-N 1 1 198.354 1.962 20 0 ADADMO CC(C)C[C@@H](C)C[N@H+]1CCN[C@@H](C)C1 300717181 490097942 /nfs/dbraw/zinc/09/79/42/490097942.db2.gz NCOOGAGHEUPMIN-NEPJUHHUSA-N 1 1 198.354 1.962 20 0 ADADMO CC(C)C[C@@H](C)CN1CC[NH2+][C@@H](C)C1 300717181 490097945 /nfs/dbraw/zinc/09/79/45/490097945.db2.gz NCOOGAGHEUPMIN-NEPJUHHUSA-N 1 1 198.354 1.962 20 0 ADADMO C[C@H](CO)[N@@H+](C)CCC1CCCC1 300717178 490098043 /nfs/dbraw/zinc/09/80/43/490098043.db2.gz NBDLMJRQIYDQKE-SNVBAGLBSA-N 1 1 185.311 1.879 20 0 ADADMO CC(C)C[C@@H](C)C[N@H+]1CCN[C@H](C)C1 300717184 490098085 /nfs/dbraw/zinc/09/80/85/490098085.db2.gz NCOOGAGHEUPMIN-VXGBXAGGSA-N 1 1 198.354 1.962 20 0 ADADMO CC(C)C[C@@H](C)CN1CC[NH2+][C@H](C)C1 300717184 490098091 /nfs/dbraw/zinc/09/80/91/490098091.db2.gz NCOOGAGHEUPMIN-VXGBXAGGSA-N 1 1 198.354 1.962 20 0 ADADMO CC(C)C[C@H](C)C[N@H+]1CCN[C@H](C)C1 300717182 490098117 /nfs/dbraw/zinc/09/81/17/490098117.db2.gz NCOOGAGHEUPMIN-NWDGAFQWSA-N 1 1 198.354 1.962 20 0 ADADMO CC(C)C[C@H](C)CN1CC[NH2+][C@H](C)C1 300717182 490098126 /nfs/dbraw/zinc/09/81/26/490098126.db2.gz NCOOGAGHEUPMIN-NWDGAFQWSA-N 1 1 198.354 1.962 20 0 ADADMO C[N@@H+](CCO)CCCC(C)(C)C 300754279 490099522 /nfs/dbraw/zinc/09/95/22/490099522.db2.gz IUGFQRWHHOOICK-UHFFFAOYSA-N 1 1 173.300 1.737 20 0 ADADMO CC[N@@H+](CCN)[C@@H](C)C(C)C 300751298 490099552 /nfs/dbraw/zinc/09/95/52/490099552.db2.gz GWBDKYRUPXYDTJ-VIFPVBQESA-N 1 1 158.289 1.312 20 0 ADADMO CC[N@@H+](CCN)[C@H](C)C(C)C 300751296 490099593 /nfs/dbraw/zinc/09/95/93/490099593.db2.gz GWBDKYRUPXYDTJ-SECBINFHSA-N 1 1 158.289 1.312 20 0 ADADMO C[N@@H+](CCCO)CCC1CC1 300749610 490099700 /nfs/dbraw/zinc/09/97/00/490099700.db2.gz FUZBBECUQDFILX-UHFFFAOYSA-N 1 1 157.257 1.101 20 0 ADADMO C[N@@H+](CCCO)CCOC(C)(C)C 300765348 490099764 /nfs/dbraw/zinc/09/97/64/490099764.db2.gz RMYURZFHXNQFII-UHFFFAOYSA-N 1 1 189.299 1.116 20 0 ADADMO C[N@@H+](CCCO)Cc1cccc(O)c1 300769003 490101091 /nfs/dbraw/zinc/10/10/91/490101091.db2.gz XSVFGAHFQDLMOR-UHFFFAOYSA-N 1 1 195.262 1.206 20 0 ADADMO CC(C)(C)CCC[N@H+]1CC[C@H](O)C1 300784798 490101227 /nfs/dbraw/zinc/10/12/27/490101227.db2.gz WTTGHKOOQUCKDN-JTQLQIEISA-N 1 1 185.311 1.879 20 0 ADADMO CC(C)(C)CCC[N@H+]1CC[C@@H](O)C1 300784800 490102393 /nfs/dbraw/zinc/10/23/93/490102393.db2.gz WTTGHKOOQUCKDN-SNVBAGLBSA-N 1 1 185.311 1.879 20 0 ADADMO CC(C)C[C@H](C)C[N@@H+](C)C[C@H](C)O 300879459 490106996 /nfs/dbraw/zinc/10/69/96/490106996.db2.gz IQWCAVLHYZZDTL-QWRGUYRKSA-N 1 1 187.327 1.981 20 0 ADADMO CC(C)C[C@@H](C)C[N@@H+](C)C[C@H](C)O 300879457 490107156 /nfs/dbraw/zinc/10/71/56/490107156.db2.gz IQWCAVLHYZZDTL-MNOVXSKESA-N 1 1 187.327 1.981 20 0 ADADMO CC(C)C[C@H](C)C[N@H+]1CC[C@H](CO)C1 300900778 490107984 /nfs/dbraw/zinc/10/79/84/490107984.db2.gz KXHOMLDJYWYHIL-RYUDHWBXSA-N 1 1 199.338 1.983 20 0 ADADMO CC(C)C[C@@H](C)C[N@H+]1CC[C@@H](CO)C1 300900779 490108155 /nfs/dbraw/zinc/10/81/55/490108155.db2.gz KXHOMLDJYWYHIL-VXGBXAGGSA-N 1 1 199.338 1.983 20 0 ADADMO CC(C)C[C@H](C)C[N@H+]1CC[C@@H](CO)C1 300900776 490108564 /nfs/dbraw/zinc/10/85/64/490108564.db2.gz KXHOMLDJYWYHIL-NWDGAFQWSA-N 1 1 199.338 1.983 20 0 ADADMO CC(C)C[C@@H](C)C[N@H+]1CC[C@H](CO)C1 300900774 490108696 /nfs/dbraw/zinc/10/86/96/490108696.db2.gz KXHOMLDJYWYHIL-NEPJUHHUSA-N 1 1 199.338 1.983 20 0 ADADMO CC(C)C[C@@H](C)C[N@@H+](C)[C@H](C)CO 300927498 490109892 /nfs/dbraw/zinc/10/98/92/490109892.db2.gz NLOYJYLEQXADPF-GHMZBOCLSA-N 1 1 187.327 1.981 20 0 ADADMO CC(C)C[C@H](C)C[N@@H+](C)[C@H](C)CO 300927505 490109970 /nfs/dbraw/zinc/10/99/70/490109970.db2.gz NLOYJYLEQXADPF-WDEREUQCSA-N 1 1 187.327 1.981 20 0 ADADMO CC[N@@H+](CCO)C[C@H](C)CC(C)C 300934512 490111541 /nfs/dbraw/zinc/11/15/41/490111541.db2.gz OBOLBAWFALSDGD-LLVKDONJSA-N 1 1 187.327 1.983 20 0 ADADMO CC[N@@H+](CCO)C[C@@H](C)CC(C)C 300934513 490111722 /nfs/dbraw/zinc/11/17/22/490111722.db2.gz OBOLBAWFALSDGD-NSHDSACASA-N 1 1 187.327 1.983 20 0 ADADMO CC(C)C[C@@H](C)C[N@H+]1CC[C@@H](O)C1 301007572 490112827 /nfs/dbraw/zinc/11/28/27/490112827.db2.gz YECDLZIYKQXDFK-GHMZBOCLSA-N 1 1 185.311 1.735 20 0 ADADMO CC(C)C[C@H](C)C[N@H+]1CC[C@@H](O)C1 301007579 490112840 /nfs/dbraw/zinc/11/28/40/490112840.db2.gz YECDLZIYKQXDFK-WDEREUQCSA-N 1 1 185.311 1.735 20 0 ADADMO CC(C)C[C@@H](C)C[N@H+]1CC[C@H](O)C1 301007574 490112857 /nfs/dbraw/zinc/11/28/57/490112857.db2.gz YECDLZIYKQXDFK-MNOVXSKESA-N 1 1 185.311 1.735 20 0 ADADMO CC(C)C[C@H](C)C[N@@H+](C)CCO 301007434 490112977 /nfs/dbraw/zinc/11/29/77/490112977.db2.gz YCURYUZXOSXSIK-JTQLQIEISA-N 1 1 173.300 1.593 20 0 ADADMO CC(C)C[C@H](C)C[N@H+]1CC[C@H](O)C1 301007576 490113064 /nfs/dbraw/zinc/11/30/64/490113064.db2.gz YECDLZIYKQXDFK-QWRGUYRKSA-N 1 1 185.311 1.735 20 0 ADADMO 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/nfs/dbraw/zinc/83/22/54/697832254.db2.gz QLIQNGVVGZLMHN-PJKNHULFSA-N 1 1 189.686 1.442 20 0 ADADMO C[C@H](O)[C@@H]1CC[N@@H+](C/C=C\Cl)C1 379338837 697832360 /nfs/dbraw/zinc/83/23/60/697832360.db2.gz QLIQNGVVGZLMHN-IVSKAITFSA-N 1 1 189.686 1.442 20 0 ADADMO CCOC(=O)/C=C\C[N@@H+](C)CC1CC1 379340686 697832675 /nfs/dbraw/zinc/83/26/75/697832675.db2.gz WQCOZMLKZXIENP-PLNGDYQASA-N 1 1 197.278 1.448 20 0 ADADMO CCOC(=O)/C=C\C[N@@H+](CC)C(C)C 379340701 697832793 /nfs/dbraw/zinc/83/27/93/697832793.db2.gz XPCGPCLFSWBCJJ-FPLPWBNLSA-N 1 1 199.294 1.836 20 0 ADADMO C[C@H]1CC[C@@H]1[NH2+][C@H](C)CCN(C)C 379345965 697833228 /nfs/dbraw/zinc/83/32/28/697833228.db2.gz DQNCMGVONDXLFS-AXFHLTTASA-N 1 1 184.327 1.715 20 0 ADADMO C[C@H]1CC[C@H]1[NH2+][C@H](C)CCN(C)C 379345967 697833269 /nfs/dbraw/zinc/83/32/69/697833269.db2.gz DQNCMGVONDXLFS-HBNTYKKESA-N 1 1 184.327 1.715 20 0 ADADMO C[C@H](CCN(C)C)[NH2+][C@@H]1CC[C@H]1C 379345966 697833476 /nfs/dbraw/zinc/83/34/76/697833476.db2.gz 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O[C@@H]1CCC[N@@H+](CCCC2CC2)C1 379358560 697839648 /nfs/dbraw/zinc/83/96/48/697839648.db2.gz VRIWCQUFQXIBGI-LLVKDONJSA-N 1 1 183.295 1.633 20 0 ADADMO O[C@H]1CCC[N@@H+](CCCC2CC2)C1 379358561 697839748 /nfs/dbraw/zinc/83/97/48/697839748.db2.gz VRIWCQUFQXIBGI-NSHDSACASA-N 1 1 183.295 1.633 20 0 ADADMO CCC[N@@H+](CC)Cn1cc[nH]c1=S 379359176 697840308 /nfs/dbraw/zinc/84/03/08/697840308.db2.gz XOGIMIFWNIDLOQ-UHFFFAOYSA-N 1 1 199.323 1.861 20 0 ADADMO CC[N@@H+](CCCCO)C[C@@H](C)OC 379360783 697842049 /nfs/dbraw/zinc/84/20/49/697842049.db2.gz CUUNKYOFNXGAEZ-SNVBAGLBSA-N 1 1 189.299 1.116 20 0 ADADMO CC[N@@H+](CCCCO)C[C@H](C)OC 379360782 697842152 /nfs/dbraw/zinc/84/21/52/697842152.db2.gz CUUNKYOFNXGAEZ-JTQLQIEISA-N 1 1 189.299 1.116 20 0 ADADMO COC(C[N@@H+]1CC=C(C)CC1)OC 379364176 697844413 /nfs/dbraw/zinc/84/44/13/697844413.db2.gz LTUVHVXUCUONNQ-UHFFFAOYSA-N 1 1 185.267 1.257 20 0 ADADMO CC[N@@H+](C)C[C@H]1CCN(CCF)C1 379365375 697845058 /nfs/dbraw/zinc/84/50/58/697845058.db2.gz OTKIMEYTSKXIGP-SNVBAGLBSA-N 1 1 188.290 1.230 20 0 ADADMO CC[N@@H+](C)C[C@@H]1CCN(CCF)C1 379365373 697845114 /nfs/dbraw/zinc/84/51/14/697845114.db2.gz OTKIMEYTSKXIGP-JTQLQIEISA-N 1 1 188.290 1.230 20 0 ADADMO CCC(=O)OCCn1cc[nH+]c1C 379366821 697845442 /nfs/dbraw/zinc/84/54/42/697845442.db2.gz LINUEMSQWOWHIX-UHFFFAOYSA-N 1 1 182.223 1.145 20 0 ADADMO CC(C)C[N@@H+](C)C[C@H](N)CC(F)F 379367125 697846000 /nfs/dbraw/zinc/84/60/00/697846000.db2.gz LXDFECWWOGSFER-MRVPVSSYSA-N 1 1 194.269 1.557 20 0 ADADMO CC(C)CN(C)C[C@H]([NH3+])CC(F)F 379367125 697846007 /nfs/dbraw/zinc/84/60/07/697846007.db2.gz LXDFECWWOGSFER-MRVPVSSYSA-N 1 1 194.269 1.557 20 0 ADADMO CC(C)C[N@@H+](C)C[C@@H](N)CC(F)F 379367126 697846114 /nfs/dbraw/zinc/84/61/14/697846114.db2.gz LXDFECWWOGSFER-QMMMGPOBSA-N 1 1 194.269 1.557 20 0 ADADMO CC(C)CN(C)C[C@@H]([NH3+])CC(F)F 379367126 697846118 /nfs/dbraw/zinc/84/61/18/697846118.db2.gz LXDFECWWOGSFER-QMMMGPOBSA-N 1 1 194.269 1.557 20 0 ADADMO CCC(=O)CC[N@@H+]1C[C@@H](C)[C@@H](C)C1 379367893 697846586 /nfs/dbraw/zinc/84/65/86/697846586.db2.gz NCEFFCNFWQZSPJ-AOOOYVTPSA-N 1 1 183.295 1.943 20 0 ADADMO CCCCC[N@H+]1CCN(C)[C@H](C)C1 379373300 697849704 /nfs/dbraw/zinc/84/97/04/697849704.db2.gz LABPWNRLHIVXCO-LLVKDONJSA-N 1 1 184.327 1.813 20 0 ADADMO CCC[N@@H+](CC)C[C@H](N)CC(F)F 379372752 697849756 /nfs/dbraw/zinc/84/97/56/697849756.db2.gz VWBOOTAPCQZQEX-MRVPVSSYSA-N 1 1 194.269 1.701 20 0 ADADMO CCCN(CC)C[C@H]([NH3+])CC(F)F 379372752 697849759 /nfs/dbraw/zinc/84/97/59/697849759.db2.gz VWBOOTAPCQZQEX-MRVPVSSYSA-N 1 1 194.269 1.701 20 0 ADADMO CCC[N@@H+](CC)C[C@@H](N)CC(F)F 379372774 697849764 /nfs/dbraw/zinc/84/97/64/697849764.db2.gz VWBOOTAPCQZQEX-QMMMGPOBSA-N 1 1 194.269 1.701 20 0 ADADMO CCCN(CC)C[C@@H]([NH3+])CC(F)F 379372774 697849767 /nfs/dbraw/zinc/84/97/67/697849767.db2.gz VWBOOTAPCQZQEX-QMMMGPOBSA-N 1 1 194.269 1.701 20 0 ADADMO CCCCC[N@H+]1CCN(C)[C@@H](C)C1 379373301 697849998 /nfs/dbraw/zinc/84/99/98/697849998.db2.gz LABPWNRLHIVXCO-NSHDSACASA-N 1 1 184.327 1.813 20 0 ADADMO CCC[N@@H+](Cn1cnnc1)C1CC1 379374352 697850385 /nfs/dbraw/zinc/85/03/85/697850385.db2.gz MSPBDWWVGMBPJY-UHFFFAOYSA-N 1 1 180.255 1.110 20 0 ADADMO CCC[N@H+](C)Cn1cccnc1=S 379374518 697850575 /nfs/dbraw/zinc/85/05/75/697850575.db2.gz MZZAKBHWFGJNOP-UHFFFAOYSA-N 1 1 197.307 1.912 20 0 ADADMO CCC[N@@H+](C)Cn1cccnc1=S 379374518 697850581 /nfs/dbraw/zinc/85/05/81/697850581.db2.gz MZZAKBHWFGJNOP-UHFFFAOYSA-N 1 1 197.307 1.912 20 0 ADADMO CC[N@@H+](Cn1cnnc1)C1CCC1 379375925 697851494 /nfs/dbraw/zinc/85/14/94/697851494.db2.gz RCOWJIRNPAGKCY-UHFFFAOYSA-N 1 1 180.255 1.110 20 0 ADADMO CC[N@H+](Cn1cc[nH]c1=S)C1CC1 379376056 697851702 /nfs/dbraw/zinc/85/17/02/697851702.db2.gz RRFXQTVTSMEPJP-UHFFFAOYSA-N 1 1 197.307 1.614 20 0 ADADMO CC[N@@H+](Cn1cc[nH]c1=S)C1CC1 379376056 697851709 /nfs/dbraw/zinc/85/17/09/697851709.db2.gz RRFXQTVTSMEPJP-UHFFFAOYSA-N 1 1 197.307 1.614 20 0 ADADMO CCOCCO[NH+]=C(N)CC(C)C 379376923 697852750 /nfs/dbraw/zinc/85/27/50/697852750.db2.gz VOEFSUIQTABCTJ-UHFFFAOYSA-N 1 1 188.271 1.567 20 0 ADADMO CC1(CC[NH2+]Cc2c[nH]cn2)CC1 379379243 697854889 /nfs/dbraw/zinc/85/48/89/697854889.db2.gz BLEKTYCSLKWJKF-UHFFFAOYSA-N 1 1 179.267 1.690 20 0 ADADMO C[N@@H+](CC1CC1)Cn1cc(Cl)cn1 379380757 697856927 /nfs/dbraw/zinc/85/69/27/697856927.db2.gz CHCZGTZZEMVDNB-UHFFFAOYSA-N 1 1 199.685 1.836 20 0 ADADMO CC/C=C\CCO[NH+]=C(N)CCO 379381051 697857079 /nfs/dbraw/zinc/85/70/79/697857079.db2.gz GBZSDSPCPJBUQF-ARJAWSKDSA-N 1 1 186.255 1.224 20 0 ADADMO CC/C=C/CCO[NH+]=C(N)CCO 379381052 697857129 /nfs/dbraw/zinc/85/71/29/697857129.db2.gz GBZSDSPCPJBUQF-ONEGZZNKSA-N 1 1 186.255 1.224 20 0 ADADMO C[C@@H](CC1CC1)[NH2+][C@H]1CCOC1=O 379381309 697857095 /nfs/dbraw/zinc/85/70/95/697857095.db2.gz GSNFPJVLIOEAEP-CBAPKCEASA-N 1 1 183.251 1.080 20 0 ADADMO C[C@H](CC1CC1)[NH2+][C@H]1CCOC1=O 379381308 697857175 /nfs/dbraw/zinc/85/71/75/697857175.db2.gz GSNFPJVLIOEAEP-APPZFPTMSA-N 1 1 183.251 1.080 20 0 ADADMO CC[N@@H+](Cc1cnnn1C)C(C)C 379382796 697858607 /nfs/dbraw/zinc/85/86/07/697858607.db2.gz JKHJQWPHHWGQEB-UHFFFAOYSA-N 1 1 182.271 1.045 20 0 ADADMO CC[N@@H+](CCC(C)C)CC(=O)NC 379385605 697861434 /nfs/dbraw/zinc/86/14/34/697861434.db2.gz UMNRSTIBZBWVMI-UHFFFAOYSA-N 1 1 186.299 1.100 20 0 ADADMO CCOCO[C@H](C)Cc1[nH]cc[nH+]1 379385429 697861474 /nfs/dbraw/zinc/86/14/74/697861474.db2.gz SWUPTJGCGATYHR-MRVPVSSYSA-N 1 1 184.239 1.351 20 0 ADADMO CCOCO[C@@H](C)Cc1[nH]cc[nH+]1 379385430 697861495 /nfs/dbraw/zinc/86/14/95/697861495.db2.gz SWUPTJGCGATYHR-QMMMGPOBSA-N 1 1 184.239 1.351 20 0 ADADMO COC(C[N@H+]1[C@@H](C)CC[C@H]1C)OC 379389013 697864624 /nfs/dbraw/zinc/86/46/24/697864624.db2.gz KRTVSZBDHKWTNG-DTORHVGOSA-N 1 1 187.283 1.478 20 0 ADADMO CN(CCF)C[C@@H]1CCC[N@@H+](C)C1 379389780 697865156 /nfs/dbraw/zinc/86/51/56/697865156.db2.gz MHJQFCIFQLMIFA-SNVBAGLBSA-N 1 1 188.290 1.230 20 0 ADADMO CO[C@H](C)CO[NH+]=C(N)CC1CC1 379389906 697865319 /nfs/dbraw/zinc/86/53/19/697865319.db2.gz MPBRYNIQYDPRQX-SSDOTTSWSA-N 1 1 186.255 1.320 20 0 ADADMO CO[C@@H](C)CO[NH+]=C(N)CC1CC1 379389907 697865339 /nfs/dbraw/zinc/86/53/39/697865339.db2.gz MPBRYNIQYDPRQX-ZETCQYMHSA-N 1 1 186.255 1.320 20 0 ADADMO CN(CCF)C[C@H]1CCC[N@@H+](C)C1 379389779 697865377 /nfs/dbraw/zinc/86/53/77/697865377.db2.gz MHJQFCIFQLMIFA-JTQLQIEISA-N 1 1 188.290 1.230 20 0 ADADMO CC[N@H+](CCF)Cc1ccccn1 379391231 697866493 /nfs/dbraw/zinc/86/64/93/697866493.db2.gz PGHWSLOUPHTNKI-UHFFFAOYSA-N 1 1 182.242 1.873 20 0 ADADMO CC[N@@H+](CCF)Cc1ccccn1 379391231 697866499 /nfs/dbraw/zinc/86/64/99/697866499.db2.gz PGHWSLOUPHTNKI-UHFFFAOYSA-N 1 1 182.242 1.873 20 0 ADADMO CC(C)CCCO[NH+]=C(N)CCO 379391260 697866806 /nfs/dbraw/zinc/86/68/06/697866806.db2.gz PHQSFDPGETTYHQ-UHFFFAOYSA-N 1 1 188.271 1.303 20 0 ADADMO CCC(=O)CC[N@@H+]1CCOC[C@@H]1C 379393238 697868806 /nfs/dbraw/zinc/86/88/06/697868806.db2.gz UFLBBISSQRQFAY-VIFPVBQESA-N 1 1 185.267 1.076 20 0 ADADMO CCC(=O)CC[N@H+]1CCOC[C@@H]1C 379393238 697868811 /nfs/dbraw/zinc/86/88/11/697868811.db2.gz UFLBBISSQRQFAY-VIFPVBQESA-N 1 1 185.267 1.076 20 0 ADADMO CC(C)CC[N@@H+](C)Cn1cnnc1 379393580 697868945 /nfs/dbraw/zinc/86/89/45/697868945.db2.gz VDIANYLTWLCMIQ-UHFFFAOYSA-N 1 1 182.271 1.214 20 0 ADADMO CCC[N@@H+](CC[N+](=O)[O-])CC1CC1 379395002 697870538 /nfs/dbraw/zinc/87/05/38/697870538.db2.gz YNFRIALXUJXMMQ-UHFFFAOYSA-N 1 1 186.255 1.385 20 0 ADADMO COCC[N@@H+](C)C[C@@H]1CCC=CO1 379395624 697870949 /nfs/dbraw/zinc/87/09/49/697870949.db2.gz BRSNTIBHROKGQP-JTQLQIEISA-N 1 1 185.267 1.257 20 0 ADADMO COCC[N@@H+](C)C[C@H]1CCC=CO1 379395625 697871048 /nfs/dbraw/zinc/87/10/48/697871048.db2.gz BRSNTIBHROKGQP-SNVBAGLBSA-N 1 1 185.267 1.257 20 0 ADADMO CON(C)CCCn1cc[nH+]c1C 379397474 697872310 /nfs/dbraw/zinc/87/23/10/697872310.db2.gz NWQZPXJMJRGQFB-UHFFFAOYSA-N 1 1 183.255 1.075 20 0 ADADMO CCCC[N@@H+](C)CN1CCCC1=O 379398654 697873407 /nfs/dbraw/zinc/87/34/07/697873407.db2.gz XLBJUMSPCNHJFZ-UHFFFAOYSA-N 1 1 184.283 1.298 20 0 ADADMO CCCCCC[N@@H+](C)CCC(N)=O 379399993 697875163 /nfs/dbraw/zinc/87/51/63/697875163.db2.gz 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698023895 /nfs/dbraw/zinc/02/38/95/698023895.db2.gz ZNYOTBYKFQZKAH-QWRGUYRKSA-N 1 1 185.311 1.879 20 0 ADADMO CCCCCC[N@H+]1C[C@@H](C)[C@@H](O)C1 393712953 698023970 /nfs/dbraw/zinc/02/39/70/698023970.db2.gz ZNYOTBYKFQZKAH-MNOVXSKESA-N 1 1 185.311 1.879 20 0 ADADMO CC(C)CC[N@@H+](C)[C@H]1CCOC1=O 393713937 698024025 /nfs/dbraw/zinc/02/40/25/698024025.db2.gz GCEXXJYSXOFTNY-VIFPVBQESA-N 1 1 185.267 1.280 20 0 ADADMO CC(C)CCC(N)=[NH+]OCCCO 393715242 698024521 /nfs/dbraw/zinc/02/45/21/698024521.db2.gz MVCXTNCEUIGMLA-UHFFFAOYSA-N 1 1 188.271 1.303 20 0 ADADMO CSCO[C@H](C)Cc1[nH]cc[nH+]1 393954740 698029242 /nfs/dbraw/zinc/02/92/42/698029242.db2.gz VDZGXBCHLZICOF-SSDOTTSWSA-N 1 1 186.280 1.678 20 0 ADADMO CSCO[C@@H](C)Cc1[nH]cc[nH+]1 393954741 698029382 /nfs/dbraw/zinc/02/93/82/698029382.db2.gz VDZGXBCHLZICOF-ZETCQYMHSA-N 1 1 186.280 1.678 20 0 ADADMO C[C@H]1[C@@H](C)[NH2+]CCN1CCCC1CC1 394509036 698030980 /nfs/dbraw/zinc/03/09/80/698030980.db2.gz XWMIBVOPQGNZRZ-MNOVXSKESA-N 1 1 196.338 1.859 20 0 ADADMO C[C@H]1C[N@@H+](CCCC2CC2)C[C@@H](C)N1 394482471 698030496 /nfs/dbraw/zinc/03/04/96/698030496.db2.gz UHQICMOYPRBGKC-PHIMTYICSA-N 1 1 196.338 1.859 20 0 ADADMO C[C@H]1CN(CCCC2CC2)C[C@@H](C)[NH2+]1 394482471 698030501 /nfs/dbraw/zinc/03/05/01/698030501.db2.gz UHQICMOYPRBGKC-PHIMTYICSA-N 1 1 196.338 1.859 20 0 ADADMO NC[C@H]1CCC[N@H+]1CCCC1CC1 394488215 698030531 /nfs/dbraw/zinc/03/05/31/698030531.db2.gz XLOHMAZVSBYXBE-LLVKDONJSA-N 1 1 182.311 1.600 20 0 ADADMO C[N@@H+](CCCC1CC1)[C@H](CN)C1CC1 394469791 698030603 /nfs/dbraw/zinc/03/06/03/698030603.db2.gz BLKLDSGARZXVAH-GFCCVEGCSA-N 1 1 196.338 1.846 20 0 ADADMO CN(CCCC1CC1)[C@H](C[NH3+])C1CC1 394469791 698030606 /nfs/dbraw/zinc/03/06/06/698030606.db2.gz BLKLDSGARZXVAH-GFCCVEGCSA-N 1 1 196.338 1.846 20 0 ADADMO C[C@@H](CN)[N@@H+](C)CCCC1CC1 394488479 698030810 /nfs/dbraw/zinc/03/08/10/698030810.db2.gz IWYHPSPFBGIFIO-VIFPVBQESA-N 1 1 170.300 1.456 20 0 ADADMO C[C@@H](C[NH3+])N(C)CCCC1CC1 394488479 698030813 /nfs/dbraw/zinc/03/08/13/698030813.db2.gz IWYHPSPFBGIFIO-VIFPVBQESA-N 1 1 170.300 1.456 20 0 ADADMO C[C@H]([NH3+])CN(C)CCCC1CC1 394430511 698030852 /nfs/dbraw/zinc/03/08/52/698030852.db2.gz DUEKYZBSSVGUQG-VIFPVBQESA-N 1 1 170.300 1.456 20 0 ADADMO C[C@H](N)C[N@H+](C)CCCC1CC1 394430511 698030858 /nfs/dbraw/zinc/03/08/58/698030858.db2.gz DUEKYZBSSVGUQG-VIFPVBQESA-N 1 1 170.300 1.456 20 0 ADADMO C[C@H](N)C[N@@H+](C)CCCC1CC1 394430511 698030862 /nfs/dbraw/zinc/03/08/62/698030862.db2.gz DUEKYZBSSVGUQG-VIFPVBQESA-N 1 1 170.300 1.456 20 0 ADADMO CC[N@@H+](CCN)CCCC1CC1 394438097 698030877 /nfs/dbraw/zinc/03/08/77/698030877.db2.gz IZVVGBOZBRUBLA-UHFFFAOYSA-N 1 1 170.300 1.457 20 0 ADADMO CCN(CC[NH3+])CCCC1CC1 394438097 698030882 /nfs/dbraw/zinc/03/08/82/698030882.db2.gz IZVVGBOZBRUBLA-UHFFFAOYSA-N 1 1 170.300 1.457 20 0 ADADMO C[C@@H]1CN(CCCC2CC2)C[C@@H](C)[NH2+]1 394482470 698030832 /nfs/dbraw/zinc/03/08/32/698030832.db2.gz UHQICMOYPRBGKC-GHMZBOCLSA-N 1 1 196.338 1.859 20 0 ADADMO CC1(C)CNCC[N@H+]1CCCC1CC1 394474979 698030898 /nfs/dbraw/zinc/03/08/98/698030898.db2.gz OSJXGGJPYXVRCR-UHFFFAOYSA-N 1 1 196.338 1.860 20 0 ADADMO CC1(C)C[NH2+]CCN1CCCC1CC1 394474979 698030902 /nfs/dbraw/zinc/03/09/02/698030902.db2.gz OSJXGGJPYXVRCR-UHFFFAOYSA-N 1 1 196.338 1.860 20 0 ADADMO C[N@@H+](CCCC1CC1)[C@@H](CN)C1CC1 394469793 698030920 /nfs/dbraw/zinc/03/09/20/698030920.db2.gz BLKLDSGARZXVAH-LBPRGKRZSA-N 1 1 196.338 1.846 20 0 ADADMO CN(CCCC1CC1)[C@@H](C[NH3+])C1CC1 394469793 698030925 /nfs/dbraw/zinc/03/09/25/698030925.db2.gz BLKLDSGARZXVAH-LBPRGKRZSA-N 1 1 196.338 1.846 20 0 ADADMO CC[C@H](C)CC[NH2+]Cc1c[nH]cn1 394440257 698030936 /nfs/dbraw/zinc/03/09/36/698030936.db2.gz CSZHLAAPROFGBI-VIFPVBQESA-N 1 1 181.283 1.936 20 0 ADADMO C[C@@H]1C[N@H+](CCCC2CC2)C[C@H]1N 394449486 698030947 /nfs/dbraw/zinc/03/09/47/698030947.db2.gz OFXOOCMONNULGB-MWLCHTKSSA-N 1 1 182.311 1.456 20 0 ADADMO C[C@@H]1C[N@@H+](CCCC2CC2)C[C@H]1N 394449486 698030950 /nfs/dbraw/zinc/03/09/50/698030950.db2.gz OFXOOCMONNULGB-MWLCHTKSSA-N 1 1 182.311 1.456 20 0 ADADMO C[C@@H]1CN(CCCC2CC2)C[C@H]1[NH3+] 394449486 698030955 /nfs/dbraw/zinc/03/09/55/698030955.db2.gz OFXOOCMONNULGB-MWLCHTKSSA-N 1 1 182.311 1.456 20 0 ADADMO C[C@@H]1NCC[N@@H+](CCCC2CC2)[C@H]1C 394509039 698030966 /nfs/dbraw/zinc/03/09/66/698030966.db2.gz XWMIBVOPQGNZRZ-QWRGUYRKSA-N 1 1 196.338 1.859 20 0 ADADMO C[C@@H]1[NH2+]CCN(CCCC2CC2)[C@H]1C 394509039 698030968 /nfs/dbraw/zinc/03/09/68/698030968.db2.gz XWMIBVOPQGNZRZ-QWRGUYRKSA-N 1 1 196.338 1.859 20 0 ADADMO C[C@H]1[C@@H](C)NCC[N@H+]1CCCC1CC1 394509036 698030977 /nfs/dbraw/zinc/03/09/77/698030977.db2.gz XWMIBVOPQGNZRZ-MNOVXSKESA-N 1 1 196.338 1.859 20 0 ADADMO C[N@@H+](CCCC1CC1)C1(CN)CCC1 394506564 698030998 /nfs/dbraw/zinc/03/09/98/698030998.db2.gz WBEXDEKAFPVHMN-UHFFFAOYSA-N 1 1 196.338 1.990 20 0 ADADMO CN(CCCC1CC1)C1(C[NH3+])CCC1 394506564 698031001 /nfs/dbraw/zinc/03/10/01/698031001.db2.gz WBEXDEKAFPVHMN-UHFFFAOYSA-N 1 1 196.338 1.990 20 0 ADADMO C[C@H]1CN(CCCC2CC2)C[C@H](C)[NH2+]1 394482472 698031011 /nfs/dbraw/zinc/03/10/11/698031011.db2.gz UHQICMOYPRBGKC-QWRGUYRKSA-N 1 1 196.338 1.859 20 0 ADADMO COC(=O)C(C)(C)[NH2+]CCCC1CC1 394505780 698031026 /nfs/dbraw/zinc/03/10/26/698031026.db2.gz VHSDGNISAMTTAT-UHFFFAOYSA-N 1 1 199.294 1.718 20 0 ADADMO C[N@H+](CCN)CCCC1CC1 394481910 698031039 /nfs/dbraw/zinc/03/10/39/698031039.db2.gz LTFXWXYDRZALRD-UHFFFAOYSA-N 1 1 156.273 1.067 20 0 ADADMO C[N@@H+](CCN)CCCC1CC1 394481910 698031043 /nfs/dbraw/zinc/03/10/43/698031043.db2.gz LTFXWXYDRZALRD-UHFFFAOYSA-N 1 1 156.273 1.067 20 0 ADADMO CC[C@@H](C)CC[NH2+]Cc1c[nH]cn1 394440256 698031074 /nfs/dbraw/zinc/03/10/74/698031074.db2.gz CSZHLAAPROFGBI-SECBINFHSA-N 1 1 181.283 1.936 20 0 ADADMO C[C@H]1NCC[N@@H+](CCCC2CC2)[C@@H]1C 394509035 698031099 /nfs/dbraw/zinc/03/10/99/698031099.db2.gz XWMIBVOPQGNZRZ-GHMZBOCLSA-N 1 1 196.338 1.859 20 0 ADADMO C[C@H]1[NH2+]CCN(CCCC2CC2)[C@@H]1C 394509035 698031102 /nfs/dbraw/zinc/03/11/02/698031102.db2.gz XWMIBVOPQGNZRZ-GHMZBOCLSA-N 1 1 196.338 1.859 20 0 ADADMO C[C@H](CN)[N@@H+](C)CCCC1CC1 394488477 698031112 /nfs/dbraw/zinc/03/11/12/698031112.db2.gz IWYHPSPFBGIFIO-SECBINFHSA-N 1 1 170.300 1.456 20 0 ADADMO C[C@H](C[NH3+])N(C)CCCC1CC1 394488477 698031115 /nfs/dbraw/zinc/03/11/15/698031115.db2.gz IWYHPSPFBGIFIO-SECBINFHSA-N 1 1 170.300 1.456 20 0 ADADMO NC[C@H]1CCCC[N@H+]1CCCC1CC1 394544075 698031622 /nfs/dbraw/zinc/03/16/22/698031622.db2.gz ZRVPABXCXHUKEE-GFCCVEGCSA-N 1 1 196.338 1.990 20 0 ADADMO [NH3+]C[C@H]1CCCCN1CCCC1CC1 394544075 698031623 /nfs/dbraw/zinc/03/16/23/698031623.db2.gz ZRVPABXCXHUKEE-GFCCVEGCSA-N 1 1 196.338 1.990 20 0 ADADMO C[C@@H]1NCC[N@@H+](CCCC2CC2)[C@@H]1C 394509040 698031691 /nfs/dbraw/zinc/03/16/91/698031691.db2.gz XWMIBVOPQGNZRZ-WDEREUQCSA-N 1 1 196.338 1.859 20 0 ADADMO C[C@@H]1[NH2+]CCN(CCCC2CC2)[C@@H]1C 394509040 698031695 /nfs/dbraw/zinc/03/16/95/698031695.db2.gz XWMIBVOPQGNZRZ-WDEREUQCSA-N 1 1 196.338 1.859 20 0 ADADMO NC[C@@H]1CCCC[N@H+]1CCCC1CC1 394544077 698031751 /nfs/dbraw/zinc/03/17/51/698031751.db2.gz ZRVPABXCXHUKEE-LBPRGKRZSA-N 1 1 196.338 1.990 20 0 ADADMO [NH3+]C[C@@H]1CCCCN1CCCC1CC1 394544077 698031754 /nfs/dbraw/zinc/03/17/54/698031754.db2.gz ZRVPABXCXHUKEE-LBPRGKRZSA-N 1 1 196.338 1.990 20 0 ADADMO C[C@H](CO)[N@@H+](C)CC1CC(F)(F)C1 394941495 698032224 /nfs/dbraw/zinc/03/22/24/698032224.db2.gz GEQBFIHOPSGHTH-SSDOTTSWSA-N 1 1 193.237 1.344 20 0 ADADMO C[C@@H]([N@@H+](C)C/C=C/Cl)C(C)(C)O 394955012 698032311 /nfs/dbraw/zinc/03/23/11/698032311.db2.gz MONLQXFOSXSBPU-HQZHTGGTSA-N 1 1 191.702 1.830 20 0 ADADMO C[C@@H]([NH2+]C1CC1)c1nc(C2CC2)no1 394843044 698032429 /nfs/dbraw/zinc/03/24/29/698032429.db2.gz GUTYMQGUKRJHSD-ZCFIWIBFSA-N 1 1 193.250 1.760 20 0 ADADMO C[C@H]([N@@H+](C)C/C=C/Cl)C(C)(C)O 394955011 698032469 /nfs/dbraw/zinc/03/24/69/698032469.db2.gz MONLQXFOSXSBPU-GJIOHYHPSA-N 1 1 191.702 1.830 20 0 ADADMO C[C@@H]([N@@H+](C)C/C=C\Cl)C(C)(C)O 394955013 698032530 /nfs/dbraw/zinc/03/25/30/698032530.db2.gz MONLQXFOSXSBPU-RPSMYOMKSA-N 1 1 191.702 1.830 20 0 ADADMO C[C@H]([N@@H+](C)C/C=C\Cl)C(C)(C)O 394955014 698032578 /nfs/dbraw/zinc/03/25/78/698032578.db2.gz MONLQXFOSXSBPU-SLGIHZDVSA-N 1 1 191.702 1.830 20 0 ADADMO C[C@H]([NH2+]C1CC1)c1nc(C2CC2)no1 394843043 698032589 /nfs/dbraw/zinc/03/25/89/698032589.db2.gz GUTYMQGUKRJHSD-LURJTMIESA-N 1 1 193.250 1.760 20 0 ADADMO CCC(CC)c1noc([C@@H](C)[NH3+])n1 395126650 698032936 /nfs/dbraw/zinc/03/29/36/698032936.db2.gz CFQQPCAFCHURPQ-ZCFIWIBFSA-N 1 1 183.255 1.993 20 0 ADADMO CC[C@H](C[NH2+]Cc1cc(C)on1)OC 395213589 698033742 /nfs/dbraw/zinc/03/37/42/698033742.db2.gz WAZOURYMSDBGOA-SNVBAGLBSA-N 1 1 198.266 1.498 20 0 ADADMO CCC(CC)c1noc(C2([NH3+])CC2)n1 395235139 698033768 /nfs/dbraw/zinc/03/37/68/698033768.db2.gz STDSYFCTVNUJJD-UHFFFAOYSA-N 1 1 195.266 1.921 20 0 ADADMO CCC(CC)c1noc(C[NH2+]C)n1 395183459 698033787 /nfs/dbraw/zinc/03/37/87/698033787.db2.gz GVUJSDJSFCVSTR-UHFFFAOYSA-N 1 1 183.255 1.693 20 0 ADADMO CC[C@@H](C[NH2+]Cc1cc(C)on1)OC 395213578 698033831 /nfs/dbraw/zinc/03/38/31/698033831.db2.gz WAZOURYMSDBGOA-JTQLQIEISA-N 1 1 198.266 1.498 20 0 ADADMO CCC(CC)c1noc([C@H](C)[NH3+])n1 395176561 698033864 /nfs/dbraw/zinc/03/38/64/698033864.db2.gz CFQQPCAFCHURPQ-LURJTMIESA-N 1 1 183.255 1.993 20 0 ADADMO C[N@H+]1CCC[C@H]1CSCCCO 395503953 698034227 /nfs/dbraw/zinc/03/42/27/698034227.db2.gz SSEGEBYYPASKSS-VIFPVBQESA-N 1 1 189.324 1.196 20 0 ADADMO CCn1ccnc1C[NH2+]C/C=C/Cl 395431681 698034377 /nfs/dbraw/zinc/03/43/77/698034377.db2.gz GVMSXBBVOYJRSU-ONEGZZNKSA-N 1 1 199.685 1.745 20 0 ADADMO C[N@H+]1CCC[C@@H]1CSCCCO 395503952 698034492 /nfs/dbraw/zinc/03/44/92/698034492.db2.gz SSEGEBYYPASKSS-SECBINFHSA-N 1 1 189.324 1.196 20 0 ADADMO CCn1ccnc1C[NH2+]C/C=C\Cl 395431678 698034533 /nfs/dbraw/zinc/03/45/33/698034533.db2.gz GVMSXBBVOYJRSU-ARJAWSKDSA-N 1 1 199.685 1.745 20 0 ADADMO CC/C=C/C[NH2+][C@@H]1CCCN[C@H]1C 396718140 698037095 /nfs/dbraw/zinc/03/70/95/698037095.db2.gz RXXRAOAPBHVPQY-BXXZLRJFSA-N 1 1 182.311 1.683 20 0 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/nfs/dbraw/zinc/00/68/12/168006812.db2.gz JTZGVDGAZUEZII-NSHDSACASA-N 1 1 184.327 1.716 20 0 ADADMO C[NH2+]C[C@@H]1CCCN1CC(C)C 39781765 168007446 /nfs/dbraw/zinc/00/74/46/168007446.db2.gz NLRRVTDJDXIEAM-JTQLQIEISA-N 1 1 170.300 1.326 20 0 ADADMO C[NH2+]C[C@@H]1CCCN1CCC(C)C 39781769 168007493 /nfs/dbraw/zinc/00/74/93/168007493.db2.gz VHWJGDXJKBIUPE-NSHDSACASA-N 1 1 184.327 1.716 20 0 ADADMO CNC[C@@H]1CCC[N@@H+]1CC1CCCC1 42390544 168007975 /nfs/dbraw/zinc/00/79/75/168007975.db2.gz BLKKFGRFPHUINR-LBPRGKRZSA-N 1 1 196.338 1.860 20 0 ADADMO CNC[C@@H]1CCC[N@H+]1CC1CCCC1 42390544 168007977 /nfs/dbraw/zinc/00/79/77/168007977.db2.gz BLKKFGRFPHUINR-LBPRGKRZSA-N 1 1 196.338 1.860 20 0 ADADMO C[NH2+]C[C@@H]1CCCN1CC1CC1 39781766 168008161 /nfs/dbraw/zinc/00/81/61/168008161.db2.gz RXHLTBXXSFKKCU-JTQLQIEISA-N 1 1 168.284 1.080 20 0 ADADMO C[NH2+]C[C@H]1CCCN1CC(C)C 39781764 168012130 /nfs/dbraw/zinc/01/21/30/168012130.db2.gz NLRRVTDJDXIEAM-SNVBAGLBSA-N 1 1 170.300 1.326 20 0 ADADMO C[NH2+]C[C@H]1CCCN1CCC(C)C 39781768 168012180 /nfs/dbraw/zinc/01/21/80/168012180.db2.gz VHWJGDXJKBIUPE-LLVKDONJSA-N 1 1 184.327 1.716 20 0 ADADMO C[NH2+]C[C@H]1CCCN1CC1CC1 39781767 168012408 /nfs/dbraw/zinc/01/24/08/168012408.db2.gz RXHLTBXXSFKKCU-SNVBAGLBSA-N 1 1 168.284 1.080 20 0 ADADMO CNC[C@H]1CCC[N@@H+]1CC1CCCC1 42390548 168012809 /nfs/dbraw/zinc/01/28/09/168012809.db2.gz BLKKFGRFPHUINR-GFCCVEGCSA-N 1 1 196.338 1.860 20 0 ADADMO CNC[C@H]1CCC[N@H+]1CC1CCCC1 42390548 168012810 /nfs/dbraw/zinc/01/28/10/168012810.db2.gz BLKKFGRFPHUINR-GFCCVEGCSA-N 1 1 196.338 1.860 20 0 ADADMO C[NH2+]Cc1ncc(C(C)C)o1 77260778 168022969 /nfs/dbraw/zinc/02/29/69/168022969.db2.gz RUOHKETXBASIKT-UHFFFAOYSA-N 1 1 154.213 1.517 20 0 ADADMO C[NH2+]Cc1nc(C(C)(C)C)no1 21503732 168023335 /nfs/dbraw/zinc/02/33/35/168023335.db2.gz WXGCENOXJKKTAQ-UHFFFAOYSA-N 1 1 169.228 1.087 20 0 ADADMO C[NH2+]Cc1nc(C2CCCCC2)no1 20552166 168023469 /nfs/dbraw/zinc/02/34/69/168023469.db2.gz YNLRELOQOSULDR-UHFFFAOYSA-N 1 1 195.266 1.837 20 0 ADADMO C[NH2+]Cc1noc(-c2coc(C)c2)n1 161624779 168024775 /nfs/dbraw/zinc/02/47/75/168024775.db2.gz OQOGUSDWRWHAIY-UHFFFAOYSA-N 1 1 193.206 1.357 20 0 ADADMO C[NH2+]Cc1noc(-c2ccsc2)n1 51848658 168024870 /nfs/dbraw/zinc/02/48/70/168024870.db2.gz WORWNASGLLFRHK-UHFFFAOYSA-N 1 1 195.247 1.518 20 0 ADADMO C[NH2+]Cc1noc(-c2ccoc2)n1 51848667 168025986 /nfs/dbraw/zinc/02/59/86/168025986.db2.gz MFQHZSMIOCSQMN-UHFFFAOYSA-N 1 1 179.179 1.049 20 0 ADADMO C[NH2+]Cc1noc(-c2occc2C)n1 51848666 168026095 /nfs/dbraw/zinc/02/60/95/168026095.db2.gz YXJBYJFJGFXQLC-UHFFFAOYSA-N 1 1 193.206 1.357 20 0 ADADMO C[NH2+]Cc1noc(-c2cccs2)n1 49933643 168026462 /nfs/dbraw/zinc/02/64/62/168026462.db2.gz ATWCXSCPXXCJCD-UHFFFAOYSA-N 1 1 195.247 1.518 20 0 ADADMO C[NH2+]Cc1noc(-c2ccc(C)o2)n1 51848734 168027192 /nfs/dbraw/zinc/02/71/92/168027192.db2.gz LEGYKVWARLWHEU-UHFFFAOYSA-N 1 1 193.206 1.357 20 0 ADADMO C[NH2+][C@@H](C)c1nc(C(C)(C)C)no1 55351851 168033964 /nfs/dbraw/zinc/03/39/64/168033964.db2.gz 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43806995 168057270 /nfs/dbraw/zinc/05/72/70/168057270.db2.gz OMGFGRGQNOANOL-VHSXEESVSA-N 1 1 168.284 1.223 20 0 ADADMO C[NH2+][C@H]1CCC[C@@H]1N1CCCC1 43806991 168057418 /nfs/dbraw/zinc/05/74/18/168057418.db2.gz OMGFGRGQNOANOL-UWVGGRQHSA-N 1 1 168.284 1.223 20 0 ADADMO CNc1nc(C)[nH+]c(C)c1C 50864037 168070062 /nfs/dbraw/zinc/07/00/62/168070062.db2.gz NHSVTTKHTWKBSE-UHFFFAOYSA-N 1 1 151.213 1.444 20 0 ADADMO CC(=O)C[N@@H+]1CCSC(C)(C)C1 135215085 343957447 /nfs/dbraw/zinc/95/74/47/343957447.db2.gz NEOUQWZYIWATSX-UHFFFAOYSA-N 1 1 187.308 1.403 20 0 ADADMO CC(=O)C[N@H+]1CCSC(C)(C)C1 135215085 343957449 /nfs/dbraw/zinc/95/74/49/343957449.db2.gz NEOUQWZYIWATSX-UHFFFAOYSA-N 1 1 187.308 1.403 20 0 ADADMO COC(=O)C(C)(C)[NH2+]C1CCCC1 37085268 168079640 /nfs/dbraw/zinc/07/96/40/168079640.db2.gz DJVXPJBXUGRWIY-UHFFFAOYSA-N 1 1 185.267 1.470 20 0 ADADMO COC(=O)C(C)(C)[NH2+]C1CCCCC1 37085438 168080271 /nfs/dbraw/zinc/08/02/71/168080271.db2.gz JQFJSOKUFSHWSS-UHFFFAOYSA-N 1 1 199.294 1.860 20 0 ADADMO 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20 0 ADADMO COC(=O)[C@@H](C)[N@@H+](C)CC(C)C 43628368 168105344 /nfs/dbraw/zinc/10/53/44/168105344.db2.gz PVKIXXNVOQMPJK-MRVPVSSYSA-N 1 1 173.256 1.136 20 0 ADADMO COC(=O)[C@@H](C)[N@@H+]1CCC=C(C)C1 306399281 168105422 /nfs/dbraw/zinc/10/54/22/168105422.db2.gz KEZBTUCEKGYOBL-SECBINFHSA-N 1 1 183.251 1.200 20 0 ADADMO COC(=O)[C@@H](C)[N@H+]1CCC=C(C)C1 306399281 168105424 /nfs/dbraw/zinc/10/54/24/168105424.db2.gz KEZBTUCEKGYOBL-SECBINFHSA-N 1 1 183.251 1.200 20 0 ADADMO COC(=O)[C@@H](C)[N@H+]1CCCC[C@H](C)C1 336078635 168105732 /nfs/dbraw/zinc/10/57/32/168105732.db2.gz OFIVJMUTNQZPRG-VHSXEESVSA-N 1 1 199.294 1.670 20 0 ADADMO COC(=O)[C@@H](C)[N@@H+](C)CCC(C)C 43628814 168105778 /nfs/dbraw/zinc/10/57/78/168105778.db2.gz FHEMLBDZRRMELN-SECBINFHSA-N 1 1 187.283 1.526 20 0 ADADMO COC(=O)[C@@H](C)[N@H+]1CCCC[C@@H](C)C1 336078423 168105930 /nfs/dbraw/zinc/10/59/30/168105930.db2.gz OFIVJMUTNQZPRG-NXEZZACHSA-N 1 1 199.294 1.670 20 0 ADADMO COC(=O)[C@@H](C)[N@H+]1CCCC2(CC2)C1 335872351 168106002 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197.278 1.590 20 0 ADADMO COC(=O)[C@@H](C)[NH2+][C@@H](C)C(C)C 42229767 168106428 /nfs/dbraw/zinc/10/64/28/168106428.db2.gz FDRSBRSRAUZCDK-JGVFFNPUSA-N 1 1 173.256 1.182 20 0 ADADMO COC(=O)[C@@H](C)[NH2+]C1CCC(C)CC1 42303933 168106482 /nfs/dbraw/zinc/10/64/82/168106482.db2.gz VWSCDZSVYLXXJF-HWOCKDDLSA-N 1 1 199.294 1.716 20 0 ADADMO COC(=O)[C@@H](CC(C)C)[NH2+]C(C)C 35042470 168107197 /nfs/dbraw/zinc/10/71/97/168107197.db2.gz XERPOKRWFKEVAA-SECBINFHSA-N 1 1 187.283 1.572 20 0 ADADMO COC(=O)[C@@H]([NH2+]C1CCCC1)C1CC1 41047614 168108851 /nfs/dbraw/zinc/10/88/51/168108851.db2.gz UZZAWBNKROXEJY-JTQLQIEISA-N 1 1 197.278 1.470 20 0 ADADMO COC(=O)[C@@H]([NH2+]CC(C)C)C(C)C 35346546 168109513 /nfs/dbraw/zinc/10/95/13/168109513.db2.gz RPDKZNMBPVPERD-VIFPVBQESA-N 1 1 187.283 1.430 20 0 ADADMO COC(=O)[C@@H]([NH2+]CC(C)C)C1CC1 41047595 168110078 /nfs/dbraw/zinc/11/00/78/168110078.db2.gz DMCZOVHNLMEUBZ-VIFPVBQESA-N 1 1 185.267 1.184 20 0 ADADMO COC(=O)[C@@](C)([NH2+]CC1CC1)C1CC1 37967706 168114442 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1.526 20 0 ADADMO COC(=O)[C@H](C)[N@H+]1CCCC[C@H](C)C1 336078424 168116654 /nfs/dbraw/zinc/11/66/54/168116654.db2.gz OFIVJMUTNQZPRG-UWVGGRQHSA-N 1 1 199.294 1.670 20 0 ADADMO COC(=O)[C@H](C)[N@@H+](C)CC(C)(C)C 45083844 168116823 /nfs/dbraw/zinc/11/68/23/168116823.db2.gz NROBWQFBHROUIP-QMMMGPOBSA-N 1 1 187.283 1.526 20 0 ADADMO COC(=O)[C@H](C)[N@@H+]1CCC(C)=C(C)C1 306898790 168117205 /nfs/dbraw/zinc/11/72/05/168117205.db2.gz YCIPBVJAYSLZFI-JTQLQIEISA-N 1 1 197.278 1.590 20 0 ADADMO COC(=O)[C@H](C)[N@H+]1CCC(C)=C(C)C1 306898790 168117206 /nfs/dbraw/zinc/11/72/06/168117206.db2.gz YCIPBVJAYSLZFI-JTQLQIEISA-N 1 1 197.278 1.590 20 0 ADADMO COC(=O)[C@H](C)[NH2+][C@H]1CCCC[C@@H]1C 35014263 168117301 /nfs/dbraw/zinc/11/73/01/168117301.db2.gz RALITJWNTKEWEV-GUBZILKMSA-N 1 1 199.294 1.716 20 0 ADADMO COC(=O)[C@H](C)[NH2+]CCCC(C)C 43627504 168117326 /nfs/dbraw/zinc/11/73/26/168117326.db2.gz RUWFLECRJOVVCQ-VIFPVBQESA-N 1 1 187.283 1.574 20 0 ADADMO COC(=O)[C@H](C)[NH2+]CC1CCCCC1 35041678 168117369 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1.846 20 0 ADADMO C[C@@H](C1CC1)[N@H+](C)C[C@@H](C)O 37694048 168332616 /nfs/dbraw/zinc/33/26/16/168332616.db2.gz QRJBJYLFXQRWQR-SFYZADRCSA-N 1 1 157.257 1.098 20 0 ADADMO C[C@@H](CCN(C)C)[NH2+][C@@H](C)C1CC1 49553139 168337230 /nfs/dbraw/zinc/33/72/30/168337230.db2.gz BXDBIEFPUVTEMT-UWVGGRQHSA-N 1 1 184.327 1.715 20 0 ADADMO C[C@@H](CCN(C)C)[NH2+][C@H](C)C1CC1 49553141 168337463 /nfs/dbraw/zinc/33/74/63/168337463.db2.gz BXDBIEFPUVTEMT-VHSXEESVSA-N 1 1 184.327 1.715 20 0 ADADMO C[C@@H](CCN(C)C)[NH2+]CC1CC1 49553962 168337530 /nfs/dbraw/zinc/33/75/30/168337530.db2.gz JZCCNXINKRNZFZ-VIFPVBQESA-N 1 1 170.300 1.326 20 0 ADADMO C[C@@H](CCN(C)C)[NH2+]C1CCCC1 49551823 168338011 /nfs/dbraw/zinc/33/80/11/168338011.db2.gz RKYKMEWNVGUIEB-JTQLQIEISA-N 1 1 184.327 1.859 20 0 ADADMO C[C@@H](CF)Nc1[nH+]cnc2[nH]ccc12 307012784 168340628 /nfs/dbraw/zinc/34/06/28/168340628.db2.gz QKQLIUCQZBUYIF-LURJTMIESA-N 1 1 194.213 1.728 20 0 ADADMO C[C@@H](CN(C)C)[NH2+]Cc1ccco1 64875638 168340983 /nfs/dbraw/zinc/34/09/83/168340983.db2.gz QBZBYZBSLKVVMS-VIFPVBQESA-N 1 1 182.267 1.319 20 0 ADADMO C[C@@H](CN)[N@@H+](C)CC1CCCCC1 20226782 168342832 /nfs/dbraw/zinc/34/28/32/168342832.db2.gz YQLVUVWQUWGICP-JTQLQIEISA-N 1 1 184.327 1.846 20 0 ADADMO C[C@@H](C[NH3+])N(C)CC1CCCCC1 20226782 168342833 /nfs/dbraw/zinc/34/28/33/168342833.db2.gz YQLVUVWQUWGICP-JTQLQIEISA-N 1 1 184.327 1.846 20 0 ADADMO C[C@@H](CN)[N@@H+](C)CC1CCC1 61454856 168343846 /nfs/dbraw/zinc/34/38/46/168343846.db2.gz QUUODVLYJQCVOP-QMMMGPOBSA-N 1 1 156.273 1.066 20 0 ADADMO C[C@@H](C[NH3+])N(C)CC1CCC1 61454856 168343849 /nfs/dbraw/zinc/34/38/49/168343849.db2.gz QUUODVLYJQCVOP-QMMMGPOBSA-N 1 1 156.273 1.066 20 0 ADADMO C[C@@H](CN)[N@H+](C)CCc1ccccc1 20226784 168344424 /nfs/dbraw/zinc/34/44/24/168344424.db2.gz MBDAXCBXRJGFOO-NSHDSACASA-N 1 1 192.306 1.508 20 0 ADADMO C[C@@H](CN)[N@@H+](C)CCc1ccccc1 20226784 168344426 /nfs/dbraw/zinc/34/44/26/168344426.db2.gz MBDAXCBXRJGFOO-NSHDSACASA-N 1 1 192.306 1.508 20 0 ADADMO C[C@@H](CN1CC[NH2+]CC1)C(C)(C)C 82635668 168346626 /nfs/dbraw/zinc/34/66/26/168346626.db2.gz YOSQZAYRGOQQRL-JTQLQIEISA-N 1 1 184.327 1.574 20 0 ADADMO C[C@@H](CNCc1cccn1C)[NH+](C)C 50596102 168347947 /nfs/dbraw/zinc/34/79/47/168347947.db2.gz XWZGYHLJLONJKD-JTQLQIEISA-N 1 1 195.310 1.065 20 0 ADADMO C[C@@H](CO)c1ccc2c([nH+]1)NCCC2 91692658 168352792 /nfs/dbraw/zinc/35/27/92/168352792.db2.gz OMJYYKSMVOGPCU-QMMMGPOBSA-N 1 1 192.262 1.536 20 0 ADADMO C[C@@H](F)CC[N@H+]1CCO[C@H](C)C1 306542086 168355259 /nfs/dbraw/zinc/35/52/59/168355259.db2.gz YIOFDFCAXPMTTO-RKDXNWHRSA-N 1 1 175.247 1.455 20 0 ADADMO C[C@@H](F)CC[N@H+]1CCc2n[nH]cc2C1 335707095 168355268 /nfs/dbraw/zinc/35/52/68/168355268.db2.gz OORMSNGMQUBEAZ-MRVPVSSYSA-N 1 1 197.257 1.516 20 0 ADADMO C[C@@H](F)CC[N@H+]1CCOC[C@H]1C 307536755 168355314 /nfs/dbraw/zinc/35/53/14/168355314.db2.gz QEXFYROYVMWUDM-RKDXNWHRSA-N 1 1 175.247 1.455 20 0 ADADMO C[C@@H](F)CC[N@H+]1CCC(=O)[C@H](C)C1 307434084 168355388 /nfs/dbraw/zinc/35/53/88/168355388.db2.gz JWIVEZXFGNWSGI-RKDXNWHRSA-N 1 1 187.258 1.645 20 0 ADADMO C[C@@H](F)CC[N@H+]1CCC[C@H](O)CC1 307758728 168355534 /nfs/dbraw/zinc/35/55/34/168355534.db2.gz PLRRODNDUOYLDV-ZJUUUORDSA-N 1 1 189.274 1.581 20 0 ADADMO C[C@@H](F)CC[N@H+]1CC[C@H](O)C1(C)C 306221614 168355545 /nfs/dbraw/zinc/35/55/45/168355545.db2.gz PZQLFIARXFEQSX-BDAKNGLRSA-N 1 1 189.274 1.580 20 0 ADADMO C[C@@H](F)CC[N@H+]1CC[C@](C)(O)C1 307058006 168355589 /nfs/dbraw/zinc/35/55/89/168355589.db2.gz LSEQXVBCQPDZRU-BDAKNGLRSA-N 1 1 175.247 1.191 20 0 ADADMO C[C@@H](F)CC[N@H+]1C[C@@H](O)C(C)(C)C1 307533695 168355691 /nfs/dbraw/zinc/35/56/91/168355691.db2.gz AYMOPMZAWFPGQG-RKDXNWHRSA-N 1 1 189.274 1.437 20 0 ADADMO C[C@@H](F)CC[N@H+]1C[C@H](O)C(C)(C)C1 307533659 168355737 /nfs/dbraw/zinc/35/57/37/168355737.db2.gz AYMOPMZAWFPGQG-BDAKNGLRSA-N 1 1 189.274 1.437 20 0 ADADMO C[C@@H](F)CC[N@H+]1CC[C@@H](O)C1(C)C 306221617 168355789 /nfs/dbraw/zinc/35/57/89/168355789.db2.gz 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336263153 168355941 /nfs/dbraw/zinc/35/59/41/168355941.db2.gz VNENIIAHEKPIMR-HTQZYQBOSA-N 1 1 163.211 1.778 20 0 ADADMO C[C@@H](F)CC[N@H+]1CC[C@H](F)C1 336263155 168355995 /nfs/dbraw/zinc/35/59/95/168355995.db2.gz VNENIIAHEKPIMR-SFYZADRCSA-N 1 1 163.211 1.778 20 0 ADADMO C[C@@H](F)CC[N@H+]1CC[C@@](C)(O)C1 307058012 168356100 /nfs/dbraw/zinc/35/61/00/168356100.db2.gz LSEQXVBCQPDZRU-RKDXNWHRSA-N 1 1 175.247 1.191 20 0 ADADMO C[C@@H](F)CC[N@H+]1CCn2ccnc2C1 335202855 168356131 /nfs/dbraw/zinc/35/61/31/168356131.db2.gz NWIQTTZSRSTYCA-SECBINFHSA-N 1 1 197.257 1.447 20 0 ADADMO C[C@@H]([N@@H+](C)CCCO)C(C)(C)C 42778270 168356175 /nfs/dbraw/zinc/35/61/75/168356175.db2.gz WFLKHPZGHOXWMP-SECBINFHSA-N 1 1 173.300 1.735 20 0 ADADMO C[C@@H](F)CC[N@H+]1CCC[C@H](O)C1 306507294 168356194 /nfs/dbraw/zinc/35/61/94/168356194.db2.gz XQCQYKHGZNSPCR-BDAKNGLRSA-N 1 1 175.247 1.191 20 0 ADADMO C[C@@H](F)CC[N@H+]1CCC[C@@](C)(O)C1 306696041 168356360 /nfs/dbraw/zinc/35/63/60/168356360.db2.gz 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/nfs/dbraw/zinc/36/20/33/168362033.db2.gz BADCVWFTQYVDSO-KOLCDFICSA-N 1 1 182.311 1.598 20 0 ADADMO C[C@@H](N)C[N@@H+](C)C1CCCCCC1 36328410 168362116 /nfs/dbraw/zinc/36/21/16/168362116.db2.gz LHUQMWZBDWNISO-SNVBAGLBSA-N 1 1 184.327 1.988 20 0 ADADMO C[C@@H]([NH3+])CN(C)C1CCCCCC1 36328410 168362119 /nfs/dbraw/zinc/36/21/19/168362119.db2.gz LHUQMWZBDWNISO-SNVBAGLBSA-N 1 1 184.327 1.988 20 0 ADADMO C[C@@H](N)C[N@H+]1CCC[C@@H]1C1CCC1 306148351 168362279 /nfs/dbraw/zinc/36/22/79/168362279.db2.gz BADCVWFTQYVDSO-MWLCHTKSSA-N 1 1 182.311 1.598 20 0 ADADMO C[C@@H](N)C[N@H+]1CCC[C@@H]1C(C)(C)C 108297376 168362374 /nfs/dbraw/zinc/36/23/74/168362374.db2.gz UKULXQNPBZMUKP-NXEZZACHSA-N 1 1 184.327 1.844 20 0 ADADMO C[C@@H](N)C[NH2+]C1CCCCC1 33915629 168362392 /nfs/dbraw/zinc/36/23/92/168362392.db2.gz HSUODFYJTNEEGW-MRVPVSSYSA-N 1 1 156.273 1.256 20 0 ADADMO C[C@@H](N)C[N@@H+](C)CC1CCCCC1 42318071 168362395 /nfs/dbraw/zinc/36/23/95/168362395.db2.gz LYKQTNLVKVGMJT-SNVBAGLBSA-N 1 1 184.327 1.846 20 0 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[NH3+]CCc1[nH]nc2cc(Cl)ccc12 107431891 169198970 /nfs/dbraw/zinc/19/89/70/169198970.db2.gz BIRFYVIVUDUZTH-UHFFFAOYSA-N 1 1 195.653 1.718 20 0 ADADMO NC[C@@H]([NH3+])c1cc(F)cc(Cl)c1 72200329 169202471 /nfs/dbraw/zinc/20/24/71/169202471.db2.gz RXQCHPTXFTYUIZ-MRVPVSSYSA-N 1 1 188.633 1.438 20 0 ADADMO NC[C@@H]([NH3+])c1ccc(F)cc1Cl 72200331 169203582 /nfs/dbraw/zinc/20/35/82/169203582.db2.gz SLFSQUZBFDAMPF-MRVPVSSYSA-N 1 1 188.633 1.438 20 0 ADADMO NC[C@@H]([NH3+])c1cccc(F)c1Cl 72200337 169203806 /nfs/dbraw/zinc/20/38/06/169203806.db2.gz MDRSNVUIBDECBJ-SSDOTTSWSA-N 1 1 188.633 1.438 20 0 ADADMO NC[C@@H]1CCCC[N@H+]1CC1CCCC1 44377084 169207204 /nfs/dbraw/zinc/20/72/04/169207204.db2.gz IIMGIGHKYGEEEM-LBPRGKRZSA-N 1 1 196.338 1.990 20 0 ADADMO [NH3+]C[C@@H]1CCN(Cc2cccs2)C1 36667072 169207620 /nfs/dbraw/zinc/20/76/20/169207620.db2.gz HJWOVOMPHQRPPV-VIFPVBQESA-N 1 1 196.319 1.529 20 0 ADADMO [NH3+]C[C@@H]1CCN(Cc2ccsc2)C1 50245296 169208029 /nfs/dbraw/zinc/20/80/29/169208029.db2.gz 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CCCC[C@@H]([NH2+]C(C)C)C(=O)OC 41053349 343227891 /nfs/dbraw/zinc/22/78/91/343227891.db2.gz LJRKHVCILLSLLG-SECBINFHSA-N 1 1 187.283 1.716 20 0 ADADMO COC(=O)[C@@H]([NH2+]CC1CC1)C(C)(C)C 41051874 343227899 /nfs/dbraw/zinc/22/78/99/343227899.db2.gz VYIPZZGEWKIGFR-SECBINFHSA-N 1 1 199.294 1.574 20 0 ADADMO Cc1ccc(-c2nc(C[NH3+])no2)s1 41052094 343227952 /nfs/dbraw/zinc/22/79/52/343227952.db2.gz RNIZWOKQJJWLLW-UHFFFAOYSA-N 1 1 195.247 1.565 20 0 ADADMO CCCC[C@@H]([NH2+]CCC)C(=O)OC 41053361 343227958 /nfs/dbraw/zinc/22/79/58/343227958.db2.gz HFDQIOZQPCABFL-SECBINFHSA-N 1 1 187.283 1.718 20 0 ADADMO CC[NH2+][C@H](C(=O)OC)C(C)(C)C 41051791 343228014 /nfs/dbraw/zinc/22/80/14/343228014.db2.gz SJSFGIBSPNBSTM-SSDOTTSWSA-N 1 1 173.256 1.184 20 0 ADADMO CC[C@@H](C)c1nc(C[NH3+])no1 41052036 343228060 /nfs/dbraw/zinc/22/80/60/343228060.db2.gz FLERJEOLSBIMOB-RXMQYKEDSA-N 1 1 155.201 1.042 20 0 ADADMO CCCC[C@H]([NH2+]CC1CC1)C(=O)OC 41053434 343228132 /nfs/dbraw/zinc/22/81/32/343228132.db2.gz 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/nfs/dbraw/zinc/24/42/80/343244280.db2.gz OYDQVEAMVLYYQO-HSOILSAZSA-N 1 1 184.327 1.844 20 0 ADADMO CC1CCC(N(C)C[C@@H](C)[NH3+])CC1 42487638 343244282 /nfs/dbraw/zinc/24/42/82/343244282.db2.gz OYDQVEAMVLYYQO-HSOILSAZSA-N 1 1 184.327 1.844 20 0 ADADMO CCC[N@@H+](CCCCO)CC1CC1 42490888 343244332 /nfs/dbraw/zinc/24/43/32/343244332.db2.gz DIGXOESXVHMNQP-UHFFFAOYSA-N 1 1 185.311 1.881 20 0 ADADMO CC1CCC([N@H+](C)C[C@H](C)O)CC1 42488022 343244397 /nfs/dbraw/zinc/24/43/97/343244397.db2.gz OWRXVAKISDRNAI-YVNMAJEFSA-N 1 1 185.311 1.878 20 0 ADADMO CCC[N@H+](CC1CC1)C[C@@H](O)CC 42490891 343244404 /nfs/dbraw/zinc/24/44/04/343244404.db2.gz VQRGNRMCWVKRME-NSHDSACASA-N 1 1 185.311 1.879 20 0 ADADMO CCC[N@@H+](CC1CC1)CC(C)(C)O 42490892 343244428 /nfs/dbraw/zinc/24/44/28/343244428.db2.gz KRBWFJRURAPEDZ-UHFFFAOYSA-N 1 1 185.311 1.879 20 0 ADADMO CC1CCC([N@H+](C)C[C@@H](C)O)CC1 42488021 343244458 /nfs/dbraw/zinc/24/44/58/343244458.db2.gz OWRXVAKISDRNAI-HSOILSAZSA-N 1 1 185.311 1.878 20 0 ADADMO CC1CCC([N@@H+](C)CCO)CC1 42488018 343244464 /nfs/dbraw/zinc/24/44/64/343244464.db2.gz XJGOIDDKBMLUEC-UHFFFAOYSA-N 1 1 171.284 1.489 20 0 ADADMO C[C@H]1CCC[C@H]([N@@H+](C)CCN)C1 42491942 343244666 /nfs/dbraw/zinc/24/46/66/343244666.db2.gz ADUKHPBZQAQPOK-UWVGGRQHSA-N 1 1 170.300 1.456 20 0 ADADMO C[C@H]1CCC[C@H](N(C)CC[NH3+])C1 42491942 343244668 /nfs/dbraw/zinc/24/46/68/343244668.db2.gz ADUKHPBZQAQPOK-UWVGGRQHSA-N 1 1 170.300 1.456 20 0 ADADMO C[C@H]1CCC[C@H]([N@@H+](C)CCO)C1 42494103 343245089 /nfs/dbraw/zinc/24/50/89/343245089.db2.gz FMKQSQSJQTWCMI-UWVGGRQHSA-N 1 1 171.284 1.489 20 0 ADADMO C[C@@H](O)C[N@@H+](C)CC1CCCCC1 42494073 343245187 /nfs/dbraw/zinc/24/51/87/343245187.db2.gz DKGAIIUZXPJIBQ-SNVBAGLBSA-N 1 1 185.311 1.879 20 0 ADADMO CC[C@H](C)[C@H](C)[N@H+]1CC[C@H](N)C1 42556577 343246786 /nfs/dbraw/zinc/24/67/86/343246786.db2.gz CILRSPPOCUMSKH-GUBZILKMSA-N 1 1 170.300 1.454 20 0 ADADMO CC[C@H](C)[C@@H](C)[N@H+]1CC[C@H](N)C1 42556572 343246801 /nfs/dbraw/zinc/24/68/01/343246801.db2.gz CILRSPPOCUMSKH-AEJSXWLSSA-N 1 1 170.300 1.454 20 0 ADADMO CC[C@@H](O)C[N@@H+](CC(C)C)C1CC1 42559034 343247512 /nfs/dbraw/zinc/24/75/12/343247512.db2.gz OXZVTPMRRMWHTF-LLVKDONJSA-N 1 1 185.311 1.878 20 0 ADADMO CC[C@H]1CCCC[C@@H]1[NH2+]CC(=O)OC 42579729 343247644 /nfs/dbraw/zinc/24/76/44/343247644.db2.gz VWLXDAUZWRPQDR-UWVGGRQHSA-N 1 1 199.294 1.718 20 0 ADADMO CC[C@@H]1CCCC[C@H]1[NH2+]CC(=O)OC 42579732 343247758 /nfs/dbraw/zinc/24/77/58/343247758.db2.gz VWLXDAUZWRPQDR-NXEZZACHSA-N 1 1 199.294 1.718 20 0 ADADMO CC[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)OC 42579726 343247799 /nfs/dbraw/zinc/24/77/99/343247799.db2.gz VWLXDAUZWRPQDR-ZJUUUORDSA-N 1 1 199.294 1.718 20 0 ADADMO CC[C@H]1CCCC[C@H]1[NH2+]CC(=O)OC 42579735 343247925 /nfs/dbraw/zinc/24/79/25/343247925.db2.gz VWLXDAUZWRPQDR-VHSXEESVSA-N 1 1 199.294 1.718 20 0 ADADMO C[C@H]1CCCC[C@@H]1[N@@H+](C)CCO 42609626 343248273 /nfs/dbraw/zinc/24/82/73/343248273.db2.gz OGRFUUWRPXMNNX-UWVGGRQHSA-N 1 1 171.284 1.489 20 0 ADADMO C[C@H]1CCCC[C@@H]1[N@@H+](C)CCCO 42609638 343248341 /nfs/dbraw/zinc/24/83/41/343248341.db2.gz QJQAQHZDCPKRMM-QWRGUYRKSA-N 1 1 185.311 1.879 20 0 ADADMO C[C@H]1CCCC[C@H]1[N@@H+](C)CCN 42602224 343248408 /nfs/dbraw/zinc/24/84/08/343248408.db2.gz CONMCNYQQPZKFH-VHSXEESVSA-N 1 1 170.300 1.456 20 0 ADADMO C[C@H]1CCCC[C@H]1[N@H+](C)C[C@@H](C)O 42609644 343248427 /nfs/dbraw/zinc/24/84/27/343248427.db2.gz HHYNCDVXYOPULL-HBNTYKKESA-N 1 1 185.311 1.878 20 0 ADADMO COC(=O)C[N@@H+](C)[C@@H]1CCCC[C@H]1C 42608437 343248544 /nfs/dbraw/zinc/24/85/44/343248544.db2.gz RYNYYNUQNFYAIB-NXEZZACHSA-N 1 1 199.294 1.670 20 0 ADADMO C[C@H]1CCCC[C@H]1[N@@H+](C)CCCO 42609640 343248609 /nfs/dbraw/zinc/24/86/09/343248609.db2.gz QJQAQHZDCPKRMM-WDEREUQCSA-N 1 1 185.311 1.879 20 0 ADADMO C[C@H]1c2ccsc2CC[N@@H+]1CCO 42778357 343249273 /nfs/dbraw/zinc/24/92/73/343249273.db2.gz PDELOJYEWUIISH-QMMMGPOBSA-N 1 1 197.303 1.660 20 0 ADADMO C[C@H]([N@@H+](C)CCCO)C(C)(C)C 42778268 343249333 /nfs/dbraw/zinc/24/93/33/343249333.db2.gz WFLKHPZGHOXWMP-VIFPVBQESA-N 1 1 173.300 1.735 20 0 ADADMO OCCCC[N@H+]1CCO[C@@H]2CCC[C@@H]21 43426755 343252031 /nfs/dbraw/zinc/25/20/31/343252031.db2.gz FLZMZJIGIRYHAD-WDEREUQCSA-N 1 1 199.294 1.012 20 0 ADADMO Cc1[nH+]ccn1-c1nccnc1Cl 43538415 343254904 /nfs/dbraw/zinc/25/49/04/343254904.db2.gz JASWREKIOGHBHE-UHFFFAOYSA-N 1 1 194.625 1.624 20 0 ADADMO Cc1cc[nH+]c(NC2CCOCC2)c1 43561490 343255529 /nfs/dbraw/zinc/25/55/29/343255529.db2.gz CRCLKBDMTOACFO-UHFFFAOYSA-N 1 1 192.262 1.981 20 0 ADADMO Cc1cc[nH+]c(N[C@@H](C)CO)c1 43561456 343255724 /nfs/dbraw/zinc/25/57/24/343255724.db2.gz PTEDSLCMMGRWLD-QMMMGPOBSA-N 1 1 166.224 1.183 20 0 ADADMO CC[C@H](CO)Nc1cc(C)cc[nH+]1 43561452 343255778 /nfs/dbraw/zinc/25/57/78/343255778.db2.gz OVWGENSVSRGDBQ-SECBINFHSA-N 1 1 180.251 1.573 20 0 ADADMO CCCC[N@@H+](CC)[C@H](C)C(=O)OC 43628046 343256873 /nfs/dbraw/zinc/25/68/73/343256873.db2.gz JPCHFZNENVAZEG-SECBINFHSA-N 1 1 187.283 1.670 20 0 ADADMO CCC[N@H+]1CCC[C@H](C)[C@@H]1CN 43617078 343256891 /nfs/dbraw/zinc/25/68/91/343256891.db2.gz NTXBUZTXPQUBME-UWVGGRQHSA-N 1 1 170.300 1.456 20 0 ADADMO CC[C@H](C)C[N@@H+](C)[C@@H](C)C(=O)OC 43628381 343257352 /nfs/dbraw/zinc/25/73/52/343257352.db2.gz WYHZPEVFDJLNGB-IUCAKERBSA-N 1 1 187.283 1.526 20 0 ADADMO CCCCC[N@@H+](C)[C@@H](C)C(=O)OC 43628378 343257369 /nfs/dbraw/zinc/25/73/69/343257369.db2.gz PNLPSUAIIXWERI-VIFPVBQESA-N 1 1 187.283 1.670 20 0 ADADMO CCC[N@@H+](C)[C@@H](C)C(=O)OCC 43638552 343257640 /nfs/dbraw/zinc/25/76/40/343257640.db2.gz FBABKYRXUUEANV-QMMMGPOBSA-N 1 1 173.256 1.280 20 0 ADADMO CCC[N@H+](C1CC1)[C@@H](C)C(=O)OCC 43638550 343257667 /nfs/dbraw/zinc/25/76/67/343257667.db2.gz HWCSFVBRLAQDOA-VIFPVBQESA-N 1 1 199.294 1.812 20 0 ADADMO CCOC(=O)[C@@H](C)[N@H+]1CC[C@H](C)C1 43638654 343257691 /nfs/dbraw/zinc/25/76/91/343257691.db2.gz YDRCEAMVHIACIQ-DTWKUNHWSA-N 1 1 185.267 1.280 20 0 ADADMO CCC[N@@H+](CC)[C@H](C)C(=O)OCC 43642140 343257706 /nfs/dbraw/zinc/25/77/06/343257706.db2.gz PAWUQYPDBNWWOD-SECBINFHSA-N 1 1 187.283 1.670 20 0 ADADMO CCC[N@H+](C1CC1)[C@H](C)C(=O)OCC 43638551 343257718 /nfs/dbraw/zinc/25/77/18/343257718.db2.gz HWCSFVBRLAQDOA-SECBINFHSA-N 1 1 199.294 1.812 20 0 ADADMO CCOC(=O)[C@H](C)[N@H+]1CC[C@H](C)C1 43638655 343257850 /nfs/dbraw/zinc/25/78/50/343257850.db2.gz YDRCEAMVHIACIQ-IUCAKERBSA-N 1 1 185.267 1.280 20 0 ADADMO CCCC[N@@H+](C)[C@@H](C)C(=O)OCC 43638478 343257861 /nfs/dbraw/zinc/25/78/61/343257861.db2.gz DGECLDLQLOFMGA-VIFPVBQESA-N 1 1 187.283 1.670 20 0 ADADMO CC(C)[N@H+](C)CC[C@H](C)O 44119431 343260354 /nfs/dbraw/zinc/26/03/54/343260354.db2.gz XAHWFIALFXVMKE-QMMMGPOBSA-N 1 1 145.246 1.098 20 0 ADADMO C[C@H]1CCC[N@H+](CC[C@@H](C)O)C1 44117842 343260403 /nfs/dbraw/zinc/26/04/03/343260403.db2.gz FVSPSKALNOPNJS-VHSXEESVSA-N 1 1 171.284 1.489 20 0 ADADMO CC(C)[N@H+](C)CC[C@@H](C)O 44119427 343260458 /nfs/dbraw/zinc/26/04/58/343260458.db2.gz XAHWFIALFXVMKE-MRVPVSSYSA-N 1 1 145.246 1.098 20 0 ADADMO C[C@H]1CCC[N@H+]1C[C@H](O)C(C)(C)C 44112983 343260523 /nfs/dbraw/zinc/26/05/23/343260523.db2.gz SHCDTYMLOSFCNR-UWVGGRQHSA-N 1 1 185.311 1.878 20 0 ADADMO CCCCC[N@@H+](C)CC[C@@H](C)O 44131460 343260837 /nfs/dbraw/zinc/26/08/37/343260837.db2.gz NZDXZYOZCDPPNO-SNVBAGLBSA-N 1 1 173.300 1.879 20 0 ADADMO C[C@H](O)CC[N@@H+](C)Cc1ccncc1 44134216 343260852 /nfs/dbraw/zinc/26/08/52/343260852.db2.gz YACJNFJZFJMMMU-JTQLQIEISA-N 1 1 194.278 1.284 20 0 ADADMO CCCC[N@@H+](C)CC[C@@H](C)O 44123055 343260901 /nfs/dbraw/zinc/26/09/01/343260901.db2.gz WAKSZJZWFJRSDA-SECBINFHSA-N 1 1 159.273 1.489 20 0 ADADMO CCC[N@@H+](C)CC[C@@H](C)O 44127612 343260976 /nfs/dbraw/zinc/26/09/76/343260976.db2.gz YMAIHLHUEJFMJL-MRVPVSSYSA-N 1 1 145.246 1.099 20 0 ADADMO C[C@H](O)CC[N@@H+](C)Cc1ccccn1 44133584 343261005 /nfs/dbraw/zinc/26/10/05/343261005.db2.gz MUOHKSAKJVIHOQ-JTQLQIEISA-N 1 1 194.278 1.284 20 0 ADADMO CCCCC[N@@H+](C)CC[C@H](C)O 44131462 343261034 /nfs/dbraw/zinc/26/10/34/343261034.db2.gz NZDXZYOZCDPPNO-JTQLQIEISA-N 1 1 173.300 1.879 20 0 ADADMO CCCC[N@@H+](C)CC[C@H](C)O 44123061 343261044 /nfs/dbraw/zinc/26/10/44/343261044.db2.gz WAKSZJZWFJRSDA-VIFPVBQESA-N 1 1 159.273 1.489 20 0 ADADMO CC[C@@H]1CCC[N@H+]([C@@H](C)[C@@H](C)O)C1 44133804 343261058 /nfs/dbraw/zinc/26/10/58/343261058.db2.gz OGGALXARBGQZMG-HBNTYKKESA-N 1 1 185.311 1.878 20 0 ADADMO C[C@@H]([C@@H](C)O)[N@H+]1CC[C@@H](C)C1 44162794 343261525 /nfs/dbraw/zinc/26/15/25/343261525.db2.gz WQYOBPWFVWMPHA-HRDYMLBCSA-N 1 1 157.257 1.098 20 0 ADADMO Cc1nc(N)cc(CC(C)(C)C)[nH+]1 44262549 343263198 /nfs/dbraw/zinc/26/31/98/343263198.db2.gz BNHRVXDBMANLMA-UHFFFAOYSA-N 1 1 179.267 1.956 20 0 ADADMO Cc1n[nH]c(C(F)(F)F)c1CC[NH3+] 44372211 343264340 /nfs/dbraw/zinc/26/43/40/343264340.db2.gz HQIQXSJWDAKDFU-UHFFFAOYSA-N 1 1 193.172 1.238 20 0 ADADMO CCC1CC[NH+](C[C@@H](C)N)CC1 44383205 343264622 /nfs/dbraw/zinc/26/46/22/343264622.db2.gz IMOKVQZWKSMQAE-SECBINFHSA-N 1 1 170.300 1.456 20 0 ADADMO CCC1CC[NH+](C[C@H](C)N)CC1 44383211 343264808 /nfs/dbraw/zinc/26/48/08/343264808.db2.gz IMOKVQZWKSMQAE-VIFPVBQESA-N 1 1 170.300 1.456 20 0 ADADMO COC[C@@H](C)C[NH2+]Cc1cn[nH]c1C 44477963 343266304 /nfs/dbraw/zinc/26/63/04/343266304.db2.gz BXFRTDFUEHSRAT-QMMMGPOBSA-N 1 1 197.282 1.090 20 0 ADADMO COC[C@H](C)C[NH2+]Cc1cn[nH]c1C 44477961 343266261 /nfs/dbraw/zinc/26/62/61/343266261.db2.gz BXFRTDFUEHSRAT-MRVPVSSYSA-N 1 1 197.282 1.090 20 0 ADADMO Cc1[nH]ncc1C[NH2+]C1CCC1 44481840 343266665 /nfs/dbraw/zinc/26/66/65/343266665.db2.gz NKVHRTNYWHBUNJ-UHFFFAOYSA-N 1 1 165.240 1.360 20 0 ADADMO CN1CCC[C@H](C[NH2+]CC(C)(C)C)C1 44532556 343267179 /nfs/dbraw/zinc/26/71/79/343267179.db2.gz BKQZCFFLKQJBMR-LLVKDONJSA-N 1 1 198.354 1.964 20 0 ADADMO CN1CCC[C@H](C[NH2+]C2CCC2)C1 44532726 343267246 /nfs/dbraw/zinc/26/72/46/343267246.db2.gz PVZIBAGATWTEJZ-SNVBAGLBSA-N 1 1 182.311 1.470 20 0 ADADMO CN1CCC[C@@H](C[NH2+]CC(C)(C)C)C1 44532554 343267252 /nfs/dbraw/zinc/26/72/52/343267252.db2.gz BKQZCFFLKQJBMR-NSHDSACASA-N 1 1 198.354 1.964 20 0 ADADMO C[N@@H+](CCCO)CC(C)(C)C 45086047 343271124 /nfs/dbraw/zinc/27/11/24/343271124.db2.gz VHGRHGTXAGUFQL-UHFFFAOYSA-N 1 1 159.273 1.347 20 0 ADADMO C[N@@H+](CCCCO)CC(C)(C)C 45086043 343271218 /nfs/dbraw/zinc/27/12/18/343271218.db2.gz ZLTRHSONAAADFO-UHFFFAOYSA-N 1 1 173.300 1.737 20 0 ADADMO CC[C@H](O)C[N@@H+](C)CC(C)(C)C 45086065 343271274 /nfs/dbraw/zinc/27/12/74/343271274.db2.gz CFOYQTMGRVLHOB-VIFPVBQESA-N 1 1 173.300 1.735 20 0 ADADMO COC(=O)C[N@@H+](CC(C)C)C(C)C 48065657 343273684 /nfs/dbraw/zinc/27/36/84/343273684.db2.gz LMWGTDNMWRIRRO-UHFFFAOYSA-N 1 1 187.283 1.526 20 0 ADADMO COC(=O)[C@@H](C)C[N@@H+](C)CC=C(C)C 48336025 343273930 /nfs/dbraw/zinc/27/39/30/343273930.db2.gz KIROTGAGSYYQSC-JTQLQIEISA-N 1 1 199.294 1.694 20 0 ADADMO COC(=O)[C@H](C)C[N@@H+](C)CC=C(C)C 48336027 343273961 /nfs/dbraw/zinc/27/39/61/343273961.db2.gz KIROTGAGSYYQSC-SNVBAGLBSA-N 1 1 199.294 1.694 20 0 ADADMO CCC[N@H+]1CCCC[C@@H]1CC(=O)OC 48739153 343275013 /nfs/dbraw/zinc/27/50/13/343275013.db2.gz PNTCKPYVCYLQDD-SNVBAGLBSA-N 1 1 199.294 1.814 20 0 ADADMO C[N@H+](CC1CCCC1)C1CCNCC1 48733251 343275245 /nfs/dbraw/zinc/27/52/45/343275245.db2.gz DYONMMBLOGHHQI-UHFFFAOYSA-N 1 1 196.338 1.860 20 0 ADADMO CCOC(=O)[C@@H](C)[NH2+][C@H](C)C(C)C 49367989 343275377 /nfs/dbraw/zinc/27/53/77/343275377.db2.gz DDHCZRMWUBUMOM-RKDXNWHRSA-N 1 1 187.283 1.572 20 0 ADADMO CCOC(=O)[C@H](C)[NH2+][C@H](C)C(C)C 49367992 343275386 /nfs/dbraw/zinc/27/53/86/343275386.db2.gz DDHCZRMWUBUMOM-BDAKNGLRSA-N 1 1 187.283 1.572 20 0 ADADMO CCOC(=O)[C@H](C)[NH2+]C(CC)CC 49368845 343275413 /nfs/dbraw/zinc/27/54/13/343275413.db2.gz BYXRHVVKCMJUNZ-QMMMGPOBSA-N 1 1 187.283 1.716 20 0 ADADMO CCOC(=O)[C@H](C)[NH2+][C@@H](C)C(C)C 49367986 343275423 /nfs/dbraw/zinc/27/54/23/343275423.db2.gz DDHCZRMWUBUMOM-IUCAKERBSA-N 1 1 187.283 1.572 20 0 ADADMO CC[C@H](C)[N@H+]1CC[C@H](CO)C1 49474354 343275501 /nfs/dbraw/zinc/27/55/01/343275501.db2.gz POBITSWWZHBDNO-IUCAKERBSA-N 1 1 157.257 1.099 20 0 ADADMO CCOC(=O)[C@@H](C)[NH2+]C(CC)CC 49368850 343275727 /nfs/dbraw/zinc/27/57/27/343275727.db2.gz BYXRHVVKCMJUNZ-MRVPVSSYSA-N 1 1 187.283 1.716 20 0 ADADMO C[C@H](O)C[N@@H+](C)C(C)(C)C 49804522 343276513 /nfs/dbraw/zinc/27/65/13/343276513.db2.gz CSOGUQREUKCYOS-ZETCQYMHSA-N 1 1 145.246 1.098 20 0 ADADMO CC(C)OCCC[N@@H+](C)C[C@@H](C)O 49806493 343276907 /nfs/dbraw/zinc/27/69/07/343276907.db2.gz YATMRBNRXOTIFR-SNVBAGLBSA-N 1 1 189.299 1.114 20 0 ADADMO CC(C)OCCC[N@@H+](C)C[C@H](C)O 49806494 343276937 /nfs/dbraw/zinc/27/69/37/343276937.db2.gz YATMRBNRXOTIFR-JTQLQIEISA-N 1 1 189.299 1.114 20 0 ADADMO CC(C)OCCC[N@@H+](C)CCCO 49806495 343277011 /nfs/dbraw/zinc/27/70/11/343277011.db2.gz IZQBHZLQOKYUCW-UHFFFAOYSA-N 1 1 189.299 1.116 20 0 ADADMO CCC[N@H+]1CCC[C@@H](CO)C1 49934116 343277141 /nfs/dbraw/zinc/27/71/41/343277141.db2.gz BJTTYMDZZCMDST-SECBINFHSA-N 1 1 157.257 1.101 20 0 ADADMO CCCC[N@@H+](C)[C@@H](C)C(=O)OC 49956446 343277296 /nfs/dbraw/zinc/27/72/96/343277296.db2.gz ZUEGOFOBIZTQOV-QMMMGPOBSA-N 1 1 173.256 1.280 20 0 ADADMO C[N@@H+](CCCO)CCc1cccs1 49812056 343277306 /nfs/dbraw/zinc/27/73/06/343277306.db2.gz IDFAWBCUQZJQKA-UHFFFAOYSA-N 1 1 199.319 1.605 20 0 ADADMO CCC[N@H+]1CCC[C@H](CO)C1 49934115 343277392 /nfs/dbraw/zinc/27/73/92/343277392.db2.gz BJTTYMDZZCMDST-VIFPVBQESA-N 1 1 157.257 1.101 20 0 ADADMO CCC[N@@H+](CC(=O)OC)[C@@H](C)CC 50065773 343277745 /nfs/dbraw/zinc/27/77/45/343277745.db2.gz RODCJMOXPBZOEC-VIFPVBQESA-N 1 1 187.283 1.670 20 0 ADADMO CCCC[N@@H+](CC(=O)OC)C(C)C 50063417 343277765 /nfs/dbraw/zinc/27/77/65/343277765.db2.gz ZXBWWOANYWBCIU-UHFFFAOYSA-N 1 1 187.283 1.670 20 0 ADADMO CCCC[N@H+]1CCC[C@@H]1C(=O)OC 50048182 343277826 /nfs/dbraw/zinc/27/78/26/343277826.db2.gz XRHMCQAYYOAVBJ-SECBINFHSA-N 1 1 185.267 1.424 20 0 ADADMO CCCC[N@@H+](CCC)CC(=O)OC 50065625 343277786 /nfs/dbraw/zinc/27/77/86/343277786.db2.gz FBUJCKJXGRRALK-UHFFFAOYSA-N 1 1 187.283 1.672 20 0 ADADMO CCC[N@@H+](CC(=O)OC)C1CCCC1 50065740 343277804 /nfs/dbraw/zinc/27/78/04/343277804.db2.gz CVVNUWLNCRXJBW-UHFFFAOYSA-N 1 1 199.294 1.814 20 0 ADADMO CCC[N@@H+](CC(=O)OC)[C@H](C)CC 50065774 343277900 /nfs/dbraw/zinc/27/79/00/343277900.db2.gz RODCJMOXPBZOEC-SECBINFHSA-N 1 1 187.283 1.670 20 0 ADADMO CCCC[N@@H+](CCCO)C(C)C 50105435 343278085 /nfs/dbraw/zinc/27/80/85/343278085.db2.gz NGEMYXMCSCIKGE-UHFFFAOYSA-N 1 1 173.300 1.879 20 0 ADADMO CC(C)C[N@H+]1CCCC[C@@H]1CCO 50104922 343278089 /nfs/dbraw/zinc/27/80/89/343278089.db2.gz DZOLCVXDBFVDCS-LLVKDONJSA-N 1 1 185.311 1.879 20 0 ADADMO CCc1ccc(C[N@@H+](C)CCO)cc1 50104658 343278130 /nfs/dbraw/zinc/27/81/30/343278130.db2.gz MYTUZWOZJPVXHF-UHFFFAOYSA-N 1 1 193.290 1.673 20 0 ADADMO CC[C@H](C)[N@H+]1CCC[C@H](O)C1 50103480 343278164 /nfs/dbraw/zinc/27/81/64/343278164.db2.gz JGBNPEQTZXRBBT-IUCAKERBSA-N 1 1 157.257 1.242 20 0 ADADMO CC(C)[N@@H+](CCCO)Cc1ccco1 50105521 343278224 /nfs/dbraw/zinc/27/82/24/343278224.db2.gz GDDIADZEVXWIAB-UHFFFAOYSA-N 1 1 197.278 1.872 20 0 ADADMO CC(C)C[N@H+]1CCCC[C@H]1CCO 50104923 343278243 /nfs/dbraw/zinc/27/82/43/343278243.db2.gz DZOLCVXDBFVDCS-NSHDSACASA-N 1 1 185.311 1.879 20 0 ADADMO CCCCC[N@@H+](CCO)C1CC1 50103998 343278255 /nfs/dbraw/zinc/27/82/55/343278255.db2.gz ZLUDHTBOVIMZNN-UHFFFAOYSA-N 1 1 171.284 1.633 20 0 ADADMO CCC[N@@H+](CCO)Cc1cccnc1 50106295 343278261 /nfs/dbraw/zinc/27/82/61/343278261.db2.gz HLFSEVZOYIUEIF-UHFFFAOYSA-N 1 1 194.278 1.286 20 0 ADADMO CCCCOCC[N@@H+](CC)CCO 50105322 343278273 /nfs/dbraw/zinc/27/82/73/343278273.db2.gz OENHDKQOUPXCLU-UHFFFAOYSA-N 1 1 189.299 1.117 20 0 ADADMO Cc1ccc(C[N@H+]2CCC[C@@H]2CO)o1 50114240 343278289 /nfs/dbraw/zinc/27/82/89/343278289.db2.gz LNIRJUHWIUVFFV-SNVBAGLBSA-N 1 1 195.262 1.545 20 0 ADADMO CCCC[N@H+]1CCC[C@@H]1CO 50113860 343278339 /nfs/dbraw/zinc/27/83/39/343278339.db2.gz RCEKCRDWPFVWCG-SECBINFHSA-N 1 1 157.257 1.243 20 0 ADADMO Cc1ccc(C[N@H+]2CCC[C@H]2CO)o1 50114242 343278373 /nfs/dbraw/zinc/27/83/73/343278373.db2.gz LNIRJUHWIUVFFV-JTQLQIEISA-N 1 1 195.262 1.545 20 0 ADADMO CC(C)(C)C(=O)C[N@H+]1CCC[C@H](O)C1 50152842 343278683 /nfs/dbraw/zinc/27/86/83/343278683.db2.gz BBSNTABVCFNWNQ-VIFPVBQESA-N 1 1 199.294 1.058 20 0 ADADMO CC(=O)C[N@H+](C)[C@H]1CCSC1 50133371 343278791 /nfs/dbraw/zinc/27/87/91/343278791.db2.gz OBDJRQORMHTMFG-QMMMGPOBSA-N 1 1 173.281 1.013 20 0 ADADMO CCC(=O)Cn1cc[nH+]c1C 50180628 343279357 /nfs/dbraw/zinc/27/93/57/343279357.db2.gz OFXGMBKPIGEVOF-UHFFFAOYSA-N 1 1 152.197 1.171 20 0 ADADMO CCC(CC)C[N@H+]1CC[C@@H](N)C1 50227861 343279967 /nfs/dbraw/zinc/27/99/67/343279967.db2.gz KCDWFTWCOZFAHM-SNVBAGLBSA-N 1 1 170.300 1.456 20 0 ADADMO CCC(CC)C[N@H+]1CC[C@H](N)C1 50227860 343280166 /nfs/dbraw/zinc/28/01/66/343280166.db2.gz KCDWFTWCOZFAHM-JTQLQIEISA-N 1 1 170.300 1.456 20 0 ADADMO COC(=O)C(C)(C)[NH2+]CC1CCCC1 50271768 343280479 /nfs/dbraw/zinc/28/04/79/343280479.db2.gz MLGGJCPBUJWTLQ-UHFFFAOYSA-N 1 1 199.294 1.718 20 0 ADADMO CC[C@H](C)C[N@@H+](CC)CC(=O)OC 50428244 343283284 /nfs/dbraw/zinc/28/32/84/343283284.db2.gz BTGQCRZOYDNWFY-VIFPVBQESA-N 1 1 187.283 1.527 20 0 ADADMO CC[C@H](C)C[N@H+]1CCC[C@@H]1C(=O)OC 50428207 343283311 /nfs/dbraw/zinc/28/33/11/343283311.db2.gz XBWGJDWLWFCZBK-VHSXEESVSA-N 1 1 199.294 1.670 20 0 ADADMO C[C@H]1CCC[N@@H+](CCCCO)[C@@H]1C 50566232 343284689 /nfs/dbraw/zinc/28/46/89/343284689.db2.gz ZZXIGTHYHFQVBR-WDEREUQCSA-N 1 1 185.311 1.879 20 0 ADADMO CCOC(=O)C[N@H+]1CCC[C@H](C)[C@@H]1C 50565467 343284698 /nfs/dbraw/zinc/28/46/98/343284698.db2.gz XOPQCMBZSQFBAF-UWVGGRQHSA-N 1 1 199.294 1.670 20 0 ADADMO CC[C@H](O)C[N@H+]1CCC[C@H](C)[C@@H]1C 50566245 343284720 /nfs/dbraw/zinc/28/47/20/343284720.db2.gz HUDNFWMKNMESKC-DCAQKATOSA-N 1 1 185.311 1.878 20 0 ADADMO CC[C@@H](O)C[N@H+]1CCC[C@H](C)[C@@H]1C 50566246 343284910 /nfs/dbraw/zinc/28/49/10/343284910.db2.gz HUDNFWMKNMESKC-GARJFASQSA-N 1 1 185.311 1.878 20 0 ADADMO C[C@@H]1CCC[N@@H+](CCCCO)[C@@H]1C 50566231 343284991 /nfs/dbraw/zinc/28/49/91/343284991.db2.gz ZZXIGTHYHFQVBR-GHMZBOCLSA-N 1 1 185.311 1.879 20 0 ADADMO 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1.874 20 0 ADADMO CCC[N@@H+](C)CCCCCO 51019817 343287826 /nfs/dbraw/zinc/28/78/26/343287826.db2.gz OVEYUUKZLPVYLM-UHFFFAOYSA-N 1 1 159.273 1.491 20 0 ADADMO C[C@@H]1CC[N@@H+](CCCCCO)C1 51019886 343287838 /nfs/dbraw/zinc/28/78/38/343287838.db2.gz NIZFGCAWTMKRJK-SNVBAGLBSA-N 1 1 171.284 1.491 20 0 ADADMO C[C@H]1CCC[N@@H+](CCCCCO)C1 51019749 343287867 /nfs/dbraw/zinc/28/78/67/343287867.db2.gz BGZAUPBJKSMMNK-NSHDSACASA-N 1 1 185.311 1.881 20 0 ADADMO C[C@H]1CC[N@@H+](CCCCCO)C1 51019887 343287870 /nfs/dbraw/zinc/28/78/70/343287870.db2.gz NIZFGCAWTMKRJK-JTQLQIEISA-N 1 1 171.284 1.491 20 0 ADADMO C[C@@H]1CCC[N@@H+](CCCCCO)C1 51019748 343287882 /nfs/dbraw/zinc/28/78/82/343287882.db2.gz BGZAUPBJKSMMNK-LLVKDONJSA-N 1 1 185.311 1.881 20 0 ADADMO C[C@H]1CC[N@H+](CC(C)(C)CN)C1 51249959 343289577 /nfs/dbraw/zinc/28/95/77/343289577.db2.gz ARHNBKNDULHGBX-VIFPVBQESA-N 1 1 170.300 1.313 20 0 ADADMO C[C@H]1CC[N@@H+](CC(C)(C)CN)C1 51249959 343289579 /nfs/dbraw/zinc/28/95/79/343289579.db2.gz 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/nfs/dbraw/zinc/28/98/16/343289816.db2.gz XVCPIRMITVUCBV-UHFFFAOYSA-N 1 1 170.300 1.313 20 0 ADADMO C[N@@H+](CC1CC1)CC(C)(C)CN 51249722 343289819 /nfs/dbraw/zinc/28/98/19/343289819.db2.gz XVCPIRMITVUCBV-UHFFFAOYSA-N 1 1 170.300 1.313 20 0 ADADMO CC(=O)C[N@@H+]1CC[C@@H](C)C[C@H]1C 51733908 343292580 /nfs/dbraw/zinc/29/25/80/343292580.db2.gz WUFDYOQPUVVXFI-RKDXNWHRSA-N 1 1 169.268 1.696 20 0 ADADMO C[C@@H]([NH3+])CN1CC[C@@H](C)C[C@H]1C 51730826 343292619 /nfs/dbraw/zinc/29/26/19/343292619.db2.gz TYXSDOAPENGMNC-OPRDCNLKSA-N 1 1 170.300 1.454 20 0 ADADMO COC(=O)CC[N@H+]1CC[C@@H](C)C[C@H]1C 51733273 343292715 /nfs/dbraw/zinc/29/27/15/343292715.db2.gz SUIDAQJZWNDIMH-NXEZZACHSA-N 1 1 199.294 1.670 20 0 ADADMO Cc1noc(C)c1C[N@H+](C)C[C@@H](C)O 51837874 343293856 /nfs/dbraw/zinc/29/38/56/343293856.db2.gz IOZRHUPCWAEFIJ-SSDOTTSWSA-N 1 1 198.266 1.104 20 0 ADADMO C[C@H](O)C[N@@H+](C)CCC(C)(C)C 51837253 343293977 /nfs/dbraw/zinc/29/39/77/343293977.db2.gz BOKFPHPTCWSESZ-VIFPVBQESA-N 1 1 173.300 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C[C@H]1C[N@H+](C2CCCC2)CC[C@H]1O 253312471 344933494 /nfs/dbraw/zinc/93/34/94/344933494.db2.gz VYFPDVHTGJEJNJ-GXSJLCMTSA-N 1 1 183.295 1.632 20 0 ADADMO C[C@H]1C[N@@H+](CC2CCCC2)CC[C@H]1O 253350108 344933859 /nfs/dbraw/zinc/93/38/59/344933859.db2.gz ZYOADCSWEUTWNH-CMPLNLGQSA-N 1 1 197.322 1.879 20 0 ADADMO Cn1ccc(C[N@@H+](C)C2CCCC2)n1 253393466 344933869 /nfs/dbraw/zinc/93/38/69/344933869.db2.gz WCJVKDIBTLCCRF-UHFFFAOYSA-N 1 1 193.294 1.795 20 0 ADADMO C[C@@H]1C[N@@H+](CC2CCCC2)CC[C@H]1O 253350109 344933893 /nfs/dbraw/zinc/93/38/93/344933893.db2.gz ZYOADCSWEUTWNH-ZYHUDNBSSA-N 1 1 197.322 1.879 20 0 ADADMO CC(C)CC[N@H+]1CC[C@@H](O)[C@H](C)C1 253336508 344933982 /nfs/dbraw/zinc/93/39/82/344933982.db2.gz YLGIWAOKAQQYLM-GHMZBOCLSA-N 1 1 185.311 1.735 20 0 ADADMO C[C@@H]1CC[C@@H]([N@H+]2CCNC[C@H]2C)C1 253336506 344934038 /nfs/dbraw/zinc/93/40/38/344934038.db2.gz YLFZKLYVOOSHDY-GMTAPVOTSA-N 1 1 182.311 1.469 20 0 ADADMO C[C@@H]1CC[C@@H](N2CC[NH2+]C[C@H]2C)C1 253336506 344934041 /nfs/dbraw/zinc/93/40/41/344934041.db2.gz YLFZKLYVOOSHDY-GMTAPVOTSA-N 1 1 182.311 1.469 20 0 ADADMO C[C@@H]1CC[C@H]([N@H+]2CCNC[C@H]2C)C1 253336507 344934094 /nfs/dbraw/zinc/93/40/94/344934094.db2.gz YLFZKLYVOOSHDY-MXWKQRLJSA-N 1 1 182.311 1.469 20 0 ADADMO C[C@@H]1CC[C@H](N2CC[NH2+]C[C@H]2C)C1 253336507 344934098 /nfs/dbraw/zinc/93/40/98/344934098.db2.gz YLFZKLYVOOSHDY-MXWKQRLJSA-N 1 1 182.311 1.469 20 0 ADADMO C[C@@H]1CC[C@H](N[C@H]2CC[NH2+]C2)C1 253628443 344935425 /nfs/dbraw/zinc/93/54/25/344935425.db2.gz XTFGEXXLGNAKSV-UTLUCORTSA-N 1 1 168.284 1.127 20 0 ADADMO C[C@@H]1CC[C@@H](N[C@H]2CC[NH2+]C2)C1 253628442 344935669 /nfs/dbraw/zinc/93/56/69/344935669.db2.gz XTFGEXXLGNAKSV-BBBLOLIVSA-N 1 1 168.284 1.127 20 0 ADADMO Cc1cnc([C@@H](C)[N@@H+]2CC[C@@H](O)C2)o1 257585495 344942607 /nfs/dbraw/zinc/94/26/07/344942607.db2.gz LEOZGYCYFJVFGP-RKDXNWHRSA-N 1 1 196.250 1.111 20 0 ADADMO Cc1cnc([C@@H](C)[N@H+]2CC[C@@H](O)C2)o1 257585495 344942609 /nfs/dbraw/zinc/94/26/09/344942609.db2.gz LEOZGYCYFJVFGP-RKDXNWHRSA-N 1 1 196.250 1.111 20 0 ADADMO Cc1cnc([C@H](C)[N@@H+]2CC[C@@H](O)C2)o1 257585494 344942655 /nfs/dbraw/zinc/94/26/55/344942655.db2.gz LEOZGYCYFJVFGP-DTWKUNHWSA-N 1 1 196.250 1.111 20 0 ADADMO Cc1cnc([C@H](C)[N@H+]2CC[C@@H](O)C2)o1 257585494 344942657 /nfs/dbraw/zinc/94/26/57/344942657.db2.gz LEOZGYCYFJVFGP-DTWKUNHWSA-N 1 1 196.250 1.111 20 0 ADADMO CCCC[N@H+]1CC[C@H](O)C(C)(C)C1 258633836 344944604 /nfs/dbraw/zinc/94/46/04/344944604.db2.gz CLNZCBDXFQLCNS-JTQLQIEISA-N 1 1 185.311 1.879 20 0 ADADMO CC[N@H+]1CC[C@@H](O)C(C)(C)C1 258598587 344944890 /nfs/dbraw/zinc/94/48/90/344944890.db2.gz ACEYJCVTCCBGEA-MRVPVSSYSA-N 1 1 157.257 1.099 20 0 ADADMO CC[N@H+]1CC[C@H](O)C(C)(C)C1 258598588 344944929 /nfs/dbraw/zinc/94/49/29/344944929.db2.gz ACEYJCVTCCBGEA-QMMMGPOBSA-N 1 1 157.257 1.099 20 0 ADADMO CCCC[N@H+]1CC[C@@H](O)C(C)(C)C1 258633838 344945093 /nfs/dbraw/zinc/94/50/93/344945093.db2.gz CLNZCBDXFQLCNS-SNVBAGLBSA-N 1 1 185.311 1.879 20 0 ADADMO COC(=O)C(C)(C)[N@@H+](C)C1CCCC1 258757841 344945510 /nfs/dbraw/zinc/94/55/10/344945510.db2.gz JIRKHGZDDXQWDG-UHFFFAOYSA-N 1 1 199.294 1.812 20 0 ADADMO COC(=O)C[N@H+](C)CCC1CCCC1 258830329 344945596 /nfs/dbraw/zinc/94/55/96/344945596.db2.gz BFYOUWVKEOIAMI-UHFFFAOYSA-N 1 1 199.294 1.672 20 0 ADADMO COC(=O)C[N@@H+](C)CCC1CCCC1 258830329 344945598 /nfs/dbraw/zinc/94/55/98/344945598.db2.gz BFYOUWVKEOIAMI-UHFFFAOYSA-N 1 1 199.294 1.672 20 0 ADADMO CCC[N@@H+](C)C(C)(C)C(=O)OC 258805877 344945823 /nfs/dbraw/zinc/94/58/23/344945823.db2.gz NVLGUWJKWDTRDE-UHFFFAOYSA-N 1 1 173.256 1.280 20 0 ADADMO COC(=O)C(C)(C)[NH2+]CCC1CCC1 258882003 344946123 /nfs/dbraw/zinc/94/61/23/344946123.db2.gz VQCIHCVOWUYFJM-UHFFFAOYSA-N 1 1 199.294 1.718 20 0 ADADMO COC(=O)CCC[N@@H+](C)C(C)(C)C 258899641 344946132 /nfs/dbraw/zinc/94/61/32/344946132.db2.gz KSIQEPPQSKKWRS-UHFFFAOYSA-N 1 1 187.283 1.670 20 0 ADADMO CC(C)C[N@H+]1CC[C@H](O)C(C)(C)C1 258904828 344946144 /nfs/dbraw/zinc/94/61/44/344946144.db2.gz VGKCYXCMAVOOED-JTQLQIEISA-N 1 1 185.311 1.735 20 0 ADADMO N[C@@H]1CCCC[C@H]1[NH2+]CC1CCC1 258849204 344946170 /nfs/dbraw/zinc/94/61/70/344946170.db2.gz FAEVVFGCOMUMBQ-GHMZBOCLSA-N 1 1 182.311 1.646 20 0 ADADMO CC(C)C[N@H+]1CC[C@@H](O)C(C)(C)C1 258904831 344946385 /nfs/dbraw/zinc/94/63/85/344946385.db2.gz VGKCYXCMAVOOED-SNVBAGLBSA-N 1 1 185.311 1.735 20 0 ADADMO COC(=O)C(C)(C)[N@@H+](C)CC1CCC1 258911297 344946416 /nfs/dbraw/zinc/94/64/16/344946416.db2.gz YXMKQRMJYIYPKG-UHFFFAOYSA-N 1 1 199.294 1.670 20 0 ADADMO COC(=O)C(C)(C)[N@@H+](C)CC(C)C 258886151 344946453 /nfs/dbraw/zinc/94/64/53/344946453.db2.gz WECLRINNKVAVSR-UHFFFAOYSA-N 1 1 187.283 1.526 20 0 ADADMO N[C@@H]1CCC[C@@H]1[NH2+]CC1CCCC1 259016461 344946837 /nfs/dbraw/zinc/94/68/37/344946837.db2.gz NWPQFQFEQBWFNP-MNOVXSKESA-N 1 1 182.311 1.646 20 0 ADADMO N[C@H]1CCC[C@H]1[NH2+]CC1CCCC1 259016465 344946950 /nfs/dbraw/zinc/94/69/50/344946950.db2.gz NWPQFQFEQBWFNP-WDEREUQCSA-N 1 1 182.311 1.646 20 0 ADADMO N[C@H]1CCC[C@@H]1[NH2+]CC1CCCC1 259016463 344946958 /nfs/dbraw/zinc/94/69/58/344946958.db2.gz NWPQFQFEQBWFNP-QWRGUYRKSA-N 1 1 182.311 1.646 20 0 ADADMO N[C@@H]1CCC[C@H]1[NH2+]CC1CCCC1 259016459 344946984 /nfs/dbraw/zinc/94/69/84/344946984.db2.gz NWPQFQFEQBWFNP-GHMZBOCLSA-N 1 1 182.311 1.646 20 0 ADADMO C[N@@H+](CCC1CCCCC1)CC(N)=O 259024684 344946992 /nfs/dbraw/zinc/94/69/92/344946992.db2.gz HMHFIJWDOJLUBW-UHFFFAOYSA-N 1 1 198.310 1.374 20 0 ADADMO CC(C)(C)C[NH2+][C@@H]1CCC[C@@H]1N 259159657 344947377 /nfs/dbraw/zinc/94/73/77/344947377.db2.gz VHTGSFTZBHMHMW-DTWKUNHWSA-N 1 1 170.300 1.502 20 0 ADADMO COC(=O)C[N@H+](C)CCC1CCC1 258986315 344947131 /nfs/dbraw/zinc/94/71/31/344947131.db2.gz WYUFTLQVOKGUES-UHFFFAOYSA-N 1 1 185.267 1.281 20 0 ADADMO COC(=O)C[N@@H+](C)CCC1CCC1 258986315 344947134 /nfs/dbraw/zinc/94/71/34/344947134.db2.gz WYUFTLQVOKGUES-UHFFFAOYSA-N 1 1 185.267 1.281 20 0 ADADMO CCCC[N@@H+](C)C(C)(C)C(=O)OC 258975155 344947143 /nfs/dbraw/zinc/94/71/43/344947143.db2.gz OAWLFGYMQPKZDZ-UHFFFAOYSA-N 1 1 187.283 1.670 20 0 ADADMO CC(C)(C)C[NH2+][C@H]1CCC[C@H]1N 259159652 344947266 /nfs/dbraw/zinc/94/72/66/344947266.db2.gz VHTGSFTZBHMHMW-BDAKNGLRSA-N 1 1 170.300 1.502 20 0 ADADMO CCOC(=O)C[N@H+](C)CCC1CCC1 259110917 344947300 /nfs/dbraw/zinc/94/73/00/344947300.db2.gz PCKDDMVITHYSRY-UHFFFAOYSA-N 1 1 199.294 1.672 20 0 ADADMO CCOC(=O)C[N@@H+](C)CCC1CCC1 259110917 344947302 /nfs/dbraw/zinc/94/73/02/344947302.db2.gz PCKDDMVITHYSRY-UHFFFAOYSA-N 1 1 199.294 1.672 20 0 ADADMO CC[N@H+](C)C[C@@H]1CCCN(C)C1 259125845 344947325 /nfs/dbraw/zinc/94/73/25/344947325.db2.gz QDZZUJFLQLYBNT-JTQLQIEISA-N 1 1 170.300 1.280 20 0 ADADMO CC[N@@H+](C)C[C@@H]1CCCN(C)C1 259125845 344947326 /nfs/dbraw/zinc/94/73/26/344947326.db2.gz QDZZUJFLQLYBNT-JTQLQIEISA-N 1 1 170.300 1.280 20 0 ADADMO CC[N@H+](C)C[C@H]1CCCN(C)C1 259125848 344947497 /nfs/dbraw/zinc/94/74/97/344947497.db2.gz QDZZUJFLQLYBNT-SNVBAGLBSA-N 1 1 170.300 1.280 20 0 ADADMO CC[N@@H+](C)C[C@H]1CCCN(C)C1 259125848 344947499 /nfs/dbraw/zinc/94/74/99/344947499.db2.gz QDZZUJFLQLYBNT-SNVBAGLBSA-N 1 1 170.300 1.280 20 0 ADADMO CC(C)(C)C[NH2+][C@@H]1CCC[C@H]1N 259159660 344947523 /nfs/dbraw/zinc/94/75/23/344947523.db2.gz VHTGSFTZBHMHMW-RKDXNWHRSA-N 1 1 170.300 1.502 20 0 ADADMO CCC[N@H+]1CC[C@@H](CO)[C@@H]1C 259252447 344947855 /nfs/dbraw/zinc/94/78/55/344947855.db2.gz FGDJEKZCZDMTMV-IUCAKERBSA-N 1 1 157.257 1.099 20 0 ADADMO CCC[N@H+]1CC[C@H](CO)[C@H]1C 259252449 344947996 /nfs/dbraw/zinc/94/79/96/344947996.db2.gz FGDJEKZCZDMTMV-RKDXNWHRSA-N 1 1 157.257 1.099 20 0 ADADMO N[C@@H]1CCCC[C@H]1[NH2+]C1CCOCC1 259218025 344948018 /nfs/dbraw/zinc/94/80/18/344948018.db2.gz XLWYCLNZVQCHBR-GHMZBOCLSA-N 1 1 198.310 1.025 20 0 ADADMO CCC[N@H+]1CC[C@H](CO)[C@@H]1C 259252443 344948057 /nfs/dbraw/zinc/94/80/57/344948057.db2.gz FGDJEKZCZDMTMV-DTWKUNHWSA-N 1 1 157.257 1.099 20 0 ADADMO CC(C)CC[N@H+]1CCNC(=O)C1(C)C 259272305 344948104 /nfs/dbraw/zinc/94/81/04/344948104.db2.gz NUNIIMGXSXAFNM-UHFFFAOYSA-N 1 1 198.310 1.243 20 0 ADADMO CC(C)[N@H+]1CC[C@@H](O)C(C)(C)C1 259363227 344948589 /nfs/dbraw/zinc/94/85/89/344948589.db2.gz UPTZMWHSJDHGGT-SECBINFHSA-N 1 1 171.284 1.488 20 0 ADADMO CCOC(=O)CC[N@@H+](C(C)C)C1CC1 259412275 344948608 /nfs/dbraw/zinc/94/86/08/344948608.db2.gz MHXDFFIRWXAIBJ-UHFFFAOYSA-N 1 1 199.294 1.812 20 0 ADADMO CC[C@@H](C)[N@H+]1CC[C@@H](O)C(C)(C)C1 259351143 344948623 /nfs/dbraw/zinc/94/86/23/344948623.db2.gz TVVNAKRHVXMSEW-NXEZZACHSA-N 1 1 185.311 1.878 20 0 ADADMO CC[C@@H](C)[N@H+]1CC[C@H](O)C(C)(C)C1 259351146 344948626 /nfs/dbraw/zinc/94/86/26/344948626.db2.gz TVVNAKRHVXMSEW-ZJUUUORDSA-N 1 1 185.311 1.878 20 0 ADADMO CC[C@H](C)[N@H+]1CC[C@@H](O)C(C)(C)C1 259351145 344948631 /nfs/dbraw/zinc/94/86/31/344948631.db2.gz TVVNAKRHVXMSEW-VHSXEESVSA-N 1 1 185.311 1.878 20 0 ADADMO CC[C@H](C)[N@H+]1CC[C@H](O)C(C)(C)C1 259351144 344948791 /nfs/dbraw/zinc/94/87/91/344948791.db2.gz TVVNAKRHVXMSEW-UWVGGRQHSA-N 1 1 185.311 1.878 20 0 ADADMO CC(C)[N@H+]1CC[C@H](O)C(C)(C)C1 259363231 344948796 /nfs/dbraw/zinc/94/87/96/344948796.db2.gz UPTZMWHSJDHGGT-VIFPVBQESA-N 1 1 171.284 1.488 20 0 ADADMO CCN1CC[N@H+](C2CCCC2)CC1=O 259510197 344949100 /nfs/dbraw/zinc/94/91/00/344949100.db2.gz ULTMWAMFSXFWNL-UHFFFAOYSA-N 1 1 196.294 1.093 20 0 ADADMO COC(=O)CC[N@@H+](C(C)C)C1CC1 259446337 344949219 /nfs/dbraw/zinc/94/92/19/344949219.db2.gz PLYWHIRBEAVEAK-UHFFFAOYSA-N 1 1 185.267 1.422 20 0 ADADMO CC(C)C[N@H+]1CC[C@H](CO)[C@H]1C 259586468 344949586 /nfs/dbraw/zinc/94/95/86/344949586.db2.gz ZQTVJJBCMWNXER-NXEZZACHSA-N 1 1 171.284 1.345 20 0 ADADMO CC(C)C[N@H+]1CC[C@@H](CO)[C@H]1C 259586476 344949600 /nfs/dbraw/zinc/94/96/00/344949600.db2.gz ZQTVJJBCMWNXER-ZJUUUORDSA-N 1 1 171.284 1.345 20 0 ADADMO CC(C)C[N@H+]1CC[C@H](CO)[C@@H]1C 259586474 344949612 /nfs/dbraw/zinc/94/96/12/344949612.db2.gz ZQTVJJBCMWNXER-VHSXEESVSA-N 1 1 171.284 1.345 20 0 ADADMO CC(C)C[N@H+]1CC[C@@H](CO)[C@@H]1C 259586471 344949752 /nfs/dbraw/zinc/94/97/52/344949752.db2.gz ZQTVJJBCMWNXER-UWVGGRQHSA-N 1 1 171.284 1.345 20 0 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306151712 345041461 /nfs/dbraw/zinc/04/14/61/345041461.db2.gz DCRAVGWHLJDERO-QMMMGPOBSA-N 1 1 179.267 1.560 20 0 ADADMO Cc1n[nH]cc1C[N@@H+]1CC[C@@H](C)C1 306151709 345041423 /nfs/dbraw/zinc/04/14/23/345041423.db2.gz DCRAVGWHLJDERO-MRVPVSSYSA-N 1 1 179.267 1.560 20 0 ADADMO Cc1[nH]ncc1C[N@@H+]1CC[C@@H](C)C1 306151709 345041429 /nfs/dbraw/zinc/04/14/29/345041429.db2.gz DCRAVGWHLJDERO-MRVPVSSYSA-N 1 1 179.267 1.560 20 0 ADADMO Cc1[nH]ncc1C[N@@H+]1CC[C@H](C)C1 306151712 345041469 /nfs/dbraw/zinc/04/14/69/345041469.db2.gz DCRAVGWHLJDERO-QMMMGPOBSA-N 1 1 179.267 1.560 20 0 ADADMO CCC[N@H+]1CC[S@@](=O)C[C@H](C)C1 306151656 345041485 /nfs/dbraw/zinc/04/14/85/345041485.db2.gz HXQVSDNLASWMCX-BXKDBHETSA-N 1 1 189.324 1.097 20 0 ADADMO CCC[N@H+]1CC[S@@](=O)C[C@@H](C)C1 306151660 345041613 /nfs/dbraw/zinc/04/16/13/345041613.db2.gz HXQVSDNLASWMCX-JOYOIKCWSA-N 1 1 189.324 1.097 20 0 ADADMO CCC[N@H+]1CC[S@](=O)C[C@@H](C)C1 306151658 345041709 /nfs/dbraw/zinc/04/17/09/345041709.db2.gz 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345051689 /nfs/dbraw/zinc/05/16/89/345051689.db2.gz PFZIMMNQFNBBRF-BDAKNGLRSA-N 1 1 180.251 1.905 20 0 ADADMO C[C@H]1CC[N@@H+](Cc2ccon2)[C@H]1C 306160990 345051862 /nfs/dbraw/zinc/05/18/62/345051862.db2.gz PFZIMMNQFNBBRF-IUCAKERBSA-N 1 1 180.251 1.905 20 0 ADADMO C[C@H]1CC[N@@H+](Cc2ccon2)[C@@H]1C 306160987 345051885 /nfs/dbraw/zinc/05/18/85/345051885.db2.gz PFZIMMNQFNBBRF-DTWKUNHWSA-N 1 1 180.251 1.905 20 0 ADADMO CC1(C)CC[C@H]1NC[C@H]1CCC[NH2+]1 306161853 345052971 /nfs/dbraw/zinc/05/29/71/345052971.db2.gz VOTRXPTXVCYONL-NXEZZACHSA-N 1 1 182.311 1.517 20 0 ADADMO CC1(C)CC[C@@H]1NC[C@H]1CCC[NH2+]1 306161854 345053110 /nfs/dbraw/zinc/05/31/10/345053110.db2.gz VOTRXPTXVCYONL-ZJUUUORDSA-N 1 1 182.311 1.517 20 0 ADADMO CC[C@H](C)[N@H+]1CCC[C@@](F)(CO)C1 306162629 345053642 /nfs/dbraw/zinc/05/36/42/345053642.db2.gz HACNVERJILQXIY-UWVGGRQHSA-N 1 1 189.274 1.581 20 0 ADADMO CC[C@H](C)[N@H+]1CCC[C@](F)(CO)C1 306162630 345053660 /nfs/dbraw/zinc/05/36/60/345053660.db2.gz HACNVERJILQXIY-VHSXEESVSA-N 1 1 189.274 1.581 20 0 ADADMO CC1(C)C[N@@H+](CCCF)CC[C@H]1O 306162846 345054251 /nfs/dbraw/zinc/05/42/51/345054251.db2.gz SSXPBWCUDIFJIC-SECBINFHSA-N 1 1 189.274 1.439 20 0 ADADMO CC1(C)C[N@@H+](CCCF)CC[C@@H]1O 306162848 345054320 /nfs/dbraw/zinc/05/43/20/345054320.db2.gz SSXPBWCUDIFJIC-VIFPVBQESA-N 1 1 189.274 1.439 20 0 ADADMO COC(=O)C[NH+]1CCC2(CCC2)CC1 306164747 345055884 /nfs/dbraw/zinc/05/58/84/345055884.db2.gz AFMWCGQFYXAQOY-UHFFFAOYSA-N 1 1 197.278 1.426 20 0 ADADMO C[C@H]1CC[N@@H+](CCC(C)(C)O)[C@H]1C 306164414 345056026 /nfs/dbraw/zinc/05/60/26/345056026.db2.gz STEZZGIOZXUKAC-UWVGGRQHSA-N 1 1 185.311 1.878 20 0 ADADMO C[C@H]1CC[N@@H+](CCC(C)(C)O)[C@@H]1C 306165284 345056431 /nfs/dbraw/zinc/05/64/31/345056431.db2.gz STEZZGIOZXUKAC-VHSXEESVSA-N 1 1 185.311 1.878 20 0 ADADMO CC(C)N[C@@H]1CC[NH2+]C1(C)C 306169390 345060335 /nfs/dbraw/zinc/06/03/35/345060335.db2.gz DFJIJNGIIPFEHG-MRVPVSSYSA-N 1 1 156.273 1.125 20 0 ADADMO CC(C)N[C@H]1CC[NH2+]C1(C)C 306169392 345060528 /nfs/dbraw/zinc/06/05/28/345060528.db2.gz DFJIJNGIIPFEHG-QMMMGPOBSA-N 1 1 156.273 1.125 20 0 ADADMO Cl/C=C/C[N@H+]1CCc2n[nH]cc2C1 306170286 345061468 /nfs/dbraw/zinc/06/14/68/345061468.db2.gz JNSXRTZCHVKTBV-HNQUOIGGSA-N 1 1 197.669 1.520 20 0 ADADMO CC[C@]1(O)CC[N@@H+](CC2CC2)C1 306171177 345062797 /nfs/dbraw/zinc/06/27/97/345062797.db2.gz ZHWAVJVJFAZQCY-JTQLQIEISA-N 1 1 169.268 1.243 20 0 ADADMO CC[C@@]1(O)CC[N@@H+](CC2CC2)C1 306171182 345062855 /nfs/dbraw/zinc/06/28/55/345062855.db2.gz ZHWAVJVJFAZQCY-SNVBAGLBSA-N 1 1 169.268 1.243 20 0 ADADMO C[C@H]1CC[N@@H+](Cc2cscn2)C1 306172442 345063955 /nfs/dbraw/zinc/06/39/55/345063955.db2.gz SQJNILLCGCFKDD-QMMMGPOBSA-N 1 1 182.292 1.985 20 0 ADADMO C[C@H]1CC[C@@H](C)[N@H+]1C[C@@H](C)N 306174055 345064695 /nfs/dbraw/zinc/06/46/95/345064695.db2.gz UFTWFMYWTVZEIR-HLTSFMKQSA-N 1 1 156.273 1.206 20 0 ADADMO C[C@H]1C[C@@H]1C[N@H+]1CCCOCC1 306174137 345064707 /nfs/dbraw/zinc/06/47/07/345064707.db2.gz ULQSXQPUGQBYHE-VHSXEESVSA-N 1 1 169.268 1.365 20 0 ADADMO C[C@H]1C[C@H]1C[N@H+]1CCCOCC1 306174135 345064744 /nfs/dbraw/zinc/06/47/44/345064744.db2.gz ULQSXQPUGQBYHE-UWVGGRQHSA-N 1 1 169.268 1.365 20 0 ADADMO C[C@H](N)C[N@H+]1[C@@H](C)CC[C@H]1C 306174056 345065135 /nfs/dbraw/zinc/06/51/35/345065135.db2.gz UFTWFMYWTVZEIR-XHNCKOQMSA-N 1 1 156.273 1.206 20 0 ADADMO C[C@H]1CCC[C@@H](C)C[N@@H+]1CCN 306175031 345065894 /nfs/dbraw/zinc/06/58/94/345065894.db2.gz MQVRCMPRHXFLCK-ZJUUUORDSA-N 1 1 170.300 1.456 20 0 ADADMO C[C@H]1CCC[C@H](C)[N@@H+](CCN)C1 306175025 345066062 /nfs/dbraw/zinc/06/60/62/345066062.db2.gz MQVRCMPRHXFLCK-UWVGGRQHSA-N 1 1 170.300 1.456 20 0 ADADMO C[C@H]1CCC[C@@H](C)[N@@H+](CCN)C1 306175027 345066174 /nfs/dbraw/zinc/06/61/74/345066174.db2.gz MQVRCMPRHXFLCK-VHSXEESVSA-N 1 1 170.300 1.456 20 0 ADADMO C[C@H](N)C[NH2+][C@@H]1CCC1(C)C 306176001 345066375 /nfs/dbraw/zinc/06/63/75/345066375.db2.gz MZGTZFXXVTZVLV-JGVFFNPUSA-N 1 1 156.273 1.112 20 0 ADADMO C[C@H](N)C[NH2+][C@H]1CCC1(C)C 306176005 345066391 /nfs/dbraw/zinc/06/63/91/345066391.db2.gz MZGTZFXXVTZVLV-YUMQZZPRSA-N 1 1 156.273 1.112 20 0 ADADMO C[C@@H](N)C[NH2+][C@H]1CCC1(C)C 306176003 345066464 /nfs/dbraw/zinc/06/64/64/345066464.db2.gz MZGTZFXXVTZVLV-SFYZADRCSA-N 1 1 156.273 1.112 20 0 ADADMO C[C@@H](N)C[NH2+][C@@H]1CCC1(C)C 306175999 345066549 /nfs/dbraw/zinc/06/65/49/345066549.db2.gz MZGTZFXXVTZVLV-HTQZYQBOSA-N 1 1 156.273 1.112 20 0 ADADMO CC[C@H](C)[N@H+]1CC[C@@](F)(CO)C1 306177904 345068278 /nfs/dbraw/zinc/06/82/78/345068278.db2.gz XUWROWJSRWDZJS-IUCAKERBSA-N 1 1 175.247 1.191 20 0 ADADMO C[N@H+](CN1C(=O)CC1(C)C)C1CC1 306179900 345071437 /nfs/dbraw/zinc/07/14/37/345071437.db2.gz IWJLYPJVZOMCAV-UHFFFAOYSA-N 1 1 182.267 1.049 20 0 ADADMO C[N@@H+](CN1C(=O)CC1(C)C)C1CC1 306179900 345071441 /nfs/dbraw/zinc/07/14/41/345071441.db2.gz IWJLYPJVZOMCAV-UHFFFAOYSA-N 1 1 182.267 1.049 20 0 ADADMO C[C@H]1CCC[N@H+]1Cc1ncc[nH]1 306179727 345071576 /nfs/dbraw/zinc/07/15/76/345071576.db2.gz QWYZLDLTFBWWGU-QMMMGPOBSA-N 1 1 165.240 1.394 20 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306185661 345076272 /nfs/dbraw/zinc/07/62/72/345076272.db2.gz IIRCNNQBRSESOT-UHFFFAOYSA-N 1 1 183.280 1.599 20 0 ADADMO C[C@@H]1CC[C@@H]1[NH2+][C@H]1CCC[NH2+]C1 306185673 345076287 /nfs/dbraw/zinc/07/62/87/345076287.db2.gz RVGXURDDPTVULC-UTLUCORTSA-N 1 1 168.284 1.127 20 0 ADADMO CCCC[N@H+]1C[C@H](C)N(C)C[C@H]1C 306187289 345077243 /nfs/dbraw/zinc/07/72/43/345077243.db2.gz BSJADTBSMKUABB-WDEREUQCSA-N 1 1 184.327 1.811 20 0 ADADMO CCCC[N@H+]1C[C@@H](C)N(C)C[C@H]1C 306187286 345077411 /nfs/dbraw/zinc/07/74/11/345077411.db2.gz BSJADTBSMKUABB-GHMZBOCLSA-N 1 1 184.327 1.811 20 0 ADADMO CCCC[N@H+]1C[C@@H](C)N(C)C[C@@H]1C 306187287 345077534 /nfs/dbraw/zinc/07/75/34/345077534.db2.gz BSJADTBSMKUABB-MNOVXSKESA-N 1 1 184.327 1.811 20 0 ADADMO CC1(C)CC[C@H]1N[C@H]1CCC[NH2+]C1 306187729 345077769 /nfs/dbraw/zinc/07/77/69/345077769.db2.gz DTWGCYNGFPAJNL-VHSXEESVSA-N 1 1 182.311 1.517 20 0 ADADMO CC1(C)CC[C@@H]1N[C@@H]1CCC[NH2+]C1 306187730 345077780 /nfs/dbraw/zinc/07/77/80/345077780.db2.gz DTWGCYNGFPAJNL-ZJUUUORDSA-N 1 1 182.311 1.517 20 0 ADADMO CC1(C)CC[C@@H]1N[C@H]1CCC[NH2+]C1 306187728 345077897 /nfs/dbraw/zinc/07/78/97/345077897.db2.gz DTWGCYNGFPAJNL-UWVGGRQHSA-N 1 1 182.311 1.517 20 0 ADADMO CC1(C)CC[C@H]1N[C@@H]1CCC[NH2+]C1 306187727 345077989 /nfs/dbraw/zinc/07/79/89/345077989.db2.gz DTWGCYNGFPAJNL-NXEZZACHSA-N 1 1 182.311 1.517 20 0 ADADMO CC[C@H](O)C[N@H+]1CC[C@@](C)(F)C1 306187783 345078409 /nfs/dbraw/zinc/07/84/09/345078409.db2.gz NWGONEGAHGYXNL-DTWKUNHWSA-N 1 1 175.247 1.191 20 0 ADADMO CC[C@@H](O)C[N@H+]1CC[C@](C)(F)C1 306187782 345078418 /nfs/dbraw/zinc/07/84/18/345078418.db2.gz NWGONEGAHGYXNL-BDAKNGLRSA-N 1 1 175.247 1.191 20 0 ADADMO CC[C@@H](O)C[N@H+]1CC[C@@](C)(F)C1 306187785 345078589 /nfs/dbraw/zinc/07/85/89/345078589.db2.gz NWGONEGAHGYXNL-RKDXNWHRSA-N 1 1 175.247 1.191 20 0 ADADMO C[C@H]1C[C@H]([NH2+]CCN)c2ccccc21 306191485 345081296 /nfs/dbraw/zinc/08/12/96/345081296.db2.gz OYXXMWNWDGGAPW-CABZTGNLSA-N 1 1 190.290 1.783 20 0 ADADMO C[C@H]1C[C@@H]([NH2+]CCN)c2ccccc21 306191486 345081413 /nfs/dbraw/zinc/08/14/13/345081413.db2.gz OYXXMWNWDGGAPW-JOYOIKCWSA-N 1 1 190.290 1.783 20 0 ADADMO C[C@H]1Cc2c([nH+]cn2CCO)C[C@H]1C 306192481 345082403 /nfs/dbraw/zinc/08/24/03/345082403.db2.gz RADSFHORDPIVFB-BDAKNGLRSA-N 1 1 194.278 1.246 20 0 ADADMO C[C@H]1Cc2[nH+]cn(CCO)c2C[C@H]1C 306192482 345082532 /nfs/dbraw/zinc/08/25/32/345082532.db2.gz RADSFHORDPIVFB-DTWKUNHWSA-N 1 1 194.278 1.246 20 0 ADADMO Cc1[nH+]ccn1C[C@@H]1CCCC[C@@H]1O 306192960 345082893 /nfs/dbraw/zinc/08/28/93/345082893.db2.gz JXCADRGFCHRMBO-QWRGUYRKSA-N 1 1 194.278 1.743 20 0 ADADMO Cc1[nH+]ccn1C[C@@H]1CCCC[C@H]1O 306192961 345082909 /nfs/dbraw/zinc/08/29/09/345082909.db2.gz JXCADRGFCHRMBO-WDEREUQCSA-N 1 1 194.278 1.743 20 0 ADADMO CCC[NH+]1C[C@@H](C)S(=O)[C@H](C)C1 306195247 345084449 /nfs/dbraw/zinc/08/44/49/345084449.db2.gz OESGAGAIMWNHQR-RKDXNWHRSA-N 1 1 189.324 1.238 20 0 ADADMO C[C@H]1C[C@@H](O)C[N@H+]1CCC1CC1 306194995 345084631 /nfs/dbraw/zinc/08/46/31/345084631.db2.gz XBTOOGSDLUUHDY-WCBMZHEXSA-N 1 1 169.268 1.242 20 0 ADADMO CCC[N@@H+]1C[C@H](C)[S@@](=O)[C@H](C)C1 306195243 345084660 /nfs/dbraw/zinc/08/46/60/345084660.db2.gz OESGAGAIMWNHQR-GDGBQDQQSA-N 1 1 189.324 1.238 20 0 ADADMO CCC[N@H+]1C[C@H](C)[S@@](=O)[C@H](C)C1 306195243 345084664 /nfs/dbraw/zinc/08/46/64/345084664.db2.gz OESGAGAIMWNHQR-GDGBQDQQSA-N 1 1 189.324 1.238 20 0 ADADMO CCC[NH+]1C[C@H](C)S(=O)[C@@H](C)C1 306195245 345084673 /nfs/dbraw/zinc/08/46/73/345084673.db2.gz OESGAGAIMWNHQR-IUCAKERBSA-N 1 1 189.324 1.238 20 0 ADADMO C[C@H]1C[C@H](O)C[N@H+]1CCC1CC1 306194996 345084695 /nfs/dbraw/zinc/08/46/95/345084695.db2.gz XBTOOGSDLUUHDY-WPRPVWTQSA-N 1 1 169.268 1.242 20 0 ADADMO CO[C@@H]1CCC[N@@H+](CC2(C)CC2)C1 306203650 345092578 /nfs/dbraw/zinc/09/25/78/345092578.db2.gz MQNOCQMDSUPDHK-SNVBAGLBSA-N 1 1 183.295 1.897 20 0 ADADMO CO[C@H]1CCC[N@@H+](CC2(C)CC2)C1 306203649 345092782 /nfs/dbraw/zinc/09/27/82/345092782.db2.gz MQNOCQMDSUPDHK-JTQLQIEISA-N 1 1 183.295 1.897 20 0 ADADMO C[C@@]1(F)CC[N@@H+](C[C@@H]2CCCO2)C1 306204590 345093645 /nfs/dbraw/zinc/09/36/45/345093645.db2.gz DVHHTLNBMBQDLH-VHSXEESVSA-N 1 1 187.258 1.599 20 0 ADADMO C[C@@]1(F)CC[N@@H+](C[C@H]2CCCO2)C1 306204585 345093738 /nfs/dbraw/zinc/09/37/38/345093738.db2.gz DVHHTLNBMBQDLH-NXEZZACHSA-N 1 1 187.258 1.599 20 0 ADADMO C[C@]1(F)CC[N@@H+](C[C@@H]2CCCO2)C1 306204588 345093854 /nfs/dbraw/zinc/09/38/54/345093854.db2.gz DVHHTLNBMBQDLH-UWVGGRQHSA-N 1 1 187.258 1.599 20 0 ADADMO C[C@]1(F)CC[N@@H+](C[C@H]2CCCO2)C1 306204592 345093888 /nfs/dbraw/zinc/09/38/88/345093888.db2.gz DVHHTLNBMBQDLH-ZJUUUORDSA-N 1 1 187.258 1.599 20 0 ADADMO C[C@H]1CN(C)CC[N@H+]1CC1CCC1 306210616 345099876 /nfs/dbraw/zinc/09/98/76/345099876.db2.gz IZZOVCSPLLJMGD-JTQLQIEISA-N 1 1 182.311 1.422 20 0 ADADMO C[C@H]1C[C@@H](O)C[N@H+]1Cc1ccco1 306210287 345099902 /nfs/dbraw/zinc/09/99/02/345099902.db2.gz GNHNXFTVWIRFHY-DTWKUNHWSA-N 1 1 181.235 1.235 20 0 ADADMO C[C@H]1C[C@H](O)C[N@H+]1Cc1ccco1 306210290 345100078 /nfs/dbraw/zinc/10/00/78/345100078.db2.gz GNHNXFTVWIRFHY-IUCAKERBSA-N 1 1 181.235 1.235 20 0 ADADMO C[C@H]1CCCCN1CC(F)(F)C[NH3+] 306210805 345100640 /nfs/dbraw/zinc/10/06/40/345100640.db2.gz GOYZKBKESVSNFY-QMMMGPOBSA-N 1 1 192.253 1.455 20 0 ADADMO C[C@@H]1CCCCN1CC(F)(F)C[NH3+] 306210803 345100683 /nfs/dbraw/zinc/10/06/83/345100683.db2.gz GOYZKBKESVSNFY-MRVPVSSYSA-N 1 1 192.253 1.455 20 0 ADADMO C[N@@H+](C1CC(O)C1)[C@H]1C=CCCC1 306213504 345103996 /nfs/dbraw/zinc/10/39/96/345103996.db2.gz XGUJFYPNAQWJKH-WHXUTIOJSA-N 1 1 181.279 1.550 20 0 ADADMO C[C@H]1CCC[N@H+]1Cc1cnc[nH]1 306214185 345104808 /nfs/dbraw/zinc/10/48/08/345104808.db2.gz WPWUQKYJGVBBPB-QMMMGPOBSA-N 1 1 165.240 1.394 20 0 ADADMO C[C@H]1CCC[N@H+]1Cc1c[nH]cn1 306214185 345104815 /nfs/dbraw/zinc/10/48/15/345104815.db2.gz WPWUQKYJGVBBPB-QMMMGPOBSA-N 1 1 165.240 1.394 20 0 ADADMO CC[NH2+][C@H](C)c1noc(C)n1 306215156 345106314 /nfs/dbraw/zinc/10/63/14/345106314.db2.gz OHBJMGBBASVEOU-RXMQYKEDSA-N 1 1 155.201 1.049 20 0 ADADMO CC[NH2+][C@@H](C)c1noc(C)n1 306215157 345106617 /nfs/dbraw/zinc/10/66/17/345106617.db2.gz OHBJMGBBASVEOU-YFKPBYRVSA-N 1 1 155.201 1.049 20 0 ADADMO CCc1[nH+]ccn1Cc1cnns1 306215857 345107035 /nfs/dbraw/zinc/10/70/35/345107035.db2.gz IJEKGEMDMRUVIA-UHFFFAOYSA-N 1 1 194.263 1.345 20 0 ADADMO CC(C)CC[N@H+]1CCN(C)[C@H](C)C1 306216246 345107669 /nfs/dbraw/zinc/10/76/69/345107669.db2.gz ISMJPSJWKGGSPL-LLVKDONJSA-N 1 1 184.327 1.668 20 0 ADADMO CC(C)CC[N@H+]1CCN(C)[C@@H](C)C1 306216247 345107913 /nfs/dbraw/zinc/10/79/13/345107913.db2.gz ISMJPSJWKGGSPL-NSHDSACASA-N 1 1 184.327 1.668 20 0 ADADMO CC(C)C[N@H+]1CCN(C)C(C)(C)C1 306217852 345109515 /nfs/dbraw/zinc/10/95/15/345109515.db2.gz KORNFKMSMPWXJH-UHFFFAOYSA-N 1 1 184.327 1.668 20 0 ADADMO CC(C)(O)[C@H]1CCC[N@H+]1CC(F)F 306220170 345112441 /nfs/dbraw/zinc/11/24/41/345112441.db2.gz UEWDEIDBGGKWHP-SSDOTTSWSA-N 1 1 193.237 1.487 20 0 ADADMO CC(C)(O)[C@H]1CCC[N@@H+]1CC(F)F 306220170 345112439 /nfs/dbraw/zinc/11/24/39/345112439.db2.gz UEWDEIDBGGKWHP-SSDOTTSWSA-N 1 1 193.237 1.487 20 0 ADADMO CC(C)(O)[C@@H]1CCC[N@H+]1CC(F)F 306220171 345112687 /nfs/dbraw/zinc/11/26/87/345112687.db2.gz UEWDEIDBGGKWHP-ZETCQYMHSA-N 1 1 193.237 1.487 20 0 ADADMO C[C@H](F)CC[N@H+]1CC[C@H](O)C1(C)C 306221616 345114275 /nfs/dbraw/zinc/11/42/75/345114275.db2.gz PZQLFIARXFEQSX-IUCAKERBSA-N 1 1 189.274 1.580 20 0 ADADMO C[C@H](F)CC[N@H+]1CC[C@@H](O)C1(C)C 306221615 345114299 /nfs/dbraw/zinc/11/42/99/345114299.db2.gz PZQLFIARXFEQSX-DTWKUNHWSA-N 1 1 189.274 1.580 20 0 ADADMO Cc1cc(N(C)C(C)C)nc(C)[nH+]1 306224158 345117073 /nfs/dbraw/zinc/11/70/73/345117073.db2.gz TWAAULIXQIKGKT-UHFFFAOYSA-N 1 1 179.267 1.938 20 0 ADADMO CC[C@@H]1CCC[N@H+]1CCF 306224989 345118292 /nfs/dbraw/zinc/11/82/92/345118292.db2.gz LIYFIVPPXRTHRV-MRVPVSSYSA-N 1 1 145.221 1.830 20 0 ADADMO C[N@@H+]([C@@H]1C=CCCC1)C1(CO)CC1 306225854 345119551 /nfs/dbraw/zinc/11/95/51/345119551.db2.gz FFGJXMUYIBKQGT-SNVBAGLBSA-N 1 1 181.279 1.552 20 0 ADADMO c1nc(C[NH+]2C3CCC2CC3)c[nH]1 306226045 345119623 /nfs/dbraw/zinc/11/96/23/345119623.db2.gz VMBPGMSNZWVPOB-UHFFFAOYSA-N 1 1 177.251 1.537 20 0 ADADMO C[C@H](O)C[N@@H+](C)[C@H]1CCC(C)(C)C1 306226188 345119685 /nfs/dbraw/zinc/11/96/85/345119685.db2.gz GFLYGBMFKJCMKX-UWVGGRQHSA-N 1 1 185.311 1.878 20 0 ADADMO C[N@@H+]([C@H]1C=CCCC1)C1(CO)CC1 306225853 345119717 /nfs/dbraw/zinc/11/97/17/345119717.db2.gz FFGJXMUYIBKQGT-JTQLQIEISA-N 1 1 181.279 1.552 20 0 ADADMO CC[C@H]1C[C@H](C)C[N@H+]1CCN 306227950 345121274 /nfs/dbraw/zinc/12/12/74/345121274.db2.gz XAVCCDCCOCDFRN-IUCAKERBSA-N 1 1 156.273 1.066 20 0 ADADMO CC[C@@H]1C[C@H](C)C[N@H+]1CCN 306227949 345121319 /nfs/dbraw/zinc/12/13/19/345121319.db2.gz XAVCCDCCOCDFRN-DTWKUNHWSA-N 1 1 156.273 1.066 20 0 ADADMO CC[C@H]1C[C@@H](C)C[N@H+]1CCN 306227948 345121532 /nfs/dbraw/zinc/12/15/32/345121532.db2.gz XAVCCDCCOCDFRN-BDAKNGLRSA-N 1 1 156.273 1.066 20 0 ADADMO CC(C)[NH2+][C@H]1CCc2cn[nH]c2C1 306229255 345122522 /nfs/dbraw/zinc/12/25/22/345122522.db2.gz YDLKIUYOHUBELQ-VIFPVBQESA-N 1 1 179.267 1.265 20 0 ADADMO CC(C)[NH2+][C@@H]1CCc2cn[nH]c2C1 306229253 345122616 /nfs/dbraw/zinc/12/26/16/345122616.db2.gz YDLKIUYOHUBELQ-SECBINFHSA-N 1 1 179.267 1.265 20 0 ADADMO CC[N@H+]1CC(C)(C)OCC1(C)C 306230893 345124080 /nfs/dbraw/zinc/12/40/80/345124080.db2.gz BAHPDYRTINSRMG-UHFFFAOYSA-N 1 1 171.284 1.896 20 0 ADADMO Cc1cc(C[N@H+]2CC[C@@H](O)C2)cs1 306231175 345124532 /nfs/dbraw/zinc/12/45/32/345124532.db2.gz JQOJHCJSYFBUAT-SNVBAGLBSA-N 1 1 197.303 1.623 20 0 ADADMO CCC[N@H+]1CC[C@@](O)(C2CC2)C1 306231398 345125260 /nfs/dbraw/zinc/12/52/60/345125260.db2.gz LGEKYGGANBMMIH-JTQLQIEISA-N 1 1 169.268 1.243 20 0 ADADMO CC[C@H](O)C[N@H+]1CCCC[C@@H](C)C1 306231650 345125319 /nfs/dbraw/zinc/12/53/19/345125319.db2.gz MCYGRFZYXGKUDW-MNOVXSKESA-N 1 1 185.311 1.879 20 0 ADADMO CC[C@H](O)C[N@H+]1CCCC[C@H](C)C1 306231656 345125322 /nfs/dbraw/zinc/12/53/22/345125322.db2.gz MCYGRFZYXGKUDW-QWRGUYRKSA-N 1 1 185.311 1.879 20 0 ADADMO CC[C@@H](O)C[N@H+]1CCCC[C@H](C)C1 306231661 345125325 /nfs/dbraw/zinc/12/53/25/345125325.db2.gz MCYGRFZYXGKUDW-WDEREUQCSA-N 1 1 185.311 1.879 20 0 ADADMO CCC[N@H+]1CC[C@](O)(C2CC2)C1 306231399 345125405 /nfs/dbraw/zinc/12/54/05/345125405.db2.gz LGEKYGGANBMMIH-SNVBAGLBSA-N 1 1 169.268 1.243 20 0 ADADMO CC1(C)C[N@@H+](CCO)[C@H]2CCC[C@H]21 306235165 345127951 /nfs/dbraw/zinc/12/79/51/345127951.db2.gz DKFLCTRPVVUNNR-ZJUUUORDSA-N 1 1 183.295 1.489 20 0 ADADMO CC1(C)C[N@@H+](CCO)[C@H]2CCC[C@@H]21 306235162 345128177 /nfs/dbraw/zinc/12/81/77/345128177.db2.gz DKFLCTRPVVUNNR-UWVGGRQHSA-N 1 1 183.295 1.489 20 0 ADADMO CC1(C)C[N@@H+](CCO)[C@@H]2CCC[C@H]21 306235161 345128220 /nfs/dbraw/zinc/12/82/20/345128220.db2.gz DKFLCTRPVVUNNR-NXEZZACHSA-N 1 1 183.295 1.489 20 0 ADADMO CC1(C)C[N@@H+](CCO)[C@@H]2CCC[C@@H]21 306235163 345128227 /nfs/dbraw/zinc/12/82/27/345128227.db2.gz DKFLCTRPVVUNNR-VHSXEESVSA-N 1 1 183.295 1.489 20 0 ADADMO C[C@H]1C[C@@H]1C[N@@H+](C)C1CC(O)C1 306235730 345128880 /nfs/dbraw/zinc/12/88/80/345128880.db2.gz ODXZCOYWKIWDIZ-AFWXGSBKSA-N 1 1 169.268 1.098 20 0 ADADMO Cc1[nH]ncc1C[NH2+]C1CC(C)(C)C1 306238204 345131084 /nfs/dbraw/zinc/13/10/84/345131084.db2.gz MCTNEVWYULBDRQ-UHFFFAOYSA-N 1 1 193.294 1.996 20 0 ADADMO CC(C)[N@H+]1CC[C@@H](C)[S@@](=O)CC1 306239712 345132613 /nfs/dbraw/zinc/13/26/13/345132613.db2.gz JVFHYPZEHMDMNQ-SKDRFNHKSA-N 1 1 189.324 1.238 20 0 ADADMO CC(C)[N@H+]1CC[C@@H](C)[S@](=O)CC1 306239709 345132618 /nfs/dbraw/zinc/13/26/18/345132618.db2.gz JVFHYPZEHMDMNQ-BXKDBHETSA-N 1 1 189.324 1.238 20 0 ADADMO CC(C)[N@H+]1CC[C@H](C)[S@](=O)CC1 306239711 345132630 /nfs/dbraw/zinc/13/26/30/345132630.db2.gz JVFHYPZEHMDMNQ-JOYOIKCWSA-N 1 1 189.324 1.238 20 0 ADADMO CC(C)[N@H+]1CC[C@H](C)[S@@](=O)CC1 306239710 345132646 /nfs/dbraw/zinc/13/26/46/345132646.db2.gz JVFHYPZEHMDMNQ-CABZTGNLSA-N 1 1 189.324 1.238 20 0 ADADMO C[C@@H]1CCC[N@H+]1Cc1nccc(N)n1 306240573 345133065 /nfs/dbraw/zinc/13/30/65/345133065.db2.gz KNGYZBRXDYAKOR-MRVPVSSYSA-N 1 1 192.266 1.043 20 0 ADADMO C[C@H]1CCC[N@H+]1Cc1nccc(N)n1 306240574 345133136 /nfs/dbraw/zinc/13/31/36/345133136.db2.gz KNGYZBRXDYAKOR-QMMMGPOBSA-N 1 1 192.266 1.043 20 0 ADADMO CC1(C[N@H+]2CC[C@@H](O)C2)CCC1 306241367 345133747 /nfs/dbraw/zinc/13/37/47/345133747.db2.gz UYAHYNIVOKQNDO-SECBINFHSA-N 1 1 169.268 1.243 20 0 ADADMO C[Si](C)(C)C[N@H+]1CCC[C@@H]1CO 306244645 345136679 /nfs/dbraw/zinc/13/66/79/345136679.db2.gz VFDWWPINHGOPEP-SECBINFHSA-N 1 1 187.359 1.321 20 0 ADADMO C[N@@H+](Cc1cnc[nH]1)[C@@H]1CCSC1 306247947 345139663 /nfs/dbraw/zinc/13/96/63/345139663.db2.gz XZVCRTCHHQTWBB-SECBINFHSA-N 1 1 197.307 1.347 20 0 ADADMO C[N@@H+](Cc1cnc[nH]1)[C@H]1CCSC1 306247948 345139717 /nfs/dbraw/zinc/13/97/17/345139717.db2.gz XZVCRTCHHQTWBB-VIFPVBQESA-N 1 1 197.307 1.347 20 0 ADADMO Cc1cncc(C[N@H+](C)C2CC2)c1 306248254 345140238 /nfs/dbraw/zinc/14/02/38/345140238.db2.gz PZURGICXEJURQB-UHFFFAOYSA-N 1 1 176.263 1.984 20 0 ADADMO Cc1cn[nH]c1C[NH2+][C@H]1CCC[C@H]1F 306248798 345140991 /nfs/dbraw/zinc/14/09/91/345140991.db2.gz ZHVJOFICCSCSBV-BDAKNGLRSA-N 1 1 197.257 1.698 20 0 ADADMO Cc1c[nH]nc1C[NH2+][C@H]1CCC[C@H]1F 306248798 345140992 /nfs/dbraw/zinc/14/09/92/345140992.db2.gz ZHVJOFICCSCSBV-BDAKNGLRSA-N 1 1 197.257 1.698 20 0 ADADMO CC[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 306251790 345143769 /nfs/dbraw/zinc/14/37/69/345143769.db2.gz UMAYOMVSJAPIKS-UWVGGRQHSA-N 1 1 168.284 1.067 20 0 ADADMO CC1(C)CC[C@H]1Nc1cc[nH+]c(N)n1 306251805 345143879 /nfs/dbraw/zinc/14/38/79/345143879.db2.gz UOBSWLGIWFVFTM-SSDOTTSWSA-N 1 1 192.266 1.659 20 0 ADADMO CC1(C)CC[C@@H]1Nc1cc[nH+]c(N)n1 306251806 345143917 /nfs/dbraw/zinc/14/39/17/345143917.db2.gz UOBSWLGIWFVFTM-ZETCQYMHSA-N 1 1 192.266 1.659 20 0 ADADMO CC1=CCC[N@H+](Cc2cc[nH]n2)C1 306254518 345145973 /nfs/dbraw/zinc/14/59/73/345145973.db2.gz OJRLOLNXYOFORK-UHFFFAOYSA-N 1 1 177.251 1.562 20 0 ADADMO CC1=CCC[N@@H+](Cc2cc[nH]n2)C1 306254518 345145974 /nfs/dbraw/zinc/14/59/74/345145974.db2.gz OJRLOLNXYOFORK-UHFFFAOYSA-N 1 1 177.251 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183.295 1.896 20 0 ADADMO C[C@H]1CO[C@H](C)C[N@H+]1CC1CCC1 306537443 345410521 /nfs/dbraw/zinc/41/05/21/345410521.db2.gz LGSSMACHTWELEN-VHSXEESVSA-N 1 1 183.295 1.896 20 0 ADADMO C[C@H](O)[C@H](C)[N@H+]1CC[C@@H](C)[C@H]1C 306538503 345411953 /nfs/dbraw/zinc/41/19/53/345411953.db2.gz SUWBEWPFDCBIHI-IMSYWVGJSA-N 1 1 171.284 1.486 20 0 ADADMO C[C@H]1CCC[N@H+]1Cc1ccno1 306538488 345411973 /nfs/dbraw/zinc/41/19/73/345411973.db2.gz STEJTRJETUADPY-QMMMGPOBSA-N 1 1 166.224 1.659 20 0 ADADMO C[C@H](O)[C@H](C)[N@H+]1CC[C@@H](C)[C@@H]1C 306538507 345412145 /nfs/dbraw/zinc/41/21/45/345412145.db2.gz SUWBEWPFDCBIHI-KATARQTJSA-N 1 1 171.284 1.486 20 0 ADADMO C[C@H](O)[C@H](C)[N@H+]1CC[C@H](C)[C@@H]1C 306538510 345412199 /nfs/dbraw/zinc/41/21/99/345412199.db2.gz SUWBEWPFDCBIHI-XKNYDFJKSA-N 1 1 171.284 1.486 20 0 ADADMO C[C@H]1CC[N@@H+](Cc2ccnn2C)C1 306538626 345412335 /nfs/dbraw/zinc/41/23/35/345412335.db2.gz PGEQCTODIQFUBB-VIFPVBQESA-N 1 1 179.267 1.262 20 0 ADADMO 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C[C@H]1C[N@@H+](CCCO)CC(C)(C)C1 306545236 345419214 /nfs/dbraw/zinc/41/92/14/345419214.db2.gz DJMVLDLLIPDRHQ-SNVBAGLBSA-N 1 1 185.311 1.737 20 0 ADADMO CC[C@H](C)[N@H+]1CCCN(CC)CC1 306546387 345420893 /nfs/dbraw/zinc/42/08/93/345420893.db2.gz WQJKPYKTAAEFPG-NSHDSACASA-N 1 1 184.327 1.813 20 0 ADADMO CCC(=O)Cn1cc(C)[nH+]c1C 306547465 345421959 /nfs/dbraw/zinc/42/19/59/345421959.db2.gz LFGHZTWQQYOFRV-UHFFFAOYSA-N 1 1 166.224 1.479 20 0 ADADMO C[C@@H](O)C[N@H+]1CC2CCC1CC2 306547473 345422086 /nfs/dbraw/zinc/42/20/86/345422086.db2.gz CJHAYVNONHMLNM-XNWIYYODSA-N 1 1 169.268 1.242 20 0 ADADMO C[C@H]1CC[N@@H+](Cc2ccon2)C1 306547953 345422747 /nfs/dbraw/zinc/42/27/47/345422747.db2.gz LWIWQNPTZOHINA-QMMMGPOBSA-N 1 1 166.224 1.516 20 0 ADADMO CC1(C)C[N@@H+](CCCF)CCCO1 306548810 345423628 /nfs/dbraw/zinc/42/36/28/345423628.db2.gz XVIFTWJINOGARS-UHFFFAOYSA-N 1 1 189.274 1.847 20 0 ADADMO C[C@H]1CC[N@@H+](CCO)CC1(C)C 306549551 345424606 /nfs/dbraw/zinc/42/46/06/345424606.db2.gz 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195.306 1.942 20 0 ADADMO C[C@H]1CC[N@@H+](Cc2cnn[nH]2)C[C@H]1C 336197551 346444220 /nfs/dbraw/zinc/44/42/20/346444220.db2.gz ULRSUIAPBFWZGB-DTWKUNHWSA-N 1 1 194.282 1.283 20 0 ADADMO C[C@H]1CC[N@H+](Cc2c[nH]nn2)C[C@H]1C 336197551 346444224 /nfs/dbraw/zinc/44/42/24/346444224.db2.gz ULRSUIAPBFWZGB-DTWKUNHWSA-N 1 1 194.282 1.283 20 0 ADADMO C[C@H]1CC[N@@H+](Cc2c[nH]nn2)C[C@H]1C 336197551 346444226 /nfs/dbraw/zinc/44/42/26/346444226.db2.gz ULRSUIAPBFWZGB-DTWKUNHWSA-N 1 1 194.282 1.283 20 0 ADADMO C[C@H](O)CC[N@H+]1CC[C@@](C)(F)C1 336199140 346444280 /nfs/dbraw/zinc/44/42/80/346444280.db2.gz LPYGVVREBHCIFV-DTWKUNHWSA-N 1 1 175.247 1.191 20 0 ADADMO C[C@H]1C[C@H](O)C[N@H+]1CC1=CCCCC1 336197241 346444386 /nfs/dbraw/zinc/44/43/86/346444386.db2.gz ZVJYINWTRGMNMB-JQWIXIFHSA-N 1 1 195.306 1.942 20 0 ADADMO CCCC[N@H+]1CCn2cnnc2[C@@H]1C 336205855 346444716 /nfs/dbraw/zinc/44/47/16/346444716.db2.gz AVYIIOMWWCMYPJ-VIFPVBQESA-N 1 1 194.282 1.455 20 0 ADADMO Cc1cnccc1C[N@H+](C)C1CC1 336209938 346445046 /nfs/dbraw/zinc/44/50/46/346445046.db2.gz PBVSWKYMBJNUGK-UHFFFAOYSA-N 1 1 176.263 1.984 20 0 ADADMO C[N@H+](Cc1ccncc1F)C1CC1 336209915 346445134 /nfs/dbraw/zinc/44/51/34/346445134.db2.gz NHQBEWMXIZLZJD-UHFFFAOYSA-N 1 1 180.226 1.815 20 0 ADADMO C[N@@H+](Cc1ccncc1F)C1CC1 336209915 346445137 /nfs/dbraw/zinc/44/51/37/346445137.db2.gz NHQBEWMXIZLZJD-UHFFFAOYSA-N 1 1 180.226 1.815 20 0 ADADMO Cc1n[nH]c(C)c1C[N@@H+]1CC[C@@H](F)C1 336222967 346445820 /nfs/dbraw/zinc/44/58/20/346445820.db2.gz YXLOYGALIGZLAS-SECBINFHSA-N 1 1 197.257 1.570 20 0 ADADMO Cc1n[nH]c(C)c1C[N@H+]1CC[C@@H](F)C1 336222967 346445821 /nfs/dbraw/zinc/44/58/21/346445821.db2.gz YXLOYGALIGZLAS-SECBINFHSA-N 1 1 197.257 1.570 20 0 ADADMO Cc1n[nH]cc1C[N@@H+]1CC[C@@H](F)C1 336222879 346445997 /nfs/dbraw/zinc/44/59/97/346445997.db2.gz QLIATFHUJTYNIF-SECBINFHSA-N 1 1 183.230 1.262 20 0 ADADMO Cc1n[nH]cc1C[N@H+]1CC[C@@H](F)C1 336222879 346446000 /nfs/dbraw/zinc/44/60/00/346446000.db2.gz QLIATFHUJTYNIF-SECBINFHSA-N 1 1 183.230 1.262 20 0 ADADMO CC1(C)[C@H]2C[N@@H+](CC3(O)CCC3)C[C@H]21 336222558 346446104 /nfs/dbraw/zinc/44/61/04/346446104.db2.gz ZQVCSEAMPHEPDI-AOOOYVTPSA-N 1 1 195.306 1.489 20 0 ADADMO Cc1n[nH]cc1C[N@@H+]1CC[C@H](F)C1 336222880 346446273 /nfs/dbraw/zinc/44/62/73/346446273.db2.gz QLIATFHUJTYNIF-VIFPVBQESA-N 1 1 183.230 1.262 20 0 ADADMO Cc1n[nH]cc1C[N@H+]1CC[C@H](F)C1 336222880 346446277 /nfs/dbraw/zinc/44/62/77/346446277.db2.gz QLIATFHUJTYNIF-VIFPVBQESA-N 1 1 183.230 1.262 20 0 ADADMO Cc1n[nH]c(C)c1C[N@@H+]1CC[C@H](F)C1 336222971 346446320 /nfs/dbraw/zinc/44/63/20/346446320.db2.gz YXLOYGALIGZLAS-VIFPVBQESA-N 1 1 197.257 1.570 20 0 ADADMO Cc1n[nH]c(C)c1C[N@H+]1CC[C@H](F)C1 336222971 346446323 /nfs/dbraw/zinc/44/63/23/346446323.db2.gz YXLOYGALIGZLAS-VIFPVBQESA-N 1 1 197.257 1.570 20 0 ADADMO Cc1ncccc1C[N@@H+]1CC[C@@H](F)C1 336223239 346446338 /nfs/dbraw/zinc/44/63/38/346446338.db2.gz NHXSTDRQLYMFRT-LLVKDONJSA-N 1 1 194.253 1.934 20 0 ADADMO Cc1ncccc1C[N@H+]1CC[C@@H](F)C1 336223239 346446341 /nfs/dbraw/zinc/44/63/41/346446341.db2.gz NHXSTDRQLYMFRT-LLVKDONJSA-N 1 1 194.253 1.934 20 0 ADADMO CCC[N@H+]1CC[C@@H](SC)C1 336236979 346447117 /nfs/dbraw/zinc/44/71/17/346447117.db2.gz CAPSGSOMOAWDOH-MRVPVSSYSA-N 1 1 159.298 1.834 20 0 ADADMO CCC[N@H+]1CC[C@H](SC)C1 336236980 346447340 /nfs/dbraw/zinc/44/73/40/346447340.db2.gz CAPSGSOMOAWDOH-QMMMGPOBSA-N 1 1 159.298 1.834 20 0 ADADMO Cc1n[nH]cc1C[N@@H+]1CCC[C@H]1CF 336242201 346447762 /nfs/dbraw/zinc/44/77/62/346447762.db2.gz KJCJMTYZNZWQRV-JTQLQIEISA-N 1 1 197.257 1.652 20 0 ADADMO Cc1n[nH]cc1C[N@H+]1CCC[C@H]1CF 336242201 346447765 /nfs/dbraw/zinc/44/77/65/346447765.db2.gz KJCJMTYZNZWQRV-JTQLQIEISA-N 1 1 197.257 1.652 20 0 ADADMO Cc1n[nH]cc1C[N@@H+]1CCC[C@@H]1CF 336242202 346448118 /nfs/dbraw/zinc/44/81/18/346448118.db2.gz KJCJMTYZNZWQRV-SNVBAGLBSA-N 1 1 197.257 1.652 20 0 ADADMO Cc1n[nH]cc1C[N@H+]1CCC[C@@H]1CF 336242202 346448121 /nfs/dbraw/zinc/44/81/21/346448121.db2.gz KJCJMTYZNZWQRV-SNVBAGLBSA-N 1 1 197.257 1.652 20 0 ADADMO C[N@@H+](C[C@@H]1COCCO1)C1CCCC1 336252400 346448566 /nfs/dbraw/zinc/44/85/66/346448566.db2.gz UKVVJUYEHGYUSS-LLVKDONJSA-N 1 1 199.294 1.276 20 0 ADADMO CC(C)[C@@H](O)C[N@H+]1CC[C@H](F)C1 336262868 346448609 /nfs/dbraw/zinc/44/86/09/346448609.db2.gz HDJJBQBFGNQWBZ-IUCAKERBSA-N 1 1 175.247 1.047 20 0 ADADMO C[N@@H+](C[C@H]1COCCO1)C1CCCC1 336252401 346448674 /nfs/dbraw/zinc/44/86/74/346448674.db2.gz UKVVJUYEHGYUSS-NSHDSACASA-N 1 1 199.294 1.276 20 0 ADADMO C[C@H]1CCCC[N@H+](CC[C@@H](C)O)C1 336257614 346448738 /nfs/dbraw/zinc/44/87/38/346448738.db2.gz QAUDJBPOQOVOHX-WDEREUQCSA-N 1 1 185.311 1.879 20 0 ADADMO CC(C)[C@H](O)C[N@H+]1CC[C@H](F)C1 336262867 346448883 /nfs/dbraw/zinc/44/88/83/346448883.db2.gz HDJJBQBFGNQWBZ-DTWKUNHWSA-N 1 1 175.247 1.047 20 0 ADADMO CC(C)[C@H](O)C[N@H+]1CC[C@@H](F)C1 336262869 346449033 /nfs/dbraw/zinc/44/90/33/346449033.db2.gz HDJJBQBFGNQWBZ-RKDXNWHRSA-N 1 1 175.247 1.047 20 0 ADADMO C[C@H](O)CC[N@H+]1CCCC[C@H](C)C1 336257613 346449097 /nfs/dbraw/zinc/44/90/97/346449097.db2.gz QAUDJBPOQOVOHX-QWRGUYRKSA-N 1 1 185.311 1.879 20 0 ADADMO C[N@@H+](CC1=CCCCC1)C1CC(O)C1 336261658 346449137 /nfs/dbraw/zinc/44/91/37/346449137.db2.gz SIKKWIBXOFHDOF-UHFFFAOYSA-N 1 1 195.306 1.942 20 0 ADADMO CC(C)[C@@H](O)C[N@H+]1CC[C@@H](F)C1 336262866 346449173 /nfs/dbraw/zinc/44/91/73/346449173.db2.gz HDJJBQBFGNQWBZ-BDAKNGLRSA-N 1 1 175.247 1.047 20 0 ADADMO C[C@H]1CCCC[N@@H+](Cc2cnn[nH]2)C1 336257301 346449183 /nfs/dbraw/zinc/44/91/83/346449183.db2.gz DIVXWNOLLYQDRF-VIFPVBQESA-N 1 1 194.282 1.427 20 0 ADADMO C[C@H]1CCCC[N@H+](Cc2c[nH]nn2)C1 336257301 346449187 /nfs/dbraw/zinc/44/91/87/346449187.db2.gz DIVXWNOLLYQDRF-VIFPVBQESA-N 1 1 194.282 1.427 20 0 ADADMO C[C@H]1CCCC[N@@H+](Cc2c[nH]nn2)C1 336257301 346449189 /nfs/dbraw/zinc/44/91/89/346449189.db2.gz DIVXWNOLLYQDRF-VIFPVBQESA-N 1 1 194.282 1.427 20 0 ADADMO C[C@H]1CCCC[N@H+](Cc2cn[nH]n2)C1 336257301 346449193 /nfs/dbraw/zinc/44/91/93/346449193.db2.gz DIVXWNOLLYQDRF-VIFPVBQESA-N 1 1 194.282 1.427 20 0 ADADMO C[C@H]1CCCC[N@@H+](Cc2cn[nH]n2)C1 336257301 346449197 /nfs/dbraw/zinc/44/91/97/346449197.db2.gz DIVXWNOLLYQDRF-VIFPVBQESA-N 1 1 194.282 1.427 20 0 ADADMO Cc1nccn1CC[N@H+]1CC[C@H](F)C1 336262592 346449207 /nfs/dbraw/zinc/44/92/07/346449207.db2.gz DMCUDVFCUVZGIZ-JTQLQIEISA-N 1 1 197.257 1.235 20 0 ADADMO CC[C@@H](F)C[N@@H+]1CC[C@@H](F)C1 336263235 346449461 /nfs/dbraw/zinc/44/94/61/346449461.db2.gz YWPMTSBLWOBFED-HTQZYQBOSA-N 1 1 163.211 1.778 20 0 ADADMO CC[C@@H](F)C[N@H+]1CC[C@@H](F)C1 336263235 346449463 /nfs/dbraw/zinc/44/94/63/346449463.db2.gz YWPMTSBLWOBFED-HTQZYQBOSA-N 1 1 163.211 1.778 20 0 ADADMO CC(C)[C@H]1CN(C)CC[N@H+]1CC1CC1 336264877 346449484 /nfs/dbraw/zinc/44/94/84/346449484.db2.gz BRYMXMYFGCSBER-GFCCVEGCSA-N 1 1 196.338 1.668 20 0 ADADMO Cc1cnc(C[N@@H+]2CC[C@@H](C)C2)cn1 336265218 346449492 /nfs/dbraw/zinc/44/94/92/346449492.db2.gz ZHXJCSQQTPVREQ-SECBINFHSA-N 1 1 191.278 1.627 20 0 ADADMO Cc1cnc(C[N@@H+]2CC[C@H](C)C2)cn1 336265219 346449524 /nfs/dbraw/zinc/44/95/24/346449524.db2.gz ZHXJCSQQTPVREQ-VIFPVBQESA-N 1 1 191.278 1.627 20 0 ADADMO C[C@H]1CC[N@@H+](CCn2cccn2)[C@@H]1C 336265189 346449537 /nfs/dbraw/zinc/44/95/37/346449537.db2.gz OJUDSZMLIYAPKA-WDEREUQCSA-N 1 1 193.294 1.613 20 0 ADADMO Cc1nc(C[NH+]2C[C@@H](C)[C@H](C)C2)no1 336265181 346449611 /nfs/dbraw/zinc/44/96/11/346449611.db2.gz OCMINWFAQBLBGA-HTQZYQBOSA-N 1 1 195.266 1.466 20 0 ADADMO Cc1nccn1CC[N@@H+]1CC[C@@H](C)C1 336265185 346449651 /nfs/dbraw/zinc/44/96/51/346449651.db2.gz OJPJMYINYIKMBU-SNVBAGLBSA-N 1 1 193.294 1.533 20 0 ADADMO CCc1nnc(C[N@@H+]2CC[C@H](C)C2)o1 336265215 346449692 /nfs/dbraw/zinc/44/96/92/346449692.db2.gz WPMVEIBDPAETNO-QMMMGPOBSA-N 1 1 195.266 1.474 20 0 ADADMO CCc1nnc(C[N@H+]2CC[C@H](C)C2)o1 336265215 346449693 /nfs/dbraw/zinc/44/96/93/346449693.db2.gz WPMVEIBDPAETNO-QMMMGPOBSA-N 1 1 195.266 1.474 20 0 ADADMO Cc1nccn1CC[N@@H+]1CC[C@H](C)C1 336265184 346449708 /nfs/dbraw/zinc/44/97/08/346449708.db2.gz OJPJMYINYIKMBU-JTQLQIEISA-N 1 1 193.294 1.533 20 0 ADADMO C[C@H]1CC[N@@H+](CCc2cnn(C)c2)C1 336265216 346449722 /nfs/dbraw/zinc/44/97/22/346449722.db2.gz YSFHIHJZWSLDMT-JTQLQIEISA-N 1 1 193.294 1.304 20 0 ADADMO C[C@H]1CC[N@@H+](CCn2cccn2)[C@H]1C 336265188 346449800 /nfs/dbraw/zinc/44/98/00/346449800.db2.gz OJUDSZMLIYAPKA-QWRGUYRKSA-N 1 1 193.294 1.613 20 0 ADADMO C[C@H](F)CC[N@H+]1CC[C@@H](F)C1 336263154 346449804 /nfs/dbraw/zinc/44/98/04/346449804.db2.gz VNENIIAHEKPIMR-JGVFFNPUSA-N 1 1 163.211 1.778 20 0 ADADMO C[C@H]1CC[N@@H+](CCN2CCCCC2)C1 336265154 346449824 /nfs/dbraw/zinc/44/98/24/346449824.db2.gz HPCQKVOLBODVLH-LBPRGKRZSA-N 1 1 196.338 1.814 20 0 ADADMO C[C@H]1CCN(CC[NH+]2CCCCC2)C1 336265154 346449827 /nfs/dbraw/zinc/44/98/27/346449827.db2.gz HPCQKVOLBODVLH-LBPRGKRZSA-N 1 1 196.338 1.814 20 0 ADADMO CCn1ccnc1C[N@H+]1CC[C@@H](C)C1 336265192 346449837 /nfs/dbraw/zinc/44/98/37/346449837.db2.gz POHYOSMHMMAQBX-SNVBAGLBSA-N 1 1 193.294 1.745 20 0 ADADMO CC(C)[N@H+]1CCN(C2CC2)C[C@@H](C)C1 336264355 346449890 /nfs/dbraw/zinc/44/98/90/346449890.db2.gz KBDSZPIXOFOVMQ-NSHDSACASA-N 1 1 196.338 1.811 20 0 ADADMO CC(C)N1CC[N@@H+](C2CC2)C[C@@H](C)C1 336264355 346449891 /nfs/dbraw/zinc/44/98/91/346449891.db2.gz KBDSZPIXOFOVMQ-NSHDSACASA-N 1 1 196.338 1.811 20 0 ADADMO CC(C)N1CC[N@H+](C2CC2)C[C@@H](C)C1 336264355 346449896 /nfs/dbraw/zinc/44/98/96/346449896.db2.gz KBDSZPIXOFOVMQ-NSHDSACASA-N 1 1 196.338 1.811 20 0 ADADMO C[C@H]1[C@H](C)CC[N@H+]1CCn1cccn1 336265187 346449903 /nfs/dbraw/zinc/44/99/03/346449903.db2.gz OJUDSZMLIYAPKA-MNOVXSKESA-N 1 1 193.294 1.613 20 0 ADADMO CC(C)[C@@H]1CN(C)CC[N@H+]1CC1CC1 336264878 346449913 /nfs/dbraw/zinc/44/99/13/346449913.db2.gz BRYMXMYFGCSBER-LBPRGKRZSA-N 1 1 196.338 1.668 20 0 ADADMO CCn1ccnc1C[N@H+]1CC[C@H](C)C1 336265191 346449936 /nfs/dbraw/zinc/44/99/36/346449936.db2.gz POHYOSMHMMAQBX-JTQLQIEISA-N 1 1 193.294 1.745 20 0 ADADMO C[C@H](F)CC[N@H+]1CC[C@H](F)C1 336263156 346449968 /nfs/dbraw/zinc/44/99/68/346449968.db2.gz VNENIIAHEKPIMR-YUMQZZPRSA-N 1 1 163.211 1.778 20 0 ADADMO CC[C@H](F)C[N@@H+]1CC[C@@H](F)C1 336263236 346450021 /nfs/dbraw/zinc/45/00/21/346450021.db2.gz YWPMTSBLWOBFED-JGVFFNPUSA-N 1 1 163.211 1.778 20 0 ADADMO CC[C@H](F)C[N@H+]1CC[C@@H](F)C1 336263236 346450023 /nfs/dbraw/zinc/45/00/23/346450023.db2.gz YWPMTSBLWOBFED-JGVFFNPUSA-N 1 1 163.211 1.778 20 0 ADADMO Cc1cncc(C[N@@H+]2CC[C@@H](F)C2)c1 336263228 346450031 /nfs/dbraw/zinc/45/00/31/346450031.db2.gz YNYWBCGEXVGAGK-LLVKDONJSA-N 1 1 194.253 1.934 20 0 ADADMO CC(C)[N@H+]1CCN(C2CC2)C[C@H](C)C1 336264354 346450064 /nfs/dbraw/zinc/45/00/64/346450064.db2.gz KBDSZPIXOFOVMQ-LLVKDONJSA-N 1 1 196.338 1.811 20 0 ADADMO CC(C)N1CC[N@@H+](C2CC2)C[C@H](C)C1 336264354 346450066 /nfs/dbraw/zinc/45/00/66/346450066.db2.gz KBDSZPIXOFOVMQ-LLVKDONJSA-N 1 1 196.338 1.811 20 0 ADADMO CC(C)N1CC[N@H+](C2CC2)C[C@H](C)C1 336264354 346450070 /nfs/dbraw/zinc/45/00/70/346450070.db2.gz KBDSZPIXOFOVMQ-LLVKDONJSA-N 1 1 196.338 1.811 20 0 ADADMO CC[C@@H](F)C[N@@H+]1CC[C@H](F)C1 336263237 346450074 /nfs/dbraw/zinc/45/00/74/346450074.db2.gz YWPMTSBLWOBFED-SFYZADRCSA-N 1 1 163.211 1.778 20 0 ADADMO CC[C@@H](F)C[N@H+]1CC[C@H](F)C1 336263237 346450076 /nfs/dbraw/zinc/45/00/76/346450076.db2.gz YWPMTSBLWOBFED-SFYZADRCSA-N 1 1 163.211 1.778 20 0 ADADMO CC[C@H](F)C[N@@H+]1CC[C@H](F)C1 336263238 346450107 /nfs/dbraw/zinc/45/01/07/346450107.db2.gz YWPMTSBLWOBFED-YUMQZZPRSA-N 1 1 163.211 1.778 20 0 ADADMO CC[C@H](F)C[N@H+]1CC[C@H](F)C1 336263238 346450108 /nfs/dbraw/zinc/45/01/08/346450108.db2.gz YWPMTSBLWOBFED-YUMQZZPRSA-N 1 1 163.211 1.778 20 0 ADADMO CCc1nnc(C[N@@H+]2CC[C@@H](C)C2)o1 336265214 346450139 /nfs/dbraw/zinc/45/01/39/346450139.db2.gz WPMVEIBDPAETNO-MRVPVSSYSA-N 1 1 195.266 1.474 20 0 ADADMO CCc1nnc(C[N@H+]2CC[C@@H](C)C2)o1 336265214 346450142 /nfs/dbraw/zinc/45/01/42/346450142.db2.gz WPMVEIBDPAETNO-MRVPVSSYSA-N 1 1 195.266 1.474 20 0 ADADMO Cc1nc(C[N@@H+]2C[C@@H](C)[C@@H](C)C2)no1 336265182 346450167 /nfs/dbraw/zinc/45/01/67/346450167.db2.gz OCMINWFAQBLBGA-OCAPTIKFSA-N 1 1 195.266 1.466 20 0 ADADMO Cc1nc(C[N@H+]2C[C@@H](C)[C@@H](C)C2)no1 336265182 346450168 /nfs/dbraw/zinc/45/01/68/346450168.db2.gz OCMINWFAQBLBGA-OCAPTIKFSA-N 1 1 195.266 1.466 20 0 ADADMO Cc1cc(C[N@@H+]2CCCOCC2)on1 336265169 346450174 /nfs/dbraw/zinc/45/01/74/346450174.db2.gz MYJRWYLKPAXSGY-UHFFFAOYSA-N 1 1 196.250 1.205 20 0 ADADMO Cc1cc(C[N@H+]2CCCOCC2)on1 336265169 346450176 /nfs/dbraw/zinc/45/01/76/346450176.db2.gz MYJRWYLKPAXSGY-UHFFFAOYSA-N 1 1 196.250 1.205 20 0 ADADMO C[C@H]1[C@H](C)CC[N@H+]1CCn1cncn1 336265196 346450188 /nfs/dbraw/zinc/45/01/88/346450188.db2.gz PPZLBKOXLFMQTJ-ZJUUUORDSA-N 1 1 194.282 1.008 20 0 ADADMO Cc1nc(C[NH+]2C[C@H](C)[C@@H](C)C2)no1 336265183 346450197 /nfs/dbraw/zinc/45/01/97/346450197.db2.gz OCMINWFAQBLBGA-YUMQZZPRSA-N 1 1 195.266 1.466 20 0 ADADMO Cc1cncc(C[N@@H+]2CC[C@H](F)C2)c1 336263229 346450241 /nfs/dbraw/zinc/45/02/41/346450241.db2.gz YNYWBCGEXVGAGK-NSHDSACASA-N 1 1 194.253 1.934 20 0 ADADMO Cc1cncc(C[N@H+]2CC[C@H](F)C2)c1 336263229 346450242 /nfs/dbraw/zinc/45/02/42/346450242.db2.gz YNYWBCGEXVGAGK-NSHDSACASA-N 1 1 194.253 1.934 20 0 ADADMO C[C@H]1CC[N@@H+](CCn2cncn2)[C@@H]1C 336265195 346450256 /nfs/dbraw/zinc/45/02/56/346450256.db2.gz PPZLBKOXLFMQTJ-VHSXEESVSA-N 1 1 194.282 1.008 20 0 ADADMO CCC[N@H+]1CC[C@H](OC)[C@H](C)C1 336275964 346450624 /nfs/dbraw/zinc/45/06/24/346450624.db2.gz BSZCPYHEBLSPDV-ZJUUUORDSA-N 1 1 171.284 1.753 20 0 ADADMO CCC[N@H+]1CCN(C2CC2)C[C@H](C)C1 336268774 346450812 /nfs/dbraw/zinc/45/08/12/346450812.db2.gz KXQTVVTXNSXAPZ-LLVKDONJSA-N 1 1 196.338 1.813 20 0 ADADMO CCCN1CC[N@@H+](C2CC2)C[C@H](C)C1 336268774 346450813 /nfs/dbraw/zinc/45/08/13/346450813.db2.gz KXQTVVTXNSXAPZ-LLVKDONJSA-N 1 1 196.338 1.813 20 0 ADADMO CCCN1CC[N@H+](C2CC2)C[C@H](C)C1 336268774 346450817 /nfs/dbraw/zinc/45/08/17/346450817.db2.gz KXQTVVTXNSXAPZ-LLVKDONJSA-N 1 1 196.338 1.813 20 0 ADADMO Cc1cccc(N2C[C@H](F)[C@H](F)C2)[nH+]1 336268120 346451064 /nfs/dbraw/zinc/45/10/64/346451064.db2.gz WCGCOVIIVOBHSC-DTORHVGOSA-N 1 1 198.216 1.886 20 0 ADADMO CCC[N@H+]1CC[C@@H](OC)[C@@H](C)C1 336275963 346451165 /nfs/dbraw/zinc/45/11/65/346451165.db2.gz BSZCPYHEBLSPDV-VHSXEESVSA-N 1 1 171.284 1.753 20 0 ADADMO Cc1cc[nH+]c(N2C[C@H](F)[C@H](F)C2)c1 336268090 346451206 /nfs/dbraw/zinc/45/12/06/346451206.db2.gz TYCVOHJKVXZJFF-DTORHVGOSA-N 1 1 198.216 1.886 20 0 ADADMO CCC[N@H+]1CC[C@@H](OC)[C@H](C)C1 336275961 346451227 /nfs/dbraw/zinc/45/12/27/346451227.db2.gz BSZCPYHEBLSPDV-NXEZZACHSA-N 1 1 171.284 1.753 20 0 ADADMO CCC[N@H+]1CC[C@H](OC)[C@@H](C)C1 336275962 346451248 /nfs/dbraw/zinc/45/12/48/346451248.db2.gz BSZCPYHEBLSPDV-UWVGGRQHSA-N 1 1 171.284 1.753 20 0 ADADMO CCC[N@H+]1CCN(C2CC2)C[C@@H](C)C1 336268775 346451268 /nfs/dbraw/zinc/45/12/68/346451268.db2.gz KXQTVVTXNSXAPZ-NSHDSACASA-N 1 1 196.338 1.813 20 0 ADADMO CCCN1CC[N@@H+](C2CC2)C[C@@H](C)C1 336268775 346451272 /nfs/dbraw/zinc/45/12/72/346451272.db2.gz KXQTVVTXNSXAPZ-NSHDSACASA-N 1 1 196.338 1.813 20 0 ADADMO CCCN1CC[N@H+](C2CC2)C[C@@H](C)C1 336268775 346451273 /nfs/dbraw/zinc/45/12/73/346451273.db2.gz KXQTVVTXNSXAPZ-NSHDSACASA-N 1 1 196.338 1.813 20 0 ADADMO C[C@H](F)CC[N@H+]1CCCN(C)CC1 336278211 346451731 /nfs/dbraw/zinc/45/17/31/346451731.db2.gz AGJKLSFKMWXSJU-JTQLQIEISA-N 1 1 188.290 1.372 20 0 ADADMO C[C@H](F)CCN1CCC[N@H+](C)CC1 336278211 346451734 /nfs/dbraw/zinc/45/17/34/346451734.db2.gz AGJKLSFKMWXSJU-JTQLQIEISA-N 1 1 188.290 1.372 20 0 ADADMO C[C@H](F)CCN1CCC[N@@H+](C)CC1 336278211 346451736 /nfs/dbraw/zinc/45/17/36/346451736.db2.gz AGJKLSFKMWXSJU-JTQLQIEISA-N 1 1 188.290 1.372 20 0 ADADMO CC[C@H](F)CN1CCC[N@@H+](C)CC1 336278260 346451748 /nfs/dbraw/zinc/45/17/48/346451748.db2.gz HEINEWYYDBARGU-JTQLQIEISA-N 1 1 188.290 1.372 20 0 ADADMO CC[C@H](F)C[N@@H+]1CCCN(C)CC1 336278260 346451752 /nfs/dbraw/zinc/45/17/52/346451752.db2.gz HEINEWYYDBARGU-JTQLQIEISA-N 1 1 188.290 1.372 20 0 ADADMO CC[C@H](F)C[N@H+]1CCCN(C)CC1 336278260 346451754 /nfs/dbraw/zinc/45/17/54/346451754.db2.gz HEINEWYYDBARGU-JTQLQIEISA-N 1 1 188.290 1.372 20 0 ADADMO CC[C@@H](F)CN1CCC[N@@H+](C)CC1 336278261 346451854 /nfs/dbraw/zinc/45/18/54/346451854.db2.gz HEINEWYYDBARGU-SNVBAGLBSA-N 1 1 188.290 1.372 20 0 ADADMO CC[C@@H](F)C[N@@H+]1CCCN(C)CC1 336278261 346451858 /nfs/dbraw/zinc/45/18/58/346451858.db2.gz HEINEWYYDBARGU-SNVBAGLBSA-N 1 1 188.290 1.372 20 0 ADADMO CC[C@@H](F)C[N@H+]1CCCN(C)CC1 336278261 346451861 /nfs/dbraw/zinc/45/18/61/346451861.db2.gz HEINEWYYDBARGU-SNVBAGLBSA-N 1 1 188.290 1.372 20 0 ADADMO CN1CCC[N@H+]([C@H]2C=CCCC2)CC1 336277962 346452012 /nfs/dbraw/zinc/45/20/12/346452012.db2.gz SYSNCHWGPJQHHJ-LBPRGKRZSA-N 1 1 194.322 1.733 20 0 ADADMO Cc1nnc(C[N@@H+](C)C2CCCC2)o1 336282396 346452018 /nfs/dbraw/zinc/45/20/18/346452018.db2.gz ZIPPICUDUQUPOC-UHFFFAOYSA-N 1 1 195.266 1.752 20 0 ADADMO Cc1nnc(C[N@H+](C)C2CCCC2)o1 336282396 346452022 /nfs/dbraw/zinc/45/20/22/346452022.db2.gz ZIPPICUDUQUPOC-UHFFFAOYSA-N 1 1 195.266 1.752 20 0 ADADMO CC[C@H](C)[N@H+]1CC[C@@H](C(=O)N(C)C)C1 336281635 346452069 /nfs/dbraw/zinc/45/20/69/346452069.db2.gz GJCJNSNHARKHTO-VHSXEESVSA-N 1 1 198.310 1.195 20 0 ADADMO CC[C@H](C)[N@H+]1CC[C@H](C(=O)N(C)C)C1 336281634 346452207 /nfs/dbraw/zinc/45/22/07/346452207.db2.gz GJCJNSNHARKHTO-UWVGGRQHSA-N 1 1 198.310 1.195 20 0 ADADMO C[C@H]1CCC(C)(C)[N@H+]1CC(=O)N(C)C 336303025 346452580 /nfs/dbraw/zinc/45/25/80/346452580.db2.gz KTSWADIJOGGSAO-VIFPVBQESA-N 1 1 198.310 1.338 20 0 ADADMO CCC[N@H+]1C[C@@H]2CCN(C)[C@@H]2C1 336291844 346452737 /nfs/dbraw/zinc/45/27/37/346452737.db2.gz XLHBIYKIQOKPNB-VHSXEESVSA-N 1 1 168.284 1.032 20 0 ADADMO CCCC[N@H+]1C[C@@H]2CCN(C)[C@@H]2C1 336291562 346452891 /nfs/dbraw/zinc/45/28/91/346452891.db2.gz KDKWSYSWIIMYNQ-WDEREUQCSA-N 1 1 182.311 1.422 20 0 ADADMO CC(C)[N@H+]1CCO[C@]2(CCO[C@@H]2C)C1 336311744 346453304 /nfs/dbraw/zinc/45/33/04/346453304.db2.gz UTCQKFPQEPZNDU-GHMZBOCLSA-N 1 1 199.294 1.275 20 0 ADADMO CNC(=O)CC[N@H+]1[C@H](C)CCC1(C)C 336303995 346453329 /nfs/dbraw/zinc/45/33/29/346453329.db2.gz HHIOKPJXKVKBDP-SECBINFHSA-N 1 1 198.310 1.385 20 0 ADADMO CNC(=O)CC[N@H+]1[C@@H](C)CCC1(C)C 336303996 346453539 /nfs/dbraw/zinc/45/35/39/346453539.db2.gz HHIOKPJXKVKBDP-VIFPVBQESA-N 1 1 198.310 1.385 20 0 ADADMO CC[C@H](C)C[N@H+]1CCCN(C)CC1 336313097 346453550 /nfs/dbraw/zinc/45/35/50/346453550.db2.gz PKMJJCOPTKUWJZ-NSHDSACASA-N 1 1 184.327 1.670 20 0 ADADMO CC(C)[N@H+]1CCO[C@]2(CCO[C@H]2C)C1 336311747 346453643 /nfs/dbraw/zinc/45/36/43/346453643.db2.gz UTCQKFPQEPZNDU-WDEREUQCSA-N 1 1 199.294 1.275 20 0 ADADMO C[C@H]1CCC(C)(C)[N@H+]1CCCO 336304409 346453651 /nfs/dbraw/zinc/45/36/51/346453651.db2.gz OCVZYXZQOLYHDE-VIFPVBQESA-N 1 1 171.284 1.632 20 0 ADADMO CC(C)[N@H+]1CCO[C@@]2(CCO[C@H]2C)C1 336311746 346453725 /nfs/dbraw/zinc/45/37/25/346453725.db2.gz UTCQKFPQEPZNDU-QWRGUYRKSA-N 1 1 199.294 1.275 20 0 ADADMO CC(C)[N@H+]1CCO[C@@]2(CCO[C@@H]2C)C1 336311745 346453778 /nfs/dbraw/zinc/45/37/78/346453778.db2.gz UTCQKFPQEPZNDU-MNOVXSKESA-N 1 1 199.294 1.275 20 0 ADADMO CC(C)[N@@H+](C)CC(=O)N1CC[C@H](C)C1 336324148 346453994 /nfs/dbraw/zinc/45/39/94/346453994.db2.gz KZHNZWJVOSFQRX-JTQLQIEISA-N 1 1 198.310 1.195 20 0 ADADMO C[C@H]1C[C@H](C)C[NH+](Cc2c[nH]cn2)C1 336328279 346454124 /nfs/dbraw/zinc/45/41/24/346454124.db2.gz GPJCXBSFOAYAIE-UWVGGRQHSA-N 1 1 193.294 1.888 20 0 ADADMO C[C@H]1OCC[N@H+](Cc2ccco2)[C@@H]1C 336323813 346454408 /nfs/dbraw/zinc/45/44/08/346454408.db2.gz YEXCWPUNGKPBDG-NXEZZACHSA-N 1 1 195.262 1.889 20 0 ADADMO C[C@H]1OCC[N@@H+](Cc2ccco2)[C@@H]1C 336323813 346454413 /nfs/dbraw/zinc/45/44/13/346454413.db2.gz YEXCWPUNGKPBDG-NXEZZACHSA-N 1 1 195.262 1.889 20 0 ADADMO C[C@H]1[C@@H](C)OCC[N@@H+]1Cc1ccco1 336323815 346454461 /nfs/dbraw/zinc/45/44/61/346454461.db2.gz YEXCWPUNGKPBDG-VHSXEESVSA-N 1 1 195.262 1.889 20 0 ADADMO C[C@H]1[C@@H](C)OCC[N@H+]1Cc1ccco1 336323815 346454463 /nfs/dbraw/zinc/45/44/63/346454463.db2.gz YEXCWPUNGKPBDG-VHSXEESVSA-N 1 1 195.262 1.889 20 0 ADADMO C[C@H]1C[C@@H](C)C[N@@H+](Cc2c[nH]cn2)C1 336328272 346454516 /nfs/dbraw/zinc/45/45/16/346454516.db2.gz GPJCXBSFOAYAIE-AOOOYVTPSA-N 1 1 193.294 1.888 20 0 ADADMO CCC[N@H+]1CCC[C@@H](C)[C@@H]1CO 336333107 346454874 /nfs/dbraw/zinc/45/48/74/346454874.db2.gz PXZXNKVXBVXDMP-ZJUUUORDSA-N 1 1 171.284 1.489 20 0 ADADMO CCC[N@H+]1CCc2n[nH]cc2C1 336334629 346454897 /nfs/dbraw/zinc/45/48/97/346454897.db2.gz ORKXXRANXSIHIP-UHFFFAOYSA-N 1 1 165.240 1.178 20 0 ADADMO CCC[N@H+]1CCC[C@@H](C)[C@H]1CO 336333104 346454948 /nfs/dbraw/zinc/45/49/48/346454948.db2.gz PXZXNKVXBVXDMP-NXEZZACHSA-N 1 1 171.284 1.489 20 0 ADADMO CC(C)[N@@H+](C)C[C@H]1CCCOC1 336334659 346454955 /nfs/dbraw/zinc/45/49/55/346454955.db2.gz UVLVAJRJCKZKEU-SNVBAGLBSA-N 1 1 171.284 1.753 20 0 ADADMO CCC[N@H+]1CCC[C@H](C)[C@@H]1CO 336333105 346454983 /nfs/dbraw/zinc/45/49/83/346454983.db2.gz PXZXNKVXBVXDMP-UWVGGRQHSA-N 1 1 171.284 1.489 20 0 ADADMO CCC[N@H+]1C[C@@H](C)OC(C)(C)C1 336334544 346455020 /nfs/dbraw/zinc/45/50/20/346455020.db2.gz FKLUXFRMDZPVRG-SECBINFHSA-N 1 1 171.284 1.896 20 0 ADADMO 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1 1 198.310 1.195 20 0 ADADMO C[C@H]1CC[N@@H+](CCC(=O)N(C)C)[C@@H]1C 336473694 346465227 /nfs/dbraw/zinc/46/52/27/346465227.db2.gz YUGUZZJEYKPWDL-VHSXEESVSA-N 1 1 198.310 1.195 20 0 ADADMO CNC(=O)C[N@H+]1CC[C@@H](C(C)(C)C)C1 336475507 346465359 /nfs/dbraw/zinc/46/53/59/346465359.db2.gz RFGNUTBNHVZHIQ-SECBINFHSA-N 1 1 198.310 1.100 20 0 ADADMO CC[C@H](CO)[N@@H+](C)CCSC 379166290 346489456 /nfs/dbraw/zinc/48/94/56/346489456.db2.gz NOTLDWGPQCAULW-MRVPVSSYSA-N 1 1 177.313 1.052 20 0 ADADMO C[C@H]1[C@H](C)CC[N@H+]1CCC(=O)N(C)C 336473695 346465573 /nfs/dbraw/zinc/46/55/73/346465573.db2.gz YUGUZZJEYKPWDL-ZJUUUORDSA-N 1 1 198.310 1.195 20 0 ADADMO Cc1[nH+]cn(CC2(O)CCC2)c1C 336481304 346465950 /nfs/dbraw/zinc/46/59/50/346465950.db2.gz PSAHWFSJJDRZGN-UHFFFAOYSA-N 1 1 180.251 1.415 20 0 ADADMO CC[C@@H]1C[C@H](C)C[N@H+]1CC(=O)N(C)C 336484553 346466155 /nfs/dbraw/zinc/46/61/55/346466155.db2.gz LFAOASZQEDHYHL-VHSXEESVSA-N 1 1 198.310 1.195 20 0 ADADMO Cc1[nH+]ccn1C[C@@H]1CCCOC1 336481285 346466233 /nfs/dbraw/zinc/46/62/33/346466233.db2.gz KWBOKTYXVCPPNK-JTQLQIEISA-N 1 1 180.251 1.618 20 0 ADADMO CCc1[nH+]ccn1CC1(O)CCC1 336481313 346466380 /nfs/dbraw/zinc/46/63/80/346466380.db2.gz SILBYJJLMQKIEL-UHFFFAOYSA-N 1 1 180.251 1.361 20 0 ADADMO Cc1cnc(Cn2cc[nH+]c2C)o1 336481315 346466519 /nfs/dbraw/zinc/46/65/19/346466519.db2.gz VCAKDDDLSOCFTR-UHFFFAOYSA-N 1 1 177.207 1.536 20 0 ADADMO Cc1[nH+]ccn1C[C@H]1CCCOC1 336481286 346466533 /nfs/dbraw/zinc/46/65/33/346466533.db2.gz KWBOKTYXVCPPNK-SNVBAGLBSA-N 1 1 180.251 1.618 20 0 ADADMO CC[C@H]1C[C@@H](C)C[N@H+]1CC(=O)N(C)C 336484554 346466551 /nfs/dbraw/zinc/46/65/51/346466551.db2.gz LFAOASZQEDHYHL-ZJUUUORDSA-N 1 1 198.310 1.195 20 0 ADADMO Cc1nnc(C[N@H+]2C[C@@H](C)C[C@@H]2C)o1 336486049 346466866 /nfs/dbraw/zinc/46/68/66/346466866.db2.gz BDTAPTKHHQVAQX-YUMQZZPRSA-N 1 1 195.266 1.608 20 0 ADADMO CC1(C)CC[N@@H+](CCn2cccn2)C1 336486078 346467001 /nfs/dbraw/zinc/46/70/01/346467001.db2.gz KCLOZNDREOOUJN-UHFFFAOYSA-N 1 1 193.294 1.615 20 0 ADADMO Cc1nnc(C[N@H+]2C[C@@H](C)[C@@H](C)C2)o1 336486125 346467066 /nfs/dbraw/zinc/46/70/66/346467066.db2.gz SVDKVDLEJGBPHI-OCAPTIKFSA-N 1 1 195.266 1.466 20 0 ADADMO CC[C@H]1COCC[N@H+]1C[C@@H]1CCCO1 336486123 346467151 /nfs/dbraw/zinc/46/71/51/346467151.db2.gz SUOPRXLDDPWMNB-QWRGUYRKSA-N 1 1 199.294 1.276 20 0 ADADMO Cc1nnc(C[N@H+]2C[C@H](C)C[C@H]2C)o1 336486046 346467163 /nfs/dbraw/zinc/46/71/63/346467163.db2.gz BDTAPTKHHQVAQX-HTQZYQBOSA-N 1 1 195.266 1.608 20 0 ADADMO C[C@H]1C[C@@H](C)C[N@@H+]1CCn1ccnc1 336486090 346467185 /nfs/dbraw/zinc/46/71/85/346467185.db2.gz LKLFCZJEBSGAGQ-MNOVXSKESA-N 1 1 193.294 1.613 20 0 ADADMO Cc1nnc(C[N@H+]2C[C@H](C)C[C@@H]2C)o1 336486048 346467194 /nfs/dbraw/zinc/46/71/94/346467194.db2.gz BDTAPTKHHQVAQX-SFYZADRCSA-N 1 1 195.266 1.608 20 0 ADADMO C[C@H]1C[C@@H](C)[N@@H+](CCn2cccn2)C1 336486058 346467230 /nfs/dbraw/zinc/46/72/30/346467230.db2.gz CIQRTXQLMARNPR-WDEREUQCSA-N 1 1 193.294 1.613 20 0 ADADMO Cc1nnc(C[N@H+]2C[C@@H](C)C[C@H]2C)o1 336486047 346467234 /nfs/dbraw/zinc/46/72/34/346467234.db2.gz BDTAPTKHHQVAQX-JGVFFNPUSA-N 1 1 195.266 1.608 20 0 ADADMO C[C@H]1C[C@H](C)[N@@H+](Cc2nccn2C)C1 336486052 346467241 /nfs/dbraw/zinc/46/72/41/346467241.db2.gz BOOBZPDIGMWODD-UWVGGRQHSA-N 1 1 193.294 1.650 20 0 ADADMO C[C@H]1C[C@H](C)[N@@H+](CCn2cccn2)C1 336486057 346467266 /nfs/dbraw/zinc/46/72/66/346467266.db2.gz CIQRTXQLMARNPR-QWRGUYRKSA-N 1 1 193.294 1.613 20 0 ADADMO C[C@H]1C[C@@H](C)[N@@H+](CCn2ccnc2)C1 336486092 346467293 /nfs/dbraw/zinc/46/72/93/346467293.db2.gz LKLFCZJEBSGAGQ-WDEREUQCSA-N 1 1 193.294 1.613 20 0 ADADMO CC1(C)CC[N@@H+](CCn2ccnc2)C1 336486172 346467337 /nfs/dbraw/zinc/46/73/37/346467337.db2.gz VYWHRGKWHUCGRE-UHFFFAOYSA-N 1 1 193.294 1.615 20 0 ADADMO C[C@H]1C[C@@H](C)[N@@H+](Cc2nccn2C)C1 336486053 346467348 /nfs/dbraw/zinc/46/73/48/346467348.db2.gz BOOBZPDIGMWODD-VHSXEESVSA-N 1 1 193.294 1.650 20 0 ADADMO C[C@H]1C[C@@H](C)C[N@@H+]1CCn1cccn1 336486056 346467367 /nfs/dbraw/zinc/46/73/67/346467367.db2.gz CIQRTXQLMARNPR-MNOVXSKESA-N 1 1 193.294 1.613 20 0 ADADMO C[C@H]1C[C@H](C)[N@@H+](CCn2ccnc2)C1 336486091 346467372 /nfs/dbraw/zinc/46/73/72/346467372.db2.gz LKLFCZJEBSGAGQ-QWRGUYRKSA-N 1 1 193.294 1.613 20 0 ADADMO C[C@H]1C[C@@H](C)C[N@@H+]1Cc1nccn1C 336486054 346467418 /nfs/dbraw/zinc/46/74/18/346467418.db2.gz BOOBZPDIGMWODD-ZJUUUORDSA-N 1 1 193.294 1.650 20 0 ADADMO Cc1noc(C[N@@H+]2CCC(C)(C)C2)n1 336486086 346467425 /nfs/dbraw/zinc/46/74/25/346467425.db2.gz LDWFWRYBZCCCQE-UHFFFAOYSA-N 1 1 195.266 1.610 20 0 ADADMO Cc1noc(C[N@H+]2CCC(C)(C)C2)n1 336486086 346467427 /nfs/dbraw/zinc/46/74/27/346467427.db2.gz LDWFWRYBZCCCQE-UHFFFAOYSA-N 1 1 195.266 1.610 20 0 ADADMO CC[C@@H]1COCC[N@H+]1C[C@@H]1CCCO1 336486122 346467447 /nfs/dbraw/zinc/46/74/47/346467447.db2.gz SUOPRXLDDPWMNB-MNOVXSKESA-N 1 1 199.294 1.276 20 0 ADADMO Cc1noc(C[NH+]2CCCCCC2)n1 336495658 346467839 /nfs/dbraw/zinc/46/78/39/346467839.db2.gz FDWVZFNTQOAEMD-UHFFFAOYSA-N 1 1 195.266 1.754 20 0 ADADMO C[C@H]1CCC[N@@H+](C[C@@H]2COCCO2)C1 336495655 346467878 /nfs/dbraw/zinc/46/78/78/346467878.db2.gz BSTGVFVXMWBXFF-WDEREUQCSA-N 1 1 199.294 1.134 20 0 ADADMO C[C@H]1CC[N@@H+](CCc2ccncc2)C1 336504074 346467913 /nfs/dbraw/zinc/46/79/13/346467913.db2.gz OWGYFZJWGCTMNB-NSHDSACASA-N 1 1 190.290 1.966 20 0 ADADMO C[C@H]1CC[N@@H+](Cc2cc[nH]n2)C[C@H]1C 336495846 346468051 /nfs/dbraw/zinc/46/80/51/346468051.db2.gz PVNPVOZKEGGYBZ-VHSXEESVSA-N 1 1 193.294 1.888 20 0 ADADMO CCc1[nH+]ccn1Cc1cnoc1C 336505921 346468126 /nfs/dbraw/zinc/46/81/26/346468126.db2.gz KCPOLFMCQMKGGI-UHFFFAOYSA-N 1 1 191.234 1.790 20 0 ADADMO C[C@H]1CC[C@H](C)[N@@H+](CC(=O)N(C)C)C1 336495823 346468163 /nfs/dbraw/zinc/46/81/63/346468163.db2.gz ZAGXSOMHUCFGFV-UWVGGRQHSA-N 1 1 198.310 1.195 20 0 ADADMO C[C@H](c1nncn1C)[NH+]1CCCCC1 336499353 346468227 /nfs/dbraw/zinc/46/82/27/346468227.db2.gz IOFUHJLWIUUWAI-SECBINFHSA-N 1 1 194.282 1.362 20 0 ADADMO C[C@H]1CC[N@@H+](Cc2cc[nH]n2)C[C@@H]1C 336495845 346468251 /nfs/dbraw/zinc/46/82/51/346468251.db2.gz PVNPVOZKEGGYBZ-UWVGGRQHSA-N 1 1 193.294 1.888 20 0 ADADMO C[C@H]1CCC[N@@H+](C[C@H]2COCCO2)C1 336495654 346468269 /nfs/dbraw/zinc/46/82/69/346468269.db2.gz BSTGVFVXMWBXFF-QWRGUYRKSA-N 1 1 199.294 1.134 20 0 ADADMO C[C@H]1CC[N@@H+](CCc2ccccn2)C1 336504084 346468394 /nfs/dbraw/zinc/46/83/94/346468394.db2.gz RJFMSPYADRJLPI-NSHDSACASA-N 1 1 190.290 1.966 20 0 ADADMO CC1=CC[N@@H+](Cc2ccnn2C)CC1 336511221 346468702 /nfs/dbraw/zinc/46/87/02/346468702.db2.gz ZUYQMSOIJOARJF-UHFFFAOYSA-N 1 1 191.278 1.572 20 0 ADADMO CNC(=O)C[N@@H+](C)[C@@H]1CCCC[C@H]1C 336515356 346468833 /nfs/dbraw/zinc/46/88/33/346468833.db2.gz LILCQHRBRKVPBD-NXEZZACHSA-N 1 1 198.310 1.243 20 0 ADADMO CNC(=O)C[N@@H+](C)[C@@H]1CCCC[C@@H]1C 336515358 346468956 /nfs/dbraw/zinc/46/89/56/346468956.db2.gz LILCQHRBRKVPBD-VHSXEESVSA-N 1 1 198.310 1.243 20 0 ADADMO CCC[N@H+]1CCC[C@H]1c1nc(C)no1 336521032 346469003 /nfs/dbraw/zinc/46/90/03/346469003.db2.gz KSRWFGOFUIDDDW-VIFPVBQESA-N 1 1 195.266 1.925 20 0 ADADMO CNC(=O)C[N@@H+](C)[C@H]1CCCC[C@@H]1C 336515357 346469011 /nfs/dbraw/zinc/46/90/11/346469011.db2.gz LILCQHRBRKVPBD-UWVGGRQHSA-N 1 1 198.310 1.243 20 0 ADADMO CNC(=O)C[N@@H+](C)[C@H]1CCCC[C@H]1C 336515359 346469054 /nfs/dbraw/zinc/46/90/54/346469054.db2.gz LILCQHRBRKVPBD-ZJUUUORDSA-N 1 1 198.310 1.243 20 0 ADADMO Cc1ncc(C[N@H+](C)C2CCC2)cn1 336509032 346469199 /nfs/dbraw/zinc/46/91/99/346469199.db2.gz CYVRHZBGWXGVAQ-UHFFFAOYSA-N 1 1 191.278 1.769 20 0 ADADMO CC(C)[N@@H+](C)CC(=O)N1CCC[C@@H]1C 336525432 346469576 /nfs/dbraw/zinc/46/95/76/346469576.db2.gz JTYNAMYKEMJBIC-JTQLQIEISA-N 1 1 198.310 1.338 20 0 ADADMO CC[C@H](C)N(C)C(=O)[C@@H]1CC[N@@H+](C)C1 336529476 346469626 /nfs/dbraw/zinc/46/96/26/346469626.db2.gz WXEAFONRJGIUBK-VHSXEESVSA-N 1 1 198.310 1.195 20 0 ADADMO CCc1nc(CN2CC[C@H](C)C2)n[nH]1 336533629 346469762 /nfs/dbraw/zinc/46/97/62/346469762.db2.gz DPTDUVUCBWDAIG-QMMMGPOBSA-N 1 1 194.282 1.209 20 0 ADADMO CCc1nnc(C[N@@H+]2CC[C@H](C)C2)[nH]1 336533629 346469763 /nfs/dbraw/zinc/46/97/63/346469763.db2.gz DPTDUVUCBWDAIG-QMMMGPOBSA-N 1 1 194.282 1.209 20 0 ADADMO CCc1nnc(C[N@H+]2CC[C@H](C)C2)[nH]1 336533629 346469764 /nfs/dbraw/zinc/46/97/64/346469764.db2.gz DPTDUVUCBWDAIG-QMMMGPOBSA-N 1 1 194.282 1.209 20 0 ADADMO CC[C@H](C)N(C)C(=O)[C@H]1CC[N@@H+](C)C1 336529472 346470099 /nfs/dbraw/zinc/47/00/99/346470099.db2.gz WXEAFONRJGIUBK-UWVGGRQHSA-N 1 1 198.310 1.195 20 0 ADADMO CCc1nc(CN2CC[C@@H](C)C2)n[nH]1 336533628 346470163 /nfs/dbraw/zinc/47/01/63/346470163.db2.gz DPTDUVUCBWDAIG-MRVPVSSYSA-N 1 1 194.282 1.209 20 0 ADADMO CCc1nnc(C[N@@H+]2CC[C@@H](C)C2)[nH]1 336533628 346470167 /nfs/dbraw/zinc/47/01/67/346470167.db2.gz DPTDUVUCBWDAIG-MRVPVSSYSA-N 1 1 194.282 1.209 20 0 ADADMO CCc1nnc(C[N@H+]2CC[C@@H](C)C2)[nH]1 336533628 346470170 /nfs/dbraw/zinc/47/01/70/346470170.db2.gz DPTDUVUCBWDAIG-MRVPVSSYSA-N 1 1 194.282 1.209 20 0 ADADMO CC[C@@]1(C)CCC[N@@H+](CC(=O)NC)C1 336546320 346470462 /nfs/dbraw/zinc/47/04/62/346470462.db2.gz 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CCC[N@@H+](Cc1nc(C)no1)C1CC1 590943335 346797602 /nfs/dbraw/zinc/79/76/02/346797602.db2.gz LEDGSHYXPJVOOD-UHFFFAOYSA-N 1 1 195.266 1.752 20 0 ADADMO CCC[N@H+](Cc1nnc(C)o1)C1CC1 590943193 346797622 /nfs/dbraw/zinc/79/76/22/346797622.db2.gz CUAUKWYWSHKZPN-UHFFFAOYSA-N 1 1 195.266 1.752 20 0 ADADMO CCC[N@@H+](Cc1nnc(C)o1)C1CC1 590943193 346797625 /nfs/dbraw/zinc/79/76/25/346797625.db2.gz CUAUKWYWSHKZPN-UHFFFAOYSA-N 1 1 195.266 1.752 20 0 ADADMO CCC[N@@H+](Cc1cnn(C)c1)C1CC1 590943301 346797638 /nfs/dbraw/zinc/79/76/38/346797638.db2.gz SKMYZDHOCGLFIY-UHFFFAOYSA-N 1 1 193.294 1.795 20 0 ADADMO CCCNC(=O)C[N@@H+](CCC)C1CC1 590943204 346797680 /nfs/dbraw/zinc/79/76/80/346797680.db2.gz MNKPYDWLNSUDON-UHFFFAOYSA-N 1 1 198.310 1.387 20 0 ADADMO CCC[N@H+](Cc1nncn1C)C1CC1 590943258 346797742 /nfs/dbraw/zinc/79/77/42/346797742.db2.gz KSQXROZLRCYMME-UHFFFAOYSA-N 1 1 194.282 1.190 20 0 ADADMO CCC[N@@H+](Cc1nncn1C)C1CC1 590943258 346797744 /nfs/dbraw/zinc/79/77/44/346797744.db2.gz KSQXROZLRCYMME-UHFFFAOYSA-N 1 1 194.282 1.190 20 0 ADADMO COCCC[N@H+]1CCS[C@H](C)C1 590944117 346797852 /nfs/dbraw/zinc/79/78/52/346797852.db2.gz HAHUQMQDCJLNCQ-SECBINFHSA-N 1 1 189.324 1.460 20 0 ADADMO CCC[N@@H+](CC(=O)NC(C)C)C1CC1 590943210 346797874 /nfs/dbraw/zinc/79/78/74/346797874.db2.gz RKSJLCQUKBTHFU-UHFFFAOYSA-N 1 1 198.310 1.385 20 0 ADADMO CCC[N@@H+](CCn1cccn1)C1CC1 590943339 346797887 /nfs/dbraw/zinc/79/78/87/346797887.db2.gz RYULHFRCPWIXLY-UHFFFAOYSA-N 1 1 193.294 1.758 20 0 ADADMO CCC[N@@H+](CCn1cncn1)C1CC1 590943253 346797907 /nfs/dbraw/zinc/79/79/07/346797907.db2.gz KDZLDFRREBFKAV-UHFFFAOYSA-N 1 1 194.282 1.153 20 0 ADADMO CCC[N@@H+](CC(=O)N(C)CC)C1CC1 590943342 346797951 /nfs/dbraw/zinc/79/79/51/346797951.db2.gz XASBUEAEQQDRJN-UHFFFAOYSA-N 1 1 198.310 1.339 20 0 ADADMO CCC[N@H+]1CCC[C@@H](n2ccnc2)C1 591082337 346802682 /nfs/dbraw/zinc/80/26/82/346802682.db2.gz OMUAQOWAPOPWID-LLVKDONJSA-N 1 1 193.294 1.930 20 0 ADADMO CCC[N@H+]1CCC[C@](C)(C(=O)OC)C1 591054139 346802806 /nfs/dbraw/zinc/80/28/06/346802806.db2.gz ZDWXPSURVINWCP-NSHDSACASA-N 1 1 199.294 1.672 20 0 ADADMO COC(=O)CC[N@H+]1CC(C)(C)C[C@@H]1C 591051576 346802874 /nfs/dbraw/zinc/80/28/74/346802874.db2.gz MXYPLPAQYIHTAG-VIFPVBQESA-N 1 1 199.294 1.670 20 0 ADADMO CCOC(=O)C[N@H+]1CC(C)(C)C[C@H]1C 591051571 346802947 /nfs/dbraw/zinc/80/29/47/346802947.db2.gz JAXDLTCRWXBGJY-SECBINFHSA-N 1 1 199.294 1.670 20 0 ADADMO CCC[N@H+]1CCC[C@H](n2ccnc2)C1 591082342 346802960 /nfs/dbraw/zinc/80/29/60/346802960.db2.gz OMUAQOWAPOPWID-NSHDSACASA-N 1 1 193.294 1.930 20 0 ADADMO COC(=O)C[N@H+]1CC[C@@H](C2CCC2)C1 591062077 346802989 /nfs/dbraw/zinc/80/29/89/346802989.db2.gz UWLUDFUBCDTKSN-SNVBAGLBSA-N 1 1 197.278 1.281 20 0 ADADMO COC(=O)C[N@H+]1CC[C@H](C2CCC2)C1 591062076 346803061 /nfs/dbraw/zinc/80/30/61/346803061.db2.gz UWLUDFUBCDTKSN-JTQLQIEISA-N 1 1 197.278 1.281 20 0 ADADMO COC(=O)CC[N@H+]1CC(C)(C)C[C@H]1C 591051575 346803104 /nfs/dbraw/zinc/80/31/04/346803104.db2.gz MXYPLPAQYIHTAG-SECBINFHSA-N 1 1 199.294 1.670 20 0 ADADMO CCC[N@H+]1CCC[C@@](C)(C(=O)OC)C1 591054135 346803118 /nfs/dbraw/zinc/80/31/18/346803118.db2.gz ZDWXPSURVINWCP-LLVKDONJSA-N 1 1 199.294 1.672 20 0 ADADMO CCOC(=O)C[N@H+]1CC(C)(C)C[C@@H]1C 591051572 346803146 /nfs/dbraw/zinc/80/31/46/346803146.db2.gz JAXDLTCRWXBGJY-VIFPVBQESA-N 1 1 199.294 1.670 20 0 ADADMO CCCNC(=O)[C@H]1CCCC[N@H+]1CC 591092293 346803458 /nfs/dbraw/zinc/80/34/58/346803458.db2.gz XPOZDMIKIJASLF-SNVBAGLBSA-N 1 1 198.310 1.387 20 0 ADADMO CCC[N@@H+](CCOC)CC(C)(C)O 591101712 346803474 /nfs/dbraw/zinc/80/34/74/346803474.db2.gz IGWAOXYRLVCIQA-UHFFFAOYSA-N 1 1 189.299 1.116 20 0 ADADMO CCCCCNC(=O)[C@@H]1CC[N@@H+](C)C1 591092409 346803808 /nfs/dbraw/zinc/80/38/08/346803808.db2.gz MXLICHXWEVCUDU-SNVBAGLBSA-N 1 1 198.310 1.245 20 0 ADADMO CCCCCNC(=O)[C@H]1CC[N@@H+](C)C1 591092408 346803828 /nfs/dbraw/zinc/80/38/28/346803828.db2.gz MXLICHXWEVCUDU-JTQLQIEISA-N 1 1 198.310 1.245 20 0 ADADMO CCCNC(=O)[C@@H]1CCCC[N@H+]1CC 591092292 346803911 /nfs/dbraw/zinc/80/39/11/346803911.db2.gz XPOZDMIKIJASLF-JTQLQIEISA-N 1 1 198.310 1.387 20 0 ADADMO C[N@H+]1CC[C@H](CSCCCO)C1 591134331 346808547 /nfs/dbraw/zinc/80/85/47/346808547.db2.gz SPSXGCIADTWXLM-VIFPVBQESA-N 1 1 189.324 1.054 20 0 ADADMO C[N@H+]1CC[C@@H](CSCCCO)C1 591134330 346808570 /nfs/dbraw/zinc/80/85/70/346808570.db2.gz SPSXGCIADTWXLM-SECBINFHSA-N 1 1 189.324 1.054 20 0 ADADMO COC(=O)[C@@H](CC1CC1)[NH2+]C(C)C 591263390 346810342 /nfs/dbraw/zinc/81/03/42/346810342.db2.gz OEQNNQAWLGXSDQ-SECBINFHSA-N 1 1 185.267 1.326 20 0 ADADMO COC(=O)[C@H](CC1CC1)[NH2+]CC(C)C 591263378 346810193 /nfs/dbraw/zinc/81/01/93/346810193.db2.gz KFBTUTHQZYVIFB-JTQLQIEISA-N 1 1 199.294 1.574 20 0 ADADMO COC(=O)[C@H](CC1CC1)[NH2+]C(C)C 591263391 346810292 /nfs/dbraw/zinc/81/02/92/346810292.db2.gz OEQNNQAWLGXSDQ-VIFPVBQESA-N 1 1 185.267 1.326 20 0 ADADMO COC(=O)[C@@H](CC1CC1)[NH2+]CC(C)C 591263379 346810333 /nfs/dbraw/zinc/81/03/33/346810333.db2.gz KFBTUTHQZYVIFB-SNVBAGLBSA-N 1 1 199.294 1.574 20 0 ADADMO CC[C@@H](C)[N@H+](C)Cc1nncn1C 591376404 346812099 /nfs/dbraw/zinc/81/20/99/346812099.db2.gz SHDVTRIQKAFCQM-MRVPVSSYSA-N 1 1 182.271 1.045 20 0 ADADMO CC[C@@H](C)[N@@H+](C)Cc1nncn1C 591376404 346812101 /nfs/dbraw/zinc/81/21/01/346812101.db2.gz SHDVTRIQKAFCQM-MRVPVSSYSA-N 1 1 182.271 1.045 20 0 ADADMO CC[C@@H](C)[N@@H+](C)Cc1cnn(C)c1 591376376 346812123 /nfs/dbraw/zinc/81/21/23/346812123.db2.gz COYKUHGPKCPFEC-SECBINFHSA-N 1 1 181.283 1.650 20 0 ADADMO CC[C@@H](C)[N@@H+](C)CCn1cncn1 591376412 346812217 /nfs/dbraw/zinc/81/22/17/346812217.db2.gz VFKPJQYWTPNZJJ-SECBINFHSA-N 1 1 182.271 1.008 20 0 ADADMO CCc1noc(C[N@@H+](C)[C@H](C)CC)n1 591376414 346812345 /nfs/dbraw/zinc/81/23/45/346812345.db2.gz WUVSCAFTXGIPOR-MRVPVSSYSA-N 1 1 197.282 1.862 20 0 ADADMO CCc1noc(C[N@H+](C)[C@H](C)CC)n1 591376414 346812348 /nfs/dbraw/zinc/81/23/48/346812348.db2.gz WUVSCAFTXGIPOR-MRVPVSSYSA-N 1 1 197.282 1.862 20 0 ADADMO CCc1noc(C[N@@H+](C)[C@@H](C)CC)n1 591376415 346812401 /nfs/dbraw/zinc/81/24/01/346812401.db2.gz WUVSCAFTXGIPOR-QMMMGPOBSA-N 1 1 197.282 1.862 20 0 ADADMO CCc1noc(C[N@H+](C)[C@@H](C)CC)n1 591376415 346812403 /nfs/dbraw/zinc/81/24/03/346812403.db2.gz WUVSCAFTXGIPOR-QMMMGPOBSA-N 1 1 197.282 1.862 20 0 ADADMO CCCC[N@H+]1CCCC[C@@H]1C(=O)NC 591373611 346812417 /nfs/dbraw/zinc/81/24/17/346812417.db2.gz SJUAKZRTWZEUMD-SNVBAGLBSA-N 1 1 198.310 1.387 20 0 ADADMO CC[C@H](C)[N@@H+](C)Cc1cnn(C)c1 591376377 346812479 /nfs/dbraw/zinc/81/24/79/346812479.db2.gz COYKUHGPKCPFEC-VIFPVBQESA-N 1 1 181.283 1.650 20 0 ADADMO CC[C@H](C)[N@H+](C)Cc1nncn1C 591376405 346812507 /nfs/dbraw/zinc/81/25/07/346812507.db2.gz SHDVTRIQKAFCQM-QMMMGPOBSA-N 1 1 182.271 1.045 20 0 ADADMO CC[C@H](C)[N@@H+](C)Cc1nncn1C 591376405 346812510 /nfs/dbraw/zinc/81/25/10/346812510.db2.gz SHDVTRIQKAFCQM-QMMMGPOBSA-N 1 1 182.271 1.045 20 0 ADADMO CC[C@@H](C)[N@@H+](C)Cc1nnc(C)o1 591376418 346812519 /nfs/dbraw/zinc/81/25/19/346812519.db2.gz YPDYBSLEYKQPDE-SSDOTTSWSA-N 1 1 183.255 1.608 20 0 ADADMO CCc1nnc(C[N@@H+](C)[C@H](C)CC)o1 591376410 346812583 /nfs/dbraw/zinc/81/25/83/346812583.db2.gz VALGHCZRTDWMII-MRVPVSSYSA-N 1 1 197.282 1.862 20 0 ADADMO CCc1nnc(C[N@H+](C)[C@H](C)CC)o1 591376410 346812586 /nfs/dbraw/zinc/81/25/86/346812586.db2.gz VALGHCZRTDWMII-MRVPVSSYSA-N 1 1 197.282 1.862 20 0 ADADMO CCCC[N@H+]1CCCC[C@H]1C(=O)NC 591373610 346812613 /nfs/dbraw/zinc/81/26/13/346812613.db2.gz SJUAKZRTWZEUMD-JTQLQIEISA-N 1 1 198.310 1.387 20 0 ADADMO CC[C@H](C)[N@H+](C)Cc1nnc(C)o1 591376419 346812680 /nfs/dbraw/zinc/81/26/80/346812680.db2.gz YPDYBSLEYKQPDE-ZETCQYMHSA-N 1 1 183.255 1.608 20 0 ADADMO CC[C@H](C)[N@@H+](C)Cc1nnc(C)o1 591376419 346812684 /nfs/dbraw/zinc/81/26/84/346812684.db2.gz YPDYBSLEYKQPDE-ZETCQYMHSA-N 1 1 183.255 1.608 20 0 ADADMO CC[C@H](C)[N@@H+](C)CCn1cncn1 591376413 346812692 /nfs/dbraw/zinc/81/26/92/346812692.db2.gz VFKPJQYWTPNZJJ-VIFPVBQESA-N 1 1 182.271 1.008 20 0 ADADMO CCc1nnc(C[N@@H+](C)[C@@H](C)CC)o1 591376411 346812701 /nfs/dbraw/zinc/81/27/01/346812701.db2.gz VALGHCZRTDWMII-QMMMGPOBSA-N 1 1 197.282 1.862 20 0 ADADMO CCc1nnc(C[N@H+](C)[C@@H](C)CC)o1 591376411 346812706 /nfs/dbraw/zinc/81/27/06/346812706.db2.gz VALGHCZRTDWMII-QMMMGPOBSA-N 1 1 197.282 1.862 20 0 ADADMO CC[C@H](C)[N@@H+](C)CCN1CCCC1=O 591377302 346813082 /nfs/dbraw/zinc/81/30/82/346813082.db2.gz YRRSSCVUKFYWEP-JTQLQIEISA-N 1 1 198.310 1.339 20 0 ADADMO CC[C@H](C)[N@@H+](C)C[C@@H]1CCOC1 591377220 346813093 /nfs/dbraw/zinc/81/30/93/346813093.db2.gz AHIOICJWWLLCBY-UWVGGRQHSA-N 1 1 171.284 1.753 20 0 ADADMO CC[C@H](C)[N@@H+](C)Cc1nccn1C 591377266 346813104 /nfs/dbraw/zinc/81/31/04/346813104.db2.gz QYCRVQPUAUAHLU-VIFPVBQESA-N 1 1 181.283 1.650 20 0 ADADMO CC[C@H](C)[N@@H+](C)C[C@H]1CCOC1 591377221 346813134 /nfs/dbraw/zinc/81/31/34/346813134.db2.gz AHIOICJWWLLCBY-VHSXEESVSA-N 1 1 171.284 1.753 20 0 ADADMO CC[C@H](C)[N@@H+](C)CCCOC 591377282 346813155 /nfs/dbraw/zinc/81/31/55/346813155.db2.gz UCZHCCSIZFYPRJ-VIFPVBQESA-N 1 1 159.273 1.753 20 0 ADADMO CC[C@@H](C)[N@@H+](C)C[C@@H]1CCOC1 591377222 346813190 /nfs/dbraw/zinc/81/31/90/346813190.db2.gz AHIOICJWWLLCBY-ZJUUUORDSA-N 1 1 171.284 1.753 20 0 ADADMO CC[C@@H](C)[N@@H+](C)C[C@H]1CCOC1 591377219 346813194 /nfs/dbraw/zinc/81/31/94/346813194.db2.gz AHIOICJWWLLCBY-NXEZZACHSA-N 1 1 171.284 1.753 20 0 ADADMO CC[C@@H](C)[N@@H+](C)Cc1nccn1C 591377265 346813265 /nfs/dbraw/zinc/81/32/65/346813265.db2.gz QYCRVQPUAUAHLU-SECBINFHSA-N 1 1 181.283 1.650 20 0 ADADMO CC[C@@H](C)[N@@H+](C)CCN1CCCC1=O 591377303 346813282 /nfs/dbraw/zinc/81/32/82/346813282.db2.gz YRRSSCVUKFYWEP-SNVBAGLBSA-N 1 1 198.310 1.339 20 0 ADADMO CC[C@@H](C)[N@@H+](C)CC(=O)NCC1CC1 591377300 346813312 /nfs/dbraw/zinc/81/33/12/346813312.db2.gz YHLNUKAIXWJXIS-SECBINFHSA-N 1 1 198.310 1.243 20 0 ADADMO CC[C@H](C)[N@@H+](C)CC(=O)NCC1CC1 591377301 346813418 /nfs/dbraw/zinc/81/34/18/346813418.db2.gz YHLNUKAIXWJXIS-VIFPVBQESA-N 1 1 198.310 1.243 20 0 ADADMO CC[C@H](C)[C@H](C)[N@@H+](CC(N)=O)C1CC1 591475637 346816588 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ADADMO CC(C)[C@@H]1CCC[C@@H]1N[C@@H]1CC[NH2+]C1 629409550 347343060 /nfs/dbraw/zinc/34/30/60/347343060.db2.gz UDNZSDZQVOHBDW-WOPDTQHZSA-N 1 1 196.338 1.763 20 0 ADADMO CCCC(CCC)N[C@@H]1CC[NH2+]C1 629407511 347343166 /nfs/dbraw/zinc/34/31/66/347343166.db2.gz BZIGALMYUAWCQT-LLVKDONJSA-N 1 1 184.327 1.907 20 0 ADADMO C[C@@H](CC1CCC1)N[C@@H]1CC[NH2+]C1 629408902 347343327 /nfs/dbraw/zinc/34/33/27/347343327.db2.gz AZCODIXSZCIDOV-GXSJLCMTSA-N 1 1 182.311 1.517 20 0 ADADMO C[C@@H]1CC[C@@H](N[C@@H]2CC[NH2+]C2)C[C@H]1C 629408381 347343339 /nfs/dbraw/zinc/34/33/39/347343339.db2.gz OIVCMDPJYMFWID-DDHJBXDOSA-N 1 1 196.338 1.763 20 0 ADADMO CC(C)[C@@H]1CCC[C@H]1N[C@@H]1CC[NH2+]C1 629409545 347343375 /nfs/dbraw/zinc/34/33/75/347343375.db2.gz UDNZSDZQVOHBDW-GRYCIOLGSA-N 1 1 196.338 1.763 20 0 ADADMO CC(C)[C@H]1CCC[C@@H]1N[C@@H]1CC[NH2+]C1 629409548 347343441 /nfs/dbraw/zinc/34/34/41/347343441.db2.gz UDNZSDZQVOHBDW-UTUOFQBUSA-N 1 1 196.338 1.763 20 0 ADADMO C[C@H](CC1CCC1)N[C@@H]1CC[NH2+]C1 629408903 347343523 /nfs/dbraw/zinc/34/35/23/347343523.db2.gz AZCODIXSZCIDOV-MWLCHTKSSA-N 1 1 182.311 1.517 20 0 ADADMO C[C@H]1[C@H](C)CCC[C@H]1N[C@@H]1CC[NH2+]C1 629409865 347344345 /nfs/dbraw/zinc/34/43/45/347344345.db2.gz UPZLLRKPULOMHB-WRWGMCAJSA-N 1 1 196.338 1.763 20 0 ADADMO CC1(C)CCC(C)(C)[N@@H+](CCN)C1 629543783 347347300 /nfs/dbraw/zinc/34/73/00/347347300.db2.gz BJHHCCNZCAHYEB-UHFFFAOYSA-N 1 1 184.327 1.846 20 0 ADADMO CC1(C)CCC(C)(C)N(CC[NH3+])C1 629543783 347347301 /nfs/dbraw/zinc/34/73/01/347347301.db2.gz BJHHCCNZCAHYEB-UHFFFAOYSA-N 1 1 184.327 1.846 20 0 ADADMO C[C@H]1CC(C)(C)C[C@@H]1N[C@@H]1CC[NH2+]C1 629553002 347348575 /nfs/dbraw/zinc/34/85/75/347348575.db2.gz DWRRSINAUNLYEV-AXFHLTTASA-N 1 1 196.338 1.763 20 0 ADADMO C[C@@H]1CCC[C@@H](C)C1N[C@@H]1CC[NH2+]C1 629553198 347348652 /nfs/dbraw/zinc/34/86/52/347348652.db2.gz ADKQBMLIUZXIEI-GMTAPVOTSA-N 1 1 196.338 1.763 20 0 ADADMO C[C@H]1CCC[C@H](C)C1N[C@@H]1CC[NH2+]C1 629553195 347348732 /nfs/dbraw/zinc/34/87/32/347348732.db2.gz 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LDKFMZSMZMDPKM-WRWGMCAJSA-N 1 1 196.338 1.763 20 0 ADADMO C[C@@H]1CC(C)(C)C[C@H]1N[C@@H]1CC[NH2+]C1 629553003 347349200 /nfs/dbraw/zinc/34/92/00/347349200.db2.gz DWRRSINAUNLYEV-GMTAPVOTSA-N 1 1 196.338 1.763 20 0 ADADMO C[C@@H]1CC[C@@H](C)[C@@H](N[C@@H]2CC[NH2+]C2)C1 629553069 347349238 /nfs/dbraw/zinc/34/92/38/347349238.db2.gz LDKFMZSMZMDPKM-KKOKHZNYSA-N 1 1 196.338 1.763 20 0 ADADMO CC[C@H](N[C@@H]1CC[NH2+]C1)[C@@H]1C[C@@H]1C 629553642 347349584 /nfs/dbraw/zinc/34/95/84/347349584.db2.gz BZXSCLKBILBAMV-ZDCRXTMVSA-N 1 1 182.311 1.373 20 0 ADADMO CC[C@H]1CCC[C@@H]1N[C@@H]1CC[NH2+]C1 629553553 347349678 /nfs/dbraw/zinc/34/96/78/347349678.db2.gz YVKVSFLSKAOSQU-AXFHLTTASA-N 1 1 182.311 1.517 20 0 ADADMO CC[C@H]1CCC[C@H]1N[C@@H]1CC[NH2+]C1 629553554 347349689 /nfs/dbraw/zinc/34/96/89/347349689.db2.gz YVKVSFLSKAOSQU-HBNTYKKESA-N 1 1 182.311 1.517 20 0 ADADMO CCC(C)(C)[C@@H](C)N[C@@H]1CC[NH2+]C1 629554683 347349722 /nfs/dbraw/zinc/34/97/22/347349722.db2.gz NDRGMNCBJCFULO-NXEZZACHSA-N 1 1 184.327 1.763 20 0 ADADMO CC[C@H](N[C@@H]1CC[NH2+]C1)[C@@H]1C[C@H]1C 629553640 347349960 /nfs/dbraw/zinc/34/99/60/347349960.db2.gz BZXSCLKBILBAMV-DBIOUOCHSA-N 1 1 182.311 1.373 20 0 ADADMO CCC(C)(C)[C@H](C)N[C@@H]1CC[NH2+]C1 629554684 347350009 /nfs/dbraw/zinc/35/00/09/347350009.db2.gz NDRGMNCBJCFULO-VHSXEESVSA-N 1 1 184.327 1.763 20 0 ADADMO CC[C@H](N[C@@H]1CC[NH2+]C1)[C@H]1C[C@@H]1C 629553641 347350045 /nfs/dbraw/zinc/35/00/45/347350045.db2.gz BZXSCLKBILBAMV-VLEAKVRGSA-N 1 1 182.311 1.373 20 0 ADADMO CC[C@H](N[C@@H]1CC[NH2+]C1)[C@H]1C[C@H]1C 629553643 347350066 /nfs/dbraw/zinc/35/00/66/347350066.db2.gz BZXSCLKBILBAMV-ZNSHCXBVSA-N 1 1 182.311 1.373 20 0 ADADMO CC[N@@H+](CCN)CCCC1CCC1 629558720 347350609 /nfs/dbraw/zinc/35/06/09/347350609.db2.gz MHAMIRNBBACVAZ-UHFFFAOYSA-N 1 1 184.327 1.847 20 0 ADADMO CCN(CC[NH3+])CCCC1CCC1 629558720 347350613 /nfs/dbraw/zinc/35/06/13/347350613.db2.gz MHAMIRNBBACVAZ-UHFFFAOYSA-N 1 1 184.327 1.847 20 0 ADADMO CC[N@@H+](CCN)CCC=C(C)C 629559462 347350888 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347604033 /nfs/dbraw/zinc/60/40/33/347604033.db2.gz YLEWVZKMVMDACD-VGMNWLOBSA-N 1 1 194.282 1.281 20 0 ADADMO C[C@@H]1C[N@H+](Cc2cn[nH]n2)[C@@H](C)[C@H]1C 642722016 347604036 /nfs/dbraw/zinc/60/40/36/347604036.db2.gz YLEWVZKMVMDACD-VGMNWLOBSA-N 1 1 194.282 1.281 20 0 ADADMO C[C@@H]1C[N@@H+](Cc2cn[nH]n2)[C@@H](C)[C@H]1C 642722016 347604038 /nfs/dbraw/zinc/60/40/38/347604038.db2.gz YLEWVZKMVMDACD-VGMNWLOBSA-N 1 1 194.282 1.281 20 0 ADADMO C[C@@H]1C[N@@H+](Cc2cnn[nH]2)[C@@H](C)[C@@H]1C 642722013 347604052 /nfs/dbraw/zinc/60/40/52/347604052.db2.gz YLEWVZKMVMDACD-HLTSFMKQSA-N 1 1 194.282 1.281 20 0 ADADMO C[C@@H]1C[N@H+](Cc2c[nH]nn2)[C@@H](C)[C@@H]1C 642722013 347604055 /nfs/dbraw/zinc/60/40/55/347604055.db2.gz YLEWVZKMVMDACD-HLTSFMKQSA-N 1 1 194.282 1.281 20 0 ADADMO C[C@@H]1C[N@@H+](Cc2c[nH]nn2)[C@@H](C)[C@@H]1C 642722013 347604057 /nfs/dbraw/zinc/60/40/57/347604057.db2.gz YLEWVZKMVMDACD-HLTSFMKQSA-N 1 1 194.282 1.281 20 0 ADADMO C[C@@H]1C[N@H+](Cc2cn[nH]n2)[C@@H](C)[C@@H]1C 642722013 347604058 /nfs/dbraw/zinc/60/40/58/347604058.db2.gz YLEWVZKMVMDACD-HLTSFMKQSA-N 1 1 194.282 1.281 20 0 ADADMO C[C@@H]1C[N@@H+](Cc2cn[nH]n2)[C@@H](C)[C@@H]1C 642722013 347604061 /nfs/dbraw/zinc/60/40/61/347604061.db2.gz YLEWVZKMVMDACD-HLTSFMKQSA-N 1 1 194.282 1.281 20 0 ADADMO C[C@@H]1C[N@@H+](C[C@@H]2CCOC2)[C@H](C)[C@@H]1C 642722245 347604143 /nfs/dbraw/zinc/60/41/43/347604143.db2.gz XQWQJZDGYOEIIK-KKOKHZNYSA-N 1 1 197.322 1.999 20 0 ADADMO C[C@@H]1C[N@@H+](Cc2cnn[nH]2)[C@H](C)[C@H]1C 642722014 347604172 /nfs/dbraw/zinc/60/41/72/347604172.db2.gz YLEWVZKMVMDACD-HRDYMLBCSA-N 1 1 194.282 1.281 20 0 ADADMO C[C@@H]1C[N@H+](Cc2c[nH]nn2)[C@H](C)[C@H]1C 642722014 347604175 /nfs/dbraw/zinc/60/41/75/347604175.db2.gz YLEWVZKMVMDACD-HRDYMLBCSA-N 1 1 194.282 1.281 20 0 ADADMO C[C@@H]1C[N@@H+](Cc2c[nH]nn2)[C@H](C)[C@H]1C 642722014 347604177 /nfs/dbraw/zinc/60/41/77/347604177.db2.gz YLEWVZKMVMDACD-HRDYMLBCSA-N 1 1 194.282 1.281 20 0 ADADMO C[C@@H]1C[N@H+](Cc2cn[nH]n2)[C@H](C)[C@H]1C 642722014 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335426007 352097555 /nfs/dbraw/zinc/09/75/55/352097555.db2.gz PATJMCYATHWDIW-SFYZADRCSA-N 1 1 198.291 1.410 20 0 ADADMO CC(C)=CC[N@H+]1CC[C@H](F)C1 335406118 352097578 /nfs/dbraw/zinc/09/75/78/352097578.db2.gz HZFZORDKXSDCFZ-VIFPVBQESA-N 1 1 157.232 1.996 20 0 ADADMO CC(C)=CC[N@H+]1CC[C@@H](F)C1 335406117 352097615 /nfs/dbraw/zinc/09/76/15/352097615.db2.gz HZFZORDKXSDCFZ-SECBINFHSA-N 1 1 157.232 1.996 20 0 ADADMO CC(C)C[N@H+]1CC[C@@H]2OCC[C@@H]2C1 335434196 352098218 /nfs/dbraw/zinc/09/82/18/352098218.db2.gz NLKNIXNFZUSUCT-MNOVXSKESA-N 1 1 183.295 1.753 20 0 ADADMO C[C@@H]1C[N@@H+](CCCO)CC2(CCC2)O1 335461096 352099035 /nfs/dbraw/zinc/09/90/35/352099035.db2.gz DSXTXKWDFCDNQE-SNVBAGLBSA-N 1 1 199.294 1.012 20 0 ADADMO C[C@H](O)C[N@H+]1C[C@@H](C)OC2(CCC2)C1 335465082 352099648 /nfs/dbraw/zinc/09/96/48/352099648.db2.gz SEKMYKZJBGHHCV-VHSXEESVSA-N 1 1 199.294 1.011 20 0 ADADMO C[C@H](O)C[N@H+]1C[C@H](C)OC2(CCC2)C1 335465081 352099740 /nfs/dbraw/zinc/09/97/40/352099740.db2.gz 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1 194.278 1.455 20 0 ADADMO CC[N@H+](Cc1ccno1)C[C@@H](C)OC 643420139 352951024 /nfs/dbraw/zinc/95/10/24/352951024.db2.gz QFGWLNAEDSFALZ-SECBINFHSA-N 1 1 198.266 1.531 20 0 ADADMO C[C@H](O)C[N@@H+](C)[C@@H](C)c1ccccn1 643410227 352951047 /nfs/dbraw/zinc/95/10/47/352951047.db2.gz MAIAPNQUYKLOGS-UWVGGRQHSA-N 1 1 194.278 1.455 20 0 ADADMO Cc1ccnc(C[N@H+](C)C[C@@H](C)O)c1 643412377 352951114 /nfs/dbraw/zinc/95/11/14/352951114.db2.gz LVKVQILDAGACHR-SNVBAGLBSA-N 1 1 194.278 1.203 20 0 ADADMO C[C@@H](c1ccccn1)[N@H+](C)C[C@@H](C)O 643412293 352951124 /nfs/dbraw/zinc/95/11/24/352951124.db2.gz MAIAPNQUYKLOGS-ZJUUUORDSA-N 1 1 194.278 1.455 20 0 ADADMO CC[N@@H+](Cc1ccon1)C[C@H](C)OC 643419770 352951176 /nfs/dbraw/zinc/95/11/76/352951176.db2.gz LJVFLIUEOZNPPO-VIFPVBQESA-N 1 1 198.266 1.531 20 0 ADADMO C[C@@H](O)C[N@@H+](C)[C@H](C)c1cccnc1 643412597 352951189 /nfs/dbraw/zinc/95/11/89/352951189.db2.gz QGIJBLWAJUMJHO-NXEZZACHSA-N 1 1 194.278 1.455 20 0 ADADMO Cc1cnc([C@@H](C)[N@@H+](C)C[C@@H](C)O)o1 643414250 352951230 /nfs/dbraw/zinc/95/12/30/352951230.db2.gz BPZGXAORQGTHNX-VXNVDRBHSA-N 1 1 198.266 1.357 20 0 ADADMO Cc1cnc([C@@H](C)[N@H+](C)C[C@@H](C)O)o1 643414250 352951233 /nfs/dbraw/zinc/95/12/33/352951233.db2.gz BPZGXAORQGTHNX-VXNVDRBHSA-N 1 1 198.266 1.357 20 0 ADADMO CC[N@@H+](Cc1ccon1)C[C@@H](C)OC 643419769 352951265 /nfs/dbraw/zinc/95/12/65/352951265.db2.gz LJVFLIUEOZNPPO-SECBINFHSA-N 1 1 198.266 1.531 20 0 ADADMO CC[N@H+](Cc1ccon1)C[C@@H](C)OC 643419769 352951268 /nfs/dbraw/zinc/95/12/68/352951268.db2.gz LJVFLIUEOZNPPO-SECBINFHSA-N 1 1 198.266 1.531 20 0 ADADMO CC[N@@H+](CCCOC)C[C@H](C)OC 643420372 352951276 /nfs/dbraw/zinc/95/12/76/352951276.db2.gz UHUJPWWALXHMTH-JTQLQIEISA-N 1 1 189.299 1.380 20 0 ADADMO Cc1cnc([C@H](C)[N@@H+](C)C[C@@H](C)O)o1 643414249 352951293 /nfs/dbraw/zinc/95/12/93/352951293.db2.gz BPZGXAORQGTHNX-APPZFPTMSA-N 1 1 198.266 1.357 20 0 ADADMO Cc1cnc([C@H](C)[N@H+](C)C[C@@H](C)O)o1 643414249 352951297 /nfs/dbraw/zinc/95/12/97/352951297.db2.gz BPZGXAORQGTHNX-APPZFPTMSA-N 1 1 198.266 1.357 20 0 ADADMO CC[N@H+](Cc1ccno1)C[C@H](C)OC 643420140 352951393 /nfs/dbraw/zinc/95/13/93/352951393.db2.gz QFGWLNAEDSFALZ-VIFPVBQESA-N 1 1 198.266 1.531 20 0 ADADMO C[C@@H]1CCC[C@@H](C)C1N[C@H]1CC[NH2+]C1 643451763 352951739 /nfs/dbraw/zinc/95/17/39/352951739.db2.gz ADKQBMLIUZXIEI-MXWKQRLJSA-N 1 1 196.338 1.763 20 0 ADADMO C[C@@H]1C[C@@H]1C[NH2+][C@@H]1CCC[C@H]1N 643451643 352951748 /nfs/dbraw/zinc/95/17/48/352951748.db2.gz CHRGLITWQMDLCA-ZYUZMQFOSA-N 1 1 168.284 1.112 20 0 ADADMO C[C@H](NC[C@@H]1C[C@H]1C)[C@H]1CCC[NH2+]1 643451751 352951752 /nfs/dbraw/zinc/95/17/52/352951752.db2.gz XJLCDFHHRZQBLJ-VPOLOUISSA-N 1 1 182.311 1.373 20 0 ADADMO C[C@@H]1C[C@@H]1C[NH2+][C@H]1CCC[C@H]1N 643451642 352951756 /nfs/dbraw/zinc/95/17/56/352951756.db2.gz CHRGLITWQMDLCA-KYXWUPHJSA-N 1 1 168.284 1.112 20 0 ADADMO C[C@@H]1C[C@@H]1C[NH2+][C@@H]1CCCCC[C@H]1N 643451753 352951790 /nfs/dbraw/zinc/95/17/90/352951790.db2.gz YXFSITHMAHHDEQ-DDHJBXDOSA-N 1 1 196.338 1.892 20 0 ADADMO C[C@@H]1C[C@@H]1C[NH2+][C@H]1CCCCC[C@@H]1N 643451756 352951793 /nfs/dbraw/zinc/95/17/93/352951793.db2.gz YXFSITHMAHHDEQ-WYUUTHIRSA-N 1 1 196.338 1.892 20 0 ADADMO C[C@@H]1C[C@H]1CN[C@H](C)[C@H]1CCC[NH2+]1 643451749 352951825 /nfs/dbraw/zinc/95/18/25/352951825.db2.gz XJLCDFHHRZQBLJ-CHWFTXMASA-N 1 1 182.311 1.373 20 0 ADADMO C[C@H]1CCC[C@@H](C)[C@@H]1N[C@H]1CC[NH2+]C1 643451764 352951841 /nfs/dbraw/zinc/95/18/41/352951841.db2.gz ADKQBMLIUZXIEI-WHOHXGKFSA-N 1 1 196.338 1.763 20 0 ADADMO C[C@@H]1C[C@@H]1C[NH2+][C@H]1CCC[C@@H]1N 643451641 352951847 /nfs/dbraw/zinc/95/18/47/352951847.db2.gz CHRGLITWQMDLCA-IMSYWVGJSA-N 1 1 168.284 1.112 20 0 ADADMO C[C@@H](NC[C@@H]1C[C@H]1C)[C@@H]1CCC[NH2+]1 643451752 352951911 /nfs/dbraw/zinc/95/19/11/352951911.db2.gz XJLCDFHHRZQBLJ-ZNSHCXBVSA-N 1 1 182.311 1.373 20 0 ADADMO C[C@@H]([NH2+]C[C@@H]1C[C@H]1C)[C@@H]1CCCCN1 643451659 352951959 /nfs/dbraw/zinc/95/19/59/352951959.db2.gz FTLGSNLWDBOXRT-WYUUTHIRSA-N 1 1 196.338 1.763 20 0 ADADMO C[C@H]([NH2+]C[C@@H]1C[C@H]1C)[C@H]1CCCCN1 643451656 352951981 /nfs/dbraw/zinc/95/19/81/352951981.db2.gz FTLGSNLWDBOXRT-NOOOWODRSA-N 1 1 196.338 1.763 20 0 ADADMO C[C@H](NC[C@@H]1C[C@H]1C)[C@@H]1CCC[NH2+]1 643451750 352952017 /nfs/dbraw/zinc/95/20/17/352952017.db2.gz XJLCDFHHRZQBLJ-RCWTZXSCSA-N 1 1 182.311 1.373 20 0 ADADMO C[C@@H]1C[C@@H]1C[NH2+][C@@H]1CCC[C@@H]1N 643451640 352952028 /nfs/dbraw/zinc/95/20/28/352952028.db2.gz CHRGLITWQMDLCA-DOLQZWNJSA-N 1 1 168.284 1.112 20 0 ADADMO C[C@@H]1C[C@H]1C[NH2+][C@H](C)[C@H]1CCCCN1 643451658 352952034 /nfs/dbraw/zinc/95/20/34/352952034.db2.gz FTLGSNLWDBOXRT-WISYIIOYSA-N 1 1 196.338 1.763 20 0 ADADMO C[C@@H]1C[C@@H]1C[NH2+][C@H]1CCCCC[C@H]1N 643451754 352952051 /nfs/dbraw/zinc/95/20/51/352952051.db2.gz YXFSITHMAHHDEQ-KKOKHZNYSA-N 1 1 196.338 1.892 20 0 ADADMO C[C@@H]1C[C@@H]1C[NH2+][C@@H]1CCCCC[C@@H]1N 643451755 352952072 /nfs/dbraw/zinc/95/20/72/352952072.db2.gz YXFSITHMAHHDEQ-WISYIIOYSA-N 1 1 196.338 1.892 20 0 ADADMO CCCN[C@H](CC)[C@@H]1CCC[NH2+]1 643454149 352952548 /nfs/dbraw/zinc/95/25/48/352952548.db2.gz JAJMWDVNCXQRFE-ZJUUUORDSA-N 1 1 170.300 1.517 20 0 ADADMO CCC[C@@H](C)N[C@@H](C)[C@@H]1CCC[NH2+]1 643454088 352952566 /nfs/dbraw/zinc/95/25/66/352952566.db2.gz UBJSQXCCNGARTN-VWYCJHECSA-N 1 1 184.327 1.905 20 0 ADADMO CCC[C@@H](C)N[C@@H](C)[C@H]1CCC[NH2+]1 643454087 352952666 /nfs/dbraw/zinc/95/26/66/352952666.db2.gz UBJSQXCCNGARTN-OUAUKWLOSA-N 1 1 184.327 1.905 20 0 ADADMO CCCN[C@@H](CC)[C@@H]1CCC[NH2+]1 643454148 352952737 /nfs/dbraw/zinc/95/27/37/352952737.db2.gz JAJMWDVNCXQRFE-UWVGGRQHSA-N 1 1 170.300 1.517 20 0 ADADMO CCC[C@@H](C)N[C@H](C)[C@H]1CCC[NH2+]1 643454085 352952916 /nfs/dbraw/zinc/95/29/16/352952916.db2.gz UBJSQXCCNGARTN-GMTAPVOTSA-N 1 1 184.327 1.905 20 0 ADADMO CCC[C@@H](C)N[C@H](C)[C@@H]1CCC[NH2+]1 643454086 352952967 /nfs/dbraw/zinc/95/29/67/352952967.db2.gz UBJSQXCCNGARTN-MXWKQRLJSA-N 1 1 184.327 1.905 20 0 ADADMO CCCCN[C@@H](CC)[C@@H]1CCC[NH2+]1 643454207 352953287 /nfs/dbraw/zinc/95/32/87/352953287.db2.gz CUTXHFHJIZLFSU-QWRGUYRKSA-N 1 1 184.327 1.907 20 0 ADADMO CCCCN[C@H](CC)[C@@H]1CCC[NH2+]1 643454206 352953677 /nfs/dbraw/zinc/95/36/77/352953677.db2.gz CUTXHFHJIZLFSU-MNOVXSKESA-N 1 1 184.327 1.907 20 0 ADADMO C[C@@H](NCc1ccccc1)C1C[NH2+]C1 643455646 352954259 /nfs/dbraw/zinc/95/42/59/352954259.db2.gz UBVSCNOOIRKSJM-SNVBAGLBSA-N 1 1 190.290 1.384 20 0 ADADMO C[C@H](NCc1cccs1)C1C[NH2+]C1 643456539 352954349 /nfs/dbraw/zinc/95/43/49/352954349.db2.gz CTJQBGYRAJNQPG-QMMMGPOBSA-N 1 1 196.319 1.446 20 0 ADADMO C[C@@H](NCc1cccs1)C1C[NH2+]C1 643456538 352954564 /nfs/dbraw/zinc/95/45/64/352954564.db2.gz CTJQBGYRAJNQPG-MRVPVSSYSA-N 1 1 196.319 1.446 20 0 ADADMO C[C@H](NCc1ccccc1)C1C[NH2+]C1 643455645 352954691 /nfs/dbraw/zinc/95/46/91/352954691.db2.gz UBVSCNOOIRKSJM-JTQLQIEISA-N 1 1 190.290 1.384 20 0 ADADMO CC[C@@H](C)N[C@H](C)[C@@H]1CCC[NH2+]1 643455651 352954697 /nfs/dbraw/zinc/95/46/97/352954697.db2.gz VBWIURHXYDFAIE-BBBLOLIVSA-N 1 1 170.300 1.515 20 0 ADADMO CC[C@@H](C)N[C@@H](C)[C@@H]1CCC[NH2+]1 643455654 352954815 /nfs/dbraw/zinc/95/48/15/352954815.db2.gz VBWIURHXYDFAIE-UTLUCORTSA-N 1 1 170.300 1.515 20 0 ADADMO CC[C@@H](C)N[C@@H](C)[C@H]1CCC[NH2+]1 643455652 352954857 /nfs/dbraw/zinc/95/48/57/352954857.db2.gz VBWIURHXYDFAIE-KXUCPTDWSA-N 1 1 170.300 1.515 20 0 ADADMO CC[C@@H](C)N[C@H](C)[C@H]1CCC[NH2+]1 643455653 352954924 /nfs/dbraw/zinc/95/49/24/352954924.db2.gz VBWIURHXYDFAIE-OPRDCNLKSA-N 1 1 170.300 1.515 20 0 ADADMO C[C@@H](C[C@@H](C)[NH3+])NCc1ccsc1 643461467 352955098 /nfs/dbraw/zinc/95/50/98/352955098.db2.gz BZAYIJXKPXNQPC-BDAKNGLRSA-N 1 1 198.335 1.964 20 0 ADADMO C[C@H]([NH3+])C[C@H](C)NCc1ccsc1 643461469 352955139 /nfs/dbraw/zinc/95/51/39/352955139.db2.gz BZAYIJXKPXNQPC-IUCAKERBSA-N 1 1 198.335 1.964 20 0 ADADMO CCC(CC)C[NH2+][C@@H]1CCC[C@H]1N 643461794 352955172 /nfs/dbraw/zinc/95/51/72/352955172.db2.gz WXMAADFLVOWXHW-GHMZBOCLSA-N 1 1 184.327 1.892 20 0 ADADMO C[C@@H]([NH3+])C[C@@H](C)NCc1ccsc1 643461470 352955430 /nfs/dbraw/zinc/95/54/30/352955430.db2.gz BZAYIJXKPXNQPC-RKDXNWHRSA-N 1 1 198.335 1.964 20 0 ADADMO CCC(CC)C[NH2+][C@H]1CCC[C@H]1N 643461795 352955437 /nfs/dbraw/zinc/95/54/37/352955437.db2.gz WXMAADFLVOWXHW-MNOVXSKESA-N 1 1 184.327 1.892 20 0 ADADMO CCC(CC)C[NH2+][C@@H]1CCC[C@@H]1N 643461797 352955552 /nfs/dbraw/zinc/95/55/52/352955552.db2.gz WXMAADFLVOWXHW-WDEREUQCSA-N 1 1 184.327 1.892 20 0 ADADMO CC[C@H](NCC1CC1)[C@@H]1CCC[NH2+]1 643459485 352955611 /nfs/dbraw/zinc/95/56/11/352955611.db2.gz FDHVSUVSJQXVAJ-QWRGUYRKSA-N 1 1 182.311 1.517 20 0 ADADMO CC[C@@H](NCC1CC1)[C@@H]1CCC[NH2+]1 643459484 352955654 /nfs/dbraw/zinc/95/56/54/352955654.db2.gz FDHVSUVSJQXVAJ-MNOVXSKESA-N 1 1 182.311 1.517 20 0 ADADMO CCC(CC)C[NH2+][C@H]1CCC[C@@H]1N 643461796 352955720 /nfs/dbraw/zinc/95/57/20/352955720.db2.gz WXMAADFLVOWXHW-QWRGUYRKSA-N 1 1 184.327 1.892 20 0 ADADMO C[C@H]([NH3+])C[C@@H](C)NCc1ccsc1 643461468 352955814 /nfs/dbraw/zinc/95/58/14/352955814.db2.gz BZAYIJXKPXNQPC-DTWKUNHWSA-N 1 1 198.335 1.964 20 0 ADADMO CC[C@@H](NCCC1CC1)[C@@H]1CCC[NH2+]1 643465694 352956207 /nfs/dbraw/zinc/95/62/07/352956207.db2.gz FMWXHACMGFWGGT-NEPJUHHUSA-N 1 1 196.338 1.907 20 0 ADADMO CC[C@H](NCCC1CC1)[C@@H]1CCC[NH2+]1 643465695 352956239 /nfs/dbraw/zinc/95/62/39/352956239.db2.gz FMWXHACMGFWGGT-RYUDHWBXSA-N 1 1 196.338 1.907 20 0 ADADMO N[C@H]1CCC[C@H]1[NH2+]CCCC1CC1 643464904 352956275 /nfs/dbraw/zinc/95/62/75/352956275.db2.gz WYJZMHAHNYAXNS-WDEREUQCSA-N 1 1 182.311 1.646 20 0 ADADMO N[C@@H]1CCC[C@H]1[NH2+]CCCC1CC1 643464901 352956524 /nfs/dbraw/zinc/95/65/24/352956524.db2.gz WYJZMHAHNYAXNS-GHMZBOCLSA-N 1 1 182.311 1.646 20 0 ADADMO N[C@@H]1CCC[C@@H]1[NH2+]CCCC1CC1 643464902 352956634 /nfs/dbraw/zinc/95/66/34/352956634.db2.gz WYJZMHAHNYAXNS-MNOVXSKESA-N 1 1 182.311 1.646 20 0 ADADMO N[C@H]1CCC[C@@H]1[NH2+]CCCC1CC1 643464903 352956728 /nfs/dbraw/zinc/95/67/28/352956728.db2.gz WYJZMHAHNYAXNS-QWRGUYRKSA-N 1 1 182.311 1.646 20 0 ADADMO C[C@@H](N[C@H](C)[C@@H]1CCC[NH2+]1)C1CC1 643467200 352956928 /nfs/dbraw/zinc/95/69/28/352956928.db2.gz LHOALLOHSSQAAE-KKZNHRDASA-N 1 1 182.311 1.515 20 0 ADADMO CC(C)C1(C[NH2+][C@H]2CCC[C@@H]2N)CC1 643466306 352956964 /nfs/dbraw/zinc/95/69/64/352956964.db2.gz YGORGZJPGBXNRG-QWRGUYRKSA-N 1 1 196.338 1.892 20 0 ADADMO N[C@H]1CCC[C@@H]1[NH2+]CCC1CC1 643465768 352957095 /nfs/dbraw/zinc/95/70/95/352957095.db2.gz UUULYQHNTVUMQY-UWVGGRQHSA-N 1 1 168.284 1.256 20 0 ADADMO C[C@H](N[C@H](C)C1CC1)[C@H]1CCC[NH2+]1 643467201 352957179 /nfs/dbraw/zinc/95/71/79/352957179.db2.gz LHOALLOHSSQAAE-WCABBAIRSA-N 1 1 182.311 1.515 20 0 ADADMO CC[C@H](NCC1(C)CC1)[C@@H]1CCC[NH2+]1 643465913 352957192 /nfs/dbraw/zinc/95/71/92/352957192.db2.gz YLZIBFOGOUVYLW-QWRGUYRKSA-N 1 1 196.338 1.907 20 0 ADADMO CC(C)C1(C[NH2+][C@@H]2CCC[C@@H]2N)CC1 643466307 352957209 /nfs/dbraw/zinc/95/72/09/352957209.db2.gz YGORGZJPGBXNRG-WDEREUQCSA-N 1 1 196.338 1.892 20 0 ADADMO N[C@@H]1CCC[C@@H]1[NH2+]CCC1CC1 643465770 352957268 /nfs/dbraw/zinc/95/72/68/352957268.db2.gz UUULYQHNTVUMQY-ZJUUUORDSA-N 1 1 168.284 1.256 20 0 ADADMO CC[C@@H](NCC1(C)CC1)[C@@H]1CCC[NH2+]1 643465912 352957280 /nfs/dbraw/zinc/95/72/80/352957280.db2.gz YLZIBFOGOUVYLW-MNOVXSKESA-N 1 1 196.338 1.907 20 0 ADADMO C[C@@H]([NH2+][C@H](C)[C@@H]1CCCCN1)C1CC1 643467270 352957292 /nfs/dbraw/zinc/95/72/92/352957292.db2.gz UTEXDKWVXXTZJR-FOGDFJRCSA-N 1 1 196.338 1.905 20 0 ADADMO C[C@@H]([NH2+][C@H](C)[C@H]1CCCCN1)C1CC1 643467269 352957425 /nfs/dbraw/zinc/95/74/25/352957425.db2.gz UTEXDKWVXXTZJR-CKYFFXLPSA-N 1 1 196.338 1.905 20 0 ADADMO CC(C)C1(C[NH2+][C@@H]2CCC[C@H]2N)CC1 643466304 352957439 /nfs/dbraw/zinc/95/74/39/352957439.db2.gz YGORGZJPGBXNRG-GHMZBOCLSA-N 1 1 196.338 1.892 20 0 ADADMO C[C@H](N[C@H](C)C1CC1)[C@@H]1CCC[NH2+]1 643467202 352957486 /nfs/dbraw/zinc/95/74/86/352957486.db2.gz LHOALLOHSSQAAE-YWVKMMECSA-N 1 1 182.311 1.515 20 0 ADADMO C[C@H]([NH2+][C@H](C)C1CC1)[C@@H]1CCCCN1 643467272 352957497 /nfs/dbraw/zinc/95/74/97/352957497.db2.gz UTEXDKWVXXTZJR-SCVCMEIPSA-N 1 1 196.338 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20 0 ADADMO C[C@H](O)CC[N@H+]1CCCC(C)(C)C1 69793721 375316829 /nfs/dbraw/zinc/31/68/29/375316829.db2.gz BCRQWDZEQNVWNP-JTQLQIEISA-N 1 1 185.311 1.879 20 0 ADADMO CC(C)(O)C[N@H+]1CCCC(C)(C)C1 69793650 375316861 /nfs/dbraw/zinc/31/68/61/375316861.db2.gz SWYGDWZATPPZFJ-UHFFFAOYSA-N 1 1 185.311 1.879 20 0 ADADMO CC[C@H](O)C[N@H+]1CCCC(C)(C)C1 69793624 375316897 /nfs/dbraw/zinc/31/68/97/375316897.db2.gz CGKUJZAEHSLGDJ-JTQLQIEISA-N 1 1 185.311 1.879 20 0 ADADMO CC[C@@H](O)C[N@H+]1CCCC(C)(C)C1 69793626 375316920 /nfs/dbraw/zinc/31/69/20/375316920.db2.gz CGKUJZAEHSLGDJ-SNVBAGLBSA-N 1 1 185.311 1.879 20 0 ADADMO CC(C)(N)C[N@@H+]1CCCC(C)(C)C1 69794571 375317021 /nfs/dbraw/zinc/31/70/21/375317021.db2.gz YIJQYXQECJVJDO-UHFFFAOYSA-N 1 1 184.327 1.846 20 0 ADADMO CC(C)(N)C[N@H+]1CCCC(C)(C)C1 69794571 375317024 /nfs/dbraw/zinc/31/70/24/375317024.db2.gz YIJQYXQECJVJDO-UHFFFAOYSA-N 1 1 184.327 1.846 20 0 ADADMO C[C@@H](O)C[N@H+]1CCCCC[C@H]1C 69945401 375317625 /nfs/dbraw/zinc/31/76/25/375317625.db2.gz 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CC[NH2+][C@@H](C)c1nc(C)no1 70131096 375321164 /nfs/dbraw/zinc/32/11/64/375321164.db2.gz OECQUHNMCOEXEH-YFKPBYRVSA-N 1 1 155.201 1.049 20 0 ADADMO C[C@@H]1CCC[N@@H+](CCCO)CC1 70158154 375321169 /nfs/dbraw/zinc/32/11/69/375321169.db2.gz FOZFFTSGTZVALJ-SNVBAGLBSA-N 1 1 171.284 1.491 20 0 ADADMO Cc1[nH+]ccn1C[C@H]1CCCO1 70162651 375321198 /nfs/dbraw/zinc/32/11/98/375321198.db2.gz KIQXGKLBNQZCCI-SECBINFHSA-N 1 1 166.224 1.371 20 0 ADADMO Cc1[nH+]ccn1CC(=O)NC(C)(C)C 70162636 375321211 /nfs/dbraw/zinc/32/12/11/375321211.db2.gz LDWGBWMRZKMDQD-UHFFFAOYSA-N 1 1 195.266 1.106 20 0 ADADMO COC(=O)C[N@H+]1CCC[C@H](C)CC1 70158279 375321235 /nfs/dbraw/zinc/32/12/35/375321235.db2.gz KHZKCKSFRPYBLH-VIFPVBQESA-N 1 1 185.267 1.281 20 0 ADADMO Cc1[nH+]ccn1C[C@H]1CCCCO1 70162640 375321254 /nfs/dbraw/zinc/32/12/54/375321254.db2.gz GSLPEEIYAFJZCU-SNVBAGLBSA-N 1 1 180.251 1.761 20 0 ADADMO Cc1[nH+]ccn1C[C@@H]1CCCO1 70162650 375321269 /nfs/dbraw/zinc/32/12/69/375321269.db2.gz KIQXGKLBNQZCCI-VIFPVBQESA-N 1 1 166.224 1.371 20 0 ADADMO O[C@H]1CCC[N@@H+](CCC(F)(F)F)C1 70205449 375321811 /nfs/dbraw/zinc/32/18/11/375321811.db2.gz AAVAAPGCCCCEDJ-ZETCQYMHSA-N 1 1 197.200 1.396 20 0 ADADMO Cc1[nH+]ccn1Cc1cccnc1 70162699 375321835 /nfs/dbraw/zinc/32/18/35/375321835.db2.gz JHOINSDNUVZDNA-UHFFFAOYSA-N 1 1 173.219 1.635 20 0 ADADMO Cc1[nH+]ccn1CCn1cccn1 70162802 375322059 /nfs/dbraw/zinc/32/20/59/375322059.db2.gz KWNJQOUCSCASEX-UHFFFAOYSA-N 1 1 176.223 1.088 20 0 ADADMO Cc1cc(Cn2cc[nH+]c2C)on1 70162751 375322705 /nfs/dbraw/zinc/32/27/05/375322705.db2.gz PEGAXOGTQWWOEH-UHFFFAOYSA-N 1 1 177.207 1.536 20 0 ADADMO Cc1nc(Cn2cc[nH+]c2C)oc1C 70162798 375322780 /nfs/dbraw/zinc/32/27/80/375322780.db2.gz XSZWBFUVSFPMPG-UHFFFAOYSA-N 1 1 191.234 1.845 20 0 ADADMO CC(C)CCC(=O)N1CC[NH+](C)CC1 70218579 375323354 /nfs/dbraw/zinc/32/33/54/375323354.db2.gz WJERPRFARBYUPG-UHFFFAOYSA-N 1 1 198.310 1.197 20 0 ADADMO O[C@@H]1CCC[N@@H+](CCC(F)(F)F)C1 70205451 375323837 /nfs/dbraw/zinc/32/38/37/375323837.db2.gz 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375334449 /nfs/dbraw/zinc/33/44/49/375334449.db2.gz DLCSHQLGHUFCJX-UHFFFAOYSA-N 1 1 184.327 1.846 20 0 ADADMO CN(CC[NH3+])C1CCC(C)(C)CC1 70623267 375334454 /nfs/dbraw/zinc/33/44/54/375334454.db2.gz DLCSHQLGHUFCJX-UHFFFAOYSA-N 1 1 184.327 1.846 20 0 ADADMO CC[C@H]1CCC[N@@H+](CCN)CC1 70612896 375334944 /nfs/dbraw/zinc/33/49/44/375334944.db2.gz PMCBONDBPZHLCC-JTQLQIEISA-N 1 1 170.300 1.457 20 0 ADADMO CC[C@H]1CCCN(CC[NH3+])CC1 70612896 375334948 /nfs/dbraw/zinc/33/49/48/375334948.db2.gz PMCBONDBPZHLCC-JTQLQIEISA-N 1 1 170.300 1.457 20 0 ADADMO [NH3+][C@H]1CCCN(CCC2CCCC2)C1 70585198 375335036 /nfs/dbraw/zinc/33/50/36/375335036.db2.gz YZUNRCUBDBGULB-LBPRGKRZSA-N 1 1 196.338 1.990 20 0 ADADMO CC[C@@H]1CCC[N@@H+](CCN)CC1 70612895 375335252 /nfs/dbraw/zinc/33/52/52/375335252.db2.gz PMCBONDBPZHLCC-SNVBAGLBSA-N 1 1 170.300 1.457 20 0 ADADMO CC[C@@H]1CCCN(CC[NH3+])CC1 70612895 375335256 /nfs/dbraw/zinc/33/52/56/375335256.db2.gz PMCBONDBPZHLCC-SNVBAGLBSA-N 1 1 170.300 1.457 20 0 ADADMO 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XCHGTOMMAUILKH-RKDXNWHRSA-N 1 1 158.289 1.310 20 0 ADADMO CC(C)[C@@H](C)N(C)C[C@@H](C)[NH3+] 37409423 409329570 /nfs/dbraw/zinc/32/95/70/409329570.db2.gz XCHGTOMMAUILKH-RKDXNWHRSA-N 1 1 158.289 1.310 20 0 ADADMO CC(C)C[NH2+]C[C@@H]1CCN(C2CC2)C1 37408314 409329704 /nfs/dbraw/zinc/32/97/04/409329704.db2.gz WAZDOMTYEYFSPX-NSHDSACASA-N 1 1 196.338 1.716 20 0 ADADMO CC(C)[C@H](C)[N@@H+](C)C[C@@H](C)N 37409424 409329764 /nfs/dbraw/zinc/32/97/64/409329764.db2.gz XCHGTOMMAUILKH-BDAKNGLRSA-N 1 1 158.289 1.310 20 0 ADADMO CC(C)[C@H](C)N(C)C[C@@H](C)[NH3+] 37409424 409329766 /nfs/dbraw/zinc/32/97/66/409329766.db2.gz XCHGTOMMAUILKH-BDAKNGLRSA-N 1 1 158.289 1.310 20 0 ADADMO Cc1cc[nH+]c(N[C@@H](CO)CCF)c1 651462746 409329822 /nfs/dbraw/zinc/32/98/22/409329822.db2.gz AECSJNPRDOKYSE-SECBINFHSA-N 1 1 198.241 1.522 20 0 ADADMO Cc1cccc(N[C@@H](CO)CCF)[nH+]1 651462815 409329864 /nfs/dbraw/zinc/32/98/64/409329864.db2.gz BYDJIPNZTPGKAT-SECBINFHSA-N 1 1 198.241 1.522 20 0 ADADMO Cc1cc[nH+]c(N(C)[C@H](C)CCO)c1 651471324 409330427 /nfs/dbraw/zinc/33/04/27/409330427.db2.gz QBWDSIIJOHQZBY-SNVBAGLBSA-N 1 1 194.278 1.597 20 0 ADADMO Cc1cc[nH+]c(N[C@H](CO)CCF)c1 651462747 409330489 /nfs/dbraw/zinc/33/04/89/409330489.db2.gz AECSJNPRDOKYSE-VIFPVBQESA-N 1 1 198.241 1.522 20 0 ADADMO Cc1cccc(N(C)[C@@H](C)CCO)[nH+]1 651470981 409330696 /nfs/dbraw/zinc/33/06/96/409330696.db2.gz GGCOONLECQSBKN-JTQLQIEISA-N 1 1 194.278 1.597 20 0 ADADMO Cc1cccc(N[C@H](CO)CCF)[nH+]1 651462816 409330838 /nfs/dbraw/zinc/33/08/38/409330838.db2.gz BYDJIPNZTPGKAT-VIFPVBQESA-N 1 1 198.241 1.522 20 0 ADADMO Cc1cccc(N(C)[C@H](C)CCO)[nH+]1 651470982 409331039 /nfs/dbraw/zinc/33/10/39/409331039.db2.gz GGCOONLECQSBKN-SNVBAGLBSA-N 1 1 194.278 1.597 20 0 ADADMO Cc1cc[nH+]c(N(C)[C@@H](C)CCO)c1 651471323 409331055 /nfs/dbraw/zinc/33/10/55/409331055.db2.gz QBWDSIIJOHQZBY-JTQLQIEISA-N 1 1 194.278 1.597 20 0 ADADMO CC[C@H](C)C[N@@H+](C)C[C@@H](C)O 37693460 409333640 /nfs/dbraw/zinc/33/36/40/409333640.db2.gz JLWIHSWWDQZLCT-DTWKUNHWSA-N 1 1 159.273 1.345 20 0 ADADMO CC[C@H](CO)Nc1cc(C)[nH+]c(C)n1 37498412 409331842 /nfs/dbraw/zinc/33/18/42/409331842.db2.gz DPNFSAJSJPYEHH-SECBINFHSA-N 1 1 195.266 1.276 20 0 ADADMO CC[C@H]([NH2+]CCN)c1cccs1 37712665 409333175 /nfs/dbraw/zinc/33/31/75/409333175.db2.gz IOPPCWUGCYFVAA-QMMMGPOBSA-N 1 1 184.308 1.748 20 0 ADADMO Cc1ccc([C@@H](C)[NH2+]CCN)s1 37712588 409333195 /nfs/dbraw/zinc/33/31/95/409333195.db2.gz QVRMOJDQBSSLFE-MRVPVSSYSA-N 1 1 184.308 1.666 20 0 ADADMO CC[C@H](O)C[N@@H+](C)Cc1ccccn1 37694036 409333220 /nfs/dbraw/zinc/33/32/20/409333220.db2.gz CQRWKVPQLRNJOB-NSHDSACASA-N 1 1 194.278 1.284 20 0 ADADMO CC[C@@H]([NH2+]CCN)c1cccs1 37712666 409333284 /nfs/dbraw/zinc/33/32/84/409333284.db2.gz IOPPCWUGCYFVAA-MRVPVSSYSA-N 1 1 184.308 1.748 20 0 ADADMO C[C@@H](O)C[N@@H+](C)Cc1cccs1 37693974 409333305 /nfs/dbraw/zinc/33/33/05/409333305.db2.gz FADVYLGKGMBJEU-MRVPVSSYSA-N 1 1 185.292 1.561 20 0 ADADMO CCc1ccc([C@@H](C)[NH2+]CCN)cc1 37712578 409333433 /nfs/dbraw/zinc/33/34/33/409333433.db2.gz WIFKGWXBWBTYDY-SNVBAGLBSA-N 1 1 192.306 1.858 20 0 ADADMO Cc1ccc([C@H](C)[NH2+]CCN)s1 37712589 409333533 /nfs/dbraw/zinc/33/35/33/409333533.db2.gz QVRMOJDQBSSLFE-QMMMGPOBSA-N 1 1 184.308 1.666 20 0 ADADMO CCc1ccc([C@H](C)[NH2+]CCN)cc1 37712579 409333550 /nfs/dbraw/zinc/33/35/50/409333550.db2.gz WIFKGWXBWBTYDY-JTQLQIEISA-N 1 1 192.306 1.858 20 0 ADADMO C[C@H](O)C[N@@H+](C)Cc1ccco1 37693968 409333656 /nfs/dbraw/zinc/33/36/56/409333656.db2.gz ZPLIZIVAYFELSZ-QMMMGPOBSA-N 1 1 169.224 1.092 20 0 ADADMO CC[C@H]([NH2+]CCN)c1ccc(F)cc1 37712427 409333708 /nfs/dbraw/zinc/33/37/08/409333708.db2.gz KSTQBJOWRCOGLX-NSHDSACASA-N 1 1 196.269 1.825 20 0 ADADMO CC[C@@H](C)[N@@H+](C)C[C@@H](C)O 37693900 409333726 /nfs/dbraw/zinc/33/37/26/409333726.db2.gz LMAUQDLJRYJRIE-HTQZYQBOSA-N 1 1 145.246 1.098 20 0 ADADMO C[C@@H](O)C[N@@H+](C)Cc1ccsc1 37693979 409333769 /nfs/dbraw/zinc/33/37/69/409333769.db2.gz VGCOKBHQYDVUQR-MRVPVSSYSA-N 1 1 185.292 1.561 20 0 ADADMO Cc1cccc([C@H](C)[NH2+]CCN)c1 37712943 409334331 /nfs/dbraw/zinc/33/43/31/409334331.db2.gz KRFZISBVBLUCDE-JTQLQIEISA-N 1 1 178.279 1.604 20 0 ADADMO Cc1ccc([C@@H](C)[NH2+]CCN)cc1C 37712572 409333781 /nfs/dbraw/zinc/33/37/81/409333781.db2.gz FYUNIIIXPIHNGP-LLVKDONJSA-N 1 1 192.306 1.913 20 0 ADADMO Cc1cc([C@@H](C)[NH2+]CCN)c(C)s1 37712686 409333859 /nfs/dbraw/zinc/33/38/59/409333859.db2.gz YJABZXSGYZUEOI-MRVPVSSYSA-N 1 1 198.335 1.974 20 0 ADADMO C[C@H](O)C[N@@H+](C)Cc1cccs1 37693973 409333911 /nfs/dbraw/zinc/33/39/11/409333911.db2.gz FADVYLGKGMBJEU-QMMMGPOBSA-N 1 1 185.292 1.561 20 0 ADADMO Cc1ccc([C@@H](C)[NH2+]CCN)c(C)c1 37712473 409333937 /nfs/dbraw/zinc/33/39/37/409333937.db2.gz ZSEJZFUGNCFYNK-LLVKDONJSA-N 1 1 192.306 1.913 20 0 ADADMO CC[C@H]([NH2+]CCN)c1ccc(C)cc1 37712498 409334028 /nfs/dbraw/zinc/33/40/28/409334028.db2.gz HSIBVWYVQCSUEP-LBPRGKRZSA-N 1 1 192.306 1.994 20 0 ADADMO Cc1cc([C@H](C)[NH2+]CCN)c(C)s1 37712687 409334100 /nfs/dbraw/zinc/33/41/00/409334100.db2.gz YJABZXSGYZUEOI-QMMMGPOBSA-N 1 1 198.335 1.974 20 0 ADADMO C[C@H]([NH2+]CCN)c1ccc(Cl)cc1 37712354 409334357 /nfs/dbraw/zinc/33/43/57/409334357.db2.gz QNTISBBXQKARAK-QMMMGPOBSA-N 1 1 198.697 1.949 20 0 ADADMO Cc1ccc([C@@H](C)[NH2+]CCN)cc1 37712345 409334152 /nfs/dbraw/zinc/33/41/52/409334152.db2.gz IKKWNEBAXPECQT-SNVBAGLBSA-N 1 1 178.279 1.604 20 0 ADADMO CON1CCC([N@@H+](C)CC2CC2)CC1 651611930 409334168 /nfs/dbraw/zinc/33/41/68/409334168.db2.gz LFGIIXNGFSPPKK-UHFFFAOYSA-N 1 1 198.310 1.354 20 0 ADADMO Cc1ccc([C@H](C)[NH2+]CCN)cc1 37712346 409334208 /nfs/dbraw/zinc/33/42/08/409334208.db2.gz IKKWNEBAXPECQT-JTQLQIEISA-N 1 1 178.279 1.604 20 0 ADADMO Cc1ccc(C[N@H+](C)C[C@H](C)O)o1 37693964 409334216 /nfs/dbraw/zinc/33/42/16/409334216.db2.gz TUCFYPQHTQFWKU-QMMMGPOBSA-N 1 1 183.251 1.401 20 0 ADADMO CC[C@@H]([NH2+]CCN)c1ccccc1 37712348 409334228 /nfs/dbraw/zinc/33/42/28/409334228.db2.gz XYEMUWMYPKONJG-LLVKDONJSA-N 1 1 178.279 1.686 20 0 ADADMO CC[C@@H]([NH2+]CCN)c1ccc(C)cc1 37712499 409334287 /nfs/dbraw/zinc/33/42/87/409334287.db2.gz HSIBVWYVQCSUEP-GFCCVEGCSA-N 1 1 192.306 1.994 20 0 ADADMO COc1cccc([C@H](C)[NH2+]CCN)c1 37712410 409334322 /nfs/dbraw/zinc/33/43/22/409334322.db2.gz ILSASAGVDXLPKA-VIFPVBQESA-N 1 1 194.278 1.305 20 0 ADADMO Cc1ccc(C)c([C@@H](C)[NH2+]CCN)c1 37712483 409334387 /nfs/dbraw/zinc/33/43/87/409334387.db2.gz AYPFNVNEFJUROM-LLVKDONJSA-N 1 1 192.306 1.913 20 0 ADADMO CC[C@H](C)[N@@H+](C)C[C@@H](C)O 37693901 409334435 /nfs/dbraw/zinc/33/44/35/409334435.db2.gz LMAUQDLJRYJRIE-JGVFFNPUSA-N 1 1 145.246 1.098 20 0 ADADMO C[C@H]([NH2+]CCN)c1cccc(Cl)c1 37712548 409334443 /nfs/dbraw/zinc/33/44/43/409334443.db2.gz ZZTQUKNCPCYLMB-QMMMGPOBSA-N 1 1 198.697 1.949 20 0 ADADMO CC(C)[C@@H](NCC[NH3+])c1ccccc1 37713016 409334544 /nfs/dbraw/zinc/33/45/44/409334544.db2.gz HBUWDBYVIYHSIR-GFCCVEGCSA-N 1 1 192.306 1.932 20 0 ADADMO Cc1ccc(C)c([C@H](C)[NH2+]CCN)c1 37712484 409334626 /nfs/dbraw/zinc/33/46/26/409334626.db2.gz AYPFNVNEFJUROM-NSHDSACASA-N 1 1 192.306 1.913 20 0 ADADMO CC[C@H]([NH2+]CCN)c1ccccc1 37712347 409334638 /nfs/dbraw/zinc/33/46/38/409334638.db2.gz XYEMUWMYPKONJG-NSHDSACASA-N 1 1 178.279 1.686 20 0 ADADMO COc1cccc([C@@H](C)[NH2+]CCN)c1 37712411 409334691 /nfs/dbraw/zinc/33/46/91/409334691.db2.gz ILSASAGVDXLPKA-SECBINFHSA-N 1 1 194.278 1.305 20 0 ADADMO C[C@H]([NH2+]CCN)c1cccs1 37712384 409334859 /nfs/dbraw/zinc/33/48/59/409334859.db2.gz NMXCOILTJLZIKZ-ZETCQYMHSA-N 1 1 170.281 1.357 20 0 ADADMO CC[C@@H]([NH2+]CCN)c1ccc(F)cc1 37712428 409334873 /nfs/dbraw/zinc/33/48/73/409334873.db2.gz KSTQBJOWRCOGLX-LLVKDONJSA-N 1 1 196.269 1.825 20 0 ADADMO CCC[C@H](C)[N@@H+](C)C[C@@H](C)O 37694079 409334946 /nfs/dbraw/zinc/33/49/46/409334946.db2.gz WMAITGMEGRXFPF-DTWKUNHWSA-N 1 1 159.273 1.488 20 0 ADADMO C[C@@H](NCCC[NH3+])c1cccc(O)c1 37713290 409334959 /nfs/dbraw/zinc/33/49/59/409334959.db2.gz XGNYEZBQQAMURM-SECBINFHSA-N 1 1 194.278 1.392 20 0 ADADMO Cc1ccc(C[N@H+](C)C[C@@H](C)O)o1 37693963 409334964 /nfs/dbraw/zinc/33/49/64/409334964.db2.gz TUCFYPQHTQFWKU-MRVPVSSYSA-N 1 1 183.251 1.401 20 0 ADADMO C[C@H](O)C[N@@H+](C)Cc1ccsc1 37693978 409334981 /nfs/dbraw/zinc/33/49/81/409334981.db2.gz VGCOKBHQYDVUQR-QMMMGPOBSA-N 1 1 185.292 1.561 20 0 ADADMO CC[C@@H](O)C[N@@H+](C)Cc1ccccn1 37694037 409334989 /nfs/dbraw/zinc/33/49/89/409334989.db2.gz CQRWKVPQLRNJOB-LLVKDONJSA-N 1 1 194.278 1.284 20 0 ADADMO CC[C@@H](C)C[N@@H+](C)C[C@@H](C)O 37693459 409334999 /nfs/dbraw/zinc/33/49/99/409334999.db2.gz JLWIHSWWDQZLCT-RKDXNWHRSA-N 1 1 159.273 1.345 20 0 ADADMO Cc1cccc([C@@H](C)[NH2+]CCN)c1 37712942 409335047 /nfs/dbraw/zinc/33/50/47/409335047.db2.gz KRFZISBVBLUCDE-SNVBAGLBSA-N 1 1 178.279 1.604 20 0 ADADMO CCC[C@@H](C)[N@@H+](C)C[C@@H](C)O 37694078 409335058 /nfs/dbraw/zinc/33/50/58/409335058.db2.gz WMAITGMEGRXFPF-RKDXNWHRSA-N 1 1 159.273 1.488 20 0 ADADMO CC(C)[C@H](NCC[NH3+])c1ccccc1 37713015 409335099 /nfs/dbraw/zinc/33/50/99/409335099.db2.gz HBUWDBYVIYHSIR-LBPRGKRZSA-N 1 1 192.306 1.932 20 0 ADADMO Cc1ccc([C@H](C)[NH2+]CCN)cc1C 37712573 409335118 /nfs/dbraw/zinc/33/51/18/409335118.db2.gz FYUNIIIXPIHNGP-NSHDSACASA-N 1 1 192.306 1.913 20 0 ADADMO Cc1ccc([C@H](C)[NH2+]CCN)c(C)c1 37712474 409335144 /nfs/dbraw/zinc/33/51/44/409335144.db2.gz ZSEJZFUGNCFYNK-NSHDSACASA-N 1 1 192.306 1.913 20 0 ADADMO C[C@@H](C[NH2+]Cc1ccccn1)N(C)C 38088441 409338503 /nfs/dbraw/zinc/33/85/03/409338503.db2.gz XATJULSUCYSNTL-JTQLQIEISA-N 1 1 193.294 1.121 20 0 ADADMO C[N@@H+](CC1CC1)[C@H](CN)C1CC1 37925161 409338678 /nfs/dbraw/zinc/33/86/78/409338678.db2.gz RGSUPGZFPXPUCW-SNVBAGLBSA-N 1 1 168.284 1.066 20 0 ADADMO CCC(CC)C[N@H+]1CCCNCC1 38086884 409338835 /nfs/dbraw/zinc/33/88/35/409338835.db2.gz MDDWGEWTXCJJKE-UHFFFAOYSA-N 1 1 184.327 1.718 20 0 ADADMO CCC(CC)CN1CCC[NH2+]CC1 38086884 409338838 /nfs/dbraw/zinc/33/88/38/409338838.db2.gz MDDWGEWTXCJJKE-UHFFFAOYSA-N 1 1 184.327 1.718 20 0 ADADMO C[N@@H+](CC1CC1)[C@@H](CN)C1CC1 37925160 409339379 /nfs/dbraw/zinc/33/93/79/409339379.db2.gz RGSUPGZFPXPUCW-JTQLQIEISA-N 1 1 168.284 1.066 20 0 ADADMO C[C@@H](CNCc1ccsc1)[NH+](C)C 38088718 409339473 /nfs/dbraw/zinc/33/94/73/409339473.db2.gz RELCBLPQHKFMQE-VIFPVBQESA-N 1 1 198.335 1.788 20 0 ADADMO C[C@@H](CNCc1ccncc1)[NH+](C)C 38088712 409340118 /nfs/dbraw/zinc/34/01/18/409340118.db2.gz PZFBFCKMQDRXDY-JTQLQIEISA-N 1 1 193.294 1.121 20 0 ADADMO CC(C)CC[N@H+]1CCC[C@@H]1CN 39068421 409341967 /nfs/dbraw/zinc/34/19/67/409341967.db2.gz WBRZULPNYDEOPL-SNVBAGLBSA-N 1 1 170.300 1.456 20 0 ADADMO CCCN(CCC)C[C@@H](C)[NH3+] 39067643 409341955 /nfs/dbraw/zinc/34/19/55/409341955.db2.gz OKEOKWFNCVKUHT-SECBINFHSA-N 1 1 158.289 1.456 20 0 ADADMO CCCN(CCC)C[C@H](C)[NH3+] 39067644 409342178 /nfs/dbraw/zinc/34/21/78/409342178.db2.gz OKEOKWFNCVKUHT-VIFPVBQESA-N 1 1 158.289 1.456 20 0 ADADMO CC[C@H](C)[NH2+]C[C@@H](N)C(C)C 40407907 409343059 /nfs/dbraw/zinc/34/30/59/409343059.db2.gz VTVAOUZXDDNLEH-DTWKUNHWSA-N 1 1 158.289 1.358 20 0 ADADMO CC[C@@H](C)[NH2+]C[C@@H](N)C(C)C 40407903 409343225 /nfs/dbraw/zinc/34/32/25/409343225.db2.gz VTVAOUZXDDNLEH-RKDXNWHRSA-N 1 1 158.289 1.358 20 0 ADADMO C[C@H](N)C[NH2+]C1CCCCCC1 40397434 409343564 /nfs/dbraw/zinc/34/35/64/409343564.db2.gz RNCQIXUOQVNULS-VIFPVBQESA-N 1 1 170.300 1.646 20 0 ADADMO CC[C@@H](C)[NH2+]C[C@H](N)C(C)C 40407895 409343916 /nfs/dbraw/zinc/34/39/16/409343916.db2.gz VTVAOUZXDDNLEH-BDAKNGLRSA-N 1 1 158.289 1.358 20 0 ADADMO CC[C@H](C)[NH2+]C[C@H](N)C(C)C 40407899 409344593 /nfs/dbraw/zinc/34/45/93/409344593.db2.gz VTVAOUZXDDNLEH-IUCAKERBSA-N 1 1 158.289 1.358 20 0 ADADMO CCC[N@H+](CC(C)(C)N)C1CC1 40925880 409346343 /nfs/dbraw/zinc/34/63/43/409346343.db2.gz VLTVKMVQQFVFAE-UHFFFAOYSA-N 1 1 170.300 1.598 20 0 ADADMO CC(C)[C@H](C)[N@@H+](C)CC(C)(C)N 40925970 409345397 /nfs/dbraw/zinc/34/53/97/409345397.db2.gz VOEJFBAKFYOCNP-VIFPVBQESA-N 1 1 172.316 1.700 20 0 ADADMO CC(C)[C@H](C)N(C)CC(C)(C)[NH3+] 40925970 409345398 /nfs/dbraw/zinc/34/53/98/409345398.db2.gz VOEJFBAKFYOCNP-VIFPVBQESA-N 1 1 172.316 1.700 20 0 ADADMO CC[C@H](C)[NH2+]CC(C)(C)N 40926064 409345631 /nfs/dbraw/zinc/34/56/31/409345631.db2.gz XLTHSMHXFKRDPE-ZETCQYMHSA-N 1 1 144.262 1.112 20 0 ADADMO CCCN(CCC)CC(C)(C)[NH3+] 40925752 409345676 /nfs/dbraw/zinc/34/56/76/409345676.db2.gz OBKJIDHWOHVVBJ-UHFFFAOYSA-N 1 1 172.316 1.846 20 0 ADADMO NCC[NH2+][C@H](c1ccccc1)C1CC1 41075705 409346139 /nfs/dbraw/zinc/34/61/39/409346139.db2.gz GCHIVWMFUZMWFI-GFCCVEGCSA-N 1 1 190.290 1.686 20 0 ADADMO CC(C)CCc1nc(C[NH3+])no1 41052111 409346184 /nfs/dbraw/zinc/34/61/84/409346184.db2.gz BJVPDOOCDWLSNY-UHFFFAOYSA-N 1 1 169.228 1.117 20 0 ADADMO CC[C@H](C)C[N@@H+](C)CC(C)(C)N 40925909 409346457 /nfs/dbraw/zinc/34/64/57/409346457.db2.gz XWPFRJWQMKYJDK-VIFPVBQESA-N 1 1 172.316 1.702 20 0 ADADMO CCCN(CC(C)(C)[NH3+])C1CC1 40925880 409346340 /nfs/dbraw/zinc/34/63/40/409346340.db2.gz VLTVKMVQQFVFAE-UHFFFAOYSA-N 1 1 170.300 1.598 20 0 ADADMO CCC[N@@H+](CC(C)(C)N)C1CC1 40925880 409346348 /nfs/dbraw/zinc/34/63/48/409346348.db2.gz VLTVKMVQQFVFAE-UHFFFAOYSA-N 1 1 170.300 1.598 20 0 ADADMO CC[C@H](C)CN(C)CC(C)(C)[NH3+] 40925909 409346461 /nfs/dbraw/zinc/34/64/61/409346461.db2.gz XWPFRJWQMKYJDK-VIFPVBQESA-N 1 1 172.316 1.702 20 0 ADADMO CC[C@@H](C)[N@@H+](C)CC(C)(C)N 40925889 409346567 /nfs/dbraw/zinc/34/65/67/409346567.db2.gz HXSLTIFLLHKDSP-MRVPVSSYSA-N 1 1 158.289 1.454 20 0 ADADMO CC[C@@H](C)N(C)CC(C)(C)[NH3+] 40925889 409346571 /nfs/dbraw/zinc/34/65/71/409346571.db2.gz HXSLTIFLLHKDSP-MRVPVSSYSA-N 1 1 158.289 1.454 20 0 ADADMO C[C@H](CCO)[N@@H+](C)Cc1ccn(C)c1 652048440 409346843 /nfs/dbraw/zinc/34/68/43/409346843.db2.gz MZMNTEUXRKBISI-SNVBAGLBSA-N 1 1 196.294 1.228 20 0 ADADMO CC[C@@H](C)[NH2+]CC(C)(C)N 40926061 409346668 /nfs/dbraw/zinc/34/66/68/409346668.db2.gz XLTHSMHXFKRDPE-SSDOTTSWSA-N 1 1 144.262 1.112 20 0 ADADMO CCCCN(C)CC(C)(C)[NH3+] 40925777 409346776 /nfs/dbraw/zinc/34/67/76/409346776.db2.gz DZWHFVKRCYLYKJ-UHFFFAOYSA-N 1 1 158.289 1.456 20 0 ADADMO CCCC[N@H+](C)CC(C)(C)N 40925777 409346780 /nfs/dbraw/zinc/34/67/80/409346780.db2.gz DZWHFVKRCYLYKJ-UHFFFAOYSA-N 1 1 158.289 1.456 20 0 ADADMO CCCC[N@@H+](C)CC(C)(C)N 40925777 409346785 /nfs/dbraw/zinc/34/67/85/409346785.db2.gz DZWHFVKRCYLYKJ-UHFFFAOYSA-N 1 1 158.289 1.456 20 0 ADADMO NCC[NH2+][C@@H](c1ccccc1)C1CC1 41075704 409346959 /nfs/dbraw/zinc/34/69/59/409346959.db2.gz GCHIVWMFUZMWFI-LBPRGKRZSA-N 1 1 190.290 1.686 20 0 ADADMO Cc1nocc1C[N@H+](C)[C@H](C)CCO 652049415 409346998 /nfs/dbraw/zinc/34/69/98/409346998.db2.gz HFEUPSIITDKNNH-MRVPVSSYSA-N 1 1 198.266 1.186 20 0 ADADMO C[C@@H](CCO)[N@@H+](C)CC1(C)CC1 652049928 409347055 /nfs/dbraw/zinc/34/70/55/409347055.db2.gz QZNLNPAZWBYSNE-VIFPVBQESA-N 1 1 171.284 1.489 20 0 ADADMO CC(C)C[N@@H+](C)CC(C)(C)N 40925886 409347070 /nfs/dbraw/zinc/34/70/70/409347070.db2.gz PCNGBGQLVFTDTC-UHFFFAOYSA-N 1 1 158.289 1.312 20 0 ADADMO CC(C)CN(C)CC(C)(C)[NH3+] 40925886 409347076 /nfs/dbraw/zinc/34/70/76/409347076.db2.gz PCNGBGQLVFTDTC-UHFFFAOYSA-N 1 1 158.289 1.312 20 0 ADADMO C[C@H](CCO)[N@@H+](C)Cc1ccsc1 652047467 409347123 /nfs/dbraw/zinc/34/71/23/409347123.db2.gz QESGOPBMMGTGSD-SECBINFHSA-N 1 1 199.319 1.951 20 0 ADADMO C[C@H](CCO)[N@@H+](C)CC1=CCCOC1 652048079 409347185 /nfs/dbraw/zinc/34/71/85/409347185.db2.gz FAIVJABSQNJJMJ-SNVBAGLBSA-N 1 1 199.294 1.036 20 0 ADADMO Cc1ccoc1C[N@H+](C)[C@H](C)CCO 652047969 409347276 /nfs/dbraw/zinc/34/72/76/409347276.db2.gz BUHZNVUUKKJVBN-SNVBAGLBSA-N 1 1 197.278 1.791 20 0 ADADMO CC[C@H](C)[N@@H+](C)CC(C)(C)N 40925892 409347277 /nfs/dbraw/zinc/34/72/77/409347277.db2.gz HXSLTIFLLHKDSP-QMMMGPOBSA-N 1 1 158.289 1.454 20 0 ADADMO CC[C@H](C)N(C)CC(C)(C)[NH3+] 40925892 409347284 /nfs/dbraw/zinc/34/72/84/409347284.db2.gz HXSLTIFLLHKDSP-QMMMGPOBSA-N 1 1 158.289 1.454 20 0 ADADMO C[C@@H]1C[C@H]1C[N@H+](C)[C@H](C)CCO 652049179 409347294 /nfs/dbraw/zinc/34/72/94/409347294.db2.gz BBSZBLRZTLAFEK-BBBLOLIVSA-N 1 1 171.284 1.345 20 0 ADADMO C[C@@H](CCO)[N@@H+](C)Cc1ccco1 652047233 409347310 /nfs/dbraw/zinc/34/73/10/409347310.db2.gz KCSMLNZUVKMZAN-VIFPVBQESA-N 1 1 183.251 1.482 20 0 ADADMO C[C@H](C1CC1)[N@@H+](C)CC(C)(C)N 40925965 409347322 /nfs/dbraw/zinc/34/73/22/409347322.db2.gz AFGHGIGSRBJSQM-MRVPVSSYSA-N 1 1 170.300 1.454 20 0 ADADMO C[C@H](C1CC1)N(C)CC(C)(C)[NH3+] 40925965 409347325 /nfs/dbraw/zinc/34/73/25/409347325.db2.gz AFGHGIGSRBJSQM-MRVPVSSYSA-N 1 1 170.300 1.454 20 0 ADADMO C[C@H]1C[C@@H]1C[N@H+]1CCC[C@@H](O)C1 652060263 409347327 /nfs/dbraw/zinc/34/73/27/409347327.db2.gz FNKSUFUQRSRXOO-IVZWLZJFSA-N 1 1 169.268 1.099 20 0 ADADMO C[N@@H+](CC1CC1)CC(C)(C)N 40926045 409347351 /nfs/dbraw/zinc/34/73/51/409347351.db2.gz IFQRHZHGIPSKRV-UHFFFAOYSA-N 1 1 156.273 1.066 20 0 ADADMO CN(CC1CC1)CC(C)(C)[NH3+] 40926045 409347353 /nfs/dbraw/zinc/34/73/53/409347353.db2.gz IFQRHZHGIPSKRV-UHFFFAOYSA-N 1 1 156.273 1.066 20 0 ADADMO C[C@@H](CCO)[N@@H+](C)Cc1ccsc1 652047468 409347407 /nfs/dbraw/zinc/34/74/07/409347407.db2.gz QESGOPBMMGTGSD-VIFPVBQESA-N 1 1 199.319 1.951 20 0 ADADMO CC[C@@H](C)C[N@@H+](C)CC(C)(C)N 40925906 409347589 /nfs/dbraw/zinc/34/75/89/409347589.db2.gz XWPFRJWQMKYJDK-SECBINFHSA-N 1 1 172.316 1.702 20 0 ADADMO CC[C@@H](C)CN(C)CC(C)(C)[NH3+] 40925906 409347595 /nfs/dbraw/zinc/34/75/95/409347595.db2.gz XWPFRJWQMKYJDK-SECBINFHSA-N 1 1 172.316 1.702 20 0 ADADMO Cc1ccc(C[N@H+](C)[C@H](C)CCO)o1 652047591 409347610 /nfs/dbraw/zinc/34/76/10/409347610.db2.gz TZUFDKVBPMHTPJ-SECBINFHSA-N 1 1 197.278 1.791 20 0 ADADMO CC(C)[C@@H](C)[N@@H+](C)CC(C)(C)N 40925968 409347632 /nfs/dbraw/zinc/34/76/32/409347632.db2.gz VOEJFBAKFYOCNP-SECBINFHSA-N 1 1 172.316 1.700 20 0 ADADMO CC(C)[C@@H](C)N(C)CC(C)(C)[NH3+] 40925968 409347639 /nfs/dbraw/zinc/34/76/39/409347639.db2.gz VOEJFBAKFYOCNP-SECBINFHSA-N 1 1 172.316 1.700 20 0 ADADMO CCCC[N@@H+](CC)CC(C)(C)N 40925787 409347657 /nfs/dbraw/zinc/34/76/57/409347657.db2.gz AOTMFJQVOVTAJT-UHFFFAOYSA-N 1 1 172.316 1.846 20 0 ADADMO CCCCN(CC)CC(C)(C)[NH3+] 40925787 409347659 /nfs/dbraw/zinc/34/76/59/409347659.db2.gz AOTMFJQVOVTAJT-UHFFFAOYSA-N 1 1 172.316 1.846 20 0 ADADMO Cc1ccc(C[N@H+](C)[C@@H](C)CCO)o1 652047592 409347675 /nfs/dbraw/zinc/34/76/75/409347675.db2.gz TZUFDKVBPMHTPJ-VIFPVBQESA-N 1 1 197.278 1.791 20 0 ADADMO C[C@H](CCO)[N@@H+](C)Cc1cccn1C 652046998 409347768 /nfs/dbraw/zinc/34/77/68/409347768.db2.gz DKVXQZFLNOLHBG-SNVBAGLBSA-N 1 1 196.294 1.228 20 0 ADADMO C[C@@H](CCO)[N@@H+](C)C[C@@H]1C[C@H]1C 652049182 409347927 /nfs/dbraw/zinc/34/79/27/409347927.db2.gz BBSZBLRZTLAFEK-UTLUCORTSA-N 1 1 171.284 1.345 20 0 ADADMO C[C@@H](CCO)[N@@H+](C)C[C@H]1C[C@H]1C 652049180 409347945 /nfs/dbraw/zinc/34/79/45/409347945.db2.gz BBSZBLRZTLAFEK-KXUCPTDWSA-N 1 1 171.284 1.345 20 0 ADADMO C[C@@H](CCO)[N@@H+](C)CC1=CCCOC1 652048078 409347957 /nfs/dbraw/zinc/34/79/57/409347957.db2.gz FAIVJABSQNJJMJ-JTQLQIEISA-N 1 1 199.294 1.036 20 0 ADADMO CCC(CC)c1nc(C[NH3+])no1 41052030 409347958 /nfs/dbraw/zinc/34/79/58/409347958.db2.gz ANTHZGWFPXJWPU-UHFFFAOYSA-N 1 1 169.228 1.432 20 0 ADADMO Cc1nocc1C[N@H+](C)[C@@H](C)CCO 652049416 409348000 /nfs/dbraw/zinc/34/80/00/409348000.db2.gz HFEUPSIITDKNNH-QMMMGPOBSA-N 1 1 198.266 1.186 20 0 ADADMO C[C@@H]1C[C@@H]1C[N@H+](C)[C@H](C)CCO 652049181 409348037 /nfs/dbraw/zinc/34/80/37/409348037.db2.gz BBSZBLRZTLAFEK-OPRDCNLKSA-N 1 1 171.284 1.345 20 0 ADADMO Cc1ccoc1C[N@H+](C)[C@@H](C)CCO 652047968 409348151 /nfs/dbraw/zinc/34/81/51/409348151.db2.gz BUHZNVUUKKJVBN-JTQLQIEISA-N 1 1 197.278 1.791 20 0 ADADMO Cc1occc1C[N@H+](C)[C@@H](C)CCO 652049654 409348207 /nfs/dbraw/zinc/34/82/07/409348207.db2.gz LGUVMVYZXMLHGN-VIFPVBQESA-N 1 1 197.278 1.791 20 0 ADADMO C[C@H]1C[C@H]1C[N@H+]1CCC[C@@H](O)C1 652060264 409348283 /nfs/dbraw/zinc/34/82/83/409348283.db2.gz FNKSUFUQRSRXOO-LPEHRKFASA-N 1 1 169.268 1.099 20 0 ADADMO C[C@H](CCO)[N@@H+](C)CC1(C)CC1 652049927 409348293 /nfs/dbraw/zinc/34/82/93/409348293.db2.gz QZNLNPAZWBYSNE-SECBINFHSA-N 1 1 171.284 1.489 20 0 ADADMO C[C@@H](CCO)[N@@H+](C)Cc1ccn(C)c1 652048439 409348417 /nfs/dbraw/zinc/34/84/17/409348417.db2.gz MZMNTEUXRKBISI-JTQLQIEISA-N 1 1 196.294 1.228 20 0 ADADMO C[C@H](CCO)[N@@H+](C)Cc1ccco1 652047232 409348445 /nfs/dbraw/zinc/34/84/45/409348445.db2.gz KCSMLNZUVKMZAN-SECBINFHSA-N 1 1 183.251 1.482 20 0 ADADMO Cc1occc1C[N@H+](C)[C@H](C)CCO 652049653 409348549 /nfs/dbraw/zinc/34/85/49/409348549.db2.gz LGUVMVYZXMLHGN-SECBINFHSA-N 1 1 197.278 1.791 20 0 ADADMO C[C@@H](CCO)[N@@H+](C)Cc1cccn1C 652046997 409348582 /nfs/dbraw/zinc/34/85/82/409348582.db2.gz DKVXQZFLNOLHBG-JTQLQIEISA-N 1 1 196.294 1.228 20 0 ADADMO C[C@H](N)C[N@@H+](C)CC1CCCCC1 42318067 409349152 /nfs/dbraw/zinc/34/91/52/409349152.db2.gz LYKQTNLVKVGMJT-JTQLQIEISA-N 1 1 184.327 1.846 20 0 ADADMO C[C@H]([NH3+])CN(C)CC1CCCCC1 42318067 409349157 /nfs/dbraw/zinc/34/91/57/409349157.db2.gz LYKQTNLVKVGMJT-JTQLQIEISA-N 1 1 184.327 1.846 20 0 ADADMO CCc1ccc([C@H](C)[NH2+]CCN)s1 41631660 409349242 /nfs/dbraw/zinc/34/92/42/409349242.db2.gz UWYDXOOETNIXOM-QMMMGPOBSA-N 1 1 198.335 1.920 20 0 ADADMO Cn1cccc1C[N@@H+]1CCC[C@H](F)C1 652078961 409349829 /nfs/dbraw/zinc/34/98/29/409349829.db2.gz YGHOCZJWPVLKPV-JTQLQIEISA-N 1 1 196.269 1.959 20 0 ADADMO Cn1cccc1C[N@H+]1CCC[C@H](F)C1 652078961 409349833 /nfs/dbraw/zinc/34/98/33/409349833.db2.gz YGHOCZJWPVLKPV-JTQLQIEISA-N 1 1 196.269 1.959 20 0 ADADMO Cn1ccc(C[N@H+]2CCC[C@H](F)C2)c1 652077316 409349874 /nfs/dbraw/zinc/34/98/74/409349874.db2.gz ZYGCZXMMVPBASI-NSHDSACASA-N 1 1 196.269 1.959 20 0 ADADMO Cc1n[nH]cc1C[N@@H+]1CCC[C@H](F)C1 652077755 409349913 /nfs/dbraw/zinc/34/99/13/409349913.db2.gz PJYMTOGNIFVUTQ-JTQLQIEISA-N 1 1 197.257 1.652 20 0 ADADMO Cc1n[nH]cc1C[N@H+]1CCC[C@H](F)C1 652077755 409349919 /nfs/dbraw/zinc/34/99/19/409349919.db2.gz PJYMTOGNIFVUTQ-JTQLQIEISA-N 1 1 197.257 1.652 20 0 ADADMO F[C@@H]1CCC[N@@H+](CC2CC2)C1 652077398 409350059 /nfs/dbraw/zinc/35/00/59/409350059.db2.gz CLPMRMUGSOUXKL-SECBINFHSA-N 1 1 157.232 1.830 20 0 ADADMO CCc1ccc([C@@H](C)[NH2+]CCN)s1 41631656 409350110 /nfs/dbraw/zinc/35/01/10/409350110.db2.gz UWYDXOOETNIXOM-MRVPVSSYSA-N 1 1 198.335 1.920 20 0 ADADMO Cn1ccc(C[N@H+]2CCC[C@@H](F)C2)c1 652077315 409350432 /nfs/dbraw/zinc/35/04/32/409350432.db2.gz ZYGCZXMMVPBASI-LLVKDONJSA-N 1 1 196.269 1.959 20 0 ADADMO CCC[N@H+](CC1CC1)C[C@@H](C)N 42317763 409350474 /nfs/dbraw/zinc/35/04/74/409350474.db2.gz FTOHOZRDVVQNPQ-SECBINFHSA-N 1 1 170.300 1.456 20 0 ADADMO CCCN(CC1CC1)C[C@@H](C)[NH3+] 42317763 409350480 /nfs/dbraw/zinc/35/04/80/409350480.db2.gz FTOHOZRDVVQNPQ-SECBINFHSA-N 1 1 170.300 1.456 20 0 ADADMO F[C@H]1CCC[N@@H+](CC2CC2)C1 652077399 409350572 /nfs/dbraw/zinc/35/05/72/409350572.db2.gz CLPMRMUGSOUXKL-VIFPVBQESA-N 1 1 157.232 1.830 20 0 ADADMO Cn1cccc1C[N@@H+]1CCC[C@@H](F)C1 652078962 409350662 /nfs/dbraw/zinc/35/06/62/409350662.db2.gz YGHOCZJWPVLKPV-SNVBAGLBSA-N 1 1 196.269 1.959 20 0 ADADMO Cn1cccc1C[N@H+]1CCC[C@@H](F)C1 652078962 409350663 /nfs/dbraw/zinc/35/06/63/409350663.db2.gz YGHOCZJWPVLKPV-SNVBAGLBSA-N 1 1 196.269 1.959 20 0 ADADMO F[C@@H]1CCC[N@@H+](CC2=CCCOC2)C1 652077276 409350895 /nfs/dbraw/zinc/35/08/95/409350895.db2.gz XRGOPAXTVOSAOU-LLVKDONJSA-N 1 1 199.269 1.767 20 0 ADADMO CCC[N@H+](CC1CC1)C[C@H](C)N 42317767 409351037 /nfs/dbraw/zinc/35/10/37/409351037.db2.gz FTOHOZRDVVQNPQ-VIFPVBQESA-N 1 1 170.300 1.456 20 0 ADADMO CCCN(CC1CC1)C[C@H](C)[NH3+] 42317767 409351042 /nfs/dbraw/zinc/35/10/42/409351042.db2.gz FTOHOZRDVVQNPQ-VIFPVBQESA-N 1 1 170.300 1.456 20 0 ADADMO F[C@H]1CCC[N@@H+](CC2=CCCOC2)C1 652077277 409351093 /nfs/dbraw/zinc/35/10/93/409351093.db2.gz XRGOPAXTVOSAOU-NSHDSACASA-N 1 1 199.269 1.767 20 0 ADADMO Cc1n[nH]cc1C[N@@H+]1CCC[C@@H](F)C1 652077756 409351278 /nfs/dbraw/zinc/35/12/78/409351278.db2.gz PJYMTOGNIFVUTQ-SNVBAGLBSA-N 1 1 197.257 1.652 20 0 ADADMO Cc1n[nH]cc1C[N@H+]1CCC[C@@H](F)C1 652077756 409351282 /nfs/dbraw/zinc/35/12/82/409351282.db2.gz PJYMTOGNIFVUTQ-SNVBAGLBSA-N 1 1 197.257 1.652 20 0 ADADMO CC(C)C[N@@H+](CC(C)(C)N)C1CC1 42559880 409351885 /nfs/dbraw/zinc/35/18/85/409351885.db2.gz HRAWFLLTQKVLEG-UHFFFAOYSA-N 1 1 184.327 1.844 20 0 ADADMO CC(C)CN(CC(C)(C)[NH3+])C1CC1 42559880 409351890 /nfs/dbraw/zinc/35/18/90/409351890.db2.gz 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42593592 409352418 /nfs/dbraw/zinc/35/24/18/409352418.db2.gz RSEBHNSRFBNVOV-UHFFFAOYSA-N 1 1 184.327 1.844 20 0 ADADMO CC(C)C[C@@H](C)[N@@H+](C)C[C@@H](C)O 42589400 409352661 /nfs/dbraw/zinc/35/26/61/409352661.db2.gz DFYJRLFXPPMRIJ-NXEZZACHSA-N 1 1 173.300 1.734 20 0 ADADMO C[C@H]1CCCC[C@@H]1C[N@H+]1CC[C@H](N)C1 42864233 409352745 /nfs/dbraw/zinc/35/27/45/409352745.db2.gz SHTDCVCNLFZKAP-TUAOUCFPSA-N 1 1 196.338 1.846 20 0 ADADMO CC(C)C[C@H](C)[N@@H+](C)C[C@@H](C)O 42589403 409353651 /nfs/dbraw/zinc/35/36/51/409353651.db2.gz DFYJRLFXPPMRIJ-VHSXEESVSA-N 1 1 173.300 1.734 20 0 ADADMO C[C@@H]1CCCC[C@H]1C[N@H+]1CC[C@H](N)C1 42864236 409353777 /nfs/dbraw/zinc/35/37/77/409353777.db2.gz SHTDCVCNLFZKAP-WOPDTQHZSA-N 1 1 196.338 1.846 20 0 ADADMO CC(=O)C[N@H+](CC(C)C)C1CC1 42558494 409353870 /nfs/dbraw/zinc/35/38/70/409353870.db2.gz SDAFPNONODJDFH-UHFFFAOYSA-N 1 1 169.268 1.696 20 0 ADADMO CCC[N@@H+](C1CCNCC1)C1CC1 43501177 409354051 /nfs/dbraw/zinc/35/40/51/409354051.db2.gz 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C[N@@H+](CC1CCC1)[C@@H](CN)C1CC1 61454951 409398292 /nfs/dbraw/zinc/39/82/92/409398292.db2.gz CNWVAJUOOBSBAZ-NSHDSACASA-N 1 1 182.311 1.456 20 0 ADADMO C[N@@H+](CC1CCC1)[C@H](CN)C1CC1 61454954 409398435 /nfs/dbraw/zinc/39/84/35/409398435.db2.gz CNWVAJUOOBSBAZ-LLVKDONJSA-N 1 1 182.311 1.456 20 0 ADADMO C[N@@H+](CC1CCC1)CC(C)(C)N 61482978 409398826 /nfs/dbraw/zinc/39/88/26/409398826.db2.gz WJAXTQHRPKODSS-UHFFFAOYSA-N 1 1 170.300 1.456 20 0 ADADMO C[C@H](CN)[N@@H+](C)CC1CCC1 61454858 409398924 /nfs/dbraw/zinc/39/89/24/409398924.db2.gz QUUODVLYJQCVOP-MRVPVSSYSA-N 1 1 156.273 1.066 20 0 ADADMO C[C@H](C[NH3+])N(C)CC1CCC1 61454858 409398929 /nfs/dbraw/zinc/39/89/29/409398929.db2.gz QUUODVLYJQCVOP-MRVPVSSYSA-N 1 1 156.273 1.066 20 0 ADADMO CCCN(C)C(=O)Cn1cc[nH+]c1C 654923510 409400489 /nfs/dbraw/zinc/40/04/89/409400489.db2.gz XTSICDHNBZHRMQ-UHFFFAOYSA-N 1 1 195.266 1.060 20 0 ADADMO CCCCC[N@H+]1C[C@@H](C)NC[C@@H]1C 62567088 409401043 /nfs/dbraw/zinc/40/10/43/409401043.db2.gz IPLFECBPBPDBOQ-MNOVXSKESA-N 1 1 184.327 1.859 20 0 ADADMO CCCCCN1C[C@@H](C)[NH2+]C[C@@H]1C 62567088 409401048 /nfs/dbraw/zinc/40/10/48/409401048.db2.gz IPLFECBPBPDBOQ-MNOVXSKESA-N 1 1 184.327 1.859 20 0 ADADMO CC(C)CCC[N@@H+]1CC[C@@H](N)C1 62097915 409401248 /nfs/dbraw/zinc/40/12/48/409401248.db2.gz SJDZFBVJHKERKJ-SNVBAGLBSA-N 1 1 170.300 1.456 20 0 ADADMO CC(C)CCC[N@H+]1CC[C@@H](N)C1 62097915 409401251 /nfs/dbraw/zinc/40/12/51/409401251.db2.gz SJDZFBVJHKERKJ-SNVBAGLBSA-N 1 1 170.300 1.456 20 0 ADADMO CCCCC[N@H+]1CCNCC1(C)C 62567133 409402185 /nfs/dbraw/zinc/40/21/85/409402185.db2.gz FQYYGURBRXPGKI-UHFFFAOYSA-N 1 1 184.327 1.860 20 0 ADADMO CCCCCN1CC[NH2+]CC1(C)C 62567133 409402188 /nfs/dbraw/zinc/40/21/88/409402188.db2.gz FQYYGURBRXPGKI-UHFFFAOYSA-N 1 1 184.327 1.860 20 0 ADADMO CC(C)CCCN1CCC[NH2+]CC1 62097596 409402623 /nfs/dbraw/zinc/40/26/23/409402623.db2.gz MUYXLMNLANQCKS-UHFFFAOYSA-N 1 1 184.327 1.718 20 0 ADADMO CC(C)CCC[N@H+]1CCCNCC1 62097596 409402629 /nfs/dbraw/zinc/40/26/29/409402629.db2.gz MUYXLMNLANQCKS-UHFFFAOYSA-N 1 1 184.327 1.718 20 0 ADADMO CC(C)CCC[N@@H+]1CC[C@H](N)C1 62097913 409402642 /nfs/dbraw/zinc/40/26/42/409402642.db2.gz SJDZFBVJHKERKJ-JTQLQIEISA-N 1 1 170.300 1.456 20 0 ADADMO CC(C)CCC[N@H+]1CC[C@H](N)C1 62097913 409402644 /nfs/dbraw/zinc/40/26/44/409402644.db2.gz SJDZFBVJHKERKJ-JTQLQIEISA-N 1 1 170.300 1.456 20 0 ADADMO CCCCC[N@H+]1C[C@H](C)NC[C@@H]1C 62567086 409402695 /nfs/dbraw/zinc/40/26/95/409402695.db2.gz IPLFECBPBPDBOQ-QWRGUYRKSA-N 1 1 184.327 1.859 20 0 ADADMO CCCCCN1C[C@H](C)[NH2+]C[C@@H]1C 62567086 409402696 /nfs/dbraw/zinc/40/26/96/409402696.db2.gz IPLFECBPBPDBOQ-QWRGUYRKSA-N 1 1 184.327 1.859 20 0 ADADMO CCC[N@H+](C)Cc1cc(C)on1 65575411 409406225 /nfs/dbraw/zinc/40/62/25/409406225.db2.gz LPGYAOYTPWXUIH-UHFFFAOYSA-N 1 1 168.240 1.825 20 0 ADADMO CCC[N@@H+](C)Cc1cc(C)on1 65575411 409406232 /nfs/dbraw/zinc/40/62/32/409406232.db2.gz LPGYAOYTPWXUIH-UHFFFAOYSA-N 1 1 168.240 1.825 20 0 ADADMO CCC[N@@H+](C[C@@H](O)COC)C(C)C 68891022 409406389 /nfs/dbraw/zinc/40/63/89/409406389.db2.gz MNQGWIUTRZRPQT-SNVBAGLBSA-N 1 1 189.299 1.114 20 0 ADADMO CCC[N@@H+](C[C@H](O)COC)C(C)C 68891021 409406977 /nfs/dbraw/zinc/40/69/77/409406977.db2.gz MNQGWIUTRZRPQT-JTQLQIEISA-N 1 1 189.299 1.114 20 0 ADADMO CCCC[N@H+]1CCCC[C@H]1[C@@H](C)N 63191367 409407240 /nfs/dbraw/zinc/40/72/40/409407240.db2.gz JJIDFCILGPALQR-MNOVXSKESA-N 1 1 184.327 1.988 20 0 ADADMO CCCCN1CCCC[C@H]1[C@@H](C)[NH3+] 63191367 409407244 /nfs/dbraw/zinc/40/72/44/409407244.db2.gz JJIDFCILGPALQR-MNOVXSKESA-N 1 1 184.327 1.988 20 0 ADADMO CCCC[N@H+]1CCCC[C@@H]1[C@@H](C)N 63191366 409407446 /nfs/dbraw/zinc/40/74/46/409407446.db2.gz JJIDFCILGPALQR-GHMZBOCLSA-N 1 1 184.327 1.988 20 0 ADADMO CCCCN1CCCC[C@@H]1[C@@H](C)[NH3+] 63191366 409407450 /nfs/dbraw/zinc/40/74/50/409407450.db2.gz JJIDFCILGPALQR-GHMZBOCLSA-N 1 1 184.327 1.988 20 0 ADADMO Cc1ccsc1[C@@H](C)[NH2+]CCN 69636600 409408610 /nfs/dbraw/zinc/40/86/10/409408610.db2.gz XZTRHPHRGVCOBB-MRVPVSSYSA-N 1 1 184.308 1.666 20 0 ADADMO CCCCCN1C[C@@H](C)[NH2+][C@H](C)C1 69627661 409408659 /nfs/dbraw/zinc/40/86/59/409408659.db2.gz WWKHWPPSMCDFLU-GHMZBOCLSA-N 1 1 184.327 1.859 20 0 ADADMO CCCCC[N@H+]1C[C@H](C)N[C@H](C)C1 69627659 409409108 /nfs/dbraw/zinc/40/91/08/409409108.db2.gz WWKHWPPSMCDFLU-PHIMTYICSA-N 1 1 184.327 1.859 20 0 ADADMO CCCCCN1C[C@H](C)[NH2+][C@H](C)C1 69627659 409409112 /nfs/dbraw/zinc/40/91/12/409409112.db2.gz WWKHWPPSMCDFLU-PHIMTYICSA-N 1 1 184.327 1.859 20 0 ADADMO CCC[C@H](O)C[N@@H+](CC)CC1CC1 68947879 409409182 /nfs/dbraw/zinc/40/91/82/409409182.db2.gz UQJQWAFNVXRLOF-NSHDSACASA-N 1 1 185.311 1.879 20 0 ADADMO CC[C@H](C)C[N@H+]1C[C@H](C)N[C@H](C)C1 69627370 409409208 /nfs/dbraw/zinc/40/92/08/409409208.db2.gz ACOLWMAHQMDJRN-GARJFASQSA-N 1 1 184.327 1.715 20 0 ADADMO Cc1ccsc1[C@H](C)[NH2+]CCN 69636601 409409437 /nfs/dbraw/zinc/40/94/37/409409437.db2.gz XZTRHPHRGVCOBB-QMMMGPOBSA-N 1 1 184.308 1.666 20 0 ADADMO CCC(C)(C)[N@@H+](C)CC[C@@H](C)O 69000940 409409716 /nfs/dbraw/zinc/40/97/16/409409716.db2.gz MKZRWPMAFJHVPH-SECBINFHSA-N 1 1 173.300 1.878 20 0 ADADMO CC[N@@H+](CC1CC1)CC(C)(C)N 68947603 409409969 /nfs/dbraw/zinc/40/99/69/409409969.db2.gz ADAHKWFAQFQQBS-UHFFFAOYSA-N 1 1 170.300 1.456 20 0 ADADMO CCN(CC1CC1)CC(C)(C)[NH3+] 68947603 409409973 /nfs/dbraw/zinc/40/99/73/409409973.db2.gz ADAHKWFAQFQQBS-UHFFFAOYSA-N 1 1 170.300 1.456 20 0 ADADMO CC[C@@H](C)C[N@H+]1C[C@H](C)N[C@H](C)C1 69627368 409410103 /nfs/dbraw/zinc/41/01/03/409410103.db2.gz ACOLWMAHQMDJRN-MXWKQRLJSA-N 1 1 184.327 1.715 20 0 ADADMO CCC(C)(C)[N@@H+](C)CC[C@H](C)O 69000942 409410199 /nfs/dbraw/zinc/41/01/99/409410199.db2.gz MKZRWPMAFJHVPH-VIFPVBQESA-N 1 1 173.300 1.878 20 0 ADADMO CCC[C@@H](O)C[N@@H+](CC)CC1CC1 68947881 409410222 /nfs/dbraw/zinc/41/02/22/409410222.db2.gz UQJQWAFNVXRLOF-LLVKDONJSA-N 1 1 185.311 1.879 20 0 ADADMO CCCCCN1C[C@H](C)[NH2+][C@@H](C)C1 69627667 409410289 /nfs/dbraw/zinc/41/02/89/409410289.db2.gz WWKHWPPSMCDFLU-QWRGUYRKSA-N 1 1 184.327 1.859 20 0 ADADMO CC[C@@H](O)C[N@H+]1CCSC[C@@H]1C 69761315 409411042 /nfs/dbraw/zinc/41/10/42/409411042.db2.gz BYOJBVJZJJZUSS-DTWKUNHWSA-N 1 1 189.324 1.195 20 0 ADADMO CC(C)[C@H](C)c1nc(C[NH3+])no1 69690952 409411121 /nfs/dbraw/zinc/41/11/21/409411121.db2.gz OOBROEIFEDUVLF-LURJTMIESA-N 1 1 169.228 1.288 20 0 ADADMO CC(C)[C@@H](C)c1nc(C[NH3+])no1 69690949 409411256 /nfs/dbraw/zinc/41/12/56/409411256.db2.gz OOBROEIFEDUVLF-ZCFIWIBFSA-N 1 1 169.228 1.288 20 0 ADADMO CC[C@H](O)C[N@H+]1CCSC[C@@H]1C 69761314 409412557 /nfs/dbraw/zinc/41/25/57/409412557.db2.gz BYOJBVJZJJZUSS-IUCAKERBSA-N 1 1 189.324 1.195 20 0 ADADMO CCCc1[nH+]ccn1CC[C@H](C)O 69964405 409416440 /nfs/dbraw/zinc/41/64/40/409416440.db2.gz ORURIKMBDXCTRK-VIFPVBQESA-N 1 1 182.267 1.607 20 0 ADADMO CC[N@H+](CC1CC1)C[C@H](C)N 70079304 409416965 /nfs/dbraw/zinc/41/69/65/409416965.db2.gz RTFOLZDVYUPJHR-QMMMGPOBSA-N 1 1 156.273 1.066 20 0 ADADMO CCN(CC1CC1)C[C@H](C)[NH3+] 70079304 409416966 /nfs/dbraw/zinc/41/69/66/409416966.db2.gz RTFOLZDVYUPJHR-QMMMGPOBSA-N 1 1 156.273 1.066 20 0 ADADMO CC[N@H+](CC1CC1)C[C@@H](C)N 70079303 409416857 /nfs/dbraw/zinc/41/68/57/409416857.db2.gz RTFOLZDVYUPJHR-MRVPVSSYSA-N 1 1 156.273 1.066 20 0 ADADMO CCN(CC1CC1)C[C@@H](C)[NH3+] 70079303 409416865 /nfs/dbraw/zinc/41/68/65/409416865.db2.gz RTFOLZDVYUPJHR-MRVPVSSYSA-N 1 1 156.273 1.066 20 0 ADADMO C[C@H]1C[N@H+](C[C@@H](C)O)C[C@@H](C)S1 69908956 409417205 /nfs/dbraw/zinc/41/72/05/409417205.db2.gz YSJCQYVKBQQNMW-HLTSFMKQSA-N 1 1 189.324 1.193 20 0 ADADMO CC1([NH2+]Cc2ccn[nH]2)CC=CC1 655813795 409417372 /nfs/dbraw/zinc/41/73/72/409417372.db2.gz BPJRDSNJRBUTMY-UHFFFAOYSA-N 1 1 177.251 1.608 20 0 ADADMO CCCc1[nH+]ccn1CC[C@@H](C)O 69964403 409417416 /nfs/dbraw/zinc/41/74/16/409417416.db2.gz ORURIKMBDXCTRK-SECBINFHSA-N 1 1 182.267 1.607 20 0 ADADMO Cc1[nH]ncc1C[NH2+]C1(C)CC=CC1 655813943 409418600 /nfs/dbraw/zinc/41/86/00/409418600.db2.gz DZKVFEGPOXGHAW-UHFFFAOYSA-N 1 1 191.278 1.916 20 0 ADADMO Cc1c[nH]nc1C[NH2+]C1(C)CC=CC1 655816021 409418662 /nfs/dbraw/zinc/41/86/62/409418662.db2.gz MUENQISTEIRKRC-UHFFFAOYSA-N 1 1 191.278 1.916 20 0 ADADMO CC[C@@H](C)NC(=O)Cn1cc[nH+]c1C 70162633 409419028 /nfs/dbraw/zinc/41/90/28/409419028.db2.gz XVNKKAKZLJLBAK-MRVPVSSYSA-N 1 1 195.266 1.106 20 0 ADADMO CC[C@H](C)NC(=O)Cn1cc[nH+]c1C 70162634 409419060 /nfs/dbraw/zinc/41/90/60/409419060.db2.gz XVNKKAKZLJLBAK-QMMMGPOBSA-N 1 1 195.266 1.106 20 0 ADADMO CCN(CC)C(=O)Cn1cc[nH+]c1C 70162635 409419326 /nfs/dbraw/zinc/41/93/26/409419326.db2.gz BOWMUGQCWXEVKG-UHFFFAOYSA-N 1 1 195.266 1.060 20 0 ADADMO CCCCNC(=O)Cn1cc[nH+]c1C 70162575 409419611 /nfs/dbraw/zinc/41/96/11/409419611.db2.gz IFLIVVPYNYBZJS-UHFFFAOYSA-N 1 1 195.266 1.108 20 0 ADADMO Cc1[nH+]ccn1CCOC(C)C 70162646 409419852 /nfs/dbraw/zinc/41/98/52/409419852.db2.gz UVIPEQLOYMQYIR-UHFFFAOYSA-N 1 1 168.240 1.617 20 0 ADADMO CCCC(=O)NC[C@H]1CCC[N@H+]1CC 70225264 409420680 /nfs/dbraw/zinc/42/06/80/409420680.db2.gz XCNJLSPLEJQEBU-SNVBAGLBSA-N 1 1 198.310 1.387 20 0 ADADMO CCCC(=O)NC[C@@H]1CCC[N@H+]1CC 70225263 409421410 /nfs/dbraw/zinc/42/14/10/409421410.db2.gz XCNJLSPLEJQEBU-JTQLQIEISA-N 1 1 198.310 1.387 20 0 ADADMO C[C@H](O)C[N@@H+](C[C@@H]1C[C@@H]1C)C1CC1 656279270 409426528 /nfs/dbraw/zinc/42/65/28/409426528.db2.gz NGUVQLSTKPUVPJ-GUBZILKMSA-N 1 1 183.295 1.488 20 0 ADADMO C[C@H](O)C[N@@H+](C[C@H]1C[C@@H]1C)C1CC1 656279272 409426642 /nfs/dbraw/zinc/42/66/42/409426642.db2.gz NGUVQLSTKPUVPJ-LPEHRKFASA-N 1 1 183.295 1.488 20 0 ADADMO C[C@H](O)C[N@@H+](CC1(C)CC1)C1CC1 656280181 409426776 /nfs/dbraw/zinc/42/67/76/409426776.db2.gz WBXDUJZFNYODAJ-VIFPVBQESA-N 1 1 183.295 1.632 20 0 ADADMO Cc1noc(C[N@@H+](C)C[C@@H]2C[C@@H]2C)n1 656278583 409426878 /nfs/dbraw/zinc/42/68/78/409426878.db2.gz JSOYWJPDRIAJFM-CBAPKCEASA-N 1 1 195.266 1.466 20 0 ADADMO Cc1noc(C[N@H+](C)C[C@@H]2C[C@@H]2C)n1 656278583 409426886 /nfs/dbraw/zinc/42/68/86/409426886.db2.gz JSOYWJPDRIAJFM-CBAPKCEASA-N 1 1 195.266 1.466 20 0 ADADMO 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/nfs/dbraw/zinc/47/20/94/409472094.db2.gz ZOSSCEBUIHLRCQ-SNVBAGLBSA-N 1 1 189.274 1.583 20 0 ADADMO CC[C@@H]1OCC[C@H]1[NH2+]Cc1ccon1 657361046 409472323 /nfs/dbraw/zinc/47/23/23/409472323.db2.gz FWSOKYNXCIQODT-ZJUUUORDSA-N 1 1 196.250 1.332 20 0 ADADMO CC(C)CCC[N@@H+](C)[C@@H](C)CN 125518520 409472833 /nfs/dbraw/zinc/47/28/33/409472833.db2.gz QZAXZTYBHFZAML-JTQLQIEISA-N 1 1 172.316 1.702 20 0 ADADMO CC(C)CCCN(C)[C@@H](C)C[NH3+] 125518520 409472837 /nfs/dbraw/zinc/47/28/37/409472837.db2.gz QZAXZTYBHFZAML-JTQLQIEISA-N 1 1 172.316 1.702 20 0 ADADMO CC(C)CCCN(C)[C@H](C)C[NH3+] 125518722 409473226 /nfs/dbraw/zinc/47/32/26/409473226.db2.gz QZAXZTYBHFZAML-SNVBAGLBSA-N 1 1 172.316 1.702 20 0 ADADMO CC(C)CCC[N@@H+](C)[C@H](C)CN 125518722 409473222 /nfs/dbraw/zinc/47/32/22/409473222.db2.gz QZAXZTYBHFZAML-SNVBAGLBSA-N 1 1 172.316 1.702 20 0 ADADMO CCC(CC)C[N@@H+](C)[C@@H](C)CN 125554602 409473301 /nfs/dbraw/zinc/47/33/01/409473301.db2.gz HARFBYHGJSJYMD-VIFPVBQESA-N 1 1 172.316 1.702 20 0 ADADMO CCC(CC)CN(C)[C@@H](C)C[NH3+] 125554602 409473306 /nfs/dbraw/zinc/47/33/06/409473306.db2.gz HARFBYHGJSJYMD-VIFPVBQESA-N 1 1 172.316 1.702 20 0 ADADMO CCC(CC)C[N@@H+](C)[C@H](C)CN 125554842 409473881 /nfs/dbraw/zinc/47/38/81/409473881.db2.gz HARFBYHGJSJYMD-SECBINFHSA-N 1 1 172.316 1.702 20 0 ADADMO CCC(CC)CN(C)[C@H](C)C[NH3+] 125554842 409473886 /nfs/dbraw/zinc/47/38/86/409473886.db2.gz HARFBYHGJSJYMD-SECBINFHSA-N 1 1 172.316 1.702 20 0 ADADMO C[C@@H](CN)[N@@H+](C)CCC(C)(C)C 125541237 409474047 /nfs/dbraw/zinc/47/40/47/409474047.db2.gz HCSHAYGALXKXDB-VIFPVBQESA-N 1 1 172.316 1.702 20 0 ADADMO C[C@@H](C[NH3+])N(C)CCC(C)(C)C 125541237 409474051 /nfs/dbraw/zinc/47/40/51/409474051.db2.gz HCSHAYGALXKXDB-VIFPVBQESA-N 1 1 172.316 1.702 20 0 ADADMO C[C@H](CN)[N@@H+](C)CCC(C)(C)C 125541463 409474067 /nfs/dbraw/zinc/47/40/67/409474067.db2.gz HCSHAYGALXKXDB-SECBINFHSA-N 1 1 172.316 1.702 20 0 ADADMO C[C@H](C[NH3+])N(C)CCC(C)(C)C 125541463 409474072 /nfs/dbraw/zinc/47/40/72/409474072.db2.gz HCSHAYGALXKXDB-SECBINFHSA-N 1 1 172.316 1.702 20 0 ADADMO C[N@H+](CCCF)[C@@H](CN)C1CC1 126742001 409474822 /nfs/dbraw/zinc/47/48/22/409474822.db2.gz PWTGZBUVOZAUQE-VIFPVBQESA-N 1 1 174.263 1.015 20 0 ADADMO C[N@@H+](CCCF)[C@@H](CN)C1CC1 126742001 409474827 /nfs/dbraw/zinc/47/48/27/409474827.db2.gz PWTGZBUVOZAUQE-VIFPVBQESA-N 1 1 174.263 1.015 20 0 ADADMO CCC[C@H](O)C[N@@H+]1C[C@H]2CCC[C@H]2C1 126463706 409475129 /nfs/dbraw/zinc/47/51/29/409475129.db2.gz GXVILFJEVXEWRK-TUAOUCFPSA-N 1 1 197.322 1.879 20 0 ADADMO C[N@H+](CCCF)[C@H](CN)C1CC1 126742246 409475245 /nfs/dbraw/zinc/47/52/45/409475245.db2.gz PWTGZBUVOZAUQE-SECBINFHSA-N 1 1 174.263 1.015 20 0 ADADMO C[N@@H+](CCCF)[C@H](CN)C1CC1 126742246 409475250 /nfs/dbraw/zinc/47/52/50/409475250.db2.gz PWTGZBUVOZAUQE-SECBINFHSA-N 1 1 174.263 1.015 20 0 ADADMO CCC[C@@H](O)C[N@@H+]1C[C@H]2CCC[C@H]2C1 126463889 409475651 /nfs/dbraw/zinc/47/56/51/409475651.db2.gz GXVILFJEVXEWRK-GRYCIOLGSA-N 1 1 197.322 1.879 20 0 ADADMO CC(=O)C[N@@H+]1C[C@H]2CCC[C@H]2C1 126386201 409476031 /nfs/dbraw/zinc/47/60/31/409476031.db2.gz APWFOIIBCPMQMY-AOOOYVTPSA-N 1 1 167.252 1.307 20 0 ADADMO C[C@H]1CC[C@@H](N[C@@H]2CC[NH2+]C2)C1 128550078 409476856 /nfs/dbraw/zinc/47/68/56/409476856.db2.gz XTFGEXXLGNAKSV-IVZWLZJFSA-N 1 1 168.284 1.127 20 0 ADADMO CC(C)[C@H](O)C[N@@H+](C)C1CCC1 127726156 409477119 /nfs/dbraw/zinc/47/71/19/409477119.db2.gz ULIGQJAAWGDZEO-SNVBAGLBSA-N 1 1 171.284 1.488 20 0 ADADMO CCCn1nccc1C[NH2+][C@H](C)CF 657466654 409477145 /nfs/dbraw/zinc/47/71/45/409477145.db2.gz LRMAXDFBRHEHLH-SECBINFHSA-N 1 1 199.273 1.741 20 0 ADADMO CCCn1nccc1C[NH2+][C@@H](C)CF 657466655 409477206 /nfs/dbraw/zinc/47/72/06/409477206.db2.gz LRMAXDFBRHEHLH-VIFPVBQESA-N 1 1 199.273 1.741 20 0 ADADMO CC(C)[C@@H](O)C[N@@H+](C)C1CCC1 127726392 409477494 /nfs/dbraw/zinc/47/74/94/409477494.db2.gz ULIGQJAAWGDZEO-JTQLQIEISA-N 1 1 171.284 1.488 20 0 ADADMO C[C@H]1CC[C@H](N[C@@H]2CC[NH2+]C2)C1 128549626 409477772 /nfs/dbraw/zinc/47/77/72/409477772.db2.gz XTFGEXXLGNAKSV-LPEHRKFASA-N 1 1 168.284 1.127 20 0 ADADMO Cc1[nH+]cc(CNCC(F)F)n1C 657464135 409477919 /nfs/dbraw/zinc/47/79/19/409477919.db2.gz VSWGXKJNWIEQDG-UHFFFAOYSA-N 1 1 189.209 1.083 20 0 ADADMO CCC[C@H](O)C[N@@H+](C)C1CCC1 127730195 409478277 /nfs/dbraw/zinc/47/82/77/409478277.db2.gz LXFPMEJCTDGHJA-JTQLQIEISA-N 1 1 171.284 1.632 20 0 ADADMO CCC[C@@H](O)C[N@@H+](C)C1CCC1 127730441 409478636 /nfs/dbraw/zinc/47/86/36/409478636.db2.gz LXFPMEJCTDGHJA-SNVBAGLBSA-N 1 1 171.284 1.632 20 0 ADADMO CCC(CC)C[N@@H+](C)C[C@@H](C)O 128351966 409478750 /nfs/dbraw/zinc/47/87/50/409478750.db2.gz XFOROEIMJONSNP-SECBINFHSA-N 1 1 173.300 1.735 20 0 ADADMO c1cc(C[NH2+][C@@]23CCC[C@@H]2C3)[nH]n1 657550131 409478938 /nfs/dbraw/zinc/47/89/38/409478938.db2.gz GWGUBOAVYBHJMJ-PSASIEDQSA-N 1 1 177.251 1.442 20 0 ADADMO c1cc(C[NH2+][C@]23CCC[C@H]2C3)[nH]n1 657550138 409479412 /nfs/dbraw/zinc/47/94/12/409479412.db2.gz GWGUBOAVYBHJMJ-WPRPVWTQSA-N 1 1 177.251 1.442 20 0 ADADMO Cc1[nH]ncc1C[NH2+][C@@]12CCC[C@@H]1C2 657552743 409481482 /nfs/dbraw/zinc/48/14/82/409481482.db2.gz TWJJNKVNEWFKPE-GHMZBOCLSA-N 1 1 191.278 1.750 20 0 ADADMO Cc1c[nH]nc1C[NH2+][C@@]12CCC[C@@H]1C2 657550895 409481560 /nfs/dbraw/zinc/48/15/60/409481560.db2.gz FQSNAKYHMKDDQA-MWLCHTKSSA-N 1 1 191.278 1.750 20 0 ADADMO Cc1[nH]ncc1C[NH2+][C@]12CCC[C@H]1C2 657552745 409481591 /nfs/dbraw/zinc/48/15/91/409481591.db2.gz TWJJNKVNEWFKPE-QWRGUYRKSA-N 1 1 191.278 1.750 20 0 ADADMO Cc1c[nH]nc1C[NH2+][C@]12CCC[C@H]1C2 657550896 409481803 /nfs/dbraw/zinc/48/18/03/409481803.db2.gz FQSNAKYHMKDDQA-ONGXEEELSA-N 1 1 191.278 1.750 20 0 ADADMO CCC(CC)CN[C@@H]1CC[NH2+]C1 130252563 409482350 /nfs/dbraw/zinc/48/23/50/409482350.db2.gz WERIKVCNMTXZSI-SNVBAGLBSA-N 1 1 170.300 1.374 20 0 ADADMO Cc1nc(C[NH2+]C/C=C/CO)cs1 657593294 409482744 /nfs/dbraw/zinc/48/27/44/409482744.db2.gz SBOMCBJLNBQSRT-NSCUHMNNSA-N 1 1 198.291 1.090 20 0 ADADMO [NH3+][C@@H]1CCC[C@@H](NCc2ccoc2)C1 130615905 409482757 /nfs/dbraw/zinc/48/27/57/409482757.db2.gz IPWLTFCWLDRGMJ-GHMZBOCLSA-N 1 1 194.278 1.639 20 0 ADADMO Cc1nc(C[NH2+]C/C=C\CO)cs1 657593293 409482839 /nfs/dbraw/zinc/48/28/39/409482839.db2.gz SBOMCBJLNBQSRT-IHWYPQMZSA-N 1 1 198.291 1.090 20 0 ADADMO [NH3+][C@H]1CCC[C@H](NCc2ccoc2)C1 130615690 409482970 /nfs/dbraw/zinc/48/29/70/409482970.db2.gz IPWLTFCWLDRGMJ-QWRGUYRKSA-N 1 1 194.278 1.639 20 0 ADADMO [NH3+]C[C@@H]1CCC[C@H]1NCc1ccoc1 130634794 409482982 /nfs/dbraw/zinc/48/29/82/409482982.db2.gz AXPGCTSYKPADRG-WDEREUQCSA-N 1 1 194.278 1.497 20 0 ADADMO [NH3+]C[C@@H]1CCC[C@@H]1NCc1ccoc1 130634968 409483030 /nfs/dbraw/zinc/48/30/30/409483030.db2.gz AXPGCTSYKPADRG-QWRGUYRKSA-N 1 1 194.278 1.497 20 0 ADADMO [NH3+][C@@H]1CCC[C@H](NCc2ccoc2)C1 130616139 409483148 /nfs/dbraw/zinc/48/31/48/409483148.db2.gz IPWLTFCWLDRGMJ-MNOVXSKESA-N 1 1 194.278 1.639 20 0 ADADMO CCC(CC)CN[C@H]1CC[NH2+]C1 130252760 409483787 /nfs/dbraw/zinc/48/37/87/409483787.db2.gz WERIKVCNMTXZSI-JTQLQIEISA-N 1 1 170.300 1.374 20 0 ADADMO [NH3+]C[C@H]1CCC[C@@H]1NCc1ccoc1 130634587 409483899 /nfs/dbraw/zinc/48/38/99/409483899.db2.gz AXPGCTSYKPADRG-MNOVXSKESA-N 1 1 194.278 1.497 20 0 ADADMO [NH3+]C[C@H]1CCC[C@H]1NCc1ccoc1 130634363 409483937 /nfs/dbraw/zinc/48/39/37/409483937.db2.gz AXPGCTSYKPADRG-GHMZBOCLSA-N 1 1 194.278 1.497 20 0 ADADMO Cc1cnc(C[NH2+]C/C=C/CO)s1 657594989 409484722 /nfs/dbraw/zinc/48/47/22/409484722.db2.gz VUMNAVCKFMJQLD-NSCUHMNNSA-N 1 1 198.291 1.090 20 0 ADADMO [NH3+][C@H]1CCC[C@@H](NCc2ccoc2)C1 130615484 409484781 /nfs/dbraw/zinc/48/47/81/409484781.db2.gz IPWLTFCWLDRGMJ-WDEREUQCSA-N 1 1 194.278 1.639 20 0 ADADMO Cc1cnc(C[NH2+]C/C=C\CO)s1 657594987 409485028 /nfs/dbraw/zinc/48/50/28/409485028.db2.gz VUMNAVCKFMJQLD-IHWYPQMZSA-N 1 1 198.291 1.090 20 0 ADADMO CC(C)CC[N@H+]1C[C@@H](C[NH3+])C[C@@H]1C 131534007 409486189 /nfs/dbraw/zinc/48/61/89/409486189.db2.gz MVBPWBKAQCTCFY-WDEREUQCSA-N 1 1 184.327 1.702 20 0 ADADMO CC(C)CC[N@H+]1C[C@@H](C[NH3+])C[C@H]1C 131533818 409486281 /nfs/dbraw/zinc/48/62/81/409486281.db2.gz MVBPWBKAQCTCFY-GHMZBOCLSA-N 1 1 184.327 1.702 20 0 ADADMO CC(C)CC[N@H+]1C[C@H](C[NH3+])C[C@H]1C 131534203 409487459 /nfs/dbraw/zinc/48/74/59/409487459.db2.gz MVBPWBKAQCTCFY-MNOVXSKESA-N 1 1 184.327 1.702 20 0 ADADMO CC(C)CC[N@H+]1C[C@H](C[NH3+])C[C@@H]1C 131534416 409487506 /nfs/dbraw/zinc/48/75/06/409487506.db2.gz MVBPWBKAQCTCFY-QWRGUYRKSA-N 1 1 184.327 1.702 20 0 ADADMO Cc1[nH]ncc1C[NH2+]CCC(C)(C)F 657644216 409488548 /nfs/dbraw/zinc/48/85/48/409488548.db2.gz AGFLKRGZIAUYEF-UHFFFAOYSA-N 1 1 199.273 1.946 20 0 ADADMO Cc1c[nH]nc1C[NH2+]CCC(C)(C)F 657645082 409488598 /nfs/dbraw/zinc/48/85/98/409488598.db2.gz JNZRXLNBHVWSJI-UHFFFAOYSA-N 1 1 199.273 1.946 20 0 ADADMO C[C@H]1[C@@H](C)SCC[N@@H+]1C[C@@H](C)O 132619552 409488738 /nfs/dbraw/zinc/48/87/38/409488738.db2.gz FYTHVRCEKLWRRP-HRDYMLBCSA-N 1 1 189.324 1.193 20 0 ADADMO C[C@@H]1SCC[N@H+](C[C@@H](C)O)[C@H]1C 132619135 409488968 /nfs/dbraw/zinc/48/89/68/409488968.db2.gz FYTHVRCEKLWRRP-VGMNWLOBSA-N 1 1 189.324 1.193 20 0 ADADMO C[C@@H]1SCC[N@H+](C[C@@H](C)O)[C@@H]1C 132618948 409489156 /nfs/dbraw/zinc/48/91/56/409489156.db2.gz FYTHVRCEKLWRRP-HLTSFMKQSA-N 1 1 189.324 1.193 20 0 ADADMO C[C@H](O)C[N@H+]1CC[C@H](C)[C@@H](C)C1 132095595 409489413 /nfs/dbraw/zinc/48/94/13/409489413.db2.gz XPHHELHEXMTSKT-GUBZILKMSA-N 1 1 171.284 1.345 20 0 ADADMO CC[C@@H]([NH2+]Cc1n[nH]cc1C)C1CC1 657680227 409489549 /nfs/dbraw/zinc/48/95/49/409489549.db2.gz HTMRZHQVGHSKMQ-SNVBAGLBSA-N 1 1 193.294 1.996 20 0 ADADMO CC[C@H]([NH2+]Cc1n[nH]cc1C)C1CC1 657680226 409489608 /nfs/dbraw/zinc/48/96/08/409489608.db2.gz HTMRZHQVGHSKMQ-JTQLQIEISA-N 1 1 193.294 1.996 20 0 ADADMO C[C@@H](O)C[N@H+]1CCS[C@H](C)[C@H]1C 132619344 409489775 /nfs/dbraw/zinc/48/97/75/409489775.db2.gz FYTHVRCEKLWRRP-IWSPIJDZSA-N 1 1 189.324 1.193 20 0 ADADMO C[C@H](O)C[N@H+]1CC[C@@H](C)[C@@H](C)C1 132095402 409490014 /nfs/dbraw/zinc/49/00/14/409490014.db2.gz XPHHELHEXMTSKT-UTLUCORTSA-N 1 1 171.284 1.345 20 0 ADADMO 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/nfs/dbraw/zinc/71/74/27/409717427.db2.gz NUVPALOMYJIUOO-BDAKNGLRSA-N 1 1 170.300 1.312 20 0 ADADMO CC[C@H](C)C[N@H+]1CC[C@@H](F)[C@H](N)C1 662320415 409717527 /nfs/dbraw/zinc/71/75/27/409717527.db2.gz APOBGMZIFPYJFY-IVZWLZJFSA-N 1 1 188.290 1.404 20 0 ADADMO CCC[C@H](O)C[N@@H+](C)CCC1CC1 308406962 409717745 /nfs/dbraw/zinc/71/77/45/409717745.db2.gz MLSNYBJXHZTKSK-NSHDSACASA-N 1 1 185.311 1.879 20 0 ADADMO OCCCC[N@H+]1C[C@H]2CCCC[C@H]2C1 308407021 409717836 /nfs/dbraw/zinc/71/78/36/409717836.db2.gz DAYNPFGEQWGXGV-TXEJJXNPSA-N 1 1 197.322 1.881 20 0 ADADMO CC[C@@H]1CCC[C@H](C)[N@H+]1C[C@@H](C)N 662320689 409717882 /nfs/dbraw/zinc/71/78/82/409717882.db2.gz VVWJRYPCOUUDCL-OUAUKWLOSA-N 1 1 184.327 1.987 20 0 ADADMO COCC(C)(C)[N@@H+](C)C[C@@H](C)OC 308417095 409717973 /nfs/dbraw/zinc/71/79/73/409717973.db2.gz REFSDQDCXRFBKV-SECBINFHSA-N 1 1 189.299 1.378 20 0 ADADMO C[N@@H+](CCCCF)C1(CO)CCC1 308417223 409718041 /nfs/dbraw/zinc/71/80/41/409718041.db2.gz RFUATVBZPNCLBD-UHFFFAOYSA-N 1 1 189.274 1.583 20 0 ADADMO CC(C)[N@H+](C[C@H](C)N)C1CCC1 308406956 409718335 /nfs/dbraw/zinc/71/83/35/409718335.db2.gz MLPZDTFXXKLOMU-VIFPVBQESA-N 1 1 170.300 1.597 20 0 ADADMO CC(C)N(C[C@H](C)[NH3+])C1CCC1 308406956 409718341 /nfs/dbraw/zinc/71/83/41/409718341.db2.gz MLPZDTFXXKLOMU-VIFPVBQESA-N 1 1 170.300 1.597 20 0 ADADMO CC/C=C(\C)c1nc(C[NH3+])no1 308421393 409718887 /nfs/dbraw/zinc/71/88/87/409718887.db2.gz TUZHMKCFFJSTGC-GQCTYLIASA-N 1 1 167.212 1.342 20 0 ADADMO CC(C)[N@H+](C[C@@H](C)N)C1CCC1 308406952 409719165 /nfs/dbraw/zinc/71/91/65/409719165.db2.gz MLPZDTFXXKLOMU-SECBINFHSA-N 1 1 170.300 1.597 20 0 ADADMO CC(C)N(C[C@@H](C)[NH3+])C1CCC1 308406952 409719179 /nfs/dbraw/zinc/71/91/79/409719179.db2.gz MLPZDTFXXKLOMU-SECBINFHSA-N 1 1 170.300 1.597 20 0 ADADMO COCC(C)(C)[N@@H+](C)C[C@H](C)OC 308417099 409719283 /nfs/dbraw/zinc/71/92/83/409719283.db2.gz REFSDQDCXRFBKV-VIFPVBQESA-N 1 1 189.299 1.378 20 0 ADADMO C[C@H](O)CC[N@@H+](C)C[C@H]1CC1(C)C 662345040 409719426 /nfs/dbraw/zinc/71/94/26/409719426.db2.gz UTPKRJKPPSINDC-VHSXEESVSA-N 1 1 185.311 1.735 20 0 ADADMO C[C@@H](O)CC[N@@H+](C)C[C@@H]1CC1(C)C 662345041 409719475 /nfs/dbraw/zinc/71/94/75/409719475.db2.gz UTPKRJKPPSINDC-ZJUUUORDSA-N 1 1 185.311 1.735 20 0 ADADMO COC[C@@H](C)[N@@H+](C)C[C@H]1CC1(C)C 662344763 409719513 /nfs/dbraw/zinc/71/95/13/409719513.db2.gz DQRBTVYOHGAGJU-NXEZZACHSA-N 1 1 185.311 1.999 20 0 ADADMO CC(C)[C@@H](O)C[N@@H+](C)C[C@@H]1CC1(C)C 662345472 409719655 /nfs/dbraw/zinc/71/96/55/409719655.db2.gz YZHAEYYDRBVCNA-QWRGUYRKSA-N 1 1 199.338 1.981 20 0 ADADMO COC[C@H](C)[N@@H+](C)C[C@@H]1CC1(C)C 662344765 409719720 /nfs/dbraw/zinc/71/97/20/409719720.db2.gz DQRBTVYOHGAGJU-UWVGGRQHSA-N 1 1 185.311 1.999 20 0 ADADMO C[C@@H](O)C[N@@H+](C)C[C@H]1CC1(C)C 662343230 409719741 /nfs/dbraw/zinc/71/97/41/409719741.db2.gz JJHLOEYEWLOYND-RKDXNWHRSA-N 1 1 171.284 1.345 20 0 ADADMO CCC[C@@H](O)C[N@@H+](C)CCC1CC1 308406959 409719772 /nfs/dbraw/zinc/71/97/72/409719772.db2.gz MLSNYBJXHZTKSK-LLVKDONJSA-N 1 1 185.311 1.879 20 0 ADADMO CC(C)[C@@H](O)C[N@@H+](C)C[C@H]1CC1(C)C 662345471 409719891 /nfs/dbraw/zinc/71/98/91/409719891.db2.gz YZHAEYYDRBVCNA-MNOVXSKESA-N 1 1 199.338 1.981 20 0 ADADMO CC[N@@H+](CCOC(C)C)[C@H](C)CO 308399022 409719974 /nfs/dbraw/zinc/71/99/74/409719974.db2.gz HCKWAIMWBSXXTH-SNVBAGLBSA-N 1 1 189.299 1.114 20 0 ADADMO COC[C@@H](C)[N@@H+](C)C[C@@H]1CC1(C)C 662344767 409720217 /nfs/dbraw/zinc/72/02/17/409720217.db2.gz DQRBTVYOHGAGJU-ZJUUUORDSA-N 1 1 185.311 1.999 20 0 ADADMO C[C@H](O)CC[N@@H+](C)C[C@@H]1CC1(C)C 662345039 409720371 /nfs/dbraw/zinc/72/03/71/409720371.db2.gz UTPKRJKPPSINDC-UWVGGRQHSA-N 1 1 185.311 1.735 20 0 ADADMO CN(C)C(=O)C[N@@H+](C)C[C@@H]1CC1(C)C 662345034 409720572 /nfs/dbraw/zinc/72/05/72/409720572.db2.gz UPNQZZVJHGNAER-VIFPVBQESA-N 1 1 198.310 1.053 20 0 ADADMO COCC[N@@H+](C)C[C@H]1CC1(C)C 662343657 409720644 /nfs/dbraw/zinc/72/06/44/409720644.db2.gz BWYGKXAJTHKGHV-SECBINFHSA-N 1 1 171.284 1.611 20 0 ADADMO C[N@H+](Cc1cc[nH]n1)C[C@@H]1CC1(C)C 662344755 409720684 /nfs/dbraw/zinc/72/06/84/409720684.db2.gz SFWSXLYDOBOAFY-VIFPVBQESA-N 1 1 193.294 1.888 20 0 ADADMO C[N@H+](Cc1cc[nH]n1)C[C@H]1CC1(C)C 662344754 409720712 /nfs/dbraw/zinc/72/07/12/409720712.db2.gz SFWSXLYDOBOAFY-SECBINFHSA-N 1 1 193.294 1.888 20 0 ADADMO COC[C@H](C)[N@@H+](C)C[C@H]1CC1(C)C 662344766 409720831 /nfs/dbraw/zinc/72/08/31/409720831.db2.gz DQRBTVYOHGAGJU-VHSXEESVSA-N 1 1 185.311 1.999 20 0 ADADMO C[C@H](O)C[N@@H+](C)C[C@@H]1CC1(C)C 662343229 409720938 /nfs/dbraw/zinc/72/09/38/409720938.db2.gz JJHLOEYEWLOYND-IUCAKERBSA-N 1 1 171.284 1.345 20 0 ADADMO C[C@H](O)C[N@@H+](C)C[C@H]1CC1(C)C 662343227 409720966 /nfs/dbraw/zinc/72/09/66/409720966.db2.gz JJHLOEYEWLOYND-DTWKUNHWSA-N 1 1 171.284 1.345 20 0 ADADMO COCC[N@@H+](C)C[C@@H]1CC1(C)C 662343658 409721100 /nfs/dbraw/zinc/72/11/00/409721100.db2.gz BWYGKXAJTHKGHV-VIFPVBQESA-N 1 1 171.284 1.611 20 0 ADADMO CC(C)[C@H](O)C[N@@H+](C)C[C@@H]1CC1(C)C 662345473 409721111 /nfs/dbraw/zinc/72/11/11/409721111.db2.gz YZHAEYYDRBVCNA-WDEREUQCSA-N 1 1 199.338 1.981 20 0 ADADMO C[C@@H](O)C[N@@H+](C)C[C@@H]1CC1(C)C 662343225 409721210 /nfs/dbraw/zinc/72/12/10/409721210.db2.gz JJHLOEYEWLOYND-BDAKNGLRSA-N 1 1 171.284 1.345 20 0 ADADMO C[N@H+](Cc1cn[nH]c1)C[C@H]1CC1(C)C 662343882 409721270 /nfs/dbraw/zinc/72/12/70/409721270.db2.gz CWFICZKLHURUSU-SNVBAGLBSA-N 1 1 193.294 1.888 20 0 ADADMO CN(C)C(=O)C[N@@H+](C)C[C@H]1CC1(C)C 662345033 409721282 /nfs/dbraw/zinc/72/12/82/409721282.db2.gz UPNQZZVJHGNAER-SECBINFHSA-N 1 1 198.310 1.053 20 0 ADADMO C[C@@H](O)CC[N@@H+](C)C[C@H]1CC1(C)C 662345038 409721414 /nfs/dbraw/zinc/72/14/14/409721414.db2.gz UTPKRJKPPSINDC-NXEZZACHSA-N 1 1 185.311 1.735 20 0 ADADMO CC(C)[C@H](O)C[N@@H+](C)C[C@H]1CC1(C)C 662345470 409721499 /nfs/dbraw/zinc/72/14/99/409721499.db2.gz YZHAEYYDRBVCNA-GHMZBOCLSA-N 1 1 199.338 1.981 20 0 ADADMO C[N@H+](Cc1cn[nH]c1)C[C@@H]1CC1(C)C 662343871 409721590 /nfs/dbraw/zinc/72/15/90/409721590.db2.gz CWFICZKLHURUSU-JTQLQIEISA-N 1 1 193.294 1.888 20 0 ADADMO CC[N@@H+](CC(C)(C)N)C1CCC1 308430093 409721842 /nfs/dbraw/zinc/72/18/42/409721842.db2.gz ZEQKJBGNASRHIR-UHFFFAOYSA-N 1 1 170.300 1.598 20 0 ADADMO CCN(CC(C)(C)[NH3+])C1CCC1 308430093 409721846 /nfs/dbraw/zinc/72/18/46/409721846.db2.gz ZEQKJBGNASRHIR-UHFFFAOYSA-N 1 1 170.300 1.598 20 0 ADADMO COCC[C@H](C)[N@H+]1CCO[C@H](C)C1 308456925 409722066 /nfs/dbraw/zinc/72/20/66/409722066.db2.gz GHQRLCRCAVGSSA-VHSXEESVSA-N 1 1 187.283 1.132 20 0 ADADMO COCC[C@@H](C)[N@H+]1CCO[C@H](C)C1 308456913 409722505 /nfs/dbraw/zinc/72/25/05/409722505.db2.gz GHQRLCRCAVGSSA-NXEZZACHSA-N 1 1 187.283 1.132 20 0 ADADMO CCNC(=O)C[N@@H+](C)C[C@@H]1CC1(C)C 662347909 409722620 /nfs/dbraw/zinc/72/26/20/409722620.db2.gz LNJAAKAGUNVGKG-VIFPVBQESA-N 1 1 198.310 1.100 20 0 ADADMO COCC[C@H](C)[N@H+]1CCO[C@@H](C)C1 308456919 409722819 /nfs/dbraw/zinc/72/28/19/409722819.db2.gz GHQRLCRCAVGSSA-UWVGGRQHSA-N 1 1 187.283 1.132 20 0 ADADMO CCC[C@H](C)[N@H+]1CCCN(C)CC1 662379919 409722914 /nfs/dbraw/zinc/72/29/14/409722914.db2.gz KKLRDQFGRPHACH-NSHDSACASA-N 1 1 184.327 1.813 20 0 ADADMO CC[N@@H+](C)C[C@H]1CC1(C)C 662347381 409723029 /nfs/dbraw/zinc/72/30/29/409723029.db2.gz JOHPXAMXNKRXCD-MRVPVSSYSA-N 1 1 141.258 1.984 20 0 ADADMO CO[C@@H](C)C[N@@H+](C)C[C@H]1CC1(C)C 662345838 409723260 /nfs/dbraw/zinc/72/32/60/409723260.db2.gz MIHBCDIBOFAXJF-VHSXEESVSA-N 1 1 185.311 1.999 20 0 ADADMO CCNC(=O)C[N@@H+](C)C[C@H]1CC1(C)C 662347908 409724456 /nfs/dbraw/zinc/72/44/56/409724456.db2.gz LNJAAKAGUNVGKG-SECBINFHSA-N 1 1 198.310 1.100 20 0 ADADMO CC/C=C\CC[N@H+]1CCCN(C)CC1 662379921 409723412 /nfs/dbraw/zinc/72/34/12/409723412.db2.gz LLPGAWGXZSZUBG-PLNGDYQASA-N 1 1 196.338 1.980 20 0 ADADMO CC/C=C\CCN1CCC[N@H+](C)CC1 662379921 409723417 /nfs/dbraw/zinc/72/34/17/409723417.db2.gz LLPGAWGXZSZUBG-PLNGDYQASA-N 1 1 196.338 1.980 20 0 ADADMO CC/C=C\CCN1CCC[N@@H+](C)CC1 662379921 409723426 /nfs/dbraw/zinc/72/34/26/409723426.db2.gz LLPGAWGXZSZUBG-PLNGDYQASA-N 1 1 196.338 1.980 20 0 ADADMO C[N@@H+](CCCO)C[C@@H]1CC1(C)C 662345573 409723499 /nfs/dbraw/zinc/72/34/99/409723499.db2.gz JLGOPZWHXAFXRT-VIFPVBQESA-N 1 1 171.284 1.347 20 0 ADADMO CC[C@@H](O)C[N@@H+](C)C[C@@H]1CC1(C)C 662347259 409723577 /nfs/dbraw/zinc/72/35/77/409723577.db2.gz ZEMGEJOWBWPQAH-VHSXEESVSA-N 1 1 185.311 1.735 20 0 ADADMO COCC[C@@H](C)[N@H+]1CCO[C@@H](C)C1 308456931 409723609 /nfs/dbraw/zinc/72/36/09/409723609.db2.gz GHQRLCRCAVGSSA-ZJUUUORDSA-N 1 1 187.283 1.132 20 0 ADADMO CNC(=O)CC[N@@H+](C)C[C@H]1CC1(C)C 662346945 409723612 /nfs/dbraw/zinc/72/36/12/409723612.db2.gz GEOILHVMZMFCFO-SECBINFHSA-N 1 1 198.310 1.100 20 0 ADADMO CNC(=O)CC[N@@H+](C)C[C@@H]1CC1(C)C 662346946 409723644 /nfs/dbraw/zinc/72/36/44/409723644.db2.gz GEOILHVMZMFCFO-VIFPVBQESA-N 1 1 198.310 1.100 20 0 ADADMO CCC[C@@H](C)[N@H+]1CCCN(C)CC1 662379917 409723770 /nfs/dbraw/zinc/72/37/70/409723770.db2.gz KKLRDQFGRPHACH-LLVKDONJSA-N 1 1 184.327 1.813 20 0 ADADMO CC[C@@H](C(N)=O)[N@@H+](C)C[C@H]1CC1(C)C 662346748 409723958 /nfs/dbraw/zinc/72/39/58/409723958.db2.gz DLZNOOJWGRHDSN-BDAKNGLRSA-N 1 1 198.310 1.228 20 0 ADADMO CC[C@H](C(N)=O)[N@@H+](C)C[C@H]1CC1(C)C 662346756 409724086 /nfs/dbraw/zinc/72/40/86/409724086.db2.gz DLZNOOJWGRHDSN-RKDXNWHRSA-N 1 1 198.310 1.228 20 0 ADADMO CC[C@@H](O)C[N@@H+](C)C[C@H]1CC1(C)C 662347258 409724218 /nfs/dbraw/zinc/72/42/18/409724218.db2.gz ZEMGEJOWBWPQAH-NXEZZACHSA-N 1 1 185.311 1.735 20 0 ADADMO CO[C@H](C)C[N@@H+](C)C[C@@H]1CC1(C)C 662345839 409724252 /nfs/dbraw/zinc/72/42/52/409724252.db2.gz MIHBCDIBOFAXJF-ZJUUUORDSA-N 1 1 185.311 1.999 20 0 ADADMO CC[C@H](C(N)=O)[N@@H+](C)C[C@@H]1CC1(C)C 662346752 409724501 /nfs/dbraw/zinc/72/45/01/409724501.db2.gz DLZNOOJWGRHDSN-DTWKUNHWSA-N 1 1 198.310 1.228 20 0 ADADMO CC[N@@H+](C)C[C@@H]1CC1(C)C 662347382 409724656 /nfs/dbraw/zinc/72/46/56/409724656.db2.gz JOHPXAMXNKRXCD-QMMMGPOBSA-N 1 1 141.258 1.984 20 0 ADADMO CC[C@@H](C(N)=O)[N@@H+](C)C[C@@H]1CC1(C)C 662346754 409724674 /nfs/dbraw/zinc/72/46/74/409724674.db2.gz 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409725868 /nfs/dbraw/zinc/72/58/68/409725868.db2.gz UHHPAXSUJCCWLY-SNVBAGLBSA-N 1 1 187.283 1.134 20 0 ADADMO CC12CC(C[N@H+]1[C@@H]1CCCOC1)C2 662384802 409726088 /nfs/dbraw/zinc/72/60/88/409726088.db2.gz XDEYZXFTNNEBJL-HSOILSAZSA-N 1 1 181.279 1.650 20 0 ADADMO CCC[N@H+]1CCOC[C@@H]1CCOC 308496504 409726716 /nfs/dbraw/zinc/72/67/16/409726716.db2.gz UHHPAXSUJCCWLY-JTQLQIEISA-N 1 1 187.283 1.134 20 0 ADADMO CC12CC(C[N@H+]1[C@H]1CCCOC1)C2 662384803 409729273 /nfs/dbraw/zinc/72/92/73/409729273.db2.gz XDEYZXFTNNEBJL-YVNMAJEFSA-N 1 1 181.279 1.650 20 0 ADADMO COc1cccc(C[NH2+][C@@H](C)CF)n1 308519763 409730397 /nfs/dbraw/zinc/73/03/97/409730397.db2.gz RBCJRQKYRRNYQV-QMMMGPOBSA-N 1 1 198.241 1.538 20 0 ADADMO CC[N@@H+](Cc1ccccn1)[C@H](C)CO 308550745 409733416 /nfs/dbraw/zinc/73/34/16/409733416.db2.gz PYNMBXBGDGPHDH-SNVBAGLBSA-N 1 1 194.278 1.284 20 0 ADADMO CC[N@@H+](Cc1ccccn1)[C@@H](C)CO 308550744 409734011 /nfs/dbraw/zinc/73/40/11/409734011.db2.gz PYNMBXBGDGPHDH-JTQLQIEISA-N 1 1 194.278 1.284 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188.315 1.082 20 0 ADADMO COCCCCCN(C)[C@H](C)C[NH3+] 308559883 409738032 /nfs/dbraw/zinc/73/80/32/409738032.db2.gz DPKCHRPMUHUFMI-SNVBAGLBSA-N 1 1 188.315 1.082 20 0 ADADMO C[C@H](C[NH3+])CN[C@H](C)c1cccnc1 308607330 409739496 /nfs/dbraw/zinc/73/94/96/409739496.db2.gz JGYGXJZWULFDMR-NXEZZACHSA-N 1 1 193.294 1.327 20 0 ADADMO Cc1nnc([C@H](C)[N@H+](C)CC2CC2)[nH]1 662489753 409739948 /nfs/dbraw/zinc/73/99/48/409739948.db2.gz LCQRIMUCKVJKGQ-ZETCQYMHSA-N 1 1 194.282 1.516 20 0 ADADMO Cc1nnc([C@H](C)[N@@H+](C)CC2CC2)[nH]1 662489753 409739955 /nfs/dbraw/zinc/73/99/55/409739955.db2.gz LCQRIMUCKVJKGQ-ZETCQYMHSA-N 1 1 194.282 1.516 20 0 ADADMO C[N@@H+](CCc1cncs1)C1CC1 662470450 409740234 /nfs/dbraw/zinc/74/02/34/409740234.db2.gz SQVXDOVBFAHQEF-UHFFFAOYSA-N 1 1 182.292 1.780 20 0 ADADMO CN(C)CC(C)(C)[NH2+]Cc1ccco1 308616113 409740493 /nfs/dbraw/zinc/74/04/93/409740493.db2.gz PDLWQVHPNUXHLA-UHFFFAOYSA-N 1 1 196.294 1.709 20 0 ADADMO Cc1nnc([C@@H](C)[N@H+](C)CC2CC2)[nH]1 662489751 409740559 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1.525 20 0 ADADMO CC(C)[C@H](C)[N@@H+](C)C[C@@H]1CCOC1 379407855 409842061 /nfs/dbraw/zinc/84/20/61/409842061.db2.gz ZSQHMSHFSVKEQS-QWRGUYRKSA-N 1 1 185.311 1.999 20 0 ADADMO CC(C)[C@@H](C)[N@@H+](C)C[C@@H]1CCOC1 379407854 409842100 /nfs/dbraw/zinc/84/21/00/409842100.db2.gz ZSQHMSHFSVKEQS-MNOVXSKESA-N 1 1 185.311 1.999 20 0 ADADMO CC(C)CCC[N@H+]1CCO[C@H]2C[C@H]21 379397234 409842176 /nfs/dbraw/zinc/84/21/76/409842176.db2.gz MIDLQIPFXHBOOF-MNOVXSKESA-N 1 1 183.295 1.896 20 0 ADADMO CC(C)CC[N@@H+](C)C1(CO)CCC1 379397989 409842929 /nfs/dbraw/zinc/84/29/29/409842929.db2.gz QYERVGZDDYOCIA-UHFFFAOYSA-N 1 1 185.311 1.879 20 0 ADADMO CCCC[N@@H+](CC)CCC(=O)NC 379402007 409843053 /nfs/dbraw/zinc/84/30/53/409843053.db2.gz MAVBABIHYRYSKJ-UHFFFAOYSA-N 1 1 186.299 1.245 20 0 ADADMO CCC[C@H](C)[N@@H+](C)CC(=O)NCC 379407706 409843415 /nfs/dbraw/zinc/84/34/15/409843415.db2.gz ZHSUFBJPPZFMIR-VIFPVBQESA-N 1 1 186.299 1.243 20 0 ADADMO CC(C)CC[N@@H+]1C[C@@H]2[C@@H](CO)[C@@H]2C1 379397256 409843546 /nfs/dbraw/zinc/84/35/46/409843546.db2.gz MQUOHFVDJKHOJF-URLYPYJESA-N 1 1 183.295 1.203 20 0 ADADMO CCC[C@@H](C)[N@@H+](C)CC(=O)NCC 379407705 409843645 /nfs/dbraw/zinc/84/36/45/409843645.db2.gz ZHSUFBJPPZFMIR-SECBINFHSA-N 1 1 186.299 1.243 20 0 ADADMO CC(C)[C@@H](C)[N@@H+](C)C[C@H]1CCOC1 379407853 409843844 /nfs/dbraw/zinc/84/38/44/409843844.db2.gz ZSQHMSHFSVKEQS-GHMZBOCLSA-N 1 1 185.311 1.999 20 0 ADADMO CC(C)CCC[N@H+]1CCO[C@@H]2C[C@@H]21 379397237 409843897 /nfs/dbraw/zinc/84/38/97/409843897.db2.gz MIDLQIPFXHBOOF-WDEREUQCSA-N 1 1 183.295 1.896 20 0 ADADMO CC(C)[C@H](C)[N@@H+](C)C[C@H]1CCOC1 379407856 409843918 /nfs/dbraw/zinc/84/39/18/409843918.db2.gz ZSQHMSHFSVKEQS-WDEREUQCSA-N 1 1 185.311 1.999 20 0 ADADMO CCCCC[N@H+]1CCN[C@@H](C)[C@H]1C 379444661 409845476 /nfs/dbraw/zinc/84/54/76/409845476.db2.gz CDYJJUNYXJGPNE-WDEREUQCSA-N 1 1 184.327 1.859 20 0 ADADMO CCCCCN1CC[NH2+][C@@H](C)[C@H]1C 379444661 409845482 /nfs/dbraw/zinc/84/54/82/409845482.db2.gz CDYJJUNYXJGPNE-WDEREUQCSA-N 1 1 184.327 1.859 20 0 ADADMO CCCCC[N@H+]1CCN[C@H](C)[C@H]1C 379444657 409845898 /nfs/dbraw/zinc/84/58/98/409845898.db2.gz CDYJJUNYXJGPNE-GHMZBOCLSA-N 1 1 184.327 1.859 20 0 ADADMO CCCCCN1CC[NH2+][C@H](C)[C@H]1C 379444657 409845905 /nfs/dbraw/zinc/84/59/05/409845905.db2.gz CDYJJUNYXJGPNE-GHMZBOCLSA-N 1 1 184.327 1.859 20 0 ADADMO C1=C(c2ccc3nc[nH]c3c2)CC[NH2+]C1 665175554 409846157 /nfs/dbraw/zinc/84/61/57/409846157.db2.gz XLVCLYKTGHFCOZ-UHFFFAOYSA-N 1 1 199.257 1.940 20 0 ADADMO CC[N@@H+](Cc1ccncc1)[C@H](C)CO 379487967 409846198 /nfs/dbraw/zinc/84/61/98/409846198.db2.gz LQXJVWBMUZLUPD-SNVBAGLBSA-N 1 1 194.278 1.284 20 0 ADADMO CC(C)[C@@H](C)[N@@H+](C)CC(=O)N(C)C 379415475 409846305 /nfs/dbraw/zinc/84/63/05/409846305.db2.gz QABZGDWHQAZJNX-SECBINFHSA-N 1 1 186.299 1.051 20 0 ADADMO CC(C)[C@H](C)[N@@H+](C)CC(=O)N(C)C 379415476 409846477 /nfs/dbraw/zinc/84/64/77/409846477.db2.gz QABZGDWHQAZJNX-VIFPVBQESA-N 1 1 186.299 1.051 20 0 ADADMO CCCC[N@H+](CC(N)=O)CC(C)C 379413824 409846532 /nfs/dbraw/zinc/84/65/32/409846532.db2.gz MQAZESRBJRBJDQ-UHFFFAOYSA-N 1 1 186.299 1.230 20 0 ADADMO [NH3+]Cc1noc(C(C2CC2)C2CC2)n1 379486577 409846564 /nfs/dbraw/zinc/84/65/64/409846564.db2.gz JGHSOYAXHKZNGF-UHFFFAOYSA-N 1 1 193.250 1.432 20 0 ADADMO CC[N@@H+](Cc1ccncc1)[C@@H](C)CO 379487964 409846735 /nfs/dbraw/zinc/84/67/35/409846735.db2.gz LQXJVWBMUZLUPD-JTQLQIEISA-N 1 1 194.278 1.284 20 0 ADADMO COC1([C@H](C)[NH2+]CC(F)F)CCC1 665218043 409848785 /nfs/dbraw/zinc/84/87/85/409848785.db2.gz KLXFSMVNCIQISH-ZETCQYMHSA-N 1 1 193.237 1.799 20 0 ADADMO C[C@@H](N)C[N@H+](C1CCCC1)C1CC1 379569547 409849420 /nfs/dbraw/zinc/84/94/20/409849420.db2.gz BBCGWBVNRHETLW-SECBINFHSA-N 1 1 182.311 1.741 20 0 ADADMO C[C@@H]([NH3+])CN(C1CCCC1)C1CC1 379569547 409849426 /nfs/dbraw/zinc/84/94/26/409849426.db2.gz BBCGWBVNRHETLW-SECBINFHSA-N 1 1 182.311 1.741 20 0 ADADMO COC1([C@@H](C)[NH2+]CC(F)F)CCC1 665218042 409849769 /nfs/dbraw/zinc/84/97/69/409849769.db2.gz KLXFSMVNCIQISH-SSDOTTSWSA-N 1 1 193.237 1.799 20 0 ADADMO Cc1ncccc1C[N@H+](C)C[C@@H](C)O 379527718 409849863 /nfs/dbraw/zinc/84/98/63/409849863.db2.gz HGIQHZDLTBWSJO-SECBINFHSA-N 1 1 194.278 1.203 20 0 ADADMO C[C@H](N)C[N@H+](C1CCCC1)C1CC1 379569553 409850603 /nfs/dbraw/zinc/85/06/03/409850603.db2.gz BBCGWBVNRHETLW-VIFPVBQESA-N 1 1 182.311 1.741 20 0 ADADMO C[C@H]([NH3+])CN(C1CCCC1)C1CC1 379569553 409850613 /nfs/dbraw/zinc/85/06/13/409850613.db2.gz BBCGWBVNRHETLW-VIFPVBQESA-N 1 1 182.311 1.741 20 0 ADADMO C[C@H](CO)C[N@H+]1CC(C)(C)C[C@H]1C 665221934 409851601 /nfs/dbraw/zinc/85/16/01/409851601.db2.gz VVSGTGOILFFNFI-VHSXEESVSA-N 1 1 185.311 1.735 20 0 ADADMO C[C@@H](CO)C[N@H+]1CC(C)(C)C[C@H]1C 665221932 409852094 /nfs/dbraw/zinc/85/20/94/409852094.db2.gz VVSGTGOILFFNFI-NXEZZACHSA-N 1 1 185.311 1.735 20 0 ADADMO C[C@H]1CC(C)(C)C[N@H+]1CCCCO 665221171 409852828 /nfs/dbraw/zinc/85/28/28/409852828.db2.gz ATVAHGBETNVJEW-JTQLQIEISA-N 1 1 185.311 1.879 20 0 ADADMO C[C@H](CO)C[N@H+]1CC(C)(C)C[C@@H]1C 665221933 409854324 /nfs/dbraw/zinc/85/43/24/409854324.db2.gz VVSGTGOILFFNFI-UWVGGRQHSA-N 1 1 185.311 1.735 20 0 ADADMO C[C@@H]1CC(C)(C)C[N@H+]1CCCCO 665221172 409854505 /nfs/dbraw/zinc/85/45/05/409854505.db2.gz ATVAHGBETNVJEW-SNVBAGLBSA-N 1 1 185.311 1.879 20 0 ADADMO C[C@H]1CC(C)(C)C[N@@H+]1C[C@@H](C)CO 665221935 409854561 /nfs/dbraw/zinc/85/45/61/409854561.db2.gz VVSGTGOILFFNFI-ZJUUUORDSA-N 1 1 185.311 1.735 20 0 ADADMO CCC[C@H](C)Cc1nc(C[NH3+])no1 379618271 409855386 /nfs/dbraw/zinc/85/53/86/409855386.db2.gz BEHGWRIOWPEHGL-ZETCQYMHSA-N 1 1 183.255 1.507 20 0 ADADMO CC[C@H](N[C@H]1CC[NH2+]C1)[C@@H]1C[C@@H]1C 665241175 409855616 /nfs/dbraw/zinc/85/56/16/409855616.db2.gz BZXSCLKBILBAMV-MMWGEVLESA-N 1 1 182.311 1.373 20 0 ADADMO C[C@@H]1CC[C@@H](C)[C@H](N[C@H]2CC[NH2+]C2)C1 665241392 409855763 /nfs/dbraw/zinc/85/57/63/409855763.db2.gz LDKFMZSMZMDPKM-WISYIIOYSA-N 1 1 196.338 1.763 20 0 ADADMO CC[C@H](N[C@H]1CC[NH2+]C1)[C@H]1C[C@H]1C 665241177 409855820 /nfs/dbraw/zinc/85/58/20/409855820.db2.gz BZXSCLKBILBAMV-RCWTZXSCSA-N 1 1 182.311 1.373 20 0 ADADMO C[C@@H](CNCc1cc[nH]c1)C[NH+](C)C 379617554 409855998 /nfs/dbraw/zinc/85/59/98/409855998.db2.gz ALONAADFHJXVKI-JTQLQIEISA-N 1 1 195.310 1.302 20 0 ADADMO CCC[C@@H](C)Cc1nc(C[NH3+])no1 379618270 409856203 /nfs/dbraw/zinc/85/62/03/409856203.db2.gz BEHGWRIOWPEHGL-SSDOTTSWSA-N 1 1 183.255 1.507 20 0 ADADMO C[C@H]1CC(C)(C)C[C@@H]1N[C@H]1CC[NH2+]C1 665241925 409856361 /nfs/dbraw/zinc/85/63/61/409856361.db2.gz DWRRSINAUNLYEV-DCAQKATOSA-N 1 1 196.338 1.763 20 0 ADADMO C[N@@H+](CC(C)(C)C[NH3+])CC1(C)CC1 379612669 409857142 /nfs/dbraw/zinc/85/71/42/409857142.db2.gz VWIMCJWQTAHLEF-UHFFFAOYSA-N 1 1 184.327 1.703 20 0 ADADMO C[N@H+](CC(C)(C)CN)CC1(C)CC1 379612669 409857149 /nfs/dbraw/zinc/85/71/49/409857149.db2.gz VWIMCJWQTAHLEF-UHFFFAOYSA-N 1 1 184.327 1.703 20 0 ADADMO C[N@@H+](CC(C)(C)CN)CC1(C)CC1 379612669 409857154 /nfs/dbraw/zinc/85/71/54/409857154.db2.gz VWIMCJWQTAHLEF-UHFFFAOYSA-N 1 1 184.327 1.703 20 0 ADADMO CC[C@H](N[C@H]1CC[NH2+]C1)[C@H]1C[C@@H]1C 665241176 409857454 /nfs/dbraw/zinc/85/74/54/409857454.db2.gz BZXSCLKBILBAMV-NAKRPEOUSA-N 1 1 182.311 1.373 20 0 ADADMO C[C@H](CNCc1cc[nH]c1)C[NH+](C)C 379617555 409857469 /nfs/dbraw/zinc/85/74/69/409857469.db2.gz ALONAADFHJXVKI-SNVBAGLBSA-N 1 1 195.310 1.302 20 0 ADADMO C[C@@H]1CC[C@@H](C)[C@@H](N[C@H]2CC[NH2+]C2)C1 665241393 409857476 /nfs/dbraw/zinc/85/74/76/409857476.db2.gz LDKFMZSMZMDPKM-WYUUTHIRSA-N 1 1 196.338 1.763 20 0 ADADMO CC[C@H]1CCCC[C@H]1N[C@H]1CC[NH2+]C1 665242459 409857812 /nfs/dbraw/zinc/85/78/12/409857812.db2.gz YUJIHQASICKFNZ-SDDRHHMPSA-N 1 1 196.338 1.907 20 0 ADADMO CC[C@H](N[C@H]1CC[NH2+]C1)[C@@H]1C[C@H]1C 665241178 409857973 /nfs/dbraw/zinc/85/79/73/409857973.db2.gz BZXSCLKBILBAMV-YTWAJWBKSA-N 1 1 182.311 1.373 20 0 ADADMO C[C@H]1CC(C)(C)C[C@H]1N[C@H]1CC[NH2+]C1 665241926 409858054 /nfs/dbraw/zinc/85/80/54/409858054.db2.gz DWRRSINAUNLYEV-GARJFASQSA-N 1 1 196.338 1.763 20 0 ADADMO C[C@H]1CCC[C@H](C)C1N[C@H]1CC[NH2+]C1 665243342 409858772 /nfs/dbraw/zinc/85/87/72/409858772.db2.gz ADKQBMLIUZXIEI-DCAQKATOSA-N 1 1 196.338 1.763 20 0 ADADMO CC[C@H]1CCCC[C@@H]1N[C@H]1CC[NH2+]C1 665242460 409858804 /nfs/dbraw/zinc/85/88/04/409858804.db2.gz YUJIHQASICKFNZ-SRVKXCTJSA-N 1 1 196.338 1.907 20 0 ADADMO C[C@H](N)C[N@H+](C1CC1)[C@@H](C)C1CC1 379621156 409858971 /nfs/dbraw/zinc/85/89/71/409858971.db2.gz FMEZLCTYEFWJSN-IUCAKERBSA-N 1 1 182.311 1.597 20 0 ADADMO C[C@H]([NH3+])CN(C1CC1)[C@@H](C)C1CC1 379621156 409858977 /nfs/dbraw/zinc/85/89/77/409858977.db2.gz FMEZLCTYEFWJSN-IUCAKERBSA-N 1 1 182.311 1.597 20 0 ADADMO Cc1cnc(C[NH2+]CCC[C@H](C)O)o1 379638823 409859042 /nfs/dbraw/zinc/85/90/42/409859042.db2.gz SSLQPLLIONGXSO-QMMMGPOBSA-N 1 1 198.266 1.234 20 0 ADADMO C[C@@H](N)C[N@H+](C1CC1)[C@H](C)C1CC1 379621157 409859253 /nfs/dbraw/zinc/85/92/53/409859253.db2.gz FMEZLCTYEFWJSN-RKDXNWHRSA-N 1 1 182.311 1.597 20 0 ADADMO C[C@@H]([NH3+])CN(C1CC1)[C@H](C)C1CC1 379621157 409859257 /nfs/dbraw/zinc/85/92/57/409859257.db2.gz FMEZLCTYEFWJSN-RKDXNWHRSA-N 1 1 182.311 1.597 20 0 ADADMO C[C@@H](C[NH3+])CN[C@@H](C)c1cccnc1 379624954 409859369 /nfs/dbraw/zinc/85/93/69/409859369.db2.gz JGYGXJZWULFDMR-UWVGGRQHSA-N 1 1 193.294 1.327 20 0 ADADMO CC[C@@H](C)[C@@H](C)N[C@H]1CC[NH2+]C1 665244595 409859468 /nfs/dbraw/zinc/85/94/68/409859468.db2.gz RLTXLWDDLHLQPY-BBBLOLIVSA-N 1 1 170.300 1.373 20 0 ADADMO N[C@H]1CCC[C@@H]1[NH2+]CCc1ccoc1 665263324 409859491 /nfs/dbraw/zinc/85/94/91/409859491.db2.gz KIOLHIRJWVQGSH-QWRGUYRKSA-N 1 1 194.278 1.292 20 0 ADADMO [NH3+][C@H]1CCC[C@@H]1NCCc1ccoc1 665263324 409859493 /nfs/dbraw/zinc/85/94/93/409859493.db2.gz KIOLHIRJWVQGSH-QWRGUYRKSA-N 1 1 194.278 1.292 20 0 ADADMO CC(C)(F)CC[NH2+][C@@H]1CCC[C@@H]1N 665261940 409859858 /nfs/dbraw/zinc/85/98/58/409859858.db2.gz OYVOSRAOKJYVRK-DTWKUNHWSA-N 1 1 188.290 1.594 20 0 ADADMO CC[C@H]1CCC[C@H]1N[C@H]1CC[NH2+]C1 665243813 409859997 /nfs/dbraw/zinc/85/99/97/409859997.db2.gz YVKVSFLSKAOSQU-GARJFASQSA-N 1 1 182.311 1.517 20 0 ADADMO C[C@H](NC[C@H](C)C[NH3+])c1cccnc1 379624955 409860262 /nfs/dbraw/zinc/86/02/62/409860262.db2.gz JGYGXJZWULFDMR-ZJUUUORDSA-N 1 1 193.294 1.327 20 0 ADADMO N[C@H]1CCC[C@H]1[NH2+]CCc1ccoc1 665263325 409860397 /nfs/dbraw/zinc/86/03/97/409860397.db2.gz KIOLHIRJWVQGSH-WDEREUQCSA-N 1 1 194.278 1.292 20 0 ADADMO [NH3+][C@H]1CCC[C@H]1NCCc1ccoc1 665263325 409860403 /nfs/dbraw/zinc/86/04/03/409860403.db2.gz KIOLHIRJWVQGSH-WDEREUQCSA-N 1 1 194.278 1.292 20 0 ADADMO C[C@H](N)C[N@H+](C1CC1)[C@H](C)C1CC1 379621155 409860466 /nfs/dbraw/zinc/86/04/66/409860466.db2.gz FMEZLCTYEFWJSN-DTWKUNHWSA-N 1 1 182.311 1.597 20 0 ADADMO C[C@H]([NH3+])CN(C1CC1)[C@H](C)C1CC1 379621155 409860472 /nfs/dbraw/zinc/86/04/72/409860472.db2.gz FMEZLCTYEFWJSN-DTWKUNHWSA-N 1 1 182.311 1.597 20 0 ADADMO [NH3+]Cc1noc(CCC2CCC2)n1 379621366 409860496 /nfs/dbraw/zinc/86/04/96/409860496.db2.gz FTBLWGNKDJDUAF-UHFFFAOYSA-N 1 1 181.239 1.261 20 0 ADADMO CC[C@H]1CCC[C@@H]1N[C@H]1CC[NH2+]C1 665243812 409860897 /nfs/dbraw/zinc/86/08/97/409860897.db2.gz YVKVSFLSKAOSQU-DCAQKATOSA-N 1 1 182.311 1.517 20 0 ADADMO Cc1cnc(C[NH2+]CCC[C@@H](C)O)o1 379638822 409861170 /nfs/dbraw/zinc/86/11/70/409861170.db2.gz SSLQPLLIONGXSO-MRVPVSSYSA-N 1 1 198.266 1.234 20 0 ADADMO C[C@@H](C1CC1)[N@H+](C[C@@H](C)N)C1CC1 379621154 409861257 /nfs/dbraw/zinc/86/12/57/409861257.db2.gz FMEZLCTYEFWJSN-BDAKNGLRSA-N 1 1 182.311 1.597 20 0 ADADMO C[C@@H](C1CC1)N(C[C@@H](C)[NH3+])C1CC1 379621154 409861260 /nfs/dbraw/zinc/86/12/60/409861260.db2.gz FMEZLCTYEFWJSN-BDAKNGLRSA-N 1 1 182.311 1.597 20 0 ADADMO CC(C)[C@@H](C)[NH2+]CC1(N)CCCC1 665250101 409861523 /nfs/dbraw/zinc/86/15/23/409861523.db2.gz ICPXYLINPMKKQA-SNVBAGLBSA-N 1 1 184.327 1.892 20 0 ADADMO N[C@@H]1CCC[C@H]1[NH2+]CCc1ccoc1 665263322 409861860 /nfs/dbraw/zinc/86/18/60/409861860.db2.gz KIOLHIRJWVQGSH-GHMZBOCLSA-N 1 1 194.278 1.292 20 0 ADADMO [NH3+][C@@H]1CCC[C@H]1NCCc1ccoc1 665263322 409861862 /nfs/dbraw/zinc/86/18/62/409861862.db2.gz KIOLHIRJWVQGSH-GHMZBOCLSA-N 1 1 194.278 1.292 20 0 ADADMO CC(C)(F)CC[NH2+][C@@H]1CCC[C@H]1N 665261942 409861921 /nfs/dbraw/zinc/86/19/21/409861921.db2.gz OYVOSRAOKJYVRK-RKDXNWHRSA-N 1 1 188.290 1.594 20 0 ADADMO CC[C@@H](C)[C@H](C)N[C@H]1CC[NH2+]C1 665244596 409862109 /nfs/dbraw/zinc/86/21/09/409862109.db2.gz RLTXLWDDLHLQPY-UTLUCORTSA-N 1 1 170.300 1.373 20 0 ADADMO CC(C)(F)CC[NH2+][C@H]1CCC[C@H]1N 665261939 409862194 /nfs/dbraw/zinc/86/21/94/409862194.db2.gz OYVOSRAOKJYVRK-BDAKNGLRSA-N 1 1 188.290 1.594 20 0 ADADMO C[NH2+]C[C@@H]1CCCN1C[C@@H]1C[C@@H]1C 379646684 409862548 /nfs/dbraw/zinc/86/25/48/409862548.db2.gz YSMUAINLUORNAQ-DCAQKATOSA-N 1 1 182.311 1.326 20 0 ADADMO CC(C)(F)CC[NH2+][C@H]1CCC[C@@H]1N 665261941 409862552 /nfs/dbraw/zinc/86/25/52/409862552.db2.gz OYVOSRAOKJYVRK-IUCAKERBSA-N 1 1 188.290 1.594 20 0 ADADMO N[C@@H]1CCC[C@@H]1[NH2+]CCc1ccoc1 665263323 409862618 /nfs/dbraw/zinc/86/26/18/409862618.db2.gz KIOLHIRJWVQGSH-MNOVXSKESA-N 1 1 194.278 1.292 20 0 ADADMO [NH3+][C@@H]1CCC[C@@H]1NCCc1ccoc1 665263323 409862630 /nfs/dbraw/zinc/86/26/30/409862630.db2.gz KIOLHIRJWVQGSH-MNOVXSKESA-N 1 1 194.278 1.292 20 0 ADADMO CC(C)[C@H](C)[NH2+]CC1(N)CCCC1 665250100 409862942 /nfs/dbraw/zinc/86/29/42/409862942.db2.gz ICPXYLINPMKKQA-JTQLQIEISA-N 1 1 184.327 1.892 20 0 ADADMO C[NH2+]C[C@@H]1CCCN1C[C@H]1C[C@@H]1C 379646682 409863268 /nfs/dbraw/zinc/86/32/68/409863268.db2.gz YSMUAINLUORNAQ-AXFHLTTASA-N 1 1 182.311 1.326 20 0 ADADMO CCC(CC)Cc1nc(C[NH3+])no1 379657271 409863364 /nfs/dbraw/zinc/86/33/64/409863364.db2.gz MIPMXNVNHIKMLU-UHFFFAOYSA-N 1 1 183.255 1.507 20 0 ADADMO C[C@H]1CCNC[C@@H]1[NH2+]CC1=CCCC1 665274282 409864518 /nfs/dbraw/zinc/86/45/18/409864518.db2.gz MWEXITJFIGZXBN-JQWIXIFHSA-N 1 1 194.322 1.684 20 0 ADADMO C[NH2+]C[C@@H]1CCCN1C[C@H]1C[C@H]1C 379646691 409864527 /nfs/dbraw/zinc/86/45/27/409864527.db2.gz YSMUAINLUORNAQ-MXWKQRLJSA-N 1 1 182.311 1.326 20 0 ADADMO [NH3+][C@H]1CCC[C@@H]1NCC1=CCCC1 665273755 409864747 /nfs/dbraw/zinc/86/47/47/409864747.db2.gz CXXBGDDSSBKQJH-QWRGUYRKSA-N 1 1 180.295 1.566 20 0 ADADMO CC(C)n1nccc1C[NH2+][C@@H](C)CF 379645435 409864619 /nfs/dbraw/zinc/86/46/19/409864619.db2.gz XUNBFUIQAUYQFY-VIFPVBQESA-N 1 1 199.273 1.912 20 0 ADADMO C[C@@H]1[C@H](CO)CCC[N@H+]1CCC1CC1 665269089 409864632 /nfs/dbraw/zinc/86/46/32/409864632.db2.gz NFRINKMGMANXPG-PWSUYJOCSA-N 1 1 197.322 1.879 20 0 ADADMO C[C@H]1[C@@H](CO)CCC[N@H+]1CCC1CC1 665269087 409864674 /nfs/dbraw/zinc/86/46/74/409864674.db2.gz NFRINKMGMANXPG-CMPLNLGQSA-N 1 1 197.322 1.879 20 0 ADADMO N[C@H]1CCC[C@@H]1[NH2+]CC1=CCCC1 665273755 409864736 /nfs/dbraw/zinc/86/47/36/409864736.db2.gz CXXBGDDSSBKQJH-QWRGUYRKSA-N 1 1 180.295 1.566 20 0 ADADMO C[NH2+]C[C@@H]1CCCN1C[C@@H]1C[C@H]1C 379646695 409864889 /nfs/dbraw/zinc/86/48/89/409864889.db2.gz YSMUAINLUORNAQ-VWYCJHECSA-N 1 1 182.311 1.326 20 0 ADADMO C[C@@H]1[C@@H](CO)CCC[N@H+]1CCC1CC1 665269090 409865062 /nfs/dbraw/zinc/86/50/62/409865062.db2.gz NFRINKMGMANXPG-ZYHUDNBSSA-N 1 1 197.322 1.879 20 0 ADADMO CCCC[N@H+]1CCC[C@H](CO)[C@H]1C 665269103 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1 180.295 1.566 20 0 ADADMO [NH3+][C@@H]1CCC[C@H]1NCC1=CCCC1 665273753 409866175 /nfs/dbraw/zinc/86/61/75/409866175.db2.gz CXXBGDDSSBKQJH-GHMZBOCLSA-N 1 1 180.295 1.566 20 0 ADADMO C[C@@H]1CCNC[C@H]1[NH2+]CC1=CCCC1 665274284 409866295 /nfs/dbraw/zinc/86/62/95/409866295.db2.gz MWEXITJFIGZXBN-ZYHUDNBSSA-N 1 1 194.322 1.684 20 0 ADADMO C[C@H]1CCNC[C@H]1[NH2+]CC1=CCCC1 665274281 409866409 /nfs/dbraw/zinc/86/64/09/409866409.db2.gz MWEXITJFIGZXBN-CMPLNLGQSA-N 1 1 194.322 1.684 20 0 ADADMO CCCC[N@H+]1CCC[C@@H](CO)[C@H]1C 665269104 409866495 /nfs/dbraw/zinc/86/64/95/409866495.db2.gz SPMCZEKAYFJIFW-MNOVXSKESA-N 1 1 185.311 1.879 20 0 ADADMO CCC1([NH2+]Cc2csnn2)CC1 379735263 409866510 /nfs/dbraw/zinc/86/65/10/409866510.db2.gz FPPJIDZZVLXHQZ-UHFFFAOYSA-N 1 1 183.280 1.570 20 0 ADADMO CCC1([NH2+]Cc2cn[nH]c2C)CC1 379720140 409866637 /nfs/dbraw/zinc/86/66/37/409866637.db2.gz ZBDFPMBIRMYRGP-UHFFFAOYSA-N 1 1 179.267 1.750 20 0 ADADMO C[C@H]1[C@H](CO)CCC[N@H+]1CCC1CC1 665269088 409867088 /nfs/dbraw/zinc/86/70/88/409867088.db2.gz NFRINKMGMANXPG-JQWIXIFHSA-N 1 1 197.322 1.879 20 0 ADADMO CCCC[N@H+]1CCC[C@H](CO)[C@@H]1C 665269106 409867043 /nfs/dbraw/zinc/86/70/43/409867043.db2.gz SPMCZEKAYFJIFW-WDEREUQCSA-N 1 1 185.311 1.879 20 0 ADADMO C[C@@H]1CCNC[C@@H]1[NH2+]CC1=CCCC1 665274283 409867068 /nfs/dbraw/zinc/86/70/68/409867068.db2.gz MWEXITJFIGZXBN-PWSUYJOCSA-N 1 1 194.322 1.684 20 0 ADADMO CCC1([NH2+]Cc2ccn[nH]2)CC1 379740901 409867857 /nfs/dbraw/zinc/86/78/57/409867857.db2.gz LOHXIWQDYDWIGB-UHFFFAOYSA-N 1 1 165.240 1.442 20 0 ADADMO C[C@H](O)C[N@H+]1CC[C@H](C2CCC2)C1 665290047 409867804 /nfs/dbraw/zinc/86/78/04/409867804.db2.gz HDIHLPBTNXIKPV-ONGXEEELSA-N 1 1 183.295 1.489 20 0 ADADMO CC[C@@H](O)C[N@H+]1CC[C@@H](C2CCC2)C1 665286066 409867833 /nfs/dbraw/zinc/86/78/33/409867833.db2.gz DHZNNKRLZYXTRT-VXGBXAGGSA-N 1 1 197.322 1.879 20 0 ADADMO CC[C@H](O)C[N@H+]1CC[C@H](C2CCC2)C1 665286065 409867921 /nfs/dbraw/zinc/86/79/21/409867921.db2.gz DHZNNKRLZYXTRT-RYUDHWBXSA-N 1 1 197.322 1.879 20 0 ADADMO C[C@@H](O)CC[N@H+]1CC[C@@H](C2CCC2)C1 665290437 409867994 /nfs/dbraw/zinc/86/79/94/409867994.db2.gz ZMCMJFYTSXCREI-ZYHUDNBSSA-N 1 1 197.322 1.879 20 0 ADADMO C[C@H](O)CC[N@H+]1CC[C@@H](C2CCC2)C1 665290434 409867938 /nfs/dbraw/zinc/86/79/38/409867938.db2.gz ZMCMJFYTSXCREI-CMPLNLGQSA-N 1 1 197.322 1.879 20 0 ADADMO CC(C)C1([NH2+]Cc2csnn2)CC1 379736825 409867941 /nfs/dbraw/zinc/86/79/41/409867941.db2.gz PGALERINADKYRF-UHFFFAOYSA-N 1 1 197.307 1.816 20 0 ADADMO COCC[N@H+]1CC[C@H](C2CCC2)C1 665284549 409868025 /nfs/dbraw/zinc/86/80/25/409868025.db2.gz NONLJCDPVNSILT-NSHDSACASA-N 1 1 183.295 1.755 20 0 ADADMO OCCCC[N@H+]1CC[C@@H](C2CCC2)C1 665286951 409868171 /nfs/dbraw/zinc/86/81/71/409868171.db2.gz YKWFWIRCEHTENR-GFCCVEGCSA-N 1 1 197.322 1.881 20 0 ADADMO C[C@H](CO)C[N@H+]1CC[C@@H](C2CCC2)C1 665288787 409869479 /nfs/dbraw/zinc/86/94/79/409869479.db2.gz YAPFGJXFDKJIBS-CMPLNLGQSA-N 1 1 197.322 1.737 20 0 ADADMO C[C@H](O)CC[N@H+]1CC[C@H](C2CCC2)C1 665290435 409869522 /nfs/dbraw/zinc/86/95/22/409869522.db2.gz ZMCMJFYTSXCREI-JQWIXIFHSA-N 1 1 197.322 1.879 20 0 ADADMO CC[C@@H](O)C[N@H+]1CC[C@H](C2CCC2)C1 665286064 409869660 /nfs/dbraw/zinc/86/96/60/409869660.db2.gz DHZNNKRLZYXTRT-NWDGAFQWSA-N 1 1 197.322 1.879 20 0 ADADMO C[C@@H](CO)C[N@H+]1CC[C@H](C2CCC2)C1 665288789 409870069 /nfs/dbraw/zinc/87/00/69/409870069.db2.gz YAPFGJXFDKJIBS-PWSUYJOCSA-N 1 1 197.322 1.737 20 0 ADADMO C[C@@H](O)C[N@H+]1CC[C@H](C2CCC2)C1 665290045 409870146 /nfs/dbraw/zinc/87/01/46/409870146.db2.gz HDIHLPBTNXIKPV-KOLCDFICSA-N 1 1 183.295 1.489 20 0 ADADMO C[C@@H](O)CC[N@H+]1CC[C@H](C2CCC2)C1 665290436 409870317 /nfs/dbraw/zinc/87/03/17/409870317.db2.gz ZMCMJFYTSXCREI-PWSUYJOCSA-N 1 1 197.322 1.879 20 0 ADADMO C[C@@H](O)C[N@H+]1CC[C@@H](C2CCC2)C1 665290046 409870458 /nfs/dbraw/zinc/87/04/58/409870458.db2.gz HDIHLPBTNXIKPV-MWLCHTKSSA-N 1 1 183.295 1.489 20 0 ADADMO C[C@@H](CO)C[N@H+]1CC[C@@H](C2CCC2)C1 665288790 409870717 /nfs/dbraw/zinc/87/07/17/409870717.db2.gz YAPFGJXFDKJIBS-ZYHUDNBSSA-N 1 1 197.322 1.737 20 0 ADADMO CC[C@H](O)C[N@H+]1CC[C@@H](C2CCC2)C1 665286063 409870741 /nfs/dbraw/zinc/87/07/41/409870741.db2.gz DHZNNKRLZYXTRT-NEPJUHHUSA-N 1 1 197.322 1.879 20 0 ADADMO OCCCC[N@H+]1CC[C@H](C2CCC2)C1 665286952 409870790 /nfs/dbraw/zinc/87/07/90/409870790.db2.gz YKWFWIRCEHTENR-LBPRGKRZSA-N 1 1 197.322 1.881 20 0 ADADMO COCC[N@H+]1CC[C@@H](C2CCC2)C1 665284548 409870897 /nfs/dbraw/zinc/87/08/97/409870897.db2.gz NONLJCDPVNSILT-LLVKDONJSA-N 1 1 183.295 1.755 20 0 ADADMO C[C@H](CO)C[N@H+]1CC[C@H](C2CCC2)C1 665288788 409870936 /nfs/dbraw/zinc/87/09/36/409870936.db2.gz YAPFGJXFDKJIBS-JQWIXIFHSA-N 1 1 197.322 1.737 20 0 ADADMO OCCC[N@H+]1CC[C@H](C2CCC2)C1 665284391 409870950 /nfs/dbraw/zinc/87/09/50/409870950.db2.gz JSLQXJYTTBRYSK-NSHDSACASA-N 1 1 183.295 1.491 20 0 ADADMO OCCC[N@H+]1CC[C@@H](C2CCC2)C1 665284390 409870991 /nfs/dbraw/zinc/87/09/91/409870991.db2.gz JSLQXJYTTBRYSK-LLVKDONJSA-N 1 1 183.295 1.491 20 0 ADADMO C[C@H](O)C[N@H+]1CC[C@@H](C2CCC2)C1 665290044 409871002 /nfs/dbraw/zinc/87/10/02/409871002.db2.gz HDIHLPBTNXIKPV-GXSJLCMTSA-N 1 1 183.295 1.489 20 0 ADADMO CNC[C@H](C)[NH2+][C@H](C1CCC1)C1CC1 665297835 409871369 /nfs/dbraw/zinc/87/13/69/409871369.db2.gz MSXVVCABNLNLCL-JOYOIKCWSA-N 1 1 196.338 1.763 20 0 ADADMO CNC[C@H](C)[NH2+][C@H]1CCCC12CCC2 665297802 409871452 /nfs/dbraw/zinc/87/14/52/409871452.db2.gz LXICSVDHNLIGFC-QWRGUYRKSA-N 1 1 196.338 1.907 20 0 ADADMO CNC[C@@H](C)[NH2+][C@H]1CCCC12CCC2 665297801 409871469 /nfs/dbraw/zinc/87/14/69/409871469.db2.gz LXICSVDHNLIGFC-MNOVXSKESA-N 1 1 196.338 1.907 20 0 ADADMO CNC[C@@H](C)[NH2+][C@H](C1CCC1)C1CC1 665297833 409871514 /nfs/dbraw/zinc/87/15/14/409871514.db2.gz MSXVVCABNLNLCL-BXKDBHETSA-N 1 1 196.338 1.763 20 0 ADADMO CNC[C@H](C)[NH2+][C@H](C)C1CCCC1 665296331 409871570 /nfs/dbraw/zinc/87/15/70/409871570.db2.gz QYEPXHOTPZEPRL-VHSXEESVSA-N 1 1 184.327 1.763 20 0 ADADMO CNC[C@@H](C)[NH2+][C@H](C)C1CCCC1 665296329 409871946 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QYEPXHOTPZEPRL-UWVGGRQHSA-N 1 1 184.327 1.763 20 0 ADADMO C[NH2+]C[C@H](C)N[C@H]1CCC1(C)C 665298167 409874968 /nfs/dbraw/zinc/87/49/68/409874968.db2.gz SWKJJXTUDULYIJ-IUCAKERBSA-N 1 1 170.300 1.373 20 0 ADADMO CNC[C@H](C)[NH2+][C@H]1CC[C@H]1C1CCC1 665298060 409875206 /nfs/dbraw/zinc/87/52/06/409875206.db2.gz RAOYECOQADLDOD-DLOVCJGASA-N 1 1 196.338 1.763 20 0 ADADMO CNC[C@H](C)[NH2+][C@@H]1CC[C@H]1C1CCC1 665298063 409875356 /nfs/dbraw/zinc/87/53/56/409875356.db2.gz RAOYECOQADLDOD-ZMLRMANQSA-N 1 1 196.338 1.763 20 0 ADADMO CNC[C@H](C)[NH2+][C@@H]1CCC12CCC2 665297990 409876472 /nfs/dbraw/zinc/87/64/72/409876472.db2.gz PWOKSMAIGBXLAK-VHSXEESVSA-N 1 1 182.311 1.517 20 0 ADADMO CCC[C@H](O)C[N@H+]1CC[C@@H](C)[C@H]1C 380541983 409878045 /nfs/dbraw/zinc/87/80/45/409878045.db2.gz CZWMCHANFVIMPA-MXWKQRLJSA-N 1 1 185.311 1.878 20 0 ADADMO CNC[C@@H](C)[NH2+][C@@H]1CCC12CCCC2 665298221 409875466 /nfs/dbraw/zinc/87/54/66/409875466.db2.gz UFSZTVAAVUDRGA-GHMZBOCLSA-N 1 1 196.338 1.907 20 0 ADADMO 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/nfs/dbraw/zinc/26/65/92/410266592.db2.gz FRRHBAURLKVBOQ-JTQLQIEISA-N 1 1 171.284 1.491 20 0 ADADMO OCCC[C@H]1CC[N@@H+](CC2CCC2)C1 650352625 410266812 /nfs/dbraw/zinc/26/68/12/410266812.db2.gz FMVBHMLNPLDCEM-LBPRGKRZSA-N 1 1 197.322 1.881 20 0 ADADMO CC(C)[N@H+]1CC[C@H](CCCO)C1 650352590 410267074 /nfs/dbraw/zinc/26/70/74/410267074.db2.gz GIBHCVHHPOUNFC-JTQLQIEISA-N 1 1 171.284 1.489 20 0 ADADMO OCCC[C@@H]1CC[N@@H+](CC2CCC2)C1 650352624 410267284 /nfs/dbraw/zinc/26/72/84/410267284.db2.gz FMVBHMLNPLDCEM-GFCCVEGCSA-N 1 1 197.322 1.881 20 0 ADADMO CC[N@H+]1CC[C@@H](CCCO)C1 650352594 410267464 /nfs/dbraw/zinc/26/74/64/410267464.db2.gz LHZPCBCXCDNWCU-SECBINFHSA-N 1 1 157.257 1.101 20 0 ADADMO CC[N@H+]1CC[C@H](CCCO)C1 650352595 410267482 /nfs/dbraw/zinc/26/74/82/410267482.db2.gz LHZPCBCXCDNWCU-VIFPVBQESA-N 1 1 157.257 1.101 20 0 ADADMO CC(C)[N@H+]1CC[C@@H](CCCO)C1 650352591 410267505 /nfs/dbraw/zinc/26/75/05/410267505.db2.gz GIBHCVHHPOUNFC-SNVBAGLBSA-N 1 1 171.284 1.489 20 0 ADADMO CCCC[N@H+]1CC[C@@H](CCCO)C1 650352611 410267811 /nfs/dbraw/zinc/26/78/11/410267811.db2.gz VVPJPMRPTKTXOT-LLVKDONJSA-N 1 1 185.311 1.881 20 0 ADADMO CCC[N@H+]1CC[C@@H](CCCO)C1 650352589 410267827 /nfs/dbraw/zinc/26/78/27/410267827.db2.gz FRRHBAURLKVBOQ-SNVBAGLBSA-N 1 1 171.284 1.491 20 0 ADADMO CC[C@@H](C)[N@H+]1CC[C@@H](CCCO)C1 650353295 410269293 /nfs/dbraw/zinc/26/92/93/410269293.db2.gz LEOGTHQUTMCVHG-GHMZBOCLSA-N 1 1 185.311 1.879 20 0 ADADMO CC[C@@H](C)[N@H+]1CC[C@H](CCCO)C1 650353296 410269744 /nfs/dbraw/zinc/26/97/44/410269744.db2.gz LEOGTHQUTMCVHG-MNOVXSKESA-N 1 1 185.311 1.879 20 0 ADADMO OCCC[C@H]1CC[N@@H+](CCCF)C1 650352641 410269783 /nfs/dbraw/zinc/26/97/83/410269783.db2.gz OPGODEGSFBPVBM-JTQLQIEISA-N 1 1 189.274 1.440 20 0 ADADMO OCCC[C@H]1CC[N@@H+](CCC2CC2)C1 650352648 410269867 /nfs/dbraw/zinc/26/98/67/410269867.db2.gz WCEJRZRDPQCBEZ-LBPRGKRZSA-N 1 1 197.322 1.881 20 0 ADADMO CC[C@H](C)[N@H+]1CC[C@H](CCCO)C1 650353297 410270046 /nfs/dbraw/zinc/27/00/46/410270046.db2.gz 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CC(C)[N@@H+](C)CC(=O)N[C@@H](C)C1CC1 650773154 410280934 /nfs/dbraw/zinc/28/09/34/410280934.db2.gz QUWBOXJOCQWHHB-VIFPVBQESA-N 1 1 198.310 1.241 20 0 ADADMO CC/C=C\CNC(=O)C[N@H+](C)CCC 650825668 410284367 /nfs/dbraw/zinc/28/43/67/410284367.db2.gz VTGPELMANSQWMY-SREVYHEPSA-N 1 1 198.310 1.411 20 0 ADADMO CC/C=C/CNC(=O)C[N@H+](C)CCC 650825669 410284747 /nfs/dbraw/zinc/28/47/47/410284747.db2.gz VTGPELMANSQWMY-VOTSOKGWSA-N 1 1 198.310 1.411 20 0 ADADMO CC/C=C/CNC(=O)[C@@H]1CCC[N@H+]1C 650825854 410285643 /nfs/dbraw/zinc/28/56/43/410285643.db2.gz AEVLKYBPHUWGAL-YEZKRMTDSA-N 1 1 196.294 1.163 20 0 ADADMO CC/C=C\CNC(=O)[C@@H]1CC[N@@H+](C)C1 650826036 410286132 /nfs/dbraw/zinc/28/61/32/410286132.db2.gz WHGFPPQIDFHZGA-UMCURTJPSA-N 1 1 196.294 1.021 20 0 ADADMO CC/C=C/CNC(=O)[C@H]1CCC[N@H+]1C 650825851 410286317 /nfs/dbraw/zinc/28/63/17/410286317.db2.gz AEVLKYBPHUWGAL-ORAHPGNNSA-N 1 1 196.294 1.163 20 0 ADADMO CC/C=C\CNC(=O)[C@H]1CC[N@@H+](C)C1 650826034 410286367 /nfs/dbraw/zinc/28/63/67/410286367.db2.gz WHGFPPQIDFHZGA-LWTINBJPSA-N 1 1 196.294 1.021 20 0 ADADMO CC/C=C\CNC(=O)[C@H]1CCC[N@H+]1C 650825852 410286799 /nfs/dbraw/zinc/28/67/99/410286799.db2.gz AEVLKYBPHUWGAL-UMCURTJPSA-N 1 1 196.294 1.163 20 0 ADADMO CC/C=C/CNC(=O)[C@H]1CC[N@@H+](C)C1 650826037 410287081 /nfs/dbraw/zinc/28/70/81/410287081.db2.gz WHGFPPQIDFHZGA-YEZKRMTDSA-N 1 1 196.294 1.021 20 0 ADADMO CC/C=C\CNC(=O)C[N@@H+](C)C(C)C 650825845 410287204 /nfs/dbraw/zinc/28/72/04/410287204.db2.gz ACKNZVVZOXWOMS-SREVYHEPSA-N 1 1 198.310 1.409 20 0 ADADMO CC/C=C/CNC(=O)C[N@@H+](C)C(C)C 650825846 410287306 /nfs/dbraw/zinc/28/73/06/410287306.db2.gz ACKNZVVZOXWOMS-VOTSOKGWSA-N 1 1 198.310 1.409 20 0 ADADMO CC/C=C/CNC(=O)[C@@H]1CC[N@@H+](C)C1 650826035 410287531 /nfs/dbraw/zinc/28/75/31/410287531.db2.gz WHGFPPQIDFHZGA-ORAHPGNNSA-N 1 1 196.294 1.021 20 0 ADADMO CC/C=C\CNC(=O)[C@@H]1CCC[N@H+]1C 650825847 410287540 /nfs/dbraw/zinc/28/75/40/410287540.db2.gz AEVLKYBPHUWGAL-LWTINBJPSA-N 1 1 196.294 1.163 20 0 ADADMO C[C@H](C[N@H+]1CC[C@@H]1CO)C(C)(C)C 934016755 629876501 /nfs/dbraw/zinc/87/65/01/629876501.db2.gz XJPYJXZBTSZLPL-NXEZZACHSA-N 1 1 185.311 1.735 20 0 ADADMO CC[C@@H](C)[N@@H+](C)CCCC(=O)NC 388947784 538439058 /nfs/dbraw/zinc/43/90/58/538439058.db2.gz ZBZFZEMNGNJLQD-SECBINFHSA-N 1 1 186.299 1.243 20 0 ADADMO CC[N@@H+](CC1CC1)[C@H](C)[C@@H](C)O 68947903 572012163 /nfs/dbraw/zinc/01/21/63/572012163.db2.gz FUQJGEZVQPGTNO-RKDXNWHRSA-N 1 1 171.284 1.488 20 0 ADADMO C[C@@H](O)CC[N@@H+](C)CCCC1CC1 308262355 573111045 /nfs/dbraw/zinc/11/10/45/573111045.db2.gz NXFOBFQQOCJPCX-SNVBAGLBSA-N 1 1 185.311 1.879 20 0 ADADMO CC(C)C1(CN2CC[NH2+]CC2)CC1 77270275 573111214 /nfs/dbraw/zinc/11/12/14/573111214.db2.gz VZFCPBXQRUHDIQ-UHFFFAOYSA-N 1 1 182.311 1.328 20 0 ADADMO C[C@]1([NH2+]CCC2CC2)CCOC1=O 308295043 573183522 /nfs/dbraw/zinc/18/35/22/573183522.db2.gz JOPUTXXSZXGLFS-JTQLQIEISA-N 1 1 183.251 1.082 20 0 ADADMO CC(C)OC(=O)C[N@H+]1C[C@@H](C)C[C@@H]1C 125832252 573183659 /nfs/dbraw/zinc/18/36/59/573183659.db2.gz ZWSHIJGRZXPHPI-UWVGGRQHSA-N 1 1 199.294 1.668 20 0 ADADMO COC(C[N@H+]1CC[C@@H](C)[C@@H]1C)OC 308304888 573200489 /nfs/dbraw/zinc/20/04/89/573200489.db2.gz NEBAYDAAHFMJBE-BDAKNGLRSA-N 1 1 187.283 1.336 20 0 ADADMO CC[C@H](O)[C@H]1CCCC[N@H+]1CCF 308308806 573213005 /nfs/dbraw/zinc/21/30/05/573213005.db2.gz PUIWKSFYEJYLPS-ZJUUUORDSA-N 1 1 189.274 1.581 20 0 ADADMO CC[C@H](O)[C@@H]1CCCC[N@H+]1CCF 308308804 573213129 /nfs/dbraw/zinc/21/31/29/573213129.db2.gz PUIWKSFYEJYLPS-UWVGGRQHSA-N 1 1 189.274 1.581 20 0 ADADMO Cc1cccc(C[NH2+]CC2(N)CC2)c1 259038566 573225438 /nfs/dbraw/zinc/22/54/38/573225438.db2.gz IUNBKUWAEQBIIP-UHFFFAOYSA-N 1 1 190.290 1.576 20 0 ADADMO c1nc(C[NH2+]CCOC2CCC2)c[nH]1 308524270 573230415 /nfs/dbraw/zinc/23/04/15/573230415.db2.gz QIFRMBMKGAIKKB-UHFFFAOYSA-N 1 1 195.266 1.068 20 0 ADADMO Cc1cc[nH+]c(N[C@@H](CO)C(C)C)c1 86126297 573274073 /nfs/dbraw/zinc/27/40/73/573274073.db2.gz QKULPRILWKMODC-JTQLQIEISA-N 1 1 194.278 1.819 20 0 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