smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCOCCn1c(C)n[n-]c1=S 36230081 537802815 /nfs/dbraw/zinc/80/28/15/537802815.db2.gz UXVHSJBZWNQSQO-UHFFFAOYSA-N -1 1 187.268 1.286 10 0 ADAEMM O=C([O-])C(F)(F)CNCCCCF 685957781 537857441 /nfs/dbraw/zinc/85/74/41/537857441.db2.gz FWRBPGDVQYJHQC-UHFFFAOYSA-N -1 1 199.172 1.046 10 0 ADAEMM C[C@@H](NCC(F)(F)C(=O)[O-])C1CC1 685957932 537858629 /nfs/dbraw/zinc/85/86/29/537858629.db2.gz LYAIWBLBYNPPLG-RXMQYKEDSA-N -1 1 193.193 1.094 10 0 ADAEMM CCC(C)(C)NCC(F)(F)C(=O)[O-] 685958123 537858909 /nfs/dbraw/zinc/85/89/09/537858909.db2.gz PMOBTWSAIXSFCH-UHFFFAOYSA-N -1 1 195.209 1.485 10 0 ADAEMM O=C([O-])C(F)(F)CNCC1CCC1 685958403 537859835 /nfs/dbraw/zinc/85/98/35/537859835.db2.gz YIQRNRLFLQZYNT-UHFFFAOYSA-N -1 1 193.193 1.096 10 0 ADAEMM CC[C@H](C)CNCC(F)(F)C(=O)[O-] 685958182 537860167 /nfs/dbraw/zinc/86/01/67/537860167.db2.gz SCAAQBBEMQCUGK-LURJTMIESA-N 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/nfs/dbraw/zinc/89/08/86/537890886.db2.gz ZANDGTAATMEVIF-UHFFFAOYSA-N -1 1 177.207 1.306 10 0 ADAEMM Cc1cc([O-])n2nc(C3CC3)nc2c1 725242955 537891026 /nfs/dbraw/zinc/89/10/26/537891026.db2.gz CIFVMGTWRUCUPN-UHFFFAOYSA-N -1 1 189.218 1.621 10 0 ADAEMM Cc1cc2ncnn2c([O-])c1C 725243017 537891139 /nfs/dbraw/zinc/89/11/39/537891139.db2.gz FXCOOCYNOOPRPI-UHFFFAOYSA-N -1 1 163.180 1.052 10 0 ADAEMM Cc1nc2cc(C3CC3)cc([O-])n2n1 725243271 537891412 /nfs/dbraw/zinc/89/14/12/537891412.db2.gz UECCRMMLULDYDN-UHFFFAOYSA-N -1 1 189.218 1.621 10 0 ADAEMM CCc1cc([O-])n2nc(CC)nc2c1 725243047 537891491 /nfs/dbraw/zinc/89/14/91/537891491.db2.gz HKPAWDOIYUIMIC-UHFFFAOYSA-N -1 1 191.234 1.560 10 0 ADAEMM CCc1c(C)cc2nc(C)nn2c1[O-] 725243067 537891604 /nfs/dbraw/zinc/89/16/04/537891604.db2.gz IKUAPOVCTZRZSL-UHFFFAOYSA-N -1 1 191.234 1.614 10 0 ADAEMM Cc1nc2cc(C)c(C)c([O-])n2n1 725242927 537891821 /nfs/dbraw/zinc/89/18/21/537891821.db2.gz AOTQYHMRXGXLBM-UHFFFAOYSA-N -1 1 177.207 1.360 10 0 ADAEMM 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538215165 /nfs/dbraw/zinc/21/51/65/538215165.db2.gz IIUDSJYIUDPOPU-UHFFFAOYSA-N -1 1 198.262 1.930 10 0 ADAEMM CCC(=O)C(C(=O)C(C)C)=C([O-])CC 230798136 538215546 /nfs/dbraw/zinc/21/55/46/538215546.db2.gz XMNSPLZTWQPXCX-UHFFFAOYSA-N -1 1 198.262 1.786 10 0 ADAEMM CC(=O)C(C(C)=O)=C([O-])C(C)(F)F 300836847 538295753 /nfs/dbraw/zinc/29/57/53/538295753.db2.gz DMBASTSMPKWBML-UHFFFAOYSA-N -1 1 192.161 1.005 10 0 ADAEMM CC[C@H](C)NCC(F)(F)C(=O)[O-] 308127992 538319913 /nfs/dbraw/zinc/31/99/13/538319913.db2.gz WARDDDJGZBVFNC-YFKPBYRVSA-N -1 1 181.182 1.094 10 0 ADAEMM CCC[C@H](C)NCC(F)(F)C(=O)[O-] 308222359 538320281 /nfs/dbraw/zinc/32/02/81/538320281.db2.gz DAIXRUOCUUBVOQ-LURJTMIESA-N -1 1 195.209 1.485 10 0 ADAEMM CC[C@@H](C)NCC(F)(F)C(=O)[O-] 308127991 538320490 /nfs/dbraw/zinc/32/04/90/538320490.db2.gz WARDDDJGZBVFNC-RXMQYKEDSA-N -1 1 181.182 1.094 10 0 ADAEMM CCC[C@@H](C)NCC(F)(F)C(=O)[O-] 308222361 538320962 /nfs/dbraw/zinc/32/09/62/538320962.db2.gz DAIXRUOCUUBVOQ-ZCFIWIBFSA-N -1 1 195.209 1.485 10 0 ADAEMM C[C@@H]1C[C@@H]1C([O-])=CC(=O)C(F)(F)F 321528378 538324522 /nfs/dbraw/zinc/32/45/22/538324522.db2.gz RJFFTKFHCLFHAI-UHNVWZDZSA-N -1 1 194.152 1.733 10 0 ADAEMM C[C@@H]1C[C@H]1C([O-])=CC(=O)C(F)(F)F 321528376 538326470 /nfs/dbraw/zinc/32/64/70/538326470.db2.gz RJFFTKFHCLFHAI-RFZPGFLSSA-N -1 1 194.152 1.733 10 0 ADAEMM C[C@H]1C[C@H]1C([O-])=CC(=O)C(F)(F)F 321528375 538326605 /nfs/dbraw/zinc/32/66/05/538326605.db2.gz RJFFTKFHCLFHAI-CRCLSJGQSA-N -1 1 194.152 1.733 10 0 ADAEMM C[C@H]1C[C@@H]1C([O-])=CC(=O)C(F)(F)F 321528379 538326935 /nfs/dbraw/zinc/32/69/35/538326935.db2.gz RJFFTKFHCLFHAI-WHFBIAKZSA-N -1 1 194.152 1.733 10 0 ADAEMM CCC(CC)NCC(F)(F)C(=O)[O-] 379392395 538387820 /nfs/dbraw/zinc/38/78/20/538387820.db2.gz RUFNUMNHXDBBEI-UHFFFAOYSA-N -1 1 195.209 1.485 10 0 ADAEMM Cc1cc2c(=O)cn[n-]c2cc1F 669376636 538442996 /nfs/dbraw/zinc/44/29/96/538442996.db2.gz DCOPJRKNTYSEDR-UHFFFAOYSA-N -1 1 178.166 1.783 10 0 ADAEMM COc1cc2[n-]ncc(=O)c2cc1F 669376862 538443047 /nfs/dbraw/zinc/44/30/47/538443047.db2.gz ZQPKLYHNHHFYOS-UHFFFAOYSA-N -1 1 194.165 1.483 10 0 ADAEMM Cc1n[n-]c2cc(F)c(F)cc2c1=O 669376749 538443081 /nfs/dbraw/zinc/44/30/81/538443081.db2.gz NNUNFUXVJWVINO-UHFFFAOYSA-N -1 1 196.156 1.922 10 0 ADAEMM CC[C@H](C)c1coc(CN)c1C(=O)[O-] 675051438 538447811 /nfs/dbraw/zinc/44/78/11/538447811.db2.gz KVSSTKNHWYSRCP-LURJTMIESA-N -1 1 197.234 1.950 10 0 ADAEMM NCc1occ(CC2CC2)c1C(=O)[O-] 675051387 538447456 /nfs/dbraw/zinc/44/74/56/538447456.db2.gz ITRIZGABSJUEAZ-UHFFFAOYSA-N -1 1 195.218 1.389 10 0 ADAEMM NCc1occ(C2CCC2)c1C(=O)[O-] 675051129 538447710 /nfs/dbraw/zinc/44/77/10/538447710.db2.gz AZBJEIWZUDRLHW-UHFFFAOYSA-N -1 1 195.218 1.704 10 0 ADAEMM NCc1occ(C2CC2)c1C(=O)[O-] 675051484 538447600 /nfs/dbraw/zinc/44/76/00/538447600.db2.gz LZOWVUPCJUTURT-UHFFFAOYSA-N -1 1 181.191 1.314 10 0 ADAEMM CCCc1coc(CN)c1C(=O)[O-] 675051688 538447609 /nfs/dbraw/zinc/44/76/09/538447609.db2.gz QEAHWMLNMVFLMH-UHFFFAOYSA-N -1 1 183.207 1.389 10 0 ADAEMM CC[C@@H](C)c1coc(CN)c1C(=O)[O-] 675051439 538447679 /nfs/dbraw/zinc/44/76/79/538447679.db2.gz KVSSTKNHWYSRCP-ZCFIWIBFSA-N -1 1 197.234 1.950 10 0 ADAEMM CC(C)(C)c1coc(CN)c1C(=O)[O-] 675051931 538447724 /nfs/dbraw/zinc/44/77/24/538447724.db2.gz XXMJTNQDRIKOAK-UHFFFAOYSA-N -1 1 197.234 1.734 10 0 ADAEMM NCc1occ(C(F)F)c1C(=O)[O-] 675051199 538447845 /nfs/dbraw/zinc/44/78/45/538447845.db2.gz DMJAEMYGVFJCBR-UHFFFAOYSA-N -1 1 191.133 1.374 10 0 ADAEMM CCCc1c(C)[n-]n(C)c1=O 675052869 538447966 /nfs/dbraw/zinc/44/79/66/538447966.db2.gz BZFFBWPDRWIPIO-UHFFFAOYSA-N -1 1 154.213 1.387 10 0 ADAEMM Cc1[n-]n(C)c(=O)c1CC(C)C 675053761 538448118 /nfs/dbraw/zinc/44/81/18/538448118.db2.gz KSKMIWJMDYDFRO-UHFFFAOYSA-N -1 1 168.240 1.633 10 0 ADAEMM CCCCc1c(C)[n-]n(C)c1=O 675055051 538448487 /nfs/dbraw/zinc/44/84/87/538448487.db2.gz YAEITYOCWWLNHT-UHFFFAOYSA-N -1 1 168.240 1.777 10 0 ADAEMM Cc1cc2[nH]ncc2cc1[S@](=O)[O-] 675062290 538449762 /nfs/dbraw/zinc/44/97/62/538449762.db2.gz 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757282799 /nfs/dbraw/zinc/28/27/99/757282799.db2.gz URNOCRSSZAZCOA-ZZXKWVIFSA-N -1 1 195.199 1.604 10 0 ADAEMM CC(C)(C)NCc1nc(C(=O)[O-])co1 71507699 572165322 /nfs/dbraw/zinc/16/53/22/572165322.db2.gz ALGFZZWQRMNXLQ-UHFFFAOYSA-N -1 1 198.222 1.261 10 0 ADAEMM C[C@H]1OCc2cc([O-])ccc2C1=O 34479548 572086140 /nfs/dbraw/zinc/08/61/40/572086140.db2.gz ASGSBHQEJPVUPS-ZCFIWIBFSA-N -1 1 178.187 1.494 10 0 ADAEMM O=Nc1c([O-])cccc1O 34498280 572088202 /nfs/dbraw/zinc/08/82/02/572088202.db2.gz VBIXSHPPIPNDLW-UHFFFAOYSA-N -1 1 139.110 1.496 10 0 ADAEMM CN1CCc2sc(C(=O)[O-])cc2C1 20216350 572209943 /nfs/dbraw/zinc/20/99/43/572209943.db2.gz OAGKJKSEAGVECC-UHFFFAOYSA-N -1 1 197.259 1.434 10 0 ADAEMM C[C@@H](C(=O)[O-])N(C)[C@@H](C)c1ccoc1 87307842 572414569 /nfs/dbraw/zinc/41/45/69/572414569.db2.gz VDGYKHQMQGLLHV-YUMQZZPRSA-N -1 1 197.234 1.746 10 0 ADAEMM CC[C@H](C)[C@H](N)c1nc(C(=O)[O-])co1 238267822 572493707 /nfs/dbraw/zinc/49/37/07/572493707.db2.gz SONHSDNEYNWXII-FSPLSTOPSA-N -1 1 198.222 1.419 10 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/nfs/dbraw/zinc/12/83/85/573128385.db2.gz SFPARLKJSZXOHE-UHFFFAOYSA-N -1 1 183.594 1.540 10 0 ADAEMM CC[C@@H]1SC(C)(C)N[C@H]1C(=O)[O-] 238292972 573157004 /nfs/dbraw/zinc/15/70/04/573157004.db2.gz WQDNYRRYUGETBO-NTSWFWBYSA-N -1 1 189.280 1.291 10 0 ADAEMM CC[C@@H](C(=O)[O-])c1n[nH]c2c1CCC2 107291150 573157120 /nfs/dbraw/zinc/15/71/20/573157120.db2.gz SMDSFCLJXXLJMW-ZCFIWIBFSA-N -1 1 194.234 1.477 10 0 ADAEMM CNC(=O)Cc1ccc([O-])c(Cl)c1 1141364961 757989575 /nfs/dbraw/zinc/98/95/75/757989575.db2.gz HAUODKVTNRTPID-UHFFFAOYSA-N -1 1 199.637 1.334 10 0 ADAEMM Cc1cc(O)c(C(=O)C(=O)[O-])cc1F 257962634 573189128 /nfs/dbraw/zinc/18/91/28/573189128.db2.gz BYNCWYGRUDPPLN-UHFFFAOYSA-N -1 1 198.149 1.107 10 0 ADAEMM CC(C)Cc1nc2c([O-])cccn2n1 257969058 573202509 /nfs/dbraw/zinc/20/25/09/573202509.db2.gz MSEHSIZLPKXGBJ-UHFFFAOYSA-N -1 1 191.234 1.633 10 0 ADAEMM CONCc1ccc([O-])c(F)c1F 257965067 573208251 /nfs/dbraw/zinc/20/82/51/573208251.db2.gz CFMVLTZRCZVWMI-UHFFFAOYSA-N -1 1 189.161 1.321 10 0 ADAEMM CCSc1nc(C=O)c(C)c(=O)[n-]1 238307519 573214329 /nfs/dbraw/zinc/21/43/29/573214329.db2.gz ADMOPWZLQPFNSZ-UHFFFAOYSA-N -1 1 198.247 1.003 10 0 ADAEMM CCC(=N)SCC(=O)[O-] 104726014 573218368 /nfs/dbraw/zinc/21/83/68/573218368.db2.gz UHVKYLILQFYVRY-UHFFFAOYSA-N -1 1 147.199 1.191 10 0 ADAEMM Cc1ncc(C(=O)[O-])n1CC(C)C 77601761 573218516 /nfs/dbraw/zinc/21/85/16/573218516.db2.gz CREJQGGTZSFATN-UHFFFAOYSA-N -1 1 182.223 1.546 10 0 ADAEMM CC(C)(C)c1oncc1[C@@H](N)C(=O)[O-] 107188671 573223868 /nfs/dbraw/zinc/22/38/68/573223868.db2.gz FRVJPXDJAPRZHH-ZCFIWIBFSA-N -1 1 198.222 1.057 10 0 ADAEMM CCCC/C(C)=C1/NC(=S)[N-]C1=O 105008462 573238922 /nfs/dbraw/zinc/23/89/22/573238922.db2.gz JGQOVOXBPJASEM-VOTSOKGWSA-N -1 1 198.291 1.455 10 0 ADAEMM CCCc1cc([C@@H](C)C(=O)[O-])n[nH]1 257977048 573240569 /nfs/dbraw/zinc/24/05/69/573240569.db2.gz ZGSVJMITVWVFEI-ZCFIWIBFSA-N -1 1 182.223 1.550 10 0 ADAEMM CNc1nc2n[nH]cc2c(=S)[n-]1 238324348 573240657 /nfs/dbraw/zinc/24/06/57/573240657.db2.gz PUPSZWCQIYWNFF-UHFFFAOYSA-N -1 1 181.224 1.057 10 0 ADAEMM CC[C@H]1C[C@H](CC)C([O-])=CC1=O 238324037 573240901 /nfs/dbraw/zinc/24/09/01/573240901.db2.gz RQSHLEAUNOMULM-YUMQZZPRSA-N -1 1 168.236 1.971 10 0 ADAEMM COC(C)(C)c1nc(C)c(C)c(=O)[n-]1 86071201 573242039 /nfs/dbraw/zinc/24/20/39/573242039.db2.gz QLWSNBNKJGRTME-UHFFFAOYSA-N -1 1 196.250 1.268 10 0 ADAEMM O=c1c2c([n-]n1C1CCC1)CCC2 257977027 573242703 /nfs/dbraw/zinc/24/27/03/573242703.db2.gz ZFWJVSQDSGSABU-UHFFFAOYSA-N -1 1 178.235 1.802 10 0 ADAEMM Cc1cc([O-])c(Cl)c(CON)c1 257977008 573242996 /nfs/dbraw/zinc/24/29/96/573242996.db2.gz DIAJIHXACASOKY-UHFFFAOYSA-N -1 1 187.626 1.744 10 0 ADAEMM CCc1cc(=O)[n-]c(C(C)(C)OC)n1 86071194 573243735 /nfs/dbraw/zinc/24/37/35/573243735.db2.gz IFVCMWOFKOSNLZ-UHFFFAOYSA-N -1 1 196.250 1.214 10 0 ADAEMM CCC(C(=O)OC)=C([O-])c1ccc[nH]1 259049989 573246869 /nfs/dbraw/zinc/24/68/69/573246869.db2.gz DSTBKCGKYAGFFX-ZETCQYMHSA-N -1 1 195.218 1.397 10 0 ADAEMM [O-]c1ccc(CNO)cc1Cl 82868164 573250962 /nfs/dbraw/zinc/25/09/62/573250962.db2.gz HCRARXMTEQXPAL-UHFFFAOYSA-N -1 1 173.599 1.524 10 0 ADAEMM NC(=O)Nc1ccc(Cl)c([O-])c1 82879598 573253796 /nfs/dbraw/zinc/25/37/96/573253796.db2.gz VDWMPAXIELHTOM-UHFFFAOYSA-N -1 1 186.598 1.536 10 0 ADAEMM NC(=O)Nc1ccc([O-])c(Cl)c1 82879710 573255721 /nfs/dbraw/zinc/25/57/21/573255721.db2.gz UTINWYDPJFLMPG-UHFFFAOYSA-N -1 1 186.598 1.536 10 0 ADAEMM C[C@@H](C(=O)[O-])c1cc(C2CC2)[nH]n1 257981395 573257015 /nfs/dbraw/zinc/25/70/15/573257015.db2.gz ZSPQQJUQUXPSKU-RXMQYKEDSA-N -1 1 180.207 1.475 10 0 ADAEMM O=C([O-])[C@]1(c2ccco2)CCCCN1 257980212 573257134 /nfs/dbraw/zinc/25/71/34/573257134.db2.gz DZWGUNWVRALGFJ-SNVBAGLBSA-N -1 1 195.218 1.333 10 0 ADAEMM CC[C@H](O)C(=O)c1ccc([O-])cc1 142335141 573257708 /nfs/dbraw/zinc/25/77/08/573257708.db2.gz DLFAJNGUGADLTK-VIFPVBQESA-N -1 1 180.203 1.346 10 0 ADAEMM CC[C@@H](O)C(=O)c1ccc([O-])cc1 142335348 573257737 /nfs/dbraw/zinc/25/77/37/573257737.db2.gz DLFAJNGUGADLTK-SECBINFHSA-N -1 1 180.203 1.346 10 0 ADAEMM [O-]c1cc(-n2cnnc2)ccc1Cl 82888575 573259819 /nfs/dbraw/zinc/25/98/19/573259819.db2.gz BYNCDAWVUBDLAM-UHFFFAOYSA-N -1 1 195.609 1.626 10 0 ADAEMM O=CNc1ccc([O-])c(Cl)c1 82888577 573261302 /nfs/dbraw/zinc/26/13/02/573261302.db2.gz QRDBTSIOAFPMEL-UHFFFAOYSA-N -1 1 171.583 1.614 10 0 ADAEMM O=C([O-])[C@H]1CC[C@H](c2cscn2)N1 74238088 573270384 /nfs/dbraw/zinc/27/03/84/573270384.db2.gz NKEMLYYZSVHMBE-PHDIDXHHSA-N -1 1 198.247 1.021 10 0 ADAEMM O=C([O-])[C@H]1CC[C@@H](c2cscn2)N1 74238086 573270785 /nfs/dbraw/zinc/27/07/85/573270785.db2.gz NKEMLYYZSVHMBE-NTSWFWBYSA-N -1 1 198.247 1.021 10 0 ADAEMM Cc1nc2csc(CC(=O)[O-])c2[nH]1 74242267 573275792 /nfs/dbraw/zinc/27/57/92/573275792.db2.gz WVVJNILNZWUIJF-UHFFFAOYSA-N -1 1 196.231 1.560 10 0 ADAEMM CCn1[n-]c2c(c1=O)CCC2 116396842 573275884 /nfs/dbraw/zinc/27/58/84/573275884.db2.gz TWTGYNPPCIHDIA-UHFFFAOYSA-N -1 1 152.197 1.097 10 0 ADAEMM Cn1[n-]c2c(c1=O)CCCCC2 116396566 573279483 /nfs/dbraw/zinc/27/94/83/573279483.db2.gz 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/nfs/dbraw/zinc/28/15/80/573281580.db2.gz KQHYRZZDRQQTCB-UHFFFAOYSA-N -1 1 198.149 1.130 10 0 ADAEMM Cn1[n-]c(=O)c2cccc(F)c21 258620192 573281844 /nfs/dbraw/zinc/28/18/44/573281844.db2.gz WQKVYTQRFSCUNF-UHFFFAOYSA-N -1 1 166.155 1.006 10 0 ADAEMM O=C([O-])Cc1cc(C2CCCC2)[nH]n1 74246631 573286064 /nfs/dbraw/zinc/28/60/64/573286064.db2.gz BSAJSMGBXNLJHJ-UHFFFAOYSA-N -1 1 194.234 1.694 10 0 ADAEMM CCc1nc2c([nH]1)CC[C@@H](C(=O)[O-])C2 74246686 573286152 /nfs/dbraw/zinc/28/61/52/573286152.db2.gz XNZDKJYXRUSPHG-ZCFIWIBFSA-N -1 1 194.234 1.162 10 0 ADAEMM O=C([O-])Cc1ncc(C(F)(F)F)[nH]1 74247354 573286488 /nfs/dbraw/zinc/28/64/88/573286488.db2.gz SKSCEODPMBUUCD-UHFFFAOYSA-N -1 1 194.112 1.056 10 0 ADAEMM CC(C)(C)c1nc(CN)c(C(=O)[O-])o1 257993790 573290530 /nfs/dbraw/zinc/29/05/30/573290530.db2.gz DQNQEMFQAJRDPP-UHFFFAOYSA-N -1 1 198.222 1.129 10 0 ADAEMM NOCCc1ccc([O-])c(F)c1F 257994092 573290619 /nfs/dbraw/zinc/29/06/19/573290619.db2.gz FWJVQAHQYQDQHS-UHFFFAOYSA-N -1 1 189.161 1.103 10 0 ADAEMM Cc1ccc(/C=C(/N)C(=O)[O-])cc1F 223970894 573297021 /nfs/dbraw/zinc/29/70/21/573297021.db2.gz AWAKHRGKZBDXIM-WEVVVXLNSA-N -1 1 195.193 1.518 10 0 ADAEMM CCc1cc([O-])c(OC)cc1C=O 238335736 573297026 /nfs/dbraw/zinc/29/70/26/573297026.db2.gz UTYBCUBPPNHJJW-UHFFFAOYSA-N -1 1 180.203 1.776 10 0 ADAEMM C[C@@H](O)Cc1cc(F)c([O-])c(F)c1 257999011 573297988 /nfs/dbraw/zinc/29/79/88/573297988.db2.gz GHCZWNYEOKMWIS-RXMQYKEDSA-N -1 1 188.173 1.594 10 0 ADAEMM COc1cc(C(=O)[O-])c2nc[nH]c2c1 238346280 573310308 /nfs/dbraw/zinc/31/03/08/573310308.db2.gz NTDZNWOIRRFOAS-UHFFFAOYSA-N -1 1 192.174 1.270 10 0 ADAEMM COc1cncc([O-])c1C(F)F 238347032 573314086 /nfs/dbraw/zinc/31/40/86/573314086.db2.gz COFBEYLVTFHBBA-UHFFFAOYSA-N -1 1 175.134 1.733 10 0 ADAEMM NOCc1coc2c([O-])cccc12 258253779 573314420 /nfs/dbraw/zinc/31/44/20/573314420.db2.gz RNACXFKKSOXTBX-UHFFFAOYSA-N -1 1 179.175 1.529 10 0 ADAEMM Cc1ccc([C@](N)(C(=O)[O-])C(C)C)o1 106874208 573323772 /nfs/dbraw/zinc/32/37/72/573323772.db2.gz PGXYMAOCROLNFV-JTQLQIEISA-N -1 1 197.234 1.483 10 0 ADAEMM Cc1ccc([C@@](N)(C(=O)[O-])C(C)C)o1 106874210 573324100 /nfs/dbraw/zinc/32/41/00/573324100.db2.gz PGXYMAOCROLNFV-SNVBAGLBSA-N -1 1 197.234 1.483 10 0 ADAEMM CC(C)N1CCC[C@@H]1c1nc(=O)o[n-]1 258002959 573330983 /nfs/dbraw/zinc/33/09/83/573330983.db2.gz MHOOPDVWWXVSDR-SSDOTTSWSA-N -1 1 197.238 1.321 10 0 ADAEMM Cc1cc(=O)n(-c2ccncc2)[n-]1 117301016 573331094 /nfs/dbraw/zinc/33/10/94/573331094.db2.gz GREUOTCKLJAUPX-UHFFFAOYSA-N -1 1 175.191 1.281 10 0 ADAEMM C[C@H](O[P@](C)(=O)[O-])C(C)(C)CO 238464867 573337458 /nfs/dbraw/zinc/33/74/58/573337458.db2.gz ZWSOJPBFSPXJOB-LURJTMIESA-N -1 1 196.183 1.225 10 0 ADAEMM COC(=O)c1cc(F)c([O-])cc1O 238362678 573343552 /nfs/dbraw/zinc/34/35/52/573343552.db2.gz CTEVUNYFUPMDLQ-UHFFFAOYSA-N -1 1 186.138 1.024 10 0 ADAEMM NCc1nc(C2CCC2)oc1C(=O)[O-] 258290515 573347024 /nfs/dbraw/zinc/34/70/24/573347024.db2.gz RXMJQJAUCZMCEO-UHFFFAOYSA-N -1 1 196.206 1.099 10 0 ADAEMM CCc1cccc(/C=C(\N)C(=O)[O-])c1 308365011 573359431 /nfs/dbraw/zinc/35/94/31/573359431.db2.gz MFGHFSKWOYXXFN-YFHOEESVSA-N -1 1 191.230 1.633 10 0 ADAEMM CC(C)(C)c1nc2cccc([O-])n2n1 258014094 573373466 /nfs/dbraw/zinc/37/34/66/573373466.db2.gz RCPGAIGXQATELV-UHFFFAOYSA-N -1 1 191.234 1.732 10 0 ADAEMM CCCCn1[nH]cc(C(=O)[O-])c1=O 133074089 573374399 /nfs/dbraw/zinc/37/43/99/573374399.db2.gz JJRZBWGEVJZCRI-UHFFFAOYSA-N -1 1 184.195 1.087 10 0 ADAEMM CC(C)CCn1[nH]cc(C(=O)[O-])c1=O 133081426 573375008 /nfs/dbraw/zinc/37/50/08/573375008.db2.gz HUECCJDEPCTKNU-UHFFFAOYSA-N -1 1 198.222 1.333 10 0 ADAEMM C[C@@H](O)c1ccc(F)c([O-])c1F 238387835 573401274 /nfs/dbraw/zinc/40/12/74/573401274.db2.gz HIGGPMSBNBHHTF-SCSAIBSYSA-N -1 1 174.146 1.724 10 0 ADAEMM COc1cc([O-])c(C)c(C)c1C=O 238390040 573405141 /nfs/dbraw/zinc/40/51/41/573405141.db2.gz ZOPQTSSCGHIBGZ-UHFFFAOYSA-N -1 1 180.203 1.830 10 0 ADAEMM COC1=CC(=O)C(C(F)F)C(=O)N1 238389138 573405339 /nfs/dbraw/zinc/40/53/39/573405339.db2.gz QIPVKXUGFWNOSD-UHFFFAOYSA-N -1 1 191.133 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CCCCC[C@@H](C)Nc1nn[n-]n1 95277319 1423327680 /nfs/dbraw/zinc/32/76/80/1423327680.db2.gz JAHLJQYHOKMMBV-SSDOTTSWSA-N -1 1 183.259 1.580 10 0 ADAEMM C[C@H]1CC[C@H](Sc2nnn[n-]2)C1 306661420 1423347437 /nfs/dbraw/zinc/34/74/37/1423347437.db2.gz OCPIXUONGLWEIC-WDSKDSINSA-N -1 1 184.268 1.480 10 0 ADAEMM C1=C[C@H](Sc2nnn[n-]2)CCC1 306210481 1423357318 /nfs/dbraw/zinc/35/73/18/1423357318.db2.gz PAXHEHKUQXJTSJ-LURJTMIESA-N -1 1 182.252 1.401 10 0 ADAEMM Clc1ccc(Oc2nn[n-]n2)cc1 48547916 1423375924 /nfs/dbraw/zinc/37/59/24/1423375924.db2.gz FIPDALNPWLQCPP-UHFFFAOYSA-N -1 1 196.597 1.645 10 0 ADAEMM CCOC1(c2nnn[n-]2)CCCC1 159169011 1423377162 /nfs/dbraw/zinc/37/71/62/1423377162.db2.gz KKHMDPXVDOQAAK-UHFFFAOYSA-N -1 1 182.227 1.006 10 0 ADAEMM C1CCC(CSc2nnn[n-]2)C1 306281429 1423382268 /nfs/dbraw/zinc/38/22/68/1423382268.db2.gz WSTZJFJZTDPTQP-UHFFFAOYSA-N -1 1 184.268 1.482 10 0 ADAEMM c1cc(CCc2nn[n-]n2)cs1 69765059 1423396302 /nfs/dbraw/zinc/39/63/02/1423396302.db2.gz VMCYBUGCOUBHKF-UHFFFAOYSA-N -1 1 180.236 1.046 10 0 ADAEMM CC[C@@H](C)[C@@H](C)Nc1nn[n-]n1 95259401 1423397205 /nfs/dbraw/zinc/39/72/05/1423397205.db2.gz SMDXOUQSXIENEP-PHDIDXHHSA-N -1 1 169.232 1.046 10 0 ADAEMM Fc1ccc(Cc2nn[n-]n2)cc1F 95219372 1423406959 /nfs/dbraw/zinc/40/69/59/1423406959.db2.gz WZQIIWVCRIPCNZ-UHFFFAOYSA-N -1 1 196.160 1.069 10 0 ADAEMM C[C@@H]1CC[C@@H](Nc2nn[n-]n2)[C@H](C)C1 95253328 1423412728 /nfs/dbraw/zinc/41/27/28/1423412728.db2.gz PCAXEZDUQVDTKT-BWZBUEFSSA-N -1 1 195.270 1.436 10 0 ADAEMM CC[C@@H](F)CSc1nnn[n-]1 307641130 1423415418 /nfs/dbraw/zinc/41/54/18/1423415418.db2.gz IARWITPIKZPGFS-SCSAIBSYSA-N -1 1 176.220 1.040 10 0 ADAEMM C[C@@H]1CCCC[C@@H]1Nc1nn[n-]n1 95254913 1423416822 /nfs/dbraw/zinc/41/68/22/1423416822.db2.gz CGFSCZHCUPTRFK-RQJHMYQMSA-N -1 1 181.243 1.190 10 0 ADAEMM Cc1ccc(Cc2nn[n-]n2)c(C)c1 58520709 1423429887 /nfs/dbraw/zinc/42/98/87/1423429887.db2.gz NKMTVEOKLHAOFH-UHFFFAOYSA-N -1 1 188.234 1.407 10 0 ADAEMM CCC1CCC(Nc2nn[n-]n2)CC1 95263640 1423450680 /nfs/dbraw/zinc/45/06/80/1423450680.db2.gz HXCKWBRVIRHUPL-UHFFFAOYSA-N -1 1 195.270 1.580 10 0 ADAEMM Cc1ccc(C)c(Nc2nn[n-]n2)c1 95212112 1423452326 /nfs/dbraw/zinc/45/23/26/1423452326.db2.gz SHFPZJWTCSRQHG-UHFFFAOYSA-N -1 1 189.222 1.560 10 0 ADAEMM C[C@H]1C[C@@H](C)C[C@H](c2nnn[n-]2)C1 252097638 1423469275 /nfs/dbraw/zinc/46/92/75/1423469275.db2.gz HZGQWHAEGPCOKP-JIGDXULJSA-N -1 1 180.255 1.739 10 0 ADAEMM CCC[C@@H](C)c1nnn[n-]1 95170523 1423474218 /nfs/dbraw/zinc/47/42/18/1423474218.db2.gz JKBVRQHRFLMQNV-RXMQYKEDSA-N -1 1 140.190 1.103 10 0 ADAEMM Fc1ccc(F)c(Cc2nn[n-]n2)c1 43458917 1423477313 /nfs/dbraw/zinc/47/73/13/1423477313.db2.gz OOENSYOIUSTUQZ-UHFFFAOYSA-N -1 1 196.160 1.069 10 0 ADAEMM Cc1cc(F)ccc1Nc1nn[n-]n1 95320282 1423483519 /nfs/dbraw/zinc/48/35/19/1423483519.db2.gz HOUQMXRIVGLGNI-UHFFFAOYSA-N -1 1 193.185 1.391 10 0 ADAEMM C1CCCC(Nc2nn[n-]n2)CCC1 95124510 1423487706 /nfs/dbraw/zinc/48/77/06/1423487706.db2.gz VZOUFZGUGHVRGE-UHFFFAOYSA-N -1 1 195.270 1.725 10 0 ADAEMM CN(CCC(C)(C)C)c1nn[n-]n1 693660483 1423488770 /nfs/dbraw/zinc/48/87/70/1423488770.db2.gz SBXDSWAKRFKIMT-UHFFFAOYSA-N -1 1 183.259 1.072 10 0 ADAEMM C[C@H]1CCC[C@@H](c2nnn[n-]2)C1 44977617 1423492492 /nfs/dbraw/zinc/49/24/92/1423492492.db2.gz IYLVWKDQQOWLHE-NKWVEPMBSA-N -1 1 166.228 1.493 10 0 ADAEMM CC(C)C(c1nnn[n-]1)C(C)C 98186880 1423496761 /nfs/dbraw/zinc/49/67/61/1423496761.db2.gz KFQCRXVIMGHDJX-UHFFFAOYSA-N -1 1 168.244 1.595 10 0 ADAEMM CC(C)C[C@H](C)Cc1nnn[n-]1 80867508 1423496923 /nfs/dbraw/zinc/49/69/23/1423496923.db2.gz ZEBGWPLNXHCZHR-ZETCQYMHSA-N -1 1 168.244 1.424 10 0 ADAEMM CCC[C@H]1CCCCN1c1nn[n-]n1 693705134 1423503691 /nfs/dbraw/zinc/50/36/91/1423503691.db2.gz VUPJUYTYGPADCK-QMMMGPOBSA-N -1 1 195.270 1.359 10 0 ADAEMM Cc1ccc(C)n1[C@H](C)c1nn[n-]n1 44932011 1423503926 /nfs/dbraw/zinc/50/39/26/1423503926.db2.gz BHBSBJVWUAFMKI-MRVPVSSYSA-N -1 1 191.238 1.227 10 0 ADAEMM CCC[C@@H](C)Cc1nnn[n-]1 51321497 1423509900 /nfs/dbraw/zinc/50/99/00/1423509900.db2.gz AIVIDGVYGYNSEY-ZCFIWIBFSA-N -1 1 154.217 1.178 10 0 ADAEMM Fc1ccc(F)c(Nc2nn[n-]n2)c1 95142166 1423511832 /nfs/dbraw/zinc/51/18/32/1423511832.db2.gz ZJMQRVKSFILKCM-UHFFFAOYSA-N -1 1 197.148 1.222 10 0 ADAEMM Fc1ccc(F)c([N-]c2nn[nH]n2)c1 95142166 1423511836 /nfs/dbraw/zinc/51/18/36/1423511836.db2.gz ZJMQRVKSFILKCM-UHFFFAOYSA-N -1 1 197.148 1.222 10 0 ADAEMM C[C@H](c1ccccc1)c1nn[n-]n1 95135309 1423512193 /nfs/dbraw/zinc/51/21/93/1423512193.db2.gz ULXBUFLMUIMSOT-SSDOTTSWSA-N -1 1 174.207 1.352 10 0 ADAEMM Cc1ccccc1NCc1nn[n-]n1 84451301 1423514828 /nfs/dbraw/zinc/51/48/28/1423514828.db2.gz GNOLZIXPPUDKNJ-UHFFFAOYSA-N -1 1 189.222 1.120 10 0 ADAEMM C[C@H]1CC[C@H](c2nnn[n-]2)C[C@@H]1C 82842198 1423515350 /nfs/dbraw/zinc/51/53/50/1423515350.db2.gz OMYPFRSHNMVLOI-FXQIFTODSA-N -1 1 180.255 1.739 10 0 ADAEMM CC1(C)CCC(Cc2nnn[n-]2)CC1 306243845 1423515837 /nfs/dbraw/zinc/51/58/37/1423515837.db2.gz MNFXYVCEPOUNFS-UHFFFAOYSA-N -1 1 194.282 1.959 10 0 ADAEMM C[C@@H]1CC[C@@H](Sc2nnn[n-]2)C1 306661418 1423516129 /nfs/dbraw/zinc/51/61/29/1423516129.db2.gz OCPIXUONGLWEIC-PHDIDXHHSA-N -1 1 184.268 1.480 10 0 ADAEMM CCC(CC)Cc1nnn[n-]1 95284926 1423533732 /nfs/dbraw/zinc/53/37/32/1423533732.db2.gz HBBIVFHZQPMHMS-UHFFFAOYSA-N -1 1 154.217 1.178 10 0 ADAEMM CCC(C)(C)CCNc1nn[n-]n1 686219332 1423536279 /nfs/dbraw/zinc/53/62/79/1423536279.db2.gz KBAKBRXTISDSLR-UHFFFAOYSA-N -1 1 183.259 1.438 10 0 ADAEMM C1=C[C@@H](Sc2nnn[n-]2)CCC1 306210483 1423542808 /nfs/dbraw/zinc/54/28/08/1423542808.db2.gz PAXHEHKUQXJTSJ-ZCFIWIBFSA-N -1 1 182.252 1.401 10 0 ADAEMM Fc1ccc(F)c(-c2nnn[n-]2)c1 71498976 1423543296 /nfs/dbraw/zinc/54/32/96/1423543296.db2.gz WHWUUHZBVFRVRC-UHFFFAOYSA-N -1 1 182.133 1.145 10 0 ADAEMM C[C@@H]1CCC[C@@H](Nc2nn[n-]n2)C1 95254234 1423547404 /nfs/dbraw/zinc/54/74/04/1423547404.db2.gz DTJZJUVHODEAQK-RNFRBKRXSA-N -1 1 181.243 1.190 10 0 ADAEMM CCCC[C@H](C)Nc1nn[n-]n1 95277229 1423549701 /nfs/dbraw/zinc/54/97/01/1423549701.db2.gz NENQYVFILWHWJF-LURJTMIESA-N -1 1 169.232 1.190 10 0 ADAEMM COC1(c2nnn[n-]2)CCC(C)CC1 159170005 1423556545 /nfs/dbraw/zinc/55/65/45/1423556545.db2.gz GPVBFXLBOPLBET-UHFFFAOYSA-N -1 1 196.254 1.252 10 0 ADAEMM Cc1ccc(Nc2nn[n-]n2)c(C)c1 95212022 1423557525 /nfs/dbraw/zinc/55/75/25/1423557525.db2.gz SVDNWTMWYQNCCQ-UHFFFAOYSA-N -1 1 189.222 1.560 10 0 ADAEMM Cc1cccc(-c2nnn[n-]2)c1F 95213922 1423559753 /nfs/dbraw/zinc/55/97/53/1423559753.db2.gz NPUAUIRCPNLEEF-UHFFFAOYSA-N -1 1 178.170 1.314 10 0 ADAEMM Fc1ccc(Cl)cc1-c1nnn[n-]1 52859410 1423562251 /nfs/dbraw/zinc/56/22/51/1423562251.db2.gz MTTOQVVDHYZDHE-UHFFFAOYSA-N -1 1 198.588 1.659 10 0 ADAEMM Cc1ccc(NCc2nn[n-]n2)cc1 84451304 1423589400 /nfs/dbraw/zinc/58/94/00/1423589400.db2.gz ZDJNKEWSAFMKMM-UHFFFAOYSA-N -1 1 189.222 1.120 10 0 ADAEMM C[C@@H]1C[C@@H](C)[C@@H](C)N(c2nn[n-]n2)C1 693730905 1423589624 /nfs/dbraw/zinc/58/96/24/1423589624.db2.gz RTSMQTOSHDBSOA-BWZBUEFSSA-N -1 1 195.270 1.071 10 0 ADAEMM C1CCC(CCNc2nn[n-]n2)CC1 95123725 1423593706 /nfs/dbraw/zinc/59/37/06/1423593706.db2.gz SDKYLKAPVQRRCL-UHFFFAOYSA-N -1 1 195.270 1.582 10 0 ADAEMM COC1(Cc2nnn[n-]2)CCCCC1 692440571 1423594262 /nfs/dbraw/zinc/59/42/62/1423594262.db2.gz FWACAHUFDQOUDI-UHFFFAOYSA-N -1 1 196.254 1.092 10 0 ADAEMM COC1(c2nnn[n-]2)CCCCC1 159166022 1423615740 /nfs/dbraw/zinc/61/57/40/1423615740.db2.gz LRXXUZIMEBLJLW-UHFFFAOYSA-N -1 1 182.227 1.006 10 0 ADAEMM CN(CC1CCCCC1)c1nn[n-]n1 693713619 1423617045 /nfs/dbraw/zinc/61/70/45/1423617045.db2.gz OIKWQSSAUKELMS-UHFFFAOYSA-N -1 1 195.270 1.216 10 0 ADAEMM CC(C)(C)CCc1nnn[n-]1 49255245 1423625265 /nfs/dbraw/zinc/62/52/65/1423625265.db2.gz NNRQUGNVXHHTGN-UHFFFAOYSA-N -1 1 154.217 1.178 10 0 ADAEMM C[C@H]1CC[C@@H](Sc2nnn[n-]2)C1 306661417 1423628902 /nfs/dbraw/zinc/62/89/02/1423628902.db2.gz OCPIXUONGLWEIC-NTSWFWBYSA-N -1 1 184.268 1.480 10 0 ADAEMM Cc1ccc(C)n1[C@@H](C)c1nn[n-]n1 44932009 1423639866 /nfs/dbraw/zinc/63/98/66/1423639866.db2.gz BHBSBJVWUAFMKI-QMMMGPOBSA-N -1 1 191.238 1.227 10 0 ADAEMM CCC[C@@H](C)Sc1nnn[n-]1 95170639 1423641476 /nfs/dbraw/zinc/64/14/76/1423641476.db2.gz GEGFMEGGESWCIR-RXMQYKEDSA-N -1 1 172.257 1.480 10 0 ADAEMM c1ccc2nc(-c3nnn[n-]3)ccc2c1 63075216 1423642009 /nfs/dbraw/zinc/64/20/09/1423642009.db2.gz JTVTWLHBQOLJGZ-UHFFFAOYSA-N -1 1 197.201 1.415 10 0 ADAEMM CC(C)(C)SCc1nnn[n-]1 83489949 1423642157 /nfs/dbraw/zinc/64/21/57/1423642157.db2.gz CTGMFYIXRQPCOH-UHFFFAOYSA-N -1 1 172.257 1.231 10 0 ADAEMM Cc1ccccc1CCc1nn[n-]n1 41204165 1423647220 /nfs/dbraw/zinc/64/72/20/1423647220.db2.gz WQKFRILLEMSALO-UHFFFAOYSA-N -1 1 188.234 1.293 10 0 ADAEMM Oc1ccc(N=Nc2nn[n-]n2)cc1 5344388 1423651406 /nfs/dbraw/zinc/65/14/06/1423651406.db2.gz AXAVNQIBIFYOAO-CMDGGOBGSA-N -1 1 190.166 1.321 10 0 ADAEMM C[C@H]1CCC[C@H](Nc2nn[n-]n2)C1 95254233 1423654847 /nfs/dbraw/zinc/65/48/47/1423654847.db2.gz DTJZJUVHODEAQK-BQBZGAKWSA-N -1 1 181.243 1.190 10 0 ADAEMM CC(C)CCCc1nnn[n-]1 95149668 1423657640 /nfs/dbraw/zinc/65/76/40/1423657640.db2.gz VBHZFOJPJRENGE-UHFFFAOYSA-N -1 1 154.217 1.178 10 0 ADAEMM Nc1cc(-c2nnn[n-]2)ccc1Cl 82530975 1423658379 /nfs/dbraw/zinc/65/83/79/1423658379.db2.gz UNNASRAFQFFILA-UHFFFAOYSA-N -1 1 195.613 1.102 10 0 ADAEMM Fc1ccc(-c2nnn[n-]2)cc1Cl 62790648 1423660607 /nfs/dbraw/zinc/66/06/07/1423660607.db2.gz HTVYWKMEFLTJDF-UHFFFAOYSA-N -1 1 198.588 1.659 10 0 ADAEMM CC[C@@H](C)SCc1nnn[n-]1 83497993 1423662319 /nfs/dbraw/zinc/66/23/19/1423662319.db2.gz PLTRNEZYUIYMAK-RXMQYKEDSA-N -1 1 172.257 1.231 10 0 ADAEMM C1CCC(Sc2nnn[n-]2)C1 95126052 1423665437 /nfs/dbraw/zinc/66/54/37/1423665437.db2.gz YUKLHCKBDGBQAD-UHFFFAOYSA-N -1 1 170.241 1.234 10 0 ADAEMM C[C@@H]1CCC[C@H](Cc2nnn[n-]2)C1 306377812 1423665649 /nfs/dbraw/zinc/66/56/49/1423665649.db2.gz LVMKMQNYXKJANC-SFYZADRCSA-N -1 1 180.255 1.569 10 0 ADAEMM C[C@@H](Sc1nnn[n-]1)C(F)(F)F 306290037 1423671138 /nfs/dbraw/zinc/67/11/38/1423671138.db2.gz OTIZUNIEBYVJSF-UWTATZPHSA-N -1 1 198.173 1.243 10 0 ADAEMM CC[C@@H]1CCCC[C@@H]1c1nnn[n-]1 82657884 1423672676 /nfs/dbraw/zinc/67/26/76/1423672676.db2.gz KABFDUCYRHJSQP-SFYZADRCSA-N -1 1 180.255 1.884 10 0 ADAEMM Fc1ccccc1Nc1nn[n-]n1 95237736 1423674259 /nfs/dbraw/zinc/67/42/59/1423674259.db2.gz POFFICIYHIJKNB-UHFFFAOYSA-N -1 1 179.158 1.082 10 0 ADAEMM CC(C)CCCCCc1nnn[n-]1 95206788 1423676797 /nfs/dbraw/zinc/67/67/97/1423676797.db2.gz PODVDYZDUBHCJY-UHFFFAOYSA-N -1 1 182.271 1.959 10 0 ADAEMM FC1(F)CC[C@H](c2nnn[n-]2)C1 300742438 1423679464 /nfs/dbraw/zinc/67/94/64/1423679464.db2.gz BHLTVZKHFBDTHT-BYPYZUCNSA-N -1 1 174.154 1.103 10 0 ADAEMM C[C@H]1CC(c2nnn[n-]2)C[C@H](C)C1 82832847 1423686511 /nfs/dbraw/zinc/68/65/11/1423686511.db2.gz HZGQWHAEGPCOKP-RNFRBKRXSA-N -1 1 180.255 1.739 10 0 ADAEMM C[C@@H](Nc1nn[n-]n1)C1CCCCC1 95221895 1423687118 /nfs/dbraw/zinc/68/71/18/1423687118.db2.gz MHXSCXDLGSBUHP-SSDOTTSWSA-N -1 1 195.270 1.580 10 0 ADAEMM C1CCCC(c2nnn[n-]2)CC1 78224021 1423688819 /nfs/dbraw/zinc/68/88/19/1423688819.db2.gz HSIMHWFCYNIHSH-UHFFFAOYSA-N -1 1 166.228 1.638 10 0 ADAEMM CCCCCCNc1nn[n-]n1 95288738 1423698623 /nfs/dbraw/zinc/69/86/23/1423698623.db2.gz CEUABWKNOZIWLF-UHFFFAOYSA-N -1 1 169.232 1.192 10 0 ADAEMM C[C@@H]1CC[C@@H](c2nnn[n-]2)C1 83781244 1423703743 /nfs/dbraw/zinc/70/37/43/1423703743.db2.gz QCGDJMYJKQBOSN-PHDIDXHHSA-N -1 1 152.201 1.103 10 0 ADAEMM C[C@@H](Nc1nn[n-]n1)c1ccsc1 95230621 1423706254 /nfs/dbraw/zinc/70/62/54/1423706254.db2.gz VXMRKMKBRGHFOL-RXMQYKEDSA-N -1 1 195.251 1.434 10 0 ADAEMM COc1ccc(C)cc1-c1nnn[n-]1 71500594 1423710783 /nfs/dbraw/zinc/71/07/83/1423710783.db2.gz UWOXVRHYZUCUHE-UHFFFAOYSA-N -1 1 190.206 1.184 10 0 ADAEMM C1=C(c2nn[n-]n2)CCCC1 95125497 1423711269 /nfs/dbraw/zinc/71/12/69/1423711269.db2.gz ZSZGCKRTKPYEFY-UHFFFAOYSA-N -1 1 150.185 1.157 10 0 ADAEMM CCc1cccc(Nc2nn[n-]n2)c1 95177927 1423713354 /nfs/dbraw/zinc/71/33/54/1423713354.db2.gz GLSKKKWNUHGUSA-UHFFFAOYSA-N -1 1 189.222 1.506 10 0 ADAEMM CCCCCCc1nnn[n-]1 20519843 1423714422 /nfs/dbraw/zinc/71/44/22/1423714422.db2.gz FJRPBODWQHUFGR-UHFFFAOYSA-N -1 1 154.217 1.323 10 0 ADAEMM FC1(F)CC[C@@H](c2nnn[n-]2)C1 300742439 1423723330 /nfs/dbraw/zinc/72/33/30/1423723330.db2.gz BHLTVZKHFBDTHT-SCSAIBSYSA-N -1 1 174.154 1.103 10 0 ADAEMM C(COC1CCCC1)Cc1nnn[n-]1 95124751 1423729067 /nfs/dbraw/zinc/72/90/67/1423729067.db2.gz QOGKYYCWFOVPTL-UHFFFAOYSA-N -1 1 196.254 1.092 10 0 ADAEMM CCOC1(c2nnn[n-]2)CCCCC1 159167761 1423725136 /nfs/dbraw/zinc/72/51/36/1423725136.db2.gz KXJISGHSDLVIGT-UHFFFAOYSA-N -1 1 196.254 1.396 10 0 ADAEMM Cc1sc(N)c(-c2nn[n-]n2)c1C 34224654 1423730168 /nfs/dbraw/zinc/73/01/68/1423730168.db2.gz QJLZWXFOONWBQK-UHFFFAOYSA-N -1 1 195.251 1.127 10 0 ADAEMM C[C@H]1CCC[C@H](c2nnn[n-]2)C1 44977612 1423731997 /nfs/dbraw/zinc/73/19/97/1423731997.db2.gz IYLVWKDQQOWLHE-BQBZGAKWSA-N -1 1 166.228 1.493 10 0 ADAEMM Fc1c(Cl)cccc1-c1nnn[n-]1 62606381 1423737314 /nfs/dbraw/zinc/73/73/14/1423737314.db2.gz ZIXQHIRFZLCQEN-UHFFFAOYSA-N -1 1 198.588 1.659 10 0 ADAEMM C1CCC(SCCc2nnn[n-]2)C1 95123271 1423740386 /nfs/dbraw/zinc/74/03/86/1423740386.db2.gz YJAQKWOLJBJVMP-UHFFFAOYSA-N -1 1 198.295 1.418 10 0 ADAEMM CC[C@@H]1CCCC[C@H]1c1nnn[n-]1 82657886 1423740473 /nfs/dbraw/zinc/74/04/73/1423740473.db2.gz KABFDUCYRHJSQP-HTQZYQBOSA-N -1 1 180.255 1.884 10 0 ADAEMM CC[C@@H]1CC[C@H](c2nnn[n-]2)C1 83791495 1423740540 /nfs/dbraw/zinc/74/05/40/1423740540.db2.gz DELFNDPOQDOPCZ-RQJHMYQMSA-N -1 1 166.228 1.493 10 0 ADAEMM C[C@@H](F)CCSc1nnn[n-]1 307608474 1423741323 /nfs/dbraw/zinc/74/13/23/1423741323.db2.gz DGABTYGYBAQTRK-SCSAIBSYSA-N -1 1 176.220 1.040 10 0 ADAEMM CC[C@H](C)CSc1nnn[n-]1 307637719 1423744422 /nfs/dbraw/zinc/74/44/22/1423744422.db2.gz XEVKFKCQAQPCFN-YFKPBYRVSA-N -1 1 172.257 1.338 10 0 ADAEMM C[C@@H](Cc1nnn[n-]1)C1CCCCC1 95239353 1423745003 /nfs/dbraw/zinc/74/50/03/1423745003.db2.gz JKFCSVZUKLSHPM-QMMMGPOBSA-N -1 1 194.282 1.959 10 0 ADAEMM C[C@H](Cc1nnn[n-]1)C1CCCCC1 95239354 1423745091 /nfs/dbraw/zinc/74/50/91/1423745091.db2.gz JKFCSVZUKLSHPM-MRVPVSSYSA-N -1 1 194.282 1.959 10 0 ADAEMM CCC(CC)[C@H](C)Nc1nn[n-]n1 693753714 1423749966 /nfs/dbraw/zinc/74/99/66/1423749966.db2.gz VIGJHWHMJYWFFJ-LURJTMIESA-N -1 1 183.259 1.436 10 0 ADAEMM CCC[C@@H](OCC)c1nnn[n-]1 131028192 1423751487 /nfs/dbraw/zinc/75/14/87/1423751487.db2.gz FVAULYVNRGRBMP-ZCFIWIBFSA-N -1 1 170.216 1.077 10 0 ADAEMM C1CC1C(c1nnn[n-]1)C1CC1 95122651 1423754885 /nfs/dbraw/zinc/75/48/85/1423754885.db2.gz DBGXMMIQHWYSPE-UHFFFAOYSA-N -1 1 164.212 1.103 10 0 ADAEMM C[C@H]1CCC[C@H](CNc2nn[n-]n2)C1 693691203 1423756281 /nfs/dbraw/zinc/75/62/81/1423756281.db2.gz ASQMOFNUBUEJRM-YUMQZZPRSA-N -1 1 195.270 1.438 10 0 ADAEMM CC(C)CC[C@H](C)Nc1nn[n-]n1 95225151 1423759978 /nfs/dbraw/zinc/75/99/78/1423759978.db2.gz SJVOPFNDXDYUOD-ZETCQYMHSA-N -1 1 183.259 1.436 10 0 ADAEMM CC[C@H]1CCC[C@H](c2nnn[n-]2)C1 70565351 1423761432 /nfs/dbraw/zinc/76/14/32/1423761432.db2.gz WZMPPWBYYYEGNC-YUMQZZPRSA-N -1 1 180.255 1.884 10 0 ADAEMM CCC1(Cc2nnn[n-]2)CCC1 306415417 1423762329 /nfs/dbraw/zinc/76/23/29/1423762329.db2.gz PPDFNZHBFTTXRZ-UHFFFAOYSA-N -1 1 166.228 1.323 10 0 ADAEMM CC[C@@H]1CCCC[C@@H]1Nc1nn[n-]n1 95263976 1423764190 /nfs/dbraw/zinc/76/41/90/1423764190.db2.gz FAGGFDBORKQIMX-SFYZADRCSA-N -1 1 195.270 1.580 10 0 ADAEMM CC(=O)c1ccc(-c2nnn[n-]2)cc1 9606073 1423764349 /nfs/dbraw/zinc/76/43/49/1423764349.db2.gz QXMXYILXMWRJIZ-UHFFFAOYSA-N -1 1 188.190 1.069 10 0 ADAEMM Oc1cccc(Cl)c1-c1nn[n-]n1 95218425 1423771099 /nfs/dbraw/zinc/77/10/99/1423771099.db2.gz JJQVTJGQVLOUSJ-UHFFFAOYSA-N -1 1 196.597 1.226 10 0 ADAEMM C(CSc1nnn[n-]1)=C1CCC1 307443992 1423774151 /nfs/dbraw/zinc/77/41/51/1423774151.db2.gz BMHJIQWJDDSEGU-UHFFFAOYSA-N -1 1 182.252 1.402 10 0 ADAEMM Cc1ccccc1Nc1nn[n-]n1 95344456 1423777525 /nfs/dbraw/zinc/77/75/25/1423777525.db2.gz WPKGSSARRYKOLX-UHFFFAOYSA-N -1 1 175.195 1.252 10 0 ADAEMM Cc1cc(C)cc(Cc2nn[n-]n2)c1 38076917 1423782596 /nfs/dbraw/zinc/78/25/96/1423782596.db2.gz NWAMERKHWYDUPP-UHFFFAOYSA-N -1 1 188.234 1.407 10 0 ADAEMM C[C@H]1CCC[C@@H](Sc2nnn[n-]2)C1 307678018 1423783733 /nfs/dbraw/zinc/78/37/33/1423783733.db2.gz JUKHERSEFYHJGC-NKWVEPMBSA-N -1 1 198.295 1.871 10 0 ADAEMM c1ccc2c(c1)CC[C@@H]2c1nn[n-]n1 83791507 1423790741 /nfs/dbraw/zinc/79/07/41/1423790741.db2.gz KOFCMWBKHFOHPL-VIFPVBQESA-N -1 1 186.218 1.278 10 0 ADAEMM CC[C@@H](C)[C@H](C)Nc1nn[n-]n1 95259403 1423791575 /nfs/dbraw/zinc/79/15/75/1423791575.db2.gz SMDXOUQSXIENEP-RITPCOANSA-N -1 1 169.232 1.046 10 0 ADAEMM CC1(C)CCC[C@@H]1Sc1nnn[n-]1 306657303 1423793651 /nfs/dbraw/zinc/79/36/51/1423793651.db2.gz HTUIPGSPBVJFHA-LURJTMIESA-N -1 1 198.295 1.871 10 0 ADAEMM Nc1ccc(-c2nnn[n-]2)cc1Cl 95218954 1423793696 /nfs/dbraw/zinc/79/36/96/1423793696.db2.gz RPMRTLZAHHYGOO-UHFFFAOYSA-N -1 1 195.613 1.102 10 0 ADAEMM Cc1ccc(-c2nnn[n-]2)cc1F 20074805 1423795112 /nfs/dbraw/zinc/79/51/12/1423795112.db2.gz WEXGKGKQANHEAD-UHFFFAOYSA-N -1 1 178.170 1.314 10 0 ADAEMM c1ccc2oc(-c3nnn[n-]3)nc2c1 95251081 1423795511 /nfs/dbraw/zinc/79/55/11/1423795511.db2.gz IRJGGUMHRIDEKV-UHFFFAOYSA-N -1 1 187.162 1.008 10 0 ADAEMM C[C@@H]1CCC[C@@H]1c1nnn[n-]1 95266876 1423802007 /nfs/dbraw/zinc/80/20/07/1423802007.db2.gz PLSGXHWUUAKQSF-RITPCOANSA-N -1 1 152.201 1.103 10 0 ADAEMM CCCC[C@@H](CC)Cc1nnn[n-]1 43455539 1423811392 /nfs/dbraw/zinc/81/13/92/1423811392.db2.gz JUBSYYLXEAGMCB-MRVPVSSYSA-N -1 1 182.271 1.959 10 0 ADAEMM CC[C@H]1CCCC[C@@H]1c1nnn[n-]1 82657885 1423811749 /nfs/dbraw/zinc/81/17/49/1423811749.db2.gz KABFDUCYRHJSQP-YUMQZZPRSA-N -1 1 180.255 1.884 10 0 ADAEMM C[C@H]1CCCC[C@@H]1c1nnn[n-]1 95160423 1423814798 /nfs/dbraw/zinc/81/47/98/1423814798.db2.gz PQWFVMICGZQVEK-BQBZGAKWSA-N -1 1 166.228 1.493 10 0 ADAEMM C[C@H](F)CCSc1nnn[n-]1 307608473 1423822876 /nfs/dbraw/zinc/82/28/76/1423822876.db2.gz DGABTYGYBAQTRK-BYPYZUCNSA-N -1 1 176.220 1.040 10 0 ADAEMM C[C@@H]1CCCC[C@@H]1CNc1nn[n-]n1 95254869 1423825458 /nfs/dbraw/zinc/82/54/58/1423825458.db2.gz FCFLSJDCYGKHCN-HTQZYQBOSA-N -1 1 195.270 1.438 10 0 ADAEMM Fc1ccc(-c2nnn[n-]2)cc1F 36888218 1423827781 /nfs/dbraw/zinc/82/77/81/1423827781.db2.gz OPJVXMFUPHECKZ-UHFFFAOYSA-N -1 1 182.133 1.145 10 0 ADAEMM Oc1cc(Cl)cc(-c2nn[n-]n2)c1 95217477 1423837402 /nfs/dbraw/zinc/83/74/02/1423837402.db2.gz JHQDPDIPOHUTTC-UHFFFAOYSA-N -1 1 196.597 1.226 10 0 ADAEMM C[C@@H]1CCCC[C@H]1CNc1nn[n-]n1 95254871 1423841946 /nfs/dbraw/zinc/84/19/46/1423841946.db2.gz FCFLSJDCYGKHCN-SFYZADRCSA-N -1 1 195.270 1.438 10 0 ADAEMM CC[C@@H]1CCCC[C@H]1Nc1nn[n-]n1 95263978 1423849461 /nfs/dbraw/zinc/84/94/61/1423849461.db2.gz FAGGFDBORKQIMX-HTQZYQBOSA-N -1 1 195.270 1.580 10 0 ADAEMM Fc1ccc(Nc2nn[n-]n2)cc1 95234469 1423855585 /nfs/dbraw/zinc/85/55/85/1423855585.db2.gz DEYQPTVNHAJRSL-UHFFFAOYSA-N -1 1 179.158 1.082 10 0 ADAEMM FC1(F)CC[C@@H](Cc2nnn[n-]2)C1 300866809 1423866189 /nfs/dbraw/zinc/86/61/89/1423866189.db2.gz LIJLSIVGZSPRMI-YFKPBYRVSA-N -1 1 188.181 1.178 10 0 ADAEMM CC[C@H](C)Sc1nnn[n-]1 95162552 1423866554 /nfs/dbraw/zinc/86/65/54/1423866554.db2.gz NIHSVGRFKZHRPB-BYPYZUCNSA-N -1 1 158.230 1.090 10 0 ADAEMM C1CCC(CNc2nn[n-]n2)CC1 83340631 1423867245 /nfs/dbraw/zinc/86/72/45/1423867245.db2.gz KGYSURPTMNZJKH-UHFFFAOYSA-N -1 1 181.243 1.192 10 0 ADAEMM CC(N=Nc1nnn[n-]1)C(C)(C)C 252614217 1423868007 /nfs/dbraw/zinc/86/80/07/1423868007.db2.gz JGZOEPSSKRVIEO-UHFFFAOYSA-N -1 1 182.231 1.034 10 0 ADAEMM Fc1ccc(Nc2nn[n-]n2)cc1F 95219787 1423869136 /nfs/dbraw/zinc/86/91/36/1423869136.db2.gz USYJQHICFBHPBW-UHFFFAOYSA-N -1 1 197.148 1.222 10 0 ADAEMM C[C@@H]1CC[C@@H](c2nnn[n-]2)C[C@H]1C 251845255 1423871817 /nfs/dbraw/zinc/87/18/17/1423871817.db2.gz OMYPFRSHNMVLOI-BWZBUEFSSA-N -1 1 180.255 1.739 10 0 ADAEMM C[C@H]1C[C@@H](c2nnn[n-]2)CC[C@H]1C 82842196 1423876276 /nfs/dbraw/zinc/87/62/76/1423876276.db2.gz OMYPFRSHNMVLOI-CSMHCCOUSA-N -1 1 180.255 1.739 10 0 ADAEMM Cc1cc(F)ccc1-c1nnn[n-]1 88123851 1423877373 /nfs/dbraw/zinc/87/73/73/1423877373.db2.gz YJUKXIVNLLMGKH-UHFFFAOYSA-N -1 1 178.170 1.314 10 0 ADAEMM C1=CC[C@@H](c2nnn[n-]2)CC1 95123958 1423881311 /nfs/dbraw/zinc/88/13/11/1423881311.db2.gz UAKPBKOWFPKLMN-ZCFIWIBFSA-N -1 1 150.185 1.023 10 0 ADAEMM Cc1ccc(Nc2nn[n-]n2)cc1C 95212860 1423893008 /nfs/dbraw/zinc/89/30/08/1423893008.db2.gz DNXPVELFPFOCFW-UHFFFAOYSA-N -1 1 189.222 1.560 10 0 ADAEMM CCOC(CC)(CC)c1nnn[n-]1 159166473 1423906883 /nfs/dbraw/zinc/90/68/83/1423906883.db2.gz CNIGQBOHEYEGJR-UHFFFAOYSA-N -1 1 184.243 1.252 10 0 ADAEMM CCC(C)(C)CNc1nn[n-]n1 306518182 1423914484 /nfs/dbraw/zinc/91/44/84/1423914484.db2.gz BELBMUMTOVVOIQ-UHFFFAOYSA-N -1 1 169.232 1.048 10 0 ADAEMM C[C@@H]1CCCC[C@@H]1c1nnn[n-]1 95160422 1423917283 /nfs/dbraw/zinc/91/72/83/1423917283.db2.gz PQWFVMICGZQVEK-RQJHMYQMSA-N -1 1 166.228 1.493 10 0 ADAEMM Cn1cc(-c2nnn[n-]2)c2ccccc21 71507816 1423919667 /nfs/dbraw/zinc/91/96/67/1423919667.db2.gz HINOXXDCAODWML-UHFFFAOYSA-N -1 1 199.217 1.358 10 0 ADAEMM C[C@H]1CCC[C@H](Sc2nnn[n-]2)C1 307678017 1423930355 /nfs/dbraw/zinc/93/03/55/1423930355.db2.gz JUKHERSEFYHJGC-BQBZGAKWSA-N -1 1 198.295 1.871 10 0 ADAEMM C[C@@H]1CCC[C@H]1c1nnn[n-]1 95266878 1423930505 /nfs/dbraw/zinc/93/05/05/1423930505.db2.gz PLSGXHWUUAKQSF-PHDIDXHHSA-N -1 1 152.201 1.103 10 0 ADAEMM c1ccc2c(c1)C[C@H]2Cc1nn[n-]n1 85574790 1423935680 /nfs/dbraw/zinc/93/56/80/1423935680.db2.gz MZXOISFDDUFMBF-QMMMGPOBSA-N -1 1 186.218 1.082 10 0 ADAEMM C[C@H]1CCCC[C@@H]1Nc1nn[n-]n1 95254914 1423941976 /nfs/dbraw/zinc/94/19/76/1423941976.db2.gz CGFSCZHCUPTRFK-BQBZGAKWSA-N -1 1 181.243 1.190 10 0 ADAEMM c1ccc2ncc(-c3nnn[n-]3)cc2c1 95250939 1423945145 /nfs/dbraw/zinc/94/51/45/1423945145.db2.gz NCTWQUYOOHAZLQ-UHFFFAOYSA-N -1 1 197.201 1.415 10 0 ADAEMM C[C@@H]1CCC[C@H](Nc2nn[n-]n2)C1 95254232 1423948190 /nfs/dbraw/zinc/94/81/90/1423948190.db2.gz DTJZJUVHODEAQK-RQJHMYQMSA-N -1 1 181.243 1.190 10 0 ADAEMM Cc1cccc(Cc2nn[n-]n2)c1 20077645 1423958467 /nfs/dbraw/zinc/95/84/67/1423958467.db2.gz LUDLNRKPZRIYSY-UHFFFAOYSA-N -1 1 174.207 1.099 10 0 ADAEMM C[C@@H](c1ccccc1)c1nn[n-]n1 95135307 1423958919 /nfs/dbraw/zinc/95/89/19/1423958919.db2.gz ULXBUFLMUIMSOT-ZETCQYMHSA-N -1 1 174.207 1.352 10 0 ADAEMM CC[C@H]1CC[C@H](c2nnn[n-]2)C1 83791497 1423964152 /nfs/dbraw/zinc/96/41/52/1423964152.db2.gz DELFNDPOQDOPCZ-BQBZGAKWSA-N -1 1 166.228 1.493 10 0 ADAEMM C[C@H](Nc1nn[n-]n1)c1ccsc1 95230620 1423968323 /nfs/dbraw/zinc/96/83/23/1423968323.db2.gz VXMRKMKBRGHFOL-YFKPBYRVSA-N -1 1 195.251 1.434 10 0 ADAEMM Cc1ccc(F)c(-c2nnn[n-]2)c1 95211919 1423968409 /nfs/dbraw/zinc/96/84/09/1423968409.db2.gz FQXGRWQQWUXCCU-UHFFFAOYSA-N -1 1 178.170 1.314 10 0 ADAEMM CC(C)C[C@@H](C)Cc1nnn[n-]1 80867499 1423971761 /nfs/dbraw/zinc/97/17/61/1423971761.db2.gz ZEBGWPLNXHCZHR-SSDOTTSWSA-N -1 1 168.244 1.424 10 0 ADAEMM Fc1ccc(CCc2nn[n-]n2)cc1 41205825 1423976913 /nfs/dbraw/zinc/97/69/13/1423976913.db2.gz FVNOZRJSNAADFO-UHFFFAOYSA-N -1 1 192.197 1.124 10 0 ADAEMM CC[C@H]1CCCC[C@H]1Nc1nn[n-]n1 95263979 1423978410 /nfs/dbraw/zinc/97/84/10/1423978410.db2.gz FAGGFDBORKQIMX-JGVFFNPUSA-N -1 1 195.270 1.580 10 0 ADAEMM CC[C@H](C)[C@H](C)Nc1nn[n-]n1 95259404 1423982730 /nfs/dbraw/zinc/98/27/30/1423982730.db2.gz SMDXOUQSXIENEP-WDSKDSINSA-N -1 1 169.232 1.046 10 0 ADAEMM Cc1ccc(-c2nnn[n-]2)cc1C 71496788 1423986580 /nfs/dbraw/zinc/98/65/80/1423986580.db2.gz LWFFWQSFYRKQHJ-UHFFFAOYSA-N -1 1 174.207 1.484 10 0 ADAEMM Cc1cc(Cc2nn[n-]n2)cs1 306758134 1423989956 /nfs/dbraw/zinc/98/99/56/1423989956.db2.gz ODQPJQKTBOYCJG-UHFFFAOYSA-N -1 1 180.236 1.160 10 0 ADAEMM CCC[C@H](C)CNc1nn[n-]n1 83339982 1423992178 /nfs/dbraw/zinc/99/21/78/1423992178.db2.gz XZOZRKAJBQCHJR-LURJTMIESA-N -1 1 169.232 1.048 10 0 ADAEMM Cc1cc(C)c(-c2nnn[n-]2)c(C)c1 71500193 1423993280 /nfs/dbraw/zinc/99/32/80/1423993280.db2.gz PEJCZGGAGGXLPE-UHFFFAOYSA-N -1 1 188.234 1.792 10 0 ADAEMM CCCc1ccc(-c2nnn[n-]2)cc1 71500191 1423994891 /nfs/dbraw/zinc/99/48/91/1423994891.db2.gz YMXCATDSHQGLCF-UHFFFAOYSA-N -1 1 188.234 1.819 10 0 ADAEMM Cc1cc(O)cc(Oc2nn[n-]n2)c1 144399039 1424002732 /nfs/dbraw/zinc/00/27/32/1424002732.db2.gz VAUIDXWNLCQICI-UHFFFAOYSA-N -1 1 192.178 1.006 10 0 ADAEMM Cc1[nH]c2ccccc2c1-c1nnn[n-]1 71507817 1424004863 /nfs/dbraw/zinc/00/48/63/1424004863.db2.gz RIGPEDFJRSTLHJ-UHFFFAOYSA-N -1 1 199.217 1.656 10 0 ADAEMM CCC(CC)CNc1nn[n-]n1 83339984 1424006474 /nfs/dbraw/zinc/00/64/74/1424006474.db2.gz FSKPQHPWVNMJDO-UHFFFAOYSA-N -1 1 169.232 1.048 10 0 ADAEMM FCCCCSc1nnn[n-]1 307857720 1424012931 /nfs/dbraw/zinc/01/29/31/1424012931.db2.gz DGNQEDLLRIKVPG-UHFFFAOYSA-N -1 1 176.220 1.042 10 0 ADAEMM CC1(Nc2nn[n-]n2)CCCCC1 95231493 1424013583 /nfs/dbraw/zinc/01/35/83/1424013583.db2.gz WQBJCXSARQIFMU-UHFFFAOYSA-N -1 1 181.243 1.334 10 0 ADAEMM C[C@H]1CC[C@@H](c2nnn[n-]2)C[C@@H]1C 82842202 1424015043 /nfs/dbraw/zinc/01/50/43/1424015043.db2.gz OMYPFRSHNMVLOI-BIIVOSGPSA-N -1 1 180.255 1.739 10 0 ADAEMM CC[C@H]1CCC[C@@H](c2nnn[n-]2)C1 70565353 1424016673 /nfs/dbraw/zinc/01/66/73/1424016673.db2.gz WZMPPWBYYYEGNC-JGVFFNPUSA-N -1 1 180.255 1.884 10 0 ADAEMM CC1CCC(c2nnn[n-]2)CC1 44982917 1424018548 /nfs/dbraw/zinc/01/85/48/1424018548.db2.gz QZVVODOONLODOU-UHFFFAOYSA-N -1 1 166.228 1.493 10 0 ADAEMM CO[C@]1(c2nnn[n-]2)CCC[C@H](C)C1 159166735 1424028639 /nfs/dbraw/zinc/02/86/39/1424028639.db2.gz WBRUKNNHUGPKAV-IONNQARKSA-N -1 1 196.254 1.252 10 0 ADAEMM C[Si](C)(C)CSc1nnn[n-]1 306622458 1424033567 /nfs/dbraw/zinc/03/35/67/1424033567.db2.gz CUQVAWXFVALOGB-UHFFFAOYSA-N -1 1 188.332 1.169 10 0 ADAEMM CCc1ccc(Cc2nn[n-]n2)cc1 49961877 1424037790 /nfs/dbraw/zinc/03/77/90/1424037790.db2.gz FIYHKZKOTVTFTD-UHFFFAOYSA-N -1 1 188.234 1.353 10 0 ADAEMM CO[C@@]1(c2nnn[n-]2)CCC[C@@H](C)C1 159166859 1424040124 /nfs/dbraw/zinc/04/01/24/1424040124.db2.gz WBRUKNNHUGPKAV-APPZFPTMSA-N -1 1 196.254 1.252 10 0 ADAEMM C[C@@H]1CC[C@H](c2nnn[n-]2)C1 83781238 1424042352 /nfs/dbraw/zinc/04/23/52/1424042352.db2.gz QCGDJMYJKQBOSN-RITPCOANSA-N -1 1 152.201 1.103 10 0 ADAEMM C1CC2(C1)C[C@H](c1nnn[n-]1)CCO2 86904896 1424043028 /nfs/dbraw/zinc/04/30/28/1424043028.db2.gz PZPBPVDVIDOORY-SSDOTTSWSA-N -1 1 194.238 1.016 10 0 ADAEMM CCC[C@H](C)c1nnn[n-]1 95170524 1424045356 /nfs/dbraw/zinc/04/53/56/1424045356.db2.gz JKBVRQHRFLMQNV-YFKPBYRVSA-N -1 1 140.190 1.103 10 0 ADAEMM C[C@H]1C[C@H](C)CC[C@@H]1Nc1nn[n-]n1 693727806 1424046686 /nfs/dbraw/zinc/04/66/86/1424046686.db2.gz PCAXEZDUQVDTKT-CSMHCCOUSA-N -1 1 195.270 1.436 10 0 ADAEMM C[C@@H]1CC[C@H](Sc2nnn[n-]2)C1 306661419 1424048050 /nfs/dbraw/zinc/04/80/50/1424048050.db2.gz OCPIXUONGLWEIC-RITPCOANSA-N -1 1 184.268 1.480 10 0 ADAEMM C[C@H]1CCC[C@@H]1c1nnn[n-]1 95266877 1424054788 /nfs/dbraw/zinc/05/47/88/1424054788.db2.gz PLSGXHWUUAKQSF-WDSKDSINSA-N -1 1 152.201 1.103 10 0 ADAEMM Cc1cccc(Nc2nn[n-]n2)c1C 95213892 1424055252 /nfs/dbraw/zinc/05/52/52/1424055252.db2.gz MUDNBRMRYYGTPZ-UHFFFAOYSA-N -1 1 189.222 1.560 10 0 ADAEMM CCSCSc1nnn[n-]1 307281423 1424057175 /nfs/dbraw/zinc/05/71/75/1424057175.db2.gz JVDCLYQFWQQXNF-UHFFFAOYSA-N -1 1 176.270 1.002 10 0 ADAEMM Fc1cccc(-c2nnn[n-]2)c1F 95218659 1424070319 /nfs/dbraw/zinc/07/03/19/1424070319.db2.gz AOCVKPPJXFXWIT-UHFFFAOYSA-N -1 1 182.133 1.145 10 0 ADAEMM FC1(F)CCC[C@H]1Cc1nnn[n-]1 306800872 1424072120 /nfs/dbraw/zinc/07/21/20/1424072120.db2.gz PRJNCFYCFTYHTR-YFKPBYRVSA-N -1 1 188.181 1.178 10 0 ADAEMM C[C@H]1CCCC[C@H]1CNc1nn[n-]n1 95254872 1424078439 /nfs/dbraw/zinc/07/84/39/1424078439.db2.gz FCFLSJDCYGKHCN-YUMQZZPRSA-N -1 1 195.270 1.438 10 0 ADAEMM C1CCC(OCCc2nnn[n-]2)CC1 95107335 1424085994 /nfs/dbraw/zinc/08/59/94/1424085994.db2.gz FNNQWIAYIMZUJP-UHFFFAOYSA-N -1 1 196.254 1.092 10 0 ADAEMM C[C@H](Sc1nnn[n-]1)C(F)(F)F 306290034 1424087640 /nfs/dbraw/zinc/08/76/40/1424087640.db2.gz OTIZUNIEBYVJSF-REOHCLBHSA-N -1 1 198.173 1.243 10 0 ADAEMM CC[C@@H](Nc1nn[n-]n1)C(C)C 95258660 1424092517 /nfs/dbraw/zinc/09/25/17/1424092517.db2.gz PCVZNVYECPKNJF-ZCFIWIBFSA-N -1 1 169.232 1.046 10 0 ADAEMM C[C@@H]1CCC[C@@H](c2nnn[n-]2)C1 44977614 1424098359 /nfs/dbraw/zinc/09/83/59/1424098359.db2.gz IYLVWKDQQOWLHE-RNFRBKRXSA-N -1 1 166.228 1.493 10 0 ADAEMM C[C@H]1CCCC[C@@H]1CNc1nn[n-]n1 95254870 1424112268 /nfs/dbraw/zinc/11/22/68/1424112268.db2.gz FCFLSJDCYGKHCN-JGVFFNPUSA-N -1 1 195.270 1.438 10 0 ADAEMM CC[C@H](Nc1nn[n-]n1)C(C)C 95258659 1424112660 /nfs/dbraw/zinc/11/26/60/1424112660.db2.gz PCVZNVYECPKNJF-LURJTMIESA-N -1 1 169.232 1.046 10 0 ADAEMM CC[C@H](CC1CC1)Nc1nn[n-]n1 95262072 1424112954 /nfs/dbraw/zinc/11/29/54/1424112954.db2.gz BESSCYDATKDLRQ-SSDOTTSWSA-N -1 1 181.243 1.190 10 0 ADAEMM CCC[C@@H](CC)Nc1nn[n-]n1 95276759 1424115765 /nfs/dbraw/zinc/11/57/65/1424115765.db2.gz CFTGSDFCXRBUTN-ZCFIWIBFSA-N -1 1 169.232 1.190 10 0 ADAEMM CC(C)CCSc1nnn[n-]1 307669467 1424116466 /nfs/dbraw/zinc/11/64/66/1424116466.db2.gz NSWIYYHHLOWEHG-UHFFFAOYSA-N -1 1 172.257 1.338 10 0 ADAEMM CC(C)(C)SCCc1nnn[n-]1 95114317 1424126421 /nfs/dbraw/zinc/12/64/21/1424126421.db2.gz ZEDZRIILZDHSLY-UHFFFAOYSA-N -1 1 186.284 1.274 10 0 ADAEMM C[C@H](Nc1nn[n-]n1)c1ccccc1 95248429 1424129250 /nfs/dbraw/zinc/12/92/50/1424129250.db2.gz WGSLOJRNYTULGG-ZETCQYMHSA-N -1 1 189.222 1.373 10 0 ADAEMM Fc1ccc(Nc2nn[n-]n2)c(F)c1 95142103 1424129698 /nfs/dbraw/zinc/12/96/98/1424129698.db2.gz ATMZSAFIRKKHPS-UHFFFAOYSA-N -1 1 197.148 1.222 10 0 ADAEMM CCc1ccc(Nc2nn[n-]n2)cc1 95283933 1424135044 /nfs/dbraw/zinc/13/50/44/1424135044.db2.gz SKBNHDLBDZWQRZ-UHFFFAOYSA-N -1 1 189.222 1.506 10 0 ADAEMM C[C@H](Sc1nnn[n-]1)C1CCCC1 306613193 1424138567 /nfs/dbraw/zinc/13/85/67/1424138567.db2.gz KDKDVXVAWGCIBH-LURJTMIESA-N -1 1 198.295 1.871 10 0 ADAEMM C[C@H]1C[C@H](c2nnn[n-]2)CC[C@H]1C 82842200 1424150364 /nfs/dbraw/zinc/15/03/64/1424150364.db2.gz OMYPFRSHNMVLOI-GJMOJQLCSA-N -1 1 180.255 1.739 10 0 ADAEMM COc1ccc(-c2nnn[n-]2)cc1C 71500592 1424161645 /nfs/dbraw/zinc/16/16/45/1424161645.db2.gz ZIHYTOAJAVRJOD-UHFFFAOYSA-N -1 1 190.206 1.184 10 0 ADAEMM COC1(c2nnn[n-]2)CCCCCC1 159167902 1424163315 /nfs/dbraw/zinc/16/33/15/1424163315.db2.gz QEQVFDBDELQMHS-UHFFFAOYSA-N -1 1 196.254 1.396 10 0 ADAEMM C[C@@H]1CCC[C@@H](Cc2nnn[n-]2)C1 306377810 1424165323 /nfs/dbraw/zinc/16/53/23/1424165323.db2.gz LVMKMQNYXKJANC-HTQZYQBOSA-N -1 1 180.255 1.569 10 0 ADAEMM CC1(C)CCC(c2nnn[n-]2)CC1 83778451 1424169010 /nfs/dbraw/zinc/16/90/10/1424169010.db2.gz QWRLUFRQSFXXRQ-UHFFFAOYSA-N -1 1 180.255 1.884 10 0 ADAEMM CC[C@@H](C)Sc1nnn[n-]1 95162551 1424176072 /nfs/dbraw/zinc/17/60/72/1424176072.db2.gz NIHSVGRFKZHRPB-SCSAIBSYSA-N -1 1 158.230 1.090 10 0 ADAEMM CCO[C@H](c1nnn[n-]1)C(C)(C)C 131030751 1424178737 /nfs/dbraw/zinc/17/87/37/1424178737.db2.gz CEXNYCXAALNYSR-ZCFIWIBFSA-N -1 1 184.243 1.323 10 0 ADAEMM C[C@@H]1CCC[C@H](Sc2nnn[n-]2)C1 307678020 1424179513 /nfs/dbraw/zinc/17/95/13/1424179513.db2.gz JUKHERSEFYHJGC-RQJHMYQMSA-N -1 1 198.295 1.871 10 0 ADAEMM Cc1cccc(C)c1Cc1nn[n-]n1 95213912 1424181024 /nfs/dbraw/zinc/18/10/24/1424181024.db2.gz OLJYPODKHOIUCQ-UHFFFAOYSA-N -1 1 188.234 1.407 10 0 ADAEMM CC(C)C[C@@H](C)c1nnn[n-]1 95153141 1424184300 /nfs/dbraw/zinc/18/43/00/1424184300.db2.gz LWOYCRAHMPZIFA-ZCFIWIBFSA-N -1 1 154.217 1.349 10 0 ADAEMM CC1(c2nnn[n-]2)CCCCC1 95157174 1424185165 /nfs/dbraw/zinc/18/51/65/1424185165.db2.gz WQJFTABNOFIGMK-UHFFFAOYSA-N -1 1 166.228 1.422 10 0 ADAEMM C1CCC(CCc2nnn[n-]2)C1 95124630 1424185328 /nfs/dbraw/zinc/18/53/28/1424185328.db2.gz UGYXMADYFDOFLJ-UHFFFAOYSA-N -1 1 166.228 1.323 10 0 ADAEMM C[C@@H]1CC[C@H](c2nnn[n-]2)C[C@H]1C 251845257 1424188165 /nfs/dbraw/zinc/18/81/65/1424188165.db2.gz OMYPFRSHNMVLOI-PRJMDXOYSA-N -1 1 180.255 1.739 10 0 ADAEMM C[C@@H]1CCC[C@H](c2nnn[n-]2)C1 44977609 1424193158 /nfs/dbraw/zinc/19/31/58/1424193158.db2.gz IYLVWKDQQOWLHE-RQJHMYQMSA-N -1 1 166.228 1.493 10 0 ADAEMM Cc1ccc(Nc2nn[n-]n2)c(F)c1 95322207 1424196053 /nfs/dbraw/zinc/19/60/53/1424196053.db2.gz XSCZRTCNOHWELM-UHFFFAOYSA-N -1 1 193.185 1.391 10 0 ADAEMM C[C@@H]1CCCC[C@H]1Nc1nn[n-]n1 95254915 1424200725 /nfs/dbraw/zinc/20/07/25/1424200725.db2.gz CGFSCZHCUPTRFK-RNFRBKRXSA-N -1 1 181.243 1.190 10 0 ADAEMM Cc1ccc([C@H](C)Nc2nn[n-]n2)o1 95324564 1424204991 /nfs/dbraw/zinc/20/49/91/1424204991.db2.gz JNCVQIDMCZKFTO-LURJTMIESA-N -1 1 193.210 1.274 10 0 ADAEMM CC(C)CCCNc1nn[n-]n1 95199124 1424208641 /nfs/dbraw/zinc/20/86/41/1424208641.db2.gz DYPFMYBCTCNGQY-UHFFFAOYSA-N -1 1 169.232 1.048 10 0 ADAEMM CC[C@@H](C)[C@H](C)c1nnn[n-]1 95274524 1424211601 /nfs/dbraw/zinc/21/16/01/1424211601.db2.gz QVGJLNVSZHRMSI-RITPCOANSA-N -1 1 154.217 1.349 10 0 ADAEMM CCC(CC)Sc1nnn[n-]1 307665574 1424215088 /nfs/dbraw/zinc/21/50/88/1424215088.db2.gz AYPZEZLNEISOSC-UHFFFAOYSA-N -1 1 172.257 1.480 10 0 ADAEMM CCC(C)(CC)c1nnn[n-]1 95274149 1424229293 /nfs/dbraw/zinc/22/92/93/1424229293.db2.gz JWCSECNEAOZQGD-UHFFFAOYSA-N -1 1 154.217 1.277 10 0 ADAEMM C1CCC(CCSc2nnn[n-]2)C1 308351094 1424232490 /nfs/dbraw/zinc/23/24/90/1424232490.db2.gz YKYLLNIRRSVAND-UHFFFAOYSA-N -1 1 198.295 1.872 10 0 ADAEMM C1CCC(OCc2nnn[n-]2)CC1 95125364 1424236844 /nfs/dbraw/zinc/23/68/44/1424236844.db2.gz LDWCJLBXDDJAMD-UHFFFAOYSA-N -1 1 182.227 1.049 10 0 ADAEMM Cc1cc(C)c(-c2nnn[n-]2)cc1C 71500210 1424240977 /nfs/dbraw/zinc/24/09/77/1424240977.db2.gz KXZQNWATRPEOPQ-UHFFFAOYSA-N -1 1 188.234 1.792 10 0 ADAEMM CCO[C@@H](c1nnn[n-]1)C(C)(C)C 131030600 1424244089 /nfs/dbraw/zinc/24/40/89/1424244089.db2.gz CEXNYCXAALNYSR-LURJTMIESA-N -1 1 184.243 1.323 10 0 ADAEMM c1csc(CSc2nn[n-]n2)c1 306647469 1424247155 /nfs/dbraw/zinc/24/71/55/1424247155.db2.gz BTDHFAQSPQOLAU-UHFFFAOYSA-N -1 1 198.276 1.554 10 0 ADAEMM CC[C@H](C)[C@H](C)c1nnn[n-]1 95274525 1424247201 /nfs/dbraw/zinc/24/72/01/1424247201.db2.gz QVGJLNVSZHRMSI-WDSKDSINSA-N -1 1 154.217 1.349 10 0 ADAEMM Clc1cccc(Nc2nn[n-]n2)c1 95221103 1424247215 /nfs/dbraw/zinc/24/72/15/1424247215.db2.gz MEDXKRSHLDAUGM-UHFFFAOYSA-N -1 1 195.613 1.597 10 0 ADAEMM CC[C@@H](CC1CC1)Nc1nn[n-]n1 95262071 1424247746 /nfs/dbraw/zinc/24/77/46/1424247746.db2.gz BESSCYDATKDLRQ-ZETCQYMHSA-N -1 1 181.243 1.190 10 0 ADAEMM ClC=CCSc1nnn[n-]1 95122135 1424248365 /nfs/dbraw/zinc/24/83/65/1424248365.db2.gz GISUFDUJPWROTK-OWOJBTEDSA-N -1 1 176.632 1.044 10 0 ADAEMM Cc1cc(C)cc(Nc2nn[n-]n2)c1 95210767 1424251410 /nfs/dbraw/zinc/25/14/10/1424251410.db2.gz FPCPTPYQNBVOCD-UHFFFAOYSA-N -1 1 189.222 1.560 10 0 ADAEMM CC(C)c1ccncc1-c1nnn[n-]1 95237737 1424252616 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XHRNRGJBLGSHHE-UHFFFAOYSA-N -1 1 156.121 1.087 10 0 ADAEMM CC(=N)c1c([O-])cc(C)oc1=O 3944814 342986055 /nfs/dbraw/zinc/98/60/55/342986055.db2.gz NGBJXTBTFVALDW-UHFFFAOYSA-N -1 1 167.164 1.042 10 0 ADAEMM CCSc1nc2c(c(=O)[n-]1)CCC2 5525863 343004747 /nfs/dbraw/zinc/00/47/47/343004747.db2.gz ATEWDMNSOVSBBG-UHFFFAOYSA-N -1 1 196.275 1.371 10 0 ADAEMM C=COCC[N-]C(=S)SCC 5718961 343006688 /nfs/dbraw/zinc/00/66/88/343006688.db2.gz KMJLLYXNNVBEDF-UHFFFAOYSA-N -1 1 191.321 1.774 10 0 ADAEMM Cc1cc([O-])cc2c1C(=O)CCO2 6521993 343015100 /nfs/dbraw/zinc/01/51/00/343015100.db2.gz PXBVKFGQILAFNV-UHFFFAOYSA-N -1 1 178.187 1.666 10 0 ADAEMM Cc1cccc(-n2[n-]c(=O)cc2N)c1 6523094 343015250 /nfs/dbraw/zinc/01/52/50/343015250.db2.gz HPSPRTOUCYPOME-UHFFFAOYSA-N -1 1 189.218 1.056 10 0 ADAEMM CN(C)CC(=O)c1ccc([O-])cc1 13352580 343034150 /nfs/dbraw/zinc/03/41/50/343034150.db2.gz VUEDDMDOQVIYSD-UHFFFAOYSA-N -1 1 179.219 1.137 10 0 ADAEMM COc1cc([O-])cc(C)c1C=O 13334459 343034285 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BZNAEPZHNSZFSO-NKWVEPMBSA-N -1 1 194.234 1.188 10 0 ADAEMM C[C@H]1CC[C@@H]1c1cc(=O)[n-]c(CO)n1 606302295 346977018 /nfs/dbraw/zinc/97/70/18/346977018.db2.gz BZNAEPZHNSZFSO-BQBZGAKWSA-N -1 1 194.234 1.188 10 0 ADAEMM C[C@@H]1CC[C@H]1c1cc(=O)[n-]c(CO)n1 606302297 346977027 /nfs/dbraw/zinc/97/70/27/346977027.db2.gz BZNAEPZHNSZFSO-RNFRBKRXSA-N -1 1 194.234 1.188 10 0 ADAEMM C[C@@H]1CC[C@@H]1c1cc(=O)[n-]c(CO)n1 606302298 346977109 /nfs/dbraw/zinc/97/71/09/346977109.db2.gz BZNAEPZHNSZFSO-RQJHMYQMSA-N -1 1 194.234 1.188 10 0 ADAEMM CC[C@@H](C)[C@H](N)c1ocnc1C(=O)[O-] 616568299 347095405 /nfs/dbraw/zinc/09/54/05/347095405.db2.gz IIODAAJOQJRTKK-RITPCOANSA-N -1 1 198.222 1.419 10 0 ADAEMM CC[C@@H](C)[C@@H](N)c1ocnc1C(=O)[O-] 616568298 347095416 /nfs/dbraw/zinc/09/54/16/347095416.db2.gz IIODAAJOQJRTKK-PHDIDXHHSA-N -1 1 198.222 1.419 10 0 ADAEMM CC[C@H](C)[C@@H](N)c1ocnc1C(=O)[O-] 616568294 347095456 /nfs/dbraw/zinc/09/54/56/347095456.db2.gz IIODAAJOQJRTKK-NTSWFWBYSA-N -1 1 198.222 1.419 10 0 ADAEMM CCC[C@H](N)c1ocnc1C(=O)[O-] 616568211 347095669 /nfs/dbraw/zinc/09/56/69/347095669.db2.gz GMZBXEKRJGPXAC-YFKPBYRVSA-N -1 1 184.195 1.173 10 0 ADAEMM CCC[C@@H](N)c1ocnc1C(=O)[O-] 616568208 347095706 /nfs/dbraw/zinc/09/57/06/347095706.db2.gz GMZBXEKRJGPXAC-RXMQYKEDSA-N -1 1 184.195 1.173 10 0 ADAEMM N[C@@H](CC1CC1)c1ocnc1C(=O)[O-] 616568780 347096263 /nfs/dbraw/zinc/09/62/63/347096263.db2.gz MPBJFSVTEOHWJX-LURJTMIESA-N -1 1 196.206 1.173 10 0 ADAEMM CC(C)[C@@H](N)c1ocnc1C(=O)[O-] 616568878 347096421 /nfs/dbraw/zinc/09/64/21/347096421.db2.gz NMNICFVVPUZEIK-RXMQYKEDSA-N -1 1 184.195 1.029 10 0 ADAEMM CC(C)[C@H](N)c1ocnc1C(=O)[O-] 616568880 347096460 /nfs/dbraw/zinc/09/64/60/347096460.db2.gz NMNICFVVPUZEIK-YFKPBYRVSA-N -1 1 184.195 1.029 10 0 ADAEMM CC(C)(C)[C@H](N)c1ocnc1C(=O)[O-] 616569754 347097356 /nfs/dbraw/zinc/09/73/56/347097356.db2.gz WPNYAJASUZSLIN-SSDOTTSWSA-N -1 1 198.222 1.419 10 0 ADAEMM CCCC[C@@H](N)c1ocnc1C(=O)[O-] 616570044 347097981 /nfs/dbraw/zinc/09/79/81/347097981.db2.gz ZSUQEFWKKBYSGD-ZCFIWIBFSA-N -1 1 198.222 1.563 10 0 ADAEMM CCCC[C@H](N)c1ocnc1C(=O)[O-] 616570041 347098042 /nfs/dbraw/zinc/09/80/42/347098042.db2.gz ZSUQEFWKKBYSGD-LURJTMIESA-N -1 1 198.222 1.563 10 0 ADAEMM CC(C)(C)[C@@H](N)c1ocnc1C(=O)[O-] 616569755 347098072 /nfs/dbraw/zinc/09/80/72/347098072.db2.gz WPNYAJASUZSLIN-ZETCQYMHSA-N -1 1 198.222 1.419 10 0 ADAEMM O=C([O-])N1CCC[C@@H]1c1cnc[nH]1 616608084 347113923 /nfs/dbraw/zinc/11/39/23/347113923.db2.gz VRLPXPPDDWJKMS-SSDOTTSWSA-N -1 1 181.195 1.225 10 0 ADAEMM O=C([O-])N1CCC[C@H]1c1cnc[nH]1 616607996 347114038 /nfs/dbraw/zinc/11/40/38/347114038.db2.gz VRLPXPPDDWJKMS-ZETCQYMHSA-N -1 1 181.195 1.225 10 0 ADAEMM O=C([O-])N1CCCC[C@@H]1c1cnc[nH]1 616612480 347117363 /nfs/dbraw/zinc/11/73/63/347117363.db2.gz JKWLUOUWUFNFHE-MRVPVSSYSA-N -1 1 195.222 1.615 10 0 ADAEMM O=C([O-])N1CCCC[C@@H]1c1nnc[nH]1 616613224 347118130 /nfs/dbraw/zinc/11/81/30/347118130.db2.gz QRUOTQZFHQYMRZ-ZCFIWIBFSA-N -1 1 196.210 1.010 10 0 ADAEMM O=C([O-])N1CCCC[C@@H]1c1c[nH]nn1 616613438 347118602 /nfs/dbraw/zinc/11/86/02/347118602.db2.gz YSCMIUUBVYUJBW-SSDOTTSWSA-N -1 1 196.210 1.010 10 0 ADAEMM O=C([O-])N1CCCC[C@H]1c1nnc[nH]1 616616800 347122823 /nfs/dbraw/zinc/12/28/23/347122823.db2.gz QRUOTQZFHQYMRZ-LURJTMIESA-N -1 1 196.210 1.010 10 0 ADAEMM O=C([O-])N1CCCC[C@H]1c1c[nH]nn1 616616916 347122976 /nfs/dbraw/zinc/12/29/76/347122976.db2.gz YSCMIUUBVYUJBW-ZETCQYMHSA-N -1 1 196.210 1.010 10 0 ADAEMM O=C([O-])N1CCCC[C@H]1c1cnc[nH]1 616616603 347123084 /nfs/dbraw/zinc/12/30/84/347123084.db2.gz JKWLUOUWUFNFHE-QMMMGPOBSA-N -1 1 195.222 1.615 10 0 ADAEMM O=C([O-])N1CCC[C@@H](c2cnc[nH]2)C1 616618234 347125136 /nfs/dbraw/zinc/12/51/36/347125136.db2.gz JVZCEBUTACLSSJ-SSDOTTSWSA-N -1 1 195.222 1.267 10 0 ADAEMM O=C([O-])N1CCC[C@H](c2cnc[nH]2)C1 616618701 347125347 /nfs/dbraw/zinc/12/53/47/347125347.db2.gz JVZCEBUTACLSSJ-ZETCQYMHSA-N -1 1 195.222 1.267 10 0 ADAEMM O=C([O-])N1CCC(c2cnc[nH]2)CC1 616620500 347126206 /nfs/dbraw/zinc/12/62/06/347126206.db2.gz BKQKNBYJIVQQQE-UHFFFAOYSA-N -1 1 195.222 1.267 10 0 ADAEMM Cc1ocnc1C(=O)[N-]c1cnoc1 623940014 347267856 /nfs/dbraw/zinc/26/78/56/347267856.db2.gz NIRIOTCPOCWJRG-UHFFFAOYSA-N -1 1 193.162 1.223 10 0 ADAEMM CCCCc1[n-][nH]c(=O)c1C 634582800 347414685 /nfs/dbraw/zinc/41/46/85/347414685.db2.gz BNQLCNWNHAIWIZ-LURJTMIESA-N -1 1 154.213 1.299 10 0 ADAEMM C[C@H]1CCc2[n-]n(C)c(=O)c2C1 634582866 347414772 /nfs/dbraw/zinc/41/47/72/347414772.db2.gz DLMCMEIYFRDXGN-NKWVEPMBSA-N -1 1 166.224 1.251 10 0 ADAEMM CCCCc1[n-][nH]c(=O)c1C 634582801 347414876 /nfs/dbraw/zinc/41/48/76/347414876.db2.gz BNQLCNWNHAIWIZ-ZCFIWIBFSA-N -1 1 154.213 1.299 10 0 ADAEMM C[C@H]1CCc2[n-]n(C)c(=O)c2C1 634582865 347414914 /nfs/dbraw/zinc/41/49/14/347414914.db2.gz DLMCMEIYFRDXGN-BQBZGAKWSA-N -1 1 166.224 1.251 10 0 ADAEMM C[C@@H]1CCc2[n-]n(C)c(=O)c2C1 634582867 347414975 /nfs/dbraw/zinc/41/49/75/347414975.db2.gz DLMCMEIYFRDXGN-RNFRBKRXSA-N -1 1 166.224 1.251 10 0 ADAEMM CCn1[n-]c2c(c1=O)C[C@H](C)CC2 634584600 347415707 /nfs/dbraw/zinc/41/57/07/347415707.db2.gz HTSKGWKPNMBQGT-HTQZYQBOSA-N -1 1 180.251 1.641 10 0 ADAEMM CCn1[n-]c2c(c1=O)C[C@@H](C)CC2 634584601 347415782 /nfs/dbraw/zinc/41/57/82/347415782.db2.gz HTSKGWKPNMBQGT-JGVFFNPUSA-N -1 1 180.251 1.641 10 0 ADAEMM CCn1[n-]c2c(c1=O)C[C@@H](C)CC2 634584603 347415884 /nfs/dbraw/zinc/41/58/84/347415884.db2.gz HTSKGWKPNMBQGT-YUMQZZPRSA-N -1 1 180.251 1.641 10 0 ADAEMM CCn1[n-]c2c(c1=O)C[C@H](C)CC2 634584602 347415908 /nfs/dbraw/zinc/41/59/08/347415908.db2.gz HTSKGWKPNMBQGT-SFYZADRCSA-N -1 1 180.251 1.641 10 0 ADAEMM CCCn1[n-]c(-c2ccc[nH]2)cc1=O 634592352 347417845 /nfs/dbraw/zinc/41/78/45/347417845.db2.gz HICYFWJCAVWXSV-UHFFFAOYSA-N -1 1 191.234 1.361 10 0 ADAEMM CC(C)n1[n-]c(-c2ccc[nH]2)cc1=O 634594830 347418311 /nfs/dbraw/zinc/41/83/11/347418311.db2.gz IRTMSLOXAAHHAZ-UHFFFAOYSA-N -1 1 191.234 1.360 10 0 ADAEMM CCCc1c(C)[n-]n(CCOC)c1=O 634596892 347418957 /nfs/dbraw/zinc/41/89/57/347418957.db2.gz VAYGYYXPZMRNAZ-SECBINFHSA-N -1 1 198.266 1.267 10 0 ADAEMM CCCc1c(C)[n-]n(CCOC)c1=O 634596893 347418966 /nfs/dbraw/zinc/41/89/66/347418966.db2.gz VAYGYYXPZMRNAZ-VIFPVBQESA-N -1 1 198.266 1.267 10 0 ADAEMM Cc1[n-]n(C[C@H]2CCCO2)c(=O)c1C 634598091 347419548 /nfs/dbraw/zinc/41/95/48/347419548.db2.gz CVGFYDFUAOAMIT-VXNVDRBHSA-N -1 1 196.250 1.020 10 0 ADAEMM Cc1[n-]n(C[C@@H]2CCCO2)c(=O)c1C 634598089 347419731 /nfs/dbraw/zinc/41/97/31/347419731.db2.gz CVGFYDFUAOAMIT-CBAPKCEASA-N -1 1 196.250 1.020 10 0 ADAEMM Cc1[n-]n(C[C@H]2CCCO2)c(=O)c1C 634598090 347419775 /nfs/dbraw/zinc/41/97/75/347419775.db2.gz CVGFYDFUAOAMIT-IONNQARKSA-N -1 1 196.250 1.020 10 0 ADAEMM Cc1[n-]n(C[C@@H]2CCCO2)c(=O)c1C 634598088 347419781 /nfs/dbraw/zinc/41/97/81/347419781.db2.gz CVGFYDFUAOAMIT-APPZFPTMSA-N -1 1 196.250 1.020 10 0 ADAEMM CCCc1c(C)[n-]n(C[C@H](C)O)c1=O 634612604 347420057 /nfs/dbraw/zinc/42/00/57/347420057.db2.gz DBFLGOAMUHZQEH-IONNQARKSA-N -1 1 198.266 1.002 10 0 ADAEMM CCc1c(C)[n-]n([C@@H](C)COC)c1=O 634610655 347420143 /nfs/dbraw/zinc/42/01/43/347420143.db2.gz BUTUIPCLKGKAPG-IONNQARKSA-N -1 1 198.266 1.266 10 0 ADAEMM COC[C@H](C)n1[n-]c2c(c1=O)CCC2 634610969 347420257 /nfs/dbraw/zinc/42/02/57/347420257.db2.gz KTYQYRXMXUWVKS-JGVFFNPUSA-N -1 1 196.250 1.020 10 0 ADAEMM CCc1c(C)[n-]n([C@H](C)COC)c1=O 634610653 347420578 /nfs/dbraw/zinc/42/05/78/347420578.db2.gz BUTUIPCLKGKAPG-APPZFPTMSA-N -1 1 198.266 1.266 10 0 ADAEMM COC[C@@H](C)n1[n-]c2c(c1=O)CCC2 634610970 347420388 /nfs/dbraw/zinc/42/03/88/347420388.db2.gz KTYQYRXMXUWVKS-SFYZADRCSA-N -1 1 196.250 1.020 10 0 ADAEMM CCCc1c(C)[n-]n(C[C@H](C)O)c1=O 634612603 347420485 /nfs/dbraw/zinc/42/04/85/347420485.db2.gz DBFLGOAMUHZQEH-CBAPKCEASA-N -1 1 198.266 1.002 10 0 ADAEMM CCc1c(C)[n-]n([C@H](C)COC)c1=O 634610656 347420493 /nfs/dbraw/zinc/42/04/93/347420493.db2.gz BUTUIPCLKGKAPG-VXNVDRBHSA-N -1 1 198.266 1.266 10 0 ADAEMM CCCc1c(C)[n-]n(C[C@@H](C)O)c1=O 634612602 347420572 /nfs/dbraw/zinc/42/05/72/347420572.db2.gz DBFLGOAMUHZQEH-APPZFPTMSA-N -1 1 198.266 1.002 10 0 ADAEMM CCCc1c(C)[n-]n([C@@H](C)CO)c1=O 634617247 347421185 /nfs/dbraw/zinc/42/11/85/347421185.db2.gz JYTKHZVCBBKEJJ-CBAPKCEASA-N -1 1 198.266 1.002 10 0 ADAEMM CCCc1c(C)[n-]n([C@H](C)CO)c1=O 634617249 347421243 /nfs/dbraw/zinc/42/12/43/347421243.db2.gz JYTKHZVCBBKEJJ-VXNVDRBHSA-N -1 1 198.266 1.002 10 0 ADAEMM CCCc1c(C)[n-]n([C@H](C)CO)c1=O 634617246 347421369 /nfs/dbraw/zinc/42/13/69/347421369.db2.gz JYTKHZVCBBKEJJ-APPZFPTMSA-N -1 1 198.266 1.002 10 0 ADAEMM CCCc1c(C)[n-]n([C@@H](C)CO)c1=O 634617248 347421446 /nfs/dbraw/zinc/42/14/46/347421446.db2.gz JYTKHZVCBBKEJJ-IONNQARKSA-N -1 1 198.266 1.002 10 0 ADAEMM O=c1c2c([n-]n1C1CC1)CCC2 634618466 347421885 /nfs/dbraw/zinc/42/18/85/347421885.db2.gz RWYRPDQCIPPCJK-SSDOTTSWSA-N -1 1 164.208 1.147 10 0 ADAEMM O=c1c2c([n-]n1C1CC1)CCC2 634618467 347421879 /nfs/dbraw/zinc/42/18/79/347421879.db2.gz RWYRPDQCIPPCJK-ZETCQYMHSA-N -1 1 164.208 1.147 10 0 ADAEMM O=c1c2c([n-]n1CC(F)F)CCC2 634622439 347422612 /nfs/dbraw/zinc/42/26/12/347422612.db2.gz FKYBMCJNVRWGIY-RXMQYKEDSA-N -1 1 188.177 1.250 10 0 ADAEMM CCCc1c(C)[n-]n(C2CC2)c1=O 634619204 347422651 /nfs/dbraw/zinc/42/26/51/347422651.db2.gz RWALSTNSKWWNFW-VIFPVBQESA-N -1 1 180.251 1.783 10 0 ADAEMM O=c1c2c([n-]n1CC(F)F)CCC2 634622440 347422719 /nfs/dbraw/zinc/42/27/19/347422719.db2.gz FKYBMCJNVRWGIY-YFKPBYRVSA-N -1 1 188.177 1.250 10 0 ADAEMM CCCc1c(C)[n-]n(C2CC2)c1=O 634619203 347422753 /nfs/dbraw/zinc/42/27/53/347422753.db2.gz RWALSTNSKWWNFW-SECBINFHSA-N -1 1 180.251 1.783 10 0 ADAEMM O=c1c2c([n-]n1C13CC(C1)C3)CCC2 634624693 347423458 /nfs/dbraw/zinc/42/34/58/347423458.db2.gz OGRINKUMQOCKII-KAIZJQOQSA-N -1 1 190.246 1.537 10 0 ADAEMM O=c1c2c([n-]n1C13CC(C1)C3)CCC2 634624692 347423680 /nfs/dbraw/zinc/42/36/80/347423680.db2.gz OGRINKUMQOCKII-JKDSDDBFSA-N -1 1 190.246 1.537 10 0 ADAEMM CCc1c(C)[n-]n(C23CC(C2)C3)c1=O 634625338 347423845 /nfs/dbraw/zinc/42/38/45/347423845.db2.gz DWOGNVKNSOMRHC-YUCVTWSNSA-N -1 1 192.262 1.783 10 0 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