smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc([C@H](C)N[C@@H]2CC2(C)C)o1 45115303 537853822 /nfs/dbraw/zinc/85/38/22/537853822.db2.gz WZQYEJKLVUYLQH-GXSJLCMTSA-N 0 3 193.290 3.037 10 0 AGAEHN CC(C)c1cc(CN)c(C(C)(C)C)o1 77078501 537871518 /nfs/dbraw/zinc/87/15/18/537871518.db2.gz ANEBXVNDVBYVDG-UHFFFAOYSA-N 0 3 195.306 3.159 10 0 AGAEHN CCC[C@@H]1C[C@H]1NCc1ccsc1 165031854 538149032 /nfs/dbraw/zinc/14/90/32/538149032.db2.gz YJDTVQQOSQFTDA-GHMZBOCLSA-N 0 3 195.331 3.026 10 0 AGAEHN C/C=C/CN[C@H](C)c1ccc(C)s1 230635845 538210441 /nfs/dbraw/zinc/21/04/41/538210441.db2.gz JTHCEUONDHJOGP-ORAHPGNNSA-N 0 3 195.331 3.283 10 0 AGAEHN C/C=C/CN[C@@H](C)c1ccc(C)s1 230635838 538211555 /nfs/dbraw/zinc/21/15/55/538211555.db2.gz JTHCEUONDHJOGP-YEZKRMTDSA-N 0 3 195.331 3.283 10 0 AGAEHN C/C=C/CN[C@@H](CC)c1cccs1 230624688 538211772 /nfs/dbraw/zinc/21/17/72/538211772.db2.gz YKOGPPRXUTWDMT-GFAPAMAISA-N 0 3 195.331 3.365 10 0 AGAEHN C/C=C/CN[C@@H](C)c1cc(C)oc1C 230636853 538211850 /nfs/dbraw/zinc/21/18/50/538211850.db2.gz HHQFRKCGMADOHW-PORFMDCZSA-N 0 3 193.290 3.123 10 0 AGAEHN C/C=C/CN[C@H](C)c1cc(C)oc1C 230636863 538212667 /nfs/dbraw/zinc/21/26/67/538212667.db2.gz HHQFRKCGMADOHW-BRAIEQGRSA-N 0 3 193.290 3.123 10 0 AGAEHN C/C=C/CN[C@H](CC)c1cccs1 230624699 538212986 /nfs/dbraw/zinc/21/29/86/538212986.db2.gz YKOGPPRXUTWDMT-RXNUUUNCSA-N 0 3 195.331 3.365 10 0 AGAEHN CCC[C@@H]1C[C@H]1N[C@H](C)c1ccco1 252728355 538274283 /nfs/dbraw/zinc/27/42/83/538274283.db2.gz BBKVMVDSKGUUHG-GMTAPVOTSA-N 0 3 193.290 3.119 10 0 AGAEHN CCC[C@@H]1C[C@H]1N[C@H](C)c1ccoc1 252729691 538275884 /nfs/dbraw/zinc/27/58/84/538275884.db2.gz HVMYTYDRNHRXQC-CKYFFXLPSA-N 0 3 193.290 3.119 10 0 AGAEHN CCC[C@@H]1C[C@@H]1N[C@H](C)c1ccco1 252728356 538276767 /nfs/dbraw/zinc/27/67/67/538276767.db2.gz BBKVMVDSKGUUHG-MXWKQRLJSA-N 0 3 193.290 3.119 10 0 AGAEHN CCC[C@@H]1C[C@@H]1N[C@H](C)c1ccoc1 252729692 538277042 /nfs/dbraw/zinc/27/70/42/538277042.db2.gz HVMYTYDRNHRXQC-FOGDFJRCSA-N 0 3 193.290 3.119 10 0 AGAEHN CC(C)=CCNCc1csc(C)c1 379345170 538358708 /nfs/dbraw/zinc/35/87/08/538358708.db2.gz SFHYWNMBWPXGDH-UHFFFAOYSA-N 0 3 195.331 3.112 10 0 AGAEHN CC(C)c1cc(CN)c(C2CCC2)o1 675052659 538448232 /nfs/dbraw/zinc/44/82/32/538448232.db2.gz CFKXMTWXUVJKIK-UHFFFAOYSA-N 0 3 193.290 3.129 10 0 AGAEHN CC(C)c1oc(C(C)(C)C)cc1CN 675055807 538448583 /nfs/dbraw/zinc/44/85/83/538448583.db2.gz YUSGEJKWFYXDGH-UHFFFAOYSA-N 0 3 195.306 3.159 10 0 AGAEHN Cc1oc(C2CCCCC2)cc1CN 675054732 538448641 /nfs/dbraw/zinc/44/86/41/538448641.db2.gz PCTZZWHRKDTXTP-UHFFFAOYSA-N 0 3 193.290 3.094 10 0 AGAEHN CC[C@H](C)c1cc(CN)c(C2CC2)o1 675054444 538448702 /nfs/dbraw/zinc/44/87/02/538448702.db2.gz NOYQBAVQUAAMNH-QMMMGPOBSA-N 0 3 193.290 3.129 10 0 AGAEHN CC[C@H](C)c1cc(CN)c(C(C)C)o1 675054575 538448712 /nfs/dbraw/zinc/44/87/12/538448712.db2.gz OKPVQJTZJMVASW-VIFPVBQESA-N 0 3 195.306 3.375 10 0 AGAEHN CCCc1oc([C@H](C)CC)cc1CN 675055138 538448813 /nfs/dbraw/zinc/44/88/13/538448813.db2.gz QGLHOIXMWIAAFU-SECBINFHSA-N 0 3 195.306 3.204 10 0 AGAEHN CCCc1oc([C@@H](C)CC)cc1CN 675055139 538448892 /nfs/dbraw/zinc/44/88/92/538448892.db2.gz QGLHOIXMWIAAFU-VIFPVBQESA-N 0 3 195.306 3.204 10 0 AGAEHN CC[C@@H](C)c1cc(CN)c(C2CC2)o1 675054441 538448935 /nfs/dbraw/zinc/44/89/35/538448935.db2.gz NOYQBAVQUAAMNH-MRVPVSSYSA-N 0 3 193.290 3.129 10 0 AGAEHN CC(C)(C)CCC[C@@H](N)c1ccoc1 300840834 571981259 /nfs/dbraw/zinc/98/12/59/571981259.db2.gz JSJBPQHZBZWWQG-LLVKDONJSA-N 0 3 195.306 3.496 10 0 AGAEHN CN[C@H](CC(C)(C)C)c1occc1C 713173506 571986492 /nfs/dbraw/zinc/98/64/92/571986492.db2.gz AJCGWJNRUVEKQL-SNVBAGLBSA-N 0 3 195.306 3.285 10 0 AGAEHN CCN[C@H](c1cc(C)c(C)o1)C(C)C 300851683 571986565 /nfs/dbraw/zinc/98/65/65/571986565.db2.gz HIJXVQQMSANNDR-LBPRGKRZSA-N 0 3 195.306 3.203 10 0 AGAEHN CN[C@@H](CC(C)(C)C)c1occc1C 713173504 571986987 /nfs/dbraw/zinc/98/69/87/571986987.db2.gz AJCGWJNRUVEKQL-JTQLQIEISA-N 0 3 195.306 3.285 10 0 AGAEHN CCC[C@H](NCC)c1cc(C)c(C)o1 300861377 571992935 /nfs/dbraw/zinc/99/29/35/571992935.db2.gz JAUPMODGWRUDNQ-NSHDSACASA-N 0 3 195.306 3.347 10 0 AGAEHN CC(C)C1=C=NC(C(C)C)=CC=C1 39104810 571993006 /nfs/dbraw/zinc/99/30/06/571993006.db2.gz YBQQQSPWVVRXAJ-UHFFFAOYSA-N 0 3 175.275 3.348 10 0 AGAEHN CC(C)C[C@@H](C)C[C@H](N)c1ccoc1 300873280 571996800 /nfs/dbraw/zinc/99/68/00/571996800.db2.gz HWRNGBOXIADCIT-PWSUYJOCSA-N 0 3 195.306 3.352 10 0 AGAEHN C[C@H](CC1CC1)N[C@H](C)c1ccco1 69663714 572128941 /nfs/dbraw/zinc/12/89/41/572128941.db2.gz NGZSNDBNFSOVBE-NXEZZACHSA-N 0 3 193.290 3.119 10 0 AGAEHN CC(C)(C)CC[C@@H](N)c1ccoc1 69946323 572162823 /nfs/dbraw/zinc/16/28/23/572162823.db2.gz UWNKEHIZHRROBO-SNVBAGLBSA-N 0 3 181.279 3.106 10 0 AGAEHN CCC[C@@H](C)C[C@@H](N)c1ccoc1 69946456 572164200 /nfs/dbraw/zinc/16/42/00/572164200.db2.gz KUYUAQRYUMAEAN-MWLCHTKSSA-N 0 3 181.279 3.106 10 0 AGAEHN CC[C@H](C)[C@H](N)c1cc(F)ccc1F 19969494 572208181 /nfs/dbraw/zinc/20/81/81/572208181.db2.gz SGXVMXCKBHCWLS-CPCISQLKSA-N 0 3 199.244 3.011 10 0 AGAEHN CC[C@](F)(CN)C[C@@H](C)CC(C)C 300998674 572237579 /nfs/dbraw/zinc/23/75/79/572237579.db2.gz WTEJYVWVOHWFCI-WDEREUQCSA-N 0 3 189.318 3.136 10 0 AGAEHN CC(C)=C[C@@H](N)c1ccc(C)c(F)c1 86025426 573238646 /nfs/dbraw/zinc/23/86/46/573238646.db2.gz LDYTUFSIPSMTCB-GFCCVEGCSA-N 0 3 193.265 3.100 10 0 AGAEHN CCCCCC[C@H]1N[C@H](C)CS1 85310249 572720806 /nfs/dbraw/zinc/72/08/06/572720806.db2.gz LOKRKTVHWOICHB-ZJUUUORDSA-N 0 3 187.352 3.008 10 0 AGAEHN CN[C@@H](CC1CCC1)c1ccc(C)o1 128395269 573011293 /nfs/dbraw/zinc/01/12/93/573011293.db2.gz MRVCCVJQPYGCCC-NSHDSACASA-N 0 3 193.290 3.039 10 0 AGAEHN C[C@@H]1CCCc2[nH]c3ccncc3c21 113688839 573023298 /nfs/dbraw/zinc/02/32/98/573023298.db2.gz RNCILUBONOVIFN-MRVPVSSYSA-N 0 3 186.258 3.003 10 0 AGAEHN CCCC1([C@H](NC)c2ccco2)CC1 308483089 573023355 /nfs/dbraw/zinc/02/33/55/573023355.db2.gz HVMKBGSXUARPLL-LLVKDONJSA-N 0 3 193.290 3.120 10 0 AGAEHN CCCC1([C@@H](NC)c2ccco2)CC1 308483090 573023399 /nfs/dbraw/zinc/02/33/99/573023399.db2.gz HVMKBGSXUARPLL-NSHDSACASA-N 0 3 193.290 3.120 10 0 AGAEHN N=C(Nc1ccsc1)C1CCCC1 85535973 573070836 /nfs/dbraw/zinc/07/08/36/573070836.db2.gz FAVQPJWZFWNJGL-UHFFFAOYSA-N 0 3 194.303 3.327 10 0 AGAEHN C=C/C(=C/C)[C@H](NC)c1ccccc1 308258129 573093896 /nfs/dbraw/zinc/09/38/96/573093896.db2.gz SOFBZIUNNJQVRA-PTJCHJMSSA-N 0 3 187.286 3.079 10 0 AGAEHN CCCC[C@@H](NCC)c1ccc(C)o1 49844691 573139362 /nfs/dbraw/zinc/13/93/62/573139362.db2.gz JCLAMWMLNGTTHS-LLVKDONJSA-N 0 3 195.306 3.429 10 0 AGAEHN CCCC1([C@H]2N[C@@H](C)CS2)CCC1 686128019 573208155 /nfs/dbraw/zinc/20/81/55/573208155.db2.gz HOIHFZMUMSTKIW-UWVGGRQHSA-N 0 3 199.363 3.008 10 0 AGAEHN CCc1cccc2oc([C@@H](C)N)cc12 238308389 573219090 /nfs/dbraw/zinc/21/90/90/573219090.db2.gz OMKRPQAJMKTQEG-MRVPVSSYSA-N 0 3 189.258 3.015 10 0 AGAEHN CC[C@H](C)N(C)[C@@H](C)c1ccco1 308316782 573219177 /nfs/dbraw/zinc/21/91/77/573219177.db2.gz VZZLPAOBMFVDMG-UWVGGRQHSA-N 0 3 181.279 3.071 10 0 AGAEHN CC(C)=C[C@H](N)c1ccc(C)c(F)c1 86025433 573235290 /nfs/dbraw/zinc/23/52/90/573235290.db2.gz LDYTUFSIPSMTCB-LBPRGKRZSA-N 0 3 193.265 3.100 10 0 AGAEHN CN[C@@H](C=C(C)C)c1cccc(F)c1 86024641 573235469 /nfs/dbraw/zinc/23/54/69/573235469.db2.gz MOLLVOXCOJXVQB-LBPRGKRZSA-N 0 3 193.265 3.052 10 0 AGAEHN CCc1ccc([C@@H](N)C=C(C)C)cc1 86025193 573235500 /nfs/dbraw/zinc/23/55/00/573235500.db2.gz LCYINTDXCVUBSN-ZDUSSCGKSA-N 0 3 189.302 3.215 10 0 AGAEHN CC[C@@H](F)CN(C)[C@H](C)C(C)(C)C 308323670 573235507 /nfs/dbraw/zinc/23/55/07/573235507.db2.gz DASFINLDAUAOSC-NXEZZACHSA-N 0 3 189.318 3.101 10 0 AGAEHN CC[C@@H](F)CN(C)[C@@H](C)C(C)(C)C 308323673 573235842 /nfs/dbraw/zinc/23/58/42/573235842.db2.gz DASFINLDAUAOSC-VHSXEESVSA-N 0 3 189.318 3.101 10 0 AGAEHN CC(C)=C[C@@H](N)c1ccc(F)c(C)c1 86027374 573236088 /nfs/dbraw/zinc/23/60/88/573236088.db2.gz RNDLOIGYMHIGCJ-GFCCVEGCSA-N 0 3 193.265 3.100 10 0 AGAEHN CC(C)=C[C@H](N)c1cc(F)ccc1C 86029332 573239027 /nfs/dbraw/zinc/23/90/27/573239027.db2.gz XQOGWTLRJQYZLZ-LBPRGKRZSA-N 0 3 193.265 3.100 10 0 AGAEHN Cc1ccoc1[C@H](C)N[C@H](C)C1CC1 129257138 573270252 /nfs/dbraw/zinc/27/02/52/573270252.db2.gz IUYLSWNQGZKUFI-ZJUUUORDSA-N 0 3 193.290 3.037 10 0 AGAEHN Cc1ccoc1[C@@H](C)N[C@@H](C)C1CC1 129256476 573272826 /nfs/dbraw/zinc/27/28/26/573272826.db2.gz IUYLSWNQGZKUFI-VHSXEESVSA-N 0 3 193.290 3.037 10 0 AGAEHN Cl/C=C\CN1C[C@@H]2CCCCC[C@@H]21 308356955 573353248 /nfs/dbraw/zinc/35/32/48/573353248.db2.gz BPEBMWXLEGQALB-LJOBXYEVSA-N 0 3 199.725 3.003 10 0 AGAEHN CCCCC[C@H](N)c1occc1C 133066944 573373387 /nfs/dbraw/zinc/37/33/87/573373387.db2.gz WGAPWWAVKWLDHS-JTQLQIEISA-N 0 3 181.279 3.168 10 0 AGAEHN CCCCC[C@@H](N)c1occc1C 133067177 573374221 /nfs/dbraw/zinc/37/42/21/573374221.db2.gz WGAPWWAVKWLDHS-SNVBAGLBSA-N 0 3 181.279 3.168 10 0 AGAEHN CN[C@H](CCC1CC1)c1coc(C)c1 129883702 573410118 /nfs/dbraw/zinc/41/01/18/573410118.db2.gz NBMZIKKRSHGFIU-GFCCVEGCSA-N 0 3 193.290 3.039 10 0 AGAEHN C[C@@H]1NCc2cc(C(C)(C)C)ccc21 238395873 573440608 /nfs/dbraw/zinc/44/06/08/573440608.db2.gz DNAYEOYXKCRVIW-VIFPVBQESA-N 0 3 189.302 3.148 10 0 AGAEHN CSC(=N)Nc1ccc(C)cc1C 238401533 573454805 /nfs/dbraw/zinc/45/48/05/573454805.db2.gz WLHRRZGPQYCZIW-UHFFFAOYSA-N 0 3 194.303 3.013 10 0 AGAEHN Cc1cc(NC2CC2)c2ccccc2n1 35206357 572015336 /nfs/dbraw/zinc/01/53/36/572015336.db2.gz QNLBJBRMYXAJQL-UHFFFAOYSA-N 0 3 198.269 3.118 10 0 AGAEHN CCC[C@@H](C)[C@@](F)(CN)C(C)(C)C 300344532 572126104 /nfs/dbraw/zinc/12/61/04/572126104.db2.gz DFQPNJLVCDWBRC-KOLCDFICSA-N 0 3 189.318 3.136 10 0 AGAEHN CC[C@@H](C)[C@@H](N)c1cc(F)ccc1F 19969491 572206825 /nfs/dbraw/zinc/20/68/25/572206825.db2.gz SGXVMXCKBHCWLS-RDDDGLTNSA-N 0 3 199.244 3.011 10 0 AGAEHN C=C/C=C\CC[C@H](N)c1ccc(C)o1 713731942 572678146 /nfs/dbraw/zinc/67/81/46/572678146.db2.gz IHQBGYLPTWKUJF-WYGGZMRJSA-N 0 3 191.274 3.110 10 0 AGAEHN N[C@@H](CC1CCC1)c1ccc(Cl)o1 236297762 573545610 /nfs/dbraw/zinc/54/56/10/573545610.db2.gz VHDARHHLFNZYQW-QMMMGPOBSA-N 0 3 199.681 3.123 10 0 AGAEHN CCC[C@@H](N)c1c(F)ccc(C)c1F 95779143 573561817 /nfs/dbraw/zinc/56/18/17/573561817.db2.gz IQJRMZBCGSMVFA-SECBINFHSA-N 0 3 199.244 3.073 10 0 AGAEHN CNC(C)(C)SC1CCCCC1 259112722 573569723 /nfs/dbraw/zinc/56/97/23/573569723.db2.gz AZZHIZXBGCVNHS-UHFFFAOYSA-N 0 3 187.352 3.008 10 0 AGAEHN CCCC1([C@@H]2NCCCS2)CCC1 686127424 573072108 /nfs/dbraw/zinc/07/21/08/573072108.db2.gz CSZFIXWAIBABBW-SNVBAGLBSA-N 0 3 199.363 3.009 10 0 AGAEHN CCCC=C=C(CC)[C@@H]1C=CC=CN1 308261643 573114917 /nfs/dbraw/zinc/11/49/17/573114917.db2.gz MMTYAKQPGNURLN-NCWAPJAISA-N 0 3 189.302 3.320 10 0 AGAEHN CCC1([C@@H]2N[C@H](C)CCS2)CCC1 686127990 573217166 /nfs/dbraw/zinc/21/71/66/573217166.db2.gz GZPFTDCGNWUIOX-NXEZZACHSA-N 0 3 199.363 3.008 10 0 AGAEHN CC[C@H](F)CN(C)[C@@H](C)C(C)(C)C 308323672 573236920 /nfs/dbraw/zinc/23/69/20/573236920.db2.gz DASFINLDAUAOSC-UWVGGRQHSA-N 0 3 189.318 3.101 10 0 AGAEHN CC(C)=C[C@H](N)c1ccc(F)c(C)c1 86027375 573236222 /nfs/dbraw/zinc/23/62/22/573236222.db2.gz RNDLOIGYMHIGCJ-LBPRGKRZSA-N 0 3 193.265 3.100 10 0 AGAEHN CN[C@H](C=C(C)C)c1cccc(F)c1 86024645 573236351 /nfs/dbraw/zinc/23/63/51/573236351.db2.gz MOLLVOXCOJXVQB-GFCCVEGCSA-N 0 3 193.265 3.052 10 0 AGAEHN CC[C@H](F)CN(C)[C@H](C)C(C)(C)C 308323674 573236423 /nfs/dbraw/zinc/23/64/23/573236423.db2.gz DASFINLDAUAOSC-ZJUUUORDSA-N 0 3 189.318 3.101 10 0 AGAEHN CC(C)=C[C@@H](N)c1cccc(Cl)c1 86025010 573236522 /nfs/dbraw/zinc/23/65/22/573236522.db2.gz RLRUJSSDZOZXPE-LLVKDONJSA-N 0 3 195.693 3.306 10 0 AGAEHN CN[C@@H](C=C(C)C)c1cccc(C)c1 86026755 573236665 /nfs/dbraw/zinc/23/66/65/573236665.db2.gz YHAMQKDEDPHUQY-ZDUSSCGKSA-N 0 3 189.302 3.222 10 0 AGAEHN CN[C@@H](C=C(C)C)c1ccccc1C 86026696 573236714 /nfs/dbraw/zinc/23/67/14/573236714.db2.gz SRADYWHAUBAZKS-ZDUSSCGKSA-N 0 3 189.302 3.222 10 0 AGAEHN Cc1cccc([C@H](C)N[C@@H](C)CF)c1 308531079 573262760 /nfs/dbraw/zinc/26/27/60/573262760.db2.gz ZWQAHCNAFNRGEP-QWRGUYRKSA-N 0 3 195.281 3.004 10 0 AGAEHN 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0 3 195.306 3.414 10 0 AGAEHN CCc1cc2nc(C)c(Cl)c-2c[nH]1 142672390 573458815 /nfs/dbraw/zinc/45/88/15/573458815.db2.gz HGDJLBFAKTXMCO-UHFFFAOYSA-N 0 3 194.665 3.087 10 0 AGAEHN CCc1cc2[nH]c(C)c(Cl)c2cn1 142672390 573458824 /nfs/dbraw/zinc/45/88/24/573458824.db2.gz HGDJLBFAKTXMCO-UHFFFAOYSA-N 0 3 194.665 3.087 10 0 AGAEHN CNC[C@@H](F)c1ccccc1C(C)C 257827879 573527203 /nfs/dbraw/zinc/52/72/03/573527203.db2.gz ICXVYIMBAGKBBJ-GFCCVEGCSA-N 0 3 195.281 3.040 10 0 AGAEHN Cc1ccoc1[C@H](C)NCCC1CC1 130311025 573542700 /nfs/dbraw/zinc/54/27/00/573542700.db2.gz WJOLDKYTWYFCRI-JTQLQIEISA-N 0 3 193.290 3.039 10 0 AGAEHN CC(C)=CN[C@@H](C)c1ccccc1 238435201 573541985 /nfs/dbraw/zinc/54/19/85/573541985.db2.gz SDWVMDGTUTYHOC-NSHDSACASA-N 0 3 175.275 3.261 10 0 AGAEHN Nc1ccnc(C2CCCCCC2)c1 257825297 573544591 /nfs/dbraw/zinc/54/45/91/573544591.db2.gz HDPOBAXPEAUEEX-UHFFFAOYSA-N 0 3 190.290 3.102 10 0 AGAEHN CCc1ccc([C@@H](C)NC(C)(C)C)o1 308632374 573593522 /nfs/dbraw/zinc/59/35/22/573593522.db2.gz 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572205972 /nfs/dbraw/zinc/20/59/72/572205972.db2.gz SGXVMXCKBHCWLS-HQJQHLMTSA-N 0 3 199.244 3.011 10 0 AGAEHN C[C@@H]1CCCC[C@H]1Nc1ccncc1 19999429 572206814 /nfs/dbraw/zinc/20/68/14/572206814.db2.gz VYBJZUJGSHLAQX-ZYHUDNBSSA-N 0 3 190.290 3.072 10 0 AGAEHN Cc1ccc([C@H](N)C(C)(C)C)s1 19969776 572207168 /nfs/dbraw/zinc/20/71/68/572207168.db2.gz QMFBQYABIHAEGU-VIFPVBQESA-N 0 3 183.320 3.102 10 0 AGAEHN Cc1ccc([C@@H](N)C(C)(C)C)s1 19969775 572207386 /nfs/dbraw/zinc/20/73/86/572207386.db2.gz QMFBQYABIHAEGU-SECBINFHSA-N 0 3 183.320 3.102 10 0 AGAEHN CCc1ccc([C@H](N)C(C)(C)C)s1 19970640 572207946 /nfs/dbraw/zinc/20/79/46/572207946.db2.gz RCPNPHSDOAHYLJ-JTQLQIEISA-N 0 3 197.347 3.356 10 0 AGAEHN C[C@H]1CCCC[C@@H]1Nc1ccncc1 19999427 572208828 /nfs/dbraw/zinc/20/88/28/572208828.db2.gz VYBJZUJGSHLAQX-JQWIXIFHSA-N 0 3 190.290 3.072 10 0 AGAEHN CCC[C@H]1SCCN1C1CCCC1 687713406 572227708 /nfs/dbraw/zinc/22/77/08/572227708.db2.gz YXBQQDFPIVWETN-LLVKDONJSA-N 0 3 199.363 3.104 10 0 AGAEHN 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77075772 572691921 /nfs/dbraw/zinc/69/19/21/572691921.db2.gz MLAPLYALYKWBON-UHFFFAOYSA-N 0 3 195.306 3.075 10 0 AGAEHN CCc1oc(C(C)(C)C)cc1[C@@H](C)N 77075955 572691930 /nfs/dbraw/zinc/69/19/30/572691930.db2.gz RHYSIQQNRYZUMD-MRVPVSSYSA-N 0 3 195.306 3.159 10 0 AGAEHN CCc1oc(C(C)(C)C)cc1[C@H](C)N 77075956 572693424 /nfs/dbraw/zinc/69/34/24/572693424.db2.gz RHYSIQQNRYZUMD-QMMMGPOBSA-N 0 3 195.306 3.159 10 0 AGAEHN CCCc1oc(C(C)C)cc1CNC 77080462 572712776 /nfs/dbraw/zinc/71/27/76/572712776.db2.gz TTYLBVJGZWNKSU-UHFFFAOYSA-N 0 3 195.306 3.075 10 0 AGAEHN CCCc1oc(C(C)C)cc1[C@H](C)N 77080543 572710984 /nfs/dbraw/zinc/71/09/84/572710984.db2.gz INHIVPHVFRLDQT-VIFPVBQESA-N 0 3 195.306 3.375 10 0 AGAEHN CC(C)c1cc([C@@H](C)N)c(C2CC2)o1 77082612 572711119 /nfs/dbraw/zinc/71/11/19/572711119.db2.gz NYRCIAFZUYLFHG-MRVPVSSYSA-N 0 3 193.290 3.300 10 0 AGAEHN CCCc1oc(C)cc1CNC(C)C 77080356 572711468 /nfs/dbraw/zinc/71/14/68/572711468.db2.gz ZQDUDJLOHWNWDR-UHFFFAOYSA-N 0 3 195.306 3.039 10 0 AGAEHN CCCNCc1cc(C)oc1CCC 77080357 572711797 /nfs/dbraw/zinc/71/17/97/572711797.db2.gz GYCDKICQFSQJGX-UHFFFAOYSA-N 0 3 195.306 3.040 10 0 AGAEHN CC(C)c1cc([C@H](C)N)c(C2CC2)o1 77082613 572712221 /nfs/dbraw/zinc/71/22/21/572712221.db2.gz NYRCIAFZUYLFHG-QMMMGPOBSA-N 0 3 193.290 3.300 10 0 AGAEHN CNCc1cc(C(C)C)oc1C(C)C 77078393 572713508 /nfs/dbraw/zinc/71/35/08/572713508.db2.gz TXNZGRSXPZOJGM-UHFFFAOYSA-N 0 3 195.306 3.246 10 0 AGAEHN CCCc1oc(C(C)C)cc1[C@@H](C)N 77080542 572713871 /nfs/dbraw/zinc/71/38/71/572713871.db2.gz INHIVPHVFRLDQT-SECBINFHSA-N 0 3 195.306 3.375 10 0 AGAEHN C[C@H]1CC[C@H](N[C@@H](C)c2ccco2)C1 70643078 572717480 /nfs/dbraw/zinc/71/74/80/572717480.db2.gz VTKWMFBCNCPXNX-DCAQKATOSA-N 0 3 193.290 3.119 10 0 AGAEHN C[C@H]1CC[C@@H](N[C@@H](C)c2ccco2)C1 70643080 572718974 /nfs/dbraw/zinc/71/89/74/572718974.db2.gz VTKWMFBCNCPXNX-GARJFASQSA-N 0 3 193.290 3.119 10 0 AGAEHN CCCCCC[C@H]1N[C@@H](C)CS1 85310253 572721586 /nfs/dbraw/zinc/72/15/86/572721586.db2.gz LOKRKTVHWOICHB-UWVGGRQHSA-N 0 3 187.352 3.008 10 0 AGAEHN CCCCCC[C@@H]1NC[C@H](C)S1 85302343 572721230 /nfs/dbraw/zinc/72/12/30/572721230.db2.gz WAMLPNLVXJFWBA-VHSXEESVSA-N 0 3 187.352 3.008 10 0 AGAEHN CCCCCC[C@H]1NC[C@@H](C)S1 85302352 572722127 /nfs/dbraw/zinc/72/21/27/572722127.db2.gz WAMLPNLVXJFWBA-ZJUUUORDSA-N 0 3 187.352 3.008 10 0 AGAEHN CCCCCC[C@@H]1N[C@@H](C)CS1 85310252 572722888 /nfs/dbraw/zinc/72/28/88/572722888.db2.gz LOKRKTVHWOICHB-VHSXEESVSA-N 0 3 187.352 3.008 10 0 AGAEHN CCCCCC[C@@H]1NC[C@@H](C)S1 85302349 572722996 /nfs/dbraw/zinc/72/29/96/572722996.db2.gz WAMLPNLVXJFWBA-NXEZZACHSA-N 0 3 187.352 3.008 10 0 AGAEHN CCCCCC[C@H]1NC[C@H](C)S1 85302345 572723074 /nfs/dbraw/zinc/72/30/74/572723074.db2.gz WAMLPNLVXJFWBA-UWVGGRQHSA-N 0 3 187.352 3.008 10 0 AGAEHN CCCCCC[C@@H]1N[C@H](C)CS1 85310248 572723251 /nfs/dbraw/zinc/72/32/51/572723251.db2.gz LOKRKTVHWOICHB-NXEZZACHSA-N 0 3 187.352 3.008 10 0 AGAEHN CCCCC[C@H]1N[C@H](C)CCS1 85318625 572724608 /nfs/dbraw/zinc/72/46/08/572724608.db2.gz FOHWULRQXGTLES-ZJUUUORDSA-N 0 3 187.352 3.008 10 0 AGAEHN CCCCC[C@@H]1N[C@H](C)CCS1 85318624 572724910 /nfs/dbraw/zinc/72/49/10/572724910.db2.gz FOHWULRQXGTLES-NXEZZACHSA-N 0 3 187.352 3.008 10 0 AGAEHN CCCCC[C@@H]1N[C@@H](C)CCS1 85318626 572725176 /nfs/dbraw/zinc/72/51/76/572725176.db2.gz FOHWULRQXGTLES-VHSXEESVSA-N 0 3 187.352 3.008 10 0 AGAEHN CCCCCC[C@H]1NCCCS1 85314864 572725321 /nfs/dbraw/zinc/72/53/21/572725321.db2.gz NFRXBAVSZKJXAE-JTQLQIEISA-N 0 3 187.352 3.009 10 0 AGAEHN CCCCC[C@H]1N[C@@H](C)CCS1 85318627 572726117 /nfs/dbraw/zinc/72/61/17/572726117.db2.gz FOHWULRQXGTLES-UWVGGRQHSA-N 0 3 187.352 3.008 10 0 AGAEHN CCCCCC[C@@H]1NCCCS1 85314863 572726450 /nfs/dbraw/zinc/72/64/50/572726450.db2.gz NFRXBAVSZKJXAE-SNVBAGLBSA-N 0 3 187.352 3.009 10 0 AGAEHN Cc1oc(C(C)(C)C)c([C@@H](C)N)c1C 77089122 572727087 /nfs/dbraw/zinc/72/70/87/572727087.db2.gz FFZLFAASOCFXIR-MRVPVSSYSA-N 0 3 195.306 3.214 10 0 AGAEHN Cc1oc(C(C)C)c([C@@H](C)N)c1C 77089032 572727775 /nfs/dbraw/zinc/72/77/75/572727775.db2.gz MAUPWEIFZGCRNO-MRVPVSSYSA-N 0 3 181.279 3.040 10 0 AGAEHN CCC1(CC)CN[C@@H]1c1ccc(C)o1 307627500 572728372 /nfs/dbraw/zinc/72/83/72/572728372.db2.gz JIDMAOAQQQWFDS-LLVKDONJSA-N 0 3 193.290 3.039 10 0 AGAEHN Cc1oc(C(C)(C)C)c([C@H](C)N)c1C 77089123 572728515 /nfs/dbraw/zinc/72/85/15/572728515.db2.gz FFZLFAASOCFXIR-QMMMGPOBSA-N 0 3 195.306 3.214 10 0 AGAEHN Cc1oc(C(C)C)c([C@H](C)N)c1C 77089033 572728803 /nfs/dbraw/zinc/72/88/03/572728803.db2.gz MAUPWEIFZGCRNO-QMMMGPOBSA-N 0 3 181.279 3.040 10 0 AGAEHN CCC1(CC)CN[C@H]1c1ccc(C)o1 307627501 572729536 /nfs/dbraw/zinc/72/95/36/572729536.db2.gz JIDMAOAQQQWFDS-NSHDSACASA-N 0 3 193.290 3.039 10 0 AGAEHN CCc1sc(C(C)(C)C)cc1CN 77096173 572737375 /nfs/dbraw/zinc/73/73/75/572737375.db2.gz AFKFNLHIXSAJJL-UHFFFAOYSA-N 0 3 197.347 3.067 10 0 AGAEHN CCN[C@H](CC)c1cc(C)ccc1F 55224098 572754231 /nfs/dbraw/zinc/75/42/31/572754231.db2.gz WTUZWGANGOVQRR-GFCCVEGCSA-N 0 3 195.281 3.195 10 0 AGAEHN Cc1ccc([C@@H](CF)NC(C)C)cc1 107138799 572831995 /nfs/dbraw/zinc/83/19/95/572831995.db2.gz JDLIQOQVPRMADL-GFCCVEGCSA-N 0 3 195.281 3.004 10 0 AGAEHN CCC(CC)NC/C(Cl)=C/Cl 85976865 572838898 /nfs/dbraw/zinc/83/88/98/572838898.db2.gz CCXJTWFOBGDNGL-ALCCZGGFSA-N 0 3 196.121 3.084 10 0 AGAEHN CCC[C@@H](C)NC/C(Cl)=C/Cl 85976919 572838981 /nfs/dbraw/zinc/83/89/81/572838981.db2.gz HNVMXTKLLINUCQ-BESBCXERSA-N 0 3 196.121 3.084 10 0 AGAEHN CCCCCNC/C(Cl)=C/Cl 85976909 572839149 /nfs/dbraw/zinc/83/91/49/572839149.db2.gz UCCNOCLEFGFTMX-VURMDHGXSA-N 0 3 196.121 3.085 10 0 AGAEHN CCC[C@H](C)NC/C(Cl)=C/Cl 85976923 572839427 /nfs/dbraw/zinc/83/94/27/572839427.db2.gz HNVMXTKLLINUCQ-BJMRUTCWSA-N 0 3 196.121 3.084 10 0 AGAEHN CCN[C@@H](C=C(C)C)c1ccccc1 86026499 572845121 /nfs/dbraw/zinc/84/51/21/572845121.db2.gz BRXJOZRFWAUBBG-ZDUSSCGKSA-N 0 3 189.302 3.303 10 0 AGAEHN CCN[C@H](C=C(C)C)c1cccs1 86024884 572845722 /nfs/dbraw/zinc/84/57/22/572845722.db2.gz CYJIHLDIBOBWGE-SNVBAGLBSA-N 0 3 195.331 3.365 10 0 AGAEHN CCN[C@H](C=C(C)C)c1ccccc1 86026505 572845770 /nfs/dbraw/zinc/84/57/70/572845770.db2.gz BRXJOZRFWAUBBG-CYBMUJFWSA-N 0 3 189.302 3.303 10 0 AGAEHN CCN[C@@H](C=C(C)C)c1ccsc1 86025991 572846488 /nfs/dbraw/zinc/84/64/88/572846488.db2.gz XLAHGJITFSGJLO-NSHDSACASA-N 0 3 195.331 3.365 10 0 AGAEHN CCN[C@H](C=C(C)C)c1ccsc1 86025996 572846961 /nfs/dbraw/zinc/84/69/61/572846961.db2.gz XLAHGJITFSGJLO-LLVKDONJSA-N 0 3 195.331 3.365 10 0 AGAEHN CCN[C@@H](C=C(C)C)c1cccs1 86024834 572846982 /nfs/dbraw/zinc/84/69/82/572846982.db2.gz CYJIHLDIBOBWGE-JTQLQIEISA-N 0 3 195.331 3.365 10 0 AGAEHN CCCN[C@@H](C=C(C)C)c1ccco1 86055719 572849165 /nfs/dbraw/zinc/84/91/65/572849165.db2.gz BAGCPOQKFIRYLP-NSHDSACASA-N 0 3 193.290 3.287 10 0 AGAEHN CCCN[C@@H](C=C(C)C)c1ccoc1 86056409 572849534 /nfs/dbraw/zinc/84/95/34/572849534.db2.gz YOCOCYKNMMGAKR-LBPRGKRZSA-N 0 3 193.290 3.287 10 0 AGAEHN CCCN[C@H](C=C(C)C)c1ccco1 86055721 572849596 /nfs/dbraw/zinc/84/95/96/572849596.db2.gz BAGCPOQKFIRYLP-LLVKDONJSA-N 0 3 193.290 3.287 10 0 AGAEHN CCCN[C@H](C=C(C)C)c1ccoc1 86056411 572850216 /nfs/dbraw/zinc/85/02/16/572850216.db2.gz YOCOCYKNMMGAKR-GFCCVEGCSA-N 0 3 193.290 3.287 10 0 AGAEHN CCCC1([C@@H](N)c2ccsc2)CC1 308147694 572857637 /nfs/dbraw/zinc/85/76/37/572857637.db2.gz PAKDXKLWGLJQRD-JTQLQIEISA-N 0 3 195.331 3.328 10 0 AGAEHN CCCC1([C@H](N)c2ccsc2)CC1 308147695 572860326 /nfs/dbraw/zinc/86/03/26/572860326.db2.gz PAKDXKLWGLJQRD-SNVBAGLBSA-N 0 3 195.331 3.328 10 0 AGAEHN C/C=C/[C@H](NC(C)C)c1ccccc1 238053250 572918608 /nfs/dbraw/zinc/91/86/08/572918608.db2.gz XSSRJORIVPTEPI-GBVBUYCNSA-N 0 3 189.302 3.302 10 0 AGAEHN CC(C)(C)N/C=C1/C=Cc2ccccc21 238089286 572928589 /nfs/dbraw/zinc/92/85/89/572928589.db2.gz YOHIBNSTNVHHDI-BENRWUELSA-N 0 3 199.297 3.442 10 0 AGAEHN N[C@H](CCC1CC1)c1ccoc1Cl 236310858 572985175 /nfs/dbraw/zinc/98/51/75/572985175.db2.gz UCCMBWKMJDEFQR-SECBINFHSA-N 0 3 199.681 3.123 10 0 AGAEHN N[C@H](CCC1CC1)c1ccc(Cl)o1 236310716 572986635 /nfs/dbraw/zinc/98/66/35/572986635.db2.gz CTFQGPGZDGTDGW-MRVPVSSYSA-N 0 3 199.681 3.123 10 0 AGAEHN C/C=C(/C)CN[C@@H](C)c1ccc(C)o1 308472495 573004451 /nfs/dbraw/zinc/00/44/51/573004451.db2.gz ADLVLOZZCDRPBO-GWZUUTHWSA-N 0 3 193.290 3.205 10 0 AGAEHN CCN[C@H](C1=CCCCC1)C(C)(C)F 308473144 573004896 /nfs/dbraw/zinc/00/48/96/573004896.db2.gz JKQDEFFHJYUNQP-LLVKDONJSA-N 0 3 199.313 3.213 10 0 AGAEHN CCN[C@@H](C1=CCCCC1)C(C)(C)F 308473145 573006895 /nfs/dbraw/zinc/00/68/95/573006895.db2.gz JKQDEFFHJYUNQP-NSHDSACASA-N 0 3 199.313 3.213 10 0 AGAEHN C/C=C(\C)CN[C@@H](C)c1ccc(C)o1 308472497 573007465 /nfs/dbraw/zinc/00/74/65/573007465.db2.gz ADLVLOZZCDRPBO-NKLKJHRZSA-N 0 3 193.290 3.205 10 0 AGAEHN C/C=C(\C)CN[C@H](C)c1ccc(C)o1 308472494 573007952 /nfs/dbraw/zinc/00/79/52/573007952.db2.gz ADLVLOZZCDRPBO-FZPLPXEFSA-N 0 3 193.290 3.205 10 0 AGAEHN C/C=C(/C)CN[C@H](C)c1ccc(C)o1 308472499 573008100 /nfs/dbraw/zinc/00/81/00/573008100.db2.gz ADLVLOZZCDRPBO-YOOZJCNJSA-N 0 3 193.290 3.205 10 0 AGAEHN CCCCN(C)[C@H](C)CC(F)(F)F 308224882 573013848 /nfs/dbraw/zinc/01/38/48/573013848.db2.gz MOOCYDYSYCRCNL-MRVPVSSYSA-N 0 3 197.244 3.059 10 0 AGAEHN CCCCN(C)[C@@H](C)CC(F)(F)F 308224885 573015937 /nfs/dbraw/zinc/01/59/37/573015937.db2.gz MOOCYDYSYCRCNL-QMMMGPOBSA-N 0 3 197.244 3.059 10 0 AGAEHN CCCCN(C)[C@@H](C)c1ccoc1 308483161 573022150 /nfs/dbraw/zinc/02/21/50/573022150.db2.gz OCPBTVABKDANHE-JTQLQIEISA-N 0 3 181.279 3.073 10 0 AGAEHN C[C@H]1CCCc2[nH]c3ccncc3c21 113688841 573023883 /nfs/dbraw/zinc/02/38/83/573023883.db2.gz RNCILUBONOVIFN-QMMMGPOBSA-N 0 3 186.258 3.003 10 0 AGAEHN CCc1ccc([C@H](N)CC2CCC2)o1 128446518 573038496 /nfs/dbraw/zinc/03/84/96/573038496.db2.gz FFCIAOBCSLYSIP-LLVKDONJSA-N 0 3 193.290 3.032 10 0 AGAEHN CCc1ccc([C@@H](N)CC2CCC2)o1 128446751 573041275 /nfs/dbraw/zinc/04/12/75/573041275.db2.gz FFCIAOBCSLYSIP-NSHDSACASA-N 0 3 193.290 3.032 10 0 AGAEHN CC[C@@H](F)CN(CC)CC(C)(C)C 308249140 573054318 /nfs/dbraw/zinc/05/43/18/573054318.db2.gz APZHWPLKMNZIAH-SNVBAGLBSA-N 0 3 189.318 3.103 10 0 AGAEHN CCN[C@@H](c1ccccc1)C(C)(C)F 308488172 573057097 /nfs/dbraw/zinc/05/70/97/573057097.db2.gz PGPDDHMMYOAWIZ-NSHDSACASA-N 0 3 195.281 3.085 10 0 AGAEHN CC[C@@H](NCCCCF)c1ccco1 308487443 573057519 /nfs/dbraw/zinc/05/75/19/573057519.db2.gz OARJCEHXTGSNLL-SNVBAGLBSA-N 0 3 199.269 3.070 10 0 AGAEHN CCN[C@H](c1ccccc1)C(C)(C)F 308488170 573059501 /nfs/dbraw/zinc/05/95/01/573059501.db2.gz PGPDDHMMYOAWIZ-LLVKDONJSA-N 0 3 195.281 3.085 10 0 AGAEHN CC[C@H](NCCCCF)c1ccco1 308487441 573060045 /nfs/dbraw/zinc/06/00/45/573060045.db2.gz OARJCEHXTGSNLL-JTQLQIEISA-N 0 3 199.269 3.070 10 0 AGAEHN CC(C)(C)C(=N)Nc1ccsc1 85535981 573065857 /nfs/dbraw/zinc/06/58/57/573065857.db2.gz FSBBJLASUBXMNH-UHFFFAOYSA-N 0 3 182.292 3.183 10 0 AGAEHN CCCN(CC)[C@H](C)c1ccco1 308244948 573069429 /nfs/dbraw/zinc/06/94/29/573069429.db2.gz UXDWNNQATAJVJK-SNVBAGLBSA-N 0 3 181.279 3.073 10 0 AGAEHN CCCN(CC)[C@@H](C)c1ccco1 308244947 573070432 /nfs/dbraw/zinc/07/04/32/573070432.db2.gz UXDWNNQATAJVJK-JTQLQIEISA-N 0 3 181.279 3.073 10 0 AGAEHN CC[C@H](CNCc1ccco1)C(C)C 308489083 573071070 /nfs/dbraw/zinc/07/10/70/573071070.db2.gz AXTQKSHSNHCIMX-LLVKDONJSA-N 0 3 195.306 3.051 10 0 AGAEHN CC(C)=C[C@@H](N)c1ccc(F)cc1C 88124171 573073391 /nfs/dbraw/zinc/07/33/91/573073391.db2.gz SKZSWKAMUXZQHP-GFCCVEGCSA-N 0 3 193.265 3.100 10 0 AGAEHN CC[C@@H](CNCc1ccco1)C(C)C 308489084 573074648 /nfs/dbraw/zinc/07/46/48/573074648.db2.gz AXTQKSHSNHCIMX-NSHDSACASA-N 0 3 195.306 3.051 10 0 AGAEHN CCCC1([C@H]2NCCCS2)CCC1 686127423 573076058 /nfs/dbraw/zinc/07/60/58/573076058.db2.gz CSZFIXWAIBABBW-JTQLQIEISA-N 0 3 199.363 3.009 10 0 AGAEHN CC(C)=C[C@H](N)c1ccc(F)cc1C 88124172 573076478 /nfs/dbraw/zinc/07/64/78/573076478.db2.gz SKZSWKAMUXZQHP-LBPRGKRZSA-N 0 3 193.265 3.100 10 0 AGAEHN C[C@@H](NCCCCCF)c1ccco1 308492038 573077296 /nfs/dbraw/zinc/07/72/96/573077296.db2.gz REQNSDYPTUEVOR-SNVBAGLBSA-N 0 3 199.269 3.070 10 0 AGAEHN Cc1ccc2c(C)c([C@@H](C)N)oc2c1 82502229 573080393 /nfs/dbraw/zinc/08/03/93/573080393.db2.gz 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Cc1cscc1[C@H](N)C1=CCCC1 86815471 573634066 /nfs/dbraw/zinc/63/40/66/573634066.db2.gz WTVANSLQHSCKJW-LLVKDONJSA-N 0 3 193.315 3.167 10 0 AGAEHN CC[C@@H]1CC[C@H]([C@H](N)c2ccco2)C1 83800416 573636989 /nfs/dbraw/zinc/63/69/89/573636989.db2.gz JTCIDXPASNATOB-SCVCMEIPSA-N 0 3 193.290 3.106 10 0 AGAEHN CC[C@@H]1CC[C@@H]([C@H](N)c2ccco2)C1 83800420 573639431 /nfs/dbraw/zinc/63/94/31/573639431.db2.gz JTCIDXPASNATOB-FOGDFJRCSA-N 0 3 193.290 3.106 10 0 AGAEHN CNC[C@@H](F)c1ccc(C(C)C)cc1 257839192 573645678 /nfs/dbraw/zinc/64/56/78/573645678.db2.gz NFVYVEBEEOBGIK-GFCCVEGCSA-N 0 3 195.281 3.040 10 0 AGAEHN CNC[C@H](F)c1ccc(C(C)C)cc1 257839196 573646542 /nfs/dbraw/zinc/64/65/42/573646542.db2.gz NFVYVEBEEOBGIK-LBPRGKRZSA-N 0 3 195.281 3.040 10 0 AGAEHN CSC(=N)CCc1ccc(C)cc1 258842251 573653999 /nfs/dbraw/zinc/65/39/99/573653999.db2.gz VKIWMCNSGHZOID-UHFFFAOYSA-N 0 3 193.315 3.268 10 0 AGAEHN CC[C@H](N)c1cc2cccc(C)c2o1 83821202 573659806 /nfs/dbraw/zinc/65/98/06/573659806.db2.gz ZSRREJKOQUUILI-JTQLQIEISA-N 0 3 189.258 3.151 10 0 AGAEHN Cc1cc(C)c2cc([C@@H](C)N)oc2c1 83820218 573659985 /nfs/dbraw/zinc/65/99/85/573659985.db2.gz LKDMXZMLFOYFDU-SECBINFHSA-N 0 3 189.258 3.069 10 0 AGAEHN Cc1cc(C)c2oc([C@H](C)N)cc2c1 83820770 573660000 /nfs/dbraw/zinc/66/00/00/573660000.db2.gz NTVGXCLPUBCHQP-VIFPVBQESA-N 0 3 189.258 3.069 10 0 AGAEHN Cc1ccc(C)c2oc([C@@H](C)N)cc12 83820420 573660277 /nfs/dbraw/zinc/66/02/77/573660277.db2.gz KBDFBSRMICXXFZ-SECBINFHSA-N 0 3 189.258 3.069 10 0 AGAEHN Cc1cc(C)c2cc([C@H](C)N)oc2c1 83820220 573660699 /nfs/dbraw/zinc/66/06/99/573660699.db2.gz LKDMXZMLFOYFDU-VIFPVBQESA-N 0 3 189.258 3.069 10 0 AGAEHN CCc1cccc2cc([C@H](C)N)oc12 83820860 573660867 /nfs/dbraw/zinc/66/08/67/573660867.db2.gz XHTMEIRXNGDQTC-QMMMGPOBSA-N 0 3 189.258 3.015 10 0 AGAEHN CCc1ccc2oc([C@H](C)N)cc2c1 83820714 573661140 /nfs/dbraw/zinc/66/11/40/573661140.db2.gz RYDKYMPFSZURRZ-QMMMGPOBSA-N 0 3 189.258 3.015 10 0 AGAEHN Cc1cc(C)c2oc([C@@H](C)N)cc2c1 83820768 573661515 /nfs/dbraw/zinc/66/15/15/573661515.db2.gz NTVGXCLPUBCHQP-SECBINFHSA-N 0 3 189.258 3.069 10 0 AGAEHN CN[C@@H](C)c1cc2cccc(C)c2o1 83820140 573662237 /nfs/dbraw/zinc/66/22/37/573662237.db2.gz PXCFWTHENDIFNE-VIFPVBQESA-N 0 3 189.258 3.022 10 0 AGAEHN Cc1ccc2cc([C@@H](C)N)oc2c1C 83820458 573662269 /nfs/dbraw/zinc/66/22/69/573662269.db2.gz VKVKTAQZDRQQJR-SECBINFHSA-N 0 3 189.258 3.069 10 0 AGAEHN CCc1cccc2cc([C@@H](C)N)oc12 83820859 573662505 /nfs/dbraw/zinc/66/25/05/573662505.db2.gz XHTMEIRXNGDQTC-MRVPVSSYSA-N 0 3 189.258 3.015 10 0 AGAEHN CC1(C)CCC[C@H]1Nc1ccncc1 86876179 573669901 /nfs/dbraw/zinc/66/99/01/573669901.db2.gz KKFGTPPTPLGEHI-LLVKDONJSA-N 0 3 190.290 3.072 10 0 AGAEHN CC1(C)CCC[C@@H]1Nc1ccncc1 86876176 573672566 /nfs/dbraw/zinc/67/25/66/573672566.db2.gz KKFGTPPTPLGEHI-NSHDSACASA-N 0 3 190.290 3.072 10 0 AGAEHN C[C@H]1NCc2c1cccc2C(C)(C)C 238479452 573688587 /nfs/dbraw/zinc/68/85/87/573688587.db2.gz FURQXZPJJMVURB-SECBINFHSA-N 0 3 189.302 3.148 10 0 AGAEHN C[C@H]1NCc2cc(C(C)(C)C)ccc21 238479569 573689781 /nfs/dbraw/zinc/68/97/81/573689781.db2.gz DNAYEOYXKCRVIW-SECBINFHSA-N 0 3 189.302 3.148 10 0 AGAEHN C[C@H]1NCc2ccc(C(C)(C)C)cc21 238479766 573691467 /nfs/dbraw/zinc/69/14/67/573691467.db2.gz KZGHIMPFURYRBW-SECBINFHSA-N 0 3 189.302 3.148 10 0 AGAEHN CC(C)c1ccc(S[C@@H](C)N)cc1 259162539 573692900 /nfs/dbraw/zinc/69/29/00/573692900.db2.gz GWAFOZMRVSVOPK-VIFPVBQESA-N 0 3 195.331 3.207 10 0 AGAEHN CC(C)c1ccc(S[C@H](C)N)cc1 259162537 573694323 /nfs/dbraw/zinc/69/43/23/573694323.db2.gz GWAFOZMRVSVOPK-SECBINFHSA-N 0 3 195.331 3.207 10 0 AGAEHN N[C@H](CCC1CC1)c1sccc1F 393551074 573699601 /nfs/dbraw/zinc/69/96/01/573699601.db2.gz FOZYSJQRRRSWPZ-SECBINFHSA-N 0 3 199.294 3.077 10 0 AGAEHN Cc1ccc(SC(C)(C)N)c(C)c1 259169530 573701906 /nfs/dbraw/zinc/70/19/06/573701906.db2.gz HNHQVTIUPKPSIC-UHFFFAOYSA-N 0 3 195.331 3.090 10 0 AGAEHN CCN[C@H](CCC1CC1)c1ccco1 83938226 573705100 /nfs/dbraw/zinc/70/51/00/573705100.db2.gz SUJNKVWCCVCPAW-LLVKDONJSA-N 0 3 193.290 3.120 10 0 AGAEHN CC(C)N[C@@H](c1ccco1)C(C)(C)C 308681364 573724513 /nfs/dbraw/zinc/72/45/13/573724513.db2.gz XQBIVGVSXIOZRX-NSHDSACASA-N 0 3 195.306 3.365 10 0 AGAEHN Cc1coc([C@H](N)[C@@H](C)C2CCC2)c1 716121509 573726992 /nfs/dbraw/zinc/72/69/92/573726992.db2.gz AMEVPTOSBWLSGQ-JOYOIKCWSA-N 0 3 193.290 3.024 10 0 AGAEHN Cc1coc([C@@H](N)[C@H](C)C2CCC2)c1 716121511 573727145 /nfs/dbraw/zinc/72/71/45/573727145.db2.gz AMEVPTOSBWLSGQ-SKDRFNHKSA-N 0 3 193.290 3.024 10 0 AGAEHN Cc1coc([C@@H](N)[C@@H](C)C2CCC2)c1 716121506 573729660 /nfs/dbraw/zinc/72/96/60/573729660.db2.gz AMEVPTOSBWLSGQ-CABZTGNLSA-N 0 3 193.290 3.024 10 0 AGAEHN Cc1coc([C@H](N)[C@H](C)C2CCC2)c1 716121497 573729834 /nfs/dbraw/zinc/72/98/34/573729834.db2.gz AMEVPTOSBWLSGQ-BXKDBHETSA-N 0 3 193.290 3.024 10 0 AGAEHN Cc1cc(C)c(S[C@@H](C)N)c(C)c1 259174807 573744312 /nfs/dbraw/zinc/74/43/12/573744312.db2.gz IADIDAQYDCSHLT-JTQLQIEISA-N 0 3 195.331 3.009 10 0 AGAEHN [NH2+]=C/C=C/c1c([O-])ccc2ccccc12 308709709 573762467 /nfs/dbraw/zinc/76/24/67/573762467.db2.gz LZOFVPHPJMFAQI-PSWGYPDDSA-N 0 3 197.237 3.208 10 0 AGAEHN CSC(=N)c1cc(C)c(C)cc1C 259177698 573765730 /nfs/dbraw/zinc/76/57/30/573765730.db2.gz LXVZPTCRJTWGJV-UHFFFAOYSA-N 0 3 193.315 3.300 10 0 AGAEHN CCN[C@@H](C=C(C)C)c1ccc(C)o1 131126923 573766360 /nfs/dbraw/zinc/76/63/60/573766360.db2.gz BEANEZDFGMQKAQ-NSHDSACASA-N 0 3 193.290 3.205 10 0 AGAEHN CCN[C@@H](C=C(C)C)c1coc(C)c1 131142842 573768777 /nfs/dbraw/zinc/76/87/77/573768777.db2.gz YMXIHLOQSNZIRY-LBPRGKRZSA-N 0 3 193.290 3.205 10 0 AGAEHN C[C@H](C[C@@H](N)c1ccoc1)C(C)(C)C 127163045 573780692 /nfs/dbraw/zinc/78/06/92/573780692.db2.gz JCPVAJJOJMRIFX-MWLCHTKSSA-N 0 3 195.306 3.352 10 0 AGAEHN C[C@H](C[C@H](N)c1ccoc1)C(C)(C)C 127162596 573780902 /nfs/dbraw/zinc/78/09/02/573780902.db2.gz JCPVAJJOJMRIFX-KOLCDFICSA-N 0 3 195.306 3.352 10 0 AGAEHN C[C@@H](C[C@H](N)c1ccoc1)C(C)(C)C 127162367 573782935 /nfs/dbraw/zinc/78/29/35/573782935.db2.gz JCPVAJJOJMRIFX-ONGXEEELSA-N 0 3 195.306 3.352 10 0 AGAEHN CC1=Nc2ccccc2NC(C)=C1C 238503756 573784702 /nfs/dbraw/zinc/78/47/02/573784702.db2.gz PCUKUDFIEJUUFZ-UHFFFAOYSA-N 0 3 186.258 3.498 10 0 AGAEHN N[C@H](CCC1CCCC1)c1ccoc1 127189200 573788685 /nfs/dbraw/zinc/78/86/85/573788685.db2.gz ROBSRAIUNQWLOR-GFCCVEGCSA-N 0 3 193.290 3.250 10 0 AGAEHN Clc1ccccc1/C=C1\CCCN1 238504250 573797996 /nfs/dbraw/zinc/79/79/96/573797996.db2.gz HOEDUIMCNBQTGJ-CSKARUKUSA-N 0 3 193.677 3.064 10 0 AGAEHN Cc1coc([C@H](N)[C@H]2CC[C@@H](C)C2)c1 716199422 573811537 /nfs/dbraw/zinc/81/15/37/573811537.db2.gz JCUARDDOMDHFFN-UBHAPETDSA-N 0 3 193.290 3.024 10 0 AGAEHN CCN[C@H](c1cc(C)co1)C1(C)CC1 716198618 573812644 /nfs/dbraw/zinc/81/26/44/573812644.db2.gz GGSQWZGOAZCLIA-LLVKDONJSA-N 0 3 193.290 3.039 10 0 AGAEHN CCN[C@@H](c1cc(C)co1)C1(C)CC1 716198620 573813542 /nfs/dbraw/zinc/81/35/42/573813542.db2.gz GGSQWZGOAZCLIA-NSHDSACASA-N 0 3 193.290 3.039 10 0 AGAEHN CC[C@@H]1CC[C@@H]1N[C@@H](C)c1ccco1 308744553 573814808 /nfs/dbraw/zinc/81/48/08/573814808.db2.gz QSHIREZBRDHXHY-AXFHLTTASA-N 0 3 193.290 3.119 10 0 AGAEHN CC[C@@H]1CC[C@H]1N[C@@H](C)c1ccco1 308744560 573815375 /nfs/dbraw/zinc/81/53/75/573815375.db2.gz QSHIREZBRDHXHY-HBNTYKKESA-N 0 3 193.290 3.119 10 0 AGAEHN CCC[C@@H](N)c1cc(F)c(C)cc1F 87188832 573818340 /nfs/dbraw/zinc/81/83/40/573818340.db2.gz PFKSCOVYZYWHRI-LLVKDONJSA-N 0 3 199.244 3.073 10 0 AGAEHN CCC[C@H](N)c1cc(F)c(C)cc1F 87188829 573820527 /nfs/dbraw/zinc/82/05/27/573820527.db2.gz PFKSCOVYZYWHRI-NSHDSACASA-N 0 3 199.244 3.073 10 0 AGAEHN CC[C@H](C)c1csc([C@@H](N)CC)n1 41059287 573827943 /nfs/dbraw/zinc/82/79/43/573827943.db2.gz DELWUXYISHXEHI-YUMQZZPRSA-N 0 3 198.335 3.066 10 0 AGAEHN CCCCC[C@@H](N)c1nc(C)cs1 41059711 573828813 /nfs/dbraw/zinc/82/88/13/573828813.db2.gz YYJXIVCIWJMGQG-SECBINFHSA-N 0 3 198.335 3.032 10 0 AGAEHN CCCC1([C@@H](N)c2cccs2)CC1 393564906 573837281 /nfs/dbraw/zinc/83/72/81/573837281.db2.gz IFSNMUIYPSTKSE-JTQLQIEISA-N 0 3 195.331 3.328 10 0 AGAEHN CCC(CC)CCNCc1ccco1 308762483 573838129 /nfs/dbraw/zinc/83/81/29/573838129.db2.gz YQJCZDPXRWRABB-UHFFFAOYSA-N 0 3 195.306 3.196 10 0 AGAEHN C1CCC(S[C@@H]2CCCCN2)CC1 259209788 573843879 /nfs/dbraw/zinc/84/38/79/573843879.db2.gz LGXUNIMZLFFPGW-LLVKDONJSA-N 0 3 199.363 3.152 10 0 AGAEHN CCCCC[C@H](NC)c1ccc(C)o1 43610515 573845726 /nfs/dbraw/zinc/84/57/26/573845726.db2.gz SGYQCADZSJXNBD-NSHDSACASA-N 0 3 195.306 3.429 10 0 AGAEHN CCCC[C@H](NC)c1ccc(C)o1 43610452 573844766 /nfs/dbraw/zinc/84/47/66/573844766.db2.gz OJLDIAVMNNFDEO-JTQLQIEISA-N 0 3 181.279 3.039 10 0 AGAEHN CCC(CC)[C@@H](N)c1ccc(C)o1 43609628 573844949 /nfs/dbraw/zinc/84/49/49/573844949.db2.gz FPTPSYAULDONKI-LLVKDONJSA-N 0 3 181.279 3.024 10 0 AGAEHN CCCN[C@@H](CC)c1ccc(C)o1 43610998 573845388 /nfs/dbraw/zinc/84/53/88/573845388.db2.gz MHLMMPBEDOJFMN-JTQLQIEISA-N 0 3 181.279 3.039 10 0 AGAEHN CCC(CC)[C@H](N)c1ccc(C)o1 43609625 573848764 /nfs/dbraw/zinc/84/87/64/573848764.db2.gz FPTPSYAULDONKI-NSHDSACASA-N 0 3 181.279 3.024 10 0 AGAEHN CCCN[C@H](CC)c1ccc(C)o1 43611000 573848375 /nfs/dbraw/zinc/84/83/75/573848375.db2.gz MHLMMPBEDOJFMN-SNVBAGLBSA-N 0 3 181.279 3.039 10 0 AGAEHN CCCN[C@@H](CCC)c1ccco1 43608531 573859508 /nfs/dbraw/zinc/85/95/08/573859508.db2.gz IKZSRQDIIKRFDM-JTQLQIEISA-N 0 3 181.279 3.120 10 0 AGAEHN Cc1ccc([C@H](N)[C@@H](C)CC(C)C)o1 308458264 573862850 /nfs/dbraw/zinc/86/28/50/573862850.db2.gz FNMPKTKZBJAOJS-JOYOIKCWSA-N 0 3 195.306 3.270 10 0 AGAEHN CCC1([C@@H]2NCC[C@@H](C)S2)CCC1 686129214 573862938 /nfs/dbraw/zinc/86/29/38/573862938.db2.gz QYEKACGRPYSXKE-NXEZZACHSA-N 0 3 199.363 3.008 10 0 AGAEHN Cc1ccc([C@H](N)[C@H](C)CC(C)C)o1 308458262 573863647 /nfs/dbraw/zinc/86/36/47/573863647.db2.gz FNMPKTKZBJAOJS-BXKDBHETSA-N 0 3 195.306 3.270 10 0 AGAEHN CCC1([C@H]2NCC[C@H](C)S2)CCC1 686129215 573863705 /nfs/dbraw/zinc/86/37/05/573863705.db2.gz QYEKACGRPYSXKE-UWVGGRQHSA-N 0 3 199.363 3.008 10 0 AGAEHN CCC1([C@H]2NCC[C@@H](C)S2)CCC1 686129217 573867451 /nfs/dbraw/zinc/86/74/51/573867451.db2.gz QYEKACGRPYSXKE-ZJUUUORDSA-N 0 3 199.363 3.008 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3 193.290 3.250 10 0 AGAEHN Clc1ccc(C2=CCCCN2)cc1 238561971 573891778 /nfs/dbraw/zinc/89/17/78/573891778.db2.gz OUAHQJKMUAKNRD-UHFFFAOYSA-N 0 3 193.677 3.064 10 0 AGAEHN C[C@@H]1CN[C@H](CC2CCCCC2)S1 87474032 573926256 /nfs/dbraw/zinc/92/62/56/573926256.db2.gz MJEMBDPAJFRJGC-KOLCDFICSA-N 0 3 199.363 3.008 10 0 AGAEHN C[C@H]1CN[C@@H](CC2CCCCC2)S1 87474037 573927729 /nfs/dbraw/zinc/92/77/29/573927729.db2.gz MJEMBDPAJFRJGC-GXSJLCMTSA-N 0 3 199.363 3.008 10 0 AGAEHN C[C@@H]1CS[C@@H](CC2CCCCC2)N1 87474043 573928113 /nfs/dbraw/zinc/92/81/13/573928113.db2.gz UMAIWQBZNAUTQF-KOLCDFICSA-N 0 3 199.363 3.008 10 0 AGAEHN C[C@H]1CS[C@@H](CC2CCCCC2)N1 87474046 573928207 /nfs/dbraw/zinc/92/82/07/573928207.db2.gz UMAIWQBZNAUTQF-ONGXEEELSA-N 0 3 199.363 3.008 10 0 AGAEHN C1CCC(C[C@H]2NCCCS2)CC1 87474050 573928581 /nfs/dbraw/zinc/92/85/81/573928581.db2.gz BQIKONGJAPGBDT-NSHDSACASA-N 0 3 199.363 3.009 10 0 AGAEHN C[C@@H]1CS[C@H](CC2CCCCC2)N1 87474040 573928909 /nfs/dbraw/zinc/92/89/09/573928909.db2.gz 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139704800 343995799 /nfs/dbraw/zinc/99/57/99/343995799.db2.gz IOYFDKOAVAATGY-UHFFFAOYSA-N 0 3 187.286 3.078 10 0 AGAEHN CC(C)(C)[C@@H](N)c1cc(F)ccc1F 19969407 171037294 /nfs/dbraw/zinc/03/72/94/171037294.db2.gz QWNVSXRTZFIEAG-JTQLQIEISA-N 0 3 199.244 3.011 10 0 AGAEHN CC(C)=C(C)CC[C@@]1(C)NCCS1 33872522 171051978 /nfs/dbraw/zinc/05/19/78/171051978.db2.gz JJDZEYJKWDEOBV-NSHDSACASA-N 0 3 199.363 3.176 10 0 AGAEHN CC(C)=C(C)CC[C@]1(C)NCCS1 33872521 171052219 /nfs/dbraw/zinc/05/22/19/171052219.db2.gz JJDZEYJKWDEOBV-LLVKDONJSA-N 0 3 199.363 3.176 10 0 AGAEHN CCCCCCNc1ccncc1 70020172 171106017 /nfs/dbraw/zinc/10/60/17/171106017.db2.gz SGZWATMDTXEATH-UHFFFAOYSA-N 0 3 178.279 3.074 10 0 AGAEHN Cc1ccccc1CNc1ccncc1 5420845 171165060 /nfs/dbraw/zinc/16/50/60/171165060.db2.gz CGRPLZIZLKEZSI-UHFFFAOYSA-N 0 3 198.269 3.002 10 0 AGAEHN CCC/C=C/CC[C@@]1(C)NCCS1 33984077 171184845 /nfs/dbraw/zinc/18/48/45/171184845.db2.gz VPGMNFFANPOGGC-QRGHLMKCSA-N 0 3 199.363 3.176 10 0 AGAEHN CCC/C=C/CC[C@]1(C)NCCS1 33984076 171185032 /nfs/dbraw/zinc/18/50/32/171185032.db2.gz VPGMNFFANPOGGC-MVIFTORASA-N 0 3 199.363 3.176 10 0 AGAEHN CC[C@H](N)c1cc2sccc2s1 166875748 344291924 /nfs/dbraw/zinc/29/19/24/344291924.db2.gz ROWNOKQCEDLPHD-LURJTMIESA-N 0 3 197.328 3.373 10 0 AGAEHN CN1CCC[C@H]1c1ccccc1Cl 218221875 344410715 /nfs/dbraw/zinc/41/07/15/344410715.db2.gz IIPXKRUCKNKVMM-NSHDSACASA-N 0 3 195.693 3.107 10 0 AGAEHN CC[C@@H]1CC[C@]2(C1)NCC[C@@H](C)S2 226589149 344507272 /nfs/dbraw/zinc/50/72/72/344507272.db2.gz KXCFLTVQNXIQDO-MXWKQRLJSA-N 0 3 199.363 3.008 10 0 AGAEHN C[C@H]1CCS[C@@]2(CCC[C@@H](C)C2)N1 226583858 344507282 /nfs/dbraw/zinc/50/72/82/344507282.db2.gz SPAWNDHZOMQKTI-OUAUKWLOSA-N 0 3 199.363 3.008 10 0 AGAEHN C[C@H]1CCCC[C@@]12NCC[C@@H](C)S2 226587033 344507285 /nfs/dbraw/zinc/50/72/85/344507285.db2.gz UVMPXAVNJUOFKV-AXFHLTTASA-N 0 3 199.363 3.008 10 0 AGAEHN CC[C@@H]1CC[C@]2(C1)N[C@@H](C)CCS2 226587751 344507360 /nfs/dbraw/zinc/50/73/60/344507360.db2.gz JJZNNARFUBITPL-AXFHLTTASA-N 0 3 199.363 3.008 10 0 AGAEHN CC[C@@H]1CC[C@@]2(C1)N[C@@H](C)CCS2 226587733 344507417 /nfs/dbraw/zinc/50/74/17/344507417.db2.gz JJZNNARFUBITPL-HBNTYKKESA-N 0 3 199.363 3.008 10 0 AGAEHN CC[C@@H]1CCC[C@]12N[C@@H](C)CCS2 229665920 344610117 /nfs/dbraw/zinc/61/01/17/344610117.db2.gz KIYTYKYDDRRQNV-HBNTYKKESA-N 0 3 199.363 3.008 10 0 AGAEHN CC[C@@H]1CCC[C@@]12NCC[C@@H](C)S2 229666022 344610132 /nfs/dbraw/zinc/61/01/32/344610132.db2.gz QTOKYUGEXKPMNP-MXWKQRLJSA-N 0 3 199.363 3.008 10 0 AGAEHN C[C@H]1CCS[C@@](C)(CC2CCC2)N1 229753324 344614429 /nfs/dbraw/zinc/61/44/29/344614429.db2.gz VFPPYQCDJWSKEQ-ONGXEEELSA-N 0 3 199.363 3.008 10 0 AGAEHN C[C@@H]1CCS[C@@](C)(CC2CCC2)N1 229753318 344614439 /nfs/dbraw/zinc/61/44/39/344614439.db2.gz VFPPYQCDJWSKEQ-KOLCDFICSA-N 0 3 199.363 3.008 10 0 AGAEHN CC[C@@H]1CCC[C@@]12N[C@@H](C)CCS2 229665912 344610149 /nfs/dbraw/zinc/61/01/49/344610149.db2.gz KIYTYKYDDRRQNV-AXFHLTTASA-N 0 3 199.363 3.008 10 0 AGAEHN CO[C@@H](C(C)=N)c1c(C)cccc1C 231418753 344653081 /nfs/dbraw/zinc/65/30/81/344653081.db2.gz HWTDEERWDQAGBX-LBPRGKRZSA-N 0 3 191.274 3.031 10 0 AGAEHN CCC[C@@]1(CC)N[C@H](C)CCS1 233317938 344700851 /nfs/dbraw/zinc/70/08/51/344700851.db2.gz APHQTQLIJCXHJT-ZJUUUORDSA-N 0 3 187.352 3.008 10 0 AGAEHN CC[C@@H]1CCC[C@]12N[C@H](C)CCS2 252943157 344920453 /nfs/dbraw/zinc/92/04/53/344920453.db2.gz KIYTYKYDDRRQNV-GMTAPVOTSA-N 0 3 199.363 3.008 10 0 AGAEHN CCC1([C@H](N)c2ccccc2F)CC1 306183767 345074732 /nfs/dbraw/zinc/07/47/32/345074732.db2.gz ANQCVLUWBDDKDC-LLVKDONJSA-N 0 3 193.265 3.016 10 0 AGAEHN CC[C@@]1(C2CCC2)NCC[C@@H](C)S1 306487070 345357351 /nfs/dbraw/zinc/35/73/51/345357351.db2.gz INRBWZGDHCCBFJ-MWLCHTKSSA-N 0 3 199.363 3.008 10 0 AGAEHN C[C@H]1CCS[C@@H](CC2CCCC2)N1 306560532 345436778 /nfs/dbraw/zinc/43/67/78/345436778.db2.gz RRRPTXLBERXPSQ-ONGXEEELSA-N 0 3 199.363 3.008 10 0 AGAEHN Cc1scc(CN)c1[C@@H]1CC1(C)C 306561436 345437715 /nfs/dbraw/zinc/43/77/15/345437715.db2.gz BUOLQMVHVQOYEF-VIFPVBQESA-N 0 3 195.331 3.029 10 0 AGAEHN Cc1scc(CN)c1[C@H]1CC1(C)C 306561435 345437730 /nfs/dbraw/zinc/43/77/30/345437730.db2.gz BUOLQMVHVQOYEF-SECBINFHSA-N 0 3 195.331 3.029 10 0 AGAEHN CNC(C)(C)[C@H](F)c1cccc(C)c1 307711462 346197236 /nfs/dbraw/zinc/19/72/36/346197236.db2.gz UFPQKDBNNPPASG-LLVKDONJSA-N 0 3 195.281 3.004 10 0 AGAEHN C/C=C\CNCc1ccccc1Cl 308098145 346255832 /nfs/dbraw/zinc/25/58/32/346255832.db2.gz BEHPYYXWHZGVKK-IHWYPQMZSA-N 0 3 195.693 3.006 10 0 AGAEHN C/C=C\CN[C@@H](C)c1ccccc1F 308408479 346299757 /nfs/dbraw/zinc/29/97/57/346299757.db2.gz ZBEGLBUAHMBNFG-XOULXFPDSA-N 0 3 193.265 3.052 10 0 AGAEHN C/C=C/[C@H](N)c1ccc(Cl)cc1C 575567256 352710633 /nfs/dbraw/zinc/71/06/33/352710633.db2.gz KGZZUZMIJJSXHM-UFFNRZRYSA-N 0 3 195.693 3.224 10 0 AGAEHN Cc1sccc1[C@H](N)[C@]1(C)C[C@H]1C 575582800 352790191 /nfs/dbraw/zinc/79/01/91/352790191.db2.gz HKGLNFMDOFEDFY-PPKCKEKNSA-N 0 3 195.331 3.102 10 0 AGAEHN Cc1cc2nc3ccccc3c-2c(C)[nH]1 6070237 343012341 /nfs/dbraw/zinc/01/23/41/343012341.db2.gz LSMFRNHNKRLJLH-UHFFFAOYSA-N 0 3 196.253 3.333 10 0 AGAEHN CC1=NC[C@@H](C)c2c1[nH]c1ccccc21 13123191 343032983 /nfs/dbraw/zinc/03/29/83/343032983.db2.gz YYCFDQPFRZCFDU-MRVPVSSYSA-N 0 3 198.269 3.094 10 0 AGAEHN CC1=NC[C@H](C)c2c1[nH]c1ccccc21 13123192 343033059 /nfs/dbraw/zinc/03/30/59/343033059.db2.gz YYCFDQPFRZCFDU-QMMMGPOBSA-N 0 3 198.269 3.094 10 0 AGAEHN CC(C)[C@@H](N)c1ccc(Cl)s1 26516381 343089563 /nfs/dbraw/zinc/08/95/63/343089563.db2.gz MIGFPVLXSIAOIM-MRVPVSSYSA-N 0 3 189.711 3.057 10 0 AGAEHN CN1CCC[C@H]1c1cccc(Cl)c1 28100181 343091683 /nfs/dbraw/zinc/09/16/83/343091683.db2.gz PGKLSPPYVCCNSH-NSHDSACASA-N 0 3 195.693 3.107 10 0 AGAEHN CN1CCC[C@@H]1c1cccc(Cl)c1 28100176 343091737 /nfs/dbraw/zinc/09/17/37/343091737.db2.gz PGKLSPPYVCCNSH-LLVKDONJSA-N 0 3 195.693 3.107 10 0 AGAEHN c1ccc(C2=NCCCCC2)cc1 32252717 343102046 /nfs/dbraw/zinc/10/20/46/343102046.db2.gz PGRRLZTVOUMEAO-UHFFFAOYSA-N 0 3 173.259 3.050 10 0 AGAEHN CC1(C)C=CN=C1c1ccccc1 36438054 343145657 /nfs/dbraw/zinc/14/56/57/343145657.db2.gz ZVTHGRSNXPNZKZ-UHFFFAOYSA-N 0 3 171.243 3.029 10 0 AGAEHN Cc1c([C@H](C)N)oc2c(C)cccc12 36928738 343154978 /nfs/dbraw/zinc/15/49/78/343154978.db2.gz UDMSHEDYKZHFRD-VIFPVBQESA-N 0 3 189.258 3.069 10 0 AGAEHN Cc1c([C@@H](C)N)oc2c(C)cccc12 36928737 343155175 /nfs/dbraw/zinc/15/51/75/343155175.db2.gz UDMSHEDYKZHFRD-SECBINFHSA-N 0 3 189.258 3.069 10 0 AGAEHN C[C@H](N)c1cc2cccc(Cl)c2o1 37034702 343157951 /nfs/dbraw/zinc/15/79/51/343157951.db2.gz GMBJVCKRTUEIRC-LURJTMIESA-N 0 3 195.649 3.106 10 0 AGAEHN C[C@H]1CCC[C@@H](Nc2ccncc2)C1 37255996 343164281 /nfs/dbraw/zinc/16/42/81/343164281.db2.gz BQTAYAZWDBPPOY-CMPLNLGQSA-N 0 3 190.290 3.072 10 0 AGAEHN Cc1ccc([C@H](N)CC2CCCC2)o1 43609708 343256515 /nfs/dbraw/zinc/25/65/15/343256515.db2.gz FGUAFZFDNHRUEP-LLVKDONJSA-N 0 3 193.290 3.168 10 0 AGAEHN Cc1ccc([C@@H](N)CC2CCCC2)o1 43609711 343256545 /nfs/dbraw/zinc/25/65/45/343256545.db2.gz FGUAFZFDNHRUEP-NSHDSACASA-N 0 3 193.290 3.168 10 0 AGAEHN Cc1ccsc1[C@@H](N)C(C)(C)C 44415616 343265548 /nfs/dbraw/zinc/26/55/48/343265548.db2.gz KIRUBJVMNOFYGM-SECBINFHSA-N 0 3 183.320 3.102 10 0 AGAEHN Cc1cc([C@H](N)C2=CCCC2)c(C)o1 50326901 343281378 /nfs/dbraw/zinc/28/13/78/343281378.db2.gz GOSDOKHEMXKPFO-GFCCVEGCSA-N 0 3 191.274 3.007 10 0 AGAEHN Cc1cc([C@@H](N)C2=CCCC2)c(C)o1 50326902 343281469 /nfs/dbraw/zinc/28/14/69/343281469.db2.gz GOSDOKHEMXKPFO-LBPRGKRZSA-N 0 3 191.274 3.007 10 0 AGAEHN Cc1ccsc1[C@H](N)C1=CCCC1 50326909 343281511 /nfs/dbraw/zinc/28/15/11/343281511.db2.gz ILAGBTRWBPUSAE-SNVBAGLBSA-N 0 3 193.315 3.167 10 0 AGAEHN Cc1ccc([C@H](N)C2=CCCC2)s1 50326907 343281522 /nfs/dbraw/zinc/28/15/22/343281522.db2.gz GALAXJWOGDVQAK-LLVKDONJSA-N 0 3 193.315 3.167 10 0 AGAEHN Cc1ccc([C@@H](N)C2=CCCC2)s1 50326908 343281533 /nfs/dbraw/zinc/28/15/33/343281533.db2.gz GALAXJWOGDVQAK-NSHDSACASA-N 0 3 193.315 3.167 10 0 AGAEHN Cc1ccsc1[C@@H](N)C1=CCCC1 50326910 343281544 /nfs/dbraw/zinc/28/15/44/343281544.db2.gz ILAGBTRWBPUSAE-JTQLQIEISA-N 0 3 193.315 3.167 10 0 AGAEHN CN[C@H](C1=CCCC1)c1ccccc1 50327408 343281783 /nfs/dbraw/zinc/28/17/83/343281783.db2.gz ISTOWRGEUGLFAQ-ZDUSSCGKSA-N 0 3 187.286 3.057 10 0 AGAEHN CCc1ccc([C@@H](N)C2CCCC2)o1 51726662 343292071 /nfs/dbraw/zinc/29/20/71/343292071.db2.gz UPMSEULMPKRCTD-LBPRGKRZSA-N 0 3 193.290 3.032 10 0 AGAEHN CCc1ccc([C@@H](N)CCC(C)C)o1 51726721 343292076 /nfs/dbraw/zinc/29/20/76/343292076.db2.gz MLRGNTJWDULJIJ-NSHDSACASA-N 0 3 195.306 3.278 10 0 AGAEHN CCCCC[C@H](N)c1ccc(CC)o1 51726746 343292091 /nfs/dbraw/zinc/29/20/91/343292091.db2.gz GWXYYQJYSUVCAX-NSHDSACASA-N 0 3 195.306 3.422 10 0 AGAEHN CCCCC[C@@H](N)c1ccc(CC)o1 51726748 343292133 /nfs/dbraw/zinc/29/21/33/343292133.db2.gz GWXYYQJYSUVCAX-LLVKDONJSA-N 0 3 195.306 3.422 10 0 AGAEHN CCCC[C@H](N)c1ccc(CC)o1 51726569 343292192 /nfs/dbraw/zinc/29/21/92/343292192.db2.gz BQLYPXZHUDGQIC-JTQLQIEISA-N 0 3 181.279 3.032 10 0 AGAEHN CCc1ccc([C@H](N)C2CCCC2)o1 51726660 343292226 /nfs/dbraw/zinc/29/22/26/343292226.db2.gz UPMSEULMPKRCTD-GFCCVEGCSA-N 0 3 193.290 3.032 10 0 AGAEHN CCc1ccc([C@H](N)CCC(C)C)o1 51726719 343292243 /nfs/dbraw/zinc/29/22/43/343292243.db2.gz MLRGNTJWDULJIJ-LLVKDONJSA-N 0 3 195.306 3.278 10 0 AGAEHN CCCC[C@@H](N)c1ccc(CC)o1 51726570 343292281 /nfs/dbraw/zinc/29/22/81/343292281.db2.gz BQLYPXZHUDGQIC-SNVBAGLBSA-N 0 3 181.279 3.032 10 0 AGAEHN C[C@H]1C[C@@H]1Nc1ccnc2ccccc12 52290690 343304487 /nfs/dbraw/zinc/30/44/87/343304487.db2.gz NBXOYBVSXOZKRZ-ZANVPECISA-N 0 3 198.269 3.055 10 0 AGAEHN C[C@H]1C[C@H]1Nc1ccnc2ccccc12 52290696 343304657 /nfs/dbraw/zinc/30/46/57/343304657.db2.gz NBXOYBVSXOZKRZ-TVQRCGJNSA-N 0 3 198.269 3.055 10 0 AGAEHN CN[C@H](c1ccccc1F)C(C)(C)C 52898094 343311467 /nfs/dbraw/zinc/31/14/67/343311467.db2.gz LKYNVUIKTBBQEG-LLVKDONJSA-N 0 3 195.281 3.132 10 0 AGAEHN CN[C@@H](c1ccccc1F)C(C)(C)C 52898096 343311627 /nfs/dbraw/zinc/31/16/27/343311627.db2.gz LKYNVUIKTBBQEG-NSHDSACASA-N 0 3 195.281 3.132 10 0 AGAEHN CCC(C)(C)[C@@H](N)c1sccc1C 54402962 343322947 /nfs/dbraw/zinc/32/29/47/343322947.db2.gz MPLZJBXDRMKOKL-JTQLQIEISA-N 0 3 197.347 3.493 10 0 AGAEHN CCC(C)(C)[C@@H](N)c1cccs1 54402328 343323061 /nfs/dbraw/zinc/32/30/61/343323061.db2.gz VIOQABNKBLLGND-VIFPVBQESA-N 0 3 183.320 3.184 10 0 AGAEHN CCC(C)(C)[C@H](N)c1sccc1C 54402961 343323163 /nfs/dbraw/zinc/32/31/63/343323163.db2.gz MPLZJBXDRMKOKL-SNVBAGLBSA-N 0 3 197.347 3.493 10 0 AGAEHN CCC(C)(C)[C@H](N)c1cccs1 54402327 343323184 /nfs/dbraw/zinc/32/31/84/343323184.db2.gz VIOQABNKBLLGND-SECBINFHSA-N 0 3 183.320 3.184 10 0 AGAEHN CCCCP1CCCCC1 59230243 343343328 /nfs/dbraw/zinc/34/33/28/343343328.db2.gz SUFLAGNMNCBHRT-UHFFFAOYSA-N 0 3 158.225 3.452 10 0 AGAEHN CC(C)CC[C@@H](C)NCc1ccoc1 62103303 343370587 /nfs/dbraw/zinc/37/05/87/343370587.db2.gz BPHSJPNRBPLVPX-LLVKDONJSA-N 0 3 195.306 3.194 10 0 AGAEHN CC(C)CC[C@H](C)NCc1ccoc1 62103304 343370598 /nfs/dbraw/zinc/37/05/98/343370598.db2.gz BPHSJPNRBPLVPX-NSHDSACASA-N 0 3 195.306 3.194 10 0 AGAEHN CCCC(=N)Nc1ccccc1F 62989152 343392004 /nfs/dbraw/zinc/39/20/04/343392004.db2.gz MHKAHWJARNDPMA-UHFFFAOYSA-N 0 3 180.226 3.015 10 0 AGAEHN CCC(=N)Nc1ccccc1Cl 62989129 343392024 /nfs/dbraw/zinc/39/20/24/343392024.db2.gz QZDCANCMEGRLQO-UHFFFAOYSA-N 0 3 182.654 3.139 10 0 AGAEHN CC(C)C(=N)Nc1ccccc1Cl 62989131 343392047 /nfs/dbraw/zinc/39/20/47/343392047.db2.gz ICEVNZJIHGDBMH-UHFFFAOYSA-N 0 3 196.681 3.385 10 0 AGAEHN Cc1ccc(NC(=N)C(C)C)c(F)c1 62989392 343392449 /nfs/dbraw/zinc/39/24/49/343392449.db2.gz MNLZCMMYJSRZTQ-UHFFFAOYSA-N 0 3 194.253 3.179 10 0 AGAEHN CCCC(=N)Nc1cc(C)ccc1F 62989501 343392504 /nfs/dbraw/zinc/39/25/04/343392504.db2.gz BQJXQYWKALNNPC-UHFFFAOYSA-N 0 3 194.253 3.323 10 0 AGAEHN CCCC(=N)Nc1ccc(F)cc1F 62989208 343392635 /nfs/dbraw/zinc/39/26/35/343392635.db2.gz PBCCTWHLNWGCMP-UHFFFAOYSA-N 0 3 198.216 3.154 10 0 AGAEHN CC(C)C[C@@H](N)c1cccc(F)c1F 69640692 343431153 /nfs/dbraw/zinc/43/11/53/343431153.db2.gz BBJCKVDWIDQGAJ-SNVBAGLBSA-N 0 3 199.244 3.011 10 0 AGAEHN CC(C)C[C@H](N)c1cccc(F)c1F 69640687 343431459 /nfs/dbraw/zinc/43/14/59/343431459.db2.gz BBJCKVDWIDQGAJ-JTQLQIEISA-N 0 3 199.244 3.011 10 0 AGAEHN CC(C)(C)[C@H](N)c1c(F)cccc1F 69759011 343439051 /nfs/dbraw/zinc/43/90/51/343439051.db2.gz DQKXSEPFFXWFJF-SNVBAGLBSA-N 0 3 199.244 3.011 10 0 AGAEHN CC(C)(C)[C@@H](N)c1c(F)cccc1F 69759012 343439086 /nfs/dbraw/zinc/43/90/86/343439086.db2.gz DQKXSEPFFXWFJF-JTQLQIEISA-N 0 3 199.244 3.011 10 0 AGAEHN C[C@@H]1CCC[C@H]([C@H](N)c2ccco2)C1 70559090 343490035 /nfs/dbraw/zinc/49/00/35/343490035.db2.gz DGZXMXOTJHZZJU-SCVCMEIPSA-N 0 3 193.290 3.106 10 0 AGAEHN C[C@@H]1CCC[C@@H]([C@H](N)c2ccco2)C1 70559092 343490282 /nfs/dbraw/zinc/49/02/82/343490282.db2.gz DGZXMXOTJHZZJU-FOGDFJRCSA-N 0 3 193.290 3.106 10 0 AGAEHN C[C@@H]1CCC[C@H](c2ccccc2F)N1 70709581 343526491 /nfs/dbraw/zinc/52/64/91/343526491.db2.gz PMNPMISFQSWMOB-BXKDBHETSA-N 0 3 193.265 3.029 10 0 AGAEHN C[C@H]1CCC[C@H](c2ccccc2F)N1 70709584 343526506 /nfs/dbraw/zinc/52/65/06/343526506.db2.gz PMNPMISFQSWMOB-JOYOIKCWSA-N 0 3 193.265 3.029 10 0 AGAEHN C[C@H]1CCC[C@@H](c2ccccc2F)N1 70709590 343526602 /nfs/dbraw/zinc/52/66/02/343526602.db2.gz PMNPMISFQSWMOB-CABZTGNLSA-N 0 3 193.265 3.029 10 0 AGAEHN C[C@@H]1CCC[C@@H](c2ccccc2F)N1 70709587 343526622 /nfs/dbraw/zinc/52/66/22/343526622.db2.gz PMNPMISFQSWMOB-SKDRFNHKSA-N 0 3 193.265 3.029 10 0 AGAEHN C(=C/N1CCCCC1)\c1ccccc1 95681532 343685558 /nfs/dbraw/zinc/68/55/58/343685558.db2.gz PAFMWEOWHZKACA-FMIVXFBMSA-N 0 3 187.286 3.143 10 0 AGAEHN CC(C)P(C1=CCC=C1)C(C)C 101166537 343722786 /nfs/dbraw/zinc/72/27/86/343722786.db2.gz UFSFUNFSNHHXGF-UHFFFAOYSA-N 0 3 181.239 3.330 10 0 AGAEHN CP(C)C1CCCCC1 113522656 343759121 /nfs/dbraw/zinc/75/91/21/343759121.db2.gz UIXNOFOTEDKIIH-UHFFFAOYSA-N 0 3 144.198 3.061 10 0 AGAEHN c1ccc(-n2ccc3cnccc32)cc1 115343250 343766686 /nfs/dbraw/zinc/76/66/86/343766686.db2.gz IBLOHSULAVPFBF-UHFFFAOYSA-N 0 3 194.237 3.026 10 0 AGAEHN Cc1ccoc1CN[C@H](C)C(C)(C)C 126814646 343797874 /nfs/dbraw/zinc/79/78/74/343797874.db2.gz HDVHOVHPJCSCST-SNVBAGLBSA-N 0 3 195.306 3.112 10 0 AGAEHN Cc1ccoc1CN[C@@H](C)C(C)(C)C 126814430 343797881 /nfs/dbraw/zinc/79/78/81/343797881.db2.gz HDVHOVHPJCSCST-JTQLQIEISA-N 0 3 195.306 3.112 10 0 AGAEHN Cc1oc(C)c([C@H](N)C(C)(C)C)c1C 126963656 343801307 /nfs/dbraw/zinc/80/13/07/343801307.db2.gz UGHZOGCHRCXWEF-NSHDSACASA-N 0 3 195.306 3.251 10 0 AGAEHN Cc1oc(C)c([C@@H](N)C(C)(C)C)c1C 126963874 343801660 /nfs/dbraw/zinc/80/16/60/343801660.db2.gz UGHZOGCHRCXWEF-LLVKDONJSA-N 0 3 195.306 3.251 10 0 AGAEHN CCC1([C@@H](N)c2ccoc2)CCCC1 127179280 343806074 /nfs/dbraw/zinc/80/60/74/343806074.db2.gz XVBWIEFKAZLBFD-NSHDSACASA-N 0 3 193.290 3.250 10 0 AGAEHN CCC1([C@H](N)c2ccoc2)CCCC1 127179057 343806258 /nfs/dbraw/zinc/80/62/58/343806258.db2.gz XVBWIEFKAZLBFD-LLVKDONJSA-N 0 3 193.290 3.250 10 0 AGAEHN C[C@H](N)c1cc2c(Cl)cccc2o1 128427991 343831443 /nfs/dbraw/zinc/83/14/43/343831443.db2.gz BZWCEKZCMLDYPW-LURJTMIESA-N 0 3 195.649 3.106 10 0 AGAEHN C[C@@H](N)c1cc2c(Cl)cccc2o1 128428212 343831517 /nfs/dbraw/zinc/83/15/17/343831517.db2.gz BZWCEKZCMLDYPW-ZCFIWIBFSA-N 0 3 195.649 3.106 10 0 AGAEHN N[C@@H](CC1=CCCCC1)c1ccoc1 128736328 343836596 /nfs/dbraw/zinc/83/65/96/343836596.db2.gz IPMONOIADCQTBD-LBPRGKRZSA-N 0 3 191.274 3.170 10 0 AGAEHN N[C@H](CC1=CCCCC1)c1ccoc1 128736120 343836949 /nfs/dbraw/zinc/83/69/49/343836949.db2.gz IPMONOIADCQTBD-GFCCVEGCSA-N 0 3 191.274 3.170 10 0 AGAEHN CC1([C@@H](N)c2ccsc2)CCCC1 129191596 343845617 /nfs/dbraw/zinc/84/56/17/343845617.db2.gz OAOYEQJSFYHRFW-JTQLQIEISA-N 0 3 195.331 3.328 10 0 AGAEHN CC1([C@H](N)c2ccsc2)CCCC1 129191386 343845826 /nfs/dbraw/zinc/84/58/26/343845826.db2.gz OAOYEQJSFYHRFW-SNVBAGLBSA-N 0 3 195.331 3.328 10 0 AGAEHN CC(C)=C[C@@H](N)c1cc(C)ccc1F 131044116 343879341 /nfs/dbraw/zinc/87/93/41/343879341.db2.gz YQHSDRGRPYKSQY-GFCCVEGCSA-N 0 3 193.265 3.100 10 0 AGAEHN CC(C)=C[C@H](N)c1cc(C)ccc1F 131044304 343879550 /nfs/dbraw/zinc/87/95/50/343879550.db2.gz YQHSDRGRPYKSQY-LBPRGKRZSA-N 0 3 193.265 3.100 10 0 AGAEHN CC(C)=C[C@H](N)c1c(C)oc(C)c1C 131076939 343879733 /nfs/dbraw/zinc/87/97/33/343879733.db2.gz PRLUVWVBJQTUGP-NSHDSACASA-N 0 3 193.290 3.171 10 0 AGAEHN CC(C)=C[C@@H](N)c1c(C)oc(C)c1C 131076727 343879953 /nfs/dbraw/zinc/87/99/53/343879953.db2.gz PRLUVWVBJQTUGP-LLVKDONJSA-N 0 3 193.290 3.171 10 0 AGAEHN CC(C)=C[C@@H](N)c1ccc(C)cc1F 131110239 343880130 /nfs/dbraw/zinc/88/01/30/343880130.db2.gz RWLQZHRWKWKIFO-GFCCVEGCSA-N 0 3 193.265 3.100 10 0 AGAEHN CC(C)=C[C@H](N)c1ccc(C)cc1F 131110442 343880158 /nfs/dbraw/zinc/88/01/58/343880158.db2.gz RWLQZHRWKWKIFO-LBPRGKRZSA-N 0 3 193.265 3.100 10 0 AGAEHN CC(C)=C[C@H](N)c1sccc1C 131148309 343880464 /nfs/dbraw/zinc/88/04/64/343880464.db2.gz SNGVTFNJQVZWJF-VIFPVBQESA-N 0 3 181.304 3.023 10 0 AGAEHN CC(C)=C[C@@H](N)c1sccc1C 131148092 343880832 /nfs/dbraw/zinc/88/08/32/343880832.db2.gz SNGVTFNJQVZWJF-SECBINFHSA-N 0 3 181.304 3.023 10 0 AGAEHN CCc1ccccc1[C@@H](N)C=C(C)C 131169382 343881191 /nfs/dbraw/zinc/88/11/91/343881191.db2.gz JHHMCMMWHKSBRN-ZDUSSCGKSA-N 0 3 189.302 3.215 10 0 AGAEHN CC(C)=C[C@@H](N)c1cc(C)c(C)s1 131170444 343881590 /nfs/dbraw/zinc/88/15/90/343881590.db2.gz DOXUFMSYMPLPJK-SNVBAGLBSA-N 0 3 195.331 3.331 10 0 AGAEHN CCc1ccccc1[C@H](N)C=C(C)C 131169175 343881461 /nfs/dbraw/zinc/88/14/61/343881461.db2.gz JHHMCMMWHKSBRN-CYBMUJFWSA-N 0 3 189.302 3.215 10 0 AGAEHN CC(C)=C[C@H](N)c1cc(C)c(C)s1 131170665 343881580 /nfs/dbraw/zinc/88/15/80/343881580.db2.gz DOXUFMSYMPLPJK-JTQLQIEISA-N 0 3 195.331 3.331 10 0 AGAEHN CC(C)=C[C@@H](N)c1ccc(C)s1 131199361 343882036 /nfs/dbraw/zinc/88/20/36/343882036.db2.gz XNVNYRJJYWWVGE-SECBINFHSA-N 0 3 181.304 3.023 10 0 AGAEHN CC(C)=C[C@H](N)c1ccc(C)s1 131199576 343882493 /nfs/dbraw/zinc/88/24/93/343882493.db2.gz XNVNYRJJYWWVGE-VIFPVBQESA-N 0 3 181.304 3.023 10 0 AGAEHN NCc1cscc1C1CCCCC1 132774014 343903788 /nfs/dbraw/zinc/90/37/88/343903788.db2.gz ZRDZLBMLDCHLHT-UHFFFAOYSA-N 0 3 195.331 3.255 10 0 AGAEHN NCc1csc(C2CCCCC2)c1 132779026 343903812 /nfs/dbraw/zinc/90/38/12/343903812.db2.gz VOQSZADDUNZKJT-UHFFFAOYSA-N 0 3 195.331 3.255 10 0 AGAEHN CC[C@H]1CCCc2scc(CN)c21 132774705 343903822 /nfs/dbraw/zinc/90/38/22/343903822.db2.gz PBGXMRRXJBOEOZ-QMMMGPOBSA-N 0 3 195.331 3.037 10 0 AGAEHN CC[C@@H]1CCCc2scc(CN)c21 132774527 343903832 /nfs/dbraw/zinc/90/38/32/343903832.db2.gz PBGXMRRXJBOEOZ-MRVPVSSYSA-N 0 3 195.331 3.037 10 0 AGAEHN CCN[C@@H](C)c1ccc(C)cc1Cl 135039297 343953436 /nfs/dbraw/zinc/95/34/36/343953436.db2.gz KVZKSWKQTZYACD-VIFPVBQESA-N 0 3 197.709 3.319 10 0 AGAEHN CCN[C@H](C)c1ccc(C)cc1Cl 135039317 343953541 /nfs/dbraw/zinc/95/35/41/343953541.db2.gz KVZKSWKQTZYACD-SECBINFHSA-N 0 3 197.709 3.319 10 0 AGAEHN CNc1ccncc1-c1ccccc1C 138820581 343990314 /nfs/dbraw/zinc/99/03/14/343990314.db2.gz FIEHZAKKSDHCAY-UHFFFAOYSA-N 0 3 198.269 3.099 10 0 AGAEHN F[C@]1(CC2CCCCC2)CCCNC1 158100420 344118716 /nfs/dbraw/zinc/11/87/16/344118716.db2.gz UDFGGPLHZRUVQT-LBPRGKRZSA-N 0 3 199.313 3.049 10 0 AGAEHN F[C@@]1(CC2CCCCC2)CCCNC1 158100279 344118862 /nfs/dbraw/zinc/11/88/62/344118862.db2.gz UDFGGPLHZRUVQT-GFCCVEGCSA-N 0 3 199.313 3.049 10 0 AGAEHN F[C@]1(C2CCCCCC2)CCCNC1 158100132 344118879 /nfs/dbraw/zinc/11/88/79/344118879.db2.gz JJQUUAKUSICEHA-GFCCVEGCSA-N 0 3 199.313 3.049 10 0 AGAEHN F[C@@]1(C2CCCCCC2)CCCNC1 158099976 344118883 /nfs/dbraw/zinc/11/88/83/344118883.db2.gz JJQUUAKUSICEHA-LBPRGKRZSA-N 0 3 199.313 3.049 10 0 AGAEHN CC[C@@](F)(CN)C1CCCCCC1 158353717 344124714 /nfs/dbraw/zinc/12/47/14/344124714.db2.gz MVXZKSFUJXQGQV-LLVKDONJSA-N 0 3 187.302 3.034 10 0 AGAEHN CC[C@](F)(CN)C1CCCCCC1 158353870 344125114 /nfs/dbraw/zinc/12/51/14/344125114.db2.gz MVXZKSFUJXQGQV-NSHDSACASA-N 0 3 187.302 3.034 10 0 AGAEHN NC[C@@](F)(C1CCCCCC1)C1CC1 158418911 344126470 /nfs/dbraw/zinc/12/64/70/344126470.db2.gz BYOOLRUMONWGRM-GFCCVEGCSA-N 0 3 199.313 3.034 10 0 AGAEHN NC[C@](F)(C1CCCCCC1)C1CC1 158418771 344126508 /nfs/dbraw/zinc/12/65/08/344126508.db2.gz BYOOLRUMONWGRM-LBPRGKRZSA-N 0 3 199.313 3.034 10 0 AGAEHN Cc1ccc([C@H](C)NC2CC(C)C2)o1 161780222 344197359 /nfs/dbraw/zinc/19/73/59/344197359.db2.gz LRBYNDJZXOECQB-JZQLECPJSA-N 0 3 193.290 3.037 10 0 AGAEHN Cc1ccc([C@@H](C)NC2CC(C)C2)o1 161780102 344197584 /nfs/dbraw/zinc/19/75/84/344197584.db2.gz LRBYNDJZXOECQB-LDGBHUKOSA-N 0 3 193.290 3.037 10 0 AGAEHN CC(C)=C[C@@H](N)c1cc(C)cc(F)c1 162589526 344210200 /nfs/dbraw/zinc/21/02/00/344210200.db2.gz HAVPBUHSVGNPMN-GFCCVEGCSA-N 0 3 193.265 3.100 10 0 AGAEHN CC(C)=C[C@H](N)c1cc(C)cc(F)c1 162589652 344210369 /nfs/dbraw/zinc/21/03/69/344210369.db2.gz HAVPBUHSVGNPMN-LBPRGKRZSA-N 0 3 193.265 3.100 10 0 AGAEHN C[C@@H](CNc1ccncc1)C(C)(C)C 163029751 344218128 /nfs/dbraw/zinc/21/81/28/344218128.db2.gz LYBNQYVEGAFXBT-JTQLQIEISA-N 0 3 192.306 3.176 10 0 AGAEHN C[C@H](CNc1ccncc1)C(C)(C)C 163029866 344218308 /nfs/dbraw/zinc/21/83/08/344218308.db2.gz LYBNQYVEGAFXBT-SNVBAGLBSA-N 0 3 192.306 3.176 10 0 AGAEHN CC[C@@H](N)c1cc2sccc2s1 166875866 344291512 /nfs/dbraw/zinc/29/15/12/344291512.db2.gz ROWNOKQCEDLPHD-ZCFIWIBFSA-N 0 3 197.328 3.373 10 0 AGAEHN CC[C@H]1CCN[C@@H](c2ccc(C)o2)C1 167574211 344308171 /nfs/dbraw/zinc/30/81/71/344308171.db2.gz IQBYLEJNJKEEFA-WDEREUQCSA-N 0 3 193.290 3.039 10 0 AGAEHN CC[C@@H]1CCN[C@@H](c2ccc(C)o2)C1 167574107 344308222 /nfs/dbraw/zinc/30/82/22/344308222.db2.gz IQBYLEJNJKEEFA-GHMZBOCLSA-N 0 3 193.290 3.039 10 0 AGAEHN CC[C@@H]1CCN[C@H](c2ccc(C)o2)C1 167573878 344308229 /nfs/dbraw/zinc/30/82/29/344308229.db2.gz IQBYLEJNJKEEFA-MNOVXSKESA-N 0 3 193.290 3.039 10 0 AGAEHN CC[C@H]1CCN[C@H](c2ccc(C)o2)C1 167573996 344308241 /nfs/dbraw/zinc/30/82/41/344308241.db2.gz IQBYLEJNJKEEFA-QWRGUYRKSA-N 0 3 193.290 3.039 10 0 AGAEHN CN1CCCC2=C1CCc1ccccc12 215316053 344388368 /nfs/dbraw/zinc/38/83/68/344388368.db2.gz YTGXDEOCQYGRPK-UHFFFAOYSA-N 0 3 199.297 3.070 10 0 AGAEHN CN1CCC[C@@H]1c1ccccc1Cl 218221770 344410606 /nfs/dbraw/zinc/41/06/06/344410606.db2.gz IIPXKRUCKNKVMM-LLVKDONJSA-N 0 3 195.693 3.107 10 0 AGAEHN CN(C)[C@H](C1=CCC=C1)c1ccccc1 221405993 344442761 /nfs/dbraw/zinc/44/27/61/344442761.db2.gz PRWBLDOVLRNWBW-AWEZNQCLSA-N 0 3 198.289 3.057 10 0 AGAEHN C[C@@H]1CCC[C@@H]([C@@H](N)c2ccco2)C1 225903169 344489438 /nfs/dbraw/zinc/48/94/38/344489438.db2.gz DGZXMXOTJHZZJU-CKYFFXLPSA-N 0 3 193.290 3.106 10 0 AGAEHN C[C@@H]1CCC[C@H]([C@@H](N)c2ccco2)C1 225903196 344489654 /nfs/dbraw/zinc/48/96/54/344489654.db2.gz DGZXMXOTJHZZJU-JFGNBEQYSA-N 0 3 193.290 3.106 10 0 AGAEHN C[C@H]1CCS[C@]2(CCC[C@@H](C)C2)N1 226583867 344507208 /nfs/dbraw/zinc/50/72/08/344507208.db2.gz SPAWNDHZOMQKTI-VWYCJHECSA-N 0 3 199.363 3.008 10 0 AGAEHN C[C@H]1CCCC[C@]12NCC[C@@H](C)S2 226587039 344507241 /nfs/dbraw/zinc/50/72/41/344507241.db2.gz UVMPXAVNJUOFKV-HBNTYKKESA-N 0 3 199.363 3.008 10 0 AGAEHN CC[C@@H]1CC[C@@]2(C1)NCC[C@@H](C)S2 226589141 344507248 /nfs/dbraw/zinc/50/72/48/344507248.db2.gz KXCFLTVQNXIQDO-GMTAPVOTSA-N 0 3 199.363 3.008 10 0 AGAEHN C[C@@H]1CCC[C@]2(C1)NCC[C@@H](C)S2 226590534 344507728 /nfs/dbraw/zinc/50/77/28/344507728.db2.gz QMNFNGNHFKHBSH-MXWKQRLJSA-N 0 3 199.363 3.008 10 0 AGAEHN C[C@@H]1CCC[C@@]2(C1)NCC[C@@H](C)S2 226590523 344507819 /nfs/dbraw/zinc/50/78/19/344507819.db2.gz QMNFNGNHFKHBSH-GMTAPVOTSA-N 0 3 199.363 3.008 10 0 AGAEHN CC[C@@H](N)c1cc(C)c(Cl)s1 226662726 344509561 /nfs/dbraw/zinc/50/95/61/344509561.db2.gz YNPFLCCFCFIVRC-ZCFIWIBFSA-N 0 3 189.711 3.120 10 0 AGAEHN CC[C@H](N)c1cc(C)c(Cl)s1 226662733 344509791 /nfs/dbraw/zinc/50/97/91/344509791.db2.gz YNPFLCCFCFIVRC-LURJTMIESA-N 0 3 189.711 3.120 10 0 AGAEHN CC[C@@H]1CCC[C@]12NCC[C@@H](C)S2 229666034 344610009 /nfs/dbraw/zinc/61/00/09/344610009.db2.gz QTOKYUGEXKPMNP-GMTAPVOTSA-N 0 3 199.363 3.008 10 0 AGAEHN C[C@H]1CCN[C@](C)(CC2CCC2)S1 229753432 344614371 /nfs/dbraw/zinc/61/43/71/344614371.db2.gz SEWNXJDYWWVGFN-ONGXEEELSA-N 0 3 199.363 3.008 10 0 AGAEHN C[C@@H]1CCS[C@](C)(CC2CCC2)N1 229753327 344614464 /nfs/dbraw/zinc/61/44/64/344614464.db2.gz VFPPYQCDJWSKEQ-MWLCHTKSSA-N 0 3 199.363 3.008 10 0 AGAEHN C[C@@H]1CCN[C@](C)(CC2CCC2)S1 229753427 344614545 /nfs/dbraw/zinc/61/45/45/344614545.db2.gz SEWNXJDYWWVGFN-KOLCDFICSA-N 0 3 199.363 3.008 10 0 AGAEHN C[C@H]1CCS[C@](C)(CC2CCC2)N1 229753333 344614551 /nfs/dbraw/zinc/61/45/51/344614551.db2.gz VFPPYQCDJWSKEQ-GXSJLCMTSA-N 0 3 199.363 3.008 10 0 AGAEHN C[C@@H]1CCN[C@@](C)(CC2CCC2)S1 229753416 344614567 /nfs/dbraw/zinc/61/45/67/344614567.db2.gz SEWNXJDYWWVGFN-MWLCHTKSSA-N 0 3 199.363 3.008 10 0 AGAEHN C[C@H]1CCN[C@@](C)(CC2CCC2)S1 229753420 344614688 /nfs/dbraw/zinc/61/46/88/344614688.db2.gz SEWNXJDYWWVGFN-GXSJLCMTSA-N 0 3 199.363 3.008 10 0 AGAEHN CCN[C@H](C)c1csc(Cl)c1 230407285 344634989 /nfs/dbraw/zinc/63/49/89/344634989.db2.gz FWFRVXPBAMKCON-ZCFIWIBFSA-N 0 3 189.711 3.072 10 0 AGAEHN CCN[C@@H](C)c1csc(Cl)c1 230407281 344635035 /nfs/dbraw/zinc/63/50/35/344635035.db2.gz FWFRVXPBAMKCON-LURJTMIESA-N 0 3 189.711 3.072 10 0 AGAEHN CCC(C)(CC)Nc1ccncc1 230962754 344646792 /nfs/dbraw/zinc/64/67/92/344646792.db2.gz CHZXUOSTFMVMMX-UHFFFAOYSA-N 0 3 178.279 3.072 10 0 AGAEHN CO[C@H](C(C)=N)c1c(C)cccc1C 231418778 344653124 /nfs/dbraw/zinc/65/31/24/344653124.db2.gz HWTDEERWDQAGBX-GFCCVEGCSA-N 0 3 191.274 3.031 10 0 AGAEHN CCC(=N)Nc1cc(C)ccc1Cl 232253811 344673305 /nfs/dbraw/zinc/67/33/05/344673305.db2.gz HXOIFVBBYCWJCS-UHFFFAOYSA-N 0 3 196.681 3.448 10 0 AGAEHN CC(C)(C)[C@@](F)(CN)C1=CCCCC1 232501399 344680387 /nfs/dbraw/zinc/68/03/87/344680387.db2.gz NODZAOGLEJXXAN-GFCCVEGCSA-N 0 3 199.313 3.200 10 0 AGAEHN CC(C)(C)[C@](F)(CN)C1=CCCCC1 232511099 344680520 /nfs/dbraw/zinc/68/05/20/344680520.db2.gz NODZAOGLEJXXAN-LBPRGKRZSA-N 0 3 199.313 3.200 10 0 AGAEHN CCC(=N)Nc1cc(F)c(C)cc1F 232833045 344694187 /nfs/dbraw/zinc/69/41/87/344694187.db2.gz MHFSCVDEIUWORT-UHFFFAOYSA-N 0 3 198.216 3.072 10 0 AGAEHN CCC[C@@]1(CC)N[C@@H](C)CCS1 233317927 344700813 /nfs/dbraw/zinc/70/08/13/344700813.db2.gz APHQTQLIJCXHJT-UWVGGRQHSA-N 0 3 187.352 3.008 10 0 AGAEHN CCC[C@]1(CC)N[C@@H](C)CCS1 233367004 344701051 /nfs/dbraw/zinc/70/10/51/344701051.db2.gz APHQTQLIJCXHJT-VHSXEESVSA-N 0 3 187.352 3.008 10 0 AGAEHN CCC[C@]1(CC)N[C@H](C)CCS1 233367068 344701253 /nfs/dbraw/zinc/70/12/53/344701253.db2.gz APHQTQLIJCXHJT-NXEZZACHSA-N 0 3 187.352 3.008 10 0 AGAEHN N[C@H](c1ccoc1Cl)C1CCCC1 236291836 344779831 /nfs/dbraw/zinc/77/98/31/344779831.db2.gz JAAPKFVZQCYUFI-VIFPVBQESA-N 0 3 199.681 3.123 10 0 AGAEHN N[C@@H](c1ccoc1Cl)C1CCCC1 236306597 344780249 /nfs/dbraw/zinc/78/02/49/344780249.db2.gz JAAPKFVZQCYUFI-SECBINFHSA-N 0 3 199.681 3.123 10 0 AGAEHN N[C@@H](CC1CCC1)c1ccoc1Cl 236297922 344780521 /nfs/dbraw/zinc/78/05/21/344780521.db2.gz IOYMFZBLZROYQQ-VIFPVBQESA-N 0 3 199.681 3.123 10 0 AGAEHN N[C@H](CC1CCC1)c1ccoc1Cl 236313339 344780765 /nfs/dbraw/zinc/78/07/65/344780765.db2.gz IOYMFZBLZROYQQ-SECBINFHSA-N 0 3 199.681 3.123 10 0 AGAEHN NCc1ccc(C2=CCCCC2)s1 238620796 344816100 /nfs/dbraw/zinc/81/61/00/344816100.db2.gz WKELDUJNGPZJAU-UHFFFAOYSA-N 0 3 193.315 3.164 10 0 AGAEHN C[C@@H]1CCN[C@@]2(CCCC[C@H]2C)S1 252204507 344891463 /nfs/dbraw/zinc/89/14/63/344891463.db2.gz UVMPXAVNJUOFKV-MXWKQRLJSA-N 0 3 199.363 3.008 10 0 AGAEHN C[C@@H]1CCN[C@]2(CCCC[C@H]2C)S1 252204506 344891776 /nfs/dbraw/zinc/89/17/76/344891776.db2.gz UVMPXAVNJUOFKV-GMTAPVOTSA-N 0 3 199.363 3.008 10 0 AGAEHN CC[C@@H]1CCC[C@@]12N[C@H](C)CCS2 252943158 344920737 /nfs/dbraw/zinc/92/07/37/344920737.db2.gz KIYTYKYDDRRQNV-MXWKQRLJSA-N 0 3 199.363 3.008 10 0 AGAEHN CC[C@@H]1CCC[C@@]12NCC[C@H](C)S2 252954652 344921798 /nfs/dbraw/zinc/92/17/98/344921798.db2.gz QTOKYUGEXKPMNP-AXFHLTTASA-N 0 3 199.363 3.008 10 0 AGAEHN CC[C@@H]1CCC[C@]12NCC[C@H](C)S2 252954653 344921935 /nfs/dbraw/zinc/92/19/35/344921935.db2.gz QTOKYUGEXKPMNP-HBNTYKKESA-N 0 3 199.363 3.008 10 0 AGAEHN F[C@@]1(CCC2CCCC2)CCCNC1 300730238 344984182 /nfs/dbraw/zinc/98/41/82/344984182.db2.gz FLJAYOKVLUOLLT-GFCCVEGCSA-N 0 3 199.313 3.049 10 0 AGAEHN F[C@]1(CCC2CCCC2)CCCNC1 300730239 344984227 /nfs/dbraw/zinc/98/42/27/344984227.db2.gz FLJAYOKVLUOLLT-LBPRGKRZSA-N 0 3 199.313 3.049 10 0 AGAEHN CCCCC[C@@H](N)c1cc(C)c(C)o1 300933425 345014858 /nfs/dbraw/zinc/01/48/58/345014858.db2.gz WKSCRMJMPVCRFV-LLVKDONJSA-N 0 3 195.306 3.477 10 0 AGAEHN CCCCC[C@H](N)c1cc(C)c(C)o1 300933428 345014989 /nfs/dbraw/zinc/01/49/89/345014989.db2.gz WKSCRMJMPVCRFV-NSHDSACASA-N 0 3 195.306 3.477 10 0 AGAEHN CCCC(=N)Nc1cccc(C)c1F 300967182 345019938 /nfs/dbraw/zinc/01/99/38/345019938.db2.gz OSTSWXLJDNSCGW-UHFFFAOYSA-N 0 3 194.253 3.323 10 0 AGAEHN Cc1ccc([C@H](F)C(C)(C)N)cc1C 306179235 345070777 /nfs/dbraw/zinc/07/07/77/345070777.db2.gz ZURJJUVIQQYEAB-NSHDSACASA-N 0 3 195.281 3.051 10 0 AGAEHN Cc1ccc([C@@H](F)C(C)(C)N)cc1C 306179234 345070824 /nfs/dbraw/zinc/07/08/24/345070824.db2.gz ZURJJUVIQQYEAB-LLVKDONJSA-N 0 3 195.281 3.051 10 0 AGAEHN CCC1([C@@H](N)c2ccccc2F)CC1 306183781 345074549 /nfs/dbraw/zinc/07/45/49/345074549.db2.gz ANQCVLUWBDDKDC-NSHDSACASA-N 0 3 193.265 3.016 10 0 AGAEHN CCC1([C@@H](N)c2cc(C)oc2C)CC1 306223997 345117018 /nfs/dbraw/zinc/11/70/18/345117018.db2.gz CYJKFBQIPLGAGQ-NSHDSACASA-N 0 3 193.290 3.086 10 0 AGAEHN CCC1([C@H](N)c2cc(C)oc2C)CC1 306223995 345117109 /nfs/dbraw/zinc/11/71/09/345117109.db2.gz CYJKFBQIPLGAGQ-LLVKDONJSA-N 0 3 193.290 3.086 10 0 AGAEHN NCc1cc(C2=CCCCC2)cs1 306253969 345145314 /nfs/dbraw/zinc/14/53/14/345145314.db2.gz NRNCHCGLDPVUJA-UHFFFAOYSA-N 0 3 193.315 3.164 10 0 AGAEHN NCc1sccc1C1=CCCCC1 306257755 345148858 /nfs/dbraw/zinc/14/88/58/345148858.db2.gz RATDMNGPRZMQBG-UHFFFAOYSA-N 0 3 193.315 3.164 10 0 AGAEHN Fc1ccsc1[C@H]1CCCCCN1 306326832 345203928 /nfs/dbraw/zinc/20/39/28/345203928.db2.gz UMTOTORGYPHEBZ-SECBINFHSA-N 0 3 199.294 3.092 10 0 AGAEHN Fc1ccsc1[C@@H]1CCCCCN1 306326834 345204075 /nfs/dbraw/zinc/20/40/75/345204075.db2.gz UMTOTORGYPHEBZ-VIFPVBQESA-N 0 3 199.294 3.092 10 0 AGAEHN CC[C@]1(C2CCC2)N[C@@H](C)CCS1 306372255 345240253 /nfs/dbraw/zinc/24/02/53/345240253.db2.gz HZTZXRDHPHJOJN-ONGXEEELSA-N 0 3 199.363 3.008 10 0 AGAEHN CC[C@]1(C2CCC2)N[C@H](C)CCS1 306372253 345240313 /nfs/dbraw/zinc/24/03/13/345240313.db2.gz HZTZXRDHPHJOJN-KOLCDFICSA-N 0 3 199.363 3.008 10 0 AGAEHN CC[C@@]1(C2CCC2)N[C@H](C)CCS1 306372254 345240409 /nfs/dbraw/zinc/24/04/09/345240409.db2.gz HZTZXRDHPHJOJN-MWLCHTKSSA-N 0 3 199.363 3.008 10 0 AGAEHN CC[C@@]1(C2CCC2)N[C@@H](C)CCS1 306372251 345240529 /nfs/dbraw/zinc/24/05/29/345240529.db2.gz HZTZXRDHPHJOJN-GXSJLCMTSA-N 0 3 199.363 3.008 10 0 AGAEHN CC1(C)CN[C@@H]1c1ccccc1Cl 306424488 345281761 /nfs/dbraw/zinc/28/17/61/345281761.db2.gz KUBWPVQMPCIHNV-SNVBAGLBSA-N 0 3 195.693 3.011 10 0 AGAEHN CC1(C)CN[C@H]1c1ccccc1Cl 306424486 345281790 /nfs/dbraw/zinc/28/17/90/345281790.db2.gz KUBWPVQMPCIHNV-JTQLQIEISA-N 0 3 195.693 3.011 10 0 AGAEHN C[C@H](NC1CC(C)(C)C1)c1ccco1 306428860 345285710 /nfs/dbraw/zinc/28/57/10/345285710.db2.gz AJNPDRIBDOTSMX-VIFPVBQESA-N 0 3 193.290 3.119 10 0 AGAEHN CC[C@@]1(C2CCC2)NCC[C@H](C)S1 306487047 345357122 /nfs/dbraw/zinc/35/71/22/345357122.db2.gz INRBWZGDHCCBFJ-GXSJLCMTSA-N 0 3 199.363 3.008 10 0 AGAEHN CC[C@]1(C2CCC2)NCC[C@H](C)S1 306487080 345357372 /nfs/dbraw/zinc/35/73/72/345357372.db2.gz INRBWZGDHCCBFJ-ONGXEEELSA-N 0 3 199.363 3.008 10 0 AGAEHN CC[C@]1(C2CCC2)NCC[C@@H](C)S1 306487059 345357384 /nfs/dbraw/zinc/35/73/84/345357384.db2.gz INRBWZGDHCCBFJ-KOLCDFICSA-N 0 3 199.363 3.008 10 0 AGAEHN Cc1ccc([C@H](N)C(C)(C)F)cc1C 306498370 345372183 /nfs/dbraw/zinc/37/21/83/345372183.db2.gz FCODPISYWWMUCH-NSHDSACASA-N 0 3 195.281 3.051 10 0 AGAEHN Cc1ccc([C@@H](N)C(C)(C)F)cc1C 306498369 345372238 /nfs/dbraw/zinc/37/22/38/345372238.db2.gz FCODPISYWWMUCH-LLVKDONJSA-N 0 3 195.281 3.051 10 0 AGAEHN C[C@@H]1CCS[C@@H](CC2CCCC2)N1 306560530 345436617 /nfs/dbraw/zinc/43/66/17/345436617.db2.gz RRRPTXLBERXPSQ-KOLCDFICSA-N 0 3 199.363 3.008 10 0 AGAEHN C[C@H]1CCS[C@H](CC2CCCC2)N1 306560529 345436662 /nfs/dbraw/zinc/43/66/62/345436662.db2.gz RRRPTXLBERXPSQ-GXSJLCMTSA-N 0 3 199.363 3.008 10 0 AGAEHN C[C@@H]1CCS[C@H](CC2CCCC2)N1 306560531 345436720 /nfs/dbraw/zinc/43/67/20/345436720.db2.gz RRRPTXLBERXPSQ-MWLCHTKSSA-N 0 3 199.363 3.008 10 0 AGAEHN CC(C)(C)C(C)(C)[C@@H](N)c1ccoc1 306582522 345459979 /nfs/dbraw/zinc/45/99/79/345459979.db2.gz DJUWJETUEBMYDP-JTQLQIEISA-N 0 3 195.306 3.352 10 0 AGAEHN CC(C)(C)C(C)(C)[C@H](N)c1ccoc1 306582523 345460058 /nfs/dbraw/zinc/46/00/58/345460058.db2.gz DJUWJETUEBMYDP-SNVBAGLBSA-N 0 3 195.306 3.352 10 0 AGAEHN NCc1csc(C2=CCCCC2)c1 306596939 345473539 /nfs/dbraw/zinc/47/35/39/345473539.db2.gz ZCYLCFYXROOKOV-UHFFFAOYSA-N 0 3 193.315 3.164 10 0 AGAEHN Cl/C=C/CN[C@@H]1CC12CCCCC2 306644082 345512867 /nfs/dbraw/zinc/51/28/67/345512867.db2.gz YLWILLSYTRXRHP-LJJSCBMDSA-N 0 3 199.725 3.051 10 0 AGAEHN Cl/C=C/CN[C@H]1CC12CCCCC2 306644083 345513024 /nfs/dbraw/zinc/51/30/24/345513024.db2.gz YLWILLSYTRXRHP-QBBOHKLWSA-N 0 3 199.725 3.051 10 0 AGAEHN CC1([C@H]2NCCCS2)CCCCC1 306669990 345531752 /nfs/dbraw/zinc/53/17/52/345531752.db2.gz BZBYNSTUARMWBZ-JTQLQIEISA-N 0 3 199.363 3.009 10 0 AGAEHN CC1([C@@H]2NCCCS2)CCCCC1 306669992 345531882 /nfs/dbraw/zinc/53/18/82/345531882.db2.gz BZBYNSTUARMWBZ-SNVBAGLBSA-N 0 3 199.363 3.009 10 0 AGAEHN CCN[C@@H](C)c1ccsc1Cl 306724349 345574878 /nfs/dbraw/zinc/57/48/78/345574878.db2.gz IOFSUSYMBXANCB-LURJTMIESA-N 0 3 189.711 3.072 10 0 AGAEHN CCN[C@H](C)c1ccsc1Cl 306724350 345574904 /nfs/dbraw/zinc/57/49/04/345574904.db2.gz IOFSUSYMBXANCB-ZCFIWIBFSA-N 0 3 189.711 3.072 10 0 AGAEHN CC(C)=C[C@@H](N)c1cc(C)cs1 306808695 345628431 /nfs/dbraw/zinc/62/84/31/345628431.db2.gz PVCCRQLPVWYLGH-SECBINFHSA-N 0 3 181.304 3.023 10 0 AGAEHN CC(C)=C[C@H](N)c1cc(C)cs1 306808696 345628691 /nfs/dbraw/zinc/62/86/91/345628691.db2.gz PVCCRQLPVWYLGH-VIFPVBQESA-N 0 3 181.304 3.023 10 0 AGAEHN CC1(C[C@H](N)c2cccs2)CCC1 306847554 345654960 /nfs/dbraw/zinc/65/49/60/345654960.db2.gz LMMRUEMCWWYWEZ-VIFPVBQESA-N 0 3 195.331 3.328 10 0 AGAEHN CC1(C[C@@H](N)c2cccs2)CCC1 306847553 345655065 /nfs/dbraw/zinc/65/50/65/345655065.db2.gz LMMRUEMCWWYWEZ-SECBINFHSA-N 0 3 195.331 3.328 10 0 AGAEHN N[C@H](c1sccc1F)C1CCCC1 306871724 345670657 /nfs/dbraw/zinc/67/06/57/345670657.db2.gz XYKBIIHKYHAYPP-VIFPVBQESA-N 0 3 199.294 3.077 10 0 AGAEHN N[C@@H](c1sccc1F)C1CCCC1 306871723 345670663 /nfs/dbraw/zinc/67/06/63/345670663.db2.gz XYKBIIHKYHAYPP-SECBINFHSA-N 0 3 199.294 3.077 10 0 AGAEHN CC1([C@@H]2NCCS2)CCCCCC1 306935188 345706773 /nfs/dbraw/zinc/70/67/73/345706773.db2.gz IASKXGUTTMWJDZ-SNVBAGLBSA-N 0 3 199.363 3.009 10 0 AGAEHN CC1([C@H]2NCCS2)CCCCCC1 306935187 345706834 /nfs/dbraw/zinc/70/68/34/345706834.db2.gz IASKXGUTTMWJDZ-JTQLQIEISA-N 0 3 199.363 3.009 10 0 AGAEHN Cc1cscc1NC(=N)C(C)(C)C 307001847 345744211 /nfs/dbraw/zinc/74/42/11/345744211.db2.gz CDIKRUCSVBPSHM-UHFFFAOYSA-N 0 3 196.319 3.492 10 0 AGAEHN Cc1ccc(CN2CCC2(C)C)s1 307011413 345751206 /nfs/dbraw/zinc/75/12/06/345751206.db2.gz JWLBLHAOHBPJJI-UHFFFAOYSA-N 0 3 195.331 3.041 10 0 AGAEHN Cc1cscc1NC(=N)C(C)C 307016112 345754538 /nfs/dbraw/zinc/75/45/38/345754538.db2.gz OLFXKBPTKRDIOE-UHFFFAOYSA-N 0 3 182.292 3.102 10 0 AGAEHN C[C@@H]1CCS[C@@H](C2(C)CCCC2)N1 307048584 345777765 /nfs/dbraw/zinc/77/77/65/345777765.db2.gz PLNSMCKLZYBOLP-ZJUUUORDSA-N 0 3 199.363 3.008 10 0 AGAEHN C[C@H]1CCS[C@H](C2(C)CCCC2)N1 307048583 345777934 /nfs/dbraw/zinc/77/79/34/345777934.db2.gz PLNSMCKLZYBOLP-VHSXEESVSA-N 0 3 199.363 3.008 10 0 AGAEHN C[C@@H]1CCS[C@H](C2(C)CCCC2)N1 307048580 345778070 /nfs/dbraw/zinc/77/80/70/345778070.db2.gz PLNSMCKLZYBOLP-NXEZZACHSA-N 0 3 199.363 3.008 10 0 AGAEHN C[C@H]1CCS[C@@H](C2(C)CCCC2)N1 307048582 345778162 /nfs/dbraw/zinc/77/81/62/345778162.db2.gz PLNSMCKLZYBOLP-UWVGGRQHSA-N 0 3 199.363 3.008 10 0 AGAEHN C[C@@H]1CCN[C@H](CC2CCCC2)S1 307143064 345836281 /nfs/dbraw/zinc/83/62/81/345836281.db2.gz KKFHVYNCOWTUKT-KOLCDFICSA-N 0 3 199.363 3.008 10 0 AGAEHN C[C@H]1CCN[C@@H](CC2CCCC2)S1 307143063 345836389 /nfs/dbraw/zinc/83/63/89/345836389.db2.gz KKFHVYNCOWTUKT-GXSJLCMTSA-N 0 3 199.363 3.008 10 0 AGAEHN C[C@H]1CCN[C@H](CC2CCCC2)S1 307143066 345836402 /nfs/dbraw/zinc/83/64/02/345836402.db2.gz KKFHVYNCOWTUKT-ONGXEEELSA-N 0 3 199.363 3.008 10 0 AGAEHN C[C@@H]1CCN[C@@H](CC2CCCC2)S1 307143065 345836601 /nfs/dbraw/zinc/83/66/01/345836601.db2.gz KKFHVYNCOWTUKT-MWLCHTKSSA-N 0 3 199.363 3.008 10 0 AGAEHN CC[C@H](NC)c1csc(Cl)c1 307148964 345841974 /nfs/dbraw/zinc/84/19/74/345841974.db2.gz QXZXLOZFHQOROQ-ZETCQYMHSA-N 0 3 189.711 3.072 10 0 AGAEHN CC[C@@H](NC)c1csc(Cl)c1 307148963 345842229 /nfs/dbraw/zinc/84/22/29/345842229.db2.gz QXZXLOZFHQOROQ-SSDOTTSWSA-N 0 3 189.711 3.072 10 0 AGAEHN CCC[C@]1(C2CC2)N[C@H](C)CCS1 307164589 345856261 /nfs/dbraw/zinc/85/62/61/345856261.db2.gz MKJAODSLZGYAIF-KOLCDFICSA-N 0 3 199.363 3.008 10 0 AGAEHN CCC[C@@]1(C2CC2)N[C@@H](C)CCS1 307164588 345856308 /nfs/dbraw/zinc/85/63/08/345856308.db2.gz MKJAODSLZGYAIF-GXSJLCMTSA-N 0 3 199.363 3.008 10 0 AGAEHN CCC[C@]1(C2CC2)N[C@@H](C)CCS1 307164591 345856463 /nfs/dbraw/zinc/85/64/63/345856463.db2.gz MKJAODSLZGYAIF-ONGXEEELSA-N 0 3 199.363 3.008 10 0 AGAEHN CCC[C@@]1(C2CC2)N[C@H](C)CCS1 307164590 345856483 /nfs/dbraw/zinc/85/64/83/345856483.db2.gz MKJAODSLZGYAIF-MWLCHTKSSA-N 0 3 199.363 3.008 10 0 AGAEHN Cc1csc([C@H](N)C2=CCCC2)c1 307196795 345882345 /nfs/dbraw/zinc/88/23/45/345882345.db2.gz UJCKWLFYJDNKBY-LLVKDONJSA-N 0 3 193.315 3.167 10 0 AGAEHN Cc1csc([C@@H](N)C2=CCCC2)c1 307196796 345882559 /nfs/dbraw/zinc/88/25/59/345882559.db2.gz UJCKWLFYJDNKBY-NSHDSACASA-N 0 3 193.315 3.167 10 0 AGAEHN CC[C@@H](NC)c1cc(C)ccc1Cl 307280886 345944718 /nfs/dbraw/zinc/94/47/18/345944718.db2.gz BSSZVPDHQJAEQH-LLVKDONJSA-N 0 3 197.709 3.319 10 0 AGAEHN CC[C@H](NC)c1cc(C)ccc1Cl 307280895 345944757 /nfs/dbraw/zinc/94/47/57/345944757.db2.gz BSSZVPDHQJAEQH-NSHDSACASA-N 0 3 197.709 3.319 10 0 AGAEHN Cc1cc([C@@H](N)C2=CCCC2)cs1 307306874 345959742 /nfs/dbraw/zinc/95/97/42/345959742.db2.gz DKEVWRHAKCRITL-NSHDSACASA-N 0 3 193.315 3.167 10 0 AGAEHN Cc1cc([C@H](N)C2=CCCC2)cs1 307306873 345959776 /nfs/dbraw/zinc/95/97/76/345959776.db2.gz DKEVWRHAKCRITL-LLVKDONJSA-N 0 3 193.315 3.167 10 0 AGAEHN C1CCCC(C[C@@H]2NCCS2)CC1 307325071 345972110 /nfs/dbraw/zinc/97/21/10/345972110.db2.gz HYPRRTGWMNKVKU-LLVKDONJSA-N 0 3 199.363 3.009 10 0 AGAEHN C1CCCC(C[C@H]2NCCS2)CC1 307325074 345972346 /nfs/dbraw/zinc/97/23/46/345972346.db2.gz HYPRRTGWMNKVKU-NSHDSACASA-N 0 3 199.363 3.009 10 0 AGAEHN CNC(C)(C)[C@@H](F)c1ccccc1C 307352698 345989289 /nfs/dbraw/zinc/98/92/89/345989289.db2.gz RBMUDHOKBADKQE-NSHDSACASA-N 0 3 195.281 3.004 10 0 AGAEHN CNC(C)(C)[C@H](F)c1ccccc1C 307352697 345989390 /nfs/dbraw/zinc/98/93/90/345989390.db2.gz RBMUDHOKBADKQE-LLVKDONJSA-N 0 3 195.281 3.004 10 0 AGAEHN CN[C@@H](C1=CCCCCC1)C(C)(C)F 307462607 346055001 /nfs/dbraw/zinc/05/50/01/346055001.db2.gz DTSZQHFURVRJFC-NSHDSACASA-N 0 3 199.313 3.213 10 0 AGAEHN CN[C@H](C1=CCCCCC1)C(C)(C)F 307462603 346055094 /nfs/dbraw/zinc/05/50/94/346055094.db2.gz DTSZQHFURVRJFC-LLVKDONJSA-N 0 3 199.313 3.213 10 0 AGAEHN CC[C@H](NC)c1ccsc1Cl 307523983 346090892 /nfs/dbraw/zinc/09/08/92/346090892.db2.gz DJOUUDMUYWHOPE-ZETCQYMHSA-N 0 3 189.711 3.072 10 0 AGAEHN CC[C@@H](NC)c1ccsc1Cl 307523981 346091046 /nfs/dbraw/zinc/09/10/46/346091046.db2.gz DJOUUDMUYWHOPE-SSDOTTSWSA-N 0 3 189.711 3.072 10 0 AGAEHN CC[C@]1(C2CCCC2)NCCCS1 307584449 346129143 /nfs/dbraw/zinc/12/91/43/346129143.db2.gz ILZJJVWOXQILDK-NSHDSACASA-N 0 3 199.363 3.009 10 0 AGAEHN CC[C@@]1(C2CCCC2)NCCCS1 307584448 346129242 /nfs/dbraw/zinc/12/92/42/346129242.db2.gz ILZJJVWOXQILDK-LLVKDONJSA-N 0 3 199.363 3.009 10 0 AGAEHN Cc1scc(CN)c1C1CCCC1 307595565 346136493 /nfs/dbraw/zinc/13/64/93/346136493.db2.gz KNDADFBCBYQSJJ-UHFFFAOYSA-N 0 3 195.331 3.173 10 0 AGAEHN C[C@@H]1CCN[C@@H](C2(C)CCCC2)S1 307605547 346142317 /nfs/dbraw/zinc/14/23/17/346142317.db2.gz YQWNLBJRCSHIJN-NXEZZACHSA-N 0 3 199.363 3.008 10 0 AGAEHN C[C@H]1CCN[C@H](C2(C)CCCC2)S1 307605548 346142344 /nfs/dbraw/zinc/14/23/44/346142344.db2.gz YQWNLBJRCSHIJN-UWVGGRQHSA-N 0 3 199.363 3.008 10 0 AGAEHN C[C@@H]1CCN[C@H](C2(C)CCCC2)S1 307605550 346142390 /nfs/dbraw/zinc/14/23/90/346142390.db2.gz YQWNLBJRCSHIJN-ZJUUUORDSA-N 0 3 199.363 3.008 10 0 AGAEHN C[C@H]1CCN[C@@H](C2(C)CCCC2)S1 307605549 346142436 /nfs/dbraw/zinc/14/24/36/346142436.db2.gz YQWNLBJRCSHIJN-VHSXEESVSA-N 0 3 199.363 3.008 10 0 AGAEHN CNC(C)(C)[C@@H](F)c1cccc(C)c1 307711463 346197132 /nfs/dbraw/zinc/19/71/32/346197132.db2.gz UFPQKDBNNPPASG-NSHDSACASA-N 0 3 195.281 3.004 10 0 AGAEHN CC(C)=C[C@H](N)c1csc(C)c1C 307719558 346201428 /nfs/dbraw/zinc/20/14/28/346201428.db2.gz NEQADQSVMRIOHG-NSHDSACASA-N 0 3 195.331 3.331 10 0 AGAEHN CC(C)=C[C@@H](N)c1csc(C)c1C 307719557 346201526 /nfs/dbraw/zinc/20/15/26/346201526.db2.gz NEQADQSVMRIOHG-LLVKDONJSA-N 0 3 195.331 3.331 10 0 AGAEHN CC(C)=C[C@H](N)c1csc(C)c1 307760246 346227198 /nfs/dbraw/zinc/22/71/98/346227198.db2.gz VEABIJJRKMYDPH-JTQLQIEISA-N 0 3 181.304 3.023 10 0 AGAEHN CC(C)=C[C@@H](N)c1csc(C)c1 307760247 346227410 /nfs/dbraw/zinc/22/74/10/346227410.db2.gz VEABIJJRKMYDPH-SNVBAGLBSA-N 0 3 181.304 3.023 10 0 AGAEHN C/C=C\CNCc1cccc(Cl)c1 308108220 346256369 /nfs/dbraw/zinc/25/63/69/346256369.db2.gz QYVGZDUUFDJGGF-IHWYPQMZSA-N 0 3 195.693 3.006 10 0 AGAEHN C/C=C\CN[C@H](C)c1cccc(F)c1 308401918 346298239 /nfs/dbraw/zinc/29/82/39/346298239.db2.gz USTSLXNIARPAMA-UMBAGQNISA-N 0 3 193.265 3.052 10 0 AGAEHN C/C=C\CN[C@H](C)c1ccccc1F 308408477 346299579 /nfs/dbraw/zinc/29/95/79/346299579.db2.gz ZBEGLBUAHMBNFG-UMBAGQNISA-N 0 3 193.265 3.052 10 0 AGAEHN C/C=C\CN[C@@H](C)c1cccc(F)c1 379505659 346524092 /nfs/dbraw/zinc/52/40/92/346524092.db2.gz USTSLXNIARPAMA-XOULXFPDSA-N 0 3 193.265 3.052 10 0 AGAEHN C/C=C\CN[C@@H](C)c1sccc1C 384830159 346539935 /nfs/dbraw/zinc/53/99/35/346539935.db2.gz GSHIIJNVPHDFCK-LWTINBJPSA-N 0 3 195.331 3.283 10 0 AGAEHN C/C=C\CN[C@H](C)c1sccc1C 384830161 346539966 /nfs/dbraw/zinc/53/99/66/346539966.db2.gz GSHIIJNVPHDFCK-UMCURTJPSA-N 0 3 195.331 3.283 10 0 AGAEHN C/C=C/CN[C@H](C)c1sccc1C 384830160 346540289 /nfs/dbraw/zinc/54/02/89/346540289.db2.gz GSHIIJNVPHDFCK-ORAHPGNNSA-N 0 3 195.331 3.283 10 0 AGAEHN C/C=C/CN[C@@H](C)c1sccc1C 384830162 346540312 /nfs/dbraw/zinc/54/03/12/346540312.db2.gz GSHIIJNVPHDFCK-YEZKRMTDSA-N 0 3 195.331 3.283 10 0 AGAEHN C/C=C\CN[C@@H](C)c1csc(C)c1 384882792 346540667 /nfs/dbraw/zinc/54/06/67/346540667.db2.gz RHUVFQHZMYHODQ-LWTINBJPSA-N 0 3 195.331 3.283 10 0 AGAEHN C/C=C/CN[C@@H](C)c1csc(C)c1 384882795 346540928 /nfs/dbraw/zinc/54/09/28/346540928.db2.gz RHUVFQHZMYHODQ-YEZKRMTDSA-N 0 3 195.331 3.283 10 0 AGAEHN C/C=C/CN[C@H](C)c1csc(C)c1 384882793 346540947 /nfs/dbraw/zinc/54/09/47/346540947.db2.gz RHUVFQHZMYHODQ-ORAHPGNNSA-N 0 3 195.331 3.283 10 0 AGAEHN C/C=C\CN[C@H](C)c1csc(C)c1 384882794 346540990 /nfs/dbraw/zinc/54/09/90/346540990.db2.gz RHUVFQHZMYHODQ-UMCURTJPSA-N 0 3 195.331 3.283 10 0 AGAEHN C/C=C\CNCc1cc(C)sc1C 384920228 346541717 /nfs/dbraw/zinc/54/17/17/346541717.db2.gz ZQRNVLZRRXBXPC-PLNGDYQASA-N 0 3 195.331 3.031 10 0 AGAEHN C/C=C/CNCc1cc(C)sc1C 384920256 346541787 /nfs/dbraw/zinc/54/17/87/346541787.db2.gz ZQRNVLZRRXBXPC-SNAWJCMRSA-N 0 3 195.331 3.031 10 0 AGAEHN C/C=C\CNCc1ccc(Cl)cc1 388158728 346547061 /nfs/dbraw/zinc/54/70/61/346547061.db2.gz GWLFNDOCNKKMMM-IHWYPQMZSA-N 0 3 195.693 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/nfs/dbraw/zinc/23/98/41/573239841.db2.gz VERKKBURYIBFIJ-LLVKDONJSA-N 0 3 195.693 3.306 10 0 AGAEHN CC(C)=C[C@H](N)c1cccc(Cl)c1 86025007 573239877 /nfs/dbraw/zinc/23/98/77/573239877.db2.gz RLRUJSSDZOZXPE-NSHDSACASA-N 0 3 195.693 3.306 10 0 AGAEHN CCN[C@H](CCCCF)c1ccco1 308530199 573252208 /nfs/dbraw/zinc/25/22/08/573252208.db2.gz KNPCGBNRJVESDO-SNVBAGLBSA-N 0 3 199.269 3.070 10 0 AGAEHN CCC[C@@H](C)C[C@H](N)c1ccc(C)o1 126036656 573274505 /nfs/dbraw/zinc/27/45/05/573274505.db2.gz SXHONNWCESPNHW-KOLCDFICSA-N 0 3 195.306 3.414 10 0 AGAEHN CCC[C@H](C)C[C@@H](N)c1ccc(C)o1 126037343 573276428 /nfs/dbraw/zinc/27/64/28/573276428.db2.gz SXHONNWCESPNHW-GXSJLCMTSA-N 0 3 195.306 3.414 10 0 AGAEHN CCC[C@@H](C)C[C@@H](N)c1ccc(C)o1 126037114 573276603 /nfs/dbraw/zinc/27/66/03/573276603.db2.gz SXHONNWCESPNHW-MWLCHTKSSA-N 0 3 195.306 3.414 10 0 AGAEHN C/C=C\CNC(C)(C)c1ccccc1 308541765 573291501 /nfs/dbraw/zinc/29/15/01/573291501.db2.gz MWUGCXWBTFOXAP-PLNGDYQASA-N 0 3 189.302 3.087 10 0 AGAEHN CCC[C@H](N)c1ncc(C(C)C)s1 132365880 573291597 /nfs/dbraw/zinc/29/15/97/573291597.db2.gz VXGLGDKUVSVRJS-QMMMGPOBSA-N 0 3 198.335 3.066 10 0 AGAEHN CCC[C@@H](N)c1ncc(C(C)C)s1 132366069 573295833 /nfs/dbraw/zinc/29/58/33/573295833.db2.gz VXGLGDKUVSVRJS-MRVPVSSYSA-N 0 3 198.335 3.066 10 0 AGAEHN Cc1ccoc1[C@H](N)[C@H](C)CC(C)C 308548073 573302952 /nfs/dbraw/zinc/30/29/52/573302952.db2.gz OTRIUYPNSUJIIJ-GHMZBOCLSA-N 0 3 195.306 3.270 10 0 AGAEHN C[C@H](c1coc2ccccc12)N(C)C 259087841 573334667 /nfs/dbraw/zinc/33/46/67/573334667.db2.gz GBUMRWZRJDOCFH-SECBINFHSA-N 0 3 189.258 3.055 10 0 AGAEHN CCC1(C[C@H](N)c2ccoc2)CCC1 308562168 573361665 /nfs/dbraw/zinc/36/16/65/573361665.db2.gz FXJYJKHFYPRVSC-NSHDSACASA-N 0 3 193.290 3.250 10 0 AGAEHN CCC1(C[C@H](N)c2ccco2)CCC1 308565691 573379452 /nfs/dbraw/zinc/37/94/52/573379452.db2.gz HOFDWCHMFLPPRL-JTQLQIEISA-N 0 3 193.290 3.250 10 0 AGAEHN CC[C@@H](F)CN[C@H](C)c1ccccc1 308566664 573384533 /nfs/dbraw/zinc/38/45/33/573384533.db2.gz AVZGJHORTZRVCQ-ZYHUDNBSSA-N 0 3 195.281 3.085 10 0 AGAEHN CCC(CC)CCNc1ccncc1 308566913 573383832 /nfs/dbraw/zinc/38/38/32/573383832.db2.gz AXYLVFVRVYNLND-UHFFFAOYSA-N 0 3 192.306 3.320 10 0 AGAEHN CCN[C@@H](CC(C)C)c1occc1C 133184883 573385805 /nfs/dbraw/zinc/38/58/05/573385805.db2.gz KNMGEGBBSWZDIN-NSHDSACASA-N 0 3 195.306 3.285 10 0 AGAEHN Cc1cccc2sc([C@@H](C)N)cc12 238386391 573398417 /nfs/dbraw/zinc/39/84/17/573398417.db2.gz CCYVKMQHGZQCSV-MRVPVSSYSA-N 0 3 191.299 3.229 10 0 AGAEHN Cc1ccc([C@H](N)CCCC(C)C)o1 133482456 573406282 /nfs/dbraw/zinc/40/62/82/573406282.db2.gz NYMZPLXDXMHWNZ-LLVKDONJSA-N 0 3 195.306 3.414 10 0 AGAEHN CCc1ccc([C@@H](N)CCC2CC2)o1 129916620 573416545 /nfs/dbraw/zinc/41/65/45/573416545.db2.gz FIAPSVVLHANGCT-NSHDSACASA-N 0 3 193.290 3.032 10 0 AGAEHN Cc1cccc(CNC(C)C)c1Cl 83342860 573474966 /nfs/dbraw/zinc/47/49/66/573474966.db2.gz BZHDJEUILNHIER-UHFFFAOYSA-N 0 3 197.709 3.146 10 0 AGAEHN N[C@H](CC1CCC1)c1ccc(Cl)o1 236313241 573546451 /nfs/dbraw/zinc/54/64/51/573546451.db2.gz VHDARHHLFNZYQW-MRVPVSSYSA-N 0 3 199.681 3.123 10 0 AGAEHN CCC[C@H](N)c1c(F)ccc(C)c1F 95766577 573560278 /nfs/dbraw/zinc/56/02/78/573560278.db2.gz IQJRMZBCGSMVFA-VIFPVBQESA-N 0 3 199.244 3.073 10 0 AGAEHN Cc1ccc(C)c(SC(C)(C)N)c1 259140771 573602513 /nfs/dbraw/zinc/60/25/13/573602513.db2.gz DSYISZSGDJFXAB-UHFFFAOYSA-N 0 3 195.331 3.090 10 0 AGAEHN Cc1ccccc1[C@H](C)N[C@@H](C)CF 308664285 573663980 /nfs/dbraw/zinc/66/39/80/573663980.db2.gz ROJUYSSRANGIGE-QWRGUYRKSA-N 0 3 195.281 3.004 10 0 AGAEHN C/C(=C/NC(C)(C)C)c1ccccc1 238469234 573682703 /nfs/dbraw/zinc/68/27/03/573682703.db2.gz NJESAKHRXVIXMT-KHPPLWFESA-N 0 3 189.302 3.436 10 0 AGAEHN N[C@@H](CCC1CC1)c1sccc1F 393551078 573699006 /nfs/dbraw/zinc/69/90/06/573699006.db2.gz FOZYSJQRRRSWPZ-VIFPVBQESA-N 0 3 199.294 3.077 10 0 AGAEHN Cc1cc(C)c(S[C@H](C)N)c(C)c1 259174811 573744644 /nfs/dbraw/zinc/74/46/44/573744644.db2.gz IADIDAQYDCSHLT-SNVBAGLBSA-N 0 3 195.331 3.009 10 0 AGAEHN C[C@@H](N)c1cc2c(F)cccc2s1 257865773 573751503 /nfs/dbraw/zinc/75/15/03/573751503.db2.gz HOEBKVYDTYYTIH-ZCFIWIBFSA-N 0 3 195.262 3.060 10 0 AGAEHN CC(C)=C(C)CNCc1ccccc1 238111512 573784163 /nfs/dbraw/zinc/78/41/63/573784163.db2.gz UZDLSNDPRMNGSH-UHFFFAOYSA-N 0 3 189.302 3.133 10 0 AGAEHN CCCC[C@@H](NCC)c1cc(C)co1 716200396 573808308 /nfs/dbraw/zinc/80/83/08/573808308.db2.gz LWFLWDGJUZSKEP-LLVKDONJSA-N 0 3 195.306 3.429 10 0 AGAEHN Cc1coc([C@@H](N)C2CCCCC2)c1 716198655 573810970 /nfs/dbraw/zinc/81/09/70/573810970.db2.gz HDYAHZVUOOYKQN-LBPRGKRZSA-N 0 3 193.290 3.168 10 0 AGAEHN CC[C@H](C)c1csc([C@H](N)CC)n1 41059285 573823822 /nfs/dbraw/zinc/82/38/22/573823822.db2.gz DELWUXYISHXEHI-JGVFFNPUSA-N 0 3 198.335 3.066 10 0 AGAEHN CC[C@@H](C)c1csc([C@H](N)CC)n1 41059284 573826238 /nfs/dbraw/zinc/82/62/38/573826238.db2.gz DELWUXYISHXEHI-HTQZYQBOSA-N 0 3 198.335 3.066 10 0 AGAEHN Cc1coc([C@H](N)[C@H](C)CC(C)C)c1 716216596 573826658 /nfs/dbraw/zinc/82/66/58/573826658.db2.gz BRDVWJGUKSEMHG-ZYHUDNBSSA-N 0 3 195.306 3.270 10 0 AGAEHN CC[C@H](N)c1nc([C@H](C)CC)cs1 41059286 573826068 /nfs/dbraw/zinc/82/60/68/573826068.db2.gz DELWUXYISHXEHI-SFYZADRCSA-N 0 3 198.335 3.066 10 0 AGAEHN C[Si](C)(C)C[C@H](N)c1cccs1 238527243 573832123 /nfs/dbraw/zinc/83/21/23/573832123.db2.gz ZXHZNYGQKQPLEC-QMMMGPOBSA-N 0 3 199.395 3.086 10 0 AGAEHN CCCC1([C@H](N)c2cccs2)CC1 393564907 573835404 /nfs/dbraw/zinc/83/54/04/573835404.db2.gz IFSNMUIYPSTKSE-SNVBAGLBSA-N 0 3 195.331 3.328 10 0 AGAEHN CCC(CC)CCNCc1ccoc1 308762579 573837388 /nfs/dbraw/zinc/83/73/88/573837388.db2.gz YTZLKTHMMINFLW-UHFFFAOYSA-N 0 3 195.306 3.196 10 0 AGAEHN CCC(CC)[C@@H](NC)c1ccc(C)o1 43610153 573846468 /nfs/dbraw/zinc/84/64/68/573846468.db2.gz XOQQFIPOASGTIT-GFCCVEGCSA-N 0 3 195.306 3.285 10 0 AGAEHN CCCC[C@H](NCC)c1ccc(C)o1 43610861 573846806 /nfs/dbraw/zinc/84/68/06/573846806.db2.gz JCLAMWMLNGTTHS-NSHDSACASA-N 0 3 195.306 3.429 10 0 AGAEHN CCCCC[C@@H](NC)c1ccc(C)o1 43610517 573847842 /nfs/dbraw/zinc/84/78/42/573847842.db2.gz SGYQCADZSJXNBD-LLVKDONJSA-N 0 3 195.306 3.429 10 0 AGAEHN CCCC[C@@H](CC)[C@@H](N)c1ccco1 43607021 573859362 /nfs/dbraw/zinc/85/93/62/573859362.db2.gz NSCDLYGAOXTQJE-ZYHUDNBSSA-N 0 3 195.306 3.496 10 0 AGAEHN Cc1ccc([C@@H](N)[C@H](C)CC(C)C)o1 308458265 573861993 /nfs/dbraw/zinc/86/19/93/573861993.db2.gz FNMPKTKZBJAOJS-SKDRFNHKSA-N 0 3 195.306 3.270 10 0 AGAEHN CC(C)[C@H](N)c1cc(Cl)cs1 238171420 573865567 /nfs/dbraw/zinc/86/55/67/573865567.db2.gz AAVUMLZAXUBWRW-QMMMGPOBSA-N 0 3 189.711 3.057 10 0 AGAEHN CCC1([C@@H]2NCC[C@H](C)S2)CCC1 686129216 573867115 /nfs/dbraw/zinc/86/71/15/573867115.db2.gz QYEKACGRPYSXKE-VHSXEESVSA-N 0 3 199.363 3.008 10 0 AGAEHN CN[C@H](c1ccco1)C1(C)CCCC1 87316264 573876383 /nfs/dbraw/zinc/87/63/83/573876383.db2.gz LGDZIQXOWDXZEV-LLVKDONJSA-N 0 3 193.290 3.120 10 0 AGAEHN CC1([C@@H](N)c2cccs2)CCCC1 87315991 573876034 /nfs/dbraw/zinc/87/60/34/573876034.db2.gz BLDBWZOGUPBKFL-JTQLQIEISA-N 0 3 195.331 3.328 10 0 AGAEHN CC1([C@H](N)c2cccs2)CCCC1 87315989 573878499 /nfs/dbraw/zinc/87/84/99/573878499.db2.gz BLDBWZOGUPBKFL-SNVBAGLBSA-N 0 3 195.331 3.328 10 0 AGAEHN CCC(CC)c1nc([C@H](C)N)cs1 41627846 573901476 /nfs/dbraw/zinc/90/14/76/573901476.db2.gz HCVIQOXJKRYXAF-ZETCQYMHSA-N 0 3 198.335 3.066 10 0 AGAEHN C1CCC(C[C@@H]2NCCCS2)CC1 87474048 573927068 /nfs/dbraw/zinc/92/70/68/573927068.db2.gz BQIKONGJAPGBDT-LLVKDONJSA-N 0 3 199.363 3.009 10 0 AGAEHN C[C@H]1CCNC2(CCCCCC2)S1 87604870 573984119 /nfs/dbraw/zinc/98/41/19/573984119.db2.gz SUFBFGVROMLSTM-JTQLQIEISA-N 0 3 199.363 3.152 10 0 AGAEHN C[C@H]1CCN[C@@]2(CCCC2(C)C)S1 87605114 573984238 /nfs/dbraw/zinc/98/42/38/573984238.db2.gz HDZQKGSBCFOYFI-ONGXEEELSA-N 0 3 199.363 3.008 10 0 AGAEHN C[C@@H]1CCS[C@@]2(CCCC2(C)C)N1 87604157 573984279 /nfs/dbraw/zinc/98/42/79/573984279.db2.gz CRIUNOXFWJLTHI-MWLCHTKSSA-N 0 3 199.363 3.008 10 0 AGAEHN C[C@H]1CCSC2(CCCCCC2)N1 87603914 573984296 /nfs/dbraw/zinc/98/42/96/573984296.db2.gz NDXAMYLVMJZUAJ-JTQLQIEISA-N 0 3 199.363 3.152 10 0 AGAEHN CC1CCC2(CC1)N[C@@H](C)CCS2 87604094 573984354 /nfs/dbraw/zinc/98/43/54/573984354.db2.gz IYQJZIXAVVCJTF-YVNMAJEFSA-N 0 3 199.363 3.008 10 0 AGAEHN CCC1CCC2(CC1)NCCCS2 87603793 573984446 /nfs/dbraw/zinc/98/44/46/573984446.db2.gz HHKPQOLEDZFOMX-UHFFFAOYSA-N 0 3 199.363 3.009 10 0 AGAEHN C[C@@]1(C2CCCCC2)NCCCS1 87603716 573984455 /nfs/dbraw/zinc/98/44/55/573984455.db2.gz CIPBPIKUSYHCTD-LLVKDONJSA-N 0 3 199.363 3.009 10 0 AGAEHN CC[C@@H]1CC[C@@]2(C1)NCC[C@H](C)S2 87605153 573984497 /nfs/dbraw/zinc/98/44/97/573984497.db2.gz KXCFLTVQNXIQDO-HBNTYKKESA-N 0 3 199.363 3.008 10 0 AGAEHN C[C@H]1CCS[C@]2(CCCC2(C)C)N1 87604156 573984506 /nfs/dbraw/zinc/98/45/06/573984506.db2.gz CRIUNOXFWJLTHI-ONGXEEELSA-N 0 3 199.363 3.008 10 0 AGAEHN C[C@@H]1CCSC2(CCCCCC2)N1 87603913 573984593 /nfs/dbraw/zinc/98/45/93/573984593.db2.gz NDXAMYLVMJZUAJ-SNVBAGLBSA-N 0 3 199.363 3.152 10 0 AGAEHN C[C@H]1CCN[C@@]2(CCC[C@@H](C)C2)S1 87604987 573984699 /nfs/dbraw/zinc/98/46/99/573984699.db2.gz QMNFNGNHFKHBSH-VWYCJHECSA-N 0 3 199.363 3.008 10 0 AGAEHN CC1CCC2(CC1)N[C@H](C)CCS2 87604093 573984760 /nfs/dbraw/zinc/98/47/60/573984760.db2.gz IYQJZIXAVVCJTF-HSOILSAZSA-N 0 3 199.363 3.008 10 0 AGAEHN C[C@@H]1CCS[C@]2(CCCC2(C)C)N1 87604155 573984884 /nfs/dbraw/zinc/98/48/84/573984884.db2.gz CRIUNOXFWJLTHI-KOLCDFICSA-N 0 3 199.363 3.008 10 0 AGAEHN C[C@H]1CCN[C@](C)(C2CCCC2)S1 87605204 573984959 /nfs/dbraw/zinc/98/49/59/573984959.db2.gz SMYLPBPMBNZUKT-ONGXEEELSA-N 0 3 199.363 3.008 10 0 AGAEHN CC1(C)CCCC[C@@]12NCCCS2 87603668 573985040 /nfs/dbraw/zinc/98/50/40/573985040.db2.gz IHDZXDWNVWNPNU-NSHDSACASA-N 0 3 199.363 3.009 10 0 AGAEHN C[C@H]1CCN[C@@](C)(C2CCCC2)S1 87605202 573985052 /nfs/dbraw/zinc/98/50/52/573985052.db2.gz SMYLPBPMBNZUKT-GXSJLCMTSA-N 0 3 199.363 3.008 10 0 AGAEHN C[C@H]1CCCC[C@]12N[C@H](C)CCS2 87604056 573985103 /nfs/dbraw/zinc/98/51/03/573985103.db2.gz RDEQKBMGDTXWGZ-HBNTYKKESA-N 0 3 199.363 3.008 10 0 AGAEHN C[C@H]1CNC2(CCCCCC2)SC1 87604393 573985182 /nfs/dbraw/zinc/98/51/82/573985182.db2.gz NTCZYUFJSHCQIT-JTQLQIEISA-N 0 3 199.363 3.009 10 0 AGAEHN C[C@H]1CCS[C@@]2(CCCC2(C)C)N1 87604158 573985416 /nfs/dbraw/zinc/98/54/16/573985416.db2.gz CRIUNOXFWJLTHI-GXSJLCMTSA-N 0 3 199.363 3.008 10 0 AGAEHN CC[C@H](NC)c1sccc1Cl 87621829 573991098 /nfs/dbraw/zinc/99/10/98/573991098.db2.gz RFEMQHRTISJSLE-ZETCQYMHSA-N 0 3 189.711 3.072 10 0 AGAEHN CC[C@@H](NC1CC(C)C1)c1ccco1 123335117 573995668 /nfs/dbraw/zinc/99/56/68/573995668.db2.gz QRFFKDLIIJBWBG-VQXHTEKXSA-N 0 3 193.290 3.119 10 0 AGAEHN CC[C@H](N[C@H]1C[C@@H]1CC)c1ccco1 234130746 574001577 /nfs/dbraw/zinc/00/15/77/574001577.db2.gz KQSNRIVHYZCXBF-DCAQKATOSA-N 0 3 193.290 3.119 10 0 AGAEHN CCC[C@H](N)c1ccsc1Cl 104494583 574007631 /nfs/dbraw/zinc/00/76/31/574007631.db2.gz UAZQVRXVWWWNHA-ZETCQYMHSA-N 0 3 189.711 3.201 10 0 AGAEHN C1CCCC([C@@H]2NCCCS2)CC1 85314699 574033854 /nfs/dbraw/zinc/03/38/54/574033854.db2.gz JDUGLGYDVYGDCS-LLVKDONJSA-N 0 3 199.363 3.009 10 0 AGAEHN C1CCCC([C@H]2NCCCS2)CC1 85314700 574034463 /nfs/dbraw/zinc/03/44/63/574034463.db2.gz JDUGLGYDVYGDCS-NSHDSACASA-N 0 3 199.363 3.009 10 0 AGAEHN CCc1ccc(SC(C)(C)N)cc1 259289956 574034724 /nfs/dbraw/zinc/03/47/24/574034724.db2.gz SODYADRFGPZQLY-UHFFFAOYSA-N 0 3 195.331 3.036 10 0 AGAEHN C[C@@H]1CCS[C@@H](C2CCCCC2)N1 85318862 574034794 /nfs/dbraw/zinc/03/47/94/574034794.db2.gz YNZBXYHBJLAAJJ-KOLCDFICSA-N 0 3 199.363 3.008 10 0 AGAEHN Cc1ccsc1[C@H](N)C(C)(C)C 44415615 518191386 /nfs/dbraw/zinc/19/13/86/518191386.db2.gz KIRUBJVMNOFYGM-VIFPVBQESA-N 0 3 183.320 3.102 10 0 AGAEHN CCC[C@H](C)Nc1cc(C)cc(C)n1 134350471 1224184617 /nfs/dbraw/zinc/18/46/17/1224184617.db2.gz FVGVFTULMFLEKN-JTQLQIEISA-N 0 3 192.306 3.299 10 0 AGAEHN CC[C@@H](C)c1cc(CN)c(C(C)C)o1 675054572 538448791 /nfs/dbraw/zinc/44/87/91/538448791.db2.gz OKPVQJTZJMVASW-SECBINFHSA-N 0 3 195.306 3.375 10 0 AGAEHN