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712562102 674012488 /nfs/dbraw/zinc/01/24/88/674012488.db2.gz FZGCFAYNXVJSGQ-VIFPVBQESA-N 0 1 192.266 0.901 20 0 ACADMN CN1CC[C@@H]1CNc1cnccn1 712560257 674012509 /nfs/dbraw/zinc/01/25/09/674012509.db2.gz BXROXRNDCKEXKC-MRVPVSSYSA-N 0 1 178.239 0.593 20 0 ACADMN CN1CC[C@H]1CNc1cnccn1 712560258 674012560 /nfs/dbraw/zinc/01/25/60/674012560.db2.gz BXROXRNDCKEXKC-QMMMGPOBSA-N 0 1 178.239 0.593 20 0 ACADMN CN1CC[C@H]1CNc1ncccn1 712560213 674012586 /nfs/dbraw/zinc/01/25/86/674012586.db2.gz BBEIJNUIFFHNIX-QMMMGPOBSA-N 0 1 178.239 0.593 20 0 ACADMN CN1CC[C@H]1CNCc1ccn(C)n1 712554274 674012614 /nfs/dbraw/zinc/01/26/14/674012614.db2.gz AIMCVAKADRYDAM-JTQLQIEISA-N 0 1 194.282 0.214 20 0 ACADMN CN1CC[C@@H]1CNCc1ccon1 712548027 674012759 /nfs/dbraw/zinc/01/27/59/674012759.db2.gz MLQCVQMGJASURB-SECBINFHSA-N 0 1 181.239 0.468 20 0 ACADMN CN1CC[C@@H]1CNc1ncc(F)cn1 712566779 674012795 /nfs/dbraw/zinc/01/27/95/674012795.db2.gz YWESBDPHNWGYJY-MRVPVSSYSA-N 0 1 196.229 0.732 20 0 ACADMN 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ACADMN CCCn1cc(CNC[C@@H](C)O)nn1 714437102 674017928 /nfs/dbraw/zinc/01/79/28/674017928.db2.gz LSQCRWJFHYCLGM-MRVPVSSYSA-N 0 1 198.270 0.159 20 0 ACADMN CC[C@H](CO)NCc1cn(CC)nn1 714854423 674018435 /nfs/dbraw/zinc/01/84/35/674018435.db2.gz KKMPJGLNZVKRKC-MRVPVSSYSA-N 0 1 198.270 0.159 20 0 ACADMN FC(F)CNCc1cnc[nH]1 147327035 1169236757 /nfs/dbraw/zinc/23/67/57/1169236757.db2.gz LOWOZGGBVMWNHA-UHFFFAOYSA-N 0 1 161.155 0.764 20 0 ACADMN CC[C@@H](CO)NCc1cn(CC)nn1 714854425 674018941 /nfs/dbraw/zinc/01/89/41/674018941.db2.gz KKMPJGLNZVKRKC-QMMMGPOBSA-N 0 1 198.270 0.159 20 0 ACADMN Cc1c[nH]nc1C[NH2+]C(C)(C)C(=O)[O-] 715393743 674021523 /nfs/dbraw/zinc/02/15/23/674021523.db2.gz NTVQRUUJOWQFNN-UHFFFAOYSA-N 0 1 197.238 0.671 20 0 ACADMN CO[C@@H](C)CN[C@@H](C)c1cn(C)nn1 715876311 674022820 /nfs/dbraw/zinc/02/28/20/674022820.db2.gz KLDMWGKDDOBBCW-YUMQZZPRSA-N 0 1 198.270 0.501 20 0 ACADMN CC[C@H](CO)N[C@@H](C)c1cn(C)nn1 715874747 674022837 /nfs/dbraw/zinc/02/28/37/674022837.db2.gz 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715876309 674022922 /nfs/dbraw/zinc/02/29/22/674022922.db2.gz KLDMWGKDDOBBCW-SFYZADRCSA-N 0 1 198.270 0.501 20 0 ACADMN CC[C@@H](CO)N[C@H](C)c1cn(C)nn1 715874748 674022994 /nfs/dbraw/zinc/02/29/94/674022994.db2.gz FPOAUAQPZNCZMJ-SFYZADRCSA-N 0 1 198.270 0.237 20 0 ACADMN C[C@H](NC1CC1)c1cn(C)nn1 715851149 674023030 /nfs/dbraw/zinc/02/30/30/674023030.db2.gz MUDLDGAABXDUAW-LURJTMIESA-N 0 1 166.228 0.628 20 0 ACADMN C[C@@H](CCO)N[C@H](C)c1cn(C)nn1 715880205 674023051 /nfs/dbraw/zinc/02/30/51/674023051.db2.gz VIHIOCYJQKYHBA-JGVFFNPUSA-N 0 1 198.270 0.237 20 0 ACADMN C[C@H](CCO)N[C@H](C)c1cn(C)nn1 715880204 674023071 /nfs/dbraw/zinc/02/30/71/674023071.db2.gz VIHIOCYJQKYHBA-HTQZYQBOSA-N 0 1 198.270 0.237 20 0 ACADMN CO[C@H](C)CN[C@H](C)c1cn(C)nn1 715876306 674023083 /nfs/dbraw/zinc/02/30/83/674023083.db2.gz KLDMWGKDDOBBCW-HTQZYQBOSA-N 0 1 198.270 0.501 20 0 ACADMN CC[C@@H](O)CN[C@@H](C)c1cn(C)nn1 715879044 674023201 /nfs/dbraw/zinc/02/32/01/674023201.db2.gz RSZBUOSEYHTMSG-JGVFFNPUSA-N 0 1 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CCNCc1cn([C@H]2CCOC2)nn1 85272865 486866705 /nfs/dbraw/zinc/86/67/05/486866705.db2.gz OQQRZUKMUBXPRQ-VIFPVBQESA-N 0 1 196.254 0.349 20 0 ACADMN CCn1cc(CNC(C)C)nn1 85273248 486866720 /nfs/dbraw/zinc/86/67/20/486866720.db2.gz PSUZUQXAILCNOX-UHFFFAOYSA-N 0 1 168.244 0.796 20 0 ACADMN CCNCc1cn(CC(C)(C)O)nn1 85272899 486866734 /nfs/dbraw/zinc/86/67/34/486866734.db2.gz XYPPXOYBWPLYDO-UHFFFAOYSA-N 0 1 198.270 0.159 20 0 ACADMN CNCc1cn(CC(F)(F)F)nn1 85272392 486866744 /nfs/dbraw/zinc/86/67/44/486866744.db2.gz RUFBFYCTCMZITI-UHFFFAOYSA-N 0 1 194.160 0.560 20 0 ACADMN CNCc1cn(CC2CC2)nn1 85272479 486866752 /nfs/dbraw/zinc/86/67/52/486866752.db2.gz JQBNFJZQOVWULL-UHFFFAOYSA-N 0 1 166.228 0.408 20 0 ACADMN CCCn1cc(CNCC)nn1 85273036 486866763 /nfs/dbraw/zinc/86/67/63/486866763.db2.gz SJAOPGTTZWKYPO-UHFFFAOYSA-N 0 1 168.244 0.798 20 0 ACADMN CNCc1cn(CCC2CC2)nn1 85272660 486866825 /nfs/dbraw/zinc/86/68/25/486866825.db2.gz VFFSFJJCDTUWOG-UHFFFAOYSA-N 0 1 180.255 0.798 20 0 ACADMN CNCc1cn(CC2CCC2)nn1 85272502 486866837 /nfs/dbraw/zinc/86/68/37/486866837.db2.gz SQIBWTLUJNHSCG-UHFFFAOYSA-N 0 1 180.255 0.798 20 0 ACADMN CCNCc1cn(C[C@H](O)CC)nn1 85273050 486866849 /nfs/dbraw/zinc/86/68/49/486866849.db2.gz GGGVHRCFWPOEQI-SECBINFHSA-N 0 1 198.270 0.159 20 0 ACADMN CN(Cc1ccno1)C[C@H](O)C1CC1 676632156 486866951 /nfs/dbraw/zinc/86/69/51/486866951.db2.gz GXQBQVOINHSQCG-JTQLQIEISA-N 0 1 196.250 0.877 20 0 ACADMN CNCc1cn([C@H]2CCC[C@@H]2O)nn1 85272414 486866995 /nfs/dbraw/zinc/86/69/95/486866995.db2.gz QKPUGWQUPZZLCQ-IUCAKERBSA-N 0 1 196.254 0.083 20 0 ACADMN CNCc1cn([C@@H]2CCC[C@H]2O)nn1 85272416 486867026 /nfs/dbraw/zinc/86/70/26/486867026.db2.gz QKPUGWQUPZZLCQ-RKDXNWHRSA-N 0 1 196.254 0.083 20 0 ACADMN CNCc1cn(C[C@@H]2CCCO2)nn1 85272349 486867053 /nfs/dbraw/zinc/86/70/53/486867053.db2.gz JOFPJSMLQOGVOL-VIFPVBQESA-N 0 1 196.254 0.177 20 0 ACADMN CNCc1cn([C@@H]2CCC[C@@H]2O)nn1 85272412 486867106 /nfs/dbraw/zinc/86/71/06/486867106.db2.gz QKPUGWQUPZZLCQ-BDAKNGLRSA-N 0 1 196.254 0.083 20 0 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CC[N@H+]1CCSC[C@H]1CC(=O)[O-] 85611342 486869068 /nfs/dbraw/zinc/86/90/68/486869068.db2.gz YSFSLHXQWGHFBM-SSDOTTSWSA-N 0 1 189.280 0.898 20 0 ACADMN CC[C@H](C(=O)[O-])[N@H+]1C[C@@H]2CC[C@H](C1)O2 85540584 486869543 /nfs/dbraw/zinc/86/95/43/486869543.db2.gz MLXIJHNBQFDNMC-HRDYMLBCSA-N 0 1 199.250 0.713 20 0 ACADMN CC[C@@H](C(=O)[O-])[N@H+]1C[C@@H]2CC[C@H](C1)O2 85540582 486869629 /nfs/dbraw/zinc/86/96/29/486869629.db2.gz MLXIJHNBQFDNMC-YIZRAAEISA-N 0 1 199.250 0.713 20 0 ACADMN CCN(C)C(=O)NCc1cnc[nH]1 85968777 486871593 /nfs/dbraw/zinc/87/15/93/486871593.db2.gz HOGHFCDRLKMISG-UHFFFAOYSA-N 0 1 182.227 0.571 20 0 ACADMN Cc1ncccc1NC(=O)CN 85727873 486870110 /nfs/dbraw/zinc/87/01/10/486870110.db2.gz FQYCRHVHDLEEGX-UHFFFAOYSA-N 0 1 165.196 0.287 20 0 ACADMN CCOCCN1CCc2cn[nH]c2C1 676791799 486870228 /nfs/dbraw/zinc/87/02/28/486870228.db2.gz CIEZMCLJXASYNQ-UHFFFAOYSA-N 0 1 195.266 0.804 20 0 ACADMN CCN(CC)C(=O)NCc1cnc[nH]1 85959344 486870494 /nfs/dbraw/zinc/87/04/94/486870494.db2.gz 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/nfs/dbraw/zinc/87/41/16/486874116.db2.gz FQNDBUZFDWSNKB-UHFFFAOYSA-N 0 1 196.294 0.999 20 0 ACADMN O=C(NCCN1CCC1)c1cc[nH]c1 676948881 486874144 /nfs/dbraw/zinc/87/41/44/486874144.db2.gz MXBSEOQEFVAGHT-UHFFFAOYSA-N 0 1 193.250 0.450 20 0 ACADMN CC[N@H+]1CCC[C@@H](c2n[nH]c(=O)[n-]2)C1 676989618 486874611 /nfs/dbraw/zinc/87/46/11/486874611.db2.gz CRLFJIBAWPHZRN-SSDOTTSWSA-N 0 1 196.254 0.710 20 0 ACADMN CC[N@H+]1CCC[C@H](c2n[nH]c(=O)[n-]2)C1 676989619 486874644 /nfs/dbraw/zinc/87/46/44/486874644.db2.gz CRLFJIBAWPHZRN-ZETCQYMHSA-N 0 1 196.254 0.710 20 0 ACADMN O=C(NCCN1CCC1)NCC1CC1 677005982 486874921 /nfs/dbraw/zinc/87/49/21/486874921.db2.gz JLSPHNITFDPMQR-UHFFFAOYSA-N 0 1 197.282 0.401 20 0 ACADMN CNCc1cn(CCC(C)(C)O)nn1 86237513 486875296 /nfs/dbraw/zinc/87/52/96/486875296.db2.gz SKDOCOLEKINTPW-UHFFFAOYSA-N 0 1 198.270 0.159 20 0 ACADMN CN(C)CC(=O)NCC1(C2CC2)CC1 677005666 486874974 /nfs/dbraw/zinc/87/49/74/486874974.db2.gz HXRCPEOBRPJGIC-UHFFFAOYSA-N 0 1 196.294 0.854 20 0 ACADMN CC(C)(O)CCn1ccnc1CN 86237228 486875348 /nfs/dbraw/zinc/87/53/48/486875348.db2.gz RUYJZBDANPOEQH-UHFFFAOYSA-N 0 1 183.255 0.503 20 0 ACADMN C[C@H](C(=O)[O-])[N@@H+](C)CCC(C)(C)O 86236844 486875731 /nfs/dbraw/zinc/87/57/31/486875731.db2.gz ZCZPYCBFCGMGHW-SSDOTTSWSA-N 0 1 189.255 0.552 20 0 ACADMN C[C@@H](C(=O)[O-])[N@@H+](C)CCC(C)(C)O 86236842 486875756 /nfs/dbraw/zinc/87/57/56/486875756.db2.gz ZCZPYCBFCGMGHW-ZETCQYMHSA-N 0 1 189.255 0.552 20 0 ACADMN CC[N@@H+](CCC(C)(C)O)CC(=O)[O-] 86236806 486875808 /nfs/dbraw/zinc/87/58/08/486875808.db2.gz XUWKJYRXXKVFFO-UHFFFAOYSA-N 0 1 189.255 0.554 20 0 ACADMN CCN(CC(C)=O)CC(C)(C)O 86274360 486877532 /nfs/dbraw/zinc/87/75/32/486877532.db2.gz NLHTXEQELIGWBL-UHFFFAOYSA-N 0 1 173.256 0.668 20 0 ACADMN CC1(C)C[C@@H]1C(=O)NCCN1CCC1 677058449 486878661 /nfs/dbraw/zinc/87/86/61/486878661.db2.gz YDIGZGHIIQMDFF-SECBINFHSA-N 0 1 196.294 0.854 20 0 ACADMN c1cc(CNC2CCOCC2)no1 86452740 486881279 /nfs/dbraw/zinc/88/12/79/486881279.db2.gz 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/nfs/dbraw/zinc/49/25/40/582492540.db2.gz JNWPMWAGWRQIQG-UHFFFAOYSA-N 0 1 198.270 0.066 20 0 ACADMN CC(C)C(=O)[C@H]1CSCCN1 122455346 582492699 /nfs/dbraw/zinc/49/26/99/582492699.db2.gz PZDMGMIHTCDWNJ-SSDOTTSWSA-N 0 1 173.281 0.917 20 0 ACADMN CNC(=O)C[C@H](C)NCc1cc[nH]n1 393692494 582493197 /nfs/dbraw/zinc/49/31/97/582493197.db2.gz YKUFREOTXRMPAN-ZETCQYMHSA-N 0 1 196.254 0.024 20 0 ACADMN CNC(=O)C[C@@H](C)NCc1cc[nH]n1 393692493 582493732 /nfs/dbraw/zinc/49/37/32/582493732.db2.gz YKUFREOTXRMPAN-SSDOTTSWSA-N 0 1 196.254 0.024 20 0 ACADMN CCC(=O)N(C)Cc1n[nH]c(=O)o1 393712872 582494038 /nfs/dbraw/zinc/49/40/38/582494038.db2.gz YVKXKPFHMVYUEM-UHFFFAOYSA-N 0 1 185.183 0.144 20 0 ACADMN CNC(=O)CCCCc1cn[nH]n1 393720680 582494782 /nfs/dbraw/zinc/49/47/82/582494782.db2.gz SJALDFUYZGBDTR-UHFFFAOYSA-N 0 1 182.227 0.264 20 0 ACADMN Cc1ccoc1CN[C@@H]1COC[C@@H]1O 134217722 582496942 /nfs/dbraw/zinc/49/69/42/582496942.db2.gz GOJVLTKPAWNELP-BDAKNGLRSA-N 0 1 197.234 0.437 20 0 ACADMN CC[C@@H](C)CC(=O)N(C)c1nn[nH]n1 892954538 582497725 /nfs/dbraw/zinc/49/77/25/582497725.db2.gz LBYMZESRUTXHSE-ZCFIWIBFSA-N 0 1 197.242 0.599 20 0 ACADMN CN(C(=O)C=C1CCC1)c1nn[nH]n1 892954507 582498096 /nfs/dbraw/zinc/49/80/96/582498096.db2.gz JYYNZNMQTWYBNZ-UHFFFAOYSA-N 0 1 193.210 0.273 20 0 ACADMN O=C(CCF)OCc1c[nH]nn1 892995666 582498475 /nfs/dbraw/zinc/49/84/75/582498475.db2.gz MRDOQZGNVYUCBX-UHFFFAOYSA-N 0 1 173.147 0.208 20 0 ACADMN O=C(CCF)OCCN1CCC1 893267282 582501521 /nfs/dbraw/zinc/50/15/21/582501521.db2.gz WGVXWPJMLWRTOC-UHFFFAOYSA-N 0 1 175.203 0.595 20 0 ACADMN CCc1onc(C)c1CNCCO 893324566 582502387 /nfs/dbraw/zinc/50/23/87/582502387.db2.gz VUMGOPWEKBOYNK-UHFFFAOYSA-N 0 1 184.239 0.627 20 0 ACADMN CCC[C@@H]1C[C@H]1NC(=O)c1ncn[nH]1 227608407 582502656 /nfs/dbraw/zinc/50/26/56/582502656.db2.gz WQKLMCKNZXBEPF-RNFRBKRXSA-N 0 1 194.238 0.723 20 0 ACADMN CCC[C@@H]1C[C@H]1NC(=O)c1nc[nH]n1 227608407 582502658 /nfs/dbraw/zinc/50/26/58/582502658.db2.gz WQKLMCKNZXBEPF-RNFRBKRXSA-N 0 1 194.238 0.723 20 0 ACADMN CC(C)(NC(=O)c1ncn[nH]1)C1CC1 227608213 582502942 /nfs/dbraw/zinc/50/29/42/582502942.db2.gz NVJHJPKMQYFTRC-UHFFFAOYSA-N 0 1 194.238 0.723 20 0 ACADMN CC(C)(NC(=O)c1nc[nH]n1)C1CC1 227608213 582502943 /nfs/dbraw/zinc/50/29/43/582502943.db2.gz NVJHJPKMQYFTRC-UHFFFAOYSA-N 0 1 194.238 0.723 20 0 ACADMN CCN(CCOC)Cc1cn[nH]c1 388344800 582503101 /nfs/dbraw/zinc/50/31/01/582503101.db2.gz LOAROJRPHLLGKU-UHFFFAOYSA-N 0 1 183.255 0.878 20 0 ACADMN OCCN1CCOC2(CCC2)C1 307581769 582506071 /nfs/dbraw/zinc/50/60/71/582506071.db2.gz SDTHCBNPPRBCQG-UHFFFAOYSA-N 0 1 171.240 0.234 20 0 ACADMN COC(=O)[C@@H]1CN(CC(C)=O)C[C@H]1C 602845381 582506242 /nfs/dbraw/zinc/50/62/42/582506242.db2.gz IXJGLXUCBGQMKW-VXNVDRBHSA-N 0 1 199.250 0.316 20 0 ACADMN Cc1cc(N)nc(N(C)[C@H](C)CO)n1 893740846 582508028 /nfs/dbraw/zinc/50/80/28/582508028.db2.gz ZQZCGIXOKOPYBO-SSDOTTSWSA-N 0 1 196.254 0.184 20 0 ACADMN Cc1ncoc1CN1CC[C@H](O)C1 893947547 582508809 /nfs/dbraw/zinc/50/88/09/582508809.db2.gz YBLDGMVLNYOCNN-QMMMGPOBSA-N 0 1 182.223 0.550 20 0 ACADMN Cc1cc(N)nc(N2CC[C@@H](F)C2)n1 894023089 582509118 /nfs/dbraw/zinc/50/91/18/582509118.db2.gz JSONSFYPNGEAPZ-SSDOTTSWSA-N 0 1 196.229 0.915 20 0 ACADMN Cc1cc(N)nc(N2CC[C@H](F)C2)n1 894023090 582509284 /nfs/dbraw/zinc/50/92/84/582509284.db2.gz JSONSFYPNGEAPZ-ZETCQYMHSA-N 0 1 196.229 0.915 20 0 ACADMN CC[C@@H](CO)NCc1ocnc1C 894157598 582510531 /nfs/dbraw/zinc/51/05/31/582510531.db2.gz WHSAMBYGBGKFBQ-QMMMGPOBSA-N 0 1 184.239 0.844 20 0 ACADMN CC[C@H](CO)NCc1ocnc1C 894157597 582510594 /nfs/dbraw/zinc/51/05/94/582510594.db2.gz WHSAMBYGBGKFBQ-MRVPVSSYSA-N 0 1 184.239 0.844 20 0 ACADMN COC[C@H]1CCN([C@@H]2CCOC2=O)C1 739922553 582512616 /nfs/dbraw/zinc/51/26/16/582512616.db2.gz SEZKQFQGHVYJHV-DTWKUNHWSA-N 0 1 199.250 0.270 20 0 ACADMN COC[C@@H]1CCN([C@H]2CCOC2=O)C1 739922551 582512774 /nfs/dbraw/zinc/51/27/74/582512774.db2.gz SEZKQFQGHVYJHV-BDAKNGLRSA-N 0 1 199.250 0.270 20 0 ACADMN COC[C@H]1CCN([C@H]2CCOC2=O)C1 739922556 582512797 /nfs/dbraw/zinc/51/27/97/582512797.db2.gz SEZKQFQGHVYJHV-IUCAKERBSA-N 0 1 199.250 0.270 20 0 ACADMN CCC(F)(F)C(=O)N1CCNCC1 205301575 582512819 /nfs/dbraw/zinc/51/28/19/582512819.db2.gz VYHGGZHLOXOBEL-UHFFFAOYSA-N 0 1 192.209 0.464 20 0 ACADMN COC[C@@H]1CCN([C@@H]2CCOC2=O)C1 739922559 582512850 /nfs/dbraw/zinc/51/28/50/582512850.db2.gz SEZKQFQGHVYJHV-RKDXNWHRSA-N 0 1 199.250 0.270 20 0 ACADMN c1cnc(N2CC[N@H+]3CC[C@H]2C3)nc1 307163873 582513698 /nfs/dbraw/zinc/51/36/98/582513698.db2.gz DBVSXERYKWQLNH-VIFPVBQESA-N 0 1 190.250 0.371 20 0 ACADMN Cc1ncoc1CNCC1(CO)CC1 894325595 582514040 /nfs/dbraw/zinc/51/40/40/582514040.db2.gz WFADDHNGKSWPFH-UHFFFAOYSA-N 0 1 196.250 0.845 20 0 ACADMN Cc1ncoc1CNCCN1CCC1 894354807 582514215 /nfs/dbraw/zinc/51/42/15/582514215.db2.gz OHLJVJNBWCOLRV-UHFFFAOYSA-N 0 1 195.266 0.778 20 0 ACADMN Cc1ncoc1CNC1(CO)CCC1 894375038 582514500 /nfs/dbraw/zinc/51/45/00/582514500.db2.gz LZVGETBBHHAXSB-UHFFFAOYSA-N 0 1 196.250 0.988 20 0 ACADMN Cc1ncoc1CN[C@H]1CCOC1 894355018 582514627 /nfs/dbraw/zinc/51/46/27/582514627.db2.gz QJEXKYUZYNUMHV-QMMMGPOBSA-N 0 1 182.223 0.862 20 0 ACADMN Cc1ncoc1CN[C@@H]1CCOC1 894355005 582514678 /nfs/dbraw/zinc/51/46/78/582514678.db2.gz QJEXKYUZYNUMHV-MRVPVSSYSA-N 0 1 182.223 0.862 20 0 ACADMN Cc1ncoc1CNC(C)(C)CO 894391108 582515054 /nfs/dbraw/zinc/51/50/54/582515054.db2.gz ATZHDVVQTLHKMB-UHFFFAOYSA-N 0 1 184.239 0.844 20 0 ACADMN Cc1ncoc1CN(C)C1CC(O)C1 894461218 582515662 /nfs/dbraw/zinc/51/56/62/582515662.db2.gz FDQPSLJEAJOQKP-UHFFFAOYSA-N 0 1 196.250 0.938 20 0 ACADMN Cc1ncoc1CN(C)C[C@@H](C)O 894451052 582515742 /nfs/dbraw/zinc/51/57/42/582515742.db2.gz ZLUJAMKCFRPHQQ-SSDOTTSWSA-N 0 1 184.239 0.796 20 0 ACADMN Cc1ncoc1CN(C)C[C@H](C)O 894451053 582515777 /nfs/dbraw/zinc/51/57/77/582515777.db2.gz ZLUJAMKCFRPHQQ-ZETCQYMHSA-N 0 1 184.239 0.796 20 0 ACADMN Cc1nnc([C@H](C)N[C@H](C)CCO)[nH]1 894468139 582515823 /nfs/dbraw/zinc/51/58/23/582515823.db2.gz UBMGTTQHJIRTLH-RQJHMYQMSA-N 0 1 198.270 0.535 20 0 ACADMN Cc1nnc([C@@H](C)N[C@@H](C)CCO)[nH]1 894468136 582516012 /nfs/dbraw/zinc/51/60/12/582516012.db2.gz UBMGTTQHJIRTLH-NKWVEPMBSA-N 0 1 198.270 0.535 20 0 ACADMN Cc1nnc([C@@H](C)N[C@H](C)CCO)[nH]1 894468137 582516279 /nfs/dbraw/zinc/51/62/79/582516279.db2.gz UBMGTTQHJIRTLH-RNFRBKRXSA-N 0 1 198.270 0.535 20 0 ACADMN Cc1nnc([C@H](C)N[C@@H](C)CCO)[nH]1 894468129 582516304 /nfs/dbraw/zinc/51/63/04/582516304.db2.gz UBMGTTQHJIRTLH-BQBZGAKWSA-N 0 1 198.270 0.535 20 0 ACADMN Cc1ncoc1CN1C[C@@H](O)C[C@H]1C 894539359 582516850 /nfs/dbraw/zinc/51/68/50/582516850.db2.gz QUNRETHVWXEDCN-APPZFPTMSA-N 0 1 196.250 0.938 20 0 ACADMN Cc1ncoc1CN1C[C@H](O)C[C@H]1C 894539362 582516943 /nfs/dbraw/zinc/51/69/43/582516943.db2.gz QUNRETHVWXEDCN-VXNVDRBHSA-N 0 1 196.250 0.938 20 0 ACADMN Cc1ncoc1CN1C[C@H](O)C[C@@H]1C 894539361 582516966 /nfs/dbraw/zinc/51/69/66/582516966.db2.gz QUNRETHVWXEDCN-IONNQARKSA-N 0 1 196.250 0.938 20 0 ACADMN Cc1ncoc1CN(C)CCCO 894663437 582517306 /nfs/dbraw/zinc/51/73/06/582517306.db2.gz 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/nfs/dbraw/zinc/51/82/14/582518214.db2.gz AYIHANZOFHULPQ-SSDOTTSWSA-N 0 1 184.239 0.796 20 0 ACADMN COC1(C)CN(Cc2cnc[nH]2)C1 894780364 582518357 /nfs/dbraw/zinc/51/83/57/582518357.db2.gz BITYTFVFJOHONW-UHFFFAOYSA-N 0 1 181.239 0.630 20 0 ACADMN CCC(=O)[C@H]1CSCCN1 122460582 582518426 /nfs/dbraw/zinc/51/84/26/582518426.db2.gz CVYCJUWGYXZJCI-ZCFIWIBFSA-N 0 1 159.254 0.671 20 0 ACADMN CCC(=O)[C@@H]1CSCCN1 122460449 582518438 /nfs/dbraw/zinc/51/84/38/582518438.db2.gz CVYCJUWGYXZJCI-LURJTMIESA-N 0 1 159.254 0.671 20 0 ACADMN Cc1nnc(N2CC(N(C)C)C2)o1 306495172 582519619 /nfs/dbraw/zinc/51/96/19/582519619.db2.gz BMOPYWWCZZGYIY-UHFFFAOYSA-N 0 1 182.227 0.128 20 0 ACADMN Cc1noc(OCc2c[nH]nn2)n1 306508914 582520000 /nfs/dbraw/zinc/52/00/00/582520000.db2.gz IUPUEFCCSYOPRU-UHFFFAOYSA-N 0 1 181.155 0.075 20 0 ACADMN c1coc(CNC[C@H]2COCO2)c1 894869727 582520328 /nfs/dbraw/zinc/52/03/28/582520328.db2.gz CYVUQULRDMSEIF-VIFPVBQESA-N 0 1 183.207 0.742 20 0 ACADMN c1coc(CNC[C@@H]2COCO2)c1 894869722 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C=C=CCNC(=O)CN(C)C1CCC1 880083757 583425900 /nfs/dbraw/zinc/42/59/00/583425900.db2.gz URIUYNOBEJSGPZ-UHFFFAOYSA-N 0 1 194.278 0.928 20 0 ACADMN CN(C)C(=O)CN1CCC(F)CC1 880238389 583426922 /nfs/dbraw/zinc/42/69/22/583426922.db2.gz DRWBSAYXKUJXAR-UHFFFAOYSA-N 0 1 188.246 0.509 20 0 ACADMN CNC(=O)CN1CCC[C@H](CF)C1 880236381 583427007 /nfs/dbraw/zinc/42/70/07/583427007.db2.gz YPHGAGOCRWREQT-MRVPVSSYSA-N 0 1 188.246 0.414 20 0 ACADMN CNC(=O)CN1CCC[C@@H](CF)C1 880236391 583427292 /nfs/dbraw/zinc/42/72/92/583427292.db2.gz YPHGAGOCRWREQT-QMMMGPOBSA-N 0 1 188.246 0.414 20 0 ACADMN CNC(=O)CN1CCC(F)CC1 880239353 583427452 /nfs/dbraw/zinc/42/74/52/583427452.db2.gz FAUCBDZNUBFTNI-UHFFFAOYSA-N 0 1 174.219 0.166 20 0 ACADMN C[S@@](=O)CCN1CCC(F)CC1 880239310 583427906 /nfs/dbraw/zinc/42/79/06/583427906.db2.gz DZVBPLSEJVZKNW-GFCCVEGCSA-N 0 1 193.287 0.799 20 0 ACADMN CCNC(=O)CN1CCC(F)CC1 880243906 583428268 /nfs/dbraw/zinc/42/82/68/583428268.db2.gz YINMXVKQWNQDGT-UHFFFAOYSA-N 0 1 188.246 0.556 20 0 ACADMN FC[C@H]1CCCN(Cc2c[nH]nn2)C1 880238085 583428274 /nfs/dbraw/zinc/42/82/74/583428274.db2.gz OBQCDHZNVABAGA-MRVPVSSYSA-N 0 1 198.245 0.986 20 0 ACADMN C[S@](=O)CCN1CCC(F)CC1 880239312 583428568 /nfs/dbraw/zinc/42/85/68/583428568.db2.gz DZVBPLSEJVZKNW-LBPRGKRZSA-N 0 1 193.287 0.799 20 0 ACADMN FC[C@@H]1CCCN(Cc2c[nH]nn2)C1 880238086 583428618 /nfs/dbraw/zinc/42/86/18/583428618.db2.gz OBQCDHZNVABAGA-QMMMGPOBSA-N 0 1 198.245 0.986 20 0 ACADMN FC1CCN(CC2OCCO2)CC1 880240216 583428626 /nfs/dbraw/zinc/42/86/26/583428626.db2.gz PZXNQOSIIADXTD-UHFFFAOYSA-N 0 1 189.230 0.793 20 0 ACADMN FC1CC[NH+](CCc2cn[nH]n2)CC1 880239970 583428642 /nfs/dbraw/zinc/42/86/42/583428642.db2.gz UYMRNQJVCVFPML-UHFFFAOYSA-N 0 1 198.245 0.781 20 0 ACADMN CCNC(=O)CN1CC[C@H](CF)C1 880290668 583429183 /nfs/dbraw/zinc/42/91/83/583429183.db2.gz AQXRVKSEOUACSB-MRVPVSSYSA-N 0 1 188.246 0.414 20 0 ACADMN Cc1nc(CN2CC[C@@H](CF)C2)n[nH]1 880300825 583430562 /nfs/dbraw/zinc/43/05/62/583430562.db2.gz XJGJQXAURVTVGW-QMMMGPOBSA-N 0 1 198.245 0.905 20 0 ACADMN CCNC(=O)CN1CC[C@@H](CF)C1 880290669 583429653 /nfs/dbraw/zinc/42/96/53/583429653.db2.gz AQXRVKSEOUACSB-QMMMGPOBSA-N 0 1 188.246 0.414 20 0 ACADMN C[C@@H](C(=O)[O-])[N@H+](C)C[C@@H](C)CO 128396705 583430259 /nfs/dbraw/zinc/43/02/59/583430259.db2.gz VCYNVLSXNCFNSJ-RQJHMYQMSA-N 0 1 175.228 0.020 20 0 ACADMN Cn1nncc1CN1CC[C@@H](CF)C1 880300905 583430283 /nfs/dbraw/zinc/43/02/83/583430283.db2.gz YJMGROBQZVVZFQ-QMMMGPOBSA-N 0 1 198.245 0.607 20 0 ACADMN C[C@H](CO)C[N@@H+](C)[C@@H](C)C(=O)[O-] 128396498 583430711 /nfs/dbraw/zinc/43/07/11/583430711.db2.gz VCYNVLSXNCFNSJ-BQBZGAKWSA-N 0 1 175.228 0.020 20 0 ACADMN Cn1nncc1CN1CC[C@H](CF)C1 880300903 583430851 /nfs/dbraw/zinc/43/08/51/583430851.db2.gz YJMGROBQZVVZFQ-MRVPVSSYSA-N 0 1 198.245 0.607 20 0 ACADMN Cc1nc(CN2CC[C@H](CF)C2)n[nH]1 880300824 583431116 /nfs/dbraw/zinc/43/11/16/583431116.db2.gz XJGJQXAURVTVGW-MRVPVSSYSA-N 0 1 198.245 0.905 20 0 ACADMN C[C@@H](O)CC[N@@H+](C)CCC(=O)[O-] 128434341 583431488 /nfs/dbraw/zinc/43/14/88/583431488.db2.gz MLWQGPMXNICOON-SSDOTTSWSA-N 0 1 175.228 0.164 20 0 ACADMN C[C@H](O)CC[N@@H+](C)CCCC(=O)[O-] 128415837 583432389 /nfs/dbraw/zinc/43/23/89/583432389.db2.gz JNGNCGLTCYVWRS-QMMMGPOBSA-N 0 1 189.255 0.554 20 0 ACADMN C[C@@H](O)CC[N@@H+](C)CCCC(=O)[O-] 128416079 583432562 /nfs/dbraw/zinc/43/25/62/583432562.db2.gz JNGNCGLTCYVWRS-MRVPVSSYSA-N 0 1 189.255 0.554 20 0 ACADMN C[C@H](C(=O)NC1CSC1)N(C)C 880726301 583437446 /nfs/dbraw/zinc/43/74/46/583437446.db2.gz XWBJCVMYGPRZGF-ZCFIWIBFSA-N 0 1 188.296 0.168 20 0 ACADMN FCCN1CCc2ncncc2C1 880597285 583438175 /nfs/dbraw/zinc/43/81/75/583438175.db2.gz RDSMZZVBFLJXLJ-UHFFFAOYSA-N 0 1 181.214 0.804 20 0 ACADMN C[C@@H](C(=O)NC1CSC1)N(C)C 880726798 583438293 /nfs/dbraw/zinc/43/82/93/583438293.db2.gz XWBJCVMYGPRZGF-LURJTMIESA-N 0 1 188.296 0.168 20 0 ACADMN O=C([O-])[C@@H]1CC[N@@H+](Cc2ccon2)C1 211419415 583440854 /nfs/dbraw/zinc/44/08/54/583440854.db2.gz OXHFNVYHMUCNHN-SSDOTTSWSA-N 0 1 196.206 0.581 20 0 ACADMN C/C=C\C(=O)N1CC[N@@H+](C)[C@H](C)C1 211355789 583440869 /nfs/dbraw/zinc/44/08/69/583440869.db2.gz YWNLLNNYIDWAFJ-XRVBUDJMSA-N 0 1 182.267 0.725 20 0 ACADMN C/C=C\C(=O)N1CCN(C)[C@H](C)C1 211355789 583440871 /nfs/dbraw/zinc/44/08/71/583440871.db2.gz YWNLLNNYIDWAFJ-XRVBUDJMSA-N 0 1 182.267 0.725 20 0 ACADMN O=C([O-])[C@H]1CC[N@@H+](Cc2cn[nH]c2)C1 211419515 583440989 /nfs/dbraw/zinc/44/09/89/583440989.db2.gz YRMJVBJLZIUDJE-QMMMGPOBSA-N 0 1 195.222 0.316 20 0 ACADMN O=C([O-])[C@H]1CC[N@@H+](Cc2cc[nH]n2)C1 211419860 583441265 /nfs/dbraw/zinc/44/12/65/583441265.db2.gz VETRRSRVWLRKAV-ZETCQYMHSA-N 0 1 195.222 0.316 20 0 ACADMN O=C([O-])[C@@H]1CC[N@@H+](Cc2cc[nH]n2)C1 211419940 583441276 /nfs/dbraw/zinc/44/12/76/583441276.db2.gz VETRRSRVWLRKAV-SSDOTTSWSA-N 0 1 195.222 0.316 20 0 ACADMN Cc1nc(NCC(=O)[O-])c(C)c(C)[nH+]1 211531146 583442681 /nfs/dbraw/zinc/44/26/81/583442681.db2.gz KSCAPXHIRJGFJH-UHFFFAOYSA-N 0 1 195.222 0.898 20 0 ACADMN CNCc1cn(C/C=C\Cl)nn1 881428453 583442703 /nfs/dbraw/zinc/44/27/03/583442703.db2.gz WJKAKXWYPTWEPK-IHWYPQMZSA-N 0 1 186.646 0.750 20 0 ACADMN CC=CC(=O)NCCCc1nc[nH]n1 211542745 583442860 /nfs/dbraw/zinc/44/28/60/583442860.db2.gz PNNARZCHVBXUBY-RQOWECAXSA-N 0 1 194.238 0.430 20 0 ACADMN CNCc1cn(C/C=C/Cl)nn1 881428454 583443110 /nfs/dbraw/zinc/44/31/10/583443110.db2.gz WJKAKXWYPTWEPK-NSCUHMNNSA-N 0 1 186.646 0.750 20 0 ACADMN C[C@@H]1CCN1C(=O)CN(C)C 881480143 583443845 /nfs/dbraw/zinc/44/38/45/583443845.db2.gz NSZPRHYQOISDJR-SSDOTTSWSA-N 0 1 156.229 0.169 20 0 ACADMN C[C@H]1CCN1C(=O)CN(C)C 881480144 583443934 /nfs/dbraw/zinc/44/39/34/583443934.db2.gz NSZPRHYQOISDJR-ZETCQYMHSA-N 0 1 156.229 0.169 20 0 ACADMN CO[C@H]1CCC[N@@H+](CC(=O)[O-])CC1 211709148 583445766 /nfs/dbraw/zinc/44/57/66/583445766.db2.gz OMWVPJHEGVLBCD-QMMMGPOBSA-N 0 1 187.239 0.572 20 0 ACADMN C[C@@H]1CCN1C(=O)CCc1cnc[nH]1 881483170 583444830 /nfs/dbraw/zinc/44/48/30/583444830.db2.gz ZKQQXPDVZLLZAJ-MRVPVSSYSA-N 0 1 193.250 0.963 20 0 ACADMN C[C@H]1CCN1C(=O)CCc1cnc[nH]1 881483171 583444761 /nfs/dbraw/zinc/44/47/61/583444761.db2.gz ZKQQXPDVZLLZAJ-QMMMGPOBSA-N 0 1 193.250 0.963 20 0 ACADMN Cc1nn[nH]c1C(=O)N1CC[C@H]1C 881483015 583444857 /nfs/dbraw/zinc/44/48/57/583444857.db2.gz WOHLFURVWUSNON-RXMQYKEDSA-N 0 1 180.211 0.348 20 0 ACADMN Cc1nn[nH]c1C(=O)N1CC[C@@H]1C 881483018 583445159 /nfs/dbraw/zinc/44/51/59/583445159.db2.gz WOHLFURVWUSNON-YFKPBYRVSA-N 0 1 180.211 0.348 20 0 ACADMN O=C(c1ccn[nH]1)N1CC[C@H](CF)C1 881665072 583445601 /nfs/dbraw/zinc/44/56/01/583445601.db2.gz CCAWINKFYQAZPM-SSDOTTSWSA-N 0 1 197.213 0.841 20 0 ACADMN CO[C@@H]1CCC[N@@H+](CC(=O)[O-])CC1 211709077 583445618 /nfs/dbraw/zinc/44/56/18/583445618.db2.gz OMWVPJHEGVLBCD-MRVPVSSYSA-N 0 1 187.239 0.572 20 0 ACADMN CN(C)CC(=O)N1CC[C@H](CF)C1 881666388 583445781 /nfs/dbraw/zinc/44/57/81/583445781.db2.gz AQBRYWKDPGGNHM-MRVPVSSYSA-N 0 1 188.246 0.366 20 0 ACADMN CN(C)CC(=O)N1CC[C@@H](CF)C1 881666389 583445835 /nfs/dbraw/zinc/44/58/35/583445835.db2.gz AQBRYWKDPGGNHM-QMMMGPOBSA-N 0 1 188.246 0.366 20 0 ACADMN O=C(c1ccn[nH]1)N1CCC(F)CC1 881610118 583445848 /nfs/dbraw/zinc/44/58/48/583445848.db2.gz WBEKTEXNEHZJDX-UHFFFAOYSA-N 0 1 197.213 0.984 20 0 ACADMN O=C(c1ccn[nH]1)N1CC[C@@H](CF)C1 881665073 583445955 /nfs/dbraw/zinc/44/59/55/583445955.db2.gz CCAWINKFYQAZPM-ZETCQYMHSA-N 0 1 197.213 0.841 20 0 ACADMN O=C(c1cnc[nH]1)N1CC[C@@H](CF)C1 881668013 583446023 /nfs/dbraw/zinc/44/60/23/583446023.db2.gz NDFDCWPTCGJJQO-ZETCQYMHSA-N 0 1 197.213 0.841 20 0 ACADMN O=C(c1cnc[nH]1)N1CCC(F)CC1 881609005 583446077 /nfs/dbraw/zinc/44/60/77/583446077.db2.gz XYICYFZEXGCUOB-UHFFFAOYSA-N 0 1 197.213 0.984 20 0 ACADMN O=C(c1cnc[nH]1)N1CC[C@H](CF)C1 881668012 583446106 /nfs/dbraw/zinc/44/61/06/583446106.db2.gz NDFDCWPTCGJJQO-SSDOTTSWSA-N 0 1 197.213 0.841 20 0 ACADMN CN(C)CC(=O)N1CCC(F)CC1 881609060 583446282 /nfs/dbraw/zinc/44/62/82/583446282.db2.gz YTVUWPNZLFIDMN-UHFFFAOYSA-N 0 1 188.246 0.509 20 0 ACADMN COC[C@H](C)C[N@@H+](C)CCC(=O)[O-] 129251915 583447079 /nfs/dbraw/zinc/44/70/79/583447079.db2.gz DPNCRNKOWZBWHB-MRVPVSSYSA-N 0 1 189.255 0.675 20 0 ACADMN COC[C@@H](C)C[N@@H+](C)CCC(=O)[O-] 129251715 583447266 /nfs/dbraw/zinc/44/72/66/583447266.db2.gz DPNCRNKOWZBWHB-QMMMGPOBSA-N 0 1 189.255 0.675 20 0 ACADMN COC[C@@H](C)C[N@@H+](C)[C@@H](C)C(=O)[O-] 129252615 583448082 /nfs/dbraw/zinc/44/80/82/583448082.db2.gz ZEPNNTMQHQUEMR-YUMQZZPRSA-N 0 1 189.255 0.674 20 0 ACADMN Cc1cncnc1NOCC(C)(C)O 882273384 583451166 /nfs/dbraw/zinc/45/11/66/583451166.db2.gz MXTNJMXYDHRISF-UHFFFAOYSA-N 0 1 197.238 0.899 20 0 ACADMN CCOC[C@@H](C)NCc1cnnn1C 129747090 583453654 /nfs/dbraw/zinc/45/36/54/583453654.db2.gz ALIWCVHYKHOLER-MRVPVSSYSA-N 0 1 198.270 0.330 20 0 ACADMN CCN1CC[C@@H]1CNC(=O)[C@H]1C[C@@H]1C 882479796 583453755 /nfs/dbraw/zinc/45/37/55/583453755.db2.gz GDEFKIZWEYQBCW-AEJSXWLSSA-N 0 1 196.294 0.853 20 0 ACADMN CCN1CC[C@H]1CNC(=O)C1(C)CC1 882490124 583453778 /nfs/dbraw/zinc/45/37/78/583453778.db2.gz ZMEDKDAQKQGEPT-VIFPVBQESA-N 0 1 196.294 0.997 20 0 ACADMN CCN1CC[C@H]1CNC(=O)C1CCC1 882479006 583453907 /nfs/dbraw/zinc/45/39/07/583453907.db2.gz KVLXAKGIMIZPLL-JTQLQIEISA-N 0 1 196.294 0.997 20 0 ACADMN CCN1CC[C@@H]1CNC(=O)C1(C)CC1 882490123 583453941 /nfs/dbraw/zinc/45/39/41/583453941.db2.gz ZMEDKDAQKQGEPT-SECBINFHSA-N 0 1 196.294 0.997 20 0 ACADMN CCN1CC[C@H]1CNC(=O)[C@H]1C[C@@H]1C 882489756 583453993 /nfs/dbraw/zinc/45/39/93/583453993.db2.gz GDEFKIZWEYQBCW-GUBZILKMSA-N 0 1 196.294 0.853 20 0 ACADMN CCN1CC[C@H]1CNC(=O)[C@@H]1C[C@H]1C 882491353 583454004 /nfs/dbraw/zinc/45/40/04/583454004.db2.gz GDEFKIZWEYQBCW-KXUCPTDWSA-N 0 1 196.294 0.853 20 0 ACADMN CCN1CC[C@@H]1CNC(=O)[C@@H]1C[C@H]1C 882479799 583454049 /nfs/dbraw/zinc/45/40/49/583454049.db2.gz GDEFKIZWEYQBCW-OPRDCNLKSA-N 0 1 196.294 0.853 20 0 ACADMN CCN1CC[C@@H]1CNC(=O)C1CCC1 882479007 583454096 /nfs/dbraw/zinc/45/40/96/583454096.db2.gz KVLXAKGIMIZPLL-SNVBAGLBSA-N 0 1 196.294 0.997 20 0 ACADMN Nc1ccnc(C2(N)CCC2)n1 213464362 583458383 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169155605 /nfs/dbraw/zinc/15/56/05/169155605.db2.gz YUNCSKKLFKXBIR-LURJTMIESA-N 0 1 154.169 0.155 20 0 ACADMN NC(=O)N1CCN(CC2CC2)CC1 42350399 169156269 /nfs/dbraw/zinc/15/62/69/169156269.db2.gz WWAZOJMYUIRYQW-UHFFFAOYSA-N 0 1 183.255 0.093 20 0 ACADMN NC(=O)N[C@@H]1CCCc2cn[nH]c21 307705599 169157686 /nfs/dbraw/zinc/15/76/86/169157686.db2.gz YUGFXTGOLBDGPS-ZCFIWIBFSA-N 0 1 180.211 0.455 20 0 ACADMN NC(=O)Nc1nc2c(s1)CNCC2 36233214 169159188 /nfs/dbraw/zinc/15/91/88/169159188.db2.gz QLBQXMAFVWTGDP-UHFFFAOYSA-N 0 1 198.251 0.279 20 0 ACADMN NC(=O)[C@@H](N)Cc1cccs1 5769840 169159249 /nfs/dbraw/zinc/15/92/49/169159249.db2.gz KUKXXILGYGAFDE-LURJTMIESA-N 0 1 170.237 0.103 20 0 ACADMN NC(=O)[C@@H](N)c1c[nH]c2ccccc12 77274525 169159623 /nfs/dbraw/zinc/15/96/23/169159623.db2.gz LZCIHKQXVSURIY-VIFPVBQESA-N 0 1 189.218 0.653 20 0 in-vitro ACADMN NC(=O)[C@@H](N)c1ccc2c(c1)CCO2 37460143 169159785 /nfs/dbraw/zinc/15/97/85/169159785.db2.gz GEAAHHFYMFKPMN-VIFPVBQESA-N 0 1 192.218 0.107 20 0 ACADMN 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657484925 409479002 /nfs/dbraw/zinc/47/90/02/409479002.db2.gz RGRAGIKWKSRWJB-OCAPTIKFSA-N 0 1 181.239 0.331 20 0 ACADMN Cc1c[nH]c(CN[C@H]2CO[C@@H](C)C2)n1 657500480 409479164 /nfs/dbraw/zinc/47/91/64/409479164.db2.gz ONOOTEBHUREURM-DTWKUNHWSA-N 0 1 195.266 0.985 20 0 ACADMN Cc1c[nH]c(CN[C@@H]2CCC[C@H]2O)n1 657489610 409479230 /nfs/dbraw/zinc/47/92/30/409479230.db2.gz SCCCALVLSLRZAI-RKDXNWHRSA-N 0 1 195.266 0.721 20 0 ACADMN Cc1c[nH]c(CN[C@@H]2CO[C@H](C)C2)n1 657500479 409479475 /nfs/dbraw/zinc/47/94/75/409479475.db2.gz ONOOTEBHUREURM-BDAKNGLRSA-N 0 1 195.266 0.985 20 0 ACADMN Cn1cc(CN[C@]23CCC[C@H]2C3)nn1 657549956 409479511 /nfs/dbraw/zinc/47/95/11/409479511.db2.gz GNLMVUAJESYYQO-WPRPVWTQSA-N 0 1 192.266 0.847 20 0 ACADMN CC[C@@H](O)CNCc1nc(C)c[nH]1 657493927 409479589 /nfs/dbraw/zinc/47/95/89/409479589.db2.gz KIEDZISZCURAIL-MRVPVSSYSA-N 0 1 183.255 0.579 20 0 ACADMN CC[C@@H](O)CNCc1nc(C)c(C)[nH]1 657493445 409479856 /nfs/dbraw/zinc/47/98/56/409479856.db2.gz 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KSOFKDJEGIVIFE-RKDXNWHRSA-N 0 1 199.250 0.938 20 0 ACADMN COC[C@H](CO)N[C@H](C)c1ccoc1 234841453 538244210 /nfs/dbraw/zinc/24/42/10/538244210.db2.gz DGPIYHHMPYDIEK-SCZZXKLOSA-N 0 1 199.250 0.938 20 0 ACADMN COC[C@@H](CO)N[C@@H](C)c1ccoc1 234892721 538244224 /nfs/dbraw/zinc/24/42/24/538244224.db2.gz DGPIYHHMPYDIEK-WCBMZHEXSA-N 0 1 199.250 0.938 20 0 ACADMN COC[C@H](CO)N[C@H](C)c1ccco1 234841299 538244451 /nfs/dbraw/zinc/24/44/51/538244451.db2.gz KSOFKDJEGIVIFE-BDAKNGLRSA-N 0 1 199.250 0.938 20 0 ACADMN Cn1cnc(CNC[C@@H]2CCCO2)c1 236132024 538249260 /nfs/dbraw/zinc/24/92/60/538249260.db2.gz GYHPNHGOCFLRCP-JTQLQIEISA-N 0 1 195.266 0.689 20 0 ACADMN OCCCCNCc1cc[nH]n1 236499378 538250240 /nfs/dbraw/zinc/25/02/40/538250240.db2.gz XWQGRVCHHLGUSG-UHFFFAOYSA-N 0 1 169.228 0.272 20 0 ACADMN NC(=O)C1(NCc2cccs2)CC1 236270625 538251638 /nfs/dbraw/zinc/25/16/38/538251638.db2.gz NEWJJQSBIIBCPN-UHFFFAOYSA-N 0 1 196.275 0.856 20 0 ACADMN Cn1cnc(CNC[C@H]2CCCO2)c1 236132927 538252144 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