smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)(C)CN1CC(C)(O)C1 17416766 1169057483 /nfs/dbraw/zinc/05/74/83/1169057483.db2.gz NTOHISTYXPCBNI-UHFFFAOYSA-N 0 1 157.257 1.099 10 0 ADAEMN Cc1cccn2c(CN(C)C)cnc12 31933432 1169065692 /nfs/dbraw/zinc/06/56/92/1169065692.db2.gz GJRYMHYSYSEDGQ-UHFFFAOYSA-N 0 1 189.262 1.704 10 0 ADAEMN COc1ccc(CN(C)C)c(OC)c1 32191050 1169066102 /nfs/dbraw/zinc/06/61/02/1169066102.db2.gz XCERLRLUSXOZDR-UHFFFAOYSA-N 0 1 195.262 1.765 10 0 ADAEMN Cc1ccn2c(CN(C)C)cnc2c1 31933431 1169067139 /nfs/dbraw/zinc/06/71/39/1169067139.db2.gz NYPWXWJZKUUEQD-UHFFFAOYSA-N 0 1 189.262 1.704 10 0 ADAEMN Cc1nc2ccccn2c1CN(C)C 31933022 1169067238 /nfs/dbraw/zinc/06/72/38/1169067238.db2.gz BRTMGTDMXLQVEL-UHFFFAOYSA-N 0 1 189.262 1.704 10 0 ADAEMN Cn1[nH]c(C2CCCCC2)cc1=O 34497236 1169071549 /nfs/dbraw/zinc/07/15/49/1169071549.db2.gz GLPCQGFZPVZUSV-UHFFFAOYSA-N 0 1 180.251 1.785 10 0 ADAEMN CC(C)Oc1ccc2[nH]nnc2c1 40538876 1169088848 /nfs/dbraw/zinc/08/88/48/1169088848.db2.gz DPMXIYONESYTLT-UHFFFAOYSA-N 0 1 177.207 1.745 10 0 ADAEMN CN(C)c1ccc2[nH]c(CN)nc2c1 40539086 1169089305 /nfs/dbraw/zinc/08/93/05/1169089305.db2.gz FYUPMQRIXUPOSK-UHFFFAOYSA-N 0 1 190.250 1.088 10 0 ADAEMN CCCCC[C@H](C)n1nnnc1CN 54748213 1169093716 /nfs/dbraw/zinc/09/37/16/1169093716.db2.gz RXSMYJNIOPPMQH-QMMMGPOBSA-N 0 1 197.286 1.273 10 0 ADAEMN CCCN(CC)c1nccnc1CN 54377103 1169094260 /nfs/dbraw/zinc/09/42/60/1169094260.db2.gz FXFNKLUGFATWHD-UHFFFAOYSA-N 0 1 194.282 1.172 10 0 ADAEMN CC(C)CN(C)c1nccnc1CN 54377128 1169094569 /nfs/dbraw/zinc/09/45/69/1169094569.db2.gz AFSMRFCLTLUVHT-UHFFFAOYSA-N 0 1 194.282 1.028 10 0 ADAEMN CCCCC[C@@H](C)n1nnnc1CN 54748212 1169096709 /nfs/dbraw/zinc/09/67/09/1169096709.db2.gz RXSMYJNIOPPMQH-MRVPVSSYSA-N 0 1 197.286 1.273 10 0 ADAEMN CCC(CC)NCc1ncccn1 54458780 1169097603 /nfs/dbraw/zinc/09/76/03/1169097603.db2.gz ZKLFGEHNNODJRA-UHFFFAOYSA-N 0 1 179.267 1.755 10 0 ADAEMN Cc1ncc(CN(C)C)s1 59843607 1169098210 /nfs/dbraw/zinc/09/82/10/1169098210.db2.gz VPCJHYDHYKNQKJ-UHFFFAOYSA-N 0 1 156.254 1.513 10 0 ADAEMN C[N@H+]1CC[C@@H](Oc2ccncc2)C1 60313557 1169098539 /nfs/dbraw/zinc/09/85/39/1169098539.db2.gz PQWHBQIZAUHVKE-SNVBAGLBSA-N 0 1 178.235 1.165 10 0 ADAEMN CC(=O)C[N@@H+](C)CC1CCC1 61480373 1169100006 /nfs/dbraw/zinc/10/00/06/1169100006.db2.gz VCIJNEHZEOYRCI-UHFFFAOYSA-N 0 1 155.241 1.307 10 0 ADAEMN Cc1nn(C)cc1Nc1ccncc1 59702811 1169100535 /nfs/dbraw/zinc/10/05/35/1169100535.db2.gz OGXRDURXYSSNRW-UHFFFAOYSA-N 0 1 188.234 1.867 10 0 ADAEMN c1ccc2[nH]c(-c3c[nH]nn3)nc2c1 79789022 1169102999 /nfs/dbraw/zinc/10/29/99/1169102999.db2.gz NLOXYFLUIXGLPW-UHFFFAOYSA-N 0 1 185.190 1.348 10 0 ADAEMN c1ccc(-c2ncnc3c2CNC3)cc1 82385159 1169109384 /nfs/dbraw/zinc/10/93/84/1169109384.db2.gz CXEFXXAPDBRCBG-UHFFFAOYSA-N 0 1 197.241 1.747 10 0 ADAEMN Cc1nnc(C2(N)CCCC2)o1 82852897 1169114210 /nfs/dbraw/zinc/11/42/10/1169114210.db2.gz HJWKTNCOPHTMCC-UHFFFAOYSA-N 0 1 167.212 1.106 10 0 ADAEMN Nc1ccnn1-c1ccc2n[nH]cc2c1 84363090 1169115579 /nfs/dbraw/zinc/11/55/79/1169115579.db2.gz IJAYKVVKZONVBV-UHFFFAOYSA-N 0 1 199.217 1.331 10 0 ADAEMN Cc1nnc(C[C@@H](N)c2ccco2)o1 84453656 1169118646 /nfs/dbraw/zinc/11/86/46/1169118646.db2.gz HEWWVMILXZFWCJ-SSDOTTSWSA-N 0 1 193.206 1.214 10 0 ADAEMN Cc1cccc2nc(CCCO)[nH]c12 86085554 1169122903 /nfs/dbraw/zinc/12/29/03/1169122903.db2.gz LVJCCZZIJGMRAR-UHFFFAOYSA-N 0 1 190.246 1.796 10 0 ADAEMN C1CCC(CSCc2nn[nH]n2)C1 95123004 1169127706 /nfs/dbraw/zinc/12/77/06/1169127706.db2.gz KRFOUMWDAVTWMI-UHFFFAOYSA-N 0 1 198.295 1.623 10 0 ADAEMN CC(C)Cc1ccoc1C(=N)N 757122809 673914784 /nfs/dbraw/zinc/91/47/84/673914784.db2.gz WISAHHJDEVGMFJ-UHFFFAOYSA-N 0 1 166.224 1.762 10 0 ADAEMN Cc1nonc1CN[C@@H]1C[C@H](C)[C@H]1C 307204144 673918180 /nfs/dbraw/zinc/91/81/80/673918180.db2.gz HVPZBLLQQOSAPM-LKEWCRSYSA-N 0 1 195.266 1.512 10 0 ADAEMN Cc1nonc1CN[C@@H]1C[C@@H](C)[C@@H]1C 307204143 673918229 /nfs/dbraw/zinc/91/82/29/673918229.db2.gz HVPZBLLQQOSAPM-BKPPORCPSA-N 0 1 195.266 1.512 10 0 ADAEMN Cc1nonc1CN[C@@H]1C[C@H](C)[C@@H]1C 307204142 673918239 /nfs/dbraw/zinc/91/82/39/673918239.db2.gz HVPZBLLQQOSAPM-ACLDMZEESA-N 0 1 195.266 1.512 10 0 ADAEMN Cc1nonc1CN[C@@H]1C[C@@H](C)[C@H]1C 307204145 673918288 /nfs/dbraw/zinc/91/82/88/673918288.db2.gz HVPZBLLQQOSAPM-ZXFLCMHBSA-N 0 1 195.266 1.512 10 0 ADAEMN C[C@H](N[C@H]1CC1(C)C)c1ncc[nH]1 307423621 673919865 /nfs/dbraw/zinc/91/98/65/673919865.db2.gz NNDGXZOIJFHPFH-YUMQZZPRSA-N 0 1 179.267 1.859 10 0 ADAEMN Cc1cc(=O)n(C2CCOCC2)[nH]1 106844161 1169141384 /nfs/dbraw/zinc/14/13/84/1169141384.db2.gz PNCSZECILCFCSH-UHFFFAOYSA-N 0 1 182.223 1.249 10 0 ADAEMN CC[C@@H]1C[C@H]1Cn1ccnc1CN 723078853 673923586 /nfs/dbraw/zinc/92/35/86/673923586.db2.gz NUPVABDJTCSBDE-BDAKNGLRSA-N 0 1 179.267 1.388 10 0 ADAEMN c1cncc(-c2ncnc3c2CNC3)c1 107238502 1169144025 /nfs/dbraw/zinc/14/40/25/1169144025.db2.gz RBVFYBDEANNMAR-UHFFFAOYSA-N 0 1 198.229 1.142 10 0 ADAEMN CN(C)Cc1cnc(Cl)nc1 107458174 1169144074 /nfs/dbraw/zinc/14/40/74/1169144074.db2.gz MNXBCYOWHGWWCW-UHFFFAOYSA-N 0 1 171.631 1.192 10 0 ADAEMN c1cc(-c2ncnc3c2CNC3)ccn1 107238490 1169144335 /nfs/dbraw/zinc/14/43/35/1169144335.db2.gz LRMMOKAMYCVNRI-UHFFFAOYSA-N 0 1 198.229 1.142 10 0 ADAEMN Cc1cnc(CN)n1C1CCCC1 107339741 1169144514 /nfs/dbraw/zinc/14/45/14/1169144514.db2.gz KSGDBDJOHWDMCZ-UHFFFAOYSA-N 0 1 179.267 1.765 10 0 ADAEMN COc1cccc2c1nc(CN)n2C 108301356 1169144613 /nfs/dbraw/zinc/14/46/13/1169144613.db2.gz YMEAPZOQZMIUOC-UHFFFAOYSA-N 0 1 191.234 1.041 10 0 ADAEMN Cc1ccc(N2CCN(C)CC2)nc1 113219133 1169147227 /nfs/dbraw/zinc/14/72/27/1169147227.db2.gz CATAGJZATFZGMJ-UHFFFAOYSA-N 0 1 191.278 1.142 10 0 ADAEMN CC(C)OC1CN(C(C)C)C1 113208922 1169147998 /nfs/dbraw/zinc/14/79/98/1169147998.db2.gz OGWCRHFTNSJDSP-UHFFFAOYSA-N 0 1 157.257 1.504 10 0 ADAEMN CN(C)Cc1ccc(O)cc1F 113566671 1169150565 /nfs/dbraw/zinc/15/05/65/1169150565.db2.gz XHXAOAOOXKCCFL-UHFFFAOYSA-N 0 1 169.199 1.593 10 0 ADAEMN CC1CN(CCC(F)(F)F)C1 116409693 1169156771 /nfs/dbraw/zinc/15/67/71/1169156771.db2.gz NKJFAAQRGMNXRB-UHFFFAOYSA-N 0 1 167.174 1.891 10 0 ADAEMN Cc1cn(C)nc1CN1CCCC1 723985118 673933550 /nfs/dbraw/zinc/93/35/50/673933550.db2.gz IWMQOKUKCSISQJ-UHFFFAOYSA-N 0 1 179.267 1.324 10 0 ADAEMN Cc1cn(C)nc1CN1CCCCC1 723986058 673933764 /nfs/dbraw/zinc/93/37/64/673933764.db2.gz QKONGZTTZKVWMJ-UHFFFAOYSA-N 0 1 193.294 1.714 10 0 ADAEMN C[C@H](N[C@H]1CC1(C)C)c1cn(C)nn1 715879602 673934236 /nfs/dbraw/zinc/93/42/36/673934236.db2.gz UEUPWYRURVYZCZ-CBAPKCEASA-N 0 1 194.282 1.264 10 0 ADAEMN c1nonc1CN1CC[C@@H]2CCC[C@@H]21 934338619 673936004 /nfs/dbraw/zinc/93/60/04/673936004.db2.gz BCWHIGJCMNKBJN-WPRPVWTQSA-N 0 1 193.250 1.444 10 0 ADAEMN O[C@@H]1CCN(CC2=CCCC2)C[C@H]1F 725608303 673941480 /nfs/dbraw/zinc/94/14/80/673941480.db2.gz IHMIYJAPCCUYLD-GHMZBOCLSA-N 0 1 199.269 1.501 10 0 ADAEMN O[C@H]1CCN(CC2=CCCC2)C[C@@H]1F 725608305 673941511 /nfs/dbraw/zinc/94/15/11/673941511.db2.gz IHMIYJAPCCUYLD-QWRGUYRKSA-N 0 1 199.269 1.501 10 0 ADAEMN O[C@H]1CCN(CC2=CCCC2)C[C@H]1F 725608304 673941678 /nfs/dbraw/zinc/94/16/78/673941678.db2.gz IHMIYJAPCCUYLD-MNOVXSKESA-N 0 1 199.269 1.501 10 0 ADAEMN O[C@@H]1CCN(CC2=CCCC2)C[C@@H]1F 725608306 673941715 /nfs/dbraw/zinc/94/17/15/673941715.db2.gz IHMIYJAPCCUYLD-WDEREUQCSA-N 0 1 199.269 1.501 10 0 ADAEMN CC(=O)CN1C[C@@H]2CSC[C@]2(C)C1 725610304 673941753 /nfs/dbraw/zinc/94/17/53/673941753.db2.gz ITMZUCFDPMPPKI-ZJUUUORDSA-N 0 1 199.319 1.260 10 0 ADAEMN CC[C@@H](C[C@H](C)O)NCc1ccon1 720406217 673943078 /nfs/dbraw/zinc/94/30/78/673943078.db2.gz SOEFGMBBWOCWCM-IUCAKERBSA-N 0 1 198.266 1.314 10 0 ADAEMN COCC1CC(NCc2ccon2)C1 720406208 673943383 /nfs/dbraw/zinc/94/33/83/673943383.db2.gz SLUWYHOSYUXWSZ-UHFFFAOYSA-N 0 1 196.250 1.189 10 0 ADAEMN CCn1cc(-c2cc(N)ccn2)cn1 122737690 1169163830 /nfs/dbraw/zinc/16/38/30/1169163830.db2.gz GMRYLLAXZIGQBG-UHFFFAOYSA-N 0 1 188.234 1.547 10 0 ADAEMN CCn1nccc1-c1cc(N)ccn1 122739831 1169164905 /nfs/dbraw/zinc/16/49/05/1169164905.db2.gz DFPMSEFVHMQYTC-UHFFFAOYSA-N 0 1 188.234 1.547 10 0 ADAEMN FCCCNCc1cscn1 124401232 1169167281 /nfs/dbraw/zinc/16/72/81/1169167281.db2.gz NZCLQVYWCMTKRP-UHFFFAOYSA-N 0 1 174.244 1.592 10 0 ADAEMN CC[C@H](N)c1cc(C)no1 82410295 673948117 /nfs/dbraw/zinc/94/81/17/673948117.db2.gz FQASPPODVIDPRT-LURJTMIESA-N 0 1 140.186 1.393 10 0 ADAEMN CC[C@@H](N)c1cc(C)no1 82410296 673948467 /nfs/dbraw/zinc/94/84/67/673948467.db2.gz FQASPPODVIDPRT-ZCFIWIBFSA-N 0 1 140.186 1.393 10 0 ADAEMN CCc1cc(=O)n(-c2nccs2)[nH]1 124968948 1169168976 /nfs/dbraw/zinc/16/89/76/1169168976.db2.gz HGPHFLCEDPZTMY-UHFFFAOYSA-N 0 1 195.247 1.597 10 0 ADAEMN CC(C)[C@@H]1CCN1Cc1cncnc1 335952729 673949365 /nfs/dbraw/zinc/94/93/65/673949365.db2.gz HGZGODZXQKHPHC-NSHDSACASA-N 0 1 191.278 1.707 10 0 ADAEMN Cc1cc(=O)n(-c2nccs2)[nH]1 124967805 1169171297 /nfs/dbraw/zinc/17/12/97/1169171297.db2.gz WSHPWOGVZDZFAH-UHFFFAOYSA-N 0 1 181.220 1.343 10 0 ADAEMN Cn1ccnc1CNC1(C)CC1 124445618 1169171484 /nfs/dbraw/zinc/17/14/84/1169171484.db2.gz WJPSRCZYAPOMOB-UHFFFAOYSA-N 0 1 165.240 1.062 10 0 ADAEMN O=C([O-])c1ccc(C[NH+]2CC=CC2)o1 126882541 1169174195 /nfs/dbraw/zinc/17/41/95/1169174195.db2.gz JVNPCDRNTROVME-UHFFFAOYSA-N 0 1 193.202 1.350 10 0 ADAEMN Cn1[nH]c(C2CCCC2)cc1=O 127231626 1169176649 /nfs/dbraw/zinc/17/66/49/1169176649.db2.gz QJEZIWBZXDAIKG-UHFFFAOYSA-N 0 1 166.224 1.783 10 0 ADAEMN C[C@@H](NCc1ccon1)C(C)(C)CO 925212514 673959305 /nfs/dbraw/zinc/95/93/05/673959305.db2.gz RUXDTFZFYYZLHC-MRVPVSSYSA-N 0 1 198.266 1.171 10 0 ADAEMN C[C@H](NCc1ccon1)C(C)(C)CO 925212515 673959614 /nfs/dbraw/zinc/95/96/14/673959614.db2.gz RUXDTFZFYYZLHC-QMMMGPOBSA-N 0 1 198.266 1.171 10 0 ADAEMN Fc1cncc(CN2C[C@H]3C[C@H]3C2)c1 862442801 673960804 /nfs/dbraw/zinc/96/08/04/673960804.db2.gz IDARUKQGKZTVJG-AOOOYVTPSA-N 0 1 192.237 1.672 10 0 ADAEMN CC[C@H](C(=O)[O-])c1c[nH+]c2n1CCC2 82894071 673961601 /nfs/dbraw/zinc/96/16/01/673961601.db2.gz ZGVYYQQUTHNKTG-ZETCQYMHSA-N 0 1 194.234 1.408 10 0 ADAEMN CCC(CC)CN1CC[C@H]1C(=O)OC 130589108 1169182941 /nfs/dbraw/zinc/18/29/41/1169182941.db2.gz PCPSBJDQUIJTAY-JTQLQIEISA-N 0 1 199.294 1.670 10 0 ADAEMN NCc1ncccc1NC1CCCC1 129610866 1169182980 /nfs/dbraw/zinc/18/29/80/1169182980.db2.gz VKVYSORINWSNIM-UHFFFAOYSA-N 0 1 191.278 1.895 10 0 ADAEMN c1cc(-c2ncc3c(n2)CNC3)co1 132293433 1169185045 /nfs/dbraw/zinc/18/50/45/1169185045.db2.gz JMUAPTHCRVUDMJ-UHFFFAOYSA-N 0 1 187.202 1.340 10 0 ADAEMN CC(C)OC(=O)N[C@H](C)c1nnc[nH]1 227839681 673970162 /nfs/dbraw/zinc/97/01/62/673970162.db2.gz JFTMPFAUNPIMCJ-ZCFIWIBFSA-N 0 1 198.226 1.000 10 0 ADAEMN CC(C)OC(=O)N[C@@H](C)c1nnc[nH]1 227839674 673970258 /nfs/dbraw/zinc/97/02/58/673970258.db2.gz JFTMPFAUNPIMCJ-LURJTMIESA-N 0 1 198.226 1.000 10 0 ADAEMN COC[C@H](C)CN[C@H](C)C(F)F 228511529 673970408 /nfs/dbraw/zinc/97/04/08/673970408.db2.gz SUJZBRBDSJXRCJ-RNFRBKRXSA-N 0 1 181.226 1.512 10 0 ADAEMN COC[C@@H](C)CN[C@H](C)C(F)F 228511524 673970457 /nfs/dbraw/zinc/97/04/57/673970457.db2.gz SUJZBRBDSJXRCJ-NKWVEPMBSA-N 0 1 181.226 1.512 10 0 ADAEMN C[C@H](NC[C@H]1CCCOC1)C(F)F 228508008 673970462 /nfs/dbraw/zinc/97/04/62/673970462.db2.gz QDECCHVWPXJYEK-JGVFFNPUSA-N 0 1 193.237 1.656 10 0 ADAEMN C[C@@H](NC[C@@H]1CCCOC1)C(F)F 228507988 673970466 /nfs/dbraw/zinc/97/04/66/673970466.db2.gz QDECCHVWPXJYEK-SFYZADRCSA-N 0 1 193.237 1.656 10 0 ADAEMN COC[C@@H](C)CN[C@@H](C)C(F)F 228511509 673970565 /nfs/dbraw/zinc/97/05/65/673970565.db2.gz SUJZBRBDSJXRCJ-BQBZGAKWSA-N 0 1 181.226 1.512 10 0 ADAEMN COC[C@H](C)CN[C@@H](C)C(F)F 228511517 673970739 /nfs/dbraw/zinc/97/07/39/673970739.db2.gz SUJZBRBDSJXRCJ-RQJHMYQMSA-N 0 1 181.226 1.512 10 0 ADAEMN C[C@H](NCc1cnc[nH]1)C(F)F 228515624 673970752 /nfs/dbraw/zinc/97/07/52/673970752.db2.gz SRKVAYMTJCEDGF-YFKPBYRVSA-N 0 1 175.182 1.153 10 0 ADAEMN C[C@@H](NC[C@H]1CCCOC1)C(F)F 228508000 673970758 /nfs/dbraw/zinc/97/07/58/673970758.db2.gz QDECCHVWPXJYEK-HTQZYQBOSA-N 0 1 193.237 1.656 10 0 ADAEMN CCN1CCCC(=O)CC1 137377948 1169194627 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/nfs/dbraw/zinc/17/51/92/1170175192.db2.gz HXRVVOAONMTTLT-SOFGYWHQSA-N 0 1 193.250 1.382 10 0 ADAEMN C/C=C\C(=O)NCc1cnc(CC)[nH]1 1303975042 1170177921 /nfs/dbraw/zinc/17/79/21/1170177921.db2.gz RTTSXASRIGXWQV-HYXAFXHYSA-N 0 1 193.250 1.164 10 0 ADAEMN CC(=O)Nc1ccc2cncn2c1 1304165544 1170178155 /nfs/dbraw/zinc/17/81/55/1170178155.db2.gz HYBYLOFFYVNBRU-UHFFFAOYSA-N 0 1 175.191 1.293 10 0 ADAEMN C/C=C/C(=O)NCc1cnc(CC)[nH]1 1303975029 1170178953 /nfs/dbraw/zinc/17/89/53/1170178953.db2.gz RTTSXASRIGXWQV-HWKANZROSA-N 0 1 193.250 1.164 10 0 ADAEMN C[C@@H]1CN(CC2=NOCC2)[C@@H]1C 1307798474 1170185853 /nfs/dbraw/zinc/18/58/53/1170185853.db2.gz GSFQREUNYQZLCY-HTQZYQBOSA-N 0 1 168.240 1.103 10 0 ADAEMN C[C@H]1[C@H](C)CN1CC1=NOCC1 1307798476 1170186162 /nfs/dbraw/zinc/18/61/62/1170186162.db2.gz GSFQREUNYQZLCY-SFYZADRCSA-N 0 1 168.240 1.103 10 0 ADAEMN C[C@H]1CN(CC2=NOCC2)[C@H]1C 1307798477 1170186291 /nfs/dbraw/zinc/18/62/91/1170186291.db2.gz GSFQREUNYQZLCY-YUMQZZPRSA-N 0 1 168.240 1.103 10 0 ADAEMN C[C@H]1CN(CC2=NOCC2)[C@@H]1C 1307798475 1170186301 /nfs/dbraw/zinc/18/63/01/1170186301.db2.gz GSFQREUNYQZLCY-JGVFFNPUSA-N 0 1 168.240 1.103 10 0 ADAEMN CCCn1cncc1CN(C)C1CC1 1308571624 1170188817 /nfs/dbraw/zinc/18/88/17/1170188817.db2.gz WMOGGUSMRJSTBM-UHFFFAOYSA-N 0 1 193.294 1.887 10 0 ADAEMN CCCC(=O)Nc1n[nH]c(C(C)C)n1 1318190813 1170195412 /nfs/dbraw/zinc/19/54/12/1170195412.db2.gz KSOKOSPPQGXGKZ-UHFFFAOYSA-N 0 1 196.254 1.667 10 0 ADAEMN CCCC(=O)Nc1nc(C(C)C)n[nH]1 1318190813 1170195414 /nfs/dbraw/zinc/19/54/14/1170195414.db2.gz KSOKOSPPQGXGKZ-UHFFFAOYSA-N 0 1 196.254 1.667 10 0 ADAEMN CN(CC1CC1)CN1C(=O)CC1(C)C 1319076019 1170199040 /nfs/dbraw/zinc/19/90/40/1170199040.db2.gz AZSVNYDYERMTJO-UHFFFAOYSA-N 0 1 196.294 1.297 10 0 ADAEMN Cc1ncc(CN2CCC2(C)C)cn1 1319702026 1170202544 /nfs/dbraw/zinc/20/25/44/1170202544.db2.gz LPOZTYBXIKOVRI-UHFFFAOYSA-N 0 1 191.278 1.769 10 0 ADAEMN O=C(C[C@H]1C=CCC1)Nc1c[nH]nn1 1324491572 1170222964 /nfs/dbraw/zinc/22/29/64/1170222964.db2.gz MKCFTBWURZHYPK-ZETCQYMHSA-N 0 1 192.222 1.100 10 0 ADAEMN CCN(C)Cc1cccnc1N(C)C 1324346434 1170223077 /nfs/dbraw/zinc/22/30/77/1170223077.db2.gz SIRVXCMYFYFBKJ-UHFFFAOYSA-N 0 1 193.294 1.599 10 0 ADAEMN O=C(C[C@@H]1C=CCC1)Nc1c[nH]nn1 1324491570 1170223242 /nfs/dbraw/zinc/22/32/42/1170223242.db2.gz MKCFTBWURZHYPK-SSDOTTSWSA-N 0 1 192.222 1.100 10 0 ADAEMN Cc1cc(CN2CC[C@H]2C2CC2)[nH]n1 1324663861 1170226159 /nfs/dbraw/zinc/22/61/59/1170226159.db2.gz VIVJHHPIRVVPIJ-NSHDSACASA-N 0 1 191.278 1.702 10 0 ADAEMN Cc1cc(CN2CC[C@@H]2C2CC2)[nH]n1 1324663860 1170227105 /nfs/dbraw/zinc/22/71/05/1170227105.db2.gz VIVJHHPIRVVPIJ-LLVKDONJSA-N 0 1 191.278 1.702 10 0 ADAEMN O=C1CC2(CC2)CN1CN1CCCC1 1325537171 1170233201 /nfs/dbraw/zinc/23/32/01/1170233201.db2.gz AEOXAWIVFCBZHX-UHFFFAOYSA-N 0 1 194.278 1.052 10 0 ADAEMN O[C@@H]1CN(Cc2ccoc2)CC12CC2 1325902221 1170234710 /nfs/dbraw/zinc/23/47/10/1170234710.db2.gz FAIYIRFEHNRRNV-SNVBAGLBSA-N 0 1 193.246 1.236 10 0 ADAEMN O[C@H]1CN(Cc2ccoc2)CC12CC2 1325902219 1170235505 /nfs/dbraw/zinc/23/55/05/1170235505.db2.gz FAIYIRFEHNRRNV-JTQLQIEISA-N 0 1 193.246 1.236 10 0 ADAEMN Cc1cc(CN2C[C@@H](C)[C@H]2C)[nH]n1 1326341413 1170240614 /nfs/dbraw/zinc/24/06/14/1170240614.db2.gz BUZRMCKOKUKKNI-VXNVDRBHSA-N 0 1 179.267 1.558 10 0 ADAEMN Cc1cc(CN2C[C@@H](C)[C@H]2C)n[nH]1 1326341413 1170240620 /nfs/dbraw/zinc/24/06/20/1170240620.db2.gz BUZRMCKOKUKKNI-VXNVDRBHSA-N 0 1 179.267 1.558 10 0 ADAEMN Cc1cc(CN2C[C@H](C)[C@H]2C)[nH]n1 1326341411 1170240666 /nfs/dbraw/zinc/24/06/66/1170240666.db2.gz BUZRMCKOKUKKNI-IONNQARKSA-N 0 1 179.267 1.558 10 0 ADAEMN Cc1cc(CN2C[C@H](C)[C@H]2C)n[nH]1 1326341411 1170240672 /nfs/dbraw/zinc/24/06/72/1170240672.db2.gz BUZRMCKOKUKKNI-IONNQARKSA-N 0 1 179.267 1.558 10 0 ADAEMN Cc1cc(CN2C[C@H](C)[C@@H]2C)[nH]n1 1326341409 1170240777 /nfs/dbraw/zinc/24/07/77/1170240777.db2.gz BUZRMCKOKUKKNI-CBAPKCEASA-N 0 1 179.267 1.558 10 0 ADAEMN Cc1cc(CN2C[C@H](C)[C@@H]2C)n[nH]1 1326341409 1170240786 /nfs/dbraw/zinc/24/07/86/1170240786.db2.gz BUZRMCKOKUKKNI-CBAPKCEASA-N 0 1 179.267 1.558 10 0 ADAEMN Cc1cc(CN2C[C@@H](C)[C@@H]2C)[nH]n1 1326341300 1170240888 /nfs/dbraw/zinc/24/08/88/1170240888.db2.gz BUZRMCKOKUKKNI-APPZFPTMSA-N 0 1 179.267 1.558 10 0 ADAEMN Cc1cc(CN2C[C@@H](C)[C@@H]2C)n[nH]1 1326341300 1170240892 /nfs/dbraw/zinc/24/08/92/1170240892.db2.gz BUZRMCKOKUKKNI-APPZFPTMSA-N 0 1 179.267 1.558 10 0 ADAEMN Cc1ccnc(N)c1CN(C)C1CC1 1331531367 1170291863 /nfs/dbraw/zinc/29/18/63/1170291863.db2.gz QBSZZNCXMHXMJE-UHFFFAOYSA-N 0 1 191.278 1.566 10 0 ADAEMN Cc1n[nH]c(C[N@H+](C)C2CC2)c1C 1331551526 1170293389 /nfs/dbraw/zinc/29/33/89/1170293389.db2.gz BRSDHNKXPFPXTR-UHFFFAOYSA-N 0 1 179.267 1.621 10 0 ADAEMN Cc1n[nH]c(CN(C)C2CC2)c1C 1331551526 1170293393 /nfs/dbraw/zinc/29/33/93/1170293393.db2.gz BRSDHNKXPFPXTR-UHFFFAOYSA-N 0 1 179.267 1.621 10 0 ADAEMN Cc1nc(C)n(C[C@@H](O)C2CC2)c1C 1332523717 1170309678 /nfs/dbraw/zinc/30/96/78/1170309678.db2.gz RAOXGDPAFFJAPL-LLVKDONJSA-N 0 1 194.278 1.579 10 0 ADAEMN Cc1nc(C)n(C[C@H](O)C2CC2)c1C 1332523718 1170309811 /nfs/dbraw/zinc/30/98/11/1170309811.db2.gz RAOXGDPAFFJAPL-NSHDSACASA-N 0 1 194.278 1.579 10 0 ADAEMN Cc1nonc1[C@H](C)N[C@H]1CC[C@H]1C 1332894235 1170312860 /nfs/dbraw/zinc/31/28/60/1170312860.db2.gz PHQBFVVNXPPDGV-FJXKBIBVSA-N 0 1 195.266 1.827 10 0 ADAEMN Cc1nonc1[C@H](C)N[C@@H]1CC[C@H]1C 1332894234 1170313799 /nfs/dbraw/zinc/31/37/99/1170313799.db2.gz PHQBFVVNXPPDGV-BKPPORCPSA-N 0 1 195.266 1.827 10 0 ADAEMN Cc1nonc1[C@H](C)N[C@@H]1CC[C@@H]1C 1332894233 1170314118 /nfs/dbraw/zinc/31/41/18/1170314118.db2.gz PHQBFVVNXPPDGV-ACLDMZEESA-N 0 1 195.266 1.827 10 0 ADAEMN Cc1nonc1[C@H](C)N[C@H]1CC[C@@H]1C 1332894236 1170314276 /nfs/dbraw/zinc/31/42/76/1170314276.db2.gz PHQBFVVNXPPDGV-ZKWXMUAHSA-N 0 1 195.266 1.827 10 0 ADAEMN CCN[C@@H](C)c1nn(CC)nc1C 1333555779 1170324340 /nfs/dbraw/zinc/32/43/40/1170324340.db2.gz QVUXGCUEHSXKGG-ZETCQYMHSA-N 0 1 182.271 1.277 10 0 ADAEMN CCN[C@H](C)c1nn(CC)nc1C 1333555777 1170325647 /nfs/dbraw/zinc/32/56/47/1170325647.db2.gz QVUXGCUEHSXKGG-SSDOTTSWSA-N 0 1 182.271 1.277 10 0 ADAEMN Cc1nnc(CCN2CC=CCC2)o1 1333910709 1170333711 /nfs/dbraw/zinc/33/37/11/1170333711.db2.gz AAKRZZPRTIIRDE-UHFFFAOYSA-N 0 1 193.250 1.182 10 0 ADAEMN CC1(C)CC(COCc2nn[nH]n2)C1 1334041390 1170336053 /nfs/dbraw/zinc/33/60/53/1170336053.db2.gz VHTOHBMJGIIXCM-UHFFFAOYSA-N 0 1 196.254 1.153 10 0 ADAEMN Cc1cc(=O)n(Cc2ccccn2)[nH]1 1337553974 1170394696 /nfs/dbraw/zinc/39/46/96/1170394696.db2.gz CDMJTVQVOMTDEG-UHFFFAOYSA-N 0 1 189.218 1.190 10 0 ADAEMN NCc1nccnc1NC/C=C\Cl 1337993133 1170403860 /nfs/dbraw/zinc/40/38/60/1170403860.db2.gz CUVXUGBQFRKYFP-UPHRSURJSA-N 0 1 198.657 1.100 10 0 ADAEMN NCc1nccnc1NC/C=C/Cl 1337993132 1170404705 /nfs/dbraw/zinc/40/47/05/1170404705.db2.gz CUVXUGBQFRKYFP-OWOJBTEDSA-N 0 1 198.657 1.100 10 0 ADAEMN CC=CC(=O)Nc1nc(C(C)C)n[nH]1 1339038054 1170415752 /nfs/dbraw/zinc/41/57/52/1170415752.db2.gz SCDBBMQLDZBTTC-SNAWJCMRSA-N 0 1 194.238 1.443 10 0 ADAEMN C/C=C/C(=O)Nc1n[nH]c(C(C)C)n1 1339038054 1170415755 /nfs/dbraw/zinc/41/57/55/1170415755.db2.gz SCDBBMQLDZBTTC-SNAWJCMRSA-N 0 1 194.238 1.443 10 0 ADAEMN CC=CC(=O)Nc1nc(C(C)C)n[nH]1 1339038053 1170416758 /nfs/dbraw/zinc/41/67/58/1170416758.db2.gz SCDBBMQLDZBTTC-PLNGDYQASA-N 0 1 194.238 1.443 10 0 ADAEMN C/C=C\C(=O)Nc1n[nH]c(C(C)C)n1 1339038053 1170416761 /nfs/dbraw/zinc/41/67/61/1170416761.db2.gz SCDBBMQLDZBTTC-PLNGDYQASA-N 0 1 194.238 1.443 10 0 ADAEMN CN(C)CC(=O)N1CC[C@@H]1C(C)(C)C 1339400751 1170418317 /nfs/dbraw/zinc/41/83/17/1170418317.db2.gz FYJMMPKZZHEVQA-SECBINFHSA-N 0 1 198.310 1.195 10 0 ADAEMN CN(C)CC(=O)N1CC[C@H]1C(C)(C)C 1339400752 1170418489 /nfs/dbraw/zinc/41/84/89/1170418489.db2.gz FYJMMPKZZHEVQA-VIFPVBQESA-N 0 1 198.310 1.195 10 0 ADAEMN CC1CC(Nc2nccnc2CN)C1 1339609293 1170421075 /nfs/dbraw/zinc/42/10/75/1170421075.db2.gz HYRBIFOLRJZKNR-UHFFFAOYSA-N 0 1 192.266 1.146 10 0 ADAEMN CC12CC(C[N@H+]1CC1(C(=O)[O-])CC1)C2 1347178190 1170488081 /nfs/dbraw/zinc/48/80/81/1170488081.db2.gz LIDYGDOTZBPWPD-UHFFFAOYSA-N 0 1 195.262 1.336 10 0 ADAEMN Cc1cc(CN2CC(C3CC3)C2)[nH]n1 1347442910 1170494000 /nfs/dbraw/zinc/49/40/00/1170494000.db2.gz URDHLUFWNSQZPG-UHFFFAOYSA-N 0 1 191.278 1.560 10 0 ADAEMN Cc1cc(CN2CC(C3CC3)C2)n[nH]1 1347442910 1170494003 /nfs/dbraw/zinc/49/40/03/1170494003.db2.gz URDHLUFWNSQZPG-UHFFFAOYSA-N 0 1 191.278 1.560 10 0 ADAEMN Cc1[nH]nc(CNC(=O)CCF)c1C 1348120924 1170499211 /nfs/dbraw/zinc/49/92/11/1170499211.db2.gz VQGRJMMDLHJEOY-UHFFFAOYSA-N 0 1 199.229 1.002 10 0 ADAEMN COC1(CNCc2ccno2)CCC1 1349621727 1170511534 /nfs/dbraw/zinc/51/15/34/1170511534.db2.gz WDUKGVPKGBYMPP-UHFFFAOYSA-N 0 1 196.250 1.333 10 0 ADAEMN C[C@H](N[C@@H]1CC[C@@H]1C)c1cnn(C)n1 1350976838 1170524428 /nfs/dbraw/zinc/52/44/28/1170524428.db2.gz WCVCGBGLZVUJFP-XHNCKOQMSA-N 0 1 194.282 1.264 10 0 ADAEMN C[C@H](N[C@H]1CC[C@@H]1C)c1cnn(C)n1 1350976833 1170524453 /nfs/dbraw/zinc/52/44/53/1170524453.db2.gz WCVCGBGLZVUJFP-CIUDSAMLSA-N 0 1 194.282 1.264 10 0 ADAEMN C[C@H](N[C@@H]1CC[C@H]1C)c1cnn(C)n1 1350976835 1170524462 /nfs/dbraw/zinc/52/44/62/1170524462.db2.gz WCVCGBGLZVUJFP-HRDYMLBCSA-N 0 1 194.282 1.264 10 0 ADAEMN C[C@H](N[C@H]1CC[C@H]1C)c1cnn(C)n1 1350976836 1170524677 /nfs/dbraw/zinc/52/46/77/1170524677.db2.gz WCVCGBGLZVUJFP-VGMNWLOBSA-N 0 1 194.282 1.264 10 0 ADAEMN C[C@@H](CF)NC[C@H](O)c1ccccn1 1353246422 1170536883 /nfs/dbraw/zinc/53/68/83/1170536883.db2.gz KAGWYKHKAQFDDL-WPRPVWTQSA-N 0 1 198.241 1.063 10 0 ADAEMN C[C@@H](CF)NC[C@@H](O)c1ccccn1 1353246420 1170537923 /nfs/dbraw/zinc/53/79/23/1170537923.db2.gz KAGWYKHKAQFDDL-WCBMZHEXSA-N 0 1 198.241 1.063 10 0 ADAEMN NCc1nccnc1NCC1CCC1 1354069581 1170545105 /nfs/dbraw/zinc/54/51/05/1170545105.db2.gz GVHYFWZQJJYNPR-UHFFFAOYSA-N 0 1 192.266 1.147 10 0 ADAEMN CCN[C@H]1CCCc2oc(C)nc21 1354206251 1170546863 /nfs/dbraw/zinc/54/68/63/1170546863.db2.gz WYFSJYRFDXITKP-QMMMGPOBSA-N 0 1 180.251 1.970 10 0 ADAEMN CCN[C@@H]1CCCc2oc(C)nc21 1354206249 1170547629 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IUUQPWDGKOLOSO-HTRCEHHLSA-N 0 1 181.239 1.124 10 0 ADAEMN C[C@H]1CCC[C@@H](C)[N@H+]1[C@@H](C)C(=O)[O-] 11799182 571719592 /nfs/dbraw/zinc/71/95/92/571719592.db2.gz LUEOAIWQEDEWHO-YIZRAAEISA-N 0 1 185.267 1.722 10 0 ADAEMN CC(C)CCOC(=O)c1cc(N)[nH]n1 70647392 571719727 /nfs/dbraw/zinc/71/97/27/571719727.db2.gz PASKEYXOPFFTGR-UHFFFAOYSA-N 0 1 197.238 1.195 10 0 ADAEMN CCO[C@@H](C)[C@H](N)c1nccn1CC 70648714 571724022 /nfs/dbraw/zinc/72/40/22/571724022.db2.gz JUGHICPAQCSOFR-IUCAKERBSA-N 0 1 197.282 1.328 10 0 ADAEMN CNCC(=O)c1c(C)cncc1Cl 214134870 571719938 /nfs/dbraw/zinc/71/99/38/571719938.db2.gz YNIYKBZVOBLIBX-UHFFFAOYSA-N 0 1 198.653 1.446 10 0 ADAEMN CCO[C@@H](C)[C@H](N)c1ccco1 70648635 571719976 /nfs/dbraw/zinc/71/99/76/571719976.db2.gz YVPSNUHMIDVWRN-CBAPKCEASA-N 0 1 169.224 1.704 10 0 ADAEMN CCO[C@H](C)[C@H](N)c1ccco1 70648636 571720484 /nfs/dbraw/zinc/72/04/84/571720484.db2.gz YVPSNUHMIDVWRN-APPZFPTMSA-N 0 1 169.224 1.704 10 0 ADAEMN NCOc1nc2ccccc2s1 116723054 571720577 /nfs/dbraw/zinc/72/05/77/571720577.db2.gz YAAWOTDGOLTSIG-UHFFFAOYSA-N 0 1 180.232 1.591 10 0 ADAEMN CCO[C@H](C)[C@@H](NC)c1nccn1C 70649066 571724029 /nfs/dbraw/zinc/72/40/29/571724029.db2.gz ZDZZVLAZXFECBS-RKDXNWHRSA-N 0 1 197.282 1.106 10 0 ADAEMN CCO[C@H](C)[C@@H](N)c1ccco1 70648638 571721019 /nfs/dbraw/zinc/72/10/19/571721019.db2.gz YVPSNUHMIDVWRN-VXNVDRBHSA-N 0 1 169.224 1.704 10 0 ADAEMN CNCC(=O)c1ncc(Cl)cc1C 214135079 571721028 /nfs/dbraw/zinc/72/10/28/571721028.db2.gz QURJVKLWLGTYAH-UHFFFAOYSA-N 0 1 198.653 1.446 10 0 ADAEMN Cc1cncc(Cl)c1C(=O)[C@@H](C)N 214134732 571721139 /nfs/dbraw/zinc/72/11/39/571721139.db2.gz ZZXNXKSTBPRFJL-ZCFIWIBFSA-N 0 1 198.653 1.573 10 0 ADAEMN CC[N@@H+](C(C)(C)C)C(C)(C)C(=O)[O-] 11798753 571721288 /nfs/dbraw/zinc/72/12/88/571721288.db2.gz LKJYALPYQVOSOP-UHFFFAOYSA-N 0 1 187.283 1.970 10 0 ADAEMN Cc1cn(C)c(N[C@@H]2C[C@H]2C)n1 235286357 571721558 /nfs/dbraw/zinc/72/15/58/571721558.db2.gz JDKOUDZXNHXMEW-HTRCEHHLSA-N 0 1 165.240 1.549 10 0 ADAEMN CCO[C@@H](C)[C@@H](N)c1ccco1 70648637 571721713 /nfs/dbraw/zinc/72/17/13/571721713.db2.gz YVPSNUHMIDVWRN-IONNQARKSA-N 0 1 169.224 1.704 10 0 ADAEMN CNCC(=O)C(F)(F)c1ccccc1 214147264 571721969 /nfs/dbraw/zinc/72/19/69/571721969.db2.gz ZAPUCGBSDSFRHS-UHFFFAOYSA-N 0 1 199.200 1.567 10 0 ADAEMN CNCC(=O)c1cccc(F)c1CF 214149821 571722195 /nfs/dbraw/zinc/72/21/95/571722195.db2.gz VZGIIEFWXIIEBZ-UHFFFAOYSA-N 0 1 199.200 1.697 10 0 ADAEMN CC(=O)c1ccc2ocnc2c1O 214141913 571722387 /nfs/dbraw/zinc/72/23/87/571722387.db2.gz POFCIQLHSYQWBE-UHFFFAOYSA-N 0 1 177.159 1.736 10 0 ADAEMN Cc1cn(C)c(NC[C@H]2C[C@H]2C)n1 235285091 571722783 /nfs/dbraw/zinc/72/27/83/571722783.db2.gz BFFGHCWGKWGZGB-VXNVDRBHSA-N 0 1 179.267 1.796 10 0 ADAEMN CCO[C@H](C)[C@H](NC)c1nccn1C 70649064 571722804 /nfs/dbraw/zinc/72/28/04/571722804.db2.gz ZDZZVLAZXFECBS-BDAKNGLRSA-N 0 1 197.282 1.106 10 0 ADAEMN CCO[C@@H](C)[C@H](NC)c1nccn1C 70649063 571723003 /nfs/dbraw/zinc/72/30/03/571723003.db2.gz ZDZZVLAZXFECBS-IUCAKERBSA-N 0 1 197.282 1.106 10 0 ADAEMN CCCCc1[nH]cc(CCC(=O)[O-])[nH+]1 205115144 571723025 /nfs/dbraw/zinc/72/30/25/571723025.db2.gz JFRVUPOWZMDQFF-UHFFFAOYSA-N 0 1 196.250 1.770 10 0 ADAEMN CCCCc1[nH]c(CCC(=O)[O-])c[nH+]1 205115144 571723030 /nfs/dbraw/zinc/72/30/30/571723030.db2.gz JFRVUPOWZMDQFF-UHFFFAOYSA-N 0 1 196.250 1.770 10 0 ADAEMN CCO[C@@H](C)[C@@H](NC)c1nccn1C 70649065 571723090 /nfs/dbraw/zinc/72/30/90/571723090.db2.gz ZDZZVLAZXFECBS-DTWKUNHWSA-N 0 1 197.282 1.106 10 0 ADAEMN CCO[C@H](C)[C@H](N)c1nccn1CC 70648712 571723107 /nfs/dbraw/zinc/72/31/07/571723107.db2.gz JUGHICPAQCSOFR-BDAKNGLRSA-N 0 1 197.282 1.328 10 0 ADAEMN CCO[C@H](C)[C@@H](NC)c1cnccn1 70648990 571723166 /nfs/dbraw/zinc/72/31/66/571723166.db2.gz HVYMHZSQWBQXMB-PSASIEDQSA-N 0 1 195.266 1.162 10 0 ADAEMN CC(=O)c1ccc2ncoc2c1O 214141989 571723481 /nfs/dbraw/zinc/72/34/81/571723481.db2.gz ZKJPUCLNGILMEN-UHFFFAOYSA-N 0 1 177.159 1.736 10 0 ADAEMN CCO[C@@H](C)[C@@H](N)c1nccn1CC 70648713 571723498 /nfs/dbraw/zinc/72/34/98/571723498.db2.gz JUGHICPAQCSOFR-DTWKUNHWSA-N 0 1 197.282 1.328 10 0 ADAEMN CCO[C@@H](C)[C@@H](NC)c1cnccn1 70648989 571723540 /nfs/dbraw/zinc/72/35/40/571723540.db2.gz HVYMHZSQWBQXMB-WCBMZHEXSA-N 0 1 195.266 1.162 10 0 ADAEMN CCO[C@@H](C)[C@H](NC)c1cnccn1 70648987 571723719 /nfs/dbraw/zinc/72/37/19/571723719.db2.gz HVYMHZSQWBQXMB-WPRPVWTQSA-N 0 1 195.266 1.162 10 0 ADAEMN CCO[C@H](C)[C@H](NC)c1cnccn1 70648988 571723972 /nfs/dbraw/zinc/72/39/72/571723972.db2.gz HVYMHZSQWBQXMB-SCZZXKLOSA-N 0 1 195.266 1.162 10 0 ADAEMN CCO[C@H](C)[C@@H](N)c1nccn1CC 70648711 571724113 /nfs/dbraw/zinc/72/41/13/571724113.db2.gz JUGHICPAQCSOFR-RKDXNWHRSA-N 0 1 197.282 1.328 10 0 ADAEMN CC[C@H](COC)N1CCC(=O)[C@H](C)C1 70658746 571724844 /nfs/dbraw/zinc/72/48/44/571724844.db2.gz PMUBYFYVLRRDEM-NXEZZACHSA-N 0 1 199.294 1.322 10 0 ADAEMN CC(=O)C(C(C)=O)C1CC1 23827452 571724329 /nfs/dbraw/zinc/72/43/29/571724329.db2.gz CQKOJZYFFFENGU-UHFFFAOYSA-N 0 1 140.182 1.191 10 0 ADAEMN CC[C@@H]1CCC[C@@H]([N@@H+](C)CC(=O)[O-])C1 70652076 571724693 /nfs/dbraw/zinc/72/46/93/571724693.db2.gz VAWAYYFQOHHIKQ-NXEZZACHSA-N 0 1 199.294 1.972 10 0 ADAEMN CCC[C@@H](COC)N1CCC(=O)CC1 70658755 571724881 /nfs/dbraw/zinc/72/48/81/571724881.db2.gz QAFUHCUKGDFCBT-JTQLQIEISA-N 0 1 199.294 1.466 10 0 ADAEMN CC[C@@H](COC)N1CCC(=O)[C@H](C)C1 70658745 571726126 /nfs/dbraw/zinc/72/61/26/571726126.db2.gz PMUBYFYVLRRDEM-ZJUUUORDSA-N 0 1 199.294 1.322 10 0 ADAEMN CC[C@H]1CCC[C@H]([N@@H+](C)CC(=O)[O-])C1 70652075 571725709 /nfs/dbraw/zinc/72/57/09/571725709.db2.gz VAWAYYFQOHHIKQ-UWVGGRQHSA-N 0 1 199.294 1.972 10 0 ADAEMN CC[C@H]1CCC[C@@H]([N@@H+](C)CC(=O)[O-])C1 70652077 571725921 /nfs/dbraw/zinc/72/59/21/571725921.db2.gz VAWAYYFQOHHIKQ-VHSXEESVSA-N 0 1 199.294 1.972 10 0 ADAEMN CC[N@@H+](C)CCCCCC(=O)[O-] 70652393 571726034 /nfs/dbraw/zinc/72/60/34/571726034.db2.gz NJGWFMUWOHQPNV-UHFFFAOYSA-N 0 1 173.256 1.583 10 0 ADAEMN CCC[C@H](COC)N1CCC(=O)CC1 70658756 571726069 /nfs/dbraw/zinc/72/60/69/571726069.db2.gz QAFUHCUKGDFCBT-SNVBAGLBSA-N 0 1 199.294 1.466 10 0 ADAEMN CC[C@@H]1CCC[C@H]([N@@H+](C)CC(=O)[O-])C1 70652074 571726264 /nfs/dbraw/zinc/72/62/64/571726264.db2.gz VAWAYYFQOHHIKQ-ZJUUUORDSA-N 0 1 199.294 1.972 10 0 ADAEMN [NH3+]CCc1nc2cccc([O-])c2o1 214177198 571726944 /nfs/dbraw/zinc/72/69/44/571726944.db2.gz BJTZQPNCTGKKLS-UHFFFAOYSA-N 0 1 178.191 1.035 10 0 ADAEMN [NH3+]CCc1ccc2ncoc2c1[O-] 214176953 571728363 /nfs/dbraw/zinc/72/83/63/571728363.db2.gz QJXWLTISXHLNMM-UHFFFAOYSA-N 0 1 178.191 1.035 10 0 ADAEMN [NH3+]CCc1nc2c([O-])cccc2o1 214177284 571728578 /nfs/dbraw/zinc/72/85/78/571728578.db2.gz PUUOJWLXRBTJFC-UHFFFAOYSA-N 0 1 178.191 1.035 10 0 ADAEMN O[C@@H]1CCC[C@H]1N1CCCSC1 687798676 571729353 /nfs/dbraw/zinc/72/93/53/571729353.db2.gz PJVCMURSJFQJQC-RKDXNWHRSA-N 0 1 187.308 1.296 10 0 ADAEMN CC(C)(C)[N@H+]1CC[C@H](CCC(=O)[O-])C1 214185151 571729570 /nfs/dbraw/zinc/72/95/70/571729570.db2.gz ZFMJPOVYPFAKPB-VIFPVBQESA-N 0 1 199.294 1.972 10 0 ADAEMN C[N@H+]1CC[C@@H]([C@@H](CC(=O)[O-])C2CC2)C1 214199041 571729543 /nfs/dbraw/zinc/72/95/43/571729543.db2.gz AUICDNVVTXCZOD-ZJUUUORDSA-N 0 1 197.278 1.439 10 0 ADAEMN C[N@H+]1CC[C@@H]1[C@@H](CCC(=O)[O-])C1CC1 214197951 571729612 /nfs/dbraw/zinc/72/96/12/571729612.db2.gz QSIFSFDBCIKEGA-VHSXEESVSA-N 0 1 197.278 1.582 10 0 ADAEMN O[C@@H]1CCC[C@@H]1N1CCCSC1 687798674 571729613 /nfs/dbraw/zinc/72/96/13/571729613.db2.gz PJVCMURSJFQJQC-DTWKUNHWSA-N 0 1 187.308 1.296 10 0 ADAEMN CN[C@@H](c1ncccn1)[C@H](C)COC 69905309 571732599 /nfs/dbraw/zinc/73/25/99/571732599.db2.gz OFWWXQUDEUGUTH-RKDXNWHRSA-N 0 1 195.266 1.020 10 0 ADAEMN C[N@H+]1CC[C@@H]1[C@H](C(=O)[O-])C1CCCC1 214197675 571729683 /nfs/dbraw/zinc/72/96/83/571729683.db2.gz CUDBQMRBBFUNQG-NXEZZACHSA-N 0 1 197.278 1.582 10 0 ADAEMN NC1(c2onc3c2CCCC3)CC1 214187492 571729801 /nfs/dbraw/zinc/72/98/01/571729801.db2.gz GRTDYMGKOXIQQK-UHFFFAOYSA-N 0 1 178.235 1.501 10 0 ADAEMN C[N@H+]1CCC[C@@H]([C@H](C(=O)[O-])C2CC2)C1 214196720 571729867 /nfs/dbraw/zinc/72/98/67/571729867.db2.gz HUFTUZKRHVNCFD-NXEZZACHSA-N 0 1 197.278 1.439 10 0 ADAEMN C[N@H+]1CC[C@@H]([C@H](C(=O)[O-])C2CCC2)C1 214197147 571729872 /nfs/dbraw/zinc/72/98/72/571729872.db2.gz OHXLUDPCDAMKMG-NXEZZACHSA-N 0 1 197.278 1.439 10 0 ADAEMN C[N@H+]1CC[C@@H]1[C@@H](CC(=O)[O-])C1CCC1 214197817 571729885 /nfs/dbraw/zinc/72/98/85/571729885.db2.gz XHJDPNJGGHFNQE-VHSXEESVSA-N 0 1 197.278 1.582 10 0 ADAEMN C[N@H+]1CC[C@H]1[C@@H](CC(=O)[O-])C1CCC1 214197874 571729984 /nfs/dbraw/zinc/72/99/84/571729984.db2.gz XHJDPNJGGHFNQE-UWVGGRQHSA-N 0 1 197.278 1.582 10 0 ADAEMN C[N@H+]1CCC[C@H]([C@H](C(=O)[O-])C2CC2)C1 214196656 571730009 /nfs/dbraw/zinc/73/00/09/571730009.db2.gz HUFTUZKRHVNCFD-VHSXEESVSA-N 0 1 197.278 1.439 10 0 ADAEMN CC[N@H+]1CCCC[C@@H](CCC(=O)[O-])C1 214185634 571730097 /nfs/dbraw/zinc/73/00/97/571730097.db2.gz GZAMPRZSPILREL-JTQLQIEISA-N 0 1 199.294 1.973 10 0 ADAEMN CCc1occ2c1CNC2 24408021 571730138 /nfs/dbraw/zinc/73/01/38/571730138.db2.gz NWDLGIBQKQCBTC-UHFFFAOYSA-N 0 1 137.182 1.445 10 0 ADAEMN C[C@@H](N)C(=O)c1cc(O)ccc1Cl 214195753 571730160 /nfs/dbraw/zinc/73/01/60/571730160.db2.gz QHFBOQUEXJNDEE-RXMQYKEDSA-N 0 1 199.637 1.576 10 0 ADAEMN C[N@H+]1CCC[C@H]1[C@H](C(=O)[O-])C1CCC1 214197288 571730192 /nfs/dbraw/zinc/73/01/92/571730192.db2.gz AUWOAFTYVOSANJ-VHSXEESVSA-N 0 1 197.278 1.582 10 0 ADAEMN CCN(C)c1nc([C@H](C)NC)cs1 70844855 571733063 /nfs/dbraw/zinc/73/30/63/571733063.db2.gz KQNGUROTYYXDAB-ZETCQYMHSA-N 0 1 199.323 1.880 10 0 ADAEMN C[N@H+]1CCC[C@@H]1[C@H](C(=O)[O-])C1CCC1 214197234 571731306 /nfs/dbraw/zinc/73/13/06/571731306.db2.gz AUWOAFTYVOSANJ-NXEZZACHSA-N 0 1 197.278 1.582 10 0 ADAEMN C[N@H+]1CC[C@H]([C@H](C(=O)[O-])C2CCC2)C1 214197092 571730261 /nfs/dbraw/zinc/73/02/61/571730261.db2.gz OHXLUDPCDAMKMG-VHSXEESVSA-N 0 1 197.278 1.439 10 0 ADAEMN O[C@H]1CCC[C@H]1N1CCCSC1 687798673 571730300 /nfs/dbraw/zinc/73/03/00/571730300.db2.gz PJVCMURSJFQJQC-BDAKNGLRSA-N 0 1 187.308 1.296 10 0 ADAEMN CN[C@H](c1ncccn1)[C@@H](C)COC 69905306 571730469 /nfs/dbraw/zinc/73/04/69/571730469.db2.gz OFWWXQUDEUGUTH-IUCAKERBSA-N 0 1 195.266 1.020 10 0 ADAEMN CC(C)C[C@@]1(C(=O)[O-])CCC[N@@H+](C)C1 214187557 571730514 /nfs/dbraw/zinc/73/05/14/571730514.db2.gz XMLGGTBSVSPUGK-NSHDSACASA-N 0 1 199.294 1.829 10 0 ADAEMN C[N@H+]1CCC[C@H]1[C@@H](CC(=O)[O-])C1CC1 214197439 571730727 /nfs/dbraw/zinc/73/07/27/571730727.db2.gz HWRMGGATDQKUOB-UWVGGRQHSA-N 0 1 197.278 1.582 10 0 ADAEMN COc1ccc(C)nc1C1(N)CC1 214186919 571730786 /nfs/dbraw/zinc/73/07/86/571730786.db2.gz LBTGWULVXMMPBF-UHFFFAOYSA-N 0 1 178.235 1.346 10 0 ADAEMN O=Nc1cnc2[nH]cccc1-2 24410477 571730787 /nfs/dbraw/zinc/73/07/87/571730787.db2.gz VCWSDDANNVVIKJ-UHFFFAOYSA-N 0 1 147.137 1.961 10 0 ADAEMN O[C@H]1CCC[C@@H]1N1CCCSC1 687798675 571730866 /nfs/dbraw/zinc/73/08/66/571730866.db2.gz PJVCMURSJFQJQC-IUCAKERBSA-N 0 1 187.308 1.296 10 0 ADAEMN C[N@H+]1CC[C@H]1[C@H](C(=O)[O-])C1CCCC1 214197732 571730901 /nfs/dbraw/zinc/73/09/01/571730901.db2.gz CUDBQMRBBFUNQG-VHSXEESVSA-N 0 1 197.278 1.582 10 0 ADAEMN C[N@H+]1CC[C@H]([C@@H](CC(=O)[O-])C2CC2)C1 214198982 571730971 /nfs/dbraw/zinc/73/09/71/571730971.db2.gz AUICDNVVTXCZOD-UWVGGRQHSA-N 0 1 197.278 1.439 10 0 ADAEMN C[N@H+]1CCCC[C@H]1[C@H](C(=O)[O-])C1CC1 214196993 571731617 /nfs/dbraw/zinc/73/16/17/571731617.db2.gz VOIMTLGZZDOOGZ-VHSXEESVSA-N 0 1 197.278 1.582 10 0 ADAEMN CCCCCCN1CC(O)C1 70839923 571733072 /nfs/dbraw/zinc/73/30/72/571733072.db2.gz RRNOQXADVVKZET-UHFFFAOYSA-N 0 1 157.257 1.243 10 0 ADAEMN CC(C)C[C@]1(C(=O)[O-])CCC[N@@H+](C)C1 214187502 571731152 /nfs/dbraw/zinc/73/11/52/571731152.db2.gz XMLGGTBSVSPUGK-LLVKDONJSA-N 0 1 199.294 1.829 10 0 ADAEMN C[N@H+]1CCC[C@@H]1[C@@H](CC(=O)[O-])C1CC1 214197376 571731295 /nfs/dbraw/zinc/73/12/95/571731295.db2.gz HWRMGGATDQKUOB-VHSXEESVSA-N 0 1 197.278 1.582 10 0 ADAEMN CC(C)(C)[N@H+]1CC[C@@H](CCC(=O)[O-])C1 214185209 571731344 /nfs/dbraw/zinc/73/13/44/571731344.db2.gz ZFMJPOVYPFAKPB-SECBINFHSA-N 0 1 199.294 1.972 10 0 ADAEMN C[N@H+]1CCCC[C@@H]1[C@H](C(=O)[O-])C1CC1 214196941 571731560 /nfs/dbraw/zinc/73/15/60/571731560.db2.gz VOIMTLGZZDOOGZ-NXEZZACHSA-N 0 1 197.278 1.582 10 0 ADAEMN C[C@H](N)C(=O)c1cc(O)ccc1Cl 214195704 571731850 /nfs/dbraw/zinc/73/18/50/571731850.db2.gz QHFBOQUEXJNDEE-YFKPBYRVSA-N 0 1 199.637 1.576 10 0 ADAEMN CC[N@H+]1CCCC[C@H](CCC(=O)[O-])C1 214185573 571731946 /nfs/dbraw/zinc/73/19/46/571731946.db2.gz GZAMPRZSPILREL-SNVBAGLBSA-N 0 1 199.294 1.973 10 0 ADAEMN CN[C@H](c1ncccn1)[C@H](C)COC 69905307 571732224 /nfs/dbraw/zinc/73/22/24/571732224.db2.gz OFWWXQUDEUGUTH-BDAKNGLRSA-N 0 1 195.266 1.020 10 0 ADAEMN CN[C@@H](c1ncccn1)[C@@H](C)COC 69905308 571732429 /nfs/dbraw/zinc/73/24/29/571732429.db2.gz OFWWXQUDEUGUTH-DTWKUNHWSA-N 0 1 195.266 1.020 10 0 ADAEMN CCN(C)c1nc([C@@H](C)NC)cs1 70844848 571732457 /nfs/dbraw/zinc/73/24/57/571732457.db2.gz KQNGUROTYYXDAB-SSDOTTSWSA-N 0 1 199.323 1.880 10 0 ADAEMN CN1CCC[C@@H](n2nccc2Cl)C1 214205645 571732651 /nfs/dbraw/zinc/73/26/51/571732651.db2.gz FANCYEWAWFEVJU-MRVPVSSYSA-N 0 1 199.685 1.803 10 0 ADAEMN CCCC[C@@H](CC)CN1CC(O)C1 70841343 571732777 /nfs/dbraw/zinc/73/27/77/571732777.db2.gz LASDIYZOKUNMSA-SNVBAGLBSA-N 0 1 185.311 1.879 10 0 ADAEMN CCN[C@@H](C)c1csc(N(C)C)n1 70844635 571732888 /nfs/dbraw/zinc/73/28/88/571732888.db2.gz HEHLKSISARROMI-ZETCQYMHSA-N 0 1 199.323 1.880 10 0 ADAEMN CN[C@@H](C)c1csc(COC)n1 70841211 571733287 /nfs/dbraw/zinc/73/32/87/571733287.db2.gz AELAXDJDDMNRLI-LURJTMIESA-N 0 1 186.280 1.570 10 0 ADAEMN CCCC[C@H](CC)CN1CC(O)C1 70841347 571733617 /nfs/dbraw/zinc/73/36/17/571733617.db2.gz LASDIYZOKUNMSA-JTQLQIEISA-N 0 1 185.311 1.879 10 0 ADAEMN CCc1ncc2ccncn12 24550186 571734265 /nfs/dbraw/zinc/73/42/65/571734265.db2.gz WYSWFXNAGFUIFK-UHFFFAOYSA-N 0 1 147.181 1.292 10 0 ADAEMN CCN[C@H](C)c1csc(N(C)C)n1 70844642 571734305 /nfs/dbraw/zinc/73/43/05/571734305.db2.gz HEHLKSISARROMI-SSDOTTSWSA-N 0 1 199.323 1.880 10 0 ADAEMN NCc1nc2c(N)cccc2s1 214217990 571734344 /nfs/dbraw/zinc/73/43/44/571734344.db2.gz VZVDFYZKBJLCKZ-UHFFFAOYSA-N 0 1 179.248 1.337 10 0 ADAEMN CN1CCC[C@H](n2nccc2Cl)C1 214205577 571734441 /nfs/dbraw/zinc/73/44/41/571734441.db2.gz FANCYEWAWFEVJU-QMMMGPOBSA-N 0 1 199.685 1.803 10 0 ADAEMN CCn1ccnc1N[C@](C)(CC)CO 70889507 571734754 /nfs/dbraw/zinc/73/47/54/571734754.db2.gz STJCFEDUPGJDGZ-SNVBAGLBSA-N 0 1 197.282 1.476 10 0 ADAEMN CC[N@@H+]([C@@H](C)C(=O)[O-])C(C)(C)C 11960178 571735604 /nfs/dbraw/zinc/73/56/04/571735604.db2.gz IFNIKULKYIILPJ-ZETCQYMHSA-N 0 1 173.256 1.580 10 0 ADAEMN CCn1ccnc1N[C@@](C)(CC)CO 70889501 571736356 /nfs/dbraw/zinc/73/63/56/571736356.db2.gz STJCFEDUPGJDGZ-JTQLQIEISA-N 0 1 197.282 1.476 10 0 ADAEMN Cc1cccc([C@H](N)N(C)C)c1 140565946 571736898 /nfs/dbraw/zinc/73/68/98/571736898.db2.gz OEGDQQKTIXRQKH-SNVBAGLBSA-N 0 1 164.252 1.514 10 0 ADAEMN NCc1onc2c1CCCC2 24731478 571738173 /nfs/dbraw/zinc/73/81/73/571738173.db2.gz ZZSOGAUXHWUNKH-UHFFFAOYSA-N 0 1 152.197 1.012 10 0 ADAEMN CCc1n[nH]c2c1NCCC2 24731378 571739339 /nfs/dbraw/zinc/73/93/39/571739339.db2.gz PIRGYGBZUYCVOZ-UHFFFAOYSA-N 0 1 151.213 1.330 10 0 ADAEMN CCc1[nH]nc2c1CCOC2 24731281 571739414 /nfs/dbraw/zinc/73/94/14/571739414.db2.gz LMNIJAKPVOTHIB-UHFFFAOYSA-N 0 1 152.197 1.045 10 0 ADAEMN C[C@](CO)(NC1CC1)c1ccccn1 38124066 571739774 /nfs/dbraw/zinc/73/97/74/571739774.db2.gz BYOXCEKYUOUTRK-LLVKDONJSA-N 0 1 192.262 1.041 10 0 ADAEMN CCn1cc([C@@H]2CCCCN2)nn1 214248975 571740200 /nfs/dbraw/zinc/74/02/00/571740200.db2.gz TYYVZXHFZWNOGS-QMMMGPOBSA-N 0 1 180.255 1.113 10 0 ADAEMN CN[C@@H](COC)c1ccc(Cl)o1 234416635 571741003 /nfs/dbraw/zinc/74/10/03/571741003.db2.gz WCEJZAVUSUNQAC-LURJTMIESA-N 0 1 189.642 1.840 10 0 ADAEMN C[C@@](CO)(NC1CC1)c1ccccn1 38124067 571740403 /nfs/dbraw/zinc/74/04/03/571740403.db2.gz BYOXCEKYUOUTRK-NSHDSACASA-N 0 1 192.262 1.041 10 0 ADAEMN CC[N@@H+](C)[C@@]1(C(=O)[O-])CCC[C@@H](C)C1 250070853 571740457 /nfs/dbraw/zinc/74/04/57/571740457.db2.gz RNULUMHSSQOVJN-KOLCDFICSA-N 0 1 199.294 1.972 10 0 ADAEMN CC[N@@H+](C)[C@]1(C(=O)[O-])CCC[C@@H](C)C1 250070857 571741020 /nfs/dbraw/zinc/74/10/20/571741020.db2.gz RNULUMHSSQOVJN-MWLCHTKSSA-N 0 1 199.294 1.972 10 0 ADAEMN CN[C@@H](COC)c1ccoc1Cl 234417211 571740698 /nfs/dbraw/zinc/74/06/98/571740698.db2.gz YALVKUMFZDAXFN-ZETCQYMHSA-N 0 1 189.642 1.840 10 0 ADAEMN OC[C@H](NC1CC1)c1ccccc1F 38124330 571740817 /nfs/dbraw/zinc/74/08/17/571740817.db2.gz UYFJBTDUWNJRDW-NSHDSACASA-N 0 1 195.237 1.611 10 0 ADAEMN OC[C@@H](NC1CC1)c1ccccc1F 38124329 571741082 /nfs/dbraw/zinc/74/10/82/571741082.db2.gz UYFJBTDUWNJRDW-LLVKDONJSA-N 0 1 195.237 1.611 10 0 ADAEMN C/C=C\CN1CCC(F)(F)[C@H](O)C1 379354107 571741681 /nfs/dbraw/zinc/74/16/81/571741681.db2.gz HMFDDVWPQFDGGP-YAJNLLPGSA-N 0 1 191.221 1.264 10 0 ADAEMN C[C@@H](CCC(=O)[O-])[C@H]1CCCC[N@H+]1C 214290021 571745027 /nfs/dbraw/zinc/74/50/27/571745027.db2.gz NSQOXMXEGMVMMB-VHSXEESVSA-N 0 1 199.294 1.972 10 0 ADAEMN COc1ccc(C(C)=N)c(O)c1 24862803 571741962 /nfs/dbraw/zinc/74/19/62/571741962.db2.gz XHQQCJGECSGAJS-UHFFFAOYSA-N 0 1 165.192 1.789 10 0 ADAEMN Oc1cccc2c1OC(=S)NC2 214265104 571742265 /nfs/dbraw/zinc/74/22/65/571742265.db2.gz FVMVQHWSWKHVMQ-UHFFFAOYSA-N 0 1 181.216 1.159 10 0 ADAEMN CC(C)[C@H](CC(=O)[O-])[C@@H]1CCC[N@H+]1C 214290462 571745046 /nfs/dbraw/zinc/74/50/46/571745046.db2.gz NKQBFROXOZJBFU-UWVGGRQHSA-N 0 1 199.294 1.828 10 0 ADAEMN CC(C)Cn1ccc(CNC2CC2)n1 70709048 571742425 /nfs/dbraw/zinc/74/24/25/571742425.db2.gz PSFUOHJUNKKTDA-UHFFFAOYSA-N 0 1 193.294 1.791 10 0 ADAEMN C[N@H+]1CC[C@@H](C(=O)[O-])[C@H](C2CC2)C1 214347134 571747633 /nfs/dbraw/zinc/74/76/33/571747633.db2.gz IGUFOESRRUBION-BDAKNGLRSA-N 0 1 183.251 1.049 10 0 ADAEMN CC(C)[C@H](CCC(=O)[O-])[C@@H]1CC[N@H+]1C 214290735 571744043 /nfs/dbraw/zinc/74/40/43/571744043.db2.gz ZMNIEGWCHYYKES-UWVGGRQHSA-N 0 1 199.294 1.828 10 0 ADAEMN C/C=C\CN1CCC(F)(F)[C@@H](O)C1 379354106 571744075 /nfs/dbraw/zinc/74/40/75/571744075.db2.gz HMFDDVWPQFDGGP-KZUAUGPASA-N 0 1 191.221 1.264 10 0 ADAEMN CC[C@H](CCC(=O)[O-])[C@H]1CC[N@@H+](C)C1 214292459 571744102 /nfs/dbraw/zinc/74/41/02/571744102.db2.gz UDQQIKYNSPGYIS-ZJUUUORDSA-N 0 1 199.294 1.829 10 0 ADAEMN C[C@H](CC(=O)[O-])[N@@H+](CC1CC1)C1CC1 70736677 571744181 /nfs/dbraw/zinc/74/41/81/571744181.db2.gz RAQKRUKDBGGKCV-MRVPVSSYSA-N 0 1 197.278 1.724 10 0 ADAEMN CC(C)[C@H](CCC(=O)[O-])[C@H]1CC[N@H+]1C 214290845 571744230 /nfs/dbraw/zinc/74/42/30/571744230.db2.gz ZMNIEGWCHYYKES-VHSXEESVSA-N 0 1 199.294 1.828 10 0 ADAEMN C[C@H](CC(=O)[O-])[C@H]1CCCC[N@@H+](C)C1 214289066 571744238 /nfs/dbraw/zinc/74/42/38/571744238.db2.gz BLKPSKPHURUWAV-ZJUUUORDSA-N 0 1 199.294 1.829 10 0 ADAEMN COC(=O)[C@@H](C)N(CC1CC1)C1CC1 70736690 571744344 /nfs/dbraw/zinc/74/43/44/571744344.db2.gz NZVOIYSETXBTPQ-MRVPVSSYSA-N 0 1 197.278 1.422 10 0 ADAEMN C[C@@H](CCC(=O)[O-])[C@H]1CCC[N@@H+](C)C1 214292002 571744376 /nfs/dbraw/zinc/74/43/76/571744376.db2.gz IRUJSGCORPMYBE-UWVGGRQHSA-N 0 1 199.294 1.829 10 0 ADAEMN C[C@H](CCC(=O)[O-])[C@@H]1CCCC[N@H+]1C 214289961 571745427 /nfs/dbraw/zinc/74/54/27/571745427.db2.gz NSQOXMXEGMVMMB-ZJUUUORDSA-N 0 1 199.294 1.972 10 0 ADAEMN C[C@@H](CC(=O)[O-])[C@H]1CCCCC[N@H+]1C 214289518 571744441 /nfs/dbraw/zinc/74/44/41/571744441.db2.gz LEPNCRYWZSSPFH-VHSXEESVSA-N 0 1 199.294 1.972 10 0 ADAEMN CC[C@@H](C(=O)[O-])[C@@H]1CCCCC[N@H+]1C 214289209 571744471 /nfs/dbraw/zinc/74/44/71/571744471.db2.gz VHACBNLADFWKSK-ZJUUUORDSA-N 0 1 199.294 1.972 10 0 ADAEMN CC(C)[C@@H](CC(=O)[O-])[C@@H]1CCC[N@H+]1C 214290401 571744582 /nfs/dbraw/zinc/74/45/82/571744582.db2.gz NKQBFROXOZJBFU-ZJUUUORDSA-N 0 1 199.294 1.828 10 0 ADAEMN CC[C@@H](C(=O)[O-])[C@@H]1CCCC[N@@H+](C)C1 214288708 571744643 /nfs/dbraw/zinc/74/46/43/571744643.db2.gz QEKAOQCDHWEBOG-NXEZZACHSA-N 0 1 199.294 1.829 10 0 ADAEMN CC(C)[C@@H](CCC(=O)[O-])[C@H]1CC[N@H+]1C 214290790 571744651 /nfs/dbraw/zinc/74/46/51/571744651.db2.gz ZMNIEGWCHYYKES-NXEZZACHSA-N 0 1 199.294 1.828 10 0 ADAEMN CC[C@H](CCC(=O)[O-])[C@@H]1CC[N@@H+](C)C1 214292353 571744672 /nfs/dbraw/zinc/74/46/72/571744672.db2.gz UDQQIKYNSPGYIS-NXEZZACHSA-N 0 1 199.294 1.829 10 0 ADAEMN C[C@H](CC(=O)[O-])[C@@H]1CCCCC[N@H+]1C 214289458 571744871 /nfs/dbraw/zinc/74/48/71/571744871.db2.gz LEPNCRYWZSSPFH-ZJUUUORDSA-N 0 1 199.294 1.972 10 0 ADAEMN CC[C@H](C(=O)[O-])[C@H]1CCCCC[N@H+]1C 214289260 571744889 /nfs/dbraw/zinc/74/48/89/571744889.db2.gz VHACBNLADFWKSK-VHSXEESVSA-N 0 1 199.294 1.972 10 0 ADAEMN CC(C)[C@@H](CC(=O)[O-])[C@H]1CCC[N@H+]1C 214290516 571744894 /nfs/dbraw/zinc/74/48/94/571744894.db2.gz NKQBFROXOZJBFU-NXEZZACHSA-N 0 1 199.294 1.828 10 0 ADAEMN C[C@H](CC(=O)[O-])[C@@H]1CCCC[N@@H+](C)C1 214288955 571744902 /nfs/dbraw/zinc/74/49/02/571744902.db2.gz BLKPSKPHURUWAV-NXEZZACHSA-N 0 1 199.294 1.829 10 0 ADAEMN CC[C@](N)(COC)c1cscn1 393421702 571744913 /nfs/dbraw/zinc/74/49/13/571744913.db2.gz AWBWCNKHMAFGHS-QMMMGPOBSA-N 0 1 186.280 1.354 10 0 ADAEMN CC[C@@H](CC(=O)[O-])[C@H]1CCCC[N@H+]1C 214289765 571744915 /nfs/dbraw/zinc/74/49/15/571744915.db2.gz NKYQJHYXJXXXNO-VHSXEESVSA-N 0 1 199.294 1.972 10 0 ADAEMN C[C@@H](CC(=O)[O-])[C@@H]1CCCCC[N@H+]1C 214289402 571744933 /nfs/dbraw/zinc/74/49/33/571744933.db2.gz LEPNCRYWZSSPFH-UWVGGRQHSA-N 0 1 199.294 1.972 10 0 ADAEMN C[C@H](CCC(=O)[O-])[C@@H]1CCC[N@@H+](C)C1 214291947 571744943 /nfs/dbraw/zinc/74/49/43/571744943.db2.gz IRUJSGCORPMYBE-NXEZZACHSA-N 0 1 199.294 1.829 10 0 ADAEMN CC[C@H](CCC(=O)[O-])[C@H]1CCC[N@H+]1C 214290330 571744947 /nfs/dbraw/zinc/74/49/47/571744947.db2.gz HNSVPCMQAGSQKG-NXEZZACHSA-N 0 1 199.294 1.972 10 0 ADAEMN C[C@@H](CC(=O)[O-])[C@@H]1CCCC[N@@H+](C)C1 214288896 571744960 /nfs/dbraw/zinc/74/49/60/571744960.db2.gz BLKPSKPHURUWAV-VHSXEESVSA-N 0 1 199.294 1.829 10 0 ADAEMN CN[C@@H](CC1CCOCC1)C(F)F 234420224 571745133 /nfs/dbraw/zinc/74/51/33/571745133.db2.gz HKVNJLHHTOWBRX-QMMMGPOBSA-N 0 1 193.237 1.656 10 0 ADAEMN CC[C@H](CCC(=O)[O-])[C@@H]1CCC[N@H+]1C 214290215 571745272 /nfs/dbraw/zinc/74/52/72/571745272.db2.gz HNSVPCMQAGSQKG-ZJUUUORDSA-N 0 1 199.294 1.972 10 0 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/nfs/dbraw/zinc/78/23/58/571782358.db2.gz KGUGOGQETWNOAA-UHFFFAOYSA-N 0 1 150.225 1.789 10 0 ADAEMN C[C@@H]1CC[C@@H](NCc2ccno2)CO1 335655506 571782385 /nfs/dbraw/zinc/78/23/85/571782385.db2.gz KMXPZPCOTCLJNQ-RKDXNWHRSA-N 0 1 196.250 1.332 10 0 ADAEMN Cc1cc(C)c(C=O)c(N)n1 39048679 571782391 /nfs/dbraw/zinc/78/23/91/571782391.db2.gz FNPREIDDZNSNDD-UHFFFAOYSA-N 0 1 150.181 1.093 10 0 ADAEMN C[C@H]1CC[C@@H](NCc2ccno2)CO1 335655504 571782418 /nfs/dbraw/zinc/78/24/18/571782418.db2.gz KMXPZPCOTCLJNQ-DTWKUNHWSA-N 0 1 196.250 1.332 10 0 ADAEMN CC[C@H]1C[C@H]1n1cnc2c1CCNC2 234160600 571783439 /nfs/dbraw/zinc/78/34/39/571783439.db2.gz WDWFWFZFTJXMGH-GZMMTYOYSA-N 0 1 191.278 1.500 10 0 ADAEMN CCOCCCC(=O)[C@H]1CCCN1C 689361948 571783994 /nfs/dbraw/zinc/78/39/94/571783994.db2.gz BNRHDNBLFYMZJX-SNVBAGLBSA-N 0 1 199.294 1.466 10 0 ADAEMN CCOCN1CCCC1 1716239 571784124 /nfs/dbraw/zinc/78/41/24/571784124.db2.gz FQQLPHRTYNPTLT-UHFFFAOYSA-N 0 1 129.203 1.076 10 0 ADAEMN CCCCCC[C@H]1COC(N)=N1 39116443 571784334 /nfs/dbraw/zinc/78/43/34/571784334.db2.gz XHHMEVGBHSZLCX-QMMMGPOBSA-N 0 1 170.256 1.670 10 0 ADAEMN C[C@@H]1CC[C@H](NCc2ccno2)CO1 335655503 571784410 /nfs/dbraw/zinc/78/44/10/571784410.db2.gz KMXPZPCOTCLJNQ-BDAKNGLRSA-N 0 1 196.250 1.332 10 0 ADAEMN C[C@H]1CC[C@H](NCc2ccno2)CO1 335655505 571784564 /nfs/dbraw/zinc/78/45/64/571784564.db2.gz KMXPZPCOTCLJNQ-IUCAKERBSA-N 0 1 196.250 1.332 10 0 ADAEMN CCOCCCC(=O)[C@@H]1CCCN1C 689361941 571784969 /nfs/dbraw/zinc/78/49/69/571784969.db2.gz BNRHDNBLFYMZJX-JTQLQIEISA-N 0 1 199.294 1.466 10 0 ADAEMN Cc1ccc2nc(CN)nc(C)c2c1 214493695 571785592 /nfs/dbraw/zinc/78/55/92/571785592.db2.gz OKLUPZPGMMMZTN-UHFFFAOYSA-N 0 1 187.246 1.705 10 0 ADAEMN CCC1NC(CC(F)(F)F)=NC1=O 234169846 571785908 /nfs/dbraw/zinc/78/59/08/571785908.db2.gz ZGDNFNRSVTYWII-UHFFFAOYSA-N 0 1 194.156 1.783 10 0 ADAEMN Cc1ccc2c(C)nc(CN)nc2c1 214493774 571785937 /nfs/dbraw/zinc/78/59/37/571785937.db2.gz UJFVKKJWJJWGLO-UHFFFAOYSA-N 0 1 187.246 1.705 10 0 ADAEMN CC(C)(C)[C@@H]1CC(=O)CC(=O)O1 140165013 571786267 /nfs/dbraw/zinc/78/62/67/571786267.db2.gz AFKFRAZMJIIIOH-ZETCQYMHSA-N 0 1 170.208 1.307 10 0 ADAEMN Br[C@@H]1CCCN1 167836603 571786427 /nfs/dbraw/zinc/78/64/27/571786427.db2.gz OQOHAYDTAXDXLE-BYPYZUCNSA-N 0 1 150.019 1.091 10 0 ADAEMN CCC1NC(C(C)(C)OC)=NC1=O 234169551 571786460 /nfs/dbraw/zinc/78/64/60/571786460.db2.gz ZJTKRJVKNITRBH-UHFFFAOYSA-N 0 1 184.239 1.559 10 0 ADAEMN CCSc1nnc(CN)n1C1CC1 71375678 571786985 /nfs/dbraw/zinc/78/69/85/571786985.db2.gz WBEQODTZEYUOHT-UHFFFAOYSA-N 0 1 198.295 1.184 10 0 ADAEMN Cc1cccc2nc(CN)nc(C)c12 214493608 571787592 /nfs/dbraw/zinc/78/75/92/571787592.db2.gz POQZYRLUFPJDHA-UHFFFAOYSA-N 0 1 187.246 1.705 10 0 ADAEMN CC[C@H]1C[C@@H]1n1cnc2c1CCNC2 234176391 571787197 /nfs/dbraw/zinc/78/71/97/571787197.db2.gz WDWFWFZFTJXMGH-KWQFWETISA-N 0 1 191.278 1.500 10 0 ADAEMN Cc1nc(CN)nc2c(C)cccc12 214493851 571787599 /nfs/dbraw/zinc/78/75/99/571787599.db2.gz HKUREHHXBOLTTH-UHFFFAOYSA-N 0 1 187.246 1.705 10 0 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194.282 1.270 10 0 ADAEMN N=C1NCc2ccc(C3CC3)nc21 116956434 571796147 /nfs/dbraw/zinc/79/61/47/571796147.db2.gz GXVKNWYMLPWMQA-UHFFFAOYSA-N 0 1 173.219 1.178 10 0 ADAEMN CCn1cnnc1[C@H]1NCCC[C@@H]1C 234195308 571796301 /nfs/dbraw/zinc/79/63/01/571796301.db2.gz ZLGXGEKOUPXDDQ-IUCAKERBSA-N 0 1 194.282 1.359 10 0 ADAEMN CCN([C@H](C)COC)[C@H](C)C(C)=O 249884763 571797000 /nfs/dbraw/zinc/79/70/00/571797000.db2.gz BSUPSYHDNZWCTO-RKDXNWHRSA-N 0 1 187.283 1.321 10 0 ADAEMN C[C@H]1CN(C)[C@@H](C)c2cc(C=O)[nH]c21 27655667 571797019 /nfs/dbraw/zinc/79/70/19/571797019.db2.gz FIFCZOGXQZGRJO-YUMQZZPRSA-N 0 1 192.262 1.937 10 0 ADAEMN FC1CC2(C1)CN([C@@H]1CCOC1)C2 687801331 571797143 /nfs/dbraw/zinc/79/71/43/571797143.db2.gz BPSQXGSBUOZCEY-SECBINFHSA-N 0 1 185.242 1.209 10 0 ADAEMN COc1c(C[NH3+])ccc([O-])c1Cl 214506074 571797215 /nfs/dbraw/zinc/79/72/15/571797215.db2.gz YHSFLNMFRMSEBN-UHFFFAOYSA-N 0 1 187.626 1.513 10 0 ADAEMN COc1cc(Cl)oc1C1(N)CC1 214504762 571797796 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166.228 1.907 10 0 ADAEMN O=C(Cc1cnc[nH]1)c1ccccc1 39185251 571907862 /nfs/dbraw/zinc/90/78/62/571907862.db2.gz JVVQXSCWTQMEFA-UHFFFAOYSA-N 0 1 186.214 1.835 10 0 ADAEMN CCn1cc(-c2cc(CN)on2)cn1 234261895 571907950 /nfs/dbraw/zinc/90/79/50/571907950.db2.gz UTOXHNJDVSIPKB-UHFFFAOYSA-N 0 1 192.222 1.017 10 0 ADAEMN NC(=[NH2+])Nc1ccc([O-])c(Cl)c1 39191367 571907974 /nfs/dbraw/zinc/90/79/74/571907974.db2.gz HRMBWAVJOSQCTM-UHFFFAOYSA-N 0 1 185.614 1.351 10 0 ADAEMN COC[C@H](C)Nc1nccn1C1CC1 234728267 571908103 /nfs/dbraw/zinc/90/81/03/571908103.db2.gz CWJJTACBCOGNSR-QMMMGPOBSA-N 0 1 195.266 1.665 10 0 ADAEMN COC[C@H](C)Nc1nccn1C(C)C 234728130 571908197 /nfs/dbraw/zinc/90/81/97/571908197.db2.gz SQYBKIUYTMLRAU-VIFPVBQESA-N 0 1 197.282 1.911 10 0 ADAEMN Cc1[nH]sc2nc(=S)[nH]c(=O)c1-2 39191809 571908596 /nfs/dbraw/zinc/90/85/96/571908596.db2.gz QHJNLLRQQIBTGM-UHFFFAOYSA-N 0 1 199.260 1.763 10 0 ADAEMN C/C(=C/Cl)CN1CCC(O)CC1 379322376 571908639 /nfs/dbraw/zinc/90/86/39/571908639.db2.gz IROYGAUCCJOGCO-VURMDHGXSA-N 0 1 189.686 1.586 10 0 ADAEMN C/C=C\C[N@H+]1CC[C@H](C)[C@H]1C(=O)[O-] 388160688 571908721 /nfs/dbraw/zinc/90/87/21/571908721.db2.gz JFRMJMUDZKUSRE-HIYAPSCVSA-N 0 1 183.251 1.358 10 0 ADAEMN C[C@@H]1CCN(C/C=C\Cl)C[C@@H]1O 379323563 571909011 /nfs/dbraw/zinc/90/90/11/571909011.db2.gz RAVDOTZMFLQSMR-SJLHTBIVSA-N 0 1 189.686 1.442 10 0 ADAEMN C[C@@H]1OC(=N)N[C@@H]1c1ccccc1 39212917 571909411 /nfs/dbraw/zinc/90/94/11/571909411.db2.gz IWNFIPMRVNYHKU-CBAPKCEASA-N 0 1 176.219 1.461 10 0 ADAEMN Cc1ccc(-c2nn(C)c(=O)[nH]2)cc1 39209939 571909974 /nfs/dbraw/zinc/90/99/74/571909974.db2.gz UZKVGERWCHCMRU-UHFFFAOYSA-N 0 1 189.218 1.084 10 0 ADAEMN C[C@H]1OC(=N)N[C@@H]1c1ccccc1 39212916 571910567 /nfs/dbraw/zinc/91/05/67/571910567.db2.gz IWNFIPMRVNYHKU-APPZFPTMSA-N 0 1 176.219 1.461 10 0 ADAEMN C[C@H](CC1CC1)[N@@H+](C)C(C)(C)C(=O)[O-] 229758505 571910924 /nfs/dbraw/zinc/91/09/24/571910924.db2.gz JAQWXXJCYTVJLC-MRVPVSSYSA-N 0 1 199.294 1.970 10 0 ADAEMN C[C@@H]1OC(=N)N[C@H]1c1ccccc1 39212915 571911011 /nfs/dbraw/zinc/91/10/11/571911011.db2.gz IWNFIPMRVNYHKU-IONNQARKSA-N 0 1 176.219 1.461 10 0 ADAEMN Cc1cc(NCCCCO)ncc1N 235772650 571911071 /nfs/dbraw/zinc/91/10/71/571911071.db2.gz ZWIJZHRRZSQRIU-UHFFFAOYSA-N 0 1 195.266 1.157 10 0 ADAEMN C[C@H]1OC(=N)N[C@H]1c1ccccc1 39212914 571911129 /nfs/dbraw/zinc/91/11/29/571911129.db2.gz IWNFIPMRVNYHKU-VXNVDRBHSA-N 0 1 176.219 1.461 10 0 ADAEMN C[C@H](CO)NCc1ccoc1Cl 235452638 571911159 /nfs/dbraw/zinc/91/11/59/571911159.db2.gz PJNQUXZPSSNKBG-ZCFIWIBFSA-N 0 1 189.642 1.403 10 0 ADAEMN Cc1nc(C(C)(C)C)[nH]c1C=O 39236942 571912330 /nfs/dbraw/zinc/91/23/30/571912330.db2.gz UETFVEJXNHDCPU-UHFFFAOYSA-N 0 1 166.224 1.828 10 0 ADAEMN C[N@H+]1CCCC[C@@H]1/C=C/CCO 687679050 571913066 /nfs/dbraw/zinc/91/30/66/571913066.db2.gz CSHXZNHERBYBPW-KFEJWOFMSA-N 0 1 169.268 1.409 10 0 ADAEMN C[C@@H](CC1CC1)[N@@H+](C)C(C)(C)C(=O)[O-] 229758499 571912888 /nfs/dbraw/zinc/91/28/88/571912888.db2.gz JAQWXXJCYTVJLC-QMMMGPOBSA-N 0 1 199.294 1.970 10 0 ADAEMN COC[C@@H](C)n1ccnc1NC1CC1 234730636 571912989 /nfs/dbraw/zinc/91/29/89/571912989.db2.gz UQHZAMVPPMGKTP-MRVPVSSYSA-N 0 1 195.266 1.665 10 0 ADAEMN Cc1cnccc1/C=C\N(C)C 687678400 571913050 /nfs/dbraw/zinc/91/30/50/571913050.db2.gz NMHFJJLAWJZKQY-ALCCZGGFSA-N 0 1 162.236 1.922 10 0 ADAEMN COC[C@@H](C)n1ccnc1NC(C)C 234730217 571913885 /nfs/dbraw/zinc/91/38/85/571913885.db2.gz HCXPKVAWNUTBNB-SECBINFHSA-N 0 1 197.282 1.911 10 0 ADAEMN C[N@H+]1CCCC[C@H]1/C=C/CCO 687679049 571913978 /nfs/dbraw/zinc/91/39/78/571913978.db2.gz CSHXZNHERBYBPW-HTZNOQTFSA-N 0 1 169.268 1.409 10 0 ADAEMN Nc1c(F)c(O)c(F)c(F)c1F 39246603 571914080 /nfs/dbraw/zinc/91/40/80/571914080.db2.gz VDWJBIGTNCXVHO-UHFFFAOYSA-N 0 1 181.088 1.531 10 0 ADAEMN C[N@H+]1CCCC[C@H]1/C=C/C(=O)[O-] 687678956 571914114 /nfs/dbraw/zinc/91/41/14/571914114.db2.gz QBMVFABZIRONOC-GJIOHYHPSA-N 0 1 169.224 1.112 10 0 ADAEMN C[C@H]1CN2CNc3ccccc3C2=N1 39248790 571914179 /nfs/dbraw/zinc/91/41/79/571914179.db2.gz GDSVCWRNRCPKKF-QMMMGPOBSA-N 0 1 187.246 1.520 10 0 ADAEMN C[C@@H]1CN2CNc3ccccc3C2=N1 39248789 571914340 /nfs/dbraw/zinc/91/43/40/571914340.db2.gz GDSVCWRNRCPKKF-MRVPVSSYSA-N 0 1 187.246 1.520 10 0 ADAEMN Cc1ccc(C)c(NC(=O)CN)c1C 39245177 571914453 /nfs/dbraw/zinc/91/44/53/571914453.db2.gz QXINHCPSJNJFOL-UHFFFAOYSA-N 0 1 192.262 1.509 10 0 ADAEMN COCCn1ccnc1NC1CC1 234733395 571914586 /nfs/dbraw/zinc/91/45/86/571914586.db2.gz RVEGBYPUZRRWPW-UHFFFAOYSA-N 0 1 181.239 1.104 10 0 ADAEMN CC[N@H+]1CCC[C@H]1/C=C/C(=O)[O-] 687678937 571914852 /nfs/dbraw/zinc/91/48/52/571914852.db2.gz DROBPDBZENERER-GJIOHYHPSA-N 0 1 169.224 1.112 10 0 ADAEMN CCCN1CC(C)(C)NC(C)(C)C1=O 39249724 571914705 /nfs/dbraw/zinc/91/47/05/571914705.db2.gz XXJDAKYACQABOQ-UHFFFAOYSA-N 0 1 198.310 1.385 10 0 ADAEMN COC[C@H](C)n1ccnc1NC1CC1 234730641 571914772 /nfs/dbraw/zinc/91/47/72/571914772.db2.gz UQHZAMVPPMGKTP-QMMMGPOBSA-N 0 1 195.266 1.665 10 0 ADAEMN C[N@H+]1CCC[C@H]1C/C=C/C(=O)[O-] 687678933 571914909 /nfs/dbraw/zinc/91/49/09/571914909.db2.gz CCRFXKLGXANIMQ-FSKCJDSRSA-N 0 1 169.224 1.112 10 0 ADAEMN C[N@H+]1CCC[C@@H]1C/C=C/C(=O)[O-] 687678934 571915026 /nfs/dbraw/zinc/91/50/26/571915026.db2.gz CCRFXKLGXANIMQ-HYTREOMXSA-N 0 1 169.224 1.112 10 0 ADAEMN C[N@H+]1CCCC[C@@H]1/C=C/C(=O)[O-] 687678957 571915336 /nfs/dbraw/zinc/91/53/36/571915336.db2.gz QBMVFABZIRONOC-HQZHTGGTSA-N 0 1 169.224 1.112 10 0 ADAEMN COCCn1ccnc1NC1CCC1 234733556 571915344 /nfs/dbraw/zinc/91/53/44/571915344.db2.gz TWELYXRBDNGXKR-UHFFFAOYSA-N 0 1 195.266 1.494 10 0 ADAEMN CC[N@H+]1CCC[C@@H]1/C=C/C(=O)[O-] 687678938 571915437 /nfs/dbraw/zinc/91/54/37/571915437.db2.gz DROBPDBZENERER-HQZHTGGTSA-N 0 1 169.224 1.112 10 0 ADAEMN COC[C@H](C)n1ccnc1NC(C)C 234730259 571915456 /nfs/dbraw/zinc/91/54/56/571915456.db2.gz HCXPKVAWNUTBNB-VIFPVBQESA-N 0 1 197.282 1.911 10 0 ADAEMN COCCn1ccnc1NC(C)C 234732902 571915579 /nfs/dbraw/zinc/91/55/79/571915579.db2.gz YFAFHOPAOBYHBX-UHFFFAOYSA-N 0 1 183.255 1.350 10 0 ADAEMN COCCn1ccnc1NC(C)(C)C 234732690 571916001 /nfs/dbraw/zinc/91/60/01/571916001.db2.gz POPBIRJDZRNGOV-UHFFFAOYSA-N 0 1 197.282 1.740 10 0 ADAEMN COC1CC(N[C@@H](C)c2ncc[nH]2)C1 234734386 571916063 /nfs/dbraw/zinc/91/60/63/571916063.db2.gz HLKGVRHYBOAPRL-UEJVZZJDSA-N 0 1 195.266 1.238 10 0 ADAEMN COCCn1ccnc1NCC1CC1 234735264 571916256 /nfs/dbraw/zinc/91/62/56/571916256.db2.gz UPYZAVVTBPCJKI-UHFFFAOYSA-N 0 1 195.266 1.351 10 0 ADAEMN C[C@@H]1C[C@@H](C(=O)[O-])[N@H+]1C1CCCCC1 39258622 571916607 /nfs/dbraw/zinc/91/66/07/571916607.db2.gz FRKCLYKQGDSXFH-SCZZXKLOSA-N 0 1 197.278 1.867 10 0 ADAEMN C[C@H]1C[C@H](C(=O)[O-])[N@H+]1C(C)(C)C 39258617 571916789 /nfs/dbraw/zinc/91/67/89/571916789.db2.gz SEOONUOATXHOLS-NKWVEPMBSA-N 0 1 171.240 1.332 10 0 ADAEMN C[C@@H]1C[C@H](C(=O)[O-])[N@H+]1C1CCCCC1 39258620 571916796 /nfs/dbraw/zinc/91/67/96/571916796.db2.gz FRKCLYKQGDSXFH-PSASIEDQSA-N 0 1 197.278 1.867 10 0 ADAEMN CP1CCC(O)CC1 139355637 571917044 /nfs/dbraw/zinc/91/70/44/571917044.db2.gz CHGLFEOWQDEWOT-UHFFFAOYSA-N 0 1 132.143 1.253 10 0 ADAEMN C[C@H]1C[C@@H](C(=O)[O-])[N@H+]1C(C)(C)C 39258619 571917384 /nfs/dbraw/zinc/91/73/84/571917384.db2.gz SEOONUOATXHOLS-BQBZGAKWSA-N 0 1 171.240 1.332 10 0 ADAEMN C[C@H]1C[C@H](C(=O)[O-])[N@H+]1C1CCCCC1 39258621 571917395 /nfs/dbraw/zinc/91/73/95/571917395.db2.gz FRKCLYKQGDSXFH-WCBMZHEXSA-N 0 1 197.278 1.867 10 0 ADAEMN COc1cccnc1[C@@H](N)[C@H](C)OC 234734472 571917443 /nfs/dbraw/zinc/91/74/43/571917443.db2.gz METXYSWBOYYHBZ-CBAPKCEASA-N 0 1 196.250 1.125 10 0 ADAEMN C[C@@H]1C[C@H](C(=O)[O-])[N@H+]1C(C)(C)C 39258616 571917579 /nfs/dbraw/zinc/91/75/79/571917579.db2.gz SEOONUOATXHOLS-RNFRBKRXSA-N 0 1 171.240 1.332 10 0 ADAEMN COCCn1ccnc1NCC(C)C 234734778 571917788 /nfs/dbraw/zinc/91/77/88/571917788.db2.gz XWOUOOBQZSBUQX-UHFFFAOYSA-N 0 1 197.282 1.597 10 0 ADAEMN C[C@H]1C[C@@H](C(=O)[O-])[N@H+]1C1CCCCC1 39258623 571917905 /nfs/dbraw/zinc/91/79/05/571917905.db2.gz FRKCLYKQGDSXFH-WPRPVWTQSA-N 0 1 197.278 1.867 10 0 ADAEMN COCCNCc1ccoc1Cl 234734541 571918163 /nfs/dbraw/zinc/91/81/63/571918163.db2.gz LFLCYYJDNYPIGP-UHFFFAOYSA-N 0 1 189.642 1.669 10 0 ADAEMN CCc1cc(C=CC(=O)OC)[nH]n1 687679822 571919487 /nfs/dbraw/zinc/91/94/87/571919487.db2.gz DTQWZHCIPWUPAS-PLNGDYQASA-N 0 1 180.207 1.158 10 0 ADAEMN CP1CC=C(CCO)CC1 139417017 571920506 /nfs/dbraw/zinc/92/05/06/571920506.db2.gz ZAHSXUNEIZRDOR-UHFFFAOYSA-N 0 1 158.181 1.811 10 0 ADAEMN CC(C)[C@@H](C)[N@H+]1CC[C@@H](CC(=O)[O-])C1 227714266 571921171 /nfs/dbraw/zinc/92/11/71/571921171.db2.gz QPOYFHDADMPYIT-ZJUUUORDSA-N 0 1 199.294 1.828 10 0 ADAEMN CCOC(=O)C=Cc1cc(C)n[nH]1 687679840 571920879 /nfs/dbraw/zinc/92/08/79/571920879.db2.gz WPMPGXSXTIELDO-PLNGDYQASA-N 0 1 180.207 1.294 10 0 ADAEMN CC(C)[C@H](C)[N@H+]1CC[C@@H](CC(=O)[O-])C1 227714270 571920893 /nfs/dbraw/zinc/92/08/93/571920893.db2.gz QPOYFHDADMPYIT-UWVGGRQHSA-N 0 1 199.294 1.828 10 0 ADAEMN COC(=O)c1csc(CN(C)C)c1 39341916 571921349 /nfs/dbraw/zinc/92/13/49/571921349.db2.gz LTXDHLDEHBUVPH-UHFFFAOYSA-N 0 1 199.275 1.596 10 0 ADAEMN c1csc(C2=NCCCN2)c1 196141108 571922144 /nfs/dbraw/zinc/92/21/44/571922144.db2.gz CKXPPDWBZSHQMR-UHFFFAOYSA-N 0 1 166.249 1.488 10 0 ADAEMN CO[P@@H](=O)c1ccccc1 113417836 571922166 /nfs/dbraw/zinc/92/21/66/571922166.db2.gz JCZQAHUJBMAJGZ-UHFFFAOYSA-N 0 1 156.121 1.433 10 0 ADAEMN [NH3+]C/C=C\c1ccc([O-])c(F)c1F 687680467 571922485 /nfs/dbraw/zinc/92/24/85/571922485.db2.gz XPKCIGPDGJQEEU-UPHRSURJSA-N 0 1 185.173 1.642 10 0 ADAEMN OCc1nc[nH]c1Cc1ccccc1 39341426 571922569 /nfs/dbraw/zinc/92/25/69/571922569.db2.gz IJPKRMQNDBHWHM-UHFFFAOYSA-N 0 1 188.230 1.493 10 0 ADAEMN C[N@H+]1CCC[C@@H]1C/C=C/CC(=O)[O-] 687680173 571922637 /nfs/dbraw/zinc/92/26/37/571922637.db2.gz RKFDKXWVWTZLRT-HPOULIHZSA-N 0 1 183.251 1.502 10 0 ADAEMN C[C@H](CNC1COC1)c1nccs1 235478474 571922790 /nfs/dbraw/zinc/92/27/90/571922790.db2.gz ZMASFNBQIGSTLL-SSDOTTSWSA-N 0 1 198.291 1.235 10 0 ADAEMN CC[N@H+]1CC[C@H](/C=C/CC(=O)[O-])C1 687680178 571923227 /nfs/dbraw/zinc/92/32/27/571923227.db2.gz BPULINDDTOZNHO-NWALNABHSA-N 0 1 183.251 1.359 10 0 ADAEMN C[N@H+]1CCCC[C@H]1/C=C/CC(=O)[O-] 687680163 571923253 /nfs/dbraw/zinc/92/32/53/571923253.db2.gz FXOYFAGIHRMSFF-DNQSNQRASA-N 0 1 183.251 1.502 10 0 ADAEMN C[N@H+]1CC[C@H](C/C=C/CC(=O)[O-])C1 687680185 571923205 /nfs/dbraw/zinc/92/32/05/571923205.db2.gz BFQIEYBLULCQAR-HPOULIHZSA-N 0 1 183.251 1.359 10 0 ADAEMN Cc1[nH]ncc1CNOCC1CCC1 711209918 571923345 /nfs/dbraw/zinc/92/33/45/571923345.db2.gz VIICBDVWGCZKBJ-UHFFFAOYSA-N 0 1 195.266 1.539 10 0 ADAEMN [NH3+]C/C=C\c1cc(F)c([O-])c(F)c1 687680477 571923579 /nfs/dbraw/zinc/92/35/79/571923579.db2.gz NHRJIPSTLCUVGP-UPHRSURJSA-N 0 1 185.173 1.642 10 0 ADAEMN [NH3+]C/C=C\c1ccc(F)c([O-])c1F 687680473 571923689 /nfs/dbraw/zinc/92/36/89/571923689.db2.gz FROUAMIWMUKDHQ-UPHRSURJSA-N 0 1 185.173 1.642 10 0 ADAEMN C[N@H+]1CCC[C@@H](/C=C/CC(=O)[O-])C1 687680193 571923753 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CC[N@H+]1CCCC[C@H]1/C=C/CC(=O)[O-] 687682249 571935244 /nfs/dbraw/zinc/93/52/44/571935244.db2.gz RWWXBNWZQZARAA-STUBTGCMSA-N 0 1 197.278 1.892 10 0 ADAEMN CC(C)[N@H+]1CC[C@@H](/C=C/CC(=O)[O-])C1 687682229 571935354 /nfs/dbraw/zinc/93/53/54/571935354.db2.gz GGTCYWUUWDAITF-HMDXOVGESA-N 0 1 197.278 1.748 10 0 ADAEMN CC(C)[N@H+]1CCCC[C@@H]1/C=C/C(=O)[O-] 687682129 571935473 /nfs/dbraw/zinc/93/54/73/571935473.db2.gz FNEJTXSNTXCUPU-VQCYPWCPSA-N 0 1 197.278 1.890 10 0 ADAEMN CC(C)[N@H+]1CC[C@H](C/C=C/C(=O)[O-])C1 687682162 571935493 /nfs/dbraw/zinc/93/54/93/571935493.db2.gz FPAYPRTYLIMOOB-GFAPAMAISA-N 0 1 197.278 1.748 10 0 ADAEMN CC[N@H+]1CCC[C@H](C/C=C/C(=O)[O-])C1 687682107 571935546 /nfs/dbraw/zinc/93/55/46/571935546.db2.gz NJBZTUVRMLIUTA-HTZNOQTFSA-N 0 1 197.278 1.749 10 0 ADAEMN CC(C)[N@H+]1CC[C@H](/C=C/CC(=O)[O-])C1 687682228 571935630 /nfs/dbraw/zinc/93/56/30/571935630.db2.gz GGTCYWUUWDAITF-FSIBCCDJSA-N 0 1 197.278 1.748 10 0 ADAEMN C[C@H](NC[C@@H]1CCO[C@@H]1C)C(F)F 235504636 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1 199.294 1.828 10 0 ADAEMN CCOC(=O)[C@@H](C)N(C)C[C@@H]1C[C@@H]1C 82649015 572071525 /nfs/dbraw/zinc/07/15/25/572071525.db2.gz OJSQDLZBFNQGBH-AEJSXWLSSA-N 0 1 199.294 1.526 10 0 ADAEMN CCC(CC)[N@@H+](C)CCCC(=O)[O-] 36789361 572071681 /nfs/dbraw/zinc/07/16/81/572071681.db2.gz XKHDVWVDUXUFTM-UHFFFAOYSA-N 0 1 187.283 1.972 10 0 ADAEMN C/C(=C\C(=O)[O-])C[N@H+](C)C[C@H]1C[C@H]1C 82648959 572071722 /nfs/dbraw/zinc/07/17/22/572071722.db2.gz GGYYWZPGZBMLGU-PSVJHUJZSA-N 0 1 197.278 1.605 10 0 ADAEMN C[C@@H]1C[C@@H]1C[N@@H+](C)C/C=C/C(=O)[O-] 82649023 572071738 /nfs/dbraw/zinc/07/17/38/572071738.db2.gz HESHKSFJOUQQOE-HUGTUPKYSA-N 0 1 183.251 1.215 10 0 ADAEMN CN(C)Cc1ccsc1CO 34321005 572071754 /nfs/dbraw/zinc/07/17/54/572071754.db2.gz VDYMODJFRNGLJW-UHFFFAOYSA-N 0 1 171.265 1.302 10 0 ADAEMN CCC[C@](C)(N)C(=O)OC(C)C 36864936 572071997 /nfs/dbraw/zinc/07/19/97/572071997.db2.gz XDZBEEVBIZIPOQ-VIFPVBQESA-N 0 1 173.256 1.456 10 0 ADAEMN C[C@@H](CC(=O)[O-])[N@@H+](C)C[C@H]1C[C@H]1C 82648995 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/nfs/dbraw/zinc/16/00/19/572160019.db2.gz UNFHGYLVGLVWSX-BDAKNGLRSA-N 0 1 194.282 1.186 10 0 ADAEMN COc1cccc([C@H]2NC[C@@H](C)O2)c1 71506286 572159936 /nfs/dbraw/zinc/15/99/36/572159936.db2.gz USNLLUROTXGAHP-KCJUWKMLSA-N 0 1 193.246 1.702 10 0 ADAEMN COc1cccc([C@H]2NC[C@H](C)O2)c1 71506287 572160646 /nfs/dbraw/zinc/16/06/46/572160646.db2.gz USNLLUROTXGAHP-KWQFWETISA-N 0 1 193.246 1.702 10 0 ADAEMN COC[C@@H](C)Cc1ccnc(N)c1 69942594 572160851 /nfs/dbraw/zinc/16/08/51/572160851.db2.gz YBGBXVBJENGGRJ-QMMMGPOBSA-N 0 1 180.251 1.489 10 0 ADAEMN COc1cccc([C@@H]2N[C@@H](C)CO2)c1 71506291 572160986 /nfs/dbraw/zinc/16/09/86/572160986.db2.gz KJFGTMMGTPHDAZ-GZMMTYOYSA-N 0 1 193.246 1.702 10 0 ADAEMN COc1cccc([C@@H]2NC[C@@H](C)O2)c1 71506288 572161073 /nfs/dbraw/zinc/16/10/73/572161073.db2.gz USNLLUROTXGAHP-LDYMZIIASA-N 0 1 193.246 1.702 10 0 ADAEMN COc1cccc([C@@H]2NC[C@H](C)O2)c1 71506289 572161080 /nfs/dbraw/zinc/16/10/80/572161080.db2.gz USNLLUROTXGAHP-GZMMTYOYSA-N 0 1 193.246 1.702 10 0 ADAEMN CC(C)C[C@H](N)C(=O)c1ccccn1 71506134 572161124 /nfs/dbraw/zinc/16/11/24/572161124.db2.gz ZZANTXNRFNEMFT-VIFPVBQESA-N 0 1 192.262 1.638 10 0 ADAEMN COCCCc1ccnc(N)c1 69942559 572161309 /nfs/dbraw/zinc/16/13/09/572161309.db2.gz ZNYFWCXCHZOQDQ-UHFFFAOYSA-N 0 1 166.224 1.243 10 0 ADAEMN COCCCc1c(C)ccnc1N 69942681 572161412 /nfs/dbraw/zinc/16/14/12/572161412.db2.gz GESRGZRSIJMJAK-UHFFFAOYSA-N 0 1 180.251 1.551 10 0 ADAEMN CC(C)n1ccc(CN[C@@H]2C[C@@H]2C)n1 82866429 572161486 /nfs/dbraw/zinc/16/14/86/572161486.db2.gz QDACBZTUZIMOOI-GXSJLCMTSA-N 0 1 193.294 1.962 10 0 ADAEMN COCCCCc1ccnc(N)c1 69942557 572161532 /nfs/dbraw/zinc/16/15/32/572161532.db2.gz GLNIGYQDFCWUSS-UHFFFAOYSA-N 0 1 180.251 1.633 10 0 ADAEMN CC(C)C[C@@H](N)C(=O)c1ccccn1 71506135 572161855 /nfs/dbraw/zinc/16/18/55/572161855.db2.gz ZZANTXNRFNEMFT-SECBINFHSA-N 0 1 192.262 1.638 10 0 ADAEMN COc1cccc([C@@H]2N[C@H](C)CO2)c1 71506290 572161873 /nfs/dbraw/zinc/16/18/73/572161873.db2.gz KJFGTMMGTPHDAZ-LDYMZIIASA-N 0 1 193.246 1.702 10 0 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1.425 10 0 ADAEMN Cc1c(CN)noc1C1CC1 18595924 572163530 /nfs/dbraw/zinc/16/35/30/572163530.db2.gz FNADPNYBSGAAHK-UHFFFAOYSA-N 0 1 152.197 1.319 10 0 ADAEMN CCCc1[nH+]ccn1C/C=C/C(=O)[O-] 69963449 572163568 /nfs/dbraw/zinc/16/35/68/572163568.db2.gz ZMQICYSHOFWAMA-HWKANZROSA-N 0 1 194.234 1.476 10 0 ADAEMN CCCc1[nH+]ccn1CCC(=O)[O-] 69963410 572163586 /nfs/dbraw/zinc/16/35/86/572163586.db2.gz LPCWEWYQMOCOMY-UHFFFAOYSA-N 0 1 182.223 1.310 10 0 ADAEMN CCCc1[nH+]ccn1[C@@H](C)CC(=O)[O-] 69963416 572163635 /nfs/dbraw/zinc/16/36/35/572163635.db2.gz GZSUWVYPZMGFIG-QMMMGPOBSA-N 0 1 196.250 1.871 10 0 ADAEMN CC[NH+](CC)Cc1nc(C(=O)[O-])co1 71507698 572164068 /nfs/dbraw/zinc/16/40/68/572164068.db2.gz BATPFMNRJAESPI-UHFFFAOYSA-N 0 1 198.222 1.215 10 0 ADAEMN COC(=O)[C@H](C(C)=O)c1cccs1 71507703 572164619 /nfs/dbraw/zinc/16/46/19/572164619.db2.gz PHSAQZOBEFUNRF-MRVPVSSYSA-N 0 1 198.243 1.594 10 0 ADAEMN CCCc1[nH+]ccn1C[C@@H](C)C(=O)[O-] 69963494 572165082 /nfs/dbraw/zinc/16/50/82/572165082.db2.gz RBLQPRHLYKPSQG-MRVPVSSYSA-N 0 1 196.250 1.556 10 0 ADAEMN CSCCc1nnc(C2CC2)[nH]1 69985483 572166235 /nfs/dbraw/zinc/16/62/35/572166235.db2.gz YJASHELIWDARPT-UHFFFAOYSA-N 0 1 183.280 1.588 10 0 ADAEMN CSCCc1n[nH]c(C2CC2)n1 69985483 572166238 /nfs/dbraw/zinc/16/62/38/572166238.db2.gz YJASHELIWDARPT-UHFFFAOYSA-N 0 1 183.280 1.588 10 0 ADAEMN CCN[C@@H](c1cnn(C)c1)C(C)(C)F 686234274 572165886 /nfs/dbraw/zinc/16/58/86/572165886.db2.gz FIVOIDHBMFSTLL-VIFPVBQESA-N 0 1 199.273 1.819 10 0 ADAEMN C#CCC[C@@H](NC)C(C)(F)F 18684809 572167006 /nfs/dbraw/zinc/16/70/06/572167006.db2.gz JVEQAUNBNSMMLC-SSDOTTSWSA-N 0 1 161.195 1.643 10 0 ADAEMN CSCCc1nnc(C(C)C)[nH]1 69985462 572167249 /nfs/dbraw/zinc/16/72/49/572167249.db2.gz DOHDHOJELCYIHY-UHFFFAOYSA-N 0 1 185.296 1.834 10 0 ADAEMN CSCCc1n[nH]c(C(C)C)n1 69985462 572167252 /nfs/dbraw/zinc/16/72/52/572167252.db2.gz DOHDHOJELCYIHY-UHFFFAOYSA-N 0 1 185.296 1.834 10 0 ADAEMN CCCCCc1cc(CN)on1 69970206 572167637 /nfs/dbraw/zinc/16/76/37/572167637.db2.gz STLJIZVTATYVGQ-UHFFFAOYSA-N 0 1 168.240 1.866 10 0 ADAEMN Cc1c[nH]c(Nc2cncc(F)c2)n1 300959588 572167452 /nfs/dbraw/zinc/16/74/52/572167452.db2.gz NIURXJSPHZZEFA-UHFFFAOYSA-N 0 1 192.197 1.996 10 0 ADAEMN CSCc1nc([C@H](N)C2CC2)no1 70004781 572168268 /nfs/dbraw/zinc/16/82/68/572168268.db2.gz GOYNKDQRRIOQTO-SSDOTTSWSA-N 0 1 199.279 1.342 10 0 ADAEMN CCCc1nc(CCSC)n[nH]1 69985474 572167744 /nfs/dbraw/zinc/16/77/44/572167744.db2.gz QNXHNIYZOPMDGJ-UHFFFAOYSA-N 0 1 185.296 1.663 10 0 ADAEMN CCCc1nnc(CCSC)[nH]1 69985474 572167745 /nfs/dbraw/zinc/16/77/45/572167745.db2.gz QNXHNIYZOPMDGJ-UHFFFAOYSA-N 0 1 185.296 1.663 10 0 ADAEMN O=c1[nH]nc(C[C@H]2C[C@H]3CC[C@@H]2C3)o1 70030726 572168348 /nfs/dbraw/zinc/16/83/48/572168348.db2.gz RJNFQFGLZFMXKZ-XLPZGREQSA-N 0 1 194.234 1.342 10 0 ADAEMN CC[C@H](N)c1noc(CSC)n1 70004651 572168905 /nfs/dbraw/zinc/16/89/05/572168905.db2.gz LGFROBZSVSXINM-YFKPBYRVSA-N 0 1 187.268 1.342 10 0 ADAEMN CC[C@@H](N)c1noc(CSC)n1 70004654 572169161 /nfs/dbraw/zinc/16/91/61/572169161.db2.gz LGFROBZSVSXINM-RXMQYKEDSA-N 0 1 187.268 1.342 10 0 ADAEMN CCN[C@@H](CC1CC1)c1ncccn1 83000061 572169303 /nfs/dbraw/zinc/16/93/03/572169303.db2.gz RCNUJEAYCBJHOJ-JTQLQIEISA-N 0 1 191.278 1.927 10 0 ADAEMN CCN[C@H](CC1CC1)c1ncccn1 83000062 572169463 /nfs/dbraw/zinc/16/94/63/572169463.db2.gz RCNUJEAYCBJHOJ-SNVBAGLBSA-N 0 1 191.278 1.927 10 0 ADAEMN CN[C@H](CC1CC1)c1ncccn1 83000060 572169975 /nfs/dbraw/zinc/16/99/75/572169975.db2.gz ADYVLEXVLQGGOJ-SECBINFHSA-N 0 1 177.251 1.537 10 0 ADAEMN CN[C@@H](CC1CC1)c1ncccn1 83000059 572170210 /nfs/dbraw/zinc/17/02/10/572170210.db2.gz ADYVLEXVLQGGOJ-VIFPVBQESA-N 0 1 177.251 1.537 10 0 ADAEMN CSCc1nc([C@@H](N)C2CC2)no1 70004783 572170616 /nfs/dbraw/zinc/17/06/16/572170616.db2.gz GOYNKDQRRIOQTO-ZETCQYMHSA-N 0 1 199.279 1.342 10 0 ADAEMN O=c1[nH]nc([C@H]2C[C@H]3CC[C@@H]2C3)o1 70030413 572170641 /nfs/dbraw/zinc/17/06/41/572170641.db2.gz UUFJBYVZRHMRKN-XVMARJQXSA-N 0 1 180.207 1.267 10 0 ADAEMN 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199.294 1.463 10 0 ADAEMN CCC(=O)[C@H](C)N(C)[C@@H]1CCO[C@H]1C 251245030 572185132 /nfs/dbraw/zinc/18/51/32/572185132.db2.gz UHIXXNAKBCRKMG-LPEHRKFASA-N 0 1 199.294 1.463 10 0 ADAEMN CC(C)[N@@H+](C)[C@@H](C)CC(=O)[O-] 35751604 572185265 /nfs/dbraw/zinc/18/52/65/572185265.db2.gz AZUJVISYBPDTDK-ZETCQYMHSA-N 0 1 159.229 1.190 10 0 ADAEMN NCC(=O)CCc1cccc(Cl)c1 71507645 572185315 /nfs/dbraw/zinc/18/53/15/572185315.db2.gz AMJUEZFAKILRLU-UHFFFAOYSA-N 0 1 197.665 1.800 10 0 ADAEMN CC(=O)CCN1C[C@H](C)OC[C@H]1C 35788293 572185430 /nfs/dbraw/zinc/18/54/30/572185430.db2.gz OCWNQMFJAURSGG-SCZZXKLOSA-N 0 1 185.267 1.075 10 0 ADAEMN NCC(=O)CCc1ccccc1Cl 71507644 572185524 /nfs/dbraw/zinc/18/55/24/572185524.db2.gz LCSFWXUGLCHOBT-UHFFFAOYSA-N 0 1 197.665 1.800 10 0 ADAEMN CC(=O)CCN1C[C@@H](C)OC[C@H]1C 35788288 572185927 /nfs/dbraw/zinc/18/59/27/572185927.db2.gz OCWNQMFJAURSGG-PSASIEDQSA-N 0 1 185.267 1.075 10 0 ADAEMN CCOCC[C@H](NC)c1coc(C)n1 687791623 572186213 /nfs/dbraw/zinc/18/62/13/572186213.db2.gz 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0 1 187.283 1.828 10 0 ADAEMN CN[C@@H](C1=CCCCC1)c1cn[nH]n1 234418322 572210140 /nfs/dbraw/zinc/21/01/40/572210140.db2.gz OJJJUCSCRLKGDI-JTQLQIEISA-N 0 1 192.266 1.566 10 0 ADAEMN COC[C@H](C(C)C)N1CCC(=O)CC1 83400223 572210262 /nfs/dbraw/zinc/21/02/62/572210262.db2.gz ZJJXGSAUQJUQPH-LLVKDONJSA-N 0 1 199.294 1.322 10 0 ADAEMN CC[C@H](C)Oc1ncnc2nc[nH]c12 36459326 572210284 /nfs/dbraw/zinc/21/02/84/572210284.db2.gz HCSUTVBKDQCUSH-LURJTMIESA-N 0 1 192.222 1.530 10 0 ADAEMN CC[C@H](C1CC1)[N@@H+](C)CC(=O)[O-] 83403452 572210224 /nfs/dbraw/zinc/21/02/24/572210224.db2.gz DRNXGUHLDCPOKL-MRVPVSSYSA-N 0 1 171.240 1.191 10 0 ADAEMN CC(C)[N@@H+](CC(=O)[O-])[C@@H](C)C1CC1 83405466 572210812 /nfs/dbraw/zinc/21/08/12/572210812.db2.gz FFLJKSRCNKUYLT-QMMMGPOBSA-N 0 1 185.267 1.580 10 0 ADAEMN C[C@H](Cc1ccco1)[N@@H+](C)CC(=O)[O-] 83403536 572211049 /nfs/dbraw/zinc/21/10/49/572211049.db2.gz WLEFLMKYIZZMOW-MRVPVSSYSA-N 0 1 197.234 1.227 10 0 ADAEMN N[C@@H](C(F)F)[C@H]1CCCCS1 687712739 572211079 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197.278 1.724 10 0 ADAEMN CC(C)[N@@H+](CC(=O)[O-])[C@@H]1CC[C@H](C)C1 83405493 572211993 /nfs/dbraw/zinc/21/19/93/572211993.db2.gz UYWZUHBHVWZFAW-VHSXEESVSA-N 0 1 199.294 1.970 10 0 ADAEMN CC(C)CC[C@H](C)[N@@H+](C)CC(=O)[O-] 83403562 572212028 /nfs/dbraw/zinc/21/20/28/572212028.db2.gz GTXSUKHUUAYESA-VIFPVBQESA-N 0 1 187.283 1.828 10 0 ADAEMN CCC[C@H](C)[N@H+]1CCC[C@@H]1C(=O)[O-] 83403985 572212035 /nfs/dbraw/zinc/21/20/35/572212035.db2.gz WTBOEFPDDZKJPI-DTWKUNHWSA-N 0 1 185.267 1.724 10 0 ADAEMN CC(C)[N@@H+](CCC(=O)[O-])[C@H](C)C1CC1 83405685 572212051 /nfs/dbraw/zinc/21/20/51/572212051.db2.gz LKVDDRSBEMYHMW-SECBINFHSA-N 0 1 199.294 1.970 10 0 ADAEMN C[C@H](c1ccsc1)[N@@H+](C)CC(=O)[O-] 83403576 572212055 /nfs/dbraw/zinc/21/20/55/572212055.db2.gz GDORZCRAGAHKKN-SSDOTTSWSA-N 0 1 199.275 1.826 10 0 ADAEMN CC[C@@H]1CC[C@H]([N@@H+](C)[C@@H](C)C(=O)[O-])C1 83407046 572212064 /nfs/dbraw/zinc/21/20/64/572212064.db2.gz QISUUIDBNSIWHS-AEJSXWLSSA-N 0 1 199.294 1.970 10 0 ADAEMN CC[C@@H](C)[N@@H+](CC(=O)[O-])[C@@H](C)C1CC1 83406243 572212072 /nfs/dbraw/zinc/21/20/72/572212072.db2.gz PPRVFEFNCGWCOQ-BDAKNGLRSA-N 0 1 199.294 1.970 10 0 ADAEMN CCCC[C@H](CC)[N@@H+](C)CC(=O)[O-] 83403702 572212099 /nfs/dbraw/zinc/21/20/99/572212099.db2.gz SHNWGQBINAQJMO-VIFPVBQESA-N 0 1 187.283 1.972 10 0 ADAEMN CCC[C@H](C)[N@H+](CC(=O)[O-])CC1CC1 83405113 572212143 /nfs/dbraw/zinc/21/21/43/572212143.db2.gz LWABFWMZOWUHBI-VIFPVBQESA-N 0 1 199.294 1.972 10 0 ADAEMN CC(C)[N@@H+](CC(=O)[O-])CC(C)(C)C 83405566 572212206 /nfs/dbraw/zinc/21/22/06/572212206.db2.gz FDHZBPRKWZWWFP-UHFFFAOYSA-N 0 1 187.283 1.828 10 0 ADAEMN CC[C@H](C)[C@@H](C)[N@@H+](C)[C@@H](C)C(=O)[O-] 83406635 572212224 /nfs/dbraw/zinc/21/22/24/572212224.db2.gz DZBJHBZMBBQMPY-YIZRAAEISA-N 0 1 187.283 1.826 10 0 ADAEMN CC[C@H]1CC[C@@H]([N@@H+](C)CC(=O)[O-])C1 83403722 572212274 /nfs/dbraw/zinc/21/22/74/572212274.db2.gz IYMKNCHGKFYUHM-DTWKUNHWSA-N 0 1 185.267 1.582 10 0 ADAEMN N[C@H](C(F)F)[C@@H]1CCCCS1 687712741 572212293 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572212634 /nfs/dbraw/zinc/21/26/34/572212634.db2.gz SDLYTCCTTSWTQK-IONNQARKSA-N 0 1 185.267 1.580 10 0 ADAEMN CC(C)[N@@H+](CC(=O)[O-])[C@H]1CCC[C@H]1C 83405630 572212644 /nfs/dbraw/zinc/21/26/44/572212644.db2.gz QZCCXPPHMSAXDU-ZJUUUORDSA-N 0 1 199.294 1.970 10 0 ADAEMN CCC[C@@H](C)[N@H+](CC(=O)[O-])CC1CC1 83405110 572212794 /nfs/dbraw/zinc/21/27/94/572212794.db2.gz LWABFWMZOWUHBI-SECBINFHSA-N 0 1 199.294 1.972 10 0 ADAEMN CC[C@H](C1CC1)[N@@H+](CC(=O)[O-])C(C)C 83405411 572212827 /nfs/dbraw/zinc/21/28/27/572212827.db2.gz FVIIKWZBQQTEQD-SNVBAGLBSA-N 0 1 199.294 1.970 10 0 ADAEMN C[C@@H](C1CC1)[N@H+](CC(=O)[O-])CC1CC1 83405039 572212842 /nfs/dbraw/zinc/21/28/42/572212842.db2.gz KDBSMPVJMIKYQV-QMMMGPOBSA-N 0 1 197.278 1.582 10 0 ADAEMN CCC[C@@H](C)[N@@H+](CC(=O)[O-])C(C)C 83405605 572212852 /nfs/dbraw/zinc/21/28/52/572212852.db2.gz ZPJWTBJRSSWCGP-SECBINFHSA-N 0 1 187.283 1.970 10 0 ADAEMN CC[C@H](C)[C@H](C)[N@H+]1CCC[C@@H]1C(=O)[O-] 83403731 572212907 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191.209 1.843 10 0 ADAEMN CN(C)C(C)(C)[C@H](N)C(F)(F)F 687797771 572230597 /nfs/dbraw/zinc/23/05/97/572230597.db2.gz VDMFDUSZHNTFAV-YFKPBYRVSA-N 0 1 184.205 1.216 10 0 ADAEMN CCCCCc1nc(C)n[nH]1 36960775 572230983 /nfs/dbraw/zinc/23/09/83/572230983.db2.gz HEBWBNOOUAHHAC-UHFFFAOYSA-N 0 1 153.229 1.846 10 0 ADAEMN C[N@@H+](/C=C\C(=O)[O-])Cc1cncs1 400110832 572231172 /nfs/dbraw/zinc/23/11/72/572231172.db2.gz KCEHVDJHBHKHGC-IHWYPQMZSA-N 0 1 198.247 1.173 10 0 ADAEMN C[N@H+](/C=C\C(=O)[O-])Cc1cncs1 400110832 572231175 /nfs/dbraw/zinc/23/11/75/572231175.db2.gz KCEHVDJHBHKHGC-IHWYPQMZSA-N 0 1 198.247 1.173 10 0 ADAEMN C[N@@H+](/C=C/C(=O)[O-])Cc1cncs1 400110835 572231523 /nfs/dbraw/zinc/23/15/23/572231523.db2.gz KCEHVDJHBHKHGC-NSCUHMNNSA-N 0 1 198.247 1.173 10 0 ADAEMN C[N@H+](/C=C/C(=O)[O-])Cc1cncs1 400110835 572231528 /nfs/dbraw/zinc/23/15/28/572231528.db2.gz KCEHVDJHBHKHGC-NSCUHMNNSA-N 0 1 198.247 1.173 10 0 ADAEMN CN(C)C(C)(C)[C@@H](N)C(F)(F)F 687797770 572231681 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/nfs/dbraw/zinc/33/85/98/572338598.db2.gz JLOPDYPAAMGDIL-VIFPVBQESA-N 0 1 195.218 1.500 10 0 ADAEMN CCC[N@@H+](C)CCNC(=S)[S-] 238213078 572338987 /nfs/dbraw/zinc/33/89/87/572338987.db2.gz CSOSYUUTBFXTQJ-UHFFFAOYSA-N 0 1 192.353 1.133 10 0 ADAEMN CCC[N@H+]1CCC[C@H](C(=O)[O-])[C@@H]1CC 238216046 572339932 /nfs/dbraw/zinc/33/99/32/572339932.db2.gz FRKZBTBZEWGCJH-UWVGGRQHSA-N 0 1 199.294 1.972 10 0 ADAEMN C[C@@H]1C[C@H]1NCc1ncc(Cl)n1C 52287545 572340491 /nfs/dbraw/zinc/34/04/91/572340491.db2.gz XRAFCBPKEOCQPB-RNFRBKRXSA-N 0 1 199.685 1.572 10 0 ADAEMN CCc1nnsc1CNC1CC1 83581517 572340740 /nfs/dbraw/zinc/34/07/40/572340740.db2.gz GPNZWEQZJHBSLP-UHFFFAOYSA-N 0 1 183.280 1.353 10 0 ADAEMN CCN(CC)C(=N)c1ccn(C)n1 83574919 572341165 /nfs/dbraw/zinc/34/11/65/572341165.db2.gz YLNJQJDHOSVQSJ-UHFFFAOYSA-N 0 1 180.255 1.087 10 0 ADAEMN CCCc1nnsc1CNC1CC1 83581522 572341195 /nfs/dbraw/zinc/34/11/95/572341195.db2.gz AAFZKFZVKPVAIS-UHFFFAOYSA-N 0 1 197.307 1.743 10 0 ADAEMN C[C@H]1C[C@H]1NCc1ncc(Cl)n1C 52287548 572341702 /nfs/dbraw/zinc/34/17/02/572341702.db2.gz XRAFCBPKEOCQPB-NKWVEPMBSA-N 0 1 199.685 1.572 10 0 ADAEMN NCc1ncc2ccc3ccccc3n12 238639939 572342166 /nfs/dbraw/zinc/34/21/66/572342166.db2.gz IRZDPSJQTHTZPW-UHFFFAOYSA-N 0 1 197.241 1.946 10 0 ADAEMN CCC[N@H+]1CCC[C@@H](C(=O)[O-])[C@@H]1CC 238215680 572342278 /nfs/dbraw/zinc/34/22/78/572342278.db2.gz FRKZBTBZEWGCJH-ZJUUUORDSA-N 0 1 199.294 1.972 10 0 ADAEMN C[C@H]1C[C@@H]1NCc1ncc(Cl)n1C 52287542 572342552 /nfs/dbraw/zinc/34/25/52/572342552.db2.gz XRAFCBPKEOCQPB-BQBZGAKWSA-N 0 1 199.685 1.572 10 0 ADAEMN C[C@@H]1C[C@@H]1NCc1ncc(Cl)n1C 52287541 572342601 /nfs/dbraw/zinc/34/26/01/572342601.db2.gz XRAFCBPKEOCQPB-RQJHMYQMSA-N 0 1 199.685 1.572 10 0 ADAEMN CC(C)c1nnsc1CNC1CC1 83577207 572342650 /nfs/dbraw/zinc/34/26/50/572342650.db2.gz ITCWIICZAMIFKE-UHFFFAOYSA-N 0 1 197.307 1.914 10 0 ADAEMN C(NC1CC1)c1snnc1C1CC1 83583093 572342673 /nfs/dbraw/zinc/34/26/73/572342673.db2.gz QSKAWCCCTZIGPI-UHFFFAOYSA-N 0 1 195.291 1.668 10 0 ADAEMN 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CCC[C@H](C)C[C@H](O)c1nnc[nH]1 83746032 572386419 /nfs/dbraw/zinc/38/64/19/572386419.db2.gz AVZUVVDLZJWZBS-YUMQZZPRSA-N 0 1 183.255 1.664 10 0 ADAEMN CC(C)(C)CC[C@H](O)c1nnc[nH]1 83745991 572384071 /nfs/dbraw/zinc/38/40/71/572384071.db2.gz RVQYIYDOQMTJSP-ZETCQYMHSA-N 0 1 183.255 1.664 10 0 ADAEMN CCC[C@H](C)CN1CCCNCC1=O 83747631 572384095 /nfs/dbraw/zinc/38/40/95/572384095.db2.gz HROZOZDBDOPGAK-JTQLQIEISA-N 0 1 198.310 1.245 10 0 ADAEMN CCC(CC)n1ncnc1CN 87173891 572384153 /nfs/dbraw/zinc/38/41/53/572384153.db2.gz HTHICKHEQFAXGT-UHFFFAOYSA-N 0 1 168.244 1.098 10 0 ADAEMN [NH3+]CCCc1cc(F)c([O-])c(F)c1 44281408 572384322 /nfs/dbraw/zinc/38/43/22/572384322.db2.gz VKXXCKNPQNBUNA-UHFFFAOYSA-N 0 1 187.189 1.562 10 0 ADAEMN CCCCC[C@@H](O)c1nnc[nH]1 83745848 572384333 /nfs/dbraw/zinc/38/43/33/572384333.db2.gz BVZGCFKXXCLCEA-SSDOTTSWSA-N 0 1 169.228 1.418 10 0 ADAEMN CC(C)CC[C@@H]1NCCCC1=O 76597756 572384456 /nfs/dbraw/zinc/38/44/56/572384456.db2.gz CSFXEAZJWONXNT-VIFPVBQESA-N 0 1 169.268 1.744 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572389142 /nfs/dbraw/zinc/38/91/42/572389142.db2.gz SXTGYYGWRKSWQX-UHFFFAOYSA-N 0 1 184.175 1.254 10 0 ADAEMN CCCCC(=O)[C@@H](C)N(C)C 238226580 572389392 /nfs/dbraw/zinc/38/93/92/572389392.db2.gz KSSGYRRPRLIRNM-MRVPVSSYSA-N 0 1 157.257 1.696 10 0 ADAEMN NCC(=O)C[C@H]1CCCCS1 76599973 572389703 /nfs/dbraw/zinc/38/97/03/572389703.db2.gz FZLPFFFBTLMVIE-MRVPVSSYSA-N 0 1 173.281 1.190 10 0 ADAEMN CCc1ccc(CNC2COC2)cc1 87194940 572390255 /nfs/dbraw/zinc/39/02/55/572390255.db2.gz AHAWOHFIJKGLJT-UHFFFAOYSA-N 0 1 191.274 1.737 10 0 ADAEMN NCC(=O)C[C@H]1CCCSC1 76599987 572389762 /nfs/dbraw/zinc/38/97/62/572389762.db2.gz QRHJIZCBMCHVHW-SSDOTTSWSA-N 0 1 173.281 1.048 10 0 ADAEMN CCc1ccc(CNC2COC2)s1 87194969 572390848 /nfs/dbraw/zinc/39/08/48/572390848.db2.gz YPCWTEXRTIJOQN-UHFFFAOYSA-N 0 1 197.303 1.799 10 0 ADAEMN CCCn1ccc(CNC2COC2)c1 87195009 572390865 /nfs/dbraw/zinc/39/08/65/572390865.db2.gz DCSIYNGFCHUKBK-UHFFFAOYSA-N 0 1 194.278 1.387 10 0 ADAEMN CC(C)C[C@H](C[N@H+]1CC[C@H]1C)C(=O)[O-] 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197.234 1.746 10 0 ADAEMN CNC(=O)[C@@H](C)N[C@@H](C)c1ccoc1 87290008 572417211 /nfs/dbraw/zinc/41/72/11/572417211.db2.gz KVAAHUIESLUUJH-JGVFFNPUSA-N 0 1 196.250 1.065 10 0 ADAEMN CCOC(=O)C=C(O)[C@H]1CC[C@H](C)C1 83789522 572417266 /nfs/dbraw/zinc/41/72/66/572417266.db2.gz LVHXRPSRNLFTTA-IUCAKERBSA-N 0 1 198.262 1.945 10 0 ADAEMN C[C@]1(N)CCc2ccccc2C1=O 53045035 572417344 /nfs/dbraw/zinc/41/73/44/572417344.db2.gz ODKHCPYRDFYCGY-NSHDSACASA-N 0 1 175.231 1.533 10 0 ADAEMN CC(C)[C@H]1[C@H](C(=O)[O-])CC[N@H+]1C(C)C 714412338 572417583 /nfs/dbraw/zinc/41/75/83/572417583.db2.gz QIIRNENIMKVHTF-ZJUUUORDSA-N 0 1 199.294 1.826 10 0 ADAEMN CC[N@H+]1CCC[C@](C)(CCC(=O)[O-])C1 238237088 572417637 /nfs/dbraw/zinc/41/76/37/572417637.db2.gz ZADDDILTMDREQD-LLVKDONJSA-N 0 1 199.294 1.973 10 0 ADAEMN C[C@H](c1ccoc1)[N@H+](C)CC(=O)[O-] 87307811 572417660 /nfs/dbraw/zinc/41/76/60/572417660.db2.gz VGAFCPJWXXPLTO-SSDOTTSWSA-N 0 1 183.207 1.357 10 0 ADAEMN C[C@H](c1ccoc1)[N@@H+](C)CC(=O)[O-] 87307811 572417663 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C[N@H+]1CC[C@H](C(=O)[O-])[C@@H](C2CC2)C1 250594515 572486448 /nfs/dbraw/zinc/48/64/48/572486448.db2.gz IGUFOESRRUBION-DTWKUNHWSA-N 0 1 183.251 1.049 10 0 ADAEMN Cc1cn(C)c(N[C@H]2CCCOC2)n1 235939661 572486450 /nfs/dbraw/zinc/48/64/50/572486450.db2.gz INIFJNVADWDHTK-VIFPVBQESA-N 0 1 195.266 1.319 10 0 ADAEMN C[N@H+]1C[C@@H](C(=O)[O-])C[C@H]1C1CCCC1 250588472 572486480 /nfs/dbraw/zinc/48/64/80/572486480.db2.gz HAOKARLJCLDWCV-UWVGGRQHSA-N 0 1 197.278 1.582 10 0 ADAEMN C[N@H+]1CC[C@@H](C(=O)[O-])[C@@H](C2CC2)C1 250594517 572486578 /nfs/dbraw/zinc/48/65/78/572486578.db2.gz IGUFOESRRUBION-RKDXNWHRSA-N 0 1 183.251 1.049 10 0 ADAEMN C[N@H+]1C[C@H](C(=O)[O-])C[C@H]1C1CCCC1 250588474 572486952 /nfs/dbraw/zinc/48/69/52/572486952.db2.gz HAOKARLJCLDWCV-ZJUUUORDSA-N 0 1 197.278 1.582 10 0 ADAEMN CCOCCCc1ocnc1CNC 87439461 572486971 /nfs/dbraw/zinc/48/69/71/572486971.db2.gz KZZGXOYEIVNCRR-UHFFFAOYSA-N 0 1 198.266 1.363 10 0 ADAEMN C[N@H+]1CC[C@@H](C2CCC2)[C@@H](C(=O)[O-])C1 250600473 572489228 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ADAEMN CCNCc1ncoc1CCCOC 87439462 572487558 /nfs/dbraw/zinc/48/75/58/572487558.db2.gz JFEJGOGOCSIVFH-UHFFFAOYSA-N 0 1 198.266 1.363 10 0 ADAEMN CCCCCC[C@H]([NH3+])[P@H](=O)[O-] 307771714 572487564 /nfs/dbraw/zinc/48/75/64/572487564.db2.gz IQSJGMQNSTUAGX-SSDOTTSWSA-N 0 1 179.200 1.709 10 0 ADAEMN C[N@H+]1CC[C@@H]2C[C@@H](C(=O)[O-])C[C@@H]2CC1 250631933 572487586 /nfs/dbraw/zinc/48/75/86/572487586.db2.gz RIGGYDZSROXADL-ILWJIGKKSA-N 0 1 197.278 1.439 10 0 ADAEMN CCOCCCc1ocnc1CN 87439453 572487645 /nfs/dbraw/zinc/48/76/45/572487645.db2.gz SDULGVFDVVSKLQ-UHFFFAOYSA-N 0 1 184.239 1.102 10 0 ADAEMN COC[C@@H]1CCCC[N@H+]1[C@H](C)C(C)=O 307772302 572487687 /nfs/dbraw/zinc/48/76/87/572487687.db2.gz VLBOETQKRMLEOW-KOLCDFICSA-N 0 1 199.294 1.465 10 0 ADAEMN COC[C@@H]1CCCCN1[C@H](C)C(C)=O 307772302 572487693 /nfs/dbraw/zinc/48/76/93/572487693.db2.gz VLBOETQKRMLEOW-KOLCDFICSA-N 0 1 199.294 1.465 10 0 ADAEMN CCCCCC[C@@H]([NH3+])[P@H](=O)[O-] 307771716 572487800 /nfs/dbraw/zinc/48/78/00/572487800.db2.gz IQSJGMQNSTUAGX-ZETCQYMHSA-N 0 1 179.200 1.709 10 0 ADAEMN Cc1cn(C)c(Nc2cn[nH]c2)n1 235941481 572487903 /nfs/dbraw/zinc/48/79/03/572487903.db2.gz FIHKWURQUMFLRK-UHFFFAOYSA-N 0 1 177.211 1.195 10 0 ADAEMN C[N@H+]1CC[C@H](C2CCCC2)[C@H]1C(=O)[O-] 250591500 572487918 /nfs/dbraw/zinc/48/79/18/572487918.db2.gz HNKKDNZESOVKFS-ZJUUUORDSA-N 0 1 197.278 1.582 10 0 ADAEMN COC[C@@H]1CCCC[N@H+]1[C@@H](C)C(C)=O 307772308 572487937 /nfs/dbraw/zinc/48/79/37/572487937.db2.gz VLBOETQKRMLEOW-ONGXEEELSA-N 0 1 199.294 1.465 10 0 ADAEMN COC[C@@H]1CCCCN1[C@@H](C)C(C)=O 307772308 572487939 /nfs/dbraw/zinc/48/79/39/572487939.db2.gz VLBOETQKRMLEOW-ONGXEEELSA-N 0 1 199.294 1.465 10 0 ADAEMN C[N@H+]1CC[C@]2(C[C@H]2CCC(=O)[O-])C1 250631269 572487959 /nfs/dbraw/zinc/48/79/59/572487959.db2.gz RECSBCJBHRXDOF-SCZZXKLOSA-N 0 1 183.251 1.193 10 0 ADAEMN C[N@H+]1C[C@H](C(=O)[O-])C[C@@H]2CCC[C@@H]21 250587447 572487980 /nfs/dbraw/zinc/48/79/80/572487980.db2.gz GUUUTBMJWIIBMD-YIZRAAEISA-N 0 1 183.251 1.191 10 0 ADAEMN 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1 168.240 1.648 10 0 ADAEMN Cc1nc(CN[C@@H]2CC[C@@H]2C)n(C)n1 689541137 572573585 /nfs/dbraw/zinc/57/35/85/572573585.db2.gz WRSPHFIQMJCWCL-IONNQARKSA-N 0 1 194.282 1.012 10 0 ADAEMN C[C@H](C(=O)[O-])[C@H]1CCC[N@H+]2CCC[C@@H]12 251439124 572573752 /nfs/dbraw/zinc/57/37/52/572573752.db2.gz ANLPSWQXXLJVEL-AEJSXWLSSA-N 0 1 197.278 1.582 10 0 ADAEMN C[C@@H]1COCCN1C[C@@H]1CCCC1=O 53926979 572573763 /nfs/dbraw/zinc/57/37/63/572573763.db2.gz ARFWOXMNEOXNIT-ZJUUUORDSA-N 0 1 197.278 1.076 10 0 ADAEMN COC(=O)[C@@]1(C)CCCCN1C 207066728 572573822 /nfs/dbraw/zinc/57/38/22/572573822.db2.gz OMKRLAXSCIVJLF-SECBINFHSA-N 0 1 171.240 1.034 10 0 ADAEMN CC(C)[C@@H]1CC[N@@H+](C)C[C@H]1C(=O)[O-] 251385647 572573832 /nfs/dbraw/zinc/57/38/32/572573832.db2.gz IOPNXMLEZOBBIN-DTWKUNHWSA-N 0 1 185.267 1.295 10 0 ADAEMN C[C@@H]1CN(C[C@@H]2CCCC2=O)CCO1 53925260 572573886 /nfs/dbraw/zinc/57/38/86/572573886.db2.gz UUESFYKLARSDRM-ZJUUUORDSA-N 0 1 197.278 1.076 10 0 ADAEMN C[C@@H]1CC[N@@H+](C[C@H](C(=O)[O-])C2CC2)C1 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C[C@@H]1CCc2nc(C(=O)[O-])[nH]c2C1 74304025 572602094 /nfs/dbraw/zinc/60/20/94/572602094.db2.gz CVLLKWAIUOHPNO-RXMQYKEDSA-N 0 1 180.207 1.233 10 0 ADAEMN CCC[C@H]([NH3+])c1nc2oncc2[n-]1 74303748 572602437 /nfs/dbraw/zinc/60/24/37/572602437.db2.gz DCJJPSJUMWKZSP-YFKPBYRVSA-N 0 1 180.211 1.351 10 0 ADAEMN CCn1c(C2CC2)nnc1[C@H](C)N 74303095 572602597 /nfs/dbraw/zinc/60/25/97/572602597.db2.gz ILQXKBSJHPMMDJ-LURJTMIESA-N 0 1 180.255 1.195 10 0 ADAEMN CCc1nc2c([nH]1)C[C@H](CO)CC2 74303333 572602730 /nfs/dbraw/zinc/60/27/30/572602730.db2.gz YEMIWDQPYUEWOP-SSDOTTSWSA-N 0 1 180.251 1.069 10 0 ADAEMN CCc1nc2c([nH]1)CC[C@@H](CO)C2 74303333 572602734 /nfs/dbraw/zinc/60/27/34/572602734.db2.gz YEMIWDQPYUEWOP-SSDOTTSWSA-N 0 1 180.251 1.069 10 0 ADAEMN Cc1cc(C(=O)C(C)(C)N)c(C)[nH]1 74303475 572602848 /nfs/dbraw/zinc/60/28/48/572602848.db2.gz GKWJGZOPLHYIKR-UHFFFAOYSA-N 0 1 180.251 1.552 10 0 ADAEMN CNc1cc(Cl)c2nc(C)[nH]c2n1 115134545 572603223 /nfs/dbraw/zinc/60/32/23/572603223.db2.gz OQOJQXUEZDLLFE-UHFFFAOYSA-N 0 1 196.641 1.961 10 0 ADAEMN Cc1cc2c(o1)[C@@H](N)CCC(=O)N2 74303980 572603385 /nfs/dbraw/zinc/60/33/85/572603385.db2.gz QAPGMBQNJHDPRH-LURJTMIESA-N 0 1 180.207 1.320 10 0 ADAEMN CCc1nc2c([nH]1)C[C@@H](CO)CC2 74303332 572603517 /nfs/dbraw/zinc/60/35/17/572603517.db2.gz YEMIWDQPYUEWOP-ZETCQYMHSA-N 0 1 180.251 1.069 10 0 ADAEMN CCc1nc2c([nH]1)CC[C@H](CO)C2 74303332 572603520 /nfs/dbraw/zinc/60/35/20/572603520.db2.gz YEMIWDQPYUEWOP-ZETCQYMHSA-N 0 1 180.251 1.069 10 0 ADAEMN C[C@H]1CCc2nc(C(=O)[O-])[nH]c2C1 74304027 572603623 /nfs/dbraw/zinc/60/36/23/572603623.db2.gz CVLLKWAIUOHPNO-YFKPBYRVSA-N 0 1 180.207 1.233 10 0 ADAEMN C[C@@H](N)c1nc2ccnnc2s1 74303549 572604001 /nfs/dbraw/zinc/60/40/01/572604001.db2.gz AYWUNWAJBWKKSU-SCSAIBSYSA-N 0 1 180.236 1.106 10 0 ADAEMN COc1ccc(F)c2c1C(=O)CO2 714105376 572604274 /nfs/dbraw/zinc/60/42/74/572604274.db2.gz JMPOZVWEJPPKOC-UHFFFAOYSA-N 0 1 182.150 1.409 10 0 ADAEMN CC(C)CC[C@H](N)c1nccnn1 74303169 572604629 /nfs/dbraw/zinc/60/46/29/572604629.db2.gz TXRSTASGTNXTHM-QMMMGPOBSA-N 0 1 180.255 1.308 10 0 ADAEMN COC[C@H](C)N1CCCC[C@@H]1C(C)=O 69902128 572604674 /nfs/dbraw/zinc/60/46/74/572604674.db2.gz NRNLFUZLYPQCDI-GXSJLCMTSA-N 0 1 199.294 1.465 10 0 ADAEMN CCCCC[C@@H]([NH3+])C[P@](=O)([O-])O 115140639 572604838 /nfs/dbraw/zinc/60/48/38/572604838.db2.gz AXNUTLSYKFISGR-SSDOTTSWSA-N 0 1 195.199 1.072 10 0 ADAEMN CCNCc1cc(C(C)(C)OC)on1 300975765 572605534 /nfs/dbraw/zinc/60/55/34/572605534.db2.gz JULPKNFTHZFICF-UHFFFAOYSA-N 0 1 198.266 1.666 10 0 ADAEMN CN(C)CC(=O)C[C@@H]1CC[C@@H]2C[C@@H]2C1 403611451 572605584 /nfs/dbraw/zinc/60/55/84/572605584.db2.gz IUOQDIAVMGVGBE-MXWKQRLJSA-N 0 1 195.306 1.943 10 0 ADAEMN N[C@@H](CC(F)(F)F)c1ccno1 74304296 572605611 /nfs/dbraw/zinc/60/56/11/572605611.db2.gz LXTUZZZZNVQALJ-BYPYZUCNSA-N 0 1 180.129 1.627 10 0 ADAEMN C[C@H](N)c1nc2ncccc2s1 74304848 572605927 /nfs/dbraw/zinc/60/59/27/572605927.db2.gz COQSSGCTFRKDEL-YFKPBYRVSA-N 0 1 179.248 1.711 10 0 ADAEMN N[C@@H](CC(F)(F)F)c1cnco1 74304305 572605976 /nfs/dbraw/zinc/60/59/76/572605976.db2.gz XGKLEDJVEUOKBL-BYPYZUCNSA-N 0 1 180.129 1.627 10 0 ADAEMN NCc1nc2cccc(N)c2s1 74304853 572606341 /nfs/dbraw/zinc/60/63/41/572606341.db2.gz DGUXPXXOBXPYDY-UHFFFAOYSA-N 0 1 179.248 1.337 10 0 ADAEMN N[C@H](CC(F)(F)F)c1ccno1 74304295 572606551 /nfs/dbraw/zinc/60/65/51/572606551.db2.gz LXTUZZZZNVQALJ-SCSAIBSYSA-N 0 1 180.129 1.627 10 0 ADAEMN N[C@H](CC(F)(F)F)c1cocn1 74304301 572606681 /nfs/dbraw/zinc/60/66/81/572606681.db2.gz LZKROSLTSJQQRO-SCSAIBSYSA-N 0 1 180.129 1.627 10 0 ADAEMN N[C@H](CC(F)(F)F)c1cnco1 74304304 572606689 /nfs/dbraw/zinc/60/66/89/572606689.db2.gz XGKLEDJVEUOKBL-SCSAIBSYSA-N 0 1 180.129 1.627 10 0 ADAEMN C[C@@H](N)c1nc2ncccc2s1 74304850 572606812 /nfs/dbraw/zinc/60/68/12/572606812.db2.gz COQSSGCTFRKDEL-RXMQYKEDSA-N 0 1 179.248 1.711 10 0 ADAEMN CCC[C@@H](N)c1nc2c[nH][nH]c-2n1 74304945 572607062 /nfs/dbraw/zinc/60/70/62/572607062.db2.gz TWDOSKGSQLXYTK-RXMQYKEDSA-N 0 1 179.227 1.086 10 0 ADAEMN N[C@@H](CC(F)(F)F)c1cocn1 74304303 572607165 /nfs/dbraw/zinc/60/71/65/572607165.db2.gz LZKROSLTSJQQRO-BYPYZUCNSA-N 0 1 180.129 1.627 10 0 ADAEMN COP(=O)(CNCC(C)C)OC 238356834 572607316 /nfs/dbraw/zinc/60/73/16/572607316.db2.gz IFFDZHFNZIOKJE-UHFFFAOYSA-N 0 1 195.199 1.675 10 0 ADAEMN N[C@@H](CC(F)(F)F)c1ncc[nH]1 74305634 572607671 /nfs/dbraw/zinc/60/76/71/572607671.db2.gz KXUUVWGZPTWRJJ-BYPYZUCNSA-N 0 1 179.145 1.362 10 0 ADAEMN CCOc1ccc(F)c2c1OCC2=O 714105816 572607804 /nfs/dbraw/zinc/60/78/04/572607804.db2.gz QRXUIKOLKOMPNN-UHFFFAOYSA-N 0 1 196.177 1.800 10 0 ADAEMN N[C@H](CC(F)(F)F)c1ncc[nH]1 74305632 572608348 /nfs/dbraw/zinc/60/83/48/572608348.db2.gz KXUUVWGZPTWRJJ-SCSAIBSYSA-N 0 1 179.145 1.362 10 0 ADAEMN C[C@H](N)c1ncc(C2CCC2)nn1 74305950 572609150 /nfs/dbraw/zinc/60/91/50/572609150.db2.gz IVGKYYRRSUPLBA-LURJTMIESA-N 0 1 178.239 1.159 10 0 ADAEMN CCc1cccc2[nH]c(N)[nH+]c12 140707107 572609249 /nfs/dbraw/zinc/60/92/49/572609249.db2.gz UMHPHSIDQFQSSH-UHFFFAOYSA-N 0 1 161.208 1.708 10 0 ADAEMN O=Cc1ccc(CN2CCCC2)[nH]1 74306082 572609370 /nfs/dbraw/zinc/60/93/70/572609370.db2.gz JIGPPBIGBSBJMA-UHFFFAOYSA-N 0 1 178.235 1.423 10 0 ADAEMN O=Cc1cc[nH]c1CN1CCCC1 74306079 572610064 /nfs/dbraw/zinc/61/00/64/572610064.db2.gz FVPZKYDPRFKHFQ-UHFFFAOYSA-N 0 1 178.235 1.423 10 0 ADAEMN C[C@@H](N)c1ncc(C2CCC2)nn1 74305952 572610189 /nfs/dbraw/zinc/61/01/89/572610189.db2.gz IVGKYYRRSUPLBA-ZCFIWIBFSA-N 0 1 178.239 1.159 10 0 ADAEMN C[C@H]1CN(C)Cc2c1c[nH]c2C=O 74306092 572611032 /nfs/dbraw/zinc/61/10/32/572611032.db2.gz YVIAQSYDOKZMRZ-ZETCQYMHSA-N 0 1 178.235 1.376 10 0 ADAEMN Cc1nc(C2(N)CC=CC2)oc1C 74306173 572610836 /nfs/dbraw/zinc/61/08/36/572610836.db2.gz KSLXRLFPHSNWMR-UHFFFAOYSA-N 0 1 178.235 1.795 10 0 ADAEMN COC[C@@H]([NH3+])c1c[nH]cc2ccnc1-2 713728870 572610902 /nfs/dbraw/zinc/61/09/02/572610902.db2.gz MTQRZGTXVMFXET-SECBINFHSA-N 0 1 191.234 1.209 10 0 ADAEMN CC(=O)[C@@H](N)Cc1ccccc1C 74307048 572611756 /nfs/dbraw/zinc/61/17/56/572611756.db2.gz BSUREVVRQIQMQH-NSHDSACASA-N 0 1 177.247 1.454 10 0 ADAEMN Nc1ncccc1[C@@H](N)c1ccoc1 69946547 572612028 /nfs/dbraw/zinc/61/20/28/572612028.db2.gz WIXPWPURAZOBBE-VIFPVBQESA-N 0 1 189.218 1.305 10 0 ADAEMN C[C@H](C(=O)[O-])[C@@H]1C[C@H]2CCCC[N@H+]2C1 251700789 572612080 /nfs/dbraw/zinc/61/20/80/572612080.db2.gz XIBCPHAVUPKEMO-IVZWLZJFSA-N 0 1 197.278 1.582 10 0 ADAEMN N[C@H](Cc1cocn1)c1ccco1 74306474 572612579 /nfs/dbraw/zinc/61/25/79/572612579.db2.gz LCJIXBKFXOKIBU-MRVPVSSYSA-N 0 1 178.191 1.510 10 0 ADAEMN N[C@H](Cc1c[nH]cn1)c1ccco1 74307363 572612712 /nfs/dbraw/zinc/61/27/12/572612712.db2.gz KUZHYDDUCLHHNI-MRVPVSSYSA-N 0 1 177.207 1.245 10 0 ADAEMN N[C@@H](Cc1cocn1)c1ccco1 74306476 572612803 /nfs/dbraw/zinc/61/28/03/572612803.db2.gz LCJIXBKFXOKIBU-QMMMGPOBSA-N 0 1 178.191 1.510 10 0 ADAEMN C[C@@H]1CCCCC[N@H+]1C/C=C/C(=O)[O-] 69945240 572612879 /nfs/dbraw/zinc/61/28/79/572612879.db2.gz RKHKXIGRVVGCGA-BREXMAIKSA-N 0 1 197.278 1.892 10 0 ADAEMN CC(=O)[C@@H](N)Cc1ccc(C)cc1 74307099 572613008 /nfs/dbraw/zinc/61/30/08/572613008.db2.gz NHHJXBCRHDNKTA-NSHDSACASA-N 0 1 177.247 1.454 10 0 ADAEMN COCCc1cc(C)cnc1N 69943210 572613048 /nfs/dbraw/zinc/61/30/48/572613048.db2.gz ZGCPJFSEOOFUIF-UHFFFAOYSA-N 0 1 166.224 1.161 10 0 ADAEMN N[C@@H](Cc1cn[nH]c1)c1ccco1 74307355 572613065 /nfs/dbraw/zinc/61/30/65/572613065.db2.gz FJFMGFNZILSVQV-QMMMGPOBSA-N 0 1 177.207 1.245 10 0 ADAEMN N[C@@H](Cc1ccco1)c1ccon1 74306471 572613141 /nfs/dbraw/zinc/61/31/41/572613141.db2.gz ZNSGYIZRKVBECN-QMMMGPOBSA-N 0 1 178.191 1.510 10 0 ADAEMN N[C@H](Cc1ccco1)c1cocn1 74306480 572613168 /nfs/dbraw/zinc/61/31/68/572613168.db2.gz ASHDYVNBOABMDJ-MRVPVSSYSA-N 0 1 178.191 1.510 10 0 ADAEMN C[C@H](N)c1nccc(CC2CC2)n1 74306870 572613209 /nfs/dbraw/zinc/61/32/09/572613209.db2.gz GJRAYICAWCJBFQ-ZETCQYMHSA-N 0 1 177.251 1.449 10 0 ADAEMN N[C@H](Cc1ccco1)c1ccon1 74306473 572613220 /nfs/dbraw/zinc/61/32/20/572613220.db2.gz ZNSGYIZRKVBECN-MRVPVSSYSA-N 0 1 178.191 1.510 10 0 ADAEMN CC(=O)[C@H](N)Cc1ccccc1C 74307050 572613387 /nfs/dbraw/zinc/61/33/87/572613387.db2.gz BSUREVVRQIQMQH-LLVKDONJSA-N 0 1 177.247 1.454 10 0 ADAEMN N[C@H](Cc1cn[nH]c1)c1ccco1 74307353 572613464 /nfs/dbraw/zinc/61/34/64/572613464.db2.gz FJFMGFNZILSVQV-MRVPVSSYSA-N 0 1 177.207 1.245 10 0 ADAEMN CC[C@@H]1[C@@H](C)C[C@@H](C(=O)[O-])[N@H+]1C 251703972 572613506 /nfs/dbraw/zinc/61/35/06/572613506.db2.gz QURUQUPHONVUCD-RNJXMRFFSA-N 0 1 171.240 1.190 10 0 ADAEMN Cc1ccnc(N)c1C1CCOCC1 69942712 572613769 /nfs/dbraw/zinc/61/37/69/572613769.db2.gz PQRKAJSRTAINSP-UHFFFAOYSA-N 0 1 192.262 1.866 10 0 ADAEMN Nc1ncccc1[C@H](N)c1ccoc1 69946542 572614142 /nfs/dbraw/zinc/61/41/42/572614142.db2.gz WIXPWPURAZOBBE-SECBINFHSA-N 0 1 189.218 1.305 10 0 ADAEMN C[C@H](N)c1cnc(-c2c[nH]cn2)o1 74306335 572614143 /nfs/dbraw/zinc/61/41/43/572614143.db2.gz POXQOANBXFZYMN-YFKPBYRVSA-N 0 1 178.195 1.084 10 0 ADAEMN COC[C@H](C)c1cc(C)cnc1N 69943246 572614301 /nfs/dbraw/zinc/61/43/01/572614301.db2.gz YZJJRGIESWFOHL-QMMMGPOBSA-N 0 1 180.251 1.722 10 0 ADAEMN C[C@@H](N)c1nccc(CC2CC2)n1 74306873 572614401 /nfs/dbraw/zinc/61/44/01/572614401.db2.gz GJRAYICAWCJBFQ-SSDOTTSWSA-N 0 1 177.251 1.449 10 0 ADAEMN N[C@@H](Cc1c[nH]cn1)c1ccco1 74307365 572614420 /nfs/dbraw/zinc/61/44/20/572614420.db2.gz KUZHYDDUCLHHNI-QMMMGPOBSA-N 0 1 177.207 1.245 10 0 ADAEMN C[C@H]1CCCCC[N@H+]1C/C=C/C(=O)[O-] 69945241 572614428 /nfs/dbraw/zinc/61/44/28/572614428.db2.gz RKHKXIGRVVGCGA-STUBTGCMSA-N 0 1 197.278 1.892 10 0 ADAEMN N[C@@H](Cc1ccco1)c1cocn1 74306478 572614525 /nfs/dbraw/zinc/61/45/25/572614525.db2.gz ASHDYVNBOABMDJ-QMMMGPOBSA-N 0 1 178.191 1.510 10 0 ADAEMN N[C@H](Cc1ccc[nH]1)c1cnco1 74307346 572614811 /nfs/dbraw/zinc/61/48/11/572614811.db2.gz DNUYBIDZLVUERP-MRVPVSSYSA-N 0 1 177.207 1.245 10 0 ADAEMN COc1ccc2c(c1F)C(=O)CO2 714112116 572614821 /nfs/dbraw/zinc/61/48/21/572614821.db2.gz PSXOOTASWYKVMK-UHFFFAOYSA-N 0 1 182.150 1.409 10 0 ADAEMN Cc1cnc(N)c(C2CCOCC2)c1 69943234 572614937 /nfs/dbraw/zinc/61/49/37/572614937.db2.gz DLRFKRSBMBZNDC-UHFFFAOYSA-N 0 1 192.262 1.866 10 0 ADAEMN C[C@H](N)c1cc(-c2ccco2)no1 74306604 572614998 /nfs/dbraw/zinc/61/49/98/572614998.db2.gz SFBQLKFQCFEYJU-LURJTMIESA-N 0 1 178.191 1.954 10 0 ADAEMN Cc1nc(C)c(-c2oncc2N)[nH]1 74306375 572615080 /nfs/dbraw/zinc/61/50/80/572615080.db2.gz UETBKVFCSLEBFM-UHFFFAOYSA-N 0 1 178.195 1.264 10 0 ADAEMN C[C@H](C(=O)[O-])[C@H]1C[C@H]2CCCC[N@H+]2C1 251700790 572615081 /nfs/dbraw/zinc/61/50/81/572615081.db2.gz XIBCPHAVUPKEMO-LPEHRKFASA-N 0 1 197.278 1.582 10 0 ADAEMN Cc1ccnc(N)c1C[C@H]1CCCO1 69942619 572615301 /nfs/dbraw/zinc/61/53/01/572615301.db2.gz LPSVGBCCRQPSDF-SECBINFHSA-N 0 1 192.262 1.694 10 0 ADAEMN [NH3+][C@H]1CCCC[C@H]1c1cc(=O)[nH][n-]1 74301934 572615714 /nfs/dbraw/zinc/61/57/14/572615714.db2.gz QTIWCOLRWLKOIG-RQJHMYQMSA-N 0 1 181.239 1.100 10 0 ADAEMN COc1cc([C@@H](N)CC2CC2)on1 74300939 572615746 /nfs/dbraw/zinc/61/57/46/572615746.db2.gz XXXCFFGDJRVRIC-ZETCQYMHSA-N 0 1 182.223 1.483 10 0 ADAEMN CN[C@H](c1cncnc1)c1ccoc1 69946765 572615868 /nfs/dbraw/zinc/61/58/68/572615868.db2.gz DYXVJLKWLBNSNB-JTQLQIEISA-N 0 1 189.218 1.378 10 0 ADAEMN Cc1nsc(C2(N)CC=CC2)n1 74301632 572615897 /nfs/dbraw/zinc/61/58/97/572615897.db2.gz QOAUJLQDKRXQPD-UHFFFAOYSA-N 0 1 181.264 1.351 10 0 ADAEMN Cc1c([C@@H]2CCC[C@@H]2[NH3+])[n-][nH]c1=O 74302062 572615918 /nfs/dbraw/zinc/61/59/18/572615918.db2.gz CITBEHSWDIYLBG-RQJHMYQMSA-N 0 1 181.239 1.019 10 0 ADAEMN [NH3+][C@@H]1CCCC[C@@H]1c1cc(=O)[nH][n-]1 74301940 572615978 /nfs/dbraw/zinc/61/59/78/572615978.db2.gz QTIWCOLRWLKOIG-NKWVEPMBSA-N 0 1 181.239 1.100 10 0 ADAEMN CN[C@H](C)c1nc(-c2ccoc2)no1 69945994 572615989 /nfs/dbraw/zinc/61/59/89/572615989.db2.gz MQFJOKKBJCLXIA-ZCFIWIBFSA-N 0 1 193.206 1.610 10 0 ADAEMN Cc1ccnc(N)c1CCOC(C)C 69942728 572616025 /nfs/dbraw/zinc/61/60/25/572616025.db2.gz FORACHMDDOZPHJ-UHFFFAOYSA-N 0 1 194.278 1.940 10 0 ADAEMN CN[C@@H](c1cncnc1)c1ccoc1 69946767 572616034 /nfs/dbraw/zinc/61/60/34/572616034.db2.gz DYXVJLKWLBNSNB-SNVBAGLBSA-N 0 1 189.218 1.378 10 0 ADAEMN Cc1c([C@@H]2CCC[C@H]2[NH3+])[n-][nH]c1=O 74302065 572616130 /nfs/dbraw/zinc/61/61/30/572616130.db2.gz CITBEHSWDIYLBG-RNFRBKRXSA-N 0 1 181.239 1.019 10 0 ADAEMN Nc1ccccc1-c1cn2[nH]ccc2n1 250240610 572616634 /nfs/dbraw/zinc/61/66/34/572616634.db2.gz OKPVOVFOIVQIJE-UHFFFAOYSA-N 0 1 198.229 1.912 10 0 ADAEMN [NH3+][C@H]1CCCC[C@@H]1c1cc(=O)[nH][n-]1 74301936 572617053 /nfs/dbraw/zinc/61/70/53/572617053.db2.gz QTIWCOLRWLKOIG-BQBZGAKWSA-N 0 1 181.239 1.100 10 0 ADAEMN [NH3+][C@@H]1CCCC[C@H]1c1cc(=O)[nH][n-]1 74301938 572617100 /nfs/dbraw/zinc/61/71/00/572617100.db2.gz QTIWCOLRWLKOIG-RNFRBKRXSA-N 0 1 181.239 1.100 10 0 ADAEMN Cc1c([C@H]2CCC[C@H]2[NH3+])[n-][nH]c1=O 74302067 572617109 /nfs/dbraw/zinc/61/71/09/572617109.db2.gz CITBEHSWDIYLBG-NKWVEPMBSA-N 0 1 181.239 1.019 10 0 ADAEMN c1nnc(NCCN2CCCC2)s1 69966773 572617361 /nfs/dbraw/zinc/61/73/61/572617361.db2.gz AZYINDJJWKHSSQ-UHFFFAOYSA-N 0 1 198.295 1.046 10 0 ADAEMN CCc1[nH+]c(C(=O)[O-])n(CC)c1C 74300941 572617977 /nfs/dbraw/zinc/61/79/77/572617977.db2.gz VHBXWZRWGNAOQQ-UHFFFAOYSA-N 0 1 182.223 1.472 10 0 ADAEMN CCC[C@H](N)C(=O)c1c[nH]nc1C 74302048 572618170 /nfs/dbraw/zinc/61/81/70/572618170.db2.gz LCVDXFBEZCYYKD-QMMMGPOBSA-N 0 1 181.239 1.028 10 0 ADAEMN Cc1c([C@H]2CCC[C@@H]2[NH3+])[n-][nH]c1=O 74302064 572618420 /nfs/dbraw/zinc/61/84/20/572618420.db2.gz CITBEHSWDIYLBG-BQBZGAKWSA-N 0 1 181.239 1.019 10 0 ADAEMN C[C@H]1CC[N@@H+](C)CC[C@H]1C(=O)[O-] 251706353 572618448 /nfs/dbraw/zinc/61/84/48/572618448.db2.gz OMIRGPYIFIGTFG-JGVFFNPUSA-N 0 1 171.240 1.049 10 0 ADAEMN Cc1cc(C(=O)[C@H](C)N)cc(C)c1N 214699212 572618986 /nfs/dbraw/zinc/61/89/86/572618986.db2.gz NYJMENXPSQQYPP-QMMMGPOBSA-N 0 1 192.262 1.416 10 0 ADAEMN Cc1cc(-c2ncc(CN)o2)no1 83273044 572619000 /nfs/dbraw/zinc/61/90/00/572619000.db2.gz FVBDFRSVZRYOAB-UHFFFAOYSA-N 0 1 179.179 1.097 10 0 ADAEMN c1nc([C@@H]2CCCCCN2)co1 83270049 572619203 /nfs/dbraw/zinc/61/92/03/572619203.db2.gz JTAUOTBRRIQLIH-QMMMGPOBSA-N 0 1 166.224 1.879 10 0 ADAEMN 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0 1 197.278 1.580 10 0 ADAEMN C[C@H]1[C@H](C(=O)[O-])[C@H](C)CC[N@H+]1C1CC1 251750877 572621665 /nfs/dbraw/zinc/62/16/65/572621665.db2.gz SHHMXSGIPVCPMG-KHQFGBGNSA-N 0 1 197.278 1.580 10 0 ADAEMN COC[C@H]1CC[C@@H]1NCc1cocn1 393533441 572621720 /nfs/dbraw/zinc/62/17/20/572621720.db2.gz XVENGWSAPWWEKR-SCZZXKLOSA-N 0 1 196.250 1.189 10 0 ADAEMN NCc1nonc1C1CCCCC1 74302211 572621888 /nfs/dbraw/zinc/62/18/88/572621888.db2.gz QAHSRFUBSCTCKU-UHFFFAOYSA-N 0 1 181.239 1.576 10 0 ADAEMN CCCc1nc(CSC)n[nH]1 69985469 572622241 /nfs/dbraw/zinc/62/22/41/572622241.db2.gz CLUYRKZMTISLGD-UHFFFAOYSA-N 0 1 171.269 1.620 10 0 ADAEMN CC(C)c1ncc(N)c(C2(N)CC2)n1 214699657 572622169 /nfs/dbraw/zinc/62/21/69/572622169.db2.gz FQWSABRUZJBSGD-UHFFFAOYSA-N 0 1 192.266 1.130 10 0 ADAEMN Cc1[nH]c2c(c1C(=O)[C@@H](C)N)CCC2 214699031 572622293 /nfs/dbraw/zinc/62/22/93/572622293.db2.gz UHSBFPPMSLWIBM-ZCFIWIBFSA-N 0 1 192.262 1.342 10 0 ADAEMN CSCC[C@H](C/C=C/[NH3+])C(=O)[O-] 238362553 572622684 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SJODAEWFJMRILI-UHFFFAOYSA-N 0 1 197.209 1.474 10 0 ADAEMN CC[C@@]1(C(=O)[O-])CC[N@@H+](CCF)C1 87776362 572711393 /nfs/dbraw/zinc/71/13/93/572711393.db2.gz DVXGBZSBGOHPEU-SECBINFHSA-N 0 1 189.230 1.143 10 0 ADAEMN C/C=C\[C@@]1(C)SC(=O)C=C1O 307877862 572714785 /nfs/dbraw/zinc/71/47/85/572714785.db2.gz WNFVKZQQRWQGAP-TUUFMJSCSA-N 0 1 170.233 1.554 10 0 ADAEMN CC(C)[N@@H+](CCF)CCCC(=O)[O-] 87776288 572711958 /nfs/dbraw/zinc/71/19/58/572711958.db2.gz QOXHWUVNLOAIMB-UHFFFAOYSA-N 0 1 191.246 1.531 10 0 ADAEMN C/C=C/C[N@H+]1CCC[C@@]1(C)C(=O)[O-] 70618194 572712010 /nfs/dbraw/zinc/71/20/10/572712010.db2.gz UTTYOORKRCPGOX-FSIBCCDJSA-N 0 1 183.251 1.502 10 0 ADAEMN CC(C)(C)[N@@H+](CCF)CC(=O)[O-] 87776428 572712228 /nfs/dbraw/zinc/71/22/28/572712228.db2.gz JGXVIPWSKWXRCH-UHFFFAOYSA-N 0 1 177.219 1.141 10 0 ADAEMN CC[N@@H+](CCF)C(C)(C)C(=O)[O-] 87776336 572712610 /nfs/dbraw/zinc/71/26/10/572712610.db2.gz MIYVNDDBJOJFAI-UHFFFAOYSA-N 0 1 177.219 1.141 10 0 ADAEMN CC[N@@H+](CCF)[C@H](C)CC(=O)[O-] 87776338 572712637 /nfs/dbraw/zinc/71/26/37/572712637.db2.gz ZBJNRJGPPVVTTP-SSDOTTSWSA-N 0 1 177.219 1.141 10 0 ADAEMN CC(=O)C[C@H]1CCCN1CCF 87775539 572712721 /nfs/dbraw/zinc/71/27/21/572712721.db2.gz RYHQTDMGWAQERG-SECBINFHSA-N 0 1 173.231 1.399 10 0 ADAEMN CC(C)OC(=O)[C@]1(C)CCCN1 70618286 572712788 /nfs/dbraw/zinc/71/27/88/572712788.db2.gz RCUKZKVFYSFBOI-VIFPVBQESA-N 0 1 171.240 1.080 10 0 ADAEMN CC1(C)CCC(N)(c2ncon2)CC1 70623274 572713281 /nfs/dbraw/zinc/71/32/81/572713281.db2.gz OSEJDPAUZPJYJL-UHFFFAOYSA-N 0 1 195.266 1.824 10 0 ADAEMN C/C=C/C[N@H+]1CCC[C@]1(C)C(=O)[O-] 70618195 572714389 /nfs/dbraw/zinc/71/43/89/572714389.db2.gz UTTYOORKRCPGOX-HMDXOVGESA-N 0 1 183.251 1.502 10 0 ADAEMN C/C=C\[C@]1(C)SC(=O)C=C1O 307877863 572714403 /nfs/dbraw/zinc/71/44/03/572714403.db2.gz WNFVKZQQRWQGAP-VEMNSZJBSA-N 0 1 170.233 1.554 10 0 ADAEMN Cc1ccnn1Cc1ccc(CN)o1 70630148 572715165 /nfs/dbraw/zinc/71/51/65/572715165.db2.gz CMDLAAUEBVFNDZ-UHFFFAOYSA-N 0 1 191.234 1.292 10 0 ADAEMN CCCNCc1cn([C@@H](C)CC)nn1 85273168 572716486 /nfs/dbraw/zinc/71/64/86/572716486.db2.gz YGPUDAIZOYINRX-VIFPVBQESA-N 0 1 196.298 1.749 10 0 ADAEMN CCCNCc1cn([C@H](C)CC)nn1 85273170 572716763 /nfs/dbraw/zinc/71/67/63/572716763.db2.gz YGPUDAIZOYINRX-SECBINFHSA-N 0 1 196.298 1.749 10 0 ADAEMN CCCCn1cc(CNCCC)nn1 85273110 572717220 /nfs/dbraw/zinc/71/72/20/572717220.db2.gz YFRJPWNPOTYRJN-UHFFFAOYSA-N 0 1 196.298 1.578 10 0 ADAEMN CCn1ccnc1NCc1ncc[nH]1 70646554 572717221 /nfs/dbraw/zinc/71/72/21/572717221.db2.gz QSWPFGNNHRBJMR-UHFFFAOYSA-N 0 1 191.238 1.238 10 0 ADAEMN C[N@H+]1CC/C(=C/C(=O)[O-])CC1(C)C 308099227 572717301 /nfs/dbraw/zinc/71/73/01/572717301.db2.gz DFLDEGBQCNVRFO-VURMDHGXSA-N 0 1 183.251 1.502 10 0 ADAEMN CCC[C@@H](C)Cn1cc(CNC)nn1 85272423 572718104 /nfs/dbraw/zinc/71/81/04/572718104.db2.gz KSLFXRNXHKUSID-SECBINFHSA-N 0 1 196.298 1.434 10 0 ADAEMN CCCNCc1cn(CC2CC2)nn1 85273116 572717823 /nfs/dbraw/zinc/71/78/23/572717823.db2.gz XUJZOUQOADHQOY-UHFFFAOYSA-N 0 1 194.282 1.188 10 0 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1 174.244 1.592 10 0 ADAEMN CCC[C@H](C)Cn1cc(CNC)nn1 85272424 572719868 /nfs/dbraw/zinc/71/98/68/572719868.db2.gz KSLFXRNXHKUSID-VIFPVBQESA-N 0 1 196.298 1.434 10 0 ADAEMN C[C@H](CON=C(N)N)c1ccccc1 238440890 572720040 /nfs/dbraw/zinc/72/00/40/572720040.db2.gz UXSVMEADCJDNFS-MRVPVSSYSA-N 0 1 193.250 1.205 10 0 ADAEMN CN1CC[C@H](Nc2ncccc2F)C1 54700752 572720140 /nfs/dbraw/zinc/72/01/40/572720140.db2.gz QZEMBXFGWWCLBZ-QMMMGPOBSA-N 0 1 195.241 1.337 10 0 ADAEMN Cc1ncc(CNc2cnn(C)c2)[nH]1 54821627 572726498 /nfs/dbraw/zinc/72/64/98/572726498.db2.gz NMYQQMSCUWZBMR-UHFFFAOYSA-N 0 1 191.238 1.064 10 0 ADAEMN CCC[N@H+]1CC[C@@H](CC(=O)[O-])C[C@H]1C 252475004 572727583 /nfs/dbraw/zinc/72/75/83/572727583.db2.gz QIMBXBFKKBZERT-NXEZZACHSA-N 0 1 199.294 1.972 10 0 ADAEMN Cc1ncc(CNc2ccn(C)n2)[nH]1 54822249 572727756 /nfs/dbraw/zinc/72/77/56/572727756.db2.gz KJLOKRMHBNIPSB-UHFFFAOYSA-N 0 1 191.238 1.064 10 0 ADAEMN CCC[N@H+]1CC[C@H](CC(=O)[O-])C[C@H]1C 252475005 572727778 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FZZNDIWJDHNULJ-SSDOTTSWSA-N 0 1 195.270 1.378 10 0 ADAEMN CCCC[C@H](C)Nc1nc(N)n[nH]1 85419921 572737906 /nfs/dbraw/zinc/73/79/06/572737906.db2.gz LGLPXPMJBZQBPR-LURJTMIESA-N 0 1 183.259 1.378 10 0 ADAEMN CC[C@@H]1C[C@@H]1CN1CCC(=O)[C@H](C)C1 307634433 572737935 /nfs/dbraw/zinc/73/79/35/572737935.db2.gz PSTWIPQEPCMXDB-GMTAPVOTSA-N 0 1 195.306 1.943 10 0 ADAEMN CCCN(c1nc(N)n[nH]1)C(C)C 85420341 572738117 /nfs/dbraw/zinc/73/81/17/572738117.db2.gz NINCBCAKQMIKKA-UHFFFAOYSA-N 0 1 183.259 1.012 10 0 ADAEMN CC[C@@H]1C[C@@H]1NCc1cnns1 308107075 572738139 /nfs/dbraw/zinc/73/81/39/572738139.db2.gz IKWVVWKYWHBPCV-SVRRBLITSA-N 0 1 183.280 1.426 10 0 ADAEMN CC[C@@H](CC1CC1)Nc1nc(N)n[nH]1 85420568 572738257 /nfs/dbraw/zinc/73/82/57/572738257.db2.gz FZZNDIWJDHNULJ-ZETCQYMHSA-N 0 1 195.270 1.378 10 0 ADAEMN CC(C)CC[C@H](C)Nc1nc(N)n[nH]1 85420558 572738297 /nfs/dbraw/zinc/73/82/97/572738297.db2.gz JKFVNKQZGOKSAQ-ZETCQYMHSA-N 0 1 197.286 1.624 10 0 ADAEMN CCC(CC)[C@H](C)Nc1nc(N)n[nH]1 85420547 572738309 /nfs/dbraw/zinc/73/83/09/572738309.db2.gz HZBWMRIAWJDHPA-LURJTMIESA-N 0 1 197.286 1.624 10 0 ADAEMN CC(C)CCCNc1nc(N)n[nH]1 85420472 572738955 /nfs/dbraw/zinc/73/89/55/572738955.db2.gz NXHMCTQKWSUPHL-UHFFFAOYSA-N 0 1 183.259 1.235 10 0 ADAEMN CCCCCNc1cncc(=NN)[nH]1 87904729 572739033 /nfs/dbraw/zinc/73/90/33/572739033.db2.gz HHOBIACXPXPCBB-UHFFFAOYSA-N 0 1 195.270 1.364 10 0 ADAEMN CCCCCNc1cncc(NN)n1 87904729 572739036 /nfs/dbraw/zinc/73/90/36/572739036.db2.gz HHOBIACXPXPCBB-UHFFFAOYSA-N 0 1 195.270 1.364 10 0 ADAEMN CC[C@@H](C)C[C@@H](C)Nc1nc(N)n[nH]1 85420665 572739041 /nfs/dbraw/zinc/73/90/41/572739041.db2.gz JDMZXUMTJFHNLI-RNFRBKRXSA-N 0 1 197.286 1.624 10 0 ADAEMN CCCCN(CC)c1nc(N)n[nH]1 85419924 572739118 /nfs/dbraw/zinc/73/91/18/572739118.db2.gz SXIZJDZJKVQBFL-UHFFFAOYSA-N 0 1 183.259 1.013 10 0 ADAEMN Cc1ccnc(N)c1[C@H]1CC[C@@H](O)C1 70772062 572739189 /nfs/dbraw/zinc/73/91/89/572739189.db2.gz ZQHMAIZPUGHCFO-DTWKUNHWSA-N 0 1 192.262 1.601 10 0 ADAEMN Cc1ccnc(N)c1[C@@H]1CC[C@H](O)C1 70772050 572739246 /nfs/dbraw/zinc/73/92/46/572739246.db2.gz ZQHMAIZPUGHCFO-BDAKNGLRSA-N 0 1 192.262 1.601 10 0 ADAEMN CC(C)CN(c1nc(N)n[nH]1)C(C)C 85420275 572739552 /nfs/dbraw/zinc/73/95/52/572739552.db2.gz HQUFIPMVJWMMPY-UHFFFAOYSA-N 0 1 197.286 1.258 10 0 ADAEMN CCC[C@@H](CC)Nc1nc(N)n[nH]1 85419940 572739580 /nfs/dbraw/zinc/73/95/80/572739580.db2.gz RYUXKSNDVJLVOY-ZCFIWIBFSA-N 0 1 183.259 1.378 10 0 ADAEMN CCC[C@H](C)N(C)c1nc(N)n[nH]1 85419887 572739634 /nfs/dbraw/zinc/73/96/34/572739634.db2.gz GCTPTKSFGSNHBC-LURJTMIESA-N 0 1 183.259 1.012 10 0 ADAEMN CC[C@H](C)N(CC)c1nc(N)n[nH]1 85420340 572739642 /nfs/dbraw/zinc/73/96/42/572739642.db2.gz HSBDBZCVFWBARK-LURJTMIESA-N 0 1 183.259 1.012 10 0 ADAEMN CCCCCCNc1nc(N)n[nH]1 85420584 572739708 /nfs/dbraw/zinc/73/97/08/572739708.db2.gz LQDNIIGCTSBIAD-UHFFFAOYSA-N 0 1 183.259 1.379 10 0 ADAEMN CCOCCN(CC)CCF 307895245 572739736 /nfs/dbraw/zinc/73/97/36/572739736.db2.gz HUPSCFGKRLEBGK-UHFFFAOYSA-N 0 1 163.236 1.314 10 0 ADAEMN CCCN(CC1CC1)c1nc(N)n[nH]1 85420016 572739853 /nfs/dbraw/zinc/73/98/53/572739853.db2.gz TVTZAEIMYUOMBD-UHFFFAOYSA-N 0 1 195.270 1.013 10 0 ADAEMN CCCCSc1cc(NN)ncn1 87891340 572739875 /nfs/dbraw/zinc/73/98/75/572739875.db2.gz TZYRXQBJOPHHPE-UHFFFAOYSA-N 0 1 198.295 1.654 10 0 ADAEMN CCC(CC)[C@@H](C)Nc1nc(N)n[nH]1 85420546 572739921 /nfs/dbraw/zinc/73/99/21/572739921.db2.gz HZBWMRIAWJDHPA-ZCFIWIBFSA-N 0 1 197.286 1.624 10 0 ADAEMN CCC[C@@H](C)N(C)c1nc(N)n[nH]1 85419886 572740448 /nfs/dbraw/zinc/74/04/48/572740448.db2.gz GCTPTKSFGSNHBC-ZCFIWIBFSA-N 0 1 183.259 1.012 10 0 ADAEMN CC(C)CN(c1nc(N)n[nH]1)C1CC1 85420087 572740465 /nfs/dbraw/zinc/74/04/65/572740465.db2.gz PAACKSCHSMTIQX-UHFFFAOYSA-N 0 1 195.270 1.012 10 0 ADAEMN Nc1cc(C[C@@H]2CC[C@@H](O)C2)ccn1 70772044 572740495 /nfs/dbraw/zinc/74/04/95/572740495.db2.gz KOLPPFVTOYQTKU-WCBMZHEXSA-N 0 1 192.262 1.367 10 0 ADAEMN CCOC(=O)[C@@]1(N)CC[C@@H](CC)C1 70763946 572740576 /nfs/dbraw/zinc/74/05/76/572740576.db2.gz WCDGWWXCDSIVBN-PSASIEDQSA-N 0 1 185.267 1.457 10 0 ADAEMN Cc1cnc(N)c([C@@H]2CC[C@@H](O)C2)c1 70771424 572740638 /nfs/dbraw/zinc/74/06/38/572740638.db2.gz BMUHKKXOWUIRFI-RKDXNWHRSA-N 0 1 192.262 1.601 10 0 ADAEMN CCCCSc1ccnc(NN)n1 87891290 572740640 /nfs/dbraw/zinc/74/06/40/572740640.db2.gz SGNLTQMKNSDZJF-UHFFFAOYSA-N 0 1 198.295 1.654 10 0 ADAEMN CC[C@@H](C)N(CC)c1nc(N)n[nH]1 85420339 572740681 /nfs/dbraw/zinc/74/06/81/572740681.db2.gz HSBDBZCVFWBARK-ZCFIWIBFSA-N 0 1 183.259 1.012 10 0 ADAEMN CC(C)C[C@H](C)N(C)c1nc(N)n[nH]1 85420257 572740898 /nfs/dbraw/zinc/74/08/98/572740898.db2.gz MXGYKJGXUZOGJG-ZETCQYMHSA-N 0 1 197.286 1.258 10 0 ADAEMN C/C=C\COc1nc(CNC)co1 308108668 572740747 /nfs/dbraw/zinc/74/07/47/572740747.db2.gz XSLZADMKDMIAFT-ARJAWSKDSA-N 0 1 182.223 1.349 10 0 ADAEMN CC(C)CC[C@@H](C)Nc1nc(N)n[nH]1 85420557 572740766 /nfs/dbraw/zinc/74/07/66/572740766.db2.gz JKFVNKQZGOKSAQ-SSDOTTSWSA-N 0 1 197.286 1.624 10 0 ADAEMN CCCCC[C@H](C)Nc1nc(N)n[nH]1 85420294 572740778 /nfs/dbraw/zinc/74/07/78/572740778.db2.gz MDGDXRUOOLKHJE-ZETCQYMHSA-N 0 1 197.286 1.768 10 0 ADAEMN Nc1cc(C[C@H]2CC[C@H](O)C2)ccn1 70772039 572740782 /nfs/dbraw/zinc/74/07/82/572740782.db2.gz KOLPPFVTOYQTKU-SCZZXKLOSA-N 0 1 192.262 1.367 10 0 ADAEMN Cc1ccnc(N)c1[C@H]1CC[C@H](O)C1 70772055 572740819 /nfs/dbraw/zinc/74/08/19/572740819.db2.gz ZQHMAIZPUGHCFO-IUCAKERBSA-N 0 1 192.262 1.601 10 0 ADAEMN CC(C)C[C@@H](C)N(C)c1nc(N)n[nH]1 85420256 572740831 /nfs/dbraw/zinc/74/08/31/572740831.db2.gz MXGYKJGXUZOGJG-SSDOTTSWSA-N 0 1 197.286 1.258 10 0 ADAEMN Nc1cc(C[C@@H]2CC[C@H](O)C2)ccn1 70772035 572740835 /nfs/dbraw/zinc/74/08/35/572740835.db2.gz KOLPPFVTOYQTKU-WPRPVWTQSA-N 0 1 192.262 1.367 10 0 ADAEMN Cc1cnc(N)c([C@H]2CC[C@@H](O)C2)c1 70771429 572740918 /nfs/dbraw/zinc/74/09/18/572740918.db2.gz BMUHKKXOWUIRFI-DTWKUNHWSA-N 0 1 192.262 1.601 10 0 ADAEMN Cc1ccnc(N)c1[C@@H]1CC[C@@H](O)C1 70772059 572741154 /nfs/dbraw/zinc/74/11/54/572741154.db2.gz ZQHMAIZPUGHCFO-RKDXNWHRSA-N 0 1 192.262 1.601 10 0 ADAEMN Nc1cc(C[C@H]2CC[C@@H](O)C2)ccn1 70772047 572741208 /nfs/dbraw/zinc/74/12/08/572741208.db2.gz KOLPPFVTOYQTKU-PSASIEDQSA-N 0 1 192.262 1.367 10 0 ADAEMN Cc1cnc(N)c([C@@H]2CC[C@H](O)C2)c1 70771419 572741317 /nfs/dbraw/zinc/74/13/17/572741317.db2.gz BMUHKKXOWUIRFI-BDAKNGLRSA-N 0 1 192.262 1.601 10 0 ADAEMN Cc1cnc(N)c([C@H]2CC[C@H](O)C2)c1 70771422 572741541 /nfs/dbraw/zinc/74/15/41/572741541.db2.gz BMUHKKXOWUIRFI-IUCAKERBSA-N 0 1 192.262 1.601 10 0 ADAEMN CCCCC[C@@H](C)Nc1nc(N)n[nH]1 85420293 572741542 /nfs/dbraw/zinc/74/15/42/572741542.db2.gz MDGDXRUOOLKHJE-SSDOTTSWSA-N 0 1 197.286 1.768 10 0 ADAEMN CCCCN(c1nc(N)n[nH]1)C1CC1 85420008 572741561 /nfs/dbraw/zinc/74/15/61/572741561.db2.gz QQMWPUCGSVXMTR-UHFFFAOYSA-N 0 1 195.270 1.156 10 0 ADAEMN CCC[C@H](CC)Nc1nc(N)n[nH]1 85419941 572741564 /nfs/dbraw/zinc/74/15/64/572741564.db2.gz RYUXKSNDVJLVOY-LURJTMIESA-N 0 1 183.259 1.378 10 0 ADAEMN CCC[N@@H+](C)[C@@H]1CC[C@@H]1C(=O)[O-] 87920258 572743983 /nfs/dbraw/zinc/74/39/83/572743983.db2.gz YERLKWZBXIKSQW-JGVFFNPUSA-N 0 1 171.240 1.191 10 0 ADAEMN CCCC[N@@H+](C)[C@H]1CC[C@@H]1C(=O)[O-] 87920204 572741697 /nfs/dbraw/zinc/74/16/97/572741697.db2.gz KZQCKPDAUGEWGY-IUCAKERBSA-N 0 1 185.267 1.582 10 0 ADAEMN CC[N@@H+](CC(C)C)[C@@H]1CC[C@@H]1C(=O)[O-] 87920264 572741920 /nfs/dbraw/zinc/74/19/20/572741920.db2.gz NORZTAXPUDJRCP-VHSXEESVSA-N 0 1 199.294 1.828 10 0 ADAEMN C[N@@H+](CC(C)(C)C)[C@@H]1CC[C@@H]1C(=O)[O-] 87920568 572742187 /nfs/dbraw/zinc/74/21/87/572742187.db2.gz FWXPPYZNJBGDBG-DTWKUNHWSA-N 0 1 199.294 1.828 10 0 ADAEMN CCC[C@@H](C)[N@@H+](C)[C@@H]1CC[C@@H]1C(=O)[O-] 87920312 572742240 /nfs/dbraw/zinc/74/22/40/572742240.db2.gz UKUSLDIQGYRSGM-KXUCPTDWSA-N 0 1 199.294 1.970 10 0 ADAEMN C[C@H]1CCC[N@H+]1[C@@H]1CC[C@@H]1C(=O)[O-] 87920351 572742259 /nfs/dbraw/zinc/74/22/59/572742259.db2.gz CHUPEVFNNRHKEX-XHNCKOQMSA-N 0 1 183.251 1.334 10 0 ADAEMN CCC[C@H](C)[N@@H+](C)[C@@H]1CC[C@@H]1C(=O)[O-] 87920313 572742355 /nfs/dbraw/zinc/74/23/55/572742355.db2.gz UKUSLDIQGYRSGM-LPEHRKFASA-N 0 1 199.294 1.970 10 0 ADAEMN CCC(C)(C)[N@@H+](C)[C@H]1CC[C@@H]1C(=O)[O-] 87920686 572742544 /nfs/dbraw/zinc/74/25/44/572742544.db2.gz GCZFEMVCMIOUDU-IUCAKERBSA-N 0 1 199.294 1.970 10 0 ADAEMN C[N@@H+](CC1CC1)[C@@H]1CC[C@@H]1C(=O)[O-] 87920354 572742553 /nfs/dbraw/zinc/74/25/53/572742553.db2.gz MKCRHPVDHOXQRR-DTWKUNHWSA-N 0 1 183.251 1.191 10 0 ADAEMN CC(C)C[N@@H+](C)[C@@H]1CC[C@@H]1C(=O)[O-] 87920260 572742624 /nfs/dbraw/zinc/74/26/24/572742624.db2.gz AZKKGFLQVDEJBK-DTWKUNHWSA-N 0 1 185.267 1.437 10 0 ADAEMN CC[N@@H+](C)C[C@@H](C(=O)[O-])C(F)(F)F 87921000 572742735 /nfs/dbraw/zinc/74/27/35/572742735.db2.gz CJFICODJLUYQCX-YFKPBYRVSA-N 0 1 199.172 1.201 10 0 ADAEMN CC[C@H](C)[N@@H+](C)[C@@H]1CC[C@@H]1C(=O)[O-] 87920263 572742753 /nfs/dbraw/zinc/74/27/53/572742753.db2.gz QFJXXPGJLGWZFG-XHNCKOQMSA-N 0 1 185.267 1.580 10 0 ADAEMN CCC[N@@H+](C1CC1)[C@H]1CC[C@@H]1C(=O)[O-] 87920257 572742817 /nfs/dbraw/zinc/74/28/17/572742817.db2.gz JBEFXUNOTZZVQQ-UWVGGRQHSA-N 0 1 197.278 1.724 10 0 ADAEMN CCC[N@@H+](CC)[C@@H]1CC[C@@H]1C(=O)[O-] 87920252 572742829 /nfs/dbraw/zinc/74/28/29/572742829.db2.gz ZPYJFFYFNZXRJR-DTWKUNHWSA-N 0 1 185.267 1.582 10 0 ADAEMN CC[C@H](C)[N@@H+](CC)[C@@H]1CC[C@@H]1C(=O)[O-] 87920267 572743064 /nfs/dbraw/zinc/74/30/64/572743064.db2.gz YQLMNGRVVASHLA-LPEHRKFASA-N 0 1 199.294 1.970 10 0 ADAEMN CC[C@@H](NC)c1nc2cc[nH]cc-2n1 70801502 572743240 /nfs/dbraw/zinc/74/32/40/572743240.db2.gz USPMXFHEOWMSAJ-SSDOTTSWSA-N 0 1 190.250 1.628 10 0 ADAEMN CC(C)CC[N@@H+](C)[C@@H]1CC[C@@H]1C(=O)[O-] 87920418 572743332 /nfs/dbraw/zinc/74/33/32/572743332.db2.gz TVVVEEABNKYPCO-VHSXEESVSA-N 0 1 199.294 1.828 10 0 ADAEMN C[N@@H+](CC1CCC1)[C@H]1CC[C@@H]1C(=O)[O-] 87920605 572743452 /nfs/dbraw/zinc/74/34/52/572743452.db2.gz HQSNZUXGQURWIR-UWVGGRQHSA-N 0 1 197.278 1.582 10 0 ADAEMN C[N@@H+](CC1CCC1)[C@@H]1CC[C@@H]1C(=O)[O-] 87920604 572743883 /nfs/dbraw/zinc/74/38/83/572743883.db2.gz HQSNZUXGQURWIR-VHSXEESVSA-N 0 1 197.278 1.582 10 0 ADAEMN CCC(C)(C)[N@@H+](C)[C@@H]1CC[C@@H]1C(=O)[O-] 87920685 572743914 /nfs/dbraw/zinc/74/39/14/572743914.db2.gz GCZFEMVCMIOUDU-DTWKUNHWSA-N 0 1 199.294 1.970 10 0 ADAEMN CC[N@@H+](CC1CC1)[C@H]1CC[C@@H]1C(=O)[O-] 87920684 572743974 /nfs/dbraw/zinc/74/39/74/572743974.db2.gz PONQKLJPWSGDDP-UWVGGRQHSA-N 0 1 197.278 1.582 10 0 ADAEMN COCCN(C)c1ncc(C)cc1N 85425450 572744118 /nfs/dbraw/zinc/74/41/18/572744118.db2.gz JTKOLGICXNYGAO-UHFFFAOYSA-N 0 1 195.266 1.055 10 0 ADAEMN CNC(C)(C)c1nc2cc[nH]cc-2n1 70801431 572744156 /nfs/dbraw/zinc/74/41/56/572744156.db2.gz VRELAYWQSZOQRK-UHFFFAOYSA-N 0 1 190.250 1.412 10 0 ADAEMN C[C@@H]1C[C@@H]1C[N@@H+](C)[C@@H]1CC[C@@H]1C(=O)[O-] 87920679 572744174 /nfs/dbraw/zinc/74/41/74/572744174.db2.gz PGLJBZNLSMRTFJ-DOLQZWNJSA-N 0 1 197.278 1.437 10 0 ADAEMN COCCc1nc2ccncc2[nH]1 70801649 572744177 /nfs/dbraw/zinc/74/41/77/572744177.db2.gz JFMPPDLGYWVSKC-UHFFFAOYSA-N 0 1 177.207 1.147 10 0 ADAEMN COCCc1nc2cnccc2[nH]1 70801649 572744181 /nfs/dbraw/zinc/74/41/81/572744181.db2.gz JFMPPDLGYWVSKC-UHFFFAOYSA-N 0 1 177.207 1.147 10 0 ADAEMN C[N@@H+](CC1CC1)[C@H]1CC[C@@H]1C(=O)[O-] 87920355 572747311 /nfs/dbraw/zinc/74/73/11/572747311.db2.gz MKCRHPVDHOXQRR-IUCAKERBSA-N 0 1 183.251 1.191 10 0 ADAEMN CC[N@@H+](C(C)C)[C@H]1CC[C@@H]1C(=O)[O-] 87920247 572744334 /nfs/dbraw/zinc/74/43/34/572744334.db2.gz VRKLGRCMYWBZGG-IUCAKERBSA-N 0 1 185.267 1.580 10 0 ADAEMN C[C@@H](C1CC1)[N@@H+](C)[C@@H]1CC[C@@H]1C(=O)[O-] 87920306 572744472 /nfs/dbraw/zinc/74/44/72/572744472.db2.gz OQVHQOZBYIUZHI-UJNFCWOMSA-N 0 1 197.278 1.580 10 0 ADAEMN CC(C)CC[N@@H+](C)[C@H]1CC[C@@H]1C(=O)[O-] 87920419 572744483 /nfs/dbraw/zinc/74/44/83/572744483.db2.gz TVVVEEABNKYPCO-UWVGGRQHSA-N 0 1 199.294 1.828 10 0 ADAEMN CC(C)C[N@@H+](C)[C@H]1CC[C@@H]1C(=O)[O-] 87920261 572744588 /nfs/dbraw/zinc/74/45/88/572744588.db2.gz AZKKGFLQVDEJBK-IUCAKERBSA-N 0 1 185.267 1.437 10 0 ADAEMN CC[C@@H](C)[N@@H+](CC)[C@@H]1CC[C@@H]1C(=O)[O-] 87920266 572744628 /nfs/dbraw/zinc/74/46/28/572744628.db2.gz YQLMNGRVVASHLA-KXUCPTDWSA-N 0 1 199.294 1.970 10 0 ADAEMN CC[C@@H](C)C[C@H](C)Nc1nc(N)n[nH]1 85420667 572744660 /nfs/dbraw/zinc/74/46/60/572744660.db2.gz JDMZXUMTJFHNLI-RQJHMYQMSA-N 0 1 197.286 1.624 10 0 ADAEMN CC[N@@H+](C)C[C@H](C(=O)[O-])C(F)(F)F 87921001 572744677 /nfs/dbraw/zinc/74/46/77/572744677.db2.gz CJFICODJLUYQCX-RXMQYKEDSA-N 0 1 199.172 1.201 10 0 ADAEMN CC[C@H](C)C[C@H](C)Nc1nc(N)n[nH]1 85420668 572744751 /nfs/dbraw/zinc/74/47/51/572744751.db2.gz JDMZXUMTJFHNLI-BQBZGAKWSA-N 0 1 197.286 1.624 10 0 ADAEMN CCCC[N@@H+](CC)[C@@H]1CC[C@@H]1C(=O)[O-] 87920207 572744836 /nfs/dbraw/zinc/74/48/36/572744836.db2.gz ZPIOZBHCFDYAGG-VHSXEESVSA-N 0 1 199.294 1.972 10 0 ADAEMN CC[N@@H+](C(C)C)[C@@H]1CC[C@@H]1C(=O)[O-] 87920246 572744845 /nfs/dbraw/zinc/74/48/45/572744845.db2.gz VRKLGRCMYWBZGG-DTWKUNHWSA-N 0 1 185.267 1.580 10 0 ADAEMN CC[N@@H+](C1CC1)[C@H]1CC[C@@H]1C(=O)[O-] 87920243 572744905 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YZYNPONHZLYGOR-PULIVWKDSA-N 0 1 177.675 1.442 10 0 ADAEMN CNCC(=O)c1ccc(OC)s1 308121165 572762054 /nfs/dbraw/zinc/76/20/54/572762054.db2.gz QBFNUXIPFMYOCL-UHFFFAOYSA-N 0 1 185.248 1.159 10 0 ADAEMN CC[N@@H+](C/C=C/Cl)C[C@H](C)O 307913230 572762070 /nfs/dbraw/zinc/76/20/70/572762070.db2.gz YZYNPONHZLYGOR-ZJELKQJVSA-N 0 1 177.675 1.442 10 0 ADAEMN CCCN1CC(c2nc(C)no2)C1 49482531 572762956 /nfs/dbraw/zinc/76/29/56/572762956.db2.gz OJDKCLNDSWCTOU-UHFFFAOYSA-N 0 1 181.239 1.187 10 0 ADAEMN CC[N@@H+](C/C=C\Cl)C[C@H](C)O 307913227 572763494 /nfs/dbraw/zinc/76/34/94/572763494.db2.gz YZYNPONHZLYGOR-LGYSABEFSA-N 0 1 177.675 1.442 10 0 ADAEMN CC/C=C\[N@H+]1CCC[C@@H]1C(=O)[O-] 307918225 572764670 /nfs/dbraw/zinc/76/46/70/572764670.db2.gz SVCBZAHFPVTNGM-WAXIIBMWSA-N 0 1 169.224 1.459 10 0 ADAEMN NC(=S)C=C(O)c1ccccc1 307915384 572765024 /nfs/dbraw/zinc/76/50/24/572765024.db2.gz YPAJFVKEIQZSCW-VURMDHGXSA-N 0 1 179.244 1.872 10 0 ADAEMN CC/C=C\[N@H+]1CCC[C@H]1C(=O)[O-] 307918224 572765809 /nfs/dbraw/zinc/76/58/09/572765809.db2.gz SVCBZAHFPVTNGM-LBLVLHIFSA-N 0 1 169.224 1.459 10 0 ADAEMN c1cc(CNCc2cn[nH]c2)c[nH]1 85579402 572767216 /nfs/dbraw/zinc/76/72/16/572767216.db2.gz ZXCXHLORXPHKIN-UHFFFAOYSA-N 0 1 176.223 1.028 10 0 ADAEMN C[C@H](CN1CCOCC1)n1cccc1 49511326 572767664 /nfs/dbraw/zinc/76/76/64/572767664.db2.gz FVFMMZNYMFKLKX-LLVKDONJSA-N 0 1 194.278 1.381 10 0 ADAEMN COCCCC[C@H](N)C(F)F 307918390 572768369 /nfs/dbraw/zinc/76/83/69/572768369.db2.gz DWLGZJIEEDLWQN-LURJTMIESA-N 0 1 167.199 1.396 10 0 ADAEMN CSCC[C@@H](C/C=C\[NH3+])C(=O)[O-] 307918450 572768471 /nfs/dbraw/zinc/76/84/71/572768471.db2.gz UUKHHGNEFSEKGB-BIPIGHIPSA-N 0 1 189.280 1.303 10 0 ADAEMN CSCC[C@H](C/C=C\[NH3+])C(=O)[O-] 307918451 572768737 /nfs/dbraw/zinc/76/87/37/572768737.db2.gz UUKHHGNEFSEKGB-KVFVURRZSA-N 0 1 189.280 1.303 10 0 ADAEMN C=C/C=C\[N@@H+]1CCC[C@@H]1C(=O)[O-] 307918950 572768883 /nfs/dbraw/zinc/76/88/83/572768883.db2.gz WSBQVFXSVIAEDM-WAXIIBMWSA-N 0 1 167.208 1.235 10 0 ADAEMN CCOc1cncc(CNC2CC2)n1 85694846 572769264 /nfs/dbraw/zinc/76/92/64/572769264.db2.gz NOYOCCBAWQRJAW-UHFFFAOYSA-N 0 1 193.250 1.127 10 0 ADAEMN C/C=C\[C@@H]1CC(=O)[C@H](C)[C@H](C)N1 307919702 572769795 /nfs/dbraw/zinc/76/97/95/572769795.db2.gz ZNWRBOALBAJPRI-HDVQFBALSA-N 0 1 167.252 1.518 10 0 ADAEMN COCCCC[C@@H](N)C(F)F 307918391 572770241 /nfs/dbraw/zinc/77/02/41/572770241.db2.gz DWLGZJIEEDLWQN-ZCFIWIBFSA-N 0 1 167.199 1.396 10 0 ADAEMN C/C=C\[C@@H]1CC(=O)[C@H](C)[C@@H](C)N1 307919703 572770541 /nfs/dbraw/zinc/77/05/41/572770541.db2.gz ZNWRBOALBAJPRI-LBCMHUIZSA-N 0 1 167.252 1.518 10 0 ADAEMN C[C@H]1CC[N@H+]1[C@@H](CC(F)F)C(=O)[O-] 308125253 572770902 /nfs/dbraw/zinc/77/09/02/572770902.db2.gz AOJXRKGQBQTTCN-WDSKDSINSA-N 0 1 193.193 1.189 10 0 ADAEMN COC[C@H](C)C[N@@H+](C)C/C=C/Cl 307931409 572771054 /nfs/dbraw/zinc/77/10/54/572771054.db2.gz HIZDIIAVPJIWLD-XNPJLODASA-N 0 1 191.702 1.953 10 0 ADAEMN COC[C@H](C)C[N@@H+](C)C/C=C\Cl 307931410 572771720 /nfs/dbraw/zinc/77/17/20/572771720.db2.gz HIZDIIAVPJIWLD-XRVBUDJMSA-N 0 1 191.702 1.953 10 0 ADAEMN COC[C@@H](C)C[N@@H+](C)C/C=C\Cl 307931407 572771506 /nfs/dbraw/zinc/77/15/06/572771506.db2.gz HIZDIIAVPJIWLD-WBSSQXGSSA-N 0 1 191.702 1.953 10 0 ADAEMN C[C@@H]1CC[N@H+]1[C@H](CC(F)F)C(=O)[O-] 308125250 572773024 /nfs/dbraw/zinc/77/30/24/572773024.db2.gz AOJXRKGQBQTTCN-PHDIDXHHSA-N 0 1 193.193 1.189 10 0 ADAEMN CCc1nnc([C@H](N)CC(F)F)[nH]1 308125146 572773181 /nfs/dbraw/zinc/77/31/81/572773181.db2.gz AJIIKEPDRINYIR-SCSAIBSYSA-N 0 1 190.197 1.022 10 0 ADAEMN COC[C@@H](C)C[N@@H+](C)C/C=C/Cl 307931405 572773233 /nfs/dbraw/zinc/77/32/33/572773233.db2.gz HIZDIIAVPJIWLD-MOVJSRMASA-N 0 1 191.702 1.953 10 0 ADAEMN CN(C)/C(=C\CO)c1ccccc1 308127119 572774281 /nfs/dbraw/zinc/77/42/81/572774281.db2.gz BZRDJLAVUCQAKY-FLIBITNWSA-N 0 1 177.247 1.581 10 0 ADAEMN CCn1ccc(CNCCF)c1 307928557 572775172 /nfs/dbraw/zinc/77/51/72/572775172.db2.gz AOFHZWWYLXEJDG-UHFFFAOYSA-N 0 1 170.231 1.567 10 0 ADAEMN Cc1cccc2c1[C@](C)(N)C(=O)N2 713747858 572776845 /nfs/dbraw/zinc/77/68/45/572776845.db2.gz IXZCZHSTMFUNAL-JTQLQIEISA-N 0 1 176.219 1.121 10 0 ADAEMN Cc1ccc(/C=C(\[NH3+])C(=O)[O-])s1 307928635 572775885 /nfs/dbraw/zinc/77/58/85/572775885.db2.gz LNHIPTWWHYLLBW-DAXSKMNVSA-N 0 1 183.232 1.441 10 0 ADAEMN CN(C)c1ccc([NH2+]CC(=O)[O-])cc1 55460251 572776580 /nfs/dbraw/zinc/77/65/80/572776580.db2.gz MOECQFJGEDVQPV-UHFFFAOYSA-N 0 1 194.234 1.249 10 0 ADAEMN CCn1ccnc1N[C@@H]1CCCOC1 71014253 572777182 /nfs/dbraw/zinc/77/71/82/572777182.db2.gz PJQODMZVTVHYRR-SECBINFHSA-N 0 1 195.266 1.494 10 0 ADAEMN CCCc1[nH]ncc1C[NH2+]C(C)C 85654873 572777586 /nfs/dbraw/zinc/77/75/86/572777586.db2.gz LBFGHVJCDGPRBV-UHFFFAOYSA-N 0 1 181.283 1.860 10 0 ADAEMN CCn1ccnc1N[C@H]1CCCOC1 71014255 572777688 /nfs/dbraw/zinc/77/76/88/572777688.db2.gz PJQODMZVTVHYRR-VIFPVBQESA-N 0 1 195.266 1.494 10 0 ADAEMN CCc1[nH]ncc1C[NH2+]C(C)C 85654853 572778311 /nfs/dbraw/zinc/77/83/11/572778311.db2.gz ALQWKQKGIPHTPJ-UHFFFAOYSA-N 0 1 167.256 1.470 10 0 ADAEMN COC[C@@H](N)c1cc2ccncc2o1 713748914 572778408 /nfs/dbraw/zinc/77/84/08/572778408.db2.gz OJEMHIVAYMTHRC-MRVPVSSYSA-N 0 1 192.218 1.474 10 0 ADAEMN COC[C@H](N)c1cc2ccncc2o1 713749187 572778477 /nfs/dbraw/zinc/77/84/77/572778477.db2.gz OJEMHIVAYMTHRC-QMMMGPOBSA-N 0 1 192.218 1.474 10 0 ADAEMN Cc1cccc2c1[C@@](C)(N)C(=O)N2 713747865 572778953 /nfs/dbraw/zinc/77/89/53/572778953.db2.gz IXZCZHSTMFUNAL-SNVBAGLBSA-N 0 1 176.219 1.121 10 0 ADAEMN FC(F)CN[C@@H]1CC[N@H+]2CCC[C@H]12 49567322 572778948 /nfs/dbraw/zinc/77/89/48/572778948.db2.gz HERWRRVSTQVKOD-HTQZYQBOSA-N 0 1 190.237 1.078 10 0 ADAEMN C[C@@H]1CC[C@@H]1[N@@H+](C)CCC(=O)[O-] 308119133 572779360 /nfs/dbraw/zinc/77/93/60/572779360.db2.gz OAYUZNJIIWNACS-SFYZADRCSA-N 0 1 171.240 1.191 10 0 ADAEMN FC(F)CN[C@H]1CC[N@H+]2CCC[C@@H]12 49567329 572779735 /nfs/dbraw/zinc/77/97/35/572779735.db2.gz HERWRRVSTQVKOD-YUMQZZPRSA-N 0 1 190.237 1.078 10 0 ADAEMN C[C@H]1CC[C@H]1[N@@H+](C)CCC(=O)[O-] 308119132 572779730 /nfs/dbraw/zinc/77/97/30/572779730.db2.gz OAYUZNJIIWNACS-JGVFFNPUSA-N 0 1 171.240 1.191 10 0 ADAEMN FC(F)CN[C@H]1CC[N@H+]2CCC[C@H]12 49567325 572779776 /nfs/dbraw/zinc/77/97/76/572779776.db2.gz HERWRRVSTQVKOD-JGVFFNPUSA-N 0 1 190.237 1.078 10 0 ADAEMN C[C@@H]1CC[C@H]1[N@@H+](C)CCC(=O)[O-] 308119131 572780119 /nfs/dbraw/zinc/78/01/19/572780119.db2.gz OAYUZNJIIWNACS-HTQZYQBOSA-N 0 1 171.240 1.191 10 0 ADAEMN C[C@H]1CC[C@@H]1[N@@H+](C)CCC(=O)[O-] 308119134 572780490 /nfs/dbraw/zinc/78/04/90/572780490.db2.gz OAYUZNJIIWNACS-YUMQZZPRSA-N 0 1 171.240 1.191 10 0 ADAEMN CCc1[nH]ncc1C[NH2+]C1CC1 85654841 572780797 /nfs/dbraw/zinc/78/07/97/572780797.db2.gz PMESPQCFDSZFKI-UHFFFAOYSA-N 0 1 165.240 1.224 10 0 ADAEMN FC(F)CN[C@@H]1CC[N@H+]2CCC[C@@H]12 49567324 572781961 /nfs/dbraw/zinc/78/19/61/572781961.db2.gz HERWRRVSTQVKOD-SFYZADRCSA-N 0 1 190.237 1.078 10 0 ADAEMN CCC(=O)CCN1CC[C@@](C)(F)C1 308129040 572782408 /nfs/dbraw/zinc/78/24/08/572782408.db2.gz AYRQJDRYMVXYGM-SNVBAGLBSA-N 0 1 187.258 1.790 10 0 ADAEMN Cn1c(N)nc2c3ccccc3ncc21 238537527 572783148 /nfs/dbraw/zinc/78/31/48/572783148.db2.gz CIDRZDIUCABGMN-UHFFFAOYSA-N 0 1 198.229 1.704 10 0 ADAEMN CCn1cc(N2CCCCC2=N)cn1 49584232 572783249 /nfs/dbraw/zinc/78/32/49/572783249.db2.gz HFYFZXVLYKPIKA-UHFFFAOYSA-N 0 1 192.266 1.871 10 0 ADAEMN CCC(=O)CCN1CC[C@](C)(F)C1 308129036 572783253 /nfs/dbraw/zinc/78/32/53/572783253.db2.gz AYRQJDRYMVXYGM-JTQLQIEISA-N 0 1 187.258 1.790 10 0 ADAEMN CCN[C@H](C(N)=O)c1ccsc1C 308128791 572783843 /nfs/dbraw/zinc/78/38/43/572783843.db2.gz GOHRFVDXNBOJMI-QMMMGPOBSA-N 0 1 198.291 1.192 10 0 ADAEMN C=C/C=C/CC[C@@H](CN1CCC1)NN 713752615 572784104 /nfs/dbraw/zinc/78/41/04/572784104.db2.gz NVFCMIJYIZAPHF-UFFNRZRYSA-N 0 1 195.310 1.046 10 0 ADAEMN CCN[C@@H](C(N)=O)c1ccsc1C 308128790 572784602 /nfs/dbraw/zinc/78/46/02/572784602.db2.gz GOHRFVDXNBOJMI-MRVPVSSYSA-N 0 1 198.291 1.192 10 0 ADAEMN CCC(=O)CN1CCCC[C@H]1COC 307762432 572784776 /nfs/dbraw/zinc/78/47/76/572784776.db2.gz DSPQTMOJVNRNMW-JTQLQIEISA-N 0 1 199.294 1.466 10 0 ADAEMN CCc1c(CNC)noc1C1CC1 308128974 572785174 /nfs/dbraw/zinc/78/51/74/572785174.db2.gz AXAXVJZETXQUHA-UHFFFAOYSA-N 0 1 180.251 1.834 10 0 ADAEMN CC1(C)CCC[N@H+]1C/C=C\C(=O)[O-] 213993886 572785419 /nfs/dbraw/zinc/78/54/19/572785419.db2.gz AXNRGBCYUPVANC-HYXAFXHYSA-N 0 1 183.251 1.502 10 0 ADAEMN CCc1cccc2c1[C@](C)(N)C(=O)N2 713752958 572785595 /nfs/dbraw/zinc/78/55/95/572785595.db2.gz KCEVJNHNJIZWSV-NSHDSACASA-N 0 1 190.246 1.375 10 0 ADAEMN CCc1cccc2c1[C@@](C)(N)C(=O)N2 713752956 572785677 /nfs/dbraw/zinc/78/56/77/572785677.db2.gz KCEVJNHNJIZWSV-LLVKDONJSA-N 0 1 190.246 1.375 10 0 ADAEMN C=C/C=C\CC[C@H](CN1CCC1)NN 713752613 572785973 /nfs/dbraw/zinc/78/59/73/572785973.db2.gz NVFCMIJYIZAPHF-DLRQAJBASA-N 0 1 195.310 1.046 10 0 ADAEMN CCC[C@@H]1NC(C)(C)NC1=S 196547396 572786087 /nfs/dbraw/zinc/78/60/87/572786087.db2.gz YIVVJSLGFBSPLV-LURJTMIESA-N 0 1 172.297 1.411 10 0 ADAEMN CCCC[C@@H]1NC(C)(C)NC1=S 196547442 572786240 /nfs/dbraw/zinc/78/62/40/572786240.db2.gz XNLQSSJDSNNKLP-ZETCQYMHSA-N 0 1 186.324 1.802 10 0 ADAEMN CCCC[C@H]1NC(C)(C)NC1=S 196547435 572786278 /nfs/dbraw/zinc/78/62/78/572786278.db2.gz XNLQSSJDSNNKLP-SSDOTTSWSA-N 0 1 186.324 1.802 10 0 ADAEMN CCC(=O)CN1CCCC[C@@H]1COC 307762433 572786321 /nfs/dbraw/zinc/78/63/21/572786321.db2.gz DSPQTMOJVNRNMW-SNVBAGLBSA-N 0 1 199.294 1.466 10 0 ADAEMN CCC[C@H]1NC(C)(C)NC1=S 196547388 572786403 /nfs/dbraw/zinc/78/64/03/572786403.db2.gz YIVVJSLGFBSPLV-ZCFIWIBFSA-N 0 1 172.297 1.411 10 0 ADAEMN OCCCNCc1ccoc1Cl 236493856 572786868 /nfs/dbraw/zinc/78/68/68/572786868.db2.gz KVSLKBGMLNREDQ-UHFFFAOYSA-N 0 1 189.642 1.405 10 0 ADAEMN CC(C)C[C@H]1NC(C)(C)NC1=S 196547491 572786904 /nfs/dbraw/zinc/78/69/04/572786904.db2.gz HASBRSBAGVXLQF-SSDOTTSWSA-N 0 1 186.324 1.657 10 0 ADAEMN CC(C)C[C@@H]1NC(C)(C)NC1=S 196547500 572786914 /nfs/dbraw/zinc/78/69/14/572786914.db2.gz HASBRSBAGVXLQF-ZETCQYMHSA-N 0 1 186.324 1.657 10 0 ADAEMN C=C/C=C/CC[C@H](CN1CCC1)NN 713752614 572787397 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O=C1CNC[C@@H]1Cc1ccccc1F 75120691 572822029 /nfs/dbraw/zinc/82/20/29/572822029.db2.gz MJMCVXVLKQLFKL-VIFPVBQESA-N 0 1 193.221 1.157 10 0 ADAEMN CC[C@@H](C)Oc1ccnc(CN)n1 308140307 572822150 /nfs/dbraw/zinc/82/21/50/572822150.db2.gz SBILVDIQGUYCTR-SSDOTTSWSA-N 0 1 181.239 1.113 10 0 ADAEMN O=C1CNC[C@@H]1Cc1ccc(F)cc1 75120685 572822151 /nfs/dbraw/zinc/82/21/51/572822151.db2.gz PLYFKEJAEIWQOM-VIFPVBQESA-N 0 1 193.221 1.157 10 0 ADAEMN Cn1c(C=O)ccc1CN1CCCC1 75120447 572822159 /nfs/dbraw/zinc/82/21/59/572822159.db2.gz ZAUANJQFSOCOKQ-UHFFFAOYSA-N 0 1 192.262 1.433 10 0 ADAEMN C[C@](N)(CF)c1ccccn1 713761166 572822301 /nfs/dbraw/zinc/82/23/01/572822301.db2.gz IFKHYTFSTPRMBG-QMMMGPOBSA-N 0 1 154.188 1.225 10 0 ADAEMN CC[C@H](C)Oc1ccnc(CN)n1 308140308 572822418 /nfs/dbraw/zinc/82/24/18/572822418.db2.gz SBILVDIQGUYCTR-ZETCQYMHSA-N 0 1 181.239 1.113 10 0 ADAEMN CC(C)[C@H](C(=O)OC1CC1)N(C)C 308141376 572827050 /nfs/dbraw/zinc/82/70/50/572827050.db2.gz IWKOWUZOCLNFQL-SECBINFHSA-N 0 1 185.267 1.278 10 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CC(C)[C@H](N)C(=O)c1cc[nH]c1 71496037 572831923 /nfs/dbraw/zinc/83/19/23/572831923.db2.gz FBTLOWBATKHPLW-QMMMGPOBSA-N 0 1 166.224 1.181 10 0 ADAEMN C[C@H]1CO[C@@H](c2ccccc2)N1 71495712 572831932 /nfs/dbraw/zinc/83/19/32/572831932.db2.gz XVORNMQUDXNBIH-WPRPVWTQSA-N 0 1 163.220 1.694 10 0 ADAEMN Cc1ccc2c(Cl)[nH]c(=O)nc2c1 214780133 572832017 /nfs/dbraw/zinc/83/20/17/572832017.db2.gz NDXVCBWEFGGGNH-UHFFFAOYSA-N 0 1 194.621 1.885 10 0 ADAEMN Cc1[nH]c(-c2ccco2)nc1C=O 71496968 572832072 /nfs/dbraw/zinc/83/20/72/572832072.db2.gz LESBDAKMGJYMTE-UHFFFAOYSA-N 0 1 176.175 1.791 10 0 ADAEMN CC(C)[C@@H](N)C(=O)c1ccco1 71496169 572832446 /nfs/dbraw/zinc/83/24/46/572832446.db2.gz HKRGOHKFFYUERP-MRVPVSSYSA-N 0 1 167.208 1.446 10 0 ADAEMN CC(C)n1cc([C@@H]2CCCCN2)nn1 214777992 572832503 /nfs/dbraw/zinc/83/25/03/572832503.db2.gz HCRVUBNYHSUFTL-VIFPVBQESA-N 0 1 194.282 1.674 10 0 ADAEMN C[C@@H]1CO[C@H](c2ccccc2)N1 71495709 572832563 /nfs/dbraw/zinc/83/25/63/572832563.db2.gz XVORNMQUDXNBIH-PSASIEDQSA-N 0 1 163.220 1.694 10 0 ADAEMN Cc1[nH+]c(C(C)C)n(C)c1C(=O)[O-] 71494006 572832607 /nfs/dbraw/zinc/83/26/07/572832607.db2.gz AMLXXDDTYWPUDA-UHFFFAOYSA-N 0 1 182.223 1.550 10 0 ADAEMN C[C@@H]1CN[C@H](c2ccccc2)O1 71495705 572832787 /nfs/dbraw/zinc/83/27/87/572832787.db2.gz JJMTWGHPIRGCTE-SCZZXKLOSA-N 0 1 163.220 1.694 10 0 ADAEMN CC(=O)CC(=O)Cc1cccc(F)c1 118301926 572832982 /nfs/dbraw/zinc/83/29/82/572832982.db2.gz KAQNWWGUHCOPTM-UHFFFAOYSA-N 0 1 194.205 1.916 10 0 ADAEMN CC(=O)C=C(O)Cc1cccc(F)c1 118301926 572832987 /nfs/dbraw/zinc/83/29/87/572832987.db2.gz KAQNWWGUHCOPTM-UHFFFAOYSA-N 0 1 194.205 1.916 10 0 ADAEMN CCn1nnc([C@H]2CCCCN2)c1C 214777909 572832995 /nfs/dbraw/zinc/83/29/95/572832995.db2.gz GCGZMBCOKQTXCG-SECBINFHSA-N 0 1 194.282 1.421 10 0 ADAEMN C[C@@H]1CN[C@@H](c2ccccc2)O1 71495707 572833192 /nfs/dbraw/zinc/83/31/92/572833192.db2.gz JJMTWGHPIRGCTE-PSASIEDQSA-N 0 1 163.220 1.694 10 0 ADAEMN C[C@@H]1CO[C@@H](c2ccccc2)N1 71495711 572833203 /nfs/dbraw/zinc/83/32/03/572833203.db2.gz XVORNMQUDXNBIH-SCZZXKLOSA-N 0 1 163.220 1.694 10 0 ADAEMN C[C@@H]1OCCN[C@H]1c1ccccc1 71497310 572833568 /nfs/dbraw/zinc/83/35/68/572833568.db2.gz YCMKNJLSQACMTL-GXSJLCMTSA-N 0 1 177.247 1.736 10 0 ADAEMN Cc1[nH+]c(C(C)C)n(C)c1CC(=O)[O-] 71494008 572833589 /nfs/dbraw/zinc/83/35/89/572833589.db2.gz DSCPCTHWDIKMOD-UHFFFAOYSA-N 0 1 196.250 1.479 10 0 ADAEMN C[C@H]1CO[C@H](c2ccccc2)N1 71495710 572833637 /nfs/dbraw/zinc/83/36/37/572833637.db2.gz XVORNMQUDXNBIH-WCBMZHEXSA-N 0 1 163.220 1.694 10 0 ADAEMN C[C@H]1OCCN[C@@H]1c1ccccc1 71497312 572833679 /nfs/dbraw/zinc/83/36/79/572833679.db2.gz YCMKNJLSQACMTL-KOLCDFICSA-N 0 1 177.247 1.736 10 0 ADAEMN C[C@H]1OCCN[C@H]1c1ccccc1 71497308 572833695 /nfs/dbraw/zinc/83/36/95/572833695.db2.gz YCMKNJLSQACMTL-MWLCHTKSSA-N 0 1 177.247 1.736 10 0 ADAEMN Cc1[nH]c(C(C)C)[nH+]c1C(=O)[O-] 71494014 572834304 /nfs/dbraw/zinc/83/43/04/572834304.db2.gz LWXBPQJXKNSSEZ-UHFFFAOYSA-N 0 1 168.196 1.540 10 0 ADAEMN Cc1[nH+]c(C(C)C)[nH]c1CC(=O)[O-] 71494016 572833999 /nfs/dbraw/zinc/83/39/99/572833999.db2.gz VVOVLDRNQNWVKR-UHFFFAOYSA-N 0 1 182.223 1.469 10 0 ADAEMN C[C@@H]1OCCN[C@@H]1c1ccccc1 71497314 572834520 /nfs/dbraw/zinc/83/45/20/572834520.db2.gz YCMKNJLSQACMTL-ONGXEEELSA-N 0 1 177.247 1.736 10 0 ADAEMN CCN(C)Cc1cc(C)c(C(C)=O)[nH]1 75393798 572834596 /nfs/dbraw/zinc/83/45/96/572834596.db2.gz TXFHZGUBHOFSHG-UHFFFAOYSA-N 0 1 194.278 1.977 10 0 ADAEMN COc1ccc([C@@H](N)C=C(C)C)nn1 234868120 572835115 /nfs/dbraw/zinc/83/51/15/572835115.db2.gz HHPQANDQWCEMEU-QMMMGPOBSA-N 0 1 193.250 1.451 10 0 ADAEMN CC(C)[C@H](N)C(=O)c1ccncc1 71497543 572835362 /nfs/dbraw/zinc/83/53/62/572835362.db2.gz VRGMUVUEGFQVGU-VIFPVBQESA-N 0 1 178.235 1.248 10 0 ADAEMN CC[C@@H](C(=O)[O-])[C@@H]1CC[N@@H+](CC)C1 714347283 572835510 /nfs/dbraw/zinc/83/55/10/572835510.db2.gz LQUDKUFPKYURFR-RKDXNWHRSA-N 0 1 185.267 1.439 10 0 ADAEMN CC(=O)c1cc2conc2[nH]1 75393395 572835581 /nfs/dbraw/zinc/83/55/81/572835581.db2.gz DYCRWFLCLGAZNV-UHFFFAOYSA-N 0 1 150.137 1.359 10 0 ADAEMN Cc1nc(-c2ccncc2)[nH]c1C=O 71499996 572835742 /nfs/dbraw/zinc/83/57/42/572835742.db2.gz QBZBOLWYIJZVIT-UHFFFAOYSA-N 0 1 187.202 1.593 10 0 ADAEMN CC(C)[C@@H](N)C(=O)c1ccn(C)c1 71498410 572835918 /nfs/dbraw/zinc/83/59/18/572835918.db2.gz YTOSQTMVNRRFSY-SECBINFHSA-N 0 1 180.251 1.191 10 0 ADAEMN CNCC(=O)c1ccc(F)cc1F 71499633 572836081 /nfs/dbraw/zinc/83/60/81/572836081.db2.gz GBAFYJNWWNJUMN-UHFFFAOYSA-N 0 1 185.173 1.367 10 0 ADAEMN CC(=O)c1cc2ncoc2[nH]1 75393393 572836162 /nfs/dbraw/zinc/83/61/62/572836162.db2.gz OPKZAQVFVAVISG-UHFFFAOYSA-N 0 1 150.137 1.359 10 0 ADAEMN CC(C)[C@H](N)C(=O)c1ccn(C)c1 71498406 572836180 /nfs/dbraw/zinc/83/61/80/572836180.db2.gz YTOSQTMVNRRFSY-VIFPVBQESA-N 0 1 180.251 1.191 10 0 ADAEMN Cc1ccccc1-n1ccnc1CN 71500058 572836197 /nfs/dbraw/zinc/83/61/97/572836197.db2.gz UGCDGECNOUUSCV-UHFFFAOYSA-N 0 1 187.246 1.639 10 0 ADAEMN Cc1cc(-c2cc[nH]c2)nc(CN)n1 71500208 572836330 /nfs/dbraw/zinc/83/63/30/572836330.db2.gz CRTUBJLMSDZZMX-UHFFFAOYSA-N 0 1 188.234 1.239 10 0 ADAEMN CN(C)CC(=O)CC1(C)CCC1 307955660 572836443 /nfs/dbraw/zinc/83/64/43/572836443.db2.gz FGLFIOSRNQKQJX-UHFFFAOYSA-N 0 1 169.268 1.697 10 0 ADAEMN [NH3+][C@@H]1CC(=O)c2cc([O-])cc(F)c21 713763964 572836680 /nfs/dbraw/zinc/83/66/80/572836680.db2.gz XBJYVDUSXUGJJA-SSDOTTSWSA-N 0 1 181.166 1.118 10 0 ADAEMN CCOCOc1ccc(C)nc1CN 85972444 572836749 /nfs/dbraw/zinc/83/67/49/572836749.db2.gz AMWHETCIRWVWIC-UHFFFAOYSA-N 0 1 196.250 1.222 10 0 ADAEMN Cc1ccc(OCC2CC2)c(CN)n1 85972031 572836757 /nfs/dbraw/zinc/83/67/57/572836757.db2.gz NSWRWKZTNLJBOS-UHFFFAOYSA-N 0 1 192.262 1.638 10 0 ADAEMN Cc1ccc(OCC(C)C)c(CN)n1 85971976 572836938 /nfs/dbraw/zinc/83/69/38/572836938.db2.gz CPMKCTLSCVLZTA-UHFFFAOYSA-N 0 1 194.278 1.884 10 0 ADAEMN Cc1cccc(-n2ccnc2CN)c1 71500060 572837003 /nfs/dbraw/zinc/83/70/03/572837003.db2.gz SGFODVBGXAVSFX-UHFFFAOYSA-N 0 1 187.246 1.639 10 0 ADAEMN Cc1coc(-c2cc(CN)sn2)n1 75396477 572838205 /nfs/dbraw/zinc/83/82/05/572838205.db2.gz AUMQLBLOJPXLRW-UHFFFAOYSA-N 0 1 195.247 1.565 10 0 ADAEMN C[C@@H]1CCN(C/C=C/Cl)C[C@H]1O 299891403 572837102 /nfs/dbraw/zinc/83/71/02/572837102.db2.gz RAVDOTZMFLQSMR-HBMQMAGWSA-N 0 1 189.686 1.442 10 0 ADAEMN CC1(C)CN[C@H](c2ccncc2)O1 71497536 572837063 /nfs/dbraw/zinc/83/70/63/572837063.db2.gz BVAPKGAHVJCMKX-VIFPVBQESA-N 0 1 178.235 1.479 10 0 ADAEMN C[C@@H]1C[N@@H+]([C@@H](C)CCC(=O)[O-])C[C@@H]1C 86010571 572837073 /nfs/dbraw/zinc/83/70/73/572837073.db2.gz JSSSLDZMTGTISJ-AEJSXWLSSA-N 0 1 199.294 1.828 10 0 ADAEMN CC(C)[C@H](N)C(=O)c1cccnc1 71497531 572837496 /nfs/dbraw/zinc/83/74/96/572837496.db2.gz ISSKROMNMREVLR-VIFPVBQESA-N 0 1 178.235 1.248 10 0 ADAEMN NCc1cc(-c2cncs2)ns1 75396490 572837107 /nfs/dbraw/zinc/83/71/07/572837107.db2.gz KJFXZMCRRAOIKW-UHFFFAOYSA-N 0 1 197.288 1.725 10 0 ADAEMN NCc1cc(-c2cscn2)ns1 75396452 572837128 /nfs/dbraw/zinc/83/71/28/572837128.db2.gz VXXKGNFNZLJHQZ-UHFFFAOYSA-N 0 1 197.288 1.725 10 0 ADAEMN Cc1n[nH]cc1-c1cc(CN)sn1 75396469 572837166 /nfs/dbraw/zinc/83/71/66/572837166.db2.gz RMZXNFCNGVZHQL-UHFFFAOYSA-N 0 1 194.263 1.300 10 0 ADAEMN Cn1ccc(-c2cc(CN)sn2)c1 75396450 572837181 /nfs/dbraw/zinc/83/71/81/572837181.db2.gz WCJJFODSCYMJGV-UHFFFAOYSA-N 0 1 193.275 1.607 10 0 ADAEMN CC(C)[C@@H](N)C(=O)c1cccnc1 71497534 572837342 /nfs/dbraw/zinc/83/73/42/572837342.db2.gz ISSKROMNMREVLR-SECBINFHSA-N 0 1 178.235 1.248 10 0 ADAEMN CC1(C)CN[C@H](c2cccnc2)O1 71497523 572837439 /nfs/dbraw/zinc/83/74/39/572837439.db2.gz MXMNFISOEKNRIE-VIFPVBQESA-N 0 1 178.235 1.479 10 0 ADAEMN C/C=C/COc1ccc(C)nc1CN 85972441 572837587 /nfs/dbraw/zinc/83/75/87/572837587.db2.gz AOCHEUODNBNCAI-ONEGZZNKSA-N 0 1 192.262 1.804 10 0 ADAEMN Cc1conc1-c1cc(CN)sn1 75396461 572837597 /nfs/dbraw/zinc/83/75/97/572837597.db2.gz BFNVVDJDTJICAZ-UHFFFAOYSA-N 0 1 195.247 1.565 10 0 ADAEMN CC1(C)NCCO[C@H]1c1ccco1 71498784 572837615 /nfs/dbraw/zinc/83/76/15/572837615.db2.gz LBDSAQSUHUHJRP-VIFPVBQESA-N 0 1 181.235 1.719 10 0 ADAEMN Cc1ccc(-n2ccnc2CN)cc1 71500061 572837683 /nfs/dbraw/zinc/83/76/83/572837683.db2.gz KFRAKOHOWVVVMK-UHFFFAOYSA-N 0 1 187.246 1.639 10 0 ADAEMN C[C@H]1CCN(C/C=C/Cl)C[C@H]1O 299891404 572837763 /nfs/dbraw/zinc/83/77/63/572837763.db2.gz RAVDOTZMFLQSMR-NGWLPCGSSA-N 0 1 189.686 1.442 10 0 ADAEMN Cc1ncc(-c2cc(CN)sn2)o1 75396492 572837764 /nfs/dbraw/zinc/83/77/64/572837764.db2.gz JCABJCZGCBRZOR-UHFFFAOYSA-N 0 1 195.247 1.565 10 0 ADAEMN CC1(C)CN[C@@H](c2cccnc2)O1 71497525 572837786 /nfs/dbraw/zinc/83/77/86/572837786.db2.gz MXMNFISOEKNRIE-SECBINFHSA-N 0 1 178.235 1.479 10 0 ADAEMN CC(C)OCCN(C)[C@H]1CCCC1=O 87978581 572837859 /nfs/dbraw/zinc/83/78/59/572837859.db2.gz AYZYKYZGQPMHAS-JTQLQIEISA-N 0 1 199.294 1.465 10 0 ADAEMN Cc1cc(-c2cc(CN)sn2)no1 75396459 572837916 /nfs/dbraw/zinc/83/79/16/572837916.db2.gz VNTYKUDWKRTCOY-UHFFFAOYSA-N 0 1 195.247 1.565 10 0 ADAEMN CC1(C)CN[C@@H](c2ccncc2)O1 71497538 572837959 /nfs/dbraw/zinc/83/79/59/572837959.db2.gz BVAPKGAHVJCMKX-SECBINFHSA-N 0 1 178.235 1.479 10 0 ADAEMN Cc1nocc1-c1cc(CN)sn1 75396465 572838307 /nfs/dbraw/zinc/83/83/07/572838307.db2.gz ORJDAPCCUHSKOK-UHFFFAOYSA-N 0 1 195.247 1.565 10 0 ADAEMN Cc1c[nH]nc1-c1cc(CN)sn1 75396482 572838405 /nfs/dbraw/zinc/83/84/05/572838405.db2.gz HIJBLTHFBHFDAZ-UHFFFAOYSA-N 0 1 194.263 1.300 10 0 ADAEMN CCOC[C@H](N)c1sccc1F 307957114 572838449 /nfs/dbraw/zinc/83/84/49/572838449.db2.gz GTBZWYNBVGFBGQ-ZETCQYMHSA-N 0 1 189.255 1.924 10 0 ADAEMN CC(C)OCCN(C)[C@@H]1CCCC1=O 87978580 572838467 /nfs/dbraw/zinc/83/84/67/572838467.db2.gz AYZYKYZGQPMHAS-SNVBAGLBSA-N 0 1 199.294 1.465 10 0 ADAEMN Cc1cnc(-c2cc(CN)sn2)o1 75396478 572838535 /nfs/dbraw/zinc/83/85/35/572838535.db2.gz PQIFEBHWSLWGMZ-UHFFFAOYSA-N 0 1 195.247 1.565 10 0 ADAEMN CC(C)[C@@H](N)C(=O)c1ccccn1 71497521 572838548 /nfs/dbraw/zinc/83/85/48/572838548.db2.gz WKNJZVWECIEAMD-SECBINFHSA-N 0 1 178.235 1.248 10 0 ADAEMN CC(C)[C@@H](N)C(=O)c1ccncc1 71497544 572838637 /nfs/dbraw/zinc/83/86/37/572838637.db2.gz VRGMUVUEGFQVGU-SECBINFHSA-N 0 1 178.235 1.248 10 0 ADAEMN NCc1cc(-c2cnco2)ns1 75396494 572838719 /nfs/dbraw/zinc/83/87/19/572838719.db2.gz SOINEQGKQPIKLV-UHFFFAOYSA-N 0 1 181.220 1.257 10 0 ADAEMN CNCc1nc(C)ccc1OCOC 85972621 572838928 /nfs/dbraw/zinc/83/89/28/572838928.db2.gz QZEIQYRWUOHTMT-UHFFFAOYSA-N 0 1 196.250 1.092 10 0 ADAEMN Cc1ncoc1-c1cc(CN)sn1 75396495 572839119 /nfs/dbraw/zinc/83/91/19/572839119.db2.gz CEYQBMKSWYDEJX-UHFFFAOYSA-N 0 1 195.247 1.565 10 0 ADAEMN COC[C@@H](C)NC/C(Cl)=C/Cl 85976952 572839132 /nfs/dbraw/zinc/83/91/32/572839132.db2.gz OCPPVDOLTLMBIB-NPQKIFFKSA-N 0 1 198.093 1.930 10 0 ADAEMN CCCOc1ccc(C)nc1CN 85972071 572839173 /nfs/dbraw/zinc/83/91/73/572839173.db2.gz RISZHMCQXWYWIP-UHFFFAOYSA-N 0 1 180.251 1.638 10 0 ADAEMN COC[C@H](C)NC/C(Cl)=C/Cl 85976948 572839189 /nfs/dbraw/zinc/83/91/89/572839189.db2.gz OCPPVDOLTLMBIB-PJGJZCPTSA-N 0 1 198.093 1.930 10 0 ADAEMN NCc1cc(-c2ccco2)ns1 75396438 572839225 /nfs/dbraw/zinc/83/92/25/572839225.db2.gz PPDUCFDWZKIUAW-UHFFFAOYSA-N 0 1 180.232 1.862 10 0 ADAEMN NCc1cc(-c2cnoc2)ns1 75396464 572839621 /nfs/dbraw/zinc/83/96/21/572839621.db2.gz FACWMZINPPGBDX-UHFFFAOYSA-N 0 1 181.220 1.257 10 0 ADAEMN C[C@@H]1CN[C@@H](c2cccc(F)c2)CO1 71506995 572839451 /nfs/dbraw/zinc/83/94/51/572839451.db2.gz ZQDPSHCSGITPDV-LDYMZIIASA-N 0 1 195.237 1.875 10 0 ADAEMN c1ccc(OC[C@@H]2COCCN2)cc1 71506269 572840492 /nfs/dbraw/zinc/84/04/92/572840492.db2.gz VQGQNDNMOQSHSM-JTQLQIEISA-N 0 1 193.246 1.054 10 0 ADAEMN Cn1cc(-c2cc(CN)sn2)cn1 75396468 572839889 /nfs/dbraw/zinc/83/98/89/572839889.db2.gz UTEXAHRASVQPIQ-UHFFFAOYSA-N 0 1 194.263 1.002 10 0 ADAEMN CC[C@H](C(=O)[O-])[C@@H]1CC[N@H+]2CCC[C@H]12 714349687 572839899 /nfs/dbraw/zinc/83/98/99/572839899.db2.gz JWCFMVKJAYEVSJ-LPEHRKFASA-N 0 1 197.278 1.582 10 0 ADAEMN CCNCc1ncoc1[C@@H]1C[C@H]1C 85940602 572841063 /nfs/dbraw/zinc/84/10/63/572841063.db2.gz IASBGBFNMJOXNB-HTQZYQBOSA-N 0 1 180.251 1.908 10 0 ADAEMN Cc1onc(CN)c1N1CCCCC1 75397708 572839998 /nfs/dbraw/zinc/83/99/98/572839998.db2.gz SAGYAAVZIJCXNF-UHFFFAOYSA-N 0 1 195.266 1.432 10 0 ADAEMN Cc1cc(-c2cc(CN)sn2)n[nH]1 75396484 572840095 /nfs/dbraw/zinc/84/00/95/572840095.db2.gz QGAWNAPZBPDMOQ-UHFFFAOYSA-N 0 1 194.263 1.300 10 0 ADAEMN NCc1cc(-c2ccon2)ns1 75396460 572840113 /nfs/dbraw/zinc/84/01/13/572840113.db2.gz NZSKUGYTJBGMQA-UHFFFAOYSA-N 0 1 181.220 1.257 10 0 ADAEMN CCOCc1ocnc1CNC(C)C 85941292 572840161 /nfs/dbraw/zinc/84/01/61/572840161.db2.gz RQMYCVAGOGDPEO-UHFFFAOYSA-N 0 1 198.266 1.709 10 0 ADAEMN CCCOCCc1ocnc1CN 85939903 572840194 /nfs/dbraw/zinc/84/01/94/572840194.db2.gz DMSSZTHCGXZZFZ-UHFFFAOYSA-N 0 1 184.239 1.102 10 0 ADAEMN COCCc1ocnc1CNC(C)C 85941354 572840351 /nfs/dbraw/zinc/84/03/51/572840351.db2.gz NVJYFLOCUFVAGG-UHFFFAOYSA-N 0 1 198.266 1.362 10 0 ADAEMN c1ccc(OC[C@H]2COCCN2)cc1 71506270 572840352 /nfs/dbraw/zinc/84/03/52/572840352.db2.gz VQGQNDNMOQSHSM-SNVBAGLBSA-N 0 1 193.246 1.054 10 0 ADAEMN CC1(C)NCCO[C@@H]1c1ccccn1 71506137 572840413 /nfs/dbraw/zinc/84/04/13/572840413.db2.gz QSDCGVYASPGSMJ-SNVBAGLBSA-N 0 1 192.262 1.521 10 0 ADAEMN COCc1ocnc1CNCC(C)C 85941769 572840456 /nfs/dbraw/zinc/84/04/56/572840456.db2.gz JWBUYTVAKIJYET-UHFFFAOYSA-N 0 1 198.266 1.567 10 0 ADAEMN COc1ccccc1CCC(=O)CN 71506342 572840503 /nfs/dbraw/zinc/84/05/03/572840503.db2.gz SYHGCWJVQZWOSG-UHFFFAOYSA-N 0 1 193.246 1.156 10 0 ADAEMN CNCc1ncoc1C[C@@H]1CCCO1 85940232 572840523 /nfs/dbraw/zinc/84/05/23/572840523.db2.gz GBDLKWHFEODULA-QMMMGPOBSA-N 0 1 196.250 1.116 10 0 ADAEMN CCOCCNc1cc(C)c(N)cn1 86002069 572840535 /nfs/dbraw/zinc/84/05/35/572840535.db2.gz MIILQHPTHGQNKJ-UHFFFAOYSA-N 0 1 195.266 1.421 10 0 ADAEMN O=C([O-])/C=C1\CC[N@H+]2CCCC[C@H]2C1 71482015 572840584 /nfs/dbraw/zinc/84/05/84/572840584.db2.gz VXIUFHMUFKAGSH-DDXVTDLHSA-N 0 1 195.262 1.646 10 0 ADAEMN C[C@@H]1CN[C@H](c2cccc(F)c2)CO1 71506993 572840589 /nfs/dbraw/zinc/84/05/89/572840589.db2.gz ZQDPSHCSGITPDV-KCJUWKMLSA-N 0 1 195.237 1.875 10 0 ADAEMN CC(C)(O)c1nnc(C2CCCC2)[nH]1 50039598 572840594 /nfs/dbraw/zinc/84/05/94/572840594.db2.gz SFEDTCQBLRBISW-UHFFFAOYSA-N 0 1 195.266 1.690 10 0 ADAEMN CC(C)(O)c1nc(C2CCCC2)n[nH]1 50039598 572840600 /nfs/dbraw/zinc/84/06/00/572840600.db2.gz SFEDTCQBLRBISW-UHFFFAOYSA-N 0 1 195.266 1.690 10 0 ADAEMN NCc1ncoc1CCC(F)(F)F 85939842 572840659 /nfs/dbraw/zinc/84/06/59/572840659.db2.gz OQGVGPSDRRMGFH-UHFFFAOYSA-N 0 1 194.156 1.628 10 0 ADAEMN CCc1ocnc1CNC(C)C 85941147 572840679 /nfs/dbraw/zinc/84/06/79/572840679.db2.gz MWTXSQOWJMQNIE-UHFFFAOYSA-N 0 1 168.240 1.735 10 0 ADAEMN C=Cc1ccc2c(c1)[C@](C)(N)C(=O)N2 713768105 572840763 /nfs/dbraw/zinc/84/07/63/572840763.db2.gz OLCQWQOJDCACKZ-NSHDSACASA-N 0 1 188.230 1.456 10 0 ADAEMN NCc1ncoc1CCc1ccco1 85939801 572840913 /nfs/dbraw/zinc/84/09/13/572840913.db2.gz JCCSRFJVGSTTMP-UHFFFAOYSA-N 0 1 192.218 1.512 10 0 ADAEMN C[C@@H]1NCCc2nc(C3CC3)oc21 75405571 572841078 /nfs/dbraw/zinc/84/10/78/572841078.db2.gz QBMVHNKVCDJNNK-LURJTMIESA-N 0 1 178.235 1.759 10 0 ADAEMN C[C@H]1NCCc2nc(C3CC3)oc21 75405570 572841092 /nfs/dbraw/zinc/84/10/92/572841092.db2.gz QBMVHNKVCDJNNK-ZCFIWIBFSA-N 0 1 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PBKNLNINQWAYDM-UHFFFAOYSA-N 0 1 191.186 1.959 10 0 ADAEMN C[C@@H](O)c1nccn1-c1ccncc1 75853000 572901147 /nfs/dbraw/zinc/90/11/47/572901147.db2.gz KPVKVCSVLMVUDU-MRVPVSSYSA-N 0 1 189.218 1.321 10 0 ADAEMN CCC(CC)[N@H+]1CC[C@H](C(=O)[O-])[C@@H]1C 86270197 572901540 /nfs/dbraw/zinc/90/15/40/572901540.db2.gz ACGXKSKDSGDGAJ-WPRPVWTQSA-N 0 1 199.294 1.970 10 0 ADAEMN CC[C@H](C)[C@H](C)n1nnnc1[C@H](C)N 299967320 572901758 /nfs/dbraw/zinc/90/17/58/572901758.db2.gz WBWTUYXORFMMNR-FXQIFTODSA-N 0 1 197.286 1.300 10 0 ADAEMN COCc1cc([C@H](N)C(C)C)on1 308177472 572902314 /nfs/dbraw/zinc/90/23/14/572902314.db2.gz AZAGYKXLQFCOQT-SECBINFHSA-N 0 1 184.239 1.477 10 0 ADAEMN CCC(CC)[N@H+]1CC[C@@H](C(=O)[O-])[C@@H]1C 86270198 572901899 /nfs/dbraw/zinc/90/18/99/572901899.db2.gz ACGXKSKDSGDGAJ-WCBMZHEXSA-N 0 1 199.294 1.970 10 0 ADAEMN CCC(=O)[C@H](C)[N@@H+](C)C[C@H](C)OC 308178073 572902134 /nfs/dbraw/zinc/90/21/34/572902134.db2.gz BENVFTVYSYRPLC-IUCAKERBSA-N 0 1 187.283 1.321 10 0 ADAEMN CCC(=O)[C@H](C)N(C)C[C@H](C)OC 308178073 572902136 /nfs/dbraw/zinc/90/21/36/572902136.db2.gz BENVFTVYSYRPLC-IUCAKERBSA-N 0 1 187.283 1.321 10 0 ADAEMN COCc1cc([C@@H](N)C(C)C)on1 308177473 572902457 /nfs/dbraw/zinc/90/24/57/572902457.db2.gz AZAGYKXLQFCOQT-VIFPVBQESA-N 0 1 184.239 1.477 10 0 ADAEMN CC(C)[C@H](N)c1ncco1 75854402 572902434 /nfs/dbraw/zinc/90/24/34/572902434.db2.gz HEZMGWXCUGSOJE-LURJTMIESA-N 0 1 140.186 1.330 10 0 ADAEMN CCC(=O)[C@@H](C)[N@@H+](C)C[C@@H](C)OC 308178081 572902509 /nfs/dbraw/zinc/90/25/09/572902509.db2.gz BENVFTVYSYRPLC-RKDXNWHRSA-N 0 1 187.283 1.321 10 0 ADAEMN CCC(=O)[C@@H](C)N(C)C[C@@H](C)OC 308178081 572902512 /nfs/dbraw/zinc/90/25/12/572902512.db2.gz BENVFTVYSYRPLC-RKDXNWHRSA-N 0 1 187.283 1.321 10 0 ADAEMN CCC(=O)[C@H](C)[N@@H+](C)C[C@@H](C)OC 308178054 572902829 /nfs/dbraw/zinc/90/28/29/572902829.db2.gz BENVFTVYSYRPLC-BDAKNGLRSA-N 0 1 187.283 1.321 10 0 ADAEMN CCC(=O)[C@H](C)N(C)C[C@@H](C)OC 308178054 572902833 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86276405 572903597 /nfs/dbraw/zinc/90/35/97/572903597.db2.gz ILERZMYDIOPYGQ-UHFFFAOYSA-N 0 1 187.283 1.180 10 0 ADAEMN COC[C@@H](C)N(C)CC(=O)C(C)C 86276408 572903543 /nfs/dbraw/zinc/90/35/43/572903543.db2.gz VLGXLBUNWUOIFM-SECBINFHSA-N 0 1 187.283 1.178 10 0 ADAEMN Cc1nc2cc(N(C)C)ccc2n1C 75838655 572903929 /nfs/dbraw/zinc/90/39/29/572903929.db2.gz GTMFNMRUSUBFKU-UHFFFAOYSA-N 0 1 189.262 1.948 10 0 ADAEMN CCOCCC(O)=CC(=O)C1CCC1 379037421 572904092 /nfs/dbraw/zinc/90/40/92/572904092.db2.gz DHFJBHRZAUBZGN-UHFFFAOYSA-N 0 1 198.262 1.741 10 0 ADAEMN CO[C@H](C)CN(C)[C@H]1CCCC1=O 308179622 572904111 /nfs/dbraw/zinc/90/41/11/572904111.db2.gz BTUCJBRFLUHWNY-BDAKNGLRSA-N 0 1 185.267 1.075 10 0 ADAEMN CO[C@H](C)CN(C)[C@@H]1CCCC1=O 308179625 572904448 /nfs/dbraw/zinc/90/44/48/572904448.db2.gz BTUCJBRFLUHWNY-RKDXNWHRSA-N 0 1 185.267 1.075 10 0 ADAEMN C[C@@H](N)c1nc2cc(N)ccc2s1 75845130 572904506 /nfs/dbraw/zinc/90/45/06/572904506.db2.gz AOWCUEUKIIWIAE-RXMQYKEDSA-N 0 1 193.275 1.898 10 0 ADAEMN CO[C@@H](C)CN(C)[C@H]1CCCC1=O 308179624 572905122 /nfs/dbraw/zinc/90/51/22/572905122.db2.gz BTUCJBRFLUHWNY-IUCAKERBSA-N 0 1 185.267 1.075 10 0 ADAEMN C[C@H](N)c1nc2ccc(N)cc2s1 75845103 572904616 /nfs/dbraw/zinc/90/46/16/572904616.db2.gz LVUGFTGABKWEQW-YFKPBYRVSA-N 0 1 193.275 1.898 10 0 ADAEMN Cc1[nH]ncc1C1(O)CCCC1 75846612 572904640 /nfs/dbraw/zinc/90/46/40/572904640.db2.gz KMPQEMNFXGEFNE-UHFFFAOYSA-N 0 1 166.224 1.480 10 0 ADAEMN CC(C)C(=O)CN1CCCC[C@H]1CO 86276589 572904820 /nfs/dbraw/zinc/90/48/20/572904820.db2.gz CTHXSQDWESIXQV-JTQLQIEISA-N 0 1 199.294 1.058 10 0 ADAEMN CCCN(C)CC(=O)C(C)C 86276325 572904992 /nfs/dbraw/zinc/90/49/92/572904992.db2.gz AOABOHJTLBXGBV-UHFFFAOYSA-N 0 1 157.257 1.553 10 0 ADAEMN CO[C@@H](C)CN(C)[C@@H]1CCCC1=O 308179623 572904995 /nfs/dbraw/zinc/90/49/95/572904995.db2.gz BTUCJBRFLUHWNY-DTWKUNHWSA-N 0 1 185.267 1.075 10 0 ADAEMN Cc1[nH]ncc1[C@](C)(O)C(F)(F)F 75846227 572905027 /nfs/dbraw/zinc/90/50/27/572905027.db2.gz AKTPPMWDHZOWHT-LURJTMIESA-N 0 1 194.156 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BZZLNJZLJYRNIU-MRVPVSSYSA-N 0 1 182.271 1.122 10 0 ADAEMN COc1ccc2nc(CN)n(C)c2c1 75844869 572906556 /nfs/dbraw/zinc/90/65/56/572906556.db2.gz DFWBWTIPUCQVAK-UHFFFAOYSA-N 0 1 191.234 1.041 10 0 ADAEMN CN[C@@H](CC(C)C)c1ncnn1C 308180412 572906720 /nfs/dbraw/zinc/90/67/20/572906720.db2.gz BZZLNJZLJYRNIU-QMMMGPOBSA-N 0 1 182.271 1.122 10 0 ADAEMN CSc1nnc([C@H](C)N)n1C1CC1 75845274 572906903 /nfs/dbraw/zinc/90/69/03/572906903.db2.gz PZRZFFRWCKSOLV-YFKPBYRVSA-N 0 1 198.295 1.355 10 0 ADAEMN CCSCCN[C@@H](C)c1cc[nH]n1 308181547 572907118 /nfs/dbraw/zinc/90/71/18/572907118.db2.gz CQGNZDWQXAURKH-QMMMGPOBSA-N 0 1 199.323 1.813 10 0 ADAEMN Cc1ccc([C@@H](N)c2ccncc2)nc1 75871501 572907345 /nfs/dbraw/zinc/90/73/45/572907345.db2.gz KLDMROJJNDXLIN-LBPRGKRZSA-N 0 1 199.257 1.833 10 0 ADAEMN Cc1ccc([C@H](N)c2ccncc2)nc1 75871500 572907565 /nfs/dbraw/zinc/90/75/65/572907565.db2.gz KLDMROJJNDXLIN-GFCCVEGCSA-N 0 1 199.257 1.833 10 0 ADAEMN CCc1[nH+]ccn1[C@@H](C)[C@@H](C)C(=O)[O-] 86295959 572907983 /nfs/dbraw/zinc/90/79/83/572907983.db2.gz CWRSYCZHPXHMDE-SFYZADRCSA-N 0 1 196.250 1.727 10 0 ADAEMN CC(C)[N@@H+](C)[C@H]1CC[C@@H](C(=O)[O-])C1 250508706 572908154 /nfs/dbraw/zinc/90/81/54/572908154.db2.gz OFELVAWLFHBCIW-BDAKNGLRSA-N 0 1 185.267 1.580 10 0 ADAEMN CCc1[nH+]ccn1[C@H](C)[C@@H](C)C(=O)[O-] 86295961 572908250 /nfs/dbraw/zinc/90/82/50/572908250.db2.gz CWRSYCZHPXHMDE-HTQZYQBOSA-N 0 1 196.250 1.727 10 0 ADAEMN CCc1[nH+]ccn1[C@H](C)[C@H](C)C(=O)[O-] 86295966 572908340 /nfs/dbraw/zinc/90/83/40/572908340.db2.gz CWRSYCZHPXHMDE-JGVFFNPUSA-N 0 1 196.250 1.727 10 0 ADAEMN COCCCN1CCC(=O)[C@@H](C)[C@H]1C 86303465 572908768 /nfs/dbraw/zinc/90/87/68/572908768.db2.gz PJFFGOMBLOONLJ-VHSXEESVSA-N 0 1 199.294 1.322 10 0 ADAEMN CC(C)[N@@H+](C)[C@@H]1CC[C@@H](C(=O)[O-])C1 250508710 572908812 /nfs/dbraw/zinc/90/88/12/572908812.db2.gz OFELVAWLFHBCIW-RKDXNWHRSA-N 0 1 185.267 1.580 10 0 ADAEMN CC[N@@H+](C(C)C)[C@@H](C)[C@@H](C)C(=O)[O-] 86306154 572908821 /nfs/dbraw/zinc/90/88/21/572908821.db2.gz MIEOIYJCKPTQIZ-BDAKNGLRSA-N 0 1 187.283 1.826 10 0 ADAEMN CCCn1ncnc1[C@H](CC)NC 308183943 572908855 /nfs/dbraw/zinc/90/88/55/572908855.db2.gz DRZZRQQVZHMBPV-QMMMGPOBSA-N 0 1 182.271 1.359 10 0 ADAEMN CC[C@@H]1CCC[N@H+]1[C@@H](C)[C@@H](C)C(=O)[O-] 86306679 572908916 /nfs/dbraw/zinc/90/89/16/572908916.db2.gz SJIBNHFOPBKASN-KXUCPTDWSA-N 0 1 199.294 1.970 10 0 ADAEMN CC(C)[N@@H+](C)[C@H]1CC[C@@H](CC(=O)[O-])C1 250493078 572909029 /nfs/dbraw/zinc/90/90/29/572909029.db2.gz HXHOHZWJNKXJTG-ZJUUUORDSA-N 0 1 199.294 1.970 10 0 ADAEMN CC[N@@H+](CC1CC1)[C@H](C)[C@@H](C)C(=O)[O-] 86308000 572909141 /nfs/dbraw/zinc/90/91/41/572909141.db2.gz PTRICOUPVFYXCI-RKDXNWHRSA-N 0 1 199.294 1.828 10 0 ADAEMN CC[N@H+](C1CC1)[C@H](C)[C@@H](C)C(=O)[O-] 86306132 572909167 /nfs/dbraw/zinc/90/91/67/572909167.db2.gz CROBQJKXKIJOPO-HTQZYQBOSA-N 0 1 185.267 1.580 10 0 ADAEMN C[N@@H+](C1CC1)[C@H]1CC[C@@H](C(=O)[O-])C1 250492155 572909220 /nfs/dbraw/zinc/90/92/20/572909220.db2.gz YGGYSGGAXOMTQO-APPZFPTMSA-N 0 1 183.251 1.334 10 0 ADAEMN CC[C@H](C)[N@@H+](C)[C@@H](C)[C@@H](C)C(=O)[O-] 86306233 572909236 /nfs/dbraw/zinc/90/92/36/572909236.db2.gz PVKLMILRTOAFKW-YIZRAAEISA-N 0 1 187.283 1.826 10 0 ADAEMN CC[N@H+](C1CC1)[C@@H](C)[C@@H](C)C(=O)[O-] 86306130 572909288 /nfs/dbraw/zinc/90/92/88/572909288.db2.gz CROBQJKXKIJOPO-SFYZADRCSA-N 0 1 185.267 1.580 10 0 ADAEMN CCC[N@@H+](C)[C@@H](C)[C@@H](C)C(=O)[O-] 86306215 572909303 /nfs/dbraw/zinc/90/93/03/572909303.db2.gz UHTWIPDWYCGPJR-SFYZADRCSA-N 0 1 173.256 1.437 10 0 ADAEMN C[C@@H]([C@@H](C)C(=O)[O-])[N@@H+](C)C1CCCC1 86306183 572910809 /nfs/dbraw/zinc/91/08/09/572910809.db2.gz AZCUFNKYPWYPTL-BDAKNGLRSA-N 0 1 199.294 1.970 10 0 ADAEMN C[C@@H](C(=O)[O-])[C@@H](C)[N@@H+](C)CC1CC1 86306693 572909490 /nfs/dbraw/zinc/90/94/90/572909490.db2.gz AEGKMEOFVCTNCM-HTQZYQBOSA-N 0 1 185.267 1.437 10 0 ADAEMN C[C@@H]([C@@H](C)C(=O)[O-])[N@@H+](C)C[C@H]1C[C@H]1C 86307987 572909554 /nfs/dbraw/zinc/90/95/54/572909554.db2.gz VAUZCTKWDHWBTP-DOLQZWNJSA-N 0 1 199.294 1.683 10 0 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ARYTUZDKUNMLNA-POYBYMJQSA-N 0 1 180.251 1.204 10 0 ADAEMN Cc1nc2c([nH]1)CC[C@@H]([C@H](C)O)C2 76089396 572943897 /nfs/dbraw/zinc/94/38/97/572943897.db2.gz ARYTUZDKUNMLNA-POYBYMJQSA-N 0 1 180.251 1.204 10 0 ADAEMN CC(C)C[C@@H](C)OC(=O)C1(N)CCC1 88049245 572944355 /nfs/dbraw/zinc/94/43/55/572944355.db2.gz IKOMBQHCIKCBJG-SECBINFHSA-N 0 1 199.294 1.846 10 0 ADAEMN CC(C)COC(=O)C1(N)CCC1 88049262 572944449 /nfs/dbraw/zinc/94/44/49/572944449.db2.gz WDRYSZXWSQWHMX-UHFFFAOYSA-N 0 1 171.240 1.067 10 0 ADAEMN C[C@H]1CC[N@H+]1CC1(CC(=O)[O-])CCC1 88049485 572944366 /nfs/dbraw/zinc/94/43/66/572944366.db2.gz UZHUVOXILWDNIV-VIFPVBQESA-N 0 1 197.278 1.726 10 0 ADAEMN CCC(CC)N(C)C(=O)CN(C)C 308207875 572944424 /nfs/dbraw/zinc/94/44/24/572944424.db2.gz DMBXEKPPWADBNX-UHFFFAOYSA-N 0 1 186.299 1.195 10 0 ADAEMN Cc1nc2c([nH]1)[C@H](CO)CCC2 76089280 572944501 /nfs/dbraw/zinc/94/45/01/572944501.db2.gz HEZJQVQFCXQXJJ-ZETCQYMHSA-N 0 1 166.224 1.130 10 0 ADAEMN Cc1nc2c([nH]1)CCC[C@H]2CO 76089280 572944503 /nfs/dbraw/zinc/94/45/03/572944503.db2.gz HEZJQVQFCXQXJJ-ZETCQYMHSA-N 0 1 166.224 1.130 10 0 ADAEMN CCCCOC(=O)C1(N)CCC1 88049228 572944543 /nfs/dbraw/zinc/94/45/43/572944543.db2.gz SBTNEHPAQCRONN-UHFFFAOYSA-N 0 1 171.240 1.211 10 0 ADAEMN Cc1nc2c([nH]1)CCC[C@H]2[C@@H](C)O 76089376 572944631 /nfs/dbraw/zinc/94/46/31/572944631.db2.gz SXNFTFKVWWOVFF-SVRRBLITSA-N 0 1 180.251 1.519 10 0 ADAEMN Cc1nc2c([nH]1)CCC[C@@H]2[C@H](C)O 76089379 572944804 /nfs/dbraw/zinc/94/48/04/572944804.db2.gz SXNFTFKVWWOVFF-POYBYMJQSA-N 0 1 180.251 1.519 10 0 ADAEMN Cc1nc2c([nH]1)CCC[C@@H]2[C@@H](C)O 76089373 572944848 /nfs/dbraw/zinc/94/48/48/572944848.db2.gz SXNFTFKVWWOVFF-HTRCEHHLSA-N 0 1 180.251 1.519 10 0 ADAEMN CC(C)c1nc2c([nH]1)CCC[C@@H]2CO 76090679 572944901 /nfs/dbraw/zinc/94/49/01/572944901.db2.gz MKBZIBDNJRHAOB-MRVPVSSYSA-N 0 1 194.278 1.945 10 0 ADAEMN CC(C)CCCOC(=O)C1(N)CCC1 88049280 572945035 /nfs/dbraw/zinc/94/50/35/572945035.db2.gz IEDOVXCBHIQPKR-UHFFFAOYSA-N 0 1 199.294 1.847 10 0 ADAEMN CC(C)c1nc2c([nH]1)CC[C@@H](CO)C2 76090681 572945126 /nfs/dbraw/zinc/94/51/26/572945126.db2.gz GOVXOCILZSNFKD-MRVPVSSYSA-N 0 1 194.278 1.630 10 0 ADAEMN CC[C@H](C)OC(=O)C1(N)CCC1 88049233 572945136 /nfs/dbraw/zinc/94/51/36/572945136.db2.gz PSLWKSBEUOKNOU-ZETCQYMHSA-N 0 1 171.240 1.210 10 0 ADAEMN CCCCCOC(=O)C1(N)CCC1 88049290 572945156 /nfs/dbraw/zinc/94/51/56/572945156.db2.gz OLSZEVMIANYPOR-UHFFFAOYSA-N 0 1 185.267 1.601 10 0 ADAEMN FCCN1CC[C@@H](COC(F)F)C1 308207469 572945177 /nfs/dbraw/zinc/94/51/77/572945177.db2.gz DDXXINYBEDMABK-SSDOTTSWSA-N 0 1 197.200 1.517 10 0 ADAEMN CC[C@H]1CN(CC[C@@H](C)F)CCO1 308211766 572945293 /nfs/dbraw/zinc/94/52/93/572945293.db2.gz GTUKKXPKSMKHSG-ZJUUUORDSA-N 0 1 189.274 1.845 10 0 ADAEMN CCOCC[N@H+]1CCC[C@H]1CC(C)=O 86497606 572946123 /nfs/dbraw/zinc/94/61/23/572946123.db2.gz DUKRNHQNMXRIQW-NSHDSACASA-N 0 1 199.294 1.466 10 0 ADAEMN CCC(=O)C(CC)=C(O)C1CC1 379325017 572946160 /nfs/dbraw/zinc/94/61/60/572946160.db2.gz AMXBFTCFXDXUGX-QMMMGPOBSA-N 0 1 168.236 1.971 10 0 ADAEMN CCOCC[N@H+]1CCC[C@@H]1CC(C)=O 86497604 572946700 /nfs/dbraw/zinc/94/67/00/572946700.db2.gz DUKRNHQNMXRIQW-LLVKDONJSA-N 0 1 199.294 1.466 10 0 ADAEMN CCC(=O)C(CC)=C(O)C1CC1 379325016 572946818 /nfs/dbraw/zinc/94/68/18/572946818.db2.gz AMXBFTCFXDXUGX-MRVPVSSYSA-N 0 1 168.236 1.971 10 0 ADAEMN CCCOC[C@@H](NC)c1ccn(C)n1 86525621 572947039 /nfs/dbraw/zinc/94/70/39/572947039.db2.gz DMKGRWZKXGZZJV-SNVBAGLBSA-N 0 1 197.282 1.107 10 0 ADAEMN CC(C)=C/C=C\C1=CC(=O)O[C@H]1O 199528700 572947141 /nfs/dbraw/zinc/94/71/41/572947141.db2.gz FQFCUDRHOZSWCC-TZGMSPROSA-N 0 1 180.203 1.310 10 0 ADAEMN C[C@@H]1C[C@H](N2CCC(=O)CC2)CCO1 235421022 572947341 /nfs/dbraw/zinc/94/73/41/572947341.db2.gz BSNIIERPHWISJE-NXEZZACHSA-N 0 1 197.278 1.219 10 0 ADAEMN CCN[C@H](COCC)c1ccn(C)n1 86525627 572947424 /nfs/dbraw/zinc/94/74/24/572947424.db2.gz AIKNKHGHJXQFGV-SNVBAGLBSA-N 0 1 197.282 1.107 10 0 ADAEMN CC[C@H](C(=O)[O-])[N@H+]1C[C@@H](C)C[C@@H]1C 222619042 572947839 /nfs/dbraw/zinc/94/78/39/572947839.db2.gz GUZGGGOHDZKJHE-XHNCKOQMSA-N 0 1 185.267 1.580 10 0 ADAEMN CCCOC[C@H](NC)c1ccn(C)n1 86525620 572948002 /nfs/dbraw/zinc/94/80/02/572948002.db2.gz DMKGRWZKXGZZJV-JTQLQIEISA-N 0 1 197.282 1.107 10 0 ADAEMN CCCN[C@H](COC)c1ccn(C)n1 86525631 572948015 /nfs/dbraw/zinc/94/80/15/572948015.db2.gz NKRZGQUPASZLJT-SNVBAGLBSA-N 0 1 197.282 1.107 10 0 ADAEMN CCC(CC)[N@@H+](C)CC(=O)N(C)C 308214179 572948308 /nfs/dbraw/zinc/94/83/08/572948308.db2.gz IEKYOQWBDUROQC-UHFFFAOYSA-N 0 1 186.299 1.195 10 0 ADAEMN CCC[N@@H+](CC)[C@@H](C)C(=O)NCC 308214826 572948407 /nfs/dbraw/zinc/94/84/07/572948407.db2.gz IOCKFNKLFQPHJQ-VIFPVBQESA-N 0 1 186.299 1.243 10 0 ADAEMN CC(C)C(C(C)C)[N@@H+](C)CC(=O)[O-] 308214711 572948424 /nfs/dbraw/zinc/94/84/24/572948424.db2.gz YWHARJNHMBQJNH-UHFFFAOYSA-N 0 1 187.283 1.683 10 0 ADAEMN CCCN[C@@H](COC)c1ccn(C)n1 86525630 572948440 /nfs/dbraw/zinc/94/84/40/572948440.db2.gz NKRZGQUPASZLJT-JTQLQIEISA-N 0 1 197.282 1.107 10 0 ADAEMN Cc1ccc(-c2cc(C=O)n[nH]2)o1 257684793 572948878 /nfs/dbraw/zinc/94/88/78/572948878.db2.gz VJWFOSDYZIWCPD-UHFFFAOYSA-N 0 1 176.175 1.791 10 0 ADAEMN CCC[N@@H+](CC)[C@H](C)C(=O)NCC 308214825 572949336 /nfs/dbraw/zinc/94/93/36/572949336.db2.gz IOCKFNKLFQPHJQ-SECBINFHSA-N 0 1 186.299 1.243 10 0 ADAEMN CCC(=O)O[C@H]1CCC[N@H+](CC)C1 308214980 572949522 /nfs/dbraw/zinc/94/95/22/572949522.db2.gz IRLOABALJGPACV-VIFPVBQESA-N 0 1 185.267 1.424 10 0 ADAEMN CCC(=O)O[C@@H]1CCC[N@H+](CC)C1 308214979 572949882 /nfs/dbraw/zinc/94/98/82/572949882.db2.gz IRLOABALJGPACV-SECBINFHSA-N 0 1 185.267 1.424 10 0 ADAEMN Cc1cn2c(C)c(N)ccc2n1 58407888 572951343 /nfs/dbraw/zinc/95/13/43/572951343.db2.gz CINLQFJPSYTLFJ-UHFFFAOYSA-N 0 1 161.208 1.533 10 0 ADAEMN CC(C)CCc1nccc(NN)n1 51153584 572951384 /nfs/dbraw/zinc/95/13/84/572951384.db2.gz PCOLVSKKYURQMM-UHFFFAOYSA-N 0 1 180.255 1.351 10 0 ADAEMN COC(=O)c1c[nH]c(-c2ccco2)n1 51170926 572951793 /nfs/dbraw/zinc/95/17/93/572951793.db2.gz LKSZSJOSGFSYFH-UHFFFAOYSA-N 0 1 192.174 1.456 10 0 ADAEMN CCn1cc(CN[C@@H]2CC[C@@H]2C)nn1 404509296 572953530 /nfs/dbraw/zinc/95/35/30/572953530.db2.gz OWTFNZAFAUUQPK-WCBMZHEXSA-N 0 1 194.282 1.186 10 0 ADAEMN CN[C@@H](COC(C)C)c1ccco1 86524718 572953071 /nfs/dbraw/zinc/95/30/71/572953071.db2.gz GIXBYZUFHYLIAU-VIFPVBQESA-N 0 1 183.251 1.965 10 0 ADAEMN CCOC[C@H](N)c1ccccn1 86524148 572953212 /nfs/dbraw/zinc/95/32/12/572953212.db2.gz FAAGYBBWKPZNHU-QMMMGPOBSA-N 0 1 166.224 1.118 10 0 ADAEMN CCCOC[C@@H](N)c1ccccn1 86524151 572953352 /nfs/dbraw/zinc/95/33/52/572953352.db2.gz JOXDGCPYGMVFHN-SECBINFHSA-N 0 1 180.251 1.508 10 0 ADAEMN CCCOC[C@H](N)c1ncccc1C 86524572 572953799 /nfs/dbraw/zinc/95/37/99/572953799.db2.gz OEIHQIHDUAIOTJ-JTQLQIEISA-N 0 1 194.278 1.816 10 0 ADAEMN CCOC[C@H](N)c1ncccc1C 86524570 572953638 /nfs/dbraw/zinc/95/36/38/572953638.db2.gz SXBYOATXEVDSMM-VIFPVBQESA-N 0 1 180.251 1.426 10 0 ADAEMN CCCOC[C@@H](N)c1ncccc1C 86524573 572953735 /nfs/dbraw/zinc/95/37/35/572953735.db2.gz OEIHQIHDUAIOTJ-SNVBAGLBSA-N 0 1 194.278 1.816 10 0 ADAEMN CCCOCC(=O)C(C)(C)N(C)C 86522220 572953768 /nfs/dbraw/zinc/95/37/68/572953768.db2.gz UVEICYBBWBFUAJ-UHFFFAOYSA-N 0 1 187.283 1.322 10 0 ADAEMN CCn1cc(CN[C@H]2CC[C@@H]2C)nn1 404509297 572953793 /nfs/dbraw/zinc/95/37/93/572953793.db2.gz OWTFNZAFAUUQPK-WPRPVWTQSA-N 0 1 194.282 1.186 10 0 ADAEMN CCOC[C@@H](N)c1cccc(C)n1 86524917 572953923 /nfs/dbraw/zinc/95/39/23/572953923.db2.gz WQXKHUMNCWQUGN-SECBINFHSA-N 0 1 180.251 1.426 10 0 ADAEMN CCOC[C@@H](N)c1ccccn1 86524149 572953939 /nfs/dbraw/zinc/95/39/39/572953939.db2.gz FAAGYBBWKPZNHU-MRVPVSSYSA-N 0 1 166.224 1.118 10 0 ADAEMN CC(C)C[N@H+]1CC[C@H](CC(=O)[O-])[C@@H]1C 238151720 572953970 /nfs/dbraw/zinc/95/39/70/572953970.db2.gz SQMYCABYMUPUFQ-VHSXEESVSA-N 0 1 199.294 1.828 10 0 ADAEMN CC(C)OCC(=O)C(C)(C)N(C)C 86522217 572954057 /nfs/dbraw/zinc/95/40/57/572954057.db2.gz JPQFNWWGVIAEMM-UHFFFAOYSA-N 0 1 187.283 1.321 10 0 ADAEMN CN[C@H](COC(C)C)c1ccco1 86524719 572954084 /nfs/dbraw/zinc/95/40/84/572954084.db2.gz GIXBYZUFHYLIAU-SECBINFHSA-N 0 1 183.251 1.965 10 0 ADAEMN Cc1cccnc1[C@@H](N)COC(C)C 86524569 572954110 /nfs/dbraw/zinc/95/41/10/572954110.db2.gz IWRLKMUTILAYBC-JTQLQIEISA-N 0 1 194.278 1.815 10 0 ADAEMN CN[C@H](COC(C)C)c1cnccn1 86524357 572954153 /nfs/dbraw/zinc/95/41/53/572954153.db2.gz IZFQXIISMFOCQZ-SNVBAGLBSA-N 0 1 195.266 1.162 10 0 ADAEMN CC(C)OC[C@@H](N)c1ccccn1 86524147 572954194 /nfs/dbraw/zinc/95/41/94/572954194.db2.gz KZCZAVRTCVVTKI-SECBINFHSA-N 0 1 180.251 1.506 10 0 ADAEMN Cc1cccnc1[C@H](N)COC(C)C 86524568 572954199 /nfs/dbraw/zinc/95/41/99/572954199.db2.gz IWRLKMUTILAYBC-SNVBAGLBSA-N 0 1 194.278 1.815 10 0 ADAEMN CCOC[C@@H](N)c1ncccc1C 86524571 572954234 /nfs/dbraw/zinc/95/42/34/572954234.db2.gz SXBYOATXEVDSMM-SECBINFHSA-N 0 1 180.251 1.426 10 0 ADAEMN Cc1n[nH]c(C)c1CN(C)C 169171598 572955372 /nfs/dbraw/zinc/95/53/72/572955372.db2.gz RWSICZCFIBADQP-UHFFFAOYSA-N 0 1 153.229 1.088 10 0 ADAEMN CCCOC[C@H](N)c1cccc(C)n1 86524918 572954489 /nfs/dbraw/zinc/95/44/89/572954489.db2.gz NKMTWFASUBXWJJ-JTQLQIEISA-N 0 1 194.278 1.816 10 0 ADAEMN CCOC[C@H](N)c1cccc(C)n1 86524916 572954636 /nfs/dbraw/zinc/95/46/36/572954636.db2.gz WQXKHUMNCWQUGN-VIFPVBQESA-N 0 1 180.251 1.426 10 0 ADAEMN CCCOC[C@@H](N)c1cccc(C)n1 86524919 572954653 /nfs/dbraw/zinc/95/46/53/572954653.db2.gz NKMTWFASUBXWJJ-SNVBAGLBSA-N 0 1 194.278 1.816 10 0 ADAEMN CCCOC[C@H](N)c1ccccn1 86524150 572954676 /nfs/dbraw/zinc/95/46/76/572954676.db2.gz JOXDGCPYGMVFHN-VIFPVBQESA-N 0 1 180.251 1.508 10 0 ADAEMN CC(C)OC[C@H](N)c1ccccn1 86524146 572954689 /nfs/dbraw/zinc/95/46/89/572954689.db2.gz KZCZAVRTCVVTKI-VIFPVBQESA-N 0 1 180.251 1.506 10 0 ADAEMN CCCOC[C@H](NC)c1ccncn1 86525032 572954935 /nfs/dbraw/zinc/95/49/35/572954935.db2.gz ADXHMHHMGUQEGY-JTQLQIEISA-N 0 1 195.266 1.164 10 0 ADAEMN CCCN[C@H](COC)c1ccncn1 86525043 572955094 /nfs/dbraw/zinc/95/50/94/572955094.db2.gz MYRQKDMERLZKRV-SNVBAGLBSA-N 0 1 195.266 1.164 10 0 ADAEMN CCN[C@@H](COCC)c1ccncn1 86525038 572955190 /nfs/dbraw/zinc/95/51/90/572955190.db2.gz JGOMZOQRHWQGTD-JTQLQIEISA-N 0 1 195.266 1.164 10 0 ADAEMN CCCOC[C@H](N)c1cc(C)ccn1 86524960 572955333 /nfs/dbraw/zinc/95/53/33/572955333.db2.gz ISOXEMXQPFTPGF-JTQLQIEISA-N 0 1 194.278 1.816 10 0 ADAEMN CCCOC[C@@H](N)c1cc(C)ccn1 86524961 572955411 /nfs/dbraw/zinc/95/54/11/572955411.db2.gz ISOXEMXQPFTPGF-SNVBAGLBSA-N 0 1 194.278 1.816 10 0 ADAEMN CCCOC[C@@H](NC)c1ccncn1 86525033 572955749 /nfs/dbraw/zinc/95/57/49/572955749.db2.gz ADXHMHHMGUQEGY-SNVBAGLBSA-N 0 1 195.266 1.164 10 0 ADAEMN CCOC[C@H](N)c1cc(C)ccn1 86524958 572955898 /nfs/dbraw/zinc/95/58/98/572955898.db2.gz QHVDXWFKBVJYPX-VIFPVBQESA-N 0 1 180.251 1.426 10 0 ADAEMN CN[C@H](COC(C)C)c1ccncn1 86525029 572955944 /nfs/dbraw/zinc/95/59/44/572955944.db2.gz ZUPADQIUDMNBTN-SNVBAGLBSA-N 0 1 195.266 1.162 10 0 ADAEMN CN[C@@H](COC(C)C)c1ccncn1 86525028 572955958 /nfs/dbraw/zinc/95/59/58/572955958.db2.gz ZUPADQIUDMNBTN-JTQLQIEISA-N 0 1 195.266 1.162 10 0 ADAEMN Cc1ccnc([C@@H](N)COC(C)C)c1 86524957 572956017 /nfs/dbraw/zinc/95/60/17/572956017.db2.gz QQCKLCPHJNPVMH-JTQLQIEISA-N 0 1 194.278 1.815 10 0 ADAEMN CCOC[C@@H](N)c1cc(C)ccn1 86524959 572956171 /nfs/dbraw/zinc/95/61/71/572956171.db2.gz QHVDXWFKBVJYPX-SECBINFHSA-N 0 1 180.251 1.426 10 0 ADAEMN CCCN[C@@H](COC)c1ccncn1 86525042 572956233 /nfs/dbraw/zinc/95/62/33/572956233.db2.gz MYRQKDMERLZKRV-JTQLQIEISA-N 0 1 195.266 1.164 10 0 ADAEMN Cc1ccnc([C@H](N)COC(C)C)c1 86524956 572956344 /nfs/dbraw/zinc/95/63/44/572956344.db2.gz QQCKLCPHJNPVMH-SNVBAGLBSA-N 0 1 194.278 1.815 10 0 ADAEMN CCN[C@H](COCC)c1ccncn1 86525039 572956607 /nfs/dbraw/zinc/95/66/07/572956607.db2.gz JGOMZOQRHWQGTD-SNVBAGLBSA-N 0 1 195.266 1.164 10 0 ADAEMN CC(C)CO[P@@H](=O)OCCO 238156788 572958048 /nfs/dbraw/zinc/95/80/48/572958048.db2.gz WWCLIRGQNWWROX-UHFFFAOYSA-N 0 1 182.156 1.058 10 0 ADAEMN CCCn1ccnc1[C@H](N)[C@@H](C)OC 86576882 572958832 /nfs/dbraw/zinc/95/88/32/572958832.db2.gz KKFSODTXRPWHFZ-RKDXNWHRSA-N 0 1 197.282 1.328 10 0 ADAEMN CCCn1ccnc1[C@@H](N)[C@@H](C)OC 86576885 572958836 /nfs/dbraw/zinc/95/88/36/572958836.db2.gz KKFSODTXRPWHFZ-BDAKNGLRSA-N 0 1 197.282 1.328 10 0 ADAEMN CCCn1ccnc1[C@H](N)[C@H](C)OC 86576887 572959070 /nfs/dbraw/zinc/95/90/70/572959070.db2.gz KKFSODTXRPWHFZ-DTWKUNHWSA-N 0 1 197.282 1.328 10 0 ADAEMN CCCn1ccnc1[C@@H](N)[C@H](C)OC 86576889 572959205 /nfs/dbraw/zinc/95/92/05/572959205.db2.gz KKFSODTXRPWHFZ-IUCAKERBSA-N 0 1 197.282 1.328 10 0 ADAEMN C[N@@H+](CC(C)(C)C(=O)[O-])C1CC1 51287505 572959610 /nfs/dbraw/zinc/95/96/10/572959610.db2.gz LVCMTFDRADWVIB-UHFFFAOYSA-N 0 1 171.240 1.191 10 0 ADAEMN CCC[N@@H+](CCC(=O)[O-])[C@H](C)CC 58845490 572959815 /nfs/dbraw/zinc/95/98/15/572959815.db2.gz HOZQJMAFWBCINJ-SECBINFHSA-N 0 1 187.283 1.972 10 0 ADAEMN CC(C)C[P@@H](=O)OC[C@@H](C)O 238167119 572959854 /nfs/dbraw/zinc/95/98/54/572959854.db2.gz LWWMPOIVSJIJAO-SSDOTTSWSA-N 0 1 180.184 1.515 10 0 ADAEMN CC[C@@H](C)[N@@H+](C)CC(C)(C)C(=O)[O-] 51287378 572960084 /nfs/dbraw/zinc/96/00/84/572960084.db2.gz NKNZUVHAIIPIFJ-MRVPVSSYSA-N 0 1 187.283 1.828 10 0 ADAEMN CC(C)CCOCc1cnc[nH]1 238165916 572960253 /nfs/dbraw/zinc/96/02/53/572960253.db2.gz AGRMWWLGERLXDR-UHFFFAOYSA-N 0 1 168.240 1.972 10 0 ADAEMN C[C@H]1CCC[N@H+]1CC(C)(C)C(=O)[O-] 51286360 572960452 /nfs/dbraw/zinc/96/04/52/572960452.db2.gz OMJGJVXBDAUVHU-QMMMGPOBSA-N 0 1 185.267 1.582 10 0 ADAEMN CC(C)C[P@@H](=O)OC[C@H](C)O 238167164 572960705 /nfs/dbraw/zinc/96/07/05/572960705.db2.gz LWWMPOIVSJIJAO-ZETCQYMHSA-N 0 1 180.184 1.515 10 0 ADAEMN CCC[N@@H+](CCC(=O)[O-])[C@@H](C)CC 58845488 572961119 /nfs/dbraw/zinc/96/11/19/572961119.db2.gz HOZQJMAFWBCINJ-VIFPVBQESA-N 0 1 187.283 1.972 10 0 ADAEMN N[C@@H](CC[C@@H]1CCCO1)C(F)F 236291482 572961482 /nfs/dbraw/zinc/96/14/82/572961482.db2.gz GATGINIGLBHZBF-BQBZGAKWSA-N 0 1 179.210 1.538 10 0 ADAEMN Cc1cc(C2=NCCN2)c(C)o1 196723419 572961618 /nfs/dbraw/zinc/96/16/18/572961618.db2.gz YXYWBIKDCIYQFF-UHFFFAOYSA-N 0 1 164.208 1.246 10 0 ADAEMN C[C@@H]1CCC[N@H+]1CC(C)(C)C(=O)[O-] 51286358 572961607 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86577552 572962543 /nfs/dbraw/zinc/96/25/43/572962543.db2.gz JPDONPWKSFJLOU-RKDXNWHRSA-N 0 1 197.282 1.198 10 0 ADAEMN Cc1nc2cccc([C@@H](C)O)c2[nH]1 76209676 572962599 /nfs/dbraw/zinc/96/25/99/572962599.db2.gz RYZXTOSGFOVXDO-ZCFIWIBFSA-N 0 1 176.219 1.925 10 0 ADAEMN Cc1nc2cccc([C@H](C)O)c2[nH]1 76209681 572963081 /nfs/dbraw/zinc/96/30/81/572963081.db2.gz RYZXTOSGFOVXDO-LURJTMIESA-N 0 1 176.219 1.925 10 0 ADAEMN CNc1cccc2nc(C)n(C)c12 76209905 572963334 /nfs/dbraw/zinc/96/33/34/572963334.db2.gz QQXYHMBMMPPSLM-UHFFFAOYSA-N 0 1 175.235 1.923 10 0 ADAEMN CC(C)(C)OC(=O)c1cc(O)c[nH]1 59096095 572963749 /nfs/dbraw/zinc/96/37/49/572963749.db2.gz OHVYVAAXBYLSHA-UHFFFAOYSA-N 0 1 183.207 1.676 10 0 ADAEMN CCN[C@H](c1nccn1C)[C@H](C)OC 86579138 572963981 /nfs/dbraw/zinc/96/39/81/572963981.db2.gz PNRRMUTXJAZONE-IUCAKERBSA-N 0 1 197.282 1.106 10 0 ADAEMN CCN[C@@H](c1cnccn1)[C@H](C)OC 86578918 572964191 /nfs/dbraw/zinc/96/41/91/572964191.db2.gz BDMPKKXBGXMERU-WCBMZHEXSA-N 0 1 195.266 1.162 10 0 ADAEMN 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YQBVWIDOPUXCKN-UHFFFAOYSA-N 0 1 195.218 1.877 10 0 ADAEMN CC(=O)C=C(O)CCCC(C)=O 116847430 572966628 /nfs/dbraw/zinc/96/66/28/572966628.db2.gz CTHONQIZHFVJME-UHFFFAOYSA-N 0 1 170.208 1.294 10 0 ADAEMN CC(C)C[C@H]([NH3+])c1ncccc1[O-] 713802109 572968014 /nfs/dbraw/zinc/96/80/14/572968014.db2.gz ZNFOINTXHYWTHB-QMMMGPOBSA-N 0 1 180.251 1.833 10 0 ADAEMN CC(C)c1ncc(N(C)C)c(CN)n1 51396494 572967565 /nfs/dbraw/zinc/96/75/65/572967565.db2.gz RLLGAKQSZFMECH-UHFFFAOYSA-N 0 1 194.282 1.125 10 0 ADAEMN C=C/C=C/CCC(=O)[C@@H]1CNCCO1 713655051 572967919 /nfs/dbraw/zinc/96/79/19/572967919.db2.gz HTEBDPQIMFLHTC-UFFNRZRYSA-N 0 1 195.262 1.066 10 0 ADAEMN N[C@@H](CC[C@H]1CCCO1)C(F)F 236292781 572967960 /nfs/dbraw/zinc/96/79/60/572967960.db2.gz GATGINIGLBHZBF-RQJHMYQMSA-N 0 1 179.210 1.538 10 0 ADAEMN C=C/C=C\CCC(=O)[C@H]1CNCCO1 713655047 572968333 /nfs/dbraw/zinc/96/83/33/572968333.db2.gz HTEBDPQIMFLHTC-DLRQAJBASA-N 0 1 195.262 1.066 10 0 ADAEMN CC(C)C[C@@H]([NH3+])c1ncccc1[O-] 713802106 572968887 /nfs/dbraw/zinc/96/88/87/572968887.db2.gz ZNFOINTXHYWTHB-MRVPVSSYSA-N 0 1 180.251 1.833 10 0 ADAEMN Nc1ccnc(CCl)c1 59357899 572969367 /nfs/dbraw/zinc/96/93/67/572969367.db2.gz JSJUDVCXRCOGHU-UHFFFAOYSA-N 0 1 142.589 1.403 10 0 ADAEMN CCCc1[nH+]ccn1[C@H](F)C(=O)[O-] 88127589 572969411 /nfs/dbraw/zinc/96/94/11/572969411.db2.gz MXRJMBKUDLCSHQ-ZETCQYMHSA-N 0 1 186.186 1.388 10 0 ADAEMN CCCc1[nH+]ccn1[C@@H](F)C(=O)[O-] 88127590 572970463 /nfs/dbraw/zinc/97/04/63/572970463.db2.gz MXRJMBKUDLCSHQ-SSDOTTSWSA-N 0 1 186.186 1.388 10 0 ADAEMN CC(C)[C@H](C[N@H+]1CC[C@@H]1C)C(=O)[O-] 86685855 572970741 /nfs/dbraw/zinc/97/07/41/572970741.db2.gz XCDXWFISRQRQER-IUCAKERBSA-N 0 1 185.267 1.437 10 0 ADAEMN C[C@@H](CCC(=O)[O-])CC[N@H+]1CC[C@@H]1C 86685331 572970771 /nfs/dbraw/zinc/97/07/71/572970771.db2.gz PDNCLGDIFTUIRD-UWVGGRQHSA-N 0 1 199.294 1.972 10 0 ADAEMN CCC[C@H](C[N@H+]1CC[C@@H]1C)C(=O)[O-] 86686014 572971075 /nfs/dbraw/zinc/97/10/75/572971075.db2.gz IEPAGLDLMLKZLG-DTWKUNHWSA-N 0 1 185.267 1.582 10 0 ADAEMN CC(C)[C@H](C[N@H+]1CC[C@H]1C)C(=O)[O-] 86685853 572971125 /nfs/dbraw/zinc/97/11/25/572971125.db2.gz XCDXWFISRQRQER-BDAKNGLRSA-N 0 1 185.267 1.437 10 0 ADAEMN C[C@@H](CCC(=O)[O-])CC[N@H+]1CC[C@H]1C 86685330 572971138 /nfs/dbraw/zinc/97/11/38/572971138.db2.gz PDNCLGDIFTUIRD-VHSXEESVSA-N 0 1 199.294 1.972 10 0 ADAEMN C[C@H]1CC[N@H+]1CCCCC(=O)[O-] 86685176 572971271 /nfs/dbraw/zinc/97/12/71/572971271.db2.gz LLEIOAMGIIRQCB-QMMMGPOBSA-N 0 1 171.240 1.336 10 0 ADAEMN C[C@@H](CCC(=O)[O-])[N@H+]1CC[C@@H]1C 86685223 572971395 /nfs/dbraw/zinc/97/13/95/572971395.db2.gz WHIKOFWLXJVMIT-YUMQZZPRSA-N 0 1 171.240 1.334 10 0 ADAEMN C[C@@H]1CC[N@H+]1CCCCC(=O)[O-] 86685173 572971692 /nfs/dbraw/zinc/97/16/92/572971692.db2.gz LLEIOAMGIIRQCB-MRVPVSSYSA-N 0 1 171.240 1.336 10 0 ADAEMN CCC[C@@H](C[N@H+]1CC[C@@H]1C)C(=O)[O-] 86686011 572971920 /nfs/dbraw/zinc/97/19/20/572971920.db2.gz IEPAGLDLMLKZLG-IUCAKERBSA-N 0 1 185.267 1.582 10 0 ADAEMN C[C@@H](CCC(=O)[O-])[N@H+]1CC[C@H]1C 86685222 572971930 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1 180.255 1.247 10 0 ADAEMN NNc1cncc(NC2CCCC2)n1 87904283 572997477 /nfs/dbraw/zinc/99/74/77/572997477.db2.gz HIRGPRNQNKWWOQ-UHFFFAOYSA-N 0 1 193.254 1.117 10 0 ADAEMN C[N@H+]1CCC(C)(C)C[C@@H]1C(=O)[O-] 257918429 572997487 /nfs/dbraw/zinc/99/74/87/572997487.db2.gz RDWMIQIDRJBIFX-SSDOTTSWSA-N 0 1 171.240 1.191 10 0 ADAEMN CCC[C@@H](C)Nc1cncc(NN)n1 87904564 572997509 /nfs/dbraw/zinc/99/75/09/572997509.db2.gz QTYGUQSUKCPWNM-SSDOTTSWSA-N 0 1 195.270 1.363 10 0 ADAEMN CCn1nc(CN2CCCC2)cc1N 257919779 572997574 /nfs/dbraw/zinc/99/75/74/572997574.db2.gz NLXSVVBTLQAQGP-UHFFFAOYSA-N 0 1 194.282 1.081 10 0 ADAEMN CCc1nc(NC)c(C)c(NC)n1 87917934 572997667 /nfs/dbraw/zinc/99/76/67/572997667.db2.gz UMUKUZFELWPZFS-UHFFFAOYSA-N 0 1 180.255 1.431 10 0 ADAEMN CCN(C)c1cc(N)nc(C2CC2)n1 87909022 572997719 /nfs/dbraw/zinc/99/77/19/572997719.db2.gz MAIATPISHFUHAV-UHFFFAOYSA-N 0 1 192.266 1.392 10 0 ADAEMN FC1(F)[C@H]2CC[C@@H]1NC2 104532115 572997775 /nfs/dbraw/zinc/99/77/75/572997775.db2.gz HPMSYDUZPKHODP-WHFBIAKZSA-N 0 1 133.141 1.004 10 0 ADAEMN CC(C)OCCN(C)CC1(F)CC1 308219034 572997913 /nfs/dbraw/zinc/99/79/13/572997913.db2.gz BHWZTWWBPDHQCC-UHFFFAOYSA-N 0 1 189.274 1.845 10 0 ADAEMN C[N@H+]1CCC(C)(C)C[C@H]1C(=O)[O-] 257918430 572998295 /nfs/dbraw/zinc/99/82/95/572998295.db2.gz RDWMIQIDRJBIFX-ZETCQYMHSA-N 0 1 171.240 1.191 10 0 ADAEMN CCC(CC)Nc1cncc(NN)n1 87904310 572998359 /nfs/dbraw/zinc/99/83/59/572998359.db2.gz PGCJDTBMXBTGFG-UHFFFAOYSA-N 0 1 195.270 1.363 10 0 ADAEMN Cc1[nH]nc2cccc([C@H](C)CO)c12 258209849 572998393 /nfs/dbraw/zinc/99/83/93/572998393.db2.gz ZIJXXRZJGKNAHA-SSDOTTSWSA-N 0 1 190.246 1.967 10 0 ADAEMN Cc1c(N)nc(C2CC2)nc1N(C)C 87917864 572998417 /nfs/dbraw/zinc/99/84/17/572998417.db2.gz PVOSQDZGJPJJOP-UHFFFAOYSA-N 0 1 192.266 1.311 10 0 ADAEMN CCC[N@H+]1CC2CC(C2)[C@@H]1C(=O)[O-] 257919502 572998486 /nfs/dbraw/zinc/99/84/86/572998486.db2.gz RFYFMHXGXCDJII-AMDVSUOASA-N 0 1 183.251 1.191 10 0 ADAEMN CC[C@@H](O)CN[C@H](C)c1ccon1 308218522 572999052 /nfs/dbraw/zinc/99/90/52/572999052.db2.gz KFZNXUKQZKQVBR-HTQZYQBOSA-N 0 1 184.239 1.096 10 0 ADAEMN CC1(C)C(=O)CCN1C1CCCC1 259530835 572999211 /nfs/dbraw/zinc/99/92/11/572999211.db2.gz VZBWBHRDLGCTTG-UHFFFAOYSA-N 0 1 181.279 1.982 10 0 ADAEMN NCC1=NC[C@H](c2ccc(F)cc2)O1 258211026 572999391 /nfs/dbraw/zinc/99/93/91/572999391.db2.gz OCUVKHICWKGLFF-SECBINFHSA-N 0 1 194.209 1.254 10 0 ADAEMN C[C@H]1CC[C@H](OC(=O)C(C)(C)N)C1 113265937 572999643 /nfs/dbraw/zinc/99/96/43/572999643.db2.gz MMPVWGWMIKAPSF-YUMQZZPRSA-N 0 1 185.267 1.456 10 0 ADAEMN Cc1nc(NN)c2cc(C)oc2n1 104544325 572999781 /nfs/dbraw/zinc/99/97/81/572999781.db2.gz SQXCSCHZGPKDPR-UHFFFAOYSA-N 0 1 178.195 1.125 10 0 ADAEMN N=C(NN)c1cc2ccccc2cn1 104545573 572999835 /nfs/dbraw/zinc/99/98/35/572999835.db2.gz OKEJKQWXKFYHBJ-UHFFFAOYSA-N 0 1 186.218 1.023 10 0 ADAEMN CC[C@H](O)CN[C@@H](C)c1ccon1 308218525 573000452 /nfs/dbraw/zinc/00/04/52/573000452.db2.gz KFZNXUKQZKQVBR-YUMQZZPRSA-N 0 1 184.239 1.096 10 0 ADAEMN CC(C)[N@H+]1CCC[C@H]1/C=C\CC(=O)[O-] 258210326 573000780 /nfs/dbraw/zinc/00/07/80/573000780.db2.gz OAUDHIDYUJBEAJ-TZGMSPROSA-N 0 1 197.278 1.890 10 0 ADAEMN CC(C)[N@H+]1CCC[C@@H]1/C=C\CC(=O)[O-] 258210324 573000744 /nfs/dbraw/zinc/00/07/44/573000744.db2.gz OAUDHIDYUJBEAJ-ATPLWMGHSA-N 0 1 197.278 1.890 10 0 ADAEMN Cc1[nH+]cn([C@@H]2CC[C@H]2C(=O)[O-])c1C 87920059 573000969 /nfs/dbraw/zinc/00/09/69/573000969.db2.gz NWHJPSSZKFKKFB-RKDXNWHRSA-N 0 1 194.234 1.536 10 0 ADAEMN NCC1=NC[C@@H](c2ccc(F)cc2)O1 258211028 573000991 /nfs/dbraw/zinc/00/09/91/573000991.db2.gz OCUVKHICWKGLFF-VIFPVBQESA-N 0 1 194.209 1.254 10 0 ADAEMN C[N@H+](C1CCCC1)[C@@H]1CC[C@@H]1C(=O)[O-] 87920250 573001092 /nfs/dbraw/zinc/00/10/92/573001092.db2.gz LAMRRRNLXDDBPS-VHSXEESVSA-N 0 1 197.278 1.724 10 0 ADAEMN CCN[C@H](CC)c1ncnn1CC 308231760 573001490 /nfs/dbraw/zinc/00/14/90/573001490.db2.gz SZTVSECLVAQLGT-MRVPVSSYSA-N 0 1 182.271 1.359 10 0 ADAEMN CC[N@H+]1CCC[C@H]1/C=C\CC(=O)[O-] 258210256 573001570 /nfs/dbraw/zinc/00/15/70/573001570.db2.gz NZUKNHRWTUTRSD-AZVKUDOFSA-N 0 1 183.251 1.502 10 0 ADAEMN Cc1[nH+]ccn1[C@@H]1CC[C@@H]1C(=O)[O-] 87919961 573001584 /nfs/dbraw/zinc/00/15/84/573001584.db2.gz AWFCJCBBQSMPQC-JGVFFNPUSA-N 0 1 180.207 1.227 10 0 ADAEMN CC(C)n1ncc(CN(C)C)c1N 257919762 573001602 /nfs/dbraw/zinc/00/16/02/573001602.db2.gz NLPHSGSQLKBBFR-UHFFFAOYSA-N 0 1 182.271 1.108 10 0 ADAEMN Cc1cccc(-c2nc(CO)n[nH]2)c1 85383936 573002679 /nfs/dbraw/zinc/00/26/79/573002679.db2.gz KNVSJGCRWSKYPI-UHFFFAOYSA-N 0 1 189.218 1.272 10 0 ADAEMN NN=c1nncc(C2CCCCC2)[nH]1 104538453 573001673 /nfs/dbraw/zinc/00/16/73/573001673.db2.gz MDQPXZJVKOYKJC-UHFFFAOYSA-N 0 1 193.254 1.205 10 0 ADAEMN Cc1cc2c(Cl)nnc(NN)c2o1 104542868 573001689 /nfs/dbraw/zinc/00/16/89/573001689.db2.gz GQJJJGHWJOETOY-UHFFFAOYSA-N 0 1 198.613 1.470 10 0 ADAEMN CC(C)[N@@H+](C)[C@@H]1CC[C@@H]1C(=O)[O-] 87920185 573001706 /nfs/dbraw/zinc/00/17/06/573001706.db2.gz BPWGVKGBPMEQRZ-JGVFFNPUSA-N 0 1 171.240 1.190 10 0 ADAEMN C[C@@H]1CCCC[N@H+]1[C@@H]1CC[C@@H]1C(=O)[O-] 87920166 573001722 /nfs/dbraw/zinc/00/17/22/573001722.db2.gz FLHBQUAHPZBBED-KXUCPTDWSA-N 0 1 197.278 1.724 10 0 ADAEMN CCc1[nH+]ccn1[C@H]1CC[C@@H]1C(=O)[O-] 87920042 573001756 /nfs/dbraw/zinc/00/17/56/573001756.db2.gz LVPNWEAXDFJYGV-YUMQZZPRSA-N 0 1 194.234 1.481 10 0 ADAEMN Cc1[nH]nc2cccc([C@@H](C)CO)c12 258209851 573001870 /nfs/dbraw/zinc/00/18/70/573001870.db2.gz ZIJXXRZJGKNAHA-ZETCQYMHSA-N 0 1 190.246 1.967 10 0 ADAEMN Clc1ccc(N2C=CC=CN2)nn1 104538822 573002004 /nfs/dbraw/zinc/00/20/04/573002004.db2.gz VLZINMSKJHAZAP-UHFFFAOYSA-N 0 1 194.625 1.482 10 0 ADAEMN C[C@@H]1CC[N@H+]([C@@H]2CC[C@@H]2C(=O)[O-])C1 87920360 573002254 /nfs/dbraw/zinc/00/22/54/573002254.db2.gz QXGBSQPBKBEUAH-HRDYMLBCSA-N 0 1 183.251 1.191 10 0 ADAEMN Cc1nc(NN)cc(-c2ccco2)n1 104545366 573002330 /nfs/dbraw/zinc/00/23/30/573002330.db2.gz MTEPZUMUQPCCAV-UHFFFAOYSA-N 0 1 190.206 1.331 10 0 ADAEMN Cc1[nH+]ccn1[C@H]1CC[C@H]1C(=O)[O-] 87919964 573002420 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ZPWVDIQZIGNBAH-OWOJBTEDSA-N 0 1 185.173 1.642 10 0 ADAEMN Nc1cc(-c2ccc(F)cc2O)on1 258214295 573003568 /nfs/dbraw/zinc/00/35/68/573003568.db2.gz ZSIHCMOPKHPZOH-UHFFFAOYSA-N 0 1 194.165 1.769 10 0 ADAEMN CC[C@H](C)[N@H+]1CC[C@@](C)(CC(=O)[O-])C1 259306150 573003816 /nfs/dbraw/zinc/00/38/16/573003816.db2.gz HTCQMEQQFYKVNK-ONGXEEELSA-N 0 1 199.294 1.972 10 0 ADAEMN CCc1[nH+]ccn1[C@H]1CC[C@H]1C(=O)[O-] 87920044 573003845 /nfs/dbraw/zinc/00/38/45/573003845.db2.gz LVPNWEAXDFJYGV-SFYZADRCSA-N 0 1 194.234 1.481 10 0 ADAEMN CCc1[nH+]ccn1[C@@H]1CC[C@@H]1C(=O)[O-] 87920041 573003975 /nfs/dbraw/zinc/00/39/75/573003975.db2.gz LVPNWEAXDFJYGV-JGVFFNPUSA-N 0 1 194.234 1.481 10 0 ADAEMN CC[C@@H]1CCC[N@H+]1[C@@H]1CC[C@@H]1C(=O)[O-] 87920352 573003997 /nfs/dbraw/zinc/00/39/97/573003997.db2.gz MQUREWOTXVIACR-KXUCPTDWSA-N 0 1 197.278 1.724 10 0 ADAEMN COC(=O)[C@@]1(C2CCCC2)CCCN1 258215070 573004172 /nfs/dbraw/zinc/00/41/72/573004172.db2.gz QRDGTRCUOGMNSH-NSHDSACASA-N 0 1 197.278 1.472 10 0 ADAEMN 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/nfs/dbraw/zinc/00/50/62/573005062.db2.gz VSAOUGYRVLSGPI-UHFFFAOYSA-N 0 1 198.310 1.245 10 0 ADAEMN CCOC(=O)[C@]12Cc3nc[nH]c3[C@H]1C2 104549017 573005143 /nfs/dbraw/zinc/00/51/43/573005143.db2.gz GDGBPLSYTWRCHL-LHLIQPBNSA-N 0 1 192.218 1.003 10 0 ADAEMN NNc1cc(C2CC2)c(Cl)nn1 104555064 573005228 /nfs/dbraw/zinc/00/52/28/573005228.db2.gz BXHXAOURDBCKHU-UHFFFAOYSA-N 0 1 184.630 1.293 10 0 ADAEMN CC[C@H](C)[N@H+]1CC[C@](C)(CC(=O)[O-])C1 259306137 573005535 /nfs/dbraw/zinc/00/55/35/573005535.db2.gz HTCQMEQQFYKVNK-GXSJLCMTSA-N 0 1 199.294 1.972 10 0 ADAEMN COc1cc(CNC2CC2)c(F)cn1 308473901 573005689 /nfs/dbraw/zinc/00/56/89/573005689.db2.gz JUDQLJDXNBQJEH-UHFFFAOYSA-N 0 1 196.225 1.481 10 0 ADAEMN Cc1ccc(-c2nc(CO)n[nH]2)cc1 85383943 573005693 /nfs/dbraw/zinc/00/56/93/573005693.db2.gz LWFHKBPSLPWSSU-UHFFFAOYSA-N 0 1 189.218 1.272 10 0 ADAEMN CC1(C)CCC[N@H+]1[C@H]1CC[C@@H]1C(=O)[O-] 87920643 573005930 /nfs/dbraw/zinc/00/59/30/573005930.db2.gz YYXCFTNOCQHSRG-IUCAKERBSA-N 0 1 197.278 1.724 10 0 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/nfs/dbraw/zinc/01/37/41/573013741.db2.gz KLMQIKVMKKGYNK-JTQLQIEISA-N 0 1 196.319 1.975 10 0 ADAEMN C/C=C/CN(CC)CC(=O)NCC 308222813 573013778 /nfs/dbraw/zinc/01/37/78/573013778.db2.gz LXKSKCFWKGWRPO-QPJJXVBHSA-N 0 1 184.283 1.021 10 0 ADAEMN CCC(CC)N(C)c1nc(N)n[nH]1 85420396 573015348 /nfs/dbraw/zinc/01/53/48/573015348.db2.gz KGHFJHPKWWJKSJ-UHFFFAOYSA-N 0 1 183.259 1.012 10 0 ADAEMN C[C@@H]1CCC[C@H](Nc2nc(N)n[nH]2)C1 85420355 573015312 /nfs/dbraw/zinc/01/53/12/573015312.db2.gz IAWQFAINOVGASU-RQJHMYQMSA-N 0 1 195.270 1.378 10 0 ADAEMN CC[C@@H](C)[C@@H](C)Nc1nc(N)n[nH]1 85420069 573015121 /nfs/dbraw/zinc/01/51/21/573015121.db2.gz MPKITESJEQQFSJ-PHDIDXHHSA-N 0 1 183.259 1.233 10 0 ADAEMN C[C@@]1(c2c[nH]c(CN)n2)CCCCO1 258224645 573015158 /nfs/dbraw/zinc/01/51/58/573015158.db2.gz YXAAACRAZDHFNQ-JTQLQIEISA-N 0 1 195.266 1.284 10 0 ADAEMN O=Cc1cc([C@@H]2CCCOC2)[nH]n1 259311155 573015387 /nfs/dbraw/zinc/01/53/87/573015387.db2.gz RIFZTOTUMZCUNW-SSDOTTSWSA-N 0 1 180.207 1.116 10 0 ADAEMN 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573016948 /nfs/dbraw/zinc/01/69/48/573016948.db2.gz MKOBWFSIUFOBKQ-ZETCQYMHSA-N 0 1 195.270 1.012 10 0 ADAEMN CC[C@H](C)[C@H](C)Nc1nc(N)n[nH]1 85420072 573017010 /nfs/dbraw/zinc/01/70/10/573017010.db2.gz MPKITESJEQQFSJ-WDSKDSINSA-N 0 1 183.259 1.233 10 0 ADAEMN C[C@@H]1CCC[C@@H](Nc2nc(N)n[nH]2)C1 85420357 573017041 /nfs/dbraw/zinc/01/70/41/573017041.db2.gz IAWQFAINOVGASU-RNFRBKRXSA-N 0 1 195.270 1.378 10 0 ADAEMN NN=c1ncc2c([nH]1)CCCCCC2 104568912 573017052 /nfs/dbraw/zinc/01/70/52/573017052.db2.gz BHVSPEXHGIFZOK-UHFFFAOYSA-N 0 1 192.266 1.421 10 0 ADAEMN CC[C@@H]1CCCN(c2nc(N)n[nH]2)C1 85420406 573017100 /nfs/dbraw/zinc/01/71/00/573017100.db2.gz XEQUUXZPSCQUAU-SSDOTTSWSA-N 0 1 195.270 1.013 10 0 ADAEMN CN(c1nc(N)n[nH]1)C1CCCCC1 85420044 573017129 /nfs/dbraw/zinc/01/71/29/573017129.db2.gz YXZWGEFLDLZZKB-UHFFFAOYSA-N 0 1 195.270 1.156 10 0 ADAEMN CCC(C)(C)N(C)c1nc(N)n[nH]1 85420560 573017146 /nfs/dbraw/zinc/01/71/46/573017146.db2.gz POEJQJDCGKRGLY-UHFFFAOYSA-N 0 1 183.259 1.012 10 0 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C[N@H+]1CC[C@@H](C2CCC2)[C@H]1C(=O)[O-] 257943323 573091571 /nfs/dbraw/zinc/09/15/71/573091571.db2.gz VHBBWDQYZBEAKC-IUCAKERBSA-N 0 1 183.251 1.191 10 0 ADAEMN O=c1cc(-c2cc(F)cc(F)c2)[nH][nH]1 114540230 573091683 /nfs/dbraw/zinc/09/16/83/573091683.db2.gz MJMMTYIVPJEDIV-UHFFFAOYSA-N 0 1 196.156 1.189 10 0 ADAEMN C[N@H+]1CC[C@H](C2CCC2)[C@H]1C(=O)[O-] 257943319 573091857 /nfs/dbraw/zinc/09/18/57/573091857.db2.gz VHBBWDQYZBEAKC-BDAKNGLRSA-N 0 1 183.251 1.191 10 0 ADAEMN COC(=O)[C@@H]1CC[C@](C)(CC(C)C)N1 215522863 573091871 /nfs/dbraw/zinc/09/18/71/573091871.db2.gz RWVSXNPZCHITRI-GXSJLCMTSA-N 0 1 199.294 1.716 10 0 ADAEMN COC(=O)[C@H]1CC[C@](C)(CC(C)C)N1 215522766 573091937 /nfs/dbraw/zinc/09/19/37/573091937.db2.gz RWVSXNPZCHITRI-MWLCHTKSSA-N 0 1 199.294 1.716 10 0 ADAEMN CO[C@@H](N)c1cccc(C)c1 259325849 573092089 /nfs/dbraw/zinc/09/20/89/573092089.db2.gz IVXYBRQOFBUVOC-SECBINFHSA-N 0 1 151.209 1.599 10 0 ADAEMN C[N@H+]1CC[C@@H](C2CCC2)[C@@H]1C(=O)[O-] 257943320 573092116 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COC(=O)[C@H]1CC[C@@](C)(CC(C)C)N1 215522719 573092918 /nfs/dbraw/zinc/09/29/18/573092918.db2.gz RWVSXNPZCHITRI-KOLCDFICSA-N 0 1 199.294 1.716 10 0 ADAEMN Cc1nc([C@@H](C)N)nc2c1CCCC2 82530513 573093021 /nfs/dbraw/zinc/09/30/21/573093021.db2.gz LFCQPFQPSZJSJI-SSDOTTSWSA-N 0 1 191.278 1.684 10 0 ADAEMN CC(C)c1nnc([C@H](C)N)s1 82529224 573093094 /nfs/dbraw/zinc/09/30/94/573093094.db2.gz FUDKCOLRSNJHJW-YFKPBYRVSA-N 0 1 171.269 1.681 10 0 ADAEMN CN[C@H](N)c1ccc2c(c1)CCCO2 259324905 573093206 /nfs/dbraw/zinc/09/32/06/573093206.db2.gz KZBNUEJVLJBNIL-NSHDSACASA-N 0 1 192.262 1.188 10 0 ADAEMN CC[C@@H]1[N-]C(=S)S[C@H](CC)[NH2+]1 238272898 573093536 /nfs/dbraw/zinc/09/35/36/573093536.db2.gz GSBNTPGALLAWGH-NTSWFWBYSA-N 0 1 190.337 1.670 10 0 ADAEMN CC(=O)SCNC(C)C 104628146 573094261 /nfs/dbraw/zinc/09/42/61/573094261.db2.gz PSOIETKWZMAPIW-UHFFFAOYSA-N 0 1 147.243 1.222 10 0 ADAEMN Cc1ccc([C@H]2COC(CN)=N2)cc1 258234635 573095315 /nfs/dbraw/zinc/09/53/15/573095315.db2.gz PKUZCANBALKGBD-SNVBAGLBSA-N 0 1 190.246 1.424 10 0 ADAEMN CCSC(=O)[C@H](N)C(C)C 238277041 573094672 /nfs/dbraw/zinc/09/46/72/573094672.db2.gz HZJZYFSYUUFDGS-ZCFIWIBFSA-N 0 1 161.270 1.249 10 0 ADAEMN Cc1n[nH]c(Cc2cccc(N)c2)n1 82530158 573094704 /nfs/dbraw/zinc/09/47/04/573094704.db2.gz URAOHCMLRHENII-UHFFFAOYSA-N 0 1 188.234 1.286 10 0 ADAEMN Cc1nnc(Cc2cccc(N)c2)[nH]1 82530158 573094709 /nfs/dbraw/zinc/09/47/09/573094709.db2.gz URAOHCMLRHENII-UHFFFAOYSA-N 0 1 188.234 1.286 10 0 ADAEMN CCC[C@H]1CC[C@H](C(=O)[O-])[N@H+]1C 238276518 573094984 /nfs/dbraw/zinc/09/49/84/573094984.db2.gz WJXPPXHBVXSQFU-JGVFFNPUSA-N 0 1 171.240 1.334 10 0 ADAEMN CC1(C)N[C@H]2CCCCC[C@H]2NC1=O 114595334 573095326 /nfs/dbraw/zinc/09/53/26/573095326.db2.gz AQKAUMFPPMFRGB-BDAKNGLRSA-N 0 1 196.294 1.186 10 0 ADAEMN Cc1oc2cccc(=O)c-2c(O)c1O 114610961 573095344 /nfs/dbraw/zinc/09/53/44/573095344.db2.gz AHUXDLHAOVQXCH-UHFFFAOYSA-N 0 1 192.170 1.513 10 0 ADAEMN O=Nc1ccc(O)c(F)c1 114612673 573095392 /nfs/dbraw/zinc/09/53/92/573095392.db2.gz 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189.218 1.068 10 0 ADAEMN Nc1nc2c(cnc3ccccc32)[nH]1 114691705 573101256 /nfs/dbraw/zinc/10/12/56/573101256.db2.gz PPDAXUPXBAMEFZ-UHFFFAOYSA-N 0 1 184.202 1.693 10 0 ADAEMN CC[C@@H]1C[C@@H](C)C[C@@H](C(=O)[O-])[N@H+]1C 238279006 573101325 /nfs/dbraw/zinc/10/13/25/573101325.db2.gz MQFRVGACLBBKKQ-HLTSFMKQSA-N 0 1 185.267 1.580 10 0 ADAEMN C[C@H](N[C@H]1C[C@H]1CO)c1nccs1 308257477 573101981 /nfs/dbraw/zinc/10/19/81/573101981.db2.gz LOHVVGVXSGJOPI-FXQIFTODSA-N 0 1 198.291 1.175 10 0 ADAEMN CCc1ccc(F)n2c(N)cnc12 238277930 573101989 /nfs/dbraw/zinc/10/19/89/573101989.db2.gz OPHKNZDCNSXGFY-UHFFFAOYSA-N 0 1 179.198 1.618 10 0 ADAEMN NCc1ncc([C@H]2CCSC2)cn1 257941904 573102395 /nfs/dbraw/zinc/10/23/95/573102395.db2.gz GJJGMIHHAPORTP-ZETCQYMHSA-N 0 1 195.291 1.156 10 0 ADAEMN Nc1ccc2nc3n(c2c1)CCN3 114672843 573102697 /nfs/dbraw/zinc/10/26/97/573102697.db2.gz DJMINOCRGAYSFJ-UHFFFAOYSA-N 0 1 174.207 1.044 10 0 ADAEMN NCc1ncc([C@@H]2CCSC2)cn1 257941902 573102753 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NOCc1cc(F)c(O)cc1F 257958159 573171619 /nfs/dbraw/zinc/17/16/19/573171619.db2.gz GJUKFJIHXNJMCY-UHFFFAOYSA-N 0 1 175.134 1.061 10 0 ADAEMN CCc1noc([C@@](C)(N)C2CC2)n1 82757403 573171651 /nfs/dbraw/zinc/17/16/51/573171651.db2.gz YQSPKPSRHWMMKM-VIFPVBQESA-N 0 1 181.239 1.216 10 0 ADAEMN Nc1ccc2oc([C@@H](N)CO)cc2c1 104678620 573171704 /nfs/dbraw/zinc/17/17/04/573171704.db2.gz DJAZTZFCRMAWDQ-QMMMGPOBSA-N 0 1 192.218 1.007 10 0 ADAEMN CCCNCC(=O)c1cn(CC)cn1 308508556 573171760 /nfs/dbraw/zinc/17/17/60/573171760.db2.gz AXMXZFXLVIXHGP-UHFFFAOYSA-N 0 1 195.266 1.085 10 0 ADAEMN O=C([O-])[C@@]1(F)CC[N@H+]2CCC[C@H]2C1 257957683 573172801 /nfs/dbraw/zinc/17/28/01/573172801.db2.gz XCINZJKXTCBKSG-IONNQARKSA-N 0 1 187.214 1.038 10 0 ADAEMN CNC(=S)Sc1ccccc1N 238303765 573172840 /nfs/dbraw/zinc/17/28/40/573172840.db2.gz KQPRSEUCVISSMY-UHFFFAOYSA-N 0 1 198.316 1.865 10 0 ADAEMN Cc1[nH]nc2ccc([C@H](C)CO)cc12 257958148 573172943 /nfs/dbraw/zinc/17/29/43/573172943.db2.gz BNBIJJAMSACUKZ-SSDOTTSWSA-N 0 1 190.246 1.967 10 0 ADAEMN Cc1[nH]nc2ccc([C@@H](C)CO)cc12 257958149 573172976 /nfs/dbraw/zinc/17/29/76/573172976.db2.gz BNBIJJAMSACUKZ-ZETCQYMHSA-N 0 1 190.246 1.967 10 0 ADAEMN C[C@H]1CN[C@H](c2ccncc2)OC1 258568376 573172983 /nfs/dbraw/zinc/17/29/83/573172983.db2.gz PITPJXPBJQTEEY-WPRPVWTQSA-N 0 1 178.235 1.336 10 0 ADAEMN CC(C)c1noc([C@](C)(N)C2CC2)n1 82757400 573173046 /nfs/dbraw/zinc/17/30/46/573173046.db2.gz FFQVVDYRXPUZLO-SNVBAGLBSA-N 0 1 195.266 1.777 10 0 ADAEMN CCC[C@@H]1CN=C([C@@H]2CCCCN2)O1 258237645 573173120 /nfs/dbraw/zinc/17/31/20/573173120.db2.gz POHBRSVQSCKIHE-ZJUUUORDSA-N 0 1 196.294 1.726 10 0 ADAEMN CN1CC[C@@H](C(=O)C(F)(F)F)C1 238304447 573173130 /nfs/dbraw/zinc/17/31/30/573173130.db2.gz SYLVHNIZVDOUII-RXMQYKEDSA-N 0 1 181.157 1.070 10 0 ADAEMN CCn1ccnc1NC(C)(C)CCO 125793147 573173337 /nfs/dbraw/zinc/17/33/37/573173337.db2.gz UQGQEWMEIVKWLL-UHFFFAOYSA-N 0 1 197.282 1.476 10 0 ADAEMN O[C@H](CNCC1(F)CC1)c1ccco1 308508918 573173345 /nfs/dbraw/zinc/17/33/45/573173345.db2.gz HYSORASPXGTUDM-MRVPVSSYSA-N 0 1 199.225 1.405 10 0 ADAEMN CN1CCC[C@](O)(c2cnsc2)C1 404926037 573173415 /nfs/dbraw/zinc/17/34/15/573173415.db2.gz JUAFPXHQQICMML-SECBINFHSA-N 0 1 198.291 1.056 10 0 ADAEMN CC[C@@H](C)C[N@H+](/C=C/C(=O)[O-])CC 125794981 573173471 /nfs/dbraw/zinc/17/34/71/573173471.db2.gz RIOXREZVKROCSU-XCODYQFDSA-N 0 1 185.267 1.953 10 0 ADAEMN O=C([O-])[C@]1(F)CC[N@H+]2CCC[C@H]2C1 257957679 573173479 /nfs/dbraw/zinc/17/34/79/573173479.db2.gz XCINZJKXTCBKSG-CBAPKCEASA-N 0 1 187.214 1.038 10 0 ADAEMN O=C([O-])[C@@]1(F)CC[N@H+]2CCC[C@@H]2C1 257957686 573173767 /nfs/dbraw/zinc/17/37/67/573173767.db2.gz XCINZJKXTCBKSG-VXNVDRBHSA-N 0 1 187.214 1.038 10 0 ADAEMN CC[C@H](C)C[N@H+](/C=C/C(=O)[O-])CC 125795205 573173810 /nfs/dbraw/zinc/17/38/10/573173810.db2.gz RIOXREZVKROCSU-UCUJLANTSA-N 0 1 185.267 1.953 10 0 ADAEMN NC1(c2nccnc2Cl)CC1 104678418 573173876 /nfs/dbraw/zinc/17/38/76/573173876.db2.gz ZVHHTZLZBJMDTJ-UHFFFAOYSA-N 0 1 169.615 1.078 10 0 ADAEMN CN1CC[C@@H](C(C)(C)C)C[C@@H]1C(N)=O 238304534 573173903 /nfs/dbraw/zinc/17/39/03/573173903.db2.gz HVPQVVDKEKUEHM-RKDXNWHRSA-N 0 1 198.310 1.228 10 0 ADAEMN CCC[C@H]1CN=C([C@@H]2CCCCN2)O1 258237637 573173952 /nfs/dbraw/zinc/17/39/52/573173952.db2.gz POHBRSVQSCKIHE-UWVGGRQHSA-N 0 1 196.294 1.726 10 0 ADAEMN CC(C)c1noc([C@@](C)(N)C2CC2)n1 82757401 573173976 /nfs/dbraw/zinc/17/39/76/573173976.db2.gz FFQVVDYRXPUZLO-JTQLQIEISA-N 0 1 195.266 1.777 10 0 ADAEMN CN[C@H](OC)c1cc(C)ccc1OC 259355187 573174011 /nfs/dbraw/zinc/17/40/11/573174011.db2.gz UARRANBGDPYXQZ-LLVKDONJSA-N 0 1 195.262 1.868 10 0 ADAEMN C[C@@](N)(c1nc(C2CC2)no1)C1CC1 82757408 573174339 /nfs/dbraw/zinc/17/43/39/573174339.db2.gz PSRBJEMAMJFLFH-JTQLQIEISA-N 0 1 193.250 1.531 10 0 ADAEMN CNCC(=O)c1cc(O)cc(C)c1F 257958163 573174363 /nfs/dbraw/zinc/17/43/63/573174363.db2.gz BNQLKEWCXFNILP-UHFFFAOYSA-N 0 1 197.209 1.242 10 0 ADAEMN Cc1cc(CN[C@H]2C=CCC2)on1 642858739 573174540 /nfs/dbraw/zinc/17/45/40/573174540.db2.gz NPZGEZUSQKIFRC-VIFPVBQESA-N 0 1 178.235 1.216 10 0 ADAEMN CCc1[nH]c(CC(C)=O)nc1C 258568619 573174437 /nfs/dbraw/zinc/17/44/37/573174437.db2.gz NCYKRWPVKYRKOY-UHFFFAOYSA-N 0 1 166.224 1.412 10 0 ADAEMN Nc1ccc(Cl)nc1C1(N)CC1 104677684 573174481 /nfs/dbraw/zinc/17/44/81/573174481.db2.gz FTOLLVIKUMJWGC-UHFFFAOYSA-N 0 1 183.642 1.265 10 0 ADAEMN Cc1cc(C)nc(C2(N)CC2)n1 104675896 573174558 /nfs/dbraw/zinc/17/45/58/573174558.db2.gz ASXGDCQMOFATBF-UHFFFAOYSA-N 0 1 163.224 1.041 10 0 ADAEMN C[C@@H]1CN[C@@H](c2ccncc2)OC1 258568368 573174625 /nfs/dbraw/zinc/17/46/25/573174625.db2.gz PITPJXPBJQTEEY-PSASIEDQSA-N 0 1 178.235 1.336 10 0 ADAEMN CCSCCNCc1nccn1C 128958684 573174687 /nfs/dbraw/zinc/17/46/87/573174687.db2.gz PBRSMAAXTWZOGY-UHFFFAOYSA-N 0 1 199.323 1.263 10 0 ADAEMN CN(C)/C(=C/CO)c1ccccc1 238304190 573174696 /nfs/dbraw/zinc/17/46/96/573174696.db2.gz BZRDJLAVUCQAKY-DHZHZOJOSA-N 0 1 177.247 1.581 10 0 ADAEMN CN[C@H]1COc2ccc(Cl)cc2O1 115277979 573174969 /nfs/dbraw/zinc/17/49/69/573174969.db2.gz PSOHKGNHQQUTTE-SECBINFHSA-N 0 1 199.637 1.657 10 0 ADAEMN CN[C@@H]1COc2cc(Cl)ccc2O1 115278031 573175191 /nfs/dbraw/zinc/17/51/91/573175191.db2.gz AHDKTDHLVNTSTQ-VIFPVBQESA-N 0 1 199.637 1.657 10 0 ADAEMN C[C@H]1CN[C@@H](c2ccncc2)OC1 258568373 573175296 /nfs/dbraw/zinc/17/52/96/573175296.db2.gz PITPJXPBJQTEEY-WCBMZHEXSA-N 0 1 178.235 1.336 10 0 ADAEMN CN[C@H]1COc2cc(Cl)ccc2O1 115278033 573175414 /nfs/dbraw/zinc/17/54/14/573175414.db2.gz AHDKTDHLVNTSTQ-SECBINFHSA-N 0 1 199.637 1.657 10 0 ADAEMN CNCC(=O)c1cc(F)ccc1C=O 257960366 573175422 /nfs/dbraw/zinc/17/54/22/573175422.db2.gz BTGBWBUDKJTOFN-UHFFFAOYSA-N 0 1 195.193 1.040 10 0 ADAEMN CN[C@@H]1COc2ccc(Cl)cc2O1 115277977 573175517 /nfs/dbraw/zinc/17/55/17/573175517.db2.gz PSOHKGNHQQUTTE-VIFPVBQESA-N 0 1 199.637 1.657 10 0 ADAEMN CCCc1cc(C(C)=O)[nH]n1 258567801 573175715 /nfs/dbraw/zinc/17/57/15/573175715.db2.gz RHPGGTKPPWMZFL-UHFFFAOYSA-N 0 1 152.197 1.565 10 0 ADAEMN NC(N)c1ccc2c(c1)CCCC2 259354482 573175880 /nfs/dbraw/zinc/17/58/80/573175880.db2.gz MBWRGFHBAXUSJO-UHFFFAOYSA-N 0 1 176.263 1.481 10 0 ADAEMN CCc1[nH]c(CCC(=O)OC)nc1C 258568446 573175945 /nfs/dbraw/zinc/17/59/45/573175945.db2.gz MZNNPSIRBQQZFL-UHFFFAOYSA-N 0 1 196.250 1.386 10 0 ADAEMN [NH3+]Cc1cc(C2CC2)ncc1[O-] 258565679 573176198 /nfs/dbraw/zinc/17/61/98/573176198.db2.gz JLBRDRCGUVFKIH-UHFFFAOYSA-N 0 1 164.208 1.123 10 0 ADAEMN CN[C@@H](OC)c1cc(C)ccc1OC 259355191 573176353 /nfs/dbraw/zinc/17/63/53/573176353.db2.gz UARRANBGDPYXQZ-NSHDSACASA-N 0 1 195.262 1.868 10 0 ADAEMN CC(C)[N@H+]1CCC[C@@H]1n1cc([O-])cn1 257960044 573176482 /nfs/dbraw/zinc/17/64/82/573176482.db2.gz NBTFBNYIRINNHP-JTQLQIEISA-N 0 1 195.266 1.592 10 0 ADAEMN C[C@@H]1CN[C@H](c2ccncc2)OC1 258568370 573176500 /nfs/dbraw/zinc/17/65/00/573176500.db2.gz PITPJXPBJQTEEY-SCZZXKLOSA-N 0 1 178.235 1.336 10 0 ADAEMN Cc1cc([C@H]2COCCN2)ccc1N 104679403 573177418 /nfs/dbraw/zinc/17/74/18/573177418.db2.gz HIMGOEORXFVMLW-LLVKDONJSA-N 0 1 192.262 1.238 10 0 ADAEMN Cc1cc(N)ccc1[C@H]1COCCN1 104679392 573177533 /nfs/dbraw/zinc/17/75/33/573177533.db2.gz VSSQGFUTCHJPBV-LLVKDONJSA-N 0 1 192.262 1.238 10 0 ADAEMN Cc1ccc(OCC(=O)[C@H](C)N)cc1 258570281 573177641 /nfs/dbraw/zinc/17/76/41/573177641.db2.gz GFVHMWUGYMMVHR-VIFPVBQESA-N 0 1 193.246 1.290 10 0 ADAEMN Cc1cc(=O)n(CCC(C)C)[nH]1 104681053 573177826 /nfs/dbraw/zinc/17/78/26/573177826.db2.gz FQVXSGDDTAXDBW-UHFFFAOYSA-N 0 1 168.240 1.641 10 0 ADAEMN CC[N@@H+]1CCCC[C@H]1c1nc(=O)o[n-]1 257958618 573177866 /nfs/dbraw/zinc/17/78/66/573177866.db2.gz IZYXYWXHSPCIAF-ZETCQYMHSA-N 0 1 197.238 1.322 10 0 ADAEMN CC[N@H+]1CCCC[C@H]1c1nc(=O)o[n-]1 257958618 573177871 /nfs/dbraw/zinc/17/78/71/573177871.db2.gz IZYXYWXHSPCIAF-ZETCQYMHSA-N 0 1 197.238 1.322 10 0 ADAEMN Cc1ccc(OCC(=O)[C@@H](C)N)cc1 258570278 573178054 /nfs/dbraw/zinc/17/80/54/573178054.db2.gz GFVHMWUGYMMVHR-SECBINFHSA-N 0 1 193.246 1.290 10 0 ADAEMN CO[C@H](C)[C@@H](N)c1cnc(C)s1 642860164 573178124 /nfs/dbraw/zinc/17/81/24/573178124.db2.gz KLYDBCJSTHKCMK-SVGQVSJJSA-N 0 1 185.272 1.158 10 0 ADAEMN CNCn1cc(OC(C)(C)C)cn1 257960048 573178303 /nfs/dbraw/zinc/17/83/03/573178303.db2.gz NBXWMLZEBRIHQS-UHFFFAOYSA-N 0 1 183.255 1.237 10 0 ADAEMN COc1nc(Cl)c(CN)s1 258570329 573178531 /nfs/dbraw/zinc/17/85/31/573178531.db2.gz PVRRSJXHNSKCKU-UHFFFAOYSA-N 0 1 178.644 1.264 10 0 ADAEMN CC(C)[N@H+]1CCC[C@H]1n1cc([O-])cn1 257960045 573178551 /nfs/dbraw/zinc/17/85/51/573178551.db2.gz NBTFBNYIRINNHP-SNVBAGLBSA-N 0 1 195.266 1.592 10 0 ADAEMN CC[N@@H+]1CCCC[C@@H]1c1nc(=O)o[n-]1 257958616 573178941 /nfs/dbraw/zinc/17/89/41/573178941.db2.gz IZYXYWXHSPCIAF-SSDOTTSWSA-N 0 1 197.238 1.322 10 0 ADAEMN CC[N@H+]1CCCC[C@@H]1c1nc(=O)o[n-]1 257958616 573178947 /nfs/dbraw/zinc/17/89/47/573178947.db2.gz IZYXYWXHSPCIAF-SSDOTTSWSA-N 0 1 197.238 1.322 10 0 ADAEMN CN[C@H](c1cnc(C)[nH]1)C(F)(F)F 104680070 573179185 /nfs/dbraw/zinc/17/91/85/573179185.db2.gz FRAYUNPCAARESA-ZCFIWIBFSA-N 0 1 193.172 1.541 10 0 ADAEMN CN[C@H]1CCN1Cc1ccccc1 88247625 573179941 /nfs/dbraw/zinc/17/99/41/573179941.db2.gz BDTDISFZAVJFJG-LLVKDONJSA-N 0 1 176.263 1.438 10 0 ADAEMN Cc1cc([C@@H]2COCCN2)ccc1N 104679399 573180069 /nfs/dbraw/zinc/18/00/69/573180069.db2.gz HIMGOEORXFVMLW-NSHDSACASA-N 0 1 192.262 1.238 10 0 ADAEMN CN[C@@H](c1cnc(C)[nH]1)C(F)(F)F 104680066 573180209 /nfs/dbraw/zinc/18/02/09/573180209.db2.gz FRAYUNPCAARESA-LURJTMIESA-N 0 1 193.172 1.541 10 0 ADAEMN CCOc1ccc([C@@H](N)OC)cc1C 259359807 573180426 /nfs/dbraw/zinc/18/04/26/573180426.db2.gz KCTDOGWNMSGGFS-NSHDSACASA-N 0 1 195.262 1.997 10 0 ADAEMN CC[C@]1(C)NCCC[N@H+]1C(C)C 238306537 573180817 /nfs/dbraw/zinc/18/08/17/573180817.db2.gz DEZFNHUAZWOJMU-SNVBAGLBSA-N 0 1 170.300 1.816 10 0 ADAEMN CSCc1ncc(N)n1C(C)C 257960734 573180591 /nfs/dbraw/zinc/18/05/91/573180591.db2.gz YFORHEVMWIRNHA-UHFFFAOYSA-N 0 1 185.296 1.909 10 0 ADAEMN CCOc1ccc([C@H](N)OC)cc1C 259359805 573180692 /nfs/dbraw/zinc/18/06/92/573180692.db2.gz KCTDOGWNMSGGFS-LLVKDONJSA-N 0 1 195.262 1.997 10 0 ADAEMN Cc1cc(C=O)c2[nH]ncc2c1 259603012 573181008 /nfs/dbraw/zinc/18/10/08/573181008.db2.gz ZIRHSGHJQKBDIH-UHFFFAOYSA-N 0 1 160.176 1.684 10 0 ADAEMN Cc1ccc([C@H]2COCCN2)cc1N 104679407 573181068 /nfs/dbraw/zinc/18/10/68/573181068.db2.gz TYAGJRNMKKQMOQ-LLVKDONJSA-N 0 1 192.262 1.238 10 0 ADAEMN CC[C@H]1CCC[C@@H]2CC(=O)C[N@@H+]12 238305037 573181077 /nfs/dbraw/zinc/18/10/77/573181077.db2.gz VVQUHBXGSRUAAS-DTWKUNHWSA-N 0 1 167.252 1.592 10 0 ADAEMN Cc1cnc(N)c(C[C@@H](C)CO)c1 82764788 573181312 /nfs/dbraw/zinc/18/13/12/573181312.db2.gz ZYQUAQTUDANLQD-MRVPVSSYSA-N 0 1 180.251 1.143 10 0 ADAEMN CCc1coc(C2(N)CCCC2)n1 257960838 573181391 /nfs/dbraw/zinc/18/13/91/573181391.db2.gz XIDFGXBFHVRQMC-UHFFFAOYSA-N 0 1 180.251 1.965 10 0 ADAEMN C[N@@H+]1CCC[C@H]2CCC(C)(C)N[C@@H]21 238305649 573181850 /nfs/dbraw/zinc/18/18/50/573181850.db2.gz NOXCQSOJQKDCMJ-VHSXEESVSA-N 0 1 182.311 1.816 10 0 ADAEMN CCc1cc(C)n2c(N)cnc2c1 238305632 573181913 /nfs/dbraw/zinc/18/19/13/573181913.db2.gz KEZNATJSOPIGTM-UHFFFAOYSA-N 0 1 175.235 1.787 10 0 ADAEMN OCc1cc([C@@H]2CCCS2)n[nH]1 259359189 573181935 /nfs/dbraw/zinc/18/19/35/573181935.db2.gz USIYVUJZCFQUPD-QMMMGPOBSA-N 0 1 184.264 1.470 10 0 ADAEMN CC(=O)[C@H](N)c1cc(C)c(N)c(C)c1 104683880 573181939 /nfs/dbraw/zinc/18/19/39/573181939.db2.gz PHDANEYSNWHEQZ-NSHDSACASA-N 0 1 192.262 1.474 10 0 ADAEMN CC1(C)[C@@H](C(=O)[O-])CC[N@H+]1C1CC1 259359831 573182114 /nfs/dbraw/zinc/18/21/14/573182114.db2.gz KDWUWAUCWMJNIJ-MRVPVSSYSA-N 0 1 183.251 1.334 10 0 ADAEMN CCc1cccc2c1C[C@H](N)C(=O)N2 238305748 573182742 /nfs/dbraw/zinc/18/27/42/573182742.db2.gz UPMJXPBXMDDQIZ-VIFPVBQESA-N 0 1 190.246 1.071 10 0 ADAEMN Cc1cnc(N)c(C[C@H](C)CO)c1 82764789 573182759 /nfs/dbraw/zinc/18/27/59/573182759.db2.gz ZYQUAQTUDANLQD-QMMMGPOBSA-N 0 1 180.251 1.143 10 0 ADAEMN O=C1CCc2c1cc(F)c(F)c2O 104682577 573185891 /nfs/dbraw/zinc/18/58/91/573185891.db2.gz UNCYBTIAXQSJDB-UHFFFAOYSA-N 0 1 184.141 1.799 10 0 ADAEMN CC[C@@H]1C/C(=C\C(=O)[O-])CC[N@H+]1C 238300406 573184945 /nfs/dbraw/zinc/18/49/45/573184945.db2.gz XUWSKNNQLGAMGM-UFGYOYAJSA-N 0 1 183.251 1.502 10 0 ADAEMN CCc1c(OC)ccn2c(N)cnc12 238306155 573185021 /nfs/dbraw/zinc/18/50/21/573185021.db2.gz DMIVIEHDNGEMMT-UHFFFAOYSA-N 0 1 191.234 1.488 10 0 ADAEMN C[C@]1(F)CCCc2n[nH]c(C=O)c21 257962286 573185086 /nfs/dbraw/zinc/18/50/86/573185086.db2.gz XPCVGVMSJNPECJ-VIFPVBQESA-N 0 1 182.198 1.743 10 0 ADAEMN CCc1c(OC)ccn2cncc12 238306174 573185285 /nfs/dbraw/zinc/18/52/85/573185285.db2.gz DHUJPEOVWUTAAB-UHFFFAOYSA-N 0 1 176.219 1.905 10 0 ADAEMN Cc1ccnc(N)c1C[C@H](C)CO 82764662 573185443 /nfs/dbraw/zinc/18/54/43/573185443.db2.gz SGLDHBPZEYEFDQ-ZETCQYMHSA-N 0 1 180.251 1.143 10 0 ADAEMN Nc1cnc(N2CCCCC2)c(N)c1 142154140 573185446 /nfs/dbraw/zinc/18/54/46/573185446.db2.gz FINBQQITZDVQQC-UHFFFAOYSA-N 0 1 192.266 1.236 10 0 ADAEMN CNCNc1cccc(C(=O)OC)c1 258572096 573185647 /nfs/dbraw/zinc/18/56/47/573185647.db2.gz CZHYRQFWCJFXKA-UHFFFAOYSA-N 0 1 194.234 1.062 10 0 ADAEMN Cc1c(N)cccc1[C@H]1COCCN1 104684319 573185689 /nfs/dbraw/zinc/18/56/89/573185689.db2.gz YYHUOSCHPJSTHG-LLVKDONJSA-N 0 1 192.262 1.238 10 0 ADAEMN CC(=O)[C@@H](N)c1cc(C)c(N)c(C)c1 104683878 573186179 /nfs/dbraw/zinc/18/61/79/573186179.db2.gz PHDANEYSNWHEQZ-LLVKDONJSA-N 0 1 192.262 1.474 10 0 ADAEMN [NH3+][C@H](Sc1cccs1)C(=O)[O-] 259361471 573186182 /nfs/dbraw/zinc/18/61/82/573186182.db2.gz ZNXKFFUMEOAPBW-RXMQYKEDSA-N 0 1 189.261 1.210 10 0 ADAEMN COC[C@H](C)Nc1nc(C2CC2)c[nH]1 308514632 573186323 /nfs/dbraw/zinc/18/63/23/573186323.db2.gz MGNCCYGGCWZZMB-ZETCQYMHSA-N 0 1 195.266 1.734 10 0 ADAEMN Cn1ccc(CN[C@H]2C[C@H]2C2CC2)n1 308514560 573186348 /nfs/dbraw/zinc/18/63/48/573186348.db2.gz MJXUEFQDRWYXAD-QWRGUYRKSA-N 0 1 191.278 1.308 10 0 ADAEMN CCc1nc(CO)[nH]c1C(C)C 258486019 573187267 /nfs/dbraw/zinc/18/72/67/573187267.db2.gz JQISIQRURNUFET-UHFFFAOYSA-N 0 1 168.240 1.588 10 0 ADAEMN Cn1ccc(CN[C@H]2C[C@@H]2C2CC2)n1 308514558 573187477 /nfs/dbraw/zinc/18/74/77/573187477.db2.gz MJXUEFQDRWYXAD-MNOVXSKESA-N 0 1 191.278 1.308 10 0 ADAEMN 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O=C1CCNC[C@@H]1c1ccc(O)cc1 74272833 573295232 /nfs/dbraw/zinc/29/52/32/573295232.db2.gz CQPHYTHBOURQSS-SNVBAGLBSA-N 0 1 191.230 1.038 10 0 ADAEMN Cc1cccc(C)c1CC(=O)[C@H](C)N 74271908 573295253 /nfs/dbraw/zinc/29/52/53/573295253.db2.gz CVUMPLCVYXVLGA-JTQLQIEISA-N 0 1 191.274 1.762 10 0 ADAEMN COC(=O)[C@]1(C)C[C@H](C(C)C)CN1 257996784 573295405 /nfs/dbraw/zinc/29/54/05/573295405.db2.gz ABGOHWBZWRHULC-WPRPVWTQSA-N 0 1 185.267 1.184 10 0 ADAEMN C[C@H](N)c1cc(-c2cccnc2)no1 74276343 573296278 /nfs/dbraw/zinc/29/62/78/573296278.db2.gz BMRXJCMJLNLCLK-ZETCQYMHSA-N 0 1 189.218 1.756 10 0 ADAEMN CC[C@@H](C)[N@H+]1C[C@@H](C(=O)[O-])CC1(C)C 259407548 573296297 /nfs/dbraw/zinc/29/62/97/573296297.db2.gz MQNSRIPFPOTZNH-BDAKNGLRSA-N 0 1 199.294 1.970 10 0 ADAEMN Cc1cccc([C@@H]2CNCCC2=O)n1 74274203 573296248 /nfs/dbraw/zinc/29/62/48/573296248.db2.gz HQLQDRDEWJXESA-VIFPVBQESA-N 0 1 190.246 1.036 10 0 ADAEMN Cc1cccc(C)c1CC(=O)[C@@H](C)N 74271905 573296347 /nfs/dbraw/zinc/29/63/47/573296347.db2.gz 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1 169.224 1.395 10 0 ADAEMN CCc1ccc(NCN)cc1 258643035 573400678 /nfs/dbraw/zinc/40/06/78/573400678.db2.gz LYWVEXLIEKLEFD-UHFFFAOYSA-N 0 1 150.225 1.577 10 0 ADAEMN CC[C@@H](C)[C@H](NC)c1ncccn1 86390629 573400808 /nfs/dbraw/zinc/40/08/08/573400808.db2.gz DJBPTBFJZNHTPA-BDAKNGLRSA-N 0 1 179.267 1.783 10 0 ADAEMN Cc1c(F)cccc1C(=O)[C@@H](C)N 107169219 573400849 /nfs/dbraw/zinc/40/08/49/573400849.db2.gz PIFDVUMIZLNEQS-SSDOTTSWSA-N 0 1 181.210 1.664 10 0 ADAEMN C[N@H+]1CC[C@@H](CC(=O)[O-])[C@@H]1C1CC1 107171357 573400863 /nfs/dbraw/zinc/40/08/63/573400863.db2.gz DQLSQVLUNGJONK-WPRPVWTQSA-N 0 1 183.251 1.191 10 0 ADAEMN CCC[N@@H+](CC(=O)[O-])[C@@H]1C[C@H](C)[C@@H]1C 308571961 573400877 /nfs/dbraw/zinc/40/08/77/573400877.db2.gz KVFDKERYUBYRCU-LPEHRKFASA-N 0 1 199.294 1.828 10 0 ADAEMN CCC[N@@H+](CC(=O)[O-])[C@@H]1C[C@H](C)[C@H]1C 308571959 573400908 /nfs/dbraw/zinc/40/09/08/573400908.db2.gz KVFDKERYUBYRCU-IVZWLZJFSA-N 0 1 199.294 1.828 10 0 ADAEMN [NH3+][C@H]1CCc2cc(F)c([O-])c(F)c21 211735576 573402649 /nfs/dbraw/zinc/40/26/49/573402649.db2.gz FGHWIJWSZSYPST-LURJTMIESA-N 0 1 185.173 1.616 10 0 ADAEMN C[C@H](N)C(F)(F)[C@H]1CCOC1 258644203 573401697 /nfs/dbraw/zinc/40/16/97/573401697.db2.gz YYPMDGPEUTZNMA-WDSKDSINSA-N 0 1 165.183 1.005 10 0 ADAEMN CC(C)C[C@]([NH3+])(C(=O)[O-])C(C)(F)F 257810377 573401802 /nfs/dbraw/zinc/40/18/02/573401802.db2.gz AIRURNVGKLWMMV-QMMMGPOBSA-N 0 1 195.209 1.470 10 0 ADAEMN O=c1ccnc(Oc2ccccc2)[nH]1 118387385 573401850 /nfs/dbraw/zinc/40/18/50/573401850.db2.gz LFUBLDVCGFHSEQ-UHFFFAOYSA-N 0 1 188.186 1.562 10 0 ADAEMN CC(C)C[C@@]([NH3+])(C(=O)[O-])C(C)(F)F 257810376 573402099 /nfs/dbraw/zinc/40/20/99/573402099.db2.gz AIRURNVGKLWMMV-MRVPVSSYSA-N 0 1 195.209 1.470 10 0 ADAEMN CC(C)Oc1ccc(C(N)N)cc1 259096154 573402595 /nfs/dbraw/zinc/40/25/95/573402595.db2.gz AQSYIDHTNFWJIB-UHFFFAOYSA-N 0 1 180.251 1.390 10 0 ADAEMN Cc1ccc([C@H](O)N(C)C)c(C)c1 259440873 573402413 /nfs/dbraw/zinc/40/24/13/573402413.db2.gz IVAGGAGPZHNUMP-NSHDSACASA-N 0 1 179.263 1.856 10 0 ADAEMN CCCc1csc([C@@H](N)CO)n1 259095462 573402607 /nfs/dbraw/zinc/40/26/07/573402607.db2.gz DSRVRVJFCXKFRT-ZETCQYMHSA-N 0 1 186.280 1.088 10 0 ADAEMN C[C@H](N)C(F)(F)[C@@H]1CCOC1 258644184 573402433 /nfs/dbraw/zinc/40/24/33/573402433.db2.gz YYPMDGPEUTZNMA-NTSWFWBYSA-N 0 1 165.183 1.005 10 0 ADAEMN CC(C)[N@H+]1CCC[C@H](/C=C\C(=O)[O-])C1 258342790 573402612 /nfs/dbraw/zinc/40/26/12/573402612.db2.gz XXDYHKWMXVTYRV-WWQCOOJYSA-N 0 1 197.278 1.748 10 0 ADAEMN COc1ccoc1[C@H](N)C(C)C 238388228 573403183 /nfs/dbraw/zinc/40/31/83/573403183.db2.gz BMGIYWAPMDHJMV-MRVPVSSYSA-N 0 1 169.224 1.944 10 0 ADAEMN CC1(C)CN[C@H](c2ccc(O)cc2)O1 258343060 573403234 /nfs/dbraw/zinc/40/32/34/573403234.db2.gz FEPLVVBPORAXSA-JTQLQIEISA-N 0 1 193.246 1.789 10 0 ADAEMN COc1ccoc1[C@@H](N)C1CC1 238388074 573403308 /nfs/dbraw/zinc/40/33/08/573403308.db2.gz YECGBTJIBHDLKQ-QMMMGPOBSA-N 0 1 167.208 1.698 10 0 ADAEMN C[N@H+]1Cc2[n-]n(C3CCC3)c(=O)c2C1 257810393 573403356 /nfs/dbraw/zinc/40/33/56/573403356.db2.gz AJPJPCYHOLZOFB-UHFFFAOYSA-N 0 1 193.250 1.259 10 0 ADAEMN O=C1CCN[C@@H]1Cc1ccc(F)cc1 107180668 573403712 /nfs/dbraw/zinc/40/37/12/573403712.db2.gz ZSTBKLIPOAUDAJ-SNVBAGLBSA-N 0 1 193.221 1.299 10 0 ADAEMN CC[C@@H](F)CN[C@@H](C)c1cnn(C)c1 308574153 573404605 /nfs/dbraw/zinc/40/46/05/573404605.db2.gz CWCDNALBKPKZTL-WCBMZHEXSA-N 0 1 199.273 1.819 10 0 ADAEMN CN(C)CCNOCc1ccccc1 83116108 573404756 /nfs/dbraw/zinc/40/47/56/573404756.db2.gz QDHSZTZMLIZDCD-UHFFFAOYSA-N 0 1 194.278 1.269 10 0 ADAEMN COc1ccc2[nH]c(CN)nc2c1C 238380508 573405404 /nfs/dbraw/zinc/40/54/04/573405404.db2.gz ZMQCOKOZUBTCOH-UHFFFAOYSA-N 0 1 191.234 1.339 10 0 ADAEMN C[C@]1(F)CCc2[nH]nc(CO)c21 258646901 573407067 /nfs/dbraw/zinc/40/70/67/573407067.db2.gz ZFSFNWYMLVFWFO-QMMMGPOBSA-N 0 1 170.187 1.033 10 0 ADAEMN CC[C@H](F)CN[C@@H](C)c1cnn(C)c1 308574154 573407138 /nfs/dbraw/zinc/40/71/38/573407138.db2.gz CWCDNALBKPKZTL-WPRPVWTQSA-N 0 1 199.273 1.819 10 0 ADAEMN CC(C)(C)Cc1cc(N)c(N)nn1 259441792 573407309 /nfs/dbraw/zinc/40/73/09/573407309.db2.gz LTPQPZQEUKZMIF-UHFFFAOYSA-N 0 1 180.255 1.230 10 0 ADAEMN COC(=O)c1cc(C)c2cncn2c1 238380635 573407321 /nfs/dbraw/zinc/40/73/21/573407321.db2.gz MCUMIZCVAAAPSV-UHFFFAOYSA-N 0 1 190.202 1.429 10 0 ADAEMN Cc1c(N)c(O)c2ncccc2c1N 118487012 573408194 /nfs/dbraw/zinc/40/81/94/573408194.db2.gz LKURDWAORLIZED-UHFFFAOYSA-N 0 1 189.218 1.413 10 0 ADAEMN Cc1c(N)c([O-])c2[nH+]cccc2c1N 118487012 573408201 /nfs/dbraw/zinc/40/82/01/573408201.db2.gz LKURDWAORLIZED-UHFFFAOYSA-N 0 1 189.218 1.413 10 0 ADAEMN CCSc1cc2nc(C)[nH]n2n1 118495086 573408280 /nfs/dbraw/zinc/40/82/80/573408280.db2.gz HKMBTGGQZAEIOB-UHFFFAOYSA-N 0 1 182.252 1.478 10 0 ADAEMN CO[C@@]1(c2cccc(C=O)c2)CCN1 238389941 573408376 /nfs/dbraw/zinc/40/83/76/573408376.db2.gz WYBQEKFYFYCBHI-LLVKDONJSA-N 0 1 191.230 1.292 10 0 ADAEMN NCC(F)(F)C[C@H]1CCCCO1 257811155 573408751 /nfs/dbraw/zinc/40/87/51/573408751.db2.gz AXKHVFOOAUMMOO-SSDOTTSWSA-N 0 1 179.210 1.540 10 0 ADAEMN COc1ccc2[nH]c(N)nc2c1F 238381293 573409696 /nfs/dbraw/zinc/40/96/96/573409696.db2.gz QLGAOQREJKMPNP-UHFFFAOYSA-N 0 1 181.170 1.293 10 0 ADAEMN NC1(c2coc3ccccc23)COC1 259097162 573409861 /nfs/dbraw/zinc/40/98/61/573409861.db2.gz FHEAOJGTARVEEM-UHFFFAOYSA-N 0 1 189.214 1.617 10 0 ADAEMN COc1ccc2[nH]c(N)nc2c1Cl 238381273 573409888 /nfs/dbraw/zinc/40/98/88/573409888.db2.gz RRCYALVROUOQAW-UHFFFAOYSA-N 0 1 197.625 1.807 10 0 ADAEMN COC(=O)c1cc(C)cc2c1CNC2 238381239 573409901 /nfs/dbraw/zinc/40/99/01/573409901.db2.gz JQNLBENBURJQBA-UHFFFAOYSA-N 0 1 191.230 1.385 10 0 ADAEMN C[C@@H](N)c1nccc(-c2cc[nH]c2)n1 259097193 573409913 /nfs/dbraw/zinc/40/99/13/573409913.db2.gz NKNGCRWDRWIAMJ-SSDOTTSWSA-N 0 1 188.234 1.491 10 0 ADAEMN COc1ccc(O)c2snnc12 238381981 573411648 /nfs/dbraw/zinc/41/16/48/573411648.db2.gz UHQQLVCOPFSUPI-UHFFFAOYSA-N 0 1 182.204 1.406 10 0 ADAEMN CCc1ccc(C)cc1C(=O)CNC 258018967 573411654 /nfs/dbraw/zinc/41/16/54/573411654.db2.gz HXZPGCQPWINJRP-UHFFFAOYSA-N 0 1 191.274 1.960 10 0 ADAEMN C[C@H](N)c1nccc(-c2cc[nH]c2)n1 259097197 573411605 /nfs/dbraw/zinc/41/16/05/573411605.db2.gz NKNGCRWDRWIAMJ-ZETCQYMHSA-N 0 1 188.234 1.491 10 0 ADAEMN CC/C=C(\C)C[N@H+]1CCC[C@@H]1C(=O)[O-] 308385806 573410967 /nfs/dbraw/zinc/41/09/67/573410967.db2.gz DILHQMUPAGDRCV-NAZIUFLLSA-N 0 1 197.278 1.892 10 0 ADAEMN CCC[C@](C)(N)C(=O)c1cn(C)cn1 308577610 573411612 /nfs/dbraw/zinc/41/16/12/573411612.db2.gz IFEQKWCUXZMLOW-JTQLQIEISA-N 0 1 195.266 1.120 10 0 ADAEMN Nc1ccncc1C(=O)C1CCC1 83120226 573411410 /nfs/dbraw/zinc/41/14/10/573411410.db2.gz BYBYBZOVMBGMKK-UHFFFAOYSA-N 0 1 176.219 1.647 10 0 ADAEMN COc1nc2c(Cl)[nH]nc2cc1C 238382050 573411501 /nfs/dbraw/zinc/41/15/01/573411501.db2.gz SECHIUPPCLYYBQ-UHFFFAOYSA-N 0 1 197.625 1.928 10 0 ADAEMN Cn1cnc([C@H](N)COC(C)(C)C)c1 308578598 573411870 /nfs/dbraw/zinc/41/18/70/573411870.db2.gz IRDVBBQAAIZAOK-MRVPVSSYSA-N 0 1 197.282 1.235 10 0 ADAEMN CO[C@H](N)c1ccc2ncoc2c1 259443091 573413327 /nfs/dbraw/zinc/41/33/27/573413327.db2.gz NRUUGOXYINYZRQ-VIFPVBQESA-N 0 1 178.191 1.432 10 0 ADAEMN COC(=O)c1cc(C)n2cncc2c1 238381481 573413434 /nfs/dbraw/zinc/41/34/34/573413434.db2.gz WHYSGPAXSFXHQC-UHFFFAOYSA-N 0 1 190.202 1.429 10 0 ADAEMN COc1cc(C)cn2c(N)cnc12 238382847 573413447 /nfs/dbraw/zinc/41/34/47/573413447.db2.gz YVPJBXHSLPFDAM-UHFFFAOYSA-N 0 1 177.207 1.234 10 0 ADAEMN Cc1nc[nH]c1[C@H]1CSCCN1 257810682 573414573 /nfs/dbraw/zinc/41/45/73/573414573.db2.gz APCNNHUMBHLLCG-SSDOTTSWSA-N 0 1 183.280 1.096 10 0 ADAEMN CCc1noc([C@H](C)N)c1C 107219747 573413811 /nfs/dbraw/zinc/41/38/11/573413811.db2.gz DNGJYLGRFBKTQN-LURJTMIESA-N 0 1 154.213 1.565 10 0 ADAEMN CCC[C@@H](C)CNCc1ncn(C)n1 133534737 573414107 /nfs/dbraw/zinc/41/41/07/573414107.db2.gz GESNCUAIQPQFSA-SECBINFHSA-N 0 1 196.298 1.341 10 0 ADAEMN CO[C@@H](N)c1ccc2ncoc2c1 259443086 573414113 /nfs/dbraw/zinc/41/41/13/573414113.db2.gz NRUUGOXYINYZRQ-SECBINFHSA-N 0 1 178.191 1.432 10 0 ADAEMN COC[C@@H](N)c1nc(C)c(C)s1 238382284 573414141 /nfs/dbraw/zinc/41/41/41/573414141.db2.gz AUBMKFFYRHLGJC-SSDOTTSWSA-N 0 1 186.280 1.406 10 0 ADAEMN CC(C)(C)[N@H+]1C[C@H](C(=O)[O-])CC1(C)C 259442264 573414382 /nfs/dbraw/zinc/41/43/82/573414382.db2.gz OOLUYJBJWZHGKZ-MRVPVSSYSA-N 0 1 199.294 1.970 10 0 ADAEMN Cc1cnc(SCCCO)cc1N 133567804 573415069 /nfs/dbraw/zinc/41/50/69/573415069.db2.gz FJFUPEXFZDWKLL-UHFFFAOYSA-N 0 1 198.291 1.447 10 0 ADAEMN CC(C)c1cc([C@@H](C)N)on1 107219737 573415179 /nfs/dbraw/zinc/41/51/79/573415179.db2.gz CLAVEWBFZKFTRD-ZCFIWIBFSA-N 0 1 154.213 1.818 10 0 ADAEMN COc1cc(C)[nH+]cc1C(=O)[O-] 83119850 573415436 /nfs/dbraw/zinc/41/54/36/573415436.db2.gz HQBBBNNELUBOLD-UHFFFAOYSA-N 0 1 167.164 1.097 10 0 ADAEMN CC(C)c1n[nH]c2c1CNC2 107218724 573415574 /nfs/dbraw/zinc/41/55/74/573415574.db2.gz DNRVZPWRDDOUJP-UHFFFAOYSA-N 0 1 151.213 1.136 10 0 ADAEMN C[C@H](N)c1ncc2ccc(F)cc2n1 257811221 573415651 /nfs/dbraw/zinc/41/56/51/573415651.db2.gz AZQPNCPNGOHCLW-LURJTMIESA-N 0 1 191.209 1.789 10 0 ADAEMN C[C@H]1OCC[C@H]1CN1CCC(=O)CC1 235593247 573415662 /nfs/dbraw/zinc/41/56/62/573415662.db2.gz PIWRMPGQCMXZDN-ZJUUUORDSA-N 0 1 197.278 1.076 10 0 ADAEMN CC(C)[C@H](C(=O)[O-])[N@@H+](C)CCCF 714934107 573415698 /nfs/dbraw/zinc/41/56/98/573415698.db2.gz ZLFVAULGLQXVDU-MRVPVSSYSA-N 0 1 191.246 1.387 10 0 ADAEMN CCN[C@H](COC)c1ccncc1F 133577798 573415730 /nfs/dbraw/zinc/41/57/30/573415730.db2.gz ADQWAMNQHPYJTN-SNVBAGLBSA-N 0 1 198.241 1.518 10 0 ADAEMN CN[C@@H](COC)c1ccncc1F 133568149 573416143 /nfs/dbraw/zinc/41/61/43/573416143.db2.gz VLZCMONKWCBUHT-VIFPVBQESA-N 0 1 184.214 1.128 10 0 ADAEMN C[C@@H](N)c1onc2c1CCC2 107218819 573415860 /nfs/dbraw/zinc/41/58/60/573415860.db2.gz RRUMSBDLSYRULQ-RXMQYKEDSA-N 0 1 152.197 1.183 10 0 ADAEMN COc1ccc2ncn(C)c2c1N 238384067 573416149 /nfs/dbraw/zinc/41/61/49/573416149.db2.gz ZXGPWYZNCLSUSK-UHFFFAOYSA-N 0 1 177.207 1.164 10 0 ADAEMN CC(C)c1cc([C@H](C)N)on1 107219740 573417276 /nfs/dbraw/zinc/41/72/76/573417276.db2.gz CLAVEWBFZKFTRD-LURJTMIESA-N 0 1 154.213 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170.237 1.394 10 0 ADAEMN C[N@H+]1CCC(C2CC2)=C(C(=O)[O-])C1 257811209 573418467 /nfs/dbraw/zinc/41/84/67/573418467.db2.gz AZVLZYJMZWGAKA-UHFFFAOYSA-N 0 1 181.235 1.113 10 0 ADAEMN OC[C@@H]1CNCc2c(F)cccc21 257811203 573418479 /nfs/dbraw/zinc/41/84/79/573418479.db2.gz AZILEZQXXHXMAM-ZETCQYMHSA-N 0 1 181.210 1.005 10 0 ADAEMN CC[C@@H]1CC[N@@H+](CCC(=O)[O-])[C@H]1C 308381238 573420212 /nfs/dbraw/zinc/42/02/12/573420212.db2.gz UUQCKCWVWYYNKB-DTWKUNHWSA-N 0 1 185.267 1.582 10 0 ADAEMN CSC[C@@H](N)c1ccc(C)o1 258334422 573420225 /nfs/dbraw/zinc/42/02/25/573420225.db2.gz YUBZUHZGIJSYBF-SSDOTTSWSA-N 0 1 171.265 1.951 10 0 ADAEMN CC(C)(C)Cn1cc(O)cn1 258019251 573420055 /nfs/dbraw/zinc/42/00/55/573420055.db2.gz RJORJCXUWUVYAW-UHFFFAOYSA-N 0 1 154.213 1.635 10 0 ADAEMN CC[N@H+]1CCC[C@H](C(=O)[O-])[C@@H]1C 118712207 573421348 /nfs/dbraw/zinc/42/13/48/573421348.db2.gz MRIXDWVBFYAATA-YUMQZZPRSA-N 0 1 171.240 1.191 10 0 ADAEMN CC[C@@H]1CC[N@@H+](CCC(=O)[O-])[C@@H]1C 308381240 573421246 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QXJAODXMOIMDCQ-UHFFFAOYSA-N 0 1 191.190 1.053 10 0 ADAEMN Cc1ccc(OCC(=O)CN)cc1C 74248188 573502169 /nfs/dbraw/zinc/50/21/69/573502169.db2.gz ILFVYVNUFQSZGA-UHFFFAOYSA-N 0 1 193.246 1.210 10 0 ADAEMN C[C@@H]1CC(=O)c2ncc(O)cc21 238417628 573502206 /nfs/dbraw/zinc/50/22/06/573502206.db2.gz IOIFPUKKVXKRJV-RXMQYKEDSA-N 0 1 163.176 1.477 10 0 ADAEMN C=C=CSC(=O)[N-]C(=O)OC 238418499 573502219 /nfs/dbraw/zinc/50/22/19/573502219.db2.gz PLQXAYLNTDEJEU-UHFFFAOYSA-N 0 1 173.193 1.494 10 0 ADAEMN NCc1ncc2cc(Cl)ccn12 107318457 573502237 /nfs/dbraw/zinc/50/22/37/573502237.db2.gz AMXDMLAUNSNWSD-UHFFFAOYSA-N 0 1 181.626 1.446 10 0 ADAEMN COC(=O)[C@@]1(N)CCC[C@H](C)CC1 83434204 573502246 /nfs/dbraw/zinc/50/22/46/573502246.db2.gz CFRKSXAMHPDQTG-WCBMZHEXSA-N 0 1 185.267 1.457 10 0 ADAEMN CCOC(=O)[C@@]1(N)CCC[C@@H](C)CC1 83434210 573502351 /nfs/dbraw/zinc/50/23/51/573502351.db2.gz NSVSPZKTJXLRAW-MWLCHTKSSA-N 0 1 199.294 1.847 10 0 ADAEMN C[C@@H]1CCC[C@]2(CC1)NCCNC2=O 83434691 573502363 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1 196.250 1.332 10 0 ADAEMN c1nocc1O[C@H]1CCCCN1 258727122 573510132 /nfs/dbraw/zinc/51/01/32/573510132.db2.gz VQZCYRIUUWLWPQ-QMMMGPOBSA-N 0 1 168.196 1.153 10 0 ADAEMN C[C@@H]1CC[N@H+]1[C@@H](CC(=O)[O-])C1CC1 130189135 573510147 /nfs/dbraw/zinc/51/01/47/573510147.db2.gz JKDVJOKWOKHBAU-APPZFPTMSA-N 0 1 183.251 1.334 10 0 ADAEMN C[C@H]1CN[C@@](C)(c2ccc(O)cc2)O1 258725849 573510355 /nfs/dbraw/zinc/51/03/55/573510355.db2.gz VMVBPMHFPCEXFX-GZMMTYOYSA-N 0 1 193.246 1.573 10 0 ADAEMN O=C([O-])C[C@H]1CCCC[N@H+]2CCC[C@H]12 257823772 573510406 /nfs/dbraw/zinc/51/04/06/573510406.db2.gz GRJSXAHHGKQCHQ-NXEZZACHSA-N 0 1 197.278 1.726 10 0 ADAEMN C[C@H]1CC[N@H+]1[C@@H](CC(=O)[O-])C1CC1 130189354 573510438 /nfs/dbraw/zinc/51/04/38/573510438.db2.gz JKDVJOKWOKHBAU-CBAPKCEASA-N 0 1 183.251 1.334 10 0 ADAEMN N[C@H]1CCCc2ncoc21 107324014 573510686 /nfs/dbraw/zinc/51/06/86/573510686.db2.gz ZGWUQRFVOXEOGM-YFKPBYRVSA-N 0 1 138.170 1.011 10 0 ADAEMN CC(C)/C=C/C[N@H+]1CC[C@H](C(=O)[O-])C1 308397042 573510717 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258729555 573511634 /nfs/dbraw/zinc/51/16/34/573511634.db2.gz PIYQAWATQYOUGE-UHFFFAOYSA-N 0 1 188.234 1.822 10 0 ADAEMN CN[C@H]1CCc2oc(C)nc21 107325563 573511837 /nfs/dbraw/zinc/51/18/37/573511837.db2.gz OYYICMXTFCWSHL-LURJTMIESA-N 0 1 152.197 1.190 10 0 ADAEMN CN[C@H]1CCCc2conc21 107325588 573512717 /nfs/dbraw/zinc/51/27/17/573512717.db2.gz QJDYILWGXNBARX-ZETCQYMHSA-N 0 1 152.197 1.271 10 0 ADAEMN C[C@H]1CCc2sc(CN)nc2C1 107229636 573513166 /nfs/dbraw/zinc/51/31/66/573513166.db2.gz BAJKKBXNLLTCLN-LURJTMIESA-N 0 1 182.292 1.727 10 0 ADAEMN CC(C)/C=C/C[N@H+]1CCC[C@H]1C(=O)[O-] 308396321 573512691 /nfs/dbraw/zinc/51/26/91/573512691.db2.gz PVIXOXSDCBSMJE-GFAPAMAISA-N 0 1 197.278 1.748 10 0 ADAEMN Cc1[nH]c(NN)nc1C(C)C 258720083 573512754 /nfs/dbraw/zinc/51/27/54/573512754.db2.gz ONEAGYCTRBIRAD-UHFFFAOYSA-N 0 1 154.217 1.127 10 0 ADAEMN Cc1nc(NN)[nH]c1C(C)C 258720083 573512760 /nfs/dbraw/zinc/51/27/60/573512760.db2.gz ONEAGYCTRBIRAD-UHFFFAOYSA-N 0 1 154.217 1.127 10 0 ADAEMN 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/nfs/dbraw/zinc/53/04/10/573530410.db2.gz KNPAHWMWJCVDIX-IONNQARKSA-N 0 1 194.282 1.196 10 0 ADAEMN NCc1ncc2cccc(F)c2n1 257827975 573528475 /nfs/dbraw/zinc/52/84/75/573528475.db2.gz IBKBKWWOEDXZMB-UHFFFAOYSA-N 0 1 177.182 1.228 10 0 ADAEMN C[C@]1(C(=O)[O-])CCC[C@@H]2CCCC[N@H+]21 257827216 573528503 /nfs/dbraw/zinc/52/85/03/573528503.db2.gz HXBDAJGIRJFLOW-GXSJLCMTSA-N 0 1 197.278 1.868 10 0 ADAEMN NCc1oncc1C1CCCC1 257827251 573528558 /nfs/dbraw/zinc/52/85/58/573528558.db2.gz HTFSEIOVMHYFFG-UHFFFAOYSA-N 0 1 166.224 1.791 10 0 ADAEMN COc1cccc2c[nH+]c(C(=O)[O-])n12 257827615 573528735 /nfs/dbraw/zinc/52/87/35/573528735.db2.gz HZQGRDNTVHVANH-UHFFFAOYSA-N 0 1 192.174 1.041 10 0 ADAEMN CC[N@@H+]1CC=C(CC(C)=O)CC1 258059510 573529009 /nfs/dbraw/zinc/52/90/09/573529009.db2.gz LQUFATVBYLDXQP-UHFFFAOYSA-N 0 1 167.252 1.618 10 0 ADAEMN CN[C@@H](C(C)=O)c1ccc(F)cc1 259490890 573529034 /nfs/dbraw/zinc/52/90/34/573529034.db2.gz RIAXYZIXHJFARE-JTQLQIEISA-N 0 1 181.210 1.675 10 0 ADAEMN COC(=O)/C=C\[C@@H]1CCCC[N@H+]1C 258058935 573529361 /nfs/dbraw/zinc/52/93/61/573529361.db2.gz DPDOZIMYMZZILQ-NMTCXDENSA-N 0 1 183.251 1.200 10 0 ADAEMN COC(=O)/C=C\[C@@H]1CCCCN1C 258058935 573529366 /nfs/dbraw/zinc/52/93/66/573529366.db2.gz DPDOZIMYMZZILQ-NMTCXDENSA-N 0 1 183.251 1.200 10 0 ADAEMN CC[N@H+]1CCC[C@H]1c1cc(C[NH3+])n[nH]1 258406402 573530312 /nfs/dbraw/zinc/53/03/12/573530312.db2.gz CSPLCZRVXZCZDY-JTQLQIEISA-N 0 1 194.282 1.025 10 0 ADAEMN C[C@@]1(C(=O)[O-])CCC[C@@H]2CCCC[N@H+]21 257827222 573529516 /nfs/dbraw/zinc/52/95/16/573529516.db2.gz HXBDAJGIRJFLOW-ONGXEEELSA-N 0 1 197.278 1.868 10 0 ADAEMN C[C@@H](N)C(=O)c1cccc(Cl)c1N 257827696 573529608 /nfs/dbraw/zinc/52/96/08/573529608.db2.gz GDSCLAUCZGCSSA-RXMQYKEDSA-N 0 1 198.653 1.452 10 0 ADAEMN CCSCc1ncc(CO)[nH]1 83486234 573529609 /nfs/dbraw/zinc/52/96/09/573529609.db2.gz ZDQYXEMDGATOAQ-UHFFFAOYSA-N 0 1 172.253 1.155 10 0 ADAEMN C[C@]1(C(=O)[O-])CCC[C@H]2CCCC[N@H+]21 257827220 573529750 /nfs/dbraw/zinc/52/97/50/573529750.db2.gz HXBDAJGIRJFLOW-MWLCHTKSSA-N 0 1 197.278 1.868 10 0 ADAEMN CCCc1nc(C2(CO)CC2)[nH]c1C 258756057 573529778 /nfs/dbraw/zinc/52/97/78/573529778.db2.gz RTTFIQBGGNOWOV-UHFFFAOYSA-N 0 1 194.278 1.695 10 0 ADAEMN CC(C)c1ccc(C(N)N)cc1 259488583 573529936 /nfs/dbraw/zinc/52/99/36/573529936.db2.gz SUAIBPQCJROBSP-UHFFFAOYSA-N 0 1 164.252 1.726 10 0 ADAEMN CO[P@](N)(=O)[C@@H](N)CC(C)C 238430100 573530085 /nfs/dbraw/zinc/53/00/85/573530085.db2.gz YTGMTBNCJCHSPS-KSBSHMNSSA-N 0 1 180.188 1.116 10 0 ADAEMN CC[N@H+]1CCC[C@@H]1c1cc(C[NH3+])n[nH]1 258406403 573530128 /nfs/dbraw/zinc/53/01/28/573530128.db2.gz CSPLCZRVXZCZDY-SNVBAGLBSA-N 0 1 194.282 1.025 10 0 ADAEMN Cc1cc([O-])c(Cl)c(C[NH3+])c1 258058161 573530291 /nfs/dbraw/zinc/53/02/91/573530291.db2.gz SFDJBEFSQJIKAR-UHFFFAOYSA-N 0 1 171.627 1.813 10 0 ADAEMN C[C@@H](N)c1oncc1C1CCC1 257827267 573530838 /nfs/dbraw/zinc/53/08/38/573530838.db2.gz HTQRJZXCSICCND-ZCFIWIBFSA-N 0 1 166.224 1.962 10 0 ADAEMN CNCNc1ccccc1OC 258755691 573530929 /nfs/dbraw/zinc/53/09/29/573530929.db2.gz XKRWMORONBFLRZ-UHFFFAOYSA-N 0 1 166.224 1.284 10 0 ADAEMN COC(=O)/C=C\[C@H]1CCCC[N@H+]1C 258058932 573530955 /nfs/dbraw/zinc/53/09/55/573530955.db2.gz DPDOZIMYMZZILQ-ATJFRQLMSA-N 0 1 183.251 1.200 10 0 ADAEMN COC(=O)/C=C\[C@H]1CCCCN1C 258058932 573530959 /nfs/dbraw/zinc/53/09/59/573530959.db2.gz DPDOZIMYMZZILQ-ATJFRQLMSA-N 0 1 183.251 1.200 10 0 ADAEMN CN[C@H]1CCCc2snnc21 107332081 573530974 /nfs/dbraw/zinc/53/09/74/573530974.db2.gz NIIGOFLATHXEOB-YFKPBYRVSA-N 0 1 169.253 1.135 10 0 ADAEMN NCc1nocc1C1CCCC1 257827793 573531007 /nfs/dbraw/zinc/53/10/07/573531007.db2.gz HYSUJEPIFQKDOV-UHFFFAOYSA-N 0 1 166.224 1.791 10 0 ADAEMN COC(=O)[C@H]1NCC[C@@H]1C1CCCC1 257828440 573531922 /nfs/dbraw/zinc/53/19/22/573531922.db2.gz IHOFKRHOGLBRJM-ZJUUUORDSA-N 0 1 197.278 1.328 10 0 ADAEMN COc1ccc(NCN)cc1OC 258753471 573531731 /nfs/dbraw/zinc/53/17/31/573531731.db2.gz XEVDSKGOQLAPOS-UHFFFAOYSA-N 0 1 182.223 1.032 10 0 ADAEMN CC(C)[C@H]1C=C(C(=O)[O-])CC[N@H+]1C 257828627 573532909 /nfs/dbraw/zinc/53/29/09/573532909.db2.gz IMTOLMOLJATWEF-SECBINFHSA-N 0 1 183.251 1.358 10 0 ADAEMN NCc1ncccc1OCC(F)F 130416487 573533020 /nfs/dbraw/zinc/53/30/20/573533020.db2.gz NHEXLYNQNSZLPA-UHFFFAOYSA-N 0 1 188.177 1.184 10 0 ADAEMN Cc1nc(CN)n2cc(F)ccc12 107338357 573533052 /nfs/dbraw/zinc/53/30/52/573533052.db2.gz UCCGPQNHZCEQSB-UHFFFAOYSA-N 0 1 179.198 1.241 10 0 ADAEMN C[C@@]1(C(=O)[O-])CC[C@@H]2CCCC[N@H+]21 257828192 573533074 /nfs/dbraw/zinc/53/30/74/573533074.db2.gz IHPWKFXTLGHGCB-WPRPVWTQSA-N 0 1 183.251 1.478 10 0 ADAEMN CC(C)[C@@H]1C=C(C(=O)[O-])CC[N@H+]1C 257828628 573533136 /nfs/dbraw/zinc/53/31/36/573533136.db2.gz IMTOLMOLJATWEF-VIFPVBQESA-N 0 1 183.251 1.358 10 0 ADAEMN CN[C@H](C(C)=O)c1ccc(F)cc1 259490893 573533157 /nfs/dbraw/zinc/53/31/57/573533157.db2.gz RIAXYZIXHJFARE-SNVBAGLBSA-N 0 1 181.210 1.675 10 0 ADAEMN CNCC(=O)c1oc(C2CC2)nc1C 257828502 573533211 /nfs/dbraw/zinc/53/32/11/573533211.db2.gz IJTICRNBADBUDJ-UHFFFAOYSA-N 0 1 194.234 1.263 10 0 ADAEMN COC(=O)[C@@H]1NCC[C@H]1C1CCCC1 257828439 573533486 /nfs/dbraw/zinc/53/34/86/573533486.db2.gz IHOFKRHOGLBRJM-VHSXEESVSA-N 0 1 197.278 1.328 10 0 ADAEMN CC(C)[N@H+]1CCC[C@@H]1/C=C\C(=O)[O-] 258054015 573533567 /nfs/dbraw/zinc/53/35/67/573533567.db2.gz DHMWDVWOQHSYOH-SSJHQANKSA-N 0 1 183.251 1.500 10 0 ADAEMN CCc1ncc2n1C[C@@H](CO)CC2 258053306 573533696 /nfs/dbraw/zinc/53/36/96/573533696.db2.gz CZHXKDBZUXUWMA-QMMMGPOBSA-N 0 1 180.251 1.000 10 0 ADAEMN CO[P@](N)(=O)[C@H](N)CC(C)C 238430118 573533707 /nfs/dbraw/zinc/53/37/07/573533707.db2.gz YTGMTBNCJCHSPS-UPONEAKYSA-N 0 1 180.188 1.116 10 0 ADAEMN O=C([O-])c1[nH+]cc2ccc(F)cn12 107339855 573533831 /nfs/dbraw/zinc/53/38/31/573533831.db2.gz JVSBIIKPOXMGQU-UHFFFAOYSA-N 0 1 180.138 1.172 10 0 ADAEMN CCc1ncc2n1C[C@H](CO)CC2 258053304 573533855 /nfs/dbraw/zinc/53/38/55/573533855.db2.gz CZHXKDBZUXUWMA-MRVPVSSYSA-N 0 1 180.251 1.000 10 0 ADAEMN C[C@]1(C(=O)[O-])CC[C@@H]2CCCC[N@H+]21 257828191 573533873 /nfs/dbraw/zinc/53/38/73/573533873.db2.gz IHPWKFXTLGHGCB-WCBMZHEXSA-N 0 1 183.251 1.478 10 0 ADAEMN CC(C)[N@H+]1CCC[C@H]1/C=C\C(=O)[O-] 258054017 573534048 /nfs/dbraw/zinc/53/40/48/573534048.db2.gz DHMWDVWOQHSYOH-UDIARPCQSA-N 0 1 183.251 1.500 10 0 ADAEMN CNCN[C@@H](C)c1ccccc1 258753536 573534160 /nfs/dbraw/zinc/53/41/60/573534160.db2.gz XGILNVOWLLYVNU-VIFPVBQESA-N 0 1 164.252 1.514 10 0 ADAEMN C[C@@H](CC1=CCC[N@@H+](C)C1)C(=O)[O-] 258054808 573534266 /nfs/dbraw/zinc/53/42/66/573534266.db2.gz LKXPRSFMGILCLZ-QMMMGPOBSA-N 0 1 183.251 1.359 10 0 ADAEMN C[C@]1(C(=O)[O-])CC[C@H]2CCCC[N@H+]21 257828189 573534317 /nfs/dbraw/zinc/53/43/17/573534317.db2.gz IHPWKFXTLGHGCB-PSASIEDQSA-N 0 1 183.251 1.478 10 0 ADAEMN COc1ccc(C=O)c2[nH]ncc12 257828103 573535302 /nfs/dbraw/zinc/53/53/02/573535302.db2.gz ICHRRIFGIUDLDI-UHFFFAOYSA-N 0 1 176.175 1.384 10 0 ADAEMN COC(=O)[C@H]1NCC[C@H]1C1CCCC1 257828437 573534492 /nfs/dbraw/zinc/53/44/92/573534492.db2.gz IHOFKRHOGLBRJM-UWVGGRQHSA-N 0 1 197.278 1.328 10 0 ADAEMN CN1CC(c2ccccc2CNO)C1 258053666 573534526 /nfs/dbraw/zinc/53/45/26/573534526.db2.gz KUGQYIBGUOLVOU-UHFFFAOYSA-N 0 1 192.262 1.194 10 0 ADAEMN Cc1ncc(CN(C)C)n1C(C)C 258054991 573534589 /nfs/dbraw/zinc/53/45/89/573534589.db2.gz FYWDVHQHZSLTNN-UHFFFAOYSA-N 0 1 181.283 1.834 10 0 ADAEMN Cc1nc(CN)n2c(F)cccc12 107338346 573534878 /nfs/dbraw/zinc/53/48/78/573534878.db2.gz CEOYJFPWSBFQAP-UHFFFAOYSA-N 0 1 179.198 1.241 10 0 ADAEMN CN1Cc2cccc(CCO)c2C1 257828647 573534965 /nfs/dbraw/zinc/53/49/65/573534965.db2.gz INNUCRFBODEDDX-UHFFFAOYSA-N 0 1 177.247 1.167 10 0 ADAEMN CNCc1csc(NC(C)C)n1 107347547 573535128 /nfs/dbraw/zinc/53/51/28/573535128.db2.gz PJTKJORKVBVXHV-UHFFFAOYSA-N 0 1 185.296 1.683 10 0 ADAEMN NCc1ncc([C@@H]2CCCCO2)cn1 258054387 573536073 /nfs/dbraw/zinc/53/60/73/573536073.db2.gz PIOQIDITTADIFR-VIFPVBQESA-N 0 1 193.250 1.177 10 0 ADAEMN CC(O)=C1CC[C@H](C)C1=O 238434140 573536092 /nfs/dbraw/zinc/53/60/92/573536092.db2.gz RLSQJVRISZLEMR-CAHLUQPWSA-N 0 1 140.182 1.191 10 0 ADAEMN COCCN[C@H](C)c1ccncc1F 308618359 573538360 /nfs/dbraw/zinc/53/83/60/573538360.db2.gz SGZZPRIYDDOACH-MRVPVSSYSA-N 0 1 198.241 1.518 10 0 ADAEMN Cc1cnc(CN)n1-c1ccccc1 107348483 573539319 /nfs/dbraw/zinc/53/93/19/573539319.db2.gz QWDGXZDKAINZGX-UHFFFAOYSA-N 0 1 187.246 1.639 10 0 ADAEMN CC(=O)Cc1ccc(F)c(F)c1O 107347723 573539372 /nfs/dbraw/zinc/53/93/72/573539372.db2.gz OJOHHTVDVCIYLF-UHFFFAOYSA-N 0 1 186.157 1.802 10 0 ADAEMN C[C@@H](C[NH3+])c1ccc(F)c(F)c1[O-] 107348239 573539388 /nfs/dbraw/zinc/53/93/88/573539388.db2.gz ZXGXNUWRFZVHDH-YFKPBYRVSA-N 0 1 187.189 1.733 10 0 ADAEMN Cc1nc2cccc(CON)c2[nH]1 258056712 573539518 /nfs/dbraw/zinc/53/95/18/573539518.db2.gz SDIBMSBCNPVNLM-UHFFFAOYSA-N 0 1 177.207 1.262 10 0 ADAEMN COc1c(O)ccc(C=N)c1O 238435107 573539847 /nfs/dbraw/zinc/53/98/47/573539847.db2.gz SXVIRAVILCNKKQ-UHFFFAOYSA-N 0 1 167.164 1.104 10 0 ADAEMN C/C=C\C[N@@H+](CC(=O)[O-])C1CC1 215337689 573540785 /nfs/dbraw/zinc/54/07/85/573540785.db2.gz YJSFIMXCXRPHKB-IHWYPQMZSA-N 0 1 169.224 1.112 10 0 ADAEMN N[C@@H]1CN(CCC2=CCCCC2)C1=O 236298207 573540278 /nfs/dbraw/zinc/54/02/78/573540278.db2.gz IFGSMTAPXKMEDY-SNVBAGLBSA-N 0 1 194.278 1.046 10 0 ADAEMN O=Cc1ccc(O)c(-n2cccn2)c1 257824335 573540344 /nfs/dbraw/zinc/54/03/44/573540344.db2.gz GTPNPLSTYKZTLA-UHFFFAOYSA-N 0 1 188.186 1.390 10 0 ADAEMN COc1c(O)cc(=O)[nH]c1C(F)F 238434913 573540633 /nfs/dbraw/zinc/54/06/33/573540633.db2.gz FBRBGIRCFSHLRS-UHFFFAOYSA-N 0 1 191.133 1.439 10 0 ADAEMN C[NH2+]CCc1ccc(F)c(F)c1[O-] 107348233 573540637 /nfs/dbraw/zinc/54/06/37/573540637.db2.gz YEXGNZQXESGVCW-UHFFFAOYSA-N 0 1 187.189 1.432 10 0 ADAEMN OCC1(c2ncc3ccccn23)CC1 259500308 573540854 /nfs/dbraw/zinc/54/08/54/573540854.db2.gz NZFNSOLVJRXSLR-UHFFFAOYSA-N 0 1 188.230 1.358 10 0 ADAEMN N[C@@H](CCC1CC1)C(F)F 236294435 573540858 /nfs/dbraw/zinc/54/08/58/573540858.db2.gz WUJXITTVAYZWOG-LURJTMIESA-N 0 1 149.184 1.769 10 0 ADAEMN CCc1oc([C@H]2CNCCO2)nc1C 257824308 573541021 /nfs/dbraw/zinc/54/10/21/573541021.db2.gz GSAZSQHDNIREGK-SECBINFHSA-N 0 1 196.250 1.206 10 0 ADAEMN CC(C)Cc1ccc(C(N)N)cc1 259497513 573541184 /nfs/dbraw/zinc/54/11/84/573541184.db2.gz UFEYFCFXZBOWOR-UHFFFAOYSA-N 0 1 178.279 1.801 10 0 ADAEMN NC(=[NH2+])Cc1cc(F)c(F)cc1[O-] 107347739 573543255 /nfs/dbraw/zinc/54/32/55/573543255.db2.gz OGXBZJNIIUCPES-UHFFFAOYSA-N 0 1 186.161 1.149 10 0 ADAEMN C[C@H]([NH3+])Cc1ccc(F)c(F)c1[O-] 107348235 573543266 /nfs/dbraw/zinc/54/32/66/573543266.db2.gz MWLLKLOWBZTQOM-YFKPBYRVSA-N 0 1 187.189 1.560 10 0 ADAEMN NC(=[NH2+])Cc1c([O-])ccc(F)c1F 107347736 573542868 /nfs/dbraw/zinc/54/28/68/573542868.db2.gz NDRKNTLCRXJBEQ-UHFFFAOYSA-N 0 1 186.161 1.149 10 0 ADAEMN NC(=[NH2+])Cc1cc(F)cc(F)c1[O-] 107347747 573542897 /nfs/dbraw/zinc/54/28/97/573542897.db2.gz AZCPLLALBIQUIW-UHFFFAOYSA-N 0 1 186.161 1.149 10 0 ADAEMN N[C@@H](CC1CCOCC1)C(F)F 236300856 573542984 /nfs/dbraw/zinc/54/29/84/573542984.db2.gz DJMZJSJSGACEQJ-ZETCQYMHSA-N 0 1 179.210 1.396 10 0 ADAEMN 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GUCMDFXOKSXRBJ-VIFPVBQESA-N 0 1 182.198 1.743 10 0 ADAEMN CC[C@]1(C)NCCCC1=O 259500953 573544131 /nfs/dbraw/zinc/54/41/31/573544131.db2.gz YSJFVCTZFWGJMU-QMMMGPOBSA-N 0 1 141.214 1.108 10 0 ADAEMN O=C([O-])CC[N@H+]1CC[C@@H](CC2CC2)C1 393533418 573544151 /nfs/dbraw/zinc/54/41/51/573544151.db2.gz XUKCJOHSJKQQCL-JTQLQIEISA-N 0 1 197.278 1.583 10 0 ADAEMN C[C@@H]1CCC[N@H+]1[C@H]1C=C[C@@H](C(=O)[O-])C1 86658216 573545518 /nfs/dbraw/zinc/54/55/18/573545518.db2.gz MDWWDQASAUELSL-BBBLOLIVSA-N 0 1 195.262 1.500 10 0 ADAEMN CCn1cc([C@H](C)N[C@@H]2C[C@H]2C)nn1 715887045 573545091 /nfs/dbraw/zinc/54/50/91/573545091.db2.gz XPUIZTZZZHWQJQ-HRDYMLBCSA-N 0 1 194.282 1.357 10 0 ADAEMN C[C@@H]1CCC[N@H+]1C1(C(=O)[O-])CC1 86658192 573545535 /nfs/dbraw/zinc/54/55/35/573545535.db2.gz KISFMRMXGNXDDQ-SSDOTTSWSA-N 0 1 169.224 1.088 10 0 ADAEMN CSc1nc(C)c(CN(C)C)[nH]1 238436762 573545428 /nfs/dbraw/zinc/54/54/28/573545428.db2.gz CNYLNBPGNRTIRR-UHFFFAOYSA-N 0 1 185.296 1.502 10 0 ADAEMN CC[C@H](C)[N@@H+](CC(=O)[O-])[C@H]1CC[C@H]1C 308626259 573545469 /nfs/dbraw/zinc/54/54/69/573545469.db2.gz WNAWLQSQRCLDKQ-UTLUCORTSA-N 0 1 199.294 1.970 10 0 ADAEMN CC[C@H](C)[N@@H+](CC(=O)[O-])[C@@H]1CC[C@H]1C 308626257 573545794 /nfs/dbraw/zinc/54/57/94/573545794.db2.gz WNAWLQSQRCLDKQ-KXUCPTDWSA-N 0 1 199.294 1.970 10 0 ADAEMN CO[C@H](N)c1ccc2c(c1)CCO2 259119278 573546905 /nfs/dbraw/zinc/54/69/05/573546905.db2.gz AILYCDSJGUGGJO-JTQLQIEISA-N 0 1 179.219 1.225 10 0 ADAEMN NCc1nc(Cl)c2cc(F)ccn12 107368003 573547036 /nfs/dbraw/zinc/54/70/36/573547036.db2.gz QGVNFIIJZJNSHP-UHFFFAOYSA-N 0 1 199.616 1.586 10 0 ADAEMN C[C@@H]1CCC[N@H+]1[C@@H]1CC[C@H](C(=O)[O-])C1 86658200 573547079 /nfs/dbraw/zinc/54/70/79/573547079.db2.gz IEGGOBAYJZGCKC-KXUCPTDWSA-N 0 1 197.278 1.724 10 0 ADAEMN CO[C@@H](N)c1ccc(C)cc1 259504168 573547177 /nfs/dbraw/zinc/54/71/77/573547177.db2.gz RCNRWVIXFMQIPA-SECBINFHSA-N 0 1 151.209 1.599 10 0 ADAEMN CNCc1nccc(-c2cc[nH]c2)n1 259118325 573547202 /nfs/dbraw/zinc/54/72/02/573547202.db2.gz PGHPQYLDIQBJHW-UHFFFAOYSA-N 0 1 188.234 1.191 10 0 ADAEMN NCC(=O)C1CCCCCCC1 83553810 573547415 /nfs/dbraw/zinc/54/74/15/573547415.db2.gz CUEVYWNWKBNZQJ-UHFFFAOYSA-N 0 1 169.268 1.875 10 0 ADAEMN N[C@H](CCC1CC1)C(F)F 236310219 573547482 /nfs/dbraw/zinc/54/74/82/573547482.db2.gz WUJXITTVAYZWOG-ZCFIWIBFSA-N 0 1 149.184 1.769 10 0 ADAEMN C[C@H]1CCC[N@H+]1[C@@H](C(=O)[O-])C(C)(C)C 86658157 573547490 /nfs/dbraw/zinc/54/74/90/573547490.db2.gz JHKMKDBVJVTDSK-IUCAKERBSA-N 0 1 199.294 1.970 10 0 ADAEMN CNCc1coc(N2CCCCC2)n1 107362112 573547601 /nfs/dbraw/zinc/54/76/01/573547601.db2.gz CTRHDZGHBJWWOC-UHFFFAOYSA-N 0 1 195.266 1.384 10 0 ADAEMN CNCNc1ccc2c(c1)OCCO2 258768443 573547714 /nfs/dbraw/zinc/54/77/14/573547714.db2.gz YMRUNZLVLOOXEL-UHFFFAOYSA-N 0 1 194.234 1.047 10 0 ADAEMN CO[C@@H](N)c1ccc2c(c1)CCO2 259119281 573547735 /nfs/dbraw/zinc/54/77/35/573547735.db2.gz AILYCDSJGUGGJO-SNVBAGLBSA-N 0 1 179.219 1.225 10 0 ADAEMN C[C@H](N)c1ncc2c(n1)CSC2 257825999 573547831 /nfs/dbraw/zinc/54/78/31/573547831.db2.gz HIFZHLDIIPCQAQ-YFKPBYRVSA-N 0 1 181.264 1.243 10 0 ADAEMN NCc1nc(Cl)c2ccc(F)cn12 107368000 573547902 /nfs/dbraw/zinc/54/79/02/573547902.db2.gz WAJGGBBVMGSWPY-UHFFFAOYSA-N 0 1 199.616 1.586 10 0 ADAEMN CCOc1ccc([C@@H](N)N(C)C)cc1 259504110 573548090 /nfs/dbraw/zinc/54/80/90/573548090.db2.gz LWKFPLXQOZJFNH-NSHDSACASA-N 0 1 194.278 1.604 10 0 ADAEMN C[C@@H](N)c1ncc2c(n1)CCCCC2 257825719 573548149 /nfs/dbraw/zinc/54/81/49/573548149.db2.gz HFZOSBGYKFNATQ-MRVPVSSYSA-N 0 1 191.278 1.765 10 0 ADAEMN CN1CCC[C@H](N(C)C(=O)S)C1 258770776 573549143 /nfs/dbraw/zinc/54/91/43/573549143.db2.gz XAZHXDLMTJLZEU-ZETCQYMHSA-N 0 1 188.296 1.062 10 0 ADAEMN Cc1[nH+]c(C(=O)[O-])n2cc(F)ccc12 107358358 573548190 /nfs/dbraw/zinc/54/81/90/573548190.db2.gz GUWKZESXUZZBJA-UHFFFAOYSA-N 0 1 194.165 1.480 10 0 ADAEMN NCc1nc(Cl)c2c(F)cccn12 107367992 573548210 /nfs/dbraw/zinc/54/82/10/573548210.db2.gz VJROHJHLIHYONM-UHFFFAOYSA-N 0 1 199.616 1.586 10 0 ADAEMN 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/nfs/dbraw/zinc/55/03/15/573550315.db2.gz GSXOKOWKELXNNA-UHFFFAOYSA-N 0 1 140.186 1.257 10 0 ADAEMN C[N@H+]1CCC[C@@H](CC(=O)[O-])C1(C)C 259503256 573550482 /nfs/dbraw/zinc/55/04/82/573550482.db2.gz TXMKLMBSHZTVOO-QMMMGPOBSA-N 0 1 185.267 1.582 10 0 ADAEMN CC(C)[C@@]1(C)NCCCC1=O 259505580 573550604 /nfs/dbraw/zinc/55/06/04/573550604.db2.gz ZBTXBVLBMDNHEI-SECBINFHSA-N 0 1 155.241 1.354 10 0 ADAEMN COc1c(C)cc(C(N)N)c(C)c1C 259122368 573554613 /nfs/dbraw/zinc/55/46/13/573554613.db2.gz CBPMCZSGRDXPLF-UHFFFAOYSA-N 0 1 194.278 1.536 10 0 ADAEMN COC(=O)[C@@H](C(C)C)N(C)C1CC1 259121686 573550765 /nfs/dbraw/zinc/55/07/65/573550765.db2.gz RTXJTLPBJIKGRI-SECBINFHSA-N 0 1 185.267 1.278 10 0 ADAEMN C[C@@H](N)c1ncc2c(n1)CSC2 257825998 573550826 /nfs/dbraw/zinc/55/08/26/573550826.db2.gz HIFZHLDIIPCQAQ-RXMQYKEDSA-N 0 1 181.264 1.243 10 0 ADAEMN NCC(F)(F)Cc1cccc(O)c1 257825652 573550890 /nfs/dbraw/zinc/55/08/90/573550890.db2.gz HGCJFTDCOYMKAY-UHFFFAOYSA-N 0 1 187.189 1.529 10 0 ADAEMN 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189.230 1.141 10 0 ADAEMN CCOC(=O)[C@@]1(N)CCCCC1(C)C 86847557 573645007 /nfs/dbraw/zinc/64/50/07/573645007.db2.gz OKGVTXDMMHQLBH-NSHDSACASA-N 0 1 199.294 1.847 10 0 ADAEMN Cc1cc(C=O)cc2[nH]cnc12 238463417 573645091 /nfs/dbraw/zinc/64/50/91/573645091.db2.gz QZRVUYQRZXILOV-UHFFFAOYSA-N 0 1 160.176 1.684 10 0 ADAEMN C[C@H]1C[C@@H]1C(=O)c1cnccc1N 83806727 573645174 /nfs/dbraw/zinc/64/51/74/573645174.db2.gz YZOQYBXVGMFCEU-BQBZGAKWSA-N 0 1 176.219 1.503 10 0 ADAEMN Cc1ccc(C)c([C@H](N)N(C)C)c1 259539809 573645376 /nfs/dbraw/zinc/64/53/76/573645376.db2.gz NRTLYHLVBDCMEV-LLVKDONJSA-N 0 1 178.279 1.822 10 0 ADAEMN C[C@@H]1NCCO[C@H]1c1cncs1 96864654 573645428 /nfs/dbraw/zinc/64/54/28/573645428.db2.gz MGIJFYVIDVQBRE-POYBYMJQSA-N 0 1 184.264 1.193 10 0 ADAEMN O=C([O-])[C@@H]1[C@@H]2CCC[C@@H]2C[N@H+]1C1CC1 236438461 573645462 /nfs/dbraw/zinc/64/54/62/573645462.db2.gz OBEVDGVUWJATDS-QNSHHTMESA-N 0 1 195.262 1.334 10 0 ADAEMN COC(=O)[C@]1(N)CCCCC1(C)C 86847552 573645542 /nfs/dbraw/zinc/64/55/42/573645542.db2.gz PEGNAGLIIOTNEC-SNVBAGLBSA-N 0 1 185.267 1.457 10 0 ADAEMN COc1cc(C)cc(C)c1CNCO 258832599 573645545 /nfs/dbraw/zinc/64/55/45/573645545.db2.gz BIRGWKORFAPZIP-UHFFFAOYSA-N 0 1 195.262 1.351 10 0 ADAEMN CN(CO)Cc1ccc2c(c1)CCC2 258830385 573645595 /nfs/dbraw/zinc/64/55/95/573645595.db2.gz BHNQFCVZKXGCIX-UHFFFAOYSA-N 0 1 191.274 1.557 10 0 ADAEMN Cc1c(Cl)c(N)nc2n[nH]c(N)c12 75600200 573645823 /nfs/dbraw/zinc/64/58/23/573645823.db2.gz WMPJQGCRVQHQGF-UHFFFAOYSA-N 0 1 197.629 1.084 10 0 ADAEMN C[C@@H](C(=O)[O-])[C@]1(F)CCC[N@@H+](C)C1 257839776 573645869 /nfs/dbraw/zinc/64/58/69/573645869.db2.gz LRTOLIOKVYKMGO-CBAPKCEASA-N 0 1 189.230 1.141 10 0 ADAEMN C[C@@H]1C[C@@H]1C(=O)c1cnccc1N 83806726 573646169 /nfs/dbraw/zinc/64/61/69/573646169.db2.gz YZOQYBXVGMFCEU-RQJHMYQMSA-N 0 1 176.219 1.503 10 0 ADAEMN Cc1ccc(C)c([C@@H](N)N(C)C)c1 259539811 573646195 /nfs/dbraw/zinc/64/61/95/573646195.db2.gz NRTLYHLVBDCMEV-NSHDSACASA-N 0 1 178.279 1.822 10 0 ADAEMN CC[C@@H]1CC[C@@H](c2nnc(CN)[nH]2)C1 83803461 573646255 /nfs/dbraw/zinc/64/62/55/573646255.db2.gz MDDNJCFDMMDCKX-HTQZYQBOSA-N 0 1 194.282 1.557 10 0 ADAEMN CN(C)C(C)(C)C(=O)Cc1ccco1 130652912 573646535 /nfs/dbraw/zinc/64/65/35/573646535.db2.gz ARCWGXBLWNJVIC-UHFFFAOYSA-N 0 1 195.262 1.731 10 0 ADAEMN C[C@H]1CN[C@H]2Cc3ccccc3N2C1 238463251 573646596 /nfs/dbraw/zinc/64/65/96/573646596.db2.gz MTXRFKHPQXVTSD-JOYOIKCWSA-N 0 1 188.274 1.615 10 0 ADAEMN COC(=O)[C@@]1(N)CCCCC1(C)C 86847549 573646796 /nfs/dbraw/zinc/64/67/96/573646796.db2.gz PEGNAGLIIOTNEC-JTQLQIEISA-N 0 1 185.267 1.457 10 0 ADAEMN C[C@@]1(c2c[nH]c(CN)n2)CCSC1 257838343 573646876 /nfs/dbraw/zinc/64/68/76/573646876.db2.gz AXFCKAHLMGHCKY-SECBINFHSA-N 0 1 197.307 1.263 10 0 ADAEMN O=Cc1[nH]c(=O)nc2cc(F)ccc12 257839312 573647001 /nfs/dbraw/zinc/64/70/01/573647001.db2.gz LOVHRQJIJKYVNT-UHFFFAOYSA-N 0 1 192.149 1.287 10 0 ADAEMN CC[N@H+]1CC[C@H](C(F)(F)C(=O)[O-])C1 257840810 573650359 /nfs/dbraw/zinc/65/03/59/573650359.db2.gz MBTJZIBQZYLHIG-LURJTMIESA-N 0 1 193.193 1.048 10 0 ADAEMN CC(=O)CNCc1cc(C)ccc1C 258832595 573647964 /nfs/dbraw/zinc/64/79/64/573647964.db2.gz BINUPYYOEJGDAP-UHFFFAOYSA-N 0 1 191.274 1.982 10 0 ADAEMN CNCc1csc([C@H]2C[C@@H]2C)n1 83809830 573647991 /nfs/dbraw/zinc/64/79/91/573647991.db2.gz POFLZHRJQOUKMM-XPUUQOCRSA-N 0 1 182.292 1.986 10 0 ADAEMN COC[C@@H](C)[C@@H](C)N1CCC(=O)CC1 308653184 573648052 /nfs/dbraw/zinc/64/80/52/573648052.db2.gz LRDXJTZGYNTBLE-NXEZZACHSA-N 0 1 199.294 1.322 10 0 ADAEMN S=c1nc2c(c(Cl)[nH]1)CNC2 259539097 573648270 /nfs/dbraw/zinc/64/82/70/573648270.db2.gz VBECNKSIGSYXBT-UHFFFAOYSA-N 0 1 187.655 1.022 10 0 ADAEMN CC1(C)CCCC[C@]12CN=C(N)O2 86850405 573649461 /nfs/dbraw/zinc/64/94/61/573649461.db2.gz DNCFZBWTJGNQMG-JTQLQIEISA-N 0 1 182.267 1.670 10 0 ADAEMN C[N@H+]1CC[C@@H](CCC(=O)[O-])[C@H](F)C1 257840824 573649584 /nfs/dbraw/zinc/64/95/84/573649584.db2.gz MCIFFHMLZKOQHQ-HTQZYQBOSA-N 0 1 189.230 1.141 10 0 ADAEMN OCNCc1ccc(Cl)s1 258832620 573649726 /nfs/dbraw/zinc/64/97/26/573649726.db2.gz BJCPSSYLRRCUCD-UHFFFAOYSA-N 0 1 177.656 1.441 10 0 ADAEMN C[N@H+]1CC[C@H](CCC(=O)[O-])[C@@H](F)C1 257840827 573649749 /nfs/dbraw/zinc/64/97/49/573649749.db2.gz MCIFFHMLZKOQHQ-YUMQZZPRSA-N 0 1 189.230 1.141 10 0 ADAEMN C[C@@]1(C2CCCC2)NCCCC1=O 258838916 573651369 /nfs/dbraw/zinc/65/13/69/573651369.db2.gz JURSBTFOOGPYAY-NSHDSACASA-N 0 1 181.279 1.888 10 0 ADAEMN CC1(C)CCCC[C@@]1(N)c1ncon1 86848764 573649934 /nfs/dbraw/zinc/64/99/34/573649934.db2.gz OSKGSDQRWCBMHB-SNVBAGLBSA-N 0 1 195.266 1.824 10 0 ADAEMN CC1(C)CCCC[C@@]12CN=C(N)O2 86850404 573650273 /nfs/dbraw/zinc/65/02/73/573650273.db2.gz DNCFZBWTJGNQMG-SNVBAGLBSA-N 0 1 182.267 1.670 10 0 ADAEMN CC1(C)CCCc2nc(C=O)[nH]c21 86847979 573650289 /nfs/dbraw/zinc/65/02/89/573650289.db2.gz UCALSOZSHBGXJM-UHFFFAOYSA-N 0 1 178.235 1.836 10 0 ADAEMN CC(C)c1nc2n(n1)C[C@@H](F)C[C@H]2N 107817959 573650390 /nfs/dbraw/zinc/65/03/90/573650390.db2.gz UUMZRUAFIGWZGD-NKWVEPMBSA-N 0 1 198.245 1.143 10 0 ADAEMN C[N@H+]1CC[C@@H](CCC(=O)[O-])[C@@H](F)C1 257840826 573650416 /nfs/dbraw/zinc/65/04/16/573650416.db2.gz MCIFFHMLZKOQHQ-SFYZADRCSA-N 0 1 189.230 1.141 10 0 ADAEMN C[N@@H+](CC(=O)[O-])[C@@H]1CCCCC1(C)C 86850229 573650475 /nfs/dbraw/zinc/65/04/75/573650475.db2.gz DILQUZXDUPTOCN-SECBINFHSA-N 0 1 199.294 1.972 10 0 ADAEMN CNCc1csc([C@H]2C[C@H]2C)n1 83809829 573651292 /nfs/dbraw/zinc/65/12/92/573651292.db2.gz POFLZHRJQOUKMM-SVRRBLITSA-N 0 1 182.292 1.986 10 0 ADAEMN COc1cc(NCN)c(OC)cc1C 258838603 573651168 /nfs/dbraw/zinc/65/11/68/573651168.db2.gz HUPZWFOXUDCUHM-UHFFFAOYSA-N 0 1 196.250 1.340 10 0 ADAEMN C[N@@H+](Cc1cc[nH]c1)C(C)(C)C(=O)[O-] 258837234 573652862 /nfs/dbraw/zinc/65/28/62/573652862.db2.gz QOTIUOIVOQYSOO-UHFFFAOYSA-N 0 1 196.250 1.310 10 0 ADAEMN N[C@H](CO)Sc1ccc(F)cc1 259152059 573652513 /nfs/dbraw/zinc/65/25/13/573652513.db2.gz FRDBTVRCBZVCPP-QMMMGPOBSA-N 0 1 187.239 1.195 10 0 ADAEMN C[C@@H](C[N@@H+](C)Cc1ccc[nH]1)C(=O)[O-] 258844301 573652516 /nfs/dbraw/zinc/65/25/16/573652516.db2.gz IJHCQLIRMLVVDP-QMMMGPOBSA-N 0 1 196.250 1.167 10 0 ADAEMN C[C@H]1CCC[C@@](N)(c2nc(N)no2)C1 83812085 573652563 /nfs/dbraw/zinc/65/25/63/573652563.db2.gz OAHUIJAGGICFNR-RCOVLWMOSA-N 0 1 196.254 1.016 10 0 ADAEMN c1nscc1O[C@@H]1CCCCN1 258505629 573652630 /nfs/dbraw/zinc/65/26/30/573652630.db2.gz MIOIKJDSUFCDKO-MRVPVSSYSA-N 0 1 184.264 1.622 10 0 ADAEMN CC(C)c1nc2n(n1)C[C@@H](F)C[C@@H]2N 107817954 573652673 /nfs/dbraw/zinc/65/26/73/573652673.db2.gz UUMZRUAFIGWZGD-BQBZGAKWSA-N 0 1 198.245 1.143 10 0 ADAEMN CN(C)[C@H](O)c1c[nH]c2ccccc12 259543650 573652800 /nfs/dbraw/zinc/65/28/00/573652800.db2.gz NZCAZVSWZGAHIL-LLVKDONJSA-N 0 1 190.246 1.720 10 0 ADAEMN CNC1(c2cccc(Cl)c2)COC1 258506966 573652882 /nfs/dbraw/zinc/65/28/82/573652882.db2.gz FPTVKWNDXKVWPW-UHFFFAOYSA-N 0 1 197.665 1.785 10 0 ADAEMN CNCNCc1ccc2c(c1)CCC2 258840337 573653675 /nfs/dbraw/zinc/65/36/75/573653675.db2.gz HWOWVZBOQFMNCK-UHFFFAOYSA-N 0 1 190.290 1.442 10 0 ADAEMN CCN[C@H](c1ncn(C)n1)[C@H](C)CC 714721485 573653693 /nfs/dbraw/zinc/65/36/93/573653693.db2.gz QSEHHNXFZSFGTO-BDAKNGLRSA-N 0 1 196.298 1.512 10 0 ADAEMN CC(C)c1nc2n(n1)C[C@H](F)C[C@@H]2N 107817953 573653815 /nfs/dbraw/zinc/65/38/15/573653815.db2.gz UUMZRUAFIGWZGD-RQJHMYQMSA-N 0 1 198.245 1.143 10 0 ADAEMN CN(CO)CCc1cccc(F)c1 258844481 573654019 /nfs/dbraw/zinc/65/40/19/573654019.db2.gz CPRCRMOULFLOFU-UHFFFAOYSA-N 0 1 183.226 1.250 10 0 ADAEMN C[C@H](C[N@@H+](C)Cc1ccc[nH]1)C(=O)[O-] 258844299 573654295 /nfs/dbraw/zinc/65/42/95/573654295.db2.gz IJHCQLIRMLVVDP-MRVPVSSYSA-N 0 1 196.250 1.167 10 0 ADAEMN Cc1[nH]c2ccccc2c1N(C)CN 258844097 573654358 /nfs/dbraw/zinc/65/43/58/573654358.db2.gz IFPBAAMGDIAMRI-UHFFFAOYSA-N 0 1 189.262 1.829 10 0 ADAEMN CN(CO)CCc1ccc(Cl)cc1 258842618 573654393 /nfs/dbraw/zinc/65/43/93/573654393.db2.gz CNJUIWPFVUPQIC-UHFFFAOYSA-N 0 1 199.681 1.764 10 0 ADAEMN C[C@@H]1CC[N@H+]1C1(CC(=O)[O-])CCC1 86852796 573654675 /nfs/dbraw/zinc/65/46/75/573654675.db2.gz XJZVTRVZFHHDIB-MRVPVSSYSA-N 0 1 183.251 1.478 10 0 ADAEMN NOCc1ccc(F)c(F)c1O 258082434 573657091 /nfs/dbraw/zinc/65/70/91/573657091.db2.gz VWMADVKNGTZIBQ-UHFFFAOYSA-N 0 1 175.134 1.061 10 0 ADAEMN C[C@@H](N)c1ncc2cc(F)ccc2n1 257843381 573658071 /nfs/dbraw/zinc/65/80/71/573658071.db2.gz MYFKCTIXFQOUGV-ZCFIWIBFSA-N 0 1 191.209 1.789 10 0 ADAEMN C[N@H+]1CCCC[C@H]1/C=C\CC(=O)[O-] 258081102 573657967 /nfs/dbraw/zinc/65/79/67/573657967.db2.gz FXOYFAGIHRMSFF-RNEXMXFGSA-N 0 1 183.251 1.502 10 0 ADAEMN O=Cc1cc(C2CCSCC2)n[nH]1 257843349 573658941 /nfs/dbraw/zinc/65/89/41/573658941.db2.gz MXRYTMWKZHNSGV-UHFFFAOYSA-N 0 1 196.275 1.833 10 0 ADAEMN CC1(C)CCC[C@@]1(N)c1ncon1 86866942 573659737 /nfs/dbraw/zinc/65/97/37/573659737.db2.gz QYTFYQSJCSZUMQ-SECBINFHSA-N 0 1 181.239 1.434 10 0 ADAEMN CNCNCc1ccc(Cl)cc1 258851584 573659755 /nfs/dbraw/zinc/65/97/55/573659755.db2.gz IZYGRBVQIRLDNZ-UHFFFAOYSA-N 0 1 184.670 1.607 10 0 ADAEMN C[C@@H]1CCn2c(nc3c2CCNC3)C1 107832245 573659760 /nfs/dbraw/zinc/65/97/60/573659760.db2.gz QZRAGZMMGPMFJP-MRVPVSSYSA-N 0 1 191.278 1.111 10 0 ADAEMN C[N@@H+](Cc1ccc[nH]1)C(C)(C)C(=O)[O-] 258849912 573659833 /nfs/dbraw/zinc/65/98/33/573659833.db2.gz RVWFKQKVIHGKBW-UHFFFAOYSA-N 0 1 196.250 1.310 10 0 ADAEMN C[N@@H+](C/C=C/C(=O)[O-])Cc1ccc[nH]1 258849020 573659889 /nfs/dbraw/zinc/65/98/89/573659889.db2.gz FUJSSSOCXNCZSQ-HWKANZROSA-N 0 1 194.234 1.087 10 0 ADAEMN CCOc1ccc(CNCNC)cc1 258850108 573660119 /nfs/dbraw/zinc/66/01/19/573660119.db2.gz IWKOHADSOKAVJP-UHFFFAOYSA-N 0 1 194.278 1.352 10 0 ADAEMN CC(C)[N@@H+](C)CC[C@H](C)C(=O)[O-] 258847961 573660184 /nfs/dbraw/zinc/66/01/84/573660184.db2.gz IQJYXKZZGKWMCG-QMMMGPOBSA-N 0 1 173.256 1.437 10 0 ADAEMN C[C@H]1CCn2c(nc3c2CCNC3)C1 107832249 573660314 /nfs/dbraw/zinc/66/03/14/573660314.db2.gz QZRAGZMMGPMFJP-QMMMGPOBSA-N 0 1 191.278 1.111 10 0 ADAEMN C[C@H](N)c1nc2n(n1)CCC[C@@H]2F 107829473 573660336 /nfs/dbraw/zinc/66/03/36/573660336.db2.gz RQZLBXHVKDWPNJ-WDSKDSINSA-N 0 1 184.218 1.102 10 0 ADAEMN C[C@@H]([NH3+])c1ncc([C@H]2CCCS2)[nH]1 257842500 573660346 /nfs/dbraw/zinc/66/03/46/573660346.db2.gz CBWLVDWPYLMNOA-HTRCEHHLSA-N 0 1 197.307 1.998 10 0 ADAEMN C[C@H]1CCCn2c1nc1c2CCNC1 107832265 573660416 /nfs/dbraw/zinc/66/04/16/573660416.db2.gz GTDCFNLDSLGOII-QMMMGPOBSA-N 0 1 191.278 1.426 10 0 ADAEMN CNCN(C)Cc1ccc(C)cc1 258851780 573660418 /nfs/dbraw/zinc/66/04/18/573660418.db2.gz JCGVKQUIFBKTHJ-UHFFFAOYSA-N 0 1 178.279 1.604 10 0 ADAEMN CCOc1ccc(NCN)cc1C 258846494 573660576 /nfs/dbraw/zinc/66/05/76/573660576.db2.gz IPNIRFGZJXGTJB-UHFFFAOYSA-N 0 1 180.251 1.722 10 0 ADAEMN Cc1nc([C@@]2(N)CCCC2(C)C)no1 86866944 573660616 /nfs/dbraw/zinc/66/06/16/573660616.db2.gz ZABZSBSWPYAGQT-JTQLQIEISA-N 0 1 195.266 1.742 10 0 ADAEMN CNCNc1cccs1 258853763 573660635 /nfs/dbraw/zinc/66/06/35/573660635.db2.gz JHBLJAWMHKGZTI-UHFFFAOYSA-N 0 1 142.227 1.337 10 0 ADAEMN C[C@@H]1CCc2nc3c(n2C1)CCNC3 107832255 573660715 /nfs/dbraw/zinc/66/07/15/573660715.db2.gz RGAGTZJQGOIMKY-MRVPVSSYSA-N 0 1 191.278 1.111 10 0 ADAEMN C[C@H]([NH3+])c1ncc([C@@H]2CCCS2)[nH]1 257842506 573660794 /nfs/dbraw/zinc/66/07/94/573660794.db2.gz CBWLVDWPYLMNOA-XPUUQOCRSA-N 0 1 197.307 1.998 10 0 ADAEMN C[C@H]1CCN[C@@H](CC(=O)C(C)(C)C)N1 238472244 573660828 /nfs/dbraw/zinc/66/08/28/573660828.db2.gz SKVNMXZWEHFWRK-WCBMZHEXSA-N 0 1 198.310 1.289 10 0 ADAEMN C[C@H]1CCN[C@H](CC(=O)C(C)(C)C)N1 238472757 573660859 /nfs/dbraw/zinc/66/08/59/573660859.db2.gz SKVNMXZWEHFWRK-WPRPVWTQSA-N 0 1 198.310 1.289 10 0 ADAEMN CN[C@H](N)c1ccc(OC)c(C)c1 259545718 573660896 /nfs/dbraw/zinc/66/08/96/573660896.db2.gz XHDUCXYZXPNGHH-JTQLQIEISA-N 0 1 180.251 1.180 10 0 ADAEMN Cc1nc([C@]2(N)CCCC2(C)C)no1 86866943 573660912 /nfs/dbraw/zinc/66/09/12/573660912.db2.gz ZABZSBSWPYAGQT-SNVBAGLBSA-N 0 1 195.266 1.742 10 0 ADAEMN C[C@@H](N)c1nc2n(n1)CCC[C@@H]2F 107829475 573661054 /nfs/dbraw/zinc/66/10/54/573661054.db2.gz RQZLBXHVKDWPNJ-RITPCOANSA-N 0 1 184.218 1.102 10 0 ADAEMN C[C@@H]([NH3+])c1ncc([C@@H]2CCCS2)[nH]1 257842504 573661508 /nfs/dbraw/zinc/66/15/08/573661508.db2.gz CBWLVDWPYLMNOA-SVRRBLITSA-N 0 1 197.307 1.998 10 0 ADAEMN CC1(C)CCc2nc(CO)[nH]c21 86867498 573661548 /nfs/dbraw/zinc/66/15/48/573661548.db2.gz RYLZQKVTXIQSCN-UHFFFAOYSA-N 0 1 166.224 1.126 10 0 ADAEMN CN[C@H](OC)c1cccc(F)c1 259153305 573661659 /nfs/dbraw/zinc/66/16/59/573661659.db2.gz IGZPZQZNJOAECM-SECBINFHSA-N 0 1 169.199 1.690 10 0 ADAEMN CC(=O)[C@](C)(N)Cc1ccccc1 144622195 573661668 /nfs/dbraw/zinc/66/16/68/573661668.db2.gz PDPZPPUPQUQCNS-LLVKDONJSA-N 0 1 177.247 1.536 10 0 ADAEMN c1csc(NC[C@H]2COCCN2)c1 258851134 573661702 /nfs/dbraw/zinc/66/17/02/573661702.db2.gz FZEWLDDQLDWSOG-QMMMGPOBSA-N 0 1 198.291 1.148 10 0 ADAEMN CNCN(C)c1cccc(C)c1 258847948 573661716 /nfs/dbraw/zinc/66/17/16/573661716.db2.gz IQDKETRHYBSTCS-UHFFFAOYSA-N 0 1 164.252 1.608 10 0 ADAEMN Cc1ccccc1C(C)(C)C[NH2+]CN 258850102 573661738 /nfs/dbraw/zinc/66/17/38/573661738.db2.gz IWHZRQYBIVEHOO-UHFFFAOYSA-N 0 1 192.306 1.778 10 0 ADAEMN CN1CCC[C@@H]1c1csc(CN)n1 257843681 573661813 /nfs/dbraw/zinc/66/18/13/573661813.db2.gz CMFUGPMPILQVAO-MRVPVSSYSA-N 0 1 197.307 1.369 10 0 ADAEMN COC(=O)CCN(C)Cc1ccc[nH]1 258846902 573661888 /nfs/dbraw/zinc/66/18/88/573661888.db2.gz CVJIXRKUUWYEBF-UHFFFAOYSA-N 0 1 196.250 1.010 10 0 ADAEMN C[C@@H]1NCCc2ccc(O)c(F)c21 75642834 573661981 /nfs/dbraw/zinc/66/19/81/573661981.db2.gz UFMRGLZMMHGROP-LURJTMIESA-N 0 1 181.210 1.738 10 0 ADAEMN CCCc1ccc(N(C)CN)cc1 258853738 573662099 /nfs/dbraw/zinc/66/20/99/573662099.db2.gz JGQXFPUAEQIVLR-UHFFFAOYSA-N 0 1 178.279 1.992 10 0 ADAEMN CCOC(=O)[C@@]1(N)CCCC1(C)C 86866276 573662114 /nfs/dbraw/zinc/66/21/14/573662114.db2.gz WVOAKIVUVXSHEU-JTQLQIEISA-N 0 1 185.267 1.457 10 0 ADAEMN C[C@@H]1C[C@@H]2CCCC(=O)C2=C1O 238472564 573662580 /nfs/dbraw/zinc/66/25/80/573662580.db2.gz AIBIWUIYYVNRFP-BKPPORCPSA-N 0 1 166.220 1.581 10 0 ADAEMN C[C@@H](CC[N@@H+](C)C(C)(C)C)C(=O)[O-] 258851635 573662189 /nfs/dbraw/zinc/66/21/89/573662189.db2.gz JASBXCDOZHZJRL-QMMMGPOBSA-N 0 1 187.283 1.828 10 0 ADAEMN Cc1cc(N)c2nc3c(n2c1)CCC3 107828612 573662312 /nfs/dbraw/zinc/66/23/12/573662312.db2.gz OSVGIYFJSSFELJ-UHFFFAOYSA-N 0 1 187.246 1.714 10 0 ADAEMN OC[C@H]1NCCc2cc(F)cc(F)c21 75641770 573662356 /nfs/dbraw/zinc/66/23/56/573662356.db2.gz BZFWKFBHRCIHJY-SECBINFHSA-N 0 1 199.200 1.144 10 0 ADAEMN OC[C@@H]1NCCc2cc(F)cc(F)c21 75641772 573662432 /nfs/dbraw/zinc/66/24/32/573662432.db2.gz BZFWKFBHRCIHJY-VIFPVBQESA-N 0 1 199.200 1.144 10 0 ADAEMN CCO[C@H](C)c1nc([C@H](C)N)no1 308664681 573664896 /nfs/dbraw/zinc/66/48/96/573664896.db2.gz RVJWBIPUINOHDS-NTSWFWBYSA-N 0 1 185.227 1.187 10 0 ADAEMN C[N@@H+](CC(=O)[O-])[C@H]1CCCC1(C)C 86869684 573664997 /nfs/dbraw/zinc/66/49/97/573664997.db2.gz COJNIJLLNFDLMG-QMMMGPOBSA-N 0 1 185.267 1.582 10 0 ADAEMN Cc1c(Cl)ccn2c(N)cnc12 238474218 573664406 /nfs/dbraw/zinc/66/44/06/573664406.db2.gz NLIVMPRWGIGIAD-UHFFFAOYSA-N 0 1 181.626 1.878 10 0 ADAEMN CCO[C@@H](C)c1nc([C@H](C)N)no1 308664684 573664513 /nfs/dbraw/zinc/66/45/13/573664513.db2.gz RVJWBIPUINOHDS-WDSKDSINSA-N 0 1 185.227 1.187 10 0 ADAEMN COc1cc2c(cc1O)C1(CC1)NC2 257843852 573664607 /nfs/dbraw/zinc/66/46/07/573664607.db2.gz MYUBJAQTLDUIJV-UHFFFAOYSA-N 0 1 191.230 1.493 10 0 ADAEMN N[C@H]1CC[C@H]2Cc3cccc(O)c3N21 257843905 573664624 /nfs/dbraw/zinc/66/46/24/573664624.db2.gz NAAAYNHCQBWJDZ-WCBMZHEXSA-N 0 1 190.246 1.202 10 0 ADAEMN C[C@@H]1CC(=O)[C@H]2CC(C)(C)OC[C@@H]2N1 238475126 573665054 /nfs/dbraw/zinc/66/50/54/573665054.db2.gz NJFPDARJPGPQMZ-VGMNWLOBSA-N 0 1 197.278 1.121 10 0 ADAEMN Cc1c(C=O)oc2c1[C@H](N(C)C)CC2 75656411 573664955 /nfs/dbraw/zinc/66/49/55/573664955.db2.gz BIGJCRNQECHKRI-MRVPVSSYSA-N 0 1 193.246 1.949 10 0 ADAEMN Cc1cc(N)cc([C@H]2COCCN2)c1 238474954 573664796 /nfs/dbraw/zinc/66/47/96/573664796.db2.gz VJRVHYZPUAHBLA-LLVKDONJSA-N 0 1 192.262 1.238 10 0 ADAEMN C[C@H](C(=O)[O-])[N@@H+](C)[C@@H]1CCCC1(C)C 86869748 573665967 /nfs/dbraw/zinc/66/59/67/573665967.db2.gz KNVRWSFPWFLHEH-RKDXNWHRSA-N 0 1 199.294 1.970 10 0 ADAEMN C=CC[N@@H+]1CC[C@H](CC)C[C@H]1C(=O)[O-] 159041309 573666041 /nfs/dbraw/zinc/66/60/41/573666041.db2.gz DTUJBXCFCNVWFF-UWVGGRQHSA-N 0 1 197.278 1.748 10 0 ADAEMN CC[NH2+]Cc1ccc(C[NH+]2CCC2)o1 393667956 573666085 /nfs/dbraw/zinc/66/60/85/573666085.db2.gz FPMPZHHEVGXXKH-UHFFFAOYSA-N 0 1 194.278 1.595 10 0 ADAEMN C[C@@H]1C[C@@H](C)CC2(CN=C(N)O2)C1 83824562 573666145 /nfs/dbraw/zinc/66/61/45/573666145.db2.gz AJNQUEFJKLNUAG-HTQZYQBOSA-N 0 1 182.267 1.526 10 0 ADAEMN Fc1cc(F)c2c(c1)OCCNC2 83824086 573666235 /nfs/dbraw/zinc/66/62/35/573666235.db2.gz VPKQNQHIHOPIPT-UHFFFAOYSA-N 0 1 185.173 1.447 10 0 ADAEMN N[C@H]1CC[C@@H]2Cc3cccc(O)c3N12 257843903 573666278 /nfs/dbraw/zinc/66/62/78/573666278.db2.gz NAAAYNHCQBWJDZ-PSASIEDQSA-N 0 1 190.246 1.202 10 0 ADAEMN CCN(CC)c1cnc(N)cc1C 107846114 573666312 /nfs/dbraw/zinc/66/63/12/573666312.db2.gz OWNYGNPTYVXSLP-UHFFFAOYSA-N 0 1 179.267 1.818 10 0 ADAEMN C[C@@H]1CC(=O)[C@@H]2CCC[C@@H]2N1C 238474762 573666327 /nfs/dbraw/zinc/66/63/27/573666327.db2.gz PFXLYCFTEPPGOI-HLTSFMKQSA-N 0 1 167.252 1.448 10 0 ADAEMN C[N@@H+](CC(=O)[O-])[C@@H]1CCCC1(C)C 86869686 573666531 /nfs/dbraw/zinc/66/65/31/573666531.db2.gz COJNIJLLNFDLMG-MRVPVSSYSA-N 0 1 185.267 1.582 10 0 ADAEMN Cc1cc(N)ncc1N(C)C 107846147 573666617 /nfs/dbraw/zinc/66/66/17/573666617.db2.gz LJBCRWSCYLKLBP-UHFFFAOYSA-N 0 1 151.213 1.038 10 0 ADAEMN Cc1cc(N)cc([C@@H]2COCCN2)c1 238474766 573667013 /nfs/dbraw/zinc/66/70/13/573667013.db2.gz VJRVHYZPUAHBLA-NSHDSACASA-N 0 1 192.262 1.238 10 0 ADAEMN C[C@H]1CC(C)(C)C[C@@]2(CN=C(N)O2)C1 83824573 573666641 /nfs/dbraw/zinc/66/66/41/573666641.db2.gz VBYFBQCQPGRYDM-GZMMTYOYSA-N 0 1 196.294 1.916 10 0 ADAEMN N[C@@H]1CC[C@@H]2Cc3cccc(O)c3N12 257843904 573666714 /nfs/dbraw/zinc/66/67/14/573666714.db2.gz NAAAYNHCQBWJDZ-SCZZXKLOSA-N 0 1 190.246 1.202 10 0 ADAEMN COCNCc1ccc(F)c(F)c1 259154155 573666897 /nfs/dbraw/zinc/66/68/97/573666897.db2.gz SKHOGNUAGOUUQA-UHFFFAOYSA-N 0 1 187.189 1.658 10 0 ADAEMN N[C@@H]1CC[C@H]2Cc3cccc(O)c3N12 257843907 573666904 /nfs/dbraw/zinc/66/69/04/573666904.db2.gz NAAAYNHCQBWJDZ-WPRPVWTQSA-N 0 1 190.246 1.202 10 0 ADAEMN NCc1cc(-c2ccccc2O)on1 259154309 573666924 /nfs/dbraw/zinc/66/69/24/573666924.db2.gz IBGRJPVMYFSZJA-UHFFFAOYSA-N 0 1 190.202 1.506 10 0 ADAEMN CC[C@](C)(N)C(=O)OC(C)C 83825228 573669752 /nfs/dbraw/zinc/66/97/52/573669752.db2.gz JWASOWWLMKXLSM-QMMMGPOBSA-N 0 1 159.229 1.065 10 0 ADAEMN C[C@H](CCC1=CC[N@@H+](C)CC1)C(=O)[O-] 258077754 573672589 /nfs/dbraw/zinc/67/25/89/573672589.db2.gz MRNXIHUHJMMZGV-SECBINFHSA-N 0 1 197.278 1.749 10 0 ADAEMN NCc1cc(-c2cccc(O)c2)on1 258413521 573669480 /nfs/dbraw/zinc/66/94/80/573669480.db2.gz DGOCCDAMRWOCHH-UHFFFAOYSA-N 0 1 190.202 1.506 10 0 ADAEMN CO[C@H]1CCC[C@H]1NCc1ccno1 308660984 573669538 /nfs/dbraw/zinc/66/95/38/573669538.db2.gz PSUXEIQQUTVRKK-ZJUUUORDSA-N 0 1 196.250 1.332 10 0 ADAEMN CO[C@H]1CCC[C@@H]1NCc1ccno1 308660982 573669556 /nfs/dbraw/zinc/66/95/56/573669556.db2.gz PSUXEIQQUTVRKK-UWVGGRQHSA-N 0 1 196.250 1.332 10 0 ADAEMN OC[C@H](NCC1CC1)c1cscn1 126761300 573669686 /nfs/dbraw/zinc/66/96/86/573669686.db2.gz LBLXHSMIDXQWSD-QMMMGPOBSA-N 0 1 198.291 1.176 10 0 ADAEMN NCc1coc([C@H]2CCSC2)n1 259617331 573669951 /nfs/dbraw/zinc/66/99/51/573669951.db2.gz DYUDAIMLKQGKBF-LURJTMIESA-N 0 1 184.264 1.354 10 0 ADAEMN CCc1cc(=O)n(-c2nccs2)[nH]1 107892913 573669968 /nfs/dbraw/zinc/66/99/68/573669968.db2.gz TWPZPJIDYVKCNZ-UHFFFAOYSA-N 0 1 195.247 1.646 10 0 ADAEMN CC(C)(C)C[C@H]1CN=C(N)O1 83825275 573670322 /nfs/dbraw/zinc/67/03/22/573670322.db2.gz GOTUIPXFGQPUKJ-LURJTMIESA-N 0 1 156.229 1.136 10 0 ADAEMN Cc1c(Cl)cnc2c1OCC2=O 238475819 573670448 /nfs/dbraw/zinc/67/04/48/573670448.db2.gz VIIXQCNOLHPINR-UHFFFAOYSA-N 0 1 183.594 1.619 10 0 ADAEMN CC[C@H](OC)c1nc([C@H](C)N)no1 308661138 573670513 /nfs/dbraw/zinc/67/05/13/573670513.db2.gz PZDHSISHYYTRAH-WDSKDSINSA-N 0 1 185.227 1.187 10 0 ADAEMN OC[C@@H](NCC1CC1)c1cscn1 126761036 573673675 /nfs/dbraw/zinc/67/36/75/573673675.db2.gz LBLXHSMIDXQWSD-MRVPVSSYSA-N 0 1 198.291 1.176 10 0 ADAEMN CCCSc1cc(N)nc(N)n1 83824931 573670791 /nfs/dbraw/zinc/67/07/91/573670791.db2.gz XBOILLNFXFRUJL-UHFFFAOYSA-N 0 1 184.268 1.143 10 0 ADAEMN CC(C)(C)C[C@@H]1CN=C(N)O1 83825274 573670871 /nfs/dbraw/zinc/67/08/71/573670871.db2.gz GOTUIPXFGQPUKJ-ZCFIWIBFSA-N 0 1 156.229 1.136 10 0 ADAEMN CCN[C@H](CO)c1csc(C)n1 126752507 573671081 /nfs/dbraw/zinc/67/10/81/573671081.db2.gz IFOXXTPYKJVSII-SSDOTTSWSA-N 0 1 186.280 1.094 10 0 ADAEMN CCN[C@@H](CO)c1csc(C)n1 126752348 573671149 /nfs/dbraw/zinc/67/11/49/573671149.db2.gz IFOXXTPYKJVSII-ZETCQYMHSA-N 0 1 186.280 1.094 10 0 ADAEMN NC1=NCC2(CCCCCCC2)O1 83824986 573671267 /nfs/dbraw/zinc/67/12/67/573671267.db2.gz CMVYAVXQPVBDJK-UHFFFAOYSA-N 0 1 182.267 1.814 10 0 ADAEMN OCc1cc(C[C@H]2CCCS2)[nH]n1 258413663 573671392 /nfs/dbraw/zinc/67/13/92/573671392.db2.gz DIZSTGPSVIRAJP-SECBINFHSA-N 0 1 198.291 1.340 10 0 ADAEMN CC1(C)CCC[C@@H]1Nc1nc(N)n[nH]1 86879407 573671629 /nfs/dbraw/zinc/67/16/29/573671629.db2.gz OXANIXYDHODYES-LURJTMIESA-N 0 1 195.270 1.378 10 0 ADAEMN CCc1cc(C(=O)CNC)ccc1F 258078158 573671805 /nfs/dbraw/zinc/67/18/05/573671805.db2.gz MVEZJAHKOSBDKM-UHFFFAOYSA-N 0 1 195.237 1.790 10 0 ADAEMN OCc1cc(C[C@@H]2CCCS2)[nH]n1 258413665 573671982 /nfs/dbraw/zinc/67/19/82/573671982.db2.gz DIZSTGPSVIRAJP-VIFPVBQESA-N 0 1 198.291 1.340 10 0 ADAEMN N=C1N[C@@H](c2ccc(F)cc2)CO1 83825424 573672072 /nfs/dbraw/zinc/67/20/72/573672072.db2.gz YWOJXOYPGIUULD-MRVPVSSYSA-N 0 1 180.182 1.212 10 0 ADAEMN CC(C)[N@H+]1CCC[C@@H]1C/C=C\C(=O)[O-] 258076333 573672256 /nfs/dbraw/zinc/67/22/56/573672256.db2.gz FPVFIQWXSFJDOO-NXSJDDFASA-N 0 1 197.278 1.890 10 0 ADAEMN Cc1cc2cncn2cc1C 144673516 573672559 /nfs/dbraw/zinc/67/25/59/573672559.db2.gz AGDBOANIDCELOR-UHFFFAOYSA-N 0 1 146.193 1.951 10 0 ADAEMN CC1(C)CCC[C@H]1Nc1nc(N)n[nH]1 86879411 573672743 /nfs/dbraw/zinc/67/27/43/573672743.db2.gz OXANIXYDHODYES-ZCFIWIBFSA-N 0 1 195.270 1.378 10 0 ADAEMN COc1ccccc1CCN(C)CO 258869209 573672904 /nfs/dbraw/zinc/67/29/04/573672904.db2.gz GLIYUGSERCVKNO-UHFFFAOYSA-N 0 1 195.262 1.119 10 0 ADAEMN COc1cccc(N(C)CN)c1 258866447 573673018 /nfs/dbraw/zinc/67/30/18/573673018.db2.gz KPLPKFHQRCJHOD-UHFFFAOYSA-N 0 1 166.224 1.048 10 0 ADAEMN CSc1ccc(N(C)CN)cc1 258868923 573673176 /nfs/dbraw/zinc/67/31/76/573673176.db2.gz KUUQUOSXUJVFEU-UHFFFAOYSA-N 0 1 182.292 1.761 10 0 ADAEMN CC(C)[N@H+]1CCCC[C@@H]1/C=C\C(=O)[O-] 258076073 573673639 /nfs/dbraw/zinc/67/36/39/573673639.db2.gz FNEJTXSNTXCUPU-JYESYGNLSA-N 0 1 197.278 1.890 10 0 ADAEMN CC(=O)c1coc([C@@H]2CCN(C)C2)n1 258077826 573673461 /nfs/dbraw/zinc/67/34/61/573673461.db2.gz MHINIYZBFGIWHQ-MRVPVSSYSA-N 0 1 194.234 1.296 10 0 ADAEMN CCC[N@@H+](C)CC[C@H](C)C(=O)[O-] 258866476 573673485 /nfs/dbraw/zinc/67/34/85/573673485.db2.gz KQOLYEAQMKRPMW-QMMMGPOBSA-N 0 1 173.256 1.439 10 0 ADAEMN CC(C)[N@H+]1CC[C@@H](C/C=C\C(=O)[O-])C1 258076213 573673572 /nfs/dbraw/zinc/67/35/72/573673572.db2.gz FPAYPRTYLIMOOB-TZGMSPROSA-N 0 1 197.278 1.748 10 0 ADAEMN CCCN[C@@H](CO)c1cscn1 126757762 573673579 /nfs/dbraw/zinc/67/35/79/573673579.db2.gz KTCMYWNLDZGYHT-ZETCQYMHSA-N 0 1 186.280 1.176 10 0 ADAEMN N=C1N[C@H](c2ccc(F)cc2)CO1 83825423 573673785 /nfs/dbraw/zinc/67/37/85/573673785.db2.gz YWOJXOYPGIUULD-QMMMGPOBSA-N 0 1 180.182 1.212 10 0 ADAEMN COc1c(C)cc(C)cc1N(C)CN 258870319 573673861 /nfs/dbraw/zinc/67/38/61/573673861.db2.gz KWXITEHLJYZSFW-UHFFFAOYSA-N 0 1 194.278 1.664 10 0 ADAEMN CCCN[C@H](CO)c1cscn1 126757989 573673847 /nfs/dbraw/zinc/67/38/47/573673847.db2.gz KTCMYWNLDZGYHT-SSDOTTSWSA-N 0 1 186.280 1.176 10 0 ADAEMN CC(C)(CO)c1cccc2nc[nH]c12 258078163 573673889 /nfs/dbraw/zinc/67/38/89/573673889.db2.gz MVQKDJSXCXTCSC-UHFFFAOYSA-N 0 1 190.246 1.833 10 0 ADAEMN Cc1cc(NCN)ccc1F 258866470 573673967 /nfs/dbraw/zinc/67/39/67/573673967.db2.gz KQMOXABNBDNVEP-UHFFFAOYSA-N 0 1 154.188 1.462 10 0 ADAEMN CC(=O)c1coc([C@H]2CCN(C)C2)n1 258077828 573674015 /nfs/dbraw/zinc/67/40/15/573674015.db2.gz MHINIYZBFGIWHQ-QMMMGPOBSA-N 0 1 194.234 1.296 10 0 ADAEMN C[C@H](CC(=O)[O-])C[N@@H+](C)CC1CCC1 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CC(C)C[C@H]([NH3+])C[P@](C)(=O)[O-] 238192000 573905588 /nfs/dbraw/zinc/90/55/88/573905588.db2.gz BAHFGIGFBOYEAZ-ZETCQYMHSA-N 0 1 179.200 1.260 10 0 ADAEMN CCCC1=C(C(=O)[O-])CC[N@@H+](C)C1 257903715 573906030 /nfs/dbraw/zinc/90/60/30/573906030.db2.gz PGTYQXYALVGEKO-UHFFFAOYSA-N 0 1 183.251 1.503 10 0 ADAEMN CC(C)(C)c1cnnc(C2(N)CC2)n1 257904305 573905656 /nfs/dbraw/zinc/90/56/56/573905656.db2.gz ZHGZNFBHDPUBQL-UHFFFAOYSA-N 0 1 192.266 1.117 10 0 ADAEMN Cc1csc(CNC2CC(O)C2)n1 87376332 573905928 /nfs/dbraw/zinc/90/59/28/573905928.db2.gz WPOZKLYTULKNTD-UHFFFAOYSA-N 0 1 198.291 1.064 10 0 ADAEMN CC[C@@H]1C=C(C(=O)[O-])CC[N@H+]1C 258521282 573907807 /nfs/dbraw/zinc/90/78/07/573907807.db2.gz MHUYBXFJRMYAIQ-MRVPVSSYSA-N 0 1 169.224 1.112 10 0 ADAEMN Cc1ccc([C@H](O)N(C)C)cc1C 259234030 573907822 /nfs/dbraw/zinc/90/78/22/573907822.db2.gz AZMMPYQVCYGCTC-NSHDSACASA-N 0 1 179.263 1.856 10 0 ADAEMN CN[C@@H](Cc1ccoc1)c1ncc[nH]1 131698416 573908054 /nfs/dbraw/zinc/90/80/54/573908054.db2.gz BNROBUVHJKBIGQ-VIFPVBQESA-N 0 1 191.234 1.506 10 0 ADAEMN CCc1[nH+]ccn1[C@@H](C(=O)[O-])C(C)C 41671768 573908126 /nfs/dbraw/zinc/90/81/26/573908126.db2.gz XHWRSCRVXPQLNK-SECBINFHSA-N 0 1 196.250 1.727 10 0 ADAEMN O=C1COCc2nc3ccc[nH]c-3c21 76632854 573909312 /nfs/dbraw/zinc/90/93/12/573909312.db2.gz ZQAIXOBFRWBUQO-UHFFFAOYSA-N 0 1 188.186 1.276 10 0 ADAEMN Cc1ccc([C@@H](O)N(C)C)cc1C 259234028 573909366 /nfs/dbraw/zinc/90/93/66/573909366.db2.gz AZMMPYQVCYGCTC-LLVKDONJSA-N 0 1 179.263 1.856 10 0 ADAEMN C[C@H]1CC[N@@H+](C)CC[C@@H]1CC(=O)[O-] 76630569 573909535 /nfs/dbraw/zinc/90/95/35/573909535.db2.gz ODLPITVNLGQHFU-DTWKUNHWSA-N 0 1 185.267 1.439 10 0 ADAEMN c1oc([C@@H]2CNCCO2)nc1C1CC1 257896942 573909579 /nfs/dbraw/zinc/90/95/79/573909579.db2.gz YBSYMSLRXRWBLE-VIFPVBQESA-N 0 1 194.234 1.213 10 0 ADAEMN CCOC[C@H](NC)c1ccc(C)o1 131717480 573909589 /nfs/dbraw/zinc/90/95/89/573909589.db2.gz WGFSDGUJCDWKFK-VIFPVBQESA-N 0 1 183.251 1.885 10 0 ADAEMN CN(Cc1cc(N)no1)CC(C)(C)C 259233238 573910704 /nfs/dbraw/zinc/91/07/04/573910704.db2.gz NHXHFGRZVXJZIT-UHFFFAOYSA-N 0 1 197.282 1.735 10 0 ADAEMN CC[C@H](C)[N@@H+](C)C(C)(C)C(=O)[O-] 41854373 573911774 /nfs/dbraw/zinc/91/17/74/573911774.db2.gz YCYXKEMINUKZLG-ZETCQYMHSA-N 0 1 173.256 1.580 10 0 ADAEMN CC[C@H](C)[N@@H+](CC)C(C)(C)C(=O)[O-] 41874305 573911866 /nfs/dbraw/zinc/91/18/66/573911866.db2.gz JVFRMGJOUBKRRR-QMMMGPOBSA-N 0 1 187.283 1.970 10 0 ADAEMN C[C@H](C1CC1)[N@@H+](C)C(C)(C)C(=O)[O-] 41878269 573912754 /nfs/dbraw/zinc/91/27/54/573912754.db2.gz XNOUYSXPKLOCSI-SSDOTTSWSA-N 0 1 185.267 1.580 10 0 ADAEMN C[N@H+]1CC[C@H](F)[C@@](C)(C(=O)[O-])CC1 257898149 573912016 /nfs/dbraw/zinc/91/20/16/573912016.db2.gz YGWKRLGSSXJITO-CBAPKCEASA-N 0 1 189.230 1.141 10 0 ADAEMN CC(C)[C@H]1[C@@H](C(=O)[O-])CCCC[N@H+]1C 238183366 573912018 /nfs/dbraw/zinc/91/20/18/573912018.db2.gz KXELTXGMIKSJPH-UWVGGRQHSA-N 0 1 199.294 1.828 10 0 ADAEMN CCCC1([C@@H]2CN=C(N)O2)CCC1 686131791 573912038 /nfs/dbraw/zinc/91/20/38/573912038.db2.gz CMZVJSOPWNPMIE-QMMMGPOBSA-N 0 1 182.267 1.880 10 0 ADAEMN [NH3+]Cc1cc(C2CCC2)ncc1[O-] 258520391 573912075 /nfs/dbraw/zinc/91/20/75/573912075.db2.gz FARQQSZGFFUSLJ-UHFFFAOYSA-N 0 1 178.235 1.513 10 0 ADAEMN CO[C@@H](C(C)C)N(C)C 259239788 573912136 /nfs/dbraw/zinc/91/21/36/573912136.db2.gz RIVPFIOOHRYDEL-ZETCQYMHSA-N 0 1 131.219 1.177 10 0 ADAEMN Cc1nc(C[C@H]2CCCCO2)n[nH]1 87419791 573912300 /nfs/dbraw/zinc/91/23/00/573912300.db2.gz GVGBHHMROUFUFC-MRVPVSSYSA-N 0 1 181.239 1.225 10 0 ADAEMN Cc1nnc(C[C@H]2CCCCO2)[nH]1 87419791 573912304 /nfs/dbraw/zinc/91/23/04/573912304.db2.gz GVGBHHMROUFUFC-MRVPVSSYSA-N 0 1 181.239 1.225 10 0 ADAEMN CC1(C)OC[C@H]([C@@H](N)c2ccco2)O1 238183557 573912325 /nfs/dbraw/zinc/91/23/25/573912325.db2.gz IPRJHJINEHYGIA-BDAKNGLRSA-N 0 1 197.234 1.431 10 0 ADAEMN CCc1nnc(C[C@H]2CCCCO2)[nH]1 87419793 573912329 /nfs/dbraw/zinc/91/23/29/573912329.db2.gz QKJFOTIXMQOSAI-MRVPVSSYSA-N 0 1 195.266 1.479 10 0 ADAEMN CCc1nc(C[C@H]2CCCCO2)n[nH]1 87419793 573912334 /nfs/dbraw/zinc/91/23/34/573912334.db2.gz QKJFOTIXMQOSAI-MRVPVSSYSA-N 0 1 195.266 1.479 10 0 ADAEMN Cc1nnc(CNC2CC2)n1C1CC1 42031190 573912388 /nfs/dbraw/zinc/91/23/88/573912388.db2.gz XSBFTONYCRVFOT-UHFFFAOYSA-N 0 1 192.266 1.173 10 0 ADAEMN CCn1nc(Cl)c2c1CCNC2 257898106 573912400 /nfs/dbraw/zinc/91/24/00/573912400.db2.gz OMXMRBBDIINKOH-UHFFFAOYSA-N 0 1 185.658 1.202 10 0 ADAEMN Nc1c(Cl)cnn1-c1ccncc1 87418734 573912420 /nfs/dbraw/zinc/91/24/20/573912420.db2.gz WXNXTZAJGBTOAD-UHFFFAOYSA-N 0 1 194.625 1.503 10 0 ADAEMN CCCC1([C@H]2CN=C(N)O2)CCC1 686131790 573912429 /nfs/dbraw/zinc/91/24/29/573912429.db2.gz CMZVJSOPWNPMIE-MRVPVSSYSA-N 0 1 182.267 1.880 10 0 ADAEMN CN(C)[C@H](N)c1ccc2c(c1)CCC2 259236917 573912438 /nfs/dbraw/zinc/91/24/38/573912438.db2.gz BBVHPWLXKAXBAM-LBPRGKRZSA-N 0 1 190.290 1.694 10 0 ADAEMN CNC(C)(C)c1nccc(C)n1 259240049 573912582 /nfs/dbraw/zinc/91/25/82/573912582.db2.gz ZKHICGXXTHLPBJ-UHFFFAOYSA-N 0 1 165.240 1.240 10 0 ADAEMN Cc1nnc(CNC(C)C)n1C1CC1 42031154 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HHFYMQVCWAKLKT-SNVBAGLBSA-N 0 1 199.294 1.670 10 0 ADAEMN CCC(C)(C)NC(=O)c1nnc(C)[nH]1 87446708 573920120 /nfs/dbraw/zinc/92/01/20/573920120.db2.gz PYQXVYURRIYQIW-UHFFFAOYSA-N 0 1 196.254 1.032 10 0 ADAEMN C[N@H+](C1CCC1)[C@H](C(=O)[O-])C1CC1 127580180 573921163 /nfs/dbraw/zinc/92/11/63/573921163.db2.gz OBPUDKLPWMLCAN-VIFPVBQESA-N 0 1 183.251 1.334 10 0 ADAEMN CC(C)[C@H](N)c1occc1N 238186304 573921174 /nfs/dbraw/zinc/92/11/74/573921174.db2.gz PVOXTXHAZWJFRW-ZETCQYMHSA-N 0 1 154.213 1.518 10 0 ADAEMN CN(CO)CCc1ccc(F)cc1 259008423 573921402 /nfs/dbraw/zinc/92/14/02/573921402.db2.gz ZXNCEISSEAICKX-UHFFFAOYSA-N 0 1 183.226 1.250 10 0 ADAEMN CC[C@H](NC)c1nnc(C)n1CC 44626656 573921709 /nfs/dbraw/zinc/92/17/09/573921709.db2.gz XRHHCYFXDBPUCC-QMMMGPOBSA-N 0 1 182.271 1.277 10 0 ADAEMN CCCNCc1nnc(C)n1C1CC1 44626677 573923425 /nfs/dbraw/zinc/92/34/25/573923425.db2.gz SZXDJWFZEXEKAC-UHFFFAOYSA-N 0 1 194.282 1.421 10 0 ADAEMN CC[C@@H](NC)c1nnc(C)n1C1CC1 44626681 573921769 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/nfs/dbraw/zinc/92/46/59/573924659.db2.gz HCSPVJHKBZNFSG-LLVKDONJSA-N 0 1 196.294 1.822 10 0 ADAEMN COCCCCN1CCC(=O)C[C@@H]1C 44659216 573924663 /nfs/dbraw/zinc/92/46/63/573924663.db2.gz MCLNOVKICUIADQ-JTQLQIEISA-N 0 1 199.294 1.466 10 0 ADAEMN CC(C)NC(=O)c1nnc(C(C)C)[nH]1 87445668 573924737 /nfs/dbraw/zinc/92/47/37/573924737.db2.gz YKOSLVNEWITVPI-UHFFFAOYSA-N 0 1 196.254 1.066 10 0 ADAEMN CCC[C@H](O)CCc1cnc(C)n1C 308463849 573924745 /nfs/dbraw/zinc/92/47/45/573924745.db2.gz HCSPVJHKBZNFSG-NSHDSACASA-N 0 1 196.294 1.822 10 0 ADAEMN C[C@H](C[NH3+])c1ccc([O-])c(F)c1F 258181993 573925057 /nfs/dbraw/zinc/92/50/57/573925057.db2.gz WSDYHURUZQVSGH-RXMQYKEDSA-N 0 1 187.189 1.733 10 0 ADAEMN CC1=NC2=CCCC[C@@]2(C)C(=O)N1 238187787 573925064 /nfs/dbraw/zinc/92/50/64/573925064.db2.gz AWYJWAUWZSFRGC-SNVBAGLBSA-N 0 1 178.235 1.609 10 0 ADAEMN CC[C@](N)(C(=O)OC)C1CCCC1 215468658 573925152 /nfs/dbraw/zinc/92/51/52/573925152.db2.gz JSHSOYPKYCFWJH-SNVBAGLBSA-N 0 1 185.267 1.457 10 0 ADAEMN CC1=NC2=CCCC[C@]2(C)C(=O)N1 238187800 573925157 /nfs/dbraw/zinc/92/51/57/573925157.db2.gz AWYJWAUWZSFRGC-JTQLQIEISA-N 0 1 178.235 1.609 10 0 ADAEMN CCn1c(N)cnc1CN1CCCC1 257900333 573925216 /nfs/dbraw/zinc/92/52/16/573925216.db2.gz NYYCZQWQUFULMN-UHFFFAOYSA-N 0 1 194.282 1.081 10 0 ADAEMN CC[N@@H+](CCC(=O)[O-])[C@@H]1CC[C@H]2C[C@H]21 308463889 573925271 /nfs/dbraw/zinc/92/52/71/573925271.db2.gz HEFXPZPVMOTZGR-IVZWLZJFSA-N 0 1 197.278 1.582 10 0 ADAEMN CC[C@@](N)(C(=O)OC)C1CCCC1 215468700 573925563 /nfs/dbraw/zinc/92/55/63/573925563.db2.gz JSHSOYPKYCFWJH-JTQLQIEISA-N 0 1 185.267 1.457 10 0 ADAEMN NC1=N[C@H](CC2CCCCC2)CO1 87474545 573925618 /nfs/dbraw/zinc/92/56/18/573925618.db2.gz LONWDHHAVLDAMR-SECBINFHSA-N 0 1 182.267 1.670 10 0 ADAEMN CN1CCC[C@H](c2c[nH]c(=S)[nH]2)C1 259013336 573925694 /nfs/dbraw/zinc/92/56/94/573925694.db2.gz DMJKYORZQDOKBX-ZETCQYMHSA-N 0 1 197.307 1.508 10 0 ADAEMN CC[C@](N)(C(=O)OC)C1CCCCC1 215470723 573925722 /nfs/dbraw/zinc/92/57/22/573925722.db2.gz 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[NH3+][C@H]1COc2c1cc([O-])c(F)c2F 104488098 574003271 /nfs/dbraw/zinc/00/32/71/574003271.db2.gz NAVSITCUJYHDSX-BYPYZUCNSA-N 0 1 187.145 1.063 10 0 ADAEMN CC(C)(N)c1nc2ccnnc2s1 74246260 574004703 /nfs/dbraw/zinc/00/47/03/574004703.db2.gz FZPDQYIWSFMUOE-UHFFFAOYSA-N 0 1 194.263 1.280 10 0 ADAEMN C=Cc1cnc(N)cc1OCC 209777823 574004467 /nfs/dbraw/zinc/00/44/67/574004467.db2.gz BWRDAOYTFFVSFM-UHFFFAOYSA-N 0 1 164.208 1.706 10 0 ADAEMN Cc1ccc(S[C@H](N)CO)c(C)c1 259270647 574004487 /nfs/dbraw/zinc/00/44/87/574004487.db2.gz QYWSCOYKWHZHNP-JTQLQIEISA-N 0 1 197.303 1.673 10 0 ADAEMN Cn1c(CN)nnc1-c1cccs1 74246264 574004507 /nfs/dbraw/zinc/00/45/07/574004507.db2.gz HQXDHNKKXDSQRN-UHFFFAOYSA-N 0 1 194.263 1.002 10 0 ADAEMN CCN1CC[C@@H](Oc2nccs2)C1 585379528 574004635 /nfs/dbraw/zinc/00/46/35/574004635.db2.gz LILGYSPGKYQBOV-MRVPVSSYSA-N 0 1 198.291 1.616 10 0 ADAEMN Cc1[nH]c([C@H]2C[C@@H]2C(=O)[O-])[nH+]c1C 258523995 574004650 /nfs/dbraw/zinc/00/46/50/574004650.db2.gz HQINGAZEXDMSIP-BQBZGAKWSA-N 0 1 180.207 1.215 10 0 ADAEMN CC[C@@H](CC(=O)[O-])[N@H+]1CC[C@@H]1C 128034424 574004659 /nfs/dbraw/zinc/00/46/59/574004659.db2.gz IGHCFYYBGXWPLS-YUMQZZPRSA-N 0 1 171.240 1.334 10 0 ADAEMN CC[C@@H](C)[C@H](NC)C(F)F 87687567 574010699 /nfs/dbraw/zinc/01/06/99/574010699.db2.gz UZRFMNHFRUUXCI-RITPCOANSA-N 0 1 151.200 1.886 10 0 ADAEMN [NH3+][C@@H]1COc2c1ccc([O-])c2Cl 104487975 574006033 /nfs/dbraw/zinc/00/60/33/574006033.db2.gz HWIHMXWYXBBTIW-RXMQYKEDSA-N 0 1 185.610 1.438 10 0 ADAEMN COC[C@@H](N)c1c(F)cncc1F 104486803 574006075 /nfs/dbraw/zinc/00/60/75/574006075.db2.gz XFGSMUATZVYMHG-SSDOTTSWSA-N 0 1 188.177 1.006 10 0 ADAEMN CC(C)([NH3+])c1cc([O-])c(F)cc1F 258201044 574006137 /nfs/dbraw/zinc/00/61/37/574006137.db2.gz YILXZAGRWHLQQU-UHFFFAOYSA-N 0 1 187.189 1.864 10 0 ADAEMN CCC(=O)c1cc(C(C)=O)n[nH]1 238239772 574006141 /nfs/dbraw/zinc/00/61/41/574006141.db2.gz ROVSOVLKCXZPGG-UHFFFAOYSA-N 0 1 166.180 1.205 10 0 ADAEMN COc1ccc([C@@H](N)N(C)C)cc1F 259270912 574006167 /nfs/dbraw/zinc/00/61/67/574006167.db2.gz CABXFTZRXBHYTP-JTQLQIEISA-N 0 1 198.241 1.353 10 0 ADAEMN [NH3+][C@H]1COc2c1cc(F)c(F)c2[O-] 104488104 574006194 /nfs/dbraw/zinc/00/61/94/574006194.db2.gz SWLXSFVXDNQNMS-YFKPBYRVSA-N 0 1 187.145 1.063 10 0 ADAEMN CC(C)(C)NCc1nnc2n1CCC2 82304020 574006219 /nfs/dbraw/zinc/00/62/19/574006219.db2.gz OZROYWNQSBOGNY-UHFFFAOYSA-N 0 1 194.282 1.112 10 0 ADAEMN CCn1cncc1-c1cc(CN)on1 85184292 574006319 /nfs/dbraw/zinc/00/63/19/574006319.db2.gz SLDNZGDNQGEOQJ-UHFFFAOYSA-N 0 1 192.222 1.017 10 0 ADAEMN CC(C)[C@@H](C)N1CC(n2ccnn2)C1 585379925 574006383 /nfs/dbraw/zinc/00/63/83/574006383.db2.gz PRTIETLRWGXBNI-SECBINFHSA-N 0 1 194.282 1.179 10 0 ADAEMN [NH3+][C@@H]1CCc2c1cc(F)c(F)c2[O-] 104486401 574006393 /nfs/dbraw/zinc/00/63/93/574006393.db2.gz SJCNYHBWXDVUTG-SSDOTTSWSA-N 0 1 185.173 1.616 10 0 ADAEMN Cc1cnnc2sc([C@H](C)N)nc12 74246259 574006450 /nfs/dbraw/zinc/00/64/50/574006450.db2.gz IVVLGWNIFSGDCQ-YFKPBYRVSA-N 0 1 194.263 1.414 10 0 ADAEMN CCN1CCN[C@H]1c1ccccc1 238240370 574006491 /nfs/dbraw/zinc/00/64/91/574006491.db2.gz QXTNXPNGKQKDSU-LLVKDONJSA-N 0 1 176.263 1.610 10 0 ADAEMN [NH3+][C@H]1COc2c1ccc([O-])c2Cl 104486520 574006658 /nfs/dbraw/zinc/00/66/58/574006658.db2.gz HWIHMXWYXBBTIW-YFKPBYRVSA-N 0 1 185.610 1.438 10 0 ADAEMN [NH3+][C@@H]1COc2c1cc(F)c(F)c2[O-] 104489666 574008869 /nfs/dbraw/zinc/00/88/69/574008869.db2.gz SWLXSFVXDNQNMS-RXMQYKEDSA-N 0 1 187.145 1.063 10 0 ADAEMN C[C@](N)(CO)c1cc2ccccc2o1 104493356 574008885 /nfs/dbraw/zinc/00/88/85/574008885.db2.gz QBNCQTZIZCBUFG-NSHDSACASA-N 0 1 191.230 1.599 10 0 ADAEMN CCC(=O)c1nccc2nc(C)[nH]c12 238247195 574008916 /nfs/dbraw/zinc/00/89/16/574008916.db2.gz NYLDNLOMWIRJIX-UHFFFAOYSA-N 0 1 189.218 1.859 10 0 ADAEMN [NH3+][C@H]1CCOc2cc([O-])c(Cl)cc21 104492575 574008944 /nfs/dbraw/zinc/00/89/44/574008944.db2.gz IHWCHQORHNDTAN-ZETCQYMHSA-N 0 1 199.637 1.828 10 0 ADAEMN NC1(c2ncc(Cl)cc2F)CC1 104491368 574008979 /nfs/dbraw/zinc/00/89/79/574008979.db2.gz HSJSUKUTWFKXEE-UHFFFAOYSA-N 0 1 186.617 1.822 10 0 ADAEMN C[C@@](N)(CO)c1cc2ccccc2o1 104493351 574009976 /nfs/dbraw/zinc/00/99/76/574009976.db2.gz QBNCQTZIZCBUFG-LLVKDONJSA-N 0 1 191.230 1.599 10 0 ADAEMN Cc1c(F)cc([O-])c(F)c1[C@@H](C)[NH3+] 104489685 574010007 /nfs/dbraw/zinc/01/00/07/574010007.db2.gz BCQRWALSLTYLOT-RXMQYKEDSA-N 0 1 187.189 1.999 10 0 ADAEMN Cc1c(F)cc([O-])c(F)c1[C@H](C)[NH3+] 104489690 574010063 /nfs/dbraw/zinc/01/00/63/574010063.db2.gz BCQRWALSLTYLOT-YFKPBYRVSA-N 0 1 187.189 1.999 10 0 ADAEMN O=Cc1cc(C[C@@H]2CCSC2)n[nH]1 259272867 574010135 /nfs/dbraw/zinc/01/01/35/574010135.db2.gz PDQKZGMOZHGMBN-ZETCQYMHSA-N 0 1 196.275 1.518 10 0 ADAEMN COC[C@H](N)c1cccc(Cl)n1 104489647 574010179 /nfs/dbraw/zinc/01/01/79/574010179.db2.gz AGSIEEJECSFZJW-LURJTMIESA-N 0 1 186.642 1.381 10 0 ADAEMN C[C@H](O)[C@H](N)c1cc2ccccc2o1 104493328 574010251 /nfs/dbraw/zinc/01/02/51/574010251.db2.gz PSIOEFJBWOZPJP-CPCISQLKSA-N 0 1 191.230 1.813 10 0 ADAEMN CCCN[C@@H](C)C(F)F 87687445 574010311 /nfs/dbraw/zinc/01/03/11/574010311.db2.gz IXYSAFLQVVCZSN-YFKPBYRVSA-N 0 1 137.173 1.640 10 0 ADAEMN CC[C@H](C)[C@@H](NC)C(F)F 87687570 574010391 /nfs/dbraw/zinc/01/03/91/574010391.db2.gz UZRFMNHFRUUXCI-NTSWFWBYSA-N 0 1 151.200 1.886 10 0 ADAEMN CN[C@@H](C(F)F)C(C)(C)C 87687470 574010414 /nfs/dbraw/zinc/01/04/14/574010414.db2.gz GFORBXVYHLLCKP-YFKPBYRVSA-N 0 1 151.200 1.886 10 0 ADAEMN C[C@H](O)[C@@H](N)c1ncccc1Cl 104492995 574010434 /nfs/dbraw/zinc/01/04/34/574010434.db2.gz FIZBWZHDDYTYAX-CAHLUQPWSA-N 0 1 186.642 1.116 10 0 ADAEMN [NH3+][C@@H]1CCc2c1cc(F)c([O-])c2F 104489391 574010525 /nfs/dbraw/zinc/01/05/25/574010525.db2.gz DZOYGENLRCAPCN-SSDOTTSWSA-N 0 1 185.173 1.616 10 0 ADAEMN CCCc1ncc2n1C[C@@H](O)CC2 258202489 574010585 /nfs/dbraw/zinc/01/05/85/574010585.db2.gz JYBOEAFVPJWMSU-VIFPVBQESA-N 0 1 180.251 1.143 10 0 ADAEMN CN[C@@H](C(C)C)C(F)F 87687417 574010596 /nfs/dbraw/zinc/01/05/96/574010596.db2.gz PYQNZCBFDPDKKE-YFKPBYRVSA-N 0 1 137.173 1.496 10 0 ADAEMN 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BYGNLILXGCJKLV-UHFFFAOYSA-N 0 1 187.630 1.245 10 0 ADAEMN CO[C@@H](N)c1ccccc1C 259299998 574046088 /nfs/dbraw/zinc/04/60/88/574046088.db2.gz IAPMBYIQVZUBMF-SECBINFHSA-N 0 1 151.209 1.599 10 0 ADAEMN CO[C@H](N)c1ccccc1C 259300000 574046562 /nfs/dbraw/zinc/04/65/62/574046562.db2.gz IAPMBYIQVZUBMF-VIFPVBQESA-N 0 1 151.209 1.599 10 0 ADAEMN CC[C@@H](C)Sc1cc(N)nc(N)n1 87849847 574047045 /nfs/dbraw/zinc/04/70/45/574047045.db2.gz LJFQDDJKCBSCCX-RXMQYKEDSA-N 0 1 198.295 1.532 10 0 ADAEMN CC(C)(C)CNc1cncc(=NN)[nH]1 87863808 574047123 /nfs/dbraw/zinc/04/71/23/574047123.db2.gz VPJAHMLPERUCSG-UHFFFAOYSA-N 0 1 195.270 1.220 10 0 ADAEMN CC(C)(C)CNc1cncc(NN)n1 87863808 574047125 /nfs/dbraw/zinc/04/71/25/574047125.db2.gz VPJAHMLPERUCSG-UHFFFAOYSA-N 0 1 195.270 1.220 10 0 ADAEMN CC[C@H](C)Sc1cc(N)nc(N)n1 87849848 574047233 /nfs/dbraw/zinc/04/72/33/574047233.db2.gz LJFQDDJKCBSCCX-YFKPBYRVSA-N 0 1 198.295 1.532 10 0 ADAEMN CC(C)(C)Sc1cc(N)nc(N)n1 87850069 574047358 /nfs/dbraw/zinc/04/73/58/574047358.db2.gz AALPDDNBWWIDOT-UHFFFAOYSA-N 0 1 198.295 1.532 10 0 ADAEMN c1cnn(Nc2ccncc2)c1 10545 575189412 /nfs/dbraw/zinc/18/94/12/575189412.db2.gz ONPHFSHREYBRTA-UHFFFAOYSA-N 0 1 160.180 1.153 10 0 ADAEMN Cc1cnc(C)n1Cc1ccccn1 8507 575189447 /nfs/dbraw/zinc/18/94/47/575189447.db2.gz XOQUQWCSLXXSEP-UHFFFAOYSA-N 0 1 187.246 1.943 10 0 ADAEMN C[C@@H]1C(=O)Nc2cc3nn[nH]c3cc21 2426 575189464 /nfs/dbraw/zinc/18/94/64/575189464.db2.gz XTNWHLJQZNGIJE-BYPYZUCNSA-N 0 1 188.190 1.014 10 0 ADAEMN C1CCC2(C1)CCCN2c1nn[nH]n1 693666931 1450006541 /nfs/dbraw/zinc/00/65/41/1450006541.db2.gz YRUGDMYWOSBRFQ-UHFFFAOYSA-N 0 1 193.254 1.113 10 0 ADAEMN C[C@H]1C[C@H](Nc2nn[nH]n2)CC[C@H]1C 693699332 1450025352 /nfs/dbraw/zinc/02/53/52/1450025352.db2.gz PNJMCWWZMKYACY-GJMOJQLCSA-N 0 1 195.270 1.436 10 0 ADAEMN CCC1(CC)CCCN1c1nn[nH]n1 722004781 1450125715 /nfs/dbraw/zinc/12/57/15/1450125715.db2.gz SYQCOBKMNSIGPL-UHFFFAOYSA-N 0 1 195.270 1.359 10 0 ADAEMN 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150.225 1.692 10 0 ADAEMN Cc1nc2n(c1C)C[C@@H](C)C2 39080091 486722966 /nfs/dbraw/zinc/72/29/66/486722966.db2.gz CRDPWFRMOINGMM-LURJTMIESA-N 0 1 150.225 1.692 10 0 ADAEMN CC[C@@H]1CCN1Cc1cncn1CC 669569546 486725401 /nfs/dbraw/zinc/72/54/01/486725401.db2.gz OKRMVCZHCMPTGH-SNVBAGLBSA-N 0 1 193.294 1.887 10 0 ADAEMN CC[C@H]1CCN1Cc1cncn1CC 669569545 486725865 /nfs/dbraw/zinc/72/58/65/486725865.db2.gz OKRMVCZHCMPTGH-JTQLQIEISA-N 0 1 193.294 1.887 10 0 ADAEMN C[C@]1(O)C[C@@H](NCc2nccs2)C1 669574090 486727027 /nfs/dbraw/zinc/72/70/27/486727027.db2.gz VAEPFGITVHIIIG-OTSSQURYSA-N 0 1 198.291 1.146 10 0 ADAEMN CCc1ccc(CN(C)CCCO)o1 669621504 486730131 /nfs/dbraw/zinc/73/01/31/486730131.db2.gz KAYPZFHMFUIQNA-UHFFFAOYSA-N 0 1 197.278 1.656 10 0 ADAEMN CCCCCN1CC(=O)N(C)[C@@H](C)C1 669700137 486732640 /nfs/dbraw/zinc/73/26/40/486732640.db2.gz JPMANPJMWAXZHX-JTQLQIEISA-N 0 1 198.310 1.339 10 0 ADAEMN CCCCCN1CC(=O)N(C)[C@H](C)C1 669700138 486732962 /nfs/dbraw/zinc/73/29/62/486732962.db2.gz 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ADAEMN c1c(CNC2CC2)nnn1C1CCC1 405784984 487293037 /nfs/dbraw/zinc/29/30/37/487293037.db2.gz QQGHWCFZLXBQGT-UHFFFAOYSA-N 0 1 192.266 1.255 10 0 ADAEMN Cc1cc(NC(C)C)cnc1N 584882959 487296820 /nfs/dbraw/zinc/29/68/20/487296820.db2.gz BVZCJNBZDMSPCB-UHFFFAOYSA-N 0 1 165.240 1.793 10 0 ADAEMN CC(C)c1cc(=O)n(C2CC2)[nH]1 606248657 487302836 /nfs/dbraw/zinc/30/28/36/487302836.db2.gz GKNXMAFVVPYYFQ-UHFFFAOYSA-N 0 1 166.224 1.393 10 0 ADAEMN O=c1cc(C2CC2)[nH]n1C1CC1 606249569 487303050 /nfs/dbraw/zinc/30/30/50/487303050.db2.gz GZHXXUXSAOZDRV-UHFFFAOYSA-N 0 1 164.208 1.147 10 0 ADAEMN C[C@@H](O)CN1CC(CC(F)(F)F)C1 666144712 487322162 /nfs/dbraw/zinc/32/21/62/487322162.db2.gz JFYBLKDQQKCGQX-ZCFIWIBFSA-N 0 1 197.200 1.251 10 0 ADAEMN C[C@H](O)CN1CC(CC(F)(F)F)C1 666144711 487322226 /nfs/dbraw/zinc/32/22/26/487322226.db2.gz JFYBLKDQQKCGQX-LURJTMIESA-N 0 1 197.200 1.251 10 0 ADAEMN Cc1cc(CN[C@@H]2C[C@H]2C)nn1C 666256892 487325788 /nfs/dbraw/zinc/32/57/88/487325788.db2.gz GLNCGHBLFNSQGU-GMSGAONNSA-N 0 1 179.267 1.227 10 0 ADAEMN Cc1cc(CN[C@H]2C[C@@H]2C)nn1C 666256895 487325811 /nfs/dbraw/zinc/32/58/11/487325811.db2.gz GLNCGHBLFNSQGU-XVKPBYJWSA-N 0 1 179.267 1.227 10 0 ADAEMN Cc1cc(CN[C@H]2C[C@H]2C)nn1C 666256894 487325905 /nfs/dbraw/zinc/32/59/05/487325905.db2.gz GLNCGHBLFNSQGU-XCBNKYQSSA-N 0 1 179.267 1.227 10 0 ADAEMN Cc1cc(CN[C@@H]2C[C@@H]2C)nn1C 666256893 487325915 /nfs/dbraw/zinc/32/59/15/487325915.db2.gz GLNCGHBLFNSQGU-OIBJUYFYSA-N 0 1 179.267 1.227 10 0 ADAEMN CCn1ccnc1NCC1(F)CC1 666243677 487325947 /nfs/dbraw/zinc/32/59/47/487325947.db2.gz SJJSOIUQVCLDSV-UHFFFAOYSA-N 0 1 183.230 1.817 10 0 ADAEMN CCc1ncc(CN(C)CC)cn1 666293638 487326167 /nfs/dbraw/zinc/32/61/67/487326167.db2.gz IMPDFZJBOGLHSZ-UHFFFAOYSA-N 0 1 179.267 1.491 10 0 ADAEMN COC[C@@H]1CCN1Cc1ccoc1C 666383140 487327948 /nfs/dbraw/zinc/32/79/48/487327948.db2.gz DZJGQIWSQHAHTD-NSHDSACASA-N 0 1 195.262 1.809 10 0 ADAEMN COC[C@H]1CCN1Cc1ccoc1C 666383139 487328126 /nfs/dbraw/zinc/32/81/26/487328126.db2.gz DZJGQIWSQHAHTD-LLVKDONJSA-N 0 1 195.262 1.809 10 0 ADAEMN Cc1occc1CN1CC(CCO)C1 666391175 487328140 /nfs/dbraw/zinc/32/81/40/487328140.db2.gz AYZBDJVTABBIKJ-UHFFFAOYSA-N 0 1 195.262 1.402 10 0 ADAEMN CN(Cc1cnn2c1CCC2)C1CC1 667503986 487355540 /nfs/dbraw/zinc/35/55/40/487355540.db2.gz DCWFMJKHZGAIGV-UHFFFAOYSA-N 0 1 191.278 1.424 10 0 ADAEMN CCN(C)Cc1cnc2n1CCC2 667495394 487355668 /nfs/dbraw/zinc/35/56/68/487355668.db2.gz HLUFFCWNSKWYRK-UHFFFAOYSA-N 0 1 179.267 1.281 10 0 ADAEMN CCN(C)Cc1ccnn1CC1CC1 667495803 487355714 /nfs/dbraw/zinc/35/57/14/487355714.db2.gz ZXFKEIPSLHPVPA-UHFFFAOYSA-N 0 1 193.294 1.745 10 0 ADAEMN CCN(C)Cc1cnc(C)n1C 667495798 487355894 /nfs/dbraw/zinc/35/58/94/487355894.db2.gz ZSDWERODHPKSTG-UHFFFAOYSA-N 0 1 167.256 1.180 10 0 ADAEMN CCCn1nccc1CN(C)CC 667495667 487356004 /nfs/dbraw/zinc/35/60/04/487356004.db2.gz SQFAZXDOBIBVOJ-UHFFFAOYSA-N 0 1 181.283 1.745 10 0 ADAEMN CCN(C)Cc1c(C2CC2)cnn1C 667495575 487356089 /nfs/dbraw/zinc/35/60/89/487356089.db2.gz OVFSHPRFGXNILD-UHFFFAOYSA-N 0 1 193.294 1.749 10 0 ADAEMN CC[C@H]1C[C@@H](NCc2ccno2)CO1 667978463 487358381 /nfs/dbraw/zinc/35/83/81/487358381.db2.gz DEDKDRRLCPXUCV-BDAKNGLRSA-N 0 1 196.250 1.332 10 0 ADAEMN CC[C@@H]1C[C@H](NCc2ccno2)CO1 667978464 487358413 /nfs/dbraw/zinc/35/84/13/487358413.db2.gz DEDKDRRLCPXUCV-DTWKUNHWSA-N 0 1 196.250 1.332 10 0 ADAEMN CC[C@H]1C[C@H](NCc2ccno2)CO1 667978465 487358438 /nfs/dbraw/zinc/35/84/38/487358438.db2.gz DEDKDRRLCPXUCV-IUCAKERBSA-N 0 1 196.250 1.332 10 0 ADAEMN CC[C@@H]1C[C@@H](NCc2ccno2)CO1 667978466 487358497 /nfs/dbraw/zinc/35/84/97/487358497.db2.gz DEDKDRRLCPXUCV-RKDXNWHRSA-N 0 1 196.250 1.332 10 0 ADAEMN Cc1ncc(CN2CC(C)C2)n1C 668093103 487359914 /nfs/dbraw/zinc/35/99/14/487359914.db2.gz BRQYPQXWOCDEOY-UHFFFAOYSA-N 0 1 179.267 1.180 10 0 ADAEMN Cc1ncc(CN2[C@@H](C)C[C@H]2C)n1C 668090330 487360007 /nfs/dbraw/zinc/36/00/07/487360007.db2.gz KUWKDTXMQJOUAH-DTORHVGOSA-N 0 1 193.294 1.711 10 0 ADAEMN Cc1ncc(CN2[C@@H](C)C[C@@H]2C)n1C 668090331 487360031 /nfs/dbraw/zinc/36/00/31/487360031.db2.gz KUWKDTXMQJOUAH-IUCAKERBSA-N 0 1 193.294 1.711 10 0 ADAEMN CC1CN(Cc2cnc3n2CCC3)C1 668093527 487360147 /nfs/dbraw/zinc/36/01/47/487360147.db2.gz NBYFJYQNFJGTBB-UHFFFAOYSA-N 0 1 191.278 1.281 10 0 ADAEMN Cc1ncc(CN2[C@H](C)C[C@H]2C)n1C 668090332 487360203 /nfs/dbraw/zinc/36/02/03/487360203.db2.gz KUWKDTXMQJOUAH-RKDXNWHRSA-N 0 1 193.294 1.711 10 0 ADAEMN CC[C@H]1CCN1Cc1cnc(C)n1C 668189938 487360836 /nfs/dbraw/zinc/36/08/36/487360836.db2.gz UXKUUSFDUHSQFY-JTQLQIEISA-N 0 1 193.294 1.713 10 0 ADAEMN CC[C@@H]1CCN1Cc1cnc(C)n1C 668189939 487361117 /nfs/dbraw/zinc/36/11/17/487361117.db2.gz UXKUUSFDUHSQFY-SNVBAGLBSA-N 0 1 193.294 1.713 10 0 ADAEMN CN(Cc1cnc[nH]1)CC1(F)CC1 668422329 487361995 /nfs/dbraw/zinc/36/19/95/487361995.db2.gz YLQQKPMCUIIUEF-UHFFFAOYSA-N 0 1 183.230 1.344 10 0 ADAEMN COCCC1CN(CC2(F)CC2)C1 668471745 487362485 /nfs/dbraw/zinc/36/24/85/487362485.db2.gz JQTDORWFLCGQQO-UHFFFAOYSA-N 0 1 187.258 1.457 10 0 ADAEMN COCCC1CN(Cc2ccco2)C1 668472204 487362605 /nfs/dbraw/zinc/36/26/05/487362605.db2.gz FTGVLQTVZYRUQY-UHFFFAOYSA-N 0 1 195.262 1.748 10 0 ADAEMN CN(CC1=CCCOC1)CC1(F)CC1 668568401 487364374 /nfs/dbraw/zinc/36/43/74/487364374.db2.gz FMPQPTMLNNZOSA-UHFFFAOYSA-N 0 1 199.269 1.767 10 0 ADAEMN O[C@@]12CCN(Cc3ccco3)C[C@@H]1C2 668597931 487365085 /nfs/dbraw/zinc/36/50/85/487365085.db2.gz GOTZGPPNMUQWSK-GXSJLCMTSA-N 0 1 193.246 1.236 10 0 ADAEMN CCN(C)Cc1cncn1CC 669489922 487373776 /nfs/dbraw/zinc/37/37/76/487373776.db2.gz KTSYPEPVHUWXBV-UHFFFAOYSA-N 0 1 167.256 1.355 10 0 ADAEMN C1CC[C@@H]2[C@@H](C1)C[C@@H]2Nc1nn[nH]n1 712549613 1441428216 /nfs/dbraw/zinc/42/82/16/1441428216.db2.gz RLEWNMZKTUIHAU-RNJXMRFFSA-N 0 1 193.254 1.190 10 0 ADAEMN CC(C)CC(C)(C)CNc1nn[nH]n1 693738383 1441512941 /nfs/dbraw/zinc/51/29/41/1441512941.db2.gz IPOAQVRJSVEDFQ-UHFFFAOYSA-N 0 1 197.286 1.684 10 0 ADAEMN CC[C@@](C)(Nc1nn[nH]n1)C1CC1 693669026 1441531390 /nfs/dbraw/zinc/53/13/90/1441531390.db2.gz DDGSZZXUSKMYMK-MRVPVSSYSA-N 0 1 181.243 1.190 10 0 ADAEMN CCN(c1nn[nH]n1)[C@@H](C)C(C)C 706501481 1441541655 /nfs/dbraw/zinc/54/16/55/1441541655.db2.gz QAFLRSBNPBMCND-ZETCQYMHSA-N 0 1 183.259 1.071 10 0 ADAEMN C[C@@H](CCC(C)(C)C)Nc1nn[nH]n1 693755966 1441582601 /nfs/dbraw/zinc/58/26/01/1441582601.db2.gz MDFOXIAAFRKHDY-ZETCQYMHSA-N 0 1 197.286 1.826 10 0 ADAEMN C1CC[C@H]2[C@@H](C1)C[C@H]2Nc1nn[nH]n1 712549610 1441667753 /nfs/dbraw/zinc/66/77/53/1441667753.db2.gz RLEWNMZKTUIHAU-BIIVOSGPSA-N 0 1 193.254 1.190 10 0 ADAEMN CC(C)[C@@H](Nc1nn[nH]n1)C1CCC1 693666304 1441670940 /nfs/dbraw/zinc/67/09/40/1441670940.db2.gz AZOKNLZELFJUPI-MRVPVSSYSA-N 0 1 195.270 1.436 10 0 ADAEMN C[C@@H]1CCN(c2nn[nH]n2)C[C@H](C)C1 723838542 1441730990 /nfs/dbraw/zinc/73/09/90/1441730990.db2.gz VVIGNHZCNBSLAY-HTQZYQBOSA-N 0 1 195.270 1.072 10 0 ADAEMN CCCCN(c1nn[nH]n1)[C@H](C)CC 693745343 1441746761 /nfs/dbraw/zinc/74/67/61/1441746761.db2.gz NBXHDVGJHOQFGM-MRVPVSSYSA-N 0 1 197.286 1.605 10 0 ADAEMN C[C@@H]1CCC[C@@H](Nc2nn[nH]n2)CC1 693694792 1441757319 /nfs/dbraw/zinc/75/73/19/1441757319.db2.gz DPRNTYFVUZKJIL-HTQZYQBOSA-N 0 1 195.270 1.580 10 0 ADAEMN CC1(C)CCC[C@H]1CNc1nn[nH]n1 693696641 1441827812 /nfs/dbraw/zinc/82/78/12/1441827812.db2.gz RMAIRCFDAVIOHK-ZETCQYMHSA-N 0 1 195.270 1.438 10 0 ADAEMN Cc1nc(C(=O)C2CC2)sc1CN 757124757 582457557 /nfs/dbraw/zinc/45/75/57/582457557.db2.gz OPBHPKTWCDUPPE-UHFFFAOYSA-N 0 1 196.275 1.503 10 0 ADAEMN CCCC(=O)c1nc(C)c(CN)s1 757123026 582457687 /nfs/dbraw/zinc/45/76/87/582457687.db2.gz IAZRXNFNRNTQGQ-UHFFFAOYSA-N 0 1 198.291 1.893 10 0 ADAEMN CCC(=O)c1nc(C)c(CN)s1 757123914 582457928 /nfs/dbraw/zinc/45/79/28/582457928.db2.gz LGKYQSAGWGQYHB-UHFFFAOYSA-N 0 1 184.264 1.503 10 0 ADAEMN CC(=O)c1nc(C)c(CN)s1 757123931 582458074 /nfs/dbraw/zinc/45/80/74/582458074.db2.gz LXKAAHUWAPQTLK-UHFFFAOYSA-N 0 1 170.237 1.113 10 0 ADAEMN CNCc1csc([C@H](O)C2CC2)n1 757131736 582458434 /nfs/dbraw/zinc/45/84/34/582458434.db2.gz SLZPRKXANNWPEC-MRVPVSSYSA-N 0 1 198.291 1.306 10 0 ADAEMN Cc1nc(C(=O)C(C)C)sc1CN 757127358 582458437 /nfs/dbraw/zinc/45/84/37/582458437.db2.gz YTDFVOIDBOVSAB-UHFFFAOYSA-N 0 1 198.291 1.749 10 0 ADAEMN Cc1ccc2[nH]nnc2c1C=O 757126881 582458637 /nfs/dbraw/zinc/45/86/37/582458637.db2.gz HOWAXCQYCNYQIK-UHFFFAOYSA-N 0 1 161.164 1.079 10 0 ADAEMN CNCc1csc([C@@H](O)C2CC2)n1 757131745 582458733 /nfs/dbraw/zinc/45/87/33/582458733.db2.gz SLZPRKXANNWPEC-QMMMGPOBSA-N 0 1 198.291 1.306 10 0 ADAEMN N[C@@H](CF)c1cccc(O)c1F 757133198 582458883 /nfs/dbraw/zinc/45/88/83/582458883.db2.gz HJFMRNLGRCHXHU-LURJTMIESA-N 0 1 173.162 1.501 10 0 ADAEMN N[C@@H](CF)c1cc(O)ccc1F 757134776 582459055 /nfs/dbraw/zinc/45/90/55/582459055.db2.gz OTKVJEODDOKDGC-QMMMGPOBSA-N 0 1 173.162 1.501 10 0 ADAEMN CC[C@@H](O)c1nc(CNC)cs1 757133335 582459176 /nfs/dbraw/zinc/45/91/76/582459176.db2.gz VRFUGVHKWQDAHM-SSDOTTSWSA-N 0 1 186.280 1.306 10 0 ADAEMN Nc1ccccc1[C@@H](N)CF 757132675 582459182 /nfs/dbraw/zinc/45/91/82/582459182.db2.gz DSDCQNCSUORHFG-QMMMGPOBSA-N 0 1 154.188 1.238 10 0 ADAEMN N[C@H](CF)c1cccc(O)c1F 757133220 582459218 /nfs/dbraw/zinc/45/92/18/582459218.db2.gz HJFMRNLGRCHXHU-ZCFIWIBFSA-N 0 1 173.162 1.501 10 0 ADAEMN Nc1ccc(F)c([C@@H](N)CF)c1 757133092 582459316 /nfs/dbraw/zinc/45/93/16/582459316.db2.gz GMWCWQJCRKYJPT-QMMMGPOBSA-N 0 1 172.178 1.377 10 0 ADAEMN N[C@H](CF)c1cc(O)ccc1F 757134774 582459319 /nfs/dbraw/zinc/45/93/19/582459319.db2.gz OTKVJEODDOKDGC-MRVPVSSYSA-N 0 1 173.162 1.501 10 0 ADAEMN Nc1ccccc1[C@H](N)CF 757132662 582459382 /nfs/dbraw/zinc/45/93/82/582459382.db2.gz DSDCQNCSUORHFG-MRVPVSSYSA-N 0 1 154.188 1.238 10 0 ADAEMN CN(C)c1ccccc1[C@@H](N)CF 757133421 582459392 /nfs/dbraw/zinc/45/93/92/582459392.db2.gz IASIAIDRMYTNPF-VIFPVBQESA-N 0 1 182.242 1.722 10 0 ADAEMN CN(C)c1ccccc1[C@H](N)CF 757133412 582459421 /nfs/dbraw/zinc/45/94/21/582459421.db2.gz IASIAIDRMYTNPF-SECBINFHSA-N 0 1 182.242 1.722 10 0 ADAEMN CC[C@H](O)c1nc(CNC)cs1 757133341 582459516 /nfs/dbraw/zinc/45/95/16/582459516.db2.gz VRFUGVHKWQDAHM-ZETCQYMHSA-N 0 1 186.280 1.306 10 0 ADAEMN Nc1ccc(F)c([C@H](N)CF)c1 757133091 582459538 /nfs/dbraw/zinc/45/95/38/582459538.db2.gz GMWCWQJCRKYJPT-MRVPVSSYSA-N 0 1 172.178 1.377 10 0 ADAEMN Nc1cc(F)ccc1[C@H](N)CF 757136237 582459868 /nfs/dbraw/zinc/45/98/68/582459868.db2.gz ZQJOHGAGRNTPOT-MRVPVSSYSA-N 0 1 172.178 1.377 10 0 ADAEMN Nc1cc(F)ccc1[C@@H](N)CF 757136239 582460104 /nfs/dbraw/zinc/46/01/04/582460104.db2.gz ZQJOHGAGRNTPOT-QMMMGPOBSA-N 0 1 172.178 1.377 10 0 ADAEMN Cc1cc(=O)[nH]c(SC(F)F)n1 757137132 582460250 /nfs/dbraw/zinc/46/02/50/582460250.db2.gz XLIIINAHFRHPGQ-UHFFFAOYSA-N 0 1 192.190 1.805 10 0 ADAEMN C1CCC2(CC1)NC1(CCO2)COC1 757143665 582463607 /nfs/dbraw/zinc/46/36/07/582463607.db2.gz FBUIQOUINGRPOX-UHFFFAOYSA-N 0 1 197.278 1.426 10 0 ADAEMN CC(C)[C@@H]1NC2(COC2)OCC1(C)C 757151547 582466804 /nfs/dbraw/zinc/46/68/04/582466804.db2.gz QUBXLLLYUGPRJQ-VIFPVBQESA-N 0 1 199.294 1.384 10 0 ADAEMN CC(C)[C@H]1NC2(COC2)OCC1(C)C 757151544 582467038 /nfs/dbraw/zinc/46/70/38/582467038.db2.gz QUBXLLLYUGPRJQ-SECBINFHSA-N 0 1 199.294 1.384 10 0 ADAEMN C1CCC2(CC1)CCOC1(COC1)N2 757153474 582467481 /nfs/dbraw/zinc/46/74/81/582467481.db2.gz WCISCNDMTYEKIX-UHFFFAOYSA-N 0 1 197.278 1.426 10 0 ADAEMN CCC1(CC)NC2(CCO1)COC2 757153794 582467713 /nfs/dbraw/zinc/46/77/13/582467713.db2.gz YRWHZKQLFHOKOK-UHFFFAOYSA-N 0 1 185.267 1.282 10 0 ADAEMN CC(C)(C(=N)NO)C(F)(F)F 757165581 582468789 /nfs/dbraw/zinc/46/87/89/582468789.db2.gz JFCBSJDWLARQQA-UHFFFAOYSA-N 0 1 170.134 1.531 10 0 ADAEMN N=C(NO)C1(C(F)(F)F)CCC1 757165013 582468840 /nfs/dbraw/zinc/46/88/40/582468840.db2.gz YYIADWQTMMMSBC-UHFFFAOYSA-N 0 1 182.145 1.675 10 0 ADAEMN C1CCC2(CC1)C[C@@H]2Nc1nn[nH]n1 693727221 1441857186 /nfs/dbraw/zinc/85/71/86/1441857186.db2.gz GXFZSZSOJHEWQF-ZETCQYMHSA-N 0 1 193.254 1.334 10 0 ADAEMN CC[C@H](C)C[N@@H+](C)[C@H](C)c1nnn[n-]1 687716178 1441857268 /nfs/dbraw/zinc/85/72/68/1441857268.db2.gz JMWPOHFDBGIPIR-JGVFFNPUSA-N 0 1 197.286 1.239 10 0 ADAEMN Cc1cc(N)c2oc(C)c(O)c2c1 757176059 582471177 /nfs/dbraw/zinc/47/11/77/582471177.db2.gz XXJPUUBRHBYINQ-ZCFIWIBFSA-N 0 1 177.203 1.541 10 0 ADAEMN Cc1cc(N)c2oc(C)c(O)c2c1 757176058 582471580 /nfs/dbraw/zinc/47/15/80/582471580.db2.gz XXJPUUBRHBYINQ-LURJTMIESA-N 0 1 177.203 1.541 10 0 ADAEMN C[C@@H]1CC=CC[C@H]1NC(=O)CN(C)C 890771017 582471611 /nfs/dbraw/zinc/47/16/11/582471611.db2.gz JEGHASWJYPXSPO-NXEZZACHSA-N 0 1 196.294 1.019 10 0 ADAEMN C#CCN(CC#C)CCc1ccccc1 146347432 582478851 /nfs/dbraw/zinc/47/88/51/582478851.db2.gz PIVXEPNORGLJFG-UHFFFAOYSA-N 0 1 197.281 1.798 10 0 ADAEMN C[C@@H]1C[C@H]1Nc1ccncc1C(N)=O 306240435 582485387 /nfs/dbraw/zinc/48/53/87/582485387.db2.gz RNKLOFQZAOHNLM-HZGVNTEJSA-N 0 1 191.234 1.001 10 0 ADAEMN C[C@@H](NCCF)c1cn[nH]c1 307756830 582488708 /nfs/dbraw/zinc/48/87/08/582488708.db2.gz JANSXRUVDFEIQE-ZCFIWIBFSA-N 0 1 157.192 1.030 10 0 ADAEMN O[C@@H]1CCC[C@H](NCc2cocn2)C1 306222026 582485507 /nfs/dbraw/zinc/48/55/07/582485507.db2.gz QHEULVCBHRSKAP-WCBMZHEXSA-N 0 1 196.250 1.068 10 0 ADAEMN O[C@@H]1CCC[C@@H](NCc2cocn2)C1 306222022 582485647 /nfs/dbraw/zinc/48/56/47/582485647.db2.gz QHEULVCBHRSKAP-PSASIEDQSA-N 0 1 196.250 1.068 10 0 ADAEMN O[C@H]1CCC[C@@H](NCc2cocn2)C1 306222024 582485696 /nfs/dbraw/zinc/48/56/96/582485696.db2.gz QHEULVCBHRSKAP-SCZZXKLOSA-N 0 1 196.250 1.068 10 0 ADAEMN O[C@H]1CCC[C@H](NCc2cocn2)C1 306222028 582485739 /nfs/dbraw/zinc/48/57/39/582485739.db2.gz QHEULVCBHRSKAP-WPRPVWTQSA-N 0 1 196.250 1.068 10 0 ADAEMN C[C@@H]1CCCN1Cc1cocn1 306526410 582487527 /nfs/dbraw/zinc/48/75/27/582487527.db2.gz UMMOWLZPIFMXIA-MRVPVSSYSA-N 0 1 166.224 1.659 10 0 ADAEMN C[C@H]1CCCN1Cc1cocn1 306526411 582487531 /nfs/dbraw/zinc/48/75/31/582487531.db2.gz UMMOWLZPIFMXIA-QMMMGPOBSA-N 0 1 166.224 1.659 10 0 ADAEMN C[C@H]1CN(Cc2cn[nH]c2)CCS1 306530136 582487558 /nfs/dbraw/zinc/48/75/58/582487558.db2.gz DCJGTNNSJQECML-QMMMGPOBSA-N 0 1 197.307 1.347 10 0 ADAEMN Cc1n[nH]c2c1C[C@@H](C)CC2 45821407 582487971 /nfs/dbraw/zinc/48/79/71/582487971.db2.gz YTGLOQKZTIPSKE-LURJTMIESA-N 0 1 150.225 1.843 10 0 ADAEMN Cc1n[nH]c2c1C[C@H](C)CC2 45821410 582487980 /nfs/dbraw/zinc/48/79/80/582487980.db2.gz YTGLOQKZTIPSKE-ZCFIWIBFSA-N 0 1 150.225 1.843 10 0 ADAEMN C[C@H](NCCF)c1cn[nH]c1 307756829 582488896 /nfs/dbraw/zinc/48/88/96/582488896.db2.gz JANSXRUVDFEIQE-LURJTMIESA-N 0 1 157.192 1.030 10 0 ADAEMN COCCC(O)=CC(=O)C1CCC1 393256398 582491795 /nfs/dbraw/zinc/49/17/95/582491795.db2.gz GCZPSVRCUKYHID-UHFFFAOYSA-N 0 1 184.235 1.351 10 0 ADAEMN CC(C)(C)C(=O)C=C(O)[C@@H]1CCOC1 229650836 582492898 /nfs/dbraw/zinc/49/28/98/582492898.db2.gz VHEYSRNXKLCCOE-MRVPVSSYSA-N 0 1 198.262 1.597 10 0 ADAEMN CC(C)[C@@H](CO)CNCc1cocn1 393692348 582493256 /nfs/dbraw/zinc/49/32/56/582493256.db2.gz XHHWZUORZZAXEQ-SECBINFHSA-N 0 1 198.266 1.029 10 0 ADAEMN CC[C@@]1(COC)NCCc2ccoc21 701330940 582493533 /nfs/dbraw/zinc/49/35/33/582493533.db2.gz CRUDACZLUPWZTN-NSHDSACASA-N 0 1 195.262 1.677 10 0 ADAEMN CC(C)[C@H](CO)CNCc1cocn1 393692349 582493666 /nfs/dbraw/zinc/49/36/66/582493666.db2.gz XHHWZUORZZAXEQ-VIFPVBQESA-N 0 1 198.266 1.029 10 0 ADAEMN CC[C@]1(COC)NCCc2ccoc21 701330939 582493759 /nfs/dbraw/zinc/49/37/59/582493759.db2.gz CRUDACZLUPWZTN-LLVKDONJSA-N 0 1 195.262 1.677 10 0 ADAEMN CCC(=CO)C(=O)[C@H]1CC1(C)C 397688841 582502664 /nfs/dbraw/zinc/50/26/64/582502664.db2.gz MJOXWHSJYXDQHF-HTQZYQBOSA-N 0 1 168.236 1.827 10 0 ADAEMN COCC(O)=CC(=O)[C@H]1CC1(C)C 397683942 582502722 /nfs/dbraw/zinc/50/27/22/582502722.db2.gz MSSVFOGXNUTCGE-MRVPVSSYSA-N 0 1 184.235 1.207 10 0 ADAEMN CC1(C)C[C@@H]1C(O)=CC(=O)C1CC1 397700381 582502854 /nfs/dbraw/zinc/50/28/54/582502854.db2.gz RHANFIOQIBSNFE-MRVPVSSYSA-N 0 1 180.247 1.971 10 0 ADAEMN COCCC(O)=CC(=O)[C@@H]1CC1(C)C 397728887 582502918 /nfs/dbraw/zinc/50/29/18/582502918.db2.gz ZJNCMVZULWOJQC-VIFPVBQESA-N 0 1 198.262 1.597 10 0 ADAEMN COCC(O)=CC(=O)[C@@H]1CC1(C)C 397683943 582502922 /nfs/dbraw/zinc/50/29/22/582502922.db2.gz MSSVFOGXNUTCGE-QMMMGPOBSA-N 0 1 184.235 1.207 10 0 ADAEMN CCC(=CO)C(=O)[C@@H]1CC1(C)C 397688844 582503047 /nfs/dbraw/zinc/50/30/47/582503047.db2.gz MJOXWHSJYXDQHF-YUMQZZPRSA-N 0 1 168.236 1.827 10 0 ADAEMN CC1(C)C[C@H]1C(O)=CC(=O)C1CC1 397700383 582503184 /nfs/dbraw/zinc/50/31/84/582503184.db2.gz RHANFIOQIBSNFE-QMMMGPOBSA-N 0 1 180.247 1.971 10 0 ADAEMN CCC(=CO)C(=O)[C@@H]1CC1(C)C 397688843 582503248 /nfs/dbraw/zinc/50/32/48/582503248.db2.gz MJOXWHSJYXDQHF-SFYZADRCSA-N 0 1 168.236 1.827 10 0 ADAEMN CCC(=CO)C(=O)[C@H]1CC1(C)C 397688842 582503327 /nfs/dbraw/zinc/50/33/27/582503327.db2.gz MJOXWHSJYXDQHF-JGVFFNPUSA-N 0 1 168.236 1.827 10 0 ADAEMN COCCC(O)=CC(=O)[C@H]1CC1(C)C 397728885 582503422 /nfs/dbraw/zinc/50/34/22/582503422.db2.gz ZJNCMVZULWOJQC-SECBINFHSA-N 0 1 198.262 1.597 10 0 ADAEMN CCC(=O)C=C(O)[C@@H]1CC1(C)C 397717535 582503450 /nfs/dbraw/zinc/50/34/50/582503450.db2.gz WMQOKXLNMBFAOP-QMMMGPOBSA-N 0 1 168.236 1.971 10 0 ADAEMN Cc1coc(CN(C)[C@H]2CCOC2)c1 894002111 582508740 /nfs/dbraw/zinc/50/87/40/582508740.db2.gz NGJDIXKEEUPBRS-JTQLQIEISA-N 0 1 195.262 1.809 10 0 ADAEMN CN(CN1CCC1=O)C1CC(C)(C)C1 857235794 582504925 /nfs/dbraw/zinc/50/49/25/582504925.db2.gz ACCDCDQRWOSMKG-UHFFFAOYSA-N 0 1 196.294 1.297 10 0 ADAEMN Cc1coc(CN(C)[C@@H]2CCOC2)c1 894002112 582508734 /nfs/dbraw/zinc/50/87/34/582508734.db2.gz NGJDIXKEEUPBRS-SNVBAGLBSA-N 0 1 195.262 1.809 10 0 ADAEMN Cc1ncoc1CN(C)C1CCC1 894032297 582508676 /nfs/dbraw/zinc/50/86/76/582508676.db2.gz HMWCDQCQCWSCOR-UHFFFAOYSA-N 0 1 180.251 1.967 10 0 ADAEMN Cc1ncoc1CN1CCC1(C)C 894032468 582509170 /nfs/dbraw/zinc/50/91/70/582509170.db2.gz JRRUBJAORHJEJP-UHFFFAOYSA-N 0 1 180.251 1.967 10 0 ADAEMN Cc1coc(CN(CCO)C2CC2)c1 893944010 582509266 /nfs/dbraw/zinc/50/92/66/582509266.db2.gz LSUWAUMWRGRHPB-UHFFFAOYSA-N 0 1 195.262 1.545 10 0 ADAEMN Cc1coc(CN2CCCOCC2)c1 893996039 582509372 /nfs/dbraw/zinc/50/93/72/582509372.db2.gz YCVNNMKWTUPSGH-UHFFFAOYSA-N 0 1 195.262 1.810 10 0 ADAEMN CCN(Cc1nccn1C)C(C)C 726691448 582511297 /nfs/dbraw/zinc/51/12/97/582511297.db2.gz FGDYCXSRODTSFH-UHFFFAOYSA-N 0 1 181.283 1.650 10 0 ADAEMN Cc1ncoc1CN[C@H]1CCCOC1 894229727 582512276 /nfs/dbraw/zinc/51/22/76/582512276.db2.gz MMQOSTKBWQFESG-VIFPVBQESA-N 0 1 196.250 1.252 10 0 ADAEMN Cc1ncoc1CN[C@@H]1CCCOC1 894229726 582512324 /nfs/dbraw/zinc/51/23/24/582512324.db2.gz MMQOSTKBWQFESG-SECBINFHSA-N 0 1 196.250 1.252 10 0 ADAEMN CCN(CN1CCCC1=O)C1CCC1 738052797 582513228 /nfs/dbraw/zinc/51/32/28/582513228.db2.gz FJBXMPXOXZTESL-UHFFFAOYSA-N 0 1 196.294 1.441 10 0 ADAEMN Cc1coc(CN(C)C2CC(O)C2)c1 894462275 582515720 /nfs/dbraw/zinc/51/57/20/582515720.db2.gz TVGPXAVFBJVEFG-UHFFFAOYSA-N 0 1 195.262 1.543 10 0 ADAEMN Cc1n[nH]c(C[N@@H+]2CC=CCC2)c1C 894422135 582515760 /nfs/dbraw/zinc/51/57/60/582515760.db2.gz FUJLYPKMHRDVHU-UHFFFAOYSA-N 0 1 191.278 1.788 10 0 ADAEMN Cc1n[nH]c(CN2CC=CCC2)c1C 894422135 582515762 /nfs/dbraw/zinc/51/57/62/582515762.db2.gz FUJLYPKMHRDVHU-UHFFFAOYSA-N 0 1 191.278 1.788 10 0 ADAEMN Cc1coc(C[N@H+](C)C[C@@H](C)O)c1 894449832 582515831 /nfs/dbraw/zinc/51/58/31/582515831.db2.gz DKWAOFXFURGDSQ-SECBINFHSA-N 0 1 183.251 1.401 10 0 ADAEMN Cc1coc(CN(C)C[C@@H](C)O)c1 894449832 582515833 /nfs/dbraw/zinc/51/58/33/582515833.db2.gz DKWAOFXFURGDSQ-SECBINFHSA-N 0 1 183.251 1.401 10 0 ADAEMN Cc1coc(CN(C)C[C@H](C)O)c1 894449834 582516212 /nfs/dbraw/zinc/51/62/12/582516212.db2.gz DKWAOFXFURGDSQ-VIFPVBQESA-N 0 1 183.251 1.401 10 0 ADAEMN Cc1[nH]nc(CN2CC(F)C2)c1C 894443400 582516087 /nfs/dbraw/zinc/51/60/87/582516087.db2.gz GRIZDCXKCZSDAJ-UHFFFAOYSA-N 0 1 183.230 1.180 10 0 ADAEMN Cc1coc(C[N@H+](C)C[C@H](C)O)c1 894449834 582516209 /nfs/dbraw/zinc/51/62/09/582516209.db2.gz DKWAOFXFURGDSQ-VIFPVBQESA-N 0 1 183.251 1.401 10 0 ADAEMN CCOC[C@H](C)NCc1ocnc1C 894498495 582516273 /nfs/dbraw/zinc/51/62/73/582516273.db2.gz YIAAKGDIJNPRJI-QMMMGPOBSA-N 0 1 198.266 1.498 10 0 ADAEMN Cc1ncoc1CN(C)CCCCO 894539625 582516485 /nfs/dbraw/zinc/51/64/85/582516485.db2.gz WDCVBBQXOKYSRA-UHFFFAOYSA-N 0 1 198.266 1.187 10 0 ADAEMN Cc1ncoc1CN1[C@H](C)C[C@H]1C 894600210 582516548 /nfs/dbraw/zinc/51/65/48/582516548.db2.gz GCGSGKXBIRDCAX-HTQZYQBOSA-N 0 1 180.251 1.966 10 0 ADAEMN Cc1ccnc(N)c1CN1CC(C)C1 894608651 582516636 /nfs/dbraw/zinc/51/66/36/582516636.db2.gz KHPZNUXTFZKOKE-UHFFFAOYSA-N 0 1 191.278 1.424 10 0 ADAEMN CCn1cc(CN[C@@H](C)CF)c(C)n1 894600658 582516791 /nfs/dbraw/zinc/51/67/91/582516791.db2.gz KBTZDVSZXXQCGY-QMMMGPOBSA-N 0 1 199.273 1.659 10 0 ADAEMN Cc1coc(CN(C)CCCO)c1 894664127 582516883 /nfs/dbraw/zinc/51/68/83/582516883.db2.gz VKIXSJXIECZFOJ-UHFFFAOYSA-N 0 1 183.251 1.402 10 0 ADAEMN Cc1ncoc1CN1[C@@H](C)C[C@@H]1C 894600212 582516916 /nfs/dbraw/zinc/51/69/16/582516916.db2.gz GCGSGKXBIRDCAX-YUMQZZPRSA-N 0 1 180.251 1.966 10 0 ADAEMN Cc1[nH]nc(CNCCF)c1C 894650300 582516983 /nfs/dbraw/zinc/51/69/83/582516983.db2.gz SVFCJRWLPBBJNO-UHFFFAOYSA-N 0 1 171.219 1.086 10 0 ADAEMN Cc1ncoc1CN1[C@@H](C)C[C@H]1C 894600211 582517125 /nfs/dbraw/zinc/51/71/25/582517125.db2.gz GCGSGKXBIRDCAX-OCAPTIKFSA-N 0 1 180.251 1.966 10 0 ADAEMN Cc1ncoc1CN1CC(C)C1 894609277 582517252 /nfs/dbraw/zinc/51/72/52/582517252.db2.gz PKHLQQWGJMVTQO-UHFFFAOYSA-N 0 1 166.224 1.435 10 0 ADAEMN Cc1n[nH]c(CN2CC(C)C2)c1C 894608495 582517327 /nfs/dbraw/zinc/51/73/27/582517327.db2.gz JOUNOTUWXYRTHT-UHFFFAOYSA-N 0 1 179.267 1.478 10 0 ADAEMN Cc1[nH]nc(CN2CC(C)C2)c1C 894608495 582517329 /nfs/dbraw/zinc/51/73/29/582517329.db2.gz JOUNOTUWXYRTHT-UHFFFAOYSA-N 0 1 179.267 1.478 10 0 ADAEMN FC[C@@H]1CCCN(Cc2cc[nH]n2)C1 880238946 582517635 /nfs/dbraw/zinc/51/76/35/582517635.db2.gz ZZWHXWDAYISBBB-VIFPVBQESA-N 0 1 197.257 1.591 10 0 ADAEMN Cc1nc([C@@H](C)NCC2(F)CC2)n[nH]1 894774507 582517640 /nfs/dbraw/zinc/51/76/40/582517640.db2.gz TYVZULFEARPDMY-ZCFIWIBFSA-N 0 1 198.245 1.266 10 0 ADAEMN Cc1nc([C@H](C)NCC2(F)CC2)n[nH]1 894774505 582517692 /nfs/dbraw/zinc/51/76/92/582517692.db2.gz TYVZULFEARPDMY-LURJTMIESA-N 0 1 198.245 1.266 10 0 ADAEMN Cc1coc(CN(C)[C@H](C)CO)c1 894770151 582517715 /nfs/dbraw/zinc/51/77/15/582517715.db2.gz LWBZAPGHGMJCEC-SECBINFHSA-N 0 1 183.251 1.401 10 0 ADAEMN FC[C@H]1CCCN(Cc2cc[nH]n2)C1 880238945 582517933 /nfs/dbraw/zinc/51/79/33/582517933.db2.gz ZZWHXWDAYISBBB-SECBINFHSA-N 0 1 197.257 1.591 10 0 ADAEMN Cc1coc(CN(C)[C@@H](C)CO)c1 894770393 582517957 /nfs/dbraw/zinc/51/79/57/582517957.db2.gz LWBZAPGHGMJCEC-VIFPVBQESA-N 0 1 183.251 1.401 10 0 ADAEMN Cc1ncoc1CN1CC(C2CC2)C1 894812038 582518567 /nfs/dbraw/zinc/51/85/67/582518567.db2.gz BRQVAMGQAZUNSZ-UHFFFAOYSA-N 0 1 192.262 1.825 10 0 ADAEMN Cc1ccc(CN2C[C@H](C)[C@H]2C)nn1 894860742 582518882 /nfs/dbraw/zinc/51/88/82/582518882.db2.gz ZGQLAWKHGMKQOJ-WCBMZHEXSA-N 0 1 191.278 1.625 10 0 ADAEMN Cc1ccc(CN2C[C@@H](C)[C@H]2C)nn1 894860740 582518909 /nfs/dbraw/zinc/51/89/09/582518909.db2.gz ZGQLAWKHGMKQOJ-PSASIEDQSA-N 0 1 191.278 1.625 10 0 ADAEMN C[C@H]1CN(Cc2cnccn2)[C@H]1C 894860710 582518916 /nfs/dbraw/zinc/51/89/16/582518916.db2.gz XOGJRPPKLKAORA-IUCAKERBSA-N 0 1 177.251 1.317 10 0 ADAEMN Cc1ccnc(N)c1CN[C@@H](C)CF 894855861 582518938 /nfs/dbraw/zinc/51/89/38/582518938.db2.gz URDKSZCKVNHSAY-QMMMGPOBSA-N 0 1 197.257 1.420 10 0 ADAEMN C[C@H]1[C@H](C)CN1Cc1cnccn1 894860708 582518952 /nfs/dbraw/zinc/51/89/52/582518952.db2.gz XOGJRPPKLKAORA-BDAKNGLRSA-N 0 1 177.251 1.317 10 0 ADAEMN COC[C@H]1CCN1Cc1cc(C)co1 894858199 582518985 /nfs/dbraw/zinc/51/89/85/582518985.db2.gz XEJJJXWXLTYBID-SNVBAGLBSA-N 0 1 195.262 1.809 10 0 ADAEMN C[C@H]1CN(Cc2cnccn2)[C@@H]1C 894860709 582519242 /nfs/dbraw/zinc/51/92/42/582519242.db2.gz XOGJRPPKLKAORA-DTWKUNHWSA-N 0 1 177.251 1.317 10 0 ADAEMN C[C@@H]1CN(Cc2cnccn2)[C@@H]1C 894860711 582519353 /nfs/dbraw/zinc/51/93/53/582519353.db2.gz XOGJRPPKLKAORA-RKDXNWHRSA-N 0 1 177.251 1.317 10 0 ADAEMN Cc1ccc(CN2C[C@@H](C)[C@@H]2C)nn1 894860741 582519361 /nfs/dbraw/zinc/51/93/61/582519361.db2.gz ZGQLAWKHGMKQOJ-SCZZXKLOSA-N 0 1 191.278 1.625 10 0 ADAEMN COC[C@@H]1CCN1Cc1cc(C)co1 894858198 582519377 /nfs/dbraw/zinc/51/93/77/582519377.db2.gz XEJJJXWXLTYBID-JTQLQIEISA-N 0 1 195.262 1.809 10 0 ADAEMN Cc1ccc(CN2C[C@H](C)[C@@H]2C)nn1 894860743 582519397 /nfs/dbraw/zinc/51/93/97/582519397.db2.gz ZGQLAWKHGMKQOJ-WPRPVWTQSA-N 0 1 191.278 1.625 10 0 ADAEMN Cc1n[nH]c(CN2C[C@@H](C)[C@@H]2C)c1C 894862463 582519479 /nfs/dbraw/zinc/51/94/79/582519479.db2.gz YXSKDBORILDPCS-XCBNKYQSSA-N 0 1 193.294 1.867 10 0 ADAEMN Cc1ncc(CN2C[C@@H](C)[C@@H]2C)n1C 894861347 582519976 /nfs/dbraw/zinc/51/99/76/582519976.db2.gz FVAOSJMZQQNMGY-BDAKNGLRSA-N 0 1 193.294 1.569 10 0 ADAEMN Cc1ncc(CN2C[C@H](C)[C@@H]2C)n1C 894861349 582519544 /nfs/dbraw/zinc/51/95/44/582519544.db2.gz FVAOSJMZQQNMGY-IUCAKERBSA-N 0 1 193.294 1.569 10 0 ADAEMN Cc1ncc(CN2C[C@H](C)[C@H]2C)o1 894862242 582519557 /nfs/dbraw/zinc/51/95/57/582519557.db2.gz VMRYKXJHYSXCTL-JGVFFNPUSA-N 0 1 180.251 1.823 10 0 ADAEMN CCn1cncc1CN1C[C@H](C)[C@@H]1C 894861454 582519609 /nfs/dbraw/zinc/51/96/09/582519609.db2.gz HLKFIJLHTLCVGY-UWVGGRQHSA-N 0 1 193.294 1.743 10 0 ADAEMN Cc1ncc(CN2C[C@H](C)[C@@H]2C)o1 894862244 582519637 /nfs/dbraw/zinc/51/96/37/582519637.db2.gz VMRYKXJHYSXCTL-YUMQZZPRSA-N 0 1 180.251 1.823 10 0 ADAEMN Cc1n[nH]c(CN2C[C@H](C)[C@H]2C)c1C 894862462 582519649 /nfs/dbraw/zinc/51/96/49/582519649.db2.gz YXSKDBORILDPCS-OIBJUYFYSA-N 0 1 193.294 1.867 10 0 ADAEMN CCn1cncc1CN1C[C@H](C)[C@H]1C 894861455 582519704 /nfs/dbraw/zinc/51/97/04/582519704.db2.gz HLKFIJLHTLCVGY-VHSXEESVSA-N 0 1 193.294 1.743 10 0 ADAEMN Cc1ncc(CN2C[C@@H](C)[C@@H]2C)o1 894862243 582519785 /nfs/dbraw/zinc/51/97/85/582519785.db2.gz VMRYKXJHYSXCTL-SFYZADRCSA-N 0 1 180.251 1.823 10 0 ADAEMN Cc1n[nH]c(CN2C[C@H](C)[C@@H]2C)c1C 894862464 582519809 /nfs/dbraw/zinc/51/98/09/582519809.db2.gz YXSKDBORILDPCS-XVKPBYJWSA-N 0 1 193.294 1.867 10 0 ADAEMN Cc1ncoc1C[N@@H+]1C[C@H](C)[C@@H]1C 894861140 582519860 /nfs/dbraw/zinc/51/98/60/582519860.db2.gz ACWUIRDMDJBHKQ-CBAPKCEASA-N 0 1 180.251 1.823 10 0 ADAEMN Cc1ncoc1CN1C[C@H](C)[C@@H]1C 894861140 582519862 /nfs/dbraw/zinc/51/98/62/582519862.db2.gz ACWUIRDMDJBHKQ-CBAPKCEASA-N 0 1 180.251 1.823 10 0 ADAEMN Cc1ncc(CN2C[C@@H](C)[C@H]2C)n1C 894861350 582519882 /nfs/dbraw/zinc/51/98/82/582519882.db2.gz FVAOSJMZQQNMGY-RKDXNWHRSA-N 0 1 193.294 1.569 10 0 ADAEMN CCn1cncc1CN1C[C@@H](C)[C@@H]1C 894861456 582519916 /nfs/dbraw/zinc/51/99/16/582519916.db2.gz HLKFIJLHTLCVGY-ZJUUUORDSA-N 0 1 193.294 1.743 10 0 ADAEMN Cc1n[nH]c(CN2C[C@@H](C)[C@H]2C)c1C 894862461 582519940 /nfs/dbraw/zinc/51/99/40/582519940.db2.gz YXSKDBORILDPCS-GMSGAONNSA-N 0 1 193.294 1.867 10 0 ADAEMN Cc1ncoc1C[N@@H+]1C[C@@H](C)[C@H]1C 894861145 582519965 /nfs/dbraw/zinc/51/99/65/582519965.db2.gz ACWUIRDMDJBHKQ-VXNVDRBHSA-N 0 1 180.251 1.823 10 0 ADAEMN Cc1ncoc1CN1C[C@@H](C)[C@H]1C 894861145 582519966 /nfs/dbraw/zinc/51/99/66/582519966.db2.gz ACWUIRDMDJBHKQ-VXNVDRBHSA-N 0 1 180.251 1.823 10 0 ADAEMN Cc1ncoc1C[N@@H+]1C[C@@H](C)[C@@H]1C 894861137 582519972 /nfs/dbraw/zinc/51/99/72/582519972.db2.gz ACWUIRDMDJBHKQ-APPZFPTMSA-N 0 1 180.251 1.823 10 0 ADAEMN Cc1ncoc1CN1C[C@@H](C)[C@@H]1C 894861137 582519973 /nfs/dbraw/zinc/51/99/73/582519973.db2.gz ACWUIRDMDJBHKQ-APPZFPTMSA-N 0 1 180.251 1.823 10 0 ADAEMN Cc1ncc(CN2C[C@H](C)[C@H]2C)n1C 894861348 582519993 /nfs/dbraw/zinc/51/99/93/582519993.db2.gz FVAOSJMZQQNMGY-DTWKUNHWSA-N 0 1 193.294 1.569 10 0 ADAEMN Cc1ncc(CN2C[C@@H](C)[C@H]2C)o1 894862241 582520019 /nfs/dbraw/zinc/52/00/19/582520019.db2.gz VMRYKXJHYSXCTL-HTQZYQBOSA-N 0 1 180.251 1.823 10 0 ADAEMN CCn1cncc1CN1C[C@@H](C)[C@H]1C 894861453 582520076 /nfs/dbraw/zinc/52/00/76/582520076.db2.gz HLKFIJLHTLCVGY-NXEZZACHSA-N 0 1 193.294 1.743 10 0 ADAEMN Cc1ncoc1C[N@@H+]1C[C@H](C)[C@H]1C 894861143 582520086 /nfs/dbraw/zinc/52/00/86/582520086.db2.gz ACWUIRDMDJBHKQ-IONNQARKSA-N 0 1 180.251 1.823 10 0 ADAEMN Cc1ncoc1CN1C[C@H](C)[C@H]1C 894861143 582520088 /nfs/dbraw/zinc/52/00/88/582520088.db2.gz ACWUIRDMDJBHKQ-IONNQARKSA-N 0 1 180.251 1.823 10 0 ADAEMN Cc1[nH]nc(CN2CC[C@@H](F)C2)c1C 894874861 582520281 /nfs/dbraw/zinc/52/02/81/582520281.db2.gz SBIPFLCIPCHMGK-SECBINFHSA-N 0 1 197.257 1.570 10 0 ADAEMN Cc1[nH]nc(CN2CC[C@H](F)C2)c1C 894874862 582520425 /nfs/dbraw/zinc/52/04/25/582520425.db2.gz SBIPFLCIPCHMGK-VIFPVBQESA-N 0 1 197.257 1.570 10 0 ADAEMN c1nc(CN2CC[C@@H]2C2CC2)c[nH]1 894883418 582521452 /nfs/dbraw/zinc/52/14/52/582521452.db2.gz WHERVDQLBNRKRN-SNVBAGLBSA-N 0 1 177.251 1.394 10 0 ADAEMN c1nc(CN2CC[C@H]2C2CC2)c[nH]1 894883416 582521526 /nfs/dbraw/zinc/52/15/26/582521526.db2.gz WHERVDQLBNRKRN-JTQLQIEISA-N 0 1 177.251 1.394 10 0 ADAEMN CCC1CN(Cc2[nH]nc(C)c2C)C1 894968524 582522117 /nfs/dbraw/zinc/52/21/17/582522117.db2.gz AMNDGCYGEWCFMN-UHFFFAOYSA-N 0 1 193.294 1.868 10 0 ADAEMN FC1CC2(C1)CN(Cc1cnc[nH]1)C2 894975981 582522166 /nfs/dbraw/zinc/52/21/66/582522166.db2.gz FNDISPMOVDEVQE-UHFFFAOYSA-N 0 1 195.241 1.344 10 0 ADAEMN CC(C)(C)C1CN(Cc2c[nH]cn2)C1 894980666 582522192 /nfs/dbraw/zinc/52/21/92/582522192.db2.gz VTCZYYIXONHIMX-UHFFFAOYSA-N 0 1 193.294 1.888 10 0 ADAEMN CCC1CN(Cc2ocnc2C)C1 894969102 582522413 /nfs/dbraw/zinc/52/24/13/582522413.db2.gz HFUYPLFXVYRFSU-UHFFFAOYSA-N 0 1 180.251 1.825 10 0 ADAEMN CC1=NO[C@@H](CNCC2(F)CC2)C1 895305469 582526568 /nfs/dbraw/zinc/52/65/68/582526568.db2.gz XHXAYCXBIXEJMO-MRVPVSSYSA-N 0 1 186.230 1.243 10 0 ADAEMN Cc1ccc(-c2nc[nH]n2)c(F)c1 142037089 582524359 /nfs/dbraw/zinc/52/43/59/582524359.db2.gz WLIDWQQBBCGJLM-UHFFFAOYSA-N 0 1 177.182 1.919 10 0 ADAEMN CC1=NO[C@H](CNCC2(F)CC2)C1 895305482 582526585 /nfs/dbraw/zinc/52/65/85/582526585.db2.gz XHXAYCXBIXEJMO-QMMMGPOBSA-N 0 1 186.230 1.243 10 0 ADAEMN CC1=NO[C@@H](CNCc2ccoc2)C1 895309908 582526429 /nfs/dbraw/zinc/52/64/29/582526429.db2.gz XBJHYKZVGDIBCF-SNVBAGLBSA-N 0 1 194.234 1.534 10 0 ADAEMN CC1=NO[C@H](CNCc2ccoc2)C1 895309907 582526560 /nfs/dbraw/zinc/52/65/60/582526560.db2.gz XBJHYKZVGDIBCF-JTQLQIEISA-N 0 1 194.234 1.534 10 0 ADAEMN Cc1nnc(CN2CCCC2(C)C)[nH]1 335893922 582526945 /nfs/dbraw/zinc/52/69/45/582526945.db2.gz UTWAKZPQTHSKHN-UHFFFAOYSA-N 0 1 194.282 1.488 10 0 ADAEMN Cc1coc(CNC2([C@@H](C)O)CC2)c1 895332555 582527082 /nfs/dbraw/zinc/52/70/82/582527082.db2.gz MDWBIBZBEYVDNZ-SECBINFHSA-N 0 1 195.262 1.591 10 0 ADAEMN Cc1coc(CNC2([C@H](C)O)CC2)c1 895332556 582527241 /nfs/dbraw/zinc/52/72/41/582527241.db2.gz MDWBIBZBEYVDNZ-VIFPVBQESA-N 0 1 195.262 1.591 10 0 ADAEMN FC(F)[C@@H]1CCN1Cc1cnc[nH]1 895431321 582527701 /nfs/dbraw/zinc/52/77/01/582527701.db2.gz KYEYGBSDYBVNQP-ZETCQYMHSA-N 0 1 187.193 1.249 10 0 ADAEMN C/C=C\CNCc1ocnc1C 895405526 582527708 /nfs/dbraw/zinc/52/77/08/582527708.db2.gz KIRAVLBCZISNPL-ARJAWSKDSA-N 0 1 166.224 1.649 10 0 ADAEMN CCCC(O)=C(F)C(=O)OCC 147605605 582527729 /nfs/dbraw/zinc/52/77/29/582527729.db2.gz LNOHNNJHHLKCNM-SSDOTTSWSA-N 0 1 176.187 1.257 10 0 ADAEMN Cc1coc(CN(C)C2(CO)CC2)c1 895353845 582527806 /nfs/dbraw/zinc/52/78/06/582527806.db2.gz KIIDHOHELAHOAQ-UHFFFAOYSA-N 0 1 195.262 1.545 10 0 ADAEMN FC(F)[C@H]1CCN1Cc1cnc[nH]1 895431320 582527982 /nfs/dbraw/zinc/52/79/82/582527982.db2.gz KYEYGBSDYBVNQP-SSDOTTSWSA-N 0 1 187.193 1.249 10 0 ADAEMN CC(C)(F)CNCc1cnc[nH]1 895415057 582528144 /nfs/dbraw/zinc/52/81/44/582528144.db2.gz JRBWCTRPQDUTFA-UHFFFAOYSA-N 0 1 171.219 1.247 10 0 ADAEMN C/C=C/CNCc1ocnc1C 895405527 582528219 /nfs/dbraw/zinc/52/82/19/582528219.db2.gz KIRAVLBCZISNPL-ONEGZZNKSA-N 0 1 166.224 1.649 10 0 ADAEMN CCCC(O)=C(F)C(=O)OCC 147605743 582528274 /nfs/dbraw/zinc/52/82/74/582528274.db2.gz LNOHNNJHHLKCNM-ZETCQYMHSA-N 0 1 176.187 1.257 10 0 ADAEMN F[C@@H]1CCCC[C@@H]1NCc1c[nH]cn1 895441061 582528596 /nfs/dbraw/zinc/52/85/96/582528596.db2.gz XUNRJBVLTHBVAY-ZJUUUORDSA-N 0 1 197.257 1.780 10 0 ADAEMN F[C@@H]1CCCC[C@@H]1NCc1cnc[nH]1 895441061 582528599 /nfs/dbraw/zinc/52/85/99/582528599.db2.gz XUNRJBVLTHBVAY-ZJUUUORDSA-N 0 1 197.257 1.780 10 0 ADAEMN FC[C@@H]1CCN(Cc2cncnc2)C1 895574936 582528921 /nfs/dbraw/zinc/52/89/21/582528921.db2.gz QPPPOCKWCOGDGM-VIFPVBQESA-N 0 1 195.241 1.268 10 0 ADAEMN FC[C@H]1CCN(Cc2cncnc2)C1 895574934 582528934 /nfs/dbraw/zinc/52/89/34/582528934.db2.gz QPPPOCKWCOGDGM-SECBINFHSA-N 0 1 195.241 1.268 10 0 ADAEMN Cc1ncoc1CN1CCC(F)CC1 895545850 582528955 /nfs/dbraw/zinc/52/89/55/582528955.db2.gz IBLHEJCVMGJKOB-UHFFFAOYSA-N 0 1 198.241 1.917 10 0 ADAEMN Cc1coc(CN2C[C@H]3C[C@@]3(O)C2)c1 895644899 582529515 /nfs/dbraw/zinc/52/95/15/582529515.db2.gz HVBKAQYPFDWLJK-MWLCHTKSSA-N 0 1 193.246 1.155 10 0 ADAEMN Cc1coc(CN2C[C@@H]3C[C@]3(O)C2)c1 895644900 582529535 /nfs/dbraw/zinc/52/95/35/582529535.db2.gz HVBKAQYPFDWLJK-ONGXEEELSA-N 0 1 193.246 1.155 10 0 ADAEMN C[C@H](NCCC[C@@H]1CCO1)C(F)F 895723801 582529740 /nfs/dbraw/zinc/52/97/40/582529740.db2.gz AQBNMIMLHUJULI-JGVFFNPUSA-N 0 1 193.237 1.799 10 0 ADAEMN C[C@@H](NCCC[C@H]1CCO1)C(F)F 895723803 582529975 /nfs/dbraw/zinc/52/99/75/582529975.db2.gz AQBNMIMLHUJULI-SFYZADRCSA-N 0 1 193.237 1.799 10 0 ADAEMN C[C@@H](NCCC[C@@H]1CCO1)C(F)F 895723799 582530008 /nfs/dbraw/zinc/53/00/08/582530008.db2.gz AQBNMIMLHUJULI-HTQZYQBOSA-N 0 1 193.237 1.799 10 0 ADAEMN C[C@H](NCCC[C@H]1CCO1)C(F)F 895723805 582530500 /nfs/dbraw/zinc/53/05/00/582530500.db2.gz AQBNMIMLHUJULI-YUMQZZPRSA-N 0 1 193.237 1.799 10 0 ADAEMN Cc1ncc(CN(C)CCCF)o1 895896665 582531442 /nfs/dbraw/zinc/53/14/42/582531442.db2.gz YKQOFLXTILBBKQ-UHFFFAOYSA-N 0 1 186.230 1.774 10 0 ADAEMN C[C@H]1CCN(Cc2ccco2)CCO1 896583486 582533956 /nfs/dbraw/zinc/53/39/56/582533956.db2.gz CKGATYBLMLWKFK-JTQLQIEISA-N 0 1 195.262 1.890 10 0 ADAEMN C[C@H]1CCN(CC2(F)CC2)CCO1 896585628 582534020 /nfs/dbraw/zinc/53/40/20/582534020.db2.gz TWORZUQLFOQKKE-VIFPVBQESA-N 0 1 187.258 1.599 10 0 ADAEMN C[C@@H]1CCN(Cc2ccco2)CCO1 896583487 582534181 /nfs/dbraw/zinc/53/41/81/582534181.db2.gz CKGATYBLMLWKFK-SNVBAGLBSA-N 0 1 195.262 1.890 10 0 ADAEMN C[C@H]1CCN(Cc2ccoc2)CCO1 896584302 582534186 /nfs/dbraw/zinc/53/41/86/582534186.db2.gz MHSACQXGHQRGTF-JTQLQIEISA-N 0 1 195.262 1.890 10 0 ADAEMN C[C@@H]1CCN(Cc2ccoc2)CCO1 896584303 582534256 /nfs/dbraw/zinc/53/42/56/582534256.db2.gz MHSACQXGHQRGTF-SNVBAGLBSA-N 0 1 195.262 1.890 10 0 ADAEMN C[C@@H]1CCN(CC2(F)CC2)CCO1 896585626 582534301 /nfs/dbraw/zinc/53/43/01/582534301.db2.gz TWORZUQLFOQKKE-SECBINFHSA-N 0 1 187.258 1.599 10 0 ADAEMN Fc1cc(CN2CCCC2)ccn1 114883379 582534671 /nfs/dbraw/zinc/53/46/71/582534671.db2.gz BJFTUYIORFSALA-UHFFFAOYSA-N 0 1 180.226 1.817 10 0 ADAEMN CCO[C@H]1CC[N@@H+](CC2(F)CC2)C1 897066922 582538148 /nfs/dbraw/zinc/53/81/48/582538148.db2.gz CDBBMHIYZFPXKN-VIFPVBQESA-N 0 1 187.258 1.599 10 0 ADAEMN CCO[C@H]1CC[N@@H+](Cc2ccoc2)C1 897069473 582538205 /nfs/dbraw/zinc/53/82/05/582538205.db2.gz UWJRKXSVZJQHJX-NSHDSACASA-N 0 1 195.262 1.890 10 0 ADAEMN CCOC(=O)/C=C1/CN2CCC1CC2 144290257 582540556 /nfs/dbraw/zinc/54/05/56/582540556.db2.gz IIDRGVVRSUVXPH-YFHOEESVSA-N 0 1 195.262 1.202 10 0 ADAEMN CC(=O)CCN1CCC(F)(F)CC1 203207373 582545494 /nfs/dbraw/zinc/54/54/94/582545494.db2.gz IYTYQVMJCFNVFM-UHFFFAOYSA-N 0 1 191.221 1.697 10 0 ADAEMN c1cc(CN[C@@H]2C[C@@H]3CCC[C@@H]32)no1 897959450 582550362 /nfs/dbraw/zinc/55/03/62/582550362.db2.gz SWNXTUQKUVLEOS-INTQDDNPSA-N 0 1 192.262 1.953 10 0 ADAEMN c1cc(CN[C@@H]2C[C@H]3CCC[C@@H]32)no1 897959448 582550369 /nfs/dbraw/zinc/55/03/69/582550369.db2.gz SWNXTUQKUVLEOS-DVVUODLYSA-N 0 1 192.262 1.953 10 0 ADAEMN c1nc(CN[C@@H]2C[C@H]3CCC[C@@H]32)co1 897955341 582550403 /nfs/dbraw/zinc/55/04/03/582550403.db2.gz SLYHJCAANOHKPA-DVVUODLYSA-N 0 1 192.262 1.953 10 0 ADAEMN c1nc(CN[C@@H]2C[C@H]3CCC[C@H]32)co1 897955342 582550431 /nfs/dbraw/zinc/55/04/31/582550431.db2.gz SLYHJCAANOHKPA-FBIMIBRVSA-N 0 1 192.262 1.953 10 0 ADAEMN c1nc(CN[C@@H]2C[C@@H]3CCC[C@@H]32)co1 897955343 582550472 /nfs/dbraw/zinc/55/04/72/582550472.db2.gz SLYHJCAANOHKPA-INTQDDNPSA-N 0 1 192.262 1.953 10 0 ADAEMN c1cc(CN[C@@H]2C[C@@H]3CCC[C@H]32)no1 897959451 582550500 /nfs/dbraw/zinc/55/05/00/582550500.db2.gz SWNXTUQKUVLEOS-JMJZKYOTSA-N 0 1 192.262 1.953 10 0 ADAEMN c1cc(CN[C@@H]2C[C@H]3CCC[C@H]32)no1 897959449 582550525 /nfs/dbraw/zinc/55/05/25/582550525.db2.gz SWNXTUQKUVLEOS-FBIMIBRVSA-N 0 1 192.262 1.953 10 0 ADAEMN c1nc(CN[C@@H]2C[C@@H]3CCC[C@H]32)co1 897955344 582550646 /nfs/dbraw/zinc/55/06/46/582550646.db2.gz SLYHJCAANOHKPA-JMJZKYOTSA-N 0 1 192.262 1.953 10 0 ADAEMN c1c([C@@H]2CCCCN2)nnn1C1CC1 899714322 582563850 /nfs/dbraw/zinc/56/38/50/582563850.db2.gz SSDHCNPBYOEOKM-VIFPVBQESA-N 0 1 192.266 1.428 10 0 ADAEMN CCCn1[nH]c(CC2CC2)cc1=O 899347676 582560673 /nfs/dbraw/zinc/56/06/73/582560673.db2.gz BCBREEFHWLCAJW-UHFFFAOYSA-N 0 1 180.251 1.785 10 0 ADAEMN C1=C(c2cnn3c2CNCC3)CCC1 899319589 582560725 /nfs/dbraw/zinc/56/07/25/582560725.db2.gz LTAAAMWIHCZBBI-UHFFFAOYSA-N 0 1 189.262 1.554 10 0 ADAEMN CN(C)CC(=O)NC1CCC=CCC1 899804617 582563478 /nfs/dbraw/zinc/56/34/78/582563478.db2.gz SAIUEWBLWYDZMY-UHFFFAOYSA-N 0 1 196.294 1.163 10 0 ADAEMN FCCn1cc([C@@H]2CCCCN2)nn1 899710648 582563567 /nfs/dbraw/zinc/56/35/67/582563567.db2.gz GFOMHKXLOXBPCG-QMMMGPOBSA-N 0 1 198.245 1.062 10 0 ADAEMN FCCn1cc([C@H]2CCCCN2)nn1 899710647 582563695 /nfs/dbraw/zinc/56/36/95/582563695.db2.gz GFOMHKXLOXBPCG-MRVPVSSYSA-N 0 1 198.245 1.062 10 0 ADAEMN c1c([C@H]2CCCCN2)nnn1C1CC1 899714321 582563817 /nfs/dbraw/zinc/56/38/17/582563817.db2.gz SSDHCNPBYOEOKM-SECBINFHSA-N 0 1 192.266 1.428 10 0 ADAEMN C[C@H](NC(=O)c1[nH]ncc1F)C1CC1 899982284 582567628 /nfs/dbraw/zinc/56/76/28/582567628.db2.gz IJNOCFQXFUHURM-YFKPBYRVSA-N 0 1 197.213 1.077 10 0 ADAEMN CCC(C)(C)NC(=O)c1[nH]ncc1F 900092432 582569738 /nfs/dbraw/zinc/56/97/38/582569738.db2.gz JNHFXTWSNFLIKC-UHFFFAOYSA-N 0 1 199.229 1.467 10 0 ADAEMN O=C(NCC1CCC1)c1[nH]ncc1F 900178029 582571380 /nfs/dbraw/zinc/57/13/80/582571380.db2.gz ZPPVHBSVKHSFSH-UHFFFAOYSA-N 0 1 197.213 1.079 10 0 ADAEMN CC1(CNC(=O)c2[nH]ncc2F)CC1 900943726 582578151 /nfs/dbraw/zinc/57/81/51/582578151.db2.gz UGYJDQVCWPPDNR-UHFFFAOYSA-N 0 1 197.213 1.079 10 0 ADAEMN CCC[N@@H+](CC(=O)[O-])CC1(F)CC1 901605919 582588094 /nfs/dbraw/zinc/58/80/94/582588094.db2.gz WYYIHSYHQAUSLV-UHFFFAOYSA-N 0 1 189.230 1.285 10 0 ADAEMN CN(CN1CCOC1=O)C1CCCC1 902040764 582593127 /nfs/dbraw/zinc/59/31/27/582593127.db2.gz BWYYMYJZOGZYHC-UHFFFAOYSA-N 0 1 198.266 1.271 10 0 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0 1 194.234 1.380 10 0 ADAEMN Cc1nc([C@H](C)N2CC[C@@H]3C[C@@H]32)n[nH]1 839533096 582794046 /nfs/dbraw/zinc/79/40/46/582794046.db2.gz OXEXTPLLVMGLGE-ZQARSLAVSA-N 0 1 192.266 1.268 10 0 ADAEMN Cc1nc([C@H](C)N2CC[C@H]3C[C@H]32)n[nH]1 839533093 582794090 /nfs/dbraw/zinc/79/40/90/582794090.db2.gz OXEXTPLLVMGLGE-CNUIFLNQSA-N 0 1 192.266 1.268 10 0 ADAEMN N[C@H](CF)c1ccc(F)c(O)c1 757135579 582794783 /nfs/dbraw/zinc/79/47/83/582794783.db2.gz WBYHHCGVSLOPOE-SSDOTTSWSA-N 0 1 173.162 1.501 10 0 ADAEMN Cn1ncc2c1CCCN(CCF)C2 839623947 582795385 /nfs/dbraw/zinc/79/53/85/582795385.db2.gz CCYOOOXIARWIMM-UHFFFAOYSA-N 0 1 197.257 1.138 10 0 ADAEMN FCCN1CCC[C@@H](n2ccnc2)C1 759336838 582801776 /nfs/dbraw/zinc/80/17/76/582801776.db2.gz DPXBINIQDVUOOP-SNVBAGLBSA-N 0 1 197.257 1.490 10 0 ADAEMN FCCN1CCC[C@@H](c2cc[nH]n2)C1 759326601 582802016 /nfs/dbraw/zinc/80/20/16/582802016.db2.gz GYPAMQISWLFSSR-SECBINFHSA-N 0 1 197.257 1.559 10 0 ADAEMN FCCN1CCC[C@H](c2cc[nH]n2)C1 759326683 582802055 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1 193.254 1.334 10 0 ADAEMN CC(=O)CCN1CCOC2(CCC2)C1 766270994 582827472 /nfs/dbraw/zinc/82/74/72/582827472.db2.gz ZUGNCLWRCKWJPW-UHFFFAOYSA-N 0 1 197.278 1.220 10 0 ADAEMN C/C=C/C(=O)N1CCN(C)CC1(C)C 766621744 582828126 /nfs/dbraw/zinc/82/81/26/582828126.db2.gz ARMBDLSFGUXQCR-AATRIKPKSA-N 0 1 196.294 1.115 10 0 ADAEMN C/C=C\C(=O)N1CCN(C)CC1(C)C 766621745 582828321 /nfs/dbraw/zinc/82/83/21/582828321.db2.gz ARMBDLSFGUXQCR-WAYWQWQTSA-N 0 1 196.294 1.115 10 0 ADAEMN C[C@H](c1cnccn1)N1CC[C@@H]2C[C@@H]21 767333359 582830491 /nfs/dbraw/zinc/83/04/91/582830491.db2.gz SMSVIUZHAHIUQB-KKZNHRDASA-N 0 1 189.262 1.632 10 0 ADAEMN C[C@H](c1cnccn1)N1CC[C@H]2C[C@H]21 767333360 582831012 /nfs/dbraw/zinc/83/10/12/582831012.db2.gz SMSVIUZHAHIUQB-WCABBAIRSA-N 0 1 189.262 1.632 10 0 ADAEMN COCCN(Cc1ccoc1)C1CC1 768333532 582834769 /nfs/dbraw/zinc/83/47/69/582834769.db2.gz CSTCSTVRAKQIJX-UHFFFAOYSA-N 0 1 195.262 1.890 10 0 ADAEMN CO[C@@H]1CCCN(Cc2ccoc2)C1 768753036 582835674 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195.262 1.748 10 0 ADAEMN Cc1nc(COC(=O)C(C)(C)C)n[nH]1 770641218 582842319 /nfs/dbraw/zinc/84/23/19/582842319.db2.gz TXIXOZFSMROONO-UHFFFAOYSA-N 0 1 197.238 1.202 10 0 ADAEMN CC(C)C(N)=NOCc1ccnn1C 774777471 582860023 /nfs/dbraw/zinc/86/00/23/582860023.db2.gz MSQXYDQNFZCQRL-UHFFFAOYSA-N 0 1 196.254 1.075 10 0 ADAEMN CC(C)C(N)=NOCc1ccn(C)n1 774778291 582860057 /nfs/dbraw/zinc/86/00/57/582860057.db2.gz UJBZUBOYTTUXAW-UHFFFAOYSA-N 0 1 196.254 1.075 10 0 ADAEMN C=Cn1cc(CN2CCC2(C)C)cn1 774886003 582861784 /nfs/dbraw/zinc/86/17/84/582861784.db2.gz UQWIQTDZBVQWKB-UHFFFAOYSA-N 0 1 191.278 1.968 10 0 ADAEMN CCC/C=C\C(=O)N1CC(N(C)C)C1 775551793 582863266 /nfs/dbraw/zinc/86/32/66/582863266.db2.gz HROOCJDWSJWRNC-SREVYHEPSA-N 0 1 196.294 1.115 10 0 ADAEMN CCC/C=C/C(=O)N1CC(N(C)C)C1 775551795 582863652 /nfs/dbraw/zinc/86/36/52/582863652.db2.gz HROOCJDWSJWRNC-VOTSOKGWSA-N 0 1 196.294 1.115 10 0 ADAEMN FCCCN1CCC[C@H]1c1ncc[nH]1 778228001 582868571 /nfs/dbraw/zinc/86/85/71/582868571.db2.gz FGPLCKQNKFLQCB-VIFPVBQESA-N 0 1 197.257 1.906 10 0 ADAEMN FCCCN1CCC[C@@H]1c1ncc[nH]1 778227928 582868619 /nfs/dbraw/zinc/86/86/19/582868619.db2.gz FGPLCKQNKFLQCB-SECBINFHSA-N 0 1 197.257 1.906 10 0 ADAEMN CCCOC(=O)C(C)(C)N1CCCC1 805615369 582872350 /nfs/dbraw/zinc/87/23/50/582872350.db2.gz BHVGBGDZVPVGEQ-UHFFFAOYSA-N 0 1 199.294 1.814 10 0 ADAEMN CC(=O)CCN1C[C@H](C)O[C@@H](C)[C@@H]1C 782628535 582885270 /nfs/dbraw/zinc/88/52/70/582885270.db2.gz ORUWKZCFELMKDU-DCAQKATOSA-N 0 1 199.294 1.463 10 0 ADAEMN CC(=O)CCN1C[C@H](C)O[C@H](C)[C@H]1C 782628537 582885521 /nfs/dbraw/zinc/88/55/21/582885521.db2.gz ORUWKZCFELMKDU-HBNTYKKESA-N 0 1 199.294 1.463 10 0 ADAEMN CC(=O)CCN1C[C@H](C)O[C@H](C)[C@@H]1C 782628536 582885562 /nfs/dbraw/zinc/88/55/62/582885562.db2.gz ORUWKZCFELMKDU-GARJFASQSA-N 0 1 199.294 1.463 10 0 ADAEMN CC(=O)CCN1C[C@H](C)O[C@@H](C)[C@H]1C 782628534 582885909 /nfs/dbraw/zinc/88/59/09/582885909.db2.gz ORUWKZCFELMKDU-AXFHLTTASA-N 0 1 199.294 1.463 10 0 ADAEMN CC[C@@H](C(=O)OC1CC1)N(CC)CC 783188335 582886339 /nfs/dbraw/zinc/88/63/39/582886339.db2.gz KBDKIQOXQQPHKO-JTQLQIEISA-N 0 1 199.294 1.812 10 0 ADAEMN CC[C@H](C(=O)OC1CC1)N(CC)CC 783188342 582886854 /nfs/dbraw/zinc/88/68/54/582886854.db2.gz KBDKIQOXQQPHKO-SNVBAGLBSA-N 0 1 199.294 1.812 10 0 ADAEMN OC[C@]12C[C@H]1CN(Cc1ccco1)C2 783733491 582888776 /nfs/dbraw/zinc/88/87/76/582888776.db2.gz HYCXXGBGIQPIRK-GXSJLCMTSA-N 0 1 193.246 1.094 10 0 ADAEMN OC[C@@]12C[C@@H]1CN(Cc1ccoc1)C2 783736114 582888848 /nfs/dbraw/zinc/88/88/48/582888848.db2.gz VQPIFIFVDSWFMF-MNOVXSKESA-N 0 1 193.246 1.094 10 0 ADAEMN OC[C@@]12C[C@@H]1CN(Cc1ccco1)C2 783733492 582888983 /nfs/dbraw/zinc/88/89/83/582888983.db2.gz HYCXXGBGIQPIRK-KOLCDFICSA-N 0 1 193.246 1.094 10 0 ADAEMN OC[C@]12C[C@H]1CN(Cc1ccoc1)C2 783736116 582889117 /nfs/dbraw/zinc/88/91/17/582889117.db2.gz VQPIFIFVDSWFMF-WDEREUQCSA-N 0 1 193.246 1.094 10 0 ADAEMN CC[C@]1(C)CN(CCC(C)=O)CCO1 785495859 582893220 /nfs/dbraw/zinc/89/32/20/582893220.db2.gz RRLGBMBNSHYQAW-LLVKDONJSA-N 0 1 199.294 1.466 10 0 ADAEMN CC[C@@]1(C)CN(CCC(C)=O)CCO1 785495892 582893525 /nfs/dbraw/zinc/89/35/25/582893525.db2.gz RRLGBMBNSHYQAW-NSHDSACASA-N 0 1 199.294 1.466 10 0 ADAEMN CCCOC(=O)CN1[C@@H](C)CC[C@@H]1C 785739437 582894313 /nfs/dbraw/zinc/89/43/13/582894313.db2.gz AZLJLQXQHSAQDI-UWVGGRQHSA-N 0 1 199.294 1.812 10 0 ADAEMN CCCOC(=O)CN1[C@H](C)CC[C@H]1C 785739433 582894408 /nfs/dbraw/zinc/89/44/08/582894408.db2.gz AZLJLQXQHSAQDI-NXEZZACHSA-N 0 1 199.294 1.812 10 0 ADAEMN CCCOC(=O)CN1[C@@H](C)CC[C@H]1C 785739430 582894552 /nfs/dbraw/zinc/89/45/52/582894552.db2.gz AZLJLQXQHSAQDI-AOOOYVTPSA-N 0 1 199.294 1.812 10 0 ADAEMN Fc1ccc(CN2CC[C@@H]3C[C@@H]32)nc1 787272629 582898794 /nfs/dbraw/zinc/89/87/94/582898794.db2.gz VBCAUPOTAPZOPA-KCJUWKMLSA-N 0 1 192.237 1.815 10 0 ADAEMN C[C@@H](CO)N(C)Cc1ccc(F)cn1 787270557 582899066 /nfs/dbraw/zinc/89/90/66/582899066.db2.gz LBQIDCBWSXWRHA-QMMMGPOBSA-N 0 1 198.241 1.033 10 0 ADAEMN Fc1ccc(CN2CC[C@H]3C[C@H]32)nc1 787272626 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CCC[C@@H](C)CC(=O)Nc1c[nH]nn1 789927115 582906942 /nfs/dbraw/zinc/90/69/42/582906942.db2.gz JSNPBKVSPLXVFW-SSDOTTSWSA-N 0 1 196.254 1.570 10 0 ADAEMN O=C(CC1CCCC1)Nc1c[nH]nn1 789929549 582907076 /nfs/dbraw/zinc/90/70/76/582907076.db2.gz ZPJTVXBGVAVBIP-UHFFFAOYSA-N 0 1 194.238 1.324 10 0 ADAEMN CC(=CC(=O)Nc1c[nH]nn1)C1CC1 789926929 582907170 /nfs/dbraw/zinc/90/71/70/582907170.db2.gz HUUAHSPMBRDYPT-XQRVVYSFSA-N 0 1 192.222 1.100 10 0 ADAEMN O=C(Nc1c[nH]nn1)[C@@H]1CC=CCC1 789927215 582907188 /nfs/dbraw/zinc/90/71/88/582907188.db2.gz PRRNHOKMRWUWGW-SSDOTTSWSA-N 0 1 192.222 1.100 10 0 ADAEMN CC(=CC(=O)Nc1c[nH]nn1)C1CC1 789926928 582907208 /nfs/dbraw/zinc/90/72/08/582907208.db2.gz HUUAHSPMBRDYPT-GQCTYLIASA-N 0 1 192.222 1.100 10 0 ADAEMN CCC[C@H](C)CC(=O)Nc1c[nH]nn1 789927118 582907372 /nfs/dbraw/zinc/90/73/72/582907372.db2.gz JSNPBKVSPLXVFW-ZETCQYMHSA-N 0 1 196.254 1.570 10 0 ADAEMN CC(C)(C)C=CC(=O)Nc1c[nH]nn1 789931234 582907463 /nfs/dbraw/zinc/90/74/63/582907463.db2.gz CJDAZTZLVGGGJZ-SNAWJCMRSA-N 0 1 194.238 1.346 10 0 ADAEMN O=C(Nc1c[nH]nn1)[C@H]1CC=CCC1 789927219 582907443 /nfs/dbraw/zinc/90/74/43/582907443.db2.gz PRRNHOKMRWUWGW-ZETCQYMHSA-N 0 1 192.222 1.100 10 0 ADAEMN COC(=O)/C(C)=C/CN1[C@@H](C)C[C@H]1C 791566079 582913397 /nfs/dbraw/zinc/91/33/97/582913397.db2.gz MFNAVMNPVZINSL-ZEPMIFTKSA-N 0 1 197.278 1.588 10 0 ADAEMN COC(=O)/C(C)=C\CN1[C@H](C)C[C@H]1C 791566077 582913446 /nfs/dbraw/zinc/91/34/46/582913446.db2.gz MFNAVMNPVZINSL-MMIMJOASSA-N 0 1 197.278 1.588 10 0 ADAEMN COC(=O)/C(C)=C/CN1[C@H](C)C[C@H]1C 791566078 582913746 /nfs/dbraw/zinc/91/37/46/582913746.db2.gz MFNAVMNPVZINSL-STFJZOTBSA-N 0 1 197.278 1.588 10 0 ADAEMN COC(=O)/C(C)=C\CN1[C@@H](C)C[C@H]1C 791566076 582913777 /nfs/dbraw/zinc/91/37/77/582913777.db2.gz MFNAVMNPVZINSL-FANJAJBXSA-N 0 1 197.278 1.588 10 0 ADAEMN CC(C)C1CN(Cc2cncnc2)C1 793188126 582918236 /nfs/dbraw/zinc/91/82/36/582918236.db2.gz CIGXFBHRGJQELZ-UHFFFAOYSA-N 0 1 191.278 1.564 10 0 ADAEMN CC[C@@H]1CCN1CN1C[C@@H](C)CC1=O 793822641 582919244 /nfs/dbraw/zinc/91/92/44/582919244.db2.gz DFSZHZYCFNYORL-VHSXEESVSA-N 0 1 196.294 1.297 10 0 ADAEMN CC[C@@H]1CCN1CN1C[C@H](C)CC1=O 793822636 582919331 /nfs/dbraw/zinc/91/93/31/582919331.db2.gz DFSZHZYCFNYORL-NXEZZACHSA-N 0 1 196.294 1.297 10 0 ADAEMN CC[C@H]1CCN1CN1C[C@@H](C)CC1=O 793822639 582919717 /nfs/dbraw/zinc/91/97/17/582919717.db2.gz DFSZHZYCFNYORL-UWVGGRQHSA-N 0 1 196.294 1.297 10 0 ADAEMN CC[C@H]1CCN1CN1C[C@H](C)CC1=O 793822643 582919757 /nfs/dbraw/zinc/91/97/57/582919757.db2.gz DFSZHZYCFNYORL-ZJUUUORDSA-N 0 1 196.294 1.297 10 0 ADAEMN CCC(N)=NOCc1cc(C)ncn1 793834628 582919768 /nfs/dbraw/zinc/91/97/68/582919768.db2.gz JCMFQAWJUMMPGM-UHFFFAOYSA-N 0 1 194.238 1.193 10 0 ADAEMN CCC(N)=NOCc1ccnc(C)n1 794716033 582920455 /nfs/dbraw/zinc/92/04/55/582920455.db2.gz PFXMPSPVKXLUHE-UHFFFAOYSA-N 0 1 194.238 1.193 10 0 ADAEMN CC1=C(C)CN(Cn2cnnc2)CC1 794879160 582921727 /nfs/dbraw/zinc/92/17/27/582921727.db2.gz 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/nfs/dbraw/zinc/92/91/10/582929110.db2.gz FIBCTQFOWKKFRU-UHFFFAOYSA-N 0 1 194.278 1.218 10 0 ADAEMN CN(CCCO)Cc1ccc(F)cn1 799363380 582932774 /nfs/dbraw/zinc/93/27/74/582932774.db2.gz BBBXJWHUFVZVIT-UHFFFAOYSA-N 0 1 198.241 1.035 10 0 ADAEMN CN(CCCO)Cc1ccc(F)nc1 799739010 582933760 /nfs/dbraw/zinc/93/37/60/582933760.db2.gz GTIJWUJLHHWBOE-UHFFFAOYSA-N 0 1 198.241 1.035 10 0 ADAEMN COc1ccc(-c2nc[nH]n2)c(F)c1 757565339 582936892 /nfs/dbraw/zinc/93/68/92/582936892.db2.gz BTHRZZCINMNOKZ-UHFFFAOYSA-N 0 1 193.181 1.619 10 0 ADAEMN C/C=C/C(=O)N1CCN(CC)C[C@@H]1C 804379106 582940878 /nfs/dbraw/zinc/94/08/78/582940878.db2.gz GXTUUYHTRKYWJG-RWCYGVJQSA-N 0 1 196.294 1.115 10 0 ADAEMN C/C=C\C(=O)N1CCN(CC)C[C@@H]1C 804379105 582941077 /nfs/dbraw/zinc/94/10/77/582941077.db2.gz GXTUUYHTRKYWJG-OAQKJQOQSA-N 0 1 196.294 1.115 10 0 ADAEMN C/C=C/C(=O)N1CCN(CC)C[C@H]1C 804379104 582941215 /nfs/dbraw/zinc/94/12/15/582941215.db2.gz GXTUUYHTRKYWJG-DFVUYQKZSA-N 0 1 196.294 1.115 10 0 ADAEMN 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1 196.298 1.434 10 0 ADAEMN Cn1ncc(CN2CCCC2(C)C)n1 809942663 582963897 /nfs/dbraw/zinc/96/38/97/582963897.db2.gz MAMUIWOARKLHLN-UHFFFAOYSA-N 0 1 194.282 1.190 10 0 ADAEMN c1ncc(CN2CC(C3CC3)C2)cn1 812775832 582971198 /nfs/dbraw/zinc/97/11/98/582971198.db2.gz OSGBOZGBOLSOPM-UHFFFAOYSA-N 0 1 189.262 1.318 10 0 ADAEMN CCCC[C@@H](C)C(=O)Nc1c[nH]nn1 816317084 582985011 /nfs/dbraw/zinc/98/50/11/582985011.db2.gz IKOFYTOOYLQACW-SSDOTTSWSA-N 0 1 196.254 1.570 10 0 ADAEMN CCCC[C@H](C)C(=O)Nc1c[nH]nn1 816317085 582985032 /nfs/dbraw/zinc/98/50/32/582985032.db2.gz IKOFYTOOYLQACW-ZETCQYMHSA-N 0 1 196.254 1.570 10 0 ADAEMN Cc1nocc1CN1CCC1(C)C 816513309 582985924 /nfs/dbraw/zinc/98/59/24/582985924.db2.gz MIZZPUNCVFQUAQ-UHFFFAOYSA-N 0 1 180.251 1.967 10 0 ADAEMN COC[C@H]1CCN1Cc1ccoc1 816637160 582986540 /nfs/dbraw/zinc/98/65/40/582986540.db2.gz UXKQNLWQOZJHLY-SNVBAGLBSA-N 0 1 181.235 1.500 10 0 ADAEMN COC[C@@H]1CCN1Cc1ccoc1 816637159 582986671 /nfs/dbraw/zinc/98/66/71/582986671.db2.gz 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189.222 1.381 10 0 ADAEMN Cc1ccnc(N)c1[C@H]1CCC(=O)C1 70738248 343527569 /nfs/dbraw/zinc/52/75/69/343527569.db2.gz YGRSDYARMZLUSX-QMMMGPOBSA-N 0 1 190.246 1.809 10 0 ADAEMN CCc1c(C)nc([C@H](C)N)nc1C 70947676 343542764 /nfs/dbraw/zinc/54/27/64/343542764.db2.gz CITMNKZOABXTMD-LURJTMIESA-N 0 1 179.267 1.676 10 0 ADAEMN Cc1cnc([C@@H](N)C2CC2)nc1 70948490 343543177 /nfs/dbraw/zinc/54/31/77/343543177.db2.gz ADLSDXWUQPDESV-QMMMGPOBSA-N 0 1 163.224 1.195 10 0 ADAEMN Cc1nc([C@H](C)[NH3+])[n-]c(=O)c1C(C)C 70947584 343543179 /nfs/dbraw/zinc/54/31/79/343543179.db2.gz DXLQZJAQTROGRN-LURJTMIESA-N 0 1 195.266 1.221 10 0 ADAEMN CCc1c(C)nc([C@@H](C)N)nc1C 70947673 343543191 /nfs/dbraw/zinc/54/31/91/343543191.db2.gz CITMNKZOABXTMD-ZCFIWIBFSA-N 0 1 179.267 1.676 10 0 ADAEMN CC[C@@H](N)c1nc(C)c(C)c(C)n1 70947961 343543195 /nfs/dbraw/zinc/54/31/95/343543195.db2.gz WQHBBBXEDSDDOH-SECBINFHSA-N 0 1 179.267 1.812 10 0 ADAEMN CCc1c(C)nc(CN)nc1C 70947547 343543200 /nfs/dbraw/zinc/54/32/00/343543200.db2.gz LAOKMBSESHGKFR-UHFFFAOYSA-N 0 1 165.240 1.115 10 0 ADAEMN Cc1cc(C)nc([C@@H](N)C(C)C)n1 70948198 343543206 /nfs/dbraw/zinc/54/32/06/343543206.db2.gz MJDNLYAVWSUKMT-VIFPVBQESA-N 0 1 179.267 1.749 10 0 ADAEMN Cc1cnc([C@@H](N)C(C)(C)C)nc1 70948364 343543213 /nfs/dbraw/zinc/54/32/13/343543213.db2.gz IILJYJIYKAXJFA-MRVPVSSYSA-N 0 1 179.267 1.831 10 0 ADAEMN Cc1ccnc([C@H](N)C(C)(C)C)n1 70948404 343543237 /nfs/dbraw/zinc/54/32/37/343543237.db2.gz GVAFNKASXAAHRM-QMMMGPOBSA-N 0 1 179.267 1.831 10 0 ADAEMN Cc1ccc(C)n1CCc1nc[nH]n1 70820241 343533464 /nfs/dbraw/zinc/53/34/64/343533464.db2.gz NSTXKLSWGTVXAH-UHFFFAOYSA-N 0 1 190.250 1.466 10 0 ADAEMN Cc1ccc(C)n1Cc1nnc[nH]1 70820245 343533522 /nfs/dbraw/zinc/53/35/22/343533522.db2.gz UNZPCHBTGUXVCA-UHFFFAOYSA-N 0 1 176.223 1.271 10 0 ADAEMN Cc1cc(=O)[n-]c([C@@H]([NH3+])C(C)(C)C)n1 71396840 343552310 /nfs/dbraw/zinc/55/23/10/343552310.db2.gz GLVLQSFLBWOEQY-MRVPVSSYSA-N 0 1 195.266 1.124 10 0 ADAEMN CCN(C)Cc1c(N)cccc1F 70961567 343544891 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CCC[C@H]1C[C@H](C(=O)[O-])[N@@H+](C)C1 60169434 167090281 /nfs/dbraw/zinc/09/02/81/167090281.db2.gz MAWGMRQFCUEYCT-JGVFFNPUSA-N 0 1 171.240 1.191 10 0 ADAEMN CCC[C@H]1C[C@@H](C(=O)[O-])[N@@H+](C)C1 60169441 167091497 /nfs/dbraw/zinc/09/14/97/167091497.db2.gz MAWGMRQFCUEYCT-YUMQZZPRSA-N 0 1 171.240 1.191 10 0 ADAEMN CCC[C@](C)(N)C(=O)OCC(C)C 48634830 167092511 /nfs/dbraw/zinc/09/25/11/167092511.db2.gz CPJORNSBUIMERX-JTQLQIEISA-N 0 1 187.283 1.703 10 0 ADAEMN CCC[C@](C)(N)c1nc(C2CC2)no1 36865050 167092920 /nfs/dbraw/zinc/09/29/20/167092920.db2.gz MFWRNHLVINZFGP-JTQLQIEISA-N 0 1 195.266 1.921 10 0 ADAEMN CCC[C@](C)(N)c1ncno1 40454096 167093169 /nfs/dbraw/zinc/09/31/69/167093169.db2.gz LLYGRAOJXJTHEL-ZETCQYMHSA-N 0 1 155.201 1.044 10 0 ADAEMN CCC[C@](C)(N)C(=O)OC(C)(C)C 37503134 167093276 /nfs/dbraw/zinc/09/32/76/167093276.db2.gz JTFPUFZCWXKKIS-JTQLQIEISA-N 0 1 187.283 1.846 10 0 ADAEMN CCC[C@](C)(N)c1noc(C)n1 36762326 167093723 /nfs/dbraw/zinc/09/37/23/167093723.db2.gz JLBOLRIOEKJJBF-QMMMGPOBSA-N 0 1 169.228 1.352 10 0 ADAEMN CCC[C@](C)(C[N@@H+](C)CC)C(=O)[O-] 51287477 167093834 /nfs/dbraw/zinc/09/38/34/167093834.db2.gz VOQWNXGGPAEKOF-SNVBAGLBSA-N 0 1 187.283 1.829 10 0 ADAEMN CCC[C@](C)(N)c1nc(CC)no1 36865040 167093983 /nfs/dbraw/zinc/09/39/83/167093983.db2.gz SZGYPZJGHHIVQA-VIFPVBQESA-N 0 1 183.255 1.606 10 0 ADAEMN CCC[C@](C)(N)c1ncon1 36762052 167093988 /nfs/dbraw/zinc/09/39/88/167093988.db2.gz BULMCBUEVBEGFQ-ZETCQYMHSA-N 0 1 155.201 1.044 10 0 ADAEMN CCC[C@](C)(N)c1noc(CC)n1 36762821 167094253 /nfs/dbraw/zinc/09/42/53/167094253.db2.gz BTVHOINQUXVPTB-VIFPVBQESA-N 0 1 183.255 1.606 10 0 ADAEMN CCC[C@](C)(C(=O)OC)N(C)C 95533087 167094424 /nfs/dbraw/zinc/09/44/24/167094424.db2.gz DCGWHXQTYQAWCV-SECBINFHSA-N 0 1 173.256 1.280 10 0 ADAEMN CCC[C@](C)(C[N@@H+](C)C1CC1)C(=O)[O-] 51287523 167094942 /nfs/dbraw/zinc/09/49/42/167094942.db2.gz KNTBJVMYGYLUDQ-LLVKDONJSA-N 0 1 199.294 1.972 10 0 ADAEMN CCC[C@](N)(C(N)=O)c1ccccc1 37460238 167094983 /nfs/dbraw/zinc/09/49/83/167094983.db2.gz WWEXNHBQQMUZHA-LLVKDONJSA-N 0 1 192.262 1.126 10 0 ADAEMN CCC[C@](C)(N)c1noc(C2CC2)n1 36764285 167094987 /nfs/dbraw/zinc/09/49/87/167094987.db2.gz HKOCORSCRUAWCS-JTQLQIEISA-N 0 1 195.266 1.921 10 0 ADAEMN CCC[P@](=O)([O-])CCC[NH3+] 13742965 167095285 /nfs/dbraw/zinc/09/52/85/167095285.db2.gz FOYYKMGSECQQRD-UHFFFAOYSA-N 0 1 165.173 1.016 10 0 ADAEMN CCCc1nc(C)[nH]c1C=O 75539586 167096603 /nfs/dbraw/zinc/09/66/03/167096603.db2.gz QSVMCPGPKGUDSS-UHFFFAOYSA-N 0 1 152.197 1.483 10 0 ADAEMN CCCc1[nH]nc2c1C[NH2+]CC2 77261782 167096694 /nfs/dbraw/zinc/09/66/94/167096694.db2.gz OBEOELAUYIDXAC-UHFFFAOYSA-N 0 1 165.240 1.008 10 0 ADAEMN CCCc1c(C)ccnc1N 29569840 167096898 /nfs/dbraw/zinc/09/68/98/167096898.db2.gz VDDSEXZTYYRHRJ-UHFFFAOYSA-N 0 1 150.225 1.925 10 0 ADAEMN CCC[S@](=O)c1ccccc1O 32182684 167097064 /nfs/dbraw/zinc/09/70/64/167097064.db2.gz YINGXYWSYUVUJK-GFCCVEGCSA-N 0 1 184.260 1.910 10 0 ADAEMN CCC[S@@](=O)c1ccccc1O 32182682 167097934 /nfs/dbraw/zinc/09/79/34/167097934.db2.gz YINGXYWSYUVUJK-LBPRGKRZSA-N 0 1 184.260 1.910 10 0 ADAEMN CCCc1cc(=O)[nH]c(NC#N)n1 13468385 167098428 /nfs/dbraw/zinc/09/84/28/167098428.db2.gz KMVHRCWORIVGSL-UHFFFAOYSA-N 0 1 178.195 1.028 10 0 ADAEMN CCCc1cc(N)nc(N(C)C)n1 50845803 167098468 /nfs/dbraw/zinc/09/84/68/167098468.db2.gz VDQDWRSDANOYHJ-UHFFFAOYSA-N 0 1 180.255 1.077 10 0 ADAEMN CCCc1cc(COC)n[nH]1 39133913 167099531 /nfs/dbraw/zinc/09/95/31/167099531.db2.gz DRTATPIGHNCUID-UHFFFAOYSA-N 0 1 154.213 1.509 10 0 ADAEMN CCCc1cc(NC)nc(N(C)C)n1 50850008 167099835 /nfs/dbraw/zinc/09/98/35/167099835.db2.gz RKTFNWGGXQPIAT-UHFFFAOYSA-N 0 1 194.282 1.537 10 0 ADAEMN CCCc1c(C)nc(NC#N)[nH]c1=O 16884251 167101605 /nfs/dbraw/zinc/10/16/05/167101605.db2.gz JCQWILLPXPWIIA-UHFFFAOYSA-N 0 1 192.222 1.336 10 0 ADAEMN CCCc1ccc(N)c(N)n1 196992926 167102993 /nfs/dbraw/zinc/10/29/93/167102993.db2.gz HUEGRMDMHNLENZ-UHFFFAOYSA-N 0 1 151.213 1.199 10 0 ADAEMN CCCc1nc([C@@H]2CCCO2)n[nH]1 41057494 167105337 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/nfs/dbraw/zinc/00/29/58/167002958.db2.gz SHQDHKMGCGRPDK-LURJTMIESA-N 0 1 159.254 1.018 10 0 ADAEMN CCCc1[nH]nc2cc(N)c(N)cc12 89197659 167106738 /nfs/dbraw/zinc/10/67/38/167106738.db2.gz OOJOHKYOERLMQL-UHFFFAOYSA-N 0 1 190.250 1.680 10 0 ADAEMN CCCc1nnc(-c2cccnc2)[nH]1 41057458 167106840 /nfs/dbraw/zinc/10/68/40/167106840.db2.gz ZVTRTINRAKXLDW-UHFFFAOYSA-N 0 1 188.234 1.819 10 0 ADAEMN CCCc1n[nH]c([C@H]2C[C@@H]2C)n1 41057430 167106938 /nfs/dbraw/zinc/10/69/38/167106938.db2.gz WFBGPPFQRNAMCD-BQBZGAKWSA-N 0 1 165.240 1.881 10 0 ADAEMN CCCc1nnc([C@H]2C[C@@H]2C)[nH]1 41057430 167106942 /nfs/dbraw/zinc/10/69/42/167106942.db2.gz WFBGPPFQRNAMCD-BQBZGAKWSA-N 0 1 165.240 1.881 10 0 ADAEMN CCCc1[nH]nc2c1[C@@H](O)CC2 72415272 167106977 /nfs/dbraw/zinc/10/69/77/167106977.db2.gz XKEVSDUMYQAMPG-QMMMGPOBSA-N 0 1 166.224 1.342 10 0 ADAEMN CCCc1nnc(-c2cnn(C)c2)[nH]1 41057464 167107080 /nfs/dbraw/zinc/10/70/80/167107080.db2.gz LAWVBTBREDCITM-UHFFFAOYSA-N 0 1 191.238 1.158 10 0 ADAEMN CCCc1n[nH]c(C2CC2)n1 41057513 167107101 /nfs/dbraw/zinc/10/71/01/167107101.db2.gz QDDJVLUBDBVZSX-UHFFFAOYSA-N 0 1 151.213 1.635 10 0 ADAEMN CCCc1nnc(C2CC2)[nH]1 41057513 167107103 /nfs/dbraw/zinc/10/71/03/167107103.db2.gz QDDJVLUBDBVZSX-UHFFFAOYSA-N 0 1 151.213 1.635 10 0 ADAEMN CCCc1n[nH]c([C@@H]2C[C@H]2C)n1 41057432 167107229 /nfs/dbraw/zinc/10/72/29/167107229.db2.gz WFBGPPFQRNAMCD-RNFRBKRXSA-N 0 1 165.240 1.881 10 0 ADAEMN CCCc1nnc([C@@H]2C[C@H]2C)[nH]1 41057432 167107232 /nfs/dbraw/zinc/10/72/32/167107232.db2.gz WFBGPPFQRNAMCD-RNFRBKRXSA-N 0 1 165.240 1.881 10 0 ADAEMN CCCc1[nH]nc(C)c1N 77260231 167107303 /nfs/dbraw/zinc/10/73/03/167107303.db2.gz SMCKQAUINXDEMS-UHFFFAOYSA-N 0 1 139.202 1.253 10 0 ADAEMN CCCc1nc(CC2CC2)n[nH]1 49731368 167108165 /nfs/dbraw/zinc/10/81/65/167108165.db2.gz XGMNSOXUPYNTBQ-UHFFFAOYSA-N 0 1 165.240 1.710 10 0 ADAEMN CCCc1nnc(CC2CC2)[nH]1 49731368 167108166 /nfs/dbraw/zinc/10/81/66/167108166.db2.gz XGMNSOXUPYNTBQ-UHFFFAOYSA-N 0 1 165.240 1.710 10 0 ADAEMN CCCc1n[nH]c([C@H]2CCOC2)n1 41057360 167108169 /nfs/dbraw/zinc/10/81/69/167108169.db2.gz OVRKBHIZALEVEL-ZETCQYMHSA-N 0 1 181.239 1.261 10 0 ADAEMN CCCc1nc([C@H]2CCOC2)n[nH]1 41057360 167108170 /nfs/dbraw/zinc/10/81/70/167108170.db2.gz OVRKBHIZALEVEL-ZETCQYMHSA-N 0 1 181.239 1.261 10 0 ADAEMN CCCc1[nH]nc2c(=S)[nH]cnc12 89211934 167108178 /nfs/dbraw/zinc/10/81/78/167108178.db2.gz LKJVFYOPSOUKPL-UHFFFAOYSA-N 0 1 194.263 1.594 10 0 ADAEMN CCCc1n[nH]c([C@@H]2C[C@@H]2C)n1 41057428 167108249 /nfs/dbraw/zinc/10/82/49/167108249.db2.gz WFBGPPFQRNAMCD-NKWVEPMBSA-N 0 1 165.240 1.881 10 0 ADAEMN CCCc1nnc([C@@H]2C[C@@H]2C)[nH]1 41057428 167108250 /nfs/dbraw/zinc/10/82/50/167108250.db2.gz WFBGPPFQRNAMCD-NKWVEPMBSA-N 0 1 165.240 1.881 10 0 ADAEMN CCCc1n[nH]c(C(C)C)n1 44376574 167108265 /nfs/dbraw/zinc/10/82/65/167108265.db2.gz PUYKRCIDGWQTFD-UHFFFAOYSA-N 0 1 153.229 1.881 10 0 ADAEMN CCCc1nnc(C(C)C)[nH]1 44376574 167108268 /nfs/dbraw/zinc/10/82/68/167108268.db2.gz PUYKRCIDGWQTFD-UHFFFAOYSA-N 0 1 153.229 1.881 10 0 ADAEMN CCCc1n[nH]c([C@H]2C[C@H]2C)n1 41057434 167108329 /nfs/dbraw/zinc/10/83/29/167108329.db2.gz WFBGPPFQRNAMCD-RQJHMYQMSA-N 0 1 165.240 1.881 10 0 ADAEMN CCCc1nnc([C@H]2C[C@H]2C)[nH]1 41057434 167108333 /nfs/dbraw/zinc/10/83/33/167108333.db2.gz WFBGPPFQRNAMCD-RQJHMYQMSA-N 0 1 165.240 1.881 10 0 ADAEMN CCCc1nnc(CNC(C)C)[nH]1 41058588 167109473 /nfs/dbraw/zinc/10/94/73/167109473.db2.gz ZJAQZZUYMNSKSJ-UHFFFAOYSA-N 0 1 182.271 1.255 10 0 ADAEMN CCCc1nc([C@@H](N)CC)no1 36763458 167109555 /nfs/dbraw/zinc/10/95/55/167109555.db2.gz NPAPQFRTPIOZMA-LURJTMIESA-N 0 1 169.228 1.432 10 0 ADAEMN CCCc1nc(CN)c(C)o1 82632020 167109709 /nfs/dbraw/zinc/10/97/09/167109709.db2.gz JFBULEKXNDLDNI-UHFFFAOYSA-N 0 1 154.213 1.394 10 0 ADAEMN CCCc1nnc(CNC2CC2)[nH]1 41058596 167109962 /nfs/dbraw/zinc/10/99/62/167109962.db2.gz RRSTWIHEPKPNSP-UHFFFAOYSA-N 0 1 180.255 1.009 10 0 ADAEMN CCCc1nc([C@@H](N)C2CC2)no1 41093090 167110115 /nfs/dbraw/zinc/11/01/15/167110115.db2.gz 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96866375 168235431 /nfs/dbraw/zinc/23/54/31/168235431.db2.gz YPDGZXFPXLACNA-ZCFIWIBFSA-N 0 1 197.209 1.364 10 0 ADAEMN COc1cc(N)c2nc[nH]c2c1 211730991 168235443 /nfs/dbraw/zinc/23/54/43/168235443.db2.gz ILTBAYRBKYSCJD-UHFFFAOYSA-N 0 1 163.180 1.154 10 0 ADAEMN COc1cc(F)ccc1C(=O)[C@H](C)N 82914846 168235511 /nfs/dbraw/zinc/23/55/11/168235511.db2.gz YPDGZXFPXLACNA-LURJTMIESA-N 0 1 197.209 1.364 10 0 ADAEMN COc1cc(F)c2c(C=O)[nH]nc2c1 14984144 168235557 /nfs/dbraw/zinc/23/55/57/168235557.db2.gz IHUNDRVRNLGKFY-UHFFFAOYSA-N 0 1 194.165 1.523 10 0 in-vitro ADAEMN COc1cc(N)c2nccc(N)c2c1 39218514 168235570 /nfs/dbraw/zinc/23/55/70/168235570.db2.gz UZXCQEDDBHERCF-UHFFFAOYSA-N 0 1 189.218 1.408 10 0 ADAEMN COc1cc(F)cc2[nH][nH]c(=O)c12 14984171 168236027 /nfs/dbraw/zinc/23/60/27/168236027.db2.gz WQUWOIRFISAJCD-UHFFFAOYSA-N 0 1 182.154 1.416 10 0 ADAEMN COc1cc(O)c2c(=O)cc[nH]c2c1 27876171 168236559 /nfs/dbraw/zinc/23/65/59/168236559.db2.gz IUNOSHQVWLANIS-UHFFFAOYSA-N 0 1 191.186 1.242 10 0 ADAEMN COc1cc(N)cc2[nH]c(C)nc12 38338614 168236789 /nfs/dbraw/zinc/23/67/89/168236789.db2.gz LQFVTIDZRJIJQN-UHFFFAOYSA-N 0 1 177.207 1.462 10 0 ADAEMN COc1cc(N)nc2ccccc12 33992213 168236800 /nfs/dbraw/zinc/23/68/00/168236800.db2.gz LRMNFFRHIXAPMX-UHFFFAOYSA-N 0 1 174.203 1.826 10 0 ADAEMN COc1cc(N)ncc1OC1CC1 95729093 168237817 /nfs/dbraw/zinc/23/78/17/168237817.db2.gz VXKPGPOVAFTNIP-UHFFFAOYSA-N 0 1 180.207 1.214 10 0 ADAEMN COc1cc(N)ccc1-c1nnc[nH]1 82530322 168238189 /nfs/dbraw/zinc/23/81/89/168238189.db2.gz IOUFVXJZFWPYOQ-UHFFFAOYSA-N 0 1 190.206 1.063 10 0 ADAEMN COc1cc(OC2CC2)cnc1CN 95713133 168238516 /nfs/dbraw/zinc/23/85/16/168238516.db2.gz JFZCKLZFFJRFNM-UHFFFAOYSA-N 0 1 194.234 1.090 10 0 ADAEMN COc1cc(OC)c2cn[nH]c2c1 89196528 168238826 /nfs/dbraw/zinc/23/88/26/168238826.db2.gz IWBVBRCONDNRBK-UHFFFAOYSA-N 0 1 178.191 1.580 10 0 ADAEMN COc1cc(OC)c2c(c1)OC[C@H]2N 36204604 168239004 /nfs/dbraw/zinc/23/90/04/168239004.db2.gz WLMMDFVCPPSUDJ-SSDOTTSWSA-N 0 1 195.218 1.096 10 0 ADAEMN COc1cc([C@@H]2NCCO2)ccc1O 49811420 168239044 /nfs/dbraw/zinc/23/90/44/168239044.db2.gz BZXIZOBMOPMDJE-SNVBAGLBSA-N 0 1 195.218 1.019 10 0 ADAEMN COc1cc(OC)c2c(c1)OC[C@@H]2N 36204607 168239301 /nfs/dbraw/zinc/23/93/01/168239301.db2.gz WLMMDFVCPPSUDJ-ZETCQYMHSA-N 0 1 195.218 1.096 10 0 ADAEMN COc1cc2c(c(OC)c1)C(=O)CN2 89203869 168240230 /nfs/dbraw/zinc/24/02/30/168240230.db2.gz MISRSPNNLBRWCM-UHFFFAOYSA-N 0 1 193.202 1.312 10 0 ADAEMN COc1cc([C@H]2NCCO2)ccc1O 49811421 168240689 /nfs/dbraw/zinc/24/06/89/168240689.db2.gz BZXIZOBMOPMDJE-JTQLQIEISA-N 0 1 195.218 1.019 10 0 ADAEMN COc1cc2nc(C)[nH]c2cc1C=O 34448039 168240814 /nfs/dbraw/zinc/24/08/14/168240814.db2.gz YLMQJOMFVRQGKR-UHFFFAOYSA-N 0 1 190.202 1.692 10 0 ADAEMN COc1cc2cnccc2cc1N 82399405 168242200 /nfs/dbraw/zinc/24/22/00/168242200.db2.gz LXYNDJAEAQDJDE-UHFFFAOYSA-N 0 1 174.203 1.826 10 0 ADAEMN COc1cc2nc(c1)CC2 100187693 168242296 /nfs/dbraw/zinc/24/22/96/168242296.db2.gz NBVTZZHRUWUQMA-UHFFFAOYSA-N 0 1 135.166 1.189 10 0 ADAEMN COc1cc2[nH]cnc2cc1C 115367686 168242826 /nfs/dbraw/zinc/24/28/26/168242826.db2.gz NTRDUQMAJNJZAW-UHFFFAOYSA-N 0 1 162.192 1.880 10 0 ADAEMN COc1ccc(C(=O)C2(N)CC2)cc1 11630587 168243713 /nfs/dbraw/zinc/24/37/13/168243713.db2.gz HABJZEGLNOOCLE-UHFFFAOYSA-N 0 1 191.230 1.369 10 0 ADAEMN COc1ccc(C(=N)NO)c(F)c1 75848031 168244422 /nfs/dbraw/zinc/24/44/22/168244422.db2.gz JRCFFZIHAIWLEV-UHFFFAOYSA-N 0 1 184.170 1.138 10 0 ADAEMN COc1ccc(C(=O)C(C)(C)N)cc1 58327418 168244596 /nfs/dbraw/zinc/24/45/96/168244596.db2.gz UYFRKSBSUZQXCE-UHFFFAOYSA-N 0 1 193.246 1.615 10 0 ADAEMN COc1ccc(C(=O)[C@@H](C)N)c(C)c1 82892528 168245336 /nfs/dbraw/zinc/24/53/36/168245336.db2.gz ZYIPQJOPVWVWLC-MRVPVSSYSA-N 0 1 193.246 1.534 10 0 ADAEMN COc1ccc(C(=O)[C@H](C)N)cc1C 58327349 168245708 /nfs/dbraw/zinc/24/57/08/168245708.db2.gz IIDZMXLQWKRWLK-QMMMGPOBSA-N 0 1 193.246 1.534 10 0 ADAEMN COc1ccc(C)c(C(=O)[C@@H](C)N)c1 39090429 168245732 /nfs/dbraw/zinc/24/57/32/168245732.db2.gz AGSRZLZMGJZQNB-MRVPVSSYSA-N 0 1 193.246 1.534 10 0 ADAEMN COc1ccc(C(=O)[C@@H](C)N)cc1F 36157080 168245886 /nfs/dbraw/zinc/24/58/86/168245886.db2.gz CAJRACYOFRNKCI-ZCFIWIBFSA-N 0 1 197.209 1.364 10 0 ADAEMN COc1ccc(C(=O)[C@H](C)N)cc1F 36157076 168245973 /nfs/dbraw/zinc/24/59/73/168245973.db2.gz CAJRACYOFRNKCI-LURJTMIESA-N 0 1 197.209 1.364 10 0 ADAEMN COc1ccc(C(=O)[C@@H](C)N)cc1C 58327347 168246137 /nfs/dbraw/zinc/24/61/37/168246137.db2.gz IIDZMXLQWKRWLK-MRVPVSSYSA-N 0 1 193.246 1.534 10 0 ADAEMN COc1ccc(C)c(C(=O)[C@H](C)N)c1 39090430 168246274 /nfs/dbraw/zinc/24/62/74/168246274.db2.gz AGSRZLZMGJZQNB-QMMMGPOBSA-N 0 1 193.246 1.534 10 0 ADAEMN COc1ccc(C(=O)[C@H](C)N)c(C)c1 82892529 168246426 /nfs/dbraw/zinc/24/64/26/168246426.db2.gz ZYIPQJOPVWVWLC-QMMMGPOBSA-N 0 1 193.246 1.534 10 0 ADAEMN COc1ccc(C(=O)[C@H](C)N)cc1 53165475 168246541 /nfs/dbraw/zinc/24/65/41/168246541.db2.gz OAXMCCKHVVXIQA-ZETCQYMHSA-N 0 1 179.219 1.225 10 0 ADAEMN COc1ccc(C(=O)[C@@H](C)N)cc1 53165477 168246696 /nfs/dbraw/zinc/24/66/96/168246696.db2.gz OAXMCCKHVVXIQA-SSDOTTSWSA-N 0 1 179.219 1.225 10 0 ADAEMN COc1ccc(C)cc1C(=O)[C@@H](C)N 58327353 168247142 /nfs/dbraw/zinc/24/71/42/168247142.db2.gz VCILRLYLFYPPGR-MRVPVSSYSA-N 0 1 193.246 1.534 10 0 ADAEMN COc1ccc(C)cc1C(=O)[C@H](C)N 58327356 168247441 /nfs/dbraw/zinc/24/74/41/168247441.db2.gz VCILRLYLFYPPGR-QMMMGPOBSA-N 0 1 193.246 1.534 10 0 ADAEMN COc1ccc(C)cc1CC(=O)CN 82388211 168247748 /nfs/dbraw/zinc/24/77/48/168247748.db2.gz JDAIWHIYTNNEQP-UHFFFAOYSA-N 0 1 193.246 1.074 10 0 ADAEMN COc1ccc(CO)cc1CN(C)C 45206447 168250895 /nfs/dbraw/zinc/25/08/95/168250895.db2.gz LNSKPJUQNGJFHK-UHFFFAOYSA-N 0 1 195.262 1.249 10 0 ADAEMN COc1ccc(C[C@@H](N)C(C)=O)cc1 39090424 168250980 /nfs/dbraw/zinc/25/09/80/168250980.db2.gz UKWPYCHZAPELGS-LLVKDONJSA-N 0 1 193.246 1.154 10 0 ADAEMN COc1ccc(C[C@H](N)C(C)=O)cc1 39090425 168251473 /nfs/dbraw/zinc/25/14/73/168251473.db2.gz UKWPYCHZAPELGS-NSHDSACASA-N 0 1 193.246 1.154 10 0 ADAEMN COc1ccc(Cc2nc[nH]n2)cc1 137605933 168251743 /nfs/dbraw/zinc/25/17/43/168251743.db2.gz LVJYPOIRXUSZHI-UHFFFAOYSA-N 0 1 189.218 1.404 10 0 ADAEMN COc1ccc(F)cc1C(=O)[C@H](C)N 36157086 168252427 /nfs/dbraw/zinc/25/24/27/168252427.db2.gz UXAHFUJAZGBTEC-LURJTMIESA-N 0 1 197.209 1.364 10 0 ADAEMN COc1ccc(F)c(F)c1C(=N)N 75915123 168252731 /nfs/dbraw/zinc/25/27/31/168252731.db2.gz INYGBTJAHBTTFX-UHFFFAOYSA-N 0 1 186.161 1.257 10 0 ADAEMN COc1ccc(F)c(CN(C)C)c1 39090138 168253171 /nfs/dbraw/zinc/25/31/71/168253171.db2.gz MBDUZBGVAJMYKT-UHFFFAOYSA-N 0 1 183.226 1.896 10 0 ADAEMN COc1ccc(F)cc1C(=O)[C@@H](C)N 36157088 168253249 /nfs/dbraw/zinc/25/32/49/168253249.db2.gz UXAHFUJAZGBTEC-ZCFIWIBFSA-N 0 1 197.209 1.364 10 0 ADAEMN COc1ccc(N)cc1-c1nnc[nH]1 82530321 168254550 /nfs/dbraw/zinc/25/45/50/168254550.db2.gz XKXRVGPCDJAIFJ-UHFFFAOYSA-N 0 1 190.206 1.063 10 0 ADAEMN COc1ccc(N)c2c1CCN(C)C2 82790097 168254759 /nfs/dbraw/zinc/25/47/59/168254759.db2.gz OONIIUXNKCAFOD-UHFFFAOYSA-N 0 1 192.262 1.265 10 0 ADAEMN COc1ccc(OC)c2[nH]c(N)nc12 95924493 168255889 /nfs/dbraw/zinc/25/58/89/168255889.db2.gz AWGSUHYXRDHGLK-UHFFFAOYSA-N 0 1 193.206 1.162 10 0 ADAEMN COc1ccc(OC)c2c1OC[C@@H]2N 39090506 168255910 /nfs/dbraw/zinc/25/59/10/168255910.db2.gz CIBVCTAUDSGZHZ-LURJTMIESA-N 0 1 195.218 1.096 10 0 ADAEMN COc1ccc(OC)c2c1OC[C@H]2N 39090505 168255969 /nfs/dbraw/zinc/25/59/69/168255969.db2.gz CIBVCTAUDSGZHZ-ZCFIWIBFSA-N 0 1 195.218 1.096 10 0 ADAEMN COc1ccc(OC2CC2)c(CN)n1 95738202 168256323 /nfs/dbraw/zinc/25/63/23/168256323.db2.gz ZSJVKFDRRBEHDR-UHFFFAOYSA-N 0 1 194.234 1.090 10 0 ADAEMN COc1ccc(OC)c(C=N)c1 39089565 168256877 /nfs/dbraw/zinc/25/68/77/168256877.db2.gz ZTYQNEJFDPJAGH-UHFFFAOYSA-N 0 1 165.192 1.701 10 0 ADAEMN COc1ccc([C@@H]2N[C@@H](C)CO2)cc1 71506305 168257475 /nfs/dbraw/zinc/25/74/75/168257475.db2.gz WWLWTMMCQIKSBR-GZMMTYOYSA-N 0 1 193.246 1.702 10 0 ADAEMN COc1ccc([C@@H](N)N(C)C)cc1 26442537 168257545 /nfs/dbraw/zinc/25/75/45/168257545.db2.gz YMKGYKAEPOFCDF-JTQLQIEISA-N 0 1 180.251 1.214 10 0 ADAEMN COc1ccc([C@@H]2NCCCO2)cc1 32147067 168257723 /nfs/dbraw/zinc/25/77/23/168257723.db2.gz CATPMMKKMWYOSJ-LLVKDONJSA-N 0 1 193.246 1.704 10 0 ADAEMN COc1ccc([C@@H]2NC[C@H](C)O2)cc1 71506303 168257785 /nfs/dbraw/zinc/25/77/85/168257785.db2.gz DCJQVDCUIMIYHM-GZMMTYOYSA-N 0 1 193.246 1.702 10 0 ADAEMN COc1ccc([C@@H]2NC[C@@H](C)O2)cc1 71506302 168257829 /nfs/dbraw/zinc/25/78/29/168257829.db2.gz DCJQVDCUIMIYHM-LDYMZIIASA-N 0 1 193.246 1.702 10 0 ADAEMN COc1ccc([C@@H]2N[C@H](C)CO2)cc1 71506304 168257840 /nfs/dbraw/zinc/25/78/40/168257840.db2.gz WWLWTMMCQIKSBR-LDYMZIIASA-N 0 1 193.246 1.702 10 0 ADAEMN COc1ccc([C@H](N)N(C)C)cc1 26442539 168259714 /nfs/dbraw/zinc/25/97/14/168259714.db2.gz YMKGYKAEPOFCDF-SNVBAGLBSA-N 0 1 180.251 1.214 10 0 ADAEMN COc1ccc([C@H]2NCCCO2)cc1 32147072 168260413 /nfs/dbraw/zinc/26/04/13/168260413.db2.gz CATPMMKKMWYOSJ-NSHDSACASA-N 0 1 193.246 1.704 10 0 ADAEMN COc1ccc([C@H]2NC[C@H](C)O2)cc1 71506301 168260499 /nfs/dbraw/zinc/26/04/99/168260499.db2.gz DCJQVDCUIMIYHM-KWQFWETISA-N 0 1 193.246 1.702 10 0 ADAEMN COc1ccc([C@H]2N[C@@H](C)CO2)cc1 71506307 168260563 /nfs/dbraw/zinc/26/05/63/168260563.db2.gz WWLWTMMCQIKSBR-KWQFWETISA-N 0 1 193.246 1.702 10 0 ADAEMN COc1ccc([C@H]2N[C@H](C)CO2)cc1 71506306 168260599 /nfs/dbraw/zinc/26/05/99/168260599.db2.gz WWLWTMMCQIKSBR-KCJUWKMLSA-N 0 1 193.246 1.702 10 0 ADAEMN COc1ccc([C@H]2NC[C@@H](C)O2)cc1 71506300 168260687 /nfs/dbraw/zinc/26/06/87/168260687.db2.gz DCJQVDCUIMIYHM-KCJUWKMLSA-N 0 1 193.246 1.702 10 0 ADAEMN COc1ccc2c(c1)C(=O)[C@H](N)CC2 83824585 168261059 /nfs/dbraw/zinc/26/10/59/168261059.db2.gz FCGKBQNZVWGRGP-SNVBAGLBSA-N 0 1 191.230 1.151 10 0 in-vitro ADAEMN COc1ccc2scc(O)c2c1 38856407 168261651 /nfs/dbraw/zinc/26/16/51/168261651.db2.gz GDQPSPPHWDKJPW-UHFFFAOYSA-N 0 1 180.228 1.984 10 0 ADAEMN COc1ccc2c(O)coc(=O)c2c1 196365872 168262075 /nfs/dbraw/zinc/26/20/75/168262075.db2.gz YBFBCSCMSUADJA-UHFFFAOYSA-N 0 1 192.170 1.048 10 0 ADAEMN COc1ccc2c(O)c[nH]c2c1 89203853 168262419 /nfs/dbraw/zinc/26/24/19/168262419.db2.gz CMNPBPDXHOPYTP-UHFFFAOYSA-N 0 1 163.176 1.882 10 0 ADAEMN COc1ccc2c(c1)C(=O)[C@@H](N)CC2 83824587 168262442 /nfs/dbraw/zinc/26/24/42/168262442.db2.gz FCGKBQNZVWGRGP-JTQLQIEISA-N 0 1 191.230 1.151 10 0 in-vitro ADAEMN COc1ccc2c(O)csc2c1 38856409 168263756 /nfs/dbraw/zinc/26/37/56/168263756.db2.gz UXEJVCIWCVCHOZ-UHFFFAOYSA-N 0 1 180.228 1.984 10 0 ADAEMN COc1ccc2c(c1OC)[C@@H](N)CO2 39090545 168265068 /nfs/dbraw/zinc/26/50/68/168265068.db2.gz XJUCIUFRDIMREY-LURJTMIESA-N 0 1 195.218 1.096 10 0 ADAEMN COc1ccc2c(c1OC)[C@H](N)CO2 39090544 168265230 /nfs/dbraw/zinc/26/52/30/168265230.db2.gz XJUCIUFRDIMREY-ZCFIWIBFSA-N 0 1 195.218 1.096 10 0 ADAEMN COc1ccc2c(c1O)CCN(C)C2 75581247 168265482 /nfs/dbraw/zinc/26/54/82/168265482.db2.gz BXEKNQRKBFASRY-UHFFFAOYSA-N 0 1 193.246 1.389 10 0 ADAEMN COc1cccc(-c2cn[nH]n2)c1O 6289850 168265895 /nfs/dbraw/zinc/26/58/95/168265895.db2.gz VAPYDWLVIWNIKE-UHFFFAOYSA-N 0 1 191.190 1.186 10 0 ADAEMN COc1cccc(-c2cn[nH]n2)c1 29037959 168266728 /nfs/dbraw/zinc/26/67/28/168266728.db2.gz WJIRLEBFOIWONX-UHFFFAOYSA-N 0 1 175.191 1.480 10 0 ADAEMN COc1ccc2oc(CN)cc2n1 82870205 168266780 /nfs/dbraw/zinc/26/67/80/168266780.db2.gz ATYVTBXJYQXDHA-UHFFFAOYSA-N 0 1 178.191 1.295 10 0 ADAEMN COc1cccc(C(=O)C(C)(C)N)c1 71506298 168267360 /nfs/dbraw/zinc/26/73/60/168267360.db2.gz NKTXXVHMHXUUTH-UHFFFAOYSA-N 0 1 193.246 1.615 10 0 ADAEMN COc1cccc(C(=O)[C@@H](C)N)c1 71497731 168267387 /nfs/dbraw/zinc/26/73/87/168267387.db2.gz BWNZFROXJQBRBC-SSDOTTSWSA-N 0 1 179.219 1.225 10 0 ADAEMN COc1cccc(C(=O)[C@H](C)N)c1 71497729 168267925 /nfs/dbraw/zinc/26/79/25/168267925.db2.gz BWNZFROXJQBRBC-ZETCQYMHSA-N 0 1 179.219 1.225 10 0 ADAEMN COc1cccc([C@@H]2NCCO2)c1 49805497 168272097 /nfs/dbraw/zinc/27/20/97/168272097.db2.gz OEQOYXUWZKDRBR-SNVBAGLBSA-N 0 1 179.219 1.314 10 0 ADAEMN COc1cccc([C@H]2NCCO2)c1 49805498 168272153 /nfs/dbraw/zinc/27/21/53/168272153.db2.gz OEQOYXUWZKDRBR-JTQLQIEISA-N 0 1 179.219 1.314 10 0 ADAEMN 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1.823 10 0 ADAEMN CC1(C)CCc2c1nc1n2CCCN1 135884057 343970589 /nfs/dbraw/zinc/97/05/89/343970589.db2.gz OPDFUAHXMOZPPU-UHFFFAOYSA-N 0 1 191.278 1.923 10 0 ADAEMN Cc1nc(CN[C@@H]2C[C@@H]2C)cs1 52272707 168940513 /nfs/dbraw/zinc/94/05/13/168940513.db2.gz GRXRPLOGWKKHDD-IMTBSYHQSA-N 0 1 182.292 1.950 10 0 ADAEMN Cc1nc(CNCC2CC2)oc1C 37909173 168941868 /nfs/dbraw/zinc/94/18/68/168941868.db2.gz VMSHFBWRYOJEHT-UHFFFAOYSA-N 0 1 180.251 1.791 10 0 ADAEMN Cc1nc([C@@H](O)c2ccccc2)n[nH]1 50305213 168948744 /nfs/dbraw/zinc/94/87/44/168948744.db2.gz LCUHTYWFSPHOLZ-VIFPVBQESA-N 0 1 189.218 1.195 10 0 ADAEMN Cc1nc([C@H](C)N2CCCC2)n[nH]1 334804499 168951820 /nfs/dbraw/zinc/95/18/20/168951820.db2.gz BCHDIBFBFNYMIG-ZETCQYMHSA-N 0 1 180.255 1.270 10 0 ADAEMN Cc1nc([C@]2(N)CCC[C@H](C)C2)no1 36762264 168952782 /nfs/dbraw/zinc/95/27/82/168952782.db2.gz AAJFJMKSPMLKPP-XVKPBYJWSA-N 0 1 195.266 1.742 10 0 ADAEMN Cc1nc([C@]2(N)CCCC[C@H]2C)no1 36762276 168953720 /nfs/dbraw/zinc/95/37/20/168953720.db2.gz MLNKQZMCSLZFGR-XCBNKYQSSA-N 0 1 195.266 1.742 10 0 ADAEMN Cc1nc2ccc(C)c(C=O)c2[nH]1 82399479 168953739 /nfs/dbraw/zinc/95/37/39/168953739.db2.gz PHNOTBMPEHWNGU-UHFFFAOYSA-N 0 1 174.203 1.992 10 0 ADAEMN Cc1nc2c(Cl)cc(N)nc2[nH]1 82394711 168953779 /nfs/dbraw/zinc/95/37/79/168953779.db2.gz QTKLCILQQHEPIB-UHFFFAOYSA-N 0 1 182.614 1.502 10 0 ADAEMN Cc1nc2c(n1C[C@H]1CO1)CCCC2 76095331 168954926 /nfs/dbraw/zinc/95/49/26/168954926.db2.gz CJZXKBFBFNZGNY-VIFPVBQESA-N 0 1 192.262 1.469 10 0 ADAEMN Cc1nc2cccc(N)c2n1C 82850323 168958466 /nfs/dbraw/zinc/95/84/66/168958466.db2.gz MDOKBVXKWWFHKS-UHFFFAOYSA-N 0 1 161.208 1.464 10 0 ADAEMN Cc1ncc(CN2[C@@H](C)C[C@@H]2C)cn1 334240376 168964807 /nfs/dbraw/zinc/96/48/07/168964807.db2.gz OOLFBHKULYPLFN-IUCAKERBSA-N 0 1 191.278 1.768 10 0 ADAEMN Cc1nccc(OC2CC2)c1N 95712565 168972577 /nfs/dbraw/zinc/97/25/77/168972577.db2.gz DNIPVYOLFKIQEK-UHFFFAOYSA-N 0 1 164.208 1.513 10 0 ADAEMN Cc1nn2cc[nH]c2c1Cl 39133824 168986936 /nfs/dbraw/zinc/98/69/36/168986936.db2.gz PCXCXBGXIWICQI-UHFFFAOYSA-N 0 1 155.588 1.624 10 0 ADAEMN Cc1noc(C)c1CN1CC(C)C1 307214643 168998620 /nfs/dbraw/zinc/99/86/20/168998620.db2.gz KNXQJMNVYFSZBD-UHFFFAOYSA-N 0 1 180.251 1.743 10 0 ADAEMN Cc1noc(CN[C@@H](C)C2CC2)n1 38034367 169000128 /nfs/dbraw/zinc/00/01/28/169000128.db2.gz KBIVTLHVAZCCGN-LURJTMIESA-N 0 1 181.239 1.266 10 0 ADAEMN Cc1noc(CN[C@H](C)C2CC2)n1 38034368 169000247 /nfs/dbraw/zinc/00/02/47/169000247.db2.gz KBIVTLHVAZCCGN-ZCFIWIBFSA-N 0 1 181.239 1.266 10 0 ADAEMN Cc1noc(CN[C@H](C)CC(C)C)n1 38034478 169000265 /nfs/dbraw/zinc/00/02/65/169000265.db2.gz RIHBQVSRXLEDFS-MRVPVSSYSA-N 0 1 197.282 1.902 10 0 ADAEMN Cc1noc(CNC2CCCCC2)n1 37980765 169000366 /nfs/dbraw/zinc/00/03/66/169000366.db2.gz MNXQIKQLMRLOPY-UHFFFAOYSA-N 0 1 195.266 1.800 10 0 ADAEMN Cc1noc(CN[C@@H](C)C2(C)CC2)n1 38034238 169000398 /nfs/dbraw/zinc/00/03/98/169000398.db2.gz HVSGKGVYNUUQFH-ZETCQYMHSA-N 0 1 195.266 1.656 10 0 ADAEMN Cc1noc(CN[C@H](C)C(C)C)n1 37980615 169000453 /nfs/dbraw/zinc/00/04/53/169000453.db2.gz YSDBOBBZGYORIF-SSDOTTSWSA-N 0 1 183.255 1.512 10 0 ADAEMN Cc1noc(CN[C@H](C)C2(C)CC2)n1 38034239 169000481 /nfs/dbraw/zinc/00/04/81/169000481.db2.gz HVSGKGVYNUUQFH-SSDOTTSWSA-N 0 1 195.266 1.656 10 0 ADAEMN Cc1noc(CN2CC[C@H](C)[C@H]2C)n1 335294429 169000522 /nfs/dbraw/zinc/00/05/22/169000522.db2.gz AEJMNERJAWXMMN-JGVFFNPUSA-N 0 1 195.266 1.608 10 0 ADAEMN Cc1noc(CN[C@@H](C)CC(C)C)n1 38034477 169000665 /nfs/dbraw/zinc/00/06/65/169000665.db2.gz RIHBQVSRXLEDFS-QMMMGPOBSA-N 0 1 197.282 1.902 10 0 ADAEMN Cc1noc(CN[C@@H](C)C(C)C)n1 37980614 169000980 /nfs/dbraw/zinc/00/09/80/169000980.db2.gz YSDBOBBZGYORIF-ZETCQYMHSA-N 0 1 183.255 1.512 10 0 ADAEMN Cc1noc(CNCC2CCCC2)n1 42375024 169001067 /nfs/dbraw/zinc/00/10/67/169001067.db2.gz PTOSCNXQXVBBJN-UHFFFAOYSA-N 0 1 195.266 1.658 10 0 ADAEMN Cc1noc(CN2CC[C@H](C)[C@@H]2C)n1 335294434 169001187 /nfs/dbraw/zinc/00/11/87/169001187.db2.gz AEJMNERJAWXMMN-YUMQZZPRSA-N 0 1 195.266 1.608 10 0 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Cc1noc(CN2CC[C@@H](C)[C@@H]2C)n1 335294432 169001885 /nfs/dbraw/zinc/00/18/85/169001885.db2.gz AEJMNERJAWXMMN-SFYZADRCSA-N 0 1 195.266 1.608 10 0 ADAEMN Cc1noc(CN2CC[C@@H](C)[C@H]2C)n1 335294420 169002204 /nfs/dbraw/zinc/00/22/04/169002204.db2.gz AEJMNERJAWXMMN-HTQZYQBOSA-N 0 1 195.266 1.608 10 0 ADAEMN Cc1noc(CNCC(C)(C)C)n1 41051453 169002252 /nfs/dbraw/zinc/00/22/52/169002252.db2.gz ASOLADGINYZBPR-UHFFFAOYSA-N 0 1 183.255 1.514 10 0 ADAEMN Cc1noc([C@]2(N)CCC[C@@H](C)C2)n1 41035630 169002545 /nfs/dbraw/zinc/00/25/45/169002545.db2.gz KDLJCJKSPISULQ-XCBNKYQSSA-N 0 1 195.266 1.742 10 0 ADAEMN Cc1noc([C@H]2CC[N@@H+](C)[C@@H](C)C2)n1 334915450 169002842 /nfs/dbraw/zinc/00/28/42/169002842.db2.gz WJUSTSBQMSKIOC-CBAPKCEASA-N 0 1 195.266 1.576 10 0 ADAEMN Cc1noc([C@@]2(N)CCC[C@H](C)C2)n1 41035629 169003175 /nfs/dbraw/zinc/00/31/75/169003175.db2.gz KDLJCJKSPISULQ-OIBJUYFYSA-N 0 1 195.266 1.742 10 0 ADAEMN Cc1noc([C@H](C)N)c1C 82838077 169003184 /nfs/dbraw/zinc/00/31/84/169003184.db2.gz XCLYTMBKDCCAFY-YFKPBYRVSA-N 0 1 140.186 1.311 10 0 ADAEMN Cc1noc([C@@]2(N)CCC[C@@H](C)C2)n1 41035631 169003402 /nfs/dbraw/zinc/00/34/02/169003402.db2.gz KDLJCJKSPISULQ-GMSGAONNSA-N 0 1 195.266 1.742 10 0 ADAEMN Cc1noc([C@H]2CCC[N@H+](C)C2)n1 26637494 169003462 /nfs/dbraw/zinc/00/34/62/169003462.db2.gz SFVPLZFEKXTVKA-QMMMGPOBSA-N 0 1 181.239 1.187 10 0 ADAEMN Cc1noc([C@]2(N)CCC[C@H](C)C2)n1 41035628 169003537 /nfs/dbraw/zinc/00/35/37/169003537.db2.gz KDLJCJKSPISULQ-XVKPBYJWSA-N 0 1 195.266 1.742 10 0 ADAEMN Cc1nocc1CN[C@@H]1CO[C@H](C)C1 335426234 169004215 /nfs/dbraw/zinc/00/42/15/169004215.db2.gz RAVOJTORVBDFIS-XCBNKYQSSA-N 0 1 196.250 1.250 10 0 ADAEMN Cc1nocc1CN[C@@H]1CO[C@@H](C)C1 335426235 169004248 /nfs/dbraw/zinc/00/42/48/169004248.db2.gz RAVOJTORVBDFIS-XVKPBYJWSA-N 0 1 196.250 1.250 10 0 ADAEMN Cc1nocc1CN1CC[C@@H]1C1CC1 336216393 169004416 /nfs/dbraw/zinc/00/44/16/169004416.db2.gz YCJJVPLXMDMTBP-LLVKDONJSA-N 0 1 192.262 1.967 10 0 ADAEMN Cc1nocc1CN[C@@]1(C)CCOC1 307159270 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335426233 169005065 /nfs/dbraw/zinc/00/50/65/169005065.db2.gz RAVOJTORVBDFIS-OIBJUYFYSA-N 0 1 196.250 1.250 10 0 ADAEMN Cc1nocc1CN[C@H]1CCCOC1 306727999 169005103 /nfs/dbraw/zinc/00/51/03/169005103.db2.gz NCDFCDJHDAMOOF-JTQLQIEISA-N 0 1 196.250 1.252 10 0 ADAEMN Cc1nocc1CN1CC[C@H]1C1CC1 336216394 169005937 /nfs/dbraw/zinc/00/59/37/169005937.db2.gz YCJJVPLXMDMTBP-NSHDSACASA-N 0 1 192.262 1.967 10 0 ADAEMN Cc1oc(-c2ccccn2)nc1CN 71500359 169006541 /nfs/dbraw/zinc/00/65/41/169006541.db2.gz NJOQAOLMJPDUTI-UHFFFAOYSA-N 0 1 189.218 1.504 10 0 ADAEMN Cc1oc(C2CC2)nc1CN 82631845 169006779 /nfs/dbraw/zinc/00/67/79/169006779.db2.gz RXXPTBUNABTDMR-UHFFFAOYSA-N 0 1 152.197 1.319 10 0 in-vitro ADAEMN Cc1oc(C(C)C)nc1CN 82631991 169007590 /nfs/dbraw/zinc/00/75/90/169007590.db2.gz ZOFKORBWRWSFMI-UHFFFAOYSA-N 0 1 154.213 1.565 10 0 ADAEMN Cc1oc(C(C)(C)C)nc1CN 82633266 169007668 /nfs/dbraw/zinc/00/76/68/169007668.db2.gz PIVYCRIQCUQBKV-UHFFFAOYSA-N 0 1 168.240 1.739 10 0 ADAEMN Cc1nsc2nc[nH]c12 27872356 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/nfs/dbraw/zinc/00/97/36/169009736.db2.gz RVLOPPPWSOHHIK-ZETCQYMHSA-N 0 1 167.208 1.033 10 0 ADAEMN Cc1oc(CN)cc1COC(C)C 52626769 169009779 /nfs/dbraw/zinc/00/97/79/169009779.db2.gz BTKNMEHZIYOZIZ-UHFFFAOYSA-N 0 1 183.251 1.972 10 0 ADAEMN Cc1oc2c(c1C)[C@H](O)CNC2 76595879 169009995 /nfs/dbraw/zinc/00/99/95/169009995.db2.gz RVLOPPPWSOHHIK-SSDOTTSWSA-N 0 1 167.208 1.033 10 0 ADAEMN Cc1occc1-c1nc(CN)co1 82634503 169010047 /nfs/dbraw/zinc/01/00/47/169010047.db2.gz QJMLONCIIPDJQA-UHFFFAOYSA-N 0 1 178.191 1.702 10 0 ADAEMN Cc1oc(CN)cc1Cn1ccnc1 52575436 169010152 /nfs/dbraw/zinc/01/01/52/169010152.db2.gz HQEHXGMZTZSAHF-UHFFFAOYSA-N 0 1 191.234 1.292 10 0 ADAEMN Cc1occc1[C@@H](N)c1cnn(C)c1 35381562 169011939 /nfs/dbraw/zinc/01/19/39/169011939.db2.gz BDWSXWBIVBCNKS-JTQLQIEISA-N 0 1 191.234 1.370 10 0 ADAEMN Cc1occc1[C@H](N)c1cnn(C)c1 35381560 169012125 /nfs/dbraw/zinc/01/21/25/169012125.db2.gz BDWSXWBIVBCNKS-SNVBAGLBSA-N 0 1 191.234 1.370 10 0 ADAEMN Cc1onc2c1CN[C@@H](C)C2 82407675 169012577 /nfs/dbraw/zinc/01/25/77/169012577.db2.gz QISRNTYVOIKTIX-YFKPBYRVSA-N 0 1 152.197 1.017 10 0 ADAEMN Cc1oncc1C1N=NC(=S)O1 34964296 169012624 /nfs/dbraw/zinc/01/26/24/169012624.db2.gz DMAZUYOWKQWAIA-UHFFFAOYSA-N 0 1 183.192 1.322 10 0 ADAEMN Cc1oncc1-c1nc([C@H](C)N)no1 41052286 169012780 /nfs/dbraw/zinc/01/27/80/169012780.db2.gz QABRNXFEVIIKCY-BYPYZUCNSA-N 0 1 194.194 1.053 10 0 ADAEMN Cc1onc2c1CN[C@H](C)C2 82407676 169013667 /nfs/dbraw/zinc/01/36/67/169013667.db2.gz QISRNTYVOIKTIX-RXMQYKEDSA-N 0 1 152.197 1.017 10 0 ADAEMN Cc1oncc1-c1nc([C@@H](C)N)no1 41052285 169014011 /nfs/dbraw/zinc/01/40/11/169014011.db2.gz QABRNXFEVIIKCY-SCSAIBSYSA-N 0 1 194.194 1.053 10 0 ADAEMN Cc1sc(N)c(-c2nnc[nH]2)c1C 104454502 169014700 /nfs/dbraw/zinc/01/47/00/169014700.db2.gz CGASRAYEPCAODW-UHFFFAOYSA-N 0 1 194.263 1.732 10 0 ADAEMN Cc1sc2nnc([C@@H](C)N)n2c1C 58021014 169014764 /nfs/dbraw/zinc/01/47/64/169014764.db2.gz ZZQQYLZJTIUGGJ-SCSAIBSYSA-N 0 1 196.279 1.427 10 0 ADAEMN Cc1sc2nnc([C@H](C)N)n2c1C 58021015 169015505 /nfs/dbraw/zinc/01/55/05/169015505.db2.gz ZZQQYLZJTIUGGJ-BYPYZUCNSA-N 0 1 196.279 1.427 10 0 ADAEMN Cc1sc2cnc(CN)n2c1C 82395640 169015619 /nfs/dbraw/zinc/01/56/19/169015619.db2.gz ALLMITNKYIFHAF-UHFFFAOYSA-N 0 1 181.264 1.471 10 0 ADAEMN Clc1nccc2[nH]cnc12 100722143 169021232 /nfs/dbraw/zinc/02/12/32/169021232.db2.gz OBOSHLXHEOYIBU-UHFFFAOYSA-N 0 1 153.572 1.563 10 0 ADAEMN Clc1cc(-c2cn[nH]n2)ccn1 95560870 169021282 /nfs/dbraw/zinc/02/12/82/169021282.db2.gz DUAFYICEECKVTE-UHFFFAOYSA-N 0 1 180.598 1.520 10 0 ADAEMN Clc1cccc([C@@H]2CNCCO2)n1 34321330 169024418 /nfs/dbraw/zinc/02/44/18/169024418.db2.gz SCIMOCJYBGRBRA-QMMMGPOBSA-N 0 1 198.653 1.396 10 0 ADAEMN Clc1cccc([C@@H]2NCCO2)c1 49805878 169024668 /nfs/dbraw/zinc/02/46/68/169024668.db2.gz RYKWHBJUCYTZEQ-SECBINFHSA-N 0 1 183.638 1.958 10 0 ADAEMN Clc1cccc([C@H]2CNCCO2)n1 34321331 169025534 /nfs/dbraw/zinc/02/55/34/169025534.db2.gz SCIMOCJYBGRBRA-MRVPVSSYSA-N 0 1 198.653 1.396 10 0 ADAEMN Clc1cccc([C@H]2NCCO2)c1 49805879 169025801 /nfs/dbraw/zinc/02/58/01/169025801.db2.gz RYKWHBJUCYTZEQ-VIFPVBQESA-N 0 1 183.638 1.958 10 0 ADAEMN Clc1ccnc2c1CNCC2 88189775 169026415 /nfs/dbraw/zinc/02/64/15/169026415.db2.gz PRMATSCVQMXMBF-UHFFFAOYSA-N 0 1 168.627 1.381 10 0 ADAEMN Clc1ncccc1CNC1CC1 83340752 169028227 /nfs/dbraw/zinc/02/82/27/169028227.db2.gz QIWXITYYDJOPLM-UHFFFAOYSA-N 0 1 182.654 1.987 10 0 ADAEMN Cn1c(-c2ccccc2)cnc1CN 75844880 169029098 /nfs/dbraw/zinc/02/90/98/169029098.db2.gz MSWCIOQPOSMHAL-UHFFFAOYSA-N 0 1 187.246 1.546 10 0 ADAEMN Cn1c(C2CC2)nc2c1NCCC2 106489025 169031840 /nfs/dbraw/zinc/03/18/40/169031840.db2.gz WFLUWDMZTQMGGJ-UHFFFAOYSA-N 0 1 177.251 1.656 10 0 ADAEMN Cn1c(Cl)cnc1CNC1CCC1 52210406 169032566 /nfs/dbraw/zinc/03/25/66/169032566.db2.gz NOFXJVIYGXCUKI-UHFFFAOYSA-N 0 1 199.685 1.716 10 0 ADAEMN Cn1c(CN)nnc1C1CCCCC1 57489536 169032690 /nfs/dbraw/zinc/03/26/90/169032690.db2.gz AJPSTNYKBHUKGN-UHFFFAOYSA-N 0 1 194.282 1.322 10 0 ADAEMN Cn1c(N)nc2ccc(Cl)cc21 28640270 169033349 /nfs/dbraw/zinc/03/33/49/169033349.db2.gz NSJJFVCJPRXNRE-UHFFFAOYSA-N 0 1 181.626 1.809 10 0 ADAEMN Cn1c(CN)nc2c(F)cccc21 37442470 169033492 /nfs/dbraw/zinc/03/34/92/169033492.db2.gz JYYLMCMPKNWHGX-UHFFFAOYSA-N 0 1 179.198 1.171 10 0 ADAEMN Cn1cc(-c2ccccc2)nc1CN 82636005 169034408 /nfs/dbraw/zinc/03/44/08/169034408.db2.gz ACJGTTDKXBKEFE-UHFFFAOYSA-N 0 1 187.246 1.546 10 0 ADAEMN Cn1cc(-c2ccc(CN)o2)cn1 82634412 169034812 /nfs/dbraw/zinc/03/48/12/169034812.db2.gz HCTQTXQGHJWMNR-UHFFFAOYSA-N 0 1 177.207 1.139 10 0 ADAEMN Cn1c2c(c3cnccc31)NCC2 82399709 169035071 /nfs/dbraw/zinc/03/50/71/169035071.db2.gz IJLFKFKOEDWREN-UHFFFAOYSA-N 0 1 173.219 1.541 10 0 ADAEMN Cn1cc(-c2n[nH]c(C3CC3)n2)cn1 41057716 169036189 /nfs/dbraw/zinc/03/61/89/169036189.db2.gz AOJPRDWPFAUVBP-UHFFFAOYSA-N 0 1 189.222 1.083 10 0 ADAEMN Cn1cc(-c2nc(C3CC3)n[nH]2)cn1 41057716 169036192 /nfs/dbraw/zinc/03/61/92/169036192.db2.gz AOJPRDWPFAUVBP-UHFFFAOYSA-N 0 1 189.222 1.083 10 0 ADAEMN Cn1cc(-c2csc(CN)n2)cn1 41656965 169037020 /nfs/dbraw/zinc/03/70/20/169037020.db2.gz SKUJZWZKNFXCDT-UHFFFAOYSA-N 0 1 194.263 1.002 10 0 ADAEMN Cn1cc(CNCc2ccc[nH]2)cn1 20351146 169037913 /nfs/dbraw/zinc/03/79/13/169037913.db2.gz UNMODCHVHNDJBK-UHFFFAOYSA-N 0 1 190.250 1.038 10 0 ADAEMN Cn1cc(CN2CCC23CCC3)cn1 336486025 169038031 /nfs/dbraw/zinc/03/80/31/169038031.db2.gz ACZFRZWXIJQINR-UHFFFAOYSA-N 0 1 191.278 1.549 10 0 ADAEMN Cn1cc(C=O)c2cnccc21 34278422 169038299 /nfs/dbraw/zinc/03/82/99/169038299.db2.gz KFIHPDWYJDXDOB-UHFFFAOYSA-N 0 1 160.176 1.386 10 0 ADAEMN Cn1cc(CN2CCCC2(C)C)nn1 334140844 169038779 /nfs/dbraw/zinc/03/87/79/169038779.db2.gz IHRHZZYLLBJLRD-UHFFFAOYSA-N 0 1 194.282 1.190 10 0 ADAEMN Cn1cc(C[C@@H](N)c2ccco2)cn1 54446363 169039425 /nfs/dbraw/zinc/03/94/25/169039425.db2.gz AQYPEWOQPXFHHM-SECBINFHSA-N 0 1 191.234 1.256 10 0 ADAEMN Cn1cc(N2CCCCC2=N)cn1 49584229 169039533 /nfs/dbraw/zinc/03/95/33/169039533.db2.gz QEGBILDQSGHUEW-UHFFFAOYSA-N 0 1 178.239 1.388 10 0 ADAEMN Cn1cc(N)c2cnccc21 82408869 169039959 /nfs/dbraw/zinc/03/99/59/169039959.db2.gz VJOXVORJAKOYMY-UHFFFAOYSA-N 0 1 147.181 1.156 10 0 ADAEMN Cn1cc(C[C@H](N)c2ccco2)cn1 54446359 169040316 /nfs/dbraw/zinc/04/03/16/169040316.db2.gz AQYPEWOQPXFHHM-VIFPVBQESA-N 0 1 191.234 1.256 10 0 ADAEMN Cn1cc([C@@H](N)c2cccs2)cn1 35381565 169041109 /nfs/dbraw/zinc/04/11/09/169041109.db2.gz MPQBYWZSDGLDOZ-SECBINFHSA-N 0 1 193.275 1.530 10 0 ADAEMN Cn1cc([C@H](N)c2ccoc2)cn1 35381528 169041138 /nfs/dbraw/zinc/04/11/38/169041138.db2.gz GUSLJAYDVHLFOX-SECBINFHSA-N 0 1 177.207 1.061 10 0 ADAEMN CN1CC(=O)c2ccccc21 103549803 169041427 /nfs/dbraw/zinc/04/14/27/169041427.db2.gz CGLJIJABFUYKIL-UHFFFAOYSA-N 0 1 147.177 1.884 10 0 in-vitro ADAEMN Cn1cc([C@H](N)c2cccs2)cn1 35381563 169042317 /nfs/dbraw/zinc/04/23/17/169042317.db2.gz MPQBYWZSDGLDOZ-VIFPVBQESA-N 0 1 193.275 1.530 10 0 ADAEMN Cn1cc([C@@H](N)c2ccoc2)cn1 35381530 169042512 /nfs/dbraw/zinc/04/25/12/169042512.db2.gz GUSLJAYDVHLFOX-VIFPVBQESA-N 0 1 177.207 1.061 10 0 ADAEMN Cn1ccc(-c2cc(CN)no2)c1 82529420 169043009 /nfs/dbraw/zinc/04/30/09/169043009.db2.gz SYQOZEXLLNVLTB-UHFFFAOYSA-N 0 1 177.207 1.139 10 0 ADAEMN Cn1ccc(-c2cc(=O)[nH][nH]2)c1 82522602 169043763 /nfs/dbraw/zinc/04/37/63/169043763.db2.gz RCFGWXYFJKVXFM-UHFFFAOYSA-N 0 1 163.180 1.121 10 0 ADAEMN Cn1ccc(-c2csc(CN)n2)c1 71506408 169043928 /nfs/dbraw/zinc/04/39/28/169043928.db2.gz YDZVSRWGPHLADA-UHFFFAOYSA-N 0 1 193.275 1.607 10 0 ADAEMN Cn1ccc(CN2CCCC2)n1 307183424 169044707 /nfs/dbraw/zinc/04/47/07/169044707.db2.gz YAAXWPLAYOJUNQ-UHFFFAOYSA-N 0 1 165.240 1.016 10 0 ADAEMN Cn1ccc([C@H]2COCC(C)(C)N2)c1 71506821 169046399 /nfs/dbraw/zinc/04/63/99/169046399.db2.gz SLBFSCALDGHLHW-SNVBAGLBSA-N 0 1 194.278 1.465 10 0 ADAEMN Cn1ccc([C@@H]2COCC(C)(C)N2)c1 71506822 169047133 /nfs/dbraw/zinc/04/71/33/169047133.db2.gz SLBFSCALDGHLHW-JTQLQIEISA-N 0 1 194.278 1.465 10 0 ADAEMN Cn1cccc1CNCc1cn[nH]c1 50596063 169049385 /nfs/dbraw/zinc/04/93/85/169049385.db2.gz HTFBWAYKZZNCGV-UHFFFAOYSA-N 0 1 190.250 1.038 10 0 ADAEMN Cn1cccc1[C@@H](N)c1ccccn1 11737248 169049620 /nfs/dbraw/zinc/04/96/20/169049620.db2.gz ZZHXQNYRRWMORC-NSHDSACASA-N 0 1 187.246 1.468 10 0 ADAEMN Cn1cccc1[C@H](N)c1ccccn1 11737249 169049750 /nfs/dbraw/zinc/04/97/50/169049750.db2.gz ZZHXQNYRRWMORC-LLVKDONJSA-N 0 1 187.246 1.468 10 0 ADAEMN Cn1ccnc1NCC(F)(F)F 50605692 169050741 /nfs/dbraw/zinc/05/07/41/169050741.db2.gz COXMAJSVWMXCDA-UHFFFAOYSA-N 0 1 179.145 1.394 10 0 ADAEMN Cn1ccnc1CN[C@H]1CC12CC2 335285492 169050831 /nfs/dbraw/zinc/05/08/31/169050831.db2.gz XYEMEWNASBZKED-QMMMGPOBSA-N 0 1 177.251 1.062 10 0 ADAEMN Cn1ccnc1CN[C@@H]1CCSC1 70852829 169051037 /nfs/dbraw/zinc/05/10/37/169051037.db2.gz DJAUUKFZROFOJQ-MRVPVSSYSA-N 0 1 197.307 1.015 10 0 ADAEMN Cn1ccnc1-c1csc(CN)n1 41657110 169051129 /nfs/dbraw/zinc/05/11/29/169051129.db2.gz XRAYMTYTLYIOLQ-UHFFFAOYSA-N 0 1 194.263 1.002 10 0 ADAEMN Cn1ccnc1CN[C@@H]1CC12CC2 335285491 169051203 /nfs/dbraw/zinc/05/12/03/169051203.db2.gz XYEMEWNASBZKED-MRVPVSSYSA-N 0 1 177.251 1.062 10 0 ADAEMN Cn1ccnc1CN1CCCCCC1 257866433 169051324 /nfs/dbraw/zinc/05/13/24/169051324.db2.gz HBFRNPJOUHXKHK-UHFFFAOYSA-N 0 1 193.294 1.796 10 0 ADAEMN Cn1ccnc1CN[C@H]1CCSC1 70852835 169051418 /nfs/dbraw/zinc/05/14/18/169051418.db2.gz DJAUUKFZROFOJQ-QMMMGPOBSA-N 0 1 197.307 1.015 10 0 ADAEMN Cn1ccnc1CN1CCC(C)(C)C1 336556104 169051917 /nfs/dbraw/zinc/05/19/17/169051917.db2.gz DHYQNVDNQQVKMY-UHFFFAOYSA-N 0 1 193.294 1.652 10 0 ADAEMN Cn1ccnc1NC1(CO)CCCC1 53070866 169052486 /nfs/dbraw/zinc/05/24/86/169052486.db2.gz WQKHGLOHRUNPTH-UHFFFAOYSA-N 0 1 195.266 1.137 10 0 ADAEMN Cn1ccnc1NCc1ccco1 8699320 169054086 /nfs/dbraw/zinc/05/40/86/169054086.db2.gz QRUMZTZJIDKHJG-UHFFFAOYSA-N 0 1 177.207 1.625 10 0 ADAEMN Cn1ccnc1NCc1nccs1 50606266 169054370 /nfs/dbraw/zinc/05/43/70/169054370.db2.gz RPDVLWLAWCTJGR-UHFFFAOYSA-N 0 1 194.263 1.489 10 0 ADAEMN Cn1cnc(C(C)(C)C)c1N 104847395 169054424 /nfs/dbraw/zinc/05/44/24/169054424.db2.gz FUQITWLWRAQAOW-UHFFFAOYSA-N 0 1 153.229 1.300 10 0 ADAEMN Cn1cnc2c(N=O)c(O)ccc21 100177121 169055354 /nfs/dbraw/zinc/05/53/54/169055354.db2.gz UGXKEMXRIUJJDK-UHFFFAOYSA-N 0 1 177.163 1.677 10 0 ADAEMN Cn1cnc(C2CCCC2)c1N 104847401 169056336 /nfs/dbraw/zinc/05/63/36/169056336.db2.gz YAKOLYOXAGEHGF-UHFFFAOYSA-N 0 1 165.240 1.660 10 0 ADAEMN Cn1cnc(CC(C)(C)C)c1N 104932881 169056570 /nfs/dbraw/zinc/05/65/70/169056570.db2.gz OYMYGVOHYNJIFB-UHFFFAOYSA-N 0 1 167.256 1.591 10 0 ADAEMN Cn1cnc(Cc2ccccc2)c1N 104902234 169056586 /nfs/dbraw/zinc/05/65/86/169056586.db2.gz QAOWMXXTJPCBEY-UHFFFAOYSA-N 0 1 187.246 1.593 10 0 ADAEMN Cn1cnc2c(O)c(C=O)ccc21 82398870 169056837 /nfs/dbraw/zinc/05/68/37/169056837.db2.gz AVMVVTVEMPOYPN-UHFFFAOYSA-N 0 1 176.175 1.091 10 0 ADAEMN Cn1cncc1CN1CCC12CCC2 336486105 169058700 /nfs/dbraw/zinc/05/87/00/169058700.db2.gz NJUXDYDTQJYPLG-UHFFFAOYSA-N 0 1 191.278 1.549 10 0 ADAEMN Cn1nc(CN)nc1C1CCCCC1 82530856 169060841 /nfs/dbraw/zinc/06/08/41/169060841.db2.gz IXNQXMGHTPWHGR-UHFFFAOYSA-N 0 1 194.282 1.322 10 0 ADAEMN Cn1[nH]c(C(C)(C)C)cc1=O 101249037 169061232 /nfs/dbraw/zinc/06/12/32/169061232.db2.gz CSGJKXZOVPEBBJ-UHFFFAOYSA-N 0 1 154.213 1.423 10 0 ADAEMN Cn1nc([C@H]2CCCN2)nc1C1CC1 82530627 169063023 /nfs/dbraw/zinc/06/30/23/169063023.db2.gz SYMFVAVOZVMBNR-MRVPVSSYSA-N 0 1 192.266 1.117 10 0 ADAEMN Cn1nc([C@@H]2CCCN2)nc1C1CC1 82530626 169063100 /nfs/dbraw/zinc/06/31/00/169063100.db2.gz SYMFVAVOZVMBNR-QMMMGPOBSA-N 0 1 192.266 1.117 10 0 ADAEMN Cn1ncnc1CN1CCCC1(C)C 336555481 169067214 /nfs/dbraw/zinc/06/72/14/169067214.db2.gz MFXVSXACDRLAPX-UHFFFAOYSA-N 0 1 194.282 1.190 10 0 ADAEMN FC(F)(F)Cc1n[nH]c(=S)[nH]1 37404890 169071065 /nfs/dbraw/zinc/07/10/65/169071065.db2.gz GMZSPLYKSGVBTG-UHFFFAOYSA-N 0 1 183.158 1.198 10 0 ADAEMN FC(F)(F)N[C@H]1CCN(C2CC2)C1 95076956 169071164 /nfs/dbraw/zinc/07/11/64/169071164.db2.gz LGQSAGZCAHHYAK-LURJTMIESA-N 0 1 194.200 1.333 10 0 ADAEMN FC(F)(F)N[C@@H]1CCN(C2CC2)C1 95076952 169071709 /nfs/dbraw/zinc/07/17/09/169071709.db2.gz LGQSAGZCAHHYAK-ZCFIWIBFSA-N 0 1 194.200 1.333 10 0 ADAEMN FC(F)(F)c1cnc[nH]1 103648155 169072748 /nfs/dbraw/zinc/07/27/48/169072748.db2.gz OATHURRGZFNOBF-GSVOUGTGSA-N 0 1 136.076 1.030 10 0 ADAEMN FC(F)CN[C@H]1CCN(C2CC2)C1 44721371 169074514 /nfs/dbraw/zinc/07/45/14/169074514.db2.gz QRFWUSHWUWVNAM-ZETCQYMHSA-N 0 1 190.237 1.078 10 0 ADAEMN FC(F)CNCCN1CCCCC1 49575189 169074752 /nfs/dbraw/zinc/07/47/52/169074752.db2.gz VOMYFAMGWWKFKX-UHFFFAOYSA-N 0 1 192.253 1.327 10 0 ADAEMN FC1(F)C[C@H]2CN[C@@H]1C2 91305862 169076777 /nfs/dbraw/zinc/07/67/77/169076777.db2.gz MCNXKBJSQXDOCG-CRCLSJGQSA-N 0 1 133.141 1.004 10 0 ADAEMN FCCCN1CCOCC12CCC2 306208170 169077414 /nfs/dbraw/zinc/07/74/14/169077414.db2.gz BCFVOECZHDPUHF-UHFFFAOYSA-N 0 1 187.258 1.601 10 0 ADAEMN FC[C@H]1CCCN1Cc1cnc[nH]1 307230059 169077491 /nfs/dbraw/zinc/07/74/91/169077491.db2.gz CXIHEJHFKBNGPF-SECBINFHSA-N 0 1 183.230 1.344 10 0 ADAEMN FC[C@@H]1CN([C@@H]2C=CCCC2)CCO1 336279827 169077824 /nfs/dbraw/zinc/07/78/24/169077824.db2.gz DEAWZCWLDFRHMG-GHMZBOCLSA-N 0 1 199.269 1.765 10 0 ADAEMN FCC1CN(Cc2ccncc2)C1 335248240 169078081 /nfs/dbraw/zinc/07/80/81/169078081.db2.gz LIPNJBURIRNONV-UHFFFAOYSA-N 0 1 180.226 1.483 10 0 ADAEMN FCCN[C@@H]1CCCc2n[nH]cc21 307188528 169078247 /nfs/dbraw/zinc/07/82/47/169078247.db2.gz BPJDPFOHMBLPIC-MRVPVSSYSA-N 0 1 183.230 1.346 10 0 ADAEMN FCCN[C@H]1CCCc2n[nH]cc21 307188530 169078254 /nfs/dbraw/zinc/07/82/54/169078254.db2.gz BPJDPFOHMBLPIC-QMMMGPOBSA-N 0 1 183.230 1.346 10 0 ADAEMN FC[C@@H]1Cc2ccccc2CN1 13606976 169078421 /nfs/dbraw/zinc/07/84/21/169078421.db2.gz SLBKHMRNZGCZIO-JTQLQIEISA-N 0 1 165.211 1.670 10 0 in-vivo ADAEMN FCCCN1C[C@@H]2CC[C@H](C1)O2 306928373 169078607 /nfs/dbraw/zinc/07/86/07/169078607.db2.gz XXLXTBOETVDYAN-DTORHVGOSA-N 0 1 173.231 1.209 10 0 ADAEMN FC[C@@H]1CCCN1Cc1cnc[nH]1 307230065 169078680 /nfs/dbraw/zinc/07/86/80/169078680.db2.gz CXIHEJHFKBNGPF-VIFPVBQESA-N 0 1 183.230 1.344 10 0 ADAEMN FC[C@@H]1CN([C@H]2C=CCCC2)CCO1 336279830 169078918 /nfs/dbraw/zinc/07/89/18/169078918.db2.gz DEAWZCWLDFRHMG-WDEREUQCSA-N 0 1 199.269 1.765 10 0 ADAEMN FCCCN1CCn2ccnc2C1 307666224 169079138 /nfs/dbraw/zinc/07/91/38/169079138.db2.gz MOXQBJFSINCLIT-UHFFFAOYSA-N 0 1 183.230 1.058 10 0 ADAEMN FC[C@H]1CN([C@H]2C=CCCC2)CCO1 336279829 169079905 /nfs/dbraw/zinc/07/99/05/169079905.db2.gz DEAWZCWLDFRHMG-QWRGUYRKSA-N 0 1 199.269 1.765 10 0 ADAEMN FC[C@H]1CN([C@@H]2C=CCCC2)CCO1 336279828 169079964 /nfs/dbraw/zinc/07/99/64/169079964.db2.gz DEAWZCWLDFRHMG-MNOVXSKESA-N 0 1 199.269 1.765 10 0 ADAEMN FC[C@H]1Cc2ccccc2CN1 13606979 169080041 /nfs/dbraw/zinc/08/00/41/169080041.db2.gz SLBKHMRNZGCZIO-SNVBAGLBSA-N 0 1 165.211 1.670 10 0 in-vivo ADAEMN F[C@H]1CNCc2ccccc2C1 1433196 169080810 /nfs/dbraw/zinc/08/08/10/169080810.db2.gz XVQUOOXMNLIXQB-SNVBAGLBSA-N 0 1 165.211 1.670 10 0 ADAEMN Fc1cc2[nH]cnc2cn1 18544356 169081207 /nfs/dbraw/zinc/08/12/07/169081207.db2.gz JKNBSBFQFBFVPU-UHFFFAOYSA-N 0 1 137.117 1.097 10 0 ADAEMN Fc1cc2c(c(F)c1F)CNCC2 62707481 169081562 /nfs/dbraw/zinc/08/15/62/169081562.db2.gz ZKJWTLXETCFLQM-UHFFFAOYSA-N 0 1 187.164 1.750 10 0 ADAEMN Fc1ccc(F)c([C@H]2CNCCO2)c1 37405079 169082958 /nfs/dbraw/zinc/08/29/58/169082958.db2.gz ALRDABGSKHNYTA-SNVBAGLBSA-N 0 1 199.200 1.626 10 0 ADAEMN Fc1ccc(F)c([C@@H]2CNCO2)c1 82529867 169082988 /nfs/dbraw/zinc/08/29/88/169082988.db2.gz GQRQPWCEFLUROC-VIFPVBQESA-N 0 1 185.173 1.583 10 0 ADAEMN Fc1ccc(F)c([C@H]2CNCO2)c1 82529868 169083042 /nfs/dbraw/zinc/08/30/42/169083042.db2.gz GQRQPWCEFLUROC-SECBINFHSA-N 0 1 185.173 1.583 10 0 ADAEMN Fc1ccc(F)c([C@@H]2CNCCO2)c1 37405078 169083765 /nfs/dbraw/zinc/08/37/65/169083765.db2.gz ALRDABGSKHNYTA-JTQLQIEISA-N 0 1 199.200 1.626 10 0 ADAEMN Fc1ccc2c(c1)nc1n2CCNC1 82889136 169084661 /nfs/dbraw/zinc/08/46/61/169084661.db2.gz WJMLJHDBYRQGJZ-UHFFFAOYSA-N 0 1 191.209 1.279 10 0 ADAEMN Fc1ccc([C@@H]2NCCCO2)cc1 49805684 169084998 /nfs/dbraw/zinc/08/49/98/169084998.db2.gz YGQWTLLDGFCHOY-SNVBAGLBSA-N 0 1 181.210 1.834 10 0 ADAEMN Fc1ccc([C@H]2NCCO2)cc1 49804871 169085025 /nfs/dbraw/zinc/08/50/25/169085025.db2.gz UGHHQENBQQGGTK-VIFPVBQESA-N 0 1 167.183 1.444 10 0 ADAEMN Fc1ccc([C@@H]2NCCO2)cc1 49804870 169085160 /nfs/dbraw/zinc/08/51/60/169085160.db2.gz UGHHQENBQQGGTK-SECBINFHSA-N 0 1 167.183 1.444 10 0 ADAEMN Fc1ccc2c(c1)CCN=C2 39088362 169085168 /nfs/dbraw/zinc/08/51/68/169085168.db2.gz YJYBBTWKMTXJCK-UHFFFAOYSA-N 0 1 149.168 1.801 10 0 ADAEMN Fc1ccc([C@H]2NCCCO2)cc1 49805685 169085240 /nfs/dbraw/zinc/08/52/40/169085240.db2.gz YGQWTLLDGFCHOY-JTQLQIEISA-N 0 1 181.210 1.834 10 0 ADAEMN Fc1cccc(F)c1NC1=NCCN1 26170781 169085690 /nfs/dbraw/zinc/08/56/90/169085690.db2.gz IUWWOCDHDVOZOJ-UHFFFAOYSA-N 0 1 197.188 1.336 10 0 ADAEMN Fc1cccc(-c2cn[nH]n2)c1 95564261 169085963 /nfs/dbraw/zinc/08/59/63/169085963.db2.gz WNANQHRGHUEEFC-UHFFFAOYSA-N 0 1 163.155 1.611 10 0 ADAEMN Fc1cccc(F)c1[C@@H]1CNCCO1 37405120 169086169 /nfs/dbraw/zinc/08/61/69/169086169.db2.gz YJJQDCBGUYSFBK-VIFPVBQESA-N 0 1 199.200 1.626 10 0 ADAEMN Fc1cccc(F)c1[C@H]1CNCCO1 37405121 169086690 /nfs/dbraw/zinc/08/66/90/169086690.db2.gz YJJQDCBGUYSFBK-SECBINFHSA-N 0 1 199.200 1.626 10 0 ADAEMN Fc1ccccc1C1=NCCN1 13806060 169087348 /nfs/dbraw/zinc/08/73/48/169087348.db2.gz ZSLVJWBCLUSUOC-UHFFFAOYSA-N 0 1 164.183 1.176 10 0 ADAEMN Fc1cccc([C@H]2NCCCO2)c1 71498724 169087427 /nfs/dbraw/zinc/08/74/27/169087427.db2.gz KMHBWSNIDKAOEB-JTQLQIEISA-N 0 1 181.210 1.834 10 0 ADAEMN Fc1cccc([C@@H]2NCCCO2)c1 71498722 169087640 /nfs/dbraw/zinc/08/76/40/169087640.db2.gz KMHBWSNIDKAOEB-SNVBAGLBSA-N 0 1 181.210 1.834 10 0 ADAEMN Fc1cccc([C@@H]2NCCO2)c1 71496135 169087947 /nfs/dbraw/zinc/08/79/47/169087947.db2.gz PRUDTXVPGORRGZ-SECBINFHSA-N 0 1 167.183 1.444 10 0 ADAEMN Fc1cccc([C@H]2NCCO2)c1 71496137 169088127 /nfs/dbraw/zinc/08/81/27/169088127.db2.gz PRUDTXVPGORRGZ-VIFPVBQESA-N 0 1 167.183 1.444 10 0 ADAEMN Fc1cnccc1CN[C@H]1CC12CC2 335283264 169088720 /nfs/dbraw/zinc/08/87/20/169088720.db2.gz YUBFEWBWMORKMJ-JTQLQIEISA-N 0 1 192.237 1.863 10 0 ADAEMN Fc1cnccc1CN[C@@H]1CC12CC2 335283265 169089158 /nfs/dbraw/zinc/08/91/58/169089158.db2.gz YUBFEWBWMORKMJ-SNVBAGLBSA-N 0 1 192.237 1.863 10 0 ADAEMN Fc1cnn(-c2ccncc2)c1 299889260 169089889 /nfs/dbraw/zinc/08/98/89/169089889.db2.gz GNWSKCZQOHMPMD-UHFFFAOYSA-N 0 1 163.155 1.406 10 0 ADAEMN IC1=CCN=N1 38534171 169090088 /nfs/dbraw/zinc/09/00/88/169090088.db2.gz LHJPTXBAXFXJMK-UHFFFAOYSA-N 0 1 193.975 1.729 10 0 ADAEMN Fc1ncc(F)c2[nH]cnc12 89203281 169090283 /nfs/dbraw/zinc/09/02/83/169090283.db2.gz QBPJSVISRPFKIQ-UHFFFAOYSA-N 0 1 155.107 1.236 10 0 ADAEMN N#CNc1nc2ccc(F)cc2[nH]1 95922909 169107110 /nfs/dbraw/zinc/10/71/10/169107110.db2.gz HMRITOJKYUMKJJ-UHFFFAOYSA-N 0 1 176.154 1.595 10 0 ADAEMN N=C(N=O)C1=CCNC(Cl)=C1 103804576 169132896 /nfs/dbraw/zinc/13/28/96/169132896.db2.gz QPDJACOJOPRGHN-GQCTYLIASA-N 0 1 171.587 1.120 10 0 in-vitro ADAEMN N=C(CF)NCc1ccccc1 73276193 169135974 /nfs/dbraw/zinc/13/59/74/169135974.db2.gz AHDXCBUOFCCIOH-UHFFFAOYSA-N 0 1 166.199 1.723 10 0 ADAEMN NC(=[NH2+])c1[nH]ncc1-c1ccccc1 75847952 169139970 /nfs/dbraw/zinc/13/99/70/169139970.db2.gz SCVNTNKQQMCJLM-UHFFFAOYSA-N 0 1 186.218 1.361 10 0 ADAEMN NC(=[NH2+])c1[n-]ncc1-c1ccccc1 75847952 169139971 /nfs/dbraw/zinc/13/99/71/169139971.db2.gz SCVNTNKQQMCJLM-UHFFFAOYSA-N 0 1 186.218 1.361 10 0 ADAEMN N=C(N)c1cnc(C2CC2)s1 82416678 169141188 /nfs/dbraw/zinc/14/11/88/169141188.db2.gz HMUIYCDPHFSWKY-UHFFFAOYSA-N 0 1 167.237 1.305 10 0 ADAEMN N=C(NO)c1cccc2ncsc12 89195271 169143645 /nfs/dbraw/zinc/14/36/45/169143645.db2.gz CSZRLUNLMVVDIX-UHFFFAOYSA-N 0 1 193.231 1.600 10 0 ADAEMN N=Cc1c(O)ccc2c1C=C2 39058909 169144104 /nfs/dbraw/zinc/14/41/04/169144104.db2.gz ZRKPYWYKOYHRJV-UHFFFAOYSA-N 0 1 145.161 1.874 10 0 ADAEMN N=Cc1cccnc1 39051330 169144610 /nfs/dbraw/zinc/14/46/10/169144610.db2.gz NGJRKTSKLFWZLS-UHFFFAOYSA-N 0 1 106.128 1.079 10 0 ADAEMN NC(=O)/C=C/c1ccc(F)c(F)c1O 44261616 169146590 /nfs/dbraw/zinc/14/65/90/169146590.db2.gz LVVDKEAADMDVGT-DUXPYHPUSA-N 0 1 199.156 1.169 10 0 ADAEMN NC(=O)[C@@H](NC1CC1)c1cccs1 41672048 169159972 /nfs/dbraw/zinc/15/99/72/169159972.db2.gz GNKUXQIQAOWPIS-QMMMGPOBSA-N 0 1 196.275 1.027 10 0 ADAEMN NC(=O)Nc1ccc2nc[nH]c2c1 25496743 169160060 /nfs/dbraw/zinc/16/00/60/169160060.db2.gz MWVDHRNJENPNGR-UHFFFAOYSA-N 0 1 176.179 1.054 10 0 ADAEMN NC(=O)[C@H](NC1CC1)c1cccs1 41672051 169162122 /nfs/dbraw/zinc/16/21/22/169162122.db2.gz GNKUXQIQAOWPIS-MRVPVSSYSA-N 0 1 196.275 1.027 10 0 ADAEMN NC1(C(=O)c2ccccc2)CCC1 159585865 169168946 /nfs/dbraw/zinc/16/89/46/169168946.db2.gz VNPAHQCSMDNWQH-UHFFFAOYSA-N 0 1 175.231 1.751 10 0 ADAEMN NC1(C(=O)OC2CCC2)CCCCC1 50928950 169169249 /nfs/dbraw/zinc/16/92/49/169169249.db2.gz AUQOLWWJUONJET-UHFFFAOYSA-N 0 1 197.278 1.744 10 0 ADAEMN NC1(C(=O)c2cccnc2)CCCC1 71500680 169169448 /nfs/dbraw/zinc/16/94/48/169169448.db2.gz WAPJAFDNSSWFFN-UHFFFAOYSA-N 0 1 190.246 1.536 10 0 ADAEMN NC1(C(=O)c2ccco2)CCCC1 71497701 169169543 /nfs/dbraw/zinc/16/95/43/169169543.db2.gz VAJDMGOERADUDO-UHFFFAOYSA-N 0 1 179.219 1.734 10 0 ADAEMN NC1(C(=O)c2ccncc2)CCCC1 71500682 169169579 /nfs/dbraw/zinc/16/95/79/169169579.db2.gz VFFLCQGRBUWOJH-UHFFFAOYSA-N 0 1 190.246 1.536 10 0 ADAEMN NC1(C(=O)OC2CCCC2)CCCC1 48632270 169169622 /nfs/dbraw/zinc/16/96/22/169169622.db2.gz LAKBTWFVDTYJHZ-UHFFFAOYSA-N 0 1 197.278 1.744 10 0 ADAEMN NC1(C(=O)OCC2CC2)CCCC1 40396813 169169627 /nfs/dbraw/zinc/16/96/27/169169627.db2.gz TVTYENBVFMYTHS-UHFFFAOYSA-N 0 1 183.251 1.211 10 0 ADAEMN NC1(C(=O)c2ccccn2)CCCC1 71500678 169169688 /nfs/dbraw/zinc/16/96/88/169169688.db2.gz PSMGDINCDPWRRF-UHFFFAOYSA-N 0 1 190.246 1.536 10 0 ADAEMN NC1(C(=O)OCC2CC2)CCCCC1 40396681 169169699 /nfs/dbraw/zinc/16/96/99/169169699.db2.gz OUYPIXZCWTVVCM-UHFFFAOYSA-N 0 1 197.278 1.601 10 0 ADAEMN NC1(C(=O)OC2CCC2)CCCC1 50928892 169169787 /nfs/dbraw/zinc/16/97/87/169169787.db2.gz BLLSZUDBAIDHOX-UHFFFAOYSA-N 0 1 183.251 1.354 10 0 ADAEMN NC1=NCC2(CCCCCC2)O1 3612723 169171064 /nfs/dbraw/zinc/17/10/64/169171064.db2.gz ZLHFLARHLWMZRE-UHFFFAOYSA-N 0 1 168.240 1.424 10 0 ADAEMN [NH3+]CCC[P@](=O)([O-])CC1CC1 13742970 169184964 /nfs/dbraw/zinc/18/49/64/169184964.db2.gz HQSBHQANKBKJRB-UHFFFAOYSA-N 0 1 177.184 1.016 10 0 ADAEMN [NH3+]CCCc1nccc(Cl)c1[O-] 95773617 169185821 /nfs/dbraw/zinc/18/58/21/169185821.db2.gz BXXJCXVSFWVISH-UHFFFAOYSA-N 0 1 186.642 1.332 10 0 ADAEMN [NH3+]CCCc1ccnc(Cl)c1[O-] 95773708 169185863 /nfs/dbraw/zinc/18/58/63/169185863.db2.gz OULWTVKCHLNBEQ-UHFFFAOYSA-N 0 1 186.642 1.332 10 0 ADAEMN [NH3+]CCCc1cc(Cl)c([O-])cn1 95773639 169186199 /nfs/dbraw/zinc/18/61/99/169186199.db2.gz XZXVTNLAHQEVQC-UHFFFAOYSA-N 0 1 186.642 1.332 10 0 ADAEMN [NH3+]CCCc1ccc([O-])c(Cl)n1 95773696 169186300 /nfs/dbraw/zinc/18/63/00/169186300.db2.gz ZHKHIZAGYKRPCZ-UHFFFAOYSA-N 0 1 186.642 1.332 10 0 ADAEMN [NH3+]CC[C@@H](c1ccccc1)[P@H](=O)[O-] 26965777 169193310 /nfs/dbraw/zinc/19/33/10/169193310.db2.gz BIXNJCREENDXHI-VIFPVBQESA-N 0 1 199.190 1.544 10 0 ADAEMN [NH3+]CC[C@H](c1ccccc1)[P@H](=O)[O-] 26965769 169195780 /nfs/dbraw/zinc/19/57/80/169195780.db2.gz BIXNJCREENDXHI-SECBINFHSA-N 0 1 199.190 1.544 10 0 ADAEMN [NH3+]CCc1cc(F)c([O-])c(F)c1 32188419 169196192 /nfs/dbraw/zinc/19/61/92/169196192.db2.gz XUEXXOCTTTWZBS-UHFFFAOYSA-N 0 1 173.162 1.172 10 0 ADAEMN [NH3+]CCc1cc([O-])c(F)c(F)c1 44399246 169196453 /nfs/dbraw/zinc/19/64/53/169196453.db2.gz JGSTVVHSCINCDW-UHFFFAOYSA-N 0 1 173.162 1.172 10 0 ADAEMN [NH3+]CCc1c[nH]c2cc(F)c([O-])cc12 3648026 169196507 /nfs/dbraw/zinc/19/65/07/169196507.db2.gz IRQXJTNGYYCJOH-UHFFFAOYSA-N 0 1 194.209 1.514 10 0 ADAEMN [NH3+]CCc1cc(F)cc(Cl)c1[O-] 44397764 169196827 /nfs/dbraw/zinc/19/68/27/169196827.db2.gz YVFVRHWMTVNXJI-UHFFFAOYSA-N 0 1 189.617 1.686 10 0 ADAEMN [NH3+]CCc1ccc(Cl)c([O-])c1 3644407 169197878 /nfs/dbraw/zinc/19/78/78/169197878.db2.gz PMBDMPWZYMGZDT-UHFFFAOYSA-N 0 1 171.627 1.547 10 0 in-vivo ADAEMN NCNc1ccccc1 12341124 169202114 /nfs/dbraw/zinc/20/21/14/169202114.db2.gz NUJAPVSRDGSINW-UHFFFAOYSA-N 0 1 122.171 1.015 10 0 ADAEMN [NH3+]C[C@@H](C[P@H](=O)[O-])c1ccccc1 13742918 169202316 /nfs/dbraw/zinc/20/23/16/169202316.db2.gz UQSUKRWHUNWKRZ-VIFPVBQESA-N 0 1 199.190 1.196 10 0 ADAEMN N[C@H](C[NH3+])c1cccc([O-])c1Cl 72200289 169203336 /nfs/dbraw/zinc/20/33/36/169203336.db2.gz PTMVYKHRJWNRPH-ZCFIWIBFSA-N 0 1 186.642 1.004 10 0 ADAEMN [NH3+]C[C@@H](O)c1ccc([O-])c(Cl)c1 13517496 169204879 /nfs/dbraw/zinc/20/48/79/169204879.db2.gz BLOGTXMZEHBMDJ-MRVPVSSYSA-N 0 1 187.626 1.038 10 0 ADAEMN [NH3+]C[C@@H](O)c1ccc(Cl)c([O-])c1 27866054 169205286 /nfs/dbraw/zinc/20/52/86/169205286.db2.gz CFAMHVXKOHMQHG-MRVPVSSYSA-N 0 1 187.626 1.038 10 0 ADAEMN [NH3+]C[C@H](C[P@H](=O)[O-])c1ccccc1 13742919 169211871 /nfs/dbraw/zinc/21/18/71/169211871.db2.gz UQSUKRWHUNWKRZ-SECBINFHSA-N 0 1 199.190 1.196 10 0 ADAEMN N[C@@H](C[NH3+])c1cccc([O-])c1Cl 72200290 169212293 /nfs/dbraw/zinc/21/22/93/169212293.db2.gz PTMVYKHRJWNRPH-LURJTMIESA-N 0 1 186.642 1.004 10 0 ADAEMN [NH3+]C[C@H](O)c1ccc(Cl)c([O-])c1 27866059 169213534 /nfs/dbraw/zinc/21/35/34/169213534.db2.gz CFAMHVXKOHMQHG-QMMMGPOBSA-N 0 1 187.626 1.038 10 0 ADAEMN [NH3+]C[C@H](O)c1ccc([O-])c(Cl)c1 13517499 169214003 /nfs/dbraw/zinc/21/40/03/169214003.db2.gz BLOGTXMZEHBMDJ-QMMMGPOBSA-N 0 1 187.626 1.038 10 0 ADAEMN NCc1cc(-c2ccccn2)on1 20446358 169218420 /nfs/dbraw/zinc/21/84/20/169218420.db2.gz ZTDCQWCLUYLIQS-UHFFFAOYSA-N 0 1 175.191 1.195 10 0 ADAEMN NCc1c(F)c(F)nc(F)c1F 44249472 169218724 /nfs/dbraw/zinc/21/87/24/169218724.db2.gz OYZIQRQTEANWPB-UHFFFAOYSA-N 0 1 180.104 1.097 10 0 ADAEMN NCc1cc(COC2CCCC2)on1 52600783 169218799 /nfs/dbraw/zinc/21/87/99/169218799.db2.gz YRRACGRVYARHNN-UHFFFAOYSA-N 0 1 196.250 1.593 10 0 ADAEMN NCc1cc(CN2CCCCC2)no1 16943420 169219071 /nfs/dbraw/zinc/21/90/71/169219071.db2.gz FPPXDUJVEZNGIB-UHFFFAOYSA-N 0 1 195.266 1.119 10 0 ADAEMN NCc1cc(COC2CCC2)on1 52595531 169219217 /nfs/dbraw/zinc/21/92/17/169219217.db2.gz MUFLSVROUOWKKP-UHFFFAOYSA-N 0 1 182.223 1.202 10 0 ADAEMN NCc1c(OC2CC2)ccnc1F 95737867 169219260 /nfs/dbraw/zinc/21/92/60/169219260.db2.gz QYVMQVHUHOIPSJ-UHFFFAOYSA-N 0 1 182.198 1.221 10 0 ADAEMN NCc1cc(-c2ccco2)no1 39113181 169219275 /nfs/dbraw/zinc/21/92/75/169219275.db2.gz KXCUGZCNTASALA-UHFFFAOYSA-N 0 1 164.164 1.393 10 0 ADAEMN [NH3+]Cc1c(F)ccc([O-])c1F 75926749 169219512 /nfs/dbraw/zinc/21/95/12/169219512.db2.gz IWSYFKSZVWQIIT-UHFFFAOYSA-N 0 1 159.135 1.129 10 0 ADAEMN NCc1cc(-c2cc[nH]c2)on1 82522605 169219579 /nfs/dbraw/zinc/21/95/79/169219579.db2.gz VEHZVTZKWUVKLD-UHFFFAOYSA-N 0 1 163.180 1.128 10 0 ADAEMN NCc1cc(-c2cccs2)no1 58519563 169219651 /nfs/dbraw/zinc/21/96/51/169219651.db2.gz FZGASYWUKYOUJG-UHFFFAOYSA-N 0 1 180.232 1.862 10 0 ADAEMN NCc1c(N)sc(C=O)c1Cl 44250066 169219665 /nfs/dbraw/zinc/21/96/65/169219665.db2.gz MFIJHHLNBVBGPO-UHFFFAOYSA-N 0 1 190.655 1.255 10 0 ADAEMN NCc1cc2cc(N)ccc2o1 39136510 169219933 /nfs/dbraw/zinc/21/99/33/169219933.db2.gz HIXDCIJRPJXEAQ-UHFFFAOYSA-N 0 1 162.192 1.474 10 0 ADAEMN [NH3+]Cc1cc2c([O-])cc(F)cc2[nH]1 82872177 169220310 /nfs/dbraw/zinc/22/03/10/169220310.db2.gz LYQLLJAGZGSPMQ-UHFFFAOYSA-N 0 1 180.182 1.471 10 0 ADAEMN NCc1cc2c(Cl)cncc2o1 82875435 169220870 /nfs/dbraw/zinc/22/08/70/169220870.db2.gz UTVZOPKKIPZXJA-UHFFFAOYSA-N 0 1 182.610 1.940 10 0 ADAEMN NCc1cc2cc(Cl)ncc2o1 82875436 169220942 /nfs/dbraw/zinc/22/09/42/169220942.db2.gz LKMYVRKREZYWDH-UHFFFAOYSA-N 0 1 182.610 1.940 10 0 ADAEMN NCc1cc2ccc(O)cc2o1 82850630 169221104 /nfs/dbraw/zinc/22/11/04/169221104.db2.gz HPONTQVUFSTMOE-UHFFFAOYSA-N 0 1 163.176 1.597 10 0 ADAEMN [NH3+]Cc1cc([O-])c(F)cc1F 39088816 169221272 /nfs/dbraw/zinc/22/12/72/169221272.db2.gz UPYMEQBRNMCLGR-UHFFFAOYSA-N 0 1 159.135 1.129 10 0 ADAEMN [NH3+]Cc1ccc(-c2cc(=O)[nH][n-]2)cc1 82881103 169221640 /nfs/dbraw/zinc/22/16/40/169221640.db2.gz LRNWFDAYBBSANA-UHFFFAOYSA-N 0 1 189.218 1.241 10 0 ADAEMN NCc1ccc(COC2CCC2)o1 52595408 169221668 /nfs/dbraw/zinc/22/16/68/169221668.db2.gz UXBBFXDOROGIIU-UHFFFAOYSA-N 0 1 181.235 1.807 10 0 ADAEMN NCc1ccc(-c2cncc(F)c2)o1 82636723 169221887 /nfs/dbraw/zinc/22/18/87/169221887.db2.gz LLTHNVRAVBTOAI-UHFFFAOYSA-N 0 1 192.193 1.939 10 0 ADAEMN NCc1cc2ccncc2o1 39051343 169222171 /nfs/dbraw/zinc/22/21/71/169222171.db2.gz HXSLUROWWQKZJQ-UHFFFAOYSA-N 0 1 148.165 1.287 10 0 ADAEMN [NH3+]Cc1ccc(C(F)(F)F)c([O-])c1 95723813 169222375 /nfs/dbraw/zinc/22/23/75/169222375.db2.gz DBFAAMLOZVQLOA-UHFFFAOYSA-N 0 1 191.152 1.870 10 0 ADAEMN NCc1cc2ncccc2o1 39051344 169222462 /nfs/dbraw/zinc/22/24/62/169222462.db2.gz DCACSVZPNBEQDE-UHFFFAOYSA-N 0 1 148.165 1.287 10 0 ADAEMN NCc1ccc(-c2cncnc2)o1 82634146 169222545 /nfs/dbraw/zinc/22/25/45/169222545.db2.gz FGWQRDIANSRBJC-UHFFFAOYSA-N 0 1 175.191 1.195 10 0 ADAEMN NCc1cc2ccnc(Cl)c2o1 82875437 169222623 /nfs/dbraw/zinc/22/26/23/169222623.db2.gz PQQVMBWDEGOUFS-UHFFFAOYSA-N 0 1 182.610 1.940 10 0 ADAEMN NCc1cc2cccnc2o1 39051346 169222767 /nfs/dbraw/zinc/22/27/67/169222767.db2.gz UQYHAEUCLXRTQI-UHFFFAOYSA-N 0 1 148.165 1.287 10 0 ADAEMN [NH3+]Cc1cccc(-c2cc(=O)[nH][n-]2)c1 82881104 169224332 /nfs/dbraw/zinc/22/43/32/169224332.db2.gz BNTOFQPPTVIVOR-UHFFFAOYSA-N 0 1 189.218 1.241 10 0 ADAEMN NCc1cnc(-c2ccccn2)o1 58518704 169225242 /nfs/dbraw/zinc/22/52/42/169225242.db2.gz KRSHYOYPXPLHLT-UHFFFAOYSA-N 0 1 175.191 1.195 10 0 ADAEMN NCc1cnc(-c2cccnc2)o1 58518708 169225351 /nfs/dbraw/zinc/22/53/51/169225351.db2.gz DGYYGRGBFJOPHT-UHFFFAOYSA-N 0 1 175.191 1.195 10 0 ADAEMN NCc1cnc(-c2ccco2)o1 41167823 169225476 /nfs/dbraw/zinc/22/54/76/169225476.db2.gz KVQRXYLNFYEFHN-UHFFFAOYSA-N 0 1 164.164 1.393 10 0 ADAEMN NCc1cnc(-c2ccc(F)cc2)o1 41205816 169225600 /nfs/dbraw/zinc/22/56/00/169225600.db2.gz CNCMWRWNKADMHP-UHFFFAOYSA-N 0 1 192.193 1.939 10 0 ADAEMN NCc1cnc(-c2ccccc2F)o1 41205814 169225781 /nfs/dbraw/zinc/22/57/81/169225781.db2.gz FAWKEZPBJDEGOR-UHFFFAOYSA-N 0 1 192.193 1.939 10 0 ADAEMN NCc1cnc(-c2cccc(F)c2)o1 41205815 169225867 /nfs/dbraw/zinc/22/58/67/169225867.db2.gz LPWLFNLCSQPFKE-UHFFFAOYSA-N 0 1 192.193 1.939 10 0 ADAEMN NCc1cnc(-c2ncccn2)s1 40996532 169226066 /nfs/dbraw/zinc/22/60/66/169226066.db2.gz RXWKLMDJDYVCSD-UHFFFAOYSA-N 0 1 192.247 1.059 10 0 ADAEMN NCc1cnc(-c2ccncc2)o1 58518713 169226276 /nfs/dbraw/zinc/22/62/76/169226276.db2.gz WVOXCPHXZPRJJH-UHFFFAOYSA-N 0 1 175.191 1.195 10 0 ADAEMN NCc1cnc(-c2cccs2)o1 41201227 169226383 /nfs/dbraw/zinc/22/63/83/169226383.db2.gz VWAQNKLLVRWQMW-UHFFFAOYSA-N 0 1 180.232 1.862 10 0 ADAEMN NCc1coc(-c2ccsc2)n1 82634949 169226668 /nfs/dbraw/zinc/22/66/68/169226668.db2.gz ASVVLPLATCHTOF-UHFFFAOYSA-N 0 1 180.232 1.862 10 0 ADAEMN NCc1coc(C2CC2)n1 58517503 169226694 /nfs/dbraw/zinc/22/66/94/169226694.db2.gz IELXVHFXVDJMAZ-UHFFFAOYSA-N 0 1 138.170 1.011 10 0 ADAEMN NCc1coc(-c2ccoc2)n1 82632616 169226709 /nfs/dbraw/zinc/22/67/09/169226709.db2.gz XKFKQQHQOMRTKP-UHFFFAOYSA-N 0 1 164.164 1.393 10 0 ADAEMN NCc1coc(-c2ccco2)n1 19723012 169226924 /nfs/dbraw/zinc/22/69/24/169226924.db2.gz FXPJZBKIZZHYOX-UHFFFAOYSA-N 0 1 164.164 1.393 10 0 ADAEMN NCc1coc(-c2ccncc2)n1 58518712 169227029 /nfs/dbraw/zinc/22/70/29/169227029.db2.gz MVDZBUZRTFDHHU-UHFFFAOYSA-N 0 1 175.191 1.195 10 0 ADAEMN NCc1cnc(Cc2ccccc2)o1 58520692 169227299 /nfs/dbraw/zinc/22/72/99/169227299.db2.gz LPYUVUILFMVMTE-UHFFFAOYSA-N 0 1 188.230 1.724 10 0 ADAEMN NCc1coc(-c2ccccn2)n1 58518703 169227317 /nfs/dbraw/zinc/22/73/17/169227317.db2.gz PKYZZWUAALFZRE-UHFFFAOYSA-N 0 1 175.191 1.195 10 0 ADAEMN NCc1coc(Cc2ccccc2)n1 58520691 169227572 /nfs/dbraw/zinc/22/75/72/169227572.db2.gz NUOYXCBPTWSMGQ-UHFFFAOYSA-N 0 1 188.230 1.724 10 0 ADAEMN NCc1coc(-c2cccnc2)n1 58518707 169227594 /nfs/dbraw/zinc/22/75/94/169227594.db2.gz IADKIPPIIYLQQX-UHFFFAOYSA-N 0 1 175.191 1.195 10 0 ADAEMN [NH3+]Cc1coc2c([O-])cccc12 82850629 169227746 /nfs/dbraw/zinc/22/77/46/169227746.db2.gz FPVBDKWQXGBOEE-UHFFFAOYSA-N 0 1 163.176 1.597 10 0 ADAEMN NCc1nc2ccc(F)cc2s1 31894580 169228086 /nfs/dbraw/zinc/22/80/86/169228086.db2.gz NCCITDYUFDRCOB-UHFFFAOYSA-N 0 1 182.223 1.894 10 0 ADAEMN NCc1nc(-c2cc[nH]c2)cs1 71497810 169228132 /nfs/dbraw/zinc/22/81/32/169228132.db2.gz WPHRFSIXFKAPBC-UHFFFAOYSA-N 0 1 179.248 1.597 10 0 ADAEMN NCc1nc2c(O)cccc2s1 75844856 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1 166.224 1.791 10 0 ADAEMN NCc1nccn1-c1ccccc1F 71500936 169231514 /nfs/dbraw/zinc/23/15/14/169231514.db2.gz UWUIDGWYJJNEPR-UHFFFAOYSA-N 0 1 191.209 1.470 10 0 ADAEMN NCc1nccc(Cl)c1OC1CC1 95725098 169231538 /nfs/dbraw/zinc/23/15/38/169231538.db2.gz DJTNLJRPDMJZSJ-UHFFFAOYSA-N 0 1 198.653 1.735 10 0 ADAEMN NCc1ncoc1CC1CCCC1 82635031 169231619 /nfs/dbraw/zinc/23/16/19/169231619.db2.gz AEMFSZWLIHNXGX-UHFFFAOYSA-N 0 1 180.251 1.866 10 0 ADAEMN NCc1nccc(C2CCCC2)n1 70951646 169231640 /nfs/dbraw/zinc/23/16/40/169231640.db2.gz NXWDXXXTQFQBMP-UHFFFAOYSA-N 0 1 177.251 1.593 10 0 ADAEMN NCc1nccn1Cc1ccsc1 2910 169231649 /nfs/dbraw/zinc/23/16/49/169231649.db2.gz PDTICONUJKNGLF-UHFFFAOYSA-N 0 1 193.275 1.452 10 0 ADAEMN NCc1nccnc1OC1CCCC1 54378360 169231785 /nfs/dbraw/zinc/23/17/85/169231785.db2.gz KWTYPRHSMYOLJM-UHFFFAOYSA-N 0 1 193.250 1.257 10 0 ADAEMN NCc1ncn(CC2CCCCC2)n1 61842955 169231797 /nfs/dbraw/zinc/23/17/97/169231797.db2.gz JIQKACNGVCRUPZ-UHFFFAOYSA-N 0 1 194.282 1.317 10 0 ADAEMN NCc1nccc(OC2CC2)c1Cl 95719594 169231898 /nfs/dbraw/zinc/23/18/98/169231898.db2.gz FFJTZHGSQFQAOF-UHFFFAOYSA-N 0 1 198.653 1.735 10 0 ADAEMN NCc1ncoc1[C@@H]1CCCCO1 82635251 169231911 /nfs/dbraw/zinc/23/19/11/169231911.db2.gz PYCHUWYSIMLNHN-QMMMGPOBSA-N 0 1 182.223 1.375 10 0 ADAEMN NCc1ncsc1Br 84353538 169231946 /nfs/dbraw/zinc/23/19/46/169231946.db2.gz GGQQCIYSKKJTQL-UHFFFAOYSA-N 0 1 193.069 1.364 10 0 ADAEMN NCc1nnc(NC2CCCC2)s1 82531195 169232206 /nfs/dbraw/zinc/23/22/06/169232206.db2.gz PACNSJMWLRYTGC-UHFFFAOYSA-N 0 1 198.295 1.351 10 0 ADAEMN NCc1nnnn1C1CCCCCC1 54745603 169232399 /nfs/dbraw/zinc/23/23/99/169232399.db2.gz VSNYDAIONJHQSP-UHFFFAOYSA-N 0 1 195.270 1.027 10 0 ADAEMN NCc1scnc1C(F)(F)F 82635229 169232405 /nfs/dbraw/zinc/23/24/05/169232405.db2.gz DFIIOYQSUFISTA-UHFFFAOYSA-N 0 1 182.170 1.621 10 0 ADAEMN NCc1onc2ncc(Cl)cc12 82876672 169232533 /nfs/dbraw/zinc/23/25/33/169232533.db2.gz IPHFMGSADVHQLE-UHFFFAOYSA-N 0 1 183.598 1.335 10 0 ADAEMN NCc1nncn1C1CCCCCC1 82530854 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/nfs/dbraw/zinc/23/31/50/169233150.db2.gz VYAAHZSMKMEPMC-UHFFFAOYSA-N 0 1 179.248 1.615 10 0 ADAEMN NCc1onc2nc(Cl)ccc12 82876674 169233157 /nfs/dbraw/zinc/23/31/57/169233157.db2.gz PYUZSWHXAZKOAF-UHFFFAOYSA-N 0 1 183.598 1.335 10 0 ADAEMN NN=c1ncc2c([nH]1)CCCCC2 72417108 169238343 /nfs/dbraw/zinc/23/83/43/169238343.db2.gz WWASPDAHXOKAOM-UHFFFAOYSA-N 0 1 178.239 1.031 10 0 ADAEMN NNc1nc2c(n1C1CC1)CCCC2 76095103 169239173 /nfs/dbraw/zinc/23/91/73/169239173.db2.gz KPZCVQHDCJYQDM-UHFFFAOYSA-N 0 1 192.266 1.382 10 0 ADAEMN NNc1nnc(Cl)c2c1CCCC2 39712 169239554 /nfs/dbraw/zinc/23/95/54/169239554.db2.gz ZBLLDDHCACSORX-UHFFFAOYSA-N 0 1 198.657 1.294 10 0 ADAEMN NN=c1[nH]ccnc1-c1ccccc1 39419608 169239964 /nfs/dbraw/zinc/23/99/64/169239964.db2.gz YRZZTHXOAMZZJG-UHFFFAOYSA-N 0 1 186.218 1.429 10 0 ADAEMN NNc1nnc(-c2ccsc2)s1 28001309 169240041 /nfs/dbraw/zinc/24/00/41/169240041.db2.gz PENNQWYNCRWPFK-UHFFFAOYSA-N 0 1 198.276 1.552 10 0 ADAEMN NNc1nnc(C2CCCCC2)s1 31977358 169240097 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ADAEMN N[C@@H](CCO)c1ncccc1Cl 83276792 169245037 /nfs/dbraw/zinc/24/50/37/169245037.db2.gz QYGAWOVGQVQDFD-ZETCQYMHSA-N 0 1 186.642 1.117 10 0 ADAEMN [NH3+][C@@H](CO)c1ccc([O-])c(Cl)c1 49823002 169245320 /nfs/dbraw/zinc/24/53/20/169245320.db2.gz BXFJZKMWVRALEU-ZETCQYMHSA-N 0 1 187.626 1.038 10 0 ADAEMN N[C@@H](CO)c1ccc(C(F)(F)F)o1 83279897 169245571 /nfs/dbraw/zinc/24/55/71/169245571.db2.gz CLEHQTZAZZYDDG-BYPYZUCNSA-N 0 1 195.140 1.291 10 0 ADAEMN N[C@@H](CO)c1c(F)ccc(F)c1F 72197668 169245715 /nfs/dbraw/zinc/24/57/15/169245715.db2.gz OAFYGENFKMQCKF-LURJTMIESA-N 0 1 191.152 1.096 10 0 ADAEMN [NH3+][C@@H](CO)c1cccc([O-])c1Cl 72197611 169245908 /nfs/dbraw/zinc/24/59/08/169245908.db2.gz JNFVGSCVHNRIAJ-LURJTMIESA-N 0 1 187.626 1.038 10 0 ADAEMN N[C@@H](CO)c1cc(C(F)(F)F)co1 83279893 169245983 /nfs/dbraw/zinc/24/59/83/169245983.db2.gz DJIIRNILPISARP-YFKPBYRVSA-N 0 1 195.140 1.291 10 0 ADAEMN N[C@@H](CO)c1nc2c(s1)CCCC2 76136093 169246788 /nfs/dbraw/zinc/24/67/88/169246788.db2.gz 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/nfs/dbraw/zinc/24/82/54/169248254.db2.gz MIKAAVMGCWBMJU-QMMMGPOBSA-N 0 1 177.207 1.176 10 0 ADAEMN N[C@@H](c1nccs1)C1CCOCC1 52179392 169248746 /nfs/dbraw/zinc/24/87/46/169248746.db2.gz CTKGZZAOEGNSTA-MRVPVSSYSA-N 0 1 198.291 1.570 10 0 ADAEMN N[C@@H](c1nccs1)[C@@H]1CCOC1 41059878 169248756 /nfs/dbraw/zinc/24/87/56/169248756.db2.gz ARYWHDAMHVBDRK-RNFRBKRXSA-N 0 1 184.264 1.179 10 0 ADAEMN N[C@@H](c1ccccc1)c1c[nH]cn1 88613766 169248789 /nfs/dbraw/zinc/24/87/89/169248789.db2.gz JLSUNRBFULQCJT-JTQLQIEISA-N 0 1 173.219 1.458 10 0 in-vitro ADAEMN N[C@@H](c1noc(C2CCC2)n1)C1CC1 41052740 169248858 /nfs/dbraw/zinc/24/88/58/169248858.db2.gz VLHUGUWBOVJOPL-MRVPVSSYSA-N 0 1 193.250 1.747 10 0 ADAEMN N[C@@H](c1cncnc1)c1cccs1 52886958 169248924 /nfs/dbraw/zinc/24/89/24/169248924.db2.gz HYBYVFYLAXTPKU-VIFPVBQESA-N 0 1 191.259 1.586 10 0 ADAEMN N[C@@H](c1ccccn1)c1ccc[nH]1 11737246 169248927 /nfs/dbraw/zinc/24/89/27/169248927.db2.gz QGKRRCZDGNRZKB-JTQLQIEISA-N 0 1 173.219 1.458 10 0 ADAEMN N[C@@H](c1ccco1)[C@H]1CCCCO1 50963066 169248949 /nfs/dbraw/zinc/24/89/49/169248949.db2.gz FVZPJURQWFARQT-PSASIEDQSA-N 0 1 181.235 1.849 10 0 ADAEMN N[C@@H](c1ccncc1)c1ccccn1 41655818 169249064 /nfs/dbraw/zinc/24/90/64/169249064.db2.gz PRYGOHJKZOKHKP-NSHDSACASA-N 0 1 185.230 1.525 10 0 ADAEMN N[C@@H](c1ccccc1)c1cnccn1 57834629 169249094 /nfs/dbraw/zinc/24/90/94/169249094.db2.gz YBJKKIWQRXZLLI-NSHDSACASA-N 0 1 185.230 1.525 10 0 ADAEMN N[C@@H](c1noc(C2CC2)n1)C1CC1 42373438 169249102 /nfs/dbraw/zinc/24/91/02/169249102.db2.gz AXHMOJITYWTBIN-SSDOTTSWSA-N 0 1 179.223 1.357 10 0 ADAEMN [NH3+][C@@H](c1ccccc1)[P@H](=O)[O-] 29326774 169249109 /nfs/dbraw/zinc/24/91/09/169249109.db2.gz JLTNHFQJNQZJTC-SSDOTTSWSA-N 0 1 171.136 1.111 10 0 ADAEMN N[C@@H](c1ncon1)C1CCCC1 50272924 169249156 /nfs/dbraw/zinc/24/91/56/169249156.db2.gz XNODOICAGNQKSU-SSDOTTSWSA-N 0 1 167.212 1.260 10 0 ADAEMN N[C@@H](c1ccco1)[C@@H]1CCCO1 43607186 169249166 /nfs/dbraw/zinc/24/91/66/169249166.db2.gz HCAHJDBVCMFDTN-IUCAKERBSA-N 0 1 167.208 1.458 10 0 ADAEMN N[C@@H](c1ccccc1)N1CCCC1 26442238 169249198 /nfs/dbraw/zinc/24/91/98/169249198.db2.gz SPIMTFMHESHSOO-LLVKDONJSA-N 0 1 176.263 1.740 10 0 ADAEMN N[C@@H](c1nccs1)[C@H]1CCOC1 41059880 169249490 /nfs/dbraw/zinc/24/94/90/169249490.db2.gz ARYWHDAMHVBDRK-NKWVEPMBSA-N 0 1 184.264 1.179 10 0 ADAEMN N[C@@H](c1ccccc1)c1ncc[nH]1 36912383 169249509 /nfs/dbraw/zinc/24/95/09/169249509.db2.gz MRLQZAIZEOTFHT-VIFPVBQESA-N 0 1 173.219 1.458 10 0 ADAEMN N[C@@H](c1ncon1)C1CCCCC1 36761999 169249564 /nfs/dbraw/zinc/24/95/64/169249564.db2.gz NNAKSOSLCCDYKR-MRVPVSSYSA-N 0 1 181.239 1.650 10 0 ADAEMN N[C@@H](c1noc(CC2CC2)n1)C1CC1 49732455 169249638 /nfs/dbraw/zinc/24/96/38/169249638.db2.gz SIPQKWWTMYRCKM-SECBINFHSA-N 0 1 193.250 1.432 10 0 ADAEMN N[C@@H](c1ccco1)[C@@H]1CCCCO1 50963062 169249653 /nfs/dbraw/zinc/24/96/53/169249653.db2.gz FVZPJURQWFARQT-WCBMZHEXSA-N 0 1 181.235 1.849 10 0 ADAEMN N[C@@H](c1ccc(F)cc1)N1CCCC1 26442478 169249677 /nfs/dbraw/zinc/24/96/77/169249677.db2.gz WETYSYLGYLYLSZ-LLVKDONJSA-N 0 1 194.253 1.879 10 0 ADAEMN N[C@@H](c1noc(C(F)F)n1)C1CC1 95532855 169249694 /nfs/dbraw/zinc/24/96/94/169249694.db2.gz XAXMGNIAYWBBDE-SCSAIBSYSA-N 0 1 189.165 1.417 10 0 ADAEMN N[C@@H](c1cn[nH]c1)c1cccs1 62775784 169249813 /nfs/dbraw/zinc/24/98/13/169249813.db2.gz JUNIVGOKTLBWFX-QMMMGPOBSA-N 0 1 179.248 1.519 10 0 ADAEMN N[C@@H](c1cncnc1)c1ccsc1 52886998 169249980 /nfs/dbraw/zinc/24/99/80/169249980.db2.gz WIMRNFUDFPZQQK-SECBINFHSA-N 0 1 191.259 1.586 10 0 ADAEMN N[C@@H](c1ccco1)C1(O)CCCCC1 75598142 169250147 /nfs/dbraw/zinc/25/01/47/169250147.db2.gz GLZAXVVOPVAPBR-JTQLQIEISA-N 0 1 195.262 1.975 10 0 ADAEMN N[C@@H](c1ccco1)[C@H]1CCCO1 43607192 169250150 /nfs/dbraw/zinc/25/01/50/169250150.db2.gz HCAHJDBVCMFDTN-BDAKNGLRSA-N 0 1 167.208 1.458 10 0 ADAEMN N[C@@H]1CCC(=O)Nc2ccoc21 82403162 169250244 /nfs/dbraw/zinc/25/02/44/169250244.db2.gz QZMXCVXNAWGKDU-RXMQYKEDSA-N 0 1 166.180 1.012 10 0 ADAEMN N[C@@H]1CC(=O)Nc2cccc(Cl)c21 57937638 169250752 /nfs/dbraw/zinc/25/07/52/169250752.db2.gz NGWKZSHTPLSPTG-ZCFIWIBFSA-N 0 1 196.637 1.682 10 0 ADAEMN N[C@@H]1CC(=O)Nc2cccc(F)c21 57936263 169250991 /nfs/dbraw/zinc/25/09/91/169250991.db2.gz UUKIUUDNZDPZMC-ZCFIWIBFSA-N 0 1 180.182 1.168 10 0 ADAEMN N[C@@H]1CC(=O)c2cc(Cl)sc21 3592419 169251301 /nfs/dbraw/zinc/25/13/01/169251301.db2.gz BSFAMJFYOYIDDR-SCSAIBSYSA-N 0 1 187.651 1.988 10 0 ADAEMN N[C@@H]1CCCc2ccccc2C1=O 43651349 169253461 /nfs/dbraw/zinc/25/34/61/169253461.db2.gz NEWVFTLSHKCAGF-SNVBAGLBSA-N 0 1 175.231 1.533 10 0 ADAEMN N[C@@H]1CCc2c(Cl)cccc2C1=O 74242938 169255331 /nfs/dbraw/zinc/25/53/31/169255331.db2.gz XRDKMBVKFNDRGQ-SECBINFHSA-N 0 1 195.649 1.796 10 0 ADAEMN N[C@@H]1CCc2ccccc2CC1=O 66076073 169256816 /nfs/dbraw/zinc/25/68/16/169256816.db2.gz CDGUKZZVDUXXJQ-SNVBAGLBSA-N 0 1 175.231 1.072 10 0 ADAEMN N[C@@H]1Cc2ccccc2CCC1=O 66075660 169259028 /nfs/dbraw/zinc/25/90/28/169259028.db2.gz DWLCFXRAYGQBEW-SNVBAGLBSA-N 0 1 175.231 1.072 10 0 ADAEMN N[C@@H]1Cc2c(Cl)cccc2NC1=O 57937645 169259905 /nfs/dbraw/zinc/25/99/05/169259905.db2.gz PPFKNRWDZIAUEQ-SSDOTTSWSA-N 0 1 196.637 1.162 10 0 ADAEMN N[C@@H]1Cc2cccc3[nH]cc(c23)C1=O 34202645 169260052 /nfs/dbraw/zinc/26/00/52/169260052.db2.gz TVRZWTSDRGJEJY-MRVPVSSYSA-N 0 1 186.214 1.234 10 0 ADAEMN N[C@@]1(c2ccccc2)CCCCC1=O 39319757 169261868 /nfs/dbraw/zinc/26/18/68/169261868.db2.gz IXDGGSSUYSFGOK-GFCCVEGCSA-N 0 1 189.258 1.984 10 0 ADAEMN N[C@@]12CC[C@@H](C1)c1ccccc1C2=O 75577737 169261916 /nfs/dbraw/zinc/26/19/16/169261916.db2.gz QPRJBROVAZIZSJ-UFBFGSQYSA-N 0 1 187.242 1.848 10 0 ADAEMN [NH3+][C@H](C(=O)[O-])c1cc(Cl)co1 6499687 169262303 /nfs/dbraw/zinc/26/23/03/169262303.db2.gz PYBFIZVWGUILMM-YFKPBYRVSA-N 0 1 175.571 1.017 10 0 ADAEMN N[C@@]1(c2nccs2)CCSC1 41059848 169262731 /nfs/dbraw/zinc/26/27/31/169262731.db2.gz JFCQROFIVRPWNJ-ZETCQYMHSA-N 0 1 186.305 1.434 10 0 ADAEMN N[C@H](C(=O)OC1CCCC1)C1CC1 54523996 169263147 /nfs/dbraw/zinc/26/31/47/169263147.db2.gz VXPDOVSHJURIDU-VIFPVBQESA-N 0 1 183.251 1.210 10 0 ADAEMN N[C@H](C(=O)OC1CCCCC1)C1CC1 54523994 169263276 /nfs/dbraw/zinc/26/32/76/169263276.db2.gz KAWILEQEFVXZKK-JTQLQIEISA-N 0 1 197.278 1.600 10 0 ADAEMN N[C@H](CCO)c1cc2ccccc2o1 2530262 169264682 /nfs/dbraw/zinc/26/46/82/169264682.db2.gz XSIAFYFUXYHNRQ-SECBINFHSA-N 0 1 191.230 1.815 10 0 ADAEMN N[C@H](CCO)c1ncccc1Cl 83276791 169264865 /nfs/dbraw/zinc/26/48/65/169264865.db2.gz QYGAWOVGQVQDFD-SSDOTTSWSA-N 0 1 186.642 1.117 10 0 ADAEMN N[C@H](CCO)c1onc2ccccc12 82890826 169265103 /nfs/dbraw/zinc/26/51/03/169265103.db2.gz BAGRBPQIGZEWGU-MRVPVSSYSA-N 0 1 192.218 1.210 10 0 ADAEMN [NH3+][C@H](CCc1ccccc1)[P@H](=O)[O-] 29313434 169265274 /nfs/dbraw/zinc/26/52/74/169265274.db2.gz BFYOJKDRJIERJF-VIFPVBQESA-N 0 1 199.190 1.371 10 0 in-vivo ADAEMN N[C@H](CO)c1nc2c(s1)CCCC2 76136092 169266101 /nfs/dbraw/zinc/26/61/01/169266101.db2.gz HOLPMWJLRPHPRU-ZCFIWIBFSA-N 0 1 198.291 1.014 10 0 ADAEMN [NH3+][C@H](CO)c1cccc([O-])c1Cl 72197610 169266221 /nfs/dbraw/zinc/26/62/21/169266221.db2.gz JNFVGSCVHNRIAJ-ZCFIWIBFSA-N 0 1 187.626 1.038 10 0 ADAEMN N[C@H](CO)c1ccc(C(F)(F)F)o1 83279896 169266430 /nfs/dbraw/zinc/26/64/30/169266430.db2.gz CLEHQTZAZZYDDG-SCSAIBSYSA-N 0 1 195.140 1.291 10 0 ADAEMN N[C@H](CO)c1cc2cccc(F)c2o1 82895372 169266448 /nfs/dbraw/zinc/26/64/48/169266448.db2.gz RSVGMHOHLJZTPI-MRVPVSSYSA-N 0 1 195.193 1.564 10 0 ADAEMN N[C@H](CO)c1c(F)ccc(F)c1F 72197667 169266533 /nfs/dbraw/zinc/26/65/33/169266533.db2.gz OAFYGENFKMQCKF-ZCFIWIBFSA-N 0 1 191.152 1.096 10 0 ADAEMN N[C@H](CO)c1cc(C(F)(F)F)co1 83279892 169266637 /nfs/dbraw/zinc/26/66/37/169266637.db2.gz DJIIRNILPISARP-RXMQYKEDSA-N 0 1 195.140 1.291 10 0 ADAEMN [NH3+][C@H](CO)c1ccc([O-])c(Cl)c1 49823001 169267413 /nfs/dbraw/zinc/26/74/13/169267413.db2.gz BXFJZKMWVRALEU-SSDOTTSWSA-N 0 1 187.626 1.038 10 0 ADAEMN N[C@H](Cc1nccs1)c1ccco1 36279151 169267681 /nfs/dbraw/zinc/26/76/81/169267681.db2.gz WKIWKLSUHJSMJH-SSDOTTSWSA-N 0 1 194.259 1.979 10 0 ADAEMN N[C@H](Cc1ccccn1)c1ccco1 15861 169268432 /nfs/dbraw/zinc/26/84/32/169268432.db2.gz MJZNUPMJZTUASP-SNVBAGLBSA-N 0 1 188.230 1.917 10 0 ADAEMN N[C@H](Cc1ccccc1)C(F)F 21994934 169268460 /nfs/dbraw/zinc/26/84/60/169268460.db2.gz YTGVDDOZVMXQOI-MRVPVSSYSA-N 0 1 171.190 1.822 10 0 ADAEMN [NH3+][C@H](c1ccccc1)[P@H](=O)[O-] 29326769 169269015 /nfs/dbraw/zinc/26/90/15/169269015.db2.gz JLTNHFQJNQZJTC-ZETCQYMHSA-N 0 1 171.136 1.111 10 0 ADAEMN N[C@H](c1ncon1)C1CCCC1 50272925 169269162 /nfs/dbraw/zinc/26/91/62/169269162.db2.gz XNODOICAGNQKSU-ZETCQYMHSA-N 0 1 167.212 1.260 10 0 ADAEMN N[C@H](Cn1cccn1)c1ccco1 40544008 169269164 /nfs/dbraw/zinc/26/91/64/169269164.db2.gz URLBSCZUTDINCV-MRVPVSSYSA-N 0 1 177.207 1.176 10 0 ADAEMN N[C@H](c1ccco1)[C@H]1CCCO1 43607195 169269186 /nfs/dbraw/zinc/26/91/86/169269186.db2.gz HCAHJDBVCMFDTN-RKDXNWHRSA-N 0 1 167.208 1.458 10 0 ADAEMN N[C@H](c1ccccc1)c1c[nH]cn1 88613767 169269196 /nfs/dbraw/zinc/26/91/96/169269196.db2.gz JLSUNRBFULQCJT-SNVBAGLBSA-N 0 1 173.219 1.458 10 0 in-vitro ADAEMN N[C@H](c1cn[nH]c1)c1cccs1 62775783 169269262 /nfs/dbraw/zinc/26/92/62/169269262.db2.gz JUNIVGOKTLBWFX-MRVPVSSYSA-N 0 1 179.248 1.519 10 0 ADAEMN N[C@H](c1ccccc1)N1CCCC1 26442233 169269279 /nfs/dbraw/zinc/26/92/79/169269279.db2.gz SPIMTFMHESHSOO-NSHDSACASA-N 0 1 176.263 1.740 10 0 ADAEMN N[C@H](c1noc(C2CC2)n1)C1CC1 42373439 169269413 /nfs/dbraw/zinc/26/94/13/169269413.db2.gz AXHMOJITYWTBIN-ZETCQYMHSA-N 0 1 179.223 1.357 10 0 ADAEMN N[C@H](c1ncon1)C1CCCCC1 36762000 169269438 /nfs/dbraw/zinc/26/94/38/169269438.db2.gz NNAKSOSLCCDYKR-QMMMGPOBSA-N 0 1 181.239 1.650 10 0 ADAEMN N[C@H](c1noc(C(F)F)n1)C1CC1 95532854 169269550 /nfs/dbraw/zinc/26/95/50/169269550.db2.gz XAXMGNIAYWBBDE-BYPYZUCNSA-N 0 1 189.165 1.417 10 0 ADAEMN N[C@H](Cn1ccnc1)c1ccco1 40544022 169269592 /nfs/dbraw/zinc/26/95/92/169269592.db2.gz MIKAAVMGCWBMJU-MRVPVSSYSA-N 0 1 177.207 1.176 10 0 ADAEMN N[C@H](c1nccs1)[C@H]1CCOC1 41059881 169269677 /nfs/dbraw/zinc/26/96/77/169269677.db2.gz ARYWHDAMHVBDRK-BQBZGAKWSA-N 0 1 184.264 1.179 10 0 ADAEMN N[C@H](c1ccc(F)cc1)N1CCCC1 26442474 169269735 /nfs/dbraw/zinc/26/97/35/169269735.db2.gz WETYSYLGYLYLSZ-NSHDSACASA-N 0 1 194.253 1.879 10 0 ADAEMN N[C@H](O)c1ccccc1N=O 39064764 169269784 /nfs/dbraw/zinc/26/97/84/169269784.db2.gz OVRUCIHLTNBACQ-SSDOTTSWSA-N 0 1 152.153 1.034 10 0 ADAEMN N[C@H](c1noc(CC2CC2)n1)C1CC1 49732457 169269909 /nfs/dbraw/zinc/26/99/09/169269909.db2.gz SIPQKWWTMYRCKM-VIFPVBQESA-N 0 1 193.250 1.432 10 0 ADAEMN N[C@H](c1ccco1)C1(O)CCCCC1 75598144 169269970 /nfs/dbraw/zinc/26/99/70/169269970.db2.gz GLZAXVVOPVAPBR-SNVBAGLBSA-N 0 1 195.262 1.975 10 0 ADAEMN N[C@H](c1ccccn1)c1ccc[nH]1 11737247 169269973 /nfs/dbraw/zinc/26/99/73/169269973.db2.gz QGKRRCZDGNRZKB-SNVBAGLBSA-N 0 1 173.219 1.458 10 0 ADAEMN N[C@H](c1ccco1)[C@H]1CCCCO1 50963068 169270008 /nfs/dbraw/zinc/27/00/08/169270008.db2.gz FVZPJURQWFARQT-SCZZXKLOSA-N 0 1 181.235 1.849 10 0 ADAEMN N[C@H](c1ccccc1)c1cnccn1 57834631 169270014 /nfs/dbraw/zinc/27/00/14/169270014.db2.gz YBJKKIWQRXZLLI-LLVKDONJSA-N 0 1 185.230 1.525 10 0 ADAEMN N[C@H](c1cncnc1)c1cccs1 52886957 169270035 /nfs/dbraw/zinc/27/00/35/169270035.db2.gz HYBYVFYLAXTPKU-SECBINFHSA-N 0 1 191.259 1.586 10 0 ADAEMN N[C@H](c1ccco1)[C@@H]1CCCO1 43607189 169270057 /nfs/dbraw/zinc/27/00/57/169270057.db2.gz HCAHJDBVCMFDTN-DTWKUNHWSA-N 0 1 167.208 1.458 10 0 ADAEMN N[C@H](c1nccs1)C1CCOCC1 52179394 169270065 /nfs/dbraw/zinc/27/00/65/169270065.db2.gz CTKGZZAOEGNSTA-QMMMGPOBSA-N 0 1 198.291 1.570 10 0 ADAEMN N[C@H](c1nccs1)[C@@H]1CCOC1 41059879 169270103 /nfs/dbraw/zinc/27/01/03/169270103.db2.gz ARYWHDAMHVBDRK-RQJHMYQMSA-N 0 1 184.264 1.179 10 0 ADAEMN N[C@H](c1ccccc1)c1ncc[nH]1 36912384 169270132 /nfs/dbraw/zinc/27/01/32/169270132.db2.gz MRLQZAIZEOTFHT-SECBINFHSA-N 0 1 173.219 1.458 10 0 ADAEMN N[C@H](c1ccncc1)c1ccccn1 41655813 169270139 /nfs/dbraw/zinc/27/01/39/169270139.db2.gz PRYGOHJKZOKHKP-LLVKDONJSA-N 0 1 185.230 1.525 10 0 ADAEMN N[C@H](c1cncnc1)c1ccsc1 52886997 169270198 /nfs/dbraw/zinc/27/01/98/169270198.db2.gz WIMRNFUDFPZQQK-VIFPVBQESA-N 0 1 191.259 1.586 10 0 ADAEMN N[C@H](c1ccco1)[C@@H]1CCCCO1 50963064 169270206 /nfs/dbraw/zinc/27/02/06/169270206.db2.gz FVZPJURQWFARQT-WPRPVWTQSA-N 0 1 181.235 1.849 10 0 ADAEMN N[C@H](c1noc(C2CCC2)n1)C1CC1 41052741 169270305 /nfs/dbraw/zinc/27/03/05/169270305.db2.gz VLHUGUWBOVJOPL-QMMMGPOBSA-N 0 1 193.250 1.747 10 0 ADAEMN N[C@H]1CC(=O)c2cc(Cl)sc21 1654533 169270465 /nfs/dbraw/zinc/27/04/65/169270465.db2.gz BSFAMJFYOYIDDR-BYPYZUCNSA-N 0 1 187.651 1.988 10 0 ADAEMN N[C@H]1CCC(=O)Nc2ccoc21 82403161 169270919 /nfs/dbraw/zinc/27/09/19/169270919.db2.gz QZMXCVXNAWGKDU-YFKPBYRVSA-N 0 1 166.180 1.012 10 0 ADAEMN N[C@H]1CC(=O)Nc2cccc(F)c21 57936266 169271515 /nfs/dbraw/zinc/27/15/15/169271515.db2.gz UUKIUUDNZDPZMC-LURJTMIESA-N 0 1 180.182 1.168 10 0 ADAEMN N[C@H]1CC(=O)Nc2cccc(Cl)c21 57937639 169271621 /nfs/dbraw/zinc/27/16/21/169271621.db2.gz NGWKZSHTPLSPTG-LURJTMIESA-N 0 1 196.637 1.682 10 0 ADAEMN N[C@H]1CCCc2ccccc2C1=O 43651347 169273458 /nfs/dbraw/zinc/27/34/58/169273458.db2.gz NEWVFTLSHKCAGF-JTQLQIEISA-N 0 1 175.231 1.533 10 0 ADAEMN N[C@H]1CCc2ccccc2CC1=O 66076071 169275649 /nfs/dbraw/zinc/27/56/49/169275649.db2.gz CDGUKZZVDUXXJQ-JTQLQIEISA-N 0 1 175.231 1.072 10 0 ADAEMN N[C@H]1CCc2c(Cl)cccc2C1=O 74242937 169276210 /nfs/dbraw/zinc/27/62/10/169276210.db2.gz XRDKMBVKFNDRGQ-VIFPVBQESA-N 0 1 195.649 1.796 10 0 ADAEMN N[C@H]1CCc2ccccc2[C@H](F)C1=O 95564868 169277389 /nfs/dbraw/zinc/27/73/89/169277389.db2.gz DSKVBKPNWWWLLF-UWVGGRQHSA-N 0 1 193.221 1.540 10 0 ADAEMN N[C@H]1Cc2c(Cl)cccc2NC1=O 57937643 169279756 /nfs/dbraw/zinc/27/97/56/169279756.db2.gz PPFKNRWDZIAUEQ-ZETCQYMHSA-N 0 1 196.637 1.162 10 0 ADAEMN N[C@H]1Cc2ccccc2CCC1=O 66075663 169279808 /nfs/dbraw/zinc/27/98/08/169279808.db2.gz DWLCFXRAYGQBEW-JTQLQIEISA-N 0 1 175.231 1.072 10 0 ADAEMN N[C@H]1Cc2cccc3[nH]cc(c23)C1=O 34202646 169280171 /nfs/dbraw/zinc/28/01/71/169280171.db2.gz TVRZWTSDRGJEJY-QMMMGPOBSA-N 0 1 186.214 1.234 10 0 ADAEMN N[C@]1(c2ccccc2)CCCCC1=O 39319758 169282071 /nfs/dbraw/zinc/28/20/71/169282071.db2.gz IXDGGSSUYSFGOK-LBPRGKRZSA-N 0 1 189.258 1.984 10 0 ADAEMN N[C@]1(c2nccs2)CCSC1 41059849 169282130 /nfs/dbraw/zinc/28/21/30/169282130.db2.gz JFCQROFIVRPWNJ-SSDOTTSWSA-N 0 1 186.305 1.434 10 0 ADAEMN Nc1c(F)cc(F)c2[nH]cnc12 1671382 169282517 /nfs/dbraw/zinc/28/25/17/169282517.db2.gz GNLVCEORRJUVOZ-UHFFFAOYSA-N 0 1 169.134 1.423 10 0 ADAEMN Nc1c(O)ccc2ccncc12 39119713 169282586 /nfs/dbraw/zinc/28/25/86/169282586.db2.gz SPWRYHCBHFKKCL-UHFFFAOYSA-N 0 1 160.176 1.523 10 0 ADAEMN Nc1cc(-c2nc[nH]n2)c(F)cc1F 42040786 169284388 /nfs/dbraw/zinc/28/43/88/169284388.db2.gz GVKFDKUSRNMELF-UHFFFAOYSA-N 0 1 196.160 1.332 10 0 ADAEMN Nc1cc(Cl)nc2[nH]cnc12 20058563 169286043 /nfs/dbraw/zinc/28/60/43/169286043.db2.gz KOKAEQZKTBIBOQ-UHFFFAOYSA-N 0 1 168.587 1.194 10 0 ADAEMN Nc1cc(F)c(F)cc1-c1nnc[nH]1 61564112 169286577 /nfs/dbraw/zinc/28/65/77/169286577.db2.gz ZQPOICDEQUBWNT-UHFFFAOYSA-N 0 1 196.160 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FBRTUAOXFXEUDH-VIFPVBQESA-N 0 1 199.294 1.972 10 0 ADAEMN C[C@@]1(c2ccc(F)cc2)COCCN1 11803875 343025056 /nfs/dbraw/zinc/02/50/56/343025056.db2.gz LYOWAOCECBZLRH-NSHDSACASA-N 0 1 195.237 1.661 10 0 ADAEMN C[C@]1(c2ccc(F)cc2)COCCN1 11803877 343025073 /nfs/dbraw/zinc/02/50/73/343025073.db2.gz LYOWAOCECBZLRH-LLVKDONJSA-N 0 1 195.237 1.661 10 0 ADAEMN CCc1ccc([C@H]2COCCN2)cc1 11803317 343025127 /nfs/dbraw/zinc/02/51/27/343025127.db2.gz CXXMWDITRUAQEK-GFCCVEGCSA-N 0 1 191.274 1.910 10 0 ADAEMN Cc1cccc([C@@H]2COCCN2)c1 11803300 343025154 /nfs/dbraw/zinc/02/51/54/343025154.db2.gz JGXBLFNVXDHOTE-NSHDSACASA-N 0 1 177.247 1.656 10 0 ADAEMN CCc1nc(CN)sc1C 11887349 343025884 /nfs/dbraw/zinc/02/58/84/343025884.db2.gz QBXZWWCEKSVSIQ-UHFFFAOYSA-N 0 1 156.254 1.473 10 0 ADAEMN CCc1cnc(CN)s1 11886313 343025990 /nfs/dbraw/zinc/02/59/90/343025990.db2.gz RXAXYPLDNOJHNJ-UHFFFAOYSA-N 0 1 142.227 1.164 10 0 in-vitro ADAEMN Cc1ccc(-c2c[nH]nn2)nc1 13671903 343036644 /nfs/dbraw/zinc/03/66/44/343036644.db2.gz VGDKGGLEMCUKRK-UHFFFAOYSA-N 0 1 160.180 1.175 10 0 ADAEMN Cc1ccsc1C1=NCCN1 13805949 343037383 /nfs/dbraw/zinc/03/73/83/343037383.db2.gz MCGKHSFUMBTMDI-UHFFFAOYSA-N 0 1 166.249 1.406 10 0 ADAEMN CN(C)Cc1cn2ccccc2n1 14218121 343038886 /nfs/dbraw/zinc/03/88/86/343038886.db2.gz SQNUOZZROHZDAK-UHFFFAOYSA-N 0 1 175.235 1.396 10 0 ADAEMN C[C@H]1CC[C@H](C(=O)OC(C)(C)C)N1 14593212 343039564 /nfs/dbraw/zinc/03/95/64/343039564.db2.gz WFOKGSGEJVJMFD-JGVFFNPUSA-N 0 1 185.267 1.469 10 0 ADAEMN Cc1cc(C)c2c(C=O)[nH]nc2c1 14984689 343040541 /nfs/dbraw/zinc/04/05/41/343040541.db2.gz VNDKSFRUCFGLFC-UHFFFAOYSA-N 0 1 174.203 1.992 10 0 in-vitro ADAEMN CCc1ncc2cnccn12 15864735 343043046 /nfs/dbraw/zinc/04/30/46/343043046.db2.gz QOTCUXJEDOJCEI-UHFFFAOYSA-N 0 1 147.181 1.292 10 0 ADAEMN C[N@H+]1CCC[C@](C)(C(=O)[O-])CC1 16697853 343044445 /nfs/dbraw/zinc/04/44/45/343044445.db2.gz NSVXOXZFDOXHOC-VIFPVBQESA-N 0 1 171.240 1.193 10 0 ADAEMN C[N@H+]1CCC[C@@](C)(C(=O)[O-])CC1 16697851 343044777 /nfs/dbraw/zinc/04/47/77/343044777.db2.gz NSVXOXZFDOXHOC-SECBINFHSA-N 0 1 171.240 1.193 10 0 ADAEMN CC(C)N1C[C@@H]2CSC[C@H](C1)C2=O 19865433 343062543 /nfs/dbraw/zinc/06/25/43/343062543.db2.gz CNIJJDPWYJTYGE-DTORHVGOSA-N 0 1 199.319 1.259 10 0 ADAEMN Cc1cc(-c2ccccc2)nc(CN)n1 20440304 343073234 /nfs/dbraw/zinc/07/32/34/343073234.db2.gz GHYSOBVMKDOQGZ-UHFFFAOYSA-N 0 1 199.257 1.911 10 0 ADAEMN C[N@H+]1[C@H]2CC[C@@H]1CC(CC(=O)[O-])C2 20523929 343074247 /nfs/dbraw/zinc/07/42/47/343074247.db2.gz CFLMZWGSEVZEHU-CBLAIPOGSA-N 0 1 183.251 1.334 10 0 ADAEMN C[N@H+]1[C@H]2CC[C@@H]1CC(=CC(=O)[O-])C2 20523923 343074368 /nfs/dbraw/zinc/07/43/68/343074368.db2.gz GQPQTOXAXDEEAO-DTORHVGOSA-N 0 1 181.235 1.254 10 0 ADAEMN NNc1noc2ccccc12 24327942 343085982 /nfs/dbraw/zinc/08/59/82/343085982.db2.gz UEKBLJFFBJIMBT-UHFFFAOYSA-N 0 1 149.153 1.113 10 0 ADAEMN CN1CCC[C@H](F)C1 26176122 343087310 /nfs/dbraw/zinc/08/73/10/343087310.db2.gz ILKFXNHVQAQVMJ-LURJTMIESA-N 0 1 117.167 1.050 10 0 ADAEMN Fc1c[nH]c2ccncc12 26059915 343087580 /nfs/dbraw/zinc/08/75/80/343087580.db2.gz KUOOMFWUWYNGCW-UHFFFAOYSA-N 0 1 136.129 1.702 10 0 ADAEMN CCc1nc2ccncc2[nH]1 26439583 343087817 /nfs/dbraw/zinc/08/78/17/343087817.db2.gz OGAVLUMPEJJADN-UHFFFAOYSA-N 0 1 147.181 1.520 10 0 ADAEMN CCc1nc2cnccc2[nH]1 26439583 343087818 /nfs/dbraw/zinc/08/78/18/343087818.db2.gz OGAVLUMPEJJADN-UHFFFAOYSA-N 0 1 147.181 1.520 10 0 ADAEMN Cc1cc(O)c2c(=O)ccc(O)c-2o1 27216203 343091070 /nfs/dbraw/zinc/09/10/70/343091070.db2.gz DZNDULZELVTJGJ-UHFFFAOYSA-N 0 1 192.170 1.513 10 0 ADAEMN Cc1n[nH]c2c1[C@@H](O)CC(C)(C)C2 27666372 343091102 /nfs/dbraw/zinc/09/11/02/343091102.db2.gz GBXIUCRUYNBLER-QMMMGPOBSA-N 0 1 180.251 1.724 10 0 ADAEMN CN(C)/C=C\c1ccncc1 31872728 343094315 /nfs/dbraw/zinc/09/43/15/343094315.db2.gz OWVFJYJLBSWYII-YVMONPNESA-N 0 1 148.209 1.614 10 0 ADAEMN CC(C)c1csc(NC(=O)CN)n1 31959491 343094935 /nfs/dbraw/zinc/09/49/35/343094935.db2.gz RFRHEWGIORUSNN-UHFFFAOYSA-N 0 1 199.279 1.164 10 0 ADAEMN C[C@H]1CO[C@H](c2ccco2)CN1 32006445 343095677 /nfs/dbraw/zinc/09/56/77/343095677.db2.gz HZBKHOOQHPATQQ-CBAPKCEASA-N 0 1 167.208 1.329 10 0 ADAEMN C[C@H]1CO[C@H](c2ccccc2F)CN1 32009169 343096684 /nfs/dbraw/zinc/09/66/84/343096684.db2.gz MZHPVXBFRDVAQT-KWQFWETISA-N 0 1 195.237 1.875 10 0 ADAEMN C[C@H]1CO[C@@H](c2ccccc2F)CN1 32009166 343096909 /nfs/dbraw/zinc/09/69/09/343096909.db2.gz MZHPVXBFRDVAQT-GZMMTYOYSA-N 0 1 195.237 1.875 10 0 ADAEMN CCOC(=O)[C@@H]1CCCCCN1C 32136179 343098237 /nfs/dbraw/zinc/09/82/37/343098237.db2.gz WDEKGIHZFOSLJT-VIFPVBQESA-N 0 1 185.267 1.424 10 0 ADAEMN Cc1n[nH]c(Cc2ccccc2)n1 32212096 343100785 /nfs/dbraw/zinc/10/07/85/343100785.db2.gz UNNZAVKDDQJDRP-UHFFFAOYSA-N 0 1 173.219 1.704 10 0 ADAEMN Cc1nnc(Cc2ccccc2)[nH]1 32212096 343100786 /nfs/dbraw/zinc/10/07/86/343100786.db2.gz UNNZAVKDDQJDRP-UHFFFAOYSA-N 0 1 173.219 1.704 10 0 ADAEMN Cc1nc(C)c(C(=S)S)[nH]1 33607798 343105450 /nfs/dbraw/zinc/10/54/50/343105450.db2.gz IYGWFIIGWCNJAR-UHFFFAOYSA-N 0 1 172.278 1.632 10 0 ADAEMN CCc1nnc([C@H]2CCCCN2)[nH]1 33799679 343106426 /nfs/dbraw/zinc/10/64/26/343106426.db2.gz UOYZLOGYAFPRCY-SSDOTTSWSA-N 0 1 180.255 1.182 10 0 ADAEMN CCc1nnc([C@@H]2CCCCN2)[nH]1 33799678 343106525 /nfs/dbraw/zinc/10/65/25/343106525.db2.gz UOYZLOGYAFPRCY-ZETCQYMHSA-N 0 1 180.255 1.182 10 0 ADAEMN Cc1ncc(O)c(=S)[nH]1 33845328 343107478 /nfs/dbraw/zinc/10/74/78/343107478.db2.gz NPSGUNCJECVTIP-UHFFFAOYSA-N 0 1 142.183 1.153 10 0 ADAEMN c1cc(-c2cn[nH]n2)cs1 33975169 343108617 /nfs/dbraw/zinc/10/86/17/343108617.db2.gz DWPHFTAAGNIEEL-UHFFFAOYSA-N 0 1 151.194 1.533 10 0 ADAEMN c1csc(-c2cn[nH]n2)c1 34049626 343108982 /nfs/dbraw/zinc/10/89/82/343108982.db2.gz QWZVHIYHAVSECN-UHFFFAOYSA-N 0 1 151.194 1.533 10 0 ADAEMN Nc1ccc(-c2c[nH]nn2)cc1Cl 34049829 343109054 /nfs/dbraw/zinc/10/90/54/343109054.db2.gz FETAEODXHKRKLJ-UHFFFAOYSA-N 0 1 194.625 1.707 10 0 ADAEMN N#C[C@@H]1CCOc2ccccc2C1=O 34068984 343109320 /nfs/dbraw/zinc/10/93/20/343109320.db2.gz KIEHHAWEFOETGN-QMMMGPOBSA-N 0 1 187.198 1.792 10 0 ADAEMN N#CC1CCOc2ccccc2C1=O 34068984 343109322 /nfs/dbraw/zinc/10/93/22/343109322.db2.gz KIEHHAWEFOETGN-QMMMGPOBSA-N 0 1 187.198 1.792 10 0 ADAEMN [O-]c1ccc(-[n+]2ccccc2)cc1 34075799 343109713 /nfs/dbraw/zinc/10/97/13/343109713.db2.gz QRZXKDLBXVTGNJ-UHFFFAOYSA-O 0 1 172.207 1.669 10 0 ADAEMN COc1c(F)cc(O)c(F)c1F 34075921 343109896 /nfs/dbraw/zinc/10/98/96/343109896.db2.gz JRLLKOUGKYJYSG-UHFFFAOYSA-N 0 1 178.109 1.818 10 0 ADAEMN CCOC(=O)C(C)(C)N1CCCC1 34213654 343113811 /nfs/dbraw/zinc/11/38/11/343113811.db2.gz CJPGWIJUHQBYJT-UHFFFAOYSA-N 0 1 185.267 1.424 10 0 ADAEMN CNCC(=O)c1ccc(F)cc1 34301892 343116032 /nfs/dbraw/zinc/11/60/32/343116032.db2.gz GMMHJSFSRVDNIZ-UHFFFAOYSA-N 0 1 167.183 1.228 10 0 ADAEMN O=c1[nH]sc2cc(O)ccc12 34413304 343118576 /nfs/dbraw/zinc/11/85/76/343118576.db2.gz KGQNRHJHQZOOOM-UHFFFAOYSA-N 0 1 167.189 1.708 10 0 ADAEMN Cc1ccc2nc(N)nc(N)c2c1C 34478418 343120151 /nfs/dbraw/zinc/12/01/51/343120151.db2.gz HPRNBMGYEBRSGZ-UHFFFAOYSA-N 0 1 188.234 1.411 10 0 ADAEMN C1=NCCCN1c1ccccc1 34515345 343120657 /nfs/dbraw/zinc/12/06/57/343120657.db2.gz WLBHBMZBEPDGJD-UHFFFAOYSA-N 0 1 160.220 1.925 10 0 ADAEMN COc1cccc(C=N)c1O 34527699 343121092 /nfs/dbraw/zinc/12/10/92/343121092.db2.gz MBWHMGTWXGNZHW-UHFFFAOYSA-N 0 1 151.165 1.398 10 0 ADAEMN Cc1cc(CN)oc1C 34588275 343122663 /nfs/dbraw/zinc/12/26/63/343122663.db2.gz UCBATGNMXGXKRM-UHFFFAOYSA-N 0 1 125.171 1.355 10 0 ADAEMN CCCN1CCc2[nH]c(=O)sc2C1 34669913 343124187 /nfs/dbraw/zinc/12/41/87/343124187.db2.gz JVUFJNAQJAAJAS-UHFFFAOYSA-N 0 1 198.291 1.205 10 0 ADAEMN CNCC(=O)c1cccc(F)c1 34844882 343125600 /nfs/dbraw/zinc/12/56/00/343125600.db2.gz HHGKWCBVDVFDFM-UHFFFAOYSA-N 0 1 167.183 1.228 10 0 ADAEMN Cc1n[nH]c(Cc2ccc(F)cc2)n1 34979024 343127248 /nfs/dbraw/zinc/12/72/48/343127248.db2.gz BTEWBKAZQVAPEE-UHFFFAOYSA-N 0 1 191.209 1.843 10 0 ADAEMN Cc1nnc(Cc2ccc(F)cc2)[nH]1 34979024 343127251 /nfs/dbraw/zinc/12/72/51/343127251.db2.gz BTEWBKAZQVAPEE-UHFFFAOYSA-N 0 1 191.209 1.843 10 0 ADAEMN 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179.267 1.527 10 0 ADAEMN C[C@@H]1CCc2nc(CO)[nH]c2C1 68945835 343416124 /nfs/dbraw/zinc/41/61/24/343416124.db2.gz AWDDHBFSOWJMNW-ZCFIWIBFSA-N 0 1 166.224 1.027 10 0 ADAEMN NCc1nc2c([nH]1)CCCCC2 68945900 343416161 /nfs/dbraw/zinc/41/61/61/343416161.db2.gz ZSMSGYHFGYODBV-UHFFFAOYSA-N 0 1 165.240 1.137 10 0 ADAEMN C[C@H]1CCc2nc(C=O)[nH]c2C1 68945611 343416245 /nfs/dbraw/zinc/41/62/45/343416245.db2.gz OEBRHRBHFWXLFL-LURJTMIESA-N 0 1 164.208 1.347 10 0 ADAEMN CC(C)[C@H]1CCc2nc(C=O)[nH]c2C1 68945622 343416231 /nfs/dbraw/zinc/41/62/31/343416231.db2.gz XJXSLUMWYAAURJ-QMMMGPOBSA-N 0 1 192.262 1.983 10 0 ADAEMN CC[C@H]1CCc2nc(CO)[nH]c2C1 68945857 343416235 /nfs/dbraw/zinc/41/62/35/343416235.db2.gz VSEZAGNGVLXSKK-ZETCQYMHSA-N 0 1 180.251 1.417 10 0 ADAEMN N[C@H](c1cccnc1)c1ccoc1 68979640 343418648 /nfs/dbraw/zinc/41/86/48/343418648.db2.gz CNYHFYKKMWGQCU-SNVBAGLBSA-N 0 1 174.203 1.723 10 0 ADAEMN N[C@H](Cc1cccnc1)c1ccco1 68980006 343418698 /nfs/dbraw/zinc/41/86/98/343418698.db2.gz 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MADBAAAQUKLHRW-UHFFFAOYSA-N 0 1 161.208 1.479 10 0 ADAEMN Cc1n[nH]c(CC[C@H]2CCCCO2)n1 68992049 343419990 /nfs/dbraw/zinc/41/99/90/343419990.db2.gz FEVYKQXXKOCNGJ-SECBINFHSA-N 0 1 195.266 1.615 10 0 ADAEMN Cc1n[nH]c(CC[C@@H]2CCCCO2)n1 68992045 343420214 /nfs/dbraw/zinc/42/02/14/343420214.db2.gz FEVYKQXXKOCNGJ-VIFPVBQESA-N 0 1 195.266 1.615 10 0 ADAEMN Cn1nccc1[C@@H](N)c1ccsc1 69020435 343421528 /nfs/dbraw/zinc/42/15/28/343421528.db2.gz ORAHMENMBVAJKA-VIFPVBQESA-N 0 1 193.275 1.530 10 0 ADAEMN Cn1nccc1[C@@H](N)c1cccs1 69020339 343421549 /nfs/dbraw/zinc/42/15/49/343421549.db2.gz FTQYJHNFHMVOMX-SECBINFHSA-N 0 1 193.275 1.530 10 0 ADAEMN Cn1nccc1[C@H](N)c1ccsc1 69020432 343421595 /nfs/dbraw/zinc/42/15/95/343421595.db2.gz ORAHMENMBVAJKA-SECBINFHSA-N 0 1 193.275 1.530 10 0 ADAEMN Cn1nccc1[C@H](N)c1cccs1 69020335 343421663 /nfs/dbraw/zinc/42/16/63/343421663.db2.gz FTQYJHNFHMVOMX-VIFPVBQESA-N 0 1 193.275 1.530 10 0 ADAEMN CCn1ccnc1[C@H](N)C(C)(C)C 69048064 343423473 /nfs/dbraw/zinc/42/34/73/343423473.db2.gz GZWAZZPKHZVMCG-QMMMGPOBSA-N 0 1 181.283 1.949 10 0 ADAEMN CNCc1occc1Br 69049540 343424191 /nfs/dbraw/zinc/42/41/91/343424191.db2.gz GJDUSFFHDUZJPH-UHFFFAOYSA-N 0 1 190.040 1.762 10 0 ADAEMN NCc1occc1Br 69049538 343424254 /nfs/dbraw/zinc/42/42/54/343424254.db2.gz WOYDNGDVDJDDFG-UHFFFAOYSA-N 0 1 176.013 1.501 10 0 ADAEMN CC(=O)[C@@H]1CCCCN1[C@@H]1CCOC1 69626790 343427586 /nfs/dbraw/zinc/42/75/86/343427586.db2.gz RAYHRQQFBANXDZ-MNOVXSKESA-N 0 1 197.278 1.219 10 0 ADAEMN CC(=O)[C@H]1CCCCN1[C@@H]1CCOC1 69626792 343427723 /nfs/dbraw/zinc/42/77/23/343427723.db2.gz RAYHRQQFBANXDZ-GHMZBOCLSA-N 0 1 197.278 1.219 10 0 ADAEMN Cc1ccsc1-c1c[nH]c(CN)n1 69636637 343430034 /nfs/dbraw/zinc/43/00/34/343430034.db2.gz JJJWLFMHBVLCLY-UHFFFAOYSA-N 0 1 193.275 1.905 10 0 ADAEMN CC(C)CNC(=N)c1ccncn1 69640084 343431014 /nfs/dbraw/zinc/43/10/14/343431014.db2.gz MPZJWPYOVJWSHD-UHFFFAOYSA-N 0 1 178.239 1.048 10 0 ADAEMN CC(C)(C)NC(=N)c1ccncn1 69640083 343431054 /nfs/dbraw/zinc/43/10/54/343431054.db2.gz HEAPXQGUSCSFTB-UHFFFAOYSA-N 0 1 178.239 1.190 10 0 ADAEMN Cc1n[nH]c([C@@H](C)C(C)C)n1 69687999 343434604 /nfs/dbraw/zinc/43/46/04/343434604.db2.gz AHUZAVHUZMQEDE-LURJTMIESA-N 0 1 153.229 1.873 10 0 ADAEMN Cc1nnc([C@@H](C)C(C)C)[nH]1 69687999 343434606 /nfs/dbraw/zinc/43/46/06/343434606.db2.gz AHUZAVHUZMQEDE-LURJTMIESA-N 0 1 153.229 1.873 10 0 ADAEMN Cc1n[nH]c([C@H](C)C(C)C)n1 69688002 343434620 /nfs/dbraw/zinc/43/46/20/343434620.db2.gz AHUZAVHUZMQEDE-ZCFIWIBFSA-N 0 1 153.229 1.873 10 0 ADAEMN Cc1nnc([C@H](C)C(C)C)[nH]1 69688002 343434621 /nfs/dbraw/zinc/43/46/21/343434621.db2.gz AHUZAVHUZMQEDE-ZCFIWIBFSA-N 0 1 153.229 1.873 10 0 ADAEMN CC(C)[C@@H](C)c1nc([C@H](C)N)no1 69690960 343435109 /nfs/dbraw/zinc/43/51/09/343435109.db2.gz FMHHMSKGYYKLSJ-RQJHMYQMSA-N 0 1 183.255 1.849 10 0 ADAEMN CC(C)[C@H](C)c1nc([C@H](C)N)no1 69690961 343435160 /nfs/dbraw/zinc/43/51/60/343435160.db2.gz FMHHMSKGYYKLSJ-BQBZGAKWSA-N 0 1 183.255 1.849 10 0 ADAEMN CC(C)[C@@H](C)c1nc([C@@H](C)N)no1 69690954 343435172 /nfs/dbraw/zinc/43/51/72/343435172.db2.gz FMHHMSKGYYKLSJ-RNFRBKRXSA-N 0 1 183.255 1.849 10 0 ADAEMN CC(C)[C@H](C)c1nc([C@@H](C)N)no1 69690957 343435178 /nfs/dbraw/zinc/43/51/78/343435178.db2.gz FMHHMSKGYYKLSJ-NKWVEPMBSA-N 0 1 183.255 1.849 10 0 ADAEMN Nc1nn(-c2ccncc2)cc1Cl 69759882 343439129 /nfs/dbraw/zinc/43/91/29/343439129.db2.gz IRIIJZRCLKUMCJ-UHFFFAOYSA-N 0 1 194.625 1.503 10 0 ADAEMN C[C@@H]1CSCCN1[C@@H]1CCCC1=O 69761220 343439873 /nfs/dbraw/zinc/43/98/73/343439873.db2.gz KSEGGMSCKYIQNQ-RKDXNWHRSA-N 0 1 199.319 1.545 10 0 ADAEMN C[C@H]1CSCCN1[C@@H]1CCCC1=O 69761221 343439917 /nfs/dbraw/zinc/43/99/17/343439917.db2.gz KSEGGMSCKYIQNQ-DTWKUNHWSA-N 0 1 199.319 1.545 10 0 ADAEMN Cc1nonc1CNC(C)(C)C 69794708 343442342 /nfs/dbraw/zinc/44/23/42/343442342.db2.gz FRLFFWJGTGWPBZ-UHFFFAOYSA-N 0 1 169.228 1.266 10 0 ADAEMN Cc1nonc1CNC1CCC1 69795179 343442391 /nfs/dbraw/zinc/44/23/91/343442391.db2.gz CJVIBNQODRVIHE-UHFFFAOYSA-N 0 1 167.212 1.020 10 0 ADAEMN C[C@@H](CC(=O)[O-])[N@H+]1CCCC(C)(C)C1 69793551 343442413 /nfs/dbraw/zinc/44/24/13/343442413.db2.gz OMBZSCJIXXXCFQ-VIFPVBQESA-N 0 1 199.294 1.972 10 0 ADAEMN C[C@H](CC(=O)[O-])[N@H+]1CCCC(C)(C)C1 69793552 343442574 /nfs/dbraw/zinc/44/25/74/343442574.db2.gz OMBZSCJIXXXCFQ-SECBINFHSA-N 0 1 199.294 1.972 10 0 ADAEMN CC[C@@H](C)C(=O)c1cnccc1N 69844697 343446712 /nfs/dbraw/zinc/44/67/12/343446712.db2.gz HSUAARGWOYWDHY-SSDOTTSWSA-N 0 1 178.235 1.893 10 0 ADAEMN Nc1ccncc1C(=O)c1ccncc1 69844552 343446823 /nfs/dbraw/zinc/44/68/23/343446823.db2.gz OGGMBQVHVRHTFS-UHFFFAOYSA-N 0 1 199.213 1.290 10 0 ADAEMN Nc1ccncc1C(=O)c1ccccn1 69844544 343446840 /nfs/dbraw/zinc/44/68/40/343446840.db2.gz QDPQRLAXZPLQMX-UHFFFAOYSA-N 0 1 199.213 1.290 10 0 ADAEMN CSCC(=O)c1cnccc1N 69844675 343446925 /nfs/dbraw/zinc/44/69/25/343446925.db2.gz BHEKVNBDUXRUNB-UHFFFAOYSA-N 0 1 182.248 1.210 10 0 ADAEMN CC[C@H](C)C(=O)c1cnccc1N 69844699 343447018 /nfs/dbraw/zinc/44/70/18/343447018.db2.gz HSUAARGWOYWDHY-ZETCQYMHSA-N 0 1 178.235 1.893 10 0 ADAEMN Nc1ccncc1[C@@H](N)c1ccco1 69845621 343447315 /nfs/dbraw/zinc/44/73/15/343447315.db2.gz HRZIQSUKYVZWAK-SNVBAGLBSA-N 0 1 189.218 1.305 10 0 ADAEMN Nc1cc(CC[C@@H]2CCCO2)ccn1 69942497 343457845 /nfs/dbraw/zinc/45/78/45/343457845.db2.gz RLFQCPYXESPHBJ-JTQLQIEISA-N 0 1 192.262 1.775 10 0 ADAEMN Nc1cc(CC2CCOCC2)ccn1 69942587 343457865 /nfs/dbraw/zinc/45/78/65/343457865.db2.gz PWNBVMFUKHTUGJ-UHFFFAOYSA-N 0 1 192.262 1.633 10 0 ADAEMN COC[C@@H](C)c1c(C)ccnc1N 69942721 343457941 /nfs/dbraw/zinc/45/79/41/343457941.db2.gz RDNAGMKESXDKFG-MRVPVSSYSA-N 0 1 180.251 1.722 10 0 ADAEMN COC[C@H](C)c1c(C)ccnc1N 69942720 343457964 /nfs/dbraw/zinc/45/79/64/343457964.db2.gz RDNAGMKESXDKFG-QMMMGPOBSA-N 0 1 180.251 1.722 10 0 ADAEMN Nc1cc(CC[C@H]2CCCO2)ccn1 69942498 343457968 /nfs/dbraw/zinc/45/79/68/343457968.db2.gz RLFQCPYXESPHBJ-SNVBAGLBSA-N 0 1 192.262 1.775 10 0 ADAEMN Cc1ccnc(N)c1[C@@H]1CCOC1 69942653 343458118 /nfs/dbraw/zinc/45/81/18/343458118.db2.gz ZHCLDTGKODDYTF-MRVPVSSYSA-N 0 1 178.235 1.476 10 0 ADAEMN COCCc1c(C)ccnc1N 69942686 343458123 /nfs/dbraw/zinc/45/81/23/343458123.db2.gz NNFTYYDKGQDALH-UHFFFAOYSA-N 0 1 166.224 1.161 10 0 ADAEMN Nc1cc(C[C@@H]2CCOC2)ccn1 69942531 343458173 /nfs/dbraw/zinc/45/81/73/343458173.db2.gz RIBZPBSYLGUDQP-VIFPVBQESA-N 0 1 178.235 1.243 10 0 ADAEMN Cc1ccnc(N)c1[C@H]1CCOC1 69942654 343458194 /nfs/dbraw/zinc/45/81/94/343458194.db2.gz ZHCLDTGKODDYTF-QMMMGPOBSA-N 0 1 178.235 1.476 10 0 ADAEMN Nc1cc(C[C@H]2CCOC2)ccn1 69942532 343458303 /nfs/dbraw/zinc/45/83/03/343458303.db2.gz RIBZPBSYLGUDQP-SECBINFHSA-N 0 1 178.235 1.243 10 0 ADAEMN Cc1cnc(N)c(C[C@H]2CCCO2)c1 69943144 343458542 /nfs/dbraw/zinc/45/85/42/343458542.db2.gz YCDSQIPJOKKASY-SNVBAGLBSA-N 0 1 192.262 1.694 10 0 ADAEMN Cc1cnc(N)c([C@@H]2CCOC2)c1 69943178 343458677 /nfs/dbraw/zinc/45/86/77/343458677.db2.gz OWVAVDOQVOMLMO-MRVPVSSYSA-N 0 1 178.235 1.476 10 0 ADAEMN Cc1cnc(N)c([C@H]2CCOC2)c1 69943179 343458851 /nfs/dbraw/zinc/45/88/51/343458851.db2.gz OWVAVDOQVOMLMO-QMMMGPOBSA-N 0 1 178.235 1.476 10 0 ADAEMN Cc1cnc(N)c(C[C@@H]2CCCO2)c1 69943143 343458884 /nfs/dbraw/zinc/45/88/84/343458884.db2.gz YCDSQIPJOKKASY-JTQLQIEISA-N 0 1 192.262 1.694 10 0 ADAEMN CCOC(=O)CN1CCCCC[C@@H]1C 69945195 343459614 /nfs/dbraw/zinc/45/96/14/343459614.db2.gz PSQYQSLPCIZXML-JTQLQIEISA-N 0 1 199.294 1.814 10 0 ADAEMN CCOC(=O)CN1CCCCC[C@H]1C 69945197 343459660 /nfs/dbraw/zinc/45/96/60/343459660.db2.gz PSQYQSLPCIZXML-SNVBAGLBSA-N 0 1 199.294 1.814 10 0 ADAEMN CCn1nccc1[C@@H](N)c1ccoc1 69946371 343459777 /nfs/dbraw/zinc/45/97/77/343459777.db2.gz GWTGODLXRLZYES-JTQLQIEISA-N 0 1 191.234 1.544 10 0 ADAEMN Nc1ccncc1C(=O)c1ccoc1 69946186 343459938 /nfs/dbraw/zinc/45/99/38/343459938.db2.gz JXOLAAUYXKXDQD-UHFFFAOYSA-N 0 1 188.186 1.488 10 0 ADAEMN CCn1nccc1[C@H](N)c1ccoc1 69946369 343460141 /nfs/dbraw/zinc/46/01/41/343460141.db2.gz GWTGODLXRLZYES-SNVBAGLBSA-N 0 1 191.234 1.544 10 0 ADAEMN CN[C@@H](c1ccoc1)c1ccnn1C 69946805 343460419 /nfs/dbraw/zinc/46/04/19/343460419.db2.gz XZYHWHOWDSMRIO-JTQLQIEISA-N 0 1 191.234 1.322 10 0 ADAEMN CCn1cc([C@@H](N)c2ccoc2)cn1 69946519 343460435 /nfs/dbraw/zinc/46/04/35/343460435.db2.gz PTBLIPBRCMOSHL-JTQLQIEISA-N 0 1 191.234 1.544 10 0 ADAEMN N[C@H](c1ccoc1)c1cncc(F)c1 69946508 343460439 /nfs/dbraw/zinc/46/04/39/343460439.db2.gz RKPDJCSIIAPEKE-SNVBAGLBSA-N 0 1 192.193 1.862 10 0 ADAEMN CCn1cc([C@H](N)c2ccoc2)cn1 69946518 343460463 /nfs/dbraw/zinc/46/04/63/343460463.db2.gz PTBLIPBRCMOSHL-SNVBAGLBSA-N 0 1 191.234 1.544 10 0 ADAEMN N[C@@H](c1cncnc1)c1ccoc1 69946526 343460576 /nfs/dbraw/zinc/46/05/76/343460576.db2.gz DKVAQXSJVZFUKC-SECBINFHSA-N 0 1 175.191 1.118 10 0 ADAEMN N[C@@H](c1ccoc1)c1cncc(F)c1 69946504 343460600 /nfs/dbraw/zinc/46/06/00/343460600.db2.gz RKPDJCSIIAPEKE-JTQLQIEISA-N 0 1 192.193 1.862 10 0 ADAEMN N[C@H](c1cncnc1)c1ccoc1 69946524 343460617 /nfs/dbraw/zinc/46/06/17/343460617.db2.gz DKVAQXSJVZFUKC-VIFPVBQESA-N 0 1 175.191 1.118 10 0 ADAEMN CN[C@H](c1ccoc1)c1ccnn1C 69946807 343460645 /nfs/dbraw/zinc/46/06/45/343460645.db2.gz XZYHWHOWDSMRIO-SNVBAGLBSA-N 0 1 191.234 1.322 10 0 ADAEMN NC(c1ccoc1)c1ccoc1 69946539 343460724 /nfs/dbraw/zinc/46/07/24/343460724.db2.gz ISFRARIPURVTTL-UHFFFAOYSA-N 0 1 163.176 1.921 10 0 ADAEMN Cn1nccc1[C@H](N)c1ccoc1 69946570 343460744 /nfs/dbraw/zinc/46/07/44/343460744.db2.gz VZWAHGDZVDTDBB-SECBINFHSA-N 0 1 177.207 1.061 10 0 ADAEMN CN1CCC[C@H](Nc2nncs2)C1 69966173 343460967 /nfs/dbraw/zinc/46/09/67/343460967.db2.gz VBPNWOVBZOODGL-ZETCQYMHSA-N 0 1 198.295 1.044 10 0 ADAEMN CN1CCC[C@@H](Nc2nncs2)C1 69966174 343461138 /nfs/dbraw/zinc/46/11/38/343461138.db2.gz VBPNWOVBZOODGL-SSDOTTSWSA-N 0 1 198.295 1.044 10 0 ADAEMN CN1CCC(Nc2nncs2)CC1 69965826 343461240 /nfs/dbraw/zinc/46/12/40/343461240.db2.gz PGWDRGAIHNCKHS-UHFFFAOYSA-N 0 1 198.295 1.044 10 0 ADAEMN CC[C@@H](C)c1cc(CN)on1 69970169 343461798 /nfs/dbraw/zinc/46/17/98/343461798.db2.gz IVLINCPXDXPRCX-ZCFIWIBFSA-N 0 1 154.213 1.647 10 0 ADAEMN NCc1cc(C2CCCC2)no1 69970240 343461943 /nfs/dbraw/zinc/46/19/43/343461943.db2.gz PZBMBXNLMGRVHE-UHFFFAOYSA-N 0 1 166.224 1.791 10 0 ADAEMN CC[C@H](C)c1cc(CN)on1 69970172 343461985 /nfs/dbraw/zinc/46/19/85/343461985.db2.gz IVLINCPXDXPRCX-LURJTMIESA-N 0 1 154.213 1.647 10 0 ADAEMN NCc1cc([C@@H]2CCCOC2)no1 69970186 343462064 /nfs/dbraw/zinc/46/20/64/343462064.db2.gz WAWZPFURWMGPHV-SSDOTTSWSA-N 0 1 182.223 1.027 10 0 ADAEMN NCc1cc([C@H]2CCCOC2)no1 69970188 343462119 /nfs/dbraw/zinc/46/21/19/343462119.db2.gz WAWZPFURWMGPHV-ZETCQYMHSA-N 0 1 182.223 1.027 10 0 ADAEMN NCc1cc(C2CCOCC2)no1 69970179 343462131 /nfs/dbraw/zinc/46/21/31/343462131.db2.gz JHWUDPLIXQIKIW-UHFFFAOYSA-N 0 1 182.223 1.027 10 0 ADAEMN C[C@@H](N)c1noc([C@H]2CCSC2)n1 70004634 343464709 /nfs/dbraw/zinc/46/47/09/343464709.db2.gz LXNXNCOCLSLPBT-RITPCOANSA-N 0 1 199.279 1.310 10 0 ADAEMN Cc1n[nH]c([C@@H]2CCSC2)n1 69985442 343464719 /nfs/dbraw/zinc/46/47/19/343464719.db2.gz ATTFAFHTVRHGSM-ZCFIWIBFSA-N 0 1 169.253 1.334 10 0 ADAEMN Cc1nnc([C@@H]2CCSC2)[nH]1 69985442 343464720 /nfs/dbraw/zinc/46/47/20/343464720.db2.gz ATTFAFHTVRHGSM-ZCFIWIBFSA-N 0 1 169.253 1.334 10 0 ADAEMN CCc1nc([C@H]2CCCS2)n[nH]1 69985451 343464758 /nfs/dbraw/zinc/46/47/58/343464758.db2.gz BSBHDCUJHHWLPQ-ZCFIWIBFSA-N 0 1 183.280 1.935 10 0 ADAEMN C[C@@H](N)c1noc([C@H]2CCCS2)n1 70004644 343464762 /nfs/dbraw/zinc/46/47/62/343464762.db2.gz COPIQGYVHUKOKQ-PHDIDXHHSA-N 0 1 199.279 1.657 10 0 ADAEMN C[C@@H](N)c1noc([C@@H]2CCSC2)n1 70004630 343464783 /nfs/dbraw/zinc/46/47/83/343464783.db2.gz LXNXNCOCLSLPBT-PHDIDXHHSA-N 0 1 199.279 1.310 10 0 ADAEMN C[C@H](N)c1noc([C@@H]2CCSC2)n1 70004628 343464790 /nfs/dbraw/zinc/46/47/90/343464790.db2.gz LXNXNCOCLSLPBT-NTSWFWBYSA-N 0 1 199.279 1.310 10 0 ADAEMN CCc1nnc([C@H]2CCSC2)[nH]1 69985456 343464811 /nfs/dbraw/zinc/46/48/11/343464811.db2.gz BQTIRBSFBKWIOQ-LURJTMIESA-N 0 1 183.280 1.588 10 0 ADAEMN CCc1nc([C@H]2CCSC2)n[nH]1 69985456 343464812 /nfs/dbraw/zinc/46/48/12/343464812.db2.gz BQTIRBSFBKWIOQ-LURJTMIESA-N 0 1 183.280 1.588 10 0 ADAEMN C[C@H](N)c1noc([C@H]2CCCS2)n1 70004642 343464826 /nfs/dbraw/zinc/46/48/26/343464826.db2.gz COPIQGYVHUKOKQ-NTSWFWBYSA-N 0 1 199.279 1.657 10 0 ADAEMN CCc1nc([C@@H]2CCCS2)n[nH]1 69985449 343464831 /nfs/dbraw/zinc/46/48/31/343464831.db2.gz BSBHDCUJHHWLPQ-LURJTMIESA-N 0 1 183.280 1.935 10 0 ADAEMN Cc1nc([C@H]2CCCS2)n[nH]1 69985427 343464840 /nfs/dbraw/zinc/46/48/40/343464840.db2.gz FSTHEAPBAJBWNN-ZCFIWIBFSA-N 0 1 169.253 1.681 10 0 ADAEMN Cc1nc([C@@H]2CCCS2)n[nH]1 69985426 343464844 /nfs/dbraw/zinc/46/48/44/343464844.db2.gz FSTHEAPBAJBWNN-LURJTMIESA-N 0 1 169.253 1.681 10 0 ADAEMN CSCCc1nc2ccncc2[nH]1 69985650 343464863 /nfs/dbraw/zinc/46/48/63/343464863.db2.gz KPIFBFMCRKGENB-UHFFFAOYSA-N 0 1 193.275 1.863 10 0 ADAEMN CSCCc1nc2cnccc2[nH]1 69985650 343464865 /nfs/dbraw/zinc/46/48/65/343464865.db2.gz KPIFBFMCRKGENB-UHFFFAOYSA-N 0 1 193.275 1.863 10 0 ADAEMN C[C@@H](N)c1noc([C@@H]2CCCS2)n1 70004639 343464871 /nfs/dbraw/zinc/46/48/71/343464871.db2.gz COPIQGYVHUKOKQ-RITPCOANSA-N 0 1 199.279 1.657 10 0 ADAEMN CCc1nnc([C@@H]2CCSC2)[nH]1 69985454 343464890 /nfs/dbraw/zinc/46/48/90/343464890.db2.gz BQTIRBSFBKWIOQ-ZCFIWIBFSA-N 0 1 183.280 1.588 10 0 ADAEMN CCc1nc([C@@H]2CCSC2)n[nH]1 69985454 343464893 /nfs/dbraw/zinc/46/48/93/343464893.db2.gz BQTIRBSFBKWIOQ-ZCFIWIBFSA-N 0 1 183.280 1.588 10 0 ADAEMN C1C[C@H](c2nc(C3CC3)n[nH]2)CS1 69985486 343464934 /nfs/dbraw/zinc/46/49/34/343464934.db2.gz ZHSQJEZGIQATKA-ZETCQYMHSA-N 0 1 195.291 1.903 10 0 ADAEMN C1C[C@H](c2n[nH]c(C3CC3)n2)CS1 69985486 343464936 /nfs/dbraw/zinc/46/49/36/343464936.db2.gz ZHSQJEZGIQATKA-ZETCQYMHSA-N 0 1 195.291 1.903 10 0 ADAEMN Cc1n[nH]c([C@H]2CCSC2)n1 69985444 343465005 /nfs/dbraw/zinc/46/50/05/343465005.db2.gz ATTFAFHTVRHGSM-LURJTMIESA-N 0 1 169.253 1.334 10 0 ADAEMN Cc1nnc([C@H]2CCSC2)[nH]1 69985444 343465007 /nfs/dbraw/zinc/46/50/07/343465007.db2.gz ATTFAFHTVRHGSM-LURJTMIESA-N 0 1 169.253 1.334 10 0 ADAEMN CSCc1nc([C@H]2CCCN2)no1 70004605 343465011 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JFEBCLYOOUVIKO-BYPYZUCNSA-N 0 1 189.165 1.432 10 0 ADAEMN C[NH2+]Cc1nc(C(C)(C)C)cc(=O)[n-]1 70947457 343542418 /nfs/dbraw/zinc/54/24/18/343542418.db2.gz AAHISJXWDUFQLE-UHFFFAOYSA-N 0 1 195.266 1.199 10 0 ADAEMN Cc1nc(C[NH3+])[n-]c(=O)c1C(C)C 70947516 343542494 /nfs/dbraw/zinc/54/24/94/343542494.db2.gz IDWSDWLBKMFFQM-UHFFFAOYSA-N 0 1 181.239 1.073 10 0 ADAEMN Cc1cnc([C@H]2CCCCN2)nc1 70946856 343542629 /nfs/dbraw/zinc/54/26/29/343542629.db2.gz WXALDPBXTDSCAU-SECBINFHSA-N 0 1 177.251 1.600 10 0 ADAEMN Cc1cc(C)nc([C@H](N)C2CC2)n1 70948441 343542784 /nfs/dbraw/zinc/54/27/84/343542784.db2.gz XRHOYPAPOWOQGX-SECBINFHSA-N 0 1 177.251 1.503 10 0 ADAEMN Cc1cc(C)nc([C@@H](N)C2CC2)n1 70948446 343542792 /nfs/dbraw/zinc/54/27/92/343542792.db2.gz XRHOYPAPOWOQGX-VIFPVBQESA-N 0 1 177.251 1.503 10 0 ADAEMN CC[C@H](N)c1nc(C)c(C)c(C)n1 70947957 343542850 /nfs/dbraw/zinc/54/28/50/343542850.db2.gz WQHBBBXEDSDDOH-VIFPVBQESA-N 0 1 179.267 1.812 10 0 ADAEMN CC[C@H]([NH3+])c1nc(C(C)C)cc(=O)[n-]1 70947925 343542857 /nfs/dbraw/zinc/54/28/57/343542857.db2.gz UVWNMHUMVCDJRI-ZETCQYMHSA-N 0 1 195.266 1.303 10 0 ADAEMN CCc1c(C)nc([C@H]([NH3+])CC)[n-]c1=O 70947945 343542885 /nfs/dbraw/zinc/54/28/85/343542885.db2.gz VHXPWDKOIZSPFP-MRVPVSSYSA-N 0 1 195.266 1.051 10 0 ADAEMN Cc1nc([C@@H](N)C2CC2)nc(C)c1C 70948518 343542896 /nfs/dbraw/zinc/54/28/96/343542896.db2.gz ODJGIUASNKJDNV-JTQLQIEISA-N 0 1 191.278 1.812 10 0 ADAEMN Cc1nc([C@@H](C)[NH3+])[n-]c(=O)c1C(C)C 70947580 343542992 /nfs/dbraw/zinc/54/29/92/343542992.db2.gz DXLQZJAQTROGRN-ZCFIWIBFSA-N 0 1 195.266 1.221 10 0 ADAEMN CCc1c(C)nc([C@@H]([NH3+])CC)[n-]c1=O 70947949 343543022 /nfs/dbraw/zinc/54/30/22/343543022.db2.gz VHXPWDKOIZSPFP-QMMMGPOBSA-N 0 1 195.266 1.051 10 0 ADAEMN Cc1cnc([C@H](N)C(C)(C)C)nc1 70948355 343543039 /nfs/dbraw/zinc/54/30/39/343543039.db2.gz IILJYJIYKAXJFA-QMMMGPOBSA-N 0 1 179.267 1.831 10 0 ADAEMN CCC[C@H](N)c1nc(C)cc(C)n1 70948055 343543087 /nfs/dbraw/zinc/54/30/87/343543087.db2.gz HUIOSVDLKDMIDH-VIFPVBQESA-N 0 1 179.267 1.893 10 0 ADAEMN Cc1nc([C@H](N)C2CC2)nc(C)c1C 70948512 343543098 /nfs/dbraw/zinc/54/30/98/343543098.db2.gz ODJGIUASNKJDNV-SNVBAGLBSA-N 0 1 191.278 1.812 10 0 ADAEMN Cc1ccnc([C@@H](N)C(C)(C)C)n1 70948407 343543105 /nfs/dbraw/zinc/54/31/05/343543105.db2.gz GVAFNKASXAAHRM-MRVPVSSYSA-N 0 1 179.267 1.831 10 0 ADAEMN CCC[C@@H](N)c1nc(C)cc(C)n1 70948058 343543131 /nfs/dbraw/zinc/54/31/31/343543131.db2.gz HUIOSVDLKDMIDH-SECBINFHSA-N 0 1 179.267 1.893 10 0 ADAEMN CC[C@@H]([NH3+])c1nc(C(C)C)cc(=O)[n-]1 70947928 343543135 /nfs/dbraw/zinc/54/31/35/343543135.db2.gz UVWNMHUMVCDJRI-SSDOTTSWSA-N 0 1 195.266 1.303 10 0 ADAEMN Cc1cnc([C@H](N)C2CC2)nc1 70948488 343543161 /nfs/dbraw/zinc/54/31/61/343543161.db2.gz ADLSDXWUQPDESV-MRVPVSSYSA-N 0 1 163.224 1.195 10 0 ADAEMN Cc1cc(C)nc(CNC(C)C)n1 70948962 343543616 /nfs/dbraw/zinc/54/36/16/343543616.db2.gz NIHLNVSDKAMMIS-UHFFFAOYSA-N 0 1 179.267 1.591 10 0 ADAEMN Cc1cc(C(C)C)nc([C@@H](C)N)n1 70950804 343543727 /nfs/dbraw/zinc/54/37/27/343543727.db2.gz WHGJEZGIBAYFOF-MRVPVSSYSA-N 0 1 179.267 1.928 10 0 ADAEMN Cc1cc(C(C)(C)C)nc(CN)n1 70950789 343543773 /nfs/dbraw/zinc/54/37/73/343543773.db2.gz LSSODPYWYMNSIU-UHFFFAOYSA-N 0 1 179.267 1.541 10 0 ADAEMN Cc1cc(C2CC2)nc([C@H](C)N)n1 70950809 343543825 /nfs/dbraw/zinc/54/38/25/343543825.db2.gz XDAZJBVHIOAQOD-ZETCQYMHSA-N 0 1 177.251 1.682 10 0 ADAEMN CC(C)(N)c1nccc(C2CC2)n1 70951893 343543831 /nfs/dbraw/zinc/54/38/31/343543831.db2.gz LROXOSJIMHXYCQ-UHFFFAOYSA-N 0 1 177.251 1.548 10 0 ADAEMN CCc1cc(C2CC2)nc([C@@H](C)N)n1 70952465 343543900 /nfs/dbraw/zinc/54/39/00/343543900.db2.gz BGVMWLRYKRJTNS-SSDOTTSWSA-N 0 1 191.278 1.936 10 0 ADAEMN CCc1cc(C2CC2)nc(CN)n1 70952435 343543917 /nfs/dbraw/zinc/54/39/17/343543917.db2.gz FKOXAHJOZYVWBW-UHFFFAOYSA-N 0 1 177.251 1.375 10 0 ADAEMN CCc1cc(C)nc([C@@H](N)CC)n1 70950869 343543953 /nfs/dbraw/zinc/54/39/53/343543953.db2.gz JOUWPKSEGHZUGY-VIFPVBQESA-N 0 1 179.267 1.757 10 0 ADAEMN CCc1cc(C)nc([C@H](N)C2CC2)n1 70951024 343543958 /nfs/dbraw/zinc/54/39/58/343543958.db2.gz PFQYRFGLWDRWFN-SNVBAGLBSA-N 0 1 191.278 1.757 10 0 ADAEMN CCc1cc(CC)nc(CN)n1 70951423 343543967 /nfs/dbraw/zinc/54/39/67/343543967.db2.gz GGZIJHVFYPHQDP-UHFFFAOYSA-N 0 1 165.240 1.060 10 0 ADAEMN CCc1cc(C2CC2)nc([C@H](C)N)n1 70952469 343543975 /nfs/dbraw/zinc/54/39/75/343543975.db2.gz BGVMWLRYKRJTNS-ZETCQYMHSA-N 0 1 191.278 1.936 10 0 ADAEMN CC[C@H](N)c1nccc(C2CC2)n1 70951743 343543995 /nfs/dbraw/zinc/54/39/95/343543995.db2.gz QUSILAMXXXWMCP-QMMMGPOBSA-N 0 1 177.251 1.764 10 0 ADAEMN CC[C@@H](N)c1nccc(C2CC2)n1 70951747 343544022 /nfs/dbraw/zinc/54/40/22/343544022.db2.gz QUSILAMXXXWMCP-MRVPVSSYSA-N 0 1 177.251 1.764 10 0 ADAEMN CCc1cc(C)nc([C@@H](N)C2CC2)n1 70951027 343544025 /nfs/dbraw/zinc/54/40/25/343544025.db2.gz PFQYRFGLWDRWFN-JTQLQIEISA-N 0 1 191.278 1.757 10 0 ADAEMN NCc1nc(C2CC2)cc(C2CC2)n1 70952437 343544040 /nfs/dbraw/zinc/54/40/40/343544040.db2.gz BXVABHGRWWJABV-UHFFFAOYSA-N 0 1 189.262 1.690 10 0 ADAEMN N[C@H](c1nccc(C2CC2)n1)C1CC1 70951869 343544066 /nfs/dbraw/zinc/54/40/66/343544066.db2.gz QIFRMRJVGBNTST-JTQLQIEISA-N 0 1 189.262 1.764 10 0 ADAEMN Cc1cc(C2CCCC2)nc(CN)n1 70951332 343544072 /nfs/dbraw/zinc/54/40/72/343544072.db2.gz UZBJEHDLQMIEEF-UHFFFAOYSA-N 0 1 191.278 1.901 10 0 ADAEMN Cc1cc(C(C)C)nc([C@H](C)N)n1 70950805 343544078 /nfs/dbraw/zinc/54/40/78/343544078.db2.gz WHGJEZGIBAYFOF-QMMMGPOBSA-N 0 1 179.267 1.928 10 0 ADAEMN N[C@@H](c1nccc(C2CC2)n1)C1CC1 70951865 343544084 /nfs/dbraw/zinc/54/40/84/343544084.db2.gz QIFRMRJVGBNTST-SNVBAGLBSA-N 0 1 189.262 1.764 10 0 ADAEMN C[C@H](N)c1nccc(C(C)(C)C)n1 70951673 343544098 /nfs/dbraw/zinc/54/40/98/343544098.db2.gz RHIDGACHRTYVKZ-ZETCQYMHSA-N 0 1 179.267 1.794 10 0 ADAEMN Cc1cc(C2CC2)nc([C@@H](C)N)n1 70950807 343544108 /nfs/dbraw/zinc/54/41/08/343544108.db2.gz XDAZJBVHIOAQOD-SSDOTTSWSA-N 0 1 177.251 1.682 10 0 ADAEMN Cc1cc(C(C)C)nc(CN)n1 70950778 343544123 /nfs/dbraw/zinc/54/41/23/343544123.db2.gz YNGZNZJBRKVQNM-UHFFFAOYSA-N 0 1 165.240 1.367 10 0 ADAEMN CCc1cc(C)nc([C@H](N)CC)n1 70950865 343544127 /nfs/dbraw/zinc/54/41/27/343544127.db2.gz JOUWPKSEGHZUGY-SECBINFHSA-N 0 1 179.267 1.757 10 0 ADAEMN CN(C)Cc1c(N)cccc1F 70961506 343544854 /nfs/dbraw/zinc/54/48/54/343544854.db2.gz GFCSWQKNQHDBRP-UHFFFAOYSA-N 0 1 168.215 1.470 10 0 ADAEMN CCc1cc(C)cnc1N 70989264 343546356 /nfs/dbraw/zinc/54/63/56/343546356.db2.gz IALOQQPCXWFVOF-UHFFFAOYSA-N 0 1 136.198 1.535 10 0 ADAEMN Cc1csc([C@@]2(N)CCOC2)n1 70993088 343546606 /nfs/dbraw/zinc/54/66/06/343546606.db2.gz XSGFIOSYVLMTMC-MRVPVSSYSA-N 0 1 184.264 1.026 10 0 ADAEMN CCN[C@@]1(c2nccs2)CCOC1 70993147 343546739 /nfs/dbraw/zinc/54/67/39/343546739.db2.gz PXLMWFUMIODGKM-VIFPVBQESA-N 0 1 198.291 1.368 10 0 ADAEMN Cc1nc([C@@]2(N)CCOC2)sc1C 70993095 343546773 /nfs/dbraw/zinc/54/67/73/343546773.db2.gz DTDYEVZOJASQNS-SECBINFHSA-N 0 1 198.291 1.334 10 0 ADAEMN CN[C@@]1(c2nc(C)cs2)CCOC1 70993119 343546798 /nfs/dbraw/zinc/54/67/98/343546798.db2.gz DJGJPDUYPVMSFH-VIFPVBQESA-N 0 1 198.291 1.287 10 0 ADAEMN Cc1csc([C@]2(N)CCOC2)n1 70993087 343546900 /nfs/dbraw/zinc/54/69/00/343546900.db2.gz XSGFIOSYVLMTMC-QMMMGPOBSA-N 0 1 184.264 1.026 10 0 ADAEMN CCN[C@]1(c2nccs2)CCOC1 70993145 343546905 /nfs/dbraw/zinc/54/69/05/343546905.db2.gz PXLMWFUMIODGKM-SECBINFHSA-N 0 1 198.291 1.368 10 0 ADAEMN CN[C@]1(c2nc(C)cs2)CCOC1 70993121 343546998 /nfs/dbraw/zinc/54/69/98/343546998.db2.gz DJGJPDUYPVMSFH-SECBINFHSA-N 0 1 198.291 1.287 10 0 ADAEMN Cc1nc([C@]2(N)CCOC2)sc1C 70993094 343547005 /nfs/dbraw/zinc/54/70/05/343547005.db2.gz DTDYEVZOJASQNS-VIFPVBQESA-N 0 1 198.291 1.334 10 0 ADAEMN C[C@@H](N[C@@H]1CCCOC1)c1cc[nH]n1 71010659 343547636 /nfs/dbraw/zinc/54/76/36/343547636.db2.gz TYKSQRBSXNLPOV-RKDXNWHRSA-N 0 1 195.266 1.239 10 0 ADAEMN NNc1ncnc2c1CCCCC2 71002759 343547739 /nfs/dbraw/zinc/54/77/39/343547739.db2.gz NLVXVHKAYWNIQQ-UHFFFAOYSA-N 0 1 178.239 1.031 10 0 ADAEMN C[C@H](N[C@H]1CCCOC1)c1cc[nH]n1 71010662 343547774 /nfs/dbraw/zinc/54/77/74/343547774.db2.gz TYKSQRBSXNLPOV-IUCAKERBSA-N 0 1 195.266 1.239 10 0 ADAEMN C[C@@H](N[C@H]1CCCOC1)c1cc[nH]n1 71010666 343547780 /nfs/dbraw/zinc/54/77/80/343547780.db2.gz TYKSQRBSXNLPOV-BDAKNGLRSA-N 0 1 195.266 1.239 10 0 ADAEMN CC[C@H]([NH3+])c1nc(C2CC2)cc(=O)[n-]1 71009137 343547806 /nfs/dbraw/zinc/54/78/06/343547806.db2.gz BCIIUJHPVKGKPO-ZETCQYMHSA-N 0 1 193.250 1.057 10 0 ADAEMN CNc1cc(C2CC2)nc(N(C)C)n1 71007116 343547839 /nfs/dbraw/zinc/54/78/39/343547839.db2.gz WMDQEIMQOSCEOW-UHFFFAOYSA-N 0 1 192.266 1.462 10 0 ADAEMN CN(C)c1nc(N)cc(C2CC2)n1 71006964 343547871 /nfs/dbraw/zinc/54/78/71/343547871.db2.gz WTMLUJIRTGUDHS-UHFFFAOYSA-N 0 1 178.239 1.002 10 0 ADAEMN C[C@H](N[C@@H]1CCCOC1)c1cc[nH]n1 71010655 343547896 /nfs/dbraw/zinc/54/78/96/343547896.db2.gz TYKSQRBSXNLPOV-DTWKUNHWSA-N 0 1 195.266 1.239 10 0 ADAEMN CN(C)CCc1nnc(Cl)s1 71050927 343549760 /nfs/dbraw/zinc/54/97/60/343549760.db2.gz VOQIBHBLVQZQTG-UHFFFAOYSA-N 0 1 191.687 1.296 10 0 ADAEMN Cc1cc(=O)[n-]c([C@H]([NH3+])C(C)(C)C)n1 71396839 343552461 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/nfs/dbraw/zinc/77/15/44/343771544.db2.gz KTLVBRGYKPPKFL-UHFFFAOYSA-N 0 1 136.131 1.908 10 0 ADAEMN CC[N@@H+]1CC=C(CC(=O)[O-])CC1 117030806 343771655 /nfs/dbraw/zinc/77/16/55/343771655.db2.gz WASPNZLUPGMVCT-UHFFFAOYSA-N 0 1 169.224 1.113 10 0 ADAEMN CSC[C@H](C)NCc1nccn1C 125000747 343788325 /nfs/dbraw/zinc/78/83/25/343788325.db2.gz GUVMTAFPJKIVCQ-QMMMGPOBSA-N 0 1 199.323 1.261 10 0 ADAEMN CC(C)Oc1nc[nH]c(=O)c1Cl 126686894 343795478 /nfs/dbraw/zinc/79/54/78/343795478.db2.gz SDNJOMJFLNFTLS-UHFFFAOYSA-N 0 1 188.614 1.211 10 0 ADAEMN O=C([O-])/C=C1/CC[N@H+]2CCC[C@@H]2C1 126736116 343796639 /nfs/dbraw/zinc/79/66/39/343796639.db2.gz JDIQTDOMBYIYBJ-UFGYOYAJSA-N 0 1 181.235 1.256 10 0 ADAEMN O=C([O-])/C=C1/CC[N@H+]2CCC[C@H]2C1 126736359 343796874 /nfs/dbraw/zinc/79/68/74/343796874.db2.gz JDIQTDOMBYIYBJ-FUOZMLNRSA-N 0 1 181.235 1.256 10 0 ADAEMN Cc1nc(-c2ncc(CO)[nH]2)cs1 126860950 343798670 /nfs/dbraw/zinc/79/86/70/343798670.db2.gz PSNSDBLPMIASFS-UHFFFAOYSA-N 0 1 195.247 1.334 10 0 ADAEMN Cc1cc(N(C)C2CCC2)ncc1N 127128788 343804953 /nfs/dbraw/zinc/80/49/53/343804953.db2.gz HDEGZABTUJFRNO-UHFFFAOYSA-N 0 1 191.278 1.961 10 0 ADAEMN Cn1cnc(C2CCC2)c1N 127232474 343807839 /nfs/dbraw/zinc/80/78/39/343807839.db2.gz JROIISNHEQLGCA-UHFFFAOYSA-N 0 1 151.213 1.270 10 0 ADAEMN C[C@@H]1C[C@@](N)(c2nccs2)CN1C 127397894 343810858 /nfs/dbraw/zinc/81/08/58/343810858.db2.gz WAXOTGMAIGMESR-APPZFPTMSA-N 0 1 197.307 1.021 10 0 ADAEMN C[C@H]1C[C@@](N)(c2nccs2)CN1C 127398100 343810912 /nfs/dbraw/zinc/81/09/12/343810912.db2.gz WAXOTGMAIGMESR-CBAPKCEASA-N 0 1 197.307 1.021 10 0 ADAEMN C[C@H]1C[C@](N)(c2nccs2)CN1C 127397680 343810948 /nfs/dbraw/zinc/81/09/48/343810948.db2.gz WAXOTGMAIGMESR-IONNQARKSA-N 0 1 197.307 1.021 10 0 ADAEMN COCc1nc2c([nH]1)[C@H](C)CCC2 127473708 343812268 /nfs/dbraw/zinc/81/22/68/343812268.db2.gz BMSHFIXQSIAXCM-SSDOTTSWSA-N 0 1 180.251 1.996 10 0 ADAEMN C[C@@H]1CCCc2nc[nH]c21 127465330 343812392 /nfs/dbraw/zinc/81/23/92/343812392.db2.gz XZXBCQVPLQCINV-ZCFIWIBFSA-N 0 1 136.198 1.850 10 0 ADAEMN COc1nc2c([nH]1)CCC[C@@H]2C 127481579 343812414 /nfs/dbraw/zinc/81/24/14/343812414.db2.gz ZXGVKEXSQZFKMV-LURJTMIESA-N 0 1 166.224 1.858 10 0 ADAEMN COCc1nc2c([nH]1)C[C@H](C)[C@H](C)C2 127502333 343812485 /nfs/dbraw/zinc/81/24/85/343812485.db2.gz SACZINBYETXBHD-OCAPTIKFSA-N 0 1 194.278 1.927 10 0 ADAEMN C[C@H]1CCCc2nc[nH]c21 127465586 343812526 /nfs/dbraw/zinc/81/25/26/343812526.db2.gz XZXBCQVPLQCINV-LURJTMIESA-N 0 1 136.198 1.850 10 0 ADAEMN COc1nc2c([nH]1)C[C@H](C)[C@H](C)C2 127506939 343812581 /nfs/dbraw/zinc/81/25/81/343812581.db2.gz JEOYEFJVPIPJKB-KNVOCYPGSA-N 0 1 180.251 1.789 10 0 ADAEMN COCc1nc2c([nH]1)[C@@H](C)CCC2 127473935 343812600 /nfs/dbraw/zinc/81/26/00/343812600.db2.gz BMSHFIXQSIAXCM-ZETCQYMHSA-N 0 1 180.251 1.996 10 0 ADAEMN C[C@H]1CCCc2nc(CN(C)C)[nH]c21 127483021 343812614 /nfs/dbraw/zinc/81/26/14/343812614.db2.gz GMAVFRPAZZITQX-QMMMGPOBSA-N 0 1 193.294 1.911 10 0 ADAEMN COc1nc2c([nH]1)CCC[C@H]2C 127481377 343812772 /nfs/dbraw/zinc/81/27/72/343812772.db2.gz ZXGVKEXSQZFKMV-ZCFIWIBFSA-N 0 1 166.224 1.858 10 0 ADAEMN C[C@@H]1CCCc2nc(CN(C)C)[nH]c21 127482801 343812786 /nfs/dbraw/zinc/81/27/86/343812786.db2.gz GMAVFRPAZZITQX-MRVPVSSYSA-N 0 1 193.294 1.911 10 0 ADAEMN COc1nc2c([nH]1)C[C@@H](C)CC2 127536723 343813003 /nfs/dbraw/zinc/81/30/03/343813003.db2.gz JTZWRLQBYADYRU-LURJTMIESA-N 0 1 166.224 1.543 10 0 ADAEMN NNc1cc(C2CCCC2)ncn1 127523710 343813021 /nfs/dbraw/zinc/81/30/21/343813021.db2.gz SHSLPVJDIBYLEV-UHFFFAOYSA-N 0 1 178.239 1.420 10 0 ADAEMN COCc1nc2c([nH]1)C[C@@H](C)CC2 127528970 343813082 /nfs/dbraw/zinc/81/30/82/343813082.db2.gz FOJJFPVNJTWLMX-ZETCQYMHSA-N 0 1 180.251 1.681 10 0 ADAEMN COCc1nc2c([nH]1)C[C@H](C)CC2 127528738 343813143 /nfs/dbraw/zinc/81/31/43/343813143.db2.gz FOJJFPVNJTWLMX-SSDOTTSWSA-N 0 1 180.251 1.681 10 0 ADAEMN COc1nc2c([nH]1)C[C@H](C)CC2 127536503 343813187 /nfs/dbraw/zinc/81/31/87/343813187.db2.gz JTZWRLQBYADYRU-ZCFIWIBFSA-N 0 1 166.224 1.543 10 0 ADAEMN CCOc1nc2c([nH]1)C[C@@H](C)CC2 127543052 343813233 /nfs/dbraw/zinc/81/32/33/343813233.db2.gz SKJUEKDPSZPJBD-ZETCQYMHSA-N 0 1 180.251 1.933 10 0 ADAEMN C[C@H]1CCc2nc(CN(C)C)[nH]c2C1 127538219 343813309 /nfs/dbraw/zinc/81/33/09/343813309.db2.gz WPCOPRAHBTUFFT-QMMMGPOBSA-N 0 1 193.294 1.596 10 0 ADAEMN COCCc1nc2c([nH]1)C[C@@H](C)CC2 127540132 343813344 /nfs/dbraw/zinc/81/33/44/343813344.db2.gz VHJIMOSAXMCXSA-QMMMGPOBSA-N 0 1 194.278 1.723 10 0 ADAEMN CCOc1nc2c([nH]1)C[C@H](C)CC2 127542774 343813389 /nfs/dbraw/zinc/81/33/89/343813389.db2.gz SKJUEKDPSZPJBD-SSDOTTSWSA-N 0 1 180.251 1.933 10 0 ADAEMN C[C@@H]1CCc2nc(CN(C)C)[nH]c2C1 127537981 343813447 /nfs/dbraw/zinc/81/34/47/343813447.db2.gz WPCOPRAHBTUFFT-MRVPVSSYSA-N 0 1 193.294 1.596 10 0 ADAEMN CC[C@@H]1CCc2nc(OC)[nH]c2C1 127557812 343813994 /nfs/dbraw/zinc/81/39/94/343813994.db2.gz UMPICIUVHHXIPM-SSDOTTSWSA-N 0 1 180.251 1.933 10 0 ADAEMN CC[C@H]1CCc2nc(OC)[nH]c2C1 127557936 343814031 /nfs/dbraw/zinc/81/40/31/343814031.db2.gz UMPICIUVHHXIPM-ZETCQYMHSA-N 0 1 180.251 1.933 10 0 ADAEMN CC[C@@H]1CCc2nc[nH]c2C1 127549368 343814128 /nfs/dbraw/zinc/81/41/28/343814128.db2.gz KYALHPMHSXPJEY-SSDOTTSWSA-N 0 1 150.225 1.925 10 0 ADAEMN C[C@H](O)CNc1ccc2c(n1)CCC2 127579486 343814549 /nfs/dbraw/zinc/81/45/49/343814549.db2.gz QWAUGCPSMYPYMR-QMMMGPOBSA-N 0 1 192.262 1.363 10 0 ADAEMN C[C@@H](O)CNc1ccc2c(n1)CCC2 127579730 343814635 /nfs/dbraw/zinc/81/46/35/343814635.db2.gz QWAUGCPSMYPYMR-MRVPVSSYSA-N 0 1 192.262 1.363 10 0 ADAEMN CC(C)C[N@H+]1CCCC[C@@]1(C)C(=O)[O-] 127613537 343815080 /nfs/dbraw/zinc/81/50/80/343815080.db2.gz CQPFECWMUCLNMR-NSHDSACASA-N 0 1 199.294 1.972 10 0 ADAEMN CC(C)C[N@H+]1CCCC[C@]1(C)C(=O)[O-] 127613781 343815162 /nfs/dbraw/zinc/81/51/62/343815162.db2.gz CQPFECWMUCLNMR-LLVKDONJSA-N 0 1 199.294 1.972 10 0 ADAEMN CC[N@H+]1CCCC[C@@]1(C)C(=O)[O-] 127612546 343815175 /nfs/dbraw/zinc/81/51/75/343815175.db2.gz JIQIVTVWJVBEIV-VIFPVBQESA-N 0 1 171.240 1.336 10 0 ADAEMN CC[N@H+]1CCCC[C@]1(C)C(=O)[O-] 127612762 343815237 /nfs/dbraw/zinc/81/52/37/343815237.db2.gz JIQIVTVWJVBEIV-SECBINFHSA-N 0 1 171.240 1.336 10 0 ADAEMN CC(C)[N@H+]1CCCC[C@@]1(C)C(=O)[O-] 127620784 343815511 /nfs/dbraw/zinc/81/55/11/343815511.db2.gz UVWPVKGMZWRJSX-JTQLQIEISA-N 0 1 185.267 1.724 10 0 ADAEMN C[C@@]1(C(=O)[O-])CCCC[N@H+]1CCF 127635754 343815524 /nfs/dbraw/zinc/81/55/24/343815524.db2.gz NFWSHOKFXVUVGR-VIFPVBQESA-N 0 1 189.230 1.285 10 0 ADAEMN CCC[N@H+]1CCCC[C@@]1(C)C(=O)[O-] 127634158 343815534 /nfs/dbraw/zinc/81/55/34/343815534.db2.gz YMCHMWGTUDWUPY-JTQLQIEISA-N 0 1 185.267 1.726 10 0 ADAEMN CC(C)[N@H+]1CCCC[C@]1(C)C(=O)[O-] 127621043 343815711 /nfs/dbraw/zinc/81/57/11/343815711.db2.gz UVWPVKGMZWRJSX-SNVBAGLBSA-N 0 1 185.267 1.724 10 0 ADAEMN C[C@]1(C(=O)[O-])CCCC[N@H+]1CCF 127635605 343815764 /nfs/dbraw/zinc/81/57/64/343815764.db2.gz NFWSHOKFXVUVGR-SECBINFHSA-N 0 1 189.230 1.285 10 0 ADAEMN CCC[N@H+]1CCCC[C@]1(C)C(=O)[O-] 127634379 343815873 /nfs/dbraw/zinc/81/58/73/343815873.db2.gz YMCHMWGTUDWUPY-SNVBAGLBSA-N 0 1 185.267 1.726 10 0 ADAEMN Cc1cc([C@@H](N)c2ccnn2C)co1 127647062 343816196 /nfs/dbraw/zinc/81/61/96/343816196.db2.gz SBEKCBBCFUPUBI-SNVBAGLBSA-N 0 1 191.234 1.370 10 0 ADAEMN Cc1cc([C@H](N)c2ccnn2C)co1 127646858 343816289 /nfs/dbraw/zinc/81/62/89/343816289.db2.gz SBEKCBBCFUPUBI-JTQLQIEISA-N 0 1 191.234 1.370 10 0 ADAEMN C/C=C/C[N@H+]1CCCC[C@]1(C)C(=O)[O-] 127648980 343816356 /nfs/dbraw/zinc/81/63/56/343816356.db2.gz SICRBZVQWNCEHI-PGLGOXFNSA-N 0 1 197.278 1.892 10 0 ADAEMN C/C=C/C[N@H+]1CCCC[C@@]1(C)C(=O)[O-] 127648738 343816480 /nfs/dbraw/zinc/81/64/80/343816480.db2.gz SICRBZVQWNCEHI-UFFNRZRYSA-N 0 1 197.278 1.892 10 0 ADAEMN Cc1nnc([C@]2(C)CCCCN2)[nH]1 127649799 343816484 /nfs/dbraw/zinc/81/64/84/343816484.db2.gz NNTTZTJRLXXMQJ-VIFPVBQESA-N 0 1 180.255 1.102 10 0 ADAEMN CCc1nnc([C@]2(C)CCCCN2)[nH]1 127650296 343816506 /nfs/dbraw/zinc/81/65/06/343816506.db2.gz WNKFTNNQVOHRLQ-JTQLQIEISA-N 0 1 194.282 1.356 10 0 ADAEMN CN[C@]1(C(F)(F)F)C[C@H](C)N(C)C1 127778661 343818971 /nfs/dbraw/zinc/81/89/71/343818971.db2.gz KJHZAKQOARXMEG-NKWVEPMBSA-N 0 1 196.216 1.231 10 0 ADAEMN CN[C@]1(C(F)(F)F)C[C@@H](C)N(C)C1 127778449 343819035 /nfs/dbraw/zinc/81/90/35/343819035.db2.gz KJHZAKQOARXMEG-RNFRBKRXSA-N 0 1 196.216 1.231 10 0 ADAEMN CN[C@@]1(C(F)(F)F)C[C@@H](C)N(C)C1 127778888 343819158 /nfs/dbraw/zinc/81/91/58/343819158.db2.gz KJHZAKQOARXMEG-RQJHMYQMSA-N 0 1 196.216 1.231 10 0 ADAEMN CN[C@@]1(C(F)(F)F)C[C@H](C)N(C)C1 127779104 343819244 /nfs/dbraw/zinc/81/92/44/343819244.db2.gz KJHZAKQOARXMEG-BQBZGAKWSA-N 0 1 196.216 1.231 10 0 ADAEMN Cc1n[nH]c(NC(=O)OCC(C)C)n1 127844291 343820234 /nfs/dbraw/zinc/82/02/34/343820234.db2.gz QISJDRXMDSWIDS-UHFFFAOYSA-N 0 1 198.226 1.318 10 0 ADAEMN Cc1nc(NC(=O)OCC(C)C)n[nH]1 127844291 343820235 /nfs/dbraw/zinc/82/02/35/343820235.db2.gz QISJDRXMDSWIDS-UHFFFAOYSA-N 0 1 198.226 1.318 10 0 ADAEMN Cc1n[nH]c(NC(=O)OC(C)C)n1 127847522 343820348 /nfs/dbraw/zinc/82/03/48/343820348.db2.gz TYXCTHFOJQLRBO-UHFFFAOYSA-N 0 1 184.199 1.070 10 0 ADAEMN Cc1nc(NC(=O)OC(C)C)n[nH]1 127847522 343820351 /nfs/dbraw/zinc/82/03/51/343820351.db2.gz TYXCTHFOJQLRBO-UHFFFAOYSA-N 0 1 184.199 1.070 10 0 ADAEMN CCC(C)(C)[C@@H](N)c1nccn1C 128024151 343823480 /nfs/dbraw/zinc/82/34/80/343823480.db2.gz IGQFIMAFFKIIBG-QMMMGPOBSA-N 0 1 181.283 1.856 10 0 ADAEMN CCC(C)(C)[C@H](N)c1nccn1C 128023914 343823762 /nfs/dbraw/zinc/82/37/62/343823762.db2.gz IGQFIMAFFKIIBG-MRVPVSSYSA-N 0 1 181.283 1.856 10 0 ADAEMN C(=C/[C@H]1COCCN1)\c1cccs1 128101871 343824749 /nfs/dbraw/zinc/82/47/49/343824749.db2.gz VTMIDHPRCUAGMO-NWALNABHSA-N 0 1 195.287 1.750 10 0 ADAEMN N[C@@H](c1cnccn1)[C@H]1CCCCO1 128141921 343825686 /nfs/dbraw/zinc/82/56/86/343825686.db2.gz VSOWYUWBKFUSNB-ZJUUUORDSA-N 0 1 193.250 1.046 10 0 ADAEMN N[C@H](c1cnccn1)[C@@H]1CCCCO1 128141683 343825794 /nfs/dbraw/zinc/82/57/94/343825794.db2.gz VSOWYUWBKFUSNB-VHSXEESVSA-N 0 1 193.250 1.046 10 0 ADAEMN N[C@H](c1cnccn1)[C@H]1CCCCO1 128142148 343825859 /nfs/dbraw/zinc/82/58/59/343825859.db2.gz VSOWYUWBKFUSNB-NXEZZACHSA-N 0 1 193.250 1.046 10 0 ADAEMN N[C@@H](c1cnccn1)[C@@H]1CCCCO1 128141442 343826008 /nfs/dbraw/zinc/82/60/08/343826008.db2.gz VSOWYUWBKFUSNB-UWVGGRQHSA-N 0 1 193.250 1.046 10 0 ADAEMN NCc1ncnn1C1CCCCCC1 128476365 343832942 /nfs/dbraw/zinc/83/29/42/343832942.db2.gz JHEWHSNBCDNSDT-UHFFFAOYSA-N 0 1 194.282 1.632 10 0 ADAEMN COC1(c2ncc(CO)[nH]2)CCCC1 128950418 343840829 /nfs/dbraw/zinc/84/08/29/343840829.db2.gz TVDAYGCXISXLFC-UHFFFAOYSA-N 0 1 196.250 1.318 10 0 ADAEMN CCC1(NC(=O)C(F)(F)F)CCC1 128983155 343842059 /nfs/dbraw/zinc/84/20/59/343842059.db2.gz MUYWIWIGDJYTBI-UHFFFAOYSA-N 0 1 195.184 1.998 10 0 ADAEMN CCSCCNCc1ccn(C)n1 129070448 343843626 /nfs/dbraw/zinc/84/36/26/343843626.db2.gz BBYYPOOOTNJEPD-UHFFFAOYSA-N 0 1 199.323 1.263 10 0 ADAEMN C[C@@H]([NH3+])Cc1cc(F)c([O-])c(F)c1 129135788 343845007 /nfs/dbraw/zinc/84/50/07/343845007.db2.gz MXVPEJYQFCKPPF-RXMQYKEDSA-N 0 1 187.189 1.560 10 0 ADAEMN C[C@H]([NH3+])Cc1cc(F)c([O-])c(F)c1 129135575 343845024 /nfs/dbraw/zinc/84/50/24/343845024.db2.gz MXVPEJYQFCKPPF-YFKPBYRVSA-N 0 1 187.189 1.560 10 0 ADAEMN C(=C/[C@H]1COCCN1)\c1ccsc1 129405588 343849132 /nfs/dbraw/zinc/84/91/32/343849132.db2.gz DZVZHXVIGZNSTL-YOLVWIGZSA-N 0 1 195.287 1.750 10 0 ADAEMN C(=C/[C@H]1COCCN1)\c1nccs1 129405108 343849288 /nfs/dbraw/zinc/84/92/88/343849288.db2.gz YFAGNVOXTOWCNW-CMLYIYFCSA-N 0 1 196.275 1.145 10 0 ADAEMN CC[C@@H](N)c1cnco1 129377880 343849443 /nfs/dbraw/zinc/84/94/43/343849443.db2.gz AKHRHTWELIDTLS-RXMQYKEDSA-N 0 1 126.159 1.084 10 0 ADAEMN C(=C/[C@@H]1COCCN1)\c1ccsc1 129405354 343849476 /nfs/dbraw/zinc/84/94/76/343849476.db2.gz DZVZHXVIGZNSTL-TXXBHVLJSA-N 0 1 195.287 1.750 10 0 ADAEMN CN[C@@H](C)c1nc2ncccc2o1 129465877 343850555 /nfs/dbraw/zinc/85/05/55/343850555.db2.gz SHKZMBXWRPNWLA-LURJTMIESA-N 0 1 177.207 1.503 10 0 ADAEMN CCNCc1nc2ncccc2o1 129475320 343850991 /nfs/dbraw/zinc/85/09/91/343850991.db2.gz CFFBASAZWVMJQM-UHFFFAOYSA-N 0 1 177.207 1.332 10 0 ADAEMN O[C@@H](c1nnc[nH]1)C1CCCCCC1 129483306 343851076 /nfs/dbraw/zinc/85/10/76/343851076.db2.gz QNNDVMUGUOSITF-SECBINFHSA-N 0 1 195.266 1.809 10 0 ADAEMN O[C@H](c1nnc[nH]1)C1CCCCCC1 129483527 343851205 /nfs/dbraw/zinc/85/12/05/343851205.db2.gz QNNDVMUGUOSITF-VIFPVBQESA-N 0 1 195.266 1.809 10 0 ADAEMN CC[C@@](C)(N)c1nc2ncccc2o1 129468740 343851248 /nfs/dbraw/zinc/85/12/48/343851248.db2.gz KSWCKWYDCOOZQF-SNVBAGLBSA-N 0 1 191.234 1.807 10 0 ADAEMN CC[C@](C)(N)c1nc2ncccc2o1 129468545 343851546 /nfs/dbraw/zinc/85/15/46/343851546.db2.gz KSWCKWYDCOOZQF-JTQLQIEISA-N 0 1 191.234 1.807 10 0 ADAEMN CNCc1nc2nc(C)ccc2o1 129523059 343851624 /nfs/dbraw/zinc/85/16/24/343851624.db2.gz JKHYGFNRQORVCU-UHFFFAOYSA-N 0 1 177.207 1.251 10 0 ADAEMN NC1(c2nc3ncccc3o2)CCC1 129493378 343851640 /nfs/dbraw/zinc/85/16/40/343851640.db2.gz MJDJXVSTJRDDSM-UHFFFAOYSA-N 0 1 189.218 1.561 10 0 ADAEMN CCNCc1nc2nc(C)ccc2o1 129521184 343851679 /nfs/dbraw/zinc/85/16/79/343851679.db2.gz DTQJZUOEJQZMKR-UHFFFAOYSA-N 0 1 191.234 1.641 10 0 ADAEMN CN[C@@H](C)c1nc2nc(C)ccc2o1 129511284 343852094 /nfs/dbraw/zinc/85/20/94/343852094.db2.gz JZADNVQZZLABMM-ZETCQYMHSA-N 0 1 191.234 1.812 10 0 ADAEMN CN[C@H](C)c1nc2nc(C)ccc2o1 129511065 343852121 /nfs/dbraw/zinc/85/21/21/343852121.db2.gz JZADNVQZZLABMM-SSDOTTSWSA-N 0 1 191.234 1.812 10 0 ADAEMN CC(C)N(C)c1cccnc1CN 129530342 343852306 /nfs/dbraw/zinc/85/23/06/343852306.db2.gz JJWUFDWSLSUZFE-UHFFFAOYSA-N 0 1 179.267 1.385 10 0 ADAEMN Cc1ccc2oc(C(C)(C)N)nc2n1 129547379 343852649 /nfs/dbraw/zinc/85/26/49/343852649.db2.gz DXTQXPXHIUJVAF-UHFFFAOYSA-N 0 1 191.234 1.725 10 0 ADAEMN NCc1ncccc1N1CCCC1 129527344 343852672 /nfs/dbraw/zinc/85/26/72/343852672.db2.gz VEUDOVOORMFHPD-UHFFFAOYSA-N 0 1 177.251 1.141 10 0 ADAEMN C[C@@H]1CCCN1c1cccnc1CN 129566880 343852975 /nfs/dbraw/zinc/85/29/75/343852975.db2.gz YZJXIWDBSUFJJS-SECBINFHSA-N 0 1 191.278 1.529 10 0 ADAEMN C[C@H]1CCN(c2cccnc2CN)C1 129569133 343853020 /nfs/dbraw/zinc/85/30/20/343853020.db2.gz KRLMFWMEESGDHM-VIFPVBQESA-N 0 1 191.278 1.387 10 0 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Cc1cc(C2CC2)cnc1N 129731027 343856106 /nfs/dbraw/zinc/85/61/06/343856106.db2.gz IRIMMRMLGHOWPZ-UHFFFAOYSA-N 0 1 148.209 1.850 10 0 ADAEMN CC(C)Oc1cccc2[nH]c(N)nc12 129802012 343856797 /nfs/dbraw/zinc/85/67/97/343856797.db2.gz GZASHNNUYAOFLA-UHFFFAOYSA-N 0 1 191.234 1.932 10 0 ADAEMN Cc1nnc(-c2ccc(F)cn2)[nH]1 129995341 343860004 /nfs/dbraw/zinc/86/00/04/343860004.db2.gz MGCKOAJITQEMMU-UHFFFAOYSA-N 0 1 178.170 1.314 10 0 ADAEMN CCc1nnc(-c2ccc(F)cn2)[nH]1 129995547 343860079 /nfs/dbraw/zinc/86/00/79/343860079.db2.gz JJYNOMKBDLXDOB-UHFFFAOYSA-N 0 1 192.197 1.568 10 0 ADAEMN CCc1n[nH]c(-c2ccc(F)cn2)n1 129995547 343860080 /nfs/dbraw/zinc/86/00/80/343860080.db2.gz JJYNOMKBDLXDOB-UHFFFAOYSA-N 0 1 192.197 1.568 10 0 ADAEMN C[C@H]1C[C@@](O)(Cc2ccco2)C[N@H+]1C 130517764 343869818 /nfs/dbraw/zinc/86/98/18/343869818.db2.gz VJYRSSKUZLLAAU-GXSJLCMTSA-N 0 1 195.262 1.277 10 0 ADAEMN C[C@H]1C[C@](O)(Cc2ccco2)C[N@H+]1C 130517302 343869899 /nfs/dbraw/zinc/86/98/99/343869899.db2.gz 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343880064 /nfs/dbraw/zinc/88/00/64/343880064.db2.gz BIQYAPNJRPBZAZ-UHFFFAOYSA-N 0 1 174.203 1.992 10 0 ADAEMN CSCCc1c(C)ccnc1N 131138079 343880411 /nfs/dbraw/zinc/88/04/11/343880411.db2.gz RELRCDNRQXBZEN-UHFFFAOYSA-N 0 1 182.292 1.878 10 0 ADAEMN CN[C@@H](C)c1ncccc1F 131426020 343885086 /nfs/dbraw/zinc/88/50/86/343885086.db2.gz RHRQCKKPEABHSD-LURJTMIESA-N 0 1 154.188 1.501 10 0 ADAEMN CN[C@H](C)c1ncccc1F 131426254 343885420 /nfs/dbraw/zinc/88/54/20/343885420.db2.gz RHRQCKKPEABHSD-ZCFIWIBFSA-N 0 1 154.188 1.501 10 0 ADAEMN Cc1nc(C(C)C)nc2c1CNC2 131601773 343887123 /nfs/dbraw/zinc/88/71/23/343887123.db2.gz XWDNZRZAILOIBA-UHFFFAOYSA-N 0 1 177.251 1.512 10 0 ADAEMN CCCc1nc(C)nc2c1CNC2 131793269 343888796 /nfs/dbraw/zinc/88/87/96/343888796.db2.gz PSPPDRACIGLDNU-UHFFFAOYSA-N 0 1 177.251 1.341 10 0 ADAEMN c1coc(-c2ncc3c(n2)CNC3)c1 132292562 343895998 /nfs/dbraw/zinc/89/59/98/343895998.db2.gz QWWKKGDPZUFAHY-UHFFFAOYSA-N 0 1 187.202 1.340 10 0 ADAEMN Cc1nc(C(C)(C)C)nc2c1CNC2 132246502 343896006 /nfs/dbraw/zinc/89/60/06/343896006.db2.gz GSBOVEUHRUXEAO-UHFFFAOYSA-N 0 1 191.278 1.686 10 0 ADAEMN CCc1nc2c(c(C3CC3)n1)CNC2 132229982 343896043 /nfs/dbraw/zinc/89/60/43/343896043.db2.gz NEOQSELIYUOLQG-UHFFFAOYSA-N 0 1 189.262 1.520 10 0 ADAEMN CC[C@@H](C)c1ncc2c(n1)CNC2 132300869 343896072 /nfs/dbraw/zinc/89/60/72/343896072.db2.gz YMTFQRWGBVUDLS-SSDOTTSWSA-N 0 1 177.251 1.593 10 0 ADAEMN CSCc1nc(C)c2c(n1)CNC2 132255704 343896082 /nfs/dbraw/zinc/89/60/82/343896082.db2.gz NPDCOFPWLUUGFT-UHFFFAOYSA-N 0 1 195.291 1.251 10 0 ADAEMN CC1(c2ncc3c(n2)CNC3)CC1 132308248 343896098 /nfs/dbraw/zinc/89/60/98/343896098.db2.gz NCJBBQWKTYCNAU-UHFFFAOYSA-N 0 1 175.235 1.131 10 0 ADAEMN c1nc(CC2CC2)nc2c1CNC2 132290371 343896127 /nfs/dbraw/zinc/89/61/27/343896127.db2.gz NZPKYSIUVMTWMW-UHFFFAOYSA-N 0 1 175.235 1.032 10 0 ADAEMN CCCc1ncc2c(n1)CNC2 132283731 343896153 /nfs/dbraw/zinc/89/61/53/343896153.db2.gz IAFBBMUSUPOKGT-UHFFFAOYSA-N 0 1 163.224 1.032 10 0 ADAEMN CCCc1nc(C)c2c(n1)CNC2 132233863 343896214 /nfs/dbraw/zinc/89/62/14/343896214.db2.gz ORSZWVAJASEFGW-UHFFFAOYSA-N 0 1 177.251 1.341 10 0 ADAEMN c1nc(C2CCC2)nc2c1CNC2 132303394 343896229 /nfs/dbraw/zinc/89/62/29/343896229.db2.gz KRQUTIVSUPJSEB-UHFFFAOYSA-N 0 1 175.235 1.347 10 0 ADAEMN CC[C@H](C)c1ncc2c(n1)CNC2 132301043 343896366 /nfs/dbraw/zinc/89/63/66/343896366.db2.gz YMTFQRWGBVUDLS-ZETCQYMHSA-N 0 1 177.251 1.593 10 0 ADAEMN CSc1nc(C)c2c(n1)CNC2 132236827 343896372 /nfs/dbraw/zinc/89/63/72/343896372.db2.gz ZSQGMHXABLOUFX-UHFFFAOYSA-N 0 1 181.264 1.110 10 0 ADAEMN C[C@@H]1C[C@@H]1c1ncc2c(n1)CNC2 132311007 343896381 /nfs/dbraw/zinc/89/63/81/343896381.db2.gz QHWGBZSCYIDTKL-SVRRBLITSA-N 0 1 175.235 1.203 10 0 ADAEMN COC(=O)[C@@H]1CCCCN1CC1CC1 132231550 343896393 /nfs/dbraw/zinc/89/63/93/343896393.db2.gz IODYVZRVIHBBKO-JTQLQIEISA-N 0 1 197.278 1.424 10 0 ADAEMN Cc1cc(N[C@H](C)CCO)ncc1N 132330482 343896594 /nfs/dbraw/zinc/89/65/94/343896594.db2.gz FSPQOLHHQXJWIK-MRVPVSSYSA-N 0 1 195.266 1.155 10 0 ADAEMN CCc1nc(SC)nc2c1CNC2 132323555 343896710 /nfs/dbraw/zinc/89/67/10/343896710.db2.gz PVVNXPCBYPZHJK-UHFFFAOYSA-N 0 1 195.291 1.364 10 0 ADAEMN CC(C)Cc1ncc2c(n1)CNC2 132315696 343896793 /nfs/dbraw/zinc/89/67/93/343896793.db2.gz MPAODLHLANFWIS-UHFFFAOYSA-N 0 1 177.251 1.278 10 0 ADAEMN Cc1cc(N)cnc1N[C@H](C)CCO 132333628 343896811 /nfs/dbraw/zinc/89/68/11/343896811.db2.gz BDHZKQXKOVMPMV-MRVPVSSYSA-N 0 1 195.266 1.155 10 0 ADAEMN CCCc1ncnc2c1CNC2 132340834 343896825 /nfs/dbraw/zinc/89/68/25/343896825.db2.gz MEJLRAXIUOOUCE-UHFFFAOYSA-N 0 1 163.224 1.032 10 0 ADAEMN Cc1cc(N[C@@H](C)CCO)ncc1N 132330244 343896833 /nfs/dbraw/zinc/89/68/33/343896833.db2.gz FSPQOLHHQXJWIK-QMMMGPOBSA-N 0 1 195.266 1.155 10 0 ADAEMN Cc1ccnc(N[C@H](C)CCO)c1N 132348626 343896865 /nfs/dbraw/zinc/89/68/65/343896865.db2.gz CGDJRGCTLPOJRT-MRVPVSSYSA-N 0 1 195.266 1.155 10 0 ADAEMN Cc1ccnc(N[C@@H](C)CCO)c1N 132348412 343896883 /nfs/dbraw/zinc/89/68/83/343896883.db2.gz CGDJRGCTLPOJRT-QMMMGPOBSA-N 0 1 195.266 1.155 10 0 ADAEMN CCc1nc(CC)c2c(n1)CNC2 132333746 343896908 /nfs/dbraw/zinc/89/69/08/343896908.db2.gz AMRQVZCTFPSRGF-UHFFFAOYSA-N 0 1 177.251 1.205 10 0 ADAEMN C[C@H]1C[C@@H]1c1ncc2c(n1)CNC2 132311195 343896914 /nfs/dbraw/zinc/89/69/14/343896914.db2.gz QHWGBZSCYIDTKL-XPUUQOCRSA-N 0 1 175.235 1.203 10 0 ADAEMN C[C@H]1C[C@H]1c1ncc2c(n1)CNC2 132311553 343896918 /nfs/dbraw/zinc/89/69/18/343896918.db2.gz QHWGBZSCYIDTKL-POYBYMJQSA-N 0 1 175.235 1.203 10 0 ADAEMN Cc1cnc(N[C@@H](C)CCO)c(N)c1 132335586 343896954 /nfs/dbraw/zinc/89/69/54/343896954.db2.gz WCLMLGFVWRMSBX-QMMMGPOBSA-N 0 1 195.266 1.155 10 0 ADAEMN Cc1cc(N)cnc1N[C@@H](C)CCO 132333432 343896973 /nfs/dbraw/zinc/89/69/73/343896973.db2.gz BDHZKQXKOVMPMV-QMMMGPOBSA-N 0 1 195.266 1.155 10 0 ADAEMN C[C@@H]1C[C@H]1c1ncc2c(n1)CNC2 132311374 343896995 /nfs/dbraw/zinc/89/69/95/343896995.db2.gz QHWGBZSCYIDTKL-HTRCEHHLSA-N 0 1 175.235 1.203 10 0 ADAEMN Cc1cnc(N[C@H](C)CCO)c(N)c1 132335772 343897018 /nfs/dbraw/zinc/89/70/18/343897018.db2.gz 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/nfs/dbraw/zinc/89/96/03/343899603.db2.gz HLLDHDAUEIRKOK-SECBINFHSA-N 0 1 179.219 1.387 10 0 ADAEMN CN(C)[C@H]1COc2cc(O)ccc21 132505041 343899709 /nfs/dbraw/zinc/89/97/09/343899709.db2.gz HLLDHDAUEIRKOK-VIFPVBQESA-N 0 1 179.219 1.387 10 0 ADAEMN c1cc(-c2nnc(C3CC3)[nH]2)cnn1 132513274 343899759 /nfs/dbraw/zinc/89/97/59/343899759.db2.gz DSVQOTQMXCESBJ-UHFFFAOYSA-N 0 1 187.206 1.139 10 0 ADAEMN Cc1cc(-c2nnc(C)[nH]2)c(C)nn1 132511342 343899807 /nfs/dbraw/zinc/89/98/07/343899807.db2.gz AQPCNHBTLYHBEK-UHFFFAOYSA-N 0 1 189.222 1.187 10 0 ADAEMN CCN(C)[C@H]1COc2cc(O)ccc21 132547091 343900062 /nfs/dbraw/zinc/90/00/62/343900062.db2.gz RSPHNEBNBPUPFZ-JTQLQIEISA-N 0 1 193.246 1.777 10 0 ADAEMN CCN(C)[C@@H]1COc2cc(O)ccc21 132546893 343900279 /nfs/dbraw/zinc/90/02/79/343900279.db2.gz RSPHNEBNBPUPFZ-SNVBAGLBSA-N 0 1 193.246 1.777 10 0 ADAEMN CCC1=NN(C)C(CC)C1=S 132655720 343901898 /nfs/dbraw/zinc/90/18/98/343901898.db2.gz JLFQAOPBLDQCLN-UHFFFAOYSA-N 0 1 170.281 1.834 10 0 ADAEMN 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/nfs/dbraw/zinc/26/34/60/344263460.db2.gz ZTRIWWJPLCXGOI-SSDOTTSWSA-N 0 1 197.307 1.999 10 0 ADAEMN CCNCc1csc(NC)n1 165420901 344263536 /nfs/dbraw/zinc/26/35/36/344263536.db2.gz PMPVESBTFHMCHC-UHFFFAOYSA-N 0 1 171.269 1.294 10 0 ADAEMN CNc1nc(C(C)(C)NC)cs1 165422945 344263567 /nfs/dbraw/zinc/26/35/67/344263567.db2.gz AEWXUZARSSRCOW-UHFFFAOYSA-N 0 1 185.296 1.639 10 0 ADAEMN CNc1nc([C@@H](C)NC)cs1 165421167 344263591 /nfs/dbraw/zinc/26/35/91/344263591.db2.gz FRWHCKUZITXPFG-RXMQYKEDSA-N 0 1 171.269 1.465 10 0 ADAEMN CO[C@@H]1CN[C@@H](c2cscn2)C1 165430357 344263746 /nfs/dbraw/zinc/26/37/46/344263746.db2.gz ZYAPENGBPXWUAQ-NKWVEPMBSA-N 0 1 184.264 1.193 10 0 ADAEMN CO[C@H]1CN[C@H](c2cscn2)C1 165430477 344263760 /nfs/dbraw/zinc/26/37/60/344263760.db2.gz ZYAPENGBPXWUAQ-RQJHMYQMSA-N 0 1 184.264 1.193 10 0 ADAEMN CO[C@@H]1CN[C@H](c2cscn2)C1 165430590 344263836 /nfs/dbraw/zinc/26/38/36/344263836.db2.gz ZYAPENGBPXWUAQ-BQBZGAKWSA-N 0 1 184.264 1.193 10 0 ADAEMN CO[C@H]1CN[C@@H](c2cscn2)C1 165430230 344263957 /nfs/dbraw/zinc/26/39/57/344263957.db2.gz ZYAPENGBPXWUAQ-RNFRBKRXSA-N 0 1 184.264 1.193 10 0 ADAEMN CCNC(C)(C)c1cscn1 165429564 344263962 /nfs/dbraw/zinc/26/39/62/344263962.db2.gz HWTPMGJBNIKPFQ-UHFFFAOYSA-N 0 1 170.281 1.988 10 0 ADAEMN CC(C)Nc1nc[nH]c(=O)c1Cl 165698350 344267828 /nfs/dbraw/zinc/26/78/28/344267828.db2.gz DPVQPODRUZJYSX-UHFFFAOYSA-N 0 1 187.630 1.244 10 0 ADAEMN O=c1[nH]cnc(NCC2CC2)c1Cl 165706768 344267830 /nfs/dbraw/zinc/26/78/30/344267830.db2.gz HSOKBRXYVOUVKV-UHFFFAOYSA-N 0 1 199.641 1.245 10 0 ADAEMN CCCNc1nc[nH]c(=O)c1Cl 165697922 344268011 /nfs/dbraw/zinc/26/80/11/344268011.db2.gz YCRBXHFKXVUSII-UHFFFAOYSA-N 0 1 187.630 1.245 10 0 ADAEMN CCNc1cccc2[nH]nnc12 165736720 344268243 /nfs/dbraw/zinc/26/82/43/344268243.db2.gz QAQDNWXCMMPXGH-UHFFFAOYSA-N 0 1 162.196 1.390 10 0 ADAEMN CCNc1cc(OC2COC2)ccn1 165793599 344269760 /nfs/dbraw/zinc/26/97/60/344269760.db2.gz MZGYGYPXULMSCT-UHFFFAOYSA-N 0 1 194.234 1.291 10 0 ADAEMN C[C@@H]1C[C@@H]1Nc1nc[nH]c(=O)c1Cl 165802177 344270123 /nfs/dbraw/zinc/27/01/23/344270123.db2.gz FMUIXWNBSRIHRN-UHNVWZDZSA-N 0 1 199.641 1.244 10 0 ADAEMN C[C@@H]1C[C@H]1Nc1nc[nH]c(=O)c1Cl 165802404 344270165 /nfs/dbraw/zinc/27/01/65/344270165.db2.gz FMUIXWNBSRIHRN-RFZPGFLSSA-N 0 1 199.641 1.244 10 0 ADAEMN C[C@H]1C[C@@H]1Nc1nc[nH]c(=O)c1Cl 165802272 344270269 /nfs/dbraw/zinc/27/02/69/344270269.db2.gz FMUIXWNBSRIHRN-WHFBIAKZSA-N 0 1 199.641 1.244 10 0 ADAEMN C[C@H]1C[C@H]1Nc1nc[nH]c(=O)c1Cl 165802530 344270379 /nfs/dbraw/zinc/27/03/79/344270379.db2.gz FMUIXWNBSRIHRN-CRCLSJGQSA-N 0 1 199.641 1.244 10 0 ADAEMN OCc1nc([C@@H]2CCCCN2)cs1 165849778 344271104 /nfs/dbraw/zinc/27/11/04/344271104.db2.gz WZTNTGSGEGWMSX-ZETCQYMHSA-N 0 1 198.291 1.450 10 0 ADAEMN OCc1nc([C@H]2CCCCN2)cs1 165849909 344271611 /nfs/dbraw/zinc/27/16/11/344271611.db2.gz WZTNTGSGEGWMSX-SSDOTTSWSA-N 0 1 198.291 1.450 10 0 ADAEMN Cn1ccnc1CN[C@H]1C=CCCC1 165896483 344272076 /nfs/dbraw/zinc/27/20/76/344272076.db2.gz MTNNRAIHGAYKKK-JTQLQIEISA-N 0 1 191.278 1.618 10 0 ADAEMN Cn1ccnc1CN[C@@H]1C=CCCC1 165896576 344272344 /nfs/dbraw/zinc/27/23/44/344272344.db2.gz MTNNRAIHGAYKKK-SNVBAGLBSA-N 0 1 191.278 1.618 10 0 ADAEMN CC1CCN(c2nc(CN)co2)CC1 166096258 344274121 /nfs/dbraw/zinc/27/41/21/344274121.db2.gz KKRQKQOQIJAUFG-UHFFFAOYSA-N 0 1 195.266 1.370 10 0 ADAEMN C[C@H]1CCCN1c1nc(CN)co1 166094684 344274177 /nfs/dbraw/zinc/27/41/77/344274177.db2.gz BYSBVVZCVUYJNM-ZETCQYMHSA-N 0 1 181.239 1.122 10 0 ADAEMN C[C@@H]1CCCN(c2nc(CN)co2)C1 166100836 344274726 /nfs/dbraw/zinc/27/47/26/344274726.db2.gz HGGIJXHGNOPMNQ-MRVPVSSYSA-N 0 1 195.266 1.370 10 0 ADAEMN C[C@@H]1CCCCN1c1nc(CN)co1 166099161 344274704 /nfs/dbraw/zinc/27/47/04/344274704.db2.gz GGEJAICVEYJGHN-MRVPVSSYSA-N 0 1 195.266 1.512 10 0 ADAEMN C[C@H]1CCCN(c2nc(CN)co2)C1 166100971 344274807 /nfs/dbraw/zinc/27/48/07/344274807.db2.gz HGGIJXHGNOPMNQ-QMMMGPOBSA-N 0 1 195.266 1.370 10 0 ADAEMN NCc1coc(N2CCCCC2)n1 166107321 344274815 /nfs/dbraw/zinc/27/48/15/344274815.db2.gz WWRDLJXRPOTJFY-UHFFFAOYSA-N 0 1 181.239 1.124 10 0 ADAEMN CN(c1nc(CN)co1)C1CCCC1 166113436 344274837 /nfs/dbraw/zinc/27/48/37/344274837.db2.gz JPSRKDDFHHZQJQ-UHFFFAOYSA-N 0 1 195.266 1.512 10 0 ADAEMN C[C@H]1CCCCN1c1nc(CN)co1 166099277 344274860 /nfs/dbraw/zinc/27/48/60/344274860.db2.gz GGEJAICVEYJGHN-QMMMGPOBSA-N 0 1 195.266 1.512 10 0 ADAEMN CC1(C)CCCN1c1nc(CN)co1 166156787 344275339 /nfs/dbraw/zinc/27/53/39/344275339.db2.gz NQLWXOZMDZSSSM-UHFFFAOYSA-N 0 1 195.266 1.512 10 0 ADAEMN C[C@@H]1CN(c2nc(CN)co2)C[C@H]1C 166170156 344275798 /nfs/dbraw/zinc/27/57/98/344275798.db2.gz ZQLMPGLUCSDELZ-HTQZYQBOSA-N 0 1 195.266 1.226 10 0 ADAEMN CC(C)[NH2+]Cc1ncccc1[O-] 166191714 344275842 /nfs/dbraw/zinc/27/58/42/344275842.db2.gz JVOSOVSDFCWJTD-UHFFFAOYSA-N 0 1 166.224 1.285 10 0 ADAEMN C[C@H]1CN(c2nc(CN)co2)C[C@@H]1C 166170037 344275923 /nfs/dbraw/zinc/27/59/23/344275923.db2.gz ZQLMPGLUCSDELZ-YUMQZZPRSA-N 0 1 195.266 1.226 10 0 ADAEMN NCc1coc(OC2CCC2)n1 166199930 344276252 /nfs/dbraw/zinc/27/62/52/344276252.db2.gz DEECVPNOIUCGKG-UHFFFAOYSA-N 0 1 168.196 1.065 10 0 ADAEMN NCc1coc(Oc2cccnc2)n1 166227896 344276890 /nfs/dbraw/zinc/27/68/90/344276890.db2.gz VWHAXHDNIOLDIN-UHFFFAOYSA-N 0 1 191.190 1.321 10 0 ADAEMN CC(C)(C)NCc1coc(N)n1 166268033 344277472 /nfs/dbraw/zinc/27/74/72/344277472.db2.gz WIJJQAGUAKRFRB-UHFFFAOYSA-N 0 1 169.228 1.145 10 0 ADAEMN CC(C)NCc1nc(N)ccc1Cl 166259663 344277552 /nfs/dbraw/zinc/27/75/52/344277552.db2.gz WKXUYDDOXOACGG-UHFFFAOYSA-N 0 1 199.685 1.815 10 0 ADAEMN CNCc1nc(N)ccc1Cl 166268153 344277569 /nfs/dbraw/zinc/27/75/69/344277569.db2.gz GNMLDSQFWZGMSV-UHFFFAOYSA-N 0 1 171.631 1.037 10 0 ADAEMN CCNc1nc(C)cc(C)c1CO 166276368 344277775 /nfs/dbraw/zinc/27/77/75/344277775.db2.gz IHUHVBDGCGEBRS-UHFFFAOYSA-N 0 1 180.251 1.623 10 0 ADAEMN CCNCc1nc(NC)ccc1Cl 166304085 344278782 /nfs/dbraw/zinc/27/87/82/344278782.db2.gz ZTQFGVADRXOPID-UHFFFAOYSA-N 0 1 199.685 1.886 10 0 ADAEMN CNc1nc(CNC(C)C)co1 166301851 344278978 /nfs/dbraw/zinc/27/89/78/344278978.db2.gz WTWUUUYDZYHNKD-UHFFFAOYSA-N 0 1 169.228 1.214 10 0 ADAEMN CCNc1cnc(C(C)C)nc1CN 166308331 344278982 /nfs/dbraw/zinc/27/89/82/344278982.db2.gz JIVNREHXZQHXFT-UHFFFAOYSA-N 0 1 194.282 1.491 10 0 ADAEMN CNCc1coc(NC(C)C)n1 166346074 344279824 /nfs/dbraw/zinc/27/98/24/344279824.db2.gz CMFSTJDYXUPYKR-UHFFFAOYSA-N 0 1 169.228 1.214 10 0 ADAEMN CNCc1coc(NC(C)(C)C)n1 166367423 344280388 /nfs/dbraw/zinc/28/03/88/344280388.db2.gz DPQXTIKVUQMLKS-UHFFFAOYSA-N 0 1 183.255 1.604 10 0 ADAEMN CC(C)(C)[C@H]1CC[N@H+](/C=C/C(=O)[O-])C1 166400680 344280630 /nfs/dbraw/zinc/28/06/30/344280630.db2.gz VMCQSJQBYPLFBB-IWGCBNPKSA-N 0 1 197.278 1.953 10 0 ADAEMN CC(C)(C)[C@@H]1CC[N@H+](/C=C/C(=O)[O-])C1 166400560 344280655 /nfs/dbraw/zinc/28/06/55/344280655.db2.gz VMCQSJQBYPLFBB-VPIOIWJLSA-N 0 1 197.278 1.953 10 0 ADAEMN CC(C)CNc1nc(CN)co1 166375514 344280721 /nfs/dbraw/zinc/28/07/21/344280721.db2.gz DSLJMVXFNONCFX-UHFFFAOYSA-N 0 1 169.228 1.201 10 0 ADAEMN CC(=O)[C@H](C)[N@H+]1CC[C@@H](C(C)C)C1 166450887 344281967 /nfs/dbraw/zinc/28/19/67/344281967.db2.gz CLPGTWKBLSPNQL-GXSJLCMTSA-N 0 1 183.295 1.942 10 0 ADAEMN Cc1csc(-c2nc[nH]n2)c1N 166447265 344281979 /nfs/dbraw/zinc/28/19/79/344281979.db2.gz RFYIXCGVEGAGNG-UHFFFAOYSA-N 0 1 180.236 1.424 10 0 ADAEMN CC(=O)[C@H](C)[N@H+]1CC[C@H](C(C)C)C1 166450988 344281985 /nfs/dbraw/zinc/28/19/85/344281985.db2.gz CLPGTWKBLSPNQL-ONGXEEELSA-N 0 1 183.295 1.942 10 0 ADAEMN Cc1nnc(-c2scc(C)c2N)[nH]1 166445855 344282041 /nfs/dbraw/zinc/28/20/41/344282041.db2.gz LRPDUWRTQUYGGV-UHFFFAOYSA-N 0 1 194.263 1.732 10 0 ADAEMN O=c1[nH]cnc(N2CCCC2)c1Cl 166542690 344284503 /nfs/dbraw/zinc/28/45/03/344284503.db2.gz XOOCORPAAQFDHX-UHFFFAOYSA-N 0 1 199.641 1.024 10 0 ADAEMN O=c1[nH][nH]c2c(F)ccc(Cl)c12 166584815 344284868 /nfs/dbraw/zinc/28/48/68/344284868.db2.gz VIZAKNSHXNPJBI-UHFFFAOYSA-N 0 1 186.573 1.649 10 0 ADAEMN CC[C@@H]1CCN(c2nc(CN)co2)C1 166682279 344286916 /nfs/dbraw/zinc/28/69/16/344286916.db2.gz VXJCQLXXPOTGQA-MRVPVSSYSA-N 0 1 195.266 1.370 10 0 ADAEMN CC[C@H]1CCN(c2nc(CN)co2)C1 166682394 344287309 /nfs/dbraw/zinc/28/73/09/344287309.db2.gz VXJCQLXXPOTGQA-QMMMGPOBSA-N 0 1 195.266 1.370 10 0 ADAEMN COC(=O)CN1C[C@H](C)C[C@@H](C)[C@@H]1C 166772944 344288795 /nfs/dbraw/zinc/28/87/95/344288795.db2.gz XVCYEFJJZVJALV-BBBLOLIVSA-N 0 1 199.294 1.526 10 0 ADAEMN C[C@H]1C[C@@H](C)C[N@@H+](/C=C/C(=O)[O-])[C@H]1C 166766968 344288856 /nfs/dbraw/zinc/28/88/56/344288856.db2.gz BMSBHPCHJKPPRY-RQYQQKASSA-N 0 1 197.278 1.951 10 0 ADAEMN COC(=O)CN1C[C@H](C)C[C@H](C)[C@@H]1C 166772709 344288938 /nfs/dbraw/zinc/28/89/38/344288938.db2.gz XVCYEFJJZVJALV-UTLUCORTSA-N 0 1 199.294 1.526 10 0 ADAEMN CCC[C@@H]1CCN(c2nc(N)n[nH]2)C1 166822630 344289574 /nfs/dbraw/zinc/28/95/74/344289574.db2.gz ZAJFTEMQSTUJOX-SSDOTTSWSA-N 0 1 195.270 1.013 10 0 ADAEMN CCC[C@H]1CCN(c2nc(N)n[nH]2)C1 166822739 344289775 /nfs/dbraw/zinc/28/97/75/344289775.db2.gz ZAJFTEMQSTUJOX-ZETCQYMHSA-N 0 1 195.270 1.013 10 0 ADAEMN C[C@H]1C[C@H]1CN1CCC(=O)CC1 167057433 344296219 /nfs/dbraw/zinc/29/62/19/344296219.db2.gz CDWHARQXBGSSKQ-IUCAKERBSA-N 0 1 167.252 1.307 10 0 ADAEMN C[C@H]1C[C@H]1CN1CCC(=O)[C@H](C)C1 167058313 344296292 /nfs/dbraw/zinc/29/62/92/344296292.db2.gz CKTIGNZWZCGWAM-AEJSXWLSSA-N 0 1 181.279 1.553 10 0 ADAEMN C[C@@H]1CN(C[C@H]2C[C@H]2C)CCC1=O 167057966 344296373 /nfs/dbraw/zinc/29/63/73/344296373.db2.gz CKTIGNZWZCGWAM-OPRDCNLKSA-N 0 1 181.279 1.553 10 0 ADAEMN C[C@@H]1C[C@H]1CN1CCC(=O)CC1 167057356 344296472 /nfs/dbraw/zinc/29/64/72/344296472.db2.gz CDWHARQXBGSSKQ-BDAKNGLRSA-N 0 1 167.252 1.307 10 0 ADAEMN C[C@H]1C[C@@H]1CN1CCC(=O)CC1 167057259 344296494 /nfs/dbraw/zinc/29/64/94/344296494.db2.gz CDWHARQXBGSSKQ-DTWKUNHWSA-N 0 1 167.252 1.307 10 0 ADAEMN C[C@H]1C[C@@H]1CN1CCC(=O)[C@H](C)C1 167058082 344296525 /nfs/dbraw/zinc/29/65/25/344296525.db2.gz CKTIGNZWZCGWAM-IVZWLZJFSA-N 0 1 181.279 1.553 10 0 ADAEMN C[C@@H]1CN(C[C@@H]2C[C@H]2C)CCC1=O 167058195 344296539 /nfs/dbraw/zinc/29/65/39/344296539.db2.gz CKTIGNZWZCGWAM-BBBLOLIVSA-N 0 1 181.279 1.553 10 0 ADAEMN C[C@@H]1C[C@@H]1CN1CCC(=O)CC1 167057183 344296569 /nfs/dbraw/zinc/29/65/69/344296569.db2.gz CDWHARQXBGSSKQ-RKDXNWHRSA-N 0 1 167.252 1.307 10 0 ADAEMN C[C@H]1CC(=O)CC[N@@H+]1C[C@H]1C[C@H]1C 167067503 344296798 /nfs/dbraw/zinc/29/67/98/344296798.db2.gz SJISJHRGAIPVAL-KXUCPTDWSA-N 0 1 181.279 1.696 10 0 ADAEMN C[C@H]1CC(=O)CC[N@@H+]1C[C@@H]1C[C@H]1C 167067670 344296862 /nfs/dbraw/zinc/29/68/62/344296862.db2.gz SJISJHRGAIPVAL-UTLUCORTSA-N 0 1 181.279 1.696 10 0 ADAEMN CCCc1cc([C@H](C)N)on1 167159271 344298811 /nfs/dbraw/zinc/29/88/11/344298811.db2.gz WIRLLYLSPHISGR-LURJTMIESA-N 0 1 154.213 1.647 10 0 ADAEMN CCCc1cc([C@@H](C)N)on1 167159172 344298890 /nfs/dbraw/zinc/29/88/90/344298890.db2.gz WIRLLYLSPHISGR-ZCFIWIBFSA-N 0 1 154.213 1.647 10 0 ADAEMN C[C@@H](N)c1cc(-c2cccnc2)no1 167169697 344299095 /nfs/dbraw/zinc/29/90/95/344299095.db2.gz BMRXJCMJLNLCLK-SSDOTTSWSA-N 0 1 189.218 1.756 10 0 ADAEMN CN(C)Cc1ccc(Cl)nn1 167389833 344303997 /nfs/dbraw/zinc/30/39/97/344303997.db2.gz JZRCDICSJSFTAV-UHFFFAOYSA-N 0 1 171.631 1.192 10 0 ADAEMN CCN(C)Cc1ccc(Cl)nn1 167391026 344304465 /nfs/dbraw/zinc/30/44/65/344304465.db2.gz PATOTFBMYAGEOG-UHFFFAOYSA-N 0 1 185.658 1.582 10 0 ADAEMN COc1nccnc1[C@H](N)C(C)C 167504873 344306658 /nfs/dbraw/zinc/30/66/58/344306658.db2.gz BLIIDPGMFWVOQQ-SSDOTTSWSA-N 0 1 181.239 1.141 10 0 ADAEMN COc1nccnc1[C@@H](N)C1CCC1 167518019 344307228 /nfs/dbraw/zinc/30/72/28/344307228.db2.gz TVXQLVOVNFUFEE-QMMMGPOBSA-N 0 1 193.250 1.285 10 0 ADAEMN COc1nccnc1[C@H](N)C1CCC1 167517910 344307284 /nfs/dbraw/zinc/30/72/84/344307284.db2.gz TVXQLVOVNFUFEE-MRVPVSSYSA-N 0 1 193.250 1.285 10 0 ADAEMN CC(C)[N@H+]1CC[C@@H](C)C[C@H]1C(=O)[O-] 167588561 344308569 /nfs/dbraw/zinc/30/85/69/344308569.db2.gz OGXPMZGZSMOQAH-BDAKNGLRSA-N 0 1 185.267 1.580 10 0 ADAEMN CC[C@H](C)[N@H+]1CC[C@H](C)C[C@@H]1C(=O)[O-] 167591107 344308721 /nfs/dbraw/zinc/30/87/21/344308721.db2.gz 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344309233 /nfs/dbraw/zinc/30/92/33/344309233.db2.gz XNWXBWIHJRGPEH-POYBYMJQSA-N 0 1 180.255 1.174 10 0 ADAEMN Cc1nnc([C@H]2C[C@H](C)CCN2)[nH]1 167606941 344309339 /nfs/dbraw/zinc/30/93/39/344309339.db2.gz XNWXBWIHJRGPEH-HTRCEHHLSA-N 0 1 180.255 1.174 10 0 ADAEMN Cc1nnc([C@@H]2C[C@@H](C)CCN2)[nH]1 167607004 344309379 /nfs/dbraw/zinc/30/93/79/344309379.db2.gz XNWXBWIHJRGPEH-XPUUQOCRSA-N 0 1 180.255 1.174 10 0 ADAEMN O=C(c1ccoc1)[C@H]1CCCCN1 167707438 344312127 /nfs/dbraw/zinc/31/21/27/344312127.db2.gz VMTQFJHDKJKSSR-SECBINFHSA-N 0 1 179.219 1.604 10 0 ADAEMN O=C(c1ccoc1)[C@@H]1CCCCN1 167707335 344312133 /nfs/dbraw/zinc/31/21/33/344312133.db2.gz VMTQFJHDKJKSSR-VIFPVBQESA-N 0 1 179.219 1.604 10 0 ADAEMN C[C@H]1C[C@@H](C(=O)CN)CC[C@H]1C 167747055 344313261 /nfs/dbraw/zinc/31/32/61/344313261.db2.gz LLHVFWGLHZJHFX-VGMNWLOBSA-N 0 1 169.268 1.587 10 0 ADAEMN C[C@H]1C[C@H](C(=O)CN)CC[C@H]1C 167747279 344313616 /nfs/dbraw/zinc/31/36/16/344313616.db2.gz LLHVFWGLHZJHFX-HRDYMLBCSA-N 0 1 169.268 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DQNCWWQPKYHSGN-UHFFFAOYSA-N 0 1 175.191 1.440 10 0 ADAEMN Cc1cc(C)c(C(=O)[C@H](C)N)c(F)c1 214807666 344383122 /nfs/dbraw/zinc/38/31/22/344383122.db2.gz VIEYQHXPCQBALM-QMMMGPOBSA-N 0 1 195.237 1.972 10 0 ADAEMN Cc1cc(C)c(C(=O)[C@@H](C)N)c(F)c1 214807620 344383078 /nfs/dbraw/zinc/38/30/78/344383078.db2.gz VIEYQHXPCQBALM-MRVPVSSYSA-N 0 1 195.237 1.972 10 0 ADAEMN COC(=O)[C@@H]1CCCCCN1C 214984233 344384936 /nfs/dbraw/zinc/38/49/36/344384936.db2.gz WRVLCPWYCRLUHC-QMMMGPOBSA-N 0 1 171.240 1.034 10 0 ADAEMN CCCNc1cncc(=NN(C)C)[nH]1 215324915 344388321 /nfs/dbraw/zinc/38/83/21/344388321.db2.gz BHCBRHNHUUGPNC-UHFFFAOYSA-N 0 1 195.270 1.187 10 0 ADAEMN Oc1cccc(CN2CCC2)c1 215303147 344388376 /nfs/dbraw/zinc/38/83/76/344388376.db2.gz SRALFFXHHKNNKE-UHFFFAOYSA-N 0 1 163.220 1.598 10 0 ADAEMN COC(=O)[C@@H](N)C1CCC(C)(C)CC1 215475358 344389166 /nfs/dbraw/zinc/38/91/66/344389166.db2.gz GQEXIPZXCQUKSA-VIFPVBQESA-N 0 1 199.294 1.703 10 0 ADAEMN COC(=O)[C@H](N)C1CCC(C)(C)CC1 215475401 344389283 /nfs/dbraw/zinc/38/92/83/344389283.db2.gz GQEXIPZXCQUKSA-SECBINFHSA-N 0 1 199.294 1.703 10 0 ADAEMN C[N@H+]1CCCC[C@@H]1c1c[nH]nc1N 215560078 344390058 /nfs/dbraw/zinc/39/00/58/344390058.db2.gz GJVJBMJVSFZUDQ-MRVPVSSYSA-N 0 1 180.255 1.149 10 0 ADAEMN CN1CCCC[C@@H]1c1c[nH]nc1N 215560078 344390061 /nfs/dbraw/zinc/39/00/61/344390061.db2.gz GJVJBMJVSFZUDQ-MRVPVSSYSA-N 0 1 180.255 1.149 10 0 ADAEMN C[N@H+]1CCCC[C@H]1c1c[nH]nc1N 215560123 344390277 /nfs/dbraw/zinc/39/02/77/344390277.db2.gz GJVJBMJVSFZUDQ-QMMMGPOBSA-N 0 1 180.255 1.149 10 0 ADAEMN CN1CCCC[C@H]1c1c[nH]nc1N 215560123 344390279 /nfs/dbraw/zinc/39/02/79/344390279.db2.gz GJVJBMJVSFZUDQ-QMMMGPOBSA-N 0 1 180.255 1.149 10 0 ADAEMN CC[C@]1(C(=O)[O-])CCC[N@H+]1C1CCC1 215727325 344391438 /nfs/dbraw/zinc/39/14/38/344391438.db2.gz XUPWZFHCSNZCAL-LLVKDONJSA-N 0 1 197.278 1.868 10 0 ADAEMN CC(=O)c1cc(F)cc2[nH]cnc12 215842585 344393734 /nfs/dbraw/zinc/39/37/34/344393734.db2.gz ZIBYLZICUSHGPM-UHFFFAOYSA-N 0 1 178.166 1.905 10 0 ADAEMN C[N@@H+](C1CC1)[C@@H]1CCCC[C@H]1C(=O)[O-] 216067570 344394448 /nfs/dbraw/zinc/39/44/48/344394448.db2.gz FUSCOEGAORRETH-NXEZZACHSA-N 0 1 197.278 1.724 10 0 ADAEMN O=C([O-])[C@H]1CCCCC[N@H+]1C1CC1 216082421 344394524 /nfs/dbraw/zinc/39/45/24/344394524.db2.gz ILMUSKDBMJAGSI-SECBINFHSA-N 0 1 183.251 1.478 10 0 ADAEMN O=C([O-])[C@@H]1CCCCC[N@H+]1C1CC1 216082467 344394590 /nfs/dbraw/zinc/39/45/90/344394590.db2.gz ILMUSKDBMJAGSI-VIFPVBQESA-N 0 1 183.251 1.478 10 0 ADAEMN C[N@@H+](C1CC1)[C@H]1CCCC[C@H]1C(=O)[O-] 216067524 344394782 /nfs/dbraw/zinc/39/47/82/344394782.db2.gz FUSCOEGAORRETH-ZJUUUORDSA-N 0 1 197.278 1.724 10 0 ADAEMN CC(C)(C)[N@H+]1CCC[C@H](C(=O)[O-])CC1 216199080 344395623 /nfs/dbraw/zinc/39/56/23/344395623.db2.gz OGOFCPGNWMRWKG-VIFPVBQESA-N 0 1 199.294 1.972 10 0 ADAEMN CC(C)(C)[N@H+]1CCC[C@@H](C(=O)[O-])CC1 216199132 344395721 /nfs/dbraw/zinc/39/57/21/344395721.db2.gz OGOFCPGNWMRWKG-SECBINFHSA-N 0 1 199.294 1.972 10 0 ADAEMN CC(=O)[C@@H](C)[N@H+]1CCC[C@@H]1C 216254849 344396193 /nfs/dbraw/zinc/39/61/93/344396193.db2.gz VHINAUNZJAORDI-JGVFFNPUSA-N 0 1 155.241 1.448 10 0 ADAEMN C[C@@H](C[N@H+]1CCC[C@@H]1C)C(=O)[O-] 216253515 344396459 /nfs/dbraw/zinc/39/64/59/344396459.db2.gz QAHLMMMEPPTBPM-YUMQZZPRSA-N 0 1 171.240 1.191 10 0 ADAEMN C=CCCCOC(=O)[C@@H]1CCCN1 217035738 344400420 /nfs/dbraw/zinc/40/04/20/344400420.db2.gz QUTFXOTUHLVHSG-VIFPVBQESA-N 0 1 183.251 1.248 10 0 ADAEMN CC(=O)[C@@H](C)N1CCCO[C@@H](C)C1 217587615 344403436 /nfs/dbraw/zinc/40/34/36/344403436.db2.gz NJXNBORUQDXOPI-DTWKUNHWSA-N 0 1 185.267 1.075 10 0 ADAEMN C[C@@H]1CCC[N@H+]1[C@@](C)(C(=O)[O-])C1CC1 217822554 344406652 /nfs/dbraw/zinc/40/66/52/344406652.db2.gz KMEMYFBHFVDQJT-LDYMZIIASA-N 0 1 197.278 1.724 10 0 ADAEMN C[C@H]1CCC[N@H+]1[C@@](C)(C(=O)[O-])C1CC1 217822632 344406684 /nfs/dbraw/zinc/40/66/84/344406684.db2.gz KMEMYFBHFVDQJT-GZMMTYOYSA-N 0 1 197.278 1.724 10 0 ADAEMN O=C1NCCc2ccc(O)c(Cl)c21 217953619 344408509 /nfs/dbraw/zinc/40/85/09/344408509.db2.gz VEMUEDMQETUACF-UHFFFAOYSA-N 0 1 197.621 1.332 10 0 ADAEMN CC(=O)C[C@@H](C)N1CCO[C@@H](C)C1 218137578 344409678 /nfs/dbraw/zinc/40/96/78/344409678.db2.gz XSBDRKYXJBXFKQ-SCZZXKLOSA-N 0 1 185.267 1.075 10 0 ADAEMN CC(=O)C[C@@H](C)N1CCOC[C@@H]1C 218137771 344409882 /nfs/dbraw/zinc/40/98/82/344409882.db2.gz QQNLLQDJDXVSMO-BDAKNGLRSA-N 0 1 185.267 1.075 10 0 ADAEMN CCC[C@H]1CNC[C@@H](C(F)(F)F)O1 218166452 344410081 /nfs/dbraw/zinc/41/00/81/344410081.db2.gz HEAUBWSVKGATBB-BQBZGAKWSA-N 0 1 197.200 1.706 10 0 ADAEMN CCC[C@@H]1CNC[C@H](C(F)(F)F)O1 218166537 344410096 /nfs/dbraw/zinc/41/00/96/344410096.db2.gz HEAUBWSVKGATBB-RNFRBKRXSA-N 0 1 197.200 1.706 10 0 ADAEMN CCC[C@@H]1CNC[C@@H](C(F)(F)F)O1 218166388 344410345 /nfs/dbraw/zinc/41/03/45/344410345.db2.gz HEAUBWSVKGATBB-RQJHMYQMSA-N 0 1 197.200 1.706 10 0 ADAEMN CCC[C@H]1CNC[C@H](C(F)(F)F)O1 218166614 344410354 /nfs/dbraw/zinc/41/03/54/344410354.db2.gz HEAUBWSVKGATBB-NKWVEPMBSA-N 0 1 197.200 1.706 10 0 ADAEMN [O-]c1cc(Cl)cc(C2=[NH+]CCN2)c1 218266757 344411167 /nfs/dbraw/zinc/41/11/67/344411167.db2.gz BMFOIDJHOJNJPR-UHFFFAOYSA-N 0 1 196.637 1.395 10 0 ADAEMN ClNN=c1cc[nH]cc1 218614896 344414104 /nfs/dbraw/zinc/41/41/04/344414104.db2.gz ZRXOSXKQAQTSRY-UHFFFAOYSA-N 0 1 143.577 1.152 10 0 ADAEMN CCn1c(C=O)cc2cnccc21 218811035 344416895 /nfs/dbraw/zinc/41/68/95/344416895.db2.gz ODUOYMNPZKCBOF-UHFFFAOYSA-N 0 1 174.203 1.869 10 0 ADAEMN CC(C)Cc1cnc(CN)s1 218802246 344416898 /nfs/dbraw/zinc/41/68/98/344416898.db2.gz HGBBYKOORIXJPD-UHFFFAOYSA-N 0 1 170.281 1.800 10 0 ADAEMN Cc1nc(N)n(C)c1-c1ccco1 218937619 344418409 /nfs/dbraw/zinc/41/84/09/344418409.db2.gz GZWMDAMNEADVBM-UHFFFAOYSA-N 0 1 177.207 1.571 10 0 ADAEMN Cc1ccc(-c2cnc(N)n2C)o1 218938964 344418516 /nfs/dbraw/zinc/41/85/16/344418516.db2.gz QVKVWWOYROOOGH-UHFFFAOYSA-N 0 1 177.207 1.571 10 0 ADAEMN c1cc(C2CCOCC2)[nH]n1 219004687 344419060 /nfs/dbraw/zinc/41/90/60/344419060.db2.gz JUOYWQIBQOXWAP-UHFFFAOYSA-N 0 1 152.197 1.304 10 0 ADAEMN NCc1ccc(Cc2cccnc2)o1 219295287 344422026 /nfs/dbraw/zinc/42/20/26/344422026.db2.gz PKMZIWYAAKNGIJ-UHFFFAOYSA-N 0 1 188.230 1.724 10 0 ADAEMN NOCc1nc(C2CCCCC2)n[nH]1 219243103 344422062 /nfs/dbraw/zinc/42/20/62/344422062.db2.gz KXSGQGOZDGGHGV-UHFFFAOYSA-N 0 1 196.254 1.243 10 0 ADAEMN NOCc1n[nH]c(C2CCCCC2)n1 219243103 344422063 /nfs/dbraw/zinc/42/20/63/344422063.db2.gz KXSGQGOZDGGHGV-UHFFFAOYSA-N 0 1 196.254 1.243 10 0 ADAEMN C[C@H](O)c1cccc2cncn12 219461118 344424280 /nfs/dbraw/zinc/42/42/80/344424280.db2.gz QFHQBYHVWODQKP-ZETCQYMHSA-N 0 1 162.192 1.388 10 0 ADAEMN C[N@H+]1CCCC[C@@H](F)C1 219511199 344424563 /nfs/dbraw/zinc/42/45/63/344424563.db2.gz POTBXXRXUWZLJI-SSDOTTSWSA-N 0 1 131.194 1.440 10 0 ADAEMN CC(C)[N@H+]1CC/C(=C/C(=O)[O-])C1 219492003 344424576 /nfs/dbraw/zinc/42/45/76/344424576.db2.gz MQEYKILYRSITBL-YVMONPNESA-N 0 1 169.224 1.112 10 0 ADAEMN C[N@H+]1CCC[C@@H](C(F)F)C1 219511415 344424602 /nfs/dbraw/zinc/42/46/02/344424602.db2.gz ASTHGYNTRJFGEE-ZCFIWIBFSA-N 0 1 149.184 1.593 10 0 ADAEMN CC(C)[C@H](C(=O)[O-])[N@@H+]1C[C@@H](C)[C@@H](C)C1 219694623 344426769 /nfs/dbraw/zinc/42/67/69/344426769.db2.gz XPPHPXYUYXGDQU-KXUCPTDWSA-N 0 1 199.294 1.683 10 0 ADAEMN C[C@@H](C[N@@H+]1C[C@@H](C)[C@@H](C)C1)C(=O)[O-] 219692572 344426952 /nfs/dbraw/zinc/42/69/52/344426952.db2.gz STIMHDXUHWLNBJ-YIZRAAEISA-N 0 1 185.267 1.295 10 0 ADAEMN Cc1cc(N2CC(F)(F)C2)ncc1N 219819465 344428385 /nfs/dbraw/zinc/42/83/85/344428385.db2.gz DMZARTCWDSWDBR-UHFFFAOYSA-N 0 1 199.204 1.428 10 0 ADAEMN COC(=O)[C@H](N)C1C[C@H](C)C[C@@H](C)C1 220212323 344431118 /nfs/dbraw/zinc/43/11/18/344431118.db2.gz XZYRFKKTTSDYBL-NQMVMOMDSA-N 0 1 199.294 1.559 10 0 ADAEMN O/N=C/c1cnn2ccc(Cl)nc12 220529009 344433285 /nfs/dbraw/zinc/43/32/85/344433285.db2.gz NKYSBWPQEGZADY-ONNFQVAWSA-N 0 1 196.597 1.191 10 0 ADAEMN C1=C[C@@H]2[C@@H](C1)C[C@@H]2NCc1ccon1 220719966 344434704 /nfs/dbraw/zinc/43/47/04/344434704.db2.gz FWMDJBKGRWMTAP-GDPRMGEGSA-N 0 1 190.246 1.729 10 0 ADAEMN C1=C[C@H]2[C@@H](NCc3ccon3)C[C@H]2C1 220719901 344434837 /nfs/dbraw/zinc/43/48/37/344434837.db2.gz FWMDJBKGRWMTAP-IEBDPFPHSA-N 0 1 190.246 1.729 10 0 ADAEMN O=C1CSC(NC2CC2)=N1 220781053 344435488 /nfs/dbraw/zinc/43/54/88/344435488.db2.gz QQMPWWDHDZEJAK-UHFFFAOYSA-N 0 1 156.210 1.423 10 0 ADAEMN CC=CCNc1ncnc2[nH]cnc12 220868375 344436296 /nfs/dbraw/zinc/43/62/96/344436296.db2.gz WPFBULDTFZQCOG-NSCUHMNNSA-N 0 1 189.222 1.341 10 0 ADAEMN O=C(c1ccc[nH]1)[C@H]1CCCCN1 221276359 344441017 /nfs/dbraw/zinc/44/10/17/344441017.db2.gz OJKWRQFJPAPWOE-MRVPVSSYSA-N 0 1 178.235 1.340 10 0 ADAEMN c1cn2c(n1)NC[C@@H]1CCCC[C@@H]12 221274674 344441032 /nfs/dbraw/zinc/44/10/32/344441032.db2.gz VHUFPYPRPZKNSO-IUCAKERBSA-N 0 1 177.251 1.291 10 0 ADAEMN c1cn2c(n1)NC[C@H]1CCCC[C@H]12 221274730 344441068 /nfs/dbraw/zinc/44/10/68/344441068.db2.gz VHUFPYPRPZKNSO-RKDXNWHRSA-N 0 1 177.251 1.291 10 0 ADAEMN c1cn2c(n1)NC[C@@H]1CCCC[C@H]12 221274611 344441287 /nfs/dbraw/zinc/44/12/87/344441287.db2.gz VHUFPYPRPZKNSO-DTWKUNHWSA-N 0 1 177.251 1.291 10 0 ADAEMN O=C(c1ccc[nH]1)[C@@H]1CCCCN1 221276301 344441294 /nfs/dbraw/zinc/44/12/94/344441294.db2.gz OJKWRQFJPAPWOE-QMMMGPOBSA-N 0 1 178.235 1.340 10 0 ADAEMN c1cn2c(n1)NC[C@H]1CCCC[C@@H]12 221274790 344441329 /nfs/dbraw/zinc/44/13/29/344441329.db2.gz VHUFPYPRPZKNSO-BDAKNGLRSA-N 0 1 177.251 1.291 10 0 ADAEMN NCc1nccn1[C@H]1CCSC1 221327711 344442148 /nfs/dbraw/zinc/44/21/48/344442148.db2.gz CJQKDHIFIIIVJO-ZETCQYMHSA-N 0 1 183.280 1.020 10 0 ADAEMN NCc1nccn1[C@@H]1CCSC1 221327657 344442227 /nfs/dbraw/zinc/44/22/27/344442227.db2.gz CJQKDHIFIIIVJO-SSDOTTSWSA-N 0 1 183.280 1.020 10 0 ADAEMN CCN1CCn2cc(C)nc2C1 221422214 344442980 /nfs/dbraw/zinc/44/29/80/344442980.db2.gz YIGSWHUALUTMDT-UHFFFAOYSA-N 0 1 165.240 1.027 10 0 ADAEMN Cc1nc2c(o1)CN[C@H](C)C2 221831325 344446404 /nfs/dbraw/zinc/44/64/04/344446404.db2.gz MBCPFEDBEVXEGT-RXMQYKEDSA-N 0 1 152.197 1.017 10 0 ADAEMN Cc1nc2c(o1)CN[C@@H](C)C2 221831372 344446807 /nfs/dbraw/zinc/44/68/07/344446807.db2.gz MBCPFEDBEVXEGT-YFKPBYRVSA-N 0 1 152.197 1.017 10 0 ADAEMN Cc1nc2c(o1)CNCC2(C)C 221876509 344446866 /nfs/dbraw/zinc/44/68/66/344446866.db2.gz BRNWQGSJINCONR-UHFFFAOYSA-N 0 1 166.224 1.364 10 0 ADAEMN C[C@@H]1C(=O)CCN([C@H]2C[C@H]2C)[C@H]1C 221936522 344447176 /nfs/dbraw/zinc/44/71/76/344447176.db2.gz ZUWBEHDZEXJTNH-KATARQTJSA-N 0 1 181.279 1.694 10 0 ADAEMN C[C@H](C(=O)[O-])[C@@H](C)[N@H+]1CCC[C@@H](C)C1 222006356 344447715 /nfs/dbraw/zinc/44/77/15/344447715.db2.gz UKAODQKOCBVBOM-KXUCPTDWSA-N 0 1 199.294 1.828 10 0 ADAEMN C[C@H](C(=O)[O-])[C@H](C)[N@H+]1CCC[C@@H](C)C1 222006418 344447795 /nfs/dbraw/zinc/44/77/95/344447795.db2.gz UKAODQKOCBVBOM-UTLUCORTSA-N 0 1 199.294 1.828 10 0 ADAEMN C[C@@H]1CCC[N@H+]([C@H](C)[C@@H](C)C(=O)[O-])C1 222006298 344447889 /nfs/dbraw/zinc/44/78/89/344447889.db2.gz UKAODQKOCBVBOM-OPRDCNLKSA-N 0 1 199.294 1.828 10 0 ADAEMN Cc1nc(N2CC[C@H](F)C2)ccc1N 221977028 344447921 /nfs/dbraw/zinc/44/79/21/344447921.db2.gz QBNHPZHIUMOODH-QMMMGPOBSA-N 0 1 195.241 1.520 10 0 ADAEMN 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C[C@@H]1OCC[C@@]12NCC[C@@H](C)S2 226411405 344502365 /nfs/dbraw/zinc/50/23/65/344502365.db2.gz JJCFZIKTJTVYQA-VGMNWLOBSA-N 0 1 187.308 1.607 10 0 ADAEMN C[C@@H]1OCC[C@]12NCC[C@@H](C)S2 226411412 344502400 /nfs/dbraw/zinc/50/24/00/344502400.db2.gz JJCFZIKTJTVYQA-HRDYMLBCSA-N 0 1 187.308 1.607 10 0 ADAEMN C[C@@H]1OCC[C@@]12NC[C@@H](C)CS2 226410712 344502488 /nfs/dbraw/zinc/50/24/88/344502488.db2.gz XNMYGFPFVGIYQH-VGMNWLOBSA-N 0 1 187.308 1.464 10 0 ADAEMN C[C@@H]1CCC[C@H](C(=O)C2(N)CC2)C1 226434212 344503038 /nfs/dbraw/zinc/50/30/38/344503038.db2.gz LPXHBDKYMDNBLH-BDAKNGLRSA-N 0 1 181.279 1.873 10 0 ADAEMN NC1(C(=O)CC2CCCC2)CC1 226434888 344503141 /nfs/dbraw/zinc/50/31/41/344503141.db2.gz CUXHIYIWGLLTTD-UHFFFAOYSA-N 0 1 167.252 1.627 10 0 ADAEMN C[C@@H]1CCC[C@@H](C(=O)C2(N)CC2)C1 226434199 344503176 /nfs/dbraw/zinc/50/31/76/344503176.db2.gz LPXHBDKYMDNBLH-RKDXNWHRSA-N 0 1 181.279 1.873 10 0 ADAEMN Cc1ccccc1C(=O)C1(N)CC1 226435378 344503247 /nfs/dbraw/zinc/50/32/47/344503247.db2.gz KMZRJECGTTZPDZ-UHFFFAOYSA-N 0 1 175.231 1.669 10 0 ADAEMN CC1CCC(C(=O)C2(N)CC2)CC1 226435445 344503336 /nfs/dbraw/zinc/50/33/36/344503336.db2.gz NGYQZTUNWDWSJM-UHFFFAOYSA-N 0 1 181.279 1.873 10 0 ADAEMN C[C@H]1CCC[C@@H](C(=O)C2(N)CC2)C1 226434204 344503369 /nfs/dbraw/zinc/50/33/69/344503369.db2.gz LPXHBDKYMDNBLH-DTWKUNHWSA-N 0 1 181.279 1.873 10 0 ADAEMN NC1(C(=O)CC2CCC2)CC1 226433811 344503372 /nfs/dbraw/zinc/50/33/72/344503372.db2.gz HUMBXEYOUAMUPS-UHFFFAOYSA-N 0 1 153.225 1.237 10 0 ADAEMN NC1(C(=O)Cc2ccccc2)CC1 226433288 344503406 /nfs/dbraw/zinc/50/34/06/344503406.db2.gz JWCGDXQKXOHLAW-UHFFFAOYSA-N 0 1 175.231 1.290 10 0 ADAEMN NC1(C(=O)C2CCCC2)CC1 226433280 344503413 /nfs/dbraw/zinc/50/34/13/344503413.db2.gz BAAGENUMETURQP-UHFFFAOYSA-N 0 1 153.225 1.237 10 0 ADAEMN C[C@H]1CCC[C@H](C(=O)C2(N)CC2)C1 226434218 344503431 /nfs/dbraw/zinc/50/34/31/344503431.db2.gz LPXHBDKYMDNBLH-IUCAKERBSA-N 0 1 181.279 1.873 10 0 ADAEMN CC[C@H](N)C(=O)c1ccsc1 226539235 344506098 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CC[C@](C)(N)C(=O)c1ccc(C)nc1 226661273 344509767 /nfs/dbraw/zinc/50/97/67/344509767.db2.gz SCPDVHNLTQOHEM-NSHDSACASA-N 0 1 192.262 1.700 10 0 ADAEMN C[C@@H]1CCO[C@@H]1[C@@H](N)c1ccco1 226709920 344510772 /nfs/dbraw/zinc/51/07/72/344510772.db2.gz GMOBDJOCDGIJQI-JEZHCXPESA-N 0 1 181.235 1.704 10 0 ADAEMN C[C@@H]1CCO[C@H]1[C@@H](N)c1ccco1 226709936 344510818 /nfs/dbraw/zinc/51/08/18/344510818.db2.gz GMOBDJOCDGIJQI-FKTZTGRPSA-N 0 1 181.235 1.704 10 0 ADAEMN C[C@@H](C[N@H+]1CCCCC[C@@H]1C)C(=O)[O-] 226735272 344511206 /nfs/dbraw/zinc/51/12/06/344511206.db2.gz ZRLZJVOTBIFAQC-UWVGGRQHSA-N 0 1 199.294 1.972 10 0 ADAEMN C[C@H]1CCCCC[N@@H+]1[C@H](C)C(=O)[O-] 226735088 344511382 /nfs/dbraw/zinc/51/13/82/344511382.db2.gz IVPWSMUUOBLOHM-DTWKUNHWSA-N 0 1 185.267 1.724 10 0 ADAEMN CC1(C)CCCC[C@@H]1C(=O)CN 226746820 344512275 /nfs/dbraw/zinc/51/22/75/344512275.db2.gz MNSLLCWRBYVTPU-MRVPVSSYSA-N 0 1 169.268 1.731 10 0 ADAEMN Nc1c[nH]c(=NN2CCCCC2)s1 226750506 344512294 /nfs/dbraw/zinc/51/22/94/344512294.db2.gz SVEJANLNZXJZIL-UHFFFAOYSA-N 0 1 198.295 1.538 10 0 ADAEMN CC1(C)CCCC[C@H]1C(=O)CN 226746831 344512296 /nfs/dbraw/zinc/51/22/96/344512296.db2.gz MNSLLCWRBYVTPU-QMMMGPOBSA-N 0 1 169.268 1.731 10 0 ADAEMN C[C@@H](C[N@H+]1CC[C@@H](C)C1)C(=O)[O-] 226759771 344512642 /nfs/dbraw/zinc/51/26/42/344512642.db2.gz WWADFMQUDKRNKW-SFYZADRCSA-N 0 1 171.240 1.049 10 0 ADAEMN CC(C)[C@H](C(=O)[O-])[N@H+]1CC[C@@H](C)C1 226759633 344512667 /nfs/dbraw/zinc/51/26/67/344512667.db2.gz QKODGWHJBHEZPS-RKDXNWHRSA-N 0 1 185.267 1.437 10 0 ADAEMN CC(=O)[C@@H](C)[N@H+]1CC[C@@H](C)C1 226759966 344512850 /nfs/dbraw/zinc/51/28/50/344512850.db2.gz UJTZXWNKVIMEOT-HTQZYQBOSA-N 0 1 155.241 1.306 10 0 ADAEMN NC1(C(=O)c2cccs2)CCC1 226780911 344513483 /nfs/dbraw/zinc/51/34/83/344513483.db2.gz IAWGDHZGQYOASE-UHFFFAOYSA-N 0 1 181.260 1.812 10 0 ADAEMN NC1(C(=O)c2cccnc2)CCC1 226779815 344513510 /nfs/dbraw/zinc/51/35/10/344513510.db2.gz MHRWVNULAOASDO-UHFFFAOYSA-N 0 1 176.219 1.146 10 0 ADAEMN NC1(C(=O)c2ccco2)CCC1 226780743 344513589 /nfs/dbraw/zinc/51/35/89/344513589.db2.gz YHLBFUKLFOAUDH-UHFFFAOYSA-N 0 1 165.192 1.344 10 0 ADAEMN NC1(C(=O)c2ccoc2)CCC1 226781002 344513680 /nfs/dbraw/zinc/51/36/80/344513680.db2.gz NPYYKCYNLHKSFZ-UHFFFAOYSA-N 0 1 165.192 1.344 10 0 ADAEMN NC1(C(=O)c2ccsc2)CCC1 226778786 344513694 /nfs/dbraw/zinc/51/36/94/344513694.db2.gz NGCYEBZFZRXEJI-UHFFFAOYSA-N 0 1 181.260 1.812 10 0 ADAEMN NC1(C(=O)c2ccc(F)cc2)CCC1 226779094 344513706 /nfs/dbraw/zinc/51/37/06/344513706.db2.gz UZMCUHQYGCCRDG-UHFFFAOYSA-N 0 1 193.221 1.890 10 0 ADAEMN C[C@@H]1C[C@H]([C@@H](F)C(=O)[O-])CC[N@H+]1C 226842589 344515324 /nfs/dbraw/zinc/51/53/24/344515324.db2.gz NRBRDTHSBACCIM-BWZBUEFSSA-N 0 1 189.230 1.139 10 0 ADAEMN C[C@@H]1C[C@@H]([C@@H](F)C(=O)[O-])CC[N@H+]1C 226842575 344515438 /nfs/dbraw/zinc/51/54/38/344515438.db2.gz NRBRDTHSBACCIM-GJMOJQLCSA-N 0 1 189.230 1.139 10 0 ADAEMN C[C@H](C(=O)[O-])[C@@H]1CC[N@@H+](C)[C@@H](C)C1 226842553 344515545 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181.235 1.718 10 0 ADAEMN C[C@@H]1NC[C@@H](C)O[C@@H]1c1ccco1 227164178 344523962 /nfs/dbraw/zinc/52/39/62/344523962.db2.gz WOWIKONYFFBDEJ-WEDXCCLWSA-N 0 1 181.235 1.718 10 0 ADAEMN C[C@H]1CC[N@@H+](C2CCC2)[C@@H]1C(=O)[O-] 227160308 344523965 /nfs/dbraw/zinc/52/39/65/344523965.db2.gz WXOHPUSXUOVKTJ-CBAPKCEASA-N 0 1 183.251 1.334 10 0 ADAEMN C[C@@H]1CC[N@@H+](C2CCC2)[C@@H]1C(=O)[O-] 227160301 344524027 /nfs/dbraw/zinc/52/40/27/344524027.db2.gz WXOHPUSXUOVKTJ-APPZFPTMSA-N 0 1 183.251 1.334 10 0 ADAEMN CC(=O)CCN1CCO[C@@H]2CCC[C@H]21 227156202 344524031 /nfs/dbraw/zinc/52/40/31/344524031.db2.gz QEELVGCSKZHCNW-GHMZBOCLSA-N 0 1 197.278 1.219 10 0 ADAEMN CC(=O)CCN1CCO[C@H]2CCC[C@H]21 227156205 344524071 /nfs/dbraw/zinc/52/40/71/344524071.db2.gz QEELVGCSKZHCNW-MNOVXSKESA-N 0 1 197.278 1.219 10 0 ADAEMN C[C@@H]1CN[C@H](C)[C@@H](c2ccco2)O1 227164188 344524150 /nfs/dbraw/zinc/52/41/50/344524150.db2.gz WOWIKONYFFBDEJ-MRTMQBJTSA-N 0 1 181.235 1.718 10 0 ADAEMN C/C(C(=O)[O-])=C1\CC[N@H+]2CCC[C@@H]12 227196322 344524836 /nfs/dbraw/zinc/52/48/36/344524836.db2.gz FONSSRGTIIBHID-FUOZMLNRSA-N 0 1 181.235 1.256 10 0 ADAEMN C[C@H](C(=O)[O-])[C@H]1CC[N@H+]2CCC[C@@H]12 227198768 344524852 /nfs/dbraw/zinc/52/48/52/344524852.db2.gz NOYVDDVZKUMZBG-YIZRAAEISA-N 0 1 183.251 1.191 10 0 ADAEMN C[C@H](C(=O)[O-])[C@@H]1CC[N@H+]2CCC[C@@H]12 227198752 344525194 /nfs/dbraw/zinc/52/51/94/344525194.db2.gz NOYVDDVZKUMZBG-CIUDSAMLSA-N 0 1 183.251 1.191 10 0 ADAEMN C1=C[C@@H]2[C@@H](C1)C[C@H]2NCc1ccon1 227243367 344526047 /nfs/dbraw/zinc/52/60/47/344526047.db2.gz FWMDJBKGRWMTAP-JMJZKYOTSA-N 0 1 190.246 1.729 10 0 ADAEMN C1=C[C@@H]2[C@H](C1)C[C@H]2NCc1ccon1 227243378 344526350 /nfs/dbraw/zinc/52/63/50/344526350.db2.gz FWMDJBKGRWMTAP-FBIMIBRVSA-N 0 1 190.246 1.729 10 0 ADAEMN C[C@H]1C[C@H](C)CCN1c1nc(N)n[nH]1 227322762 344528738 /nfs/dbraw/zinc/52/87/38/344528738.db2.gz GWKMEKINZZQNHA-RQJHMYQMSA-N 0 1 195.270 1.012 10 0 ADAEMN Cc1nn(C)cc1Nc1nncs1 227497910 344532681 /nfs/dbraw/zinc/53/26/81/344532681.db2.gz 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CBQQSUDICXWFTB-SSDOTTSWSA-N 0 1 198.295 1.044 10 0 ADAEMN CCN1CC[C@H](Nc2cnns2)C1 306155802 345047383 /nfs/dbraw/zinc/04/73/83/345047383.db2.gz CBQQSUDICXWFTB-ZETCQYMHSA-N 0 1 198.295 1.044 10 0 ADAEMN CC1(C)CC[N@@H+]1Cc1c[nH]cn1 306159330 345049477 /nfs/dbraw/zinc/04/94/77/345049477.db2.gz LGVNLDQGMFEEKV-UHFFFAOYSA-N 0 1 165.240 1.394 10 0 ADAEMN CC1(C)CC[N@H+]1Cc1c[nH]cn1 306159330 345049479 /nfs/dbraw/zinc/04/94/79/345049479.db2.gz LGVNLDQGMFEEKV-UHFFFAOYSA-N 0 1 165.240 1.394 10 0 ADAEMN CC1(C)CCN1Cc1c[nH]cn1 306159330 345049481 /nfs/dbraw/zinc/04/94/81/345049481.db2.gz LGVNLDQGMFEEKV-UHFFFAOYSA-N 0 1 165.240 1.394 10 0 ADAEMN C[C@@H]1CC[N@H+]([C@@H](C)C(=O)[O-])C[C@@H](C)C1 306160520 345051113 /nfs/dbraw/zinc/05/11/13/345051113.db2.gz FYGCETCZAALFOW-UTLUCORTSA-N 0 1 199.294 1.828 10 0 ADAEMN C[C@@H]1CC[N@H+]([C@H](C)C(=O)[O-])C[C@@H](C)C1 306160509 345051274 /nfs/dbraw/zinc/05/12/74/345051274.db2.gz FYGCETCZAALFOW-KXUCPTDWSA-N 0 1 199.294 1.828 10 0 ADAEMN CCc1nc([C@@]2(N)CC[C@@H]2C)no1 306161357 345052433 /nfs/dbraw/zinc/05/24/33/345052433.db2.gz DVIGLKNUYRDHCP-IMTBSYHQSA-N 0 1 181.239 1.216 10 0 ADAEMN CCc1nc([C@]2(N)CC[C@@H]2C)no1 306161369 345052441 /nfs/dbraw/zinc/05/24/41/345052441.db2.gz DVIGLKNUYRDHCP-RCOVLWMOSA-N 0 1 181.239 1.216 10 0 ADAEMN CCc1nc([C@]2(N)CC[C@H]2C)no1 306161365 345052645 /nfs/dbraw/zinc/05/26/45/345052645.db2.gz DVIGLKNUYRDHCP-MUWHJKNJSA-N 0 1 181.239 1.216 10 0 ADAEMN CCc1nc([C@@]2(N)CC[C@H]2C)no1 306161349 345052661 /nfs/dbraw/zinc/05/26/61/345052661.db2.gz DVIGLKNUYRDHCP-HZGVNTEJSA-N 0 1 181.239 1.216 10 0 ADAEMN C[C@@H]1C[C@@H](N(C)CC2CC2)C(=O)O1 306164035 345055124 /nfs/dbraw/zinc/05/51/24/345055124.db2.gz RUWFZZZTEVDNPZ-VXNVDRBHSA-N 0 1 183.251 1.032 10 0 ADAEMN C[C@H]1C[C@@H](N(C)CC2CC2)C(=O)O1 306164032 345055205 /nfs/dbraw/zinc/05/52/05/345055205.db2.gz RUWFZZZTEVDNPZ-IONNQARKSA-N 0 1 183.251 1.032 10 0 ADAEMN C[C@@H]1C[C@H](N(C)CC2CC2)C(=O)O1 306164027 345055520 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/nfs/dbraw/zinc/05/91/92/345059192.db2.gz JNRNBLRURSWQRG-NXEZZACHSA-N 0 1 199.294 1.970 10 0 ADAEMN CC(C)[C@H]1CCCC[N@H+]1[C@@H](C)C(=O)[O-] 306168139 345059177 /nfs/dbraw/zinc/05/91/77/345059177.db2.gz JNRNBLRURSWQRG-VHSXEESVSA-N 0 1 199.294 1.970 10 0 ADAEMN CC(C)[C@@H]1CCCC[N@H+]1[C@@H](C)C(=O)[O-] 306168131 345059324 /nfs/dbraw/zinc/05/93/24/345059324.db2.gz JNRNBLRURSWQRG-UWVGGRQHSA-N 0 1 199.294 1.970 10 0 ADAEMN CC(C)(F)c1nnc(C2CC2)[nH]1 306169399 345060455 /nfs/dbraw/zinc/06/04/55/345060455.db2.gz FZSISMGNLZQXEN-UHFFFAOYSA-N 0 1 169.203 1.887 10 0 ADAEMN CC(C)(F)c1nc(C2CC2)n[nH]1 306169399 345060460 /nfs/dbraw/zinc/06/04/60/345060460.db2.gz FZSISMGNLZQXEN-UHFFFAOYSA-N 0 1 169.203 1.887 10 0 ADAEMN O=c1[nH]c(F)ccc1Br 306171038 345062626 /nfs/dbraw/zinc/06/26/26/345062626.db2.gz BYIMGKUSZAPATJ-UHFFFAOYSA-N 0 1 191.987 1.689 10 0 ADAEMN Cc1nc([C@@H](N)C2=COCC2)co1 306171630 345063271 /nfs/dbraw/zinc/06/32/71/345063271.db2.gz ZXIQISFBRFIJJK-VIFPVBQESA-N 0 1 180.207 1.287 10 0 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1.814 10 0 ADAEMN NC1(c2nncs2)CCCC1 306183830 345075343 /nfs/dbraw/zinc/07/53/43/345075343.db2.gz CIAQFFCRPIKDLE-UHFFFAOYSA-N 0 1 169.253 1.266 10 0 ADAEMN CC(C)[C@H](C1CC1)N1CCC(=O)C1 306189590 345079330 /nfs/dbraw/zinc/07/93/30/345079330.db2.gz DLSFENSHSMAECX-LLVKDONJSA-N 0 1 181.279 1.696 10 0 ADAEMN CC(C)[C@@H](C1CC1)N1CCC(=O)C1 306189591 345079498 /nfs/dbraw/zinc/07/94/98/345079498.db2.gz DLSFENSHSMAECX-NSHDSACASA-N 0 1 181.279 1.696 10 0 ADAEMN CCN1CC[C@@H](Nc2nncs2)C1 306189531 345079705 /nfs/dbraw/zinc/07/97/05/345079705.db2.gz VVLHXWDMYWYODT-SSDOTTSWSA-N 0 1 198.295 1.044 10 0 ADAEMN CCN1CC[C@H](Nc2nncs2)C1 306189954 345079960 /nfs/dbraw/zinc/07/99/60/345079960.db2.gz VVLHXWDMYWYODT-ZETCQYMHSA-N 0 1 198.295 1.044 10 0 ADAEMN C[C@@H]1C[C@H]1c1cc(CO)n[nH]1 306190044 345080089 /nfs/dbraw/zinc/08/00/89/345080089.db2.gz WEOMXEXLUASNOE-IYSWYEEDSA-N 0 1 152.197 1.025 10 0 ADAEMN C[C@@H]1C[C@@H]1c1cc(CO)n[nH]1 306190046 345080097 /nfs/dbraw/zinc/08/00/97/345080097.db2.gz WEOMXEXLUASNOE-VDTYLAMSSA-N 0 1 152.197 1.025 10 0 ADAEMN C[C@H]1C[C@@H]1c1cc(CO)n[nH]1 306190042 345080293 /nfs/dbraw/zinc/08/02/93/345080293.db2.gz WEOMXEXLUASNOE-FSPLSTOPSA-N 0 1 152.197 1.025 10 0 ADAEMN C[C@H]1C[C@H]1c1cc(CO)n[nH]1 306190040 345080315 /nfs/dbraw/zinc/08/03/15/345080315.db2.gz WEOMXEXLUASNOE-CAHLUQPWSA-N 0 1 152.197 1.025 10 0 ADAEMN CCN1CCCC[C@@H]1c1nnc[nH]1 306191070 345081329 /nfs/dbraw/zinc/08/13/29/345081329.db2.gz QTDZKPHGEOFZBR-MRVPVSSYSA-N 0 1 180.255 1.352 10 0 ADAEMN CCN1CCCC[C@H]1c1nnc[nH]1 306191071 345081503 /nfs/dbraw/zinc/08/15/03/345081503.db2.gz QTDZKPHGEOFZBR-QMMMGPOBSA-N 0 1 180.255 1.352 10 0 ADAEMN C[C@H]1C[C@@H]1c1cc(C=O)[nH]n1 306192082 345081797 /nfs/dbraw/zinc/08/17/97/345081797.db2.gz QKINIHHJZUMXKY-FSPLSTOPSA-N 0 1 150.181 1.346 10 0 ADAEMN N[C@H](C1=COCC1)c1ccccn1 306191732 345082024 /nfs/dbraw/zinc/08/20/24/345082024.db2.gz IJTRBDHCCNXBJB-SNVBAGLBSA-N 0 1 176.219 1.386 10 0 ADAEMN N[C@@H](C1=COCC1)c1ccccn1 306191731 345082030 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306195420 345085150 /nfs/dbraw/zinc/08/51/50/345085150.db2.gz YIOAWAFYGRAPKP-SCSAIBSYSA-N 0 1 175.182 1.872 10 0 ADAEMN Cc1n[nH]c([C@H](C)C(C)(F)F)n1 306195418 345085217 /nfs/dbraw/zinc/08/52/17/345085217.db2.gz YIOAWAFYGRAPKP-BYPYZUCNSA-N 0 1 175.182 1.872 10 0 ADAEMN Cc1occc1[C@@H](N)c1ccc[nH]1 306195723 345085398 /nfs/dbraw/zinc/08/53/98/345085398.db2.gz JJZUJGLANHJBGQ-SNVBAGLBSA-N 0 1 176.219 1.964 10 0 ADAEMN Cc1occc1[C@H](N)c1ccc[nH]1 306195722 345085417 /nfs/dbraw/zinc/08/54/17/345085417.db2.gz JJZUJGLANHJBGQ-JTQLQIEISA-N 0 1 176.219 1.964 10 0 ADAEMN C[C@H]1C[C@H](C)N1C(=O)c1ccn[nH]1 306199259 345087850 /nfs/dbraw/zinc/08/78/50/345087850.db2.gz ZNZLSVMADOQBMB-BQBZGAKWSA-N 0 1 179.223 1.033 10 0 ADAEMN C[C@H]1C[C@@H](C)N1C(=O)c1ccn[nH]1 306199260 345088119 /nfs/dbraw/zinc/08/81/19/345088119.db2.gz ZNZLSVMADOQBMB-KNVOCYPGSA-N 0 1 179.223 1.033 10 0 ADAEMN N[C@@H](c1ccsn1)[C@H]1CCCCO1 306200582 345089046 /nfs/dbraw/zinc/08/90/46/345089046.db2.gz MQGLXVFAOBCJSV-BDAKNGLRSA-N 0 1 198.291 1.712 10 0 ADAEMN N[C@@H](c1ccsn1)[C@@H]1CCCCO1 306200584 345089252 /nfs/dbraw/zinc/08/92/52/345089252.db2.gz MQGLXVFAOBCJSV-IUCAKERBSA-N 0 1 198.291 1.712 10 0 ADAEMN CC[C@](C)(N)C(=O)c1ccsn1 306200643 345089452 /nfs/dbraw/zinc/08/94/52/345089452.db2.gz JSHXNZFRRAYREZ-QMMMGPOBSA-N 0 1 184.264 1.453 10 0 ADAEMN N[C@H](c1ccsn1)[C@H]1CCCCO1 306200585 345089508 /nfs/dbraw/zinc/08/95/08/345089508.db2.gz MQGLXVFAOBCJSV-RKDXNWHRSA-N 0 1 198.291 1.712 10 0 ADAEMN N[C@H](c1ccsn1)[C@@H]1CCCCO1 306200583 345089513 /nfs/dbraw/zinc/08/95/13/345089513.db2.gz MQGLXVFAOBCJSV-DTWKUNHWSA-N 0 1 198.291 1.712 10 0 ADAEMN CN1CCO[C@H](C2CCCCC2)C1 306201483 345090351 /nfs/dbraw/zinc/09/03/51/345090351.db2.gz KTVKNSIJKCCBHB-NSHDSACASA-N 0 1 183.295 1.897 10 0 ADAEMN CN1CCO[C@@H](C2CCCCC2)C1 306201482 345090471 /nfs/dbraw/zinc/09/04/71/345090471.db2.gz KTVKNSIJKCCBHB-LLVKDONJSA-N 0 1 183.295 1.897 10 0 ADAEMN CNC1(c2nc(C)no2)CCCCC1 306203309 345092623 /nfs/dbraw/zinc/09/26/23/345092623.db2.gz MFVJEPRODSOQLL-UHFFFAOYSA-N 0 1 195.266 1.757 10 0 ADAEMN N[C@H](c1ccsn1)[C@@H]1CCCO1 306204316 345092918 /nfs/dbraw/zinc/09/29/18/345092918.db2.gz NJRJGBHNMNGJFL-JGVFFNPUSA-N 0 1 184.264 1.322 10 0 ADAEMN N[C@@H](c1ccsn1)[C@@H]1CCCO1 306204318 345092925 /nfs/dbraw/zinc/09/29/25/345092925.db2.gz NJRJGBHNMNGJFL-YUMQZZPRSA-N 0 1 184.264 1.322 10 0 ADAEMN N[C@@H](c1ccsn1)[C@H]1CCCO1 306204317 345093033 /nfs/dbraw/zinc/09/30/33/345093033.db2.gz NJRJGBHNMNGJFL-SFYZADRCSA-N 0 1 184.264 1.322 10 0 ADAEMN N[C@H](c1ccsn1)[C@H]1CCCO1 306204314 345093237 /nfs/dbraw/zinc/09/32/37/345093237.db2.gz NJRJGBHNMNGJFL-HTQZYQBOSA-N 0 1 184.264 1.322 10 0 ADAEMN CN[C@H](c1ccsn1)C1CC1 306206664 345095688 /nfs/dbraw/zinc/09/56/88/345095688.db2.gz QESZGVJRYMKNSH-QMMMGPOBSA-N 0 1 168.265 1.814 10 0 ADAEMN O=C(Nc1c[nH]nn1)c1ccsc1 306206529 345095869 /nfs/dbraw/zinc/09/58/69/345095869.db2.gz CDVOANPEPSWHBI-UHFFFAOYSA-N 0 1 194.219 1.119 10 0 ADAEMN CC1(C)CC[C@H]1[N@H+]1CC[C@@H](C(=O)[O-])C1 306208540 345098090 /nfs/dbraw/zinc/09/80/90/345098090.db2.gz RRPVECPBJWWPLW-RKDXNWHRSA-N 0 1 197.278 1.582 10 0 ADAEMN C[C@H]1CCC[C@](N)(c2nncs2)C1 306208785 345098128 /nfs/dbraw/zinc/09/81/28/345098128.db2.gz MSCVVAKSNSGGEE-IONNQARKSA-N 0 1 197.307 1.902 10 0 ADAEMN C[C@H]1CCC[C@@](N)(c2nncs2)C1 306208783 345098156 /nfs/dbraw/zinc/09/81/56/345098156.db2.gz MSCVVAKSNSGGEE-CBAPKCEASA-N 0 1 197.307 1.902 10 0 ADAEMN CC1(C)CC[C@H]1[N@H+]1CC[C@H](C(=O)[O-])C1 306208538 345098308 /nfs/dbraw/zinc/09/83/08/345098308.db2.gz RRPVECPBJWWPLW-DTWKUNHWSA-N 0 1 197.278 1.582 10 0 ADAEMN CC1(C)CC[C@@H]1[N@H+]1CC[C@@H](C(=O)[O-])C1 306208537 345098333 /nfs/dbraw/zinc/09/83/33/345098333.db2.gz RRPVECPBJWWPLW-BDAKNGLRSA-N 0 1 197.278 1.582 10 0 ADAEMN C[C@@H]1CCC[C@@](N)(c2nncs2)C1 306208781 345098352 /nfs/dbraw/zinc/09/83/52/345098352.db2.gz MSCVVAKSNSGGEE-APPZFPTMSA-N 0 1 197.307 1.902 10 0 ADAEMN Cc1cc([C@@H](N)[C@@H]2CCCO2)sn1 306208575 345098410 /nfs/dbraw/zinc/09/84/10/345098410.db2.gz RUZGPWMSNWGOND-CBAPKCEASA-N 0 1 198.291 1.630 10 0 ADAEMN C[C@@H]1CCC[C@](N)(c2nncs2)C1 306208787 345098443 /nfs/dbraw/zinc/09/84/43/345098443.db2.gz MSCVVAKSNSGGEE-VXNVDRBHSA-N 0 1 197.307 1.902 10 0 ADAEMN Cc1cc([C@H](N)[C@@H]2CCCO2)sn1 306208576 345098453 /nfs/dbraw/zinc/09/84/53/345098453.db2.gz RUZGPWMSNWGOND-IONNQARKSA-N 0 1 198.291 1.630 10 0 ADAEMN Cc1cc([C@H](N)[C@H]2CCCO2)sn1 306208577 345098480 /nfs/dbraw/zinc/09/84/80/345098480.db2.gz RUZGPWMSNWGOND-VXNVDRBHSA-N 0 1 198.291 1.630 10 0 ADAEMN CCNc1ccc(CN2CCC2)cn1 306209526 345099361 /nfs/dbraw/zinc/09/93/61/345099361.db2.gz SWUCYZIWZHHCPY-UHFFFAOYSA-N 0 1 191.278 1.719 10 0 ADAEMN C[C@](N)(C(F)F)[C@@H]1CCCO1 306211193 345101103 /nfs/dbraw/zinc/10/11/03/345101103.db2.gz QRBMRGUXQCOUHV-CAHLUQPWSA-N 0 1 165.183 1.148 10 0 ADAEMN C[C@](N)(C(F)F)[C@H]1CCCO1 306211195 345101181 /nfs/dbraw/zinc/10/11/81/345101181.db2.gz QRBMRGUXQCOUHV-IYSWYEEDSA-N 0 1 165.183 1.148 10 0 ADAEMN C[C@@](N)(C(F)F)[C@@H]1CCCO1 306211194 345101250 /nfs/dbraw/zinc/10/12/50/345101250.db2.gz QRBMRGUXQCOUHV-FSPLSTOPSA-N 0 1 165.183 1.148 10 0 ADAEMN C[C@@](N)(C(F)F)[C@H]1CCCO1 306211196 345101347 /nfs/dbraw/zinc/10/13/47/345101347.db2.gz QRBMRGUXQCOUHV-VDTYLAMSSA-N 0 1 165.183 1.148 10 0 ADAEMN CC(C)c1nc(C2(C)CC2)n[nH]1 306213311 345103212 /nfs/dbraw/zinc/10/32/12/345103212.db2.gz YYBJRUPDNTWPLB-UHFFFAOYSA-N 0 1 165.240 1.980 10 0 ADAEMN CC(C)c1n[nH]c(C2(C)CC2)n1 306213311 345103213 /nfs/dbraw/zinc/10/32/13/345103213.db2.gz YYBJRUPDNTWPLB-UHFFFAOYSA-N 0 1 165.240 1.980 10 0 ADAEMN C[C@H]1CCCN1Cc1ncccn1 306213524 345103751 /nfs/dbraw/zinc/10/37/51/345103751.db2.gz LNSZEYQOWVPNMC-VIFPVBQESA-N 0 1 177.251 1.461 10 0 ADAEMN CC1(CCN2C[C@@H](N)C2=O)CCCC1 306213510 345103933 /nfs/dbraw/zinc/10/39/33/345103933.db2.gz XJFWQPLWHAWDCX-SECBINFHSA-N 0 1 196.294 1.126 10 0 ADAEMN CC1(CCN2C[C@H](N)C2=O)CCCC1 306213511 345104034 /nfs/dbraw/zinc/10/40/34/345104034.db2.gz XJFWQPLWHAWDCX-VIFPVBQESA-N 0 1 196.294 1.126 10 0 ADAEMN CCc1nc(N)c(C)c(N2CCC2)n1 306214021 345104498 /nfs/dbraw/zinc/10/44/98/345104498.db2.gz XWEZNUJLMIZCQZ-UHFFFAOYSA-N 0 1 192.266 1.140 10 0 ADAEMN CCn1c(C(F)(F)F)cnc1N 306216019 345107576 /nfs/dbraw/zinc/10/75/76/345107576.db2.gz KGWRQHFEDYKUML-UHFFFAOYSA-N 0 1 179.145 1.504 10 0 ADAEMN C[C@@H]1C[C@@](O)(c2cscn2)CN1C 306218271 345110060 /nfs/dbraw/zinc/11/00/60/345110060.db2.gz FGQUWBXGMGHMJO-APPZFPTMSA-N 0 1 198.291 1.055 10 0 ADAEMN C[C@@H]1C[C@](O)(c2cscn2)CN1C 306218274 345110266 /nfs/dbraw/zinc/11/02/66/345110266.db2.gz FGQUWBXGMGHMJO-VXNVDRBHSA-N 0 1 198.291 1.055 10 0 ADAEMN C[C@H]1C[C@](O)(c2cscn2)CN1C 306218273 345110277 /nfs/dbraw/zinc/11/02/77/345110277.db2.gz FGQUWBXGMGHMJO-IONNQARKSA-N 0 1 198.291 1.055 10 0 ADAEMN C[C@H]1C[C@@](O)(c2cscn2)CN1C 306218272 345110343 /nfs/dbraw/zinc/11/03/43/345110343.db2.gz FGQUWBXGMGHMJO-CBAPKCEASA-N 0 1 198.291 1.055 10 0 ADAEMN C[C@@H]1CCO[C@H]1[C@H](N)c1ccsn1 306219718 345111848 /nfs/dbraw/zinc/11/18/48/345111848.db2.gz 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ADAEMN Cc1ncc(C[N@@H+]2CC[C@@H](C)C2)[nH]1 306227903 345121152 /nfs/dbraw/zinc/12/11/52/345121152.db2.gz WWLTZDPJQDOZCX-MRVPVSSYSA-N 0 1 179.267 1.560 10 0 ADAEMN Cc1ncc(C[N@@H+]2CC[C@H](C)C2)[nH]1 306227904 345121380 /nfs/dbraw/zinc/12/13/80/345121380.db2.gz WWLTZDPJQDOZCX-QMMMGPOBSA-N 0 1 179.267 1.560 10 0 ADAEMN CC[C@H]1CCN1Cc1cncnc1 306228521 345122091 /nfs/dbraw/zinc/12/20/91/345122091.db2.gz HSHVDIXPOQDTNK-JTQLQIEISA-N 0 1 177.251 1.461 10 0 ADAEMN CC[C@@H]1CCN1Cc1cncnc1 306228523 345122178 /nfs/dbraw/zinc/12/21/78/345122178.db2.gz HSHVDIXPOQDTNK-SNVBAGLBSA-N 0 1 177.251 1.461 10 0 ADAEMN CSC1(c2ncn(C)c2N)CC1 306229855 345122969 /nfs/dbraw/zinc/12/29/69/345122969.db2.gz JZGWABFHDWHPRG-UHFFFAOYSA-N 0 1 183.280 1.354 10 0 ADAEMN CC[C@@H]1CC[C@@](N)(c2nncs2)C1 306231126 345124618 /nfs/dbraw/zinc/12/46/18/345124618.db2.gz JOBTYRYHIMWRNZ-APPZFPTMSA-N 0 1 197.307 1.902 10 0 ADAEMN CC[C@@H]1CC[C@](N)(c2nncs2)C1 306231136 345124630 /nfs/dbraw/zinc/12/46/30/345124630.db2.gz JOBTYRYHIMWRNZ-VXNVDRBHSA-N 0 1 197.307 1.902 10 0 ADAEMN CC[C@H]1CC[C@@](N)(c2nncs2)C1 306231130 345124765 /nfs/dbraw/zinc/12/47/65/345124765.db2.gz JOBTYRYHIMWRNZ-CBAPKCEASA-N 0 1 197.307 1.902 10 0 ADAEMN CC[C@H]1CC[C@](N)(c2nncs2)C1 306231134 345124851 /nfs/dbraw/zinc/12/48/51/345124851.db2.gz JOBTYRYHIMWRNZ-IONNQARKSA-N 0 1 197.307 1.902 10 0 ADAEMN CCC[C@]1(C2CCC2)OC(=O)NC1=O 306232354 345125782 /nfs/dbraw/zinc/12/57/82/345125782.db2.gz MAHROFHHGUSZSE-SNVBAGLBSA-N 0 1 197.234 1.592 10 0 ADAEMN Cc1cc([C@@H](N)c2ccc[nH]2)co1 306232757 345126547 /nfs/dbraw/zinc/12/65/47/345126547.db2.gz CFWDMENASGBSNH-SNVBAGLBSA-N 0 1 176.219 1.964 10 0 ADAEMN Cc1cc([C@H](N)c2ccc[nH]2)co1 306232755 345126553 /nfs/dbraw/zinc/12/65/53/345126553.db2.gz CFWDMENASGBSNH-JTQLQIEISA-N 0 1 176.219 1.964 10 0 ADAEMN CNC(=O)c1c(C)n[nH]c1C(F)F 306235188 345128085 /nfs/dbraw/zinc/12/80/85/345128085.db2.gz DMPIDVQAIUDSRU-UHFFFAOYSA-N 0 1 189.165 1.015 10 0 ADAEMN Cc1n[nH]c(-c2sccc2F)n1 306236732 345129820 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345198825 /nfs/dbraw/zinc/19/88/25/345198825.db2.gz IPVGSZFDGVMVCZ-SECBINFHSA-N 0 1 165.240 1.394 10 0 ADAEMN CC[C@H]1CC[N@H+]1Cc1cnc[nH]1 306321357 345198896 /nfs/dbraw/zinc/19/88/96/345198896.db2.gz IPVGSZFDGVMVCZ-VIFPVBQESA-N 0 1 165.240 1.394 10 0 ADAEMN Nc1ccc(CN2CC=CC2)nc1 306321576 345199691 /nfs/dbraw/zinc/19/96/91/345199691.db2.gz NHTOIAKVGXQFCL-UHFFFAOYSA-N 0 1 175.235 1.036 10 0 ADAEMN CC1(C)CCN1Cc1cnc(N)s1 306323258 345200911 /nfs/dbraw/zinc/20/09/11/345200911.db2.gz ZRLRRAIILNGSQP-UHFFFAOYSA-N 0 1 197.307 1.710 10 0 ADAEMN CC1(C)CN([C@@H]2CCCC2=O)C1 306323705 345201582 /nfs/dbraw/zinc/20/15/82/345201582.db2.gz PMXSWWYVJCRFNQ-MRVPVSSYSA-N 0 1 167.252 1.450 10 0 ADAEMN CC1(C)CN([C@H]2CCCC2=O)C1 306323713 345201675 /nfs/dbraw/zinc/20/16/75/345201675.db2.gz PMXSWWYVJCRFNQ-QMMMGPOBSA-N 0 1 167.252 1.450 10 0 ADAEMN CC(C)(N)c1noc(C(C)(F)F)n1 306325794 345203302 /nfs/dbraw/zinc/20/33/02/345203302.db2.gz RVHZFMUFSKFPKA-UHFFFAOYSA-N 0 1 191.181 1.375 10 0 ADAEMN Cc1c[nH]nc1C[N@@H+]1CC=CCC1 306326227 345203461 /nfs/dbraw/zinc/20/34/61/345203461.db2.gz MAAYRZTVGWQMMF-UHFFFAOYSA-N 0 1 177.251 1.480 10 0 ADAEMN O=c1[nH]cnc(NCCF)c1Cl 306327240 345204836 /nfs/dbraw/zinc/20/48/36/345204836.db2.gz KEOWUSQPQRTCBO-UHFFFAOYSA-N 0 1 191.593 1.217 10 0 ADAEMN CC(C)=C(F)C(=O)Nc1c[nH]nn1 306328885 345206117 /nfs/dbraw/zinc/20/61/17/345206117.db2.gz YOFJXRVDYXMJLQ-UHFFFAOYSA-N 0 1 184.174 1.007 10 0 ADAEMN CNC(=O)c1sccc1CN(C)C 306329830 345206761 /nfs/dbraw/zinc/20/67/61/345206761.db2.gz BBBUTZFVXKBHOL-UHFFFAOYSA-N 0 1 198.291 1.169 10 0 ADAEMN CCNCc1nc(Cl)cs1 306331282 345208166 /nfs/dbraw/zinc/20/81/66/345208166.db2.gz QIHBLLSAAVDVNX-UHFFFAOYSA-N 0 1 176.672 1.906 10 0 ADAEMN NC1(c2ncc3ccsc3n2)CC1 306331189 345208251 /nfs/dbraw/zinc/20/82/51/345208251.db2.gz PUOMUFQABKYIIA-UHFFFAOYSA-N 0 1 191.259 1.639 10 0 ADAEMN Nc1ncc(CN2CC=CCC2)s1 306332499 345209201 /nfs/dbraw/zinc/20/92/01/345209201.db2.gz QIKZANAPFQSFQB-UHFFFAOYSA-N 0 1 195.291 1.487 10 0 ADAEMN Cc1c[nH]nc1C[N@@H+]1CC[C@H](C)C1 306334100 345210553 /nfs/dbraw/zinc/21/05/53/345210553.db2.gz UBXBZGMONBCUSV-QMMMGPOBSA-N 0 1 179.267 1.560 10 0 ADAEMN C[C@H]1CCN(Cc2cc[nH]n2)C1 306333728 345210665 /nfs/dbraw/zinc/21/06/65/345210665.db2.gz DWMSUQQAQQHOSX-QMMMGPOBSA-N 0 1 165.240 1.252 10 0 ADAEMN Cc1c[nH]nc1C[N@@H+]1CC[C@@H](C)C1 306334099 345210694 /nfs/dbraw/zinc/21/06/94/345210694.db2.gz UBXBZGMONBCUSV-MRVPVSSYSA-N 0 1 179.267 1.560 10 0 ADAEMN C[C@@](N)(c1nccs1)[C@@H]1CCCO1 306335334 345211118 /nfs/dbraw/zinc/21/11/18/345211118.db2.gz GHTMROFPWKQZML-CBAPKCEASA-N 0 1 198.291 1.496 10 0 ADAEMN C[C@@](N)(c1nccs1)[C@H]1CCCO1 306335333 345211160 /nfs/dbraw/zinc/21/11/60/345211160.db2.gz GHTMROFPWKQZML-APPZFPTMSA-N 0 1 198.291 1.496 10 0 ADAEMN CC1(C)C[C@@H]1[NH2+]Cc1ncccc1[O-] 306334689 345211190 /nfs/dbraw/zinc/21/11/90/345211190.db2.gz JATCQPIMYIRIKE-JTQLQIEISA-N 0 1 192.262 1.675 10 0 ADAEMN CC1(C)C[C@H]1[NH2+]Cc1ncccc1[O-] 306334690 345211262 /nfs/dbraw/zinc/21/12/62/345211262.db2.gz JATCQPIMYIRIKE-SNVBAGLBSA-N 0 1 192.262 1.675 10 0 ADAEMN C[C@](N)(c1nccs1)[C@@H]1CCCO1 306335335 345211310 /nfs/dbraw/zinc/21/13/10/345211310.db2.gz GHTMROFPWKQZML-IONNQARKSA-N 0 1 198.291 1.496 10 0 ADAEMN C[C@](N)(c1nccs1)[C@H]1CCCO1 306335336 345211348 /nfs/dbraw/zinc/21/13/48/345211348.db2.gz GHTMROFPWKQZML-VXNVDRBHSA-N 0 1 198.291 1.496 10 0 ADAEMN COC(C)(C)[C@@H]1NC[C@@H](C)CS1 306337836 345213675 /nfs/dbraw/zinc/21/36/75/345213675.db2.gz XEAJDTDPGKQDBK-HTQZYQBOSA-N 0 1 189.324 1.710 10 0 ADAEMN COC(C)(C)[C@H]1NC[C@@H](C)CS1 306337844 345213421 /nfs/dbraw/zinc/21/34/21/345213421.db2.gz XEAJDTDPGKQDBK-SFYZADRCSA-N 0 1 189.324 1.710 10 0 ADAEMN COC(C)(C)[C@H]1NC[C@H](C)CS1 306337847 345213500 /nfs/dbraw/zinc/21/35/00/345213500.db2.gz XEAJDTDPGKQDBK-YUMQZZPRSA-N 0 1 189.324 1.710 10 0 ADAEMN COC(C)(C)[C@@H]1NC[C@H](C)CS1 306337839 345213793 /nfs/dbraw/zinc/21/37/93/345213793.db2.gz XEAJDTDPGKQDBK-JGVFFNPUSA-N 0 1 189.324 1.710 10 0 ADAEMN Cc1cnc(=NN)[nH]c1[C@H]1C[C@@H]1C 306341764 345215834 /nfs/dbraw/zinc/21/58/34/345215834.db2.gz DPERAUZXLYPXCQ-FSPLSTOPSA-N 0 1 178.239 1.194 10 0 ADAEMN Cc1cnc(=NN)[nH]c1[C@H]1C[C@H]1C 306341766 345216134 /nfs/dbraw/zinc/21/61/34/345216134.db2.gz DPERAUZXLYPXCQ-VDTYLAMSSA-N 0 1 178.239 1.194 10 0 ADAEMN Cc1cnc(=NN)[nH]c1[C@@H]1C[C@H]1C 306341765 345216180 /nfs/dbraw/zinc/21/61/80/345216180.db2.gz DPERAUZXLYPXCQ-IYSWYEEDSA-N 0 1 178.239 1.194 10 0 ADAEMN Cc1cnc(=NN)[nH]c1[C@@H]1C[C@@H]1C 306341763 345216198 /nfs/dbraw/zinc/21/61/98/345216198.db2.gz DPERAUZXLYPXCQ-CAHLUQPWSA-N 0 1 178.239 1.194 10 0 ADAEMN Cc1nc(CN2[C@@H](C)C[C@H]2C)n[nH]1 306343406 345217643 /nfs/dbraw/zinc/21/76/43/345217643.db2.gz CTEIOQDNABTATB-KNVOCYPGSA-N 0 1 180.255 1.096 10 0 ADAEMN Cc1nc(CN2[C@@H](C)C[C@@H]2C)n[nH]1 306343405 345217717 /nfs/dbraw/zinc/21/77/17/345217717.db2.gz CTEIOQDNABTATB-BQBZGAKWSA-N 0 1 180.255 1.096 10 0 ADAEMN CCC(C)(C)C(=O)Nc1c[nH]nn1 306343714 345217784 /nfs/dbraw/zinc/21/77/84/345217784.db2.gz BVUGDQDDPCMISA-UHFFFAOYSA-N 0 1 182.227 1.179 10 0 ADAEMN Cc1nc(CN2[C@H](C)C[C@H]2C)n[nH]1 306343407 345217923 /nfs/dbraw/zinc/21/79/23/345217923.db2.gz CTEIOQDNABTATB-RNFRBKRXSA-N 0 1 180.255 1.096 10 0 ADAEMN N[C@@H](c1cscn1)[C@@H]1CCCCO1 306345140 345218757 /nfs/dbraw/zinc/21/87/57/345218757.db2.gz NZGPFTYLLUXHRE-IUCAKERBSA-N 0 1 198.291 1.712 10 0 ADAEMN N[C@H](c1cscn1)[C@H]1CCCCO1 306345145 345218776 /nfs/dbraw/zinc/21/87/76/345218776.db2.gz NZGPFTYLLUXHRE-RKDXNWHRSA-N 0 1 198.291 1.712 10 0 ADAEMN N[C@@H](c1cscn1)[C@H]1CCCCO1 306345133 345218821 /nfs/dbraw/zinc/21/88/21/345218821.db2.gz NZGPFTYLLUXHRE-BDAKNGLRSA-N 0 1 198.291 1.712 10 0 ADAEMN N[C@H](c1cscn1)[C@@H]1CCCCO1 306345135 345218843 /nfs/dbraw/zinc/21/88/43/345218843.db2.gz NZGPFTYLLUXHRE-DTWKUNHWSA-N 0 1 198.291 1.712 10 0 ADAEMN CNC(=O)c1c(C)n[nH]c1C(C)C 306345222 345218914 /nfs/dbraw/zinc/21/89/14/345218914.db2.gz DKTVDHYRRIFKFN-UHFFFAOYSA-N 0 1 181.239 1.201 10 0 ADAEMN c1c[nH]c(CN2CCSCC2)c1 306345671 345219580 /nfs/dbraw/zinc/21/95/80/345219580.db2.gz DXPZXXGQVBZMIA-UHFFFAOYSA-N 0 1 182.292 1.564 10 0 ADAEMN CC=C(CC)C(=O)Nc1ncc[nH]1 306352596 345225162 /nfs/dbraw/zinc/22/51/62/345225162.db2.gz ZMOIFNIRUZUXPC-CLTKARDFSA-N 0 1 179.223 1.705 10 0 ADAEMN NNc1ccnc(CC2CCC2)n1 306354661 345226521 /nfs/dbraw/zinc/22/65/21/345226521.db2.gz RIOJTKHMIHVRPR-UHFFFAOYSA-N 0 1 178.239 1.105 10 0 ADAEMN C[C@@H]1CC[C@@H]1NC(=O)C(F)(F)F 306357780 345228707 /nfs/dbraw/zinc/22/87/07/345228707.db2.gz WRWOJVVFXHOUFH-UHNVWZDZSA-N 0 1 181.157 1.463 10 0 ADAEMN C[C@H]1CC[C@H]1NC(=O)C(F)(F)F 306357778 345228737 /nfs/dbraw/zinc/22/87/37/345228737.db2.gz WRWOJVVFXHOUFH-CRCLSJGQSA-N 0 1 181.157 1.463 10 0 ADAEMN C[C@@H]1CC[C@H]1NC(=O)C(F)(F)F 306357779 345228950 /nfs/dbraw/zinc/22/89/50/345228950.db2.gz WRWOJVVFXHOUFH-RFZPGFLSSA-N 0 1 181.157 1.463 10 0 ADAEMN C[C@H]1CC[C@@H]1NC(=O)C(F)(F)F 306357781 345228958 /nfs/dbraw/zinc/22/89/58/345228958.db2.gz WRWOJVVFXHOUFH-WHFBIAKZSA-N 0 1 181.157 1.463 10 0 ADAEMN O=C1CCCCN1CN1CCCC1 306360647 345231218 /nfs/dbraw/zinc/23/12/18/345231218.db2.gz BNVGRRWFOBQSLK-UHFFFAOYSA-N 0 1 182.267 1.052 10 0 ADAEMN FCC[N@H+]1CCCSCC1 306361603 345231887 /nfs/dbraw/zinc/23/18/87/345231887.db2.gz PTAJNUPEIPWNJL-UHFFFAOYSA-N 0 1 163.261 1.395 10 0 ADAEMN FCCN1CCCSCC1 306361603 345231892 /nfs/dbraw/zinc/23/18/92/345231892.db2.gz PTAJNUPEIPWNJL-UHFFFAOYSA-N 0 1 163.261 1.395 10 0 ADAEMN c1c[nH]c(CN2CCC[C@H]3C[C@H]32)n1 306363488 345233674 /nfs/dbraw/zinc/23/36/74/345233674.db2.gz YEERQIJXCDQGTR-DTWKUNHWSA-N 0 1 177.251 1.394 10 0 ADAEMN C[C@H]1CN(Cc2ccnn2C)[C@@H]1C 306371172 345239731 /nfs/dbraw/zinc/23/97/31/345239731.db2.gz CJWAXKHMWLCKBJ-DTWKUNHWSA-N 0 1 179.267 1.260 10 0 ADAEMN C[C@H]1CN(Cc2ccnn2C)[C@H]1C 306371175 345239757 /nfs/dbraw/zinc/23/97/57/345239757.db2.gz CJWAXKHMWLCKBJ-IUCAKERBSA-N 0 1 179.267 1.260 10 0 ADAEMN C[C@H]1[C@H](C)CN1Cc1ccnn1C 306371170 345239808 /nfs/dbraw/zinc/23/98/08/345239808.db2.gz CJWAXKHMWLCKBJ-BDAKNGLRSA-N 0 1 179.267 1.260 10 0 ADAEMN CC[C@H]1CCN1Cc1cc(C)no1 306373337 345240804 /nfs/dbraw/zinc/24/08/04/345240804.db2.gz IVVIYIYXYLAMQS-VIFPVBQESA-N 0 1 180.251 1.967 10 0 ADAEMN C[C@@H](O)c1nc(C2CCC2)n[nH]1 306373024 345240839 /nfs/dbraw/zinc/24/08/39/345240839.db2.gz OZKCXAZHFKELQL-RXMQYKEDSA-N 0 1 167.212 1.126 10 0 ADAEMN C[C@@H](O)c1n[nH]c(C2CCC2)n1 306373024 345240840 /nfs/dbraw/zinc/24/08/40/345240840.db2.gz OZKCXAZHFKELQL-RXMQYKEDSA-N 0 1 167.212 1.126 10 0 ADAEMN CC[C@@H]1CCN1Cc1cc(C)no1 306373336 345240849 /nfs/dbraw/zinc/24/08/49/345240849.db2.gz IVVIYIYXYLAMQS-SECBINFHSA-N 0 1 180.251 1.967 10 0 ADAEMN C[C@H](O)c1nc(C2CCC2)n[nH]1 306373030 345240858 /nfs/dbraw/zinc/24/08/58/345240858.db2.gz OZKCXAZHFKELQL-YFKPBYRVSA-N 0 1 167.212 1.126 10 0 ADAEMN CC[C@@](C)(N)c1nnc(C)s1 306372923 345240883 /nfs/dbraw/zinc/24/08/83/345240883.db2.gz OWYBBOLXZVAHHF-SSDOTTSWSA-N 0 1 171.269 1.430 10 0 ADAEMN CC[C@](C)(N)c1nnc(C)s1 306372928 345240989 /nfs/dbraw/zinc/24/09/89/345240989.db2.gz OWYBBOLXZVAHHF-ZETCQYMHSA-N 0 1 171.269 1.430 10 0 ADAEMN CSCc1cc(C)nc(N)c1 306377218 345243808 /nfs/dbraw/zinc/24/38/08/345243808.db2.gz FBXXOFOFPWPKDH-UHFFFAOYSA-N 0 1 168.265 1.835 10 0 ADAEMN CN[C@@H](CO)c1ccsc1Cl 306377435 345244538 /nfs/dbraw/zinc/24/45/38/345244538.db2.gz RUHJSAATNQRWIF-LURJTMIESA-N 0 1 191.683 1.654 10 0 ADAEMN CN[C@H](CO)c1ccsc1Cl 306377436 345244573 /nfs/dbraw/zinc/24/45/73/345244573.db2.gz RUHJSAATNQRWIF-ZCFIWIBFSA-N 0 1 191.683 1.654 10 0 ADAEMN O=C(N[C@H]1CC[C@@H](F)C1)C(F)(F)F 306383169 345248574 /nfs/dbraw/zinc/24/85/74/345248574.db2.gz QCMWCBDMMSMNDR-UHNVWZDZSA-N 0 1 199.147 1.556 10 0 ADAEMN CNC(=O)c1[nH]nc(C2CC2)c1Cl 306383986 345248997 /nfs/dbraw/zinc/24/89/97/345248997.db2.gz CSOSQYGGTREUMO-UHFFFAOYSA-N 0 1 199.641 1.300 10 0 ADAEMN N[C@@]1(c2ccsn2)CCCOC1 306384235 345249544 /nfs/dbraw/zinc/24/95/44/345249544.db2.gz CFOWRZCTBDXADV-QMMMGPOBSA-N 0 1 184.264 1.108 10 0 ADAEMN N[C@]1(c2ccsn2)CCCOC1 306384234 345249725 /nfs/dbraw/zinc/24/97/25/345249725.db2.gz CFOWRZCTBDXADV-MRVPVSSYSA-N 0 1 184.264 1.108 10 0 ADAEMN CNc1cc(C)nc(C(N)=S)c1 306385145 345250121 /nfs/dbraw/zinc/25/01/21/345250121.db2.gz WRMBAUZAOXTPJX-UHFFFAOYSA-N 0 1 181.264 1.066 10 0 ADAEMN Cc1[nH]ncc1CNc1cnsn1 306388554 345252687 /nfs/dbraw/zinc/25/26/87/345252687.db2.gz VOLYRXFVTSZCTD-UHFFFAOYSA-N 0 1 195.251 1.182 10 0 ADAEMN c1nc([C@H]2NCC23CCC3)cs1 306389571 345253222 /nfs/dbraw/zinc/25/32/22/345253222.db2.gz YTMTZYXHKGZFNK-MRVPVSSYSA-N 0 1 180.276 1.958 10 0 ADAEMN c1nc([C@@H]2NCC23CCC3)cs1 306389572 345253302 /nfs/dbraw/zinc/25/33/02/345253302.db2.gz YTMTZYXHKGZFNK-QMMMGPOBSA-N 0 1 180.276 1.958 10 0 ADAEMN CC1(C2CC2)CC(=O)CC(=O)C1 306390988 345254275 /nfs/dbraw/zinc/25/42/75/345254275.db2.gz ZQOXDHRWFURJAM-UHFFFAOYSA-N 0 1 166.220 1.725 10 0 ADAEMN Cc1ccnc(NCCCF)c1N 306391661 345254928 /nfs/dbraw/zinc/25/49/28/345254928.db2.gz DHFDBXNBGIORAY-UHFFFAOYSA-N 0 1 183.230 1.744 10 0 ADAEMN Cc1ccoc1CNc1nccn1C 306392162 345255234 /nfs/dbraw/zinc/25/52/34/345255234.db2.gz GUSUUOARQPWRBQ-UHFFFAOYSA-N 0 1 191.234 1.934 10 0 ADAEMN c1cc(CNC2CSC2)co1 306392503 345255423 /nfs/dbraw/zinc/25/54/23/345255423.db2.gz DTNKDZDCRODAEF-UHFFFAOYSA-N 0 1 169.249 1.485 10 0 ADAEMN Cc1ccncc1CN1CC(C)C1 306393296 345255656 /nfs/dbraw/zinc/25/56/56/345255656.db2.gz DSUKYHBLTTYFPS-UHFFFAOYSA-N 0 1 176.263 1.842 10 0 ADAEMN C[C@@H]1CCC[C@H](c2cn(C)nn2)N1 306394665 345256858 /nfs/dbraw/zinc/25/68/58/345256858.db2.gz FZXMCKVNIHZIDF-HTQZYQBOSA-N 0 1 180.255 1.018 10 0 ADAEMN C[C@@H]1CCC[C@@H](c2cn(C)nn2)N1 306394669 345256924 /nfs/dbraw/zinc/25/69/24/345256924.db2.gz FZXMCKVNIHZIDF-SFYZADRCSA-N 0 1 180.255 1.018 10 0 ADAEMN C[C@H]1CCC[C@H](c2cn(C)nn2)N1 306394667 345256946 /nfs/dbraw/zinc/25/69/46/345256946.db2.gz FZXMCKVNIHZIDF-JGVFFNPUSA-N 0 1 180.255 1.018 10 0 ADAEMN C[C@H]1CCC[C@@H](c2cn(C)nn2)N1 306394671 345257213 /nfs/dbraw/zinc/25/72/13/345257213.db2.gz FZXMCKVNIHZIDF-YUMQZZPRSA-N 0 1 180.255 1.018 10 0 ADAEMN O=C(c1ccc(O)c(Cl)c1)N1CC1 306399058 345260081 /nfs/dbraw/zinc/26/00/81/345260081.db2.gz KUQUZNRWDNOJTE-UHFFFAOYSA-N 0 1 197.621 1.501 10 0 ADAEMN C[C@H]1C[N@@H+](C)[C@H](C)CN1CCCF 306400683 345261490 /nfs/dbraw/zinc/26/14/90/345261490.db2.gz AVWOSJWVJYCSSD-ZJUUUORDSA-N 0 1 188.290 1.370 10 0 ADAEMN C[C@H]1CN(CCCF)[C@H](C)C[N@H+]1C 306400682 345261575 /nfs/dbraw/zinc/26/15/75/345261575.db2.gz AVWOSJWVJYCSSD-VHSXEESVSA-N 0 1 188.290 1.370 10 0 ADAEMN C[C@H]1C[N@@H+](C)[C@@H](C)CN1CCCF 306400681 345261767 /nfs/dbraw/zinc/26/17/67/345261767.db2.gz AVWOSJWVJYCSSD-UWVGGRQHSA-N 0 1 188.290 1.370 10 0 ADAEMN N[C@@H](c1ncon1)[C@@H]1CCCSC1 306403587 345263826 /nfs/dbraw/zinc/26/38/26/345263826.db2.gz GJSMDHLUYFTNHC-RNFRBKRXSA-N 0 1 199.279 1.213 10 0 ADAEMN N[C@H](c1ncon1)[C@@H]1CCCSC1 306403588 345263920 /nfs/dbraw/zinc/26/39/20/345263920.db2.gz GJSMDHLUYFTNHC-RQJHMYQMSA-N 0 1 199.279 1.213 10 0 ADAEMN N[C@H](c1ncon1)[C@H]1CCCSC1 306403585 345263939 /nfs/dbraw/zinc/26/39/39/345263939.db2.gz 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C[C@@H]([C@H]1CN=C(N)O1)C(C)(C)C 306408638 345268646 /nfs/dbraw/zinc/26/86/46/345268646.db2.gz NJLGJHMOFNVWTF-NKWVEPMBSA-N 0 1 170.256 1.382 10 0 ADAEMN C[C@H]([C@H]1CN=C(N)O1)C(C)(C)C 306408640 345268634 /nfs/dbraw/zinc/26/86/34/345268634.db2.gz NJLGJHMOFNVWTF-RNFRBKRXSA-N 0 1 170.256 1.382 10 0 ADAEMN Cc1nnc(C2(N)CCC2)s1 306411052 345270242 /nfs/dbraw/zinc/27/02/42/345270242.db2.gz UKTIDGFNVYDTDF-UHFFFAOYSA-N 0 1 169.253 1.184 10 0 ADAEMN O=C([O-])C[N@H+]1C[C@H]2CCCCC[C@H]21 306411143 345270458 /nfs/dbraw/zinc/27/04/58/345270458.db2.gz OERLDRQITGKPPC-RKDXNWHRSA-N 0 1 183.251 1.336 10 0 ADAEMN O=C([O-])C[N@H+]1C[C@H]2CCCCC[C@@H]21 306411140 345270485 /nfs/dbraw/zinc/27/04/85/345270485.db2.gz OERLDRQITGKPPC-BDAKNGLRSA-N 0 1 183.251 1.336 10 0 ADAEMN O=C([O-])C[N@H+]1C[C@@H]2CCCCC[C@@H]21 306411142 345270490 /nfs/dbraw/zinc/27/04/90/345270490.db2.gz OERLDRQITGKPPC-IUCAKERBSA-N 0 1 183.251 1.336 10 0 ADAEMN O=C([O-])C[N@H+]1C[C@@H]2CCCCC[C@H]21 306411141 345270499 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C[C@H]1C[C@@H]1NCc1c(Cl)cnn1C 306415885 345273712 /nfs/dbraw/zinc/27/37/12/345273712.db2.gz QGGBKRKUTLZHCX-XPUUQOCRSA-N 0 1 199.685 1.572 10 0 ADAEMN C[C@H]1C[C@H]1NCc1c(Cl)cnn1C 306415883 345273807 /nfs/dbraw/zinc/27/38/07/345273807.db2.gz QGGBKRKUTLZHCX-POYBYMJQSA-N 0 1 199.685 1.572 10 0 ADAEMN Nc1ccc(CN2CC=CC2)cn1 306415907 345274071 /nfs/dbraw/zinc/27/40/71/345274071.db2.gz VNTHJSGLVGOVAA-UHFFFAOYSA-N 0 1 175.235 1.036 10 0 ADAEMN C[C@]1([C@H](N)C(F)F)CCCS1 306438818 345299070 /nfs/dbraw/zinc/29/90/70/345299070.db2.gz IULXLZQIUYOHPX-IYSWYEEDSA-N 0 1 181.251 1.865 10 0 ADAEMN CCn1c(-c2cncs2)cnc1N 306417719 345275102 /nfs/dbraw/zinc/27/51/02/345275102.db2.gz SKKWDWBSZGVSKR-UHFFFAOYSA-N 0 1 194.263 1.609 10 0 ADAEMN CC1(C)CCCN1Cc1ncc[nH]1 306418955 345276685 /nfs/dbraw/zinc/27/66/85/345276685.db2.gz WCOWPSHQTBJMLV-UHFFFAOYSA-N 0 1 179.267 1.784 10 0 ADAEMN C[C@]1(CO)CCCN(CCF)C1 306420574 345277910 /nfs/dbraw/zinc/27/79/10/345277910.db2.gz GDIVLMKBSFOOSN-VIFPVBQESA-N 0 1 175.247 1.050 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345295345 /nfs/dbraw/zinc/29/53/45/345295345.db2.gz ALCLCMGZFDUQEL-IUCAKERBSA-N 0 1 179.267 1.701 10 0 ADAEMN N[C@]1(c2ncon2)CCC[C@H]2C[C@H]21 306435522 345295626 /nfs/dbraw/zinc/29/56/26/345295626.db2.gz FPZNRJBXPJCLKV-LKEWCRSYSA-N 0 1 179.223 1.044 10 0 ADAEMN N[C@]1(c2ncon2)CCC[C@@H]2C[C@@H]21 306435520 345295673 /nfs/dbraw/zinc/29/56/73/345295673.db2.gz FPZNRJBXPJCLKV-BKPPORCPSA-N 0 1 179.223 1.044 10 0 ADAEMN C[C@H](C(=O)[O-])[N@H+]1C[C@H]2CCCC[C@@H]21 306435363 345295777 /nfs/dbraw/zinc/29/57/77/345295777.db2.gz CTTUHTJOWCUBOV-HLTSFMKQSA-N 0 1 183.251 1.334 10 0 ADAEMN C[C@H](C(=O)[O-])[N@H+]1C[C@@H]2CCCC[C@H]21 306435367 345295939 /nfs/dbraw/zinc/29/59/39/345295939.db2.gz CTTUHTJOWCUBOV-HRDYMLBCSA-N 0 1 183.251 1.334 10 0 ADAEMN Cn1cnc([C@H]2CCCSC2)c1N 306436008 345296465 /nfs/dbraw/zinc/29/64/65/345296465.db2.gz GBXIFGNNOIZGAC-ZETCQYMHSA-N 0 1 197.307 1.613 10 0 ADAEMN Cn1cnc([C@@H]2CCCSC2)c1N 306436007 345296569 /nfs/dbraw/zinc/29/65/69/345296569.db2.gz 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C[C@H]1CCCCN1Cc1cc[nH]n1 306449903 345310056 /nfs/dbraw/zinc/31/00/56/345310056.db2.gz YOYCJGUXMGMBIV-VIFPVBQESA-N 0 1 179.267 1.784 10 0 ADAEMN C[C@H]1C[C@@H](C)[N@H+]1Cc1cnc(N)s1 306451940 345312101 /nfs/dbraw/zinc/31/21/01/345312101.db2.gz WZIGRZLAWWFIAT-KNVOCYPGSA-N 0 1 197.307 1.708 10 0 ADAEMN C[C@H]1C[C@@H](C)N1Cc1cnc(N)s1 306451940 345312102 /nfs/dbraw/zinc/31/21/02/345312102.db2.gz WZIGRZLAWWFIAT-KNVOCYPGSA-N 0 1 197.307 1.708 10 0 ADAEMN Cc1cc(N)cnc1NCCF 306452054 345312147 /nfs/dbraw/zinc/31/21/47/345312147.db2.gz DOUKHWRPQISUKR-UHFFFAOYSA-N 0 1 169.203 1.354 10 0 ADAEMN C[C@@H]1C[C@@H](C)N1Cc1cnc(N)s1 306451942 345312200 /nfs/dbraw/zinc/31/22/00/345312200.db2.gz WZIGRZLAWWFIAT-RNFRBKRXSA-N 0 1 197.307 1.708 10 0 ADAEMN C[C@H]1C[C@H](C)N1Cc1cnc(N)s1 306451939 345312210 /nfs/dbraw/zinc/31/22/10/345312210.db2.gz WZIGRZLAWWFIAT-BQBZGAKWSA-N 0 1 197.307 1.708 10 0 ADAEMN CCNC(=[NH2+])c1cc([O-])cc(Cl)c1 306452105 345312646 /nfs/dbraw/zinc/31/26/46/345312646.db2.gz FIEFIHUEPFWRKD-UHFFFAOYSA-N 0 1 198.653 1.980 10 0 ADAEMN COc1ccnc(NC2CSC2)c1 306453548 345313717 /nfs/dbraw/zinc/31/37/17/345313717.db2.gz OCKKNKCGECQYLO-UHFFFAOYSA-N 0 1 196.275 1.618 10 0 ADAEMN CNc1cccc(CN2CCC2)n1 306455889 345315664 /nfs/dbraw/zinc/31/56/64/345315664.db2.gz QECMOXUGOUYJEZ-UHFFFAOYSA-N 0 1 177.251 1.329 10 0 ADAEMN Cc1ncc(CNc2c[nH]cn2)[nH]1 306456197 345315999 /nfs/dbraw/zinc/31/59/99/345315999.db2.gz RUNRPMPJGBEATD-UHFFFAOYSA-N 0 1 177.211 1.053 10 0 ADAEMN Nc1ccc(F)cc1CN1CCC1 306456598 345316532 /nfs/dbraw/zinc/31/65/32/345316532.db2.gz USFOORGCRXMULB-UHFFFAOYSA-N 0 1 180.226 1.614 10 0 ADAEMN Cc1nc([C@@](C)(N)C2CCC2)no1 306458137 345317499 /nfs/dbraw/zinc/31/74/99/345317499.db2.gz XUFQGCVMKPTYDR-VIFPVBQESA-N 0 1 181.239 1.352 10 0 ADAEMN Cc1nc([C@](C)(N)C2CCC2)no1 306458136 345317545 /nfs/dbraw/zinc/31/75/45/345317545.db2.gz XUFQGCVMKPTYDR-SECBINFHSA-N 0 1 181.239 1.352 10 0 ADAEMN Cc1cc(CN2C[C@H](C)[C@@H]2C)on1 306459992 345319223 /nfs/dbraw/zinc/31/92/23/345319223.db2.gz FGLDKIXJFBVCCB-CBAPKCEASA-N 0 1 180.251 1.823 10 0 ADAEMN Cc1cc(CN2C[C@@H](C)[C@@H]2C)on1 306459990 345319252 /nfs/dbraw/zinc/31/92/52/345319252.db2.gz FGLDKIXJFBVCCB-APPZFPTMSA-N 0 1 180.251 1.823 10 0 ADAEMN Cc1cc(CN2C[C@H](C)[C@H]2C)on1 306459994 345319427 /nfs/dbraw/zinc/31/94/27/345319427.db2.gz FGLDKIXJFBVCCB-IONNQARKSA-N 0 1 180.251 1.823 10 0 ADAEMN Cc1cc(CN2C[C@@H](C)[C@H]2C)on1 306459996 345319522 /nfs/dbraw/zinc/31/95/22/345319522.db2.gz FGLDKIXJFBVCCB-VXNVDRBHSA-N 0 1 180.251 1.823 10 0 ADAEMN CC[C@@](C)(N)c1nncs1 306461250 345320262 /nfs/dbraw/zinc/32/02/62/345320262.db2.gz FMGAXGLVMOAIEG-ZCFIWIBFSA-N 0 1 157.242 1.122 10 0 ADAEMN Cc1noc(-c2c[nH]nc2C)n1 306461236 345320403 /nfs/dbraw/zinc/32/04/03/345320403.db2.gz FKUUIKCREMLWKR-UHFFFAOYSA-N 0 1 164.168 1.077 10 0 ADAEMN CC[C@](C)(N)c1nncs1 306461249 345320411 /nfs/dbraw/zinc/32/04/11/345320411.db2.gz FMGAXGLVMOAIEG-LURJTMIESA-N 0 1 157.242 1.122 10 0 ADAEMN CC(C)CN1CCO[C@@H]2C[C@@H]21 306461889 345321415 /nfs/dbraw/zinc/32/14/15/345321415.db2.gz GTFDCTQMOYSXKI-DTWKUNHWSA-N 0 1 155.241 1.116 10 0 ADAEMN CC(C)CN1CCO[C@H]2C[C@H]21 306461887 345321469 /nfs/dbraw/zinc/32/14/69/345321469.db2.gz GTFDCTQMOYSXKI-BDAKNGLRSA-N 0 1 155.241 1.116 10 0 ADAEMN Cc1cc(CN2CCC2)cc(N)n1 306462570 345322167 /nfs/dbraw/zinc/32/21/67/345322167.db2.gz ABUYOTMQWRFNCB-UHFFFAOYSA-N 0 1 177.251 1.178 10 0 ADAEMN CC(C)=C(C)c1nc([C@@H](C)N)no1 306462465 345322175 /nfs/dbraw/zinc/32/21/75/345322175.db2.gz HOHJWWXFCHUPAG-SSDOTTSWSA-N 0 1 181.239 1.903 10 0 ADAEMN CC[C@@H](C)c1nnsc1CN 306463175 345323288 /nfs/dbraw/zinc/32/32/88/345323288.db2.gz LCNYDGPKUNSVIP-RXMQYKEDSA-N 0 1 171.269 1.510 10 0 ADAEMN CC[C@H](C)c1nnsc1CN 306463182 345323517 /nfs/dbraw/zinc/32/35/17/345323517.db2.gz LCNYDGPKUNSVIP-YFKPBYRVSA-N 0 1 171.269 1.510 10 0 ADAEMN CO[C@H](C)[C@H](N)c1ccsn1 306465467 345325900 /nfs/dbraw/zinc/32/59/00/345325900.db2.gz JDDYOVIRIBDJTL-VDTYLAMSSA-N 0 1 172.253 1.178 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/nfs/dbraw/zinc/32/73/93/345327393.db2.gz GJJNQOVQTZOKTH-NTSWFWBYSA-N 0 1 181.239 1.372 10 0 ADAEMN C[C@H](O)c1n[nH]c([C@H]2CC2(C)C)n1 306466515 345327395 /nfs/dbraw/zinc/32/73/95/345327395.db2.gz GJJNQOVQTZOKTH-NTSWFWBYSA-N 0 1 181.239 1.372 10 0 ADAEMN C[C@H](O)c1nnc([C@@H]2CC2(C)C)[nH]1 306466521 345327478 /nfs/dbraw/zinc/32/74/78/345327478.db2.gz GJJNQOVQTZOKTH-WDSKDSINSA-N 0 1 181.239 1.372 10 0 ADAEMN C[C@H](O)c1n[nH]c([C@@H]2CC2(C)C)n1 306466521 345327482 /nfs/dbraw/zinc/32/74/82/345327482.db2.gz GJJNQOVQTZOKTH-WDSKDSINSA-N 0 1 181.239 1.372 10 0 ADAEMN CC[N@@H+](C)Cc1cc(C)n[nH]1 306466673 345327521 /nfs/dbraw/zinc/32/75/21/345327521.db2.gz PRFJWOVWEDQIIU-UHFFFAOYSA-N 0 1 153.229 1.170 10 0 ADAEMN CCN(C)Cc1cc(C)n[nH]1 306466673 345327522 /nfs/dbraw/zinc/32/75/22/345327522.db2.gz PRFJWOVWEDQIIU-UHFFFAOYSA-N 0 1 153.229 1.170 10 0 ADAEMN Cc1cc(CN[C@H]2CCC[C@H]2F)[nH]n1 306468833 345330478 /nfs/dbraw/zinc/33/04/78/345330478.db2.gz OGACPBDEHCHVBG-ZJUUUORDSA-N 0 1 197.257 1.698 10 0 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1 194.278 1.553 10 0 ADAEMN Cc1scnc1CNC(C)C 306471602 345335279 /nfs/dbraw/zinc/33/52/79/345335279.db2.gz ZLVOGBBYFCLFQI-UHFFFAOYSA-N 0 1 170.281 1.950 10 0 ADAEMN Cc1ccoc1[C@H](N)C1=COCC1 306476313 345342110 /nfs/dbraw/zinc/34/21/10/345342110.db2.gz JACCIVHVTPSIEU-SECBINFHSA-N 0 1 179.219 1.892 10 0 ADAEMN Cc1ccoc1[C@@H](N)C1=COCC1 306476315 345342383 /nfs/dbraw/zinc/34/23/83/345342383.db2.gz JACCIVHVTPSIEU-VIFPVBQESA-N 0 1 179.219 1.892 10 0 ADAEMN OCc1n[nH]c(CC2CCCCC2)n1 306476498 345342386 /nfs/dbraw/zinc/34/23/86/345342386.db2.gz YDMPHKRTYAOCHF-UHFFFAOYSA-N 0 1 195.266 1.420 10 0 ADAEMN c1c[nH]c(CN2CCC2)c1 306477101 345342870 /nfs/dbraw/zinc/34/28/70/345342870.db2.gz XWJYYOGPUXGACK-UHFFFAOYSA-N 0 1 136.198 1.220 10 0 ADAEMN C[C@H]1CN(CCCF)C[C@@H](C)O1 306478510 345345019 /nfs/dbraw/zinc/34/50/19/345345019.db2.gz CHEWVZWEXLGKPB-DTORHVGOSA-N 0 1 175.247 1.455 10 0 ADAEMN Nc1nc2c(s1)CN(C1CC1)CC2 306478742 345345375 /nfs/dbraw/zinc/34/53/75/345345375.db2.gz LMZUJESUXNEBTJ-UHFFFAOYSA-N 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/nfs/dbraw/zinc/52/55/33/345525533.db2.gz MITLDHROEGKBHG-RXMQYKEDSA-N 0 1 175.182 1.486 10 0 ADAEMN C[N@@H+](/C=C/C(=O)[O-])C(C)(C)C 306663314 345526978 /nfs/dbraw/zinc/52/69/78/345526978.db2.gz QPXHLTRNZAYDGO-AATRIKPKSA-N 0 1 157.213 1.315 10 0 ADAEMN Cc1noc(-c2cnccc2N)n1 306662947 345527021 /nfs/dbraw/zinc/52/70/21/345527021.db2.gz UUYOUOYFRGRZKY-UHFFFAOYSA-N 0 1 176.179 1.022 10 0 ADAEMN CC1(C)C[C@@H](NCc2cc[nH]n2)CO1 306663967 345527757 /nfs/dbraw/zinc/52/77/57/345527757.db2.gz WOSTWEVNXCGSAC-SECBINFHSA-N 0 1 195.266 1.067 10 0 ADAEMN CC1(C)C[C@H](NCc2cc[nH]n2)CO1 306664157 345527850 /nfs/dbraw/zinc/52/78/50/345527850.db2.gz WOSTWEVNXCGSAC-VIFPVBQESA-N 0 1 195.266 1.067 10 0 ADAEMN CC(C)=C[C@@H](N)c1ccc(C)nn1 306664346 345527965 /nfs/dbraw/zinc/52/79/65/345527965.db2.gz WWKMJKDIESBURM-SECBINFHSA-N 0 1 177.251 1.751 10 0 ADAEMN CC(C)=C[C@H](N)c1ccc(C)nn1 306664347 345528291 /nfs/dbraw/zinc/52/82/91/345528291.db2.gz WWKMJKDIESBURM-VIFPVBQESA-N 0 1 177.251 1.751 10 0 ADAEMN 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YTURQKAXGMKWEZ-SSDOTTSWSA-N 0 1 179.223 1.372 10 0 ADAEMN C[C@@H]1CCCC[C@@]1(N)c1ncns1 306671773 345533146 /nfs/dbraw/zinc/53/31/46/345533146.db2.gz ZJLPQQGPMHDEJP-APPZFPTMSA-N 0 1 197.307 1.902 10 0 ADAEMN C[C@H]1CCCC[C@]1(N)c1ncns1 306671775 345533315 /nfs/dbraw/zinc/53/33/15/345533315.db2.gz ZJLPQQGPMHDEJP-IONNQARKSA-N 0 1 197.307 1.902 10 0 ADAEMN CNCc1nc2c(s1)COC2(C)C 306671428 345533335 /nfs/dbraw/zinc/53/33/35/345533335.db2.gz YVEFBCHMTVOBES-UHFFFAOYSA-N 0 1 198.291 1.628 10 0 ADAEMN C[C@H]1CCCC[C@@]1(N)c1ncns1 306671774 345533373 /nfs/dbraw/zinc/53/33/73/345533373.db2.gz ZJLPQQGPMHDEJP-CBAPKCEASA-N 0 1 197.307 1.902 10 0 ADAEMN CC1=NC(=S)N(CCCF)C1 306672805 345534226 /nfs/dbraw/zinc/53/42/26/345534226.db2.gz MLCHOFPQDLQOAO-UHFFFAOYSA-N 0 1 174.244 1.840 10 0 ADAEMN Cc1nc(NCCCF)ccc1N 306674735 345537169 /nfs/dbraw/zinc/53/71/69/345537169.db2.gz QXYZRJYSJPKPPC-UHFFFAOYSA-N 0 1 183.230 1.744 10 0 ADAEMN Cn1ncc([C@@H]2NCC23CCCC3)n1 306675829 345538280 /nfs/dbraw/zinc/53/82/80/345538280.db2.gz UMOQKFZNHGDRIZ-VIFPVBQESA-N 0 1 192.266 1.020 10 0 ADAEMN Cn1ncc([C@H]2NCC23CCCC3)n1 306675828 345538352 /nfs/dbraw/zinc/53/83/52/345538352.db2.gz UMOQKFZNHGDRIZ-SECBINFHSA-N 0 1 192.266 1.020 10 0 ADAEMN CC(C)=Cc1nc([C@H](N)C2CC2)no1 306676651 345538784 /nfs/dbraw/zinc/53/87/84/345538784.db2.gz WSPISKZAKIHSQT-SECBINFHSA-N 0 1 193.250 1.903 10 0 ADAEMN CC(C)=Cc1nc([C@@H](N)C2CC2)no1 306676652 345538874 /nfs/dbraw/zinc/53/88/74/345538874.db2.gz WSPISKZAKIHSQT-VIFPVBQESA-N 0 1 193.250 1.903 10 0 ADAEMN C[C@H]1CC(C)(C)N1Cc1c[nH]cn1 306676815 345539148 /nfs/dbraw/zinc/53/91/48/345539148.db2.gz XDZUKMVEDDUYFA-QMMMGPOBSA-N 0 1 179.267 1.783 10 0 ADAEMN C[C@@H]1CC(C)(C)N1Cc1c[nH]cn1 306676814 345539347 /nfs/dbraw/zinc/53/93/47/345539347.db2.gz XDZUKMVEDDUYFA-MRVPVSSYSA-N 0 1 179.267 1.783 10 0 ADAEMN C/C=C/C[N@H+]1CCO[C@@H](C2CC2)C1 306677364 345539506 /nfs/dbraw/zinc/53/95/06/345539506.db2.gz YQHKQOIEQJLPEM-KXMPLOMGSA-N 0 1 181.279 1.673 10 0 ADAEMN C/C=C/CN1CCO[C@@H](C2CC2)C1 306677364 345539508 /nfs/dbraw/zinc/53/95/08/345539508.db2.gz YQHKQOIEQJLPEM-KXMPLOMGSA-N 0 1 181.279 1.673 10 0 ADAEMN C/C=C/C[N@H+]1CCO[C@H](C2CC2)C1 306677365 345539738 /nfs/dbraw/zinc/53/97/38/345539738.db2.gz YQHKQOIEQJLPEM-VUDBWIFFSA-N 0 1 181.279 1.673 10 0 ADAEMN C/C=C/CN1CCO[C@H](C2CC2)C1 306677365 345539740 /nfs/dbraw/zinc/53/97/40/345539740.db2.gz YQHKQOIEQJLPEM-VUDBWIFFSA-N 0 1 181.279 1.673 10 0 ADAEMN COC[C@@H](N)c1cc(C)ns1 306678531 345540506 /nfs/dbraw/zinc/54/05/06/345540506.db2.gz BKMQMTDVBMTFJC-ZCFIWIBFSA-N 0 1 172.253 1.098 10 0 ADAEMN Cc1ccoc1[C@@H](N)C1(CO)CCC1 306678444 345540565 /nfs/dbraw/zinc/54/05/65/345540565.db2.gz AYHISWJPXZKLOF-SNVBAGLBSA-N 0 1 195.262 1.750 10 0 ADAEMN COC[C@H](N)c1cc(C)ns1 306678530 345540568 /nfs/dbraw/zinc/54/05/68/345540568.db2.gz BKMQMTDVBMTFJC-LURJTMIESA-N 0 1 172.253 1.098 10 0 ADAEMN Cc1nc(C[NH3+])[nH]c1-c1ccsc1 306679393 345541553 /nfs/dbraw/zinc/54/15/53/345541553.db2.gz IDVAGMRTMCLQLR-UHFFFAOYSA-N 0 1 193.275 1.905 10 0 ADAEMN Cc1[nH]c(CN)nc1-c1ccsc1 306679393 345541555 /nfs/dbraw/zinc/54/15/55/345541555.db2.gz IDVAGMRTMCLQLR-UHFFFAOYSA-N 0 1 193.275 1.905 10 0 ADAEMN C/C(C(=O)[O-])=C1\CC[N@H+](C)C[C@H]1C 306679859 345541781 /nfs/dbraw/zinc/54/17/81/345541781.db2.gz JBNAKJNFBPDZMQ-HPWUZBQLSA-N 0 1 183.251 1.359 10 0 ADAEMN C/C(C(=O)[O-])=C1\CC[N@H+](C)C[C@@H]1C 306679860 345541847 /nfs/dbraw/zinc/54/18/47/345541847.db2.gz JBNAKJNFBPDZMQ-RDONPILCSA-N 0 1 183.251 1.359 10 0 ADAEMN Cc1nc(CO)[nH]c1-c1ccsc1 306681269 345543043 /nfs/dbraw/zinc/54/30/43/345543043.db2.gz NOZNJLYONXFFBD-UHFFFAOYSA-N 0 1 194.259 1.939 10 0 ADAEMN CC1(C)OCC[C@H]1NCc1cc[nH]n1 306682234 345543456 /nfs/dbraw/zinc/54/34/56/345543456.db2.gz QNWHJGRTDLCLIB-SECBINFHSA-N 0 1 195.266 1.067 10 0 ADAEMN C[N@@H+]([C@H]1CC[C@H]1C(=O)[O-])C(C)(C)C 306683173 345544509 /nfs/dbraw/zinc/54/45/09/345544509.db2.gz UUWZYXKENPZKCM-SFYZADRCSA-N 0 1 185.267 1.580 10 0 ADAEMN C[N@@H+]([C@H]1CC[C@@H]1C(=O)[O-])C(C)(C)C 306683174 345544641 /nfs/dbraw/zinc/54/46/41/345544641.db2.gz UUWZYXKENPZKCM-YUMQZZPRSA-N 0 1 185.267 1.580 10 0 ADAEMN C[N@@H+]([C@@H]1CC[C@H]1C(=O)[O-])C(C)(C)C 306683171 345544684 /nfs/dbraw/zinc/54/46/84/345544684.db2.gz UUWZYXKENPZKCM-HTQZYQBOSA-N 0 1 185.267 1.580 10 0 ADAEMN CC[C@H]1CO[C@](C)(C(F)(F)F)CN1 306700642 345555261 /nfs/dbraw/zinc/55/52/61/345555261.db2.gz JQKKMFHTGQNBGL-BQBZGAKWSA-N 0 1 197.200 1.706 10 0 ADAEMN CC[C@@H]1CO[C@](C)(C(F)(F)F)CN1 306700645 345555285 /nfs/dbraw/zinc/55/52/85/345555285.db2.gz JQKKMFHTGQNBGL-RQJHMYQMSA-N 0 1 197.200 1.706 10 0 ADAEMN CC[C@H]1CO[C@@](C)(C(F)(F)F)CN1 306700643 345555383 /nfs/dbraw/zinc/55/53/83/345555383.db2.gz JQKKMFHTGQNBGL-NKWVEPMBSA-N 0 1 197.200 1.706 10 0 ADAEMN CC[C@@H]1CO[C@@](C)(C(F)(F)F)CN1 306700644 345555497 /nfs/dbraw/zinc/55/54/97/345555497.db2.gz JQKKMFHTGQNBGL-RNFRBKRXSA-N 0 1 197.200 1.706 10 0 ADAEMN CNc1nc(C)cc(N2CCC2)n1 306701443 345555827 /nfs/dbraw/zinc/55/58/27/345555827.db2.gz KTTIJPOIDKRFIN-UHFFFAOYSA-N 0 1 178.239 1.037 10 0 ADAEMN CN(Cc1cncnc1)C1CC1 306701252 345555877 /nfs/dbraw/zinc/55/58/77/345555877.db2.gz GISRSBWXFHQSMK-UHFFFAOYSA-N 0 1 163.224 1.071 10 0 ADAEMN CCC1=NN([C@@H]2CCOC2)C(=O)C1C 306701712 345556361 /nfs/dbraw/zinc/55/63/61/345556361.db2.gz HCSGHKDMVKWPLQ-MRVPVSSYSA-N 0 1 196.250 1.421 10 0 ADAEMN CCc1[nH]n([C@@H]2CCOC2)c(=O)c1C 306701712 345556363 /nfs/dbraw/zinc/55/63/63/345556363.db2.gz HCSGHKDMVKWPLQ-MRVPVSSYSA-N 0 1 196.250 1.421 10 0 ADAEMN CCC1=NN([C@H]2CCOC2)C(=O)C1C 306701714 345556380 /nfs/dbraw/zinc/55/63/80/345556380.db2.gz HCSGHKDMVKWPLQ-QMMMGPOBSA-N 0 1 196.250 1.421 10 0 ADAEMN CCc1[nH]n([C@H]2CCOC2)c(=O)c1C 306701714 345556382 /nfs/dbraw/zinc/55/63/82/345556382.db2.gz HCSGHKDMVKWPLQ-QMMMGPOBSA-N 0 1 196.250 1.421 10 0 ADAEMN N[C@@H](CC(F)(F)F)c1csnn1 306705291 345559087 /nfs/dbraw/zinc/55/90/87/345559087.db2.gz GNAGVUSGWDEBCC-VKHMYHEASA-N 0 1 197.185 1.490 10 0 ADAEMN Cn1ccnc1-c1cnc(CN)s1 306706837 345560758 /nfs/dbraw/zinc/56/07/58/345560758.db2.gz KVOGTMVTJVWFHS-UHFFFAOYSA-N 0 1 194.263 1.002 10 0 ADAEMN CC(C)NCc1ccsn1 306708075 345561271 /nfs/dbraw/zinc/56/12/71/345561271.db2.gz NPCOHQTUTJKLTD-UHFFFAOYSA-N 0 1 156.254 1.641 10 0 ADAEMN CC(C)(F)c1nnc(CN)n1C1CC1 306709305 345562396 /nfs/dbraw/zinc/56/23/96/345562396.db2.gz PARIDSJMQOVXGY-UHFFFAOYSA-N 0 1 198.245 1.276 10 0 ADAEMN CC[C@](C)(N)C(=O)c1cn(C)nc1C 306709691 345562838 /nfs/dbraw/zinc/56/28/38/345562838.db2.gz QETSKRHYDYWMIV-JTQLQIEISA-N 0 1 195.266 1.039 10 0 ADAEMN CC[C@@](C)(N)C(=O)c1cn(C)nc1C 306709692 345562986 /nfs/dbraw/zinc/56/29/86/345562986.db2.gz QETSKRHYDYWMIV-SNVBAGLBSA-N 0 1 195.266 1.039 10 0 ADAEMN Cc1cc([C@H](N)CN2CCC2)sn1 306713247 345565734 /nfs/dbraw/zinc/56/57/34/345565734.db2.gz VBJDTLOLBWPJCA-MRVPVSSYSA-N 0 1 197.307 1.157 10 0 ADAEMN Cc1cc([C@@H](N)CN2CCC2)sn1 306713248 345565898 /nfs/dbraw/zinc/56/58/98/345565898.db2.gz VBJDTLOLBWPJCA-QMMMGPOBSA-N 0 1 197.307 1.157 10 0 ADAEMN CC1([C@@H]2CN=C(N)O2)CCCCC1 306715610 345568303 /nfs/dbraw/zinc/56/83/03/345568303.db2.gz FIJJHGFGNKCEFS-QMMMGPOBSA-N 0 1 182.267 1.670 10 0 ADAEMN CC1([C@H]2CN=C(N)O2)CCCCC1 306715603 345568463 /nfs/dbraw/zinc/56/84/63/345568463.db2.gz FIJJHGFGNKCEFS-MRVPVSSYSA-N 0 1 182.267 1.670 10 0 ADAEMN CC[N@H+]1CC/C(=C(\C)C(=O)[O-])C1 306719006 345570334 /nfs/dbraw/zinc/57/03/34/345570334.db2.gz JMUVXXPBVPYCAC-FPLPWBNLSA-N 0 1 169.224 1.113 10 0 ADAEMN FC1(F)CC(NCc2cn[nH]c2)C1 306723911 345574530 /nfs/dbraw/zinc/57/45/30/345574530.db2.gz HVDDSZHYLBLCNW-UHFFFAOYSA-N 0 1 187.193 1.297 10 0 ADAEMN O[C@H]1CC[C@H](NCc2cocn2)CC1 306728313 345577991 /nfs/dbraw/zinc/57/79/91/345577991.db2.gz NLXRNPDSOFWUGW-CZMCAQCFSA-N 0 1 196.250 1.068 10 0 ADAEMN Cc1scc(-c2n[nH]c(=O)o2)c1C 306732440 345580666 /nfs/dbraw/zinc/58/06/66/345580666.db2.gz MKYWDCQWAUAVKU-UHFFFAOYSA-N 0 1 196.231 1.708 10 0 ADAEMN O[C@H]1CCCC[C@H]1Sc1cn[nH]n1 306734828 345582243 /nfs/dbraw/zinc/58/22/43/345582243.db2.gz VHTJNXAXJJQVJR-NKWVEPMBSA-N 0 1 199.279 1.200 10 0 ADAEMN O[C@@H]1CCCC[C@@H]1Sc1cn[nH]n1 306734830 345582564 /nfs/dbraw/zinc/58/25/64/345582564.db2.gz VHTJNXAXJJQVJR-RQJHMYQMSA-N 0 1 199.279 1.200 10 0 ADAEMN O[C@H]1CCCC[C@@H]1Sc1cn[nH]n1 306734827 345582573 /nfs/dbraw/zinc/58/25/73/345582573.db2.gz VHTJNXAXJJQVJR-BQBZGAKWSA-N 0 1 199.279 1.200 10 0 ADAEMN S=C1N=C(c2ccncn2)CO1 306736885 345583664 /nfs/dbraw/zinc/58/36/64/345583664.db2.gz QSPZUAIZWTVNTH-UHFFFAOYSA-N 0 1 179.204 1.420 10 0 ADAEMN C[C@@H](N)c1csc(=NN(C)C)[nH]1 306742511 345586841 /nfs/dbraw/zinc/58/68/41/345586841.db2.gz VYBWDUKUADRQKD-RXMQYKEDSA-N 0 1 186.284 1.051 10 0 ADAEMN C[C@H](N)c1csc(=NN(C)C)[nH]1 306742512 345586873 /nfs/dbraw/zinc/58/68/73/345586873.db2.gz VYBWDUKUADRQKD-YFKPBYRVSA-N 0 1 186.284 1.051 10 0 ADAEMN Cc1cc(-c2c[nH]c(CN)n2)cs1 306748322 345589797 /nfs/dbraw/zinc/58/97/97/345589797.db2.gz JOPVUGVQYYSRRH-UHFFFAOYSA-N 0 1 193.275 1.905 10 0 ADAEMN CN(C)C(=[NH2+])c1cc([O-])cc(Cl)c1 306748028 345589831 /nfs/dbraw/zinc/58/98/31/345589831.db2.gz KWQDIAMDSCBZED-UHFFFAOYSA-N 0 1 198.653 1.933 10 0 ADAEMN CC(C)(C)[C@@H]1CN[C@H]1c1csnn1 306748506 345590104 /nfs/dbraw/zinc/59/01/04/345590104.db2.gz LGVVCNZVYHCECD-HTRCEHHLSA-N 0 1 197.307 1.845 10 0 ADAEMN CC(C)(C)[C@@H]1CN[C@@H]1c1csnn1 306748510 345590122 /nfs/dbraw/zinc/59/01/22/345590122.db2.gz LGVVCNZVYHCECD-SVRRBLITSA-N 0 1 197.307 1.845 10 0 ADAEMN CC(C)(C)[C@H]1CN[C@H]1c1csnn1 306748509 345590393 /nfs/dbraw/zinc/59/03/93/345590393.db2.gz LGVVCNZVYHCECD-POYBYMJQSA-N 0 1 197.307 1.845 10 0 ADAEMN CC(C)(C)[C@H]1CN[C@@H]1c1csnn1 306748511 345590408 /nfs/dbraw/zinc/59/04/08/345590408.db2.gz LGVVCNZVYHCECD-XPUUQOCRSA-N 0 1 197.307 1.845 10 0 ADAEMN CC(=O)CN1CCC2(CCC2)CC1 306749351 345590731 /nfs/dbraw/zinc/59/07/31/345590731.db2.gz HTPZEJKHEYNZDV-UHFFFAOYSA-N 0 1 181.279 1.842 10 0 ADAEMN Cc1cc(CN[C@@H]2CC[C@@H]2C)no1 306750414 345591203 /nfs/dbraw/zinc/59/12/03/345591203.db2.gz IXWXVZTVQSLYOV-OIBJUYFYSA-N 0 1 180.251 1.871 10 0 ADAEMN Cc1cc(CN[C@@H]2CC[C@H]2C)no1 306750408 345591218 /nfs/dbraw/zinc/59/12/18/345591218.db2.gz IXWXVZTVQSLYOV-GMSGAONNSA-N 0 1 180.251 1.871 10 0 ADAEMN Cc1cc(CN[C@H]2CC[C@H]2C)no1 306750418 345591260 /nfs/dbraw/zinc/59/12/60/345591260.db2.gz IXWXVZTVQSLYOV-XCBNKYQSSA-N 0 1 180.251 1.871 10 0 ADAEMN CC[C@]1(C)CN[C@@H]1c1csnn1 306751469 345591417 /nfs/dbraw/zinc/59/14/17/345591417.db2.gz HSLXPXRQUOIERW-HTQZYQBOSA-N 0 1 183.280 1.599 10 0 ADAEMN CC[C@@]1(C)CN[C@H]1c1csnn1 306751472 345591462 /nfs/dbraw/zinc/59/14/62/345591462.db2.gz HSLXPXRQUOIERW-YUMQZZPRSA-N 0 1 183.280 1.599 10 0 ADAEMN CC[C@]1(C)CN[C@H]1c1csnn1 306751470 345591756 /nfs/dbraw/zinc/59/17/56/345591756.db2.gz HSLXPXRQUOIERW-JGVFFNPUSA-N 0 1 183.280 1.599 10 0 ADAEMN CC[C@@]1(C)CN[C@@H]1c1csnn1 306751471 345591803 /nfs/dbraw/zinc/59/18/03/345591803.db2.gz HSLXPXRQUOIERW-SFYZADRCSA-N 0 1 183.280 1.599 10 0 ADAEMN Cc1nc([C@@]2(N)CCC2(C)C)no1 306754933 345593020 /nfs/dbraw/zinc/59/30/20/345593020.db2.gz ODIGIESQPJJPIY-VIFPVBQESA-N 0 1 181.239 1.352 10 0 ADAEMN Cc1nc([C@]2(N)CCC2(C)C)no1 306754929 345593106 /nfs/dbraw/zinc/59/31/06/345593106.db2.gz ODIGIESQPJJPIY-SECBINFHSA-N 0 1 181.239 1.352 10 0 ADAEMN CCN[C@H](C)C(C)(F)F 306757123 345594015 /nfs/dbraw/zinc/59/40/15/345594015.db2.gz RIBCUAUIPXOPIX-RXMQYKEDSA-N 0 1 137.173 1.640 10 0 ADAEMN CCN[C@@H](C)C(C)(F)F 306757124 345594180 /nfs/dbraw/zinc/59/41/80/345594180.db2.gz RIBCUAUIPXOPIX-YFKPBYRVSA-N 0 1 137.173 1.640 10 0 ADAEMN N[C@@H](c1cscn1)[C@H]1CCCO1 306758904 345595143 /nfs/dbraw/zinc/59/51/43/345595143.db2.gz USVABHGXCVWXNJ-SFYZADRCSA-N 0 1 184.264 1.322 10 0 ADAEMN N[C@@H](c1cscn1)[C@@H]1CCCO1 306758905 345595207 /nfs/dbraw/zinc/59/52/07/345595207.db2.gz USVABHGXCVWXNJ-YUMQZZPRSA-N 0 1 184.264 1.322 10 0 ADAEMN CC[N@@H+]1CC[C@@]2(C1)NC[C@H](C)S2 306759243 345595266 /nfs/dbraw/zinc/59/52/66/345595266.db2.gz WJCWYPDJBXBUFB-DTWKUNHWSA-N 0 1 186.324 1.133 10 0 ADAEMN CC[N@@H+]1CC[C@@]2(C1)NC[C@@H](C)S2 306759249 345595330 /nfs/dbraw/zinc/59/53/30/345595330.db2.gz WJCWYPDJBXBUFB-RKDXNWHRSA-N 0 1 186.324 1.133 10 0 ADAEMN N[C@H](c1cscn1)[C@H]1CCCO1 306758901 345595342 /nfs/dbraw/zinc/59/53/42/345595342.db2.gz USVABHGXCVWXNJ-HTQZYQBOSA-N 0 1 184.264 1.322 10 0 ADAEMN N[C@H](c1cscn1)[C@@H]1CCCO1 306758903 345595390 /nfs/dbraw/zinc/59/53/90/345595390.db2.gz USVABHGXCVWXNJ-JGVFFNPUSA-N 0 1 184.264 1.322 10 0 ADAEMN CC[N@@H+]1CC[C@]2(C1)NC[C@H](C)S2 306759246 345595542 /nfs/dbraw/zinc/59/55/42/345595542.db2.gz WJCWYPDJBXBUFB-IUCAKERBSA-N 0 1 186.324 1.133 10 0 ADAEMN CC[N@@H+]1CC[C@]2(C1)NC[C@@H](C)S2 306759240 345595555 /nfs/dbraw/zinc/59/55/55/345595555.db2.gz WJCWYPDJBXBUFB-BDAKNGLRSA-N 0 1 186.324 1.133 10 0 ADAEMN CC1=C(C)C[N@H+](/C=C/C(=O)[O-])CC1 306759432 345595846 /nfs/dbraw/zinc/59/58/46/345595846.db2.gz VHFFFPGBOPKTCL-GQCTYLIASA-N 0 1 181.235 1.627 10 0 ADAEMN c1nc(CN2CC[C@H]3C[C@H]32)c[nH]1 306759880 345596033 /nfs/dbraw/zinc/59/60/33/345596033.db2.gz QAKQMHOBIMZGQA-IONNQARKSA-N 0 1 163.224 1.004 10 0 ADAEMN c1nc(C[N@@H+]2CC[C@@H]3C[C@@H]32)c[nH]1 306759864 345596167 /nfs/dbraw/zinc/59/61/67/345596167.db2.gz QAKQMHOBIMZGQA-APPZFPTMSA-N 0 1 163.224 1.004 10 0 ADAEMN c1nc(C[N@H+]2CC[C@@H]3C[C@@H]32)c[nH]1 306759864 345596171 /nfs/dbraw/zinc/59/61/71/345596171.db2.gz QAKQMHOBIMZGQA-APPZFPTMSA-N 0 1 163.224 1.004 10 0 ADAEMN c1nc(CN2CC[C@@H]3C[C@@H]32)c[nH]1 306759864 345596177 /nfs/dbraw/zinc/59/61/77/345596177.db2.gz QAKQMHOBIMZGQA-APPZFPTMSA-N 0 1 163.224 1.004 10 0 ADAEMN Cc1cc(CN2[C@H](C)C[C@H]2C)on1 306760188 345596602 /nfs/dbraw/zinc/59/66/02/345596602.db2.gz QPEKMCXPJPCFMN-RKDXNWHRSA-N 0 1 180.251 1.966 10 0 ADAEMN Cc1cc(CN2[C@@H](C)C[C@@H]2C)on1 306760187 345596725 /nfs/dbraw/zinc/59/67/25/345596725.db2.gz QPEKMCXPJPCFMN-IUCAKERBSA-N 0 1 180.251 1.966 10 0 ADAEMN Cc1cc(CN2[C@@H](C)C[C@H]2C)on1 306760186 345596809 /nfs/dbraw/zinc/59/68/09/345596809.db2.gz QPEKMCXPJPCFMN-DTORHVGOSA-N 0 1 180.251 1.966 10 0 ADAEMN Cc1cccnc1CN1CC(C)C1 306760197 345596867 /nfs/dbraw/zinc/59/68/67/345596867.db2.gz QQZTWHNCKSJUEG-UHFFFAOYSA-N 0 1 176.263 1.842 10 0 ADAEMN C=Cc1cnc(CNC)s1 306762239 345597888 /nfs/dbraw/zinc/59/78/88/345597888.db2.gz DOBYMBWKMCRHSJ-UHFFFAOYSA-N 0 1 154.238 1.506 10 0 ADAEMN Cc1ccnc(Sc2c[nH]nn2)n1 306763370 345599232 /nfs/dbraw/zinc/59/92/32/345599232.db2.gz GCEWULQVSGEYIG-UHFFFAOYSA-N 0 1 193.235 1.054 10 0 ADAEMN CC(C)[C@H](C)C(=O)Nc1c[nH]nn1 306766671 345601082 /nfs/dbraw/zinc/60/10/82/345601082.db2.gz XASWCZFOPSNGOE-LURJTMIESA-N 0 1 182.227 1.035 10 0 ADAEMN CC(C)[C@@H](C)C(=O)Nc1c[nH]nn1 306766674 345601407 /nfs/dbraw/zinc/60/14/07/345601407.db2.gz XASWCZFOPSNGOE-ZCFIWIBFSA-N 0 1 182.227 1.035 10 0 ADAEMN CC1CN(Cc2ccc(CO)o2)C1 306767519 345601908 /nfs/dbraw/zinc/60/19/08/345601908.db2.gz XYGZGULZTACSSQ-UHFFFAOYSA-N 0 1 181.235 1.224 10 0 ADAEMN COC1(C)CN([C@@H]2CCCC[C@@H]2O)C1 306768160 345602191 /nfs/dbraw/zinc/60/21/91/345602191.db2.gz PNFNGDOBWCBQGP-ZJUUUORDSA-N 0 1 199.294 1.011 10 0 ADAEMN COC1(C)CN([C@H]2CCCC[C@@H]2O)C1 306768158 345602296 /nfs/dbraw/zinc/60/22/96/345602296.db2.gz PNFNGDOBWCBQGP-UWVGGRQHSA-N 0 1 199.294 1.011 10 0 ADAEMN COC1(C)CN([C@H]2CCCC[C@H]2O)C1 306768159 345602327 /nfs/dbraw/zinc/60/23/27/345602327.db2.gz PNFNGDOBWCBQGP-VHSXEESVSA-N 0 1 199.294 1.011 10 0 ADAEMN COC1(C)CN([C@@H]2CCCC[C@H]2O)C1 306768157 345602438 /nfs/dbraw/zinc/60/24/38/345602438.db2.gz PNFNGDOBWCBQGP-NXEZZACHSA-N 0 1 199.294 1.011 10 0 ADAEMN C/C=C/CNc1ncc(C)cc1N 306770318 345604238 /nfs/dbraw/zinc/60/42/38/345604238.db2.gz AUHWFPCYQDIBDI-ONEGZZNKSA-N 0 1 177.251 1.960 10 0 ADAEMN CC[C@@H](N)c1noc(C2(C)CCC2)n1 306771899 345604771 /nfs/dbraw/zinc/60/47/71/345604771.db2.gz CTPDCQGODOLJOD-SSDOTTSWSA-N 0 1 195.266 1.921 10 0 ADAEMN CC[C@H](N)c1noc(C2(C)CCC2)n1 306771900 345604868 /nfs/dbraw/zinc/60/48/68/345604868.db2.gz CTPDCQGODOLJOD-ZETCQYMHSA-N 0 1 195.266 1.921 10 0 ADAEMN Cn1c(-c2nccs2)cnc1N 306772306 345605258 /nfs/dbraw/zinc/60/52/58/345605258.db2.gz DEJHIVQIRYMGGD-UHFFFAOYSA-N 0 1 180.236 1.126 10 0 ADAEMN NC1=NC[C@@]2(CCCC23CCC3)O1 306774979 345606113 /nfs/dbraw/zinc/60/61/13/345606113.db2.gz WIRGELUDOXQKFI-SNVBAGLBSA-N 0 1 180.251 1.424 10 0 ADAEMN NC1=NC[C@]2(CCCC23CCC3)O1 306774978 345606205 /nfs/dbraw/zinc/60/62/05/345606205.db2.gz WIRGELUDOXQKFI-JTQLQIEISA-N 0 1 180.251 1.424 10 0 ADAEMN Cc1nc([C@@]2(N)CCCOC2)cs1 306775295 345606868 /nfs/dbraw/zinc/60/68/68/345606868.db2.gz WQGXWPLRAKODQN-SECBINFHSA-N 0 1 198.291 1.416 10 0 ADAEMN Cc1nc([C@]2(N)CCCOC2)cs1 306775296 345606945 /nfs/dbraw/zinc/60/69/45/345606945.db2.gz WQGXWPLRAKODQN-VIFPVBQESA-N 0 1 198.291 1.416 10 0 ADAEMN FC(F)CN[C@H]1CC[C@@H]2C[C@H]12 306776225 345607472 /nfs/dbraw/zinc/60/74/72/345607472.db2.gz YGUHZFHVHUFWHZ-VQVTYTSYSA-N 0 1 161.195 1.640 10 0 ADAEMN C[C@@H]1C[N@H+](Cc2c[nH]cn2)[C@@H]1C 306779935 345608754 /nfs/dbraw/zinc/60/87/54/345608754.db2.gz IFIAVFCVGUBYMA-HTQZYQBOSA-N 0 1 165.240 1.250 10 0 ADAEMN C[C@H]1[C@H](C)C[N@@H+]1Cc1c[nH]cn1 306779941 345608790 /nfs/dbraw/zinc/60/87/90/345608790.db2.gz IFIAVFCVGUBYMA-SFYZADRCSA-N 0 1 165.240 1.250 10 0 ADAEMN C[C@H]1C[N@H+](Cc2c[nH]cn2)[C@H]1C 306779945 345608824 /nfs/dbraw/zinc/60/88/24/345608824.db2.gz IFIAVFCVGUBYMA-YUMQZZPRSA-N 0 1 165.240 1.250 10 0 ADAEMN C[C@H]1C[N@H+](Cc2c[nH]cn2)[C@@H]1C 306779937 345609261 /nfs/dbraw/zinc/60/92/61/345609261.db2.gz IFIAVFCVGUBYMA-JGVFFNPUSA-N 0 1 165.240 1.250 10 0 ADAEMN Cc1ccc([C@@H](N)C2=COCC2)o1 306780800 345609543 /nfs/dbraw/zinc/60/95/43/345609543.db2.gz DJJZCIOFGNPTOX-JTQLQIEISA-N 0 1 179.219 1.892 10 0 ADAEMN Cc1ccc([C@H](N)C2=COCC2)o1 306780804 345609814 /nfs/dbraw/zinc/60/98/14/345609814.db2.gz DJJZCIOFGNPTOX-SNVBAGLBSA-N 0 1 179.219 1.892 10 0 ADAEMN CC[C@@H]1CSC2(CSC2)N1 306783192 345611335 /nfs/dbraw/zinc/61/13/35/345611335.db2.gz GEVGJNPEHLZDIP-ZCFIWIBFSA-N 0 1 175.322 1.545 10 0 ADAEMN CC[C@H]1CSC2(CSC2)N1 306783190 345611399 /nfs/dbraw/zinc/61/13/99/345611399.db2.gz GEVGJNPEHLZDIP-LURJTMIESA-N 0 1 175.322 1.545 10 0 ADAEMN Oc1cnc(F)cc1C(F)(F)F 306785555 345613305 /nfs/dbraw/zinc/61/33/05/345613305.db2.gz NUJRTXXRFSEEOW-UHFFFAOYSA-N 0 1 181.088 1.945 10 0 ADAEMN CC1=CCC[N@H+](/C=C/C(=O)[O-])C1 306787190 345614362 /nfs/dbraw/zinc/61/43/62/345614362.db2.gz QFVWKWVKYZXXAZ-GQCTYLIASA-N 0 1 167.208 1.237 10 0 ADAEMN NCc1ocnc1C1CC1 306788842 345615876 /nfs/dbraw/zinc/61/58/76/345615876.db2.gz XKHXIOGMJARBSB-UHFFFAOYSA-N 0 1 138.170 1.011 10 0 ADAEMN CCOC1CN([C@H]2CCCC[C@@H]2O)C1 306790877 345616800 /nfs/dbraw/zinc/61/68/00/345616800.db2.gz WJLOIENGFGHNOK-QWRGUYRKSA-N 0 1 199.294 1.011 10 0 ADAEMN CCOC1CN([C@H]2CCCC[C@H]2O)C1 306790880 345616900 /nfs/dbraw/zinc/61/69/00/345616900.db2.gz WJLOIENGFGHNOK-WDEREUQCSA-N 0 1 199.294 1.011 10 0 ADAEMN CCOC1CN([C@@H]2CCCC[C@H]2O)C1 306790872 345616947 /nfs/dbraw/zinc/61/69/47/345616947.db2.gz WJLOIENGFGHNOK-GHMZBOCLSA-N 0 1 199.294 1.011 10 0 ADAEMN CCOC1CN([C@@H]2CCCC[C@@H]2O)C1 306790875 345616949 /nfs/dbraw/zinc/61/69/49/345616949.db2.gz WJLOIENGFGHNOK-MNOVXSKESA-N 0 1 199.294 1.011 10 0 ADAEMN CC1(C)CC([N@H+]2CCC[C@H]2C(=O)[O-])C1 306791188 345616975 /nfs/dbraw/zinc/61/69/75/345616975.db2.gz WPBKANKDHUTUNF-VIFPVBQESA-N 0 1 197.278 1.724 10 0 ADAEMN CO[C@@H](C)c1nc(C)n(C)c1N 306791520 345617292 /nfs/dbraw/zinc/61/72/92/345617292.db2.gz XYMPONCOKXCXIH-YFKPBYRVSA-N 0 1 169.228 1.018 10 0 ADAEMN CO[C@H](C)c1nc(C)n(C)c1N 306791519 345617494 /nfs/dbraw/zinc/61/74/94/345617494.db2.gz XYMPONCOKXCXIH-RXMQYKEDSA-N 0 1 169.228 1.018 10 0 ADAEMN O=C1CCCCC[C@H]1N1CCC1 306793066 345619081 /nfs/dbraw/zinc/61/90/81/345619081.db2.gz GOKYMRIRJHHZIK-SECBINFHSA-N 0 1 167.252 1.594 10 0 ADAEMN O=C1CCCCC[C@@H]1N1CCC1 306793069 345619248 /nfs/dbraw/zinc/61/92/48/345619248.db2.gz GOKYMRIRJHHZIK-VIFPVBQESA-N 0 1 167.252 1.594 10 0 ADAEMN NCC(=O)[C@H]1CCCCC1(F)F 306794261 345619779 /nfs/dbraw/zinc/61/97/79/345619779.db2.gz SKLVVYDUJCGVRO-ZCFIWIBFSA-N 0 1 177.194 1.340 10 0 ADAEMN NCC(=O)[C@@H]1CCCCC1(F)F 306794260 345619889 /nfs/dbraw/zinc/61/98/89/345619889.db2.gz SKLVVYDUJCGVRO-LURJTMIESA-N 0 1 177.194 1.340 10 0 ADAEMN CCn1c(-c2ccco2)cnc1N 306795405 345620193 /nfs/dbraw/zinc/62/01/93/345620193.db2.gz GLBRAVKYGIXAGD-UHFFFAOYSA-N 0 1 177.207 1.745 10 0 ADAEMN Cc1ccnc(NCCF)c1 306796959 345621047 /nfs/dbraw/zinc/62/10/47/345621047.db2.gz XKICBXZSJYOPIU-UHFFFAOYSA-N 0 1 154.188 1.771 10 0 ADAEMN NC1(C(=O)c2ccns2)CCC1 306798474 345622092 /nfs/dbraw/zinc/62/20/92/345622092.db2.gz LXSCWRLDUYMGMU-UHFFFAOYSA-N 0 1 182.248 1.207 10 0 ADAEMN CC1(C)C[C@@H]1[C@](C)(N)c1ncon1 306801900 345623764 /nfs/dbraw/zinc/62/37/64/345623764.db2.gz SEJHIWBPVCRUGC-RCOVLWMOSA-N 0 1 181.239 1.290 10 0 ADAEMN Cc1nnc([C@]2(N)CCC[C@H]2C)s1 306801540 345623772 /nfs/dbraw/zinc/62/37/72/345623772.db2.gz RENPEOOHZVJWQF-MUWHJKNJSA-N 0 1 197.307 1.821 10 0 ADAEMN Cc1nnc([C@]2(N)CCC[C@@H]2C)s1 306801541 345623793 /nfs/dbraw/zinc/62/37/93/345623793.db2.gz RENPEOOHZVJWQF-RCOVLWMOSA-N 0 1 197.307 1.821 10 0 ADAEMN CC1(C)C[C@@H]1[C@@](C)(N)c1ncon1 306801898 345623859 /nfs/dbraw/zinc/62/38/59/345623859.db2.gz SEJHIWBPVCRUGC-IMTBSYHQSA-N 0 1 181.239 1.290 10 0 ADAEMN CC1(C)C[C@H]1[C@](C)(N)c1ncon1 306801899 345623863 /nfs/dbraw/zinc/62/38/63/345623863.db2.gz SEJHIWBPVCRUGC-MUWHJKNJSA-N 0 1 181.239 1.290 10 0 ADAEMN CC1(C)C[C@H]1[C@@](C)(N)c1ncon1 306801897 345623989 /nfs/dbraw/zinc/62/39/89/345623989.db2.gz SEJHIWBPVCRUGC-HZGVNTEJSA-N 0 1 181.239 1.290 10 0 ADAEMN Cc1nnc([C@@]2(N)CCC[C@H]2C)s1 306801538 345624073 /nfs/dbraw/zinc/62/40/73/345624073.db2.gz RENPEOOHZVJWQF-HZGVNTEJSA-N 0 1 197.307 1.821 10 0 ADAEMN Cc1nnc([C@@]2(N)CCC[C@@H]2C)s1 306801539 345624091 /nfs/dbraw/zinc/62/40/91/345624091.db2.gz RENPEOOHZVJWQF-IMTBSYHQSA-N 0 1 197.307 1.821 10 0 ADAEMN CC(C)(C)[C@@H](N)c1ccc(CO)o1 306801517 345624107 /nfs/dbraw/zinc/62/41/07/345624107.db2.gz RDVWKYBFUKQDIE-VIFPVBQESA-N 0 1 183.251 1.818 10 0 ADAEMN CC(C)(C)[C@H](N)c1ccc(CO)o1 306801516 345624140 /nfs/dbraw/zinc/62/41/40/345624140.db2.gz RDVWKYBFUKQDIE-SECBINFHSA-N 0 1 183.251 1.818 10 0 ADAEMN 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VINZGTAJUYIHNY-UHFFFAOYSA-N 0 1 189.005 1.611 10 0 ADAEMN CC[C@H]1CCN1Cc1ccnn1C 307075715 345795819 /nfs/dbraw/zinc/79/58/19/345795819.db2.gz FHEJXQXIDVNEEJ-VIFPVBQESA-N 0 1 179.267 1.404 10 0 ADAEMN CC[C@@H]1CCN1Cc1ccnn1C 307075713 345795857 /nfs/dbraw/zinc/79/58/57/345795857.db2.gz FHEJXQXIDVNEEJ-SECBINFHSA-N 0 1 179.267 1.404 10 0 ADAEMN CC[C@@H]1CCc2cnc(=NN)[nH]c21 307077002 345796264 /nfs/dbraw/zinc/79/62/64/345796264.db2.gz OZUFEGHVUWAGCD-ZCFIWIBFSA-N 0 1 178.239 1.202 10 0 ADAEMN CC[C@H]1CCc2cnc(=NN)[nH]c21 307077001 345796798 /nfs/dbraw/zinc/79/67/98/345796798.db2.gz OZUFEGHVUWAGCD-LURJTMIESA-N 0 1 178.239 1.202 10 0 ADAEMN CN[C@@H](C(C)C)C(C)(F)F 307085916 345801635 /nfs/dbraw/zinc/80/16/35/345801635.db2.gz YCEPSDLRFSMBFP-LURJTMIESA-N 0 1 151.200 1.886 10 0 ADAEMN CC[C@H]1CCN1Cc1ccno1 307087160 345802248 /nfs/dbraw/zinc/80/22/48/345802248.db2.gz ZTTVAKRRMVEAQK-QMMMGPOBSA-N 0 1 166.224 1.659 10 0 ADAEMN CC1=NC(=S)N(Cc2cocn2)C1 307086885 345802322 /nfs/dbraw/zinc/80/23/22/345802322.db2.gz KWALGUGURCJIAX-UHFFFAOYSA-N 0 1 195.247 1.517 10 0 ADAEMN O=C([O-])/C=C/[N@H+]1CCC2(CC2)C1 307087815 345802894 /nfs/dbraw/zinc/80/28/94/345802894.db2.gz LQJIYWZZPBFNJU-ORCRQEGFSA-N 0 1 167.208 1.071 10 0 ADAEMN CC1(c2noc([C@H]3CCN3)n2)CC1 307089056 345803578 /nfs/dbraw/zinc/80/35/78/345803578.db2.gz UPHLXKBNWCHAHC-ZCFIWIBFSA-N 0 1 179.223 1.156 10 0 ADAEMN CC1(c2noc([C@@H]3CCN3)n2)CC1 307089055 345803691 /nfs/dbraw/zinc/80/36/91/345803691.db2.gz UPHLXKBNWCHAHC-LURJTMIESA-N 0 1 179.223 1.156 10 0 ADAEMN CC1=CC[N@H+](/C=C/C(=O)[O-])CC1 307089952 345804017 /nfs/dbraw/zinc/80/40/17/345804017.db2.gz VQVAGCSPZMFHPS-QPJJXVBHSA-N 0 1 167.208 1.237 10 0 ADAEMN C[C@@H](NC1=NCCCS1)C(F)F 307093871 345806578 /nfs/dbraw/zinc/80/65/78/345806578.db2.gz BOEIWGLIBGCDQH-RXMQYKEDSA-N 0 1 194.250 1.723 10 0 ADAEMN C[C@H](NC1=NCCCS1)C(F)F 307093872 345806660 /nfs/dbraw/zinc/80/66/60/345806660.db2.gz BOEIWGLIBGCDQH-YFKPBYRVSA-N 0 1 194.250 1.723 10 0 ADAEMN Cc1ccnc(N2CCC2)c1N 307099205 345809028 /nfs/dbraw/zinc/80/90/28/345809028.db2.gz ROEPVHOTUNPVKJ-UHFFFAOYSA-N 0 1 163.224 1.182 10 0 ADAEMN Cc1c[nH]nc1CN1CCC1(C)C 307100060 345809874 /nfs/dbraw/zinc/80/98/74/345809874.db2.gz SPXLYKGRZWDBOR-UHFFFAOYSA-N 0 1 179.267 1.702 10 0 ADAEMN CC(C)CSc1nccc(N)c1N 307102539 345810846 /nfs/dbraw/zinc/81/08/46/345810846.db2.gz ZSTWTBDFTDIDTN-UHFFFAOYSA-N 0 1 197.307 1.994 10 0 ADAEMN Cc1nc(-c2cnc(N)n2C)cs1 307102122 345811046 /nfs/dbraw/zinc/81/10/46/345811046.db2.gz VRFNKFWMSJCUJD-UHFFFAOYSA-N 0 1 194.263 1.434 10 0 ADAEMN O=C(c1ccsn1)[C@@H]1CCCCN1 307103065 345811314 /nfs/dbraw/zinc/81/13/14/345811314.db2.gz CWECOYXAUILDEF-ZETCQYMHSA-N 0 1 196.275 1.468 10 0 ADAEMN O=C(c1ccsn1)[C@H]1CCCCN1 307103063 345811336 /nfs/dbraw/zinc/81/13/36/345811336.db2.gz CWECOYXAUILDEF-SSDOTTSWSA-N 0 1 196.275 1.468 10 0 ADAEMN Oc1cncc(C(F)(F)F)c1F 307106455 345813038 /nfs/dbraw/zinc/81/30/38/345813038.db2.gz JTCHOFKNMUFHIW-UHFFFAOYSA-N 0 1 181.088 1.945 10 0 ADAEMN C[C@H](N)c1noc(C2(C)CCC2)n1 307108390 345814157 /nfs/dbraw/zinc/81/41/57/345814157.db2.gz JZNAOQMNYVURBR-LURJTMIESA-N 0 1 181.239 1.531 10 0 ADAEMN C[C@@H](N)c1noc(C2(C)CCC2)n1 307108394 345814369 /nfs/dbraw/zinc/81/43/69/345814369.db2.gz JZNAOQMNYVURBR-ZCFIWIBFSA-N 0 1 181.239 1.531 10 0 ADAEMN C[C@@H]1C[N@@H+](C)CC/C1=C(\F)C(=O)[O-] 307108908 345814918 /nfs/dbraw/zinc/81/49/18/345814918.db2.gz KDBVLLRNOZOTNW-UCTBAKFRSA-N 0 1 187.214 1.266 10 0 ADAEMN C[C@H]1C[N@@H+](C)CC/C1=C(\F)C(=O)[O-] 307108898 345815055 /nfs/dbraw/zinc/81/50/55/345815055.db2.gz KDBVLLRNOZOTNW-KRHCVIHDSA-N 0 1 187.214 1.266 10 0 ADAEMN Cc1c(CN)noc1C1CCC1 307112424 345816138 /nfs/dbraw/zinc/81/61/38/345816138.db2.gz PQBSVRWFQJSBRS-UHFFFAOYSA-N 0 1 166.224 1.709 10 0 ADAEMN COc1cc(F)c(O)c(F)c1F 307113973 345817503 /nfs/dbraw/zinc/81/75/03/345817503.db2.gz RPMGBCXNEXXCRK-UHFFFAOYSA-N 0 1 178.109 1.818 10 0 ADAEMN Cc1c(CN)noc1C(C)(C)C 307116109 345818441 /nfs/dbraw/zinc/81/84/41/345818441.db2.gz XSBKODYXIZSZGX-UHFFFAOYSA-N 0 1 168.240 1.739 10 0 ADAEMN CNc1nc(-c2nc(C)n[nH]2)cs1 307115798 345818713 /nfs/dbraw/zinc/81/87/13/345818713.db2.gz ODZXAWKMJLUCAX-UHFFFAOYSA-N 0 1 195.251 1.278 10 0 ADAEMN CNc1nc(-c2n[nH]c(C)n2)cs1 307115798 345818716 /nfs/dbraw/zinc/81/87/16/345818716.db2.gz ODZXAWKMJLUCAX-UHFFFAOYSA-N 0 1 195.251 1.278 10 0 ADAEMN Cc1nc([C@@]2(C)C[C@@H]2F)oc1CN 307123251 345822570 /nfs/dbraw/zinc/82/25/70/345822570.db2.gz NXGVDDFSNQWIFM-CBAPKCEASA-N 0 1 184.214 1.441 10 0 ADAEMN Cc1nc([C@]2(C)C[C@@H]2F)oc1CN 307123252 345822804 /nfs/dbraw/zinc/82/28/04/345822804.db2.gz NXGVDDFSNQWIFM-IONNQARKSA-N 0 1 184.214 1.441 10 0 ADAEMN Cc1nc([C@@]2(C)C[C@H]2F)oc1CN 307123250 345822889 /nfs/dbraw/zinc/82/28/89/345822889.db2.gz NXGVDDFSNQWIFM-APPZFPTMSA-N 0 1 184.214 1.441 10 0 ADAEMN Cc1nc([C@]2(C)C[C@H]2F)oc1CN 307123284 345823029 /nfs/dbraw/zinc/82/30/29/345823029.db2.gz NXGVDDFSNQWIFM-VXNVDRBHSA-N 0 1 184.214 1.441 10 0 ADAEMN C[C@@H](C(=O)[O-])[N@H+]1[C@H](C)CC1(C)C 307125973 345823967 /nfs/dbraw/zinc/82/39/67/345823967.db2.gz IHDNPEZBBGXNBV-RQJHMYQMSA-N 0 1 171.240 1.332 10 0 ADAEMN C[C@@H]1CC(C)(C)[N@H+]1[C@H](C)C(=O)[O-] 307125964 345823946 /nfs/dbraw/zinc/82/39/46/345823946.db2.gz IHDNPEZBBGXNBV-RNFRBKRXSA-N 0 1 171.240 1.332 10 0 ADAEMN C[C@H]1CC(C)(C)[N@H+]1[C@H](C)C(=O)[O-] 307125958 345824022 /nfs/dbraw/zinc/82/40/22/345824022.db2.gz IHDNPEZBBGXNBV-NKWVEPMBSA-N 0 1 171.240 1.332 10 0 ADAEMN C[C@H]1CC(C)(C)[N@H+]1[C@@H](C)C(=O)[O-] 307125954 345824249 /nfs/dbraw/zinc/82/42/49/345824249.db2.gz IHDNPEZBBGXNBV-BQBZGAKWSA-N 0 1 171.240 1.332 10 0 ADAEMN C[C@@H]1CCC[C@](N)(c2ncns2)C1 307126707 345824699 /nfs/dbraw/zinc/82/46/99/345824699.db2.gz VBACMNFLHGFRGR-VXNVDRBHSA-N 0 1 197.307 1.902 10 0 ADAEMN C[C@@H]1CCC[C@@](N)(c2ncns2)C1 307126700 345824786 /nfs/dbraw/zinc/82/47/86/345824786.db2.gz VBACMNFLHGFRGR-APPZFPTMSA-N 0 1 197.307 1.902 10 0 ADAEMN C[C@H]1CCC[C@@](N)(c2ncns2)C1 307126702 345824799 /nfs/dbraw/zinc/82/47/99/345824799.db2.gz VBACMNFLHGFRGR-CBAPKCEASA-N 0 1 197.307 1.902 10 0 ADAEMN C[C@H]1CCC[C@](N)(c2ncns2)C1 307126704 345825031 /nfs/dbraw/zinc/82/50/31/345825031.db2.gz VBACMNFLHGFRGR-IONNQARKSA-N 0 1 197.307 1.902 10 0 ADAEMN Cc1nc([C@H](N)C2=COCC2)cs1 307128684 345826061 /nfs/dbraw/zinc/82/60/61/345826061.db2.gz XKCJZDCSRKCUQQ-SECBINFHSA-N 0 1 196.275 1.756 10 0 ADAEMN CCc1nsc(C2(N)CCCC2)n1 307129633 345826842 /nfs/dbraw/zinc/82/68/42/345826842.db2.gz DZEMUSHXAHFIPC-UHFFFAOYSA-N 0 1 197.307 1.829 10 0 ADAEMN Cc1cc(F)c(C2(O)CNC2)c(F)c1 307130259 345827284 /nfs/dbraw/zinc/82/72/84/345827284.db2.gz YORGECRURHMDEO-UHFFFAOYSA-N 0 1 199.200 1.064 10 0 ADAEMN Nc1cncc(Cl)c1NCCF 307130053 345827400 /nfs/dbraw/zinc/82/74/00/345827400.db2.gz KLTLLSMQUDEDAS-UHFFFAOYSA-N 0 1 189.621 1.699 10 0 ADAEMN Nc1cc2cn[nH]c2cc1N1CCC1 307131120 345827722 /nfs/dbraw/zinc/82/77/22/345827722.db2.gz KWNKJYOFEBZEQV-UHFFFAOYSA-N 0 1 188.234 1.355 10 0 ADAEMN C[C@H]1CCCc2cnc(=NN)[nH]c21 307131104 345827898 /nfs/dbraw/zinc/82/78/98/345827898.db2.gz SXWXRGMNKBSABV-LURJTMIESA-N 0 1 178.239 1.202 10 0 ADAEMN C[C@@H]1CCCc2cnc(=NN)[nH]c21 307131105 345828029 /nfs/dbraw/zinc/82/80/29/345828029.db2.gz SXWXRGMNKBSABV-ZCFIWIBFSA-N 0 1 178.239 1.202 10 0 ADAEMN Cc1cc(CC(=O)[C@@H](C)N)cs1 307139197 345833113 /nfs/dbraw/zinc/83/31/13/345833113.db2.gz CJVLTEOMEBNZAK-SSDOTTSWSA-N 0 1 183.276 1.515 10 0 ADAEMN Cc1cc(CC(=O)[C@H](C)N)cs1 307139201 345833404 /nfs/dbraw/zinc/83/34/04/345833404.db2.gz CJVLTEOMEBNZAK-ZETCQYMHSA-N 0 1 183.276 1.515 10 0 ADAEMN C1=C[C@@H](c2cscn2)NC1 307145025 345838121 /nfs/dbraw/zinc/83/81/21/345838121.db2.gz AOIMUATXPUEPAI-LURJTMIESA-N 0 1 152.222 1.344 10 0 ADAEMN Cc1cnc(CN[C@H]2C[C@H]2C)s1 307145118 345838151 /nfs/dbraw/zinc/83/81/51/345838151.db2.gz ISBGBTUOHXWWNM-SVRRBLITSA-N 0 1 182.292 1.950 10 0 ADAEMN C1=C[C@H](c2cscn2)NC1 307145026 345838218 /nfs/dbraw/zinc/83/82/18/345838218.db2.gz AOIMUATXPUEPAI-ZCFIWIBFSA-N 0 1 152.222 1.344 10 0 ADAEMN Cc1cnc(CN[C@H]2C[C@@H]2C)s1 307145119 345838261 /nfs/dbraw/zinc/83/82/61/345838261.db2.gz ISBGBTUOHXWWNM-XPUUQOCRSA-N 0 1 182.292 1.950 10 0 ADAEMN Cc1cnc(CN[C@@H]2C[C@@H]2C)s1 307145117 345838309 /nfs/dbraw/zinc/83/83/09/345838309.db2.gz ISBGBTUOHXWWNM-POYBYMJQSA-N 0 1 182.292 1.950 10 0 ADAEMN Cc1cnc(CN[C@@H]2C[C@H]2C)s1 307145116 345838322 /nfs/dbraw/zinc/83/83/22/345838322.db2.gz ISBGBTUOHXWWNM-HTRCEHHLSA-N 0 1 182.292 1.950 10 0 ADAEMN CC1CCC(CN2CC(O)C2)CC1 307146560 345839270 /nfs/dbraw/zinc/83/92/70/345839270.db2.gz HFLPKBRBADTGNR-UHFFFAOYSA-N 0 1 183.295 1.489 10 0 ADAEMN C1CC1c1noc([C@@H]2C[C@@H]3C[C@@H]3N2)n1 307147892 345840733 /nfs/dbraw/zinc/84/07/33/345840733.db2.gz IIFBWHGPNLIAJZ-FXQIFTODSA-N 0 1 191.234 1.370 10 0 ADAEMN COC(C)(C)[C@@H]1NCC[C@@H](C)S1 307151322 345843343 /nfs/dbraw/zinc/84/33/43/345843343.db2.gz CWPBLOGETHAEHA-HTQZYQBOSA-N 0 1 189.324 1.853 10 0 ADAEMN COC(C)(C)[C@H]1NCC[C@H](C)S1 307151325 345843376 /nfs/dbraw/zinc/84/33/76/345843376.db2.gz CWPBLOGETHAEHA-YUMQZZPRSA-N 0 1 189.324 1.853 10 0 ADAEMN Cc1cc([C@@H]2COC(=N)N2)cs1 307151205 345843429 /nfs/dbraw/zinc/84/34/29/345843429.db2.gz VLTNHHFYDWSNLJ-ZETCQYMHSA-N 0 1 182.248 1.443 10 0 ADAEMN Cc1cc([C@H]2COC(=N)N2)cs1 307151204 345843460 /nfs/dbraw/zinc/84/34/60/345843460.db2.gz VLTNHHFYDWSNLJ-SSDOTTSWSA-N 0 1 182.248 1.443 10 0 ADAEMN COC(C)(C)[C@@H]1NCC[C@H](C)S1 307151323 345843467 /nfs/dbraw/zinc/84/34/67/345843467.db2.gz CWPBLOGETHAEHA-JGVFFNPUSA-N 0 1 189.324 1.853 10 0 ADAEMN COC(C)(C)[C@H]1NCC[C@@H](C)S1 307151324 345843653 /nfs/dbraw/zinc/84/36/53/345843653.db2.gz CWPBLOGETHAEHA-SFYZADRCSA-N 0 1 189.324 1.853 10 0 ADAEMN C/C=C/CNc1nccc(C)c1N 307152313 345845053 /nfs/dbraw/zinc/84/50/53/345845053.db2.gz XTFWRNXFCJRQBK-ONEGZZNKSA-N 0 1 177.251 1.960 10 0 ADAEMN CC1(c2ocnc2CN)CC1 307153131 345845830 /nfs/dbraw/zinc/84/58/30/345845830.db2.gz BUBXSJVAGNKPAB-UHFFFAOYSA-N 0 1 152.197 1.185 10 0 ADAEMN Nc1ncc(C(F)(F)F)n1C1CC1 307156961 345848888 /nfs/dbraw/zinc/84/88/88/345848888.db2.gz OUKNONTWSFSWHM-UHFFFAOYSA-N 0 1 191.156 1.819 10 0 ADAEMN CN(C)c1nc2ccc(F)cc2[nH]1 307157538 345849137 /nfs/dbraw/zinc/84/91/37/345849137.db2.gz QMZPDIUQRRIDIN-UHFFFAOYSA-N 0 1 179.198 1.768 10 0 ADAEMN Cc1nc(C(F)F)c(CN)o1 307158293 345850652 /nfs/dbraw/zinc/85/06/52/345850652.db2.gz ALGXVEYEQSSGFX-UHFFFAOYSA-N 0 1 162.139 1.379 10 0 ADAEMN CN[C@H](C)c1nnc(C2(C)CC2)s1 307160032 345852419 /nfs/dbraw/zinc/85/24/19/345852419.db2.gz DETQAXWQZSKHJF-ZCFIWIBFSA-N 0 1 197.307 1.870 10 0 ADAEMN CN[C@@H](C)c1nnc(C2(C)CC2)s1 307160031 345852512 /nfs/dbraw/zinc/85/25/12/345852512.db2.gz DETQAXWQZSKHJF-LURJTMIESA-N 0 1 197.307 1.870 10 0 ADAEMN CCc1nc([C@@H]2CCCO2)oc1CN 307164176 345856467 /nfs/dbraw/zinc/85/64/67/345856467.db2.gz JNSJIBWEYLDCCC-QMMMGPOBSA-N 0 1 196.250 1.547 10 0 ADAEMN CCc1nc([C@H]2CCCO2)oc1CN 307164174 345856511 /nfs/dbraw/zinc/85/65/11/345856511.db2.gz JNSJIBWEYLDCCC-MRVPVSSYSA-N 0 1 196.250 1.547 10 0 ADAEMN CC1(C[C@@H](O)c2nnc[nH]2)CCC1 307168498 345861068 /nfs/dbraw/zinc/86/10/68/345861068.db2.gz VGEHDLQJFBPFLE-SSDOTTSWSA-N 0 1 181.239 1.418 10 0 ADAEMN CC1(C[C@H](O)c2nnc[nH]2)CCC1 307168499 345861082 /nfs/dbraw/zinc/86/10/82/345861082.db2.gz VGEHDLQJFBPFLE-ZETCQYMHSA-N 0 1 181.239 1.418 10 0 ADAEMN N[C@@]1(c2ncon2)CCCC12CCC2 307168938 345861623 /nfs/dbraw/zinc/86/16/23/345861623.db2.gz WNLRYKWIWAUYDH-SNVBAGLBSA-N 0 1 193.250 1.578 10 0 ADAEMN N[C@]1(c2ncon2)CCCC12CCC2 307168937 345861671 /nfs/dbraw/zinc/86/16/71/345861671.db2.gz WNLRYKWIWAUYDH-JTQLQIEISA-N 0 1 193.250 1.578 10 0 ADAEMN CNC(C)(C)C(=O)c1cscn1 307168967 345861801 /nfs/dbraw/zinc/86/18/01/345861801.db2.gz WQPKNZLDSYPQLS-UHFFFAOYSA-N 0 1 184.264 1.324 10 0 ADAEMN Cc1nn(C)cc1CN1CC(C)C1 307169548 345862385 /nfs/dbraw/zinc/86/23/85/345862385.db2.gz YMYQLCLKERXNNE-UHFFFAOYSA-N 0 1 179.267 1.180 10 0 ADAEMN CNc1ncccc1CN1CCC1 307170469 345862751 /nfs/dbraw/zinc/86/27/51/345862751.db2.gz KMVWINUUOWUQOT-UHFFFAOYSA-N 0 1 177.251 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1 182.267 1.670 10 0 ADAEMN CC[C@]1(C2CCCC2)CN=C(N)O1 307597508 346137543 /nfs/dbraw/zinc/13/75/43/346137543.db2.gz NZPSGTFTTROGCS-SNVBAGLBSA-N 0 1 182.267 1.670 10 0 ADAEMN Cc1cc(-c2n[nH]c(=O)o2)cs1 307601972 346140062 /nfs/dbraw/zinc/14/00/62/346140062.db2.gz STJHXRSWKFNRMQ-UHFFFAOYSA-N 0 1 182.204 1.400 10 0 ADAEMN CC1(C)CC(N2CCC(=O)CC2)C1 307603007 346141218 /nfs/dbraw/zinc/14/12/18/346141218.db2.gz YGOSQLCWWICQCM-UHFFFAOYSA-N 0 1 181.279 1.840 10 0 ADAEMN CCC(C)(C)[C@H]1C[S@@](=O)CCN1 307612570 346146513 /nfs/dbraw/zinc/14/65/13/346146513.db2.gz KRLRXGCYRCMUOU-PELKAZGASA-N 0 1 189.324 1.143 10 0 ADAEMN CCC(C)(C)[C@@H]1C[S@](=O)CCN1 307612572 346146517 /nfs/dbraw/zinc/14/65/17/346146517.db2.gz KRLRXGCYRCMUOU-QPUJVOFHSA-N 0 1 189.324 1.143 10 0 ADAEMN CCC(C)(C)[C@@H]1C[S@@](=O)CCN1 307612573 346146559 /nfs/dbraw/zinc/14/65/59/346146559.db2.gz KRLRXGCYRCMUOU-UFBFGSQYSA-N 0 1 189.324 1.143 10 0 ADAEMN CCC(C)(C)[C@H]1C[S@](=O)CCN1 307612571 346146608 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307617610 346150225 /nfs/dbraw/zinc/15/02/25/346150225.db2.gz WVIARCZDZSTHKZ-DTWKUNHWSA-N 0 1 179.267 1.640 10 0 ADAEMN C[C@@H]1C[C@@H](C)N(Cc2ncc[nH]2)C1 307617612 346150273 /nfs/dbraw/zinc/15/02/73/346150273.db2.gz WVIARCZDZSTHKZ-RKDXNWHRSA-N 0 1 179.267 1.640 10 0 ADAEMN C[C@H]1C[C@H](C)N(Cc2ncc[nH]2)C1 307617611 346150372 /nfs/dbraw/zinc/15/03/72/346150372.db2.gz WVIARCZDZSTHKZ-IUCAKERBSA-N 0 1 179.267 1.640 10 0 ADAEMN C[C@H]1C[C@@H](C)CN1Cc1ncc[nH]1 307617609 346150460 /nfs/dbraw/zinc/15/04/60/346150460.db2.gz WVIARCZDZSTHKZ-BDAKNGLRSA-N 0 1 179.267 1.640 10 0 ADAEMN CC[C@@]1(C2CCC2)CN=C(N)O1 307618134 346150619 /nfs/dbraw/zinc/15/06/19/346150619.db2.gz SSDLDTUXGHIZEY-VIFPVBQESA-N 0 1 168.240 1.280 10 0 ADAEMN Cc1cc(F)c(F)c2c1OC[C@@H]2N 307618620 346150718 /nfs/dbraw/zinc/15/07/18/346150718.db2.gz ZFDNGJMISLWVQY-LURJTMIESA-N 0 1 185.173 1.665 10 0 ADAEMN CC[C@]1(C2CCC2)CN=C(N)O1 307618133 346150929 /nfs/dbraw/zinc/15/09/29/346150929.db2.gz SSDLDTUXGHIZEY-SECBINFHSA-N 0 1 168.240 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153.229 1.170 10 0 ADAEMN c1c[nH]c(C[N@H+]2CCCOCC2)c1 307628996 346156949 /nfs/dbraw/zinc/15/69/49/346156949.db2.gz MVMLMMHNCJRBIA-UHFFFAOYSA-N 0 1 180.251 1.237 10 0 ADAEMN c1c[nH]c(CN2CCCOCC2)c1 307628996 346156953 /nfs/dbraw/zinc/15/69/53/346156953.db2.gz MVMLMMHNCJRBIA-UHFFFAOYSA-N 0 1 180.251 1.237 10 0 ADAEMN C[C@@H]1CCC[C@@]1(N)c1nncs1 307628867 346156994 /nfs/dbraw/zinc/15/69/94/346156994.db2.gz KRWQMSPKGOYIBI-SVRRBLITSA-N 0 1 183.280 1.512 10 0 ADAEMN C[C@@H]1CCC[C@]1(N)c1nncs1 307628865 346157017 /nfs/dbraw/zinc/15/70/17/346157017.db2.gz KRWQMSPKGOYIBI-HTRCEHHLSA-N 0 1 183.280 1.512 10 0 ADAEMN C[C@H]1CCC[C@@]1(N)c1nncs1 307628868 346157143 /nfs/dbraw/zinc/15/71/43/346157143.db2.gz KRWQMSPKGOYIBI-XPUUQOCRSA-N 0 1 183.280 1.512 10 0 ADAEMN C[C@H]1CCC[C@]1(N)c1nncs1 307628866 346157151 /nfs/dbraw/zinc/15/71/51/346157151.db2.gz KRWQMSPKGOYIBI-POYBYMJQSA-N 0 1 183.280 1.512 10 0 ADAEMN CC(C)[C@@H](C)c1nccc(NN)n1 307629862 346157384 /nfs/dbraw/zinc/15/73/84/346157384.db2.gz 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307648560 346166287 /nfs/dbraw/zinc/16/62/87/346166287.db2.gz OYPDDUOLJRSWGE-UHFFFAOYSA-N 0 1 193.275 1.885 10 0 ADAEMN CC[C@H](C)c1cc(C=O)[nH]n1 307651407 346166710 /nfs/dbraw/zinc/16/67/10/346166710.db2.gz LVHQYMPADVIHMC-LURJTMIESA-N 0 1 152.197 1.736 10 0 ADAEMN CC[C@@H](C)c1cc(C=O)[nH]n1 307651409 346166720 /nfs/dbraw/zinc/16/67/20/346166720.db2.gz LVHQYMPADVIHMC-ZCFIWIBFSA-N 0 1 152.197 1.736 10 0 ADAEMN N[C@@]1(c2ncccc2Cl)CCOC1 307651790 346166742 /nfs/dbraw/zinc/16/67/42/346166742.db2.gz MUFOOCOQJBIVBU-VIFPVBQESA-N 0 1 198.653 1.309 10 0 ADAEMN N[C@]1(c2ncccc2Cl)CCOC1 307651789 346166778 /nfs/dbraw/zinc/16/67/78/346166778.db2.gz MUFOOCOQJBIVBU-SECBINFHSA-N 0 1 198.653 1.309 10 0 ADAEMN Cc1c[nH]nc1[C@@H]1CCCCC[NH2+]1 307659120 346169106 /nfs/dbraw/zinc/16/91/06/346169106.db2.gz BLMGNQXUJSCZLG-VIFPVBQESA-N 0 1 179.267 1.923 10 0 ADAEMN Cc1c[nH]nc1[C@H]1CCCCC[NH2+]1 307659119 346169175 /nfs/dbraw/zinc/16/91/75/346169175.db2.gz BLMGNQXUJSCZLG-SECBINFHSA-N 0 1 179.267 1.923 10 0 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CC[C@@H](NC(=O)CN(C)C)C(C)C 308246876 346274616 /nfs/dbraw/zinc/27/46/16/346274616.db2.gz WSJMLMSEPMTEMH-SECBINFHSA-N 0 1 186.299 1.099 10 0 ADAEMN COC(=O)[C@@H](C)N(C)CCCCF 308250844 346276002 /nfs/dbraw/zinc/27/60/02/346276002.db2.gz BMXOQCFURZXDNC-MRVPVSSYSA-N 0 1 191.246 1.229 10 0 ADAEMN C/C=C\CN1CCO[C@@H](C2CC2)C1 308321133 346288465 /nfs/dbraw/zinc/28/84/65/346288465.db2.gz YQHKQOIEQJLPEM-OTDNITJGSA-N 0 1 181.279 1.673 10 0 ADAEMN C/C=C\CN1CCO[C@H](C2CC2)C1 308321134 346288580 /nfs/dbraw/zinc/28/85/80/346288580.db2.gz YQHKQOIEQJLPEM-QUCGXOGASA-N 0 1 181.279 1.673 10 0 ADAEMN [NH3+]/C(=C\c1ccc(F)cc1F)C(=O)[O-] 308362494 346292571 /nfs/dbraw/zinc/29/25/71/346292571.db2.gz HSRIELQGDKNBSK-BAQGIRSFSA-N 0 1 199.156 1.349 10 0 ADAEMN C/C=C\C[N@H+]1CCCC[C@@]1(C)C(=O)[O-] 308393619 346297442 /nfs/dbraw/zinc/29/74/42/346297442.db2.gz SICRBZVQWNCEHI-BYCRGOAPSA-N 0 1 197.278 1.892 10 0 ADAEMN C/C=C\C[N@H+]1CCCC[C@]1(C)C(=O)[O-] 308393622 346297606 /nfs/dbraw/zinc/29/76/06/346297606.db2.gz 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334339868 346341513 /nfs/dbraw/zinc/34/15/13/346341513.db2.gz GWTYSKQRFBLLAG-QWRGUYRKSA-N 0 1 199.294 1.132 10 0 ADAEMN CC(C)[C@H]1CN([C@H]2CCOC2)CCO1 334339869 346341704 /nfs/dbraw/zinc/34/17/04/346341704.db2.gz GWTYSKQRFBLLAG-WDEREUQCSA-N 0 1 199.294 1.132 10 0 ADAEMN Cc1cn[nH]c1CN1CCC=C(F)C1 334349344 346342409 /nfs/dbraw/zinc/34/24/09/346342409.db2.gz UWANDGJIRQGAGA-UHFFFAOYSA-N 0 1 195.241 1.777 10 0 ADAEMN C[C@H]1CCCCCN1C(=O)CN(C)C 334385440 346344831 /nfs/dbraw/zinc/34/48/31/346344831.db2.gz MZCFWJSPPXIBPA-JTQLQIEISA-N 0 1 198.310 1.339 10 0 ADAEMN Cc1c[nH]nc1CN1CCC(C)(C)C1 334493601 346349510 /nfs/dbraw/zinc/34/95/10/346349510.db2.gz SNDHZGDCTRCKCS-UHFFFAOYSA-N 0 1 193.294 1.950 10 0 ADAEMN Cc1cnc(CN2[C@@H](C)C[C@@H]2C)cn1 334495593 346350445 /nfs/dbraw/zinc/35/04/45/346350445.db2.gz LJXXIJBTXJFRMW-UWVGGRQHSA-N 0 1 191.278 1.768 10 0 ADAEMN Cc1cnc(CN2[C@H](C)C[C@H]2C)cn1 334495592 346350462 /nfs/dbraw/zinc/35/04/62/346350462.db2.gz LJXXIJBTXJFRMW-NXEZZACHSA-N 0 1 191.278 1.768 10 0 ADAEMN Cc1cnc(CN2[C@@H](C)C[C@H]2C)cn1 334495588 346350768 /nfs/dbraw/zinc/35/07/68/346350768.db2.gz LJXXIJBTXJFRMW-AOOOYVTPSA-N 0 1 191.278 1.768 10 0 ADAEMN Cc1cc(CN[C@@H]2C[C@@H]2C)no1 334518815 346351147 /nfs/dbraw/zinc/35/11/47/346351147.db2.gz OOIBUASPVICQQK-IMTBSYHQSA-N 0 1 166.224 1.481 10 0 ADAEMN Cc1cc(CN[C@@H]2C[C@H]2C)no1 334518811 346351223 /nfs/dbraw/zinc/35/12/23/346351223.db2.gz OOIBUASPVICQQK-HZGVNTEJSA-N 0 1 166.224 1.481 10 0 ADAEMN Cc1cc(CN[C@H]2C[C@@H]2C)no1 334518819 346351269 /nfs/dbraw/zinc/35/12/69/346351269.db2.gz OOIBUASPVICQQK-RCOVLWMOSA-N 0 1 166.224 1.481 10 0 ADAEMN CCC1CN(Cc2c(C)cnn2C)C1 334521339 346351455 /nfs/dbraw/zinc/35/14/55/346351455.db2.gz BWUNHVJXIHUURY-UHFFFAOYSA-N 0 1 193.294 1.570 10 0 ADAEMN CCC1CN(Cc2cncs2)C1 334521424 346351490 /nfs/dbraw/zinc/35/14/90/346351490.db2.gz DFYJXJYQPQUNAP-UHFFFAOYSA-N 0 1 182.292 1.985 10 0 ADAEMN CCC1CN(Cc2conc2C)C1 334522986 346351762 /nfs/dbraw/zinc/35/17/62/346351762.db2.gz VEDKSCVRCGMSJS-UHFFFAOYSA-N 0 1 180.251 1.825 10 0 ADAEMN Cc1cc(CN[C@H]2C[C@H]2C)no1 334518817 346351773 /nfs/dbraw/zinc/35/17/73/346351773.db2.gz OOIBUASPVICQQK-MUWHJKNJSA-N 0 1 166.224 1.481 10 0 ADAEMN CCn1nncc1CN1CCC[C@@H]1C 334563984 346353927 /nfs/dbraw/zinc/35/39/27/346353927.db2.gz RQNUPBQTOAZELM-VIFPVBQESA-N 0 1 194.282 1.282 10 0 ADAEMN Cc1nnc([C@H](C)N2CCC[C@H]2C)[nH]1 334561779 346354100 /nfs/dbraw/zinc/35/41/00/346354100.db2.gz FGWSQOFFMWURNQ-SFYZADRCSA-N 0 1 194.282 1.658 10 0 ADAEMN Cc1nnc([C@H](C)N2CCC[C@@H]2C)[nH]1 334561780 346354129 /nfs/dbraw/zinc/35/41/29/346354129.db2.gz FGWSQOFFMWURNQ-YUMQZZPRSA-N 0 1 194.282 1.658 10 0 ADAEMN Cc1nnc([C@@H](C)N2CCC[C@H]2C)[nH]1 334561775 346354173 /nfs/dbraw/zinc/35/41/73/346354173.db2.gz FGWSQOFFMWURNQ-HTQZYQBOSA-N 0 1 194.282 1.658 10 0 ADAEMN Cc1cc(CN[C@@H]2CC2(C)C)no1 334564504 346354291 /nfs/dbraw/zinc/35/42/91/346354291.db2.gz ZXOKMTXAMXWUBU-SECBINFHSA-N 0 1 180.251 1.871 10 0 ADAEMN Cc1nnc([C@@H](C)N2CCC[C@@H]2C)[nH]1 334561778 346354526 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626001140 347296031 /nfs/dbraw/zinc/29/60/31/347296031.db2.gz JKLCHBOVVYCHAV-JTQLQIEISA-N 0 1 189.274 1.847 10 0 ADAEMN CCN1CCO[C@H](CCF)C1 626002097 347296104 /nfs/dbraw/zinc/29/61/04/347296104.db2.gz GGQFNRQMYZPYBW-MRVPVSSYSA-N 0 1 161.220 1.067 10 0 ADAEMN CC(C)N1CCO[C@@H](CCF)C1 626001264 347296119 /nfs/dbraw/zinc/29/61/19/347296119.db2.gz LVGNFCCDAKTPBQ-VIFPVBQESA-N 0 1 175.247 1.455 10 0 ADAEMN CCN(CC)Cc1cnc(C)o1 628118091 347306326 /nfs/dbraw/zinc/30/63/26/347306326.db2.gz GWYCBOBKERMCBI-UHFFFAOYSA-N 0 1 168.240 1.825 10 0 ADAEMN Cc1ncc(CN(C)CC(C)(C)O)o1 628175820 347308911 /nfs/dbraw/zinc/30/89/11/347308911.db2.gz KYVNZTUATOSDQY-UHFFFAOYSA-N 0 1 198.266 1.186 10 0 ADAEMN Cc1ncc(CN(C)C(C)C)o1 628119141 347306630 /nfs/dbraw/zinc/30/66/30/347306630.db2.gz DBRBJHXTQJFZHX-UHFFFAOYSA-N 0 1 168.240 1.823 10 0 ADAEMN CCN(CCOC)Cc1cnc(C)o1 628130028 347307017 /nfs/dbraw/zinc/30/70/17/347307017.db2.gz GPZAAASNUGINTJ-UHFFFAOYSA-N 0 1 198.266 1.451 10 0 ADAEMN Cc1ncc(CN(CCO)C(C)C)o1 628120134 347307241 /nfs/dbraw/zinc/30/72/41/347307241.db2.gz ZGIOIBHWFPIDRG-UHFFFAOYSA-N 0 1 198.266 1.186 10 0 ADAEMN CCCN(C)Cc1cnc(C)o1 628129475 347307265 /nfs/dbraw/zinc/30/72/65/347307265.db2.gz CLXGFFJPJBHUNV-UHFFFAOYSA-N 0 1 168.240 1.825 10 0 ADAEMN CCN(C)Cc1cnc(C)o1 628129509 347307295 /nfs/dbraw/zinc/30/72/95/347307295.db2.gz FQGWYDZZIMVLOE-UHFFFAOYSA-N 0 1 154.213 1.435 10 0 ADAEMN CCCN(CCO)Cc1cnc(C)o1 628120030 347307314 /nfs/dbraw/zinc/30/73/14/347307314.db2.gz UZGYLZRSKQFRJY-UHFFFAOYSA-N 0 1 198.266 1.187 10 0 ADAEMN COCCCN(C)Cc1cnc(C)o1 628156213 347307962 /nfs/dbraw/zinc/30/79/62/347307962.db2.gz HLLQJTKMJZGPCQ-UHFFFAOYSA-N 0 1 198.266 1.451 10 0 ADAEMN Cc1ncc(CN(C)C2CC2)o1 628135195 347308322 /nfs/dbraw/zinc/30/83/22/347308322.db2.gz PKDBGOXJFJNTII-UHFFFAOYSA-N 0 1 166.224 1.577 10 0 ADAEMN CCN(Cc1cnc(C)o1)C1CC1 628134004 347308396 /nfs/dbraw/zinc/30/83/96/347308396.db2.gz ZPXQUEJQGHGWHJ-UHFFFAOYSA-N 0 1 180.251 1.967 10 0 ADAEMN Cc1ncc(CN(C)CC[C@H](C)O)o1 628178371 347308873 /nfs/dbraw/zinc/30/88/73/347308873.db2.gz NNGHRRRZLFLGKX-QMMMGPOBSA-N 0 1 198.266 1.186 10 0 ADAEMN Cc1ncc(CN(C)CC[C@@H](C)O)o1 628178370 347309054 /nfs/dbraw/zinc/30/90/54/347309054.db2.gz NNGHRRRZLFLGKX-MRVPVSSYSA-N 0 1 198.266 1.186 10 0 ADAEMN CCN(CCCO)Cc1cnc(C)o1 628183486 347309367 /nfs/dbraw/zinc/30/93/67/347309367.db2.gz CWOWYLGSYINUJF-UHFFFAOYSA-N 0 1 198.266 1.187 10 0 ADAEMN Cc1ncc(CN(C)C2CCC2)o1 628177858 347309401 /nfs/dbraw/zinc/30/94/01/347309401.db2.gz QQPTWFKPSCDKQI-UHFFFAOYSA-N 0 1 180.251 1.967 10 0 ADAEMN CO[C@H]1CCN(Cc2cnc(C)o2)C1 628178090 347309602 /nfs/dbraw/zinc/30/96/02/347309602.db2.gz CPCWRTGDTKPTRZ-VIFPVBQESA-N 0 1 196.250 1.204 10 0 ADAEMN COCC(C)(C)NCc1cnc(C)o1 628211183 347310240 /nfs/dbraw/zinc/31/02/40/347310240.db2.gz BFLUVWYKUKTEGB-UHFFFAOYSA-N 0 1 198.266 1.498 10 0 ADAEMN CCC[C@@H](O)CNCc1cnc(C)o1 628214591 347310271 /nfs/dbraw/zinc/31/02/71/347310271.db2.gz DOZMXJUXMMHGRB-SECBINFHSA-N 0 1 198.266 1.234 10 0 ADAEMN CCC[C@H](O)CNCc1cnc(C)o1 628214592 347310381 /nfs/dbraw/zinc/31/03/81/347310381.db2.gz DOZMXJUXMMHGRB-VIFPVBQESA-N 0 1 198.266 1.234 10 0 ADAEMN Cc1ncc(CN[C@@]2(C)CCOC2)o1 628230793 347312808 /nfs/dbraw/zinc/31/28/08/347312808.db2.gz STRSXDKNJBXBGU-JTQLQIEISA-N 0 1 196.250 1.252 10 0 ADAEMN CC[C@@H](O)CCNCc1cnc(C)o1 628229291 347312812 /nfs/dbraw/zinc/31/28/12/347312812.db2.gz PPPLCLRACDYPKS-SECBINFHSA-N 0 1 198.266 1.234 10 0 ADAEMN Cc1ncc(CN[C@]2(C)CCOC2)o1 628230794 347312819 /nfs/dbraw/zinc/31/28/19/347312819.db2.gz STRSXDKNJBXBGU-SNVBAGLBSA-N 0 1 196.250 1.252 10 0 ADAEMN Cc1ncc(CNC(C)(C)[C@H](C)O)o1 628231351 347312821 /nfs/dbraw/zinc/31/28/21/347312821.db2.gz LNZAQEPXTZXJQR-ZETCQYMHSA-N 0 1 198.266 1.232 10 0 ADAEMN CC[C@](C)(CO)NCc1cnc(C)o1 628232693 347312877 /nfs/dbraw/zinc/31/28/77/347312877.db2.gz KAYWPENEXUGZAQ-SNVBAGLBSA-N 0 1 198.266 1.234 10 0 ADAEMN Cc1ncc(CN(C)CCCCO)o1 628249261 347312888 /nfs/dbraw/zinc/31/28/88/347312888.db2.gz VXUFOHDLVQUFKG-UHFFFAOYSA-N 0 1 198.266 1.187 10 0 ADAEMN CC[C@H](O)CCNCc1cnc(C)o1 628229292 347312950 /nfs/dbraw/zinc/31/29/50/347312950.db2.gz PPPLCLRACDYPKS-VIFPVBQESA-N 0 1 198.266 1.234 10 0 ADAEMN CC[C@@](C)(CO)NCc1cnc(C)o1 628232692 347312974 /nfs/dbraw/zinc/31/29/74/347312974.db2.gz KAYWPENEXUGZAQ-JTQLQIEISA-N 0 1 198.266 1.234 10 0 ADAEMN Cc1ncc(CNC(C)(C)[C@@H](C)O)o1 628231350 347313104 /nfs/dbraw/zinc/31/31/04/347313104.db2.gz LNZAQEPXTZXJQR-SSDOTTSWSA-N 0 1 198.266 1.232 10 0 ADAEMN CCN(Cc1cnc(C)o1)[C@@H](C)CO 628296820 347313570 /nfs/dbraw/zinc/31/35/70/347313570.db2.gz ZRNXTJDKYHHNSV-QMMMGPOBSA-N 0 1 198.266 1.186 10 0 ADAEMN Cc1ncc(CN2[C@@H](C)C[C@@H]2C)o1 628255106 347313626 /nfs/dbraw/zinc/31/36/26/347313626.db2.gz BOQJIZKJEQNEJY-YUMQZZPRSA-N 0 1 180.251 1.966 10 0 ADAEMN Cc1ncc(CN2[C@@H](C)C[C@H]2C)o1 628255105 347313733 /nfs/dbraw/zinc/31/37/33/347313733.db2.gz BOQJIZKJEQNEJY-OCAPTIKFSA-N 0 1 180.251 1.966 10 0 ADAEMN CC[C@@H]1CCN1Cc1cnc(C)o1 628293122 347313770 /nfs/dbraw/zinc/31/37/70/347313770.db2.gz MTHGHEVCTMNYRD-SECBINFHSA-N 0 1 180.251 1.967 10 0 ADAEMN CCN(Cc1cnc(C)o1)[C@H](C)CO 628290835 347313778 /nfs/dbraw/zinc/31/37/78/347313778.db2.gz ZRNXTJDKYHHNSV-MRVPVSSYSA-N 0 1 198.266 1.186 10 0 ADAEMN Cc1ncc(CN2[C@H](C)C[C@H]2C)o1 628255104 347313791 /nfs/dbraw/zinc/31/37/91/347313791.db2.gz BOQJIZKJEQNEJY-HTQZYQBOSA-N 0 1 180.251 1.966 10 0 ADAEMN CC[C@H](CO)N(C)Cc1cnc(C)o1 628297189 347313796 /nfs/dbraw/zinc/31/37/96/347313796.db2.gz NAADZSSOMZKCMM-SECBINFHSA-N 0 1 198.266 1.186 10 0 ADAEMN CC[C@@H](CO)N(C)Cc1cnc(C)o1 628297190 347313809 /nfs/dbraw/zinc/31/38/09/347313809.db2.gz NAADZSSOMZKCMM-VIFPVBQESA-N 0 1 198.266 1.186 10 0 ADAEMN CO[C@@H](C)CN(C)Cc1cnc(C)o1 628276009 347313854 /nfs/dbraw/zinc/31/38/54/347313854.db2.gz NJPMFFNPPLHWMZ-QMMMGPOBSA-N 0 1 198.266 1.450 10 0 ADAEMN Cc1ncc(CN2CC(C3CC3)C2)o1 628288329 347313920 /nfs/dbraw/zinc/31/39/20/347313920.db2.gz HPXDKTVGXCIJPL-UHFFFAOYSA-N 0 1 192.262 1.825 10 0 ADAEMN CO[C@H](C)CN(C)Cc1cnc(C)o1 628276008 347313958 /nfs/dbraw/zinc/31/39/58/347313958.db2.gz NJPMFFNPPLHWMZ-MRVPVSSYSA-N 0 1 198.266 1.450 10 0 ADAEMN Cc1nc(C)c(CN2CC(C)C2)o1 628255564 347313986 /nfs/dbraw/zinc/31/39/86/347313986.db2.gz RGIIXFHKYWHPOG-UHFFFAOYSA-N 0 1 180.251 1.743 10 0 ADAEMN CC[C@H]1CCN1Cc1cnc(C)o1 628293123 347314147 /nfs/dbraw/zinc/31/41/47/347314147.db2.gz MTHGHEVCTMNYRD-VIFPVBQESA-N 0 1 180.251 1.967 10 0 ADAEMN Cc1ncc(CN2CC[C@H]2C2CC2)o1 628297781 347314485 /nfs/dbraw/zinc/31/44/85/347314485.db2.gz LHBZESZRICCXAK-NSHDSACASA-N 0 1 192.262 1.967 10 0 ADAEMN Cc1ncc(CN2CC[C@@H]2C2CC2)o1 628297780 347314569 /nfs/dbraw/zinc/31/45/69/347314569.db2.gz LHBZESZRICCXAK-LLVKDONJSA-N 0 1 192.262 1.967 10 0 ADAEMN Cc1ncc(CN[C@@H]2CC23CC3)o1 628318666 347314632 /nfs/dbraw/zinc/31/46/32/347314632.db2.gz OQNDRJWBFJZCDF-SECBINFHSA-N 0 1 178.235 1.625 10 0 ADAEMN Cc1ncc(CN(C)[C@@H](C)CCO)o1 628326132 347314664 /nfs/dbraw/zinc/31/46/64/347314664.db2.gz RMUHSTIJLBBSNN-QMMMGPOBSA-N 0 1 198.266 1.186 10 0 ADAEMN Cc1ncc(CN[C@H]2CC23CC3)o1 628318667 347314682 /nfs/dbraw/zinc/31/46/82/347314682.db2.gz OQNDRJWBFJZCDF-VIFPVBQESA-N 0 1 178.235 1.625 10 0 ADAEMN Cc1ncc(CN(C)[C@H](C)CCO)o1 628326131 347314752 /nfs/dbraw/zinc/31/47/52/347314752.db2.gz RMUHSTIJLBBSNN-MRVPVSSYSA-N 0 1 198.266 1.186 10 0 ADAEMN Cc1nc(C)c(CN[C@H]2CC23CC3)o1 628318846 347314787 /nfs/dbraw/zinc/31/47/87/347314787.db2.gz WLEQOWBDMSVIEH-JTQLQIEISA-N 0 1 192.262 1.934 10 0 ADAEMN CCC1CN(Cc2cnc(C)o2)C1 628305119 347314801 /nfs/dbraw/zinc/31/48/01/347314801.db2.gz MKJYUCQYMGWHBO-UHFFFAOYSA-N 0 1 180.251 1.825 10 0 ADAEMN Cc1nc(C)c(CN[C@@H]2CC23CC3)o1 628318847 347314921 /nfs/dbraw/zinc/31/49/21/347314921.db2.gz WLEQOWBDMSVIEH-SNVBAGLBSA-N 0 1 192.262 1.934 10 0 ADAEMN Cc1cnc(CN2C[C@H]3C[C@H]3C2)s1 628409867 347316842 /nfs/dbraw/zinc/31/68/42/347316842.db2.gz BAHLBVUTYMKYOE-DTORHVGOSA-N 0 1 194.303 1.903 10 0 ADAEMN Cc1ncc(CN2C[C@H]3C[C@H]3C2)cn1 628408795 347317051 /nfs/dbraw/zinc/31/70/51/347317051.db2.gz HJTDBWOKDCJNMS-PHIMTYICSA-N 0 1 189.262 1.237 10 0 ADAEMN Cc1cc(C[N@@H+]2C[C@H]3C[C@H]3C2)nn1C 628410093 347317498 /nfs/dbraw/zinc/31/74/98/347317498.db2.gz FYRGMZBUWAHSKZ-AOOOYVTPSA-N 0 1 191.278 1.180 10 0 ADAEMN Cc1cc(CN2C[C@H]3C[C@H]3C2)nn1C 628410093 347317502 /nfs/dbraw/zinc/31/75/02/347317502.db2.gz FYRGMZBUWAHSKZ-AOOOYVTPSA-N 0 1 191.278 1.180 10 0 ADAEMN COC[C@H](C)CN1CC2(CCCO2)C1 628427675 347317902 /nfs/dbraw/zinc/31/79/02/347317902.db2.gz RZTYZKNKALCCTQ-SNVBAGLBSA-N 0 1 199.294 1.134 10 0 ADAEMN C[C@@H]1C[C@@H]1CN1CC2(CCCO2)C1 628427425 347317950 /nfs/dbraw/zinc/31/79/50/347317950.db2.gz AXOBMZIMOAPEFF-NXEZZACHSA-N 0 1 181.279 1.507 10 0 ADAEMN C[C@@H]1C[C@H]1CN1CC2(CCCO2)C1 628427428 347317964 /nfs/dbraw/zinc/31/79/64/347317964.db2.gz AXOBMZIMOAPEFF-ZJUUUORDSA-N 0 1 181.279 1.507 10 0 ADAEMN CCC(F)(F)CNC[C@@H](C)COC 628435440 347317976 /nfs/dbraw/zinc/31/79/76/347317976.db2.gz LTVVJZGDWCDHSH-MRVPVSSYSA-N 0 1 195.253 1.904 10 0 ADAEMN CC(C)CN1CC2(CCCO2)C1 628427340 347317981 /nfs/dbraw/zinc/31/79/81/347317981.db2.gz VXYANAVKBZWQQB-UHFFFAOYSA-N 0 1 169.268 1.507 10 0 ADAEMN CC1(CN2CC3(CCCO3)C2)CC1 628427659 347317990 /nfs/dbraw/zinc/31/79/90/347317990.db2.gz QTCDJOQNMUXJBY-UHFFFAOYSA-N 0 1 181.279 1.651 10 0 ADAEMN C[C@H]1C[C@@H]1CN1CC2(CCCO2)C1 628427427 347318017 /nfs/dbraw/zinc/31/80/17/347318017.db2.gz AXOBMZIMOAPEFF-VHSXEESVSA-N 0 1 181.279 1.507 10 0 ADAEMN C1COC2(C1)CN(CC1CC1)C2 628427207 347318223 /nfs/dbraw/zinc/31/82/23/347318223.db2.gz MJPOZSQAFXLPJS-UHFFFAOYSA-N 0 1 167.252 1.261 10 0 ADAEMN CCC(F)(F)CNC[C@H](C)COC 628435441 347318334 /nfs/dbraw/zinc/31/83/34/347318334.db2.gz LTVVJZGDWCDHSH-QMMMGPOBSA-N 0 1 195.253 1.904 10 0 ADAEMN COC[C@@H](C)CN1CC2(CCCO2)C1 628427674 347318450 /nfs/dbraw/zinc/31/84/50/347318450.db2.gz RZTYZKNKALCCTQ-JTQLQIEISA-N 0 1 199.294 1.134 10 0 ADAEMN C[C@H]1C[C@H]1CN1CC2(CCCO2)C1 628427426 347318488 /nfs/dbraw/zinc/31/84/88/347318488.db2.gz AXOBMZIMOAPEFF-UWVGGRQHSA-N 0 1 181.279 1.507 10 0 ADAEMN CO[C@H]1C[C@H](NCc2cnc(C)o2)C1 628482733 347319687 /nfs/dbraw/zinc/31/96/87/347319687.db2.gz XFLPKOGWRHZGBT-KYZUINATSA-N 0 1 196.250 1.250 10 0 ADAEMN C/C=C/CNC(=O)CCc1cnc[nH]1 629034518 347328689 /nfs/dbraw/zinc/32/86/89/347328689.db2.gz LBFIIMKBKSSYIJ-NSCUHMNNSA-N 0 1 193.250 1.035 10 0 ADAEMN C/C=C\CNC(=O)CCc1cnc[nH]1 629034517 347328933 /nfs/dbraw/zinc/32/89/33/347328933.db2.gz LBFIIMKBKSSYIJ-IHWYPQMZSA-N 0 1 193.250 1.035 10 0 ADAEMN C/C=C\CNC(=O)[C@@H]1CCCCN1C 629035336 347329223 /nfs/dbraw/zinc/32/92/23/347329223.db2.gz RJCGIIXCBFLPMW-XOULXFPDSA-N 0 1 196.294 1.163 10 0 ADAEMN C/C=C/CNC(=O)[C@@H]1CCCCN1C 629035333 347329666 /nfs/dbraw/zinc/32/96/66/347329666.db2.gz RJCGIIXCBFLPMW-FSIBCCDJSA-N 0 1 196.294 1.163 10 0 ADAEMN C/C=C\CNC(=O)[C@H]1CCCCN1C 629035335 347329676 /nfs/dbraw/zinc/32/96/76/347329676.db2.gz RJCGIIXCBFLPMW-UMBAGQNISA-N 0 1 196.294 1.163 10 0 ADAEMN C/C=C/CNC(=O)[C@H]1CCCCN1C 629035334 347329691 /nfs/dbraw/zinc/32/96/91/347329691.db2.gz RJCGIIXCBFLPMW-HMDXOVGESA-N 0 1 196.294 1.163 10 0 ADAEMN CC=CCNC(=O)c1[nH]nc(C)c1C 629036941 347330892 /nfs/dbraw/zinc/33/08/92/347330892.db2.gz JKCSPXGAHHBYQL-SNAWJCMRSA-N 0 1 193.250 1.332 10 0 ADAEMN CC=CCNC(=O)c1[nH]nc(C)c1C 629036939 347330926 /nfs/dbraw/zinc/33/09/26/347330926.db2.gz JKCSPXGAHHBYQL-PLNGDYQASA-N 0 1 193.250 1.332 10 0 ADAEMN C/C=C\CNC(=O)CN(CC)C1CC1 629041569 347332771 /nfs/dbraw/zinc/33/27/71/347332771.db2.gz XPZFAOWKDFDEGW-HYXAFXHYSA-N 0 1 196.294 1.163 10 0 ADAEMN C/C=C/CNC(=O)CN(CC)C1CC1 629041568 347332993 /nfs/dbraw/zinc/33/29/93/347332993.db2.gz XPZFAOWKDFDEGW-HWKANZROSA-N 0 1 196.294 1.163 10 0 ADAEMN C[C@@H]1C[C@H]1CSc1cn[nH]n1 629160121 347335965 /nfs/dbraw/zinc/33/59/65/347335965.db2.gz NGGVLJQQVSQWDG-RITPCOANSA-N 0 1 169.253 1.553 10 0 ADAEMN C[C@@H]1C[C@@H]1CSc1cn[nH]n1 629160120 347336064 /nfs/dbraw/zinc/33/60/64/347336064.db2.gz NGGVLJQQVSQWDG-PHDIDXHHSA-N 0 1 169.253 1.553 10 0 ADAEMN C[C@@H]1C[C@H]1C[N@H+]1CCC[C@@]1(C)C(=O)[O-] 629364717 347340465 /nfs/dbraw/zinc/34/04/65/347340465.db2.gz QQHOHYBBIJUREP-YWVKMMECSA-N 0 1 197.278 1.582 10 0 ADAEMN C[C@@H]1C[C@H]1C[N@H+]1CCC[C@]1(C)C(=O)[O-] 629364716 347340542 /nfs/dbraw/zinc/34/05/42/347340542.db2.gz QQHOHYBBIJUREP-WCABBAIRSA-N 0 1 197.278 1.582 10 0 ADAEMN C[C@@H]1C[C@@H]1C[N@H+]1CCC[C@]1(C)C(=O)[O-] 629364714 347340574 /nfs/dbraw/zinc/34/05/74/347340574.db2.gz QQHOHYBBIJUREP-FXPVBKGRSA-N 0 1 197.278 1.582 10 0 ADAEMN C[C@H]1C[C@H]1COCCc1c[nH]nn1 629369914 347340600 /nfs/dbraw/zinc/34/06/00/347340600.db2.gz LSFPMNPSCCUSHI-YUMQZZPRSA-N 0 1 181.239 1.020 10 0 ADAEMN C[C@@H]1C[C@@H]1C[N@H+]1CCC[C@@]1(C)C(=O)[O-] 629364715 347340638 /nfs/dbraw/zinc/34/06/38/347340638.db2.gz QQHOHYBBIJUREP-KKZNHRDASA-N 0 1 197.278 1.582 10 0 ADAEMN C[C@@H]1C[C@H]1COCCc1c[nH]nn1 629369912 347340723 /nfs/dbraw/zinc/34/07/23/347340723.db2.gz LSFPMNPSCCUSHI-SFYZADRCSA-N 0 1 181.239 1.020 10 0 ADAEMN C[C@H]1C[C@@H]1COCCc1c[nH]nn1 629369910 347340792 /nfs/dbraw/zinc/34/07/92/347340792.db2.gz LSFPMNPSCCUSHI-JGVFFNPUSA-N 0 1 181.239 1.020 10 0 ADAEMN C[C@@H]1C[C@@H]1COCCc1c[nH]nn1 629369909 347340896 /nfs/dbraw/zinc/34/08/96/347340896.db2.gz LSFPMNPSCCUSHI-HTQZYQBOSA-N 0 1 181.239 1.020 10 0 ADAEMN CC[N@H+]1CC[C@H](C(=O)[O-])[C@H]2CCC[C@H]21 629373050 347341140 /nfs/dbraw/zinc/34/11/40/347341140.db2.gz JGJLQFDHFRBICP-KXUCPTDWSA-N 0 1 197.278 1.582 10 0 ADAEMN CC[N@H+]1CC[C@H](C(=O)[O-])[C@H]2CCC[C@@H]21 629373052 347341219 /nfs/dbraw/zinc/34/12/19/347341219.db2.gz JGJLQFDHFRBICP-UTLUCORTSA-N 0 1 197.278 1.582 10 0 ADAEMN CC[N@H+]1CC[C@H](C(=O)[O-])[C@@H]2CCC[C@H]21 629373051 347341414 /nfs/dbraw/zinc/34/14/14/347341414.db2.gz JGJLQFDHFRBICP-LPEHRKFASA-N 0 1 197.278 1.582 10 0 ADAEMN CC[N@H+]1CC[C@H](C(=O)[O-])[C@@H]2CCC[C@@H]21 629373049 347341455 /nfs/dbraw/zinc/34/14/55/347341455.db2.gz JGJLQFDHFRBICP-GUBZILKMSA-N 0 1 197.278 1.582 10 0 ADAEMN CNCc1cn([C@@H]2CC[C@H](C)C2)nn1 629941657 347358505 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CC(C)[N@H+]1CC[C@@H](C)[C@H](C(=O)[O-])C1 251778970 351836496 /nfs/dbraw/zinc/83/64/96/351836496.db2.gz VYNUERKMJQJCHF-RKDXNWHRSA-N 0 1 185.267 1.437 10 0 ADAEMN C[C@H]1C[N@@H+](C)CC[C@H]1CC(=O)[O-] 251857987 351836521 /nfs/dbraw/zinc/83/65/21/351836521.db2.gz SDZGRFMDDCVKBF-YUMQZZPRSA-N 0 1 171.240 1.049 10 0 ADAEMN CC(C)[N@H+]1CC[C@H](C)[C@H](C(=O)[O-])C1 251778969 351836645 /nfs/dbraw/zinc/83/66/45/351836645.db2.gz VYNUERKMJQJCHF-DTWKUNHWSA-N 0 1 185.267 1.437 10 0 ADAEMN O[C@]1(c2ccco2)CC[N@H+]2CC[C@H]1C2 252949088 351844034 /nfs/dbraw/zinc/84/40/34/351844034.db2.gz GZPFCULGAYMCCY-GXSJLCMTSA-N 0 1 193.246 1.193 10 0 ADAEMN CC[C@@](C)(O)CN1CCC(=O)[C@H](C)C1 253246553 351845358 /nfs/dbraw/zinc/84/53/58/351845358.db2.gz GSIUEOLLWLKDDC-MWLCHTKSSA-N 0 1 199.294 1.058 10 0 ADAEMN CC[C@](C)(O)CN1CCC(=O)[C@H](C)C1 253246552 351845399 /nfs/dbraw/zinc/84/53/99/351845399.db2.gz GSIUEOLLWLKDDC-KOLCDFICSA-N 0 1 199.294 1.058 10 0 ADAEMN CC[C@@H](N)C(F)(F)C(F)(F)F 257832346 351851983 /nfs/dbraw/zinc/85/19/83/351851983.db2.gz KAEXZKDYUDJZJY-GSVOUGTGSA-N 0 1 177.116 1.921 10 0 ADAEMN CC[C@H](N)C(F)(F)C(F)(F)F 257832347 351852064 /nfs/dbraw/zinc/85/20/64/351852064.db2.gz KAEXZKDYUDJZJY-VKHMYHEASA-N 0 1 177.116 1.921 10 0 ADAEMN CCN1CCCC[C@H]1c1cc(N)n[nH]1 257847212 351852605 /nfs/dbraw/zinc/85/26/05/351852605.db2.gz AMUIZSOLNMDZAU-VIFPVBQESA-N 0 1 194.282 1.539 10 0 ADAEMN CCN1CCCC[C@@H]1c1cc(N)n[nH]1 257847210 351852938 /nfs/dbraw/zinc/85/29/38/351852938.db2.gz AMUIZSOLNMDZAU-SECBINFHSA-N 0 1 194.282 1.539 10 0 ADAEMN CCC(F)(F)[C@@H](C)N 257864817 351853534 /nfs/dbraw/zinc/85/35/34/351853534.db2.gz WRLIADQYSMESTJ-SCSAIBSYSA-N 0 1 123.146 1.379 10 0 ADAEMN CN[C@H](C)c1coc(C)n1 257889256 351854215 /nfs/dbraw/zinc/85/42/15/351854215.db2.gz AYHBLWMZAFSGLD-RXMQYKEDSA-N 0 1 140.186 1.263 10 0 ADAEMN CN[C@@H](C)c1coc(C)n1 257889258 351854283 /nfs/dbraw/zinc/85/42/83/351854283.db2.gz AYHBLWMZAFSGLD-YFKPBYRVSA-N 0 1 140.186 1.263 10 0 ADAEMN CN1CC[C@H](c2ncc(C=O)s2)C1 257908270 351854727 /nfs/dbraw/zinc/85/47/27/351854727.db2.gz CHYXTCYZZDTFNU-ZETCQYMHSA-N 0 1 196.275 1.375 10 0 ADAEMN CN1CC[C@@H](c2ncc(C=O)s2)C1 257908268 351855000 /nfs/dbraw/zinc/85/50/00/351855000.db2.gz CHYXTCYZZDTFNU-SSDOTTSWSA-N 0 1 196.275 1.375 10 0 ADAEMN CN1CC[C@H](c2nc(C=O)cs2)C1 257967753 351856203 /nfs/dbraw/zinc/85/62/03/351856203.db2.gz GVQAXTAIBVNGMI-ZETCQYMHSA-N 0 1 196.275 1.375 10 0 ADAEMN CN1CC[C@@H](c2nc(C=O)cs2)C1 257967751 351856345 /nfs/dbraw/zinc/85/63/45/351856345.db2.gz GVQAXTAIBVNGMI-SSDOTTSWSA-N 0 1 196.275 1.375 10 0 ADAEMN CNCc1coc(C2CCOCC2)n1 257998923 351857322 /nfs/dbraw/zinc/85/73/22/351857322.db2.gz IMHYAPNMTZJZRZ-UHFFFAOYSA-N 0 1 196.250 1.288 10 0 ADAEMN Cc1sc(CN)nc1[C@@H]1CCOC1 258050635 351857948 /nfs/dbraw/zinc/85/79/48/351857948.db2.gz KAPXRATVSSSBMC-SSDOTTSWSA-N 0 1 198.291 1.414 10 0 ADAEMN Cc1sc(CN)nc1[C@H]1CCOC1 258050638 351858103 /nfs/dbraw/zinc/85/81/03/351858103.db2.gz KAPXRATVSSSBMC-ZETCQYMHSA-N 0 1 198.291 1.414 10 0 ADAEMN Cc1nc(C2CCOCC2)oc1CN 258042229 351858351 /nfs/dbraw/zinc/85/83/51/351858351.db2.gz JGNIZNYDXBRVQE-UHFFFAOYSA-N 0 1 196.250 1.336 10 0 ADAEMN Cc1ncc(CN2CCCCC2)o1 258075007 351858740 /nfs/dbraw/zinc/85/87/40/351858740.db2.gz HCGGADYTQGJIRW-UHFFFAOYSA-N 0 1 180.251 1.969 10 0 ADAEMN Oc1cnn([C@@H]2CCSC2)c1 258074557 351858783 /nfs/dbraw/zinc/85/87/83/351858783.db2.gz WESPJCDBLLYFTN-ZCFIWIBFSA-N 0 1 170.237 1.267 10 0 ADAEMN C[NH+](C)Cc1ccc(F)c([O-])c1 258147426 351859625 /nfs/dbraw/zinc/85/96/25/351859625.db2.gz OZFHNAXEFJFRFL-UHFFFAOYSA-N 0 1 169.199 1.593 10 0 ADAEMN Nc1ncc(CN2CCCCC2)o1 258195297 351860300 /nfs/dbraw/zinc/86/03/00/351860300.db2.gz NRQPUYQCWPBFTM-UHFFFAOYSA-N 0 1 181.239 1.243 10 0 ADAEMN NCc1cc(C2CCC2)on1 258411272 351861838 /nfs/dbraw/zinc/86/18/38/351861838.db2.gz DDEHURMFTGOKFA-UHFFFAOYSA-N 0 1 152.197 1.401 10 0 ADAEMN CCc1csc(C2(N)CC2)n1 258495035 351862996 /nfs/dbraw/zinc/86/29/96/351862996.db2.gz KLGXYGSEUURWTL-UHFFFAOYSA-N 0 1 168.265 1.653 10 0 ADAEMN Cc1sc(CN)nc1C1CC1 258482397 351863016 /nfs/dbraw/zinc/86/30/16/351863016.db2.gz JHVJZTWMEFMZPM-UHFFFAOYSA-N 0 1 168.265 1.788 10 0 ADAEMN CCCc1nc(CO)[nH]c1C 258500371 351863215 /nfs/dbraw/zinc/86/32/15/351863215.db2.gz DUQCQXOGWRUJRC-UHFFFAOYSA-N 0 1 154.213 1.163 10 0 ADAEMN Cc1[nH]c(C=O)nc1C(C)(C)C 258563970 351864463 /nfs/dbraw/zinc/86/44/63/351864463.db2.gz QWBWRPFEUGMGBS-UHFFFAOYSA-N 0 1 166.224 1.828 10 0 ADAEMN Cc1nc(CO)[nH]c1C(C)(C)C 258652205 351865539 /nfs/dbraw/zinc/86/55/39/351865539.db2.gz ZOEKIDOEHZFQID-UHFFFAOYSA-N 0 1 168.240 1.508 10 0 ADAEMN CCN1CCC(=O)C(C)(C)C1 258675211 351865850 /nfs/dbraw/zinc/86/58/50/351865850.db2.gz FQLQIZQNTDARRV-UHFFFAOYSA-N 0 1 155.241 1.307 10 0 ADAEMN Cc1ccsc1C1(N)COC1 259191752 351870800 /nfs/dbraw/zinc/87/08/00/351870800.db2.gz KGXGTONEGFGWLP-UHFFFAOYSA-N 0 1 169.249 1.241 10 0 ADAEMN CN1CCCC[C@H]1c1cccnn1 259310285 351872587 /nfs/dbraw/zinc/87/25/87/351872587.db2.gz DCOHNVJTDYCMFI-JTQLQIEISA-N 0 1 177.251 1.633 10 0 ADAEMN c1c(C2CCC2)nc2n1CCCN2 259407706 351874228 /nfs/dbraw/zinc/87/42/28/351874228.db2.gz ZAUNPXNNPMCGOJ-UHFFFAOYSA-N 0 1 177.251 1.966 10 0 ADAEMN CC1(c2ncc(CN)o2)CC1 259447255 351874241 /nfs/dbraw/zinc/87/42/41/351874241.db2.gz VELGFERDFPGFRJ-UHFFFAOYSA-N 0 1 152.197 1.185 10 0 ADAEMN C[N@H+]1C[C@@H](CC(=O)[O-])CC1(C)C 259448621 351874254 /nfs/dbraw/zinc/87/42/54/351874254.db2.gz OZPMIYMVNYIZHK-ZETCQYMHSA-N 0 1 171.240 1.191 10 0 ADAEMN C[N@H+]1C[C@H](CC(=O)[O-])CC1(C)C 259448616 351874285 /nfs/dbraw/zinc/87/42/85/351874285.db2.gz OZPMIYMVNYIZHK-SSDOTTSWSA-N 0 1 171.240 1.191 10 0 ADAEMN NCc1cnc([C@H]2CCCOC2)o1 259538793 351876201 /nfs/dbraw/zinc/87/62/01/351876201.db2.gz BRCUPDNWZXXRNW-ZETCQYMHSA-N 0 1 182.223 1.027 10 0 ADAEMN NCc1nc([C@@H]2CCCO2)cs1 259551073 351876212 /nfs/dbraw/zinc/87/62/12/351876212.db2.gz CLSORJOUTCWHGZ-ZETCQYMHSA-N 0 1 184.264 1.453 10 0 ADAEMN NCc1nc([C@H]2CCCO2)cs1 259551067 351876217 /nfs/dbraw/zinc/87/62/17/351876217.db2.gz CLSORJOUTCWHGZ-SSDOTTSWSA-N 0 1 184.264 1.453 10 0 ADAEMN C[C@]1(c2ncc(CN)o2)CCCO1 259528258 351876229 /nfs/dbraw/zinc/87/62/29/351876229.db2.gz AXUFXQNZCJZNRR-SECBINFHSA-N 0 1 182.223 1.159 10 0 ADAEMN NCc1cnc([C@@H]2CCCOC2)o1 259538786 351876255 /nfs/dbraw/zinc/87/62/55/351876255.db2.gz BRCUPDNWZXXRNW-SSDOTTSWSA-N 0 1 182.223 1.027 10 0 ADAEMN C[C@@]1(c2ncc(CN)o2)CCCO1 259528282 351876332 /nfs/dbraw/zinc/87/63/32/351876332.db2.gz AXUFXQNZCJZNRR-VIFPVBQESA-N 0 1 182.223 1.159 10 0 ADAEMN C[N@H+]1CCc2ccccc2[C@H]1CO 259600833 351876592 /nfs/dbraw/zinc/87/65/92/351876592.db2.gz VHQBPVFGAGPVMF-LLVKDONJSA-N 0 1 177.247 1.208 10 0 ADAEMN C[N@H+]1CCc2ccccc2[C@@H]1CO 259600838 351876729 /nfs/dbraw/zinc/87/67/29/351876729.db2.gz VHQBPVFGAGPVMF-NSHDSACASA-N 0 1 177.247 1.208 10 0 ADAEMN Cc1nc(C2(C)CC2)oc1CN 259629082 351877349 /nfs/dbraw/zinc/87/73/49/351877349.db2.gz FUPNEGRAPUARJG-UHFFFAOYSA-N 0 1 166.224 1.493 10 0 ADAEMN NCc1cnc(C2CCOCC2)o1 259681035 351878133 /nfs/dbraw/zinc/87/81/33/351878133.db2.gz JETIGINKKRDCOJ-UHFFFAOYSA-N 0 1 182.223 1.027 10 0 ADAEMN NCc1cnc([C@H]2CCCCO2)o1 259710170 351878858 /nfs/dbraw/zinc/87/88/58/351878858.db2.gz LCLUEPVBXYQRKR-MRVPVSSYSA-N 0 1 182.223 1.375 10 0 ADAEMN NCc1cnc([C@@H]2CCCCO2)o1 259710190 351879165 /nfs/dbraw/zinc/87/91/65/351879165.db2.gz LCLUEPVBXYQRKR-QMMMGPOBSA-N 0 1 182.223 1.375 10 0 ADAEMN CC1(c2nnc(CN)[nH]2)CCCC1 259802677 351879878 /nfs/dbraw/zinc/87/98/78/351879878.db2.gz RZAUEXBHNCDCHZ-UHFFFAOYSA-N 0 1 180.255 1.095 10 0 ADAEMN Cc1nc([C@@H]2CCCO2)oc1CN 259831909 351880139 /nfs/dbraw/zinc/88/01/39/351880139.db2.gz UYZOQHWYXDZZST-ZETCQYMHSA-N 0 1 182.223 1.293 10 0 ADAEMN Cc1nc([C@H]2CCCO2)oc1CN 259831894 351880642 /nfs/dbraw/zinc/88/06/42/351880642.db2.gz UYZOQHWYXDZZST-SSDOTTSWSA-N 0 1 182.223 1.293 10 0 ADAEMN CCCc1ncc2c(n1)CNCC2 259821113 351880699 /nfs/dbraw/zinc/88/06/99/351880699.db2.gz TZQPJVGTYAXJJW-UHFFFAOYSA-N 0 1 177.251 1.075 10 0 ADAEMN CC1(c2ncc(CN)o2)CCCC1 259860659 351881432 /nfs/dbraw/zinc/88/14/32/351881432.db2.gz XATRURJSBFBKSL-UHFFFAOYSA-N 0 1 180.251 1.965 10 0 ADAEMN CCCN(C)[C@H]1C[C@H](C)OC1=O 306147638 351900112 /nfs/dbraw/zinc/90/01/12/351900112.db2.gz AIZDLSJBXRHZFC-YUMQZZPRSA-N 0 1 171.240 1.032 10 0 ADAEMN CCOC(=O)[C@@H]1CCCCCN1CC 260139534 351883252 /nfs/dbraw/zinc/88/32/52/351883252.db2.gz RQQKGHSDMIUUMW-JTQLQIEISA-N 0 1 199.294 1.814 10 0 ADAEMN CCOC(=O)[C@H]1CCCCCN1CC 260139538 351883470 /nfs/dbraw/zinc/88/34/70/351883470.db2.gz RQQKGHSDMIUUMW-SNVBAGLBSA-N 0 1 199.294 1.814 10 0 ADAEMN Cc1ncc2c(Cl)[nH]nc2n1 299890278 351893484 /nfs/dbraw/zinc/89/34/84/351893484.db2.gz XBMQWOPLSVRHAJ-UHFFFAOYSA-N 0 1 168.587 1.315 10 0 ADAEMN C[C@@H]1COCC[C@@H]1NCc1ccon1 300869745 351897738 /nfs/dbraw/zinc/89/77/38/351897738.db2.gz PJSMNHVFWGSBOT-SCZZXKLOSA-N 0 1 196.250 1.189 10 0 ADAEMN C[C@@H]1COCC[C@H]1NCc1ccon1 300869743 351897786 /nfs/dbraw/zinc/89/77/86/351897786.db2.gz PJSMNHVFWGSBOT-PSASIEDQSA-N 0 1 196.250 1.189 10 0 ADAEMN CCCN(C)[C@H]1C[C@@H](C)OC1=O 306147636 351899581 /nfs/dbraw/zinc/89/95/81/351899581.db2.gz AIZDLSJBXRHZFC-SFYZADRCSA-N 0 1 171.240 1.032 10 0 ADAEMN CCCN(C)[C@@H]1C[C@H](C)OC1=O 306147635 351899687 /nfs/dbraw/zinc/89/96/87/351899687.db2.gz AIZDLSJBXRHZFC-JGVFFNPUSA-N 0 1 171.240 1.032 10 0 ADAEMN CCCN(C)[C@@H]1C[C@@H](C)OC1=O 306147633 351900129 /nfs/dbraw/zinc/90/01/29/351900129.db2.gz AIZDLSJBXRHZFC-HTQZYQBOSA-N 0 1 171.240 1.032 10 0 ADAEMN O[C@@H]1CCCC[C@@H]1NCc1cocn1 306156224 351901506 /nfs/dbraw/zinc/90/15/06/351901506.db2.gz COVLAFMRRUWONO-VHSXEESVSA-N 0 1 196.250 1.068 10 0 ADAEMN CC1CCC(N)(c2nncs2)CC1 306155418 351901535 /nfs/dbraw/zinc/90/15/35/351901535.db2.gz BFHUWHAUSSTIAT-UHFFFAOYSA-N 0 1 197.307 1.902 10 0 ADAEMN Cc1cc(CN[C@@]2(C)CCOC2)on1 306163128 351903943 /nfs/dbraw/zinc/90/39/43/351903943.db2.gz NUZNCYCSJCWNAG-JTQLQIEISA-N 0 1 196.250 1.252 10 0 ADAEMN Cc1cc(CN[C@]2(C)CCOC2)on1 306163131 351904005 /nfs/dbraw/zinc/90/40/05/351904005.db2.gz 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/nfs/dbraw/zinc/26/21/85/352262185.db2.gz NMEMSBMCCDPGMQ-UHFFFAOYSA-N 0 1 192.975 1.084 10 0 ADAEMN NC1(c2ccsc2Cl)COC1 575465256 352262267 /nfs/dbraw/zinc/26/22/67/352262267.db2.gz DACXIEHBOUZZPA-UHFFFAOYSA-N 0 1 189.667 1.586 10 0 ADAEMN CC(F)(F)Cn1cc(O)cn1 575465250 352262396 /nfs/dbraw/zinc/26/23/96/352262396.db2.gz BQHAOASNIBKUQV-UHFFFAOYSA-N 0 1 162.139 1.244 10 0 ADAEMN c1cc(CNC2CCC2)ns1 575465324 352262500 /nfs/dbraw/zinc/26/25/00/352262500.db2.gz HDYDQZUWNSNPMA-UHFFFAOYSA-N 0 1 168.265 1.785 10 0 ADAEMN O=C1C=NN(C[C@@H]2CC2(F)F)C1 575465524 352262804 /nfs/dbraw/zinc/26/28/04/352262804.db2.gz CZSGPNLGGBMMAT-YFKPBYRVSA-N 0 1 174.150 1.244 10 0 ADAEMN Oc1cnn(C[C@@H]2CC2(F)F)c1 575465524 352262807 /nfs/dbraw/zinc/26/28/07/352262807.db2.gz CZSGPNLGGBMMAT-YFKPBYRVSA-N 0 1 174.150 1.244 10 0 ADAEMN O=C1C=NN(C[C@H]2CC2(F)F)C1 575465523 352263139 /nfs/dbraw/zinc/26/31/39/352263139.db2.gz CZSGPNLGGBMMAT-RXMQYKEDSA-N 0 1 174.150 1.244 10 0 ADAEMN Oc1cnn(C[C@H]2CC2(F)F)c1 575465523 352263142 /nfs/dbraw/zinc/26/31/42/352263142.db2.gz CZSGPNLGGBMMAT-RXMQYKEDSA-N 0 1 174.150 1.244 10 0 ADAEMN C[C@@H]1CC[C@@](N)(c2ccsn2)CO1 575465540 352263479 /nfs/dbraw/zinc/26/34/79/352263479.db2.gz ZWGJXWMRMYTNHI-APPZFPTMSA-N 0 1 198.291 1.496 10 0 ADAEMN C[C@H]1CC[C@@](N)(c2ccsn2)CO1 575465552 352263933 /nfs/dbraw/zinc/26/39/33/352263933.db2.gz ZWGJXWMRMYTNHI-CBAPKCEASA-N 0 1 198.291 1.496 10 0 ADAEMN C[C@H]1CC[C@](N)(c2ccsn2)CO1 575465559 352263986 /nfs/dbraw/zinc/26/39/86/352263986.db2.gz ZWGJXWMRMYTNHI-IONNQARKSA-N 0 1 198.291 1.496 10 0 ADAEMN C[C@@H]1CC[C@](N)(c2ccsn2)CO1 575465565 352264037 /nfs/dbraw/zinc/26/40/37/352264037.db2.gz ZWGJXWMRMYTNHI-VXNVDRBHSA-N 0 1 198.291 1.496 10 0 ADAEMN c1cc2c(o1)[C@@]1(CCSC1)NCC2 575465704 352264588 /nfs/dbraw/zinc/26/45/88/352264588.db2.gz NMRYCYBOGIQASP-JTQLQIEISA-N 0 1 195.287 1.758 10 0 ADAEMN c1cc2c(o1)[C@]1(CCSC1)NCC2 575465706 352264594 /nfs/dbraw/zinc/26/45/94/352264594.db2.gz NMRYCYBOGIQASP-SNVBAGLBSA-N 0 1 195.287 1.758 10 0 ADAEMN Cc1ncc([C@@H](N)c2cn[nH]c2)s1 575465945 352265286 /nfs/dbraw/zinc/26/52/86/352265286.db2.gz LSBKUETZSKYBQQ-QMMMGPOBSA-N 0 1 194.263 1.223 10 0 ADAEMN Cc1ncc([C@H](N)c2cn[nH]c2)s1 575465944 352265447 /nfs/dbraw/zinc/26/54/47/352265447.db2.gz LSBKUETZSKYBQQ-MRVPVSSYSA-N 0 1 194.263 1.223 10 0 ADAEMN Nc1nc(-c2cncc(F)c2)ns1 575466675 352267290 /nfs/dbraw/zinc/26/72/90/352267290.db2.gz FRTPIIJAODKQIP-UHFFFAOYSA-N 0 1 196.210 1.152 10 0 ADAEMN N#CNc1ccc(Cl)c(O)c1 575466802 352268395 /nfs/dbraw/zinc/26/83/95/352268395.db2.gz FOFVTTJRDMKERE-UHFFFAOYSA-N 0 1 168.583 1.939 10 0 ADAEMN CC1(C)C[C@](N)(c2ccsn2)CO1 575466996 352269046 /nfs/dbraw/zinc/26/90/46/352269046.db2.gz JHFPSTXUNCELTJ-SECBINFHSA-N 0 1 198.291 1.496 10 0 ADAEMN CC1(C)C[C@@](N)(c2ccsn2)CO1 575466998 352269066 /nfs/dbraw/zinc/26/90/66/352269066.db2.gz JHFPSTXUNCELTJ-VIFPVBQESA-N 0 1 198.291 1.496 10 0 ADAEMN CCC(F)(F)c1n[nH]c(=O)o1 575467491 352271122 /nfs/dbraw/zinc/27/11/22/352271122.db2.gz AONRNHZORRNSMR-UHFFFAOYSA-N 0 1 164.111 1.277 10 0 ADAEMN CC1([N@H+]2CC[C@@H]2C(=O)[O-])CC=CC1 575468000 352272473 /nfs/dbraw/zinc/27/24/73/352272473.db2.gz MIHPCOXQJARNDJ-MRVPVSSYSA-N 0 1 181.235 1.254 10 0 ADAEMN CC1([N@H+]2CC[C@H]2C(=O)[O-])CC=CC1 575468001 352272876 /nfs/dbraw/zinc/27/28/76/352272876.db2.gz MIHPCOXQJARNDJ-QMMMGPOBSA-N 0 1 181.235 1.254 10 0 ADAEMN CC1=NC[C@](C)(C(F)(F)F)N1 575468086 352273600 /nfs/dbraw/zinc/27/36/00/352273600.db2.gz KCMKEWYLQWSVED-RXMQYKEDSA-N 0 1 166.146 1.329 10 0 ADAEMN CC1=NC[C@@](C)(C(F)(F)F)N1 575468087 352273629 /nfs/dbraw/zinc/27/36/29/352273629.db2.gz KCMKEWYLQWSVED-YFKPBYRVSA-N 0 1 166.146 1.329 10 0 ADAEMN C[C@H](N)c1nc([C@H](C)O)cs1 575486690 352338411 /nfs/dbraw/zinc/33/84/11/352338411.db2.gz GMWQRCJWGDXGTB-WHFBIAKZSA-N 0 1 172.253 1.216 10 0 ADAEMN Cc1ccc(CN(C)C)c(N)n1 575468474 352275043 /nfs/dbraw/zinc/27/50/43/352275043.db2.gz SAGNHHFDQVXTJL-UHFFFAOYSA-N 0 1 165.240 1.034 10 0 ADAEMN Cc1cc(-c2ncc(CN)o2)on1 575468357 352275072 /nfs/dbraw/zinc/27/50/72/352275072.db2.gz KFXCRLZCQNVILB-UHFFFAOYSA-N 0 1 179.179 1.097 10 0 ADAEMN Cn1cnc([C@H]2C[C@@H]3C[C@@H]3C2)c1N 575469149 352277814 /nfs/dbraw/zinc/27/78/14/352277814.db2.gz WRDUTYIWJOSOMC-RNLVFQAGSA-N 0 1 177.251 1.516 10 0 ADAEMN c1nc(=NCc2ccsn2)s[nH]1 575469191 352278711 /nfs/dbraw/zinc/27/87/11/352278711.db2.gz KRKOZUSJNVWWDN-UHFFFAOYSA-N 0 1 198.276 1.029 10 0 ADAEMN O=C1CC[C@@H](N2CC(C(F)F)C2)C1 575469371 352279197 /nfs/dbraw/zinc/27/91/97/352279197.db2.gz NIARWHIZCYHVOM-SSDOTTSWSA-N 0 1 189.205 1.305 10 0 ADAEMN O=C1CC[C@H](N2CC(C(F)F)C2)C1 575469373 352279522 /nfs/dbraw/zinc/27/95/22/352279522.db2.gz NIARWHIZCYHVOM-ZETCQYMHSA-N 0 1 189.205 1.305 10 0 ADAEMN C[C@H](NC1COC1)C1(Cl)CC1 575469670 352280371 /nfs/dbraw/zinc/28/03/71/352280371.db2.gz MFALMNOJEZUFAF-LURJTMIESA-N 0 1 175.659 1.135 10 0 ADAEMN C[C@@H](NC1COC1)C1(Cl)CC1 575469671 352280492 /nfs/dbraw/zinc/28/04/92/352280492.db2.gz MFALMNOJEZUFAF-ZCFIWIBFSA-N 0 1 175.659 1.135 10 0 ADAEMN CC(=O)C[N@H+]1CCC12CCCCC2 575470025 352281782 /nfs/dbraw/zinc/28/17/82/352281782.db2.gz SZCXRCZNYIKTEZ-UHFFFAOYSA-N 0 1 181.279 1.984 10 0 ADAEMN CCc1n[nH]c(-c2ccsn2)n1 575470171 352282320 /nfs/dbraw/zinc/28/23/20/352282320.db2.gz QVADFGABVGEOKD-UHFFFAOYSA-N 0 1 180.236 1.491 10 0 ADAEMN Cc1ncc([C@H](N)[C@H]2CCCO2)s1 575470408 352282745 /nfs/dbraw/zinc/28/27/45/352282745.db2.gz XYQGPFHWNRGLLU-VXNVDRBHSA-N 0 1 198.291 1.630 10 0 ADAEMN Cc1ncc([C@@H](N)[C@@H]2CCCO2)s1 575470406 352283035 /nfs/dbraw/zinc/28/30/35/352283035.db2.gz XYQGPFHWNRGLLU-CBAPKCEASA-N 0 1 198.291 1.630 10 0 ADAEMN Cc1ncc([C@H](N)[C@@H]2CCCO2)s1 575470407 352283112 /nfs/dbraw/zinc/28/31/12/352283112.db2.gz XYQGPFHWNRGLLU-IONNQARKSA-N 0 1 198.291 1.630 10 0 ADAEMN Cc1ncc([C@@H](N)[C@H]2CCCO2)s1 575470405 352283201 /nfs/dbraw/zinc/28/32/01/352283201.db2.gz XYQGPFHWNRGLLU-APPZFPTMSA-N 0 1 198.291 1.630 10 0 ADAEMN Cc1[nH]ncc1CNc1cnsc1 575470471 352283455 /nfs/dbraw/zinc/28/34/55/352283455.db2.gz OKIWSXQYDRXMHV-UHFFFAOYSA-N 0 1 194.263 1.787 10 0 ADAEMN C[N@H+]1CC[C@H](c2nc(=S)o[n-]2)C1 575470777 352284911 /nfs/dbraw/zinc/28/49/11/352284911.db2.gz NPDASTNJMPUKLZ-YFKPBYRVSA-N 0 1 185.252 1.151 10 0 ADAEMN NCc1nscc1Cl 575470768 352284924 /nfs/dbraw/zinc/28/49/24/352284924.db2.gz KTXGKEYDIWHERP-UHFFFAOYSA-N 0 1 148.618 1.255 10 0 ADAEMN C[N@H+]1CC[C@@H](c2nc(=S)o[n-]2)C1 575470776 352284932 /nfs/dbraw/zinc/28/49/32/352284932.db2.gz NPDASTNJMPUKLZ-RXMQYKEDSA-N 0 1 185.252 1.151 10 0 ADAEMN Cc1ncsc1[C@@H](N)c1cn[nH]c1 575471881 352288008 /nfs/dbraw/zinc/28/80/08/352288008.db2.gz XBRYLWBMJFTDKF-ZETCQYMHSA-N 0 1 194.263 1.223 10 0 ADAEMN Cc1ncsc1[C@H](N)c1cn[nH]c1 575471880 352288226 /nfs/dbraw/zinc/28/82/26/352288226.db2.gz XBRYLWBMJFTDKF-SSDOTTSWSA-N 0 1 194.263 1.223 10 0 ADAEMN O[C@@H]1CC[C@H]1NCC=C(Cl)Cl 575471996 352288639 /nfs/dbraw/zinc/28/86/39/352288639.db2.gz BEQCLPQYGVWUHR-PHDIDXHHSA-N 0 1 196.077 1.418 10 0 ADAEMN CN1CC[C@@H](c2nccc(Cl)n2)C1 575471989 352288792 /nfs/dbraw/zinc/28/87/92/352288792.db2.gz YZSKXZBSRNQAEU-SSDOTTSWSA-N 0 1 197.669 1.549 10 0 ADAEMN N[C@@H](C1=COCC1)c1ccns1 575472067 352288951 /nfs/dbraw/zinc/28/89/51/352288951.db2.gz IMLYIFDRLVXHQJ-QMMMGPOBSA-N 0 1 182.248 1.447 10 0 ADAEMN CN1CC[C@H](c2nccc(Cl)n2)C1 575471990 352289016 /nfs/dbraw/zinc/28/90/16/352289016.db2.gz YZSKXZBSRNQAEU-ZETCQYMHSA-N 0 1 197.669 1.549 10 0 ADAEMN N[C@H](C1=COCC1)c1ccns1 575472066 352289037 /nfs/dbraw/zinc/28/90/37/352289037.db2.gz IMLYIFDRLVXHQJ-MRVPVSSYSA-N 0 1 182.248 1.447 10 0 ADAEMN Cc1cnccc1-n1nccc1N 575472197 352289568 /nfs/dbraw/zinc/28/95/68/352289568.db2.gz GAXZRSGHKOHTMD-UHFFFAOYSA-N 0 1 174.207 1.158 10 0 ADAEMN CC1(C)C[C@H]1[C@@H](N)C(F)F 575476454 352293707 /nfs/dbraw/zinc/29/37/07/352293707.db2.gz BZRQGYWMUDBCDG-CRCLSJGQSA-N 0 1 149.184 1.625 10 0 ADAEMN CN[C@H](C(F)F)[C@H]1CC1(C)C 575476460 352293739 /nfs/dbraw/zinc/29/37/39/352293739.db2.gz CSRQMLVPZCTINC-RITPCOANSA-N 0 1 163.211 1.886 10 0 ADAEMN CN[C@H](C(F)F)[C@@H]1CC1(C)C 575476461 352293789 /nfs/dbraw/zinc/29/37/89/352293789.db2.gz CSRQMLVPZCTINC-WDSKDSINSA-N 0 1 163.211 1.886 10 0 ADAEMN CC1(C)C[C@@H]1[C@@H](N)C(F)F 575476455 352293807 /nfs/dbraw/zinc/29/38/07/352293807.db2.gz BZRQGYWMUDBCDG-RFZPGFLSSA-N 0 1 149.184 1.625 10 0 ADAEMN CC1(C)C[C@@H]1[C@H](N)C(F)F 575476456 352293818 /nfs/dbraw/zinc/29/38/18/352293818.db2.gz BZRQGYWMUDBCDG-UHNVWZDZSA-N 0 1 149.184 1.625 10 0 ADAEMN CC1(C)C[C@H]1[C@H](N)C(F)F 575476457 352293900 /nfs/dbraw/zinc/29/39/00/352293900.db2.gz BZRQGYWMUDBCDG-WHFBIAKZSA-N 0 1 149.184 1.625 10 0 ADAEMN CN[C@@H](C(F)F)[C@H]1CC1(C)C 575476459 352293909 /nfs/dbraw/zinc/29/39/09/352293909.db2.gz CSRQMLVPZCTINC-PHDIDXHHSA-N 0 1 163.211 1.886 10 0 ADAEMN CN[C@@H](C(F)F)[C@@H]1CC1(C)C 575476458 352294021 /nfs/dbraw/zinc/29/40/21/352294021.db2.gz CSRQMLVPZCTINC-NTSWFWBYSA-N 0 1 163.211 1.886 10 0 ADAEMN C/C(C(=O)[O-])=C1\C[N@H+](C)C(C)(C)C1 575478297 352294688 /nfs/dbraw/zinc/29/46/88/352294688.db2.gz APYGCNKFWMYYPU-BQYQJAHWSA-N 0 1 183.251 1.502 10 0 ADAEMN N=C(NO)c1cc(N)ccc1Cl 575478273 352294788 /nfs/dbraw/zinc/29/47/88/352294788.db2.gz YLAHTKVNOOKXDX-UHFFFAOYSA-N 0 1 185.614 1.226 10 0 ADAEMN C/C(C(=O)[O-])=C1/C[N@H+](C)C(C)(C)C1 575478298 352294906 /nfs/dbraw/zinc/29/49/06/352294906.db2.gz APYGCNKFWMYYPU-FPLPWBNLSA-N 0 1 183.251 1.502 10 0 ADAEMN C[N@H+]1C/C(=C\C(=O)[O-])CC1(C)C 575478472 352295403 /nfs/dbraw/zinc/29/54/03/352295403.db2.gz GSCPQBSJIVDJOL-DAXSKMNVSA-N 0 1 169.224 1.112 10 0 ADAEMN C[C@H]1CC[C@H](c2ncc(CN)o2)O1 575478400 352295418 /nfs/dbraw/zinc/29/54/18/352295418.db2.gz CYJCSMJXMAITAT-POYBYMJQSA-N 0 1 182.223 1.373 10 0 ADAEMN C[N@H+]1C/C(=C(/F)C(=O)[O-])CC1(C)C 575478443 352295450 /nfs/dbraw/zinc/29/54/50/352295450.db2.gz GARJWQYWMIAIBQ-VOTSOKGWSA-N 0 1 187.214 1.409 10 0 ADAEMN C[N@H+]1C[C@@H]([C@@H](F)C(=O)[O-])CC1(C)C 575478464 352295485 /nfs/dbraw/zinc/29/54/85/352295485.db2.gz GNRFLESPFOKKGS-NKWVEPMBSA-N 0 1 189.230 1.139 10 0 ADAEMN C[C@@H](C(=O)[O-])[C@@H]1C[N@@H+](C)C(C)(C)C1 575478533 352296072 /nfs/dbraw/zinc/29/60/72/352296072.db2.gz HIIGVCOKBTXMSR-SFYZADRCSA-N 0 1 185.267 1.437 10 0 ADAEMN CC(F)(F)CNC1=NCCS1 575478544 352296187 /nfs/dbraw/zinc/29/61/87/352296187.db2.gz BGHVRUQNNDIQHG-UHFFFAOYSA-N 0 1 180.223 1.334 10 0 ADAEMN C[C@@H](C(=O)[O-])[C@H]1C[N@@H+](C)C(C)(C)C1 575478515 352296228 /nfs/dbraw/zinc/29/62/28/352296228.db2.gz HIIGVCOKBTXMSR-HTQZYQBOSA-N 0 1 185.267 1.437 10 0 ADAEMN C[C@H](C(=O)[O-])[C@H]1C[N@@H+](C)C(C)(C)C1 575478532 352296243 /nfs/dbraw/zinc/29/62/43/352296243.db2.gz HIIGVCOKBTXMSR-JGVFFNPUSA-N 0 1 185.267 1.437 10 0 ADAEMN c1nc(=N[C@]23CCCC[C@H]2C3)s[nH]1 575478960 352298096 /nfs/dbraw/zinc/29/80/96/352298096.db2.gz DKPIYCIZKCTYPB-CBAPKCEASA-N 0 1 195.291 1.705 10 0 ADAEMN c1nc(=N[C@@]23CCCC[C@@H]2C3)s[nH]1 575478964 352298204 /nfs/dbraw/zinc/29/82/04/352298204.db2.gz DKPIYCIZKCTYPB-VXNVDRBHSA-N 0 1 195.291 1.705 10 0 ADAEMN Cc1csc2c1NC(=O)C(C)C2=O 575479145 352298816 /nfs/dbraw/zinc/29/88/16/352298816.db2.gz 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/nfs/dbraw/zinc/60/19/58/352601958.db2.gz BEQCLPQYGVWUHR-WDSKDSINSA-N 0 1 196.077 1.418 10 0 ADAEMN CN[C@@H](C(F)F)[C@@H]1CC12CC2 575540125 352602012 /nfs/dbraw/zinc/60/20/12/352602012.db2.gz CCVFUBYWYDKJMI-NTSWFWBYSA-N 0 1 161.195 1.640 10 0 ADAEMN C[C@H](N)c1cc([C@H]2C[C@H]2C)no1 575540132 352602069 /nfs/dbraw/zinc/60/20/69/352602069.db2.gz CGRAJIXAPMLBGI-VQVTYTSYSA-N 0 1 166.224 1.818 10 0 ADAEMN C[C@H](N)c1cc([C@@H]2C[C@@H]2C)no1 575540131 352602085 /nfs/dbraw/zinc/60/20/85/352602085.db2.gz CGRAJIXAPMLBGI-LYFYHCNISA-N 0 1 166.224 1.818 10 0 ADAEMN O[C@H]1CC[C@H]1NCC=C(Cl)Cl 575539999 352602107 /nfs/dbraw/zinc/60/21/07/352602107.db2.gz BEQCLPQYGVWUHR-RITPCOANSA-N 0 1 196.077 1.418 10 0 ADAEMN O[C@@H]1CC[C@@H]1NCC=C(Cl)Cl 575539998 352602177 /nfs/dbraw/zinc/60/21/77/352602177.db2.gz BEQCLPQYGVWUHR-NTSWFWBYSA-N 0 1 196.077 1.418 10 0 ADAEMN CN[C@@H](C(F)F)[C@H]1CC12CC2 575540126 352602187 /nfs/dbraw/zinc/60/21/87/352602187.db2.gz CCVFUBYWYDKJMI-PHDIDXHHSA-N 0 1 161.195 1.640 10 0 ADAEMN CN[C@H](C(F)F)[C@H]1CC12CC2 575540127 352602222 /nfs/dbraw/zinc/60/22/22/352602222.db2.gz CCVFUBYWYDKJMI-RITPCOANSA-N 0 1 161.195 1.640 10 0 ADAEMN C[C@H](N)c1cc([C@@H]2C[C@H]2C)no1 575540130 352602227 /nfs/dbraw/zinc/60/22/27/352602227.db2.gz CGRAJIXAPMLBGI-DSYKOEDSSA-N 0 1 166.224 1.818 10 0 ADAEMN CN[C@H](C(F)F)[C@@H]1CC12CC2 575540128 352602298 /nfs/dbraw/zinc/60/22/98/352602298.db2.gz CCVFUBYWYDKJMI-WDSKDSINSA-N 0 1 161.195 1.640 10 0 ADAEMN C[C@H](N)c1cc([C@H]2C[C@@H]2C)no1 575540129 352602324 /nfs/dbraw/zinc/60/23/24/352602324.db2.gz CGRAJIXAPMLBGI-ACZMJKKPSA-N 0 1 166.224 1.818 10 0 ADAEMN CCc1nc([C@@]23CCC[C@@H]2C3)n[nH]1 575540780 352605134 /nfs/dbraw/zinc/60/51/34/352605134.db2.gz UEFHIOWBWDJAHT-GMSGAONNSA-N 0 1 177.251 1.809 10 0 ADAEMN CCc1n[nH]c([C@@]23CCC[C@@H]2C3)n1 575540780 352605136 /nfs/dbraw/zinc/60/51/36/352605136.db2.gz UEFHIOWBWDJAHT-GMSGAONNSA-N 0 1 177.251 1.809 10 0 ADAEMN CCc1nc([C@]23CCC[C@H]2C3)n[nH]1 575540783 352605178 /nfs/dbraw/zinc/60/51/78/352605178.db2.gz UEFHIOWBWDJAHT-XVKPBYJWSA-N 0 1 177.251 1.809 10 0 ADAEMN CCc1n[nH]c([C@]23CCC[C@H]2C3)n1 575540783 352605181 /nfs/dbraw/zinc/60/51/81/352605181.db2.gz UEFHIOWBWDJAHT-XVKPBYJWSA-N 0 1 177.251 1.809 10 0 ADAEMN Cc1nnc(C2CC(C)C2)[nH]1 575540902 352605917 /nfs/dbraw/zinc/60/59/17/352605917.db2.gz HGXGTSXHTCWQFJ-UHFFFAOYSA-N 0 1 151.213 1.627 10 0 ADAEMN Cc1n[nH]c(C2CC(C)C2)n1 575540902 352605914 /nfs/dbraw/zinc/60/59/14/352605914.db2.gz HGXGTSXHTCWQFJ-UHFFFAOYSA-N 0 1 151.213 1.627 10 0 ADAEMN NCc1cc([C@H]2CC23CC3)no1 575541827 352608854 /nfs/dbraw/zinc/60/88/54/352608854.db2.gz LXENKWFZLPTAPV-SSDOTTSWSA-N 0 1 164.208 1.401 10 0 ADAEMN NCc1cc([C@@H]2CC23CC3)no1 575541829 352609088 /nfs/dbraw/zinc/60/90/88/352609088.db2.gz LXENKWFZLPTAPV-ZETCQYMHSA-N 0 1 164.208 1.401 10 0 ADAEMN N[C@H](C(F)F)[C@@H]1CC12CC2 575542491 352610835 /nfs/dbraw/zinc/61/08/35/352610835.db2.gz PBENETMAEVUASP-WHFBIAKZSA-N 0 1 147.168 1.379 10 0 ADAEMN N[C@@H](C(F)F)[C@H]1CC12CC2 575542487 352610895 /nfs/dbraw/zinc/61/08/95/352610895.db2.gz PBENETMAEVUASP-RFZPGFLSSA-N 0 1 147.168 1.379 10 0 ADAEMN N[C@@H](C(F)F)[C@@H]1CC12CC2 575542485 352610904 /nfs/dbraw/zinc/61/09/04/352610904.db2.gz PBENETMAEVUASP-CRCLSJGQSA-N 0 1 147.168 1.379 10 0 ADAEMN N[C@H](C(F)F)[C@H]1CC12CC2 575542489 352610910 /nfs/dbraw/zinc/61/09/10/352610910.db2.gz PBENETMAEVUASP-UHNVWZDZSA-N 0 1 147.168 1.379 10 0 ADAEMN CCc1nc([C@H]2COC[C@H]2C)n[nH]1 575542683 352611636 /nfs/dbraw/zinc/61/16/36/352611636.db2.gz VFNPFHYHVLNHAI-RQJHMYQMSA-N 0 1 181.239 1.117 10 0 ADAEMN CC1=NC(=S)N([C@@H]2COC[C@H]2C)C1 575542649 352611661 /nfs/dbraw/zinc/61/16/61/352611661.db2.gz UNNLMLFEJNDHIH-HTRCEHHLSA-N 0 1 198.291 1.688 10 0 ADAEMN CC1=NC(=S)N([C@H]2COC[C@@H]2C)C1 575542652 352611431 /nfs/dbraw/zinc/61/14/31/352611431.db2.gz UNNLMLFEJNDHIH-XPUUQOCRSA-N 0 1 198.291 1.688 10 0 ADAEMN CC1=NC(=S)N([C@@H]2COC[C@@H]2C)C1 575542650 352611454 /nfs/dbraw/zinc/61/14/54/352611454.db2.gz UNNLMLFEJNDHIH-POYBYMJQSA-N 0 1 198.291 1.688 10 0 ADAEMN CCc1n[nH]c([C@H]2COC[C@@H]2C)n1 575542676 352611467 /nfs/dbraw/zinc/61/14/67/352611467.db2.gz VFNPFHYHVLNHAI-BQBZGAKWSA-N 0 1 181.239 1.117 10 0 ADAEMN CCc1nc([C@H]2COC[C@@H]2C)n[nH]1 575542676 352611470 /nfs/dbraw/zinc/61/14/70/352611470.db2.gz VFNPFHYHVLNHAI-BQBZGAKWSA-N 0 1 181.239 1.117 10 0 ADAEMN CCc1n[nH]c([C@@H]2COC[C@@H]2C)n1 575542678 352611573 /nfs/dbraw/zinc/61/15/73/352611573.db2.gz VFNPFHYHVLNHAI-NKWVEPMBSA-N 0 1 181.239 1.117 10 0 ADAEMN CCc1nc([C@@H]2COC[C@@H]2C)n[nH]1 575542678 352611576 /nfs/dbraw/zinc/61/15/76/352611576.db2.gz VFNPFHYHVLNHAI-NKWVEPMBSA-N 0 1 181.239 1.117 10 0 ADAEMN CC1=NC(=S)N([C@H]2COC[C@H]2C)C1 575542651 352611631 /nfs/dbraw/zinc/61/16/31/352611631.db2.gz UNNLMLFEJNDHIH-SVRRBLITSA-N 0 1 198.291 1.688 10 0 ADAEMN CCc1n[nH]c([C@H]2COC[C@H]2C)n1 575542683 352611634 /nfs/dbraw/zinc/61/16/34/352611634.db2.gz VFNPFHYHVLNHAI-RQJHMYQMSA-N 0 1 181.239 1.117 10 0 ADAEMN CCc1n[nH]c([C@@H]2COC[C@H]2C)n1 575542681 352611649 /nfs/dbraw/zinc/61/16/49/352611649.db2.gz VFNPFHYHVLNHAI-RNFRBKRXSA-N 0 1 181.239 1.117 10 0 ADAEMN CCc1nc([C@@H]2COC[C@H]2C)n[nH]1 575542681 352611650 /nfs/dbraw/zinc/61/16/50/352611650.db2.gz VFNPFHYHVLNHAI-RNFRBKRXSA-N 0 1 181.239 1.117 10 0 ADAEMN C[C@@H](N)c1cc([C@@H]2CC23CC3)no1 575543016 352612629 /nfs/dbraw/zinc/61/26/29/352612629.db2.gz SXGJTDMUSHZBCC-RQJHMYQMSA-N 0 1 178.235 1.962 10 0 ADAEMN C[C@@H](N)c1cc([C@H]2CC23CC3)no1 575543015 352612727 /nfs/dbraw/zinc/61/27/27/352612727.db2.gz SXGJTDMUSHZBCC-RNFRBKRXSA-N 0 1 178.235 1.962 10 0 ADAEMN C[C@H](N)c1cc([C@@H]2CC23CC3)no1 575543013 352612739 /nfs/dbraw/zinc/61/27/39/352612739.db2.gz SXGJTDMUSHZBCC-BQBZGAKWSA-N 0 1 178.235 1.962 10 0 ADAEMN C[C@H](N)c1cc([C@H]2CC23CC3)no1 575543014 352612877 /nfs/dbraw/zinc/61/28/77/352612877.db2.gz SXGJTDMUSHZBCC-NKWVEPMBSA-N 0 1 178.235 1.962 10 0 ADAEMN C[C@H]1C[C@@H]1c1cc(CN)on1 575543192 352613353 /nfs/dbraw/zinc/61/33/53/352613353.db2.gz VAFDSSRTAKGLMQ-FSPLSTOPSA-N 0 1 152.197 1.257 10 0 ADAEMN C[C@H]1C[C@H]1c1cc(CN)on1 575543191 352613420 /nfs/dbraw/zinc/61/34/20/352613420.db2.gz VAFDSSRTAKGLMQ-CAHLUQPWSA-N 0 1 152.197 1.257 10 0 ADAEMN C[C@@H]1C[C@H]1c1cc(CN)on1 575543193 352613537 /nfs/dbraw/zinc/61/35/37/352613537.db2.gz VAFDSSRTAKGLMQ-IYSWYEEDSA-N 0 1 152.197 1.257 10 0 ADAEMN C[C@@H]1C[C@@H]1c1cc(CN)on1 575543194 352614147 /nfs/dbraw/zinc/61/41/47/352614147.db2.gz VAFDSSRTAKGLMQ-VDTYLAMSSA-N 0 1 152.197 1.257 10 0 ADAEMN C[C@@H](N=c1nc[nH]s1)C1(C)CC1 575543408 352614840 /nfs/dbraw/zinc/61/48/40/352614840.db2.gz PFFQIDKRYGXVQA-ZCFIWIBFSA-N 0 1 183.280 1.561 10 0 ADAEMN C[C@H](N=c1nc[nH]s1)C1(C)CC1 575543407 352615031 /nfs/dbraw/zinc/61/50/31/352615031.db2.gz PFFQIDKRYGXVQA-LURJTMIESA-N 0 1 183.280 1.561 10 0 ADAEMN N[C@@]1(C(F)F)CCCC12CC2 575543858 352615847 /nfs/dbraw/zinc/61/58/47/352615847.db2.gz BKJIPVSYOFNVDZ-MRVPVSSYSA-N 0 1 161.195 1.913 10 0 ADAEMN C[N@@H+]1CCC[C@@H]1c1nc(=S)o[n-]1 575543723 352616127 /nfs/dbraw/zinc/61/61/27/352616127.db2.gz CXBIYJKMZOYMOV-RXMQYKEDSA-N 0 1 185.252 1.499 10 0 ADAEMN C[N@H+]1CCC[C@@H]1c1nc(=S)o[n-]1 575543723 352616130 /nfs/dbraw/zinc/61/61/30/352616130.db2.gz CXBIYJKMZOYMOV-RXMQYKEDSA-N 0 1 185.252 1.499 10 0 ADAEMN C[N@@H+]1CCC[C@H]1c1nc(=S)o[n-]1 575543724 352616182 /nfs/dbraw/zinc/61/61/82/352616182.db2.gz CXBIYJKMZOYMOV-YFKPBYRVSA-N 0 1 185.252 1.499 10 0 ADAEMN C[N@H+]1CCC[C@H]1c1nc(=S)o[n-]1 575543724 352616184 /nfs/dbraw/zinc/61/61/84/352616184.db2.gz CXBIYJKMZOYMOV-YFKPBYRVSA-N 0 1 185.252 1.499 10 0 ADAEMN N[C@]1(C(F)F)CCCC12CC2 575543859 352616687 /nfs/dbraw/zinc/61/66/87/352616687.db2.gz BKJIPVSYOFNVDZ-QMMMGPOBSA-N 0 1 161.195 1.913 10 0 ADAEMN NCC(=O)[C@H]1CCCC12CC2 575544332 352617256 /nfs/dbraw/zinc/61/72/56/352617256.db2.gz DCVBPNFIYHJIQC-SSDOTTSWSA-N 0 1 153.225 1.095 10 0 ADAEMN CC1(C)C[C@@]1(C)N=c1nc[nH]s1 575544198 352617401 /nfs/dbraw/zinc/61/74/01/352617401.db2.gz GBWWLUAEVCQETI-MRVPVSSYSA-N 0 1 183.280 1.561 10 0 ADAEMN NCC(=O)[C@@H]1CCCC12CC2 575544334 352617428 /nfs/dbraw/zinc/61/74/28/352617428.db2.gz DCVBPNFIYHJIQC-ZETCQYMHSA-N 0 1 153.225 1.095 10 0 ADAEMN CC1(C)C[C@]1(C)N=c1nc[nH]s1 575544201 352617575 /nfs/dbraw/zinc/61/75/75/352617575.db2.gz GBWWLUAEVCQETI-QMMMGPOBSA-N 0 1 183.280 1.561 10 0 ADAEMN N[C@H](c1ncon1)[C@H]1C[C@@H]2C[C@@H]2C1 575545041 352620759 /nfs/dbraw/zinc/62/07/59/352620759.db2.gz MWJQRLIGPGOMPN-YWIQKCBGSA-N 0 1 179.223 1.116 10 0 ADAEMN N[C@@H](c1ncon1)[C@H]1C[C@@H]2C[C@@H]2C1 575545040 352620928 /nfs/dbraw/zinc/62/09/28/352620928.db2.gz MWJQRLIGPGOMPN-ULAWRXDQSA-N 0 1 179.223 1.116 10 0 ADAEMN C/C=C/[C@H](N)c1ccc(C)nn1 575545344 352621276 /nfs/dbraw/zinc/62/12/76/352621276.db2.gz KRRHYYDOBDNVAD-RTMURIBGSA-N 0 1 163.224 1.361 10 0 ADAEMN C/C=C/[C@@H](N)c1ccc(C)nn1 575545333 352621583 /nfs/dbraw/zinc/62/15/83/352621583.db2.gz KRRHYYDOBDNVAD-MPJRPATESA-N 0 1 163.224 1.361 10 0 ADAEMN C/C=C/[C@H](N)c1ccsn1 575545949 352623610 /nfs/dbraw/zinc/62/36/10/352623610.db2.gz OQUCUEZWJONDFT-SZKDQXIBSA-N 0 1 154.238 1.719 10 0 ADAEMN C/C=C/[C@@H](NC)c1ccns1 575546023 352624017 /nfs/dbraw/zinc/62/40/17/352624017.db2.gz PAUTWNSBOFJKDE-KGGZQZJCSA-N 0 1 168.265 1.980 10 0 ADAEMN C/C=C/[C@H](NC)c1ccns1 575546026 352624144 /nfs/dbraw/zinc/62/41/44/352624144.db2.gz PAUTWNSBOFJKDE-SDLBARTOSA-N 0 1 168.265 1.980 10 0 ADAEMN C[C@@H]1C[S@](=O)[C@H]2CCC3(CC3)[C@@H]2N1 575546435 352625518 /nfs/dbraw/zinc/62/55/18/352625518.db2.gz SQEMPNYPROWKPQ-VXFNFUGZSA-N 0 1 199.319 1.038 10 0 ADAEMN C[C@@H]1C[S@](=O)[C@@H]2CCC3(CC3)[C@@H]2N1 575546430 352625574 /nfs/dbraw/zinc/62/55/74/352625574.db2.gz SQEMPNYPROWKPQ-LHGDZMGGSA-N 0 1 199.319 1.038 10 0 ADAEMN C[C@@H]1C[S@](=O)[C@@H]2CCC3(CC3)[C@H]2N1 575546432 352625637 /nfs/dbraw/zinc/62/56/37/352625637.db2.gz SQEMPNYPROWKPQ-SKNMHBRKSA-N 0 1 199.319 1.038 10 0 ADAEMN C[C@@H]1C[S@](=O)[C@H]2CCC3(CC3)[C@H]2N1 575546431 352625709 /nfs/dbraw/zinc/62/57/09/352625709.db2.gz 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352628634 /nfs/dbraw/zinc/62/86/34/352628634.db2.gz DXRVJIGYOKIFAV-ZETCQYMHSA-N 0 1 175.235 1.950 10 0 ADAEMN CCc1nc([C@H]2CC23CC3)n[nH]1 575547669 352629399 /nfs/dbraw/zinc/62/93/99/352629399.db2.gz PZFWHVPOBVMXBX-ZCFIWIBFSA-N 0 1 163.224 1.635 10 0 ADAEMN CCc1nnc([C@H]2CC23CC3)[nH]1 575547669 352629402 /nfs/dbraw/zinc/62/94/02/352629402.db2.gz PZFWHVPOBVMXBX-ZCFIWIBFSA-N 0 1 163.224 1.635 10 0 ADAEMN CCc1nc([C@@H]2CC23CC3)n[nH]1 575547668 352629419 /nfs/dbraw/zinc/62/94/19/352629419.db2.gz PZFWHVPOBVMXBX-LURJTMIESA-N 0 1 163.224 1.635 10 0 ADAEMN CCc1nnc([C@@H]2CC23CC3)[nH]1 575547668 352629422 /nfs/dbraw/zinc/62/94/22/352629422.db2.gz PZFWHVPOBVMXBX-LURJTMIESA-N 0 1 163.224 1.635 10 0 ADAEMN CCn1ccnc1NC1CSC1 575548180 352630100 /nfs/dbraw/zinc/63/01/00/352630100.db2.gz AMTIRWKNCCYGQP-UHFFFAOYSA-N 0 1 183.280 1.430 10 0 ADAEMN NC1(c2cscn2)CSC1 575548099 352630120 /nfs/dbraw/zinc/63/01/20/352630120.db2.gz BCNGISKPHBDMKS-UHFFFAOYSA-N 0 1 172.278 1.044 10 0 ADAEMN 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181.279 1.873 10 0 ADAEMN C/C=C/[C@H](N)c1coc(C)n1 575556565 352660434 /nfs/dbraw/zinc/66/04/34/352660434.db2.gz IOLPJEMXOREFGY-SDLBARTOSA-N 0 1 152.197 1.559 10 0 ADAEMN C[C@H]1CCCC[C@H]1C(=O)C1(N)CC1 575556550 352660519 /nfs/dbraw/zinc/66/05/19/352660519.db2.gz IKIBLYDDLQGLHM-DTWKUNHWSA-N 0 1 181.279 1.873 10 0 ADAEMN C/C=C/[C@@H](N)c1coc(C)n1 575556563 352660551 /nfs/dbraw/zinc/66/05/51/352660551.db2.gz IOLPJEMXOREFGY-KGGZQZJCSA-N 0 1 152.197 1.559 10 0 ADAEMN CC(=O)[C@H](C)N1C[C@H](C)[C@@H]1C 575564677 352697456 /nfs/dbraw/zinc/69/74/56/352697456.db2.gz HIHGSPAADNLPCO-FXQIFTODSA-N 0 1 155.241 1.304 10 0 ADAEMN C[C@@H]1CCN1Cc1csc(=NN)[nH]1 575557656 352665202 /nfs/dbraw/zinc/66/52/02/352665202.db2.gz FVKSHVZOAMQZKW-ZCFIWIBFSA-N 0 1 198.295 1.023 10 0 ADAEMN C[C@H]1CCN1Cc1csc(=NN)[nH]1 575557654 352665237 /nfs/dbraw/zinc/66/52/37/352665237.db2.gz FVKSHVZOAMQZKW-LURJTMIESA-N 0 1 198.295 1.023 10 0 ADAEMN C/C=C/[C@H](N)c1cscn1 575557803 352665741 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C[C@H](N)c1noc([C@]2(C)C[C@@H]2C)n1 575569751 352721809 /nfs/dbraw/zinc/72/18/09/352721809.db2.gz DOOSWCXCDQCCJE-ATVXKPNKSA-N 0 1 181.239 1.387 10 0 ADAEMN C[C@H](N)c1noc([C@@]2(C)C[C@@H]2C)n1 575569773 352722496 /nfs/dbraw/zinc/72/24/96/352722496.db2.gz DOOSWCXCDQCCJE-WATHFIQWSA-N 0 1 181.239 1.387 10 0 ADAEMN C[C@@H]1O[C@H](C)C[C@@]1(N)c1ccsn1 575570416 352725452 /nfs/dbraw/zinc/72/54/52/352725452.db2.gz KBMRUWUKBYAVIB-FJXKBIBVSA-N 0 1 198.291 1.494 10 0 ADAEMN C[C@@H]1C[C@](N)(c2ccsn2)[C@@H](C)O1 575570422 352725495 /nfs/dbraw/zinc/72/54/95/352725495.db2.gz KBMRUWUKBYAVIB-ZXFLCMHBSA-N 0 1 198.291 1.494 10 0 ADAEMN C[C@@H]1O[C@H](C)C[C@]1(N)c1ccsn1 575570405 352725571 /nfs/dbraw/zinc/72/55/71/352725571.db2.gz KBMRUWUKBYAVIB-BKPPORCPSA-N 0 1 198.291 1.494 10 0 ADAEMN C[C@@H]1C[C@@](N)(c2ccsn2)[C@@H](C)O1 575570384 352725764 /nfs/dbraw/zinc/72/57/64/352725764.db2.gz KBMRUWUKBYAVIB-BHNWBGBOSA-N 0 1 198.291 1.494 10 0 ADAEMN CC1(C)OCC[C@H]1c1nsc(N)n1 575570645 352726723 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CHQRIFLCQIFLCD-UHFFFAOYSA-N 0 1 166.209 1.237 10 0 ADAEMN S=C1N=NC([C@@H]2C[C@H]2C2CC2)O1 575577246 352760496 /nfs/dbraw/zinc/76/04/96/352760496.db2.gz LWDBOJPQRQSQED-NTSWFWBYSA-N 0 1 182.248 1.872 10 0 ADAEMN S=C1N=NC([C@@H]2C[C@@H]2C2CC2)O1 575577254 352760526 /nfs/dbraw/zinc/76/05/26/352760526.db2.gz LWDBOJPQRQSQED-PHDIDXHHSA-N 0 1 182.248 1.872 10 0 ADAEMN S=C1N=NC([C@H]2C[C@H]2C2CC2)O1 575577259 352760669 /nfs/dbraw/zinc/76/06/69/352760669.db2.gz LWDBOJPQRQSQED-WDSKDSINSA-N 0 1 182.248 1.872 10 0 ADAEMN S=C1N=NC([C@H]2C[C@@H]2C2CC2)O1 575577255 352760788 /nfs/dbraw/zinc/76/07/88/352760788.db2.gz LWDBOJPQRQSQED-RITPCOANSA-N 0 1 182.248 1.872 10 0 ADAEMN CCC(=O)CN1CC[C@H]2C[C@H]21 575587672 352813413 /nfs/dbraw/zinc/81/34/13/352813413.db2.gz KNPVJNBQTLQACZ-IONNQARKSA-N 0 1 153.225 1.060 10 0 ADAEMN OCc1nc2c([nH]1)[C@H]1CC[C@@H](C2)C1 575577980 352764728 /nfs/dbraw/zinc/76/47/28/352764728.db2.gz SNEOHVBFEHLFBH-RQJHMYQMSA-N 0 1 178.235 1.342 10 0 ADAEMN C[C@@H]1CC[C@@](N)(c2cscn2)CO1 575578051 352765214 /nfs/dbraw/zinc/76/52/14/352765214.db2.gz FLCMVJWQWNRGKO-APPZFPTMSA-N 0 1 198.291 1.496 10 0 ADAEMN S=C1N=NC([C@@H]2CC23CC3)O1 575578030 352765275 /nfs/dbraw/zinc/76/52/75/352765275.db2.gz WBKATILILXDZLI-BYPYZUCNSA-N 0 1 168.221 1.626 10 0 ADAEMN C[C@H]1CC[C@](N)(c2cscn2)CO1 575578053 352765300 /nfs/dbraw/zinc/76/53/00/352765300.db2.gz FLCMVJWQWNRGKO-IONNQARKSA-N 0 1 198.291 1.496 10 0 ADAEMN C[C@@H]1CC[C@](N)(c2cscn2)CO1 575578054 352765325 /nfs/dbraw/zinc/76/53/25/352765325.db2.gz FLCMVJWQWNRGKO-VXNVDRBHSA-N 0 1 198.291 1.496 10 0 ADAEMN S=C1N=NC([C@H]2CC23CC3)O1 575578031 352765475 /nfs/dbraw/zinc/76/54/75/352765475.db2.gz WBKATILILXDZLI-SCSAIBSYSA-N 0 1 168.221 1.626 10 0 ADAEMN C[C@H]1CC[C@@](N)(c2cscn2)CO1 575578052 352765598 /nfs/dbraw/zinc/76/55/98/352765598.db2.gz FLCMVJWQWNRGKO-CBAPKCEASA-N 0 1 198.291 1.496 10 0 ADAEMN C[C@]1(CN2CC(=O)C=N2)CC1(F)F 575578411 352767584 /nfs/dbraw/zinc/76/75/84/352767584.db2.gz AGIMTHSYGRSNLD-SSDOTTSWSA-N 0 1 188.177 1.634 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/nfs/dbraw/zinc/77/02/33/352770233.db2.gz VFTBLJUCYSECLH-ZKWXMUAHSA-N 0 1 198.291 1.352 10 0 ADAEMN C[C@@H]1OC[C@@](N)(c2ccsn2)[C@H]1C 575579755 352772826 /nfs/dbraw/zinc/77/28/26/352772826.db2.gz ZGMDLPYPAGEYGA-ZKWXMUAHSA-N 0 1 198.291 1.352 10 0 ADAEMN CC[C@H]1C[C@@](N)(c2ccns2)CO1 575579710 352772648 /nfs/dbraw/zinc/77/26/48/352772648.db2.gz YQRJIZONICYDSD-CBAPKCEASA-N 0 1 198.291 1.496 10 0 ADAEMN CC[C@@H]1C[C@](N)(c2ccns2)CO1 575579713 352772670 /nfs/dbraw/zinc/77/26/70/352772670.db2.gz YQRJIZONICYDSD-VXNVDRBHSA-N 0 1 198.291 1.496 10 0 ADAEMN C[C@@H]1OC[C@](N)(c2ccsn2)[C@@H]1C 575579753 352772700 /nfs/dbraw/zinc/77/27/00/352772700.db2.gz ZGMDLPYPAGEYGA-BKPPORCPSA-N 0 1 198.291 1.352 10 0 ADAEMN C[C@@H]1OC[C@@](N)(c2ccsn2)[C@@H]1C 575579754 352772708 /nfs/dbraw/zinc/77/27/08/352772708.db2.gz ZGMDLPYPAGEYGA-FJXKBIBVSA-N 0 1 198.291 1.352 10 0 ADAEMN C[C@@H]1OC[C@](N)(c2ccsn2)[C@H]1C 575579751 352772715 /nfs/dbraw/zinc/77/27/15/352772715.db2.gz ZGMDLPYPAGEYGA-ACLDMZEESA-N 0 1 198.291 1.352 10 0 ADAEMN CC[C@H]1C[C@](N)(c2ccns2)CO1 575579712 352772882 /nfs/dbraw/zinc/77/28/82/352772882.db2.gz YQRJIZONICYDSD-IONNQARKSA-N 0 1 198.291 1.496 10 0 ADAEMN CC[C@@H]1C[C@@](N)(c2ccns2)CO1 575579708 352773076 /nfs/dbraw/zinc/77/30/76/352773076.db2.gz YQRJIZONICYDSD-APPZFPTMSA-N 0 1 198.291 1.496 10 0 ADAEMN CC1(C)COC[C@@]1(N)c1ccns1 575579771 352773462 /nfs/dbraw/zinc/77/34/62/352773462.db2.gz ZMXTYWOLFFDTFT-SECBINFHSA-N 0 1 198.291 1.354 10 0 ADAEMN CC1(C)COC[C@]1(N)c1ccns1 575579772 352773760 /nfs/dbraw/zinc/77/37/60/352773760.db2.gz ZMXTYWOLFFDTFT-VIFPVBQESA-N 0 1 198.291 1.354 10 0 ADAEMN C[C@@H]1C[C@@H]1c1ncn(C)c1N 575580365 352776997 /nfs/dbraw/zinc/77/69/97/352776997.db2.gz CGKAHXRBOKOEBL-RITPCOANSA-N 0 1 151.213 1.126 10 0 ADAEMN C[C@H]1C[C@H]1c1ncn(C)c1N 575580363 352777038 /nfs/dbraw/zinc/77/70/38/352777038.db2.gz CGKAHXRBOKOEBL-NTSWFWBYSA-N 0 1 151.213 1.126 10 0 ADAEMN C[C@@H]1C[C@H]1c1ncn(C)c1N 575580364 352777053 /nfs/dbraw/zinc/77/70/53/352777053.db2.gz CGKAHXRBOKOEBL-PHDIDXHHSA-N 0 1 151.213 1.126 10 0 ADAEMN C[C@H]1C[C@@H]1c1ncn(C)c1N 575580366 352777080 /nfs/dbraw/zinc/77/70/80/352777080.db2.gz CGKAHXRBOKOEBL-WDSKDSINSA-N 0 1 151.213 1.126 10 0 ADAEMN Cc1cc(C2(N)COC2)cs1 575580461 352777439 /nfs/dbraw/zinc/77/74/39/352777439.db2.gz UOTTZGGHQATIPZ-UHFFFAOYSA-N 0 1 169.249 1.241 10 0 ADAEMN CNc1nc([C@@H]2CCCCO2)ns1 575580551 352777718 /nfs/dbraw/zinc/77/77/18/352777718.db2.gz DFPGJZJTSKPEQS-LURJTMIESA-N 0 1 199.279 1.243 10 0 ADAEMN O=C([O-])C[N@H+]1CCC12CCCCC2 575580596 352777950 /nfs/dbraw/zinc/77/79/50/352777950.db2.gz FGKZIVJXSGWPLO-UHFFFAOYSA-N 0 1 183.251 1.480 10 0 ADAEMN CNc1nc([C@H]2CCCCO2)ns1 575580552 352777980 /nfs/dbraw/zinc/77/79/80/352777980.db2.gz DFPGJZJTSKPEQS-ZCFIWIBFSA-N 0 1 199.279 1.243 10 0 ADAEMN NCc1cnc(-c2ccns2)o1 575580536 352778232 /nfs/dbraw/zinc/77/82/32/352778232.db2.gz DBRQHLHDGXDQAQ-UHFFFAOYSA-N 0 1 181.220 1.257 10 0 ADAEMN Cc1nc([C@H](N)[C@H]2CC23CC3)no1 575580741 352778596 /nfs/dbraw/zinc/77/85/96/352778596.db2.gz GOBJPLIYESPOAH-RNFRBKRXSA-N 0 1 179.223 1.178 10 0 ADAEMN Cc1nc([C@H](N)[C@@H]2CC23CC3)no1 575580740 352778606 /nfs/dbraw/zinc/77/86/06/352778606.db2.gz GOBJPLIYESPOAH-NKWVEPMBSA-N 0 1 179.223 1.178 10 0 ADAEMN Cc1nc([C@@H](N)[C@@H]2CC23CC3)no1 575580739 352778812 /nfs/dbraw/zinc/77/88/12/352778812.db2.gz GOBJPLIYESPOAH-BQBZGAKWSA-N 0 1 179.223 1.178 10 0 ADAEMN Cc1nc([C@@H](N)[C@H]2CC23CC3)no1 575580742 352778835 /nfs/dbraw/zinc/77/88/35/352778835.db2.gz GOBJPLIYESPOAH-RQJHMYQMSA-N 0 1 179.223 1.178 10 0 ADAEMN Cc1ccc(F)c(C2(N)COC2)c1 575580840 352779388 /nfs/dbraw/zinc/77/93/88/352779388.db2.gz HMQFLRBKNSNEPA-UHFFFAOYSA-N 0 1 181.210 1.318 10 0 ADAEMN C[C@@H]1C[C@@H]1[C@@H](N)c1nccs1 575580760 352779394 /nfs/dbraw/zinc/77/93/94/352779394.db2.gz GSLJKCYZOVTFTM-DSYKOEDSSA-N 0 1 168.265 1.799 10 0 ADAEMN C[C@@H]1C[C@H]1[C@@H](N)c1nccs1 575580761 352779405 /nfs/dbraw/zinc/77/94/05/352779405.db2.gz GSLJKCYZOVTFTM-FSDSQADBSA-N 0 1 168.265 1.799 10 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CLBCGYNXNJECKB-CBAPKCEASA-N 0 1 163.224 1.555 10 0 ADAEMN Cc1nnc([C@]23CCC[C@H]2C3)[nH]1 575587245 352811014 /nfs/dbraw/zinc/81/10/14/352811014.db2.gz CLBCGYNXNJECKB-CBAPKCEASA-N 0 1 163.224 1.555 10 0 ADAEMN CC1(C)C[C@]1(C)c1ncc(CO)[nH]1 575587263 352811094 /nfs/dbraw/zinc/81/10/94/352811094.db2.gz CRWZWLUQHRTCLA-SNVBAGLBSA-N 0 1 180.251 1.590 10 0 ADAEMN CC1(C)C[C@@]1(C)c1ncc(CO)[nH]1 575587261 352811123 /nfs/dbraw/zinc/81/11/23/352811123.db2.gz CRWZWLUQHRTCLA-JTQLQIEISA-N 0 1 180.251 1.590 10 0 ADAEMN Cc1csc(-c2c[nH]c(N)n2)n1 575587466 352812600 /nfs/dbraw/zinc/81/26/00/352812600.db2.gz FLDLBQJEIQESPT-UHFFFAOYSA-N 0 1 180.236 1.254 10 0 ADAEMN C/C=C/[C@@H](N)c1cnc(C)cn1 575587552 352812827 /nfs/dbraw/zinc/81/28/27/352812827.db2.gz GBAQUMZMTUGRPR-MPJRPATESA-N 0 1 163.224 1.361 10 0 ADAEMN Cc1n[nH]c([C@@]2(C)CC2(C)C)n1 575587578 352812861 /nfs/dbraw/zinc/81/28/61/352812861.db2.gz DLBGAHCJVPOLNM-SECBINFHSA-N 0 1 165.240 1.801 10 0 ADAEMN Cc1nnc([C@@]2(C)CC2(C)C)[nH]1 575587578 352812862 /nfs/dbraw/zinc/81/28/62/352812862.db2.gz DLBGAHCJVPOLNM-SECBINFHSA-N 0 1 165.240 1.801 10 0 ADAEMN C/C=C/[C@H](N)c1cnc(C)cn1 575587554 352812905 /nfs/dbraw/zinc/81/29/05/352812905.db2.gz GBAQUMZMTUGRPR-RTMURIBGSA-N 0 1 163.224 1.361 10 0 ADAEMN Cc1n[nH]c([C@]2(C)CC2(C)C)n1 575587583 352812910 /nfs/dbraw/zinc/81/29/10/352812910.db2.gz DLBGAHCJVPOLNM-VIFPVBQESA-N 0 1 165.240 1.801 10 0 ADAEMN Cc1nnc([C@]2(C)CC2(C)C)[nH]1 575587583 352812911 /nfs/dbraw/zinc/81/29/11/352812911.db2.gz DLBGAHCJVPOLNM-VIFPVBQESA-N 0 1 165.240 1.801 10 0 ADAEMN C[C@@H]1CCN1Cc1ccc(N)cn1 575587603 352812950 /nfs/dbraw/zinc/81/29/50/352812950.db2.gz KBGNFIPISZUTHM-MRVPVSSYSA-N 0 1 177.251 1.258 10 0 ADAEMN C[C@H]1CCN1Cc1ccc(N)cn1 575587605 352812941 /nfs/dbraw/zinc/81/29/41/352812941.db2.gz KBGNFIPISZUTHM-QMMMGPOBSA-N 0 1 177.251 1.258 10 0 ADAEMN CCC(=O)CN1CC[C@@H]2C[C@@H]21 575587670 352813627 /nfs/dbraw/zinc/81/36/27/352813627.db2.gz KNPVJNBQTLQACZ-APPZFPTMSA-N 0 1 153.225 1.060 10 0 ADAEMN Cc1ccnc(N2CC[C@@H]2C)c1N 575587933 352815129 /nfs/dbraw/zinc/81/51/29/352815129.db2.gz AEERTLYCNPFCBM-QMMMGPOBSA-N 0 1 177.251 1.571 10 0 ADAEMN Cc1ccnc(N2CC[C@H]2C)c1N 575587932 352815167 /nfs/dbraw/zinc/81/51/67/352815167.db2.gz AEERTLYCNPFCBM-MRVPVSSYSA-N 0 1 177.251 1.571 10 0 ADAEMN Cc1cn(Cc2nnc[nH]2)cc1C 575588253 352816743 /nfs/dbraw/zinc/81/67/43/352816743.db2.gz HJWNNZCKDZGQQB-UHFFFAOYSA-N 0 1 176.223 1.271 10 0 ADAEMN CC1(C)CCN1c1nc(CN)co1 575588345 352817844 /nfs/dbraw/zinc/81/78/44/352817844.db2.gz AQIPDXAUNUQSSE-UHFFFAOYSA-N 0 1 181.239 1.122 10 0 ADAEMN S=C1N=NC([C@@H]2C[C@@H]3C[C@@H]3C2)O1 575588377 352818059 /nfs/dbraw/zinc/81/80/59/352818059.db2.gz JIKUJECILZZVTQ-FMCRUOTFSA-N 0 1 182.248 1.872 10 0 ADAEMN Cc1n[nH]c([C@]2(C)C[C@H]2C)n1 575588554 352818441 /nfs/dbraw/zinc/81/84/41/352818441.db2.gz ZZIFGNLXQRIEJB-SVGQVSJJSA-N 0 1 151.213 1.411 10 0 ADAEMN Cc1nnc([C@]2(C)C[C@H]2C)[nH]1 575588554 352818446 /nfs/dbraw/zinc/81/84/46/352818446.db2.gz ZZIFGNLXQRIEJB-SVGQVSJJSA-N 0 1 151.213 1.411 10 0 ADAEMN CC1=NC(=S)N(C2CSC2)C1 575588575 352818617 /nfs/dbraw/zinc/81/86/17/352818617.db2.gz OATXGFHCVXSZMR-UHFFFAOYSA-N 0 1 186.305 1.768 10 0 ADAEMN Cc1n[nH]c([C@@]2(C)C[C@@H]2C)n1 575588624 352818738 /nfs/dbraw/zinc/81/87/38/352818738.db2.gz ZZIFGNLXQRIEJB-XNCJUZBTSA-N 0 1 151.213 1.411 10 0 ADAEMN Cc1nnc([C@@]2(C)C[C@@H]2C)[nH]1 575588624 352818743 /nfs/dbraw/zinc/81/87/43/352818743.db2.gz ZZIFGNLXQRIEJB-XNCJUZBTSA-N 0 1 151.213 1.411 10 0 ADAEMN Cc1nccnc1[C@@]1(N)CC1(C)C 575588797 352819295 /nfs/dbraw/zinc/81/92/95/352819295.db2.gz DXYREGYKBNSNQP-JTQLQIEISA-N 0 1 177.251 1.369 10 0 ADAEMN Cc1n[nH]c([C@]2(C)C[C@@H]2C)n1 575588641 352819478 /nfs/dbraw/zinc/81/94/78/352819478.db2.gz ZZIFGNLXQRIEJB-YLWLKBPMSA-N 0 1 151.213 1.411 10 0 ADAEMN Cc1nnc([C@]2(C)C[C@@H]2C)[nH]1 575588641 352819487 /nfs/dbraw/zinc/81/94/87/352819487.db2.gz ZZIFGNLXQRIEJB-YLWLKBPMSA-N 0 1 151.213 1.411 10 0 ADAEMN Cc1n[nH]c([C@@]2(C)C[C@H]2C)n1 575588627 352819632 /nfs/dbraw/zinc/81/96/32/352819632.db2.gz ZZIFGNLXQRIEJB-XRGYYRRGSA-N 0 1 151.213 1.411 10 0 ADAEMN Cc1nnc([C@@]2(C)C[C@H]2C)[nH]1 575588627 352819635 /nfs/dbraw/zinc/81/96/35/352819635.db2.gz ZZIFGNLXQRIEJB-XRGYYRRGSA-N 0 1 151.213 1.411 10 0 ADAEMN Cc1nccnc1[C@]1(N)CC1(C)C 575588798 352819759 /nfs/dbraw/zinc/81/97/59/352819759.db2.gz DXYREGYKBNSNQP-SNVBAGLBSA-N 0 1 177.251 1.369 10 0 ADAEMN CC(=O)CN1C[C@@H]2CCCCC[C@@H]21 575588987 352820302 /nfs/dbraw/zinc/82/03/02/352820302.db2.gz MUZDZBLJQWREFW-QWRGUYRKSA-N 0 1 181.279 1.840 10 0 ADAEMN CC(=O)CN1C[C@@H]2CCCCC[C@H]21 575588988 352820501 /nfs/dbraw/zinc/82/05/01/352820501.db2.gz MUZDZBLJQWREFW-WDEREUQCSA-N 0 1 181.279 1.840 10 0 ADAEMN CC(=O)CN1C[C@H]2CCCCC[C@H]21 575588982 352820587 /nfs/dbraw/zinc/82/05/87/352820587.db2.gz MUZDZBLJQWREFW-GHMZBOCLSA-N 0 1 181.279 1.840 10 0 ADAEMN CC(=O)CN1C[C@H]2CCCCC[C@@H]21 575588984 352820685 /nfs/dbraw/zinc/82/06/85/352820685.db2.gz MUZDZBLJQWREFW-MNOVXSKESA-N 0 1 181.279 1.840 10 0 ADAEMN C[C@H]1[C@H](C)C[N@@H+]1[C@@H]1CC[C@@H]1C(=O)[O-] 575589396 352822028 /nfs/dbraw/zinc/82/20/28/352822028.db2.gz DVEKOQAHZUAQDU-RYPBNFRJSA-N 0 1 183.251 1.190 10 0 ADAEMN C[C@@H]1C[N@H+]([C@@H]2CC[C@@H]2C(=O)[O-])[C@@H]1C 575589393 352822062 /nfs/dbraw/zinc/82/20/62/352822062.db2.gz DVEKOQAHZUAQDU-LURQLKTLSA-N 0 1 183.251 1.190 10 0 ADAEMN C[C@@H]1C[N@H+]([C@@H]2CC[C@H]2C(=O)[O-])[C@@H]1C 575589391 352822078 /nfs/dbraw/zinc/82/20/78/352822078.db2.gz DVEKOQAHZUAQDU-FNCVBFRFSA-N 0 1 183.251 1.190 10 0 ADAEMN C[C@@H](N1CCC(=O)CC1)C1(C)CC1 575589383 352822150 /nfs/dbraw/zinc/82/21/50/352822150.db2.gz DPTXBSBTLBUXEZ-SECBINFHSA-N 0 1 181.279 1.840 10 0 ADAEMN C[C@H]1[C@H](C)C[N@@H+]1[C@@H]1CC[C@H]1C(=O)[O-] 575589388 352822216 /nfs/dbraw/zinc/82/22/16/352822216.db2.gz DVEKOQAHZUAQDU-BZNPZCIMSA-N 0 1 183.251 1.190 10 0 ADAEMN C[C@H](N1CCC(=O)CC1)C1(C)CC1 575589385 352822440 /nfs/dbraw/zinc/82/24/40/352822440.db2.gz DPTXBSBTLBUXEZ-VIFPVBQESA-N 0 1 181.279 1.840 10 0 ADAEMN Cc1cc(N2CC[C@@H]2C)ncc1N 575589951 352825232 /nfs/dbraw/zinc/82/52/32/352825232.db2.gz IRBIWUPCQWTRRP-QMMMGPOBSA-N 0 1 177.251 1.571 10 0 ADAEMN Cc1ccc(N)c(N2CC[C@@H]2C)n1 575589945 352825652 /nfs/dbraw/zinc/82/56/52/352825652.db2.gz IFCHBGKURDQHBX-QMMMGPOBSA-N 0 1 177.251 1.571 10 0 ADAEMN Cc1cc(N2CC[C@H]2C)ncc1N 575589946 352825686 /nfs/dbraw/zinc/82/56/86/352825686.db2.gz IRBIWUPCQWTRRP-MRVPVSSYSA-N 0 1 177.251 1.571 10 0 ADAEMN Cc1ccc(N)c(N2CC[C@H]2C)n1 575589944 352825737 /nfs/dbraw/zinc/82/57/37/352825737.db2.gz IFCHBGKURDQHBX-MRVPVSSYSA-N 0 1 177.251 1.571 10 0 ADAEMN CC(=O)[C@H](C)N1CCC12CCC2 575590112 352826069 /nfs/dbraw/zinc/82/60/69/352826069.db2.gz FWIWYGBNCQTVKW-QMMMGPOBSA-N 0 1 167.252 1.592 10 0 ADAEMN CC(=O)[C@@H](C)N1CCC12CCC2 575590110 352826397 /nfs/dbraw/zinc/82/63/97/352826397.db2.gz FWIWYGBNCQTVKW-MRVPVSSYSA-N 0 1 167.252 1.592 10 0 ADAEMN O=Cc1ccc(-c2c[nH]nn2)s1 575590737 352829289 /nfs/dbraw/zinc/82/92/89/352829289.db2.gz LQFHNUXSBALIIA-UHFFFAOYSA-N 0 1 179.204 1.346 10 0 ADAEMN CC1(C)C[N@@H+](/C=C/C(=O)[O-])C1(C)C 575590912 352829657 /nfs/dbraw/zinc/82/96/57/352829657.db2.gz TZACHDHJCKWFJE-AATRIKPKSA-N 0 1 183.251 1.705 10 0 ADAEMN Cc1ccc(C2(N)COC2)c(Cl)c1 575591004 352829752 /nfs/dbraw/zinc/82/97/52/352829752.db2.gz RRZJVODWGUNXNJ-UHFFFAOYSA-N 0 1 197.665 1.833 10 0 ADAEMN O=C([O-])/C=C/[N@H+]1C[C@H]2CCCC[C@@H]21 575591028 352830336 /nfs/dbraw/zinc/83/03/36/352830336.db2.gz JJCHKIQGQXIABY-RKWMXMRGSA-N 0 1 181.235 1.459 10 0 ADAEMN O=C([O-])/C=C/[N@H+]1C[C@@H]2CCCC[C@H]21 575591030 352830388 /nfs/dbraw/zinc/83/03/88/352830388.db2.gz JJCHKIQGQXIABY-VFPASMGPSA-N 0 1 181.235 1.459 10 0 ADAEMN O=C([O-])/C=C/[N@H+]1C[C@@H]2CCCC[C@@H]21 575591027 352830426 /nfs/dbraw/zinc/83/04/26/352830426.db2.gz JJCHKIQGQXIABY-MUNZNRDXSA-N 0 1 181.235 1.459 10 0 ADAEMN CC1(C)C[C@]1(N)c1ncc(F)cn1 575591142 352830452 /nfs/dbraw/zinc/83/04/52/352830452.db2.gz MFRRUEQLKMPDIG-VIFPVBQESA-N 0 1 181.214 1.200 10 0 ADAEMN CC1(C)CC[N@H+]1[C@H]1CC[C@H]1C(=O)[O-] 575591064 352830592 /nfs/dbraw/zinc/83/05/92/352830592.db2.gz VJKIPYFEPCKDJN-SFYZADRCSA-N 0 1 183.251 1.334 10 0 ADAEMN O=C([O-])/C=C/[N@H+]1C[C@H]2CCCC[C@H]21 575591026 352830628 /nfs/dbraw/zinc/83/06/28/352830628.db2.gz JJCHKIQGQXIABY-JKKBLNIGSA-N 0 1 181.235 1.459 10 0 ADAEMN CC1(C)C[C@@]1(N)c1ncc(F)cn1 575591141 352830686 /nfs/dbraw/zinc/83/06/86/352830686.db2.gz MFRRUEQLKMPDIG-SECBINFHSA-N 0 1 181.214 1.200 10 0 ADAEMN NCc1noc2c1CCC21CC1 575591049 352830680 /nfs/dbraw/zinc/83/06/80/352830680.db2.gz JPEPTOQXEXTPQW-UHFFFAOYSA-N 0 1 164.208 1.111 10 0 ADAEMN CC1(C)CC[N@H+]1[C@@H]1CC[C@@H]1C(=O)[O-] 575591063 352830783 /nfs/dbraw/zinc/83/07/83/352830783.db2.gz VJKIPYFEPCKDJN-JGVFFNPUSA-N 0 1 183.251 1.334 10 0 ADAEMN CC1(C)CC[N@H+]1[C@@H]1CC[C@H]1C(=O)[O-] 575591062 352830828 /nfs/dbraw/zinc/83/08/28/352830828.db2.gz VJKIPYFEPCKDJN-HTQZYQBOSA-N 0 1 183.251 1.334 10 0 ADAEMN CC1(C)CC[N@H+]1[C@H]1CC[C@@H]1C(=O)[O-] 575591067 352830872 /nfs/dbraw/zinc/83/08/72/352830872.db2.gz VJKIPYFEPCKDJN-YUMQZZPRSA-N 0 1 183.251 1.334 10 0 ADAEMN CC1(C)C[C@@]1(N)c1ncc(Cl)cn1 575591172 352831123 /nfs/dbraw/zinc/83/11/23/352831123.db2.gz NDCNTVHYUUTIJB-SECBINFHSA-N 0 1 197.669 1.714 10 0 ADAEMN Cc1ccnc([C@@]2(N)CC2(C)C)n1 575591196 352831189 /nfs/dbraw/zinc/83/11/89/352831189.db2.gz OCHBAZRKEKZLGO-JTQLQIEISA-N 0 1 177.251 1.369 10 0 ADAEMN CC1(C)C[C@]1(N)c1ncc(Cl)cn1 575591173 352831254 /nfs/dbraw/zinc/83/12/54/352831254.db2.gz NDCNTVHYUUTIJB-VIFPVBQESA-N 0 1 197.669 1.714 10 0 ADAEMN Cc1ccnc([C@]2(N)CC2(C)C)n1 575591197 352831591 /nfs/dbraw/zinc/83/15/91/352831591.db2.gz OCHBAZRKEKZLGO-SNVBAGLBSA-N 0 1 177.251 1.369 10 0 ADAEMN Cc1nc(N2CC[C@@H]2C)ccc1N 575591629 352832756 /nfs/dbraw/zinc/83/27/56/352832756.db2.gz QFXXJMWMDXFWPA-ZETCQYMHSA-N 0 1 177.251 1.571 10 0 ADAEMN Cc1nc(N2CC[C@H]2C)ccc1N 575591624 352833112 /nfs/dbraw/zinc/83/31/12/352833112.db2.gz QFXXJMWMDXFWPA-SSDOTTSWSA-N 0 1 177.251 1.571 10 0 ADAEMN CNCc1noc2c1CCC21CC1 575591948 352834686 /nfs/dbraw/zinc/83/46/86/352834686.db2.gz NHUSFGYHIOZVDX-UHFFFAOYSA-N 0 1 178.235 1.372 10 0 ADAEMN C/C=C/[C@@H](N)c1cccnn1 575592034 352835202 /nfs/dbraw/zinc/83/52/02/352835202.db2.gz XBQUHPGZKDBOQB-NUOXCJHRSA-N 0 1 149.197 1.053 10 0 ADAEMN C/C=C/[C@H](N)c1cccnn1 575592035 352835323 /nfs/dbraw/zinc/83/53/23/352835323.db2.gz XBQUHPGZKDBOQB-XBBYQOBLSA-N 0 1 149.197 1.053 10 0 ADAEMN Cc1nc(-c2c[nH]c(N)n2)sc1C 575592123 352835657 /nfs/dbraw/zinc/83/56/57/352835657.db2.gz YTGGRFUTKMFLPJ-UHFFFAOYSA-N 0 1 194.263 1.563 10 0 ADAEMN C[C@H]1[C@H](C)C[N@H+]1[C@@H]1CCNC[C@H]1F 575592325 352837038 /nfs/dbraw/zinc/83/70/38/352837038.db2.gz QQCKGFDTTMBWSC-UTINFBMNSA-N 0 1 186.274 1.027 10 0 ADAEMN C[C@@H]1C[N@@H+]([C@@H]2CCNC[C@H]2F)[C@@H]1C 575592328 352837082 /nfs/dbraw/zinc/83/70/82/352837082.db2.gz QQCKGFDTTMBWSC-ZYUZMQFOSA-N 0 1 186.274 1.027 10 0 ADAEMN C[C@H]1[C@H](C)C[N@H+]1[C@@H]1CCNC[C@@H]1F 575592327 352837123 /nfs/dbraw/zinc/83/71/23/352837123.db2.gz QQCKGFDTTMBWSC-XFWSIPNHSA-N 0 1 186.274 1.027 10 0 ADAEMN CCn1ccnc1[C@@]1(N)CC1(C)C 575592374 352837300 /nfs/dbraw/zinc/83/73/00/352837300.db2.gz VDJUWALENREFAX-JTQLQIEISA-N 0 1 179.267 1.487 10 0 ADAEMN CCn1ccnc1[C@]1(N)CC1(C)C 575592375 352837320 /nfs/dbraw/zinc/83/73/20/352837320.db2.gz VDJUWALENREFAX-SNVBAGLBSA-N 0 1 179.267 1.487 10 0 ADAEMN C[C@@H]1C[N@@H+]([C@@H]2CCNC[C@@H]2F)[C@@H]1C 575592324 352837599 /nfs/dbraw/zinc/83/75/99/352837599.db2.gz QQCKGFDTTMBWSC-DOLQZWNJSA-N 0 1 186.274 1.027 10 0 ADAEMN Cc1cnc([C@]2(N)CC2(C)C)nc1 575592512 352838010 /nfs/dbraw/zinc/83/80/10/352838010.db2.gz VJVZCEZKHCNDLQ-SNVBAGLBSA-N 0 1 177.251 1.369 10 0 ADAEMN Cc1cnc([C@@]2(N)CC2(C)C)nc1 575592510 352838030 /nfs/dbraw/zinc/83/80/30/352838030.db2.gz VJVZCEZKHCNDLQ-JTQLQIEISA-N 0 1 177.251 1.369 10 0 ADAEMN CC1(C)C[C@@]1(N)c1ncccc1F 575592580 352839034 /nfs/dbraw/zinc/83/90/34/352839034.db2.gz WTBGKNBLRPLNII-SNVBAGLBSA-N 0 1 180.226 1.805 10 0 ADAEMN Cc1cnnc([C@]2(N)CC2(C)C)c1 575592559 352839111 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CC[C@H](C)C[N@H+](CC(=O)[O-])CC1CC1 50426946 409379475 /nfs/dbraw/zinc/37/94/75/409379475.db2.gz MGXAYOAARDMYRW-VIFPVBQESA-N 0 1 199.294 1.829 10 0 ADAEMN CN(C)CC(=O)NC(C)(C)C1CCC1 653830374 409380276 /nfs/dbraw/zinc/38/02/76/409380276.db2.gz MVQYMOCTMLAELB-UHFFFAOYSA-N 0 1 198.310 1.243 10 0 ADAEMN CC[C@@H](C)Cn1ccnc1CN 51004095 409381582 /nfs/dbraw/zinc/38/15/82/409381582.db2.gz ORJKTIULZGFMIO-MRVPVSSYSA-N 0 1 167.256 1.388 10 0 ADAEMN CC[C@H](C)Cn1ccnc1CN 51004097 409382055 /nfs/dbraw/zinc/38/20/55/409382055.db2.gz ORJKTIULZGFMIO-QMMMGPOBSA-N 0 1 167.256 1.388 10 0 ADAEMN CC[C@H](C(=O)[O-])[N@@H+](C)CC1CCC1 61479546 409398216 /nfs/dbraw/zinc/39/82/16/409398216.db2.gz ZJCDNSZHWHGCQQ-SECBINFHSA-N 0 1 185.267 1.582 10 0 ADAEMN c1c(CNC2CC2)nn2c1CCCC2 655703292 409416108 /nfs/dbraw/zinc/41/61/08/409416108.db2.gz DOKYNGKRRPZWTN-UHFFFAOYSA-N 0 1 191.278 1.471 10 0 ADAEMN CC1(NCc2cocn2)CC=CC1 655815892 409417822 /nfs/dbraw/zinc/41/78/22/409417822.db2.gz JXWZKPCLEZPUFL-UHFFFAOYSA-N 0 1 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0 1 195.266 1.240 10 0 ADAEMN C[N@H+]1CCCC[C@@]1(C)CC(=O)[O-] 259521054 573592295 /nfs/dbraw/zinc/59/22/95/573592295.db2.gz AGZTXPMDIQAQRZ-VIFPVBQESA-N 0 1 171.240 1.336 10 0 ADAEMN CNCN(C)c1cc(C)ccc1C 258812827 573592329 /nfs/dbraw/zinc/59/23/29/573592329.db2.gz FNAACHVPGLZREX-UHFFFAOYSA-N 0 1 178.279 1.917 10 0 ADAEMN NCc1oncc1-c1ccccc1F 257832688 573592353 /nfs/dbraw/zinc/59/23/53/573592353.db2.gz KSOVZXZEUJHFHP-UHFFFAOYSA-N 0 1 192.193 1.939 10 0 ADAEMN C[N@H+]1CCCC[C@]1(C)CC(=O)[O-] 259521047 573592530 /nfs/dbraw/zinc/59/25/30/573592530.db2.gz AGZTXPMDIQAQRZ-SECBINFHSA-N 0 1 171.240 1.336 10 0 ADAEMN COc1cccc2n[nH]c(C(C)=O)c12 107420213 573592531 /nfs/dbraw/zinc/59/25/31/573592531.db2.gz JNXOMEXTNZOUGZ-UHFFFAOYSA-N 0 1 190.202 1.774 10 0 ADAEMN CC(C)[N@H+]1C[C@H](C(=O)[O-])CC1(C)C 259520987 573592647 /nfs/dbraw/zinc/59/26/47/573592647.db2.gz VHCVEVHZSVCGPW-MRVPVSSYSA-N 0 1 185.267 1.580 10 0 ADAEMN Cc1cc2c(cc1NCN)OCO2 258810709 573592712 /nfs/dbraw/zinc/59/27/12/573592712.db2.gz 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C[N@H+]1C[C@@H](C(C)(C)C)C[C@@H]1C(=O)[O-] 257895787 573876413 /nfs/dbraw/zinc/87/64/13/573876413.db2.gz OCYCCTWKRQBYCM-JGVFFNPUSA-N 0 1 185.267 1.437 10 0 ADAEMN CCN[C@@H](c1nc(C)no1)C(C)C 308460226 573875738 /nfs/dbraw/zinc/87/57/38/573875738.db2.gz HCZAURLQXQVSEL-MRVPVSSYSA-N 0 1 183.255 1.685 10 0 ADAEMN COc1cc(F)c(NCN)cc1F 258976660 573875800 /nfs/dbraw/zinc/87/58/00/573875800.db2.gz XRSNFVXAVAXYFV-UHFFFAOYSA-N 0 1 188.177 1.302 10 0 ADAEMN CC(C)[N@H+]1CC[C@H](C(=O)[O-])CC1(C)C 259216634 573875810 /nfs/dbraw/zinc/87/58/10/573875810.db2.gz CVFJNLMQUBDZTB-VIFPVBQESA-N 0 1 199.294 1.970 10 0 ADAEMN C[N@H+]1C[C@@H](C(C)(C)C)C[C@H]1C(=O)[O-] 257895792 573875920 /nfs/dbraw/zinc/87/59/20/573875920.db2.gz OCYCCTWKRQBYCM-YUMQZZPRSA-N 0 1 185.267 1.437 10 0 ADAEMN CC(C)(N)C(F)(F)c1cccnc1 258976430 573875958 /nfs/dbraw/zinc/87/59/58/573875958.db2.gz IZTBDZIZGFIOLE-UHFFFAOYSA-N 0 1 186.205 1.911 10 0 ADAEMN CCCOc1cccc2[nH]c(N)nc12 125351091 573876061 /nfs/dbraw/zinc/87/60/61/573876061.db2.gz HOBMGGPKBIGXEO-UHFFFAOYSA-N 0 1 191.234 1.934 10 0 ADAEMN CCOC(=O)CCCc1cn[nH]c1C 78231594 573876155 /nfs/dbraw/zinc/87/61/55/573876155.db2.gz ACQSKYCYCBSKDF-UHFFFAOYSA-N 0 1 196.250 1.604 10 0 ADAEMN Cc1ccc(N(C)CN)c(C)c1 258982222 573878278 /nfs/dbraw/zinc/87/82/78/573878278.db2.gz YDNKNZNGPZZOEY-UHFFFAOYSA-N 0 1 164.252 1.656 10 0 ADAEMN C/C=C/C(=O)N1CC[N@H+](CC)[C@H](C)C1 87333786 573884698 /nfs/dbraw/zinc/88/46/98/573884698.db2.gz FEEGQGDWNIRQJU-DFVUYQKZSA-N 0 1 196.294 1.115 10 0 ADAEMN C/C=C/C(=O)N1CCN(CC)[C@H](C)C1 87333786 573884703 /nfs/dbraw/zinc/88/47/03/573884703.db2.gz FEEGQGDWNIRQJU-DFVUYQKZSA-N 0 1 196.294 1.115 10 0 ADAEMN Cc1ccc(CCN(C)CO)c(C)c1 258984089 573884724 /nfs/dbraw/zinc/88/47/24/573884724.db2.gz WUJBSXQWQUBCES-UHFFFAOYSA-N 0 1 193.290 1.728 10 0 ADAEMN CC(C)c1n[nH]c(C2CC(O)C2)n1 84421324 573884117 /nfs/dbraw/zinc/88/41/17/573884117.db2.gz MUPCLUJBTSPPMC-UHFFFAOYSA-N 0 1 181.239 1.166 10 0 ADAEMN CC(C)c1nc(C2CC(O)C2)n[nH]1 84421324 573884120 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173.256 1.439 10 0 ADAEMN CC(C)C[N@@H+](C)CC[C@H](C)C(=O)[O-] 258988268 573891450 /nfs/dbraw/zinc/89/14/50/573891450.db2.gz YVPRUDSDIOAMMB-VIFPVBQESA-N 0 1 187.283 1.685 10 0 ADAEMN CC(C)[C@H]1CN(C)CCC1=O 76590942 573891486 /nfs/dbraw/zinc/89/14/86/573891486.db2.gz IOKMNVUAYIEALS-MRVPVSSYSA-N 0 1 155.241 1.163 10 0 ADAEMN CC[C@@H](C(=O)[O-])[N@@H+](C)[C@@H](C)C1(C)CC1 87368374 573898647 /nfs/dbraw/zinc/89/86/47/573898647.db2.gz GVQGKBNPMLZQEH-IUCAKERBSA-N 0 1 199.294 1.970 10 0 ADAEMN CCCNc1nnc(CNC)s1 84450167 573898734 /nfs/dbraw/zinc/89/87/34/573898734.db2.gz LVPKTTWXYDTYDW-UHFFFAOYSA-N 0 1 186.284 1.079 10 0 ADAEMN CN(CN)c1ccc2c(c1)CCCC2 258993595 573898945 /nfs/dbraw/zinc/89/89/45/573898945.db2.gz ZLFFAOKIJAOUPM-UHFFFAOYSA-N 0 1 190.290 1.918 10 0 ADAEMN C[C@@H](CC[N@@H+](C)C1CCC1)C(=O)[O-] 258993572 573899437 /nfs/dbraw/zinc/89/94/37/573899437.db2.gz ZLBVJNVQSMLMPE-QMMMGPOBSA-N 0 1 185.267 1.582 10 0 ADAEMN CC1(c2cc(C=O)n[nH]2)CC1 87367186 573899173 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1 171.240 1.080 10 0 ADAEMN C[C@@H](CC1CC1)Nc1ccnc(N)n1 87830813 574043993 /nfs/dbraw/zinc/04/39/93/574043993.db2.gz ZMQIXXUQGHNOOF-ZETCQYMHSA-N 0 1 192.266 1.659 10 0 ADAEMN C[C@@H](Nc1ccnc(N)n1)C1CC1 87812005 574044029 /nfs/dbraw/zinc/04/40/29/574044029.db2.gz YYXICICKHPXRFC-ZCFIWIBFSA-N 0 1 178.239 1.269 10 0 ADAEMN CCc1ccc(OC)c([C@H](N)OC)c1 259297591 574044187 /nfs/dbraw/zinc/04/41/87/574044187.db2.gz HYZSVWYFXBNNTF-LLVKDONJSA-N 0 1 195.262 1.861 10 0 ADAEMN CNc1nc(C)cc(N[C@@H]2C[C@H]2C)n1 87827503 574044246 /nfs/dbraw/zinc/04/42/46/574044246.db2.gz YDBCQLAQQBWKQA-HTRCEHHLSA-N 0 1 192.266 1.647 10 0 ADAEMN CNc1nc(C)cc(N[C@@H]2C[C@@H]2C)n1 87827498 574044249 /nfs/dbraw/zinc/04/42/49/574044249.db2.gz YDBCQLAQQBWKQA-POYBYMJQSA-N 0 1 192.266 1.647 10 0 ADAEMN CNc1nc(C)cc(NC2CCC2)n1 87827110 574044470 /nfs/dbraw/zinc/04/44/70/574044470.db2.gz JPXUBKGIKLAJKM-UHFFFAOYSA-N 0 1 192.266 1.791 10 0 ADAEMN Oc1ccccc1-c1ncncn1 112991189 574044480 /nfs/dbraw/zinc/04/44/80/574044480.db2.gz HWRLEEPNFJNTOP-UHFFFAOYSA-N 0 1 173.175 1.244 10 0 ADAEMN CC[C@H](N)C(=O)OCc1cccs1 49584783 574045057 /nfs/dbraw/zinc/04/50/57/574045057.db2.gz MIPGNKYONZUIGA-QMMMGPOBSA-N 0 1 199.275 1.529 10 0 ADAEMN CC[C@@H](N)C(=O)OCc1cccs1 49584784 574044568 /nfs/dbraw/zinc/04/45/68/574044568.db2.gz MIPGNKYONZUIGA-MRVPVSSYSA-N 0 1 199.275 1.529 10 0 ADAEMN CC(C)[C@H](C)CNc1ccnc(N)n1 87831529 574044653 /nfs/dbraw/zinc/04/46/53/574044653.db2.gz PXRGOJQFRCAWBC-MRVPVSSYSA-N 0 1 194.282 1.763 10 0 ADAEMN CCc1ccc(OC)c([C@@H](N)OC)c1 259297596 574044763 /nfs/dbraw/zinc/04/47/63/574044763.db2.gz HYZSVWYFXBNNTF-NSHDSACASA-N 0 1 195.262 1.861 10 0 ADAEMN C[C@H](CC1CC1)Nc1ccnc(N)n1 87830814 574044850 /nfs/dbraw/zinc/04/48/50/574044850.db2.gz ZMQIXXUQGHNOOF-SSDOTTSWSA-N 0 1 192.266 1.659 10 0 ADAEMN CC[C@H](C)CNc1cncc(=NN)[nH]1 87869841 574048658 /nfs/dbraw/zinc/04/86/58/574048658.db2.gz KNFFKPACWKLPKT-ZETCQYMHSA-N 0 1 195.270 1.220 10 0 ADAEMN CC[C@H](C)CNc1cncc(NN)n1 87869841 574048659 /nfs/dbraw/zinc/04/86/59/574048659.db2.gz KNFFKPACWKLPKT-ZETCQYMHSA-N 0 1 195.270 1.220 10 0 ADAEMN CC[C@H](C)Sc1cc(NN)ncn1 87889722 574048697 /nfs/dbraw/zinc/04/86/97/574048697.db2.gz NQAUGPQRSLJDBT-LURJTMIESA-N 0 1 198.295 1.653 10 0 ADAEMN CCCSc1nc(NN)ncc1C 87890025 574048751 /nfs/dbraw/zinc/04/87/51/574048751.db2.gz RZEWCAHWLCVCKT-UHFFFAOYSA-N 0 1 198.295 1.573 10 0 ADAEMN Cc1cnc(NN)nc1SC(C)C 87892214 574048256 /nfs/dbraw/zinc/04/82/56/574048256.db2.gz MFOVPOLQGAIYDS-UHFFFAOYSA-N 0 1 198.295 1.571 10 0 ADAEMN OCc1n[nH]c2c1[C@H](F)CCC2 258526055 574048324 /nfs/dbraw/zinc/04/83/24/574048324.db2.gz MTZCGRCTKXAIGG-RXMQYKEDSA-N 0 1 170.187 1.249 10 0 ADAEMN CC[C@@H](C)CNc1cncc(=NN)[nH]1 87869840 574048375 /nfs/dbraw/zinc/04/83/75/574048375.db2.gz KNFFKPACWKLPKT-SSDOTTSWSA-N 0 1 195.270 1.220 10 0 ADAEMN CC[C@@H](C)CNc1cncc(NN)n1 87869840 574048376 /nfs/dbraw/zinc/04/83/76/574048376.db2.gz KNFFKPACWKLPKT-SSDOTTSWSA-N 0 1 195.270 1.220 10 0 ADAEMN CC[C@@H](C)Sc1cc(NN)ncn1 87889721 574048450 /nfs/dbraw/zinc/04/84/50/574048450.db2.gz NQAUGPQRSLJDBT-ZCFIWIBFSA-N 0 1 198.295 1.653 10 0 ADAEMN CC[C@@H](C)Sc1ccnc(NN)n1 87889690 574048488 /nfs/dbraw/zinc/04/84/88/574048488.db2.gz CWWNWYVMRFYIQI-ZCFIWIBFSA-N 0 1 198.295 1.653 10 0 ADAEMN CC[C@H](C)Sc1ccnc(NN)n1 87889691 574048558 /nfs/dbraw/zinc/04/85/58/574048558.db2.gz CWWNWYVMRFYIQI-LURJTMIESA-N 0 1 198.295 1.653 10 0 ADAEMN CC(C)[C@H](C)Nc1cncc(NN)n1 87884323 574048607 /nfs/dbraw/zinc/04/86/07/574048607.db2.gz FOQPCHMQHJCHQI-ZETCQYMHSA-N 0 1 195.270 1.219 10 0 ADAEMN CC(C)(C)Sc1cc(NN)ncn1 87889880 574048611 /nfs/dbraw/zinc/04/86/11/574048611.db2.gz QMGNLGJOWGYAMQ-UHFFFAOYSA-N 0 1 198.295 1.653 10 0 ADAEMN CCCSc1cc(NN)ncn1 87889971 574048636 /nfs/dbraw/zinc/04/86/36/574048636.db2.gz PVMPIQGTWLUDMW-UHFFFAOYSA-N 0 1 184.268 1.264 10 0 ADAEMN CC(C)Sc1cc(NN)ncn1 87892165 574048638 /nfs/dbraw/zinc/04/86/38/574048638.db2.gz VVXQLODIPMZCCW-UHFFFAOYSA-N 0 1 184.268 1.263 10 0 ADAEMN CCSc1nc(NN)ncc1C 87889833 574048643 /nfs/dbraw/zinc/04/86/43/574048643.db2.gz PVNOLHSTJVOVLP-UHFFFAOYSA-N 0 1 184.268 1.183 10 0 ADAEMN Cc1ccc(C(O)=CC=O)cc1 238551961 518188553 /nfs/dbraw/zinc/18/85/53/518188553.db2.gz NJZGUOVSZMWJMI-UHFFFAOYSA-N 0 1 161.180 1.581 10 0 ADAEMN Cc1nc([C@H]2CN3CCC2CC3)no1 2493 518192889 /nfs/dbraw/zinc/19/28/89/518192889.db2.gz MIFVZIQXKGJTLI-VIFPVBQESA-N 0 1 193.250 1.187 10 0 ADAEMN CC(C)(N)c1cc([C@H]2CCCO2)no1 901396850 630747669 /nfs/dbraw/zinc/74/76/69/630747669.db2.gz QHIJWBDBWBVSJS-MRVPVSSYSA-N 0 1 196.250 1.720 10 0 ADAEMN CCC(C)(CC)NC(=O)CN(C)C 388711770 538436644 /nfs/dbraw/zinc/43/66/44/538436644.db2.gz PSJHVCQSEDSPBC-UHFFFAOYSA-N 0 1 186.299 1.243 10 0 ADAEMN CC(C)N1CCOc2ccc(N)nc21 77018133 519685950 /nfs/dbraw/zinc/68/59/50/519685950.db2.gz FYAZJYOUCBFWBB-UHFFFAOYSA-N 0 1 193.250 1.271 10 0 ADAEMN CCCN1CCOc2ccc(N)nc21 77018110 519860986 /nfs/dbraw/zinc/86/09/86/519860986.db2.gz GWWXEFHGBLOWIR-UHFFFAOYSA-N 0 1 193.250 1.273 10 0 ADAEMN CCN(CC)C(=O)c1cnccc1N 82322120 520563339 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629699888 /nfs/dbraw/zinc/69/98/88/629699888.db2.gz OTWPXHHKLGZHPP-LXOKAJLYSA-N 0 1 189.686 1.850 10 0 ADAEMN CSCCSc1cn[nH]n1 306483355 629704148 /nfs/dbraw/zinc/70/41/48/629704148.db2.gz FHHOTCXBYORRGJ-UHFFFAOYSA-N 0 1 175.282 1.260 10 0 ADAEMN Cc1cc(CC(=O)CN)ccc1Cl 757158170 629716969 /nfs/dbraw/zinc/71/69/69/629716969.db2.gz NTNJSMBMHHAIJH-UHFFFAOYSA-N 0 1 197.665 1.719 10 0 ADAEMN CCOC(=O)C(F)=C(O)C(C)(C)C 139559998 629717227 /nfs/dbraw/zinc/71/72/27/629717227.db2.gz HLQMJVMMMPTQEG-ZCFIWIBFSA-N 0 1 190.214 1.503 10 0 ADAEMN CCOC(=O)C(F)=C(O)C(C)(C)C 139560118 629717706 /nfs/dbraw/zinc/71/77/06/629717706.db2.gz HLQMJVMMMPTQEG-LURJTMIESA-N 0 1 190.214 1.503 10 0 ADAEMN CCCCCNC(=O)C(C#N)C(C)=O 1540123 629729265 /nfs/dbraw/zinc/72/92/65/629729265.db2.gz BDCFZOVWLUNLGC-VIFPVBQESA-N 0 1 196.250 1.022 10 0 ADAEMN CC12C[C@@]3(C)C[N@H+](C[C@@](C)(C1)C3)[C@H]2O 12407801 520790363 /nfs/dbraw/zinc/79/03/63/520790363.db2.gz GYJPGXYGXISGQL-WSMDXJOWSA-N 0 1 195.306 1.837 10 0 ADAEMN CC12C[C@@]3(C)CN(C[C@@](C)(C1)C3)[C@H]2O 12407801 520790369 /nfs/dbraw/zinc/79/03/69/520790369.db2.gz GYJPGXYGXISGQL-WSMDXJOWSA-N 0 1 195.306 1.837 10 0 ADAEMN FCC[N@H+]1CC[C@@H](C(F)F)C1 307227409 629755323 /nfs/dbraw/zinc/75/53/23/629755323.db2.gz WPSQNGWDMHFUOL-ZCFIWIBFSA-N 0 1 167.174 1.543 10 0 ADAEMN FCCN1CC[C@@H](C(F)F)C1 307227409 629755336 /nfs/dbraw/zinc/75/53/36/629755336.db2.gz WPSQNGWDMHFUOL-ZCFIWIBFSA-N 0 1 167.174 1.543 10 0 ADAEMN CCC[C@@H](C)C(=O)Nc1c[nH]nn1 307352115 629760913 /nfs/dbraw/zinc/76/09/13/629760913.db2.gz QSDUZSTXZGREDC-ZCFIWIBFSA-N 0 1 182.227 1.179 10 0 ADAEMN CC[C@@H](C)CC(=O)Nc1c[nH]nn1 307368644 629762456 /nfs/dbraw/zinc/76/24/56/629762456.db2.gz NJYMLVWRGCVTRG-ZCFIWIBFSA-N 0 1 182.227 1.179 10 0 ADAEMN CCC[C@H](C)C(=O)Nc1c[nH]nn1 307352113 629763500 /nfs/dbraw/zinc/76/35/00/629763500.db2.gz QSDUZSTXZGREDC-LURJTMIESA-N 0 1 182.227 1.179 10 0 ADAEMN CC[C@H](C)CC(=O)Nc1c[nH]nn1 307368643 629763734 /nfs/dbraw/zinc/76/37/34/629763734.db2.gz NJYMLVWRGCVTRG-LURJTMIESA-N 0 1 182.227 1.179 10 0 ADAEMN CC[C@H](C(=O)[O-])[N@H+]1CC[C@@H]2CCC[C@@H]21 307455622 629766072 /nfs/dbraw/zinc/76/60/72/629766072.db2.gz XKMXEZYPBCXWHB-AEJSXWLSSA-N 0 1 197.278 1.724 10 0 ADAEMN CC[C@H]1CCN1CN1CCCC1=O 307459828 629767440 /nfs/dbraw/zinc/76/74/40/629767440.db2.gz ARFQUNGFNZURQH-VIFPVBQESA-N 0 1 182.267 1.051 10 0 ADAEMN CC[C@@H]1CCN1CN1CCCC1=O 307459824 629770193 /nfs/dbraw/zinc/77/01/93/629770193.db2.gz ARFQUNGFNZURQH-SECBINFHSA-N 0 1 182.267 1.051 10 0 ADAEMN FCCN1C[C@@H]2CCC[C@@H]21 307521270 629778540 /nfs/dbraw/zinc/77/85/40/629778540.db2.gz UNYDJGZMMAGABA-YUMQZZPRSA-N 0 1 143.205 1.440 10 0 ADAEMN Cn1nccc1CN1CCC1(C)C 307622083 629791775 /nfs/dbraw/zinc/79/17/75/629791775.db2.gz PNVSTMZEMIIPSR-UHFFFAOYSA-N 0 1 179.267 1.404 10 0 ADAEMN CONC(=O)CSC(C)(C)C 307618043 629796592 /nfs/dbraw/zinc/79/65/92/629796592.db2.gz SGRRCLKWEVFRQH-UHFFFAOYSA-N 0 1 177.269 1.196 10 0 ADAEMN CO[C@H]1C[C@@H](N(C)CCF)C1 307675976 629800153 /nfs/dbraw/zinc/80/01/53/629800153.db2.gz FAELKLIVZUBCTG-OCAPTIKFSA-N 0 1 161.220 1.065 10 0 ADAEMN CC[C@H](C)N1CCO[C@H](C(F)F)C1 307752625 629810566 /nfs/dbraw/zinc/81/05/66/629810566.db2.gz SDZGKDNCLJCQNZ-YUMQZZPRSA-N 0 1 193.237 1.751 10 0 ADAEMN CC[C@@H](C)N1CCO[C@@H](C(F)F)C1 307752622 629810895 /nfs/dbraw/zinc/81/08/95/629810895.db2.gz SDZGKDNCLJCQNZ-HTQZYQBOSA-N 0 1 193.237 1.751 10 0 ADAEMN CC[C@H](C)N1CCO[C@@H](C(F)F)C1 307752623 629811474 /nfs/dbraw/zinc/81/14/74/629811474.db2.gz SDZGKDNCLJCQNZ-JGVFFNPUSA-N 0 1 193.237 1.751 10 0 ADAEMN CC[C@@H](C)N1CCO[C@H](C(F)F)C1 307752624 629811809 /nfs/dbraw/zinc/81/18/09/629811809.db2.gz SDZGKDNCLJCQNZ-SFYZADRCSA-N 0 1 193.237 1.751 10 0 ADAEMN CC[C@H](C)[C@H](C(=O)[O-])[N@H+]1CCC[C@@H]1C 86658105 629813019 /nfs/dbraw/zinc/81/30/19/629813019.db2.gz CMYHAIVSFRUHSO-LPEHRKFASA-N 0 1 199.294 1.970 10 0 ADAEMN C[C@@H]1CCOCCN1C/C=C\Cl 307951964 629825174 /nfs/dbraw/zinc/82/51/74/629825174.db2.gz OTWPXHHKLGZHPP-FIFYQCSRSA-N 0 1 189.686 1.850 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NZJWQNDATRDYJY-WPRPVWTQSA-N 0 1 198.266 1.321 10 0 ADAEMN CCC(N)=NOC[C@@H]1C[C@@]12CCOC2 902219573 630748226 /nfs/dbraw/zinc/74/82/26/630748226.db2.gz NZJWQNDATRDYJY-WCBMZHEXSA-N 0 1 198.266 1.321 10 0 ADAEMN CCC(N)=NOC[C@H]1C[C@@]12CCOC2 902219187 630748723 /nfs/dbraw/zinc/74/87/23/630748723.db2.gz NZJWQNDATRDYJY-PSASIEDQSA-N 0 1 198.266 1.321 10 0 ADAEMN COCCSCc1[nH]ncc1C 902293303 630749299 /nfs/dbraw/zinc/74/92/99/630749299.db2.gz HVBNQIXZZFQUQQ-UHFFFAOYSA-N 0 1 186.280 1.598 10 0 ADAEMN C[C@@H](NCc1ccon1)C1(C)CC1 88052484 630750155 /nfs/dbraw/zinc/75/01/55/630750155.db2.gz UAPXXZIXRPSMLY-MRVPVSSYSA-N 0 1 180.251 1.953 10 0 ADAEMN C[C@H](NCc1ccon1)C1(C)CC1 88052483 630750211 /nfs/dbraw/zinc/75/02/11/630750211.db2.gz UAPXXZIXRPSMLY-QMMMGPOBSA-N 0 1 180.251 1.953 10 0 ADAEMN CC(C)=CCNC(=O)c1[nH]ncc1F 907696302 630752086 /nfs/dbraw/zinc/75/20/86/630752086.db2.gz WCBVGILXCBDKQE-UHFFFAOYSA-N 0 1 197.213 1.245 10 0 ADAEMN CC[C@@H]1C[C@H]1CN(C)Cc1cc[nH]n1 929624342 630753437 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CXHQOLSNWOIUIA-RXMQYKEDSA-N 0 1 169.253 1.695 10 0 ADAEMN CC(=O)CSCc1[nH]ncc1C 917131352 630794722 /nfs/dbraw/zinc/79/47/22/630794722.db2.gz UAHUSVYBKYRIEU-UHFFFAOYSA-N 0 1 184.264 1.540 10 0 ADAEMN Cc1c[nH]nc1CSc1c[nH]nn1 917173741 630794814 /nfs/dbraw/zinc/79/48/14/630794814.db2.gz MHEUIUUHDZMXCB-UHFFFAOYSA-N 0 1 195.251 1.129 10 0 ADAEMN CC1=NO[C@@H](CSc2cn[nH]n2)C1 917173239 630794995 /nfs/dbraw/zinc/79/49/95/630794995.db2.gz HLEVFKLNTZRRKQ-ZCFIWIBFSA-N 0 1 198.251 1.062 10 0 ADAEMN Cc1cn[nH]c1CSc1ncco1 917577902 630798226 /nfs/dbraw/zinc/79/82/26/630798226.db2.gz PQLMMYHZNUWGDF-UHFFFAOYSA-N 0 1 195.247 1.998 10 0 ADAEMN Cc1[nH]ncc1CN(C)C(=O)CCF 911573071 630807885 /nfs/dbraw/zinc/80/78/85/630807885.db2.gz XSZVBABZVNRLBG-UHFFFAOYSA-N 0 1 199.229 1.036 10 0 ADAEMN CCc1[nH]nc(Cl)c1CNC1CC1 921471412 630826227 /nfs/dbraw/zinc/82/62/27/630826227.db2.gz DMQSUYFIAXTAHQ-UHFFFAOYSA-N 0 1 199.685 1.878 10 0 ADAEMN C[C@H](N)c1nc(C(C)(C)C)nn1C 54698757 630825973 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0 1 191.246 1.086 10 0 ADAEMN CCC[C@H](O)CCNCc1cocn1 922820318 630876748 /nfs/dbraw/zinc/87/67/48/630876748.db2.gz HSPBUMHDXPZQTF-JTQLQIEISA-N 0 1 198.266 1.315 10 0 ADAEMN CCC[C@@H](O)CCNCc1cocn1 922820319 630877472 /nfs/dbraw/zinc/87/74/72/630877472.db2.gz HSPBUMHDXPZQTF-SNVBAGLBSA-N 0 1 198.266 1.315 10 0 ADAEMN CC[C@H](C)[C@@H](C(=O)[O-])[N@H+]1CCC[C@@H]1C 86658103 630880042 /nfs/dbraw/zinc/88/00/42/630880042.db2.gz CMYHAIVSFRUHSO-GUBZILKMSA-N 0 1 199.294 1.970 10 0 ADAEMN c1nc(CNCC2CSC2)co1 700541248 630881887 /nfs/dbraw/zinc/88/18/87/630881887.db2.gz KUUDFXDGRHBZPG-UHFFFAOYSA-N 0 1 184.264 1.127 10 0 ADAEMN CCC[N@H+]1CCC[C@@](CC)(C(=O)[O-])C1 62877545 630884895 /nfs/dbraw/zinc/88/48/95/630884895.db2.gz YIMJPHMIIWNTGK-LLVKDONJSA-N 0 1 199.294 1.973 10 0 ADAEMN CCC[N@H+]1CCC[C@](CC)(C(=O)[O-])C1 62877546 630885696 /nfs/dbraw/zinc/88/56/96/630885696.db2.gz YIMJPHMIIWNTGK-NSHDSACASA-N 0 1 199.294 1.973 10 0 ADAEMN Nc1cnc(CN2CCCCC2)cn1 231294256 630887576 /nfs/dbraw/zinc/88/75/76/630887576.db2.gz GOGMXPVEEZMUSE-UHFFFAOYSA-N 0 1 192.266 1.045 10 0 ADAEMN CCCN(C)[C@@H](C)c1ncccn1 929410994 630887855 /nfs/dbraw/zinc/88/78/55/630887855.db2.gz FILAIKFDMQSSNR-VIFPVBQESA-N 0 1 179.267 1.879 10 0 ADAEMN CCCN(C)[C@H](C)c1ncccn1 929410992 630889153 /nfs/dbraw/zinc/88/91/53/630889153.db2.gz FILAIKFDMQSSNR-SECBINFHSA-N 0 1 179.267 1.879 10 0 ADAEMN CCC[N@@H+](C)Cc1cc(C)nnc1C 929412994 630890208 /nfs/dbraw/zinc/89/02/08/630890208.db2.gz QUTDSOVDVIFVHV-UHFFFAOYSA-N 0 1 193.294 1.935 10 0 ADAEMN CCCN(CC)Cc1cn(CC)nn1 929366783 630892551 /nfs/dbraw/zinc/89/25/51/630892551.db2.gz FXJTWCKFWNZZRH-UHFFFAOYSA-N 0 1 196.298 1.530 10 0 ADAEMN Cc1ncc(CN2CCC2(C)C)n1C 824825139 630942821 /nfs/dbraw/zinc/94/28/21/630942821.db2.gz NHOHBZOWAYLTJX-UHFFFAOYSA-N 0 1 193.294 1.713 10 0 ADAEMN CC(C)c1nn(C)cc1-c1nc[nH]n1 844228681 630952184 /nfs/dbraw/zinc/95/21/84/630952184.db2.gz KWNNOBCIFAYOTE-UHFFFAOYSA-N 0 1 191.238 1.329 10 0 ADAEMN COCCN[C@H]1CCCc2c[nH]nc21 857845541 630998975 /nfs/dbraw/zinc/99/89/75/630998975.db2.gz MJLFFEQBCLSZGW-VIFPVBQESA-N 0 1 195.266 1.023 10 0 ADAEMN CC1CC(N[C@H](C)c2cnn(C)n2)C1 925492306 630999116 /nfs/dbraw/zinc/99/91/16/630999116.db2.gz SNSXLTRZSHEZJT-QJAFJHJLSA-N 0 1 194.282 1.264 10 0 ADAEMN COCCN[C@@H]1CCCc2c[nH]nc21 857845540 630999241 /nfs/dbraw/zinc/99/92/41/630999241.db2.gz MJLFFEQBCLSZGW-SECBINFHSA-N 0 1 195.266 1.023 10 0 ADAEMN CC1CC(N[C@@H](C)c2cnn(C)n2)C1 925492303 630999291 /nfs/dbraw/zinc/99/92/91/630999291.db2.gz SNSXLTRZSHEZJT-MGURRDGZSA-N 0 1 194.282 1.264 10 0 ADAEMN FCCN(C1CC1)C1CC1 859626584 631001819 /nfs/dbraw/zinc/00/18/19/631001819.db2.gz DPSRNXAZEGYVLF-UHFFFAOYSA-N 0 1 143.205 1.583 10 0 ADAEMN COC1CCN(CCF)CC1 219425015 631014415 /nfs/dbraw/zinc/01/44/15/631014415.db2.gz CQXVUDXFDYVEBC-UHFFFAOYSA-N 0 1 161.220 1.067 10 0 ADAEMN CO[C@@H](C)[C@H](C)N[C@@H](C)c1ncc[nH]1 221147364 631018115 /nfs/dbraw/zinc/01/81/15/631018115.db2.gz XZFRDCKDQCADCK-CIUDSAMLSA-N 0 1 197.282 1.484 10 0 ADAEMN C[C@@H](N[C@@H]1CCO[C@@H]1C)c1ncc[nH]1 221147609 631019749 /nfs/dbraw/zinc/01/97/49/631019749.db2.gz SZULNSAKBSLLTG-IWSPIJDZSA-N 0 1 195.266 1.238 10 0 ADAEMN COC(C)(C)[C@H](C)NCc1ccon1 300949498 631026105 /nfs/dbraw/zinc/02/61/05/631026105.db2.gz GYUHIIXRZSGNJY-QMMMGPOBSA-N 0 1 198.266 1.578 10 0 ADAEMN CN(C/C=C/Cl)CCCO 300823467 631026182 /nfs/dbraw/zinc/02/61/82/631026182.db2.gz NFZDLBQDZSBWGV-DUXPYHPUSA-N 0 1 163.648 1.053 10 0 ADAEMN CCn1nc(C)c([C@@H](C)NC2CC2)n1 924528521 631031687 /nfs/dbraw/zinc/03/16/87/631031687.db2.gz IVXCGNWXQRKLOT-SSDOTTSWSA-N 0 1 194.282 1.419 10 0 ADAEMN CCCN[C@@H](C)c1nn(CC)nc1C 924523909 631031745 /nfs/dbraw/zinc/03/17/45/631031745.db2.gz CQGYOUNHIXZKAI-QMMMGPOBSA-N 0 1 196.298 1.667 10 0 ADAEMN CCCCN[C@H]1C[C@@H](C)n2ncnc21 924530826 631032114 /nfs/dbraw/zinc/03/21/14/631032114.db2.gz GFJUMXKFONBQOS-BDAKNGLRSA-N 0 1 194.282 1.674 10 0 ADAEMN CCn1nc(C)c([C@H](C)NC2CC2)n1 924528522 631032426 /nfs/dbraw/zinc/03/24/26/631032426.db2.gz IVXCGNWXQRKLOT-ZETCQYMHSA-N 0 1 194.282 1.419 10 0 ADAEMN CCCCN[C@H]1C[C@H](C)n2ncnc21 924530828 631032499 /nfs/dbraw/zinc/03/24/99/631032499.db2.gz GFJUMXKFONBQOS-IUCAKERBSA-N 0 1 194.282 1.674 10 0 ADAEMN Cc1[nH+]c(C(C)(C)C(=O)[O-])cn1C 74300673 631032701 /nfs/dbraw/zinc/03/27/01/631032701.db2.gz SZSVYFIYAGVHME-UHFFFAOYSA-N 0 1 182.223 1.091 10 0 ADAEMN CCCCN[C@@H]1C[C@H](C)n2ncnc21 924530827 631033051 /nfs/dbraw/zinc/03/30/51/631033051.db2.gz GFJUMXKFONBQOS-DTWKUNHWSA-N 0 1 194.282 1.674 10 0 ADAEMN CCCN[C@H](C)c1nn(CC)nc1C 924523908 631033524 /nfs/dbraw/zinc/03/35/24/631033524.db2.gz CQGYOUNHIXZKAI-MRVPVSSYSA-N 0 1 196.298 1.667 10 0 ADAEMN CCCCN[C@@H]1C[C@@H](C)n2ncnc21 924530829 631033848 /nfs/dbraw/zinc/03/38/48/631033848.db2.gz GFJUMXKFONBQOS-RKDXNWHRSA-N 0 1 194.282 1.674 10 0 ADAEMN Cc1nonc1[C@@H](C)N[C@@H](C)C1CC1 924569214 631036511 /nfs/dbraw/zinc/03/65/11/631036511.db2.gz AJVQNDUXSCKWFC-NKWVEPMBSA-N 0 1 195.266 1.827 10 0 ADAEMN Cc1nonc1[C@H](C)N[C@@H](C)C1CC1 924569213 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154.213 1.647 10 0 ADAEMN C[C@@H]1C[C@H](C(F)F)n2ccnc2N1 720939600 537884778 /nfs/dbraw/zinc/88/47/78/537884778.db2.gz FTVQPRNMVVQZLO-PHDIDXHHSA-N 0 1 187.193 1.893 10 0 ADAEMN C[C@@H]1C[C@H](C(F)F)Nc2nccn21 720941572 537884844 /nfs/dbraw/zinc/88/48/44/537884844.db2.gz RGYQFXAVPQGVJP-PHDIDXHHSA-N 0 1 187.193 1.893 10 0 ADAEMN C[C@H]1C[C@@H](C(F)F)Nc2nccn21 720941576 537885303 /nfs/dbraw/zinc/88/53/03/537885303.db2.gz RGYQFXAVPQGVJP-WDSKDSINSA-N 0 1 187.193 1.893 10 0 ADAEMN C[C@H]1C[C@H](C(F)F)Nc2nccn21 720941570 537885695 /nfs/dbraw/zinc/88/56/95/537885695.db2.gz RGYQFXAVPQGVJP-NTSWFWBYSA-N 0 1 187.193 1.893 10 0 ADAEMN CC[C@@H](C)c1nc(CN)co1 82632017 537885871 /nfs/dbraw/zinc/88/58/71/537885871.db2.gz LQXYIHAOMOTMOU-ZCFIWIBFSA-N 0 1 154.213 1.647 10 0 ADAEMN NCc1coc(C2CCCC2)n1 82632902 537885943 /nfs/dbraw/zinc/88/59/43/537885943.db2.gz JCYIZKHEHISTJG-UHFFFAOYSA-N 0 1 166.224 1.791 10 0 ADAEMN C[C@H](O)CN(C)Cc1ccnc(F)c1 725241286 537887744 /nfs/dbraw/zinc/88/77/44/537887744.db2.gz 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BLAKHHMDOIWKNK-JTQLQIEISA-N 0 1 198.266 1.171 10 0 ADAEMN CC(C)[C@](C)(O)CNCc1cocn1 379648132 538426737 /nfs/dbraw/zinc/42/67/37/538426737.db2.gz BLAKHHMDOIWKNK-SNVBAGLBSA-N 0 1 198.266 1.171 10 0 ADAEMN CCN(Cc1cocn1)CC1CC1 381847305 538427518 /nfs/dbraw/zinc/42/75/18/538427518.db2.gz OEWSGWBNUHVVFQ-UHFFFAOYSA-N 0 1 180.251 1.907 10 0 ADAEMN Cc1cc(CN(C)CCCCO)on1 384852298 538428992 /nfs/dbraw/zinc/42/89/92/538428992.db2.gz AZKQBJLKKSSTDK-UHFFFAOYSA-N 0 1 198.266 1.187 10 0 ADAEMN CCOCCN1CC[C@H](C)[C@H](F)C1 388251651 538430384 /nfs/dbraw/zinc/43/03/84/538430384.db2.gz XAENTNIMGUWZIY-VHSXEESVSA-N 0 1 189.274 1.703 10 0 ADAEMN CCOCCN1CC[C@H](C)[C@@H](F)C1 388251650 538430010 /nfs/dbraw/zinc/43/00/10/538430010.db2.gz XAENTNIMGUWZIY-UWVGGRQHSA-N 0 1 189.274 1.703 10 0 ADAEMN CCOCCN1CC[C@@H](C)[C@@H](F)C1 388251652 538430414 /nfs/dbraw/zinc/43/04/14/538430414.db2.gz XAENTNIMGUWZIY-ZJUUUORDSA-N 0 1 189.274 1.703 10 0 ADAEMN CCOCCN1CC[C@@H](C)[C@H](F)C1 388251649 538430474 /nfs/dbraw/zinc/43/04/74/538430474.db2.gz XAENTNIMGUWZIY-NXEZZACHSA-N 0 1 189.274 1.703 10 0 ADAEMN CCOCCCNCc1cocn1 388256657 538430685 /nfs/dbraw/zinc/43/06/85/538430685.db2.gz ZPYCDOFTNFSHLK-UHFFFAOYSA-N 0 1 184.239 1.191 10 0 ADAEMN CCCCCNCc1cocn1 388479203 538432709 /nfs/dbraw/zinc/43/27/09/538432709.db2.gz SXHCPKOARJPUNI-UHFFFAOYSA-N 0 1 168.240 1.954 10 0 ADAEMN CCC1(CNCc2cocn2)CC1 388617321 538435026 /nfs/dbraw/zinc/43/50/26/538435026.db2.gz DGGUFEKMHQULTN-UHFFFAOYSA-N 0 1 180.251 1.954 10 0 ADAEMN CC1(CNCc2cocn2)CCC1 388650767 538435823 /nfs/dbraw/zinc/43/58/23/538435823.db2.gz RSVXZJVOCDXDEI-UHFFFAOYSA-N 0 1 180.251 1.954 10 0 ADAEMN c1nc(CNCCCC2CC2)co1 388677453 538436077 /nfs/dbraw/zinc/43/60/77/538436077.db2.gz ZJPQPNFRKLCWNV-UHFFFAOYSA-N 0 1 180.251 1.954 10 0 ADAEMN COC[C@@H](C)CNCc1cocn1 388780752 538437182 /nfs/dbraw/zinc/43/71/82/538437182.db2.gz JLMSEBLDWWQFQQ-QMMMGPOBSA-N 0 1 184.239 1.047 10 0 ADAEMN COC[C@H](C)CNCc1cocn1 388780747 538437324 /nfs/dbraw/zinc/43/73/24/538437324.db2.gz JLMSEBLDWWQFQQ-MRVPVSSYSA-N 0 1 184.239 1.047 10 0 ADAEMN CC[C@@H](O)CCCNCc1cocn1 389197711 538438854 /nfs/dbraw/zinc/43/88/54/538438854.db2.gz BNZXVJGIAMHRRC-SNVBAGLBSA-N 0 1 198.266 1.315 10 0 ADAEMN OC1(CCNCc2cocn2)CCC1 389247266 538439602 /nfs/dbraw/zinc/43/96/02/538439602.db2.gz CBSLZSZDXKMYRQ-UHFFFAOYSA-N 0 1 196.250 1.069 10 0 ADAEMN OCC1(NCc2cocn2)CCCC1 389264694 538439941 /nfs/dbraw/zinc/43/99/41/538439941.db2.gz HXKYPRHARYVHPP-UHFFFAOYSA-N 0 1 196.250 1.069 10 0 ADAEMN CC(C)[C@@](C)(CO)NCc1ccon1 389278510 538440162 /nfs/dbraw/zinc/44/01/62/538440162.db2.gz QILJNOZABAHCAU-SNVBAGLBSA-N 0 1 198.266 1.171 10 0 ADAEMN CC(C)[C@](C)(CO)NCc1ccon1 389278509 538440358 /nfs/dbraw/zinc/44/03/58/538440358.db2.gz QILJNOZABAHCAU-JTQLQIEISA-N 0 1 198.266 1.171 10 0 ADAEMN FCCNCc1n[nH]c2ccccc12 389294797 538440552 /nfs/dbraw/zinc/44/05/52/538440552.db2.gz FQQUSOMOIASQTK-UHFFFAOYSA-N 0 1 193.225 1.622 10 0 ADAEMN FCCNCc1[nH]nc2ccccc12 389294797 538440554 /nfs/dbraw/zinc/44/05/54/538440554.db2.gz FQQUSOMOIASQTK-UHFFFAOYSA-N 0 1 193.225 1.622 10 0 ADAEMN C1Cc2c(NCC3CC3)noc2CN1 667611558 538442145 /nfs/dbraw/zinc/44/21/45/538442145.db2.gz GLIDSJDFENXOHJ-UHFFFAOYSA-N 0 1 193.250 1.142 10 0 ADAEMN CC[C@](O)(CN(C)C)C(F)(F)F 669379626 538444781 /nfs/dbraw/zinc/44/47/81/538444781.db2.gz GFCUBALMTYGLML-LURJTMIESA-N 0 1 185.189 1.251 10 0 ADAEMN NCc1cc2ccc(C=O)cc2o1 669379012 538444833 /nfs/dbraw/zinc/44/48/33/538444833.db2.gz SCDGHBBEVQGRHM-UHFFFAOYSA-N 0 1 175.187 1.704 10 0 ADAEMN CC[C@@](O)(CN(C)C)C(F)(F)F 669379627 538444888 /nfs/dbraw/zinc/44/48/88/538444888.db2.gz GFCUBALMTYGLML-ZCFIWIBFSA-N 0 1 185.189 1.251 10 0 ADAEMN CC[N@@H+](C)Cc1cncc(C(=O)[O-])c1 669378366 538445209 /nfs/dbraw/zinc/44/52/09/538445209.db2.gz BNXVISMDSSWKQW-UHFFFAOYSA-N 0 1 194.234 1.232 10 0 ADAEMN OCc1csc(CNC2CCC2)n1 669379475 538445334 /nfs/dbraw/zinc/44/53/34/538445334.db2.gz CYWPCMXNUQHXQA-UHFFFAOYSA-N 0 1 198.291 1.278 10 0 ADAEMN NCc1cc2cc(C=O)ccc2o1 669378946 538445338 /nfs/dbraw/zinc/44/53/38/538445338.db2.gz PSVYHRWRBJRFFP-UHFFFAOYSA-N 0 1 175.187 1.704 10 0 ADAEMN CCNCc1csnc1OCC 669381787 538445493 /nfs/dbraw/zinc/44/54/93/538445493.db2.gz VKIZGAQHAVTREE-UHFFFAOYSA-N 0 1 186.280 1.651 10 0 ADAEMN CC[C@@H]1C[C@H](C(=O)[O-])[C@H]2CCC[N@@H+]12 669382426 538445630 /nfs/dbraw/zinc/44/56/30/538445630.db2.gz LGGKNCGKNJWESY-HRDYMLBCSA-N 0 1 183.251 1.334 10 0 ADAEMN CC[C@@H]1C[C@@H](C(=O)[O-])[C@H]2CCC[N@@H+]12 669382428 538445647 /nfs/dbraw/zinc/44/56/47/538445647.db2.gz LGGKNCGKNJWESY-IWSPIJDZSA-N 0 1 183.251 1.334 10 0 ADAEMN CCOc1nscc1CNC 669381763 538445673 /nfs/dbraw/zinc/44/56/73/538445673.db2.gz UMHXZWZQCWXSRE-UHFFFAOYSA-N 0 1 172.253 1.261 10 0 ADAEMN CC[C@@H]1C[C@H](C(=O)[O-])[C@@H]2CCC[N@H+]21 669382430 538445956 /nfs/dbraw/zinc/44/59/56/538445956.db2.gz LGGKNCGKNJWESY-VGMNWLOBSA-N 0 1 183.251 1.334 10 0 ADAEMN CC[C@@H]1C[C@@H](C(=O)[O-])[C@@H]2CCC[N@H+]21 669382424 538445969 /nfs/dbraw/zinc/44/59/69/538445969.db2.gz LGGKNCGKNJWESY-HLTSFMKQSA-N 0 1 183.251 1.334 10 0 ADAEMN CCCNc1noc2c1CCNC2 669385107 538446800 /nfs/dbraw/zinc/44/68/00/538446800.db2.gz YITQSPXYLWHSAG-UHFFFAOYSA-N 0 1 181.239 1.142 10 0 ADAEMN CC(C)CNc1noc2c1CCNC2 669384864 538447024 /nfs/dbraw/zinc/44/70/24/538447024.db2.gz KMJJGMYZCGWFSM-UHFFFAOYSA-N 0 1 195.266 1.388 10 0 ADAEMN Cc1coc2c1CNC2 675051406 538447553 /nfs/dbraw/zinc/44/75/53/538447553.db2.gz JUGJWDYEOPGRAP-UHFFFAOYSA-N 0 1 123.155 1.191 10 0 ADAEMN c1oc2c(c1CC1CC1)CNC2 675051592 538447584 /nfs/dbraw/zinc/44/75/84/538447584.db2.gz PAHICYXWYOWRIP-UHFFFAOYSA-N 0 1 163.220 1.835 10 0 ADAEMN CCCc1coc2c1CNC2 675051202 538447824 /nfs/dbraw/zinc/44/78/24/538447824.db2.gz DOZCZMUHMDNDKQ-UHFFFAOYSA-N 0 1 151.209 1.835 10 0 ADAEMN Cc1[nH]n(C)c(=O)c1CC(C)C 675053761 538448119 /nfs/dbraw/zinc/44/81/19/538448119.db2.gz KSKMIWJMDYDFRO-UHFFFAOYSA-N 0 1 168.240 1.633 10 0 ADAEMN CC1=NN(C)C(=O)C1c1ccncc1 675053789 538448161 /nfs/dbraw/zinc/44/81/61/538448161.db2.gz LJHDAKNWCBAIJO-UHFFFAOYSA-N 0 1 189.218 1.496 10 0 ADAEMN Cc1[nH]n(C)c(=O)c1-c1ccncc1 675053789 538448162 /nfs/dbraw/zinc/44/81/62/538448162.db2.gz LJHDAKNWCBAIJO-UHFFFAOYSA-N 0 1 189.218 1.496 10 0 ADAEMN CC1=NN(C)C(=O)C1C1=CCCO1 675054883 538448493 /nfs/dbraw/zinc/44/84/93/538448493.db2.gz VIVQYQHZUNPYDZ-UHFFFAOYSA-N 0 1 180.207 1.195 10 0 ADAEMN CC1=NN(C)C(=O)C1[C@@H]1CCC(=O)C1 675054300 538448528 /nfs/dbraw/zinc/44/85/28/538448528.db2.gz PNLHDJSPHYOBEQ-SSDOTTSWSA-N 0 1 194.234 1.271 10 0 ADAEMN Cc1[nH]n(C)c(=O)c1[C@@H]1CCC(=O)C1 675054300 538448529 /nfs/dbraw/zinc/44/85/29/538448529.db2.gz PNLHDJSPHYOBEQ-SSDOTTSWSA-N 0 1 194.234 1.271 10 0 ADAEMN CC1=NN(C)C(=O)C1[C@H]1CCC(=O)C1 675054304 538448864 /nfs/dbraw/zinc/44/88/64/538448864.db2.gz PNLHDJSPHYOBEQ-ZETCQYMHSA-N 0 1 194.234 1.271 10 0 ADAEMN Cc1[nH]n(C)c(=O)c1[C@H]1CCC(=O)C1 675054304 538448865 /nfs/dbraw/zinc/44/88/65/538448865.db2.gz PNLHDJSPHYOBEQ-ZETCQYMHSA-N 0 1 194.234 1.271 10 0 ADAEMN CCOc1ccc([C@H](C)NCCO)o1 675057268 538449328 /nfs/dbraw/zinc/44/93/28/538449328.db2.gz ZUDDTRWGVGATMC-QMMMGPOBSA-N 0 1 199.250 1.321 10 0 ADAEMN CCOc1ccc([C@@H](C)NCCO)o1 675057267 538449330 /nfs/dbraw/zinc/44/93/30/538449330.db2.gz ZUDDTRWGVGATMC-MRVPVSSYSA-N 0 1 199.250 1.321 10 0 ADAEMN C[C@H]1CCc2cc(N)ncc2C1 675063694 538450214 /nfs/dbraw/zinc/45/02/14/538450214.db2.gz KTKITMBZKOQHGH-ZETCQYMHSA-N 0 1 162.236 1.789 10 0 ADAEMN C[C@@H]1CCc2cc(N)ncc2C1 675063693 538450275 /nfs/dbraw/zinc/45/02/75/538450275.db2.gz KTKITMBZKOQHGH-SSDOTTSWSA-N 0 1 162.236 1.789 10 0 ADAEMN Nc1cc2c(cn1)CC(F)(F)CC2 675064197 538450675 /nfs/dbraw/zinc/45/06/75/538450675.db2.gz XIACGZJNKGRTHV-UHFFFAOYSA-N 0 1 184.189 1.788 10 0 ADAEMN CC[N@H+]1CC[C@@H](C)[C@@H](F)C1 201017773 541314184 /nfs/dbraw/zinc/31/41/84/541314184.db2.gz DEZBBJVUDSDSIJ-SFYZADRCSA-N 0 1 145.221 1.686 10 0 ADAEMN CCC(=O)CNCc1ccccc1 201165168 541314459 /nfs/dbraw/zinc/31/44/59/541314459.db2.gz UEDKAGSEUXNVMA-UHFFFAOYSA-N 0 1 177.247 1.755 10 0 ADAEMN CCC[C@@H]1C[C@H]1[NH2+]Cc1cn[nH]c1C 231675130 541321138 /nfs/dbraw/zinc/32/11/38/541321138.db2.gz KLPJCPBRNXDEHC-MWLCHTKSSA-N 0 1 193.294 1.996 10 0 ADAEMN CCC[C@@H]1C[C@H]1NCc1cn(C)nn1 231673542 541321182 /nfs/dbraw/zinc/32/11/82/541321182.db2.gz SNPKPOHOYLHHJG-PSASIEDQSA-N 0 1 194.282 1.093 10 0 ADAEMN CC(C)C(=O)C=C([O-])c1cn(C)c[nH+]1 232584684 541323486 /nfs/dbraw/zinc/32/34/86/541323486.db2.gz HNRLWPDBBUYSHG-UHFFFAOYSA-N 0 1 194.234 1.218 10 0 ADAEMN C[C@H](N[C@@H](C)[C@H]1CCOC1)C(F)F 299899426 541326294 /nfs/dbraw/zinc/32/62/94/541326294.db2.gz ZDSBKGBYVVFZFJ-FXQIFTODSA-N 0 1 193.237 1.655 10 0 ADAEMN C[C@H](N[C@H](C)[C@H]1CCOC1)C(F)F 299899425 541326737 /nfs/dbraw/zinc/32/67/37/541326737.db2.gz ZDSBKGBYVVFZFJ-CSMHCCOUSA-N 0 1 193.237 1.655 10 0 ADAEMN FCCCN1CCO[C@@H](C2CC2)C1 388356413 541341253 /nfs/dbraw/zinc/34/12/53/541341253.db2.gz QVAMRURCKKKWLH-SNVBAGLBSA-N 0 1 187.258 1.457 10 0 ADAEMN Cc1cc(CNC2(CO)CC2)sn1 388375876 541341968 /nfs/dbraw/zinc/34/19/68/541341968.db2.gz ZGQDYFPAACCMRK-UHFFFAOYSA-N 0 1 198.291 1.066 10 0 ADAEMN FCCCN1CCO[C@H](C2CC2)C1 388356412 541342427 /nfs/dbraw/zinc/34/24/27/541342427.db2.gz QVAMRURCKKKWLH-JTQLQIEISA-N 0 1 187.258 1.457 10 0 ADAEMN C[C@@H](N)C(=O)c1cscc1Cl 606261494 541347233 /nfs/dbraw/zinc/34/72/33/541347233.db2.gz GFUIUYJEATWFKJ-SCSAIBSYSA-N 0 1 189.667 1.931 10 0 ADAEMN C[C@H](N)C(=O)c1cscc1Cl 606261492 541347360 /nfs/dbraw/zinc/34/73/60/541347360.db2.gz GFUIUYJEATWFKJ-BYPYZUCNSA-N 0 1 189.667 1.931 10 0 ADAEMN CNCc1csnc1OC(C)C 669381200 541348583 /nfs/dbraw/zinc/34/85/83/541348583.db2.gz BDSHKTVNERYCEG-UHFFFAOYSA-N 0 1 186.280 1.650 10 0 ADAEMN CC[C@@](O)(CN1CCC1)C(F)(F)F 669379928 541349927 /nfs/dbraw/zinc/34/99/27/541349927.db2.gz MUGVQGFXFCLABX-SSDOTTSWSA-N 0 1 197.200 1.396 10 0 ADAEMN CC[C@](O)(CN1CCC1)C(F)(F)F 669379929 541350174 /nfs/dbraw/zinc/35/01/74/541350174.db2.gz MUGVQGFXFCLABX-ZETCQYMHSA-N 0 1 197.200 1.396 10 0 ADAEMN CC(C)[C@H]([NH3+])c1nnc(C(F)F)[n-]1 675060734 541352261 /nfs/dbraw/zinc/35/22/61/541352261.db2.gz NKWPYUUZXOLGEP-BYPYZUCNSA-N 0 1 190.197 1.398 10 0 ADAEMN CC(C)[C@H]([NH3+])c1nc(C(F)F)n[n-]1 675060734 541352264 /nfs/dbraw/zinc/35/22/64/541352264.db2.gz NKWPYUUZXOLGEP-BYPYZUCNSA-N 0 1 190.197 1.398 10 0 ADAEMN CCCCN(C)c1nccnc1CN 54376968 756966657 /nfs/dbraw/zinc/96/66/57/756966657.db2.gz GQLJDPNQPCGYCG-UHFFFAOYSA-N 0 1 194.282 1.172 10 0 ADAEMN c1cc(Nc2cncnc2)ccn1 82714570 756977455 /nfs/dbraw/zinc/97/74/55/756977455.db2.gz WQDYFWDNESIENH-UHFFFAOYSA-N 0 1 172.191 1.615 10 0 ADAEMN Cc1ccnc(CN2CCC2)c1 168986718 757018902 /nfs/dbraw/zinc/01/89/02/757018902.db2.gz ZBTMXBVIXXQGGB-UHFFFAOYSA-N 0 1 162.236 1.596 10 0 ADAEMN CCC(CC)C(=O)Nc1c[nH]nn1 170208348 757021438 /nfs/dbraw/zinc/02/14/38/757021438.db2.gz WMLALJJPMFCWOO-UHFFFAOYSA-N 0 1 182.227 1.179 10 0 ADAEMN Cc1cccnc1CN(C)C 197304601 757026712 /nfs/dbraw/zinc/02/67/12/757026712.db2.gz RINZZQYTEPAIIW-UHFFFAOYSA-N 0 1 150.225 1.452 10 0 ADAEMN CCOC(=O)c1ccc(CN(C)C)[nH]1 259766913 757041483 /nfs/dbraw/zinc/04/14/83/757041483.db2.gz GEKAFVGXZFHDBL-UHFFFAOYSA-N 0 1 196.250 1.253 10 0 ADAEMN COc1cc(O)ccc1CN(C)C 258229107 757042680 /nfs/dbraw/zinc/04/26/80/757042680.db2.gz YGNLTZNBHRECGU-UHFFFAOYSA-N 0 1 181.235 1.462 10 0 ADAEMN OC1CN(CCC2CCCCC2)C1 300747409 757053673 /nfs/dbraw/zinc/05/36/73/757053673.db2.gz JURGLTYOMQVXSS-UHFFFAOYSA-N 0 1 183.295 1.633 10 0 ADAEMN COC(C)(C)[C@@H](C)NCc1ncc[nH]1 301036080 757055499 /nfs/dbraw/zinc/05/54/99/757055499.db2.gz XBTMZQKXXKJINZ-MRVPVSSYSA-N 0 1 197.282 1.313 10 0 ADAEMN COC(C)(C)[C@H](C)NCc1ncc[nH]1 301036081 757056692 /nfs/dbraw/zinc/05/66/92/757056692.db2.gz XBTMZQKXXKJINZ-QMMMGPOBSA-N 0 1 197.282 1.313 10 0 ADAEMN c1cncc(CN2CCC2)c1 306396900 757064687 /nfs/dbraw/zinc/06/46/87/757064687.db2.gz UMZZJZMYCJUGQM-UHFFFAOYSA-N 0 1 148.209 1.287 10 0 ADAEMN Cc1cccc(CN2CCC2)n1 306491375 757066763 /nfs/dbraw/zinc/06/67/63/757066763.db2.gz LPPCJOVGAXWNHY-UHFFFAOYSA-N 0 1 162.236 1.596 10 0 ADAEMN CC[N@@H+]([C@H](C)C(=O)[O-])C(C)(C)C 11960182 571736380 /nfs/dbraw/zinc/73/63/80/571736380.db2.gz IFNIKULKYIILPJ-SSDOTTSWSA-N 0 1 173.256 1.580 10 0 ADAEMN C[C@@H](CN1CCC1)C(F)(F)F 306553470 757068640 /nfs/dbraw/zinc/06/86/40/757068640.db2.gz DRZAFEVZNHAQDI-LURJTMIESA-N 0 1 167.174 1.891 10 0 ADAEMN C[C@H](CN1CCC1)C(F)(F)F 306553473 757069010 /nfs/dbraw/zinc/06/90/10/757069010.db2.gz DRZAFEVZNHAQDI-ZCFIWIBFSA-N 0 1 167.174 1.891 10 0 ADAEMN CC[C@@H](C[C@H](C)O)NCc1cocn1 716827645 674026233 /nfs/dbraw/zinc/02/62/33/674026233.db2.gz HOZNIVUZPYBQBO-IUCAKERBSA-N 0 1 198.266 1.314 10 0 ADAEMN CCN(C)Cc1ccc(F)cn1 306606153 757070574 /nfs/dbraw/zinc/07/05/74/757070574.db2.gz QZCLPJYTGONVIA-UHFFFAOYSA-N 0 1 168.215 1.672 10 0 ADAEMN CC[C@H](C[C@H](C)O)NCc1cocn1 716827637 674026283 /nfs/dbraw/zinc/02/62/83/674026283.db2.gz HOZNIVUZPYBQBO-DTWKUNHWSA-N 0 1 198.266 1.314 10 0 ADAEMN CC[C@H]1CCCN1Cc1ncc[nH]1 306708308 757071692 /nfs/dbraw/zinc/07/16/92/757071692.db2.gz KRZXTHDWHZTGFB-VIFPVBQESA-N 0 1 179.267 1.784 10 0 ADAEMN CC[C@@H](C[C@@H](C)O)NCc1cocn1 716827632 674026312 /nfs/dbraw/zinc/02/63/12/674026312.db2.gz HOZNIVUZPYBQBO-BDAKNGLRSA-N 0 1 198.266 1.314 10 0 ADAEMN CC[C@H](C[C@@H](C)O)NCc1cocn1 716827652 674026314 /nfs/dbraw/zinc/02/63/14/674026314.db2.gz HOZNIVUZPYBQBO-RKDXNWHRSA-N 0 1 198.266 1.314 10 0 ADAEMN CC1CCN(Cc2cnoc2)CC1 306712794 757072475 /nfs/dbraw/zinc/07/24/75/757072475.db2.gz PCXGLSRXICFZHB-UHFFFAOYSA-N 0 1 180.251 1.907 10 0 ADAEMN Cc1cc(CNC(=O)OC(C)C)n[nH]1 716791733 674026373 /nfs/dbraw/zinc/02/63/73/674026373.db2.gz JWBFJYCXKCUEET-UHFFFAOYSA-N 0 1 197.238 1.353 10 0 ADAEMN CC[C@@H]1CCCN1Cc1ncc[nH]1 306708307 757073518 /nfs/dbraw/zinc/07/35/18/757073518.db2.gz KRZXTHDWHZTGFB-SECBINFHSA-N 0 1 179.267 1.784 10 0 ADAEMN COc1ccccc1CN1CCC1 306757375 757074404 /nfs/dbraw/zinc/07/44/04/757074404.db2.gz NGBDMOFEDNNBHA-UHFFFAOYSA-N 0 1 177.247 1.901 10 0 ADAEMN CN(Cc1ccoc1)C1CC(O)C1 306755365 757075464 /nfs/dbraw/zinc/07/54/64/757075464.db2.gz OROXSIIIZLEEGO-UHFFFAOYSA-N 0 1 181.235 1.235 10 0 ADAEMN Cc1ccncc1CN1CCC1 306788776 757077120 /nfs/dbraw/zinc/07/71/20/757077120.db2.gz OVYAKMVMYPDKIV-UHFFFAOYSA-N 0 1 162.236 1.596 10 0 ADAEMN C/C=C/COCc1cc(CN)no1 52594767 571686505 /nfs/dbraw/zinc/68/65/05/571686505.db2.gz NFHCBJXULSAVTD-NSCUHMNNSA-N 0 1 182.223 1.226 10 0 ADAEMN C[N@H+]1CCC[C@H](/C=C/CC(=O)[O-])C1 687680194 571922545 /nfs/dbraw/zinc/92/25/45/571922545.db2.gz NTXVYQRMGUBNDI-LXOKAJLYSA-N 0 1 183.251 1.359 10 0 ADAEMN c1coc(CN2CCC2)c1 306972432 757082559 /nfs/dbraw/zinc/08/25/59/757082559.db2.gz VYJYWENPZVTOIE-UHFFFAOYSA-N 0 1 137.182 1.485 10 0 ADAEMN c1cc(CN2CCC2)co1 307001001 757082790 /nfs/dbraw/zinc/08/27/90/757082790.db2.gz AWMGLTNFIZPHKX-UHFFFAOYSA-N 0 1 137.182 1.485 10 0 ADAEMN Cc1ncsc1CN1CCC1 306996270 757084826 /nfs/dbraw/zinc/08/48/26/757084826.db2.gz SEGRNBLJOLTENG-UHFFFAOYSA-N 0 1 168.265 1.657 10 0 ADAEMN CC[C@@H](COC)Nc1nccn1CC 70626064 571704976 /nfs/dbraw/zinc/70/49/76/571704976.db2.gz QNNRLVMNPIAURF-VIFPVBQESA-N 0 1 197.282 1.740 10 0 ADAEMN c1cnc(CN[C@H]2C[C@@H]3C[C@@H]3C2)nc1 307165419 757086436 /nfs/dbraw/zinc/08/64/36/757086436.db2.gz LNCKMSYLRCFJAU-ILWJIGKKSA-N 0 1 189.262 1.365 10 0 ADAEMN CC[S@@](=O)c1ccccc1O 32249942 571976736 /nfs/dbraw/zinc/97/67/36/571976736.db2.gz ILGRDXRBPFWJAW-NSHDSACASA-N 0 1 170.233 1.520 10 0 ADAEMN [NH3+]CCc1ccc2ocnc2c1[O-] 214176875 571727271 /nfs/dbraw/zinc/72/72/71/571727271.db2.gz NFZBEGRBCBWNSK-UHFFFAOYSA-N 0 1 178.191 1.035 10 0 ADAEMN Cc1nnc(CN[C@H]2C[C@@H]3C[C@@H]3C2)o1 307529481 757093697 /nfs/dbraw/zinc/09/36/97/757093697.db2.gz LQMNYVZUMZWUQI-AYMMMOKOSA-N 0 1 193.250 1.266 10 0 ADAEMN CCN(C)Cc1cnoc1 307533931 757094048 /nfs/dbraw/zinc/09/40/48/757094048.db2.gz HLFFIPYJUJXAMU-UHFFFAOYSA-N 0 1 140.186 1.126 10 0 ADAEMN CC[C@H](CO)Nc1ncc(C)cc1C 307602066 757095388 /nfs/dbraw/zinc/09/53/88/757095388.db2.gz VYKIIQZTSACNMH-SNVBAGLBSA-N 0 1 194.278 1.881 10 0 ADAEMN CC(=O)c1cc(CN(C)C)ccc1O 116761166 571736420 /nfs/dbraw/zinc/73/64/20/571736420.db2.gz JNOCLYTXUULGCX-UHFFFAOYSA-N 0 1 193.246 1.656 10 0 ADAEMN CC[C@@H](CO)Nc1ncc(C)cc1C 307602065 757095566 /nfs/dbraw/zinc/09/55/66/757095566.db2.gz VYKIIQZTSACNMH-JTQLQIEISA-N 0 1 194.278 1.881 10 0 ADAEMN CC1(C)C[C@H](NCc2cnco2)CO1 307673140 757096475 /nfs/dbraw/zinc/09/64/75/757096475.db2.gz ASIGZLRBOISABP-QMMMGPOBSA-N 0 1 196.250 1.332 10 0 ADAEMN CC1(CNCc2ccoc2)OCCO1 307678180 757096721 /nfs/dbraw/zinc/09/67/21/757096721.db2.gz NPXSTJQFTMZSSG-UHFFFAOYSA-N 0 1 197.234 1.132 10 0 ADAEMN COc1ccsc1CN1CCC1 307665631 757096808 /nfs/dbraw/zinc/09/68/08/757096808.db2.gz LWWVTEWLWAJBMR-UHFFFAOYSA-N 0 1 183.276 1.962 10 0 ADAEMN c1nocc1CN1CCCC1 307674202 757096890 /nfs/dbraw/zinc/09/68/90/757096890.db2.gz DLXONGRYISQVFX-UHFFFAOYSA-N 0 1 152.197 1.270 10 0 ADAEMN CC[C@H](C)[N@@H+](C)[C@H](C)CC(=O)[O-] 252025095 571828376 /nfs/dbraw/zinc/82/83/76/571828376.db2.gz YCPYDYXJRFDUQE-JGVFFNPUSA-N 0 1 173.256 1.580 10 0 ADAEMN CC[C@@H]1CCC[N@@H+](C[C@H](C)C(=O)[O-])C1 251854163 571828405 /nfs/dbraw/zinc/82/84/05/571828405.db2.gz SCHPODDQFSYFSU-VHSXEESVSA-N 0 1 199.294 1.829 10 0 ADAEMN CC[C@H](C)[N@H+]1CC[C@@H](C(=O)[O-])C[C@@H]1C 234017885 571997500 /nfs/dbraw/zinc/99/75/00/571997500.db2.gz XLSOLAHAPLILEN-LPEHRKFASA-N 0 1 199.294 1.970 10 0 ADAEMN c1nc(CNC2CC2)cn1C1CCC1 300743558 571875796 /nfs/dbraw/zinc/87/57/96/571875796.db2.gz ODXIBHAGHMQROF-UHFFFAOYSA-N 0 1 191.278 1.860 10 0 ADAEMN Cc1nnc(CN[C@H](C)CC2CC2)o1 235434694 571906394 /nfs/dbraw/zinc/90/63/94/571906394.db2.gz LSFNZYXQTKMSBQ-SSDOTTSWSA-N 0 1 195.266 1.656 10 0 ADAEMN COC1CC(N[C@H](C)c2ncc[nH]2)C1 234738894 571921809 /nfs/dbraw/zinc/92/18/09/571921809.db2.gz HLKGVRHYBOAPRL-AFPNSQJFSA-N 0 1 195.266 1.238 10 0 ADAEMN CC(C)C[C@H](C)Cn1ncnc1CN 300887218 572019287 /nfs/dbraw/zinc/01/92/87/572019287.db2.gz JLXOXZNXJSZXIA-VIFPVBQESA-N 0 1 196.298 1.419 10 0 ADAEMN CC1=CCN(Cc2cncnc2)CC1 335371019 757121703 /nfs/dbraw/zinc/12/17/03/757121703.db2.gz JHYWMXVBGCJRIX-UHFFFAOYSA-N 0 1 189.262 1.629 10 0 ADAEMN C[C@@H](N[C@@H]1CC12CC2)c1ncc[nH]1 335275455 757122114 /nfs/dbraw/zinc/12/21/14/757122114.db2.gz BABFOMIDNADEIR-HTQZYQBOSA-N 0 1 177.251 1.613 10 0 ADAEMN C[C@H](N[C@@H]1CC12CC2)c1ncc[nH]1 335275460 757122885 /nfs/dbraw/zinc/12/28/85/757122885.db2.gz BABFOMIDNADEIR-JGVFFNPUSA-N 0 1 177.251 1.613 10 0 ADAEMN CCC(C)(C)Cn1cc(CNC)nn1 713162218 571965844 /nfs/dbraw/zinc/96/58/44/571965844.db2.gz WLLXIUXMFDXQJT-UHFFFAOYSA-N 0 1 196.298 1.434 10 0 ADAEMN CCc1nc([C@H](N)C2CC2)no1 41093087 571970723 /nfs/dbraw/zinc/97/07/23/571970723.db2.gz BSFDSBUIIDZQBJ-SSDOTTSWSA-N 0 1 167.212 1.042 10 0 ADAEMN CC[C@@H](N)c1noc([C@H]2CCCO2)n1 41052416 571970793 /nfs/dbraw/zinc/97/07/93/571970793.db2.gz IHYZRDBPBCUZMG-RNFRBKRXSA-N 0 1 197.238 1.331 10 0 ADAEMN CC[C@H](N)c1noc(C2CCC2)n1 41052467 571970838 /nfs/dbraw/zinc/97/08/38/571970838.db2.gz GLPNSONIZPUHJQ-ZETCQYMHSA-N 0 1 181.239 1.747 10 0 ADAEMN CCOCc1nc([C@@H](N)CC)no1 41052483 571971618 /nfs/dbraw/zinc/97/16/18/571971618.db2.gz GFYMNGIAESQWOJ-LURJTMIESA-N 0 1 185.227 1.016 10 0 ADAEMN 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1.985 10 0 ADAEMN Cc1[nH+]ccn1[C@@H]1CC[C@H]1C(=O)[O-] 87919963 573001443 /nfs/dbraw/zinc/00/14/43/573001443.db2.gz AWFCJCBBQSMPQC-HTQZYQBOSA-N 0 1 180.207 1.227 10 0 ADAEMN O=Cc1c[nH]c(CN2C[C@H]3C[C@H]3C2)c1 113425718 573002747 /nfs/dbraw/zinc/00/27/47/573002747.db2.gz DEMAETFDBOLFOF-AOOOYVTPSA-N 0 1 190.246 1.279 10 0 ADAEMN CC(C)[N@@H+](C)[C@H]1CC[C@@H]1C(=O)[O-] 87920186 573005983 /nfs/dbraw/zinc/00/59/83/573005983.db2.gz BPWGVKGBPMEQRZ-YUMQZZPRSA-N 0 1 171.240 1.190 10 0 ADAEMN CNCc1csc(-c2cc[nH]c2)n1 259305336 573005991 /nfs/dbraw/zinc/00/59/91/573005991.db2.gz QXGBNGFHCHJRNS-UHFFFAOYSA-N 0 1 193.275 1.858 10 0 ADAEMN CCOC[C@@H](C)NC(=O)C(F)(F)F 82367749 573006096 /nfs/dbraw/zinc/00/60/96/573006096.db2.gz YFRGSHFEKZTQCQ-RXMQYKEDSA-N 0 1 199.172 1.090 10 0 ADAEMN Cc1c[nH+]c(N)c(C[C@H](C)C(=O)[O-])c1 87925710 573011272 /nfs/dbraw/zinc/01/12/72/573011272.db2.gz LONQJWAREJXRJQ-ZETCQYMHSA-N 0 1 194.234 1.235 10 0 ADAEMN CC[P@@H](C)=O 113528811 573011353 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258224647 573017782 /nfs/dbraw/zinc/01/77/82/573017782.db2.gz YXAAACRAZDHFNQ-SNVBAGLBSA-N 0 1 195.266 1.284 10 0 ADAEMN CC(C)[C@H](C)CNc1nc(N)n[nH]1 85420625 573019077 /nfs/dbraw/zinc/01/90/77/573019077.db2.gz MOIJSVZDCDZKIE-ZCFIWIBFSA-N 0 1 183.259 1.091 10 0 ADAEMN C[C@@H]1CCN(c2nc(N)n[nH]2)[C@H](C)C1 85420414 573019125 /nfs/dbraw/zinc/01/91/25/573019125.db2.gz GWKMEKINZZQNHA-RNFRBKRXSA-N 0 1 195.270 1.012 10 0 ADAEMN C[C@H]1CCCC[C@H]1Nc1nc(N)n[nH]1 85420055 573019165 /nfs/dbraw/zinc/01/91/65/573019165.db2.gz NLNDOXFFEAOSTJ-NKWVEPMBSA-N 0 1 195.270 1.378 10 0 ADAEMN Nc1n[nH]c(NCC2CCCCC2)n1 85420359 573020795 /nfs/dbraw/zinc/02/07/95/573020795.db2.gz TWERCNOBLWGJLL-UHFFFAOYSA-N 0 1 195.270 1.379 10 0 ADAEMN C[C@@H]1CCC[N@H+]1[C@@H](CC1CC1)C(=O)[O-] 308483909 573020854 /nfs/dbraw/zinc/02/08/54/573020854.db2.gz NXHSFVUCOBSTOQ-SCZZXKLOSA-N 0 1 197.278 1.724 10 0 ADAEMN C[C@@H]1CC[C@@H](C)N(c2nc(N)n[nH]2)C1 85420681 573020894 /nfs/dbraw/zinc/02/08/94/573020894.db2.gz YJYPAPCJUFFYET-RNFRBKRXSA-N 0 1 195.270 1.012 10 0 ADAEMN C[C@@H](Nc1nc(N)n[nH]1)c1ccco1 85420374 573020944 /nfs/dbraw/zinc/02/09/44/573020944.db2.gz VUIDFOHWANZYOY-RXMQYKEDSA-N 0 1 193.210 1.153 10 0 ADAEMN CC[C@H]1CCCN(c2nc(N)n[nH]2)C1 85420407 573017704 /nfs/dbraw/zinc/01/77/04/573017704.db2.gz XEQUUXZPSCQUAU-ZETCQYMHSA-N 0 1 195.270 1.013 10 0 ADAEMN C[C@H]1CCC[N@H+]1[C@@H](CC1CC1)C(=O)[O-] 308483911 573023302 /nfs/dbraw/zinc/02/33/02/573023302.db2.gz NXHSFVUCOBSTOQ-WPRPVWTQSA-N 0 1 197.278 1.724 10 0 ADAEMN C[C@@H]1C[C@@H]1NC(=O)C(F)(F)F 82403810 573023396 /nfs/dbraw/zinc/02/33/96/573023396.db2.gz XUBFFBHZXCEYDD-DMTCNVIQSA-N 0 1 167.130 1.073 10 0 ADAEMN C[C@H]1C[C@H]1NC(=O)C(F)(F)F 82403813 573026103 /nfs/dbraw/zinc/02/61/03/573026103.db2.gz XUBFFBHZXCEYDD-IUYQGCFVSA-N 0 1 167.130 1.073 10 0 ADAEMN C[C@H]1C/C(=C/C=C\C(=O)[O-])CC[N@H+]1C 308476873 573026194 /nfs/dbraw/zinc/02/61/94/573026194.db2.gz UREAMNPAOYNDFV-OJDRFRPPSA-N 0 1 195.262 1.668 10 0 ADAEMN CCCn1nc2c(c1C)CCNC2 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1.828 10 0 ADAEMN COC(=O)[C@H]1CC[C@@H](CC(C)(C)C)N1 215506006 573249782 /nfs/dbraw/zinc/24/97/82/573249782.db2.gz OTPNDRHZQYWIQQ-DTWKUNHWSA-N 0 1 199.294 1.716 10 0 ADAEMN Cc1cc(C(=N)NO)cnc1Cl 116140083 573249686 /nfs/dbraw/zinc/24/96/86/573249686.db2.gz XALFCPZYRIGCKW-UHFFFAOYSA-N 0 1 185.614 1.348 10 0 ADAEMN CC[N@@H+]1CC=C([C@H](C)C(=O)[O-])CC1 257983783 573250832 /nfs/dbraw/zinc/25/08/32/573250832.db2.gz HJEJUNNKQRAKCV-QMMMGPOBSA-N 0 1 183.251 1.359 10 0 ADAEMN Cc1ccc(C(=O)CNC(C)C)o1 259051507 573250861 /nfs/dbraw/zinc/25/08/61/573250861.db2.gz BXZMFHRXADZBRD-UHFFFAOYSA-N 0 1 181.235 1.769 10 0 ADAEMN O=C1COc2cc(O)cc(F)c21 116150651 573250938 /nfs/dbraw/zinc/25/09/38/573250938.db2.gz MRUPUVGHSQWXTK-UHFFFAOYSA-N 0 1 168.123 1.106 10 0 ADAEMN C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1NCc1cocn1 716641919 573253784 /nfs/dbraw/zinc/25/37/84/573253784.db2.gz ATRYAFZSQQNWGY-PXIYARARSA-N 0 1 192.262 1.809 10 0 ADAEMN C[N@H+]1CC[C@@H]([C@@]2(C(=O)[O-])CC2(C)C)C1 259052431 573253799 /nfs/dbraw/zinc/25/37/99/573253799.db2.gz VLQKPYQLJLDUTD-LDYMZIIASA-N 0 1 197.278 1.439 10 0 ADAEMN CNC1=N[C@H](C)[C@H](c2ccccc2)O1 238318395 573253944 /nfs/dbraw/zinc/25/39/44/573253944.db2.gz KJHUSRWROMIONA-PSASIEDQSA-N 0 1 190.246 1.722 10 0 ADAEMN Cc1ccc(C)c([C@H](O)N(C)C)c1 259394701 573255790 /nfs/dbraw/zinc/25/57/90/573255790.db2.gz HCYBRXWVYNMTKT-NSHDSACASA-N 0 1 179.263 1.856 10 0 ADAEMN C[NH2+]CCc1ccc([O-])c(F)c1F 257981748 573256312 /nfs/dbraw/zinc/25/63/12/573256312.db2.gz DVPOXKUWWYVPQL-UHFFFAOYSA-N 0 1 187.189 1.432 10 0 ADAEMN C[C@H](N)c1ncc2cccc(O)n12 258261733 573257253 /nfs/dbraw/zinc/25/72/53/573257253.db2.gz MJMFGTBHIGLNAG-LURJTMIESA-N 0 1 177.207 1.060 10 0 ADAEMN CN[C@@]1(C)c2ccccc2C(=O)N1C 238318988 573257257 /nfs/dbraw/zinc/25/72/57/573257257.db2.gz CXTRBRXAHSMBBK-LLVKDONJSA-N 0 1 190.246 1.164 10 0 ADAEMN C[N@H+]1CC[C@@H]([C@]2(C(=O)[O-])CC2(C)C)C1 259052423 573257278 /nfs/dbraw/zinc/25/72/78/573257278.db2.gz VLQKPYQLJLDUTD-KCJUWKMLSA-N 0 1 197.278 1.439 10 0 ADAEMN CC[N@H+]1CC[C@@](C)(CC(=O)[O-])C1 259397389 573257312 /nfs/dbraw/zinc/25/73/12/573257312.db2.gz MCBZARNKQNIPIO-VIFPVBQESA-N 0 1 171.240 1.193 10 0 ADAEMN C[C@@H]1CO[C@](C)(c2cccs2)N1 258264458 573257799 /nfs/dbraw/zinc/25/77/99/573257799.db2.gz AXYVPXOLXYEMMI-VXNVDRBHSA-N 0 1 183.276 1.929 10 0 ADAEMN CC[C@@H](NCCF)c1cncn1C 308329249 573257916 /nfs/dbraw/zinc/25/79/16/573257916.db2.gz HTXIVJAJOWYBQB-MRVPVSSYSA-N 0 1 185.246 1.430 10 0 ADAEMN CCc1coc([C@H](F)CN)n1 259399376 573259871 /nfs/dbraw/zinc/25/98/71/573259871.db2.gz RWBVEYJCZUXGDU-ZCFIWIBFSA-N 0 1 158.176 1.206 10 0 ADAEMN Cc1ccc([C@H](N)[C@@H](O)CC(C)C)o1 308531572 573261132 /nfs/dbraw/zinc/26/11/32/573261132.db2.gz CPPJHZVLJWMWLP-GXSJLCMTSA-N 0 1 197.278 1.995 10 0 ADAEMN CC[N@@H+](C/C=C/C(=O)[O-])CC(C)(C)C 308531023 573261146 /nfs/dbraw/zinc/26/11/46/573261146.db2.gz QRQPYXPXAPHTBT-VOTSOKGWSA-N 0 1 199.294 1.995 10 0 ADAEMN Cc1cc(C)cc([C@@H]2COCCN2)c1 82889977 573261208 /nfs/dbraw/zinc/26/12/08/573261208.db2.gz JRKHDYLFRMWMPF-LBPRGKRZSA-N 0 1 191.274 1.964 10 0 ADAEMN CN[C@@H](C)c1ncc2cccc(O)n12 258261570 573261219 /nfs/dbraw/zinc/26/12/19/573261219.db2.gz MIKNEUOUYFLRMZ-ZETCQYMHSA-N 0 1 191.234 1.320 10 0 ADAEMN CN1C=C(C(F)(F)F)C=C[C@@H]1N 238325998 573261228 /nfs/dbraw/zinc/26/12/28/573261228.db2.gz ABAJFLXGFXWBQR-ZCFIWIBFSA-N 0 1 178.157 1.219 10 0 ADAEMN CC(C)(C)C[C@H]1COC(CN)=N1 257983362 573261248 /nfs/dbraw/zinc/26/12/48/573261248.db2.gz DDIKFDUXKGZPIU-ZETCQYMHSA-N 0 1 170.256 1.179 10 0 ADAEMN C[C@@H](C(=O)[O-])[N@@H+](C1CC1)[C@H](C)C1CC1 308531589 573261394 /nfs/dbraw/zinc/26/13/94/573261394.db2.gz RVMCJZGICYAHKY-SFYZADRCSA-N 0 1 197.278 1.722 10 0 ADAEMN C[C@H](O)CCc1nc2ccncc2[nH]1 86085547 573261401 /nfs/dbraw/zinc/26/14/01/573261401.db2.gz BLYKWFKGAGQDBS-ZETCQYMHSA-N 0 1 191.234 1.271 10 0 ADAEMN C[C@H](O)CCc1nc2cnccc2[nH]1 86085547 573261404 /nfs/dbraw/zinc/26/14/04/573261404.db2.gz BLYKWFKGAGQDBS-ZETCQYMHSA-N 0 1 191.234 1.271 10 0 ADAEMN C/C=C\C[N@H+]1CC[C@H](CCC(=O)[O-])C1 308338493 573269190 /nfs/dbraw/zinc/26/91/90/573269190.db2.gz GBZMSHDPXXGUPQ-ZMWSMAPVSA-N 0 1 197.278 1.749 10 0 ADAEMN CCC(=O)CN(C)[C@H]1CCSC1 50180269 573269271 /nfs/dbraw/zinc/26/92/71/573269271.db2.gz HPKOLZCCBVLUKS-QMMMGPOBSA-N 0 1 187.308 1.403 10 0 ADAEMN Cn1ccnc1[C@H](N)C1=CCCCC1 236070461 573270178 /nfs/dbraw/zinc/27/01/78/573270178.db2.gz JZDKNTNSAOSYNF-SNVBAGLBSA-N 0 1 191.278 1.920 10 0 ADAEMN Cn1cnnc1[C@@H]1NCCCC1(C)C 236073507 573270368 /nfs/dbraw/zinc/27/03/68/573270368.db2.gz YUBMFXDFQWUKNX-QMMMGPOBSA-N 0 1 194.282 1.266 10 0 ADAEMN CCCC(=O)CN1CCCC[C@H]1CO 50184484 573270694 /nfs/dbraw/zinc/27/06/94/573270694.db2.gz WSQXDDOMHJZVHM-JTQLQIEISA-N 0 1 199.294 1.202 10 0 ADAEMN CCC(=O)CN(CC)[C@H](C)COC 50180100 573272839 /nfs/dbraw/zinc/27/28/39/573272839.db2.gz MKZXWSMFJGGGIR-SECBINFHSA-N 0 1 187.283 1.322 10 0 ADAEMN CC[C@@H](N)C(=O)c1c(F)cccc1F 74236476 573272855 /nfs/dbraw/zinc/27/28/55/573272855.db2.gz HQNJPNAXRNYJGK-MRVPVSSYSA-N 0 1 199.200 1.885 10 0 ADAEMN c1cnc(NN2CCCCC2)cn1 105663234 573273090 /nfs/dbraw/zinc/27/30/90/573273090.db2.gz WLLZDCVOUGAHAH-UHFFFAOYSA-N 0 1 178.239 1.289 10 0 ADAEMN CC(C)N1CC(=O)Nc2cnccc21 86158909 573273172 /nfs/dbraw/zinc/27/31/72/573273172.db2.gz FCSSXRTXSBHEFZ-UHFFFAOYSA-N 0 1 191.234 1.249 10 0 ADAEMN CC[N@H+]1CCCC[C@@H]1/C=C\CC(=O)[O-] 258271333 573273217 /nfs/dbraw/zinc/27/32/17/573273217.db2.gz RWWXBNWZQZARAA-ONRRBMGISA-N 0 1 197.278 1.892 10 0 ADAEMN C[C@@H](N)C(=O)Cc1c(F)cccc1F 74236455 573273261 /nfs/dbraw/zinc/27/32/61/573273261.db2.gz REKARTVDHWNQOS-ZCFIWIBFSA-N 0 1 199.200 1.424 10 0 ADAEMN CNc1ccnc(COC)c1 86134857 573273285 /nfs/dbraw/zinc/27/32/85/573273285.db2.gz VPHOMHJUFCZTTG-UHFFFAOYSA-N 0 1 152.197 1.270 10 0 ADAEMN C[C@H]1CN[C@@](C)(c2ccncc2)OC1 258269024 573273300 /nfs/dbraw/zinc/27/33/00/573273300.db2.gz BEVJZEUNPCOPON-GXSJLCMTSA-N 0 1 192.262 1.510 10 0 ADAEMN CCC(=O)CN1CCC(OC)CC1 50179791 573273319 /nfs/dbraw/zinc/27/33/19/573273319.db2.gz HBAJJUITIVVIMZ-UHFFFAOYSA-N 0 1 185.267 1.076 10 0 ADAEMN CCc1cc(=O)n(C(C)C)[nH]1 116396776 573275758 /nfs/dbraw/zinc/27/57/58/573275758.db2.gz UAJVGAMMUPFEAF-UHFFFAOYSA-N 0 1 154.213 1.732 10 0 ADAEMN C[C@@H](N)C(=O)Cc1ccccc1Cl 74238651 573275819 /nfs/dbraw/zinc/27/58/19/573275819.db2.gz IBCOSOQZQWAJEI-SSDOTTSWSA-N 0 1 197.665 1.799 10 0 ADAEMN CCn1[nH]c2c(c1=O)CCC2 116396842 573275886 /nfs/dbraw/zinc/27/58/86/573275886.db2.gz TWTGYNPPCIHDIA-UHFFFAOYSA-N 0 1 152.197 1.097 10 0 ADAEMN CCCc1cc(=O)n(CCC)[nH]1 116396872 573275971 /nfs/dbraw/zinc/27/59/71/573275971.db2.gz GWFMYIBJRBDBIF-UHFFFAOYSA-N 0 1 168.240 1.951 10 0 ADAEMN C[C@H](N)c1noc(-c2cncs2)n1 74242219 573276013 /nfs/dbraw/zinc/27/60/13/573276013.db2.gz IXFJQJWWRVELQO-BYPYZUCNSA-N 0 1 196.235 1.213 10 0 ADAEMN C[C@@H]1CN[C@@](C)(c2cccs2)O1 258618498 573276080 /nfs/dbraw/zinc/27/60/80/573276080.db2.gz RCUGGAPCTIDHMF-VXNVDRBHSA-N 0 1 183.276 1.929 10 0 ADAEMN Cc1ncsc1[C@@H]1CNCCC1=O 74241441 573276211 /nfs/dbraw/zinc/27/62/11/573276211.db2.gz HGSRUXOWVSMFIU-SSDOTTSWSA-N 0 1 196.275 1.098 10 0 ADAEMN COc1cc([O-])c(F)c(C[NH3+])c1F 257991513 573277218 /nfs/dbraw/zinc/27/72/18/573277218.db2.gz FROMJWHTIYMZCW-UHFFFAOYSA-N 0 1 189.161 1.138 10 0 ADAEMN CCc1cc(=O)n(CC)[nH]1 116396831 573277251 /nfs/dbraw/zinc/27/72/51/573277251.db2.gz JBIVKBHGZMHVBC-UHFFFAOYSA-N 0 1 140.186 1.171 10 0 ADAEMN CC(C)c1coc([C@@H]2NCC[C@H]2O)n1 74241928 573277285 /nfs/dbraw/zinc/27/72/85/573277285.db2.gz RWXPKOBQTDPVAN-RKDXNWHRSA-N 0 1 196.250 1.193 10 0 ADAEMN C[C@@H](C1CC1)[N@H+]1CCCC[C@@H]1C(=O)[O-] 74239387 573277301 /nfs/dbraw/zinc/27/73/01/573277301.db2.gz XYEXMGAYGUNVRI-WCBMZHEXSA-N 0 1 197.278 1.724 10 0 ADAEMN CCc1cc(=O)n([C@@H]2CCC[C@H]2O)[nH]1 116397333 573279152 /nfs/dbraw/zinc/27/91/52/573279152.db2.gz HZDQDRVKDXNWIW-RKDXNWHRSA-N 0 1 196.250 1.237 10 0 ADAEMN COC(C)(C)c1cc(C)n[nH]1 238331041 573279255 /nfs/dbraw/zinc/27/92/55/573279255.db2.gz UKDKIXPUSAMADV-UHFFFAOYSA-N 0 1 154.213 1.600 10 0 ADAEMN C[C@H](N)C(=O)Cc1cccc(Cl)c1 74238656 573279333 /nfs/dbraw/zinc/27/93/33/573279333.db2.gz DGRLKEHYSRSKEF-ZETCQYMHSA-N 0 1 197.665 1.799 10 0 ADAEMN C[C@H]1CN[C@](C)(c2cccs2)O1 258618471 573279438 /nfs/dbraw/zinc/27/94/38/573279438.db2.gz RCUGGAPCTIDHMF-CBAPKCEASA-N 0 1 183.276 1.929 10 0 ADAEMN Cn1[nH]c2c(c1=O)CCCCC2 116396566 573279484 /nfs/dbraw/zinc/27/94/84/573279484.db2.gz GMUONJJZTFTIMN-UHFFFAOYSA-N 0 1 166.224 1.395 10 0 ADAEMN Cc1cc(=O)n([C@@H]2CCCC[C@H]2O)[nH]1 116397355 573280832 /nfs/dbraw/zinc/28/08/32/573280832.db2.gz MSSAUORPFRKZQI-RKDXNWHRSA-N 0 1 196.250 1.373 10 0 ADAEMN CN[C@H](C)c1cc(F)nc(F)c1F 238332087 573280868 /nfs/dbraw/zinc/28/08/68/573280868.db2.gz DYZSBQJZFFJRJA-SCSAIBSYSA-N 0 1 190.168 1.779 10 0 ADAEMN CC1=NN([C@H]2CCC[C@H]2O)C(=O)C1C 116397345 573280889 /nfs/dbraw/zinc/28/08/89/573280889.db2.gz VMPAPIONZNECFP-DTWKUNHWSA-N 0 1 196.250 1.291 10 0 ADAEMN Cc1[nH]n([C@H]2CCC[C@H]2O)c(=O)c1C 116397345 573280892 /nfs/dbraw/zinc/28/08/92/573280892.db2.gz VMPAPIONZNECFP-DTWKUNHWSA-N 0 1 196.250 1.291 10 0 ADAEMN C[C@@H](O)c1[nH]nnc1-c1ccccc1 258490230 573280924 /nfs/dbraw/zinc/28/09/24/573280924.db2.gz FNTLHCKUYCNAPO-SSDOTTSWSA-N 0 1 189.218 1.525 10 0 ADAEMN Cc1[nH]n(CC(C)C)c(=O)c1C 116396696 573280944 /nfs/dbraw/zinc/28/09/44/573280944.db2.gz NZKRJUIPFKZEBG-UHFFFAOYSA-N 0 1 168.240 1.862 10 0 ADAEMN CC[C@H](C)n1[nH]c(C)cc1=O 116397031 573280984 /nfs/dbraw/zinc/28/09/84/573280984.db2.gz KOXOBNYLUWKVSJ-ZETCQYMHSA-N 0 1 154.213 1.868 10 0 ADAEMN CCCn1[nH]c(C)c(C)c1=O 116396920 573281078 /nfs/dbraw/zinc/28/10/78/573281078.db2.gz UTZKZTVNGAPIGZ-UHFFFAOYSA-N 0 1 154.213 1.616 10 0 ADAEMN Cc1cc(=O)n([C@@H](C)C2CC2)[nH]1 116397166 573281097 /nfs/dbraw/zinc/28/10/97/573281097.db2.gz MGKVKSKVBIHDDI-ZETCQYMHSA-N 0 1 166.224 1.868 10 0 ADAEMN Cc1cc(C(=O)[C@@H](N)C(C)C)c(C)[nH]1 74246209 573281099 /nfs/dbraw/zinc/28/10/99/573281099.db2.gz VXIBFAVPGNFGQX-JTQLQIEISA-N 0 1 194.278 1.798 10 0 ADAEMN Cc1cc(=O)n([C@H](C)C2CC2)[nH]1 116397169 573281177 /nfs/dbraw/zinc/28/11/77/573281177.db2.gz MGKVKSKVBIHDDI-SSDOTTSWSA-N 0 1 166.224 1.868 10 0 ADAEMN CCCn1[nH]c2c(c1=O)CCC2 116396903 573281275 /nfs/dbraw/zinc/28/12/75/573281275.db2.gz UUSBCGBQIADHCO-UHFFFAOYSA-N 0 1 166.224 1.487 10 0 ADAEMN CNCc1ncc(C)cc1F 238332594 573281277 /nfs/dbraw/zinc/28/12/77/573281277.db2.gz HDBRAFFMZRBLHQ-UHFFFAOYSA-N 0 1 154.188 1.249 10 0 ADAEMN Cc1nc(CO)[nH]c1-c1ccco1 258490107 573283774 /nfs/dbraw/zinc/28/37/74/573283774.db2.gz CUOZQHGGDCXBJZ-UHFFFAOYSA-N 0 1 178.191 1.470 10 0 ADAEMN Cc1ccsc1[C@H]1CNCCC1=O 74243222 573284366 /nfs/dbraw/zinc/28/43/66/573284366.db2.gz KNYZZTMSWDMFLQ-QMMMGPOBSA-N 0 1 195.287 1.703 10 0 ADAEMN Cc1ccsc1[C@@H]1CNCCC1=O 74243221 573284396 /nfs/dbraw/zinc/28/43/96/573284396.db2.gz KNYZZTMSWDMFLQ-MRVPVSSYSA-N 0 1 195.287 1.703 10 0 ADAEMN CN[C@@H](N)c1c(C)cc(C)cc1C 259402323 573284403 /nfs/dbraw/zinc/28/44/03/573284403.db2.gz OFFNSHNMJAGRAH-LLVKDONJSA-N 0 1 178.279 1.789 10 0 ADAEMN CC(C)C(c1nnc(CO)[nH]1)C(C)C 308537947 573284751 /nfs/dbraw/zinc/28/47/51/573284751.db2.gz LVBAVGLQBXVPHX-UHFFFAOYSA-N 0 1 197.282 1.693 10 0 ADAEMN CC(C)C(c1nc(CO)n[nH]1)C(C)C 308537947 573284757 /nfs/dbraw/zinc/28/47/57/573284757.db2.gz LVBAVGLQBXVPHX-UHFFFAOYSA-N 0 1 197.282 1.693 10 0 ADAEMN CCn1cnc([C@H](NC)[C@H](C)OC)c1 308537890 573284859 /nfs/dbraw/zinc/28/48/59/573284859.db2.gz LTASDBOIMZUDKU-WCBMZHEXSA-N 0 1 197.282 1.198 10 0 ADAEMN CCCc1ccc([C@@H](N)NC)cc1 259402248 573284868 /nfs/dbraw/zinc/28/48/68/573284868.db2.gz OENXSXMOCSZZCT-NSHDSACASA-N 0 1 178.279 1.816 10 0 ADAEMN Cc1cscc1[C@@H]1CNCCC1=O 74243213 573285156 /nfs/dbraw/zinc/28/51/56/573285156.db2.gz NYNYAMZUGJZGRX-QMMMGPOBSA-N 0 1 195.287 1.703 10 0 ADAEMN CCn1cnc([C@@H](NC)[C@@H](C)OC)c1 308537888 573285157 /nfs/dbraw/zinc/28/51/57/573285157.db2.gz LTASDBOIMZUDKU-SCZZXKLOSA-N 0 1 197.282 1.198 10 0 ADAEMN Cc1cscc1[C@H]1CNCCC1=O 74243215 573285166 /nfs/dbraw/zinc/28/51/66/573285166.db2.gz NYNYAMZUGJZGRX-MRVPVSSYSA-N 0 1 195.287 1.703 10 0 ADAEMN 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ADAEMN COc1cc(Cl)cc2c1[C@H](N)CO2 238334299 573286509 /nfs/dbraw/zinc/28/65/09/573286509.db2.gz IBVLAVMKPVCCIL-ZCFIWIBFSA-N 0 1 199.637 1.741 10 0 ADAEMN COC(=O)[C@H]1CCCCN1C(C)C 105980202 573286551 /nfs/dbraw/zinc/28/65/51/573286551.db2.gz RMGUAVMLMCSIJH-SECBINFHSA-N 0 1 185.267 1.422 10 0 ADAEMN COc1nc([C@H]2CCN(C)C2)cs1 259405699 573288105 /nfs/dbraw/zinc/28/81/05/573288105.db2.gz VWCGRLOBDWWEHA-ZETCQYMHSA-N 0 1 198.291 1.571 10 0 ADAEMN CC1=NC(=S)N(N2CCC2)C1C 716679801 573288125 /nfs/dbraw/zinc/28/81/25/573288125.db2.gz IREKXDBVPQPCLI-UHFFFAOYSA-N 0 1 183.280 1.130 10 0 ADAEMN NCc1cc(C[C@@H]2CCCOC2)on1 259404215 573288162 /nfs/dbraw/zinc/28/81/62/573288162.db2.gz XLQJFOQKERVRIY-QMMMGPOBSA-N 0 1 196.250 1.102 10 0 ADAEMN COC(=O)[C@@H]1CCCCN1C(C)C 105980204 573288214 /nfs/dbraw/zinc/28/82/14/573288214.db2.gz RMGUAVMLMCSIJH-VIFPVBQESA-N 0 1 185.267 1.422 10 0 ADAEMN C/C=C/[C@H]1CN[C@H](CC(C)C)C(=O)N1 222990043 573288222 /nfs/dbraw/zinc/28/82/22/573288222.db2.gz 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/nfs/dbraw/zinc/25/04/75/573250475.db2.gz JIMGOVQVGTVLLE-UHFFFAOYSA-N 0 1 146.193 1.897 10 0 ADAEMN CC[C@@H]1CC[C@H]1NCc1nnco1 308322944 573250595 /nfs/dbraw/zinc/25/05/95/573250595.db2.gz ZTVNJMMMXIOLQX-HTQZYQBOSA-N 0 1 181.239 1.348 10 0 ADAEMN CN[C@H](c1nccn1C)C(C)(C)OC 86073726 573250612 /nfs/dbraw/zinc/25/06/12/573250612.db2.gz YSDZDFFGLREQIQ-MRVPVSSYSA-N 0 1 197.282 1.106 10 0 ADAEMN CN1CCC[C@H](Oc2cnoc2)C1 258247418 573250665 /nfs/dbraw/zinc/25/06/65/573250665.db2.gz AJLYPLHQCRGFNY-QMMMGPOBSA-N 0 1 182.223 1.148 10 0 ADAEMN Cc1coc([C@@]2(O)CC[N@H+](C)C2)c1 715742990 573258555 /nfs/dbraw/zinc/25/85/55/573258555.db2.gz GTRWPPXZXSHHOL-SNVBAGLBSA-N 0 1 181.235 1.111 10 0 ADAEMN C[N@H+]1CCC[C@@H]1C/C=C\CC(=O)[O-] 258264427 573258242 /nfs/dbraw/zinc/25/82/42/573258242.db2.gz RKFDKXWVWTZLRT-XADBCAIWSA-N 0 1 183.251 1.502 10 0 ADAEMN Cc1ccc2noc(CN)c2c1 258613871 573258277 /nfs/dbraw/zinc/25/82/77/573258277.db2.gz WBOPBZUGYQFDOS-UHFFFAOYSA-N 0 1 162.192 1.595 10 0 ADAEMN [NH3+]CCCc1ccc(F)c([O-])c1F 257981571 573258292 /nfs/dbraw/zinc/25/82/92/573258292.db2.gz DTGZZXVCXDQFNN-UHFFFAOYSA-N 0 1 187.189 1.562 10 0 ADAEMN CCC[N@@H+](C)[C@@H](C)c1cncn1C 308329608 573258333 /nfs/dbraw/zinc/25/83/33/573258333.db2.gz IEDJHZYZMOCRGL-VIFPVBQESA-N 0 1 181.283 1.823 10 0 ADAEMN C[N@H+]1CCCC[C@@H]1C/C=C\C(=O)[O-] 258264650 573258348 /nfs/dbraw/zinc/25/83/48/573258348.db2.gz RNAWTRXGMBHJLO-WQAKUFEDSA-N 0 1 183.251 1.502 10 0 ADAEMN C[C@H]1CO[C@@](C)(c2cccs2)N1 258264435 573258364 /nfs/dbraw/zinc/25/83/64/573258364.db2.gz AXYVPXOLXYEMMI-CBAPKCEASA-N 0 1 183.276 1.929 10 0 ADAEMN Cc1nc(CO)[nH]c1C1CCCC1 257981500 573259247 /nfs/dbraw/zinc/25/92/47/573259247.db2.gz ZTNTVBGBMYPVBZ-UHFFFAOYSA-N 0 1 180.251 1.868 10 0 ADAEMN Cc1ncc2n1CC[C@H](C)C2 258263945 573259254 /nfs/dbraw/zinc/25/92/54/573259254.db2.gz MWQAROAYRKYCRN-ZETCQYMHSA-N 0 1 150.225 1.774 10 0 ADAEMN CC(=O)c1n[nH]c2c1C(F)(F)CC2 257981443 573259356 /nfs/dbraw/zinc/25/93/56/573259356.db2.gz ZSYAOATVPSGUHV-UHFFFAOYSA-N 0 1 186.161 1.650 10 0 ADAEMN C[C@@H](O)CCc1nc2ccncc2[nH]1 86085548 573258683 /nfs/dbraw/zinc/25/86/83/573258683.db2.gz BLYKWFKGAGQDBS-SSDOTTSWSA-N 0 1 191.234 1.271 10 0 ADAEMN C[C@@H](O)CCc1nc2cnccc2[nH]1 86085548 573258687 /nfs/dbraw/zinc/25/86/87/573258687.db2.gz BLYKWFKGAGQDBS-SSDOTTSWSA-N 0 1 191.234 1.271 10 0 ADAEMN C[N@H+]1CCCC[C@H]1C/C=C\C(=O)[O-] 258264653 573259372 /nfs/dbraw/zinc/25/93/72/573259372.db2.gz RNAWTRXGMBHJLO-WYDVEAGSSA-N 0 1 183.251 1.502 10 0 ADAEMN CC[C@H](NCCF)c1cncn1C 308329251 573258740 /nfs/dbraw/zinc/25/87/40/573258740.db2.gz HTXIVJAJOWYBQB-QMMMGPOBSA-N 0 1 185.246 1.430 10 0 ADAEMN CCC[N@@H+](C)[C@H](C)c1cncn1C 308329607 573258823 /nfs/dbraw/zinc/25/88/23/573258823.db2.gz IEDJHZYZMOCRGL-SECBINFHSA-N 0 1 181.283 1.823 10 0 ADAEMN C[N@H+]1CCC[C@H]1C/C=C\CC(=O)[O-] 258264423 573259051 /nfs/dbraw/zinc/25/90/51/573259051.db2.gz RKFDKXWVWTZLRT-PKRMOACSSA-N 0 1 183.251 1.502 10 0 ADAEMN COC(=O)c1c(F)ccc2cncn12 238327037 573259168 /nfs/dbraw/zinc/25/91/68/573259168.db2.gz WOFHICLBVZKACW-UHFFFAOYSA-N 0 1 194.165 1.260 10 0 ADAEMN C[C@H]1CO[C@](C)(c2cccs2)N1 258264446 573262394 /nfs/dbraw/zinc/26/23/94/573262394.db2.gz AXYVPXOLXYEMMI-IONNQARKSA-N 0 1 183.276 1.929 10 0 ADAEMN CN[C@H](C)c1ncc2cccc(O)n12 258261563 573262631 /nfs/dbraw/zinc/26/26/31/573262631.db2.gz MIKNEUOUYFLRMZ-SSDOTTSWSA-N 0 1 191.234 1.320 10 0 ADAEMN CC[C@H](C(=O)[O-])c1cn(C)c(C)[nH+]1 82886933 573262765 /nfs/dbraw/zinc/26/27/65/573262765.db2.gz PRLJELYFEASILM-ZETCQYMHSA-N 0 1 182.223 1.307 10 0 ADAEMN Cc1cc(C)cc([C@H]2COCCN2)c1 82889978 573262835 /nfs/dbraw/zinc/26/28/35/573262835.db2.gz JRKHDYLFRMWMPF-GFCCVEGCSA-N 0 1 191.274 1.964 10 0 ADAEMN CCCn1[nH]c(C)cc1=O 116396863 573278033 /nfs/dbraw/zinc/27/80/33/573278033.db2.gz XCHRESXWGWNHSI-UHFFFAOYSA-N 0 1 140.186 1.307 10 0 ADAEMN CCc1cc(=O)n(CC(C)C)[nH]1 116396672 573277320 /nfs/dbraw/zinc/27/73/20/573277320.db2.gz DGFPPKYERVHNOL-UHFFFAOYSA-N 0 1 168.240 1.807 10 0 ADAEMN CC1(C)N[C@@H](C2CCCC2)CNC1=O 74241359 573277333 /nfs/dbraw/zinc/27/73/33/573277333.db2.gz VIEOGFOZQMOUDT-SECBINFHSA-N 0 1 196.294 1.043 10 0 ADAEMN NCc1csc(-c2nccs2)n1 74239120 573277428 /nfs/dbraw/zinc/27/74/28/573277428.db2.gz SQCQKAIPUGQYMH-UHFFFAOYSA-N 0 1 197.288 1.725 10 0 ADAEMN C[C@@H]1CN[C@](C)(c2cccs2)O1 258618454 573277469 /nfs/dbraw/zinc/27/74/69/573277469.db2.gz RCUGGAPCTIDHMF-APPZFPTMSA-N 0 1 183.276 1.929 10 0 ADAEMN COC(=O)c1nc(CC(C)C)c(C)[nH]1 258489953 573277528 /nfs/dbraw/zinc/27/75/28/573277528.db2.gz CQFCFLBTSKILAL-UHFFFAOYSA-N 0 1 196.250 1.703 10 0 ADAEMN CC1=NN([C@@H]2CCC[C@@H]2O)C(=O)C1C 116397338 573277594 /nfs/dbraw/zinc/27/75/94/573277594.db2.gz VMPAPIONZNECFP-BDAKNGLRSA-N 0 1 196.250 1.291 10 0 ADAEMN Cc1[nH]n([C@@H]2CCC[C@@H]2O)c(=O)c1C 116397338 573277598 /nfs/dbraw/zinc/27/75/98/573277598.db2.gz VMPAPIONZNECFP-BDAKNGLRSA-N 0 1 196.250 1.291 10 0 ADAEMN COc1ccc(C(=O)[C@H](C)N)c(F)c1 74240474 573277611 /nfs/dbraw/zinc/27/76/11/573277611.db2.gz BGNPVNUYNFYQRM-LURJTMIESA-N 0 1 197.209 1.364 10 0 ADAEMN CCCC(=O)CN1CC[C@](C)(OC)C1 308536534 573277654 /nfs/dbraw/zinc/27/76/54/573277654.db2.gz RZSDXHUPMJNDGM-NSHDSACASA-N 0 1 199.294 1.466 10 0 ADAEMN CCc1cc(=O)n([C@@H]2CCC[C@@H]2O)[nH]1 116397326 573277661 /nfs/dbraw/zinc/27/76/61/573277661.db2.gz HZDQDRVKDXNWIW-BDAKNGLRSA-N 0 1 196.250 1.237 10 0 ADAEMN Cc1ncsc1[C@H]1CNCCC1=O 74241443 573277675 /nfs/dbraw/zinc/27/76/75/573277675.db2.gz HGSRUXOWVSMFIU-ZETCQYMHSA-N 0 1 196.275 1.098 10 0 ADAEMN O=C([O-])c1cc(C[NH2+]C2CC2)ns1 257992166 573277826 /nfs/dbraw/zinc/27/78/26/573277826.db2.gz YBYSSZPBYYNHML-UHFFFAOYSA-N 0 1 198.247 1.093 10 0 ADAEMN CC[C@@H]1C(=O)Nc2cnccc2N1C 86159338 573277958 /nfs/dbraw/zinc/27/79/58/573277958.db2.gz WRXJKXGLEZAFMB-MRVPVSSYSA-N 0 1 191.234 1.249 10 0 ADAEMN CC1=NN(C(C)(C)C)C(=O)C1C 116396645 573277969 /nfs/dbraw/zinc/27/79/69/573277969.db2.gz XMMCCINRBFOGMN-UHFFFAOYSA-N 0 1 168.240 1.961 10 0 ADAEMN Cc1[nH]n(C(C)(C)C)c(=O)c1C 116396645 573277975 /nfs/dbraw/zinc/27/79/75/573277975.db2.gz XMMCCINRBFOGMN-UHFFFAOYSA-N 0 1 168.240 1.961 10 0 ADAEMN Cc1cn[nH]c1[C@@H]1CC(=O)C[C@@H](C)N1 74248089 573290203 /nfs/dbraw/zinc/29/02/03/573290203.db2.gz XSNLHJTUPXVHSS-APPZFPTMSA-N 0 1 193.250 1.100 10 0 ADAEMN O=C1CCNC[C@@H]1c1cccc(F)c1 74248385 573290260 /nfs/dbraw/zinc/29/02/60/573290260.db2.gz KPXOUPWXTIIMOS-SNVBAGLBSA-N 0 1 193.221 1.472 10 0 ADAEMN C[N@H+]1CCCC[C@H]1C/C=C\CC(=O)[O-] 258279976 573290263 /nfs/dbraw/zinc/29/02/63/573290263.db2.gz SLRJVVYZHSKHKZ-MXQLGCADSA-N 0 1 197.278 1.892 10 0 ADAEMN CCC(CC)Cc1ccnc(CN)n1 74247447 573289615 /nfs/dbraw/zinc/28/96/15/573289615.db2.gz ZARHUOJCYUSPLU-UHFFFAOYSA-N 0 1 193.294 1.914 10 0 ADAEMN C[C@H](N)c1cnc(C[C@H]2CCCO2)o1 257994414 573289632 /nfs/dbraw/zinc/28/96/32/573289632.db2.gz IGBFLGRJAYKGPO-JGVFFNPUSA-N 0 1 196.250 1.416 10 0 ADAEMN CN[C@H](N)c1c(C)cc(C)cc1C 259404633 573289691 /nfs/dbraw/zinc/28/96/91/573289691.db2.gz OFFNSHNMJAGRAH-NSHDSACASA-N 0 1 178.279 1.789 10 0 ADAEMN N[C@H](CC1CC1)C(=O)Cc1ccco1 74248203 573289739 /nfs/dbraw/zinc/28/97/39/573289739.db2.gz CNDQMOKWNRAJPM-SNVBAGLBSA-N 0 1 193.246 1.519 10 0 ADAEMN Cc1ncc2c(O)cccn12 258620406 573289852 /nfs/dbraw/zinc/28/98/52/573289852.db2.gz WRRKWFJYRAAESY-UHFFFAOYSA-N 0 1 148.165 1.348 10 0 ADAEMN Cc1cn[nH]c1[C@@H]1CC(=O)C[C@H](C)N1 74248087 573289957 /nfs/dbraw/zinc/28/99/57/573289957.db2.gz XSNLHJTUPXVHSS-CBAPKCEASA-N 0 1 193.250 1.100 10 0 ADAEMN COc1cc(Cl)cc2c(N)[nH]nc12 238334768 573289967 /nfs/dbraw/zinc/28/99/67/573289967.db2.gz GZFVYMSBTJCVNJ-UHFFFAOYSA-N 0 1 197.625 1.807 10 0 ADAEMN COc1nc([C@@H]2CCN(C)C2)cs1 259405696 573290069 /nfs/dbraw/zinc/29/00/69/573290069.db2.gz VWCGRLOBDWWEHA-SSDOTTSWSA-N 0 1 198.291 1.571 10 0 ADAEMN Cc1[nH]c(-c2cscn2)nc1C=O 74248328 573290076 /nfs/dbraw/zinc/29/00/76/573290076.db2.gz SUAVASVHFVHQFN-UHFFFAOYSA-N 0 1 193.231 1.654 10 0 ADAEMN CCc1[nH]c2c([nH+]1)CC[C@H]2CC(=O)[O-] 74246685 573290119 /nfs/dbraw/zinc/29/01/19/573290119.db2.gz MVMSUQKZBQGLAE-LURJTMIESA-N 0 1 194.234 1.477 10 0 ADAEMN CCC[C@@H]1C[C@]1(O)c1cn[nH]c1C 86202664 573312254 /nfs/dbraw/zinc/31/22/54/573312254.db2.gz IUYCOHXFASXSAT-PSASIEDQSA-N 0 1 180.251 1.726 10 0 ADAEMN CCC[C@H]1C[C@@]1(N)c1ncccn1 86205952 573312268 /nfs/dbraw/zinc/31/22/68/573312268.db2.gz CFNAZEVQCSQPBE-WPRPVWTQSA-N 0 1 177.251 1.451 10 0 ADAEMN CC(C)NCc1coc(N2CCC2)n1 308546111 573312276 /nfs/dbraw/zinc/31/22/76/573312276.db2.gz PQSJQOLNUMPXSS-UHFFFAOYSA-N 0 1 195.266 1.383 10 0 ADAEMN C[N@H+]1CCC[C@@H]([C@@H](F)CC(=O)[O-])C1 238346731 573312281 /nfs/dbraw/zinc/31/22/81/573312281.db2.gz OUNRACOMRVAKET-SFYZADRCSA-N 0 1 189.230 1.141 10 0 ADAEMN COc1cc(C(F)F)c(O)c(=O)[nH]1 238346825 573311904 /nfs/dbraw/zinc/31/19/04/573311904.db2.gz UHSDQCILFLHIHY-UHFFFAOYSA-N 0 1 191.133 1.439 10 0 ADAEMN CC(C)C1SC(CN)=NC1=O 106840573 573311908 /nfs/dbraw/zinc/31/19/08/573311908.db2.gz NXQDOGIKYUJMRI-UHFFFAOYSA-N 0 1 172.253 1.431 10 0 ADAEMN C=Cc1cc(N)ncc1C 209761764 573311963 /nfs/dbraw/zinc/31/19/63/573311963.db2.gz CABYTZNSIQLIEB-UHFFFAOYSA-N 0 1 134.182 1.615 10 0 ADAEMN C[C@H]1CCO[C@H]1c1nc(C2CC2)n[nH]1 124042531 573311978 /nfs/dbraw/zinc/31/19/78/573311978.db2.gz PPWFGVOLBVWWOM-POYBYMJQSA-N 0 1 193.250 1.780 10 0 ADAEMN C[C@H]1CCO[C@H]1c1n[nH]c(C2CC2)n1 124042531 573311986 /nfs/dbraw/zinc/31/19/86/573311986.db2.gz PPWFGVOLBVWWOM-POYBYMJQSA-N 0 1 193.250 1.780 10 0 ADAEMN CC[N@H+]1CCCC[C@H]1/C=C\C(=O)[O-] 258253136 573312064 /nfs/dbraw/zinc/31/20/64/573312064.db2.gz QTQUVUNWYSNMTM-NMTCXDENSA-N 0 1 183.251 1.502 10 0 ADAEMN [NH3+]C/C=C/c1cc(F)c([O-])cc1F 258001307 573312179 /nfs/dbraw/zinc/31/21/79/573312179.db2.gz GMGSBEAJDJYHFQ-OWOJBTEDSA-N 0 1 185.173 1.642 10 0 ADAEMN CCC[C@H]1CC[N@@H+](C/C=C/C(=O)[O-])C1 132547267 573313151 /nfs/dbraw/zinc/31/31/51/573313151.db2.gz DXKFBCPFNZIALL-GFAPAMAISA-N 0 1 197.278 1.749 10 0 ADAEMN CNc1cnnc2ccc(N)cc12 238346628 573313197 /nfs/dbraw/zinc/31/31/97/573313197.db2.gz PUOBGUBCVZRYFN-UHFFFAOYSA-N 0 1 174.207 1.254 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CC(C)c1nc2n(n1)C[C@H](F)C[C@H]2N 107817957 573654955 /nfs/dbraw/zinc/65/49/55/573654955.db2.gz UUMZRUAFIGWZGD-RNFRBKRXSA-N 0 1 198.245 1.143 10 0 ADAEMN COc1cc(C(C)=O)cc(C=O)c1O 198436007 573654972 /nfs/dbraw/zinc/65/49/72/573654972.db2.gz RVWPXPVTVSQICU-UHFFFAOYSA-N 0 1 194.186 1.416 10 0 ADAEMN Cc1cnc2c(c1)C[C@H](C)CN2 238458513 573654976 /nfs/dbraw/zinc/65/49/76/573654976.db2.gz ZOZJZEAWFVKEAN-QMMMGPOBSA-N 0 1 162.236 1.994 10 0 ADAEMN C[NH2+]Cc1c[nH]c([C@H]2C[C@@H]2C)n1 83810689 573654987 /nfs/dbraw/zinc/65/49/87/573654987.db2.gz JGZQBGLECAFLNS-XPUUQOCRSA-N 0 1 165.240 1.253 10 0 ADAEMN COCCNc1ccc2c[nH]nc2c1 107807227 573655126 /nfs/dbraw/zinc/65/51/26/573655126.db2.gz JPVSJGPPVKUYKH-UHFFFAOYSA-N 0 1 191.234 1.621 10 0 ADAEMN Cc1ccsc1CCN(C)CO 258842237 573655207 /nfs/dbraw/zinc/65/52/07/573655207.db2.gz CIWNOJHWWDBXEN-UHFFFAOYSA-N 0 1 185.292 1.481 10 0 ADAEMN ON=C1C=CC=C2C=NC=C[C@@H]21 388468671 573655295 /nfs/dbraw/zinc/65/52/95/573655295.db2.gz KYGAVXLDFAZMPU-QMMMGPOBSA-N 0 1 160.176 1.527 10 0 ADAEMN FC(F)(F)[C@H]1CNCc2cc[nH]c21 257841604 573655312 /nfs/dbraw/zinc/65/53/12/573655312.db2.gz MHWWDSXPZCGQRV-LURJTMIESA-N 0 1 190.168 1.764 10 0 ADAEMN CC1(C)CCc2sc(CN)nc21 86857587 573655351 /nfs/dbraw/zinc/65/53/51/573655351.db2.gz SEJXYMKNTFZBAU-UHFFFAOYSA-N 0 1 182.292 1.826 10 0 ADAEMN Cn1cc(NCN)c2ccccc21 258836273 573655355 /nfs/dbraw/zinc/65/53/55/573655355.db2.gz HPPGEZYLFDEOBZ-UHFFFAOYSA-N 0 1 175.235 1.506 10 0 ADAEMN Cc1cc(N)ncc1[C@H]1CCC(=O)C1 238458157 573657129 /nfs/dbraw/zinc/65/71/29/573657129.db2.gz SCOMKZOLKBCCAV-QMMMGPOBSA-N 0 1 190.246 1.809 10 0 ADAEMN C[C@H](N)c1ncc2cc(F)ccc2n1 257843379 573657865 /nfs/dbraw/zinc/65/78/65/573657865.db2.gz MYFKCTIXFQOUGV-LURJTMIESA-N 0 1 191.209 1.789 10 0 ADAEMN C[C@H]1CCc2nc3c(n2C1)CCNC3 107832258 573657873 /nfs/dbraw/zinc/65/78/73/573657873.db2.gz RGAGTZJQGOIMKY-QMMMGPOBSA-N 0 1 191.278 1.111 10 0 ADAEMN Cc1cn2cc(C(=O)[O-])cc(C)c2[nH+]1 107832394 573657241 /nfs/dbraw/zinc/65/72/41/573657241.db2.gz UQUBDMLOBOHDDF-UHFFFAOYSA-N 0 1 190.202 1.649 10 0 ADAEMN C[C@H]1CCC[C@](N)(c2nc(N)no2)C1 83812083 573657329 /nfs/dbraw/zinc/65/73/29/573657329.db2.gz OAHUIJAGGICFNR-IMTBSYHQSA-N 0 1 196.254 1.016 10 0 ADAEMN CCc1ccc(CCN(C)CO)cc1 258849072 573657432 /nfs/dbraw/zinc/65/74/32/573657432.db2.gz DHJFWBGXMLKRMU-UHFFFAOYSA-N 0 1 193.290 1.673 10 0 ADAEMN CC1CCC(N)(c2nc(N)no2)CC1 83811971 573657510 /nfs/dbraw/zinc/65/75/10/573657510.db2.gz LGNLTOSFJKGNLP-UHFFFAOYSA-N 0 1 196.254 1.016 10 0 ADAEMN c1csc(NC[C@@H]2COCCN2)c1 258851132 573657552 /nfs/dbraw/zinc/65/75/52/573657552.db2.gz FZEWLDDQLDWSOG-MRVPVSSYSA-N 0 1 198.291 1.148 10 0 ADAEMN C[NH2+]Cc1c[nH]c([C@@H]2C[C@@H]2C)n1 83810691 573657559 /nfs/dbraw/zinc/65/75/59/573657559.db2.gz JGZQBGLECAFLNS-POYBYMJQSA-N 0 1 165.240 1.253 10 0 ADAEMN C[N@@H+](C[C@@H]1C[C@@H]1C(=O)[O-])C1CCCC1 258846431 573657566 /nfs/dbraw/zinc/65/75/66/573657566.db2.gz INWDTWDVRYKGGU-WPRPVWTQSA-N 0 1 197.278 1.582 10 0 ADAEMN C[C@H](CC[N@@H+](C)C(C)(C)C)C(=O)[O-] 258851634 573657595 /nfs/dbraw/zinc/65/75/95/573657595.db2.gz JASBXCDOZHZJRL-MRVPVSSYSA-N 0 1 187.283 1.828 10 0 ADAEMN C[C@@H](N)c1nc2n(n1)CCC[C@H]2F 107829481 573657606 /nfs/dbraw/zinc/65/76/06/573657606.db2.gz RQZLBXHVKDWPNJ-PHDIDXHHSA-N 0 1 184.218 1.102 10 0 ADAEMN C[C@@H]1CCC[N@H+]1C1(CC(=O)[O-])CCC1 86852779 573657646 /nfs/dbraw/zinc/65/76/46/573657646.db2.gz VXMCHICDSAOGJM-SECBINFHSA-N 0 1 197.278 1.868 10 0 ADAEMN Clc1cncc(-c2nnc[nH]2)c1 144624133 573657688 /nfs/dbraw/zinc/65/76/88/573657688.db2.gz LZQBNWZXYQHIEO-UHFFFAOYSA-N 0 1 180.598 1.520 10 0 ADAEMN CC(C)[N@@H+](C)CC[C@@H](C)C(=O)[O-] 258847959 573657696 /nfs/dbraw/zinc/65/76/96/573657696.db2.gz IQJYXKZZGKWMCG-MRVPVSSYSA-N 0 1 173.256 1.437 10 0 ADAEMN CN(CN)c1c[nH]c2ccccc12 258853657 573657750 /nfs/dbraw/zinc/65/77/50/573657750.db2.gz JEISGQFMIZBOQK-UHFFFAOYSA-N 0 1 175.235 1.520 10 0 ADAEMN CN[C@@H](N)c1ccc(OC)c(C)c1 259545719 573658396 /nfs/dbraw/zinc/65/83/96/573658396.db2.gz XHDUCXYZXPNGHH-SNVBAGLBSA-N 0 1 180.251 1.180 10 0 ADAEMN CC1(C)CCc2nc(C=O)[nH]c21 86867497 573658433 /nfs/dbraw/zinc/65/84/33/573658433.db2.gz YEDUTRXYZLVBKS-UHFFFAOYSA-N 0 1 164.208 1.446 10 0 ADAEMN CCc1ccc(N(C)CNC)cc1 258846198 573658545 /nfs/dbraw/zinc/65/85/45/573658545.db2.gz ILEHVLQXNBUQRN-UHFFFAOYSA-N 0 1 178.279 1.862 10 0 ADAEMN C[N@H+]1CCCC[C@@H]1/C=C\CC(=O)[O-] 258081104 573658739 /nfs/dbraw/zinc/65/87/39/573658739.db2.gz FXOYFAGIHRMSFF-XTULLQBASA-N 0 1 183.251 1.502 10 0 ADAEMN C[C@H]1NCCc2ccc(O)c(F)c21 75642832 573659017 /nfs/dbraw/zinc/65/90/17/573659017.db2.gz UFMRGLZMMHGROP-ZCFIWIBFSA-N 0 1 181.210 1.738 10 0 ADAEMN CCOC(=O)[C@]1(N)CCCC1(C)C 86866275 573659105 /nfs/dbraw/zinc/65/91/05/573659105.db2.gz WVOAKIVUVXSHEU-SNVBAGLBSA-N 0 1 185.267 1.457 10 0 ADAEMN [NH3+]C/C=C/c1cc(F)c([O-])c(F)c1 258083303 573659107 /nfs/dbraw/zinc/65/91/07/573659107.db2.gz NHRJIPSTLCUVGP-OWOJBTEDSA-N 0 1 185.173 1.642 10 0 ADAEMN CCCc1nc2c(s1)CCNC2 258509059 573659126 /nfs/dbraw/zinc/65/91/26/573659126.db2.gz CWDJGVJJDIYCDH-UHFFFAOYSA-N 0 1 182.292 1.741 10 0 ADAEMN Cc1c(N)ccc2nc3c(n12)CCC3 107828592 573659176 /nfs/dbraw/zinc/65/91/76/573659176.db2.gz WTLMFYHUHWSLMB-UHFFFAOYSA-N 0 1 187.246 1.714 10 0 ADAEMN CC1(C)CCC[C@]1(N)c1ncon1 86866941 573659249 /nfs/dbraw/zinc/65/92/49/573659249.db2.gz QYTFYQSJCSZUMQ-VIFPVBQESA-N 0 1 181.239 1.434 10 0 ADAEMN COc1cc(C)c(C(N)N)c(C)c1C 259545724 573659298 /nfs/dbraw/zinc/65/92/98/573659298.db2.gz XHLOGRGYWYXDDD-UHFFFAOYSA-N 0 1 194.278 1.536 10 0 ADAEMN C[C@H]([NH3+])c1ncc([C@H]2CCCS2)[nH]1 257842502 573659607 /nfs/dbraw/zinc/65/96/07/573659607.db2.gz CBWLVDWPYLMNOA-POYBYMJQSA-N 0 1 197.307 1.998 10 0 ADAEMN CN[C@@H](OC)c1cccc(F)c1 259153310 573659683 /nfs/dbraw/zinc/65/96/83/573659683.db2.gz IGZPZQZNJOAECM-VIFPVBQESA-N 0 1 169.199 1.690 10 0 ADAEMN CN1CCC[C@H]1c1csc(CN)n1 257843682 573662708 /nfs/dbraw/zinc/66/27/08/573662708.db2.gz CMFUGPMPILQVAO-QMMMGPOBSA-N 0 1 197.307 1.369 10 0 ADAEMN C[C@@H]1CCCn2c1nc1c2CCNC1 107832261 573663052 /nfs/dbraw/zinc/66/30/52/573663052.db2.gz GTDCFNLDSLGOII-MRVPVSSYSA-N 0 1 191.278 1.426 10 0 ADAEMN Cc1cc(N)c2occ(O)c2c1 238472441 573663082 /nfs/dbraw/zinc/66/30/82/573663082.db2.gz ZGCXCOOUUOVWIY-UHFFFAOYSA-N 0 1 163.176 1.152 10 0 ADAEMN CCO[C@@H](C)c1nc([C@@H](C)N)no1 308664683 573663354 /nfs/dbraw/zinc/66/33/54/573663354.db2.gz RVJWBIPUINOHDS-RITPCOANSA-N 0 1 185.227 1.187 10 0 ADAEMN Cc1ccc(C)c(CN(C)CO)c1 258857660 573663411 /nfs/dbraw/zinc/66/34/11/573663411.db2.gz FCCKGXSHCVSDCU-UHFFFAOYSA-N 0 1 179.263 1.685 10 0 ADAEMN [O-]c1c(F)ccc([C@@H]2CC[NH2+]C2)c1F 258084346 573663463 /nfs/dbraw/zinc/66/34/63/573663463.db2.gz JDFVIOLBTAYSTP-ZCFIWIBFSA-N 0 1 199.200 1.747 10 0 ADAEMN C[N@H+]1CC[C@@H](CC(F)(F)C(=O)[O-])C1 257844405 573665113 /nfs/dbraw/zinc/66/51/13/573665113.db2.gz NDAADKFRBFYCHN-LURJTMIESA-N 0 1 193.193 1.048 10 0 ADAEMN Cc1ccc2c(n1)NCCCN2 83823852 573665133 /nfs/dbraw/zinc/66/51/33/573665133.db2.gz RIVLALPZTKPRSW-UHFFFAOYSA-N 0 1 163.224 1.618 10 0 ADAEMN CNCNc1ccc(OC)c(F)c1 258855368 573665171 /nfs/dbraw/zinc/66/51/71/573665171.db2.gz JKQWNTAKQZONSJ-UHFFFAOYSA-N 0 1 184.214 1.423 10 0 ADAEMN Cc1ccccc1-c1nn[nH]c1CO 258861536 573665191 /nfs/dbraw/zinc/66/51/91/573665191.db2.gz SWJCMEXAIWCRIO-UHFFFAOYSA-N 0 1 189.218 1.272 10 0 ADAEMN CC1(C)CCC[C@@]12CN=C(N)O2 86869960 573665304 /nfs/dbraw/zinc/66/53/04/573665304.db2.gz RCKVRXSZGUKKON-SECBINFHSA-N 0 1 168.240 1.280 10 0 ADAEMN C[C@@H]1CC(C)(C)C[C@]2(CN=C(N)O2)C1 83824564 573665338 /nfs/dbraw/zinc/66/53/38/573665338.db2.gz VBYFBQCQPGRYDM-KCJUWKMLSA-N 0 1 196.294 1.916 10 0 ADAEMN CCO[C@H](C)c1nc([C@@H](C)N)no1 308664682 573665352 /nfs/dbraw/zinc/66/53/52/573665352.db2.gz RVJWBIPUINOHDS-PHDIDXHHSA-N 0 1 185.227 1.187 10 0 ADAEMN Cc1cc(N)ncc1N1CCCCC1 107846150 573665387 /nfs/dbraw/zinc/66/53/87/573665387.db2.gz OCPWQQUALYLYSD-UHFFFAOYSA-N 0 1 191.278 1.963 10 0 ADAEMN C[C@@H]1CC(=O)[C@H]2CCC[C@@H]2N1C 238475197 573665397 /nfs/dbraw/zinc/66/53/97/573665397.db2.gz PFXLYCFTEPPGOI-VGMNWLOBSA-N 0 1 167.252 1.448 10 0 ADAEMN C[N@H+]1CC[C@H](CC(F)(F)C(=O)[O-])C1 257844406 573665401 /nfs/dbraw/zinc/66/54/01/573665401.db2.gz NDAADKFRBFYCHN-ZCFIWIBFSA-N 0 1 193.193 1.048 10 0 ADAEMN C[C@H](O)Cc1cccc2c1CN(C)C2 257843922 573665649 /nfs/dbraw/zinc/66/56/49/573665649.db2.gz NAQQQLYKXIARPN-VIFPVBQESA-N 0 1 191.274 1.555 10 0 ADAEMN CNc1nc(N)c2c(n1)CCC2(C)C 86870391 573665793 /nfs/dbraw/zinc/66/57/93/573665793.db2.gz RBWDLZQPIPXMCR-UHFFFAOYSA-N 0 1 192.266 1.324 10 0 ADAEMN COc1cc2c(cc1O)CNC21CC1 257844456 573667520 /nfs/dbraw/zinc/66/75/20/573667520.db2.gz NGAJTAVXYQZQEF-UHFFFAOYSA-N 0 1 191.230 1.493 10 0 ADAEMN Cc1ccnc(NCc2cnc[nH]2)n1 83824181 573667201 /nfs/dbraw/zinc/66/72/01/573667201.db2.gz ATJOXLWVLAUWNI-UHFFFAOYSA-N 0 1 189.222 1.120 10 0 ADAEMN C[N@@H+](C/C=C/C(=O)[O-])C(C)(C)C 258858087 573667209 /nfs/dbraw/zinc/66/72/09/573667209.db2.gz GTRDPIRMYKJOAZ-AATRIKPKSA-N 0 1 171.240 1.358 10 0 ADAEMN Cc1cc(=O)n(-c2nccs2)[nH]1 107892933 573667334 /nfs/dbraw/zinc/66/73/34/573667334.db2.gz VBNMLIKFXYXAGR-UHFFFAOYSA-N 0 1 181.220 1.256 10 0 ADAEMN CC[N@@H+](C)CC1(C(=O)[O-])CCC1 258858099 573667810 /nfs/dbraw/zinc/66/78/10/573667810.db2.gz AHSGVMIXNRQFSV-UHFFFAOYSA-N 0 1 171.240 1.193 10 0 ADAEMN C[C@@H](N)c1nnc2c(n1)CCCCC2 257843945 573667874 /nfs/dbraw/zinc/66/78/74/573667874.db2.gz NCHCZWPNKXBHNX-SSDOTTSWSA-N 0 1 192.266 1.160 10 0 ADAEMN CNCNc1ccc2c(c1)CCCO2 258855361 573668090 /nfs/dbraw/zinc/66/80/90/573668090.db2.gz JKGMBJQAFNPEAD-UHFFFAOYSA-N 0 1 192.262 1.600 10 0 ADAEMN NC1=NCC2(CCCCC2)O1 83824556 573668097 /nfs/dbraw/zinc/66/80/97/573668097.db2.gz NPQRDYLZIVFELX-UHFFFAOYSA-N 0 1 154.213 1.034 10 0 ADAEMN CC1(C)CCC[C@]12CN=C(N)O2 86869962 573668135 /nfs/dbraw/zinc/66/81/35/573668135.db2.gz RCKVRXSZGUKKON-VIFPVBQESA-N 0 1 168.240 1.280 10 0 ADAEMN Cc1cc2c(cc1NCN)OCCO2 258857468 573668141 /nfs/dbraw/zinc/66/81/41/573668141.db2.gz JOUBKOVIQVAFCY-UHFFFAOYSA-N 0 1 194.234 1.094 10 0 ADAEMN CC[C@@H](OC)c1nc([C@@H](C)N)no1 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ADAEMN C[S@](=O)c1ccc(O)c(Cl)c1 238507018 573764065 /nfs/dbraw/zinc/76/40/65/573764065.db2.gz MOCKZWMNLRFYQT-NSHDSACASA-N 0 1 190.651 1.783 10 0 ADAEMN CN(C)[C@H]1CCCc2c1ncn2C 76087262 573764225 /nfs/dbraw/zinc/76/42/25/573764225.db2.gz RJXHKMHLUCWZPH-QMMMGPOBSA-N 0 1 179.267 1.359 10 0 ADAEMN CCSCc1ncc(N)n1C 257868394 573764256 /nfs/dbraw/zinc/76/42/56/573764256.db2.gz HOBQOJBLUQXGLT-UHFFFAOYSA-N 0 1 171.269 1.255 10 0 ADAEMN CCC(C)(C)[N@@H+](C)[C@H](C(=O)[O-])C1CC1 84095033 573767124 /nfs/dbraw/zinc/76/71/24/573767124.db2.gz ZLELBAKHVKBPTL-VIFPVBQESA-N 0 1 199.294 1.970 10 0 ADAEMN c1cc(OC2CC2)c2nn[nH]c2c1 238092990 573767184 /nfs/dbraw/zinc/76/71/84/573767184.db2.gz VPKWNUXRPSUYMR-UHFFFAOYSA-N 0 1 175.191 1.499 10 0 ADAEMN NCC(F)(F)[C@@H]1CCCS1 258424007 573767210 /nfs/dbraw/zinc/76/72/10/573767210.db2.gz CFIVCPGHMSOPCJ-YFKPBYRVSA-N 0 1 167.224 1.476 10 0 ADAEMN CNCN(C)Cc1ccc(Cl)cc1 258929376 573767311 /nfs/dbraw/zinc/76/73/11/573767311.db2.gz RMFMJYSAMHBLAI-UHFFFAOYSA-N 0 1 198.697 1.949 10 0 ADAEMN Cc1[nH+]cn([C@H](C(=O)[O-])C2CC2)c1C 84092644 573767336 /nfs/dbraw/zinc/76/73/36/573767336.db2.gz NKSKNZVXQSHNDS-VIFPVBQESA-N 0 1 194.234 1.536 10 0 ADAEMN C[N@H+](CC1CCC1)C[C@H]1C[C@H]1C(=O)[O-] 258926372 573767349 /nfs/dbraw/zinc/76/73/49/573767349.db2.gz RCHGGSZJDIMYAU-NXEZZACHSA-N 0 1 197.278 1.439 10 0 ADAEMN Cc1cc(C(F)F)c(N)c(N)n1 238508596 573767538 /nfs/dbraw/zinc/76/75/38/573767538.db2.gz HMDIBMSUYMTXBK-UHFFFAOYSA-N 0 1 173.166 1.492 10 0 ADAEMN CCOc1ccc([C@@H](N)NC)cc1 259566408 573767609 /nfs/dbraw/zinc/76/76/09/573767609.db2.gz YHTXILBNQSGMMF-JTQLQIEISA-N 0 1 180.251 1.262 10 0 ADAEMN CCCc1cnc(Cl)[nH]c1=O 258422298 573767738 /nfs/dbraw/zinc/76/77/38/573767738.db2.gz CVSOGXPPHQQASW-UHFFFAOYSA-N 0 1 172.615 1.788 10 0 ADAEMN NCc1nccc([C@@H]2CCCS2)n1 258124876 573767820 /nfs/dbraw/zinc/76/78/20/573767820.db2.gz VDXULAOTEZCTJV-QMMMGPOBSA-N 0 1 195.291 1.503 10 0 ADAEMN CSCCCc1ccnc(N)c1 131137242 573767952 /nfs/dbraw/zinc/76/79/52/573767952.db2.gz BNFDWXFBHXNTQG-UHFFFAOYSA-N 0 1 182.292 1.959 10 0 ADAEMN Cc1[nH+]ccn1[C@H](C(=O)[O-])C1CC1 84091663 573770415 /nfs/dbraw/zinc/77/04/15/573770415.db2.gz ZHWAEBUVOLUZDJ-QMMMGPOBSA-N 0 1 180.207 1.227 10 0 ADAEMN CC(C)n1c(NN)nc2c1CCCC2 76095105 573770529 /nfs/dbraw/zinc/77/05/29/573770529.db2.gz LBAKMYLOINFQJY-UHFFFAOYSA-N 0 1 194.282 1.628 10 0 ADAEMN c1nc2c(cc1C1CC1)CNC2 238097055 573770670 /nfs/dbraw/zinc/77/06/70/573770670.db2.gz FWFRWNRMVPXEIR-UHFFFAOYSA-N 0 1 160.220 1.562 10 0 ADAEMN CCCc1c[nH]c([C@@H]2CNCCO2)n1 259178938 573772466 /nfs/dbraw/zinc/77/24/66/573772466.db2.gz VZDOFFUSRNICFF-VIFPVBQESA-N 0 1 195.266 1.023 10 0 ADAEMN CC(C)[C@H](C[C@H]1CC[N@@H+](C)C1)C(=O)[O-] 258128227 573772610 /nfs/dbraw/zinc/77/26/10/573772610.db2.gz QCUDXEMYTYEKOA-ZJUUUORDSA-N 0 1 199.294 1.685 10 0 ADAEMN c1[nH]c(CNC2CC2)nc1C1CCC1 259178948 573772669 /nfs/dbraw/zinc/77/26/69/573772669.db2.gz VZKNVOXDEWZBPP-UHFFFAOYSA-N 0 1 191.278 1.929 10 0 ADAEMN CN[C@@H](C)c1nnc(C2CC2)s1 84120143 573772991 /nfs/dbraw/zinc/77/29/91/573772991.db2.gz JHYHOIYNBGCFJZ-YFKPBYRVSA-N 0 1 183.280 1.696 10 0 ADAEMN CC[C@@H](NCc1nnco1)C1CC1 308435528 573773001 /nfs/dbraw/zinc/77/30/01/573773001.db2.gz WCJOIHFWTBBJFZ-MRVPVSSYSA-N 0 1 181.239 1.348 10 0 ADAEMN C[C@@]1(c2ncc(CN)o2)CCCCO1 258127904 573773105 /nfs/dbraw/zinc/77/31/05/573773105.db2.gz QBLLLUASJGSYOI-JTQLQIEISA-N 0 1 196.250 1.549 10 0 ADAEMN CO[C@@H](N)c1ccc2c(c1)ncn2C 259179511 573773109 /nfs/dbraw/zinc/77/31/09/573773109.db2.gz CQWIEQCXLBWRCN-SNVBAGLBSA-N 0 1 191.234 1.177 10 0 ADAEMN CCC[C@@H](C)N[C@H](C)c1nnnn1C 308715259 573774281 /nfs/dbraw/zinc/77/42/81/573774281.db2.gz AYBSYVKVQQSHEL-HTQZYQBOSA-N 0 1 197.286 1.049 10 0 ADAEMN CC[C@H]1CN=C([C@H]2CCCCN2)O1 258127328 573774405 /nfs/dbraw/zinc/77/44/05/573774405.db2.gz KGHMASCLACCKHZ-DTWKUNHWSA-N 0 1 182.267 1.336 10 0 ADAEMN CCc1nnc([C@@H](N)CC)s1 84117863 573774479 /nfs/dbraw/zinc/77/44/79/573774479.db2.gz BEZDGVGCIVBBHJ-YFKPBYRVSA-N 0 1 171.269 1.510 10 0 ADAEMN CC(=O)CNCc1ccccc1C 258932207 573774486 /nfs/dbraw/zinc/77/44/86/573774486.db2.gz OYGQDNABBHUIHG-UHFFFAOYSA-N 0 1 177.247 1.674 10 0 ADAEMN CCCc1nnc(CNC)s1 84118628 573774493 /nfs/dbraw/zinc/77/44/93/573774493.db2.gz FPOUJAYUMVTREV-UHFFFAOYSA-N 0 1 171.269 1.210 10 0 ADAEMN CCCc1ncc2c(N)cccn12 258423761 573774577 /nfs/dbraw/zinc/77/45/77/573774577.db2.gz VZJVUGUOROKMGC-UHFFFAOYSA-N 0 1 175.235 1.869 10 0 ADAEMN C[C@]1(c2ncc(CN)o2)CCCCO1 258127911 573774619 /nfs/dbraw/zinc/77/46/19/573774619.db2.gz QBLLLUASJGSYOI-SNVBAGLBSA-N 0 1 196.250 1.549 10 0 ADAEMN CN[C@H](C)c1nnc([C@@H]2C[C@@H]2C)s1 84119852 573774679 /nfs/dbraw/zinc/77/46/79/573774679.db2.gz WWWBWONXRAEJIG-RRKCRQDMSA-N 0 1 197.307 1.942 10 0 ADAEMN CNCc1nnc([C@H]2C[C@H]2C)s1 84118479 573774715 /nfs/dbraw/zinc/77/47/15/573774715.db2.gz OBWAGIMQVLBLNH-RITPCOANSA-N 0 1 183.280 1.381 10 0 ADAEMN CNCc1nnc([C@@H]2C[C@@H]2C)s1 84118484 573774728 /nfs/dbraw/zinc/77/47/28/573774728.db2.gz OBWAGIMQVLBLNH-NTSWFWBYSA-N 0 1 183.280 1.381 10 0 ADAEMN CC(C)[C@@H](C[C@H]1CC[N@@H+](C)C1)C(=O)[O-] 258128205 573774753 /nfs/dbraw/zinc/77/47/53/573774753.db2.gz QCUDXEMYTYEKOA-NXEZZACHSA-N 0 1 199.294 1.685 10 0 ADAEMN C[C@@H](N)c1nnc([C@@H]2CCOC2)s1 84117324 573774900 /nfs/dbraw/zinc/77/49/00/573774900.db2.gz VYZNFEKWWWGFRH-PHDIDXHHSA-N 0 1 199.279 1.062 10 0 ADAEMN CC(C)[N@H+]1C[C@@H](C(=O)[O-])CCC1(C)C 259567304 573774916 /nfs/dbraw/zinc/77/49/16/573774916.db2.gz YKQVIPNQCHQNQS-VIFPVBQESA-N 0 1 199.294 1.970 10 0 ADAEMN CN(C)[C@@H]1CCOc2c(O)cccc21 257874415 573774935 /nfs/dbraw/zinc/77/49/35/573774935.db2.gz UFZUGHJXNZOTJE-SECBINFHSA-N 0 1 193.246 1.777 10 0 ADAEMN Cc1cc(C)n2c(C(=O)[O-])[nH+]cc2c1 238511474 573774146 /nfs/dbraw/zinc/77/41/46/573774146.db2.gz AGBXNZFAUGTGDR-UHFFFAOYSA-N 0 1 190.202 1.649 10 0 ADAEMN CN[C@H](C)c1nnc([C@H]2C[C@H]2C)s1 84119846 573776346 /nfs/dbraw/zinc/77/63/46/573776346.db2.gz WWWBWONXRAEJIG-QYNIQEEDSA-N 0 1 197.307 1.942 10 0 ADAEMN CN[C@H](C)c1nnc([C@H]2C[C@@H]2C)s1 84119848 573776495 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258939939 573781512 /nfs/dbraw/zinc/78/15/12/573781512.db2.gz QBYHGGJLNLKQNO-UHFFFAOYSA-N 0 1 165.236 1.377 10 0 ADAEMN c1ccn2c([C@@H]3CCOC3)ncc2c1 257876074 573781515 /nfs/dbraw/zinc/78/15/15/573781515.db2.gz BROYLYREKXFBRX-SECBINFHSA-N 0 1 188.230 1.838 10 0 ADAEMN CN(CN)c1cccs1 258938911 573781681 /nfs/dbraw/zinc/78/16/81/573781681.db2.gz SRHOBHIOHUFLMB-UHFFFAOYSA-N 0 1 142.227 1.101 10 0 ADAEMN CC[C@@H](C[N@@H+](C)CC)C(=O)[O-] 258939131 573781691 /nfs/dbraw/zinc/78/16/91/573781691.db2.gz INORSOPPSMGKRX-ZETCQYMHSA-N 0 1 159.229 1.049 10 0 ADAEMN Cc1ccc([C@@H](N)C2(CO)CC2)o1 259186758 573781742 /nfs/dbraw/zinc/78/17/42/573781742.db2.gz CYPPVHSRVHFLQG-SECBINFHSA-N 0 1 181.235 1.360 10 0 ADAEMN FC(F)(c1cccnc1)[C@H]1CCCN1 259187121 573781861 /nfs/dbraw/zinc/78/18/61/573781861.db2.gz PJQQEHGLLDZQBG-SECBINFHSA-N 0 1 198.216 1.925 10 0 ADAEMN Cc1nc(C(F)F)cc(N)c1O 238503984 573783221 /nfs/dbraw/zinc/78/32/21/573783221.db2.gz ZZSBRDINKWJEPS-UHFFFAOYSA-N 0 1 174.150 1.615 10 0 ADAEMN 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CC1(C)C[C@H](C(=O)[O-])C[N@H+]1C1CC1 259209981 573844544 /nfs/dbraw/zinc/84/45/44/573844544.db2.gz CNGOAWKRWKGRQF-ZETCQYMHSA-N 0 1 183.251 1.334 10 0 ADAEMN CC1C(=O)C=C(C(F)F)NC1=O 238537174 573844575 /nfs/dbraw/zinc/84/45/75/573844575.db2.gz SDAXQISAJRRTMO-UHFFFAOYSA-N 0 1 175.134 1.739 10 0 ADAEMN Cc1nc(C2(N)CC2)nc2ccccc12 214983208 573844597 /nfs/dbraw/zinc/84/45/97/573844597.db2.gz LSMHMUVJZFYKJQ-UHFFFAOYSA-N 0 1 199.257 1.886 10 0 ADAEMN Cc1cc(F)cn2cncc12 238537389 573844676 /nfs/dbraw/zinc/84/46/76/573844676.db2.gz VIJZOBYSXWVJIT-UHFFFAOYSA-N 0 1 150.156 1.782 10 0 ADAEMN Cc1nc2cccc3[nH]c(N)nc3c-2n1 238524699 573844699 /nfs/dbraw/zinc/84/46/99/573844699.db2.gz PNVZTNJNZFGSOL-UHFFFAOYSA-N 0 1 199.217 1.348 10 0 ADAEMN COCC[N@@H+](CCC(C)=O)C(C)C 131353901 573845934 /nfs/dbraw/zinc/84/59/34/573845934.db2.gz PCPDUIPULGWOJO-UHFFFAOYSA-N 0 1 187.283 1.322 10 0 ADAEMN Cc1nc2cc(NCO)ccc2[nH]1 258970570 573845993 /nfs/dbraw/zinc/84/59/93/573845993.db2.gz VDDHXZFODHRDEY-UHFFFAOYSA-N 0 1 177.207 1.233 10 0 ADAEMN C[N@@H+](C[C@H]1C[C@H]1C(=O)[O-])C1CCC1 258971849 573846183 /nfs/dbraw/zinc/84/61/83/573846183.db2.gz XCKCQRKBCRBSQY-VXNVDRBHSA-N 0 1 183.251 1.191 10 0 ADAEMN C[C@@]1(c2ocnc2CN)CCCO1 87231673 573846184 /nfs/dbraw/zinc/84/61/84/573846184.db2.gz CVUIIGLJQFOKAT-VIFPVBQESA-N 0 1 182.223 1.159 10 0 ADAEMN NOCc1cc(F)cc(Cl)c1O 258158065 573846391 /nfs/dbraw/zinc/84/63/91/573846391.db2.gz UUYXYZXRNIZHBU-UHFFFAOYSA-N 0 1 191.589 1.575 10 0 ADAEMN Cc1cc(F)cn2c(C(=O)[O-])[nH+]cc12 238537265 573846392 /nfs/dbraw/zinc/84/63/92/573846392.db2.gz MRZKANJPFIAVCA-UHFFFAOYSA-N 0 1 194.165 1.480 10 0 ADAEMN CNCc1ncoc1[C@]1(C)CCCO1 87231675 573849622 /nfs/dbraw/zinc/84/96/22/573849622.db2.gz LHRMVYASQRDHTF-JTQLQIEISA-N 0 1 196.250 1.420 10 0 ADAEMN CC(C)C[N@H+]1CCC[C@@H](C(=O)[O-])[C@@H]1C 238150432 573848962 /nfs/dbraw/zinc/84/89/62/573848962.db2.gz LADXNTLNKYSLDJ-VHSXEESVSA-N 0 1 199.294 1.828 10 0 ADAEMN COCN(C)CC1CCCC1 258971958 573849418 /nfs/dbraw/zinc/84/94/18/573849418.db2.gz BNNLXLIBNPFGHD-UHFFFAOYSA-N 0 1 157.257 1.712 10 0 ADAEMN CC1(C(F)(F)CN)CC1 259209234 573849489 /nfs/dbraw/zinc/84/94/89/573849489.db2.gz JKFQGWLGGUYNED-UHFFFAOYSA-N 0 1 135.157 1.381 10 0 ADAEMN Cc1ncc(COc2cccnc2)[nH]1 258154260 573851285 /nfs/dbraw/zinc/85/12/85/573851285.db2.gz LMFFYEHXZFHNBL-UHFFFAOYSA-N 0 1 189.218 1.692 10 0 ADAEMN CNCc1ncoc1COC1CCC1 717671142 573851298 /nfs/dbraw/zinc/85/12/98/573851298.db2.gz FYRCBBKWYWFCHQ-UHFFFAOYSA-N 0 1 196.250 1.463 10 0 ADAEMN CCC(CC)N(C)[C@H](C)C(=O)OC 43628500 573851320 /nfs/dbraw/zinc/85/13/20/573851320.db2.gz KKJCSHRSPSHWDH-MRVPVSSYSA-N 0 1 187.283 1.668 10 0 ADAEMN NCc1cnc(C[C@@H]2CCCOC2)o1 258162435 573851321 /nfs/dbraw/zinc/85/13/21/573851321.db2.gz RBLMBSGGCFFXCX-QMMMGPOBSA-N 0 1 196.250 1.102 10 0 ADAEMN N[C@H](c1ncn(CC2CC2)n1)C1CC1 714757808 573850749 /nfs/dbraw/zinc/85/07/49/573850749.db2.gz BSOHGDLMKJKJPP-VIFPVBQESA-N 0 1 192.266 1.098 10 0 ADAEMN C[C@@H]1CCO[C@H]1c1ocnc1CN 125262840 573850776 /nfs/dbraw/zinc/85/07/76/573850776.db2.gz WZGPMLXQBYOOOO-HTRCEHHLSA-N 0 1 182.223 1.231 10 0 ADAEMN FCCCCn1cnc2c1CCNC2 308454174 573850787 /nfs/dbraw/zinc/85/07/87/573850787.db2.gz BAKMDQZSDOWWLN-UHFFFAOYSA-N 0 1 197.257 1.279 10 0 ADAEMN C[C@@H]1CCO[C@@H]1c1ocnc1CN 125262450 573850809 /nfs/dbraw/zinc/85/08/09/573850809.db2.gz WZGPMLXQBYOOOO-SVRRBLITSA-N 0 1 182.223 1.231 10 0 ADAEMN NCc1cnc(C[C@H]2CCCOC2)o1 258162434 573850866 /nfs/dbraw/zinc/85/08/66/573850866.db2.gz RBLMBSGGCFFXCX-MRVPVSSYSA-N 0 1 196.250 1.102 10 0 ADAEMN CO[C@@H](N)c1ccc(F)c(F)c1 259211647 573850937 /nfs/dbraw/zinc/85/09/37/573850937.db2.gz DVZHLGGTBCFOFA-MRVPVSSYSA-N 0 1 173.162 1.569 10 0 ADAEMN C[C@H](C(=O)[O-])[C@H](C)[N@H+]1CCC(C)(C)C1 87256600 573850991 /nfs/dbraw/zinc/85/09/91/573850991.db2.gz VKHJNSGVBLJPHR-IUCAKERBSA-N 0 1 199.294 1.828 10 0 ADAEMN Cc1cnc(N)c(N)c1C(F)F 238530833 573851069 /nfs/dbraw/zinc/85/10/69/573851069.db2.gz GLVVROUDOLHQFW-UHFFFAOYSA-N 0 1 173.166 1.492 10 0 ADAEMN CNCc1ncoc1[C@@H]1OCC[C@@H]1C 125263925 573851160 /nfs/dbraw/zinc/85/11/60/573851160.db2.gz ZUHUUPMRCWVDLV-IONNQARKSA-N 0 1 196.250 1.492 10 0 ADAEMN CC[C@@H](C)N(CC)[C@@H](C)C(=O)OC 43628375 573851188 /nfs/dbraw/zinc/85/11/88/573851188.db2.gz TXIMGPOFZVZFFL-BDAKNGLRSA-N 0 1 187.283 1.668 10 0 ADAEMN C[C@@H](c1ccccc1)N1CC(C)(O)C1 84357004 573851242 /nfs/dbraw/zinc/85/12/42/573851242.db2.gz GWMWYRLWENUCAB-JTQLQIEISA-N 0 1 191.274 1.814 10 0 ADAEMN CNCc1ncoc1[C@H]1OCC[C@H]1C 125263237 573850606 /nfs/dbraw/zinc/85/06/06/573850606.db2.gz ZUHUUPMRCWVDLV-APPZFPTMSA-N 0 1 196.250 1.492 10 0 ADAEMN CCCN(C1CC1)[C@@H](C)C(=O)OC 43628361 573852692 /nfs/dbraw/zinc/85/26/92/573852692.db2.gz SDXYKNNUGMUNSB-QMMMGPOBSA-N 0 1 185.267 1.422 10 0 ADAEMN OCC(F)(F)c1ccc2nc[nH]c2c1 258972778 573852772 /nfs/dbraw/zinc/85/27/72/573852772.db2.gz IKZMFIPDXCNBMI-UHFFFAOYSA-N 0 1 198.172 1.647 10 0 ADAEMN CC(=O)c1cnc(F)c(O)c1 238153739 573852780 /nfs/dbraw/zinc/85/27/80/573852780.db2.gz STJZIOXILAQEEM-UHFFFAOYSA-N 0 1 155.128 1.129 10 0 ADAEMN Cc1cccnc1[C@H](N)c1cccnc1 43616536 573852837 /nfs/dbraw/zinc/85/28/37/573852837.db2.gz HKOAGDDDKSKRAR-LLVKDONJSA-N 0 1 199.257 1.833 10 0 ADAEMN CC(=O)c1cc2c(nc1Cl)CNC2 257888791 573852934 /nfs/dbraw/zinc/85/29/34/573852934.db2.gz WTXQQHHARGDZMR-UHFFFAOYSA-N 0 1 196.637 1.541 10 0 ADAEMN Cc1cccnc1[C@@H](N)c1cccnc1 43616537 573852989 /nfs/dbraw/zinc/85/29/89/573852989.db2.gz HKOAGDDDKSKRAR-NSHDSACASA-N 0 1 199.257 1.833 10 0 ADAEMN CC1=C(C(N)=O)C(=O)SC1N=O 238530817 573853051 /nfs/dbraw/zinc/85/30/51/573853051.db2.gz MUPPCHPNHXQCES-UHFFFAOYSA-N 0 1 186.192 1.259 10 0 ADAEMN CC(C)CC1=C(C(=O)[O-])CC[N@@H+](C)C1 257888777 573853206 /nfs/dbraw/zinc/85/32/06/573853206.db2.gz WTLJWWUYEISEGF-UHFFFAOYSA-N 0 1 197.278 1.749 10 0 ADAEMN O=C1CCCC[C@@H]1N[C@@H]1CCC[C@H]1F 585297969 573853301 /nfs/dbraw/zinc/85/33/01/573853301.db2.gz NIZOHJGDNXIEIX-BBBLOLIVSA-N 0 1 199.269 1.978 10 0 ADAEMN CCCN(C(C)C)[C@H](C)C(=O)OC 43628359 573854541 /nfs/dbraw/zinc/85/45/41/573854541.db2.gz ZDAZMFGRHNHMKN-SECBINFHSA-N 0 1 187.283 1.668 10 0 ADAEMN C[C@@H](C[N@H+]1CCC(C)(C)C1)C(=O)[O-] 87256626 573854542 /nfs/dbraw/zinc/85/45/42/573854542.db2.gz TXFQHPKVUHWFNH-QMMMGPOBSA-N 0 1 185.267 1.439 10 0 ADAEMN Cc1cnc2c(c1)NCCCN2 87260483 573854572 /nfs/dbraw/zinc/85/45/72/573854572.db2.gz CEZWRWJGRGFAEN-UHFFFAOYSA-N 0 1 163.224 1.618 10 0 ADAEMN C[C@H](CC(=O)[O-])[N@H+]1CCC(C)(C)C1 87256619 573854585 /nfs/dbraw/zinc/85/45/85/573854585.db2.gz AAKXOTZNMJQVFK-MRVPVSSYSA-N 0 1 185.267 1.582 10 0 ADAEMN CC(C)(C)[C@@]1(O)CNC(=S)S1 238165907 573854631 /nfs/dbraw/zinc/85/46/31/573854631.db2.gz WYRITDPCXYAKPQ-SSDOTTSWSA-N 0 1 191.321 1.342 10 0 ADAEMN CO[C@H](N)c1ccc(F)c(F)c1 259211652 573854716 /nfs/dbraw/zinc/85/47/16/573854716.db2.gz DVZHLGGTBCFOFA-QMMMGPOBSA-N 0 1 173.162 1.569 10 0 ADAEMN CC(C)[N@@H+]1CC=C([C@H](C)C(=O)[O-])CC1 258162036 573854800 /nfs/dbraw/zinc/85/48/00/573854800.db2.gz RPMRMRHFHOXBDV-VIFPVBQESA-N 0 1 197.278 1.748 10 0 ADAEMN CC[C@H](N)c1ncn(CC2CC2)n1 714757847 573854809 /nfs/dbraw/zinc/85/48/09/573854809.db2.gz BTCKHTJDUUIALT-QMMMGPOBSA-N 0 1 180.255 1.098 10 0 ADAEMN CCCn1ncnc1[C@@H](N)C1(C)CC1 308454794 573854862 /nfs/dbraw/zinc/85/48/62/573854862.db2.gz DMEXKBNPTBFMFQ-MRVPVSSYSA-N 0 1 194.282 1.488 10 0 ADAEMN CC(C)[C@H](C(=O)[O-])[N@H+]1CCC(C)(C)C1 87256567 573854927 /nfs/dbraw/zinc/85/49/27/573854927.db2.gz LKVLDGQTXWGLKB-SECBINFHSA-N 0 1 199.294 1.828 10 0 ADAEMN CCCCCCN1CC(C)(O)C1 84356200 573855013 /nfs/dbraw/zinc/85/50/13/573855013.db2.gz JALAUXUJARHWBT-UHFFFAOYSA-N 0 1 171.284 1.633 10 0 ADAEMN CC[C@H](C)N(C)[C@@H](C)C(=O)OC 43628371 573855020 /nfs/dbraw/zinc/85/50/20/573855020.db2.gz AQCSSPHWOKIUKM-YUMQZZPRSA-N 0 1 173.256 1.278 10 0 ADAEMN C1CC[C@H](C2=NC[C@H](C3CC3)O2)NC1 258155757 573856289 /nfs/dbraw/zinc/85/62/89/573856289.db2.gz LLTWENNCYQFBST-NXEZZACHSA-N 0 1 194.278 1.336 10 0 ADAEMN CC(O)=C1C[C@H](C(C)C)CC1=O 238166134 573856623 /nfs/dbraw/zinc/85/66/23/573856623.db2.gz XTJOBPYMNBWTGL-IUCAKERBSA-N 0 1 168.236 1.827 10 0 ADAEMN CC(C)C[N@H+]1CC[C@H]2C[C@@]2(C(=O)[O-])C1 238154437 573856633 /nfs/dbraw/zinc/85/66/33/573856633.db2.gz OISFFCDXPUYWCE-GXSJLCMTSA-N 0 1 197.278 1.439 10 0 ADAEMN CCCC1(O)CN(C(C)C)C1 84363585 573856811 /nfs/dbraw/zinc/85/68/11/573856811.db2.gz KAUDFOUAQQIWOK-UHFFFAOYSA-N 0 1 157.257 1.242 10 0 ADAEMN NCc1coc(C[C@@H]2CCCS2)n1 257890510 573857757 /nfs/dbraw/zinc/85/77/57/573857757.db2.gz AZCHIZWFGBYANF-QMMMGPOBSA-N 0 1 198.291 1.571 10 0 ADAEMN Cc1ccnc2c1NC[C@@H](C)N2C 87261738 573857065 /nfs/dbraw/zinc/85/70/65/573857065.db2.gz LSXGTFBKTPYQBV-MRVPVSSYSA-N 0 1 177.251 1.640 10 0 ADAEMN CCN1CCNc2c(C)ccnc21 87261757 573857127 /nfs/dbraw/zinc/85/71/27/573857127.db2.gz WJGYZBAULUUGAW-UHFFFAOYSA-N 0 1 177.251 1.642 10 0 ADAEMN [NH3+]C1(Cc2cc(F)c([O-])cc2F)CC1 258157172 573857288 /nfs/dbraw/zinc/85/72/88/573857288.db2.gz PDHMSJXFIAOAPQ-UHFFFAOYSA-N 0 1 199.200 1.704 10 0 ADAEMN C=Cc1n[nH]c(C=O)c1C 238544249 573857371 /nfs/dbraw/zinc/85/73/71/573857371.db2.gz LZUKAEWMMIYIKW-UHFFFAOYSA-N 0 1 136.154 1.174 10 0 ADAEMN FCCNC/C=C\c1ccncc1 393565643 573857483 /nfs/dbraw/zinc/85/74/83/573857483.db2.gz QSRQMDFEGIINDA-UPHRSURJSA-N 0 1 180.226 1.654 10 0 ADAEMN CC(C)c1[nH]c(CO)nc1C1CC1 257890375 573857506 /nfs/dbraw/zinc/85/75/06/573857506.db2.gz NINGTTOLWJSCMU-UHFFFAOYSA-N 0 1 180.251 1.903 10 0 ADAEMN CC(C)C[C@@H](C)[N@H+]1CCC[C@H]1C(=O)[O-] 238169487 573857532 /nfs/dbraw/zinc/85/75/32/573857532.db2.gz JZECYAYOIDGDJQ-ZJUUUORDSA-N 0 1 199.294 1.970 10 0 ADAEMN NC(=O)CN1CCC2=C(CCCC2)C1 238544322 573857607 /nfs/dbraw/zinc/85/76/07/573857607.db2.gz UMFWRJMZQLTAEQ-UHFFFAOYSA-N 0 1 194.278 1.048 10 0 ADAEMN CC(C)[N@H+]1C[C@H](C(=O)[O-])CC12CC2 257890324 573857635 /nfs/dbraw/zinc/85/76/35/573857635.db2.gz NHDHJGCHNZPIEW-MRVPVSSYSA-N 0 1 183.251 1.334 10 0 ADAEMN Cc1ccnc2c1NCCN2C1CC1 87262021 573857695 /nfs/dbraw/zinc/85/76/95/573857695.db2.gz ZYFZCENXSXXSHE-UHFFFAOYSA-N 0 1 189.262 1.784 10 0 ADAEMN Cc1ccnc2c1NC[C@@H]1CCCN21 87261132 573857008 /nfs/dbraw/zinc/85/70/08/573857008.db2.gz ICOMGNFBEZNGPQ-VIFPVBQESA-N 0 1 189.262 1.784 10 0 ADAEMN CC(C)c1ncc2n1C[C@H](CO)CC2 258163243 573858068 /nfs/dbraw/zinc/85/80/68/573858068.db2.gz IFVWWVQIBYLGDA-SECBINFHSA-N 0 1 194.278 1.561 10 0 ADAEMN CC(C)c1ncc2n1C[C@@H](CO)CC2 258163246 573858197 /nfs/dbraw/zinc/85/81/97/573858197.db2.gz IFVWWVQIBYLGDA-VIFPVBQESA-N 0 1 194.278 1.561 10 0 ADAEMN CC(C)Oc1cc2[nH]nnc2cc1F 238168788 573858268 /nfs/dbraw/zinc/85/82/68/573858268.db2.gz PQXNURRVEHRLKC-UHFFFAOYSA-N 0 1 195.197 1.884 10 0 ADAEMN Cc1ccnc2c1NC[C@H](C)N2C 87261737 573861159 /nfs/dbraw/zinc/86/11/59/573861159.db2.gz LSXGTFBKTPYQBV-QMMMGPOBSA-N 0 1 177.251 1.640 10 0 ADAEMN Fc1cc2nn[nH]c2cc1OC1CC1 238547012 573861202 /nfs/dbraw/zinc/86/12/02/573861202.db2.gz SPQUIFMEGIWLBF-UHFFFAOYSA-N 0 1 193.181 1.638 10 0 ADAEMN F[C@H]1C[C@@H]1NCc1ccccc1 238546461 573861261 /nfs/dbraw/zinc/86/12/61/573861261.db2.gz QUSYSXLRLXDJLV-UWVGGRQHSA-N 0 1 165.211 1.887 10 0 ADAEMN Cc1ccnc2c1NC[C@@H](C)CN2 87261508 573861502 /nfs/dbraw/zinc/86/15/02/573861502.db2.gz KYVRYZYVNXWKSL-SSDOTTSWSA-N 0 1 177.251 1.864 10 0 ADAEMN O=C(c1cncs1)[C@H]1CCCCN1 84359687 573864379 /nfs/dbraw/zinc/86/43/79/573864379.db2.gz OBJBNGAOYPCOOR-SSDOTTSWSA-N 0 1 196.275 1.468 10 0 ADAEMN Cc1ccnc(N(C)CCCF)c1N 716819273 573864399 /nfs/dbraw/zinc/86/43/99/573864399.db2.gz PVROBJVSDRYDTB-UHFFFAOYSA-N 0 1 197.257 1.768 10 0 ADAEMN CC1=[NH+][C@@H](C(=O)[O-])Nc2ccccc21 238172837 573864698 /nfs/dbraw/zinc/86/46/98/573864698.db2.gz TXZYWIRAYPRERT-SECBINFHSA-N 0 1 190.202 1.332 10 0 ADAEMN CCC[N@@H+](C)C[C@@H](C)CC(=O)[O-] 258975029 573864775 /nfs/dbraw/zinc/86/47/75/573864775.db2.gz XNKNALATOFFFMH-QMMMGPOBSA-N 0 1 173.256 1.439 10 0 ADAEMN OCc1cc(C[C@@H]2CCCCO2)[nH]n1 258439689 573864857 /nfs/dbraw/zinc/86/48/57/573864857.db2.gz GKCOHXDJWNJGDC-JTQLQIEISA-N 0 1 196.250 1.014 10 0 ADAEMN C[C@H]1CO[C@](C)(c2cccc(O)c2)N1 258518223 573872205 /nfs/dbraw/zinc/87/22/05/573872205.db2.gz MYYVKYKBLWZDOU-GZMMTYOYSA-N 0 1 193.246 1.573 10 0 ADAEMN CC(C)Cc1ccnc(C(C)(C)N)n1 258979119 573872209 /nfs/dbraw/zinc/87/22/09/573872209.db2.gz BFFDGDPVYSVTOG-UHFFFAOYSA-N 0 1 193.294 1.869 10 0 ADAEMN C[C@@H]1CNC[C@@H](c2ccoc2)O1 87290805 573871053 /nfs/dbraw/zinc/87/10/53/573871053.db2.gz UXQFWSKQXKNAGA-APPZFPTMSA-N 0 1 167.208 1.329 10 0 ADAEMN Cc1cscc1-c1n[nH]c(CN)n1 87289110 573871557 /nfs/dbraw/zinc/87/15/57/573871557.db2.gz RGPJWJQPFLNLJO-UHFFFAOYSA-N 0 1 194.263 1.300 10 0 ADAEMN C[C@@H](N)c1ncc2c(n1)CSCC2 257889623 573871625 /nfs/dbraw/zinc/87/16/25/573871625.db2.gz WVFUYWJAJKVSQR-ZCFIWIBFSA-N 0 1 195.291 1.286 10 0 ADAEMN Cc1nc(N)ccc1[C@@H]1CCC(=O)C1 238550770 573871637 /nfs/dbraw/zinc/87/16/37/573871637.db2.gz SYNZVECIEWGOMO-MRVPVSSYSA-N 0 1 190.246 1.809 10 0 ADAEMN C[C@@H]1CO[C@](C)(c2cccc(O)c2)N1 258518254 573871781 /nfs/dbraw/zinc/87/17/81/573871781.db2.gz MYYVKYKBLWZDOU-LDYMZIIASA-N 0 1 193.246 1.573 10 0 ADAEMN [NH3+]C1(Cc2ccc(F)c(F)c2[O-])CC1 258168789 573872346 /nfs/dbraw/zinc/87/23/46/573872346.db2.gz QABVUPYMDZOOAJ-UHFFFAOYSA-N 0 1 199.200 1.704 10 0 ADAEMN CC(C)[N@H+]1CC[C@@H](C(=O)[O-])CC1(C)C 259216630 573872769 /nfs/dbraw/zinc/87/27/69/573872769.db2.gz CVFJNLMQUBDZTB-SECBINFHSA-N 0 1 199.294 1.970 10 0 ADAEMN CC(=O)[C@@H]1C(=O)OC[C@@H]1C(C)C 238165239 573872816 /nfs/dbraw/zinc/87/28/16/573872816.db2.gz PEBPNNABPWRPRC-SFYZADRCSA-N 0 1 170.208 1.021 10 0 ADAEMN Cc1ccc(CCN(C)CO)cc1C 258975981 573872883 /nfs/dbraw/zinc/87/28/83/573872883.db2.gz VSODNIPFCZZBHK-UHFFFAOYSA-N 0 1 193.290 1.728 10 0 ADAEMN Cc1nc2ccc(N(C)CN)cc2o1 258976571 573873866 /nfs/dbraw/zinc/87/38/66/573873866.db2.gz XQTYUCFCRTUPCZ-UHFFFAOYSA-N 0 1 191.234 1.489 10 0 ADAEMN C[C@H]1CNC[C@H](c2ccoc2)O1 87290804 573873983 /nfs/dbraw/zinc/87/39/83/573873983.db2.gz UXQFWSKQXKNAGA-IONNQARKSA-N 0 1 167.208 1.329 10 0 ADAEMN NCc1nc(-c2ccoc2)c[nH]1 87290862 573874066 /nfs/dbraw/zinc/87/40/66/573874066.db2.gz IYJATYSJEHSXHU-UHFFFAOYSA-N 0 1 163.180 1.128 10 0 ADAEMN Cc1cscc1-c1ncc(CO)[nH]1 87289117 573874082 /nfs/dbraw/zinc/87/40/82/573874082.db2.gz GOQGRUHDSKOHBM-UHFFFAOYSA-N 0 1 194.259 1.939 10 0 ADAEMN C[C@@H]1CO[C@@](C)(c2cccc(O)c2)N1 258518234 573874098 /nfs/dbraw/zinc/87/40/98/573874098.db2.gz MYYVKYKBLWZDOU-KCJUWKMLSA-N 0 1 193.246 1.573 10 0 ADAEMN CC[N@@H+](C)C[C@H](C(=O)[O-])C(C)C 258976294 573874269 /nfs/dbraw/zinc/87/42/69/573874269.db2.gz LVEWMQOCSJTNOR-QMMMGPOBSA-N 0 1 173.256 1.295 10 0 ADAEMN CNCN(C)c1cc(F)ccc1OC 258978880 573874514 /nfs/dbraw/zinc/87/45/14/573874514.db2.gz XXELRTOXQIRLSS-UHFFFAOYSA-N 0 1 198.241 1.447 10 0 ADAEMN Cc1nc2c(o1)[C@@H](C(C)C)CNC2 238163451 573874568 /nfs/dbraw/zinc/87/45/68/573874568.db2.gz BHXKBIVGWFWBKY-MRVPVSSYSA-N 0 1 180.251 1.826 10 0 ADAEMN C[N@H+]1C[C@H](C(C)(C)C)C[C@@H]1C(=O)[O-] 257895784 573874922 /nfs/dbraw/zinc/87/49/22/573874922.db2.gz OCYCCTWKRQBYCM-HTQZYQBOSA-N 0 1 185.267 1.437 10 0 ADAEMN CCCNc1ccnc(CNC)n1 258978551 573875075 /nfs/dbraw/zinc/87/50/75/573875075.db2.gz OIHMCBUSLCQSOJ-UHFFFAOYSA-N 0 1 180.255 1.018 10 0 ADAEMN Cc1nc(N)ccc1[C@H]1CCC(=O)C1 238551400 573875343 /nfs/dbraw/zinc/87/53/43/573875343.db2.gz SYNZVECIEWGOMO-QMMMGPOBSA-N 0 1 190.246 1.809 10 0 ADAEMN C[N@H+]1C[C@H](C(C)(C)C)C[C@H]1C(=O)[O-] 257895789 573875477 /nfs/dbraw/zinc/87/54/77/573875477.db2.gz OCYCCTWKRQBYCM-SFYZADRCSA-N 0 1 185.267 1.437 10 0 ADAEMN CC1(C)C[C@H]1NCc1cnco1 84414825 573877246 /nfs/dbraw/zinc/87/72/46/573877246.db2.gz ZOTUKKQPENUZDM-MRVPVSSYSA-N 0 1 166.224 1.563 10 0 ADAEMN Cc1nc(N[C@@H]2CCOC2)ccc1N 122977045 573877669 /nfs/dbraw/zinc/87/76/69/573877669.db2.gz VEBUSWMHSSUMFE-MRVPVSSYSA-N 0 1 193.250 1.173 10 0 ADAEMN C[C@@H]1C[C@H]1NCc1cnco1 84414938 573877675 /nfs/dbraw/zinc/87/76/75/573877675.db2.gz KTSUGLJZPAKHAZ-HTRCEHHLSA-N 0 1 152.197 1.173 10 0 ADAEMN NCc1onc2c(Cl)cccc12 257895816 573877800 /nfs/dbraw/zinc/87/78/00/573877800.db2.gz ODJCVXHMGTWLNP-UHFFFAOYSA-N 0 1 182.610 1.940 10 0 ADAEMN Cc1nc(N[C@H]2CCOC2)ccc1N 122977254 573877906 /nfs/dbraw/zinc/87/79/06/573877906.db2.gz VEBUSWMHSSUMFE-QMMMGPOBSA-N 0 1 193.250 1.173 10 0 ADAEMN CCC(CC)CC(=O)CN 76576243 573879933 /nfs/dbraw/zinc/87/99/33/573879933.db2.gz NBVPOFFCFWJCOQ-UHFFFAOYSA-N 0 1 143.230 1.341 10 0 ADAEMN C[C@H]1C[C@H]1NCc1cnco1 84414942 573879305 /nfs/dbraw/zinc/87/93/05/573879305.db2.gz KTSUGLJZPAKHAZ-POYBYMJQSA-N 0 1 152.197 1.173 10 0 ADAEMN NC1(c2nc(C3CC3)co2)CCC1 257892532 573879474 /nfs/dbraw/zinc/87/94/74/573879474.db2.gz NQYVBILJZHCUSF-UHFFFAOYSA-N 0 1 178.235 1.890 10 0 ADAEMN Cc1nc[nH]c1-c1ccc(CO)cc1 257891882 573879500 /nfs/dbraw/zinc/87/95/00/573879500.db2.gz XHNQAUMPYUNVOM-UHFFFAOYSA-N 0 1 188.230 1.877 10 0 ADAEMN CC[C@H](C[N@@H+](C)C1CCCC1)C(=O)[O-] 258981581 573879671 /nfs/dbraw/zinc/87/96/71/573879671.db2.gz MEDIBQZWNVEGHG-SECBINFHSA-N 0 1 199.294 1.972 10 0 ADAEMN CCc1ccnc(C(C)(C)N)n1 258981256 573879708 /nfs/dbraw/zinc/87/97/08/573879708.db2.gz BJIWRZQBPOHHQT-UHFFFAOYSA-N 0 1 165.240 1.233 10 0 ADAEMN CC[C@@H](C[N@@H+](C)C1CCCC1)C(=O)[O-] 258981583 573879907 /nfs/dbraw/zinc/87/99/07/573879907.db2.gz MEDIBQZWNVEGHG-VIFPVBQESA-N 0 1 199.294 1.972 10 0 ADAEMN CC(C)[C@H]1OC(=O)CC(=O)[C@H]1C 238177691 573880530 /nfs/dbraw/zinc/88/05/30/573880530.db2.gz PWEYSYNYQWNPLW-HZGVNTEJSA-N 0 1 170.208 1.163 10 0 ADAEMN OC1(c2ccc(Cl)s2)CNC1 87335556 573880548 /nfs/dbraw/zinc/88/05/48/573880548.db2.gz HXXXWIGZMYRHHH-UHFFFAOYSA-N 0 1 189.667 1.192 10 0 ADAEMN CC(C)[N@H+]1CCCC[C@H](C(=O)[O-])[C@@H]1C 238177490 573880622 /nfs/dbraw/zinc/88/06/22/573880622.db2.gz PVJDPECGXWLKKD-UWVGGRQHSA-N 0 1 199.294 1.970 10 0 ADAEMN C[C@H]1C[C@@H]1NCc1cnco1 84414934 573880879 /nfs/dbraw/zinc/88/08/79/573880879.db2.gz KTSUGLJZPAKHAZ-XPUUQOCRSA-N 0 1 152.197 1.173 10 0 ADAEMN CC(C)[C@H]1OC(=O)CC(=O)[C@@H]1C 238177671 573881011 /nfs/dbraw/zinc/88/10/11/573881011.db2.gz PWEYSYNYQWNPLW-IMTBSYHQSA-N 0 1 170.208 1.163 10 0 ADAEMN CC(C)OC(=O)[C@@H]1CC[C@H](C)N1 238178855 573881151 /nfs/dbraw/zinc/88/11/51/573881151.db2.gz FJPFLQQENUGXNM-YUMQZZPRSA-N 0 1 171.240 1.079 10 0 ADAEMN C/C=C/C(=O)N1CC[N@@H+](C)[C@H](CC)C1 87333788 573881158 /nfs/dbraw/zinc/88/11/58/573881158.db2.gz CUHMHCFODDBUPV-DFVUYQKZSA-N 0 1 196.294 1.115 10 0 ADAEMN C/C=C/C(=O)N1CCN(C)[C@H](CC)C1 87333788 573881163 /nfs/dbraw/zinc/88/11/63/573881163.db2.gz CUHMHCFODDBUPV-DFVUYQKZSA-N 0 1 196.294 1.115 10 0 ADAEMN C=Cc1ccc2[nH]nnc2c1 80222452 573883284 /nfs/dbraw/zinc/88/32/84/573883284.db2.gz CDTYDMKRNQVPFQ-UHFFFAOYSA-N 0 1 145.165 1.601 10 0 ADAEMN C=Cc1ccc2nn[nH]c2c1 80222452 573883289 /nfs/dbraw/zinc/88/32/89/573883289.db2.gz CDTYDMKRNQVPFQ-UHFFFAOYSA-N 0 1 145.165 1.601 10 0 ADAEMN CNCN(C)c1sccc1C 258985903 573883492 /nfs/dbraw/zinc/88/34/92/573883492.db2.gz YMSRHQOQRYLPTF-UHFFFAOYSA-N 0 1 170.281 1.670 10 0 ADAEMN CC(C)OC(=O)[C@@H]1CC[C@@H](C)N1 238178828 573883508 /nfs/dbraw/zinc/88/35/08/573883508.db2.gz FJPFLQQENUGXNM-SFYZADRCSA-N 0 1 171.240 1.079 10 0 ADAEMN COc1ccc([C@@H](N)OC)c(OC)c1 259219009 573883541 /nfs/dbraw/zinc/88/35/41/573883541.db2.gz FDKIGGYKXOCLMC-JTQLQIEISA-N 0 1 197.234 1.308 10 0 ADAEMN CN(C)[C@@H](N)c1ccc2c(c1)CCO2 259219784 573883593 /nfs/dbraw/zinc/88/35/93/573883593.db2.gz AMTZQRUMBGHIOD-LLVKDONJSA-N 0 1 192.262 1.140 10 0 ADAEMN C[C@@H](NC1CC(O)C1)c1nccs1 84421869 573883622 /nfs/dbraw/zinc/88/36/22/573883622.db2.gz UZSHBLQCHHDNHI-JECWYVHBSA-N 0 1 198.291 1.317 10 0 ADAEMN CCC(=O)[C@H](C)[N@H+]1CCC[C@H](OC)C1 299901123 573885382 /nfs/dbraw/zinc/88/53/82/573885382.db2.gz ASFXSBSZFNGDKJ-UWVGGRQHSA-N 0 1 199.294 1.465 10 0 ADAEMN CCC(=O)[C@H](C)N1CCC[C@H](OC)C1 299901123 573885388 /nfs/dbraw/zinc/88/53/88/573885388.db2.gz ASFXSBSZFNGDKJ-UWVGGRQHSA-N 0 1 199.294 1.465 10 0 ADAEMN CNCC(=O)c1cc(C)ccc1OC 41206208 573885398 /nfs/dbraw/zinc/88/53/98/573885398.db2.gz YMYJIHGITRJEKW-UHFFFAOYSA-N 0 1 193.246 1.406 10 0 ADAEMN CC(C)=C[C@@H](N)c1ncc[nH]1 87340671 573885520 /nfs/dbraw/zinc/88/55/20/573885520.db2.gz MZNVWVQRARYFHB-SSDOTTSWSA-N 0 1 151.213 1.376 10 0 ADAEMN CCn1cnc(CN2CCCCC2)c1 258172327 573885552 /nfs/dbraw/zinc/88/55/52/573885552.db2.gz MKIBQFIFCBZDGT-UHFFFAOYSA-N 0 1 193.294 1.889 10 0 ADAEMN CCn1cc(C)nc1CNC1CC1 257892815 573885588 /nfs/dbraw/zinc/88/55/88/573885588.db2.gz MTSMNJXIVKVNMG-UHFFFAOYSA-N 0 1 179.267 1.463 10 0 ADAEMN CC(C)N1CCN(C(C)C)C1 71790969 573885707 /nfs/dbraw/zinc/88/57/07/573885707.db2.gz OXJVYOIXNGTINO-UHFFFAOYSA-N 0 1 156.273 1.378 10 0 ADAEMN N[C@H](Cc1nccs1)c1ncc[nH]1 87340681 573890063 /nfs/dbraw/zinc/89/00/63/573890063.db2.gz ZZVXNHCPIRZPPD-ZCFIWIBFSA-N 0 1 194.263 1.109 10 0 ADAEMN CC(O)=C1CC[C@H](C)CC1=O 197107968 573890093 /nfs/dbraw/zinc/89/00/93/573890093.db2.gz GUVXBBCECQQPQU-XPUUQOCRSA-N 0 1 154.209 1.581 10 0 ADAEMN N=C1NC(=O)[C@H](c2cccs2)S1 238562760 573890102 /nfs/dbraw/zinc/89/01/02/573890102.db2.gz ONSGQPJWLDBPND-YFKPBYRVSA-N 0 1 198.272 1.587 10 0 ADAEMN C[C@@H](CC[N@@H+](C)C1CCCC1)C(=O)[O-] 258989964 573889544 /nfs/dbraw/zinc/88/95/44/573889544.db2.gz ZAYLRECYUYOWDZ-VIFPVBQESA-N 0 1 199.294 1.972 10 0 ADAEMN C[C@H](CC[N@@H+](C)C1CCCC1)C(=O)[O-] 258989961 573889564 /nfs/dbraw/zinc/88/95/64/573889564.db2.gz ZAYLRECYUYOWDZ-SECBINFHSA-N 0 1 199.294 1.972 10 0 ADAEMN Cc1c[nH+]ccc1-n1ccnc1CN 87343366 573889568 /nfs/dbraw/zinc/88/95/68/573889568.db2.gz CSMUZEDLLYRRJO-UHFFFAOYSA-N 0 1 188.234 1.034 10 0 ADAEMN CCO[C@@H]1C[C@H]1c1nc(C)n[nH]1 690070445 573889754 /nfs/dbraw/zinc/88/97/54/573889754.db2.gz AXXKSIFIKPJKPA-RNFRBKRXSA-N 0 1 167.212 1.006 10 0 ADAEMN CCO[C@@H]1C[C@H]1c1n[nH]c(C)n1 690070445 573889757 /nfs/dbraw/zinc/88/97/57/573889757.db2.gz AXXKSIFIKPJKPA-RNFRBKRXSA-N 0 1 167.212 1.006 10 0 ADAEMN CN(C)[C@H](N)c1ccc2c(c1)CCO2 259222542 573889807 /nfs/dbraw/zinc/88/98/07/573889807.db2.gz AMTZQRUMBGHIOD-NSHDSACASA-N 0 1 192.262 1.140 10 0 ADAEMN Cc1cccc([C@H](N)c2ncc[nH]2)c1 87340607 573889862 /nfs/dbraw/zinc/88/98/62/573889862.db2.gz XAKIJWWLHCGDBF-JTQLQIEISA-N 0 1 187.246 1.766 10 0 ADAEMN C[N@H+]1CCCC[C@@H]1c1cc(CO)n[nH]1 259221106 573889871 /nfs/dbraw/zinc/88/98/71/573889871.db2.gz LWHRIGKJNKSJBG-SNVBAGLBSA-N 0 1 195.266 1.059 10 0 ADAEMN CN1CCCC[C@@H]1c1cc(CO)n[nH]1 259221106 573889878 /nfs/dbraw/zinc/88/98/78/573889878.db2.gz LWHRIGKJNKSJBG-SNVBAGLBSA-N 0 1 195.266 1.059 10 0 ADAEMN CC(C)N1CCC[C@H]1c1nc(N)no1 257894556 573889879 /nfs/dbraw/zinc/88/98/79/573889879.db2.gz CXAVWYXRPFDCPQ-ZETCQYMHSA-N 0 1 196.254 1.197 10 0 ADAEMN CNCNCc1cc(C)ccc1C 258986142 573889952 /nfs/dbraw/zinc/88/99/52/573889952.db2.gz YQEPEHSRYIAZTH-UHFFFAOYSA-N 0 1 178.279 1.570 10 0 ADAEMN Cc1cccc(-n2ccnc2CN)n1 87343397 573889975 /nfs/dbraw/zinc/88/99/75/573889975.db2.gz GETLPFDOWWMJMA-UHFFFAOYSA-N 0 1 188.234 1.034 10 0 ADAEMN N[C@H](Cc1cccs1)c1ncc[nH]1 87340630 573889995 /nfs/dbraw/zinc/88/99/95/573889995.db2.gz ZWUCIJIELWKOOF-MRVPVSSYSA-N 0 1 193.275 1.714 10 0 ADAEMN CNCN(C)c1cc(F)ccc1F 258988210 573893384 /nfs/dbraw/zinc/89/33/84/573893384.db2.gz YUCXNHQPWHNNNP-UHFFFAOYSA-N 0 1 186.205 1.578 10 0 ADAEMN [NH3+]Cc1cnc(C(F)F)c([O-])c1 238563308 573893652 /nfs/dbraw/zinc/89/36/52/573893652.db2.gz ZZHJDWUBHBJPKN-UHFFFAOYSA-N 0 1 174.150 1.184 10 0 ADAEMN CC1([C@@](C)(N)c2ncon2)CC1 87365287 573893778 /nfs/dbraw/zinc/89/37/78/573893778.db2.gz FNOVZJSYFNVXPM-QMMMGPOBSA-N 0 1 167.212 1.044 10 0 ADAEMN CN[C@H](N)c1ccc(C)cc1C 259224760 573895064 /nfs/dbraw/zinc/89/50/64/573895064.db2.gz HBBPXFNIXHGHTA-JTQLQIEISA-N 0 1 164.252 1.480 10 0 ADAEMN CCCc1n[nH]c([C@@H]2C[C@H]2OC)n1 690071298 573895081 /nfs/dbraw/zinc/89/50/81/573895081.db2.gz CAHHTTUSNAQEHK-RNFRBKRXSA-N 0 1 181.239 1.260 10 0 ADAEMN CCCc1nc([C@@H]2C[C@H]2OC)n[nH]1 690071298 573895085 /nfs/dbraw/zinc/89/50/85/573895085.db2.gz CAHHTTUSNAQEHK-RNFRBKRXSA-N 0 1 181.239 1.260 10 0 ADAEMN CNc1nc(C)cc(NC(C)C)n1 84446447 573895093 /nfs/dbraw/zinc/89/50/93/573895093.db2.gz BHPCJZKCRAGYIX-UHFFFAOYSA-N 0 1 180.255 1.647 10 0 ADAEMN CC1([C@](C)(N)c2ncon2)CC1 87365286 573895222 /nfs/dbraw/zinc/89/52/22/573895222.db2.gz FNOVZJSYFNVXPM-MRVPVSSYSA-N 0 1 167.212 1.044 10 0 ADAEMN 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10 0 ADAEMN CNc1nc(C)cc(NC2CC2)n1 84445001 573895924 /nfs/dbraw/zinc/89/59/24/573895924.db2.gz AOWDLYPWDYGKSL-UHFFFAOYSA-N 0 1 178.239 1.401 10 0 ADAEMN CCCNc1cc(C)nc(NC)n1 84446449 573895965 /nfs/dbraw/zinc/89/59/65/573895965.db2.gz AKPIKNCEBBVYJA-UHFFFAOYSA-N 0 1 180.255 1.649 10 0 ADAEMN CCCc1n[nH]c([C@H]2C[C@H]2OC)n1 690071276 573895966 /nfs/dbraw/zinc/89/59/66/573895966.db2.gz CAHHTTUSNAQEHK-NKWVEPMBSA-N 0 1 181.239 1.260 10 0 ADAEMN CCCc1nc([C@H]2C[C@H]2OC)n[nH]1 690071276 573895970 /nfs/dbraw/zinc/89/59/70/573895970.db2.gz CAHHTTUSNAQEHK-NKWVEPMBSA-N 0 1 181.239 1.260 10 0 ADAEMN CNC(=O)CCN[C@H](C)c1ccco1 44317656 573895990 /nfs/dbraw/zinc/89/59/90/573895990.db2.gz OAMOLAQKPIVNJP-MRVPVSSYSA-N 0 1 196.250 1.066 10 0 ADAEMN CCc1nc([C@@](C)(N)C2(C)CC2)no1 87365294 573896047 /nfs/dbraw/zinc/89/60/47/573896047.db2.gz BZHMXSZHQPVQLH-SNVBAGLBSA-N 0 1 195.266 1.606 10 0 ADAEMN O=C1CCCC[C@@H]1N1CCC(F)CC1 689866383 573896059 /nfs/dbraw/zinc/89/60/59/573896059.db2.gz CJEDOPFHYDAHBM-JTQLQIEISA-N 0 1 199.269 1.932 10 0 ADAEMN CCCc1nc([C@@H](N)CO)cs1 259227278 573896221 /nfs/dbraw/zinc/89/62/21/573896221.db2.gz JBHYLXZLEGOLIH-LURJTMIESA-N 0 1 186.280 1.088 10 0 ADAEMN CCC(=O)[C@@H](C)Cc1cc(C)[nH]n1 76604271 573896278 /nfs/dbraw/zinc/89/62/78/573896278.db2.gz FDPDUGYRPCWHJX-ZETCQYMHSA-N 0 1 180.251 1.876 10 0 ADAEMN O=C1CCCC[C@H]1N1CCC(F)CC1 689866384 573896395 /nfs/dbraw/zinc/89/63/95/573896395.db2.gz CJEDOPFHYDAHBM-SNVBAGLBSA-N 0 1 199.269 1.932 10 0 ADAEMN O[C@@H]1CNCc2oc(C3CC3)cc21 76603141 573897802 /nfs/dbraw/zinc/89/78/02/573897802.db2.gz AUICGPCQNYQDRY-MRVPVSSYSA-N 0 1 179.219 1.294 10 0 ADAEMN CSC(=N)c1cc[nH]c1 259227931 573897838 /nfs/dbraw/zinc/89/78/38/573897838.db2.gz OPZNOGFSAONUSV-UHFFFAOYSA-N 0 1 140.211 1.703 10 0 ADAEMN CCN1CCC[C@@H]1c1oncc1CO 259226838 573897991 /nfs/dbraw/zinc/89/79/91/573897991.db2.gz MFWKHAWWLCLHPC-SECBINFHSA-N 0 1 196.250 1.324 10 0 ADAEMN CNc1nc(C)cc(N2CCCC2)n1 84453430 573898175 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1 197.200 1.109 10 0 ADAEMN CCOC(C)(C)CN1C[C@@H]2C[C@H](C1)O2 1209073114 762278285 /nfs/dbraw/zinc/27/82/85/762278285.db2.gz PWTSWIITKRAUNK-AOOOYVTPSA-N 0 1 199.294 1.275 10 0 ADAEMN COCCCCN(C)Cc1ccno1 1209219351 762295212 /nfs/dbraw/zinc/29/52/12/762295212.db2.gz JDKUIQYXMVWCKA-UHFFFAOYSA-N 0 1 198.266 1.533 10 0 ADAEMN COc1cc(CN2CC[C@@H]2C)ccn1 1209637664 762319525 /nfs/dbraw/zinc/31/95/25/762319525.db2.gz MZDPSWHVUBZQIY-VIFPVBQESA-N 0 1 192.262 1.684 10 0 ADAEMN Nc1ccncc1CN1CCCCO1 1209729045 762319568 /nfs/dbraw/zinc/31/95/68/762319568.db2.gz ZSDJTQLMZAJXFP-UHFFFAOYSA-N 0 1 193.250 1.022 10 0 ADAEMN Nc1ccncc1CN1CC[C@@H](F)C1 1209728148 762319709 /nfs/dbraw/zinc/31/97/09/762319709.db2.gz DOLQVEKKODTIFP-SECBINFHSA-N 0 1 195.241 1.038 10 0 ADAEMN c1cnc(CN2CCC3(CC3)C2)cn1 1209780695 762319742 /nfs/dbraw/zinc/31/97/42/762319742.db2.gz INESBZPDNCEDBG-UHFFFAOYSA-N 0 1 189.262 1.463 10 0 ADAEMN c1cnc(CN2CCC[C@H]3C[C@H]32)cn1 1209789704 762319955 /nfs/dbraw/zinc/31/99/55/762319955.db2.gz 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1423759983 /nfs/dbraw/zinc/75/99/83/1423759983.db2.gz SJVOPFNDXDYUOD-ZETCQYMHSA-N 0 1 183.259 1.436 10 0 ADAEMN CC[C@@H]1CCCC[C@@H]1Nc1nn[nH]n1 95263976 1423764192 /nfs/dbraw/zinc/76/41/92/1423764192.db2.gz FAGGFDBORKQIMX-SFYZADRCSA-N 0 1 195.270 1.580 10 0 ADAEMN Cc1cc(CN(C)CCO)oc1C 1236253309 764640357 /nfs/dbraw/zinc/64/03/57/764640357.db2.gz GTSBKHKXBRCELH-UHFFFAOYSA-N 0 1 183.251 1.321 10 0 ADAEMN CC[C@@H](C)[C@H](C)Nc1nn[nH]n1 95259403 1423791578 /nfs/dbraw/zinc/79/15/78/1423791578.db2.gz SMDXOUQSXIENEP-RITPCOANSA-N 0 1 169.232 1.046 10 0 ADAEMN Cc1nc(C)c(CN2CC[C@H]2C)o1 1236589623 764665578 /nfs/dbraw/zinc/66/55/78/764665578.db2.gz NNRIQYZUQFCIQX-SSDOTTSWSA-N 0 1 180.251 1.886 10 0 ADAEMN Cc1nc(C)c(CN2CC[C@@H]2C)o1 1236589628 764668047 /nfs/dbraw/zinc/66/80/47/764668047.db2.gz NNRIQYZUQFCIQX-ZETCQYMHSA-N 0 1 180.251 1.886 10 0 ADAEMN C[C@@H]1CCCC[C@@H]1CNc1nn[nH]n1 95254869 1423825465 /nfs/dbraw/zinc/82/54/65/1423825465.db2.gz FCFLSJDCYGKHCN-HTQZYQBOSA-N 0 1 195.270 1.438 10 0 ADAEMN CCn1cncc1CN1CC[C@@H]1C 1237587879 764683066 /nfs/dbraw/zinc/68/30/66/764683066.db2.gz JXDNNGFDQPQHMO-VIFPVBQESA-N 0 1 179.267 1.497 10 0 ADAEMN c1nnc(CN2CCC23CCCC3)[nH]1 1237601635 764683144 /nfs/dbraw/zinc/68/31/44/764683144.db2.gz MIZIJMXDZRSKMX-UHFFFAOYSA-N 0 1 192.266 1.323 10 0 ADAEMN C[C@@]1(F)CCCN(Cc2nnc[nH]2)C1 1237598111 764683501 /nfs/dbraw/zinc/68/35/01/764683501.db2.gz ANHWWZLLOXVIEX-SECBINFHSA-N 0 1 198.245 1.129 10 0 ADAEMN c1nnc(CN2CC3(CCCC3)C2)[nH]1 1237598033 764685246 /nfs/dbraw/zinc/68/52/46/764685246.db2.gz AFQITCXRBVAZCY-UHFFFAOYSA-N 0 1 192.266 1.181 10 0 ADAEMN C[C@]1(F)CCCN(Cc2nnc[nH]2)C1 1237598112 764686165 /nfs/dbraw/zinc/68/61/65/764686165.db2.gz ANHWWZLLOXVIEX-VIFPVBQESA-N 0 1 198.245 1.129 10 0 ADAEMN F[C@H]1CCCCN(Cc2nnc[nH]2)C1 1237602222 764689014 /nfs/dbraw/zinc/68/90/14/764689014.db2.gz RBMPRFJTHCWDDC-QMMMGPOBSA-N 0 1 198.245 1.129 10 0 ADAEMN F[C@@H]1CCCCN(Cc2nnc[nH]2)C1 1237602221 764693265 /nfs/dbraw/zinc/69/32/65/764693265.db2.gz RBMPRFJTHCWDDC-MRVPVSSYSA-N 0 1 198.245 1.129 10 0 ADAEMN CCn1cncc1CN1CC[C@H]1C 1237587868 764693300 /nfs/dbraw/zinc/69/33/00/764693300.db2.gz JXDNNGFDQPQHMO-SECBINFHSA-N 0 1 179.267 1.497 10 0 ADAEMN C[C@H]1C[C@H](C)CCN1Cc1nnc[nH]1 1237609463 764699276 /nfs/dbraw/zinc/69/92/76/764699276.db2.gz WVYFOALNVDKPFB-BDAKNGLRSA-N 0 1 194.282 1.425 10 0 ADAEMN C[C@@H]1CCCC[C@H]1CNc1nn[nH]n1 95254871 1423841956 /nfs/dbraw/zinc/84/19/56/1423841956.db2.gz FCFLSJDCYGKHCN-SFYZADRCSA-N 0 1 195.270 1.438 10 0 ADAEMN C[C@H]1CCN(Cc2nnc[nH]2)[C@H](C)C1 1237609468 764705308 /nfs/dbraw/zinc/70/53/08/764705308.db2.gz WVYFOALNVDKPFB-DTWKUNHWSA-N 0 1 194.282 1.425 10 0 ADAEMN C[C@H]1CCN(Cc2nnc[nH]2)[C@@H](C)C1 1237609471 764706110 /nfs/dbraw/zinc/70/61/10/764706110.db2.gz WVYFOALNVDKPFB-IUCAKERBSA-N 0 1 194.282 1.425 10 0 ADAEMN CC[C@@H]1CCCC[C@H]1Nc1nn[nH]n1 95263978 1423849467 /nfs/dbraw/zinc/84/94/67/1423849467.db2.gz FAGGFDBORKQIMX-HTQZYQBOSA-N 0 1 195.270 1.580 10 0 ADAEMN Cc1ncncc1CN(C)C1CC1 1238166190 764719740 /nfs/dbraw/zinc/71/97/40/764719740.db2.gz WNCHAGXXNAPXAR-UHFFFAOYSA-N 0 1 177.251 1.379 10 0 ADAEMN CCN(C)Cc1cncnc1C 1238168503 764721427 /nfs/dbraw/zinc/72/14/27/764721427.db2.gz RHIMJWDOQHBGSH-UHFFFAOYSA-N 0 1 165.240 1.237 10 0 ADAEMN Cc1ncncc1CN1CC(C)C1 1238165547 764722629 /nfs/dbraw/zinc/72/26/29/764722629.db2.gz UEXQFVCIQNLCEI-UHFFFAOYSA-N 0 1 177.251 1.237 10 0 ADAEMN Cc1ncncc1CN1CC[C@@H]1C 1238165100 764722661 /nfs/dbraw/zinc/72/26/61/764722661.db2.gz QYWXLSLNXJSBEL-QMMMGPOBSA-N 0 1 177.251 1.379 10 0 ADAEMN CN(Cc1cnnn1C)CC1CCC1 1238161332 764722691 /nfs/dbraw/zinc/72/26/91/764722691.db2.gz RHMXNTIZVNFDMX-UHFFFAOYSA-N 0 1 194.282 1.047 10 0 ADAEMN Cc1ncncc1CN1CC[C@H]1C 1238165096 764723583 /nfs/dbraw/zinc/72/35/83/764723583.db2.gz QYWXLSLNXJSBEL-MRVPVSSYSA-N 0 1 177.251 1.379 10 0 ADAEMN CCN(Cc1cncnc1C)C1CC1 1238165642 764727683 /nfs/dbraw/zinc/72/76/83/764727683.db2.gz UYZZSALMKFLMAR-UHFFFAOYSA-N 0 1 191.278 1.769 10 0 ADAEMN C1CCC(CNc2nn[nH]n2)CC1 83340631 1423867251 /nfs/dbraw/zinc/86/72/51/1423867251.db2.gz KGYSURPTMNZJKH-UHFFFAOYSA-N 0 1 181.243 1.192 10 0 ADAEMN CCC(C)(C)CNc1nn[nH]n1 306518182 1423914485 /nfs/dbraw/zinc/91/44/85/1423914485.db2.gz BELBMUMTOVVOIQ-UHFFFAOYSA-N 0 1 169.232 1.048 10 0 ADAEMN CCC(CC)C[C@H](C[NH3+])c1nn[n-]n1 34216763 1423926014 /nfs/dbraw/zinc/92/60/14/1423926014.db2.gz ILESGMIMNCRTES-MRVPVSSYSA-N 0 1 197.286 1.068 10 0 ADAEMN C[C@H]1CCCC[C@@H]1Nc1nn[nH]n1 95254914 1423941979 /nfs/dbraw/zinc/94/19/79/1423941979.db2.gz CGFSCZHCUPTRFK-BQBZGAKWSA-N 0 1 181.243 1.190 10 0 ADAEMN C[C@@H]1CCC[C@H](Nc2nn[nH]n2)C1 95254232 1423948194 /nfs/dbraw/zinc/94/81/94/1423948194.db2.gz DTJZJUVHODEAQK-RQJHMYQMSA-N 0 1 181.243 1.190 10 0 ADAEMN Cc1cnc(-c2cn[nH]c2)cc1N 1240240953 764843330 /nfs/dbraw/zinc/84/33/30/764843330.db2.gz XOGOTTHTNUOENC-UHFFFAOYSA-N 0 1 174.207 1.362 10 0 ADAEMN C[C@H](Nc1nn[nH]n1)c1ccsc1 95230620 1423968325 /nfs/dbraw/zinc/96/83/25/1423968325.db2.gz VXMRKMKBRGHFOL-YFKPBYRVSA-N 0 1 195.251 1.434 10 0 ADAEMN Cc1cnc(-c2cnn(C)c2)cc1N 1240293676 764849055 /nfs/dbraw/zinc/84/90/55/764849055.db2.gz LKZQLWIHGOSSDL-UHFFFAOYSA-N 0 1 188.234 1.373 10 0 ADAEMN Cc1cnc(-c2cncnc2)cc1N 1240374599 764851607 /nfs/dbraw/zinc/85/16/07/764851607.db2.gz UIBZGMOEQCVZQA-UHFFFAOYSA-N 0 1 186.218 1.429 10 0 ADAEMN CC[C@H](C)[C@H](C)Nc1nn[nH]n1 95259404 1423982731 /nfs/dbraw/zinc/98/27/31/1423982731.db2.gz SMDXOUQSXIENEP-WDSKDSINSA-N 0 1 169.232 1.046 10 0 ADAEMN Cc1cnc(-c2c[nH]nc2C)cc1N 1240519589 764859546 /nfs/dbraw/zinc/85/95/46/764859546.db2.gz QIHYXTOXMSZWDS-UHFFFAOYSA-N 0 1 188.234 1.671 10 0 ADAEMN CC[C@H]1CCCC[C@H]1Nc1nn[nH]n1 95263979 1423978411 /nfs/dbraw/zinc/97/84/11/1423978411.db2.gz FAGGFDBORKQIMX-JGVFFNPUSA-N 0 1 195.270 1.580 10 0 ADAEMN CCC[C@H](C)CNc1nn[nH]n1 83339982 1423992180 /nfs/dbraw/zinc/99/21/80/1423992180.db2.gz XZOZRKAJBQCHJR-LURJTMIESA-N 0 1 169.232 1.048 10 0 ADAEMN CCC(CC)CNc1nn[nH]n1 83339984 1424006480 /nfs/dbraw/zinc/00/64/80/1424006480.db2.gz FSKPQHPWVNMJDO-UHFFFAOYSA-N 0 1 169.232 1.048 10 0 ADAEMN CC1(Nc2nn[nH]n2)CCCCC1 95231493 1424013586 /nfs/dbraw/zinc/01/35/86/1424013586.db2.gz WQBJCXSARQIFMU-UHFFFAOYSA-N 0 1 181.243 1.334 10 0 ADAEMN C[C@H](c1nnn[n-]1)[N@@H+](C)C1CCCC1 95137308 1424019327 /nfs/dbraw/zinc/01/93/27/1424019327.db2.gz QQCHZLPRRLRNLJ-SSDOTTSWSA-N 0 1 195.270 1.135 10 0 ADAEMN C[C@H]1CCCC[C@H]1Nc1nn[n-]n1 95254916 1424046465 /nfs/dbraw/zinc/04/64/65/1424046465.db2.gz CGFSCZHCUPTRFK-NKWVEPMBSA-N 0 1 181.243 1.190 10 0 ADAEMN C[C@H]1CCCC[C@H]1Nc1nn[nH]n1 95254916 1424046468 /nfs/dbraw/zinc/04/64/68/1424046468.db2.gz CGFSCZHCUPTRFK-NKWVEPMBSA-N 0 1 181.243 1.190 10 0 ADAEMN C[C@H]1C[C@H](C)CC[C@@H]1Nc1nn[nH]n1 693727806 1424046690 /nfs/dbraw/zinc/04/66/90/1424046690.db2.gz PCAXEZDUQVDTKT-CSMHCCOUSA-N 0 1 195.270 1.436 10 0 ADAEMN C[C@H]1CCCC[C@H]1CNc1nn[nH]n1 95254872 1424078443 /nfs/dbraw/zinc/07/84/43/1424078443.db2.gz FCFLSJDCYGKHCN-YUMQZZPRSA-N 0 1 195.270 1.438 10 0 ADAEMN CCC(CC)C[C@@H](C[NH3+])c1nn[n-]n1 34216762 1424091816 /nfs/dbraw/zinc/09/18/16/1424091816.db2.gz ILESGMIMNCRTES-QMMMGPOBSA-N 0 1 197.286 1.068 10 0 ADAEMN CC[C@@H](Nc1nn[nH]n1)C(C)C 95258660 1424092522 /nfs/dbraw/zinc/09/25/22/1424092522.db2.gz PCVZNVYECPKNJF-ZCFIWIBFSA-N 0 1 169.232 1.046 10 0 ADAEMN C[C@H]1CCCC[C@@H]1CNc1nn[nH]n1 95254870 1424112269 /nfs/dbraw/zinc/11/22/69/1424112269.db2.gz FCFLSJDCYGKHCN-JGVFFNPUSA-N 0 1 195.270 1.438 10 0 ADAEMN Nc1ccnc(-c2ccnnc2)c1 1242043710 765009507 /nfs/dbraw/zinc/00/95/07/765009507.db2.gz DGSRUOUXZMQXHO-UHFFFAOYSA-N 0 1 172.191 1.121 10 0 ADAEMN CC[C@H](Nc1nn[nH]n1)C(C)C 95258659 1424112664 /nfs/dbraw/zinc/11/26/64/1424112664.db2.gz PCVZNVYECPKNJF-LURJTMIESA-N 0 1 169.232 1.046 10 0 ADAEMN CC[C@H](CC1CC1)Nc1nn[nH]n1 95262072 1424112956 /nfs/dbraw/zinc/11/29/56/1424112956.db2.gz BESSCYDATKDLRQ-SSDOTTSWSA-N 0 1 181.243 1.190 10 0 ADAEMN CCC[C@@H](CC)Nc1nn[nH]n1 95276759 1424115767 /nfs/dbraw/zinc/11/57/67/1424115767.db2.gz CFTGSDFCXRBUTN-ZCFIWIBFSA-N 0 1 169.232 1.190 10 0 ADAEMN C[C@H](Nc1nn[nH]n1)c1ccccc1 95248429 1424129253 /nfs/dbraw/zinc/12/92/53/1424129253.db2.gz WGSLOJRNYTULGG-ZETCQYMHSA-N 0 1 189.222 1.373 10 0 ADAEMN CCC[C@H](C)[NH2+]C[C@@H](C)c1nn[n-]n1 95288291 1424134529 /nfs/dbraw/zinc/13/45/29/1424134529.db2.gz KMTKDLMUAXVMQO-SFYZADRCSA-N 0 1 197.286 1.081 10 0 ADAEMN CCC[C@H](C)[NH2+]C[C@H](C)c1nn[n-]n1 95288293 1424147505 /nfs/dbraw/zinc/14/75/05/1424147505.db2.gz KMTKDLMUAXVMQO-YUMQZZPRSA-N 0 1 197.286 1.081 10 0 ADAEMN Cc1cnc(-c2cncn2C)cc1N 1243066751 765066839 /nfs/dbraw/zinc/06/68/39/765066839.db2.gz CXJUGAHGLAUTID-UHFFFAOYSA-N 0 1 188.234 1.373 10 0 ADAEMN CC(C)(C)CC[C@@H](C[NH3+])c1nn[n-]n1 38812129 1424186889 /nfs/dbraw/zinc/18/68/89/1424186889.db2.gz WWNKKAZFBUOMCH-ZETCQYMHSA-N 0 1 197.286 1.068 10 0 ADAEMN C[C@@H]1CCCC[C@H]1Nc1nn[nH]n1 95254915 1424200734 /nfs/dbraw/zinc/20/07/34/1424200734.db2.gz CGFSCZHCUPTRFK-RNFRBKRXSA-N 0 1 181.243 1.190 10 0 ADAEMN Cc1ccc([C@H](C)Nc2nn[nH]n2)o1 95324564 1424204996 /nfs/dbraw/zinc/20/49/96/1424204996.db2.gz JNCVQIDMCZKFTO-LURJTMIESA-N 0 1 193.210 1.274 10 0 ADAEMN CC(C)CCCNc1nn[nH]n1 95199124 1424208649 /nfs/dbraw/zinc/20/86/49/1424208649.db2.gz DYPFMYBCTCNGQY-UHFFFAOYSA-N 0 1 169.232 1.048 10 0 ADAEMN CCCCc1cc(=O)n(C)[nH]1 1245927220 765131561 /nfs/dbraw/zinc/13/15/61/765131561.db2.gz QRQJOHBGJQMMSZ-UHFFFAOYSA-N 0 1 154.213 1.468 10 0 ADAEMN CC[C@@H](CC1CC1)Nc1nn[nH]n1 95262071 1424247751 /nfs/dbraw/zinc/24/77/51/1424247751.db2.gz BESSCYDATKDLRQ-ZETCQYMHSA-N 0 1 181.243 1.190 10 0 ADAEMN CC(C)C1(CNc2nn[nH]n2)CC1 693754885 1424256283 /nfs/dbraw/zinc/25/62/83/1424256283.db2.gz FVTJLSYFXIOLND-UHFFFAOYSA-N 0 1 181.243 1.048 10 0 ADAEMN C[C@@H](c1nnn[n-]1)[N@@H+](C)C1CCCC1 95137305 1424269295 /nfs/dbraw/zinc/26/92/95/1424269295.db2.gz QQCHZLPRRLRNLJ-ZETCQYMHSA-N 0 1 195.270 1.135 10 0 ADAEMN CC[C@H]1CCCC[C@@H]1Nc1nn[nH]n1 95263977 1424282897 /nfs/dbraw/zinc/28/28/97/1424282897.db2.gz FAGGFDBORKQIMX-YUMQZZPRSA-N 0 1 195.270 1.580 10 0 ADAEMN C[C@H](Nc1nn[nH]n1)C1CCCC1 95201940 1424294450 /nfs/dbraw/zinc/29/44/50/1424294450.db2.gz BEKPCCSQWIWOPC-LURJTMIESA-N 0 1 181.243 1.190 10 0 ADAEMN C[C@@H]1CCC[C@@H](Nc2nn[nH]n2)[C@@H]1C 95254506 1424304996 /nfs/dbraw/zinc/30/49/96/1424304996.db2.gz UJCDRLUBJLICNT-BWZBUEFSSA-N 0 1 195.270 1.436 10 0 ADAEMN CC(C)CCC[C@@H](C)Nc1nn[nH]n1 95225217 1424321573 /nfs/dbraw/zinc/32/15/73/1424321573.db2.gz XHLASGPKJBWNHE-MRVPVSSYSA-N 0 1 197.286 1.826 10 0 ADAEMN CC[C@@H](C)C[N@@H+](C)[C@@H](C)c1nnn[n-]1 95274686 1424338496 /nfs/dbraw/zinc/33/84/96/1424338496.db2.gz JMWPOHFDBGIPIR-SFYZADRCSA-N 0 1 197.286 1.239 10 0 ADAEMN C[C@@H](CC1CCCC1)Nc1nn[nH]n1 712536965 1424341850 /nfs/dbraw/zinc/34/18/50/1424341850.db2.gz YIJLSYFBFWXVHA-ZETCQYMHSA-N 0 1 195.270 1.580 10 0 ADAEMN CC(C)C[C@@H](C)Nc1nn[nH]n1 95224709 1424354704 /nfs/dbraw/zinc/35/47/04/1424354704.db2.gz NOLWWQRVPDPJCJ-ZCFIWIBFSA-N 0 1 169.232 1.046 10 0 ADAEMN CCC(=O)Cc1ccc2cncn2c1 1249921916 765370397 /nfs/dbraw/zinc/37/03/97/765370397.db2.gz BJBQJPGFUODEST-UHFFFAOYSA-N 0 1 188.230 1.856 10 0 ADAEMN COCCc1cnc(N)cc1C 1249938683 765386511 /nfs/dbraw/zinc/38/65/11/765386511.db2.gz IRSXCVRDTZYYFH-UHFFFAOYSA-N 0 1 166.224 1.161 10 0 ADAEMN COCCc1cnc(N)c(C)c1 1249940450 765393691 /nfs/dbraw/zinc/39/36/91/765393691.db2.gz UMQBZOZBBWAMST-UHFFFAOYSA-N 0 1 166.224 1.161 10 0 ADAEMN C[C@@H]1CCC[C@H](Nc2nn[nH]n2)[C@@H]1C 95254504 1424445800 /nfs/dbraw/zinc/44/58/00/1424445800.db2.gz UJCDRLUBJLICNT-PRJMDXOYSA-N 0 1 195.270 1.436 10 0 ADAEMN C[C@@H](Nc1nn[nH]n1)C1CCCC1 95201941 1424473078 /nfs/dbraw/zinc/47/30/78/1424473078.db2.gz BEKPCCSQWIWOPC-ZCFIWIBFSA-N 0 1 181.243 1.190 10 0 ADAEMN CC(C)(C)CC[C@H](C[NH3+])c1nn[n-]n1 38812130 1424481418 /nfs/dbraw/zinc/48/14/18/1424481418.db2.gz WWNKKAZFBUOMCH-SSDOTTSWSA-N 0 1 197.286 1.068 10 0 ADAEMN CCC1(CNc2nn[nH]n2)CCCC1 693729325 1424483614 /nfs/dbraw/zinc/48/36/14/1424483614.db2.gz FXJGMWUAYKLEED-UHFFFAOYSA-N 0 1 195.270 1.582 10 0 ADAEMN C[C@H](Nc1nn[nH]n1)c1cccs1 95230568 1424491559 /nfs/dbraw/zinc/49/15/59/1424491559.db2.gz SLDKPAATUJPVLQ-YFKPBYRVSA-N 0 1 195.251 1.434 10 0 ADAEMN C[C@H]1CCC[C@@H](N(C)c2nn[n-]n2)C1 693680415 1424492680 /nfs/dbraw/zinc/49/26/80/1424492680.db2.gz MNEIYBRFNSZXOP-JGVFFNPUSA-N 0 1 195.270 1.215 10 0 ADAEMN C[C@H]1CCC[C@@H](N(C)c2nn[nH]n2)C1 693680415 1424492685 /nfs/dbraw/zinc/49/26/85/1424492685.db2.gz MNEIYBRFNSZXOP-JGVFFNPUSA-N 0 1 195.270 1.215 10 0 ADAEMN C[C@H]1[C@H](C)CCC[C@H]1Nc1nn[nH]n1 693740133 1424517145 /nfs/dbraw/zinc/51/71/45/1424517145.db2.gz UJCDRLUBJLICNT-GJMOJQLCSA-N 0 1 195.270 1.436 10 0 ADAEMN Cc1cc(CNc2nn[nH]n2)c(C)o1 307194492 1424523833 /nfs/dbraw/zinc/52/38/33/1424523833.db2.gz PRUJVDBEPCDZED-UHFFFAOYSA-N 0 1 193.210 1.022 10 0 ADAEMN CC(C)(C)CCNc1nn[nH]n1 83339983 1424530975 /nfs/dbraw/zinc/53/09/75/1424530975.db2.gz INVNUIVSFTUROQ-UHFFFAOYSA-N 0 1 169.232 1.048 10 0 ADAEMN CCCCC[C@H](C)Nc1nn[nH]n1 95277320 1424543263 /nfs/dbraw/zinc/54/32/63/1424543263.db2.gz JAHLJQYHOKMMBV-ZETCQYMHSA-N 0 1 183.259 1.580 10 0 ADAEMN CC(C)C[N@@H+](Cc1nnn[n-]1)C(C)C 95206972 1424548989 /nfs/dbraw/zinc/54/89/89/1424548989.db2.gz HGJNRUZDECRXNS-UHFFFAOYSA-N 0 1 197.286 1.066 10 0 ADAEMN CC[C@H](C)C[N@@H+](C)[C@@H](C)c1nnn[n-]1 95274687 1424550086 /nfs/dbraw/zinc/55/00/86/1424550086.db2.gz JMWPOHFDBGIPIR-YUMQZZPRSA-N 0 1 197.286 1.239 10 0 ADAEMN CCC[C@@H](Nc1nn[nH]n1)C1CCC1 693666817 1424573489 /nfs/dbraw/zinc/57/34/89/1424573489.db2.gz VNEYAORZBRTIAK-MRVPVSSYSA-N 0 1 195.270 1.580 10 0 ADAEMN CC1CCC(Nc2nn[nH]n2)CC1 95253786 1424576415 /nfs/dbraw/zinc/57/64/15/1424576415.db2.gz GVJBEDAWSPYCMK-UHFFFAOYSA-N 0 1 181.243 1.190 10 0 ADAEMN CCC[C@@H](C)[NH2+]C[C@@H](C)c1nn[n-]n1 95288290 1424589456 /nfs/dbraw/zinc/58/94/56/1424589456.db2.gz KMTKDLMUAXVMQO-HTQZYQBOSA-N 0 1 197.286 1.081 10 0 ADAEMN CCC[C@@H](C)CNc1nn[nH]n1 83339981 1424599746 /nfs/dbraw/zinc/59/97/46/1424599746.db2.gz XZOZRKAJBQCHJR-ZCFIWIBFSA-N 0 1 169.232 1.048 10 0 ADAEMN CC[C@H](C)[C@@H](C)Nc1nn[nH]n1 95259402 1424611845 /nfs/dbraw/zinc/61/18/45/1424611845.db2.gz SMDXOUQSXIENEP-NTSWFWBYSA-N 0 1 169.232 1.046 10 0 ADAEMN C[C@@H](CC1CCC1)Nc1nn[nH]n1 710318788 1424621490 /nfs/dbraw/zinc/62/14/90/1424621490.db2.gz PASRXYUWMJMDLN-LURJTMIESA-N 0 1 181.243 1.190 10 0 ADAEMN Clc1ccc(CNc2nn[nH]n2)o1 306458591 1424638791 /nfs/dbraw/zinc/63/87/91/1424638791.db2.gz ZWLMPYCDFULEMF-UHFFFAOYSA-N 0 1 199.601 1.058 10 0 ADAEMN CCCC[C@@H](C)Nc1nn[nH]n1 95277228 1424648578 /nfs/dbraw/zinc/64/85/78/1424648578.db2.gz NENQYVFILWHWJF-ZCFIWIBFSA-N 0 1 169.232 1.190 10 0 ADAEMN CCC(C)(CC)Nc1nn[n-]n1 95162212 1424656666 /nfs/dbraw/zinc/65/66/66/1424656666.db2.gz LUPFXMVMMGEZHF-UHFFFAOYSA-N 0 1 169.232 1.190 10 0 ADAEMN CCC(C)(CC)Nc1nn[nH]n1 95162212 1424656669 /nfs/dbraw/zinc/65/66/69/1424656669.db2.gz LUPFXMVMMGEZHF-UHFFFAOYSA-N 0 1 169.232 1.190 10 0 ADAEMN C1CCCCN(c2nn[nH]n2)CCC1 140194237 1424735428 /nfs/dbraw/zinc/73/54/28/1424735428.db2.gz DYFBFSGVDRCWGA-UHFFFAOYSA-N 0 1 195.270 1.360 10 0 ADAEMN CCC[C@@H](C)[NH2+]C[C@H](C)c1nn[n-]n1 95288292 1424754755 /nfs/dbraw/zinc/75/47/55/1424754755.db2.gz KMTKDLMUAXVMQO-JGVFFNPUSA-N 0 1 197.286 1.081 10 0 ADAEMN CC1CCC(CNc2nn[nH]n2)CC1 95253753 1424765296 /nfs/dbraw/zinc/76/52/96/1424765296.db2.gz COZMLCWOFZUVBZ-UHFFFAOYSA-N 0 1 195.270 1.438 10 0 ADAEMN Cc1cccc(CNc2nn[n-]n2)c1 83341452 1424776462 /nfs/dbraw/zinc/77/64/62/1424776462.db2.gz TYJLTPJLOSMGGE-UHFFFAOYSA-N 0 1 189.222 1.120 10 0 ADAEMN Cc1cccc(CNc2nn[nH]n2)c1 83341452 1424776468 /nfs/dbraw/zinc/77/64/68/1424776468.db2.gz TYJLTPJLOSMGGE-UHFFFAOYSA-N 0 1 189.222 1.120 10 0 ADAEMN CC(C)(C)CC(C)(C)Nc1nn[nH]n1 95204637 1424783610 /nfs/dbraw/zinc/78/36/10/1424783610.db2.gz KXMTYQAEMKPELZ-UHFFFAOYSA-N 0 1 197.286 1.826 10 0 ADAEMN Cc1cccc(Nc2nn[n-]n2)c1 95213768 1424795483 /nfs/dbraw/zinc/79/54/83/1424795483.db2.gz XORTWBJURUDPSO-UHFFFAOYSA-N 0 1 175.195 1.252 10 0 ADAEMN CC1(C)CCC(Nc2nn[nH]n2)CC1 95231339 1424812452 /nfs/dbraw/zinc/81/24/52/1424812452.db2.gz POUKHRFBEZLHMH-UHFFFAOYSA-N 0 1 195.270 1.580 10 0 ADAEMN C[C@@H]1CC[C@H](Nc2nn[nH]n2)[C@H](C)C1 95253326 1424818124 /nfs/dbraw/zinc/81/81/24/1424818124.db2.gz PCAXEZDUQVDTKT-PRJMDXOYSA-N 0 1 195.270 1.436 10 0 ADAEMN C[C@H]1CCC[C@@H](Nc2nn[nH]n2)C1 95254235 1424822202 /nfs/dbraw/zinc/82/22/02/1424822202.db2.gz DTJZJUVHODEAQK-NKWVEPMBSA-N 0 1 181.243 1.190 10 0 ADAEMN C1CCCC(Nc2nn[nH]n2)CC1 95124429 1424882258 /nfs/dbraw/zinc/88/22/58/1424882258.db2.gz QVQCLZXXHSIKQQ-UHFFFAOYSA-N 0 1 181.243 1.334 10 0 ADAEMN C[C@H](CCC(C)(C)C)Nc1nn[nH]n1 693755964 1424909351 /nfs/dbraw/zinc/90/93/51/1424909351.db2.gz MDFOXIAAFRKHDY-SSDOTTSWSA-N 0 1 197.286 1.826 10 0 ADAEMN CC(C)C[C@@H]1C[C@@H]1Nc1nn[nH]n1 693727161 1424956964 /nfs/dbraw/zinc/95/69/64/1424956964.db2.gz GEWBSQYCPHJKEC-RQJHMYQMSA-N 0 1 181.243 1.046 10 0 ADAEMN CC(C)C[C@@H](C)[N@@H+](C)Cc1nnn[n-]1 95241740 1424957085 /nfs/dbraw/zinc/95/70/85/1424957085.db2.gz PJYYYVCNSYBQNJ-MRVPVSSYSA-N 0 1 197.286 1.066 10 0 ADAEMN C[C@@H]1CCC[C@H](Nc2nn[nH]n2)CC1 693694795 1424957841 /nfs/dbraw/zinc/95/78/41/1424957841.db2.gz DPRNTYFVUZKJIL-SFYZADRCSA-N 0 1 195.270 1.580 10 0 ADAEMN C1CC[C@]2(CNc3nn[nH]n3)C[C@@H]2C1 693737629 1424958505 /nfs/dbraw/zinc/95/85/05/1424958505.db2.gz GMXRYQJAKCVNQH-IONNQARKSA-N 0 1 193.254 1.192 10 0 ADAEMN C(C[C@@H]1C[C@@H]1C1CC1)Nc1nn[nH]n1 712812357 1425036316 /nfs/dbraw/zinc/03/63/16/1425036316.db2.gz QHIAUQXZOXRHJL-HTQZYQBOSA-N 0 1 193.254 1.048 10 0 ADAEMN CCCC(C)(C)Nc1nn[nH]n1 693755017 1425045795 /nfs/dbraw/zinc/04/57/95/1425045795.db2.gz HLKLMIVZZZQWLV-UHFFFAOYSA-N 0 1 169.232 1.190 10 0 ADAEMN C[C@H]1C[C@@H](C)C[C@H](Nc2nn[nH]n2)C1 693678564 1425067994 /nfs/dbraw/zinc/06/79/94/1425067994.db2.gz UWBASGFHMHDHCJ-JIGDXULJSA-N 0 1 195.270 1.436 10 0 ADAEMN C1CCC2(C1)CC[C@@H]2Nc1nn[nH]n1 693784811 1425090034 /nfs/dbraw/zinc/09/00/34/1425090034.db2.gz QLZLWXUJZCXZDO-ZETCQYMHSA-N 0 1 193.254 1.334 10 0 ADAEMN C[C@@H](CN(C)c1nn[nH]n1)C1CCC1 693740531 1425100644 /nfs/dbraw/zinc/10/06/44/1425100644.db2.gz ZKEPTOSGSKVWEM-ZETCQYMHSA-N 0 1 195.270 1.072 10 0 ADAEMN C1CCC2(C1)CC[C@H]2Nc1nn[nH]n1 693784809 1425709837 /nfs/dbraw/zinc/70/98/37/1425709837.db2.gz QLZLWXUJZCXZDO-SSDOTTSWSA-N 0 1 193.254 1.334 10 0 ADAEMN CC(C)C[C@@H]1CCCN1c1nn[nH]n1 693728932 1425783290 /nfs/dbraw/zinc/78/32/90/1425783290.db2.gz CIOKJYYVGSXMJO-QMMMGPOBSA-N 0 1 195.270 1.215 10 0 ADAEMN CC(C)(C)[C@@H](Nc1nn[nH]n1)C1CC1 693728252 1425807028 /nfs/dbraw/zinc/80/70/28/1425807028.db2.gz WRYJPKFIMJIKFV-ZETCQYMHSA-N 0 1 195.270 1.436 10 0 ADAEMN Nc1cc(CCCCF)ccn1 1250261590 767016788 /nfs/dbraw/zinc/01/67/88/767016788.db2.gz GVTMPDBJWNJURB-UHFFFAOYSA-N 0 1 168.215 1.956 10 0 ADAEMN Nc1cnn(-c2ccc3cncn3c2)c1 1250322770 767030184 /nfs/dbraw/zinc/03/01/84/767030184.db2.gz LFNZIIAXEWELGL-UHFFFAOYSA-N 0 1 199.217 1.102 10 0 ADAEMN CC[C@@H](O)CNc1cc(OC)ccn1 1251757237 767084088 /nfs/dbraw/zinc/08/40/88/767084088.db2.gz WEAVTGWCGKKOJL-MRVPVSSYSA-N 0 1 196.250 1.273 10 0 ADAEMN O[C@@H](CN[C@@H]1C[C@H]1F)c1ccccc1 1252002751 767104516 /nfs/dbraw/zinc/10/45/16/767104516.db2.gz PGVNJLBSOQOGBC-MXWKQRLJSA-N 0 1 195.237 1.420 10 0 ADAEMN O[C@H](CN[C@@H]1C[C@H]1F)c1ccccc1 1252002750 767105571 /nfs/dbraw/zinc/10/55/71/767105571.db2.gz PGVNJLBSOQOGBC-GMTAPVOTSA-N 0 1 195.237 1.420 10 0 ADAEMN CCC(CC)CN(CC)c1nn[nH]n1 693716084 1425962408 /nfs/dbraw/zinc/96/24/08/1425962408.db2.gz LFGPRXLDHILBMV-UHFFFAOYSA-N 0 1 197.286 1.462 10 0 ADAEMN CCCC[C@H](O)CN(C)CCF 1252099767 767120278 /nfs/dbraw/zinc/12/02/78/767120278.db2.gz OTOGJDNOBPDBMG-VIFPVBQESA-N 0 1 177.263 1.439 10 0 ADAEMN CCCC[C@@H](O)CN(C)CCF 1252099766 767122484 /nfs/dbraw/zinc/12/24/84/767122484.db2.gz OTOGJDNOBPDBMG-SECBINFHSA-N 0 1 177.263 1.439 10 0 ADAEMN C[C@@H](CCC1CC1)N(C)c1nn[nH]n1 693675528 1425988845 /nfs/dbraw/zinc/98/88/45/1425988845.db2.gz CBJYIUYQPUCZDP-ZETCQYMHSA-N 0 1 195.270 1.215 10 0 ADAEMN CCC[C@@H](O)CN(C)CCF 1252786387 767190471 /nfs/dbraw/zinc/19/04/71/767190471.db2.gz HRFJBLKVSNZEOU-MRVPVSSYSA-N 0 1 163.236 1.049 10 0 ADAEMN CCC[C@H](O)CN(C)CCF 1252786393 767191042 /nfs/dbraw/zinc/19/10/42/767191042.db2.gz HRFJBLKVSNZEOU-QMMMGPOBSA-N 0 1 163.236 1.049 10 0 ADAEMN CCC[C@@H](O)CN(C)Cc1ccno1 1252789284 767194938 /nfs/dbraw/zinc/19/49/38/767194938.db2.gz JFOPZYHPMMFPNT-SECBINFHSA-N 0 1 198.266 1.267 10 0 ADAEMN CCC[C@H](O)CN(C)Cc1ccno1 1252789290 767195196 /nfs/dbraw/zinc/19/51/96/767195196.db2.gz JFOPZYHPMMFPNT-VIFPVBQESA-N 0 1 198.266 1.267 10 0 ADAEMN C[C@H]1CCCC[C@@]1(C)Nc1nn[nH]n1 693729243 1426169261 /nfs/dbraw/zinc/16/92/61/1426169261.db2.gz DQASSAMBHCELBD-IONNQARKSA-N 0 1 195.270 1.580 10 0 ADAEMN CC[C@](C)(Nc1nn[nH]n1)C1CC1 693669028 1426197425 /nfs/dbraw/zinc/19/74/25/1426197425.db2.gz DDGSZZXUSKMYMK-QMMMGPOBSA-N 0 1 181.243 1.190 10 0 ADAEMN CC(F)(F)CCCNc1nn[nH]n1 693696440 1426305046 /nfs/dbraw/zinc/30/50/46/1426305046.db2.gz NNGKBWIGXMCJDT-UHFFFAOYSA-N 0 1 191.185 1.047 10 0 ADAEMN CCCCCC[C@H](C)Nc1nn[nH]n1 693730850 1426336472 /nfs/dbraw/zinc/33/64/72/1426336472.db2.gz QQHMTUDHPXFBLG-QMMMGPOBSA-N 0 1 197.286 1.971 10 0 ADAEMN C[C@H](CC1CCCC1)Nc1nn[nH]n1 712536964 1426361116 /nfs/dbraw/zinc/36/11/16/1426361116.db2.gz YIJLSYFBFWXVHA-SSDOTTSWSA-N 0 1 195.270 1.580 10 0 ADAEMN C[C@H]1C[C@@H](C)CN(c2nn[nH]n2)[C@H]1C 693730906 1426427925 /nfs/dbraw/zinc/42/79/25/1426427925.db2.gz RTSMQTOSHDBSOA-CSMHCCOUSA-N 0 1 195.270 1.071 10 0 ADAEMN CC[C@H]1CCC[C@H](Nc2nn[nH]n2)C1 693729340 1426544632 /nfs/dbraw/zinc/54/46/32/1426544632.db2.gz GRPNZCGTEHHIDV-YUMQZZPRSA-N 0 1 195.270 1.580 10 0 ADAEMN CC[C@@H](C)CN(CC)c1nn[nH]n1 693661128 1426556237 /nfs/dbraw/zinc/55/62/37/1426556237.db2.gz XHPNTMLBCRGKAC-SSDOTTSWSA-N 0 1 183.259 1.072 10 0 ADAEMN CC(C)CN(c1nn[nH]n1)C(C)C 693694249 1426587291 /nfs/dbraw/zinc/58/72/91/1426587291.db2.gz BIUSJQTTWRTQNG-UHFFFAOYSA-N 0 1 183.259 1.071 10 0 ADAEMN C1C[C@H](Nc2nn[nH]n2)CC2(C1)CC2 693678197 1426633738 /nfs/dbraw/zinc/63/37/38/1426633738.db2.gz SBGCCRNULNYWQL-ZETCQYMHSA-N 0 1 193.254 1.334 10 0 ADAEMN C(C[C@H]1C[C@@H]1C1CC1)Nc1nn[nH]n1 712812358 1426674455 /nfs/dbraw/zinc/67/44/55/1426674455.db2.gz QHIAUQXZOXRHJL-JGVFFNPUSA-N 0 1 193.254 1.048 10 0 ADAEMN CCCN(CC(C)C)c1nn[nH]n1 693713243 1426751377 /nfs/dbraw/zinc/75/13/77/1426751377.db2.gz JAHYNWLNTRPXFT-UHFFFAOYSA-N 0 1 183.259 1.072 10 0 ADAEMN C1CC2(CCC1Nc1nn[nH]n1)CC2 693675525 1426760789 /nfs/dbraw/zinc/76/07/89/1426760789.db2.gz CABVJUHIVYEXTI-UHFFFAOYSA-N 0 1 193.254 1.334 10 0 ADAEMN CC(C)C[C@H]1C[C@@H]1CNc1nn[nH]n1 693727122 1426775961 /nfs/dbraw/zinc/77/59/61/1426775961.db2.gz FKCSOAOPBSNVEA-JGVFFNPUSA-N 0 1 195.270 1.294 10 0 ADAEMN C[C@H]1CCCCC[C@@H]1Nc1nn[nH]n1 693727270 1426818861 /nfs/dbraw/zinc/81/88/61/1426818861.db2.gz HKTWNCAGEUJYDD-YUMQZZPRSA-N 0 1 195.270 1.580 10 0 ADAEMN CCN(c1nn[nH]n1)[C@H](C)C(C)C 706501479 1426823418 /nfs/dbraw/zinc/82/34/18/1426823418.db2.gz QAFLRSBNPBMCND-SSDOTTSWSA-N 0 1 183.259 1.071 10 0 ADAEMN C[C@H]1CC(Nc2nn[nH]n2)C[C@H](C)C1 693678566 1426866162 /nfs/dbraw/zinc/86/61/62/1426866162.db2.gz UWBASGFHMHDHCJ-RNFRBKRXSA-N 0 1 195.270 1.436 10 0 ADAEMN C[C@@H]1CCC[C@@H](N(C)c2nn[nH]n2)C1 693680412 1426986971 /nfs/dbraw/zinc/98/69/71/1426986971.db2.gz MNEIYBRFNSZXOP-HTQZYQBOSA-N 0 1 195.270 1.215 10 0 ADAEMN CC(C)(C)[C@H](Nc1nn[nH]n1)C1CC1 693728250 1426995749 /nfs/dbraw/zinc/99/57/49/1426995749.db2.gz WRYJPKFIMJIKFV-SSDOTTSWSA-N 0 1 195.270 1.436 10 0 ADAEMN C(CNc1nn[nH]n1)CC1CCC1 693708835 1427068562 /nfs/dbraw/zinc/06/85/62/1427068562.db2.gz AIHLCEAMQAHIIH-UHFFFAOYSA-N 0 1 181.243 1.192 10 0 ADAEMN C[C@@H](CCC1CC1)Nc1nn[nH]n1 693676687 1427307645 /nfs/dbraw/zinc/30/76/45/1427307645.db2.gz HHRQATMLDOCFIE-LURJTMIESA-N 0 1 181.243 1.190 10 0 ADAEMN CCN(CC(C)(C)C)c1nn[nH]n1 693658634 1427314009 /nfs/dbraw/zinc/31/40/09/1427314009.db2.gz JUGYVTBKUOSEMN-UHFFFAOYSA-N 0 1 183.259 1.072 10 0 ADAEMN CC[C@@H]1CCC[C@@H](Nc2nn[nH]n2)C1 693729337 1427341245 /nfs/dbraw/zinc/34/12/45/1427341245.db2.gz GRPNZCGTEHHIDV-HTQZYQBOSA-N 0 1 195.270 1.580 10 0 ADAEMN C1C[C@@H](Nc2nn[nH]n2)CC2(C1)CC2 693678196 1427429518 /nfs/dbraw/zinc/42/95/18/1427429518.db2.gz SBGCCRNULNYWQL-SSDOTTSWSA-N 0 1 193.254 1.334 10 0 ADAEMN C[C@H]1CC[C@H](Nc2nn[nH]n2)CC1 668413105 1427641039 /nfs/dbraw/zinc/64/10/39/1427641039.db2.gz GVJBEDAWSPYCMK-LJGSYFOKSA-N 0 1 181.243 1.190 10 0 ADAEMN CC[C@@H]1CCC[C@H](Nc2nn[nH]n2)C1 693729339 1427753370 /nfs/dbraw/zinc/75/33/70/1427753370.db2.gz GRPNZCGTEHHIDV-SFYZADRCSA-N 0 1 195.270 1.580 10 0 ADAEMN C[C@@H](CN(C)c1nn[nH]n1)C(C)(C)C 693681654 1427788404 /nfs/dbraw/zinc/78/84/04/1427788404.db2.gz ZTCLPJHZWMMNGW-ZETCQYMHSA-N 0 1 197.286 1.318 10 0 ADAEMN CC(C)C[C@H]1CCCN1c1nn[nH]n1 693728931 1427802181 /nfs/dbraw/zinc/80/21/81/1427802181.db2.gz CIOKJYYVGSXMJO-MRVPVSSYSA-N 0 1 195.270 1.215 10 0 ADAEMN CCC(C)(C)[C@@H](C)Nc1nn[nH]n1 693732433 1427807461 /nfs/dbraw/zinc/80/74/61/1427807461.db2.gz FMNKXCUVZLMEEF-ZCFIWIBFSA-N 0 1 183.259 1.436 10 0 ADAEMN C[C@H]1CCC[C@H](N(C)c2nn[nH]n2)C1 693680420 1427812731 /nfs/dbraw/zinc/81/27/31/1427812731.db2.gz MNEIYBRFNSZXOP-YUMQZZPRSA-N 0 1 195.270 1.215 10 0 ADAEMN CCC[C@H]1CCCN(c2nn[nH]n2)C1 708494493 1427828739 /nfs/dbraw/zinc/82/87/39/1427828739.db2.gz LFSXZUFQPTYMHW-QMMMGPOBSA-N 0 1 195.270 1.216 10 0 ADAEMN C1C[C@H](CNc2nn[nH]n2)C2(C1)CC2 706255576 1427911424 /nfs/dbraw/zinc/91/14/24/1427911424.db2.gz MKANFYPDEYIRRH-SSDOTTSWSA-N 0 1 193.254 1.192 10 0 ADAEMN CCCCCC[C@@H](C)Nc1nn[nH]n1 693730848 1427975435 /nfs/dbraw/zinc/97/54/35/1427975435.db2.gz QQHMTUDHPXFBLG-MRVPVSSYSA-N 0 1 197.286 1.971 10 0 ADAEMN CCC1(CC)CCN(c2nn[nH]n2)C1 693712908 1427985675 /nfs/dbraw/zinc/98/56/75/1427985675.db2.gz BEHOAJSVNJSPBO-UHFFFAOYSA-N 0 1 195.270 1.216 10 0 ADAEMN CCC(C)(C)[C@H](C)Nc1nn[nH]n1 693732432 1427986272 /nfs/dbraw/zinc/98/62/72/1427986272.db2.gz FMNKXCUVZLMEEF-LURJTMIESA-N 0 1 183.259 1.436 10 0 ADAEMN CC(C)C[C@H]1C[C@H]1CNc1nn[nH]n1 693727125 1428012385 /nfs/dbraw/zinc/01/23/85/1428012385.db2.gz FKCSOAOPBSNVEA-YUMQZZPRSA-N 0 1 195.270 1.294 10 0 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