smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=Cc1c[nH+]c2n1CCCN2 24541002 537787251 /nfs/dbraw/zinc/78/72/51/537787251.db2.gz XYOQUXOTCZBLIX-UHFFFAOYSA-N 1 2 151.169 0.511 20 0 ACADLO Cc1nc(C[NH2+][C@H](C)C(N)=O)cs1 35148892 537795794 /nfs/dbraw/zinc/79/57/94/537795794.db2.gz YCKLJGGCUQMGEY-RXMQYKEDSA-N 1 2 199.279 0.415 20 0 ACADLO COCC[NH2+]Cc1csnn1 36901802 537805783 /nfs/dbraw/zinc/80/57/83/537805783.db2.gz SDHKIDKCVMGURH-UHFFFAOYSA-N 1 2 173.241 0.274 20 0 ACADLO COc1nc(C)cc(-n2cc[nH+]c2)n1 39185394 537833732 /nfs/dbraw/zinc/83/37/32/537833732.db2.gz CVCVIZHEQXZDOP-UHFFFAOYSA-N 1 2 190.206 0.979 20 0 ACADLO Cc1cc(N(CCO)C(C)C)nc[nH+]1 40727684 537834261 /nfs/dbraw/zinc/83/42/61/537834261.db2.gz ATQAJRXXDQSZHR-UHFFFAOYSA-N 1 2 195.266 0.992 20 0 ACADLO Cc1cc(NC(C)(C)CO)nc[nH+]1 40727153 537834462 /nfs/dbraw/zinc/83/44/62/537834462.db2.gz YEQUPGVWCCWQJY-UHFFFAOYSA-N 1 2 181.239 0.968 20 0 ACADLO Cc1cc(N(CCO)C2CC2)nc[nH+]1 40727686 537835387 /nfs/dbraw/zinc/83/53/87/537835387.db2.gz KYJDCLLYYLYDPV-UHFFFAOYSA-N 1 2 193.250 0.746 20 0 ACADLO C[C@@H]([NH2+]Cc1cscn1)C(N)=O 40436078 537836496 /nfs/dbraw/zinc/83/64/96/537836496.db2.gz BQEXMXMLBDEEOZ-RXMQYKEDSA-N 1 2 185.252 0.107 20 0 ACADLO Cc1nc(C[N@H+](C)CCO)cs1 44293743 537848861 /nfs/dbraw/zinc/84/88/61/537848861.db2.gz ZXTKXJJIGOHART-UHFFFAOYSA-N 1 2 186.280 0.876 20 0 ACADLO Cc1nc(C[N@@H+](C)CCO)cs1 44293743 537848874 /nfs/dbraw/zinc/84/88/74/537848874.db2.gz ZXTKXJJIGOHART-UHFFFAOYSA-N 1 2 186.280 0.876 20 0 ACADLO CNC(=O)CCNc1cccc[nH+]1 44995888 537850587 /nfs/dbraw/zinc/85/05/87/537850587.db2.gz XDJZJAAWIMKZKL-UHFFFAOYSA-N 1 2 179.223 0.630 20 0 ACADLO C[N@H+](CCO)Cc1cscn1 49634117 537858505 /nfs/dbraw/zinc/85/85/05/537858505.db2.gz WFGOWLHZAWNEAI-UHFFFAOYSA-N 1 2 172.253 0.567 20 0 ACADLO C[N@@H+](CCO)Cc1cscn1 49634117 537858510 /nfs/dbraw/zinc/85/85/10/537858510.db2.gz WFGOWLHZAWNEAI-UHFFFAOYSA-N 1 2 172.253 0.567 20 0 ACADLO Cc1cc(C[N@H+](C)CCO)no1 49633980 537858526 /nfs/dbraw/zinc/85/85/26/537858526.db2.gz WMJYEOCTCMTBSH-UHFFFAOYSA-N 1 2 170.212 0.407 20 0 ACADLO Cc1cc(C[N@@H+](C)CCO)no1 49633980 537858533 /nfs/dbraw/zinc/85/85/33/537858533.db2.gz WMJYEOCTCMTBSH-UHFFFAOYSA-N 1 2 170.212 0.407 20 0 ACADLO Cn1cc(N)c2c[nH+]cnc21 75524746 537870277 /nfs/dbraw/zinc/87/02/77/537870277.db2.gz WJJWLNUPEKLUBN-UHFFFAOYSA-N 1 2 148.169 0.551 20 0 ACADLO CCCC(=O)[C@@H]1COCC[NH2+]1 78066101 537875798 /nfs/dbraw/zinc/87/57/98/537875798.db2.gz SVBCBJAVHHCXQZ-ZETCQYMHSA-N 1 2 157.213 0.344 20 0 ACADLO CCCC(=O)[C@H]1COCC[NH2+]1 78066104 537876234 /nfs/dbraw/zinc/87/62/34/537876234.db2.gz SVBCBJAVHHCXQZ-SSDOTTSWSA-N 1 2 157.213 0.344 20 0 ACADLO Cc1nccc([C@H]2COCC[NH2+]2)n1 82397136 537882397 /nfs/dbraw/zinc/88/23/97/537882397.db2.gz BDCLQQDXGYVILE-SECBINFHSA-N 1 2 179.223 0.446 20 0 ACADLO Cc1nccc([C@@H]2COCC[NH2+]2)n1 82397135 537883049 /nfs/dbraw/zinc/88/30/49/537883049.db2.gz BDCLQQDXGYVILE-VIFPVBQESA-N 1 2 179.223 0.446 20 0 ACADLO Cc1ccc([C@H]2CNC(=O)C[NH2+]2)cc1 84452021 537909154 /nfs/dbraw/zinc/90/91/54/537909154.db2.gz VXDSMQBGOCYBOG-SNVBAGLBSA-N 1 2 190.246 0.756 20 0 ACADLO Cc1ccc([C@@H]2CNC(=O)C[NH2+]2)cc1 84452019 537909870 /nfs/dbraw/zinc/90/98/70/537909870.db2.gz VXDSMQBGOCYBOG-JTQLQIEISA-N 1 2 190.246 0.756 20 0 ACADLO Cc1ccccc1[C@H]1CNC(=O)C[NH2+]1 84452023 537910711 /nfs/dbraw/zinc/91/07/11/537910711.db2.gz WPVAAZOONFRVRO-SNVBAGLBSA-N 1 2 190.246 0.756 20 0 ACADLO Cc1cccc([C@H]2CNC(=O)C[NH2+]2)c1 84452029 537910763 /nfs/dbraw/zinc/91/07/63/537910763.db2.gz NOSWARDNZLBIAN-SNVBAGLBSA-N 1 2 190.246 0.756 20 0 ACADLO Cc1ccccc1[C@@H]1CNC(=O)C[NH2+]1 84452022 537911351 /nfs/dbraw/zinc/91/13/51/537911351.db2.gz WPVAAZOONFRVRO-JTQLQIEISA-N 1 2 190.246 0.756 20 0 ACADLO Cc1cccc([C@@H]2CNC(=O)C[NH2+]2)c1 84452027 537912018 /nfs/dbraw/zinc/91/20/18/537912018.db2.gz NOSWARDNZLBIAN-JTQLQIEISA-N 1 2 190.246 0.756 20 0 ACADLO CCn1cc[nH+]c1Cn1cc(N)nn1 86491336 537929854 /nfs/dbraw/zinc/92/98/54/537929854.db2.gz LPCHYDSBGCDQKY-UHFFFAOYSA-N 1 2 192.226 0.125 20 0 ACADLO CC(C)[N@H+](CCO)Cc1nncn1C 94728099 537942742 /nfs/dbraw/zinc/94/27/42/537942742.db2.gz NNZDRXZZJOTCIL-UHFFFAOYSA-N 1 2 198.270 0.018 20 0 ACADLO CC(C)[N@@H+](CCO)Cc1nncn1C 94728099 537942747 /nfs/dbraw/zinc/94/27/47/537942747.db2.gz NNZDRXZZJOTCIL-UHFFFAOYSA-N 1 2 198.270 0.018 20 0 ACADLO C[C@H]1CN(c2cccc[nH+]2)C[C@@H]1O 101437570 537950162 /nfs/dbraw/zinc/95/01/62/537950162.db2.gz NJQYHOAWTIIXLO-IUCAKERBSA-N 1 2 178.235 0.899 20 0 ACADLO C[C@@H]1CN(c2cccc[nH+]2)C[C@@H]1O 101437568 537950334 /nfs/dbraw/zinc/95/03/34/537950334.db2.gz NJQYHOAWTIIXLO-BDAKNGLRSA-N 1 2 178.235 0.899 20 0 ACADLO CCc1nccc([C@H]2COCC[NH2+]2)n1 107287753 537958539 /nfs/dbraw/zinc/95/85/39/537958539.db2.gz CWPBIMMGGAYJKY-SECBINFHSA-N 1 2 193.250 0.700 20 0 ACADLO CCc1nccc([C@@H]2COCC[NH2+]2)n1 107287750 537958598 /nfs/dbraw/zinc/95/85/98/537958598.db2.gz CWPBIMMGGAYJKY-VIFPVBQESA-N 1 2 193.250 0.700 20 0 ACADLO COC(=O)[C@@]12C[C@@H]1CCC[NH2+]2 107117900 537959079 /nfs/dbraw/zinc/95/90/79/537959079.db2.gz QVNCCWHFPDLUHO-POYBYMJQSA-N 1 2 155.197 0.302 20 0 ACADLO COC(=O)[C@]12C[C@H]1CCC[NH2+]2 107117908 537959179 /nfs/dbraw/zinc/95/91/79/537959179.db2.gz QVNCCWHFPDLUHO-SVRRBLITSA-N 1 2 155.197 0.302 20 0 ACADLO CCCN1CC[NH+](CCOC)CC1 114604129 537967409 /nfs/dbraw/zinc/96/74/09/537967409.db2.gz MOANZBCNSVRNTK-UHFFFAOYSA-N 1 2 186.299 0.660 20 0 ACADLO COC(=O)CCn1c[nH+]c(N)c1 137278110 537990911 /nfs/dbraw/zinc/99/09/11/537990911.db2.gz BDFUMHGBEUOGSU-UHFFFAOYSA-N 1 2 169.184 0.028 20 0 ACADLO CCNC(=O)CCc1c[nH+]c[nH]1 141838733 537993914 /nfs/dbraw/zinc/99/39/14/537993914.db2.gz XQBUREJOXRLNFL-UHFFFAOYSA-N 1 2 167.212 0.478 20 0 ACADLO CCNC(=O)CCc1c[nH]c[nH+]1 141838733 537993921 /nfs/dbraw/zinc/99/39/21/537993921.db2.gz XQBUREJOXRLNFL-UHFFFAOYSA-N 1 2 167.212 0.478 20 0 ACADLO CN(CCC(N)=O)c1cccc[nH+]1 142346326 537994823 /nfs/dbraw/zinc/99/48/23/537994823.db2.gz SLGYHDCIOYQIPM-UHFFFAOYSA-N 1 2 179.223 0.393 20 0 ACADLO CC[NH2+]C1(C(=O)OC)CC1 145094415 537998287 /nfs/dbraw/zinc/99/82/87/537998287.db2.gz VWOMEMBBGYBUAR-UHFFFAOYSA-N 1 2 143.186 0.302 20 0 ACADLO c1n[nH]cc1C[NH+]1CCOCC1 146116988 537998746 /nfs/dbraw/zinc/99/87/46/537998746.db2.gz IEKVUNDBKRGWMW-UHFFFAOYSA-N 1 2 167.212 0.242 20 0 ACADLO CC(C)NC(=O)CCc1[nH]cc[nH+]1 145838082 537999149 /nfs/dbraw/zinc/99/91/49/537999149.db2.gz KHNWKTFDFPHUHB-UHFFFAOYSA-N 1 2 181.239 0.867 20 0 ACADLO C[N@H+](CCCO)Cc1ncc[nH]1 147597239 538002683 /nfs/dbraw/zinc/00/26/83/538002683.db2.gz MABHZVNNFMKHCD-UHFFFAOYSA-N 1 2 169.228 0.224 20 0 ACADLO C[N@@H+](CCCO)Cc1ncc[nH]1 147597239 538002688 /nfs/dbraw/zinc/00/26/88/538002688.db2.gz MABHZVNNFMKHCD-UHFFFAOYSA-N 1 2 169.228 0.224 20 0 ACADLO FC(F)CNCc1[nH]cc[nH+]1 147395003 538003008 /nfs/dbraw/zinc/00/30/08/538003008.db2.gz UIPOSVDKNVOASX-UHFFFAOYSA-N 1 2 161.155 0.764 20 0 ACADLO C[C@H](O)[C@H]1CC[N@H+](CC(F)F)C1 156868489 538014346 /nfs/dbraw/zinc/01/43/46/538014346.db2.gz PRKPDIRFUNJXFK-BQBZGAKWSA-N 1 2 179.210 0.954 20 0 ACADLO C[C@H](O)[C@H]1CC[N@@H+](CC(F)F)C1 156868489 538014352 /nfs/dbraw/zinc/01/43/52/538014352.db2.gz PRKPDIRFUNJXFK-BQBZGAKWSA-N 1 2 179.210 0.954 20 0 ACADLO C[C@H](O)[C@@H]1CC[N@H+](CC(F)F)C1 156868206 538014730 /nfs/dbraw/zinc/01/47/30/538014730.db2.gz PRKPDIRFUNJXFK-NKWVEPMBSA-N 1 2 179.210 0.954 20 0 ACADLO C[C@H](O)[C@@H]1CC[N@@H+](CC(F)F)C1 156868206 538014733 /nfs/dbraw/zinc/01/47/33/538014733.db2.gz PRKPDIRFUNJXFK-NKWVEPMBSA-N 1 2 179.210 0.954 20 0 ACADLO C[C@@H](O)[C@H]1CC[N@H+](CC(F)F)C1 156868620 538015035 /nfs/dbraw/zinc/01/50/35/538015035.db2.gz PRKPDIRFUNJXFK-RQJHMYQMSA-N 1 2 179.210 0.954 20 0 ACADLO C[C@@H](O)[C@H]1CC[N@@H+](CC(F)F)C1 156868620 538015039 /nfs/dbraw/zinc/01/50/39/538015039.db2.gz PRKPDIRFUNJXFK-RQJHMYQMSA-N 1 2 179.210 0.954 20 0 ACADLO C[C@@H](O)[C@@H]1CC[N@H+](CC(F)F)C1 156868333 538015427 /nfs/dbraw/zinc/01/54/27/538015427.db2.gz PRKPDIRFUNJXFK-RNFRBKRXSA-N 1 2 179.210 0.954 20 0 ACADLO C[C@@H](O)[C@@H]1CC[N@@H+](CC(F)F)C1 156868333 538015430 /nfs/dbraw/zinc/01/54/30/538015430.db2.gz PRKPDIRFUNJXFK-RNFRBKRXSA-N 1 2 179.210 0.954 20 0 ACADLO Cc1[nH]ncc1C[NH2+]C1(CO)CCC1 157492131 538022132 /nfs/dbraw/zinc/02/21/32/538022132.db2.gz UNEMRPAHDWJDHI-UHFFFAOYSA-N 1 2 195.266 0.723 20 0 ACADLO OCC1([NH2+]Cc2ccn[nH]2)CCC1 157496108 538025647 /nfs/dbraw/zinc/02/56/47/538025647.db2.gz SBHSZNIKICBANP-UHFFFAOYSA-N 1 2 181.239 0.414 20 0 ACADLO C[C@H](CO)[N@H+](C)Cc1nccs1 159150806 538029306 /nfs/dbraw/zinc/02/93/06/538029306.db2.gz CWODQDUJZFHCEZ-SSDOTTSWSA-N 1 2 186.280 0.956 20 0 ACADLO C[C@H](CO)[N@@H+](C)Cc1nccs1 159150806 538029312 /nfs/dbraw/zinc/02/93/12/538029312.db2.gz CWODQDUJZFHCEZ-SSDOTTSWSA-N 1 2 186.280 0.956 20 0 ACADLO C[C@H](CO)[N@H+](C)Cc1cscn1 159133142 538030123 /nfs/dbraw/zinc/03/01/23/538030123.db2.gz IKXMYRIINFDGNR-SSDOTTSWSA-N 1 2 186.280 0.956 20 0 ACADLO C[C@H](CO)[N@@H+](C)Cc1cscn1 159133142 538030131 /nfs/dbraw/zinc/03/01/31/538030131.db2.gz IKXMYRIINFDGNR-SSDOTTSWSA-N 1 2 186.280 0.956 20 0 ACADLO Cc1[nH]ncc1C[N@H+](C)CCO 159167126 538030517 /nfs/dbraw/zinc/03/05/17/538030517.db2.gz ZCIOGEACZJXVJX-UHFFFAOYSA-N 1 2 169.228 0.142 20 0 ACADLO Cc1[nH]ncc1C[N@@H+](C)CCO 159167126 538030519 /nfs/dbraw/zinc/03/05/19/538030519.db2.gz ZCIOGEACZJXVJX-UHFFFAOYSA-N 1 2 169.228 0.142 20 0 ACADLO C[C@H](CO)[N@H+](C)CC(F)F 159152014 538032015 /nfs/dbraw/zinc/03/20/15/538032015.db2.gz AKOHAYYDPGQAAQ-RXMQYKEDSA-N 1 2 153.172 0.564 20 0 ACADLO C[C@H](CO)[N@@H+](C)CC(F)F 159152014 538032021 /nfs/dbraw/zinc/03/20/21/538032021.db2.gz AKOHAYYDPGQAAQ-RXMQYKEDSA-N 1 2 153.172 0.564 20 0 ACADLO CC(C)OCC(=O)NCc1c[nH+]c[nH]1 162519818 538072465 /nfs/dbraw/zinc/07/24/65/538072465.db2.gz YNAMAMNOZULBMW-UHFFFAOYSA-N 1 2 197.238 0.451 20 0 ACADLO CC(C)OCC(=O)NCc1c[nH]c[nH+]1 162519818 538072470 /nfs/dbraw/zinc/07/24/70/538072470.db2.gz YNAMAMNOZULBMW-UHFFFAOYSA-N 1 2 197.238 0.451 20 0 ACADLO C[C@]1([NH2+]Cc2csnn2)CCOC1 162718004 538073345 /nfs/dbraw/zinc/07/33/45/538073345.db2.gz QCZHRTPZRCRWKV-QMMMGPOBSA-N 1 2 199.279 0.807 20 0 ACADLO C[C@@]1([NH2+]Cc2csnn2)CCOC1 162718117 538075228 /nfs/dbraw/zinc/07/52/28/538075228.db2.gz QCZHRTPZRCRWKV-MRVPVSSYSA-N 1 2 199.279 0.807 20 0 ACADLO OCC1([NH2+]Cc2csnn2)CCC1 162976200 538078318 /nfs/dbraw/zinc/07/83/18/538078318.db2.gz DWGCJVICDTZCQQ-UHFFFAOYSA-N 1 2 199.279 0.543 20 0 ACADLO C[C@H](O)C[C@@H](C)[NH2+]Cc1ccn[nH]1 164544307 538144315 /nfs/dbraw/zinc/14/43/15/538144315.db2.gz XJCCLGKTYDGCAS-SFYZADRCSA-N 1 2 183.255 0.659 20 0 ACADLO C[C@@H](O)C[C@@H](C)[NH2+]Cc1ccn[nH]1 164544080 538144528 /nfs/dbraw/zinc/14/45/28/538144528.db2.gz XJCCLGKTYDGCAS-HTQZYQBOSA-N 1 2 183.255 0.659 20 0 ACADLO C[C@@H](C[C@@H](C)O)[NH2+]Cc1ccn[nH]1 164543965 538144586 /nfs/dbraw/zinc/14/45/86/538144586.db2.gz XJCCLGKTYDGCAS-JGVFFNPUSA-N 1 2 183.255 0.659 20 0 ACADLO C[C@H](O)C[C@H](C)[NH2+]Cc1ccn[nH]1 164544187 538145104 /nfs/dbraw/zinc/14/51/04/538145104.db2.gz XJCCLGKTYDGCAS-YUMQZZPRSA-N 1 2 183.255 0.659 20 0 ACADLO Cc1nnc(-n2cc[nH+]c2)nc1C 164476806 538145947 /nfs/dbraw/zinc/14/59/47/538145947.db2.gz PCLCMIGFVUWAIH-UHFFFAOYSA-N 1 2 175.195 0.674 20 0 ACADLO C[C@H]1C[N@H+](CC(F)F)CC[C@@H]1O 164668278 538147577 /nfs/dbraw/zinc/14/75/77/538147577.db2.gz LRQCLLDJLJTRIM-BQBZGAKWSA-N 1 2 179.210 0.954 20 0 ACADLO C[C@H]1C[N@@H+](CC(F)F)CC[C@@H]1O 164668278 538147585 /nfs/dbraw/zinc/14/75/85/538147585.db2.gz LRQCLLDJLJTRIM-BQBZGAKWSA-N 1 2 179.210 0.954 20 0 ACADLO C[C@@H]1C[N@H+](CC(F)F)CC[C@@H]1O 164668161 538147717 /nfs/dbraw/zinc/14/77/17/538147717.db2.gz LRQCLLDJLJTRIM-RQJHMYQMSA-N 1 2 179.210 0.954 20 0 ACADLO C[C@@H]1C[N@@H+](CC(F)F)CC[C@@H]1O 164668161 538147722 /nfs/dbraw/zinc/14/77/22/538147722.db2.gz LRQCLLDJLJTRIM-RQJHMYQMSA-N 1 2 179.210 0.954 20 0 ACADLO CO[C@@H](C)[C@@H](C)[NH2+]Cc1ncn(C)n1 222754789 538194392 /nfs/dbraw/zinc/19/43/92/538194392.db2.gz BGIPUNGSRUMWCS-SFYZADRCSA-N 1 2 198.270 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/nfs/dbraw/zinc/22/06/03/538220603.db2.gz SUJHXHLFYCHLEM-BQBZGAKWSA-N 1 2 195.209 0.381 20 0 ACADLO COC[C@H](C)[NH2+]CC(F)(F)CO 231791938 538220845 /nfs/dbraw/zinc/22/08/45/538220845.db2.gz ZCLQLMYSHHFFRZ-LURJTMIESA-N 1 2 183.198 0.239 20 0 ACADLO C[C@H]1OCC[C@@H]1[NH2+]CC(F)(F)CO 231792525 538220898 /nfs/dbraw/zinc/22/08/98/538220898.db2.gz SUJHXHLFYCHLEM-RQJHMYQMSA-N 1 2 195.209 0.381 20 0 ACADLO OCC(F)(F)CNCc1[nH]cc[nH+]1 231777148 538220966 /nfs/dbraw/zinc/22/09/66/538220966.db2.gz HVJLXOAPDORBPD-UHFFFAOYSA-N 1 2 191.181 0.127 20 0 ACADLO OCC(F)(F)C[NH2+][C@H]1CCSC1 231792817 538220982 /nfs/dbraw/zinc/22/09/82/538220982.db2.gz MTROKYKKNVWLQL-LURJTMIESA-N 1 2 197.250 0.709 20 0 ACADLO OCC(F)(F)C[NH2+][C@@H]1CCSC1 231792813 538221105 /nfs/dbraw/zinc/22/11/05/538221105.db2.gz MTROKYKKNVWLQL-ZCFIWIBFSA-N 1 2 197.250 0.709 20 0 ACADLO CO[C@H](C)[C@@H](C)[NH2+]CC(F)(F)CO 231793279 538221478 /nfs/dbraw/zinc/22/14/78/538221478.db2.gz QAFKUAIFQIXIIN-RNFRBKRXSA-N 1 2 197.225 0.627 20 0 ACADLO CO[C@@H](C)[C@H](C)[NH2+]CC(F)(F)CO 231793281 538221604 /nfs/dbraw/zinc/22/16/04/538221604.db2.gz QAFKUAIFQIXIIN-BQBZGAKWSA-N 1 2 197.225 0.627 20 0 ACADLO COC[C@@H](C)[NH2+]CC(F)(F)CO 231791934 538221706 /nfs/dbraw/zinc/22/17/06/538221706.db2.gz ZCLQLMYSHHFFRZ-ZCFIWIBFSA-N 1 2 183.198 0.239 20 0 ACADLO C[C@@H]1OCC[C@H]1[NH2+]CC(F)(F)CO 231792528 538221949 /nfs/dbraw/zinc/22/19/49/538221949.db2.gz SUJHXHLFYCHLEM-NKWVEPMBSA-N 1 2 195.209 0.381 20 0 ACADLO C[C@H]1OCC[C@H]1[NH2+]CC(F)(F)CO 231792532 538222172 /nfs/dbraw/zinc/22/21/72/538222172.db2.gz SUJHXHLFYCHLEM-RNFRBKRXSA-N 1 2 195.209 0.381 20 0 ACADLO CC[C@@H](COC)[NH2+]CC(F)(F)CO 231793106 538222214 /nfs/dbraw/zinc/22/22/14/538222214.db2.gz SAHNRFBJKSOECM-ZETCQYMHSA-N 1 2 197.225 0.629 20 0 ACADLO CO[C@@H](C)[C@@H](C)[NH2+]CC(F)(F)CO 231793277 538222316 /nfs/dbraw/zinc/22/23/16/538222316.db2.gz QAFKUAIFQIXIIN-RQJHMYQMSA-N 1 2 197.225 0.627 20 0 ACADLO CCOC[C@@H](C)[NH2+]CC(F)(F)CO 231793056 538222331 /nfs/dbraw/zinc/22/23/31/538222331.db2.gz UGKFGDQYCBQINX-SSDOTTSWSA-N 1 2 197.225 0.629 20 0 ACADLO CO[C@H](C)[C@H](C)[NH2+]CC(F)(F)CO 231793284 538222349 /nfs/dbraw/zinc/22/23/49/538222349.db2.gz QAFKUAIFQIXIIN-NKWVEPMBSA-N 1 2 197.225 0.627 20 0 ACADLO CCOC[C@H](C)[NH2+]CC(F)(F)CO 231793058 538222364 /nfs/dbraw/zinc/22/23/64/538222364.db2.gz UGKFGDQYCBQINX-ZETCQYMHSA-N 1 2 197.225 0.629 20 0 ACADLO Cc1cc(N[C@@H]2CNC(=O)C2)nc[nH+]1 232180492 538224331 /nfs/dbraw/zinc/22/43/31/538224331.db2.gz ZVMTVIQEQBXECH-ZETCQYMHSA-N 1 2 192.222 0.085 20 0 ACADLO Cc1nc(N[C@H]2CNC(=O)C2)cc[nH+]1 232180751 538224884 /nfs/dbraw/zinc/22/48/84/538224884.db2.gz WBLFMHGIAMYABO-SSDOTTSWSA-N 1 2 192.222 0.085 20 0 ACADLO Cc1nc(N[C@@H]2CNC(=O)C2)cc[nH+]1 232180748 538225250 /nfs/dbraw/zinc/22/52/50/538225250.db2.gz WBLFMHGIAMYABO-ZETCQYMHSA-N 1 2 192.222 0.085 20 0 ACADLO Cc1cc(N[C@H]2CNC(=O)C2)nc[nH+]1 232180494 538225380 /nfs/dbraw/zinc/22/53/80/538225380.db2.gz ZVMTVIQEQBXECH-SSDOTTSWSA-N 1 2 192.222 0.085 20 0 ACADLO Cc1nc(C[NH2+][C@H](CO)C(C)C)no1 232692249 538226693 /nfs/dbraw/zinc/22/66/93/538226693.db2.gz LWTKPIUHGLCHGB-MRVPVSSYSA-N 1 2 199.254 0.485 20 0 ACADLO CCC(=O)CCC[N@@H+]1CCNC(=O)C1 232858823 538228035 /nfs/dbraw/zinc/22/80/35/538228035.db2.gz FFZZBGDRMSHQJF-UHFFFAOYSA-N 1 2 198.266 0.178 20 0 ACADLO CCC(=O)CCC[N@H+]1CCNC(=O)C1 232858823 538228040 /nfs/dbraw/zinc/22/80/40/538228040.db2.gz FFZZBGDRMSHQJF-UHFFFAOYSA-N 1 2 198.266 0.178 20 0 ACADLO CN(Cc1[nH]cc[nH+]1)C(=O)C(C)(C)O 234323556 538240260 /nfs/dbraw/zinc/24/02/60/538240260.db2.gz RBGYVERZXWURDT-UHFFFAOYSA-N 1 2 197.238 0.139 20 0 ACADLO COC[C@H](CO)Nc1cc[nH+]c(C)n1 234852556 538240995 /nfs/dbraw/zinc/24/09/95/538240995.db2.gz WWSUPFXOJLTORD-QMMMGPOBSA-N 1 2 197.238 0.204 20 0 ACADLO COC[C@H](CO)Nc1cccc[nH+]1 234852165 538241820 /nfs/dbraw/zinc/24/18/20/538241820.db2.gz WGZMURLLDCEVFO-QMMMGPOBSA-N 1 2 182.223 0.501 20 0 ACADLO COC[C@@H](CO)Nc1cc[nH+]c(C)n1 234909467 538243037 /nfs/dbraw/zinc/24/30/37/538243037.db2.gz WWSUPFXOJLTORD-MRVPVSSYSA-N 1 2 197.238 0.204 20 0 ACADLO COC[C@H](CO)Nc1cc(C)[nH+]cn1 234847412 538243747 /nfs/dbraw/zinc/24/37/47/538243747.db2.gz QDMRCNMLBJBNMQ-QMMMGPOBSA-N 1 2 197.238 0.204 20 0 ACADLO COC[C@@H](CO)Nc1cccc[nH+]1 234909215 538244235 /nfs/dbraw/zinc/24/42/35/538244235.db2.gz WGZMURLLDCEVFO-MRVPVSSYSA-N 1 2 182.223 0.501 20 0 ACADLO COC[C@@H](CO)Nc1cc(C)[nH+]cn1 234906607 538244261 /nfs/dbraw/zinc/24/42/61/538244261.db2.gz QDMRCNMLBJBNMQ-MRVPVSSYSA-N 1 2 197.238 0.204 20 0 ACADLO Cc1nc(NCCCCO)cc[nH+]1 235789176 538245267 /nfs/dbraw/zinc/24/52/67/538245267.db2.gz ZVGPANDKEWVGFR-UHFFFAOYSA-N 1 2 181.239 0.969 20 0 ACADLO Cc1cc(NCCCCO)nc[nH+]1 235772708 538248364 /nfs/dbraw/zinc/24/83/64/538248364.db2.gz JVWILROHSVHUET-UHFFFAOYSA-N 1 2 181.239 0.969 20 0 ACADLO OCCCC[NH2+]Cc1ccn[nH]1 236499378 538250247 /nfs/dbraw/zinc/25/02/47/538250247.db2.gz XWQGRVCHHLGUSG-UHFFFAOYSA-N 1 2 169.228 0.272 20 0 ACADLO CCC[NH+](CCC)Cc1n[nH]c(=O)[nH]1 238242609 538253608 /nfs/dbraw/zinc/25/36/08/538253608.db2.gz WENCYJZEEKRBDB-UHFFFAOYSA-N 1 2 198.270 0.720 20 0 ACADLO C[C@@H]1C[N@H+](CC(F)F)CC[C@H]1O 253283013 538283025 /nfs/dbraw/zinc/28/30/25/538283025.db2.gz LRQCLLDJLJTRIM-RNFRBKRXSA-N 1 2 179.210 0.954 20 0 ACADLO C[C@@H]1C[N@@H+](CC(F)F)CC[C@H]1O 253283013 538283031 /nfs/dbraw/zinc/28/30/31/538283031.db2.gz LRQCLLDJLJTRIM-RNFRBKRXSA-N 1 2 179.210 0.954 20 0 ACADLO C[C@H]1C[N@H+](CC(F)F)CC[C@H]1O 253283012 538283344 /nfs/dbraw/zinc/28/33/44/538283344.db2.gz LRQCLLDJLJTRIM-NKWVEPMBSA-N 1 2 179.210 0.954 20 0 ACADLO C[C@H]1C[N@@H+](CC(F)F)CC[C@H]1O 253283012 538283350 /nfs/dbraw/zinc/28/33/50/538283350.db2.gz LRQCLLDJLJTRIM-NKWVEPMBSA-N 1 2 179.210 0.954 20 0 ACADLO Cn1c[nH+]c(CN2CCOCC2)c1 258250838 538287416 /nfs/dbraw/zinc/28/74/16/538287416.db2.gz RHNBCOYIONFGRA-UHFFFAOYSA-N 1 2 181.239 0.252 20 0 ACADLO CCN(C)c1nc(N)[nH+]c(C2CC2)n1 306294769 538302450 /nfs/dbraw/zinc/30/24/50/538302450.db2.gz FLDNPRROFPEGEP-UHFFFAOYSA-N 1 2 193.254 0.787 20 0 ACADLO CCN(C)c1nc(N)nc(C2CC2)[nH+]1 306294769 538302452 /nfs/dbraw/zinc/30/24/52/538302452.db2.gz FLDNPRROFPEGEP-UHFFFAOYSA-N 1 2 193.254 0.787 20 0 ACADLO Nc1[nH+]cccc1[C@@H](O)c1cn[nH]c1 306377825 538303501 /nfs/dbraw/zinc/30/35/01/538303501.db2.gz LZZYFSFXNLFMIG-QMMMGPOBSA-N 1 2 190.206 0.469 20 0 ACADLO Nc1[nH+]cccc1[C@H](O)c1cn[nH]c1 306377824 538304347 /nfs/dbraw/zinc/30/43/47/538304347.db2.gz LZZYFSFXNLFMIG-MRVPVSSYSA-N 1 2 190.206 0.469 20 0 ACADLO C[C@H]1Cc2[nH+]c(NN)ncc2[C@H](C)O1 306827647 538311103 /nfs/dbraw/zinc/31/11/03/538311103.db2.gz HMXZZHNFDFIFJW-WDSKDSINSA-N 1 2 194.238 0.784 20 0 ACADLO C[C@@H]1O[C@H](C)Cc2[nH+]c(NN)ncc21 306827646 538311334 /nfs/dbraw/zinc/31/13/34/538311334.db2.gz HMXZZHNFDFIFJW-RITPCOANSA-N 1 2 194.238 0.784 20 0 ACADLO C[C@H]1Cc2[nH+]c(NN)ncc2[C@@H](C)O1 306827644 538311694 /nfs/dbraw/zinc/31/16/94/538311694.db2.gz HMXZZHNFDFIFJW-NTSWFWBYSA-N 1 2 194.238 0.784 20 0 ACADLO C[C@@H]1Cc2[nH+]c(NN)ncc2[C@@H](C)O1 306827645 538311723 /nfs/dbraw/zinc/31/17/23/538311723.db2.gz HMXZZHNFDFIFJW-PHDIDXHHSA-N 1 2 194.238 0.784 20 0 ACADLO OCc1csc(C[NH+]2CCC2)n1 307430580 538316218 /nfs/dbraw/zinc/31/62/18/538316218.db2.gz KFBLCGQDJNFSRE-UHFFFAOYSA-N 1 2 184.264 0.841 20 0 ACADLO C[NH+](C)Cc1nc([C@@H]2CCCO2)no1 350650022 538329396 /nfs/dbraw/zinc/32/93/96/538329396.db2.gz JZDFJHDXMARZFE-ZETCQYMHSA-N 1 2 197.238 0.983 20 0 ACADLO C[NH+](C)Cc1nc([C@H]2CCCO2)no1 350650021 538330018 /nfs/dbraw/zinc/33/00/18/538330018.db2.gz JZDFJHDXMARZFE-SSDOTTSWSA-N 1 2 197.238 0.983 20 0 ACADLO COCc1noc(C[N@H+](C)C2CC2)n1 349846057 538331669 /nfs/dbraw/zinc/33/16/69/538331669.db2.gz PTPPYXPMBMLZKE-UHFFFAOYSA-N 1 2 197.238 0.810 20 0 ACADLO COCc1noc(C[N@@H+](C)C2CC2)n1 349846057 538331674 /nfs/dbraw/zinc/33/16/74/538331674.db2.gz PTPPYXPMBMLZKE-UHFFFAOYSA-N 1 2 197.238 0.810 20 0 ACADLO C[C@H](CO)[N@H+](C)Cc1ccon1 379313161 538337970 /nfs/dbraw/zinc/33/79/70/538337970.db2.gz FLLBKOOAPWHMFK-SSDOTTSWSA-N 1 2 170.212 0.487 20 0 ACADLO C[C@H](CO)[N@@H+](C)Cc1ccon1 379313161 538337974 /nfs/dbraw/zinc/33/79/74/538337974.db2.gz FLLBKOOAPWHMFK-SSDOTTSWSA-N 1 2 170.212 0.487 20 0 ACADLO CCC[N@H+](C)Cc1n[nH]c(=O)[nH]1 379316300 538340461 /nfs/dbraw/zinc/34/04/61/538340461.db2.gz XZDVFGFTUSVXCD-UHFFFAOYSA-N 1 2 170.216 0.352 20 0 ACADLO CCC[N@@H+](C)Cc1n[nH]c(=O)[nH]1 379316300 538340466 /nfs/dbraw/zinc/34/04/66/538340466.db2.gz XZDVFGFTUSVXCD-UHFFFAOYSA-N 1 2 170.216 0.352 20 0 ACADLO C[C@H](O)C[N@H+](C)Cc1csnn1 379317280 538340942 /nfs/dbraw/zinc/34/09/42/538340942.db2.gz FBZBLWBNUBKYAZ-LURJTMIESA-N 1 2 187.268 0.351 20 0 ACADLO C[C@H](O)C[N@@H+](C)Cc1csnn1 379317280 538340949 /nfs/dbraw/zinc/34/09/49/538340949.db2.gz FBZBLWBNUBKYAZ-LURJTMIESA-N 1 2 187.268 0.351 20 0 ACADLO C[C@H](CF)[NH2+]Cc1ccn(C)n1 379316763 538341644 /nfs/dbraw/zinc/34/16/44/538341644.db2.gz BQQQYWOECLDTBN-SSDOTTSWSA-N 1 2 171.219 0.868 20 0 ACADLO Cc1noc([C@@H](C)[NH2+]CCF)n1 379322602 538344056 /nfs/dbraw/zinc/34/40/56/538344056.db2.gz KEALIBPWQUBGCV-RXMQYKEDSA-N 1 2 173.191 0.998 20 0 ACADLO Cc1noc([C@H](C)[NH2+]CCF)n1 379322603 538345251 /nfs/dbraw/zinc/34/52/51/538345251.db2.gz KEALIBPWQUBGCV-YFKPBYRVSA-N 1 2 173.191 0.998 20 0 ACADLO CO[C@@H](C)COCc1[nH]cc[nH+]1 379335613 538353868 /nfs/dbraw/zinc/35/38/68/538353868.db2.gz UWDZQZXQXVKFBW-ZETCQYMHSA-N 1 2 170.212 0.961 20 0 ACADLO CO[C@H](C)COCc1[nH]cc[nH+]1 379335610 538354668 /nfs/dbraw/zinc/35/46/68/538354668.db2.gz UWDZQZXQXVKFBW-SSDOTTSWSA-N 1 2 170.212 0.961 20 0 ACADLO CCC[N@@H+](CC)Cc1n[nH]c(=O)[nH]1 379357400 538359340 /nfs/dbraw/zinc/35/93/40/538359340.db2.gz RDMFTXPVQDIFDM-UHFFFAOYSA-N 1 2 184.243 0.742 20 0 ACADLO CCOCC[N@H+](C)Cc1cnc[nH]1 379356064 538359495 /nfs/dbraw/zinc/35/94/95/538359495.db2.gz NBXQNKBPBKYJKO-UHFFFAOYSA-N 1 2 183.255 0.878 20 0 ACADLO CCOCC[N@@H+](C)Cc1cnc[nH]1 379356064 538359498 /nfs/dbraw/zinc/35/94/98/538359498.db2.gz NBXQNKBPBKYJKO-UHFFFAOYSA-N 1 2 183.255 0.878 20 0 ACADLO CCOCC[N@H+](C)Cc1c[nH]cn1 379356064 538359504 /nfs/dbraw/zinc/35/95/04/538359504.db2.gz NBXQNKBPBKYJKO-UHFFFAOYSA-N 1 2 183.255 0.878 20 0 ACADLO CCOCC[N@@H+](C)Cc1c[nH]cn1 379356064 538359509 /nfs/dbraw/zinc/35/95/09/538359509.db2.gz NBXQNKBPBKYJKO-UHFFFAOYSA-N 1 2 183.255 0.878 20 0 ACADLO CCn1ncnc1C[N@H+](C)C1CC1 379359603 538363507 /nfs/dbraw/zinc/36/35/07/538363507.db2.gz ZEOLSINCCXLUEW-UHFFFAOYSA-N 1 2 180.255 0.892 20 0 ACADLO CCn1ncnc1C[N@@H+](C)C1CC1 379359603 538363510 /nfs/dbraw/zinc/36/35/10/538363510.db2.gz ZEOLSINCCXLUEW-UHFFFAOYSA-N 1 2 180.255 0.892 20 0 ACADLO CCNC(=O)COc1cc[nH+]cc1 379360773 538363685 /nfs/dbraw/zinc/36/36/85/538363685.db2.gz CTLKJXSQNFTJLC-UHFFFAOYSA-N 1 2 180.207 0.597 20 0 ACADLO O=C(CCn1cc[nH+]c1)NCCF 379365324 538366614 /nfs/dbraw/zinc/36/66/14/538366614.db2.gz ORIRNGJDSVWXBN-UHFFFAOYSA-N 1 2 185.202 0.359 20 0 ACADLO c1cc(CNCC[NH+]2CCC2)n[nH]1 379378867 538371969 /nfs/dbraw/zinc/37/19/69/538371969.db2.gz AYYJNTSZPLHIRJ-UHFFFAOYSA-N 1 2 180.255 0.205 20 0 ACADLO Cc1cnc([C@@H](C)[N@H+](C)CCO)o1 379379721 538374542 /nfs/dbraw/zinc/37/45/42/538374542.db2.gz BFBZOOULERRMOJ-MRVPVSSYSA-N 1 2 184.239 0.968 20 0 ACADLO Cc1cnc([C@@H](C)[N@@H+](C)CCO)o1 379379721 538374547 /nfs/dbraw/zinc/37/45/47/538374547.db2.gz BFBZOOULERRMOJ-MRVPVSSYSA-N 1 2 184.239 0.968 20 0 ACADLO CCOCC[C@@H](O)Cn1cc[nH+]c1 379380747 538374595 /nfs/dbraw/zinc/37/45/95/538374595.db2.gz FPXGDBDGTJILIG-SECBINFHSA-N 1 2 184.239 0.671 20 0 ACADLO Cc1cnc([C@H](C)[N@H+](C)CCO)o1 379379722 538375170 /nfs/dbraw/zinc/37/51/70/538375170.db2.gz BFBZOOULERRMOJ-QMMMGPOBSA-N 1 2 184.239 0.968 20 0 ACADLO Cc1cnc([C@H](C)[N@@H+](C)CCO)o1 379379722 538375178 /nfs/dbraw/zinc/37/51/78/538375178.db2.gz BFBZOOULERRMOJ-QMMMGPOBSA-N 1 2 184.239 0.968 20 0 ACADLO CCOCC[C@H](O)Cn1cc[nH+]c1 379380751 538376039 /nfs/dbraw/zinc/37/60/39/538376039.db2.gz FPXGDBDGTJILIG-VIFPVBQESA-N 1 2 184.239 0.671 20 0 ACADLO C[N@H+](Cc1cnn[nH]1)CC(C)(C)O 379383605 538376371 /nfs/dbraw/zinc/37/63/71/538376371.db2.gz GIEVEZHPKMTLGU-UHFFFAOYSA-N 1 2 184.243 0.007 20 0 ACADLO C[N@@H+](Cc1cnn[nH]1)CC(C)(C)O 379383605 538376376 /nfs/dbraw/zinc/37/63/76/538376376.db2.gz GIEVEZHPKMTLGU-UHFFFAOYSA-N 1 2 184.243 0.007 20 0 ACADLO C[N@H+](Cc1c[nH]nn1)CC(C)(C)O 379383605 538376382 /nfs/dbraw/zinc/37/63/82/538376382.db2.gz GIEVEZHPKMTLGU-UHFFFAOYSA-N 1 2 184.243 0.007 20 0 ACADLO C[N@@H+](Cc1c[nH]nn1)CC(C)(C)O 379383605 538376387 /nfs/dbraw/zinc/37/63/87/538376387.db2.gz GIEVEZHPKMTLGU-UHFFFAOYSA-N 1 2 184.243 0.007 20 0 ACADLO C[N@H+](Cc1cn[nH]n1)CC(C)(C)O 379383605 538376394 /nfs/dbraw/zinc/37/63/94/538376394.db2.gz GIEVEZHPKMTLGU-UHFFFAOYSA-N 1 2 184.243 0.007 20 0 ACADLO C[N@@H+](Cc1cn[nH]n1)CC(C)(C)O 379383605 538376400 /nfs/dbraw/zinc/37/64/00/538376400.db2.gz GIEVEZHPKMTLGU-UHFFFAOYSA-N 1 2 184.243 0.007 20 0 ACADLO CC(=O)N(C)CCCn1cc[nH+]c1 379382066 538378676 /nfs/dbraw/zinc/37/86/76/538378676.db2.gz DORDDUKULOUIBN-UHFFFAOYSA-N 1 2 181.239 0.752 20 0 ACADLO CCN(C)C(=O)CCc1[nH]cc[nH+]1 379386740 538381486 /nfs/dbraw/zinc/38/14/86/538381486.db2.gz YQEOQRQELMQWCO-UHFFFAOYSA-N 1 2 181.239 0.821 20 0 ACADLO CCN(C)C(=O)CCc1c[nH+]c[nH]1 379386802 538382971 /nfs/dbraw/zinc/38/29/71/538382971.db2.gz YWWCLYZACMSMFV-UHFFFAOYSA-N 1 2 181.239 0.821 20 0 ACADLO CCN(C)C(=O)CCc1c[nH]c[nH+]1 379386802 538382974 /nfs/dbraw/zinc/38/29/74/538382974.db2.gz YWWCLYZACMSMFV-UHFFFAOYSA-N 1 2 181.239 0.821 20 0 ACADLO c1snnc1C[NH2+]CCN1CCC1 379390074 538384217 /nfs/dbraw/zinc/38/42/17/538384217.db2.gz MXJNAPTZWZEGOF-UHFFFAOYSA-N 1 2 198.295 0.333 20 0 ACADLO COCC[N@H+](C)Cc1cn[nH]c1C 379399002 538390244 /nfs/dbraw/zinc/39/02/44/538390244.db2.gz GGHBVQOOINZUEE-UHFFFAOYSA-N 1 2 183.255 0.796 20 0 ACADLO COCC[N@@H+](C)Cc1cn[nH]c1C 379399002 538390251 /nfs/dbraw/zinc/39/02/51/538390251.db2.gz GGHBVQOOINZUEE-UHFFFAOYSA-N 1 2 183.255 0.796 20 0 ACADLO CNC(=O)CCC[N@H+](C)CC(F)F 379401794 538394269 /nfs/dbraw/zinc/39/42/69/538394269.db2.gz LNVUQXLWLLAXNT-UHFFFAOYSA-N 1 2 194.225 0.710 20 0 ACADLO CNC(=O)CCC[N@@H+](C)CC(F)F 379401794 538394271 /nfs/dbraw/zinc/39/42/71/538394271.db2.gz LNVUQXLWLLAXNT-UHFFFAOYSA-N 1 2 194.225 0.710 20 0 ACADLO CCc1cc(N)nc(SCCO)[nH+]1 379402346 538394493 /nfs/dbraw/zinc/39/44/93/538394493.db2.gz MVXBEXGJHFWVSF-UHFFFAOYSA-N 1 2 199.279 0.536 20 0 ACADLO c1c[nH+]c(COC[C@@H]2CCOC2)[nH]1 379410347 538403694 /nfs/dbraw/zinc/40/36/94/538403694.db2.gz FXLQBRWDOOMCPB-MRVPVSSYSA-N 1 2 182.223 0.963 20 0 ACADLO c1c[nH+]c(COC[C@H]2CCOC2)[nH]1 379410401 538403911 /nfs/dbraw/zinc/40/39/11/538403911.db2.gz FXLQBRWDOOMCPB-QMMMGPOBSA-N 1 2 182.223 0.963 20 0 ACADLO CCCNC(=O)CCc1[nH]cc[nH+]1 379418318 538409945 /nfs/dbraw/zinc/40/99/45/538409945.db2.gz VVWHAXNERKIZFP-UHFFFAOYSA-N 1 2 181.239 0.869 20 0 ACADLO CC(C)C[N@H+](C)Cc1n[nH]c(=O)[nH]1 379420222 538410804 /nfs/dbraw/zinc/41/08/04/538410804.db2.gz ZYWQFIGGRVWWBE-UHFFFAOYSA-N 1 2 184.243 0.598 20 0 ACADLO CC(C)C[N@@H+](C)Cc1n[nH]c(=O)[nH]1 379420222 538410806 /nfs/dbraw/zinc/41/08/06/538410806.db2.gz ZYWQFIGGRVWWBE-UHFFFAOYSA-N 1 2 184.243 0.598 20 0 ACADLO CO[C@@H](C)C[NH2+][C@@H](C)c1ncn(C)n1 379564333 538414520 /nfs/dbraw/zinc/41/45/20/538414520.db2.gz AVRWKDHJUDKGFN-YUMQZZPRSA-N 1 2 198.270 0.501 20 0 ACADLO CO[C@H](C)C[NH2+][C@@H](C)c1ncn(C)n1 379564331 538414650 /nfs/dbraw/zinc/41/46/50/538414650.db2.gz AVRWKDHJUDKGFN-SFYZADRCSA-N 1 2 198.270 0.501 20 0 ACADLO CO[C@H](C)C[NH2+][C@H](C)c1ncn(C)n1 379564325 538415051 /nfs/dbraw/zinc/41/50/51/538415051.db2.gz AVRWKDHJUDKGFN-HTQZYQBOSA-N 1 2 198.270 0.501 20 0 ACADLO CO[C@@H](C)C[NH2+][C@H](C)c1ncn(C)n1 379564326 538415385 /nfs/dbraw/zinc/41/53/85/538415385.db2.gz AVRWKDHJUDKGFN-JGVFFNPUSA-N 1 2 198.270 0.501 20 0 ACADLO CC=CC[C@H](CO)[NH2+]Cc1ccn[nH]1 379583660 538417850 /nfs/dbraw/zinc/41/78/50/538417850.db2.gz NJQAXHNZXUMGFO-VMZHVLLKSA-N 1 2 195.266 0.826 20 0 ACADLO COCC1([NH2+]Cc2cn[nH]c2C)CC1 379589101 538417918 /nfs/dbraw/zinc/41/79/18/538417918.db2.gz UXBYALAFFXUEKK-UHFFFAOYSA-N 1 2 195.266 0.987 20 0 ACADLO CC=CC[C@@H](CO)[NH2+]Cc1ccn[nH]1 379583662 538418453 /nfs/dbraw/zinc/41/84/53/538418453.db2.gz NJQAXHNZXUMGFO-ZMWSMAPVSA-N 1 2 195.266 0.826 20 0 ACADLO CC=CC[C@@H](CO)[NH2+]Cc1ccn[nH]1 379583659 538418916 /nfs/dbraw/zinc/41/89/16/538418916.db2.gz NJQAXHNZXUMGFO-PBKGFPTLSA-N 1 2 195.266 0.826 20 0 ACADLO CC=CC[C@H](CO)[NH2+]Cc1ccn[nH]1 379583658 538418931 /nfs/dbraw/zinc/41/89/31/538418931.db2.gz NJQAXHNZXUMGFO-MXQLGCADSA-N 1 2 195.266 0.826 20 0 ACADLO CC(C)(C)[C@@H](CO)[NH2+]Cc1ccn[nH]1 379613876 538423388 /nfs/dbraw/zinc/42/33/88/538423388.db2.gz XDEUSULIMSLTGC-SECBINFHSA-N 1 2 197.282 0.906 20 0 ACADLO O=c1[nH]nc(C[NH2+]C2(C3CC3)CC2)[nH]1 379625929 538424620 /nfs/dbraw/zinc/42/46/20/538424620.db2.gz KALJYUCBZAJFPJ-UHFFFAOYSA-N 1 2 194.238 0.543 20 0 ACADLO OC1(CC[NH2+]Cc2ccn[nH]2)CCC1 379640449 538425012 /nfs/dbraw/zinc/42/50/12/538425012.db2.gz UNZGPYKNOKJURN-UHFFFAOYSA-N 1 2 195.266 0.804 20 0 ACADLO CO[C@H](C)C(=O)NCc1[nH]c[nH+]c1C 380072874 538427270 /nfs/dbraw/zinc/42/72/70/538427270.db2.gz CJEAJAPDPXGYGL-SSDOTTSWSA-N 1 2 197.238 0.369 20 0 ACADLO CO[C@@H](C)C(=O)NCc1[nH]c[nH+]c1C 380072875 538427316 /nfs/dbraw/zinc/42/73/16/538427316.db2.gz CJEAJAPDPXGYGL-ZETCQYMHSA-N 1 2 197.238 0.369 20 0 ACADLO OCCCN(CCO)c1cccc[nH+]1 385706676 538428469 /nfs/dbraw/zinc/42/84/69/538428469.db2.gz JRFUFECBWPUIOX-UHFFFAOYSA-N 1 2 196.250 0.263 20 0 ACADLO Cc1nc(C[N@H+](C)CCCCO)no1 384856696 538428831 /nfs/dbraw/zinc/42/88/31/538428831.db2.gz FTEDFBLVXOIIJF-UHFFFAOYSA-N 1 2 199.254 0.582 20 0 ACADLO Cc1nc(C[N@@H+](C)CCCCO)no1 384856696 538428832 /nfs/dbraw/zinc/42/88/32/538428832.db2.gz FTEDFBLVXOIIJF-UHFFFAOYSA-N 1 2 199.254 0.582 20 0 ACADLO Cc1noc(C[N@H+](C)CCCCO)n1 384860071 538429047 /nfs/dbraw/zinc/42/90/47/538429047.db2.gz JJYNWFDABYBYPC-UHFFFAOYSA-N 1 2 199.254 0.582 20 0 ACADLO Cc1noc(C[N@@H+](C)CCCCO)n1 384860071 538429049 /nfs/dbraw/zinc/42/90/49/538429049.db2.gz JJYNWFDABYBYPC-UHFFFAOYSA-N 1 2 199.254 0.582 20 0 ACADLO CCc1nnc(C[N@H+](C)C2CC2)[nH]1 388278189 538430867 /nfs/dbraw/zinc/43/08/67/538430867.db2.gz KIGCIRHZHFBBSW-UHFFFAOYSA-N 1 2 180.255 0.961 20 0 ACADLO CCc1nnc(C[N@@H+](C)C2CC2)[nH]1 388278189 538430868 /nfs/dbraw/zinc/43/08/68/538430868.db2.gz KIGCIRHZHFBBSW-UHFFFAOYSA-N 1 2 180.255 0.961 20 0 ACADLO CC[NH+](CC)Cc1nnn(C)n1 388082013 538429744 /nfs/dbraw/zinc/42/97/44/538429744.db2.gz OYSGBWYISZMAPJ-UHFFFAOYSA-N 1 2 169.232 0.052 20 0 ACADLO OCCCOCc1[nH]cc[nH+]1 388042574 538429747 /nfs/dbraw/zinc/42/97/47/538429747.db2.gz QNKOWFYBEIDFEH-UHFFFAOYSA-N 1 2 156.185 0.309 20 0 ACADLO Cc1nc(C(C)(C)[NH2+]CCO)no1 388315094 538431311 /nfs/dbraw/zinc/43/13/11/538431311.db2.gz UMLTWFUDKAPTGB-UHFFFAOYSA-N 1 2 185.227 0.195 20 0 ACADLO C[N@H+](Cc1cnc[nH]1)C1(CO)CC1 388580671 538433408 /nfs/dbraw/zinc/43/34/08/538433408.db2.gz DUQHCLUSRQULIM-UHFFFAOYSA-N 1 2 181.239 0.366 20 0 ACADLO C[N@@H+](Cc1cnc[nH]1)C1(CO)CC1 388580671 538433409 /nfs/dbraw/zinc/43/34/09/538433409.db2.gz DUQHCLUSRQULIM-UHFFFAOYSA-N 1 2 181.239 0.366 20 0 ACADLO C[C@@H]1C[C@H]1C[N@@H+](C)Cc1nnc[nH]1 388585477 538433855 /nfs/dbraw/zinc/43/38/55/538433855.db2.gz HRGVWXTZDGVUJB-SFYZADRCSA-N 1 2 180.255 0.893 20 0 ACADLO C[C@@H]1C[C@H]1C[N@H+](C)Cc1nnc[nH]1 388585477 538433854 /nfs/dbraw/zinc/43/38/54/538433854.db2.gz HRGVWXTZDGVUJB-SFYZADRCSA-N 1 2 180.255 0.893 20 0 ACADLO C[N@H+](CCCCF)Cc1nnc[nH]1 388590632 538433929 /nfs/dbraw/zinc/43/39/29/538433929.db2.gz LHXOCTCCDCALKP-UHFFFAOYSA-N 1 2 186.234 0.986 20 0 ACADLO C[N@@H+](CCCCF)Cc1nnc[nH]1 388590632 538433930 /nfs/dbraw/zinc/43/39/30/538433930.db2.gz LHXOCTCCDCALKP-UHFFFAOYSA-N 1 2 186.234 0.986 20 0 ACADLO C[C@H]1C[C@@H]1C[N@H+](C)Cc1nnc[nH]1 388585476 538434109 /nfs/dbraw/zinc/43/41/09/538434109.db2.gz HRGVWXTZDGVUJB-JGVFFNPUSA-N 1 2 180.255 0.893 20 0 ACADLO C[C@H]1C[C@@H]1C[N@@H+](C)Cc1nnc[nH]1 388585476 538434110 /nfs/dbraw/zinc/43/41/10/538434110.db2.gz HRGVWXTZDGVUJB-JGVFFNPUSA-N 1 2 180.255 0.893 20 0 ACADLO C[C@@H]1C[C@@H]1C[N@H+](C)Cc1nnc[nH]1 388585475 538434292 /nfs/dbraw/zinc/43/42/92/538434292.db2.gz HRGVWXTZDGVUJB-HTQZYQBOSA-N 1 2 180.255 0.893 20 0 ACADLO C[C@@H]1C[C@@H]1C[N@@H+](C)Cc1nnc[nH]1 388585475 538434295 /nfs/dbraw/zinc/43/42/95/538434295.db2.gz HRGVWXTZDGVUJB-HTQZYQBOSA-N 1 2 180.255 0.893 20 0 ACADLO CNC(=O)[C@H](C)C[N@H+](C)CC(F)F 388598448 538434447 /nfs/dbraw/zinc/43/44/47/538434447.db2.gz DSJMQUFFECEAAN-ZCFIWIBFSA-N 1 2 194.225 0.565 20 0 ACADLO CNC(=O)[C@H](C)C[N@@H+](C)CC(F)F 388598448 538434448 /nfs/dbraw/zinc/43/44/48/538434448.db2.gz DSJMQUFFECEAAN-ZCFIWIBFSA-N 1 2 194.225 0.565 20 0 ACADLO CNC(=O)[C@@H](C)C[N@H+](C)CC(F)F 388598444 538434501 /nfs/dbraw/zinc/43/45/01/538434501.db2.gz DSJMQUFFECEAAN-LURJTMIESA-N 1 2 194.225 0.565 20 0 ACADLO CNC(=O)[C@@H](C)C[N@@H+](C)CC(F)F 388598444 538434502 /nfs/dbraw/zinc/43/45/02/538434502.db2.gz DSJMQUFFECEAAN-LURJTMIESA-N 1 2 194.225 0.565 20 0 ACADLO CC(C)(O)CC[NH2+]Cc1ccn[nH]1 388655335 538435724 /nfs/dbraw/zinc/43/57/24/538435724.db2.gz TUZIFVCYOPZTOH-UHFFFAOYSA-N 1 2 183.255 0.660 20 0 ACADLO c1nc(CNCC[NH+]2CCC2)cs1 388723658 538436962 /nfs/dbraw/zinc/43/69/62/538436962.db2.gz SXUPEMFNXJBQCB-UHFFFAOYSA-N 1 2 197.307 0.938 20 0 ACADLO Cc1cc(C[NH2+]Cc2ccon2)[nH]n1 388742539 538437476 /nfs/dbraw/zinc/43/74/76/538437476.db2.gz KPPQXQRLWSKURB-UHFFFAOYSA-N 1 2 192.222 0.996 20 0 ACADLO CNC(=O)C[N@H+](C)CCC(F)(F)F 388875051 538438094 /nfs/dbraw/zinc/43/80/94/538438094.db2.gz HQGXBHUHLAFLCH-UHFFFAOYSA-N 1 2 198.188 0.617 20 0 ACADLO CNC(=O)C[N@@H+](C)CCC(F)(F)F 388875051 538438095 /nfs/dbraw/zinc/43/80/95/538438095.db2.gz HQGXBHUHLAFLCH-UHFFFAOYSA-N 1 2 198.188 0.617 20 0 ACADLO CC(C)n1cc(C[NH2+]CCF)nn1 388912513 538438614 /nfs/dbraw/zinc/43/86/14/538438614.db2.gz PROYAXKBLRENQC-UHFFFAOYSA-N 1 2 186.234 0.918 20 0 ACADLO COCC1([NH2+]Cc2csnn2)CC1 388899083 538438969 /nfs/dbraw/zinc/43/89/69/538438969.db2.gz NAAIOCPHGFVOEX-UHFFFAOYSA-N 1 2 199.279 0.807 20 0 ACADLO CCOCC[NH2+][C@H](C)c1ncn(C)n1 389347243 538441087 /nfs/dbraw/zinc/44/10/87/538441087.db2.gz MGIFZOYVJZNGCY-MRVPVSSYSA-N 1 2 198.270 0.502 20 0 ACADLO CCOCC[NH2+][C@@H](C)c1ncn(C)n1 389347244 538441156 /nfs/dbraw/zinc/44/11/56/538441156.db2.gz MGIFZOYVJZNGCY-QMMMGPOBSA-N 1 2 198.270 0.502 20 0 ACADLO Cc1nc(N2CC(O)C2)c(C)c(C)[nH+]1 669368321 538442219 /nfs/dbraw/zinc/44/22/19/538442219.db2.gz GEBHNBRCXOEEJE-UHFFFAOYSA-N 1 2 193.250 0.583 20 0 ACADLO C[C@@H]1C[NH2+]Cc2cn[nH]c2C1 675049987 538447691 /nfs/dbraw/zinc/44/76/91/538447691.db2.gz FAUZOEOMBAPFKI-LURJTMIESA-N 1 2 151.213 0.692 20 0 ACADLO C[C@H]1C[NH2+]Cc2cn[nH]c2C1 675049988 538447458 /nfs/dbraw/zinc/44/74/58/538447458.db2.gz FAUZOEOMBAPFKI-ZCFIWIBFSA-N 1 2 151.213 0.692 20 0 ACADLO Cc1nc(N(C)[C@H](C)CO)cc[nH+]1 158827901 541309938 /nfs/dbraw/zinc/30/99/38/541309938.db2.gz WCAFGMORAAXZJZ-SSDOTTSWSA-N 1 2 181.239 0.602 20 0 ACADLO CCNC(=O)Cc1c[nH+]cn1C 202796920 541315321 /nfs/dbraw/zinc/31/53/21/541315321.db2.gz UAZNITFZIPWQSE-UHFFFAOYSA-N 1 2 167.212 0.099 20 0 ACADLO O=C1NCCC[NH2+][C@H]1c1cccnc1 219324182 541317799 /nfs/dbraw/zinc/31/77/99/541317799.db2.gz RYLCABNELLNYKL-VIFPVBQESA-N 1 2 191.234 0.232 20 0 ACADLO O=C1NCCC[NH2+][C@@H]1c1cccnc1 219324154 541317948 /nfs/dbraw/zinc/31/79/48/541317948.db2.gz RYLCABNELLNYKL-SECBINFHSA-N 1 2 191.234 0.232 20 0 ACADLO CCn1cc[nH+]c1Cn1cnc(N)n1 307677011 541331362 /nfs/dbraw/zinc/33/13/62/541331362.db2.gz KQFNDENTZUNPNZ-UHFFFAOYSA-N 1 2 192.226 0.125 20 0 ACADLO Cc1cn(CCn2cc[nH+]c2)nc1N 307731874 541332192 /nfs/dbraw/zinc/33/21/92/541332192.db2.gz KTJLPOQHVSXSKM-UHFFFAOYSA-N 1 2 191.238 0.670 20 0 ACADLO COCc1noc(C[NH+](C)C)n1 349603414 541335997 /nfs/dbraw/zinc/33/59/97/541335997.db2.gz LJLVBBPVCROWQJ-UHFFFAOYSA-N 1 2 171.200 0.278 20 0 ACADLO CC[N@H+](CCO)Cc1cn[nH]c1C 379372011 541338714 /nfs/dbraw/zinc/33/87/14/541338714.db2.gz IRKDTFZNKRGZCU-UHFFFAOYSA-N 1 2 183.255 0.532 20 0 ACADLO CC[N@@H+](CCO)Cc1cn[nH]c1C 379372011 541338720 /nfs/dbraw/zinc/33/87/20/541338720.db2.gz IRKDTFZNKRGZCU-UHFFFAOYSA-N 1 2 183.255 0.532 20 0 ACADLO COCCC(=O)NCc1[nH]c[nH+]c1C 380193619 541340297 /nfs/dbraw/zinc/34/02/97/541340297.db2.gz YFYMBDMULIWBDC-UHFFFAOYSA-N 1 2 197.238 0.371 20 0 ACADLO O=C(CCc1[nH]cc[nH+]1)NC1CC1 388372689 541341211 /nfs/dbraw/zinc/34/12/11/541341211.db2.gz XVYHWMLSUVIJOB-UHFFFAOYSA-N 1 2 179.223 0.621 20 0 ACADLO CC[C@H]([NH2+][C@H](CC)CO)C(=O)OC 135188923 756990111 /nfs/dbraw/zinc/99/01/11/756990111.db2.gz OWKBEUOOUISOHF-SFYZADRCSA-N 1 2 189.255 0.299 20 0 ACADLO CC[C@H](CO)[NH2+][C@H](CC)C(=O)OC 135188944 756990345 /nfs/dbraw/zinc/99/03/45/756990345.db2.gz OWKBEUOOUISOHF-HTQZYQBOSA-N 1 2 189.255 0.299 20 0 ACADLO NC(=O)c1cccc2[nH+]ccn12 147751803 756996023 /nfs/dbraw/zinc/99/60/23/756996023.db2.gz NNPRQFFDCTZUDQ-UHFFFAOYSA-N 1 2 161.164 0.433 20 0 ACADLO CC1(C)[C@@H]([NH2+]Cc2nnc[nH]2)C[C@H]1O 159553763 757000995 /nfs/dbraw/zinc/00/09/95/757000995.db2.gz PLGFDRRXSLEOBN-NKWVEPMBSA-N 1 2 196.254 0.054 20 0 ACADLO CC1(C)[C@@H](O)C[C@H]1[NH2+]Cc1nnc[nH]1 159553349 757001372 /nfs/dbraw/zinc/00/13/72/757001372.db2.gz PLGFDRRXSLEOBN-RQJHMYQMSA-N 1 2 196.254 0.054 20 0 ACADLO CC1(C)[C@H](O)C[C@H]1[NH2+]Cc1nnc[nH]1 159553603 757001393 /nfs/dbraw/zinc/00/13/93/757001393.db2.gz PLGFDRRXSLEOBN-RNFRBKRXSA-N 1 2 196.254 0.054 20 0 ACADLO CC1(C)[C@@H](O)C[C@@H]1[NH2+]Cc1nnc[nH]1 159553486 757002421 /nfs/dbraw/zinc/00/24/21/757002421.db2.gz PLGFDRRXSLEOBN-BQBZGAKWSA-N 1 2 196.254 0.054 20 0 ACADLO CCS(=O)(=O)Cc1c[nH+]cn1C 258281840 757044909 /nfs/dbraw/zinc/04/49/09/757044909.db2.gz TXBHENWBXOUPLL-UHFFFAOYSA-N 1 2 188.252 0.355 20 0 ACADLO OC1CC[NH+](Cc2cnns2)CC1 306206936 757059045 /nfs/dbraw/zinc/05/90/45/757059045.db2.gz XFDVALUQCKNTAQ-UHFFFAOYSA-N 1 2 199.279 0.495 20 0 ACADLO CCNC(=O)Cc1[nH]c[nH+]c1C 306755205 757074475 /nfs/dbraw/zinc/07/44/75/757074475.db2.gz KXAGKASDPMRBIJ-UHFFFAOYSA-N 1 2 167.212 0.397 20 0 ACADLO CCC(=O)NCc1c[nH+]cn1C 306751479 757075287 /nfs/dbraw/zinc/07/52/87/757075287.db2.gz HTAFTANNUOOYDR-UHFFFAOYSA-N 1 2 167.212 0.446 20 0 ACADLO CC[NH+]1CC(NC(=O)C2CC2)C1 307405420 757091023 /nfs/dbraw/zinc/09/10/23/757091023.db2.gz FAKHAVXLJKOQDU-UHFFFAOYSA-N 1 2 168.240 0.217 20 0 ACADLO CN(C)C(=O)NCc1c[nH+]cn1C 307665860 757097433 /nfs/dbraw/zinc/09/74/33/757097433.db2.gz MCFMLIURTDQONI-UHFFFAOYSA-N 1 2 182.227 0.191 20 0 ACADLO CC1(C[NH2+][C@@]2(C)CCOC2=O)COC1 307751227 757098881 /nfs/dbraw/zinc/09/88/81/757098881.db2.gz NFCBUNYJUVZBAW-JTQLQIEISA-N 1 2 199.250 0.318 20 0 ACADLO CC1(C[NH2+][C@]2(C)CCOC2=O)COC1 307751228 757099066 /nfs/dbraw/zinc/09/90/66/757099066.db2.gz NFCBUNYJUVZBAW-SNVBAGLBSA-N 1 2 199.250 0.318 20 0 ACADLO C[C@@H](C(N)=O)[N@H+](C)CCC(F)(F)F 82432319 572026399 /nfs/dbraw/zinc/02/63/99/572026399.db2.gz CMGBMMHZZHJDMO-YFKPBYRVSA-N 1 2 198.188 0.744 20 0 ACADLO C[C@@H](C(N)=O)[N@@H+](C)CCC(F)(F)F 82432319 572026401 /nfs/dbraw/zinc/02/64/01/572026401.db2.gz CMGBMMHZZHJDMO-YFKPBYRVSA-N 1 2 198.188 0.744 20 0 ACADLO C/C=C\C(=O)NCCc1c[nH+]cn1C 401688457 757156947 /nfs/dbraw/zinc/15/69/47/757156947.db2.gz YTWIOMRZZOTYPJ-ARJAWSKDSA-N 1 2 193.250 0.655 20 0 ACADLO C=CC(=O)NCCc1c[nH+]cn1C 401667693 757161966 /nfs/dbraw/zinc/16/19/66/757161966.db2.gz IZIZBTBLPZZEBT-UHFFFAOYSA-N 1 2 179.223 0.265 20 0 ACADLO C/C=C/C(=O)NCCc1c[nH+]cn1C 401688459 757162915 /nfs/dbraw/zinc/16/29/15/757162915.db2.gz YTWIOMRZZOTYPJ-ONEGZZNKSA-N 1 2 193.250 0.655 20 0 ACADLO CCn1cc(C[NH2+]CCF)nn1 404516355 757186283 /nfs/dbraw/zinc/18/62/83/757186283.db2.gz WEZZBSCNFZVONE-UHFFFAOYSA-N 1 2 172.207 0.357 20 0 ACADLO C/C=C/C(=O)NCCc1[nH+]ccn1C 82285491 572019950 /nfs/dbraw/zinc/01/99/50/572019950.db2.gz NWELGOLHYVRXOJ-ONEGZZNKSA-N 1 2 193.250 0.655 20 0 ACADLO Cc1nsc(NC[C@@H]2CC[N@H+]2C)n1 642874360 757281791 /nfs/dbraw/zinc/28/17/91/757281791.db2.gz PQOLIPMPQBISGA-ZETCQYMHSA-N 1 2 198.295 0.384 20 0 ACADLO Cc1nsc(NC[C@@H]2CC[N@@H+]2C)n1 642874360 757281799 /nfs/dbraw/zinc/28/17/99/757281799.db2.gz PQOLIPMPQBISGA-ZETCQYMHSA-N 1 2 198.295 0.384 20 0 ACADLO Cc1nsc(NC[C@H]2CC[N@H+]2C)n1 642874359 757286863 /nfs/dbraw/zinc/28/68/63/757286863.db2.gz PQOLIPMPQBISGA-SSDOTTSWSA-N 1 2 198.295 0.384 20 0 ACADLO Cc1nsc(NC[C@H]2CC[N@@H+]2C)n1 642874359 757286891 /nfs/dbraw/zinc/28/68/91/757286891.db2.gz PQOLIPMPQBISGA-SSDOTTSWSA-N 1 2 198.295 0.384 20 0 ACADLO O=C1OCCN1CCCn1cc[nH+]c1 685972275 757296721 /nfs/dbraw/zinc/29/67/21/757296721.db2.gz ZHXYOSSMXPOPIP-UHFFFAOYSA-N 1 2 195.222 0.725 20 0 ACADLO Cc1nc(C[NH2+][C@H]2COC[C@@H]2C)no1 687989616 757317318 /nfs/dbraw/zinc/31/73/18/757317318.db2.gz AASREGIVBKVDPI-XPUUQOCRSA-N 1 2 197.238 0.503 20 0 ACADLO Cc1nc(C[NH2+][C@@H]2COC[C@@H]2C)no1 687989611 757317647 /nfs/dbraw/zinc/31/76/47/757317647.db2.gz AASREGIVBKVDPI-POYBYMJQSA-N 1 2 197.238 0.503 20 0 ACADLO Cc1nc(C[NH2+][C@@H]2COC[C@H]2C)no1 687989608 757318288 /nfs/dbraw/zinc/31/82/88/757318288.db2.gz AASREGIVBKVDPI-HTRCEHHLSA-N 1 2 197.238 0.503 20 0 ACADLO Cc1nc(C[NH2+][C@H]2COC[C@H]2C)no1 687989613 757321923 /nfs/dbraw/zinc/32/19/23/757321923.db2.gz AASREGIVBKVDPI-SVRRBLITSA-N 1 2 197.238 0.503 20 0 ACADLO C[C@@H]1COC[C@H]1[NH2+]Cc1ccn[nH]1 688052963 757330071 /nfs/dbraw/zinc/33/00/71/757330071.db2.gz KNWSSVFHIRAMQZ-VXNVDRBHSA-N 1 2 181.239 0.534 20 0 ACADLO C[C@H]1COC[C@@H]1[NH2+]Cc1ccn[nH]1 688052959 757332194 /nfs/dbraw/zinc/33/21/94/757332194.db2.gz KNWSSVFHIRAMQZ-CBAPKCEASA-N 1 2 181.239 0.534 20 0 ACADLO C[C@H]1COC[C@H]1[NH2+]Cc1ccn[nH]1 688052961 757332345 /nfs/dbraw/zinc/33/23/45/757332345.db2.gz KNWSSVFHIRAMQZ-IONNQARKSA-N 1 2 181.239 0.534 20 0 ACADLO C[C@@H]1COC[C@@H]1[NH2+]Cc1ccn[nH]1 688052957 757332682 /nfs/dbraw/zinc/33/26/82/757332682.db2.gz KNWSSVFHIRAMQZ-APPZFPTMSA-N 1 2 181.239 0.534 20 0 ACADLO Cc1ccnc(C[N@@H+](C)C[C@H](C)O)n1 692183397 757373356 /nfs/dbraw/zinc/37/33/56/757373356.db2.gz ODXLZWACIOKHGN-VIFPVBQESA-N 1 2 195.266 0.598 20 0 ACADLO Cc1ccnc(C[N@H+](C)C[C@H](C)O)n1 692183397 757373363 /nfs/dbraw/zinc/37/33/63/757373363.db2.gz ODXLZWACIOKHGN-VIFPVBQESA-N 1 2 195.266 0.598 20 0 ACADLO Cc1ccnc(C[N@@H+](C)C[C@@H](C)O)n1 692183394 757374807 /nfs/dbraw/zinc/37/48/07/757374807.db2.gz ODXLZWACIOKHGN-SECBINFHSA-N 1 2 195.266 0.598 20 0 ACADLO Cc1ccnc(C[N@H+](C)C[C@@H](C)O)n1 692183394 757374820 /nfs/dbraw/zinc/37/48/20/757374820.db2.gz ODXLZWACIOKHGN-SECBINFHSA-N 1 2 195.266 0.598 20 0 ACADLO Cc1c[nH]c(C[NH2+]CCF)n1 693498985 757393326 /nfs/dbraw/zinc/39/33/26/757393326.db2.gz UMAUURUBAWMGGC-UHFFFAOYSA-N 1 2 157.192 0.777 20 0 ACADLO CC[C@H]1COC[C@@H]1[NH2+]Cc1ccn[nH]1 694047155 757396312 /nfs/dbraw/zinc/39/63/12/757396312.db2.gz UJUFMNUVAVGJKI-WPRPVWTQSA-N 1 2 195.266 0.924 20 0 ACADLO CC[C@@H]1COC[C@@H]1[NH2+]Cc1ccn[nH]1 694047151 757397375 /nfs/dbraw/zinc/39/73/75/757397375.db2.gz UJUFMNUVAVGJKI-SCZZXKLOSA-N 1 2 195.266 0.924 20 0 ACADLO CC[C@@H]1COC[C@H]1[NH2+]Cc1ccn[nH]1 694047148 757397724 /nfs/dbraw/zinc/39/77/24/757397724.db2.gz UJUFMNUVAVGJKI-PSASIEDQSA-N 1 2 195.266 0.924 20 0 ACADLO CC[C@H]1COC[C@H]1[NH2+]Cc1ccn[nH]1 694047154 757398350 /nfs/dbraw/zinc/39/83/50/757398350.db2.gz UJUFMNUVAVGJKI-WCBMZHEXSA-N 1 2 195.266 0.924 20 0 ACADLO CC[N@H+](CCO)Cc1nccc(C)n1 694440688 757408098 /nfs/dbraw/zinc/40/80/98/757408098.db2.gz UMVVXXQHOTYTIW-UHFFFAOYSA-N 1 2 195.266 0.599 20 0 ACADLO CC[N@@H+](CCO)Cc1nccc(C)n1 694440688 757408116 /nfs/dbraw/zinc/40/81/16/757408116.db2.gz UMVVXXQHOTYTIW-UHFFFAOYSA-N 1 2 195.266 0.599 20 0 ACADLO c1cc(C[NH2+]Cc2nnc[nH]2)ccn1 37919157 572237521 /nfs/dbraw/zinc/23/75/21/572237521.db2.gz JCOJPZVCXDXSTG-UHFFFAOYSA-N 1 2 189.222 0.490 20 0 ACADLO C[NH2+]CC[N@H+](C)CCCC(=O)[O-] 69800763 957657776 /nfs/dbraw/zinc/65/77/76/957657776.db2.gz VYZSDBBAKLXSHE-UHFFFAOYSA-N 1 2 174.244 0.002 20 0 ACADLO C[NH2+]CC[N@@H+](C)CCCC(=O)[O-] 69800763 957657787 /nfs/dbraw/zinc/65/77/87/957657787.db2.gz VYZSDBBAKLXSHE-UHFFFAOYSA-N 1 2 174.244 0.002 20 0 ACADLO C[C@@](O)(C[NH+]1CCOCC1)C(F)F 698554089 757461417 /nfs/dbraw/zinc/46/14/17/757461417.db2.gz ADXGFJDBBWOJOY-MRVPVSSYSA-N 1 2 195.209 0.335 20 0 ACADLO C[C@](O)(C[NH+]1CCOCC1)C(F)F 698554096 757462919 /nfs/dbraw/zinc/46/29/19/757462919.db2.gz ADXGFJDBBWOJOY-QMMMGPOBSA-N 1 2 195.209 0.335 20 0 ACADLO C[C@H]1COC[C@@H]1[NH2+]Cc1cnsn1 699852912 757477319 /nfs/dbraw/zinc/47/73/19/757477319.db2.gz XAQHJGXCYHJWOG-XPUUQOCRSA-N 1 2 199.279 0.663 20 0 ACADLO C[C@@H]1COC[C@@H]1[NH2+]Cc1cnsn1 699852911 757478851 /nfs/dbraw/zinc/47/88/51/757478851.db2.gz XAQHJGXCYHJWOG-SVRRBLITSA-N 1 2 199.279 0.663 20 0 ACADLO C[C@@H]1COC[C@H]1[NH2+]Cc1cnsn1 699852907 757479386 /nfs/dbraw/zinc/47/93/86/757479386.db2.gz XAQHJGXCYHJWOG-HTRCEHHLSA-N 1 2 199.279 0.663 20 0 ACADLO C[C@H]1COC[C@H]1[NH2+]Cc1cnsn1 699852909 757480850 /nfs/dbraw/zinc/48/08/50/757480850.db2.gz XAQHJGXCYHJWOG-POYBYMJQSA-N 1 2 199.279 0.663 20 0 ACADLO CCC(=O)CNC(=O)Cc1[nH]cc[nH+]1 831453240 757499645 /nfs/dbraw/zinc/49/96/45/757499645.db2.gz CGMZTFFHBHKIBG-UHFFFAOYSA-N 1 2 195.222 0.048 20 0 ACADLO COC(=O)[C@@H]([NH2+]CC(C)C)[C@@H](C)O 238380160 572651836 /nfs/dbraw/zinc/65/18/36/572651836.db2.gz XIPAKVXVQLUAQG-SFYZADRCSA-N 1 2 189.255 0.154 20 0 ACADLO O=C(Cc1[nH]cc[nH+]1)N1CC2(CC2)C1 854686560 757506355 /nfs/dbraw/zinc/50/63/55/757506355.db2.gz YJQMAWXKGUYJTM-UHFFFAOYSA-N 1 2 191.234 0.575 20 0 ACADLO Cc1nnc(C[N@@H+]2CCC[C@@H](O)C2)o1 48581122 572676598 /nfs/dbraw/zinc/67/65/98/572676598.db2.gz APAREOXSUDEOFG-MRVPVSSYSA-N 1 2 197.238 0.335 20 0 ACADLO CCC[N@H+](CCF)CC(N)=O 307935801 572793825 /nfs/dbraw/zinc/79/38/25/572793825.db2.gz YAPPAEOZYXTQLO-UHFFFAOYSA-N 1 2 162.208 0.153 20 0 ACADLO CCC[N@@H+](CCF)CC(N)=O 307935801 572793829 /nfs/dbraw/zinc/79/38/29/572793829.db2.gz YAPPAEOZYXTQLO-UHFFFAOYSA-N 1 2 162.208 0.153 20 0 ACADLO CO[C@@H]1CC[N@@H+](Cc2nnc(C)o2)C1 1116218460 757584074 /nfs/dbraw/zinc/58/40/74/757584074.db2.gz FCKIBTYZYCIOFA-MRVPVSSYSA-N 1 2 197.238 0.599 20 0 ACADLO CO[C@H]1CC[N@H+](Cc2nnc(C)o2)C1 1116218463 757581845 /nfs/dbraw/zinc/58/18/45/757581845.db2.gz FCKIBTYZYCIOFA-QMMMGPOBSA-N 1 2 197.238 0.599 20 0 ACADLO CO[C@H]1CC[N@@H+](Cc2nnc(C)o2)C1 1116218463 757581870 /nfs/dbraw/zinc/58/18/70/757581870.db2.gz FCKIBTYZYCIOFA-QMMMGPOBSA-N 1 2 197.238 0.599 20 0 ACADLO CONC(=O)[C@@H]1CCn2c[nH+]cc2C1 1116347805 757582739 /nfs/dbraw/zinc/58/27/39/757582739.db2.gz AFIHFFGOCYUOMK-SSDOTTSWSA-N 1 2 195.222 0.123 20 0 ACADLO CO[C@@H]1CC[N@H+](Cc2nnc(C)o2)C1 1116218460 757584062 /nfs/dbraw/zinc/58/40/62/757584062.db2.gz FCKIBTYZYCIOFA-MRVPVSSYSA-N 1 2 197.238 0.599 20 0 ACADLO CONC(=O)[C@H]1CCn2c[nH+]cc2C1 1116347806 757585022 /nfs/dbraw/zinc/58/50/22/757585022.db2.gz AFIHFFGOCYUOMK-ZETCQYMHSA-N 1 2 195.222 0.123 20 0 ACADLO C[C@H](C(=O)NCC1CC1)n1cc[nH+]c1 1115900464 757586084 /nfs/dbraw/zinc/58/60/84/757586084.db2.gz GCIXOCZXZNKOCA-MRVPVSSYSA-N 1 2 193.250 0.970 20 0 ACADLO Cc1nnc([C@@H](C)[N@@H+]2CC[C@H](O)C2)o1 1116326139 757586901 /nfs/dbraw/zinc/58/69/01/757586901.db2.gz UISYZXANDGZAAK-SVRRBLITSA-N 1 2 197.238 0.506 20 0 ACADLO 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761672882 /nfs/dbraw/zinc/67/28/82/761672882.db2.gz POZQQNSUFSKUGX-LURJTMIESA-N 1 2 135.157 1.000 20 0 ACADLO Cc1cc(C[N@H+]2C[C@H](C)[C@@H](O)C2)n[nH]1 1203070372 761832715 /nfs/dbraw/zinc/83/27/15/761832715.db2.gz QNKMQUYNACJPED-XVKPBYJWSA-N 1 2 195.266 0.531 20 0 ACADLO Cc1cc(C[N@@H+]2C[C@H](C)[C@@H](O)C2)n[nH]1 1203070372 761832717 /nfs/dbraw/zinc/83/27/17/761832717.db2.gz QNKMQUYNACJPED-XVKPBYJWSA-N 1 2 195.266 0.531 20 0 ACADLO Cc1cc(C[N@@H+]2CC[C@@](C)(O)C2)n[nH]1 1203070519 761833110 /nfs/dbraw/zinc/83/31/10/761833110.db2.gz XIVBLCASXMMDNG-SNVBAGLBSA-N 1 2 195.266 0.675 20 0 ACADLO Cc1cc(C[N@H+]2CC[C@@](C)(O)C2)n[nH]1 1203070519 761833111 /nfs/dbraw/zinc/83/31/11/761833111.db2.gz XIVBLCASXMMDNG-SNVBAGLBSA-N 1 2 195.266 0.675 20 0 ACADLO Cc1cc(C[N@H+]2C[C@H](C)[C@H](O)C2)n[nH]1 1203070371 761833161 /nfs/dbraw/zinc/83/31/61/761833161.db2.gz QNKMQUYNACJPED-OIBJUYFYSA-N 1 2 195.266 0.531 20 0 ACADLO Cc1cc(C[N@@H+]2C[C@H](C)[C@H](O)C2)n[nH]1 1203070371 761833163 /nfs/dbraw/zinc/83/31/63/761833163.db2.gz QNKMQUYNACJPED-OIBJUYFYSA-N 1 2 195.266 0.531 20 0 ACADLO CO[C@H]1CC[N@H+](Cc2cc(C)[nH]n2)C1 1203070349 761833311 /nfs/dbraw/zinc/83/33/11/761833311.db2.gz PLCKZEGUFAHPTH-JTQLQIEISA-N 1 2 195.266 0.939 20 0 ACADLO CO[C@H]1CC[N@@H+](Cc2cc(C)[nH]n2)C1 1203070349 761833315 /nfs/dbraw/zinc/83/33/15/761833315.db2.gz PLCKZEGUFAHPTH-JTQLQIEISA-N 1 2 195.266 0.939 20 0 ACADLO Cc1cc(C[N@@H+]2CC[C@](C)(O)C2)n[nH]1 1203070518 761834750 /nfs/dbraw/zinc/83/47/50/761834750.db2.gz XIVBLCASXMMDNG-JTQLQIEISA-N 1 2 195.266 0.675 20 0 ACADLO Cc1cc(C[N@H+]2CC[C@](C)(O)C2)n[nH]1 1203070518 761834752 /nfs/dbraw/zinc/83/47/52/761834752.db2.gz XIVBLCASXMMDNG-JTQLQIEISA-N 1 2 195.266 0.675 20 0 ACADLO Cn1cncc1C[N@@H+]1CC[C@@H](F)C1 1204384386 761853173 /nfs/dbraw/zinc/85/31/73/761853173.db2.gz VSJLDQZEWRFPMD-MRVPVSSYSA-N 1 2 183.230 0.964 20 0 ACADLO Cn1cncc1C[N@H+]1CC[C@@H](F)C1 1204384386 761853183 /nfs/dbraw/zinc/85/31/83/761853183.db2.gz VSJLDQZEWRFPMD-MRVPVSSYSA-N 1 2 183.230 0.964 20 0 ACADLO Cn1c[nH+]cc1CN1CC[C@@H](F)C1 1204384386 761853184 /nfs/dbraw/zinc/85/31/84/761853184.db2.gz VSJLDQZEWRFPMD-MRVPVSSYSA-N 1 2 183.230 0.964 20 0 ACADLO Cn1cncc1C[N@@H+]1CC[C@H](F)C1 1204384511 761854122 /nfs/dbraw/zinc/85/41/22/761854122.db2.gz VSJLDQZEWRFPMD-QMMMGPOBSA-N 1 2 183.230 0.964 20 0 ACADLO Cn1cncc1C[N@H+]1CC[C@H](F)C1 1204384511 761854124 /nfs/dbraw/zinc/85/41/24/761854124.db2.gz VSJLDQZEWRFPMD-QMMMGPOBSA-N 1 2 183.230 0.964 20 0 ACADLO Cn1c[nH+]cc1CN1CC[C@H](F)C1 1204384511 761854125 /nfs/dbraw/zinc/85/41/25/761854125.db2.gz VSJLDQZEWRFPMD-QMMMGPOBSA-N 1 2 183.230 0.964 20 0 ACADLO O[C@H]1C[C@@H]([NH2+]Cc2csnn2)C1 1206307870 762075875 /nfs/dbraw/zinc/07/58/75/762075875.db2.gz KEPIAHXZODZFPR-IAQIWYKVSA-N 1 2 185.252 0.151 20 0 ACADLO C[N@H+](CCO)Cc1ncccc1F 1236253107 764640278 /nfs/dbraw/zinc/64/02/78/764640278.db2.gz FXCXTHCOTBTQDS-UHFFFAOYSA-N 1 2 184.214 0.645 20 0 ACADLO C[N@@H+](CCO)Cc1ncccc1F 1236253107 764640282 /nfs/dbraw/zinc/64/02/82/764640282.db2.gz FXCXTHCOTBTQDS-UHFFFAOYSA-N 1 2 184.214 0.645 20 0 ACADLO c1nnc(C[N@H+]2C[C@H]3C[C@H]3C2)[nH]1 1237602500 764684902 /nfs/dbraw/zinc/68/49/02/764684902.db2.gz VJOUBRSUDZNZGG-KNVOCYPGSA-N 1 2 164.212 0.256 20 0 ACADLO c1nnc(C[N@@H+]2C[C@H]3C[C@H]3C2)[nH]1 1237602500 764684921 /nfs/dbraw/zinc/68/49/21/764684921.db2.gz VJOUBRSUDZNZGG-KNVOCYPGSA-N 1 2 164.212 0.256 20 0 ACADLO C[C@@H]1CCC[N@@H+]1Cc1nnc[nH]1 1237601603 764686203 /nfs/dbraw/zinc/68/62/03/764686203.db2.gz IDCSPVWPKXSPHO-SSDOTTSWSA-N 1 2 166.228 0.789 20 0 ACADLO C[C@@H]1CCC[N@H+]1Cc1nnc[nH]1 1237601603 764686213 /nfs/dbraw/zinc/68/62/13/764686213.db2.gz IDCSPVWPKXSPHO-SSDOTTSWSA-N 1 2 166.228 0.789 20 0 ACADLO C[C@@H]1CC[N@H+](Cc2nnc[nH]2)C1 1237598316 764686705 /nfs/dbraw/zinc/68/67/05/764686705.db2.gz BWGAVSADWLENPA-SSDOTTSWSA-N 1 2 166.228 0.647 20 0 ACADLO C[C@@H]1CC[N@@H+](Cc2nnc[nH]2)C1 1237598316 764686712 /nfs/dbraw/zinc/68/67/12/764686712.db2.gz BWGAVSADWLENPA-SSDOTTSWSA-N 1 2 166.228 0.647 20 0 ACADLO C[C@H]1CCC[N@@H+]1Cc1nnc[nH]1 1237601606 764689407 /nfs/dbraw/zinc/68/94/07/764689407.db2.gz IDCSPVWPKXSPHO-ZETCQYMHSA-N 1 2 166.228 0.789 20 0 ACADLO C[C@H]1CCC[N@H+]1Cc1nnc[nH]1 1237601606 764689423 /nfs/dbraw/zinc/68/94/23/764689423.db2.gz IDCSPVWPKXSPHO-ZETCQYMHSA-N 1 2 166.228 0.789 20 0 ACADLO C[C@H]1CC[N@H+](Cc2nnc[nH]2)C1 1237598317 764692188 /nfs/dbraw/zinc/69/21/88/764692188.db2.gz BWGAVSADWLENPA-ZETCQYMHSA-N 1 2 166.228 0.647 20 0 ACADLO C[C@H]1CC[N@@H+](Cc2nnc[nH]2)C1 1237598317 764692199 /nfs/dbraw/zinc/69/21/99/764692199.db2.gz BWGAVSADWLENPA-ZETCQYMHSA-N 1 2 166.228 0.647 20 0 ACADLO CC1(C)[C@H]2C[N@H+](Cc3nnc[nH]3)C[C@H]21 1237609613 764695944 /nfs/dbraw/zinc/69/59/44/764695944.db2.gz ZIFKKFRYZALLSM-OCAPTIKFSA-N 1 2 192.266 0.893 20 0 ACADLO CC1(C)[C@H]2C[N@@H+](Cc3nnc[nH]3)C[C@H]21 1237609613 764695945 /nfs/dbraw/zinc/69/59/45/764695945.db2.gz ZIFKKFRYZALLSM-OCAPTIKFSA-N 1 2 192.266 0.893 20 0 ACADLO c1nnc(C[NH+]2C3CCC2CC3)[nH]1 1237604574 764700944 /nfs/dbraw/zinc/70/09/44/764700944.db2.gz PGWQEALKASQFFU-UHFFFAOYSA-N 1 2 178.239 0.932 20 0 ACADLO Cc1cc(C[N@@H+](CCO)C(C)C)n[nH]1 1253967881 767280835 /nfs/dbraw/zinc/28/08/35/767280835.db2.gz DONSJWOUURFVBA-UHFFFAOYSA-N 1 2 197.282 0.921 20 0 ACADLO Cc1cc(C[N@H+](CCO)C(C)C)n[nH]1 1253967881 767280842 /nfs/dbraw/zinc/28/08/42/767280842.db2.gz DONSJWOUURFVBA-UHFFFAOYSA-N 1 2 197.282 0.921 20 0 ACADLO C[N@@H+]1CC[C@@H]2CC[C@H](C1)[NH+]2CC(=O)[O-] 717496184 969093375 /nfs/dbraw/zinc/09/33/75/969093375.db2.gz ZTPJXGSEGKBTHB-DTWKUNHWSA-N 1 2 198.266 0.240 20 0 ACADLO C[N@H+]1CC[C@@H]2CC[C@H](C1)[NH+]2CC(=O)[O-] 717496184 969093384 /nfs/dbraw/zinc/09/33/84/969093384.db2.gz ZTPJXGSEGKBTHB-DTWKUNHWSA-N 1 2 198.266 0.240 20 0 ACADLO C[NH+]1CC[C@@H]2CC[C@H](C1)[N@@H+]2CC(=O)[O-] 717496184 969093394 /nfs/dbraw/zinc/09/33/94/969093394.db2.gz ZTPJXGSEGKBTHB-DTWKUNHWSA-N 1 2 198.266 0.240 20 0 ACADLO C[NH+]1CC[C@@H]2CC[C@H](C1)[N@H+]2CC(=O)[O-] 717496184 969093398 /nfs/dbraw/zinc/09/33/98/969093398.db2.gz ZTPJXGSEGKBTHB-DTWKUNHWSA-N 1 2 198.266 0.240 20 0 ACADLO CC[C@H](C)C[NH2+]Cc1ncn[nH]1 37919565 1169077866 /nfs/dbraw/zinc/07/78/66/1169077866.db2.gz KDPTZYOWSJTAOM-ZETCQYMHSA-N 1 2 168.244 0.940 20 0 ACADLO CC[C@@H](C)C[NH2+]Cc1ncn[nH]1 37919564 1169078978 /nfs/dbraw/zinc/07/89/78/1169078978.db2.gz KDPTZYOWSJTAOM-SSDOTTSWSA-N 1 2 168.244 0.940 20 0 ACADLO Cc1n[nH]cc1C[NH2+]Cc1cc[nH]n1 38011393 1169078935 /nfs/dbraw/zinc/07/89/35/1169078935.db2.gz ZHJQFXQYDCGBFU-UHFFFAOYSA-N 1 2 191.238 0.731 20 0 ACADLO CN(C)C(=O)Cc1c[nH+]c[nH]1 39132498 1169082229 /nfs/dbraw/zinc/08/22/29/1169082229.db2.gz CXGNVMNUHXQWAI-UHFFFAOYSA-N 1 2 153.185 0.040 20 0 ACADLO Cc1n[nH]cc1C[NH2+]Cc1cnc[nH]1 54765120 1169093982 /nfs/dbraw/zinc/09/39/82/1169093982.db2.gz IARAFXKBZLNTGH-UHFFFAOYSA-N 1 2 191.238 0.731 20 0 ACADLO Cn1cnnc1C[N@H+](C)CC(C)(C)O 83604666 1169114373 /nfs/dbraw/zinc/11/43/73/1169114373.db2.gz FKILUGPCPDWICJ-UHFFFAOYSA-N 1 2 198.270 0.018 20 0 ACADLO Cn1cnnc1C[N@@H+](C)CC(C)(C)O 83604666 1169114376 /nfs/dbraw/zinc/11/43/76/1169114376.db2.gz FKILUGPCPDWICJ-UHFFFAOYSA-N 1 2 198.270 0.018 20 0 ACADLO O=C(Cc1[nH]cc[nH+]1)NC/C=C/Cl 891198796 673920647 /nfs/dbraw/zinc/92/06/47/673920647.db2.gz MNAPCTOBODFDDV-OWOJBTEDSA-N 1 2 199.641 0.821 20 0 ACADLO O=C(Cc1[nH]cc[nH+]1)NC/C=C\Cl 891198797 673920721 /nfs/dbraw/zinc/92/07/21/673920721.db2.gz MNAPCTOBODFDDV-UPHRSURJSA-N 1 2 199.641 0.821 20 0 ACADLO C[N@H+](CCO)[C@@H]1CC(C)(C)OC1=O 307705151 673921316 /nfs/dbraw/zinc/92/13/16/673921316.db2.gz XYXNUTZOTBIGSY-SSDOTTSWSA-N 1 2 187.239 0.005 20 0 ACADLO C[N@@H+](CCO)[C@@H]1CC(C)(C)OC1=O 307705151 673921318 /nfs/dbraw/zinc/92/13/18/673921318.db2.gz XYXNUTZOTBIGSY-SSDOTTSWSA-N 1 2 187.239 0.005 20 0 ACADLO C[N@H+](CCO)[C@H]1CC(C)(C)OC1=O 307705152 673921683 /nfs/dbraw/zinc/92/16/83/673921683.db2.gz XYXNUTZOTBIGSY-ZETCQYMHSA-N 1 2 187.239 0.005 20 0 ACADLO C[N@@H+](CCO)[C@H]1CC(C)(C)OC1=O 307705152 673921684 /nfs/dbraw/zinc/92/16/84/673921684.db2.gz XYXNUTZOTBIGSY-ZETCQYMHSA-N 1 2 187.239 0.005 20 0 ACADLO CC(=O)C[N@@H+]1CCC[C@@H]1C1OCCO1 933895437 673933630 /nfs/dbraw/zinc/93/36/30/673933630.db2.gz HJJUBQOTTZMVTI-SECBINFHSA-N 1 2 199.250 0.413 20 0 ACADLO CC(=O)C[N@H+]1CCC[C@@H]1C1OCCO1 933895437 673933633 /nfs/dbraw/zinc/93/36/33/673933633.db2.gz HJJUBQOTTZMVTI-SECBINFHSA-N 1 2 199.250 0.413 20 0 ACADLO CC(=O)C[N@@H+]1CCC[C@H]1C1OCCO1 933895441 673933749 /nfs/dbraw/zinc/93/37/49/673933749.db2.gz HJJUBQOTTZMVTI-VIFPVBQESA-N 1 2 199.250 0.413 20 0 ACADLO CC(=O)C[N@H+]1CCC[C@H]1C1OCCO1 933895441 673933750 /nfs/dbraw/zinc/93/37/50/673933750.db2.gz HJJUBQOTTZMVTI-VIFPVBQESA-N 1 2 199.250 0.413 20 0 ACADLO COC(=O)[C@H](C)[NH2+]C1CC(C)C1 123318186 1169164278 /nfs/dbraw/zinc/16/42/78/1169164278.db2.gz OEKKSPYULPKBFX-WTIBDHCWSA-N 1 2 171.240 0.936 20 0 ACADLO Cc1nnc(C[N@@H+](C)C(C)(C)CO)o1 124788425 1169169767 /nfs/dbraw/zinc/16/97/67/1169169767.db2.gz MGGKXVROMCOJLF-UHFFFAOYSA-N 1 2 199.254 0.581 20 0 ACADLO Cc1nnc(C[N@H+](C)C(C)(C)CO)o1 124788425 1169169780 /nfs/dbraw/zinc/16/97/80/1169169780.db2.gz MGGKXVROMCOJLF-UHFFFAOYSA-N 1 2 199.254 0.581 20 0 ACADLO Cn1cnnc1C[N@H+](C)C(C)(C)CO 124771969 1169171857 /nfs/dbraw/zinc/17/18/57/1169171857.db2.gz TYHJAOYWNWPUGT-UHFFFAOYSA-N 1 2 198.270 0.018 20 0 ACADLO Cn1cnnc1C[N@@H+](C)C(C)(C)CO 124771969 1169171862 /nfs/dbraw/zinc/17/18/62/1169171862.db2.gz TYHJAOYWNWPUGT-UHFFFAOYSA-N 1 2 198.270 0.018 20 0 ACADLO CNc1cc(N[C@H]2C[C@@H](O)C2)[nH+]cn1 894117616 673953098 /nfs/dbraw/zinc/95/30/98/673953098.db2.gz BCGQDLWYAUSWEA-KNVOCYPGSA-N 1 2 194.238 0.454 20 0 ACADLO C[C@H](c1nc(N(C)C)no1)[NH+](C)C 923970172 673953548 /nfs/dbraw/zinc/95/35/48/673953548.db2.gz PUSGSXKEXRANKZ-ZCFIWIBFSA-N 1 2 184.243 0.758 20 0 ACADLO Cc1ccc(C[NH2+]C2(C)COC2)nn1 877691040 673954429 /nfs/dbraw/zinc/95/44/29/673954429.db2.gz IPQFSPJGJBODEM-UHFFFAOYSA-N 1 2 193.250 0.664 20 0 ACADLO Cc1[nH]c(CN2CC(C)(O)C2)[nH+]c1C 877581266 673954685 /nfs/dbraw/zinc/95/46/85/673954685.db2.gz SYIKXDZEEOYJLQ-UHFFFAOYSA-N 1 2 195.266 0.593 20 0 ACADLO Cc1nnc(C[N@@H+](C)CC[C@H](C)O)o1 128406762 1169177913 /nfs/dbraw/zinc/17/79/13/1169177913.db2.gz GCXSAZPGJMSXKA-ZETCQYMHSA-N 1 2 199.254 0.581 20 0 ACADLO Cc1nnc(C[N@H+](C)CC[C@H](C)O)o1 128406762 1169177917 /nfs/dbraw/zinc/17/79/17/1169177917.db2.gz GCXSAZPGJMSXKA-ZETCQYMHSA-N 1 2 199.254 0.581 20 0 ACADLO Cc1nnc(C[N@@H+](C)CC[C@@H](C)O)o1 128406547 1169178243 /nfs/dbraw/zinc/17/82/43/1169178243.db2.gz GCXSAZPGJMSXKA-SSDOTTSWSA-N 1 2 199.254 0.581 20 0 ACADLO Cc1nnc(C[N@H+](C)CC[C@@H](C)O)o1 128406547 1169178250 /nfs/dbraw/zinc/17/82/50/1169178250.db2.gz GCXSAZPGJMSXKA-SSDOTTSWSA-N 1 2 199.254 0.581 20 0 ACADLO C[N@H+](CCS(C)(=O)=O)C1CC1 221653624 673965238 /nfs/dbraw/zinc/96/52/38/673965238.db2.gz UZQNHYSACHNHEV-UHFFFAOYSA-N 1 2 177.269 0.125 20 0 ACADLO C[N@@H+](CCS(C)(=O)=O)C1CC1 221653624 673965241 /nfs/dbraw/zinc/96/52/41/673965241.db2.gz UZQNHYSACHNHEV-UHFFFAOYSA-N 1 2 177.269 0.125 20 0 ACADLO CCCNC(=O)C[NH2+]Cc1cnc[nH]1 54764109 673965281 /nfs/dbraw/zinc/96/52/81/673965281.db2.gz LXVXAWLNCPRLDR-UHFFFAOYSA-N 1 2 196.254 0.026 20 0 ACADLO CC(C)C[C@H](O)C[NH2+]Cc1ccn[nH]1 163819174 673965607 /nfs/dbraw/zinc/96/56/07/673965607.db2.gz JFCJJQKZCYPJCC-JTQLQIEISA-N 1 2 197.282 0.906 20 0 ACADLO CC(C)C[C@@H](O)C[NH2+]Cc1ccn[nH]1 163819302 673965741 /nfs/dbraw/zinc/96/57/41/673965741.db2.gz JFCJJQKZCYPJCC-SNVBAGLBSA-N 1 2 197.282 0.906 20 0 ACADLO CC(C)NC(=O)C[NH2+]Cc1cnc[nH]1 54764112 673965873 /nfs/dbraw/zinc/96/58/73/673965873.db2.gz UAPSVQFEVRNYMP-UHFFFAOYSA-N 1 2 196.254 0.024 20 0 ACADLO CC[NH+]1CC(NC(=O)C2CC=CC2)C1 1030175668 673967021 /nfs/dbraw/zinc/96/70/21/673967021.db2.gz UJGGZBONIWGSPN-UHFFFAOYSA-N 1 2 194.278 0.773 20 0 ACADLO Cc1nonc1C[N@@H+](C)C[C@H](C)O 69795738 673974409 /nfs/dbraw/zinc/97/44/09/673974409.db2.gz XVBAUFTWDSPAFV-LURJTMIESA-N 1 2 185.227 0.191 20 0 ACADLO Cc1nonc1C[N@H+](C)C[C@H](C)O 69795738 673974413 /nfs/dbraw/zinc/97/44/13/673974413.db2.gz XVBAUFTWDSPAFV-LURJTMIESA-N 1 2 185.227 0.191 20 0 ACADLO CC[N@H+](CCO)Cc1nonc1C 69795718 673974516 /nfs/dbraw/zinc/97/45/16/673974516.db2.gz UZUSCOJHGLKZTM-UHFFFAOYSA-N 1 2 185.227 0.192 20 0 ACADLO CC[N@@H+](CCO)Cc1nonc1C 69795718 673974517 /nfs/dbraw/zinc/97/45/17/673974517.db2.gz UZUSCOJHGLKZTM-UHFFFAOYSA-N 1 2 185.227 0.192 20 0 ACADLO Cc1nonc1C[N@@H+](C)C[C@@H](C)O 69795737 673974583 /nfs/dbraw/zinc/97/45/83/673974583.db2.gz XVBAUFTWDSPAFV-ZCFIWIBFSA-N 1 2 185.227 0.191 20 0 ACADLO Cc1nonc1C[N@H+](C)C[C@@H](C)O 69795737 673974585 /nfs/dbraw/zinc/97/45/85/673974585.db2.gz XVBAUFTWDSPAFV-ZCFIWIBFSA-N 1 2 185.227 0.191 20 0 ACADLO CCc1noc(C[N@H+](C)[C@H](C)CO)n1 158873815 673977523 /nfs/dbraw/zinc/97/75/23/673977523.db2.gz HQCUNOPNPHXKFO-SSDOTTSWSA-N 1 2 199.254 0.445 20 0 ACADLO CCc1noc(C[N@@H+](C)[C@H](C)CO)n1 158873815 673977524 /nfs/dbraw/zinc/97/75/24/673977524.db2.gz HQCUNOPNPHXKFO-SSDOTTSWSA-N 1 2 199.254 0.445 20 0 ACADLO CCc1nnc(C[N@H+](C)[C@H](C)CO)o1 158890005 673977597 /nfs/dbraw/zinc/97/75/97/673977597.db2.gz PKDFWVUUUYDYRE-SSDOTTSWSA-N 1 2 199.254 0.445 20 0 ACADLO CCc1nnc(C[N@@H+](C)[C@H](C)CO)o1 158890005 673977599 /nfs/dbraw/zinc/97/75/99/673977599.db2.gz PKDFWVUUUYDYRE-SSDOTTSWSA-N 1 2 199.254 0.445 20 0 ACADLO Cc1noc(C[N@@H+](C)[C@H](C)CO)n1 158877877 673977720 /nfs/dbraw/zinc/97/77/20/673977720.db2.gz WSPOIKHOWDZZEX-ZCFIWIBFSA-N 1 2 185.227 0.191 20 0 ACADLO Cc1noc(C[N@H+](C)[C@H](C)CO)n1 158877877 673977722 /nfs/dbraw/zinc/97/77/22/673977722.db2.gz WSPOIKHOWDZZEX-ZCFIWIBFSA-N 1 2 185.227 0.191 20 0 ACADLO Cc1cc(C[N@@H+](C)[C@H](C)CO)no1 158877583 673977813 /nfs/dbraw/zinc/97/78/13/673977813.db2.gz OUJUTYNVRDTXSG-SSDOTTSWSA-N 1 2 184.239 0.796 20 0 ACADLO Cc1cc(C[N@H+](C)[C@H](C)CO)no1 158877583 673977814 /nfs/dbraw/zinc/97/78/14/673977814.db2.gz OUJUTYNVRDTXSG-SSDOTTSWSA-N 1 2 184.239 0.796 20 0 ACADLO C[C@H](CO)[N@H+](C)Cc1nccn1C 158868447 673977827 /nfs/dbraw/zinc/97/78/27/673977827.db2.gz VXNNQWHVJAQIRX-MRVPVSSYSA-N 1 2 183.255 0.233 20 0 ACADLO C[C@H](CO)[N@@H+](C)Cc1nccn1C 158868447 673977828 /nfs/dbraw/zinc/97/78/28/673977828.db2.gz VXNNQWHVJAQIRX-MRVPVSSYSA-N 1 2 183.255 0.233 20 0 ACADLO Cn1c[nH+]cc1CN1CC=CCN1 705263411 673986318 /nfs/dbraw/zinc/98/63/18/673986318.db2.gz AHHDKCNVWXVLDV-UHFFFAOYSA-N 1 2 178.239 0.297 20 0 ACADLO C[C@@H]1COC[C@H]1[NH2+]CC(F)(F)CO 710836491 673997360 /nfs/dbraw/zinc/99/73/60/673997360.db2.gz KHUKPJWTKPGODV-RNFRBKRXSA-N 1 2 195.209 0.239 20 0 ACADLO C[C@H]1COC[C@H]1[NH2+]CC(F)(F)CO 710836488 673997398 /nfs/dbraw/zinc/99/73/98/673997398.db2.gz KHUKPJWTKPGODV-NKWVEPMBSA-N 1 2 195.209 0.239 20 0 ACADLO C[C@H]1COC[C@@H]1[NH2+]CC(F)(F)CO 710836486 673997489 /nfs/dbraw/zinc/99/74/89/673997489.db2.gz KHUKPJWTKPGODV-BQBZGAKWSA-N 1 2 195.209 0.239 20 0 ACADLO C[C@@H]1COC[C@@H]1[NH2+]CC(F)(F)CO 710836493 673997526 /nfs/dbraw/zinc/99/75/26/673997526.db2.gz KHUKPJWTKPGODV-RQJHMYQMSA-N 1 2 195.209 0.239 20 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/nfs/dbraw/zinc/01/13/06/674011306.db2.gz FUGCTMWMOXTFDS-VIFPVBQESA-N 1 2 194.282 0.512 20 0 ACADLO C[N@@H+]1CC[C@@H]1CNCc1cscn1 712583674 674011367 /nfs/dbraw/zinc/01/13/67/674011367.db2.gz XISZIAZHLUSZTP-SECBINFHSA-N 1 2 197.307 0.937 20 0 ACADLO C[N@H+]1CC[C@@H]1CNCc1cscn1 712583674 674011368 /nfs/dbraw/zinc/01/13/68/674011368.db2.gz XISZIAZHLUSZTP-SECBINFHSA-N 1 2 197.307 0.937 20 0 ACADLO Cc1cnc(CNC[C@H]2CC[N@H+]2C)o1 712563661 674011798 /nfs/dbraw/zinc/01/17/98/674011798.db2.gz LBBPNSDMYOFMNF-SECBINFHSA-N 1 2 195.266 0.777 20 0 ACADLO Cc1cnc(CNC[C@H]2CC[N@@H+]2C)o1 712563661 674011801 /nfs/dbraw/zinc/01/18/01/674011801.db2.gz LBBPNSDMYOFMNF-SECBINFHSA-N 1 2 195.266 0.777 20 0 ACADLO Cc1cc(CNC[C@@H]2CC[N@H+]2C)no1 712546488 674011977 /nfs/dbraw/zinc/01/19/77/674011977.db2.gz IIWUVAHBIPCGHG-JTQLQIEISA-N 1 2 195.266 0.777 20 0 ACADLO Cc1cc(CNC[C@@H]2CC[N@@H+]2C)no1 712546488 674011978 /nfs/dbraw/zinc/01/19/78/674011978.db2.gz IIWUVAHBIPCGHG-JTQLQIEISA-N 1 2 195.266 0.777 20 0 ACADLO C[N@@H+]1CC[C@H]1CNCc1ccon1 712548029 674011995 /nfs/dbraw/zinc/01/19/95/674011995.db2.gz MLQCVQMGJASURB-VIFPVBQESA-N 1 2 181.239 0.468 20 0 ACADLO C[N@H+]1CC[C@H]1CNCc1ccon1 712548029 674011996 /nfs/dbraw/zinc/01/19/96/674011996.db2.gz MLQCVQMGJASURB-VIFPVBQESA-N 1 2 181.239 0.468 20 0 ACADLO Cc1cnc(CNC[C@@H]2CC[N@H+]2C)o1 712563664 674012190 /nfs/dbraw/zinc/01/21/90/674012190.db2.gz LBBPNSDMYOFMNF-VIFPVBQESA-N 1 2 195.266 0.777 20 0 ACADLO Cc1cnc(CNC[C@@H]2CC[N@@H+]2C)o1 712563664 674012194 /nfs/dbraw/zinc/01/21/94/674012194.db2.gz LBBPNSDMYOFMNF-VIFPVBQESA-N 1 2 195.266 0.777 20 0 ACADLO Cn1ccc(CNC[C@H]2CC[N@@H+]2C)n1 712554276 674012320 /nfs/dbraw/zinc/01/23/20/674012320.db2.gz AIMCVAKADRYDAM-SNVBAGLBSA-N 1 2 194.282 0.214 20 0 ACADLO Cn1ccc(CNC[C@H]2CC[N@H+]2C)n1 712554276 674012322 /nfs/dbraw/zinc/01/23/22/674012322.db2.gz AIMCVAKADRYDAM-SNVBAGLBSA-N 1 2 194.282 0.214 20 0 ACADLO Cc1cc(CNC[C@H]2CC[N@H+]2C)no1 712546491 674012405 /nfs/dbraw/zinc/01/24/05/674012405.db2.gz IIWUVAHBIPCGHG-SNVBAGLBSA-N 1 2 195.266 0.777 20 0 ACADLO Cc1cc(CNC[C@H]2CC[N@@H+]2C)no1 712546491 674012406 /nfs/dbraw/zinc/01/24/06/674012406.db2.gz IIWUVAHBIPCGHG-SNVBAGLBSA-N 1 2 195.266 0.777 20 0 ACADLO Cn1ccc(CNC[C@@H]2CC[N@@H+]2C)n1 712554274 674012618 /nfs/dbraw/zinc/01/26/18/674012618.db2.gz AIMCVAKADRYDAM-JTQLQIEISA-N 1 2 194.282 0.214 20 0 ACADLO Cn1ccc(CNC[C@@H]2CC[N@H+]2C)n1 712554274 674012622 /nfs/dbraw/zinc/01/26/22/674012622.db2.gz AIMCVAKADRYDAM-JTQLQIEISA-N 1 2 194.282 0.214 20 0 ACADLO C[N@@H+]1CC[C@@H]1CNCc1ccon1 712548027 674012762 /nfs/dbraw/zinc/01/27/62/674012762.db2.gz MLQCVQMGJASURB-SECBINFHSA-N 1 2 181.239 0.468 20 0 ACADLO C[N@H+]1CC[C@@H]1CNCc1ccon1 712548027 674012764 /nfs/dbraw/zinc/01/27/64/674012764.db2.gz MLQCVQMGJASURB-SECBINFHSA-N 1 2 181.239 0.468 20 0 ACADLO CCCn1cc(C[NH2+]CCF)nn1 714433035 674017892 /nfs/dbraw/zinc/01/78/92/674017892.db2.gz ILEPRZFFVUURAT-UHFFFAOYSA-N 1 2 186.234 0.747 20 0 ACADLO CC(=O)C[N@H+]1C[C@@H]2[C@H](C1)C2(F)F 715473563 674021108 /nfs/dbraw/zinc/02/11/08/674021108.db2.gz NWHPMLDATQXVGI-KNVOCYPGSA-N 1 2 175.178 0.772 20 0 ACADLO CC(=O)C[N@@H+]1C[C@@H]2[C@H](C1)C2(F)F 715473563 674021111 /nfs/dbraw/zinc/02/11/11/674021111.db2.gz NWHPMLDATQXVGI-KNVOCYPGSA-N 1 2 175.178 0.772 20 0 ACADLO c1c[nH]c(C[NH2+]CC2OCCCO2)n1 716362377 674024914 /nfs/dbraw/zinc/02/49/14/674024914.db2.gz KWBKPSAVPBCHGW-UHFFFAOYSA-N 1 2 197.238 0.262 20 0 ACADLO CC(=O)N1CC(n2cc[nH+]c2)C1 147862795 1169239797 /nfs/dbraw/zinc/23/97/97/1169239797.db2.gz OBJZMKWUDQFBKQ-UHFFFAOYSA-N 1 2 165.196 0.286 20 0 ACADLO C[C@H]([NH2+]CCF)c1cn(C)nn1 715850471 674022899 /nfs/dbraw/zinc/02/28/99/674022899.db2.gz JGFUZYOFDLYFAR-LURJTMIESA-N 1 2 172.207 0.435 20 0 ACADLO C[C@@H]([NH2+]CCF)c1cn(C)nn1 715850472 674023091 /nfs/dbraw/zinc/02/30/91/674023091.db2.gz JGFUZYOFDLYFAR-ZCFIWIBFSA-N 1 2 172.207 0.435 20 0 ACADLO CNC(=O)CCc1[nH]cc[nH+]1 147916492 1169241720 /nfs/dbraw/zinc/24/17/20/1169241720.db2.gz ONBOCFFBIJFVKP-UHFFFAOYSA-N 1 2 153.185 0.088 20 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Cc1nnc(C[N@@H+]2CC[C@@](C)(O)C2)o1 226203841 1169375195 /nfs/dbraw/zinc/37/51/95/1169375195.db2.gz FSLRBNMWLDBBJZ-SECBINFHSA-N 1 2 197.238 0.335 20 0 ACADLO Cc1nnc(C[N@H+]2CC[C@@](C)(O)C2)o1 226203841 1169375200 /nfs/dbraw/zinc/37/52/00/1169375200.db2.gz FSLRBNMWLDBBJZ-SECBINFHSA-N 1 2 197.238 0.335 20 0 ACADLO Cn1cc(C[NH2+]Cc2ccno2)cn1 226323991 1169376531 /nfs/dbraw/zinc/37/65/31/1169376531.db2.gz QQUJOCFGNJTFOH-UHFFFAOYSA-N 1 2 192.222 0.698 20 0 ACADLO C[C@H](O)C[NH2+]CC(F)(F)C(F)F 230690048 1169401773 /nfs/dbraw/zinc/40/17/73/1169401773.db2.gz IWGLLKSOOCIUPV-BYPYZUCNSA-N 1 2 189.152 0.857 20 0 ACADLO C[C@@H](O)C[NH2+]CC(F)(F)C(F)F 230690045 1169402070 /nfs/dbraw/zinc/40/20/70/1169402070.db2.gz IWGLLKSOOCIUPV-SCSAIBSYSA-N 1 2 189.152 0.857 20 0 ACADLO CC(=O)NCC[NH2+]Cc1ncc(C)o1 231652176 1169404406 /nfs/dbraw/zinc/40/44/06/1169404406.db2.gz KCRKDUFKGMOZDR-UHFFFAOYSA-N 1 2 197.238 0.209 20 0 ACADLO Cn1cncc1C[NH2+]Cc1ccno1 231884534 1169407318 /nfs/dbraw/zinc/40/73/18/1169407318.db2.gz CYDIQDHTBFGNJJ-UHFFFAOYSA-N 1 2 192.222 0.698 20 0 ACADLO CO[C@H]1CCN(c2cc(N)nc[nH+]2)C1 234970236 1169417137 /nfs/dbraw/zinc/41/71/37/1169417137.db2.gz WNLDJEVJFLSHGB-ZETCQYMHSA-N 1 2 194.238 0.284 20 0 ACADLO C[C@]1(O)CCN(c2cc(N)nc[nH+]2)C1 235773159 1169418260 /nfs/dbraw/zinc/41/82/60/1169418260.db2.gz JYFGEEFJSNWHBE-VIFPVBQESA-N 1 2 194.238 0.020 20 0 ACADLO CCOC(=O)c1c2c(nn1C)C[NH2+]C2 260095188 1169446888 /nfs/dbraw/zinc/44/68/88/1169446888.db2.gz JNOBZNARQXHPRL-UHFFFAOYSA-N 1 2 195.222 0.200 20 0 ACADLO CO[C@@H]1CCN(c2cc(N)nc[nH+]2)C1 300046524 1169459612 /nfs/dbraw/zinc/45/96/12/1169459612.db2.gz WNLDJEVJFLSHGB-SSDOTTSWSA-N 1 2 194.238 0.284 20 0 ACADLO CC[NH+]1CC(NC(=O)c2ccco2)C1 306276255 1169470270 /nfs/dbraw/zinc/47/02/70/1169470270.db2.gz LSVPVOQRJCWSHD-UHFFFAOYSA-N 1 2 194.234 0.714 20 0 ACADLO CC[NH+]1CC(NC(=O)C(C)C)C1 306378945 1169474707 /nfs/dbraw/zinc/47/47/07/1169474707.db2.gz PDXSHEBYYBERRP-UHFFFAOYSA-N 1 2 170.256 0.463 20 0 ACADLO C[C@@H]([NH2+][C@@H]1CCOC1)c1ncn(C)n1 306425074 1169478475 /nfs/dbraw/zinc/47/84/75/1169478475.db2.gz JBUOPRHSGSLOEY-HTQZYQBOSA-N 1 2 196.254 0.255 20 0 ACADLO C[C@H]([NH2+][C@@H]1CCOC1)c1ncn(C)n1 306425075 1169479567 /nfs/dbraw/zinc/47/95/67/1169479567.db2.gz JBUOPRHSGSLOEY-JGVFFNPUSA-N 1 2 196.254 0.255 20 0 ACADLO C[C@H]([NH2+][C@H]1CCOC1)c1ncn(C)n1 306425077 1169478676 /nfs/dbraw/zinc/47/86/76/1169478676.db2.gz JBUOPRHSGSLOEY-YUMQZZPRSA-N 1 2 196.254 0.255 20 0 ACADLO C[C@@H]([NH2+][C@H]1CCOC1)c1ncn(C)n1 306425076 1169478710 /nfs/dbraw/zinc/47/87/10/1169478710.db2.gz JBUOPRHSGSLOEY-SFYZADRCSA-N 1 2 196.254 0.255 20 0 ACADLO Cn1c[nH+]cc1Cn1ccncc1=O 306924109 1169492763 /nfs/dbraw/zinc/49/27/63/1169492763.db2.gz IFUOTYQTKNREAS-UHFFFAOYSA-N 1 2 190.206 0.025 20 0 ACADLO C1C[NH2+][C@@H](c2noc([C@H]3CCN3)n2)C1 306956640 1169495370 /nfs/dbraw/zinc/49/53/70/1169495370.db2.gz RWBHTKSBLWAHIR-RNFRBKRXSA-N 1 2 194.238 0.529 20 0 ACADLO C1C[NH2+][C@H](c2noc([C@H]3CCN3)n2)C1 306956639 1169496549 /nfs/dbraw/zinc/49/65/49/1169496549.db2.gz RWBHTKSBLWAHIR-NKWVEPMBSA-N 1 2 194.238 0.529 20 0 ACADLO C[C@H](O)c1cn(Cc2[nH]cc[nH+]2)nn1 307055458 1169499197 /nfs/dbraw/zinc/49/91/97/1169499197.db2.gz YZMUCXTUHPJYOK-LURJTMIESA-N 1 2 193.210 0.103 20 0 ACADLO CC[NH+]1CC(NC(=O)C(C)(C)C)C1 307095513 1169501289 /nfs/dbraw/zinc/50/12/89/1169501289.db2.gz CIVCDQYARXNFDQ-UHFFFAOYSA-N 1 2 184.283 0.853 20 0 ACADLO CN1C[C@@H](Cn2cc[nH+]c2)OC1=O 307244079 1169510577 /nfs/dbraw/zinc/51/05/77/1169510577.db2.gz KTWUSGMHEZKPPF-ZETCQYMHSA-N 1 2 181.195 0.334 20 0 ACADLO CN1C[C@H](Cn2cc[nH+]c2)OC1=O 307244078 1169511916 /nfs/dbraw/zinc/51/19/16/1169511916.db2.gz KTWUSGMHEZKPPF-SSDOTTSWSA-N 1 2 181.195 0.334 20 0 ACADLO O[C@@H]1CC[C@H]1[NH2+]Cc1csnn1 307385834 1169516676 /nfs/dbraw/zinc/51/66/76/1169516676.db2.gz KWIBQANEQAUKAU-RNFRBKRXSA-N 1 2 185.252 0.151 20 0 ACADLO Cc1nnc(C[N@H+]2C[C@@H](C)[C@@H](O)C2)o1 307596314 1169530861 /nfs/dbraw/zinc/53/08/61/1169530861.db2.gz 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197.238 0.191 20 0 ACADLO Cc1nnc(C[N@H+]2C[C@@H](O)[C@H](C)C2)o1 307596312 1169532196 /nfs/dbraw/zinc/53/21/96/1169532196.db2.gz LUJMNRPUVMJBMQ-HTRCEHHLSA-N 1 2 197.238 0.191 20 0 ACADLO Cc1[nH]ncc1C[NH2+][C@@H]1CCC[C@H]1O 307717591 1169539287 /nfs/dbraw/zinc/53/92/87/1169539287.db2.gz JXWOKKXEODRGAB-NXEZZACHSA-N 1 2 195.266 0.721 20 0 ACADLO CC[C@@H]([NH2+]C[C@H](C)O)c1noc(C)n1 308565787 1169551850 /nfs/dbraw/zinc/55/18/50/1169551850.db2.gz AQIBWOCGBJIJRX-POYBYMJQSA-N 1 2 199.254 0.800 20 0 ACADLO CO[C@H](C)CN(C)c1cc(N)nc[nH+]1 308590677 1169551902 /nfs/dbraw/zinc/55/19/02/1169551902.db2.gz OOBPOLDQYGAUBA-SSDOTTSWSA-N 1 2 196.254 0.530 20 0 ACADLO Cn1ncc(C[NH2+]C(C)(C)CF)n1 378854303 1169563429 /nfs/dbraw/zinc/56/34/29/1169563429.db2.gz ITONFLVMQSOHFU-UHFFFAOYSA-N 1 2 186.234 0.653 20 0 ACADLO Cc1noc([C@H](C)[NH2+]CCO)n1 379316123 1169569196 /nfs/dbraw/zinc/56/91/96/1169569196.db2.gz WZSQZLALKHAFEU-YFKPBYRVSA-N 1 2 171.200 0.021 20 0 ACADLO Cc1noc([C@@H](C)[NH2+]CCO)n1 379316122 1169569240 /nfs/dbraw/zinc/56/92/40/1169569240.db2.gz WZSQZLALKHAFEU-RXMQYKEDSA-N 1 2 171.200 0.021 20 0 ACADLO O=C(CCc1[nH]cc[nH+]1)NCCF 379364720 1169574765 /nfs/dbraw/zinc/57/47/65/1169574765.db2.gz NFGKZQHCCCWDLJ-UHFFFAOYSA-N 1 2 185.202 0.428 20 0 ACADLO Cc1nc([C@H](C)[NH2+]CCCO)no1 379381026 1169579883 /nfs/dbraw/zinc/57/98/83/1169579883.db2.gz CSAFVJPVFFQBOY-LURJTMIESA-N 1 2 185.227 0.411 20 0 ACADLO Cc1nc([C@@H](C)[NH2+]CCCO)no1 379381028 1169579924 /nfs/dbraw/zinc/57/99/24/1169579924.db2.gz CSAFVJPVFFQBOY-ZCFIWIBFSA-N 1 2 185.227 0.411 20 0 ACADLO C[C@@H](C(=O)NCCF)n1cc[nH+]c1 379416071 1169584764 /nfs/dbraw/zinc/58/47/64/1169584764.db2.gz QWVWWSIJCODBMX-ZETCQYMHSA-N 1 2 185.202 0.530 20 0 ACADLO C[C@H](C(=O)NCCF)n1cc[nH+]c1 379416070 1169585237 /nfs/dbraw/zinc/58/52/37/1169585237.db2.gz QWVWWSIJCODBMX-SSDOTTSWSA-N 1 2 185.202 0.530 20 0 ACADLO Cc1nc([C@H](C)[NH2+][C@H](C)[C@H](C)O)no1 379610919 1169592013 /nfs/dbraw/zinc/59/20/13/1169592013.db2.gz UCHNGVHEOGNRGZ-VQVTYTSYSA-N 1 2 199.254 0.798 20 0 ACADLO Cc1nc([C@H](C)[NH2+][C@H](C)[C@@H](C)O)no1 379610917 1169592081 /nfs/dbraw/zinc/59/20/81/1169592081.db2.gz UCHNGVHEOGNRGZ-DSYKOEDSSA-N 1 2 199.254 0.798 20 0 ACADLO CC[C@@H](O)C[NH2+][C@@H](C)c1noc(C)n1 379618002 1169592219 /nfs/dbraw/zinc/59/22/19/1169592219.db2.gz ATNNSZDOIPGSSG-POYBYMJQSA-N 1 2 199.254 0.800 20 0 ACADLO C[C@@H]([NH2+]Cc1ncccc1F)C(N)=O 379615299 1169592387 /nfs/dbraw/zinc/59/23/87/1169592387.db2.gz YNKXUYSBGXWIHB-ZCFIWIBFSA-N 1 2 197.213 0.184 20 0 ACADLO CC[C@@H](O)C[NH2+][C@H](C)c1noc(C)n1 379617997 1169593087 /nfs/dbraw/zinc/59/30/87/1169593087.db2.gz ATNNSZDOIPGSSG-HTRCEHHLSA-N 1 2 199.254 0.800 20 0 ACADLO Cc1nc([C@H](C)[NH2+][C@@H](C)[C@H](C)O)no1 379610916 1169593147 /nfs/dbraw/zinc/59/31/47/1169593147.db2.gz UCHNGVHEOGNRGZ-ACZMJKKPSA-N 1 2 199.254 0.798 20 0 ACADLO Cc1nc([C@H](C)[NH2+][C@@H](C)[C@@H](C)O)no1 379610918 1169593594 /nfs/dbraw/zinc/59/35/94/1169593594.db2.gz UCHNGVHEOGNRGZ-LYFYHCNISA-N 1 2 199.254 0.798 20 0 ACADLO CC[C@@H]([NH2+]Cc1ccn[nH]1)[C@H](C)O 386917893 1169613231 /nfs/dbraw/zinc/61/32/31/1169613231.db2.gz QYZSWWIQYZZZPM-IONNQARKSA-N 1 2 183.255 0.659 20 0 ACADLO CC[C@H]([NH2+]Cc1ccn[nH]1)[C@H](C)O 386917892 1169613899 /nfs/dbraw/zinc/61/38/99/1169613899.db2.gz QYZSWWIQYZZZPM-CBAPKCEASA-N 1 2 183.255 0.659 20 0 ACADLO CC[C@H]([NH2+]Cc1ccn[nH]1)[C@@H](C)O 386917891 1169614528 /nfs/dbraw/zinc/61/45/28/1169614528.db2.gz QYZSWWIQYZZZPM-APPZFPTMSA-N 1 2 183.255 0.659 20 0 ACADLO CC[C@@H]([NH2+]Cc1ccn[nH]1)[C@@H](C)O 386917894 1169616439 /nfs/dbraw/zinc/61/64/39/1169616439.db2.gz QYZSWWIQYZZZPM-VXNVDRBHSA-N 1 2 183.255 0.659 20 0 ACADLO CONC(=O)CCc1c[nH]c[nH+]1 388512173 1169626265 /nfs/dbraw/zinc/62/62/65/1169626265.db2.gz RRBPYGYNHWALNX-UHFFFAOYSA-N 1 2 169.184 0.020 20 0 ACADLO CONC(=O)CCc1c[nH+]c[nH]1 388512173 1169626269 /nfs/dbraw/zinc/62/62/69/1169626269.db2.gz RRBPYGYNHWALNX-UHFFFAOYSA-N 1 2 169.184 0.020 20 0 ACADLO CC(C)[NH2+]CC(=O)N=S(C)(C)=O 388477292 1169628064 /nfs/dbraw/zinc/62/80/64/1169628064.db2.gz RQMFENATSFHNOD-UHFFFAOYSA-N 1 2 192.284 0.239 20 0 ACADLO Cc1nnc([C@H](C)[N@H+](C)CCO)o1 388579983 1169629095 /nfs/dbraw/zinc/62/90/95/1169629095.db2.gz AYFQBDCJVBLDFA-LURJTMIESA-N 1 2 185.227 0.363 20 0 ACADLO Cc1nnc([C@H](C)[N@@H+](C)CCO)o1 388579983 1169629098 /nfs/dbraw/zinc/62/90/98/1169629098.db2.gz AYFQBDCJVBLDFA-LURJTMIESA-N 1 2 185.227 0.363 20 0 ACADLO Cc1nnc([C@@H](C)[N@H+](C)CCO)o1 388579988 1169629682 /nfs/dbraw/zinc/62/96/82/1169629682.db2.gz AYFQBDCJVBLDFA-ZCFIWIBFSA-N 1 2 185.227 0.363 20 0 ACADLO Cc1nnc([C@@H](C)[N@@H+](C)CCO)o1 388579988 1169629685 /nfs/dbraw/zinc/62/96/85/1169629685.db2.gz AYFQBDCJVBLDFA-ZCFIWIBFSA-N 1 2 185.227 0.363 20 0 ACADLO COCCc1nnc(C[NH+](C)C)o1 388678185 1169631962 /nfs/dbraw/zinc/63/19/62/1169631962.db2.gz ZOGIFJZATUKZDT-UHFFFAOYSA-N 1 2 185.227 0.320 20 0 ACADLO COCC[NH2+][C@H](C)c1nnc(C)o1 388772334 1169633665 /nfs/dbraw/zinc/63/36/65/1169633665.db2.gz HFXREZVQKFTRNF-ZCFIWIBFSA-N 1 2 185.227 0.675 20 0 ACADLO COCC[NH2+][C@@H](C)c1nnc(C)o1 388772328 1169633858 /nfs/dbraw/zinc/63/38/58/1169633858.db2.gz HFXREZVQKFTRNF-LURJTMIESA-N 1 2 185.227 0.675 20 0 ACADLO C[C@@H]([C@@H](C)O)[N@H+](C)Cc1nncn1C 389300811 1169639097 /nfs/dbraw/zinc/63/90/97/1169639097.db2.gz LXWQZGOURDCXSZ-JGVFFNPUSA-N 1 2 198.270 0.016 20 0 ACADLO C[C@H](O)[C@H](C)[N@H+](C)Cc1nncn1C 389300847 1169638546 /nfs/dbraw/zinc/63/85/46/1169638546.db2.gz LXWQZGOURDCXSZ-YUMQZZPRSA-N 1 2 198.270 0.016 20 0 ACADLO C[C@H](O)[C@H](C)[N@@H+](C)Cc1nncn1C 389300847 1169638551 /nfs/dbraw/zinc/63/85/51/1169638551.db2.gz LXWQZGOURDCXSZ-YUMQZZPRSA-N 1 2 198.270 0.016 20 0 ACADLO C[C@@H]([C@@H](C)O)[N@@H+](C)Cc1nncn1C 389300811 1169639101 /nfs/dbraw/zinc/63/91/01/1169639101.db2.gz LXWQZGOURDCXSZ-JGVFFNPUSA-N 1 2 198.270 0.016 20 0 ACADLO C[C@H](O)[C@@H](C)[N@H+](C)Cc1nncn1C 389300841 1169639145 /nfs/dbraw/zinc/63/91/45/1169639145.db2.gz LXWQZGOURDCXSZ-SFYZADRCSA-N 1 2 198.270 0.016 20 0 ACADLO C[C@H](O)[C@@H](C)[N@@H+](C)Cc1nncn1C 389300841 1169639149 /nfs/dbraw/zinc/63/91/49/1169639149.db2.gz LXWQZGOURDCXSZ-SFYZADRCSA-N 1 2 198.270 0.016 20 0 ACADLO C[C@@H](O)[C@@H](C)[N@H+](C)Cc1nncn1C 389300807 1169639462 /nfs/dbraw/zinc/63/94/62/1169639462.db2.gz LXWQZGOURDCXSZ-HTQZYQBOSA-N 1 2 198.270 0.016 20 0 ACADLO C[C@@H](O)[C@@H](C)[N@@H+](C)Cc1nncn1C 389300807 1169639467 /nfs/dbraw/zinc/63/94/67/1169639467.db2.gz LXWQZGOURDCXSZ-HTQZYQBOSA-N 1 2 198.270 0.016 20 0 ACADLO CC(CO)(CO)CNc1cccc[nH+]1 393857590 1169646253 /nfs/dbraw/zinc/64/62/53/1169646253.db2.gz QDHFOFMYGYRNMA-UHFFFAOYSA-N 1 2 196.250 0.484 20 0 ACADLO CC[C@@H](CO)[N@H+](C)Cc1nnc(C)[nH]1 393945635 1169646631 /nfs/dbraw/zinc/64/66/31/1169646631.db2.gz MJUHNMHCNMUZOR-QMMMGPOBSA-N 1 2 198.270 0.316 20 0 ACADLO CC[C@@H](CO)[N@@H+](C)Cc1nnc(C)[nH]1 393945635 1169646638 /nfs/dbraw/zinc/64/66/38/1169646638.db2.gz MJUHNMHCNMUZOR-QMMMGPOBSA-N 1 2 198.270 0.316 20 0 ACADLO CC[C@H](CO)[N@H+](C)Cc1nnc(C)[nH]1 393945633 1169647963 /nfs/dbraw/zinc/64/79/63/1169647963.db2.gz MJUHNMHCNMUZOR-MRVPVSSYSA-N 1 2 198.270 0.316 20 0 ACADLO CC[C@H](CO)[N@@H+](C)Cc1nnc(C)[nH]1 393945633 1169647972 /nfs/dbraw/zinc/64/79/72/1169647972.db2.gz MJUHNMHCNMUZOR-MRVPVSSYSA-N 1 2 198.270 0.316 20 0 ACADLO Cc1cnc(C[NH2+][C@H](C)C(N)=O)s1 394747229 1169649228 /nfs/dbraw/zinc/64/92/28/1169649228.db2.gz NSKLHZQTKFSVEL-ZCFIWIBFSA-N 1 2 199.279 0.415 20 0 ACADLO c1cnc(CCn2cc[nH+]c2)cn1 402621054 1169679394 /nfs/dbraw/zinc/67/93/94/1169679394.db2.gz UYWJGPZDYCRUDW-UHFFFAOYSA-N 1 2 174.207 0.916 20 0 ACADLO CCCONC(=O)CCn1cc[nH+]c1 686766667 1169699456 /nfs/dbraw/zinc/69/94/56/1169699456.db2.gz JBTKTFHNJAHAGN-UHFFFAOYSA-N 1 2 197.238 0.731 20 0 ACADLO O[C@H]1CCC[N@H+](Cc2cnn[nH]2)CC1 1170710461 1169807006 /nfs/dbraw/zinc/80/70/06/1169807006.db2.gz JTHZPEZNBNNOFE-VIFPVBQESA-N 1 2 196.254 0.152 20 0 ACADLO O[C@H]1CCC[N@@H+](Cc2cnn[nH]2)CC1 1170710461 1169807014 /nfs/dbraw/zinc/80/70/14/1169807014.db2.gz JTHZPEZNBNNOFE-VIFPVBQESA-N 1 2 196.254 0.152 20 0 ACADLO O[C@H]1CCC[N@H+](Cc2c[nH]nn2)CC1 1170710461 1169807021 /nfs/dbraw/zinc/80/70/21/1169807021.db2.gz JTHZPEZNBNNOFE-VIFPVBQESA-N 1 2 196.254 0.152 20 0 ACADLO O[C@H]1CCC[N@@H+](Cc2c[nH]nn2)CC1 1170710461 1169807030 /nfs/dbraw/zinc/80/70/30/1169807030.db2.gz JTHZPEZNBNNOFE-VIFPVBQESA-N 1 2 196.254 0.152 20 0 ACADLO C[N@H+](CCF)C(C)(C)C(N)=O 1170594625 1169809077 /nfs/dbraw/zinc/80/90/77/1169809077.db2.gz VMBDKFQHDXIXFG-UHFFFAOYSA-N 1 2 162.208 0.152 20 0 ACADLO C[N@@H+](CCF)C(C)(C)C(N)=O 1170594625 1169809087 /nfs/dbraw/zinc/80/90/87/1169809087.db2.gz VMBDKFQHDXIXFG-UHFFFAOYSA-N 1 2 162.208 0.152 20 0 ACADLO O[C@@H]1CCC[N@H+](Cc2cnn[nH]2)CC1 1170710460 1169809403 /nfs/dbraw/zinc/80/94/03/1169809403.db2.gz JTHZPEZNBNNOFE-SECBINFHSA-N 1 2 196.254 0.152 20 0 ACADLO O[C@@H]1CCC[N@@H+](Cc2cnn[nH]2)CC1 1170710460 1169809414 /nfs/dbraw/zinc/80/94/14/1169809414.db2.gz JTHZPEZNBNNOFE-SECBINFHSA-N 1 2 196.254 0.152 20 0 ACADLO O[C@@H]1CCC[N@H+](Cc2c[nH]nn2)CC1 1170710460 1169809423 /nfs/dbraw/zinc/80/94/23/1169809423.db2.gz JTHZPEZNBNNOFE-SECBINFHSA-N 1 2 196.254 0.152 20 0 ACADLO O[C@@H]1CCC[N@@H+](Cc2c[nH]nn2)CC1 1170710460 1169809433 /nfs/dbraw/zinc/80/94/33/1169809433.db2.gz JTHZPEZNBNNOFE-SECBINFHSA-N 1 2 196.254 0.152 20 0 ACADLO C[NH+](C)Cc1nnc([C@H]2CCOC2)o1 1255505802 1169941725 /nfs/dbraw/zinc/94/17/25/1169941725.db2.gz WEAMXDDIFVAFIT-ZETCQYMHSA-N 1 2 197.238 0.635 20 0 ACADLO C[NH+](C)Cc1nnc([C@@H]2CCOC2)o1 1255505794 1169945130 /nfs/dbraw/zinc/94/51/30/1169945130.db2.gz WEAMXDDIFVAFIT-SSDOTTSWSA-N 1 2 197.238 0.635 20 0 ACADLO [NH3+]CC[NH+]1CCC2(CC1)C[C@H]2C(=O)[O-] 405455999 973884727 /nfs/dbraw/zinc/88/47/27/973884727.db2.gz SOTXCJRAEPCMOT-QMMMGPOBSA-N 1 2 198.266 0.132 20 0 ACADLO [NH3+]CC[NH+]1CCC2(CC1)C[C@@H]2C(=O)[O-] 405455986 973885164 /nfs/dbraw/zinc/88/51/64/973885164.db2.gz SOTXCJRAEPCMOT-MRVPVSSYSA-N 1 2 198.266 0.132 20 0 ACADLO Nc1ccn(CCn2cc[nH+]c2)n1 70946055 566262745 /nfs/dbraw/zinc/26/27/45/566262745.db2.gz WPIYMASUEYDWGL-UHFFFAOYSA-N 1 2 177.211 0.362 20 0 ACADLO Cn1cnc(C[NH+]2CCSCC2)c1 306225343 566292065 /nfs/dbraw/zinc/29/20/65/566292065.db2.gz FDPPAWKUFUYKJT-UHFFFAOYSA-N 1 2 197.307 0.969 20 0 ACADLO Cc1noc([C@@H](C)[N@H+](C)CCO)n1 308342964 566300146 /nfs/dbraw/zinc/30/01/46/566300146.db2.gz SCDVDXKGLUREDN-ZCFIWIBFSA-N 1 2 185.227 0.363 20 0 ACADLO Cc1noc([C@@H](C)[N@@H+](C)CCO)n1 308342964 566300156 /nfs/dbraw/zinc/30/01/56/566300156.db2.gz SCDVDXKGLUREDN-ZCFIWIBFSA-N 1 2 185.227 0.363 20 0 ACADLO Cc1noc([C@H](C)[N@H+](C)CCO)n1 308342963 566300172 /nfs/dbraw/zinc/30/01/72/566300172.db2.gz SCDVDXKGLUREDN-LURJTMIESA-N 1 2 185.227 0.363 20 0 ACADLO Cc1noc([C@H](C)[N@@H+](C)CCO)n1 308342963 566300180 /nfs/dbraw/zinc/30/01/80/566300180.db2.gz SCDVDXKGLUREDN-LURJTMIESA-N 1 2 185.227 0.363 20 0 ACADLO Cc1nnc(C[N@H+](C)[C@H](C)CCO)o1 1261504685 1170114380 /nfs/dbraw/zinc/11/43/80/1170114380.db2.gz NYGBKRFWASXIGO-SSDOTTSWSA-N 1 2 199.254 0.581 20 0 ACADLO Cc1nnc(C[N@@H+](C)[C@H](C)CCO)o1 1261504685 1170114374 /nfs/dbraw/zinc/11/43/74/1170114374.db2.gz NYGBKRFWASXIGO-SSDOTTSWSA-N 1 2 199.254 0.581 20 0 ACADLO Cc1nnc(C[N@@H+](C)[C@@H](C)CCO)o1 1261504686 1170115356 /nfs/dbraw/zinc/11/53/56/1170115356.db2.gz NYGBKRFWASXIGO-ZETCQYMHSA-N 1 2 199.254 0.581 20 0 ACADLO Cc1nnc(C[N@H+](C)[C@@H](C)CCO)o1 1261504686 1170115360 /nfs/dbraw/zinc/11/53/60/1170115360.db2.gz NYGBKRFWASXIGO-ZETCQYMHSA-N 1 2 199.254 0.581 20 0 ACADLO C[C@H]1OCC[C@@]1(C)[NH2+]Cc1nnc[nH]1 1261638545 1170116532 /nfs/dbraw/zinc/11/65/32/1170116532.db2.gz FIOJAHHUXZUQPC-VXNVDRBHSA-N 1 2 196.254 0.462 20 0 ACADLO C[C@@H]1OCC[C@@]1(C)[NH2+]Cc1nnc[nH]1 1261638544 1170117542 /nfs/dbraw/zinc/11/75/42/1170117542.db2.gz FIOJAHHUXZUQPC-IONNQARKSA-N 1 2 196.254 0.462 20 0 ACADLO C[C@H]1OCC[C@]1(C)[NH2+]Cc1nnc[nH]1 1261638542 1170118042 /nfs/dbraw/zinc/11/80/42/1170118042.db2.gz FIOJAHHUXZUQPC-APPZFPTMSA-N 1 2 196.254 0.462 20 0 ACADLO C[C@@H]1OCC[C@]1(C)[NH2+]Cc1nnc[nH]1 1261638543 1170118099 /nfs/dbraw/zinc/11/80/99/1170118099.db2.gz FIOJAHHUXZUQPC-CBAPKCEASA-N 1 2 196.254 0.462 20 0 ACADLO CC(C)[C@H]([NH2+]C[C@H](C)O)c1ncon1 1262572650 1170132707 /nfs/dbraw/zinc/13/27/07/1170132707.db2.gz AJDRGIHDKFFXAM-YUMQZZPRSA-N 1 2 199.254 0.737 20 0 ACADLO CC(C)[C@@H]([NH2+]C[C@H](C)O)c1ncon1 1262572649 1170133252 /nfs/dbraw/zinc/13/32/52/1170133252.db2.gz AJDRGIHDKFFXAM-JGVFFNPUSA-N 1 2 199.254 0.737 20 0 ACADLO CCc1ccc(N(C)CC(N)=O)[nH+]c1 1262678438 1170136562 /nfs/dbraw/zinc/13/65/62/1170136562.db2.gz ACUGWVYIYQJOHV-UHFFFAOYSA-N 1 2 193.250 0.566 20 0 ACADLO CCN(OC)C(=O)Cc1[nH]c[nH+]c1C 1263937619 1170149783 /nfs/dbraw/zinc/14/97/83/1170149783.db2.gz KIUBTZKNCWEHEC-UHFFFAOYSA-N 1 2 197.238 0.671 20 0 ACADLO CC[C@H](F)C(=O)NC1C[NH+](CC)C1 1268439084 1170152212 /nfs/dbraw/zinc/15/22/12/1170152212.db2.gz YOUXTMWJSLTWKL-QMMMGPOBSA-N 1 2 188.246 0.555 20 0 ACADLO CC[C@@H](F)C(=O)NC1C[NH+](CC)C1 1268439079 1170153003 /nfs/dbraw/zinc/15/30/03/1170153003.db2.gz YOUXTMWJSLTWKL-MRVPVSSYSA-N 1 2 188.246 0.555 20 0 ACADLO O=C(Cc1c[nH]c[nH+]1)Nc1cn[nH]c1 1302498489 1170177618 /nfs/dbraw/zinc/17/76/18/1170177618.db2.gz RIARMWPSDOTWMS-UHFFFAOYSA-N 1 2 191.194 0.314 20 0 ACADLO Cc1[nH+]ccn1Cc1c[nH]nn1 1307320046 1170181150 /nfs/dbraw/zinc/18/11/50/1170181150.db2.gz SHWCFWJRKQIHIO-UHFFFAOYSA-N 1 2 163.184 0.358 20 0 ACADLO Cc1nnc([C@@H](C)[N@@H+](C)C[C@H](C)O)[nH]1 1307477492 1170181733 /nfs/dbraw/zinc/18/17/33/1170181733.db2.gz CEZSBKFFZGGEDV-NKWVEPMBSA-N 1 2 198.270 0.487 20 0 ACADLO Cc1nnc([C@@H](C)[N@H+](C)C[C@H](C)O)[nH]1 1307477492 1170181738 /nfs/dbraw/zinc/18/17/38/1170181738.db2.gz CEZSBKFFZGGEDV-NKWVEPMBSA-N 1 2 198.270 0.487 20 0 ACADLO Cc1nnc([C@@H](C)[N@@H+](C)C[C@@H](C)O)[nH]1 1307477493 1170182883 /nfs/dbraw/zinc/18/28/83/1170182883.db2.gz CEZSBKFFZGGEDV-RNFRBKRXSA-N 1 2 198.270 0.487 20 0 ACADLO Cc1nnc([C@@H](C)[N@H+](C)C[C@@H](C)O)[nH]1 1307477493 1170182887 /nfs/dbraw/zinc/18/28/87/1170182887.db2.gz CEZSBKFFZGGEDV-RNFRBKRXSA-N 1 2 198.270 0.487 20 0 ACADLO Cc1nnc([C@H](C)[N@@H+](C)C[C@H](C)O)[nH]1 1307477486 1170182991 /nfs/dbraw/zinc/18/29/91/1170182991.db2.gz CEZSBKFFZGGEDV-BQBZGAKWSA-N 1 2 198.270 0.487 20 0 ACADLO Cc1nnc([C@H](C)[N@H+](C)C[C@H](C)O)[nH]1 1307477486 1170182996 /nfs/dbraw/zinc/18/29/96/1170182996.db2.gz CEZSBKFFZGGEDV-BQBZGAKWSA-N 1 2 198.270 0.487 20 0 ACADLO Cc1nnc([C@H](C)[N@@H+](C)C[C@@H](C)O)[nH]1 1307477494 1170184423 /nfs/dbraw/zinc/18/44/23/1170184423.db2.gz CEZSBKFFZGGEDV-RQJHMYQMSA-N 1 2 198.270 0.487 20 0 ACADLO Cc1nnc([C@H](C)[N@H+](C)C[C@@H](C)O)[nH]1 1307477494 1170184426 /nfs/dbraw/zinc/18/44/26/1170184426.db2.gz CEZSBKFFZGGEDV-RQJHMYQMSA-N 1 2 198.270 0.487 20 0 ACADLO CC[C@@H]1OCC[C@H]1[NH2+]Cc1nnc[nH]1 1307831650 1170185454 /nfs/dbraw/zinc/18/54/54/1170185454.db2.gz QASGWHWNECAOFL-SFYZADRCSA-N 1 2 196.254 0.462 20 0 ACADLO COC(=O)C1CC([NH2+]CC(F)F)C1 1308749611 1170189984 /nfs/dbraw/zinc/18/99/84/1170189984.db2.gz FOUJVJSNUPVTIP-UHFFFAOYSA-N 1 2 193.193 0.793 20 0 ACADLO CC1(NC(=O)CCn2cc[nH+]c2)CC1 1318590308 1170195169 /nfs/dbraw/zinc/19/51/69/1170195169.db2.gz PDZKMLILTBRLQP-UHFFFAOYSA-N 1 2 193.250 0.942 20 0 ACADLO CC(=O)N1CC[C@H](c2[nH+]ccn2C)C1 1319599486 1170200737 /nfs/dbraw/zinc/20/07/37/1170200737.db2.gz JIOHRANUECZCIB-VIFPVBQESA-N 1 2 193.250 0.756 20 0 ACADLO CC(=O)N1CC[C@@H](c2[nH+]ccn2C)C1 1319599485 1170202521 /nfs/dbraw/zinc/20/25/21/1170202521.db2.gz JIOHRANUECZCIB-SECBINFHSA-N 1 2 193.250 0.756 20 0 ACADLO Cc1cc(C[N@@H+](C)CC(C)(C)O)n[nH]1 1319822210 1170205551 /nfs/dbraw/zinc/20/55/51/1170205551.db2.gz AAJCWWYTKKCUQT-UHFFFAOYSA-N 1 2 197.282 0.921 20 0 ACADLO Cc1cc(C[N@H+](C)CC(C)(C)O)n[nH]1 1319822210 1170205557 /nfs/dbraw/zinc/20/55/57/1170205557.db2.gz AAJCWWYTKKCUQT-UHFFFAOYSA-N 1 2 197.282 0.921 20 0 ACADLO O=C(CCc1c[nH]c[nH+]1)N1CC(F)C1 1321050980 1170211938 /nfs/dbraw/zinc/21/19/38/1170211938.db2.gz JWEBSJXXUWKUCD-UHFFFAOYSA-N 1 2 197.213 0.523 20 0 ACADLO O=C(CCc1c[nH+]c[nH]1)N1CC(F)C1 1321050980 1170211943 /nfs/dbraw/zinc/21/19/43/1170211943.db2.gz JWEBSJXXUWKUCD-UHFFFAOYSA-N 1 2 197.213 0.523 20 0 ACADLO Cn1c[nH+]cc1CCC(=O)NCCF 1321290735 1170215056 /nfs/dbraw/zinc/21/50/56/1170215056.db2.gz SJXUHNDLFFHPOB-UHFFFAOYSA-N 1 2 199.229 0.438 20 0 ACADLO CO[C@@H](C)Cc1nnc(C[NH+](C)C)o1 1322399921 1170215854 /nfs/dbraw/zinc/21/58/54/1170215854.db2.gz KOMPQCGWKBCWIN-ZETCQYMHSA-N 1 2 199.254 0.709 20 0 ACADLO COCCCc1nnc(C[NH+](C)C)o1 1322583017 1170217427 /nfs/dbraw/zinc/21/74/27/1170217427.db2.gz KWWFFPNUEODQPP-UHFFFAOYSA-N 1 2 199.254 0.710 20 0 ACADLO CO[C@H](C)Cc1nnc(C[NH+](C)C)o1 1322399920 1170217944 /nfs/dbraw/zinc/21/79/44/1170217944.db2.gz KOMPQCGWKBCWIN-SSDOTTSWSA-N 1 2 199.254 0.709 20 0 ACADLO C[C@H](O)C[N@H+](C)[C@@H](C)c1nncn1C 1322698575 1170218475 /nfs/dbraw/zinc/21/84/75/1170218475.db2.gz KXTZOXNVZGERJQ-YUMQZZPRSA-N 1 2 198.270 0.189 20 0 ACADLO C[C@H](O)C[N@@H+](C)[C@@H](C)c1nncn1C 1322698575 1170218479 /nfs/dbraw/zinc/21/84/79/1170218479.db2.gz KXTZOXNVZGERJQ-YUMQZZPRSA-N 1 2 198.270 0.189 20 0 ACADLO C[C@@H](c1nncn1C)[N@@H+](C)C[C@@H](C)O 1322698574 1170219096 /nfs/dbraw/zinc/21/90/96/1170219096.db2.gz KXTZOXNVZGERJQ-SFYZADRCSA-N 1 2 198.270 0.189 20 0 ACADLO C[C@@H](c1nncn1C)[N@H+](C)C[C@@H](C)O 1322698574 1170219101 /nfs/dbraw/zinc/21/91/01/1170219101.db2.gz KXTZOXNVZGERJQ-SFYZADRCSA-N 1 2 198.270 0.189 20 0 ACADLO C[C@@H](O)C[N@H+](C)[C@H](C)c1nncn1C 1322698535 1170219201 /nfs/dbraw/zinc/21/92/01/1170219201.db2.gz KXTZOXNVZGERJQ-HTQZYQBOSA-N 1 2 198.270 0.189 20 0 ACADLO C[C@@H](O)C[N@@H+](C)[C@H](C)c1nncn1C 1322698535 1170219205 /nfs/dbraw/zinc/21/92/05/1170219205.db2.gz KXTZOXNVZGERJQ-HTQZYQBOSA-N 1 2 198.270 0.189 20 0 ACADLO C[C@H](O)C[N@H+](C)[C@H](C)c1nncn1C 1322698573 1170219398 /nfs/dbraw/zinc/21/93/98/1170219398.db2.gz KXTZOXNVZGERJQ-JGVFFNPUSA-N 1 2 198.270 0.189 20 0 ACADLO C[C@H](O)C[N@@H+](C)[C@H](C)c1nncn1C 1322698573 1170219406 /nfs/dbraw/zinc/21/94/06/1170219406.db2.gz KXTZOXNVZGERJQ-JGVFFNPUSA-N 1 2 198.270 0.189 20 0 ACADLO CC[N@H+](Cc1cc(C)[nH]n1)[C@H](C)CO 1324157834 1170220590 /nfs/dbraw/zinc/22/05/90/1170220590.db2.gz DSZZJDJVNACHPT-SECBINFHSA-N 1 2 197.282 0.921 20 0 ACADLO CCOCCc1nnc(C[NH+](C)C)o1 1324179216 1170221771 /nfs/dbraw/zinc/22/17/71/1170221771.db2.gz WEEZWSBVGKAMGX-UHFFFAOYSA-N 1 2 199.254 0.710 20 0 ACADLO CCC[N@H+](CCO)Cc1cc(C)[nH]n1 1324711935 1170225667 /nfs/dbraw/zinc/22/56/67/1170225667.db2.gz LCHAKWDCQORFOD-UHFFFAOYSA-N 1 2 197.282 0.922 20 0 ACADLO CCC[N@@H+](CCO)Cc1cc(C)[nH]n1 1324711935 1170225671 /nfs/dbraw/zinc/22/56/71/1170225671.db2.gz LCHAKWDCQORFOD-UHFFFAOYSA-N 1 2 197.282 0.922 20 0 ACADLO CC[N@H+](CCCO)Cc1cc(C)[nH]n1 1324746516 1170226260 /nfs/dbraw/zinc/22/62/60/1170226260.db2.gz MVPPUWSANZIQPA-UHFFFAOYSA-N 1 2 197.282 0.922 20 0 ACADLO CC[N@@H+](CCCO)Cc1cc(C)[nH]n1 1324746516 1170226265 /nfs/dbraw/zinc/22/62/65/1170226265.db2.gz MVPPUWSANZIQPA-UHFFFAOYSA-N 1 2 197.282 0.922 20 0 ACADLO FCCn1ncnc1Cn1cc[nH+]c1 1325147929 1170228421 /nfs/dbraw/zinc/22/84/21/1170228421.db2.gz ZFFVNOIBDPYYEX-UHFFFAOYSA-N 1 2 195.201 0.492 20 0 ACADLO CC[N@H+](Cc1cc(C)[nH]n1)[C@@H](C)CO 1326341640 1170240735 /nfs/dbraw/zinc/24/07/35/1170240735.db2.gz DSZZJDJVNACHPT-VIFPVBQESA-N 1 2 197.282 0.921 20 0 ACADLO CC[N@@H+](Cc1cc(C)[nH]n1)[C@@H](C)CO 1326341640 1170240743 /nfs/dbraw/zinc/24/07/43/1170240743.db2.gz DSZZJDJVNACHPT-VIFPVBQESA-N 1 2 197.282 0.921 20 0 ACADLO C[C@@H](CCO)[N@H+](C)Cc1nncn1C 1326710983 1170241320 /nfs/dbraw/zinc/24/13/20/1170241320.db2.gz XGCLEAUHKHMZIK-QMMMGPOBSA-N 1 2 198.270 0.018 20 0 ACADLO C[C@@H](CCO)[N@@H+](C)Cc1nncn1C 1326710983 1170241322 /nfs/dbraw/zinc/24/13/22/1170241322.db2.gz XGCLEAUHKHMZIK-QMMMGPOBSA-N 1 2 198.270 0.018 20 0 ACADLO C[C@H](CCO)[N@H+](C)Cc1nncn1C 1326710982 1170241661 /nfs/dbraw/zinc/24/16/61/1170241661.db2.gz XGCLEAUHKHMZIK-MRVPVSSYSA-N 1 2 198.270 0.018 20 0 ACADLO C[C@H](CCO)[N@@H+](C)Cc1nncn1C 1326710982 1170241665 /nfs/dbraw/zinc/24/16/65/1170241665.db2.gz XGCLEAUHKHMZIK-MRVPVSSYSA-N 1 2 198.270 0.018 20 0 ACADLO Cc1cc(C[NH2+]Cc2ccno2)[nH]n1 1327104119 1170247263 /nfs/dbraw/zinc/24/72/63/1170247263.db2.gz DOPJWDMTZSWWFA-UHFFFAOYSA-N 1 2 192.222 0.996 20 0 ACADLO Cc1nc([C@H](C)[NH2+]CC[C@@H](C)O)no1 1327512407 1170249310 /nfs/dbraw/zinc/24/93/10/1170249310.db2.gz OCIBAKVNGYHYMF-RQJHMYQMSA-N 1 2 199.254 0.800 20 0 ACADLO C[C@@H]1C[N@H+](Cc2nnc[nH]2)C[C@@H]1C 1327513623 1170250175 /nfs/dbraw/zinc/25/01/75/1170250175.db2.gz XVYNKCFGVKBDNV-OCAPTIKFSA-N 1 2 180.255 0.893 20 0 ACADLO Cc1nc([C@H](C)[NH2+]CC[C@H](C)O)no1 1327512404 1170250826 /nfs/dbraw/zinc/25/08/26/1170250826.db2.gz OCIBAKVNGYHYMF-BQBZGAKWSA-N 1 2 199.254 0.800 20 0 ACADLO C[C@H]1C[NH+](Cc2nnc[nH]2)C[C@@H]1C 1327513624 1170250866 /nfs/dbraw/zinc/25/08/66/1170250866.db2.gz XVYNKCFGVKBDNV-YUMQZZPRSA-N 1 2 180.255 0.893 20 0 ACADLO C[C@@H]1C[NH+](Cc2nnc[nH]2)C[C@H]1C 1327513602 1170251418 /nfs/dbraw/zinc/25/14/18/1170251418.db2.gz XVYNKCFGVKBDNV-HTQZYQBOSA-N 1 2 180.255 0.893 20 0 ACADLO Cc1nc([C@@H](C)[NH2+]CC[C@@H](C)O)no1 1327512406 1170251511 /nfs/dbraw/zinc/25/15/11/1170251511.db2.gz OCIBAKVNGYHYMF-RNFRBKRXSA-N 1 2 199.254 0.800 20 0 ACADLO Cc1nc([C@@H](C)[NH2+]CC[C@H](C)O)no1 1327512405 1170251542 /nfs/dbraw/zinc/25/15/42/1170251542.db2.gz OCIBAKVNGYHYMF-NKWVEPMBSA-N 1 2 199.254 0.800 20 0 ACADLO C[N@H+](Cc1cnon1)C1CC1 1327513191 1170251614 /nfs/dbraw/zinc/25/16/14/1170251614.db2.gz UISGUWGLZJYMTN-UHFFFAOYSA-N 1 2 153.185 0.664 20 0 ACADLO C[N@@H+](Cc1cnon1)C1CC1 1327513191 1170251620 /nfs/dbraw/zinc/25/16/20/1170251620.db2.gz UISGUWGLZJYMTN-UHFFFAOYSA-N 1 2 153.185 0.664 20 0 ACADLO CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C 1327746681 1170255949 /nfs/dbraw/zinc/25/59/49/1170255949.db2.gz LHGJZLSUOSSXEM-RNFRBKRXSA-N 1 2 179.223 0.270 20 0 ACADLO C[N@@H+](Cc1cnon1)C1(CO)CCC1 1328410589 1170261332 /nfs/dbraw/zinc/26/13/32/1170261332.db2.gz SLODMLNCSZIMJZ-UHFFFAOYSA-N 1 2 197.238 0.416 20 0 ACADLO C[N@H+](Cc1cnon1)C1(CO)CCC1 1328410589 1170261327 /nfs/dbraw/zinc/26/13/27/1170261327.db2.gz SLODMLNCSZIMJZ-UHFFFAOYSA-N 1 2 197.238 0.416 20 0 ACADLO COCC(C)(C)[N@H+](C)Cc1cnon1 1328410378 1170262165 /nfs/dbraw/zinc/26/21/65/1170262165.db2.gz OYYZTMCALOCTFD-UHFFFAOYSA-N 1 2 199.254 0.926 20 0 ACADLO COCC(C)(C)[N@@H+](C)Cc1cnon1 1328410378 1170262170 /nfs/dbraw/zinc/26/21/70/1170262170.db2.gz OYYZTMCALOCTFD-UHFFFAOYSA-N 1 2 199.254 0.926 20 0 ACADLO O=C(CCc1[nH]cc[nH+]1)N1CC(F)C1 1329608112 1170269660 /nfs/dbraw/zinc/26/96/60/1170269660.db2.gz RTVNVAROEHFWIG-UHFFFAOYSA-N 1 2 197.213 0.523 20 0 ACADLO C[C@H](O)[C@H]1CCC[N@@H+]1Cc1nnc[nH]1 1330581375 1170280642 /nfs/dbraw/zinc/28/06/42/1170280642.db2.gz KMNXXDBGYXIROB-JGVFFNPUSA-N 1 2 196.254 0.150 20 0 ACADLO C[C@H](O)[C@H]1CCC[N@H+]1Cc1nnc[nH]1 1330581375 1170280646 /nfs/dbraw/zinc/28/06/46/1170280646.db2.gz KMNXXDBGYXIROB-JGVFFNPUSA-N 1 2 196.254 0.150 20 0 ACADLO C[C@@H](O)[C@H]1CCC[N@@H+]1Cc1nnc[nH]1 1330581374 1170281304 /nfs/dbraw/zinc/28/13/04/1170281304.db2.gz KMNXXDBGYXIROB-HTQZYQBOSA-N 1 2 196.254 0.150 20 0 ACADLO C[C@@H](O)[C@H]1CCC[N@H+]1Cc1nnc[nH]1 1330581374 1170281311 /nfs/dbraw/zinc/28/13/11/1170281311.db2.gz KMNXXDBGYXIROB-HTQZYQBOSA-N 1 2 196.254 0.150 20 0 ACADLO C[C@@H](C(=O)N1CC=CC1)n1cc[nH+]c1 1332177129 1170301348 /nfs/dbraw/zinc/30/13/48/1170301348.db2.gz XGZFNYRQXZBISO-VIFPVBQESA-N 1 2 191.234 0.843 20 0 ACADLO CC[C@@H](CO)[NH2+][C@@H](C)c1noc(C)n1 1332885530 1170312237 /nfs/dbraw/zinc/31/22/37/1170312237.db2.gz LVBJKQPLYTYDDT-XPUUQOCRSA-N 1 2 199.254 0.800 20 0 ACADLO CC[C@@H](CO)[NH2+][C@H](C)c1noc(C)n1 1332885528 1170313199 /nfs/dbraw/zinc/31/31/99/1170313199.db2.gz LVBJKQPLYTYDDT-SVRRBLITSA-N 1 2 199.254 0.800 20 0 ACADLO CC[C@H](CO)[NH2+][C@H](C)c1noc(C)n1 1332885522 1170313582 /nfs/dbraw/zinc/31/35/82/1170313582.db2.gz LVBJKQPLYTYDDT-HTRCEHHLSA-N 1 2 199.254 0.800 20 0 ACADLO CC[C@H](CO)[NH2+][C@@H](C)c1noc(C)n1 1332885524 1170313605 /nfs/dbraw/zinc/31/36/05/1170313605.db2.gz LVBJKQPLYTYDDT-POYBYMJQSA-N 1 2 199.254 0.800 20 0 ACADLO OC[C@H]1CC[N@H+](Cc2nncs2)C1 1332818800 1170314553 /nfs/dbraw/zinc/31/45/53/1170314553.db2.gz SGLYANUNKYEPJT-ZETCQYMHSA-N 1 2 199.279 0.352 20 0 ACADLO OC[C@H]1CC[N@@H+](Cc2nncs2)C1 1332818800 1170314563 /nfs/dbraw/zinc/31/45/63/1170314563.db2.gz SGLYANUNKYEPJT-ZETCQYMHSA-N 1 2 199.279 0.352 20 0 ACADLO OC[C@@H]1CC[N@H+](Cc2nncs2)C1 1332818799 1170314587 /nfs/dbraw/zinc/31/45/87/1170314587.db2.gz SGLYANUNKYEPJT-SSDOTTSWSA-N 1 2 199.279 0.352 20 0 ACADLO OC[C@@H]1CC[N@@H+](Cc2nncs2)C1 1332818799 1170314593 /nfs/dbraw/zinc/31/45/93/1170314593.db2.gz SGLYANUNKYEPJT-SSDOTTSWSA-N 1 2 199.279 0.352 20 0 ACADLO O=C(Cc1c[nH+]c[nH]1)N1CCC1 1333099366 1170317251 /nfs/dbraw/zinc/31/72/51/1170317251.db2.gz GEBPPMLGMFWUPX-UHFFFAOYSA-N 1 2 165.196 0.185 20 0 ACADLO C[C@H](C(=O)NCCCF)n1cc[nH+]c1 1333607271 1170328372 /nfs/dbraw/zinc/32/83/72/1170328372.db2.gz UNMJLMVZLCTGAR-MRVPVSSYSA-N 1 2 199.229 0.920 20 0 ACADLO C[C@@H](C(=O)NCCCF)n1cc[nH+]c1 1333607275 1170328960 /nfs/dbraw/zinc/32/89/60/1170328960.db2.gz UNMJLMVZLCTGAR-QMMMGPOBSA-N 1 2 199.229 0.920 20 0 ACADLO C[C@H]1COCC[C@H]1[NH2+][C@H]1CCOC1=O 1333796435 1170330721 /nfs/dbraw/zinc/33/07/21/1170330721.db2.gz VGTKKCNUXKUZBH-YIZRAAEISA-N 1 2 199.250 0.317 20 0 ACADLO O=C(Cc1[nH]cc[nH+]1)N1CCC1 1333863840 1170330901 /nfs/dbraw/zinc/33/09/01/1170330901.db2.gz KAYSRPZYGPBUNH-UHFFFAOYSA-N 1 2 165.196 0.185 20 0 ACADLO CNc1cc(N[C@@H]2CC[C@H]2O)nc[nH+]1 1333812960 1170331483 /nfs/dbraw/zinc/33/14/83/1170331483.db2.gz CGDSABSUECSMFG-RNFRBKRXSA-N 1 2 194.238 0.454 20 0 ACADLO CNc1cc(N[C@@H]2CC[C@H]2O)[nH+]cn1 1333812960 1170331487 /nfs/dbraw/zinc/33/14/87/1170331487.db2.gz CGDSABSUECSMFG-RNFRBKRXSA-N 1 2 194.238 0.454 20 0 ACADLO Cc1cc(C[N@H+]2C[C@@H](C)[C@@H](O)C2)n[nH]1 1333827071 1170331545 /nfs/dbraw/zinc/33/15/45/1170331545.db2.gz QNKMQUYNACJPED-XCBNKYQSSA-N 1 2 195.266 0.531 20 0 ACADLO Cc1cc(C[N@@H+]2C[C@@H](C)[C@@H](O)C2)n[nH]1 1333827071 1170331549 /nfs/dbraw/zinc/33/15/49/1170331549.db2.gz QNKMQUYNACJPED-XCBNKYQSSA-N 1 2 195.266 0.531 20 0 ACADLO C[C@H]1COCC[C@@H]1[NH2+][C@H]1CCOC1=O 1333796434 1170332202 /nfs/dbraw/zinc/33/22/02/1170332202.db2.gz VGTKKCNUXKUZBH-CIUDSAMLSA-N 1 2 199.250 0.317 20 0 ACADLO Cc1cc(C[N@@H+]2C[C@@H](O)[C@H](C)C2)n[nH]1 1333827069 1170332801 /nfs/dbraw/zinc/33/28/01/1170332801.db2.gz QNKMQUYNACJPED-GMSGAONNSA-N 1 2 195.266 0.531 20 0 ACADLO Cc1cc(C[N@H+]2C[C@@H](O)[C@H](C)C2)n[nH]1 1333827069 1170332809 /nfs/dbraw/zinc/33/28/09/1170332809.db2.gz QNKMQUYNACJPED-GMSGAONNSA-N 1 2 195.266 0.531 20 0 ACADLO COCc1cn(Cc2[nH]cc[nH+]2)nn1 1333915894 1170336003 /nfs/dbraw/zinc/33/60/03/1170336003.db2.gz XEQMXJIRQGOKFM-UHFFFAOYSA-N 1 2 193.210 0.196 20 0 ACADLO O=C(CCc1c[nH]c[nH+]1)N1CC=CC1 1334998076 1170346945 /nfs/dbraw/zinc/34/69/45/1170346945.db2.gz PNNIMCQJXANDNI-UHFFFAOYSA-N 1 2 191.234 0.741 20 0 ACADLO O=C(CCc1c[nH+]c[nH]1)N1CC=CC1 1334998076 1170346954 /nfs/dbraw/zinc/34/69/54/1170346954.db2.gz PNNIMCQJXANDNI-UHFFFAOYSA-N 1 2 191.234 0.741 20 0 ACADLO CC[C@H](F)C(=O)N1CC[NH+](C)CC1 1335360150 1170354877 /nfs/dbraw/zinc/35/48/77/1170354877.db2.gz GNVGQGWXKATKDR-QMMMGPOBSA-N 1 2 188.246 0.509 20 0 ACADLO CC[C@@H](F)C(=O)N1CC[NH+](C)CC1 1335360022 1170356762 /nfs/dbraw/zinc/35/67/62/1170356762.db2.gz GNVGQGWXKATKDR-MRVPVSSYSA-N 1 2 188.246 0.509 20 0 ACADLO CC[C@H](F)C(=O)NCCc1[nH]cc[nH+]1 1335773164 1170357697 /nfs/dbraw/zinc/35/76/97/1170357697.db2.gz LCKXIDFNWKASSC-ZETCQYMHSA-N 1 2 199.229 0.817 20 0 ACADLO CC[C@@H](F)C(=O)NCCc1[nH]cc[nH+]1 1335773163 1170359902 /nfs/dbraw/zinc/35/99/02/1170359902.db2.gz LCKXIDFNWKASSC-SSDOTTSWSA-N 1 2 199.229 0.817 20 0 ACADLO CC[C@@H](F)C(=O)NCc1c[nH+]cn1C 1336014379 1170366182 /nfs/dbraw/zinc/36/61/82/1170366182.db2.gz GZNHGQCZAZAXKY-MRVPVSSYSA-N 1 2 199.229 0.784 20 0 ACADLO CC[C@H](F)C(=O)NCc1c[nH+]cn1C 1336014380 1170366730 /nfs/dbraw/zinc/36/67/30/1170366730.db2.gz GZNHGQCZAZAXKY-QMMMGPOBSA-N 1 2 199.229 0.784 20 0 ACADLO CO[C@@H]1CC[N@H+](Cc2nncn2C)C1 1335989679 1170367159 /nfs/dbraw/zinc/36/71/59/1170367159.db2.gz RGAVPYYSXGWTBS-MRVPVSSYSA-N 1 2 196.254 0.036 20 0 ACADLO CO[C@@H]1CC[N@@H+](Cc2nncn2C)C1 1335989679 1170367168 /nfs/dbraw/zinc/36/71/68/1170367168.db2.gz RGAVPYYSXGWTBS-MRVPVSSYSA-N 1 2 196.254 0.036 20 0 ACADLO C=CC(=O)NCC[N@@H+]1CCO[C@H](C)C1 1336677342 1170376607 /nfs/dbraw/zinc/37/66/07/1170376607.db2.gz WUKLATSCIKLOCG-SECBINFHSA-N 1 2 198.266 0.009 20 0 ACADLO C=CC(=O)NCC[N@H+]1CCO[C@H](C)C1 1336677342 1170376616 /nfs/dbraw/zinc/37/66/16/1170376616.db2.gz WUKLATSCIKLOCG-SECBINFHSA-N 1 2 198.266 0.009 20 0 ACADLO C=CC(=O)NCC[N@@H+]1CCO[C@@H](C)C1 1336677344 1170378037 /nfs/dbraw/zinc/37/80/37/1170378037.db2.gz WUKLATSCIKLOCG-VIFPVBQESA-N 1 2 198.266 0.009 20 0 ACADLO C=CC(=O)NCC[N@H+]1CCO[C@@H](C)C1 1336677344 1170378043 /nfs/dbraw/zinc/37/80/43/1170378043.db2.gz WUKLATSCIKLOCG-VIFPVBQESA-N 1 2 198.266 0.009 20 0 ACADLO CON(C)C(=O)CC[NH2+]CC(F)F 1336755025 1170381331 /nfs/dbraw/zinc/38/13/31/1170381331.db2.gz NAQFUWDXOOGNLI-UHFFFAOYSA-N 1 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20 0 ACADLO C[C@H](C(=O)N1CC(F)C1)n1cc[nH+]c1 1337693034 1170398746 /nfs/dbraw/zinc/39/87/46/1170398746.db2.gz IHJDSXIZBXGZRC-SSDOTTSWSA-N 1 2 197.213 0.624 20 0 ACADLO CN(c1cc(N)nc[nH+]1)C1CC(O)C1 1337930883 1170404131 /nfs/dbraw/zinc/40/41/31/1170404131.db2.gz FEFMOOYCTOAKKR-UHFFFAOYSA-N 1 2 194.238 0.018 20 0 ACADLO C[C@H](CCO)N(C)c1cc(N)nc[nH+]1 1338027652 1170405792 /nfs/dbraw/zinc/40/57/92/1170405792.db2.gz LGQLUNRSEOOPBP-SSDOTTSWSA-N 1 2 196.254 0.266 20 0 ACADLO C[C@@H](CCO)N(C)c1cc(N)nc[nH+]1 1338027653 1170406270 /nfs/dbraw/zinc/40/62/70/1170406270.db2.gz LGQLUNRSEOOPBP-ZETCQYMHSA-N 1 2 196.254 0.266 20 0 ACADLO Cc1nnc(C[N@@H+](C)C2CC(O)C2)o1 1342463267 1170446475 /nfs/dbraw/zinc/44/64/75/1170446475.db2.gz KSCBQXWBAIPNJF-UHFFFAOYSA-N 1 2 197.238 0.333 20 0 ACADLO Cc1nnc(C[N@H+](C)C2CC(O)C2)o1 1342463267 1170446481 /nfs/dbraw/zinc/44/64/81/1170446481.db2.gz KSCBQXWBAIPNJF-UHFFFAOYSA-N 1 2 197.238 0.333 20 0 ACADLO Cn1c[nH+]cc1COC(=O)[C@H]1C[C@@H]1F 1343470075 1170456960 /nfs/dbraw/zinc/45/69/60/1170456960.db2.gz QUTDWGBIXNDUGV-YUMQZZPRSA-N 1 2 198.197 0.821 20 0 ACADLO Cn1c[nH+]cc1COC(=O)[C@@H]1C[C@H]1F 1343470072 1170457169 /nfs/dbraw/zinc/45/71/69/1170457169.db2.gz QUTDWGBIXNDUGV-HTQZYQBOSA-N 1 2 198.197 0.821 20 0 ACADLO Cn1c[nH+]cc1COC(=O)[C@@H]1C[C@@H]1F 1343470074 1170457408 /nfs/dbraw/zinc/45/74/08/1170457408.db2.gz QUTDWGBIXNDUGV-SFYZADRCSA-N 1 2 198.197 0.821 20 0 ACADLO Cn1c[nH+]cc1COC(=O)[C@H]1C[C@H]1F 1343470073 1170457439 /nfs/dbraw/zinc/45/74/39/1170457439.db2.gz QUTDWGBIXNDUGV-JGVFFNPUSA-N 1 2 198.197 0.821 20 0 ACADLO CC(=O)OCCCc1c[nH+]cn1C 1343727074 1170460191 /nfs/dbraw/zinc/46/01/91/1170460191.db2.gz YJCBJBGUJXRFDX-UHFFFAOYSA-N 1 2 182.223 0.916 20 0 ACADLO CONC(=O)[C@H]1CCn2cc[nH+]c2C1 1344460735 1170463937 /nfs/dbraw/zinc/46/39/37/1170463937.db2.gz HUEFEYWXZOFDIQ-ZETCQYMHSA-N 1 2 195.222 0.123 20 0 ACADLO CONC(=O)[C@@H]1CCn2cc[nH+]c2C1 1344460732 1170464934 /nfs/dbraw/zinc/46/49/34/1170464934.db2.gz HUEFEYWXZOFDIQ-SSDOTTSWSA-N 1 2 195.222 0.123 20 0 ACADLO CCn1c[nH+]cc1COC(C)=O 1345591775 1170471924 /nfs/dbraw/zinc/47/19/24/1170471924.db2.gz VSVRDVZKACLXKX-UHFFFAOYSA-N 1 2 168.196 0.966 20 0 ACADLO CCCNC(=O)CCc1[nH+]ccn1C 1346073356 1170476543 /nfs/dbraw/zinc/47/65/43/1170476543.db2.gz SNZHEDJYAYJWTR-UHFFFAOYSA-N 1 2 195.266 0.879 20 0 ACADLO CONC(=O)CCc1[nH+]ccn1C 1346153695 1170478704 /nfs/dbraw/zinc/47/87/04/1170478704.db2.gz SBZNMLHEJHDUDG-UHFFFAOYSA-N 1 2 183.211 0.030 20 0 ACADLO Cc1cc(C[N@@H+](C)[C@@H](C)CCO)n[nH]1 1346208893 1170479018 /nfs/dbraw/zinc/47/90/18/1170479018.db2.gz PZIJNJLPFHQMOH-VIFPVBQESA-N 1 2 197.282 0.921 20 0 ACADLO Cc1cc(C[N@H+](C)[C@@H](C)CCO)n[nH]1 1346208893 1170479022 /nfs/dbraw/zinc/47/90/22/1170479022.db2.gz PZIJNJLPFHQMOH-VIFPVBQESA-N 1 2 197.282 0.921 20 0 ACADLO Cc1cc(C[N@@H+](C)[C@H](C)CCO)n[nH]1 1346208879 1170479235 /nfs/dbraw/zinc/47/92/35/1170479235.db2.gz PZIJNJLPFHQMOH-SECBINFHSA-N 1 2 197.282 0.921 20 0 ACADLO Cc1cc(C[N@H+](C)[C@H](C)CCO)n[nH]1 1346208879 1170479240 /nfs/dbraw/zinc/47/92/40/1170479240.db2.gz PZIJNJLPFHQMOH-SECBINFHSA-N 1 2 197.282 0.921 20 0 ACADLO C[N@H+](CC(F)F)C[C@@H]1CNC(=O)C1 1347099368 1170487689 /nfs/dbraw/zinc/48/76/89/1170487689.db2.gz WRUNLTOEQKBLAP-LURJTMIESA-N 1 2 192.209 0.319 20 0 ACADLO C[N@@H+](CC(F)F)C[C@@H]1CNC(=O)C1 1347099368 1170487697 /nfs/dbraw/zinc/48/76/97/1170487697.db2.gz WRUNLTOEQKBLAP-LURJTMIESA-N 1 2 192.209 0.319 20 0 ACADLO O=C(NCCn1cc[nH+]c1)[C@@H]1C[C@@H]1F 1347204111 1170488209 /nfs/dbraw/zinc/48/82/09/1170488209.db2.gz NLYXKEUWLMUCSH-SFYZADRCSA-N 1 2 197.213 0.357 20 0 ACADLO O=C(NCCn1cc[nH+]c1)[C@@H]1C[C@H]1F 1347204108 1170488252 /nfs/dbraw/zinc/48/82/52/1170488252.db2.gz NLYXKEUWLMUCSH-HTQZYQBOSA-N 1 2 197.213 0.357 20 0 ACADLO CC[C@@H](CO)[N@H+](C)Cc1cnon1 1347122172 1170488868 /nfs/dbraw/zinc/48/88/68/1170488868.db2.gz XDAVUXCYHSYFDU-QMMMGPOBSA-N 1 2 185.227 0.272 20 0 ACADLO CC[C@@H](CO)[N@@H+](C)Cc1cnon1 1347122172 1170488873 /nfs/dbraw/zinc/48/88/73/1170488873.db2.gz XDAVUXCYHSYFDU-QMMMGPOBSA-N 1 2 185.227 0.272 20 0 ACADLO O=C(NCCn1cc[nH+]c1)[C@H]1C[C@H]1F 1347204110 1170488879 /nfs/dbraw/zinc/48/88/79/1170488879.db2.gz NLYXKEUWLMUCSH-JGVFFNPUSA-N 1 2 197.213 0.357 20 0 ACADLO C[N@H+](CC(F)F)C[C@H]1CNC(=O)C1 1347099369 1170488890 /nfs/dbraw/zinc/48/88/90/1170488890.db2.gz WRUNLTOEQKBLAP-ZCFIWIBFSA-N 1 2 192.209 0.319 20 0 ACADLO C[N@@H+](CC(F)F)C[C@H]1CNC(=O)C1 1347099369 1170488894 /nfs/dbraw/zinc/48/88/94/1170488894.db2.gz WRUNLTOEQKBLAP-ZCFIWIBFSA-N 1 2 192.209 0.319 20 0 ACADLO CC[C@H](CO)[N@H+](C)Cc1cnon1 1347122165 1170489068 /nfs/dbraw/zinc/48/90/68/1170489068.db2.gz XDAVUXCYHSYFDU-MRVPVSSYSA-N 1 2 185.227 0.272 20 0 ACADLO CC[C@H](CO)[N@@H+](C)Cc1cnon1 1347122165 1170489072 /nfs/dbraw/zinc/48/90/72/1170489072.db2.gz XDAVUXCYHSYFDU-MRVPVSSYSA-N 1 2 185.227 0.272 20 0 ACADLO CONC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C 1347311328 1170490620 /nfs/dbraw/zinc/49/06/20/1170490620.db2.gz SBIYNBYFCMPJHM-RNFRBKRXSA-N 1 2 195.222 0.201 20 0 ACADLO Cn1cc[nH+]c1CCC(=O)N1CCC1 1347506574 1170492961 /nfs/dbraw/zinc/49/29/61/1170492961.db2.gz FZWSTFNOSMVCTB-UHFFFAOYSA-N 1 2 193.250 0.585 20 0 ACADLO CCN(OC)C(=O)CCc1[nH]cc[nH+]1 1347836174 1170497412 /nfs/dbraw/zinc/49/74/12/1170497412.db2.gz DNIXZCGYCPLOQF-UHFFFAOYSA-N 1 2 197.238 0.752 20 0 ACADLO O=C(OCCn1cc[nH+]c1)[C@H]1C[C@H]1F 1348315750 1170501720 /nfs/dbraw/zinc/50/17/20/1170501720.db2.gz ODMGYJZCNLTNMZ-JGVFFNPUSA-N 1 2 198.197 0.784 20 0 ACADLO O=C(OCCn1cc[nH+]c1)[C@@H]1C[C@@H]1F 1348315751 1170502378 /nfs/dbraw/zinc/50/23/78/1170502378.db2.gz ODMGYJZCNLTNMZ-SFYZADRCSA-N 1 2 198.197 0.784 20 0 ACADLO O=C(OCCn1cc[nH+]c1)[C@H]1C[C@@H]1F 1348315752 1170502396 /nfs/dbraw/zinc/50/23/96/1170502396.db2.gz ODMGYJZCNLTNMZ-YUMQZZPRSA-N 1 2 198.197 0.784 20 0 ACADLO O=C(OCCn1cc[nH+]c1)[C@@H]1C[C@H]1F 1348315749 1170503144 /nfs/dbraw/zinc/50/31/44/1170503144.db2.gz ODMGYJZCNLTNMZ-HTQZYQBOSA-N 1 2 198.197 0.784 20 0 ACADLO CCN(OC)C(=O)Cc1c[nH+]cn1C 1349397758 1170508353 /nfs/dbraw/zinc/50/83/53/1170508353.db2.gz ZQDZFSKFDBYDRZ-UHFFFAOYSA-N 1 2 197.238 0.373 20 0 ACADLO Cc1[nH+]c[nH]c1CNC(=O)[C@H]1C[C@H]1F 1349159731 1170508466 /nfs/dbraw/zinc/50/84/66/1170508466.db2.gz MXERSALUXJPTSG-NKWVEPMBSA-N 1 2 197.213 0.692 20 0 ACADLO Cc1[nH+]c[nH]c1CNC(=O)[C@@H]1C[C@@H]1F 1349159733 1170509182 /nfs/dbraw/zinc/50/91/82/1170509182.db2.gz MXERSALUXJPTSG-RQJHMYQMSA-N 1 2 197.213 0.692 20 0 ACADLO Cc1[nH+]c[nH]c1CNC(=O)[C@@H]1C[C@H]1F 1349159732 1170509281 /nfs/dbraw/zinc/50/92/81/1170509281.db2.gz MXERSALUXJPTSG-RNFRBKRXSA-N 1 2 197.213 0.692 20 0 ACADLO Cc1[nH+]c[nH]c1CNC(=O)[C@H]1C[C@@H]1F 1349159730 1170509938 /nfs/dbraw/zinc/50/99/38/1170509938.db2.gz MXERSALUXJPTSG-BQBZGAKWSA-N 1 2 197.213 0.692 20 0 ACADLO Cn1ncnc1C[NH2+]C(C)(C)CF 1349620799 1170511490 /nfs/dbraw/zinc/51/14/90/1170511490.db2.gz MZDZDGZHOWIGML-UHFFFAOYSA-N 1 2 186.234 0.653 20 0 ACADLO c1cn(CCc2cn[nH]n2)c[nH+]1 1350359338 1170518163 /nfs/dbraw/zinc/51/81/63/1170518163.db2.gz SUXCBWUBXLYUPA-UHFFFAOYSA-N 1 2 163.184 0.244 20 0 ACADLO CN(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C 1350543221 1170521141 /nfs/dbraw/zinc/52/11/41/1170521141.db2.gz PFXPYSSTORJNFW-HTQZYQBOSA-N 1 2 193.250 0.612 20 0 ACADLO CC1(NC(=O)Cc2[nH]cc[nH+]2)CC1 1350744173 1170523761 /nfs/dbraw/zinc/52/37/61/1170523761.db2.gz GUCYPVNMDFMQFV-UHFFFAOYSA-N 1 2 179.223 0.621 20 0 ACADLO Cc1nc([C@H](C)[NH2+][C@@H](C)CCO)no1 1352041772 1170529790 /nfs/dbraw/zinc/52/97/90/1170529790.db2.gz LAWRGGPKYNSRBO-BQBZGAKWSA-N 1 2 199.254 0.800 20 0 ACADLO Cc1nc([C@H](C)[NH2+][C@H](C)CCO)no1 1352041775 1170530023 /nfs/dbraw/zinc/53/00/23/1170530023.db2.gz LAWRGGPKYNSRBO-RQJHMYQMSA-N 1 2 199.254 0.800 20 0 ACADLO Cc1nc([C@@H](C)[NH2+][C@H](C)CCO)no1 1352041774 1170530459 /nfs/dbraw/zinc/53/04/59/1170530459.db2.gz LAWRGGPKYNSRBO-RNFRBKRXSA-N 1 2 199.254 0.800 20 0 ACADLO Cc1nc([C@@H](C)[NH2+][C@@H](C)CCO)no1 1352041773 1170530720 /nfs/dbraw/zinc/53/07/20/1170530720.db2.gz LAWRGGPKYNSRBO-NKWVEPMBSA-N 1 2 199.254 0.800 20 0 ACADLO Cn1c[nH+]cc1CNC(=O)[C@H]1C[C@@H]1F 1352388316 1170531185 /nfs/dbraw/zinc/53/11/85/1170531185.db2.gz OYUGFVCVBBKWBO-YUMQZZPRSA-N 1 2 197.213 0.394 20 0 ACADLO Cn1c[nH+]cc1CNC(=O)[C@@H]1C[C@H]1F 1352388313 1170531368 /nfs/dbraw/zinc/53/13/68/1170531368.db2.gz OYUGFVCVBBKWBO-HTQZYQBOSA-N 1 2 197.213 0.394 20 0 ACADLO Cn1c[nH+]cc1CNC(=O)[C@@H]1C[C@@H]1F 1352388315 1170532302 /nfs/dbraw/zinc/53/23/02/1170532302.db2.gz OYUGFVCVBBKWBO-SFYZADRCSA-N 1 2 197.213 0.394 20 0 ACADLO Cn1c[nH+]cc1CNC(=O)[C@H]1C[C@H]1F 1352388314 1170533186 /nfs/dbraw/zinc/53/31/86/1170533186.db2.gz OYUGFVCVBBKWBO-JGVFFNPUSA-N 1 2 197.213 0.394 20 0 ACADLO CCN(OC)C(=O)CCc1c[nH]c[nH+]1 1352998277 1170535851 /nfs/dbraw/zinc/53/58/51/1170535851.db2.gz JPZXBRDDWINGFQ-UHFFFAOYSA-N 1 2 197.238 0.752 20 0 ACADLO CCN(OC)C(=O)CCc1c[nH+]c[nH]1 1352998277 1170535854 /nfs/dbraw/zinc/53/58/54/1170535854.db2.gz JPZXBRDDWINGFQ-UHFFFAOYSA-N 1 2 197.238 0.752 20 0 ACADLO Cc1ncoc1C[NH2+]C1(C(N)=O)CC1 1353583173 1170539638 /nfs/dbraw/zinc/53/96/38/1170539638.db2.gz DGBPKPHGADGCDZ-UHFFFAOYSA-N 1 2 195.222 0.091 20 0 ACADLO CC[C@@H](F)C(=O)NCCn1cc[nH+]c1 1353529619 1170539740 /nfs/dbraw/zinc/53/97/40/1170539740.db2.gz XPDATJYJTFFWBH-MRVPVSSYSA-N 1 2 199.229 0.747 20 0 ACADLO CC[C@H](F)C(=O)NCCn1cc[nH+]c1 1353529620 1170539910 /nfs/dbraw/zinc/53/99/10/1170539910.db2.gz XPDATJYJTFFWBH-QMMMGPOBSA-N 1 2 199.229 0.747 20 0 ACADLO O=C(CO)Nc1cccc2[nH+]ccn12 1353495269 1170541003 /nfs/dbraw/zinc/54/10/03/1170541003.db2.gz UPQFLJALVOOTSW-UHFFFAOYSA-N 1 2 191.190 0.265 20 0 ACADLO C/C=C/C(=O)N1CCn2c[nH+]cc2C1 1354004054 1170541616 /nfs/dbraw/zinc/54/16/16/1170541616.db2.gz YNUZOITXUVQWHP-NSCUHMNNSA-N 1 2 191.234 0.801 20 0 ACADLO C/C=C\C(=O)N1CCn2c[nH+]cc2C1 1354004052 1170542633 /nfs/dbraw/zinc/54/26/33/1170542633.db2.gz YNUZOITXUVQWHP-IHWYPQMZSA-N 1 2 191.234 0.801 20 0 ACADLO Cc1cc(C)c(NC(=O)CO)c(C)[nH+]1 1356376922 1170558582 /nfs/dbraw/zinc/55/85/82/1170558582.db2.gz SJOYTEWGEASUBW-UHFFFAOYSA-N 1 2 194.234 0.938 20 0 ACADLO O=C(CO)Nc1ccc2[nH+]ccn2c1 1437900301 1170565414 /nfs/dbraw/zinc/56/54/14/1170565414.db2.gz CHCROVCJRUSOAS-UHFFFAOYSA-N 1 2 191.190 0.265 20 0 ACADLO c1[nH]nnc1C[NH2+]C1(C2CC2)CC1 1459921029 1170575728 /nfs/dbraw/zinc/57/57/28/1170575728.db2.gz AWHVJVZYCVPSNP-UHFFFAOYSA-N 1 2 178.239 0.837 20 0 ACADLO c1n[nH]nc1C[NH2+]C1(C2CC2)CC1 1459921029 1170575734 /nfs/dbraw/zinc/57/57/34/1170575734.db2.gz AWHVJVZYCVPSNP-UHFFFAOYSA-N 1 2 178.239 0.837 20 0 ACADLO Cc1[nH]ncc1C[N@@H+](C)[C@@H](C)[C@H](C)O 1460597913 1170579010 /nfs/dbraw/zinc/57/90/10/1170579010.db2.gz XJKSTRDXXFRCBW-IUCAKERBSA-N 1 2 197.282 0.919 20 0 ACADLO Cc1[nH]ncc1C[N@H+](C)[C@@H](C)[C@H](C)O 1460597913 1170579014 /nfs/dbraw/zinc/57/90/14/1170579014.db2.gz XJKSTRDXXFRCBW-IUCAKERBSA-N 1 2 197.282 0.919 20 0 ACADLO Cc1[nH]ncc1C[N@@H+](C)[C@H](C)[C@@H](C)O 1460597918 1170579815 /nfs/dbraw/zinc/57/98/15/1170579815.db2.gz XJKSTRDXXFRCBW-RKDXNWHRSA-N 1 2 197.282 0.919 20 0 ACADLO Cc1[nH]ncc1C[N@H+](C)[C@H](C)[C@@H](C)O 1460597918 1170579818 /nfs/dbraw/zinc/57/98/18/1170579818.db2.gz XJKSTRDXXFRCBW-RKDXNWHRSA-N 1 2 197.282 0.919 20 0 ACADLO Cc1[nH]ncc1C[N@@H+](C)[C@H](C)[C@H](C)O 1460597905 1170579977 /nfs/dbraw/zinc/57/99/77/1170579977.db2.gz XJKSTRDXXFRCBW-BDAKNGLRSA-N 1 2 197.282 0.919 20 0 ACADLO Cc1[nH]ncc1C[N@H+](C)[C@H](C)[C@H](C)O 1460597905 1170579980 /nfs/dbraw/zinc/57/99/80/1170579980.db2.gz XJKSTRDXXFRCBW-BDAKNGLRSA-N 1 2 197.282 0.919 20 0 ACADLO Cc1[nH]ncc1C[N@@H+](C)[C@@H](C)[C@@H](C)O 1460597909 1170580455 /nfs/dbraw/zinc/58/04/55/1170580455.db2.gz XJKSTRDXXFRCBW-DTWKUNHWSA-N 1 2 197.282 0.919 20 0 ACADLO Cc1[nH]ncc1C[N@H+](C)[C@@H](C)[C@@H](C)O 1460597909 1170580457 /nfs/dbraw/zinc/58/04/57/1170580457.db2.gz XJKSTRDXXFRCBW-DTWKUNHWSA-N 1 2 197.282 0.919 20 0 ACADLO CCc1[nH]c(CNC(=O)N(C)C)c[nH+]1 1464722385 1170587100 /nfs/dbraw/zinc/58/71/00/1170587100.db2.gz JBAHZSSDCREALS-UHFFFAOYSA-N 1 2 196.254 0.743 20 0 ACADLO CCc1[nH]cc(CNC(=O)N(C)C)[nH+]1 1464722385 1170587105 /nfs/dbraw/zinc/58/71/05/1170587105.db2.gz JBAHZSSDCREALS-UHFFFAOYSA-N 1 2 196.254 0.743 20 0 ACADLO FCC(CF)[NH2+]C1COCCOC1 1474542397 1170601491 /nfs/dbraw/zinc/60/14/91/1170601491.db2.gz QTAJDNTZTSDENE-UHFFFAOYSA-N 1 2 195.209 0.299 20 0 ACADLO CCn1ccc(C[NH2+]C2(C)COC2)n1 1474662396 1170601727 /nfs/dbraw/zinc/60/17/27/1170601727.db2.gz YHCCYPZROXVLPY-UHFFFAOYSA-N 1 2 195.266 0.782 20 0 ACADLO CCC(=O)NCC1C[NH+](CCF)C1 1481611304 1170604271 /nfs/dbraw/zinc/60/42/71/1170604271.db2.gz QSVUGUWWCZNNID-UHFFFAOYSA-N 1 2 188.246 0.414 20 0 ACADLO CCC(=O)NC[C@@H]1CC[N@@H+]1CCF 1483626185 1170605868 /nfs/dbraw/zinc/60/58/68/1170605868.db2.gz WRLKOBCXGHWWSH-QMMMGPOBSA-N 1 2 188.246 0.556 20 0 ACADLO CCC(=O)NC[C@@H]1CC[N@H+]1CCF 1483626185 1170605872 /nfs/dbraw/zinc/60/58/72/1170605872.db2.gz WRLKOBCXGHWWSH-QMMMGPOBSA-N 1 2 188.246 0.556 20 0 ACADLO CCC(=O)NC[C@H]1CC[N@@H+]1CCF 1483626184 1170607234 /nfs/dbraw/zinc/60/72/34/1170607234.db2.gz WRLKOBCXGHWWSH-MRVPVSSYSA-N 1 2 188.246 0.556 20 0 ACADLO CCC(=O)NC[C@H]1CC[N@H+]1CCF 1483626184 1170607241 /nfs/dbraw/zinc/60/72/41/1170607241.db2.gz WRLKOBCXGHWWSH-MRVPVSSYSA-N 1 2 188.246 0.556 20 0 ACADLO Cn1cc[nH+]c1CCC(=O)NC1CC1 1518759757 1170618367 /nfs/dbraw/zinc/61/83/67/1170618367.db2.gz GNEQRFUZWPFPCH-UHFFFAOYSA-N 1 2 193.250 0.631 20 0 ACADLO O=C(CCF)OCCn1cc[nH+]c1 1518426846 1170618556 /nfs/dbraw/zinc/61/85/56/1170618556.db2.gz NEJDQDGDTJYKMG-UHFFFAOYSA-N 1 2 186.186 0.786 20 0 ACADLO CCN(OC)C(=O)Cc1[nH]cc[nH+]1 1520700948 1170622314 /nfs/dbraw/zinc/62/23/14/1170622314.db2.gz AYCUEVOFICFKSV-UHFFFAOYSA-N 1 2 183.211 0.362 20 0 ACADLO CN(C)C(=O)CCc1[nH+]ccn1C 1520767178 1170622367 /nfs/dbraw/zinc/62/23/67/1170622367.db2.gz DGMCLMWHXDJDCF-UHFFFAOYSA-N 1 2 181.239 0.441 20 0 ACADLO CON(C)C(=O)CCc1[nH+]ccn1C 1520761314 1170623057 /nfs/dbraw/zinc/62/30/57/1170623057.db2.gz NLLFQANLFIOZOE-UHFFFAOYSA-N 1 2 197.238 0.373 20 0 ACADLO CCN(OC)C(=O)Cc1c[nH+]c[nH]1 1522179101 1170630311 /nfs/dbraw/zinc/63/03/11/1170630311.db2.gz WDSWRTFSSWJLLA-UHFFFAOYSA-N 1 2 183.211 0.362 20 0 ACADLO O=C(CO)Nc1ccn2cc[nH+]c2c1 1524629663 1170633759 /nfs/dbraw/zinc/63/37/59/1170633759.db2.gz VCMCLLNFAXAYOW-UHFFFAOYSA-N 1 2 191.190 0.265 20 0 ACADLO CCN(C)C(=O)CCc1[nH+]ccn1C 1527432781 1170635556 /nfs/dbraw/zinc/63/55/56/1170635556.db2.gz TUBDALYEWCRQGU-UHFFFAOYSA-N 1 2 195.266 0.831 20 0 ACADLO Cn1cc[nH+]c1CCC(=O)NCCF 1528384159 1170638980 /nfs/dbraw/zinc/63/89/80/1170638980.db2.gz UXSSWPPBMDAQDW-UHFFFAOYSA-N 1 2 199.229 0.438 20 0 ACADLO CCN(OC)C(=O)[C@H](C)n1cc[nH+]c1 1528929851 1170639746 /nfs/dbraw/zinc/63/97/46/1170639746.db2.gz WDMSKPNOJHDRNF-QMMMGPOBSA-N 1 2 197.238 0.854 20 0 ACADLO CCN(OC)C(=O)[C@@H](C)n1cc[nH+]c1 1528929850 1170640193 /nfs/dbraw/zinc/64/01/93/1170640193.db2.gz WDMSKPNOJHDRNF-MRVPVSSYSA-N 1 2 197.238 0.854 20 0 ACADLO Cn1c[nH+]cc1CSCC(N)=O 1559425895 1170655146 /nfs/dbraw/zinc/65/51/46/1170655146.db2.gz UFCWAWGRFFGXCZ-UHFFFAOYSA-N 1 2 185.252 0.139 20 0 ACADLO C[C@@H]1OCC[C@]1(C)[NH2+]Cc1c[nH]nn1 1559750955 1170656277 /nfs/dbraw/zinc/65/62/77/1170656277.db2.gz WOACWXVUWSAENL-CBAPKCEASA-N 1 2 196.254 0.462 20 0 ACADLO C[C@@H]1OCC[C@]1(C)[NH2+]Cc1cn[nH]n1 1559750955 1170656283 /nfs/dbraw/zinc/65/62/83/1170656283.db2.gz WOACWXVUWSAENL-CBAPKCEASA-N 1 2 196.254 0.462 20 0 ACADLO C[C@H]1OCC[C@@]1(C)[NH2+]Cc1c[nH]nn1 1559750957 1170657337 /nfs/dbraw/zinc/65/73/37/1170657337.db2.gz WOACWXVUWSAENL-VXNVDRBHSA-N 1 2 196.254 0.462 20 0 ACADLO C[C@H]1OCC[C@@]1(C)[NH2+]Cc1cn[nH]n1 1559750957 1170657342 /nfs/dbraw/zinc/65/73/42/1170657342.db2.gz WOACWXVUWSAENL-VXNVDRBHSA-N 1 2 196.254 0.462 20 0 ACADLO C[C@H]1OCC[C@]1(C)[NH2+]Cc1c[nH]nn1 1559750954 1170657882 /nfs/dbraw/zinc/65/78/82/1170657882.db2.gz WOACWXVUWSAENL-APPZFPTMSA-N 1 2 196.254 0.462 20 0 ACADLO C[C@H]1OCC[C@]1(C)[NH2+]Cc1cn[nH]n1 1559750954 1170657884 /nfs/dbraw/zinc/65/78/84/1170657884.db2.gz WOACWXVUWSAENL-APPZFPTMSA-N 1 2 196.254 0.462 20 0 ACADLO C[C@@H]1OCC[C@@]1(C)[NH2+]Cc1c[nH]nn1 1559750956 1170657978 /nfs/dbraw/zinc/65/79/78/1170657978.db2.gz WOACWXVUWSAENL-IONNQARKSA-N 1 2 196.254 0.462 20 0 ACADLO C[C@@H]1OCC[C@@]1(C)[NH2+]Cc1cn[nH]n1 1559750956 1170657981 /nfs/dbraw/zinc/65/79/81/1170657981.db2.gz WOACWXVUWSAENL-IONNQARKSA-N 1 2 196.254 0.462 20 0 ACADLO Cc1noc(C[N@@H+](C)[C@@H](C)[C@@H](C)O)n1 1559952386 1170659345 /nfs/dbraw/zinc/65/93/45/1170659345.db2.gz JWLBDOLYCKYDIM-NKWVEPMBSA-N 1 2 199.254 0.579 20 0 ACADLO Cc1noc(C[N@H+](C)[C@@H](C)[C@@H](C)O)n1 1559952386 1170659351 /nfs/dbraw/zinc/65/93/51/1170659351.db2.gz JWLBDOLYCKYDIM-NKWVEPMBSA-N 1 2 199.254 0.579 20 0 ACADLO Cc1noc(C[N@@H+](C)[C@H](C)[C@H](C)O)n1 1559952388 1170659475 /nfs/dbraw/zinc/65/94/75/1170659475.db2.gz JWLBDOLYCKYDIM-RQJHMYQMSA-N 1 2 199.254 0.579 20 0 ACADLO Cc1noc(C[N@H+](C)[C@H](C)[C@H](C)O)n1 1559952388 1170659480 /nfs/dbraw/zinc/65/94/80/1170659480.db2.gz JWLBDOLYCKYDIM-RQJHMYQMSA-N 1 2 199.254 0.579 20 0 ACADLO Cc1noc(C[N@@H+](C)[C@H](C)[C@@H](C)O)n1 1559952387 1170660536 /nfs/dbraw/zinc/66/05/36/1170660536.db2.gz JWLBDOLYCKYDIM-RNFRBKRXSA-N 1 2 199.254 0.579 20 0 ACADLO Cc1noc(C[N@H+](C)[C@H](C)[C@@H](C)O)n1 1559952387 1170660541 /nfs/dbraw/zinc/66/05/41/1170660541.db2.gz JWLBDOLYCKYDIM-RNFRBKRXSA-N 1 2 199.254 0.579 20 0 ACADLO Cc1noc(C[N@@H+](C)[C@@H](C)[C@H](C)O)n1 1559952385 1170660784 /nfs/dbraw/zinc/66/07/84/1170660784.db2.gz JWLBDOLYCKYDIM-BQBZGAKWSA-N 1 2 199.254 0.579 20 0 ACADLO Cc1noc(C[N@H+](C)[C@@H](C)[C@H](C)O)n1 1559952385 1170660788 /nfs/dbraw/zinc/66/07/88/1170660788.db2.gz JWLBDOLYCKYDIM-BQBZGAKWSA-N 1 2 199.254 0.579 20 0 ACADLO C[NH2+]CC(=O)O[C@H](C)c1cnccn1 1573895376 1170678990 /nfs/dbraw/zinc/67/89/90/1170678990.db2.gz IQMSIIIKDSRNPO-SSDOTTSWSA-N 1 2 195.222 0.300 20 0 ACADLO C[NH2+]CC(=O)O[C@@H](C)c1cnccn1 1573895377 1170679643 /nfs/dbraw/zinc/67/96/43/1170679643.db2.gz IQMSIIIKDSRNPO-ZETCQYMHSA-N 1 2 195.222 0.300 20 0 ACADLO C[NH2+]CC(=O)OCc1cncnc1C 1573895100 1170679684 /nfs/dbraw/zinc/67/96/84/1170679684.db2.gz ASPVUVXTVNBXRL-UHFFFAOYSA-N 1 2 195.222 0.048 20 0 ACADLO CC1(C[NH2+][C@@H](CO)c2cn[nH]n2)CC1 1575985846 1170693824 /nfs/dbraw/zinc/69/38/24/1170693824.db2.gz BMESVKVSUVNTMY-QMMMGPOBSA-N 1 2 196.254 0.228 20 0 ACADLO CC1(C[NH2+][C@H](CO)c2cn[nH]n2)CC1 1575985845 1170693674 /nfs/dbraw/zinc/69/36/74/1170693674.db2.gz BMESVKVSUVNTMY-MRVPVSSYSA-N 1 2 196.254 0.228 20 0 ACADLO CC1(C[NH2+][C@H](CO)c2c[nH]nn2)CC1 1575985845 1170693678 /nfs/dbraw/zinc/69/36/78/1170693678.db2.gz BMESVKVSUVNTMY-MRVPVSSYSA-N 1 2 196.254 0.228 20 0 ACADLO CC1(C[NH2+][C@@H](CO)c2c[nH]nn2)CC1 1575985846 1170693827 /nfs/dbraw/zinc/69/38/27/1170693827.db2.gz BMESVKVSUVNTMY-QMMMGPOBSA-N 1 2 196.254 0.228 20 0 ACADLO O=C(Cc1[nH]cc[nH+]1)Nc1cnoc1 1584536312 1170765628 /nfs/dbraw/zinc/76/56/28/1170765628.db2.gz YIESBPLTPBQCOY-UHFFFAOYSA-N 1 2 192.178 0.579 20 0 ACADLO Cc1[nH+]c(C(=O)[O-])cn1CC1C[NH2+]C1 1607946493 1170796160 /nfs/dbraw/zinc/79/61/60/1170796160.db2.gz QJHDGGSKGJFBHB-UHFFFAOYSA-N 1 2 195.222 0.109 20 0 ACADLO C[NH2+][C@@H]1CC[N@H+](CCCC(=O)[O-])C1 1610145262 1170803974 /nfs/dbraw/zinc/80/39/74/1170803974.db2.gz MUJWQAKNUVMQJN-MRVPVSSYSA-N 1 2 186.255 0.145 20 0 ACADLO C[NH2+][C@@H]1CC[N@@H+](CCCC(=O)[O-])C1 1610145262 1170803980 /nfs/dbraw/zinc/80/39/80/1170803980.db2.gz MUJWQAKNUVMQJN-MRVPVSSYSA-N 1 2 186.255 0.145 20 0 ACADLO C[NH2+][C@H]1CC[N@H+](CCCC(=O)[O-])C1 1610145263 1170804039 /nfs/dbraw/zinc/80/40/39/1170804039.db2.gz MUJWQAKNUVMQJN-QMMMGPOBSA-N 1 2 186.255 0.145 20 0 ACADLO C[NH2+][C@H]1CC[N@@H+](CCCC(=O)[O-])C1 1610145263 1170804048 /nfs/dbraw/zinc/80/40/48/1170804048.db2.gz MUJWQAKNUVMQJN-QMMMGPOBSA-N 1 2 186.255 0.145 20 0 ACADLO CCn1nc(C)c(Cn2cc[nH+]c2)n1 1615929363 1170806447 /nfs/dbraw/zinc/80/64/47/1170806447.db2.gz RGQAMKJRBAEKJZ-UHFFFAOYSA-N 1 2 191.238 0.851 20 0 ACADLO Cc1nnc([C@H](C)[N@H+](C)CCCO)[nH]1 1617466170 1170811328 /nfs/dbraw/zinc/81/13/28/1170811328.db2.gz YJPSAVDDFBMAIY-ZETCQYMHSA-N 1 2 198.270 0.488 20 0 ACADLO Cc1nnc([C@H](C)[N@@H+](C)CCCO)[nH]1 1617466170 1170811342 /nfs/dbraw/zinc/81/13/42/1170811342.db2.gz YJPSAVDDFBMAIY-ZETCQYMHSA-N 1 2 198.270 0.488 20 0 ACADLO Cc1[nH+]c[nH]c1CC(=O)NC1(C)CC1 1617541477 1170812885 /nfs/dbraw/zinc/81/28/85/1170812885.db2.gz SHZVCQHUDXUIRH-UHFFFAOYSA-N 1 2 193.250 0.929 20 0 ACADLO Cc1nnc([C@@H](C)[N@H+](C)CCCO)[nH]1 1617466169 1170814374 /nfs/dbraw/zinc/81/43/74/1170814374.db2.gz YJPSAVDDFBMAIY-SSDOTTSWSA-N 1 2 198.270 0.488 20 0 ACADLO Cc1nnc([C@@H](C)[N@@H+](C)CCCO)[nH]1 1617466169 1170814377 /nfs/dbraw/zinc/81/43/77/1170814377.db2.gz YJPSAVDDFBMAIY-SSDOTTSWSA-N 1 2 198.270 0.488 20 0 ACADLO Cn1c[nH+]cc1CNC(CF)CF 1620948871 1170820728 /nfs/dbraw/zinc/82/07/28/1170820728.db2.gz SZTXWGXSDRTZRC-UHFFFAOYSA-N 1 2 189.209 0.817 20 0 ACADLO CCn1ccc(C[N@H+](C)CCOC)n1 1621223170 1170824795 /nfs/dbraw/zinc/82/47/95/1170824795.db2.gz WHMCGACDLMTYJW-UHFFFAOYSA-N 1 2 197.282 0.981 20 0 ACADLO CCn1ccc(C[N@@H+](C)CCOC)n1 1621223170 1170824802 /nfs/dbraw/zinc/82/48/02/1170824802.db2.gz WHMCGACDLMTYJW-UHFFFAOYSA-N 1 2 197.282 0.981 20 0 ACADLO CCc1[nH]c(CNC(=O)OC)c[nH+]1 1622641201 1170830814 /nfs/dbraw/zinc/83/08/14/1170830814.db2.gz YBBYXUNGVUFMSR-UHFFFAOYSA-N 1 2 183.211 0.828 20 0 ACADLO CCc1[nH]cc(CNC(=O)OC)[nH+]1 1622641201 1170830821 /nfs/dbraw/zinc/83/08/21/1170830821.db2.gz YBBYXUNGVUFMSR-UHFFFAOYSA-N 1 2 183.211 0.828 20 0 ACADLO Cc1nnc([C@H](C)[N@@H+]2CC[C@H](O)C2)[nH]1 1641717636 1170860836 /nfs/dbraw/zinc/86/08/36/1170860836.db2.gz CXWCBIOJPQPXJN-XPUUQOCRSA-N 1 2 196.254 0.241 20 0 ACADLO O=C1CC[C@@H](Cn2cc[nH+]c2)CCN1 1642067947 1170860758 /nfs/dbraw/zinc/86/07/58/1170860758.db2.gz GGHDXDMXTSBYDX-SECBINFHSA-N 1 2 193.250 0.799 20 0 ACADLO Cc1nnc([C@H](C)[N@H+]2CC[C@H](O)C2)[nH]1 1641717636 1170860843 /nfs/dbraw/zinc/86/08/43/1170860843.db2.gz CXWCBIOJPQPXJN-XPUUQOCRSA-N 1 2 196.254 0.241 20 0 ACADLO O=C1CC[C@H](Cn2cc[nH+]c2)CCN1 1642067948 1170861597 /nfs/dbraw/zinc/86/15/97/1170861597.db2.gz GGHDXDMXTSBYDX-VIFPVBQESA-N 1 2 193.250 0.799 20 0 ACADLO Cc1nnc([C@@H](C)[N@@H+]2CC[C@H](O)C2)[nH]1 1641717635 1170864412 /nfs/dbraw/zinc/86/44/12/1170864412.db2.gz CXWCBIOJPQPXJN-SVRRBLITSA-N 1 2 196.254 0.241 20 0 ACADLO Cc1nnc([C@@H](C)[N@H+]2CC[C@H](O)C2)[nH]1 1641717635 1170864423 /nfs/dbraw/zinc/86/44/23/1170864423.db2.gz CXWCBIOJPQPXJN-SVRRBLITSA-N 1 2 196.254 0.241 20 0 ACADLO C[N@H+](Cc1ccno1)C(C)(C)C(N)=O 1643208908 1170865419 /nfs/dbraw/zinc/86/54/19/1170865419.db2.gz FHXUFEMYFGSBMA-UHFFFAOYSA-N 1 2 197.238 0.370 20 0 ACADLO C[N@@H+](Cc1ccno1)C(C)(C)C(N)=O 1643208908 1170865428 /nfs/dbraw/zinc/86/54/28/1170865428.db2.gz FHXUFEMYFGSBMA-UHFFFAOYSA-N 1 2 197.238 0.370 20 0 ACADLO CC(C)[C@@H](CCO)[NH2+]Cc1c[nH]nn1 1642667847 1170867196 /nfs/dbraw/zinc/86/71/96/1170867196.db2.gz KDVCJUIEFQEQAP-SECBINFHSA-N 1 2 198.270 0.301 20 0 ACADLO CC(C)[C@@H](CCO)[NH2+]Cc1cn[nH]n1 1642667847 1170867208 /nfs/dbraw/zinc/86/72/08/1170867208.db2.gz KDVCJUIEFQEQAP-SECBINFHSA-N 1 2 198.270 0.301 20 0 ACADLO CC(C)[C@H](CCO)[NH2+]Cc1c[nH]nn1 1642667848 1170868007 /nfs/dbraw/zinc/86/80/07/1170868007.db2.gz KDVCJUIEFQEQAP-VIFPVBQESA-N 1 2 198.270 0.301 20 0 ACADLO CC(C)[C@H](CCO)[NH2+]Cc1cn[nH]n1 1642667848 1170868018 /nfs/dbraw/zinc/86/80/18/1170868018.db2.gz KDVCJUIEFQEQAP-VIFPVBQESA-N 1 2 198.270 0.301 20 0 ACADLO NC(=O)[C@H]1CCC[N@@H+]1Cc1ccno1 1643097250 1170869457 /nfs/dbraw/zinc/86/94/57/1170869457.db2.gz NADZSZHUROHCAN-MRVPVSSYSA-N 1 2 195.222 0.124 20 0 ACADLO NC(=O)[C@H]1CCC[N@H+]1Cc1ccno1 1643097250 1170869462 /nfs/dbraw/zinc/86/94/62/1170869462.db2.gz NADZSZHUROHCAN-MRVPVSSYSA-N 1 2 195.222 0.124 20 0 ACADLO CC[C@@H]1C[N@@H+](Cc2cnn[nH]2)C[C@H]1O 1645169796 1170875459 /nfs/dbraw/zinc/87/54/59/1170875459.db2.gz VVMKZUIGLWCPKT-VXNVDRBHSA-N 1 2 196.254 0.007 20 0 ACADLO CC[C@@H]1C[N@H+](Cc2cnn[nH]2)C[C@H]1O 1645169796 1170875452 /nfs/dbraw/zinc/87/54/52/1170875452.db2.gz VVMKZUIGLWCPKT-VXNVDRBHSA-N 1 2 196.254 0.007 20 0 ACADLO CC[C@@H]1C[N@H+](Cc2c[nH]nn2)C[C@H]1O 1645169796 1170875470 /nfs/dbraw/zinc/87/54/70/1170875470.db2.gz VVMKZUIGLWCPKT-VXNVDRBHSA-N 1 2 196.254 0.007 20 0 ACADLO CC[C@@H]1C[N@@H+](Cc2c[nH]nn2)C[C@H]1O 1645169796 1170875480 /nfs/dbraw/zinc/87/54/80/1170875480.db2.gz VVMKZUIGLWCPKT-VXNVDRBHSA-N 1 2 196.254 0.007 20 0 ACADLO CC[C@H]1C[N@@H+](Cc2cnn[nH]2)C[C@H]1O 1645169795 1170875736 /nfs/dbraw/zinc/87/57/36/1170875736.db2.gz VVMKZUIGLWCPKT-IONNQARKSA-N 1 2 196.254 0.007 20 0 ACADLO CC[C@H]1C[N@H+](Cc2cnn[nH]2)C[C@H]1O 1645169795 1170875731 /nfs/dbraw/zinc/87/57/31/1170875731.db2.gz VVMKZUIGLWCPKT-IONNQARKSA-N 1 2 196.254 0.007 20 0 ACADLO CC[C@H]1C[N@H+](Cc2c[nH]nn2)C[C@H]1O 1645169795 1170875748 /nfs/dbraw/zinc/87/57/48/1170875748.db2.gz VVMKZUIGLWCPKT-IONNQARKSA-N 1 2 196.254 0.007 20 0 ACADLO CC[C@H]1C[N@@H+](Cc2c[nH]nn2)C[C@H]1O 1645169795 1170875752 /nfs/dbraw/zinc/87/57/52/1170875752.db2.gz VVMKZUIGLWCPKT-IONNQARKSA-N 1 2 196.254 0.007 20 0 ACADLO CC[C@H]1C[N@H+](Cc2cnn[nH]2)C[C@@H]1O 1645169794 1170876139 /nfs/dbraw/zinc/87/61/39/1170876139.db2.gz VVMKZUIGLWCPKT-CBAPKCEASA-N 1 2 196.254 0.007 20 0 ACADLO CC[C@H]1C[N@@H+](Cc2cnn[nH]2)C[C@@H]1O 1645169794 1170876149 /nfs/dbraw/zinc/87/61/49/1170876149.db2.gz VVMKZUIGLWCPKT-CBAPKCEASA-N 1 2 196.254 0.007 20 0 ACADLO CC[C@H]1C[N@H+](Cc2c[nH]nn2)C[C@@H]1O 1645169794 1170876160 /nfs/dbraw/zinc/87/61/60/1170876160.db2.gz VVMKZUIGLWCPKT-CBAPKCEASA-N 1 2 196.254 0.007 20 0 ACADLO CC[C@H]1C[N@@H+](Cc2c[nH]nn2)C[C@@H]1O 1645169794 1170876168 /nfs/dbraw/zinc/87/61/68/1170876168.db2.gz VVMKZUIGLWCPKT-CBAPKCEASA-N 1 2 196.254 0.007 20 0 ACADLO CC[C@@H]1C[N@H+](Cc2cnn[nH]2)C[C@@H]1O 1645169793 1170876208 /nfs/dbraw/zinc/87/62/08/1170876208.db2.gz VVMKZUIGLWCPKT-APPZFPTMSA-N 1 2 196.254 0.007 20 0 ACADLO CC[C@@H]1C[N@@H+](Cc2cnn[nH]2)C[C@@H]1O 1645169793 1170876217 /nfs/dbraw/zinc/87/62/17/1170876217.db2.gz VVMKZUIGLWCPKT-APPZFPTMSA-N 1 2 196.254 0.007 20 0 ACADLO CC[C@@H]1C[N@H+](Cc2c[nH]nn2)C[C@@H]1O 1645169793 1170876227 /nfs/dbraw/zinc/87/62/27/1170876227.db2.gz VVMKZUIGLWCPKT-APPZFPTMSA-N 1 2 196.254 0.007 20 0 ACADLO CC[C@@H]1C[N@@H+](Cc2c[nH]nn2)C[C@@H]1O 1645169793 1170876237 /nfs/dbraw/zinc/87/62/37/1170876237.db2.gz VVMKZUIGLWCPKT-APPZFPTMSA-N 1 2 196.254 0.007 20 0 ACADLO CS[C@@H]1CC[N@H+](Cc2cnn[nH]2)C1 1645900845 1170877641 /nfs/dbraw/zinc/87/76/41/1170877641.db2.gz LFSYDGMYMNHIEQ-MRVPVSSYSA-N 1 2 198.295 0.742 20 0 ACADLO CS[C@@H]1CC[N@@H+](Cc2cnn[nH]2)C1 1645900845 1170877653 /nfs/dbraw/zinc/87/76/53/1170877653.db2.gz LFSYDGMYMNHIEQ-MRVPVSSYSA-N 1 2 198.295 0.742 20 0 ACADLO CS[C@@H]1CC[N@H+](Cc2c[nH]nn2)C1 1645900845 1170877662 /nfs/dbraw/zinc/87/76/62/1170877662.db2.gz LFSYDGMYMNHIEQ-MRVPVSSYSA-N 1 2 198.295 0.742 20 0 ACADLO CS[C@@H]1CC[N@@H+](Cc2c[nH]nn2)C1 1645900845 1170877672 /nfs/dbraw/zinc/87/76/72/1170877672.db2.gz LFSYDGMYMNHIEQ-MRVPVSSYSA-N 1 2 198.295 0.742 20 0 ACADLO Cc1noc(C[N@H+]2CC[C@H](O)[C@@H]2C)n1 1645675703 1170881794 /nfs/dbraw/zinc/88/17/94/1170881794.db2.gz SIMUDHKQCNDSDL-XPUUQOCRSA-N 1 2 197.238 0.333 20 0 ACADLO Cc1noc(C[N@@H+]2CC[C@H](O)[C@@H]2C)n1 1645675703 1170881805 /nfs/dbraw/zinc/88/18/05/1170881805.db2.gz SIMUDHKQCNDSDL-XPUUQOCRSA-N 1 2 197.238 0.333 20 0 ACADLO F[C@H]1CC[N@H+](CC2OCCO2)C1 1645739537 1170881838 /nfs/dbraw/zinc/88/18/38/1170881838.db2.gz RARWFLFVSYQITK-ZETCQYMHSA-N 1 2 175.203 0.403 20 0 ACADLO F[C@H]1CC[N@@H+](CC2OCCO2)C1 1645739537 1170881848 /nfs/dbraw/zinc/88/18/48/1170881848.db2.gz RARWFLFVSYQITK-ZETCQYMHSA-N 1 2 175.203 0.403 20 0 ACADLO CS[C@H]1CC[N@H+](Cc2cnn[nH]2)C1 1645900846 1170881929 /nfs/dbraw/zinc/88/19/29/1170881929.db2.gz LFSYDGMYMNHIEQ-QMMMGPOBSA-N 1 2 198.295 0.742 20 0 ACADLO CS[C@H]1CC[N@@H+](Cc2cnn[nH]2)C1 1645900846 1170881940 /nfs/dbraw/zinc/88/19/40/1170881940.db2.gz LFSYDGMYMNHIEQ-QMMMGPOBSA-N 1 2 198.295 0.742 20 0 ACADLO CS[C@H]1CC[N@H+](Cc2c[nH]nn2)C1 1645900846 1170881952 /nfs/dbraw/zinc/88/19/52/1170881952.db2.gz LFSYDGMYMNHIEQ-QMMMGPOBSA-N 1 2 198.295 0.742 20 0 ACADLO CS[C@H]1CC[N@@H+](Cc2c[nH]nn2)C1 1645900846 1170881963 /nfs/dbraw/zinc/88/19/63/1170881963.db2.gz LFSYDGMYMNHIEQ-QMMMGPOBSA-N 1 2 198.295 0.742 20 0 ACADLO CCn1ccc(C[N@H+](C)CCO)n1 1652042488 1170893619 /nfs/dbraw/zinc/89/36/19/1170893619.db2.gz SIUAVXJLSZPHJK-UHFFFAOYSA-N 1 2 183.255 0.327 20 0 ACADLO CCn1ccc(C[N@@H+](C)CCO)n1 1652042488 1170893629 /nfs/dbraw/zinc/89/36/29/1170893629.db2.gz SIUAVXJLSZPHJK-UHFFFAOYSA-N 1 2 183.255 0.327 20 0 ACADLO CCc1[nH]c(CNC(=O)CCF)c[nH+]1 1652463664 1170895379 /nfs/dbraw/zinc/89/53/79/1170895379.db2.gz ILEQHEXNBGOIGM-UHFFFAOYSA-N 1 2 199.229 0.948 20 0 ACADLO CCc1[nH]cc(CNC(=O)CCF)[nH+]1 1652463664 1170895382 /nfs/dbraw/zinc/89/53/82/1170895382.db2.gz ILEQHEXNBGOIGM-UHFFFAOYSA-N 1 2 199.229 0.948 20 0 ACADLO CC[N@H+](CCO)[C@@H](C)c1nnc(C)[nH]1 1652439595 1170896804 /nfs/dbraw/zinc/89/68/04/1170896804.db2.gz ISZSHIGYMQQIBK-ZETCQYMHSA-N 1 2 198.270 0.488 20 0 ACADLO CC[N@@H+](CCO)[C@@H](C)c1nnc(C)[nH]1 1652439595 1170896814 /nfs/dbraw/zinc/89/68/14/1170896814.db2.gz ISZSHIGYMQQIBK-ZETCQYMHSA-N 1 2 198.270 0.488 20 0 ACADLO CC[N@H+](CCO)[C@H](C)c1nnc(C)[nH]1 1652439594 1170897688 /nfs/dbraw/zinc/89/76/88/1170897688.db2.gz ISZSHIGYMQQIBK-SSDOTTSWSA-N 1 2 198.270 0.488 20 0 ACADLO CC[N@@H+](CCO)[C@H](C)c1nnc(C)[nH]1 1652439594 1170897699 /nfs/dbraw/zinc/89/76/99/1170897699.db2.gz ISZSHIGYMQQIBK-SSDOTTSWSA-N 1 2 198.270 0.488 20 0 ACADLO Cn1cc[nH+]c1Cn1cnc(Cl)n1 1652866518 1170900906 /nfs/dbraw/zinc/90/09/06/1170900906.db2.gz AXCGAGXSSWHTPP-UHFFFAOYSA-N 1 2 197.629 0.713 20 0 ACADLO CCn1nnc(C)c1Cn1cc[nH+]c1 1653608387 1170910177 /nfs/dbraw/zinc/91/01/77/1170910177.db2.gz WEJAVZFNDCIJGJ-UHFFFAOYSA-N 1 2 191.238 0.851 20 0 ACADLO F[C@@H]1CC[N@H+](CC2OCCO2)C1 1654514638 1170918395 /nfs/dbraw/zinc/91/83/95/1170918395.db2.gz RARWFLFVSYQITK-SSDOTTSWSA-N 1 2 175.203 0.403 20 0 ACADLO F[C@@H]1CC[N@@H+](CC2OCCO2)C1 1654514638 1170918400 /nfs/dbraw/zinc/91/84/00/1170918400.db2.gz RARWFLFVSYQITK-SSDOTTSWSA-N 1 2 175.203 0.403 20 0 ACADLO C[C@H](O)[C@@H]1CC[N@H+](Cc2cnn[nH]2)C1 1657909070 1170928644 /nfs/dbraw/zinc/92/86/44/1170928644.db2.gz RGLUQJYTZXZPCS-JGVFFNPUSA-N 1 2 196.254 0.007 20 0 ACADLO C[C@H](O)[C@@H]1CC[N@@H+](Cc2cnn[nH]2)C1 1657909070 1170928652 /nfs/dbraw/zinc/92/86/52/1170928652.db2.gz RGLUQJYTZXZPCS-JGVFFNPUSA-N 1 2 196.254 0.007 20 0 ACADLO C[C@H](O)[C@@H]1CC[N@H+](Cc2c[nH]nn2)C1 1657909070 1170928657 /nfs/dbraw/zinc/92/86/57/1170928657.db2.gz RGLUQJYTZXZPCS-JGVFFNPUSA-N 1 2 196.254 0.007 20 0 ACADLO C[C@H](O)[C@@H]1CC[N@@H+](Cc2c[nH]nn2)C1 1657909070 1170928665 /nfs/dbraw/zinc/92/86/65/1170928665.db2.gz RGLUQJYTZXZPCS-JGVFFNPUSA-N 1 2 196.254 0.007 20 0 ACADLO C[C@H](O)[C@@H]1CC[N@H+](Cc2cn[nH]n2)C1 1657909070 1170928672 /nfs/dbraw/zinc/92/86/72/1170928672.db2.gz RGLUQJYTZXZPCS-JGVFFNPUSA-N 1 2 196.254 0.007 20 0 ACADLO C[C@H](O)[C@@H]1CC[N@@H+](Cc2cn[nH]n2)C1 1657909070 1170928679 /nfs/dbraw/zinc/92/86/79/1170928679.db2.gz RGLUQJYTZXZPCS-JGVFFNPUSA-N 1 2 196.254 0.007 20 0 ACADLO C[N@H+](Cc1cnn[nH]1)CC1(O)CCC1 1658171993 1170929032 /nfs/dbraw/zinc/92/90/32/1170929032.db2.gz BBZNYMQDRHSNCQ-UHFFFAOYSA-N 1 2 196.254 0.152 20 0 ACADLO C[N@@H+](Cc1cnn[nH]1)CC1(O)CCC1 1658171993 1170929035 /nfs/dbraw/zinc/92/90/35/1170929035.db2.gz BBZNYMQDRHSNCQ-UHFFFAOYSA-N 1 2 196.254 0.152 20 0 ACADLO C[C@@H](O)[C@@H]1CC[N@H+](Cc2cnn[nH]2)C1 1657909069 1170929088 /nfs/dbraw/zinc/92/90/88/1170929088.db2.gz RGLUQJYTZXZPCS-HTQZYQBOSA-N 1 2 196.254 0.007 20 0 ACADLO C[C@@H](O)[C@@H]1CC[N@@H+](Cc2cnn[nH]2)C1 1657909069 1170929092 /nfs/dbraw/zinc/92/90/92/1170929092.db2.gz RGLUQJYTZXZPCS-HTQZYQBOSA-N 1 2 196.254 0.007 20 0 ACADLO C[C@@H](O)[C@@H]1CC[N@H+](Cc2c[nH]nn2)C1 1657909069 1170929094 /nfs/dbraw/zinc/92/90/94/1170929094.db2.gz RGLUQJYTZXZPCS-HTQZYQBOSA-N 1 2 196.254 0.007 20 0 ACADLO C[C@@H](O)[C@@H]1CC[N@@H+](Cc2c[nH]nn2)C1 1657909069 1170929099 /nfs/dbraw/zinc/92/90/99/1170929099.db2.gz RGLUQJYTZXZPCS-HTQZYQBOSA-N 1 2 196.254 0.007 20 0 ACADLO C[C@@H](O)[C@@H]1CC[N@H+](Cc2cn[nH]n2)C1 1657909069 1170929104 /nfs/dbraw/zinc/92/91/04/1170929104.db2.gz RGLUQJYTZXZPCS-HTQZYQBOSA-N 1 2 196.254 0.007 20 0 ACADLO C[C@@H](O)[C@@H]1CC[N@@H+](Cc2cn[nH]n2)C1 1657909069 1170929107 /nfs/dbraw/zinc/92/91/07/1170929107.db2.gz RGLUQJYTZXZPCS-HTQZYQBOSA-N 1 2 196.254 0.007 20 0 ACADLO C[C@@H](O)[C@H]1CC[N@H+](Cc2cnn[nH]2)C1 1657909071 1170929773 /nfs/dbraw/zinc/92/97/73/1170929773.db2.gz RGLUQJYTZXZPCS-SFYZADRCSA-N 1 2 196.254 0.007 20 0 ACADLO C[C@@H](O)[C@H]1CC[N@@H+](Cc2cnn[nH]2)C1 1657909071 1170929777 /nfs/dbraw/zinc/92/97/77/1170929777.db2.gz RGLUQJYTZXZPCS-SFYZADRCSA-N 1 2 196.254 0.007 20 0 ACADLO C[C@@H](O)[C@H]1CC[N@H+](Cc2c[nH]nn2)C1 1657909071 1170929783 /nfs/dbraw/zinc/92/97/83/1170929783.db2.gz RGLUQJYTZXZPCS-SFYZADRCSA-N 1 2 196.254 0.007 20 0 ACADLO C[C@@H](O)[C@H]1CC[N@@H+](Cc2c[nH]nn2)C1 1657909071 1170929786 /nfs/dbraw/zinc/92/97/86/1170929786.db2.gz RGLUQJYTZXZPCS-SFYZADRCSA-N 1 2 196.254 0.007 20 0 ACADLO C[C@@H](O)[C@H]1CC[N@H+](Cc2cn[nH]n2)C1 1657909071 1170929794 /nfs/dbraw/zinc/92/97/94/1170929794.db2.gz RGLUQJYTZXZPCS-SFYZADRCSA-N 1 2 196.254 0.007 20 0 ACADLO C[C@@H](O)[C@H]1CC[N@@H+](Cc2cn[nH]n2)C1 1657909071 1170929800 /nfs/dbraw/zinc/92/98/00/1170929800.db2.gz RGLUQJYTZXZPCS-SFYZADRCSA-N 1 2 196.254 0.007 20 0 ACADLO C[C@H](O)[C@H]1CC[N@H+](Cc2cnn[nH]2)C1 1657909072 1170930180 /nfs/dbraw/zinc/93/01/80/1170930180.db2.gz RGLUQJYTZXZPCS-YUMQZZPRSA-N 1 2 196.254 0.007 20 0 ACADLO C[C@H](O)[C@H]1CC[N@@H+](Cc2cnn[nH]2)C1 1657909072 1170930186 /nfs/dbraw/zinc/93/01/86/1170930186.db2.gz RGLUQJYTZXZPCS-YUMQZZPRSA-N 1 2 196.254 0.007 20 0 ACADLO C[C@H](O)[C@H]1CC[N@H+](Cc2c[nH]nn2)C1 1657909072 1170930192 /nfs/dbraw/zinc/93/01/92/1170930192.db2.gz RGLUQJYTZXZPCS-YUMQZZPRSA-N 1 2 196.254 0.007 20 0 ACADLO C[C@H](O)[C@H]1CC[N@@H+](Cc2c[nH]nn2)C1 1657909072 1170930198 /nfs/dbraw/zinc/93/01/98/1170930198.db2.gz RGLUQJYTZXZPCS-YUMQZZPRSA-N 1 2 196.254 0.007 20 0 ACADLO C[C@H](O)[C@H]1CC[N@H+](Cc2cn[nH]n2)C1 1657909072 1170930209 /nfs/dbraw/zinc/93/02/09/1170930209.db2.gz RGLUQJYTZXZPCS-YUMQZZPRSA-N 1 2 196.254 0.007 20 0 ACADLO C[C@H](O)[C@H]1CC[N@@H+](Cc2cn[nH]n2)C1 1657909072 1170930217 /nfs/dbraw/zinc/93/02/17/1170930217.db2.gz RGLUQJYTZXZPCS-YUMQZZPRSA-N 1 2 196.254 0.007 20 0 ACADLO Cc1[nH]ncc1C[NH2+][C@H]1C[C@@H](O)C1 1657546508 1170930237 /nfs/dbraw/zinc/93/02/37/1170930237.db2.gz HMJSYFFGTMETKT-DTORHVGOSA-N 1 2 181.239 0.331 20 0 ACADLO C[C@H]1[C@@H](O)CC[N@@H+]1Cc1cnns1 1658667254 1170932196 /nfs/dbraw/zinc/93/21/96/1170932196.db2.gz ZJKOEYJQMXJLMU-XPUUQOCRSA-N 1 2 199.279 0.493 20 0 ACADLO C[C@H]1[C@@H](O)CC[N@H+]1Cc1cnns1 1658667254 1170932200 /nfs/dbraw/zinc/93/22/00/1170932200.db2.gz ZJKOEYJQMXJLMU-XPUUQOCRSA-N 1 2 199.279 0.493 20 0 ACADLO OCC[N@@H+](Cc1cnn[nH]1)CC1CC1 1658556982 1170933033 /nfs/dbraw/zinc/93/30/33/1170933033.db2.gz BXRPHXAPQBUSLK-UHFFFAOYSA-N 1 2 196.254 0.009 20 0 ACADLO OCC[N@H+](Cc1cnn[nH]1)CC1CC1 1658556982 1170933039 /nfs/dbraw/zinc/93/30/39/1170933039.db2.gz BXRPHXAPQBUSLK-UHFFFAOYSA-N 1 2 196.254 0.009 20 0 ACADLO OCC[N@@H+](Cc1c[nH]nn1)CC1CC1 1658556982 1170933046 /nfs/dbraw/zinc/93/30/46/1170933046.db2.gz BXRPHXAPQBUSLK-UHFFFAOYSA-N 1 2 196.254 0.009 20 0 ACADLO OCC[N@H+](Cc1c[nH]nn1)CC1CC1 1658556982 1170933049 /nfs/dbraw/zinc/93/30/49/1170933049.db2.gz BXRPHXAPQBUSLK-UHFFFAOYSA-N 1 2 196.254 0.009 20 0 ACADLO CCn1nncc1C[N@H+](C)CCOC 1658717722 1170935393 /nfs/dbraw/zinc/93/53/93/1170935393.db2.gz DFGURYJPYQCOOK-UHFFFAOYSA-N 1 2 198.270 0.376 20 0 ACADLO CCn1nncc1C[N@@H+](C)CCOC 1658717722 1170935399 /nfs/dbraw/zinc/93/53/99/1170935399.db2.gz DFGURYJPYQCOOK-UHFFFAOYSA-N 1 2 198.270 0.376 20 0 ACADLO FCC[N@@H+]1CC[C@@H](F)C1 1658728417 1170935885 /nfs/dbraw/zinc/93/58/85/1170935885.db2.gz POZQQNSUFSKUGX-ZCFIWIBFSA-N 1 2 135.157 1.000 20 0 ACADLO FCC[N@H+]1CC[C@@H](F)C1 1658728417 1170935889 /nfs/dbraw/zinc/93/58/89/1170935889.db2.gz POZQQNSUFSKUGX-ZCFIWIBFSA-N 1 2 135.157 1.000 20 0 ACADLO Cc1nnc(C[N@H+](C)[C@H](C)[C@@H](C)O)o1 1659360295 1170939657 /nfs/dbraw/zinc/93/96/57/1170939657.db2.gz AMMSQWHDVAJPAE-RNFRBKRXSA-N 1 2 199.254 0.579 20 0 ACADLO Cc1nnc(C[N@@H+](C)[C@@H](C)[C@H](C)O)o1 1659360283 1170939457 /nfs/dbraw/zinc/93/94/57/1170939457.db2.gz AMMSQWHDVAJPAE-BQBZGAKWSA-N 1 2 199.254 0.579 20 0 ACADLO Cc1nnc(C[N@H+](C)[C@@H](C)[C@H](C)O)o1 1659360283 1170939465 /nfs/dbraw/zinc/93/94/65/1170939465.db2.gz AMMSQWHDVAJPAE-BQBZGAKWSA-N 1 2 199.254 0.579 20 0 ACADLO Cc1nnc(C[N@@H+](C)[C@H](C)[C@@H](C)O)o1 1659360295 1170939650 /nfs/dbraw/zinc/93/96/50/1170939650.db2.gz AMMSQWHDVAJPAE-RNFRBKRXSA-N 1 2 199.254 0.579 20 0 ACADLO CO[C@H](C)C[N@@H+]1CCn2nccc2C1 1659563443 1170939799 /nfs/dbraw/zinc/93/97/99/1170939799.db2.gz WGGQDVHOSDMFMA-SECBINFHSA-N 1 2 195.266 0.734 20 0 ACADLO CO[C@H](C)C[N@H+]1CCn2nccc2C1 1659563443 1170939807 /nfs/dbraw/zinc/93/98/07/1170939807.db2.gz WGGQDVHOSDMFMA-SECBINFHSA-N 1 2 195.266 0.734 20 0 ACADLO Cc1nnc(C[N@@H+](C)[C@@H](C)[C@@H](C)O)o1 1659360293 1170939906 /nfs/dbraw/zinc/93/99/06/1170939906.db2.gz AMMSQWHDVAJPAE-NKWVEPMBSA-N 1 2 199.254 0.579 20 0 ACADLO Cc1nnc(C[N@H+](C)[C@@H](C)[C@@H](C)O)o1 1659360293 1170939911 /nfs/dbraw/zinc/93/99/11/1170939911.db2.gz AMMSQWHDVAJPAE-NKWVEPMBSA-N 1 2 199.254 0.579 20 0 ACADLO Cc1nnc(C[N@@H+](C)[C@H](C)[C@H](C)O)o1 1659360299 1170941194 /nfs/dbraw/zinc/94/11/94/1170941194.db2.gz AMMSQWHDVAJPAE-RQJHMYQMSA-N 1 2 199.254 0.579 20 0 ACADLO Cc1nnc(C[N@H+](C)[C@H](C)[C@H](C)O)o1 1659360299 1170941197 /nfs/dbraw/zinc/94/11/97/1170941197.db2.gz AMMSQWHDVAJPAE-RQJHMYQMSA-N 1 2 199.254 0.579 20 0 ACADLO CO[C@@H](C)C[N@@H+]1CCn2nccc2C1 1659563454 1170941695 /nfs/dbraw/zinc/94/16/95/1170941695.db2.gz WGGQDVHOSDMFMA-VIFPVBQESA-N 1 2 195.266 0.734 20 0 ACADLO CO[C@@H](C)C[N@H+]1CCn2nccc2C1 1659563454 1170941698 /nfs/dbraw/zinc/94/16/98/1170941698.db2.gz WGGQDVHOSDMFMA-VIFPVBQESA-N 1 2 195.266 0.734 20 0 ACADLO CCNC(=O)NCc1c[nH+]c(CC)[nH]1 1671953102 1170958312 /nfs/dbraw/zinc/95/83/12/1170958312.db2.gz DBVWXAJYGWBGHZ-UHFFFAOYSA-N 1 2 196.254 0.791 20 0 ACADLO CCNC(=O)NCc1c[nH]c(CC)[nH+]1 1671953102 1170958320 /nfs/dbraw/zinc/95/83/20/1170958320.db2.gz DBVWXAJYGWBGHZ-UHFFFAOYSA-N 1 2 196.254 0.791 20 0 ACADLO CC[NH+]1CC(NC(=O)C2(CC)CC2)C1 1732109752 1170973253 /nfs/dbraw/zinc/97/32/53/1170973253.db2.gz RACOFDHYIJQPCB-UHFFFAOYSA-N 1 2 196.294 0.997 20 0 ACADLO CC[C@H](C)C(=O)NC1C[NH+](CC)C1 1753370260 1170975537 /nfs/dbraw/zinc/97/55/37/1170975537.db2.gz BGCJTHKAHMPZDO-QMMMGPOBSA-N 1 2 184.283 0.853 20 0 ACADLO CC[C@@H](C)C(=O)NC1C[NH+](CC)C1 1753370259 1170975630 /nfs/dbraw/zinc/97/56/30/1170975630.db2.gz BGCJTHKAHMPZDO-MRVPVSSYSA-N 1 2 184.283 0.853 20 0 ACADLO C[N@@H+]1CCC[C@@H]([NH2+]CCC(=O)[O-])C1 134247596 571716572 /nfs/dbraw/zinc/71/65/72/571716572.db2.gz AGIUHACUYJYDLG-MRVPVSSYSA-N 1 2 186.255 0.145 20 0 ACADLO C[N@H+]1CCC[C@@H]([NH2+]CCC(=O)[O-])C1 134247596 571716574 /nfs/dbraw/zinc/71/65/74/571716574.db2.gz 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571774663 /nfs/dbraw/zinc/77/46/63/571774663.db2.gz HTKPZXCGDMVGCB-YUMQZZPRSA-N 1 2 187.239 0.317 20 0 ACADLO CCOC(=O)[C@@H](C)[NH2+][C@@H]1CCOC1 70968509 571774693 /nfs/dbraw/zinc/77/46/93/571774693.db2.gz HTKPZXCGDMVGCB-HTQZYQBOSA-N 1 2 187.239 0.317 20 0 ACADLO CC(C)C[NH2+]Cc1ncn[nH]1 37919155 571816450 /nfs/dbraw/zinc/81/64/50/571816450.db2.gz LBZZPKNJGQPXRQ-UHFFFAOYSA-N 1 2 154.217 0.550 20 0 ACADLO C[NH+]1CCN(C(=O)C(F)F)CC1 39054912 571818182 /nfs/dbraw/zinc/81/81/82/571818182.db2.gz SWEXQSFJJXSYLB-UHFFFAOYSA-N 1 2 178.182 0.026 20 0 ACADLO Cc1ccnc(C[N@@H+](C)[C@H](C)CO)n1 687802490 571823254 /nfs/dbraw/zinc/82/32/54/571823254.db2.gz XSUBIZYGCHLLNY-SECBINFHSA-N 1 2 195.266 0.598 20 0 ACADLO Cc1ccnc(C[N@H+](C)[C@H](C)CO)n1 687802490 571823255 /nfs/dbraw/zinc/82/32/55/571823255.db2.gz XSUBIZYGCHLLNY-SECBINFHSA-N 1 2 195.266 0.598 20 0 ACADLO C[N@H+](Cc1nnc[nH]1)CC(C)(C)CO 687802318 571823972 /nfs/dbraw/zinc/82/39/72/571823972.db2.gz UEZMMLWKVIAZHB-UHFFFAOYSA-N 1 2 198.270 0.255 20 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193.250 0.966 20 0 ACADLO CN(C)C(=O)C[NH2+]Cc1nccs1 70159376 571925444 /nfs/dbraw/zinc/92/54/44/571925444.db2.gz KYKJGCSOVGQOBH-UHFFFAOYSA-N 1 2 199.279 0.321 20 0 ACADLO Cc1nnc(C[N@H+](C)CCCO)o1 300825453 571969348 /nfs/dbraw/zinc/96/93/48/571969348.db2.gz NQSUEOQVDQOLPT-UHFFFAOYSA-N 1 2 185.227 0.192 20 0 ACADLO Cc1nnc(C[N@@H+](C)CCCO)o1 300825453 571969352 /nfs/dbraw/zinc/96/93/52/571969352.db2.gz NQSUEOQVDQOLPT-UHFFFAOYSA-N 1 2 185.227 0.192 20 0 ACADLO C[C@H](C(=O)N(C)C)n1cc[nH+]c1 41391564 571985201 /nfs/dbraw/zinc/98/52/01/571985201.db2.gz RHEZCRZNAGDGEN-SSDOTTSWSA-N 1 2 167.212 0.532 20 0 ACADLO c1ccc(NC[C@@H]2COCCO2)[nH+]c1 38062174 571997614 /nfs/dbraw/zinc/99/76/14/571997614.db2.gz VUMJCFKSFIRJPV-SECBINFHSA-N 1 2 194.234 0.909 20 0 ACADLO c1ccc(NC[C@H]2COCCO2)[nH+]c1 38062175 571998193 /nfs/dbraw/zinc/99/81/93/571998193.db2.gz VUMJCFKSFIRJPV-VIFPVBQESA-N 1 2 194.234 0.909 20 0 ACADLO C/C=C/C(=O)N(C)Cc1[nH+]ccn1C 82237796 572014781 /nfs/dbraw/zinc/01/47/81/572014781.db2.gz 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/nfs/dbraw/zinc/07/49/50/572074950.db2.gz LWRZZIYKXCQMSO-UHFFFAOYSA-N 1 2 188.252 0.318 20 0 ACADLO C=CC(=O)N[C@@H](C)Cn1cc[nH+]c1 36999495 572078301 /nfs/dbraw/zinc/07/83/01/572078301.db2.gz NGHLSEKUVUWSSP-QMMMGPOBSA-N 1 2 179.223 0.574 20 0 ACADLO C=CC(=O)N[C@H](C)Cn1cc[nH+]c1 36999496 572079501 /nfs/dbraw/zinc/07/95/01/572079501.db2.gz NGHLSEKUVUWSSP-MRVPVSSYSA-N 1 2 179.223 0.574 20 0 ACADLO CC[C@H](C[N@H+](C)Cc1nnc[nH]1)OC 687822163 572139786 /nfs/dbraw/zinc/13/97/86/572139786.db2.gz FSRDETVSRZYQRY-MRVPVSSYSA-N 1 2 198.270 0.662 20 0 ACADLO CC[C@H](C[N@@H+](C)Cc1nnc[nH]1)OC 687822163 572139789 /nfs/dbraw/zinc/13/97/89/572139789.db2.gz FSRDETVSRZYQRY-MRVPVSSYSA-N 1 2 198.270 0.662 20 0 ACADLO CC[C@@H](C[N@H+](C)Cc1nnc[nH]1)OC 687822164 572140297 /nfs/dbraw/zinc/14/02/97/572140297.db2.gz FSRDETVSRZYQRY-QMMMGPOBSA-N 1 2 198.270 0.662 20 0 ACADLO CC[C@@H](C[N@@H+](C)Cc1nnc[nH]1)OC 687822164 572140299 /nfs/dbraw/zinc/14/02/99/572140299.db2.gz FSRDETVSRZYQRY-QMMMGPOBSA-N 1 2 198.270 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/nfs/dbraw/zinc/20/69/17/572206917.db2.gz FHHWKGWWGNARAC-UHFFFAOYSA-N 1 2 169.184 0.020 20 0 ACADLO CONC(=O)C[NH2+]C1CCCC1 70267971 572212817 /nfs/dbraw/zinc/21/28/17/572212817.db2.gz PKLUCJPHSSMUSH-UHFFFAOYSA-N 1 2 172.228 0.196 20 0 ACADLO CCONC(=O)C[NH2+]C1CCCC1 70267972 572212915 /nfs/dbraw/zinc/21/29/15/572212915.db2.gz ITRRDCQTCMXYLX-UHFFFAOYSA-N 1 2 186.255 0.586 20 0 ACADLO CCONC(=O)C[NH2+]C(C)C 70267964 572213585 /nfs/dbraw/zinc/21/35/85/572213585.db2.gz LOQUROWVDAGNDM-UHFFFAOYSA-N 1 2 160.217 0.052 20 0 ACADLO COC(C)(C)C[N@H+](C)Cc1nnc[nH]1 687795784 572215152 /nfs/dbraw/zinc/21/51/52/572215152.db2.gz DTGFIXCFXUEVBQ-UHFFFAOYSA-N 1 2 198.270 0.662 20 0 ACADLO COC(C)(C)C[N@@H+](C)Cc1nnc[nH]1 687795784 572215154 /nfs/dbraw/zinc/21/51/54/572215154.db2.gz DTGFIXCFXUEVBQ-UHFFFAOYSA-N 1 2 198.270 0.662 20 0 ACADLO Cc1ccnc(C[N@H+](C)CCO)n1 687795766 572215466 /nfs/dbraw/zinc/21/54/66/572215466.db2.gz FNWYCOFFOSOYIA-UHFFFAOYSA-N 1 2 181.239 0.209 20 0 ACADLO Cc1ccnc(C[N@@H+](C)CCO)n1 687795766 572215469 /nfs/dbraw/zinc/21/54/69/572215469.db2.gz FNWYCOFFOSOYIA-UHFFFAOYSA-N 1 2 181.239 0.209 20 0 ACADLO C[N@H+](CCCCO)Cc1nnc[nH]1 687795767 572215507 /nfs/dbraw/zinc/21/55/07/572215507.db2.gz GKXGJDVSIGPKRD-UHFFFAOYSA-N 1 2 184.243 0.009 20 0 ACADLO C[N@@H+](CCCCO)Cc1nnc[nH]1 687795767 572215511 /nfs/dbraw/zinc/21/55/11/572215511.db2.gz GKXGJDVSIGPKRD-UHFFFAOYSA-N 1 2 184.243 0.009 20 0 ACADLO Cc1nn(C)c(-n2cc[nH+]c2)c1C=O 20444711 572222977 /nfs/dbraw/zinc/22/29/77/572222977.db2.gz HNZQSJXKZDSNQE-UHFFFAOYSA-N 1 2 190.206 0.727 20 0 ACADLO C[C@H](CO)[NH2+]Cc1csnn1 36902212 572226667 /nfs/dbraw/zinc/22/66/67/572226667.db2.gz WLGSQERXHWOVHC-RXMQYKEDSA-N 1 2 173.241 0.009 20 0 ACADLO Cc1nnc(C[N@H+](CCO)C2CC2)o1 48065157 572246817 /nfs/dbraw/zinc/24/68/17/572246817.db2.gz NEFZLVLKMUQXIB-UHFFFAOYSA-N 1 2 197.238 0.335 20 0 ACADLO Cc1nnc(C[N@@H+](CCO)C2CC2)o1 48065157 572246819 /nfs/dbraw/zinc/24/68/19/572246819.db2.gz NEFZLVLKMUQXIB-UHFFFAOYSA-N 1 2 197.238 0.335 20 0 ACADLO COC[C@@H]1C[N@H+](CCF)CCO1 307975059 572326953 /nfs/dbraw/zinc/32/69/53/572326953.db2.gz KEXHZKQFCBHAQR-QMMMGPOBSA-N 1 2 177.219 0.303 20 0 ACADLO COC[C@@H]1C[N@@H+](CCF)CCO1 307975059 572326956 /nfs/dbraw/zinc/32/69/56/572326956.db2.gz KEXHZKQFCBHAQR-QMMMGPOBSA-N 1 2 177.219 0.303 20 0 ACADLO COC[C@H]1C[N@H+](CCF)CCO1 307975058 572327167 /nfs/dbraw/zinc/32/71/67/572327167.db2.gz KEXHZKQFCBHAQR-MRVPVSSYSA-N 1 2 177.219 0.303 20 0 ACADLO COC[C@H]1C[N@@H+](CCF)CCO1 307975058 572327171 /nfs/dbraw/zinc/32/71/71/572327171.db2.gz KEXHZKQFCBHAQR-MRVPVSSYSA-N 1 2 177.219 0.303 20 0 ACADLO CC[N@H+](CCF)CC(=O)N(C)C 307984332 572346568 /nfs/dbraw/zinc/34/65/68/572346568.db2.gz QMDFXUSZSZPQLZ-UHFFFAOYSA-N 1 2 176.235 0.366 20 0 ACADLO CC[N@@H+](CCF)CC(=O)N(C)C 307984332 572346573 /nfs/dbraw/zinc/34/65/73/572346573.db2.gz QMDFXUSZSZPQLZ-UHFFFAOYSA-N 1 2 176.235 0.366 20 0 ACADLO C/C=C/C(=O)N[C@H](C)Cn1cc[nH+]c1 87031584 572353921 /nfs/dbraw/zinc/35/39/21/572353921.db2.gz RGQSMQFLQSQKDG-CDAZIORVSA-N 1 2 193.250 0.964 20 0 ACADLO C/C=C/C(=O)N[C@@H](C)Cn1cc[nH+]c1 87031582 572354804 /nfs/dbraw/zinc/35/48/04/572354804.db2.gz RGQSMQFLQSQKDG-NWALNABHSA-N 1 2 193.250 0.964 20 0 ACADLO CN(C)C(=O)CCc1[nH]cc[nH+]1 307997232 572360257 /nfs/dbraw/zinc/36/02/57/572360257.db2.gz WZKYRBGFTRHCTM-UHFFFAOYSA-N 1 2 167.212 0.431 20 0 ACADLO CONC(=O)C[NH2+]CCC(C)C 307999705 572364391 /nfs/dbraw/zinc/36/43/91/572364391.db2.gz YOZOQYHHPDXALJ-UHFFFAOYSA-N 1 2 174.244 0.300 20 0 ACADLO COC(=O)[C@H](C)c1[nH+]ccn1C 69028791 572464399 /nfs/dbraw/zinc/46/43/99/572464399.db2.gz TZMQFISKCMGQDQ-ZCFIWIBFSA-N 1 2 168.196 0.697 20 0 ACADLO COC(=O)[C@@H](C)c1[nH+]ccn1C 69028789 572465524 /nfs/dbraw/zinc/46/55/24/572465524.db2.gz TZMQFISKCMGQDQ-LURJTMIESA-N 1 2 168.196 0.697 20 0 ACADLO Cc1[nH+]cc(C[N@H+](C)CC(=O)[O-])n1C 74239919 572469035 /nfs/dbraw/zinc/46/90/35/572469035.db2.gz PNTOJUVUCXGGCZ-UHFFFAOYSA-N 1 2 197.238 0.245 20 0 ACADLO Cc1[nH+]cc(C[N@@H+](C)CC(=O)[O-])n1C 74239919 572469036 /nfs/dbraw/zinc/46/90/36/572469036.db2.gz PNTOJUVUCXGGCZ-UHFFFAOYSA-N 1 2 197.238 0.245 20 0 ACADLO Cn1ncnc1C[NH2+]Cc1ccco1 83970476 572469386 /nfs/dbraw/zinc/46/93/86/572469386.db2.gz ANXFMXRNXUDYIT-UHFFFAOYSA-N 1 2 192.222 0.698 20 0 ACADLO CC[NH2+]Cc1noc(CCCOC)n1 87438094 572482852 /nfs/dbraw/zinc/48/28/52/572482852.db2.gz KKRMNGGKLBFCML-UHFFFAOYSA-N 1 2 199.254 0.758 20 0 ACADLO COC[C@H]([NH2+]Cc1nnc[nH]1)C1CC1 87479104 572490999 /nfs/dbraw/zinc/49/09/99/572490999.db2.gz ODPWXKMQSCYWGJ-QMMMGPOBSA-N 1 2 196.254 0.319 20 0 ACADLO COC[C@@H]([NH2+]Cc1nnc[nH]1)C1CC1 87479107 572492253 /nfs/dbraw/zinc/49/22/53/572492253.db2.gz ODPWXKMQSCYWGJ-MRVPVSSYSA-N 1 2 196.254 0.319 20 0 ACADLO c1[nH]c(CNCc2csnn2)c[nH+]1 84080779 572495680 /nfs/dbraw/zinc/49/56/80/572495680.db2.gz LSJUWRDIXYSDMY-UHFFFAOYSA-N 1 2 195.251 0.551 20 0 ACADLO c1[nH]cc(CNCc2csnn2)[nH+]1 84080779 572495689 /nfs/dbraw/zinc/49/56/89/572495689.db2.gz LSJUWRDIXYSDMY-UHFFFAOYSA-N 1 2 195.251 0.551 20 0 ACADLO Cc1cnc(CNCc2[nH]cc[nH+]2)o1 235958274 572522022 /nfs/dbraw/zinc/52/20/22/572522022.db2.gz PPVZSKLBOSLEPX-UHFFFAOYSA-N 1 2 192.222 0.996 20 0 ACADLO Cc1[nH+]cc(C[NH2+][C@H](C)C(=O)[O-])n1C 689738269 572525917 /nfs/dbraw/zinc/52/59/17/572525917.db2.gz VORLWZVZTXAAFA-ZCFIWIBFSA-N 1 2 197.238 0.291 20 0 ACADLO Cc1[nH+]cc(C[NH2+][C@@H](C)C(=O)[O-])n1C 689738265 572526245 /nfs/dbraw/zinc/52/62/45/572526245.db2.gz VORLWZVZTXAAFA-LURJTMIESA-N 1 2 197.238 0.291 20 0 ACADLO Cc1nonc1C[N@@H+](CCO)C(C)C 69795699 572578109 /nfs/dbraw/zinc/57/81/09/572578109.db2.gz ARPXPKZOXJAQQW-UHFFFAOYSA-N 1 2 199.254 0.581 20 0 ACADLO Cc1nonc1C[N@H+](CCO)C(C)C 69795699 572578112 /nfs/dbraw/zinc/57/81/12/572578112.db2.gz ARPXPKZOXJAQQW-UHFFFAOYSA-N 1 2 199.254 0.581 20 0 ACADLO CCONC(=O)C[NH2+]CC(C)C 308071232 572600588 /nfs/dbraw/zinc/60/05/88/572600588.db2.gz AYFIDNKJOYCBSF-UHFFFAOYSA-N 1 2 174.244 0.300 20 0 ACADLO Cn1c[nH+]c(CNCC(F)F)c1 236087788 572614285 /nfs/dbraw/zinc/61/42/85/572614285.db2.gz XTUNNCOCTASITM-UHFFFAOYSA-N 1 2 175.182 0.775 20 0 ACADLO CC(C)NC(=O)[C@H](C)n1cc[nH+]c1 70162511 572647080 /nfs/dbraw/zinc/64/70/80/572647080.db2.gz KUPASBICEZVYBE-QMMMGPOBSA-N 1 2 181.239 0.969 20 0 ACADLO C[C@H](C(=O)NC1CC1)n1cc[nH+]c1 70162515 572648341 /nfs/dbraw/zinc/64/83/41/572648341.db2.gz JOYOFPLCCBPRON-SSDOTTSWSA-N 1 2 179.223 0.723 20 0 ACADLO C[C@@H](C(=O)NC1CC1)n1cc[nH+]c1 70162514 572648466 /nfs/dbraw/zinc/64/84/66/572648466.db2.gz JOYOFPLCCBPRON-ZETCQYMHSA-N 1 2 179.223 0.723 20 0 ACADLO CC(C)NC(=O)[C@@H](C)n1cc[nH+]c1 70162510 572648580 /nfs/dbraw/zinc/64/85/80/572648580.db2.gz KUPASBICEZVYBE-MRVPVSSYSA-N 1 2 181.239 0.969 20 0 ACADLO O=C(NCCn1cc[nH+]c1)C(F)F 236136101 572660123 /nfs/dbraw/zinc/66/01/23/572660123.db2.gz SKJHAQKBVPYQLQ-UHFFFAOYSA-N 1 2 189.165 0.264 20 0 ACADLO O=C(NCCc1[nH]cc[nH+]1)C(F)F 236136024 572661583 /nfs/dbraw/zinc/66/15/83/572661583.db2.gz LLADXXLWFVEOLQ-UHFFFAOYSA-N 1 2 189.165 0.334 20 0 ACADLO CC(=O)N(C)Cc1[nH+]ccn1C 70224813 572665226 /nfs/dbraw/zinc/66/52/26/572665226.db2.gz UNSAGOWUGDDMNN-UHFFFAOYSA-N 1 2 167.212 0.398 20 0 ACADLO C[NH+](C)CCNC(=O)C(F)(F)F 70225292 572665930 /nfs/dbraw/zinc/66/59/30/572665930.db2.gz SHXZHUMBDNUFCU-UHFFFAOYSA-N 1 2 184.161 0.227 20 0 ACADLO CC(C)C(=O)NCCc1[nH+]ccn1C 70232835 572668356 /nfs/dbraw/zinc/66/83/56/572668356.db2.gz PEDKOIFKNDTEDH-UHFFFAOYSA-N 1 2 195.266 0.735 20 0 ACADLO Cc1nnc(C[N@@H+]2CCC[C@H](O)C2)o1 48581119 572673343 /nfs/dbraw/zinc/67/33/43/572673343.db2.gz APAREOXSUDEOFG-QMMMGPOBSA-N 1 2 197.238 0.335 20 0 ACADLO Cc1nnc(C[N@H+]2CCC[C@H](O)C2)o1 48581119 572673349 /nfs/dbraw/zinc/67/33/49/572673349.db2.gz APAREOXSUDEOFG-QMMMGPOBSA-N 1 2 197.238 0.335 20 0 ACADLO Cc1nnc(C[N@H+]2CCC[C@@H](O)C2)o1 48581122 572676601 /nfs/dbraw/zinc/67/66/01/572676601.db2.gz APAREOXSUDEOFG-MRVPVSSYSA-N 1 2 197.238 0.335 20 0 ACADLO COC(=O)[C@H]1CCC[N@@H+]1CCF 87689879 572679798 /nfs/dbraw/zinc/67/97/98/572679798.db2.gz XROYJPWEJCGCGA-SSDOTTSWSA-N 1 2 175.203 0.593 20 0 ACADLO COC(=O)[C@H]1CCC[N@H+]1CCF 87689879 572679801 /nfs/dbraw/zinc/67/98/01/572679801.db2.gz XROYJPWEJCGCGA-SSDOTTSWSA-N 1 2 175.203 0.593 20 0 ACADLO COC(=O)[C@@H]1CCC[N@@H+]1CCF 87689878 572681263 /nfs/dbraw/zinc/68/12/63/572681263.db2.gz XROYJPWEJCGCGA-ZETCQYMHSA-N 1 2 175.203 0.593 20 0 ACADLO COC(=O)[C@@H]1CCC[N@H+]1CCF 87689878 572681268 /nfs/dbraw/zinc/68/12/68/572681268.db2.gz XROYJPWEJCGCGA-ZETCQYMHSA-N 1 2 175.203 0.593 20 0 ACADLO C[C@H](C[S@@](C)=O)[N@H+](C)CCF 307867971 572681799 /nfs/dbraw/zinc/68/17/99/572681799.db2.gz KDTOQJBMBBTSCT-RDDDGLTNSA-N 1 2 181.276 0.655 20 0 ACADLO C[C@H](C[S@@](C)=O)[N@@H+](C)CCF 307867971 572681801 /nfs/dbraw/zinc/68/18/01/572681801.db2.gz KDTOQJBMBBTSCT-RDDDGLTNSA-N 1 2 181.276 0.655 20 0 ACADLO C[C@@H](C[S@@](C)=O)[N@H+](C)CCF 307867976 572682304 /nfs/dbraw/zinc/68/23/04/572682304.db2.gz KDTOQJBMBBTSCT-WRWORJQWSA-N 1 2 181.276 0.655 20 0 ACADLO C[C@@H](C[S@@](C)=O)[N@@H+](C)CCF 307867976 572682308 /nfs/dbraw/zinc/68/23/08/572682308.db2.gz KDTOQJBMBBTSCT-WRWORJQWSA-N 1 2 181.276 0.655 20 0 ACADLO C[C@@H](C[S@](C)=O)[N@H+](C)CCF 307867957 572682777 /nfs/dbraw/zinc/68/27/77/572682777.db2.gz KDTOQJBMBBTSCT-CPCISQLKSA-N 1 2 181.276 0.655 20 0 ACADLO C[C@@H](C[S@](C)=O)[N@@H+](C)CCF 307867957 572682780 /nfs/dbraw/zinc/68/27/80/572682780.db2.gz KDTOQJBMBBTSCT-CPCISQLKSA-N 1 2 181.276 0.655 20 0 ACADLO C[C@H](C[S@](C)=O)[N@H+](C)CCF 307867964 572683236 /nfs/dbraw/zinc/68/32/36/572683236.db2.gz KDTOQJBMBBTSCT-HQJQHLMTSA-N 1 2 181.276 0.655 20 0 ACADLO C[C@H](C[S@](C)=O)[N@@H+](C)CCF 307867964 572683239 /nfs/dbraw/zinc/68/32/39/572683239.db2.gz KDTOQJBMBBTSCT-HQJQHLMTSA-N 1 2 181.276 0.655 20 0 ACADLO CCn1c[nH+]cc1C[NH2+][C@H](C)C(=O)[O-] 85183765 572687440 /nfs/dbraw/zinc/68/74/40/572687440.db2.gz LXEQQCVWVVTFLA-SSDOTTSWSA-N 1 2 197.238 0.466 20 0 ACADLO Cc1cc(Cn2cnc(N)n2)cc[nH+]1 307070248 572687534 /nfs/dbraw/zinc/68/75/34/572687534.db2.gz DXBMBGYKIOSLAZ-UHFFFAOYSA-N 1 2 189.222 0.612 20 0 ACADLO FCCN1CC[NH+](CCF)CC1 308094941 572690180 /nfs/dbraw/zinc/69/01/80/572690180.db2.gz XLPVTHCXGIQENL-UHFFFAOYSA-N 1 2 178.226 0.543 20 0 ACADLO Cn1c[nH+]cc1C[NH2+]C(C)(C)C(=O)[O-] 85191622 572691832 /nfs/dbraw/zinc/69/18/32/572691832.db2.gz VDMLPDMYKIJSSZ-UHFFFAOYSA-N 1 2 197.238 0.373 20 0 ACADLO CCCn1c[nH+]cc1C[NH2+]CC(=O)[O-] 85186085 572693711 /nfs/dbraw/zinc/69/37/11/572693711.db2.gz WNGSXZSVAHNSQD-UHFFFAOYSA-N 1 2 197.238 0.467 20 0 ACADLO Cn1cncc1C[NH2+]Cc1cc[nH]n1 85169332 572698200 /nfs/dbraw/zinc/69/82/00/572698200.db2.gz YRVPTHBRVAGFTP-UHFFFAOYSA-N 1 2 191.238 0.433 20 0 ACADLO Cn1cncc1C[NH2+]Cc1cnc[nH]1 85169702 572698804 /nfs/dbraw/zinc/69/88/04/572698804.db2.gz UKULXHHBYRKQMD-UHFFFAOYSA-N 1 2 191.238 0.433 20 0 ACADLO C[C@@H](NC(=O)C(F)F)c1[nH]cc[nH+]1 235210824 572701369 /nfs/dbraw/zinc/70/13/69/572701369.db2.gz WJPDZOGMYOGHFD-SCSAIBSYSA-N 1 2 189.165 0.852 20 0 ACADLO C[C@H]([NH2+]CCF)c1nncn1C 87775053 572709812 /nfs/dbraw/zinc/70/98/12/572709812.db2.gz QIGQXNGSAMXHDF-LURJTMIESA-N 1 2 172.207 0.435 20 0 ACADLO C[C@@H]([NH2+]CCF)c1nncn1C 87775054 572711709 /nfs/dbraw/zinc/71/17/09/572711709.db2.gz QIGQXNGSAMXHDF-ZCFIWIBFSA-N 1 2 172.207 0.435 20 0 ACADLO CC(C)=CC(=O)NCc1[nH]cc[nH+]1 70651503 572722661 /nfs/dbraw/zinc/72/26/61/572722661.db2.gz XXYDIOYXRQKHEE-UHFFFAOYSA-N 1 2 179.223 0.992 20 0 ACADLO COC(=O)[C@H](C)NCc1c[nH+]c[nH]1 54764729 572724300 /nfs/dbraw/zinc/72/43/00/572724300.db2.gz VKZPDYCPPXFESP-LURJTMIESA-N 1 2 183.211 0.061 20 0 ACADLO COC(=O)[C@H](C)NCc1c[nH]c[nH+]1 54764729 572724302 /nfs/dbraw/zinc/72/43/02/572724302.db2.gz VKZPDYCPPXFESP-LURJTMIESA-N 1 2 183.211 0.061 20 0 ACADLO COC(=O)C(C)(C)NCc1c[nH+]c[nH]1 54764753 572724553 /nfs/dbraw/zinc/72/45/53/572724553.db2.gz ISZJHNWJPVDQJE-UHFFFAOYSA-N 1 2 197.238 0.451 20 0 ACADLO COC(=O)C(C)(C)NCc1c[nH]c[nH+]1 54764753 572724557 /nfs/dbraw/zinc/72/45/57/572724557.db2.gz ISZJHNWJPVDQJE-UHFFFAOYSA-N 1 2 197.238 0.451 20 0 ACADLO CCOCCNc1cc(NC)nc[nH+]1 87819325 572728052 /nfs/dbraw/zinc/72/80/52/572728052.db2.gz 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/nfs/dbraw/zinc/75/09/40/572750940.db2.gz KQQXOXSHEPUAMZ-SSDOTTSWSA-N 1 2 189.255 0.299 20 0 ACADLO O=C1OCCN1CCn1cc[nH+]c1 308114395 572755465 /nfs/dbraw/zinc/75/54/65/572755465.db2.gz SFVPNIKBGKUPRM-UHFFFAOYSA-N 1 2 181.195 0.335 20 0 ACADLO CC(C)[N@H+](C/C=C/Cl)CC(N)=O 308112950 572755920 /nfs/dbraw/zinc/75/59/20/572755920.db2.gz LBNBVGQSMJSSHQ-ONEGZZNKSA-N 1 2 190.674 0.935 20 0 ACADLO CC(C)[N@@H+](C/C=C/Cl)CC(N)=O 308112950 572755923 /nfs/dbraw/zinc/75/59/23/572755923.db2.gz LBNBVGQSMJSSHQ-ONEGZZNKSA-N 1 2 190.674 0.935 20 0 ACADLO CC(C)[N@H+](C/C=C\Cl)CC(N)=O 308112945 572757690 /nfs/dbraw/zinc/75/76/90/572757690.db2.gz LBNBVGQSMJSSHQ-ARJAWSKDSA-N 1 2 190.674 0.935 20 0 ACADLO CC(C)[N@@H+](C/C=C\Cl)CC(N)=O 308112945 572757693 /nfs/dbraw/zinc/75/76/93/572757693.db2.gz LBNBVGQSMJSSHQ-ARJAWSKDSA-N 1 2 190.674 0.935 20 0 ACADLO C[C@H]([NH2+]CCCn1cc[nH+]c1)C(=O)[O-] 49328752 572759477 /nfs/dbraw/zinc/75/94/77/572759477.db2.gz PBJRNNOWQHSCNS-QMMMGPOBSA-N 1 2 197.238 0.336 20 0 ACADLO CC[N@H+](C/C=C/Cl)CC(N)=O 307913705 572761473 /nfs/dbraw/zinc/76/14/73/572761473.db2.gz ZTDVAPOOCGIXHM-ONEGZZNKSA-N 1 2 176.647 0.546 20 0 ACADLO CC[N@@H+](C/C=C/Cl)CC(N)=O 307913705 572761474 /nfs/dbraw/zinc/76/14/74/572761474.db2.gz ZTDVAPOOCGIXHM-ONEGZZNKSA-N 1 2 176.647 0.546 20 0 ACADLO CC[N@H+](C/C=C\Cl)CC(N)=O 307913704 572763731 /nfs/dbraw/zinc/76/37/31/572763731.db2.gz ZTDVAPOOCGIXHM-ARJAWSKDSA-N 1 2 176.647 0.546 20 0 ACADLO CC[N@@H+](C/C=C\Cl)CC(N)=O 307913704 572763733 /nfs/dbraw/zinc/76/37/33/572763733.db2.gz ZTDVAPOOCGIXHM-ARJAWSKDSA-N 1 2 176.647 0.546 20 0 ACADLO COC(=O)[C@@H](C)[NH2+][C@H]1CC[C@H]1C 308123679 572769272 /nfs/dbraw/zinc/76/92/72/572769272.db2.gz SRNKOSADAXHQKM-PRJMDXOYSA-N 1 2 171.240 0.936 20 0 ACADLO COC(=O)[C@H](C)[NH2+][C@H]1CC[C@@H]1C 308123667 572768725 /nfs/dbraw/zinc/76/87/25/572768725.db2.gz SRNKOSADAXHQKM-FXQIFTODSA-N 1 2 171.240 0.936 20 0 ACADLO Cn1ccc(C[NH2+]Cc2nnc[nH]2)c1 85590872 572768940 /nfs/dbraw/zinc/76/89/40/572768940.db2.gz SCNAEKXUIZXENA-UHFFFAOYSA-N 1 2 191.238 0.433 20 0 ACADLO COC(=O)[C@@H](C)[NH2+][C@H]1CC[C@@H]1C 308123684 572769338 /nfs/dbraw/zinc/76/93/38/572769338.db2.gz SRNKOSADAXHQKM-RNJXMRFFSA-N 1 2 171.240 0.936 20 0 ACADLO COC(=O)[C@H](C)[NH2+][C@@H]1CC[C@H]1C 308123674 572769391 /nfs/dbraw/zinc/76/93/91/572769391.db2.gz SRNKOSADAXHQKM-GJMOJQLCSA-N 1 2 171.240 0.936 20 0 ACADLO COC(=O)[C@@H](C)[NH2+][C@@H]1CC[C@@H]1C 308123692 572769427 /nfs/dbraw/zinc/76/94/27/572769427.db2.gz SRNKOSADAXHQKM-XLPZGREQSA-N 1 2 171.240 0.936 20 0 ACADLO COC(=O)[C@H](C)[NH2+][C@@H]1CC[C@@H]1C 308123533 572769437 /nfs/dbraw/zinc/76/94/37/572769437.db2.gz SRNKOSADAXHQKM-BIIVOSGPSA-N 1 2 171.240 0.936 20 0 ACADLO OC[C@@H]1COCC[N@@H+]1C/C=C\Cl 307933936 572794162 /nfs/dbraw/zinc/79/41/62/572794162.db2.gz RFUKZXHROOWOCA-SLYZXXNYSA-N 1 2 191.658 0.432 20 0 ACADLO OC[C@@H]1COCC[N@H+]1C/C=C\Cl 307933936 572794168 /nfs/dbraw/zinc/79/41/68/572794168.db2.gz RFUKZXHROOWOCA-SLYZXXNYSA-N 1 2 191.658 0.432 20 0 ACADLO CCNC(=O)C[N@H+](C)C/C=C/Cl 307946164 572815878 /nfs/dbraw/zinc/81/58/78/572815878.db2.gz JKLCFDQGAHKVFK-SNAWJCMRSA-N 1 2 190.674 0.807 20 0 ACADLO CCNC(=O)C[N@@H+](C)C/C=C/Cl 307946164 572815884 /nfs/dbraw/zinc/81/58/84/572815884.db2.gz JKLCFDQGAHKVFK-SNAWJCMRSA-N 1 2 190.674 0.807 20 0 ACADLO CC(C)NC(=O)C[N@H+](C)CCF 307946554 572815947 /nfs/dbraw/zinc/81/59/47/572815947.db2.gz JVNVUQMNVNFNAC-UHFFFAOYSA-N 1 2 176.235 0.412 20 0 ACADLO CC(C)NC(=O)C[N@@H+](C)CCF 307946554 572815951 /nfs/dbraw/zinc/81/59/51/572815951.db2.gz JVNVUQMNVNFNAC-UHFFFAOYSA-N 1 2 176.235 0.412 20 0 ACADLO CCNC(=O)C[N@H+](C)C/C=C\Cl 307946163 572817279 /nfs/dbraw/zinc/81/72/79/572817279.db2.gz JKLCFDQGAHKVFK-PLNGDYQASA-N 1 2 190.674 0.807 20 0 ACADLO CCNC(=O)C[N@@H+](C)C/C=C\Cl 307946163 572817283 /nfs/dbraw/zinc/81/72/83/572817283.db2.gz JKLCFDQGAHKVFK-PLNGDYQASA-N 1 2 190.674 0.807 20 0 ACADLO CC(=O)OCCc1c[nH+]cn1C 307955829 572836989 /nfs/dbraw/zinc/83/69/89/572836989.db2.gz RIZKCQLWYANUDB-UHFFFAOYSA-N 1 2 168.196 0.526 20 0 ACADLO CCOCCN(C)c1cc(N)nc[nH+]1 87979943 572851959 /nfs/dbraw/zinc/85/19/59/572851959.db2.gz XXOCUKCWEZHUPL-UHFFFAOYSA-N 1 2 196.254 0.532 20 0 ACADLO CCCC[N@H+](CCF)CC(N)=O 307961362 572852225 /nfs/dbraw/zinc/85/22/25/572852225.db2.gz XGBCJYHESBEMHC-UHFFFAOYSA-N 1 2 176.235 0.543 20 0 ACADLO CCCC[N@@H+](CCF)CC(N)=O 307961362 572852228 /nfs/dbraw/zinc/85/22/28/572852228.db2.gz XGBCJYHESBEMHC-UHFFFAOYSA-N 1 2 176.235 0.543 20 0 ACADLO C[N@H+](CCF)CC(=O)NC1CC1 308148018 572860803 /nfs/dbraw/zinc/86/08/03/572860803.db2.gz LIABNKZLARSAOK-UHFFFAOYSA-N 1 2 174.219 0.166 20 0 ACADLO C[N@@H+](CCF)CC(=O)NC1CC1 308148018 572860807 /nfs/dbraw/zinc/86/08/07/572860807.db2.gz LIABNKZLARSAOK-UHFFFAOYSA-N 1 2 174.219 0.166 20 0 ACADLO O=C(CCCCO)NCc1c[nH+]c[nH]1 86087182 572861365 /nfs/dbraw/zinc/86/13/65/572861365.db2.gz SZCMXARALKZIET-UHFFFAOYSA-N 1 2 197.238 0.189 20 0 ACADLO O=C(CCCCO)NCc1c[nH]c[nH+]1 86087182 572861371 /nfs/dbraw/zinc/86/13/71/572861371.db2.gz SZCMXARALKZIET-UHFFFAOYSA-N 1 2 197.238 0.189 20 0 ACADLO O=C(CCCCO)NCc1[nH]cc[nH+]1 86087168 572861702 /nfs/dbraw/zinc/86/17/02/572861702.db2.gz XRZNLVADUPTDGQ-UHFFFAOYSA-N 1 2 197.238 0.189 20 0 ACADLO CC(C)COC(=O)C[N@H+](C)CCO 308160228 572882049 /nfs/dbraw/zinc/88/20/49/572882049.db2.gz UONAPWFWKPGCDC-UHFFFAOYSA-N 1 2 189.255 0.110 20 0 ACADLO CC(C)COC(=O)C[N@@H+](C)CCO 308160228 572882052 /nfs/dbraw/zinc/88/20/52/572882052.db2.gz UONAPWFWKPGCDC-UHFFFAOYSA-N 1 2 189.255 0.110 20 0 ACADLO C[N@H+](C/C=C\Cl)[C@H]1CCNC1=O 307970075 572888279 /nfs/dbraw/zinc/88/82/79/572888279.db2.gz GJTHDNKTLQOIMT-ZZZKRKDRSA-N 1 2 188.658 0.559 20 0 ACADLO C[N@@H+](C/C=C\Cl)[C@H]1CCNC1=O 307970075 572888284 /nfs/dbraw/zinc/88/82/84/572888284.db2.gz GJTHDNKTLQOIMT-ZZZKRKDRSA-N 1 2 188.658 0.559 20 0 ACADLO CCc1nnc(C[N@H+](C)CCO)o1 50499347 572901660 /nfs/dbraw/zinc/90/16/60/572901660.db2.gz FWOVNISVWVGYJI-UHFFFAOYSA-N 1 2 185.227 0.056 20 0 ACADLO CCc1nnc(C[N@@H+](C)CCO)o1 50499347 572901662 /nfs/dbraw/zinc/90/16/62/572901662.db2.gz FWOVNISVWVGYJI-UHFFFAOYSA-N 1 2 185.227 0.056 20 0 ACADLO CCONC(=O)CCc1c[nH+]c[nH]1 308189462 572918183 /nfs/dbraw/zinc/91/81/83/572918183.db2.gz MLURWWWHXOFEPF-UHFFFAOYSA-N 1 2 183.211 0.410 20 0 ACADLO CCONC(=O)CCc1c[nH]c[nH+]1 308189462 572918185 /nfs/dbraw/zinc/91/81/85/572918185.db2.gz MLURWWWHXOFEPF-UHFFFAOYSA-N 1 2 183.211 0.410 20 0 ACADLO CCOCC[NH2+][C@@]1(C)CCOC1=O 308201686 572928785 /nfs/dbraw/zinc/92/87/85/572928785.db2.gz YTTRZHPTQONZSQ-VIFPVBQESA-N 1 2 187.239 0.318 20 0 ACADLO Cc1cn2ccc(C(N)=O)cc2[nH+]1 71529264 572929211 /nfs/dbraw/zinc/92/92/11/572929211.db2.gz UGGVFTUVYJDQID-UHFFFAOYSA-N 1 2 175.191 0.742 20 0 ACADLO CCOCC[NH2+][C@]1(C)CCOC1=O 308201685 572929903 /nfs/dbraw/zinc/92/99/03/572929903.db2.gz YTTRZHPTQONZSQ-SECBINFHSA-N 1 2 187.239 0.318 20 0 ACADLO OC[C@@H]([NH2+]Cc1ccn[nH]1)C1CC1 308196456 572938625 /nfs/dbraw/zinc/93/86/25/572938625.db2.gz SOFGINZAIVGOJP-SECBINFHSA-N 1 2 181.239 0.270 20 0 ACADLO Cc1n[nH]cc1C[NH2+]Cc1ccon1 86452673 572940356 /nfs/dbraw/zinc/94/03/56/572940356.db2.gz YUTPXSPWFBIFQJ-UHFFFAOYSA-N 1 2 192.222 0.996 20 0 ACADLO Cn1c[nH+]cc1CNCc1ccon1 86452676 572940764 /nfs/dbraw/zinc/94/07/64/572940764.db2.gz YRJQYMYSKKJZMK-UHFFFAOYSA-N 1 2 192.222 0.698 20 0 ACADLO Cn1nccc1C[NH2+]Cc1ccon1 86452654 572940888 /nfs/dbraw/zinc/94/08/88/572940888.db2.gz ZQYAFVDHRJSAHO-UHFFFAOYSA-N 1 2 192.222 0.698 20 0 ACADLO c1[nH]c(CNCc2ccon2)c[nH+]1 86452725 572941160 /nfs/dbraw/zinc/94/11/60/572941160.db2.gz NIGVQANKGZDISR-UHFFFAOYSA-N 1 2 178.195 0.688 20 0 ACADLO c1c[nH+]c(CNCc2ccon2)[nH]1 86452645 572941715 /nfs/dbraw/zinc/94/17/15/572941715.db2.gz JXEODHYSRPILDS-UHFFFAOYSA-N 1 2 178.195 0.688 20 0 ACADLO CC[N@@H+](CCO)Cc1cc(C)[nH]n1 308207873 572943483 /nfs/dbraw/zinc/94/34/83/572943483.db2.gz DLTVXIBYFCPCQW-UHFFFAOYSA-N 1 2 183.255 0.532 20 0 ACADLO CC[N@H+](CCO)Cc1cc(C)[nH]n1 308207873 572943480 /nfs/dbraw/zinc/94/34/80/572943480.db2.gz DLTVXIBYFCPCQW-UHFFFAOYSA-N 1 2 183.255 0.532 20 0 ACADLO CCCNC(=O)C[NH2+]Cc1ccon1 88053745 572948996 /nfs/dbraw/zinc/94/89/96/572948996.db2.gz KSRVXBWMJDZSGX-UHFFFAOYSA-N 1 2 197.238 0.290 20 0 ACADLO Cc1nc(C[N@@H+]2CC[C@@H](CO)C2)no1 51887765 572983994 /nfs/dbraw/zinc/98/39/94/572983994.db2.gz GJOAOXCRPHOONL-MRVPVSSYSA-N 1 2 197.238 0.192 20 0 ACADLO Cc1nc(C[N@H+]2CC[C@@H](CO)C2)no1 51887765 572983995 /nfs/dbraw/zinc/98/39/95/572983995.db2.gz GJOAOXCRPHOONL-MRVPVSSYSA-N 1 2 197.238 0.192 20 0 ACADLO Cc1nc(C[N@@H+]2CC[C@H](CO)C2)no1 51887764 572984707 /nfs/dbraw/zinc/98/47/07/572984707.db2.gz GJOAOXCRPHOONL-QMMMGPOBSA-N 1 2 197.238 0.192 20 0 ACADLO Cc1nc(C[N@H+]2CC[C@H](CO)C2)no1 51887764 572984709 /nfs/dbraw/zinc/98/47/09/572984709.db2.gz GJOAOXCRPHOONL-QMMMGPOBSA-N 1 2 197.238 0.192 20 0 ACADLO COCCNc1cc(N(C)C)[nH+]cn1 585414938 572997496 /nfs/dbraw/zinc/99/74/96/572997496.db2.gz CYEUUOKCEKOKDY-UHFFFAOYSA-N 1 2 196.254 0.601 20 0 ACADLO COCCNc1cc(N(C)C)nc[nH+]1 585414938 572997490 /nfs/dbraw/zinc/99/74/90/572997490.db2.gz CYEUUOKCEKOKDY-UHFFFAOYSA-N 1 2 196.254 0.601 20 0 ACADLO C[C@@H](CNC(=O)C(F)(F)F)[NH+](C)C 82367798 573002857 /nfs/dbraw/zinc/00/28/57/573002857.db2.gz JCTRBRBQTOZVFK-YFKPBYRVSA-N 1 2 198.188 0.615 20 0 ACADLO C[C@H](CNC(=O)C(F)(F)F)[NH+](C)C 82367799 573006547 /nfs/dbraw/zinc/00/65/47/573006547.db2.gz JCTRBRBQTOZVFK-RXMQYKEDSA-N 1 2 198.188 0.615 20 0 ACADLO Cc1[nH]ncc1C[NH2+][C@@H](C)[C@@H](C)O 308223080 573012576 /nfs/dbraw/zinc/01/25/76/573012576.db2.gz CZISEGXEXZFWNC-POYBYMJQSA-N 1 2 183.255 0.577 20 0 ACADLO Cc1[nH]ncc1C[NH2+][C@H](C)[C@H](C)O 308223081 573015822 /nfs/dbraw/zinc/01/58/22/573015822.db2.gz CZISEGXEXZFWNC-SVRRBLITSA-N 1 2 183.255 0.577 20 0 ACADLO Cc1[nH]ncc1C[NH2+][C@H](C)[C@@H](C)O 308223079 573016578 /nfs/dbraw/zinc/01/65/78/573016578.db2.gz CZISEGXEXZFWNC-HTRCEHHLSA-N 1 2 183.255 0.577 20 0 ACADLO c1ncn(CCn2cc[nH+]c2)n1 82389416 573019435 /nfs/dbraw/zinc/01/94/35/573019435.db2.gz CROXAAGXTPLXFH-UHFFFAOYSA-N 1 2 163.184 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/nfs/dbraw/zinc/06/61/78/573066178.db2.gz BYNAZBBPDFYVCY-SSDOTTSWSA-N 1 2 199.254 0.581 20 0 ACADLO Cc1nonc1C[N@H+](C)CC[C@@H](C)O 128548202 573066184 /nfs/dbraw/zinc/06/61/84/573066184.db2.gz BYNAZBBPDFYVCY-SSDOTTSWSA-N 1 2 199.254 0.581 20 0 ACADLO CC(=O)C[N@@H+]1CCN(C)[C@H](C)C1 82484136 573068929 /nfs/dbraw/zinc/06/89/29/573068929.db2.gz NEJOXQQQVCLSGK-MRVPVSSYSA-N 1 2 170.256 0.211 20 0 ACADLO CC(=O)C[N@H+]1CCN(C)[C@H](C)C1 82484136 573068937 /nfs/dbraw/zinc/06/89/37/573068937.db2.gz NEJOXQQQVCLSGK-MRVPVSSYSA-N 1 2 170.256 0.211 20 0 ACADLO CC(=O)C[N@@H+]1CCN(C)[C@@H](C)C1 82484137 573075155 /nfs/dbraw/zinc/07/51/55/573075155.db2.gz NEJOXQQQVCLSGK-QMMMGPOBSA-N 1 2 170.256 0.211 20 0 ACADLO CC(=O)C[N@H+]1CCN(C)[C@@H](C)C1 82484137 573075158 /nfs/dbraw/zinc/07/51/58/573075158.db2.gz NEJOXQQQVCLSGK-QMMMGPOBSA-N 1 2 170.256 0.211 20 0 ACADLO CN(CCCn1cc[nH+]c1)C(N)=O 308250797 573078703 /nfs/dbraw/zinc/07/87/03/573078703.db2.gz FKILZFWKECXZAD-UHFFFAOYSA-N 1 2 182.227 0.284 20 0 ACADLO Cc1nc([C@H](C)[NH2+]C[C@H](C)O)no1 308260584 573088915 /nfs/dbraw/zinc/08/89/15/573088915.db2.gz NCMWQBZHTHKOII-WDSKDSINSA-N 1 2 185.227 0.409 20 0 ACADLO Cc1nc([C@@H](C)[NH2+]C[C@@H](C)O)no1 308260579 573089719 /nfs/dbraw/zinc/08/97/19/573089719.db2.gz NCMWQBZHTHKOII-PHDIDXHHSA-N 1 2 185.227 0.409 20 0 ACADLO Cc1nc([C@H](C)[NH2+]C[C@@H](C)O)no1 308260582 573091494 /nfs/dbraw/zinc/09/14/94/573091494.db2.gz NCMWQBZHTHKOII-RITPCOANSA-N 1 2 185.227 0.409 20 0 ACADLO Cc1nc([C@@H](C)[NH2+]C[C@H](C)O)no1 308260578 573093347 /nfs/dbraw/zinc/09/33/47/573093347.db2.gz NCMWQBZHTHKOII-NTSWFWBYSA-N 1 2 185.227 0.409 20 0 ACADLO CONC(=O)C[NH2+]C(C)(C)C 88442213 573121189 /nfs/dbraw/zinc/12/11/89/573121189.db2.gz NPEGXOLKZIEFJL-UHFFFAOYSA-N 1 2 160.217 0.052 20 0 ACADLO C[C@@]1(O)CCN(c2cc(N)nc[nH+]2)C1 235476779 573129474 /nfs/dbraw/zinc/12/94/74/573129474.db2.gz JYFGEEFJSNWHBE-SECBINFHSA-N 1 2 194.238 0.020 20 0 ACADLO CCOC(=O)c1[nH+]ccc(N)c1N 238284120 573137241 /nfs/dbraw/zinc/13/72/41/573137241.db2.gz WUYOVBGHABHEGS-UHFFFAOYSA-N 1 2 181.195 0.423 20 0 ACADLO COCC[NH2+][C@@H](C)c1noc(C)n1 308504929 573148968 /nfs/dbraw/zinc/14/89/68/573148968.db2.gz YSDMUNQOSGVDNF-LURJTMIESA-N 1 2 185.227 0.675 20 0 ACADLO CC(=O)N(C)Cc1[nH]cc[nH+]1 82681531 573162285 /nfs/dbraw/zinc/16/22/85/573162285.db2.gz MRBPUBFLGQTCJS-UHFFFAOYSA-N 1 2 153.185 0.388 20 0 ACADLO CC=CC(=O)NCc1[nH]c[nH+]c1C 308285795 573162540 /nfs/dbraw/zinc/16/25/40/573162540.db2.gz DGPMLKBPMVNFFG-ARJAWSKDSA-N 1 2 179.223 0.910 20 0 ACADLO C/C=C\C(=O)NCc1c[nH+]cn1C 308296319 573185208 /nfs/dbraw/zinc/18/52/08/573185208.db2.gz KBUOXFOPPARSOA-ARJAWSKDSA-N 1 2 179.223 0.612 20 0 ACADLO CSC=CC(=O)NCc1c[nH+]c[nH]1 308299528 573190090 /nfs/dbraw/zinc/19/00/90/573190090.db2.gz JNDSTIYQZKRHSC-IHWYPQMZSA-N 1 2 197.263 0.903 20 0 ACADLO CS/C=C\C(=O)NCc1c[nH]c[nH+]1 308299528 573190095 /nfs/dbraw/zinc/19/00/95/573190095.db2.gz JNDSTIYQZKRHSC-IHWYPQMZSA-N 1 2 197.263 0.903 20 0 ACADLO CSC=CC(=O)NCc1c[nH+]c[nH]1 308299529 573190713 /nfs/dbraw/zinc/19/07/13/573190713.db2.gz JNDSTIYQZKRHSC-NSCUHMNNSA-N 1 2 197.263 0.903 20 0 ACADLO CS/C=C/C(=O)NCc1c[nH]c[nH+]1 308299529 573190719 /nfs/dbraw/zinc/19/07/19/573190719.db2.gz JNDSTIYQZKRHSC-NSCUHMNNSA-N 1 2 197.263 0.903 20 0 ACADLO C[C@H](NC(=O)C(F)F)c1[nH]cc[nH+]1 235525032 573207172 /nfs/dbraw/zinc/20/71/72/573207172.db2.gz WJPDZOGMYOGHFD-BYPYZUCNSA-N 1 2 189.165 0.852 20 0 ACADLO C/C=C(\C)C(=O)NCc1[nH]cc[nH+]1 308308881 573209533 /nfs/dbraw/zinc/20/95/33/573209533.db2.gz PYAFVKOPORBPBS-XVNBXDOJSA-N 1 2 179.223 0.992 20 0 ACADLO CC=C(C)C(=O)NCc1[nH]cc[nH+]1 308308881 573209540 /nfs/dbraw/zinc/20/95/40/573209540.db2.gz PYAFVKOPORBPBS-XVNBXDOJSA-N 1 2 179.223 0.992 20 0 ACADLO O=C(NCc1[nH]cc[nH+]1)N1CCCC1 85961178 573213547 /nfs/dbraw/zinc/21/35/47/573213547.db2.gz NOGPCFDBTHGVPX-UHFFFAOYSA-N 1 2 194.238 0.715 20 0 ACADLO CN(C)C(=O)NCc1c[nH+]c[nH]1 85956807 573215693 /nfs/dbraw/zinc/21/56/93/573215693.db2.gz MFNKAVCKGKUPSE-UHFFFAOYSA-N 1 2 168.200 0.181 20 0 ACADLO CN(C)C(=O)NCc1c[nH]c[nH+]1 85956807 573215697 /nfs/dbraw/zinc/21/56/97/573215697.db2.gz MFNKAVCKGKUPSE-UHFFFAOYSA-N 1 2 168.200 0.181 20 0 ACADLO CCOC[C@H](C)[NH2+][C@H]1CCOC1=O 308313390 573232695 /nfs/dbraw/zinc/23/26/95/573232695.db2.gz UIMLSSLVZHXMPH-YUMQZZPRSA-N 1 2 187.239 0.317 20 0 ACADLO COc1cccc2[nH+]c(N)cn12 258605045 573238509 /nfs/dbraw/zinc/23/85/09/573238509.db2.gz VHZPIRRBFFFZCY-UHFFFAOYSA-N 1 2 163.180 0.925 20 0 ACADLO COC(=O)C[NH+]1CCC(F)(F)CC1 116284531 573261813 /nfs/dbraw/zinc/26/18/13/573261813.db2.gz FXAPZTYFPVGUAN-UHFFFAOYSA-N 1 2 193.193 0.891 20 0 ACADLO Cn1ncc(C[N@H+](C)CC(C)(C)O)n1 308536478 573278715 /nfs/dbraw/zinc/27/87/15/573278715.db2.gz RXDBRJMUARJULQ-UHFFFAOYSA-N 1 2 198.270 0.018 20 0 ACADLO Cn1ncc(C[N@@H+](C)CC(C)(C)O)n1 308536478 573278724 /nfs/dbraw/zinc/27/87/24/573278724.db2.gz RXDBRJMUARJULQ-UHFFFAOYSA-N 1 2 198.270 0.018 20 0 ACADLO Cc1[nH+]ccn1-c1ncc(C=O)cn1 74278198 573299838 /nfs/dbraw/zinc/29/98/38/573299838.db2.gz JAXDULYICLSBKV-UHFFFAOYSA-N 1 2 188.190 0.783 20 0 ACADLO C[N@@H+](C/C=C/Cl)CC(N)=O 238343256 573327636 /nfs/dbraw/zinc/32/76/36/573327636.db2.gz FAFWIPRVXYHINI-NSCUHMNNSA-N 1 2 162.620 0.156 20 0 ACADLO C[N@H+](C/C=C/Cl)CC(N)=O 238343256 573327627 /nfs/dbraw/zinc/32/76/27/573327627.db2.gz FAFWIPRVXYHINI-NSCUHMNNSA-N 1 2 162.620 0.156 20 0 ACADLO C[C@@H]([NH3+])CNC(=O)C(F)(F)F 74532976 573349311 /nfs/dbraw/zinc/34/93/11/573349311.db2.gz OONGGRJKKUZEPO-GSVOUGTGSA-N 1 2 170.134 0.012 20 0 ACADLO C[C@H]([NH3+])CNC(=O)C(F)(F)F 74532968 573348808 /nfs/dbraw/zinc/34/88/08/573348808.db2.gz OONGGRJKKUZEPO-VKHMYHEASA-N 1 2 170.134 0.012 20 0 ACADLO CCOC(=O)[C@@H](C)[NH2+][C@H](C)CCO 132927121 573350845 /nfs/dbraw/zinc/35/08/45/573350845.db2.gz ULBNRIRKBQLZSA-HTQZYQBOSA-N 1 2 189.255 0.299 20 0 ACADLO CCOC(=O)[C@@H](C)[NH2+][C@@H](C)CCO 132926718 573351319 /nfs/dbraw/zinc/35/13/19/573351319.db2.gz ULBNRIRKBQLZSA-JGVFFNPUSA-N 1 2 189.255 0.299 20 0 ACADLO CCOC(=O)[C@H](C)[NH2+][C@@H](C)CCO 132926934 573351416 /nfs/dbraw/zinc/35/14/16/573351416.db2.gz ULBNRIRKBQLZSA-YUMQZZPRSA-N 1 2 189.255 0.299 20 0 ACADLO Cc1cc(C[N@@H+](C)C[C@@H](C)O)n[nH]1 308363038 573358181 /nfs/dbraw/zinc/35/81/81/573358181.db2.gz FNNUUZGGQXEANB-MRVPVSSYSA-N 1 2 183.255 0.531 20 0 ACADLO Cc1cc(C[N@H+](C)C[C@@H](C)O)n[nH]1 308363038 573358189 /nfs/dbraw/zinc/35/81/89/573358189.db2.gz FNNUUZGGQXEANB-MRVPVSSYSA-N 1 2 183.255 0.531 20 0 ACADLO COCCC[NH2+][C@]1(C)CCOC1=O 308367695 573362609 /nfs/dbraw/zinc/36/26/09/573362609.db2.gz OUXSGEKGTMJURM-SECBINFHSA-N 1 2 187.239 0.318 20 0 ACADLO CCCNC(=O)Cc1c[nH]c[nH+]1 74673112 573368038 /nfs/dbraw/zinc/36/80/38/573368038.db2.gz FEBRWTQWUOGXIM-UHFFFAOYSA-N 1 2 167.212 0.478 20 0 ACADLO CCCNC(=O)Cc1c[nH+]c[nH]1 74673112 573368043 /nfs/dbraw/zinc/36/80/43/573368043.db2.gz FEBRWTQWUOGXIM-UHFFFAOYSA-N 1 2 167.212 0.478 20 0 ACADLO CC(C)(C)NC(=O)Cc1c[nH]c[nH+]1 74673390 573372017 /nfs/dbraw/zinc/37/20/17/573372017.db2.gz CTKBTTBMDBHDDV-UHFFFAOYSA-N 1 2 181.239 0.867 20 0 ACADLO CC(C)(C)NC(=O)Cc1c[nH+]c[nH]1 74673390 573372022 /nfs/dbraw/zinc/37/20/22/573372022.db2.gz CTKBTTBMDBHDDV-UHFFFAOYSA-N 1 2 181.239 0.867 20 0 ACADLO CCN(CC)C(=O)Cc1c[nH+]c[nH]1 74673371 573372179 /nfs/dbraw/zinc/37/21/79/573372179.db2.gz NHYXENXPRPTAHF-UHFFFAOYSA-N 1 2 181.239 0.821 20 0 ACADLO CC[C@@H](C)NC(=O)Cc1c[nH]c[nH+]1 74673125 573372499 /nfs/dbraw/zinc/37/24/99/573372499.db2.gz WCBVMGMEWPJBFC-SSDOTTSWSA-N 1 2 181.239 0.867 20 0 ACADLO CC[C@@H](C)NC(=O)Cc1c[nH+]c[nH]1 74673125 573372505 /nfs/dbraw/zinc/37/25/05/573372505.db2.gz WCBVMGMEWPJBFC-SSDOTTSWSA-N 1 2 181.239 0.867 20 0 ACADLO CC[C@H]([NH2+]C[C@H](C)O)c1noc(C)n1 308565798 573376211 /nfs/dbraw/zinc/37/62/11/573376211.db2.gz AQIBWOCGBJIJRX-XPUUQOCRSA-N 1 2 199.254 0.800 20 0 ACADLO CC[C@@H]([NH2+]C[C@@H](C)O)c1noc(C)n1 308565783 573378367 /nfs/dbraw/zinc/37/83/67/573378367.db2.gz AQIBWOCGBJIJRX-HTRCEHHLSA-N 1 2 199.254 0.800 20 0 ACADLO CC[C@H]([NH2+]CCO)c1noc(C)n1 308372445 573385050 /nfs/dbraw/zinc/38/50/50/573385050.db2.gz QSXVKBRJGXALTK-ZETCQYMHSA-N 1 2 185.227 0.411 20 0 ACADLO C[C@@H]1C[N@H+](CCF)CCN1CCF 308373671 573386615 /nfs/dbraw/zinc/38/66/15/573386615.db2.gz MEXNHFQFASOYEH-SECBINFHSA-N 1 2 192.253 0.932 20 0 ACADLO C[C@@H]1C[N@@H+](CCF)CCN1CCF 308373671 573386619 /nfs/dbraw/zinc/38/66/19/573386619.db2.gz MEXNHFQFASOYEH-SECBINFHSA-N 1 2 192.253 0.932 20 0 ACADLO C[C@@H]1CN(CCF)CC[N@@H+]1CCF 308373671 573386625 /nfs/dbraw/zinc/38/66/25/573386625.db2.gz MEXNHFQFASOYEH-SECBINFHSA-N 1 2 192.253 0.932 20 0 ACADLO C[C@@H]1CN(CCF)CC[N@H+]1CCF 308373671 573386630 /nfs/dbraw/zinc/38/66/30/573386630.db2.gz MEXNHFQFASOYEH-SECBINFHSA-N 1 2 192.253 0.932 20 0 ACADLO C[C@H]1C[N@H+](CCF)CCN1CCF 308373672 573387615 /nfs/dbraw/zinc/38/76/15/573387615.db2.gz MEXNHFQFASOYEH-VIFPVBQESA-N 1 2 192.253 0.932 20 0 ACADLO C[C@H]1C[N@@H+](CCF)CCN1CCF 308373672 573387620 /nfs/dbraw/zinc/38/76/20/573387620.db2.gz MEXNHFQFASOYEH-VIFPVBQESA-N 1 2 192.253 0.932 20 0 ACADLO C[C@H]1CN(CCF)CC[N@@H+]1CCF 308373672 573387625 /nfs/dbraw/zinc/38/76/25/573387625.db2.gz MEXNHFQFASOYEH-VIFPVBQESA-N 1 2 192.253 0.932 20 0 ACADLO C[C@H]1CN(CCF)CC[N@H+]1CCF 308373672 573387629 /nfs/dbraw/zinc/38/76/29/573387629.db2.gz MEXNHFQFASOYEH-VIFPVBQESA-N 1 2 192.253 0.932 20 0 ACADLO CCC(=O)N1CCc2[nH]c[nH+]c2C1 74785453 573389498 /nfs/dbraw/zinc/38/94/98/573389498.db2.gz ZVMIWIPEXCQDNY-UHFFFAOYSA-N 1 2 179.223 0.704 20 0 ACADLO CCC(=O)N1CCc2[nH+]c[nH]c2C1 74785453 573389504 /nfs/dbraw/zinc/38/95/04/573389504.db2.gz ZVMIWIPEXCQDNY-UHFFFAOYSA-N 1 2 179.223 0.704 20 0 ACADLO O=C(C1CC1)N1CCc2[nH]c[nH+]c2C1 74785461 573393295 /nfs/dbraw/zinc/39/32/95/573393295.db2.gz MYEJCRNDMXFTPR-UHFFFAOYSA-N 1 2 191.234 0.704 20 0 ACADLO O=C(C1CC1)N1CCc2[nH+]c[nH]c2C1 74785461 573393300 /nfs/dbraw/zinc/39/33/00/573393300.db2.gz MYEJCRNDMXFTPR-UHFFFAOYSA-N 1 2 191.234 0.704 20 0 ACADLO C[NH+](C)CC(C)(C)[NH2+]CCC(=O)[O-] 308581735 573434080 /nfs/dbraw/zinc/43/40/80/573434080.db2.gz ZPBZKJYUMPCZHT-UHFFFAOYSA-N 1 2 188.271 0.391 20 0 ACADLO Cn1c[nH+]c(CNCc2cc[nH]n2)c1 308589679 573448271 /nfs/dbraw/zinc/44/82/71/573448271.db2.gz UQLJUMXDQJTQOJ-UHFFFAOYSA-N 1 2 191.238 0.433 20 0 ACADLO C/C=C\C(=O)NCc1[nH]cc[nH+]1 211326664 573452616 /nfs/dbraw/zinc/45/26/16/573452616.db2.gz PCLOHHOMQMTEGJ-IHWYPQMZSA-N 1 2 165.196 0.602 20 0 ACADLO CC=CC(=O)NCc1[nH]cc[nH+]1 211326664 573452622 /nfs/dbraw/zinc/45/26/22/573452622.db2.gz PCLOHHOMQMTEGJ-IHWYPQMZSA-N 1 2 165.196 0.602 20 0 ACADLO CO[C@@H](C)CN(C)c1cc(N)nc[nH+]1 308590679 573456520 /nfs/dbraw/zinc/45/65/20/573456520.db2.gz OOBPOLDQYGAUBA-ZETCQYMHSA-N 1 2 196.254 0.530 20 0 ACADLO COCc1noc([C@H](C)[NH+](C)C)n1 308394024 573497691 /nfs/dbraw/zinc/49/76/91/573497691.db2.gz CJKAWSFFLVXEFS-LURJTMIESA-N 1 2 185.227 0.839 20 0 ACADLO COC[C@H]([NH2+][C@@H]1CCOC1=O)C1CC1 308605295 573516802 /nfs/dbraw/zinc/51/68/02/573516802.db2.gz PLCSJBNIFWGXKG-BDAKNGLRSA-N 1 2 199.250 0.317 20 0 ACADLO COC[C@@H]([NH2+][C@H]1CCOC1=O)C1CC1 308605298 573520259 /nfs/dbraw/zinc/52/02/59/573520259.db2.gz PLCSJBNIFWGXKG-DTWKUNHWSA-N 1 2 199.250 0.317 20 0 ACADLO CNc1cc(NC/C=C/CO)nc[nH+]1 717486678 573564306 /nfs/dbraw/zinc/56/43/06/573564306.db2.gz MHZZBIRHRKYXQU-NSCUHMNNSA-N 1 2 194.238 0.479 20 0 ACADLO CNc1cc(NC/C=C/CO)[nH+]cn1 717486678 573564313 /nfs/dbraw/zinc/56/43/13/573564313.db2.gz MHZZBIRHRKYXQU-NSCUHMNNSA-N 1 2 194.238 0.479 20 0 ACADLO CNc1cc(NC/C=C\CO)nc[nH+]1 717486676 573564780 /nfs/dbraw/zinc/56/47/80/573564780.db2.gz MHZZBIRHRKYXQU-IHWYPQMZSA-N 1 2 194.238 0.479 20 0 ACADLO CNc1cc(NC/C=C\CO)[nH+]cn1 717486676 573564787 /nfs/dbraw/zinc/56/47/87/573564787.db2.gz MHZZBIRHRKYXQU-IHWYPQMZSA-N 1 2 194.238 0.479 20 0 ACADLO COCC(=O)OCc1cc[nH+]c(N)c1 308624672 573566644 /nfs/dbraw/zinc/56/66/44/573566644.db2.gz ZPVTYUPUWBRYMK-UHFFFAOYSA-N 1 2 196.206 0.353 20 0 ACADLO CO[C@@H](C)C[NH2+][C@@]1(C)CCOC1=O 308401826 573578712 /nfs/dbraw/zinc/57/87/12/573578712.db2.gz HMSOUPLNPKHMBU-CBAPKCEASA-N 1 2 187.239 0.317 20 0 ACADLO CO[C@H](C)C[NH2+][C@@]1(C)CCOC1=O 308401825 573579963 /nfs/dbraw/zinc/57/99/63/573579963.db2.gz HMSOUPLNPKHMBU-APPZFPTMSA-N 1 2 187.239 0.317 20 0 ACADLO CO[C@@H](C)C[NH2+][C@]1(C)CCOC1=O 308401827 573580233 /nfs/dbraw/zinc/58/02/33/573580233.db2.gz HMSOUPLNPKHMBU-IONNQARKSA-N 1 2 187.239 0.317 20 0 ACADLO C[C@H](NCC[NH+]1CCC1)c1ncc[nH]1 308659367 573620454 /nfs/dbraw/zinc/62/04/54/573620454.db2.gz PINPNTLVWYRQDE-VIFPVBQESA-N 1 2 194.282 0.766 20 0 ACADLO C[C@@H](NCC[NH+]1CCC1)c1ncc[nH]1 308659366 573621212 /nfs/dbraw/zinc/62/12/12/573621212.db2.gz PINPNTLVWYRQDE-SECBINFHSA-N 1 2 194.282 0.766 20 0 ACADLO Cc1[nH]ncc1C[NH2+][C@@H]1COC[C@H]1C 687963865 573630641 /nfs/dbraw/zinc/63/06/41/573630641.db2.gz IHWRVMQXHLZAEQ-GMSGAONNSA-N 1 2 195.266 0.843 20 0 ACADLO Cc1[nH]ncc1C[NH2+][C@H]1COC[C@H]1C 687963877 573630717 /nfs/dbraw/zinc/63/07/17/573630717.db2.gz IHWRVMQXHLZAEQ-XCBNKYQSSA-N 1 2 195.266 0.843 20 0 ACADLO C[C@H]([NH2+]CCF)c1nnnn1C1CC1 308653148 573645470 /nfs/dbraw/zinc/64/54/70/573645470.db2.gz MFSBKOPZMDKXPP-LURJTMIESA-N 1 2 199.233 0.628 20 0 ACADLO C[C@@H]([NH2+]CCF)c1nnnn1C1CC1 308653149 573645937 /nfs/dbraw/zinc/64/59/37/573645937.db2.gz MFSBKOPZMDKXPP-ZCFIWIBFSA-N 1 2 199.233 0.628 20 0 ACADLO OC/C=C/C[NH2+]Cc1csnn1 717520170 573650754 /nfs/dbraw/zinc/65/07/54/573650754.db2.gz CGIZHIMRLPPGKO-OWOJBTEDSA-N 1 2 185.252 0.176 20 0 ACADLO O=C(CCc1c[nH+]c[nH]1)NCCF 393548216 573680291 /nfs/dbraw/zinc/68/02/91/573680291.db2.gz VMDYXHFVULUBDH-UHFFFAOYSA-N 1 2 185.202 0.428 20 0 ACADLO O=C(CCc1c[nH]c[nH+]1)NCCF 393548216 573680294 /nfs/dbraw/zinc/68/02/94/573680294.db2.gz VMDYXHFVULUBDH-UHFFFAOYSA-N 1 2 185.202 0.428 20 0 ACADLO O=C(CCc1[nH]cc[nH+]1)N1CCC1 308415989 573683326 /nfs/dbraw/zinc/68/33/26/573683326.db2.gz QUAOJTIKIHYHFK-UHFFFAOYSA-N 1 2 179.223 0.575 20 0 ACADLO CN1CCC[C@@H]([NH2+]CC(F)F)C1 108043939 573686984 /nfs/dbraw/zinc/68/69/84/573686984.db2.gz KOEZDUOYXRMTQY-SSDOTTSWSA-N 1 2 178.226 0.935 20 0 ACADLO CN1CCC[C@H]([NH2+]CC(F)F)C1 108043935 573689411 /nfs/dbraw/zinc/68/94/11/573689411.db2.gz KOEZDUOYXRMTQY-ZETCQYMHSA-N 1 2 178.226 0.935 20 0 ACADLO COCCOC(=O)NCc1c[nH+]c[nH]1 308685641 573701390 /nfs/dbraw/zinc/70/13/90/573701390.db2.gz ZJBHCLZHSLZFEU-UHFFFAOYSA-N 1 2 199.210 0.282 20 0 ACADLO COCCOC(=O)NCc1c[nH]c[nH+]1 308685641 573701394 /nfs/dbraw/zinc/70/13/94/573701394.db2.gz ZJBHCLZHSLZFEU-UHFFFAOYSA-N 1 2 199.210 0.282 20 0 ACADLO COc1cc(N)c(CO)c[nH+]1 143273777 573738225 /nfs/dbraw/zinc/73/82/25/573738225.db2.gz MNLLRDPNHVUYPF-UHFFFAOYSA-N 1 2 154.169 0.165 20 0 ACADLO CCOC[C@@H](O)C[NH2+]CC(F)F 147661010 573757769 /nfs/dbraw/zinc/75/77/69/573757769.db2.gz BRZLVKXJQPMOHG-LURJTMIESA-N 1 2 183.198 0.239 20 0 ACADLO CCOC[C@H](O)C[NH2+]CC(F)F 147660816 573758671 /nfs/dbraw/zinc/75/86/71/573758671.db2.gz BRZLVKXJQPMOHG-ZCFIWIBFSA-N 1 2 183.198 0.239 20 0 ACADLO C[NH+](C)Cc1ccnc([S@](C)=O)n1 98179513 573760883 /nfs/dbraw/zinc/76/08/83/573760883.db2.gz SJISPGQFXCVXEM-CYBMUJFWSA-N 1 2 199.279 0.276 20 0 ACADLO O=C(NCc1c[nH+]c[nH]1)[C@H]1CCOC1 84081678 573761152 /nfs/dbraw/zinc/76/11/52/573761152.db2.gz IPFZYYOMYMFJIC-ZETCQYMHSA-N 1 2 195.222 0.062 20 0 ACADLO O=C(NCc1c[nH]c[nH+]1)[C@H]1CCOC1 84081678 573761155 /nfs/dbraw/zinc/76/11/55/573761155.db2.gz IPFZYYOMYMFJIC-ZETCQYMHSA-N 1 2 195.222 0.062 20 0 ACADLO CC(C)=CC(=O)NCc1c[nH+]c[nH]1 84081696 573762661 /nfs/dbraw/zinc/76/26/61/573762661.db2.gz RHJYOMPPFBCIPM-UHFFFAOYSA-N 1 2 179.223 0.992 20 0 ACADLO CC(C)=CC(=O)NCc1c[nH]c[nH+]1 84081696 573762668 /nfs/dbraw/zinc/76/26/68/573762668.db2.gz RHJYOMPPFBCIPM-UHFFFAOYSA-N 1 2 179.223 0.992 20 0 ACADLO COC(=O)NCc1c[nH+]c[nH]1 84081853 573765415 /nfs/dbraw/zinc/76/54/15/573765415.db2.gz QMRMBIQCCKTHMS-UHFFFAOYSA-N 1 2 155.157 0.266 20 0 ACADLO COC(=O)NCc1c[nH]c[nH+]1 84081853 573765419 /nfs/dbraw/zinc/76/54/19/573765419.db2.gz QMRMBIQCCKTHMS-UHFFFAOYSA-N 1 2 155.157 0.266 20 0 ACADLO O=C(NCc1c[nH+]c[nH]1)[C@@H]1CCOC1 84081677 573765731 /nfs/dbraw/zinc/76/57/31/573765731.db2.gz IPFZYYOMYMFJIC-SSDOTTSWSA-N 1 2 195.222 0.062 20 0 ACADLO O=C(NCc1c[nH]c[nH+]1)[C@@H]1CCOC1 84081677 573765741 /nfs/dbraw/zinc/76/57/41/573765741.db2.gz IPFZYYOMYMFJIC-SSDOTTSWSA-N 1 2 195.222 0.062 20 0 ACADLO CC=CC(=O)NCc1c[nH+]c[nH]1 84081698 573765835 /nfs/dbraw/zinc/76/58/35/573765835.db2.gz ZCVXSVSXOYZCGQ-NSCUHMNNSA-N 1 2 165.196 0.602 20 0 ACADLO C/C=C/C(=O)NCc1c[nH]c[nH+]1 84081698 573765839 /nfs/dbraw/zinc/76/58/39/573765839.db2.gz ZCVXSVSXOYZCGQ-NSCUHMNNSA-N 1 2 165.196 0.602 20 0 ACADLO Cc1nonc1C[NH2+]Cc1cc[nH]c1 308724033 573788422 /nfs/dbraw/zinc/78/84/22/573788422.db2.gz FSBUWWOQAXDZGY-UHFFFAOYSA-N 1 2 192.222 0.996 20 0 ACADLO CC[C@H](O)C[NH2+][C@@H](C)c1ncn(C)n1 308749233 573798828 /nfs/dbraw/zinc/79/88/28/573798828.db2.gz SWMPPLNDQOSVHC-YUMQZZPRSA-N 1 2 198.270 0.237 20 0 ACADLO COCC[C@@H](C)[NH2+][C@H]1CCOC1=O 308444299 573817379 /nfs/dbraw/zinc/81/73/79/573817379.db2.gz ANPITPMNRRRJPX-SFYZADRCSA-N 1 2 187.239 0.317 20 0 ACADLO CC1=NN(C2CC[NH2+]CC2)C(=O)C1 100734496 573814607 /nfs/dbraw/zinc/81/46/07/573814607.db2.gz XFMVKHJMSJXUMF-UHFFFAOYSA-N 1 2 181.239 0.347 20 0 ACADLO CN(c1cccc[nH+]1)[C@@H]1COC[C@H]1O 585298608 573845297 /nfs/dbraw/zinc/84/52/97/573845297.db2.gz XZMVUMROWZWGTH-RKDXNWHRSA-N 1 2 194.234 0.278 20 0 ACADLO C[C@H]([NH2+][C@H](C)Cn1cc[nH+]c1)C(=O)[O-] 43627929 573850502 /nfs/dbraw/zinc/85/05/02/573850502.db2.gz RYJJNCNXGPQEPQ-SFYZADRCSA-N 1 2 197.238 0.334 20 0 ACADLO C[C@H](Cn1cc[nH+]c1)[NH2+][C@H](C)C(=O)[O-] 43627935 573853455 /nfs/dbraw/zinc/85/34/55/573853455.db2.gz RYJJNCNXGPQEPQ-HTQZYQBOSA-N 1 2 197.238 0.334 20 0 ACADLO C[C@H](NC(=O)C1CC1)c1[nH]cc[nH+]1 125392471 573894519 /nfs/dbraw/zinc/89/45/19/573894519.db2.gz YUSKHOVRBUWXQW-LURJTMIESA-N 1 2 179.223 0.997 20 0 ACADLO Cc1cc(C[NH2+]CC(=O)N(C)C)no1 44296601 573897084 /nfs/dbraw/zinc/89/70/84/573897084.db2.gz NKEWRGOVGNCMCT-UHFFFAOYSA-N 1 2 197.238 0.161 20 0 ACADLO CN(C)c1cc(NCCCO)[nH+]cn1 259010571 573927590 /nfs/dbraw/zinc/92/75/90/573927590.db2.gz RBSKTYRMPHJJDP-UHFFFAOYSA-N 1 2 196.254 0.337 20 0 ACADLO CN(C)c1cc(NCCCO)nc[nH+]1 259010571 573927592 /nfs/dbraw/zinc/92/75/92/573927592.db2.gz RBSKTYRMPHJJDP-UHFFFAOYSA-N 1 2 196.254 0.337 20 0 ACADLO COCC[N@H+](C)CC(=O)OC(C)C 42267383 573935070 /nfs/dbraw/zinc/93/50/70/573935070.db2.gz RWUZYJUKFGTVGE-UHFFFAOYSA-N 1 2 189.255 0.516 20 0 ACADLO COCC[N@@H+](C)CC(=O)OC(C)C 42267383 573935074 /nfs/dbraw/zinc/93/50/74/573935074.db2.gz RWUZYJUKFGTVGE-UHFFFAOYSA-N 1 2 189.255 0.516 20 0 ACADLO Cc1cc(CNCc2[nH]cc[nH+]2)on1 44987503 573939359 /nfs/dbraw/zinc/93/93/59/573939359.db2.gz ADBRJQPMSMDXGS-UHFFFAOYSA-N 1 2 192.222 0.996 20 0 ACADLO C[C@H](CC(=O)[O-])[NH2+]CCn1cc[nH+]c1 42541344 573971754 /nfs/dbraw/zinc/97/17/54/573971754.db2.gz SYIGZTNQXHMSFS-MRVPVSSYSA-N 1 2 197.238 0.336 20 0 ACADLO OC1CC[NH+](Cc2cnc[nH]2)CC1 104401678 573977492 /nfs/dbraw/zinc/97/74/92/573977492.db2.gz AVBAPTHCEZDAQW-UHFFFAOYSA-N 1 2 181.239 0.366 20 0 ACADLO C[C@H](CC(=O)[O-])[NH2+][C@@H]1CC[N@H+](C)C1 42546783 573977726 /nfs/dbraw/zinc/97/77/26/573977726.db2.gz ALBSMQXJDJWMJB-HTQZYQBOSA-N 1 2 186.255 0.143 20 0 ACADLO C[C@H](CC(=O)[O-])[NH2+][C@@H]1CC[N@@H+](C)C1 42546783 573977729 /nfs/dbraw/zinc/97/77/29/573977729.db2.gz ALBSMQXJDJWMJB-HTQZYQBOSA-N 1 2 186.255 0.143 20 0 ACADLO C/C=C/C(=O)NCc1[nH+]ccn1C 82255057 573991805 /nfs/dbraw/zinc/99/18/05/573991805.db2.gz ZSBILYWVVDGQGV-ONEGZZNKSA-N 1 2 179.223 0.612 20 0 ACADLO CCn1c[nH+]cc1C[NH2+][C@@H](C)C(=O)[O-] 85183763 574006343 /nfs/dbraw/zinc/00/63/43/574006343.db2.gz LXEQQCVWVVTFLA-ZETCQYMHSA-N 1 2 197.238 0.466 20 0 ACADLO O=C1C[N@@H+](Cc2ccco2)CCCN1 259273127 574017139 /nfs/dbraw/zinc/01/71/39/574017139.db2.gz JYWDQRGWKKBZRL-UHFFFAOYSA-N 1 2 194.234 0.602 20 0 ACADLO O=C1C[N@H+](Cc2ccco2)CCCN1 259273127 574017136 /nfs/dbraw/zinc/01/71/36/574017136.db2.gz JYWDQRGWKKBZRL-UHFFFAOYSA-N 1 2 194.234 0.602 20 0 ACADLO c1snnc1C[NH2+][C@H]1CCOC1 87784689 574036159 /nfs/dbraw/zinc/03/61/59/574036159.db2.gz RKTNNNBQLZAVNA-LURJTMIESA-N 1 2 185.252 0.417 20 0 ACADLO CC[C@H](CO)Nc1cc(NC)nc[nH+]1 87810701 574040880 /nfs/dbraw/zinc/04/08/80/574040880.db2.gz AYAJGGFLHVKCHF-SSDOTTSWSA-N 1 2 196.254 0.701 20 0 ACADLO CNc1cc(NC[C@@H](C)O)[nH+]cn1 87811051 574040062 /nfs/dbraw/zinc/04/00/62/574040062.db2.gz KOFFWDPLBLIPCZ-ZCFIWIBFSA-N 1 2 182.227 0.311 20 0 ACADLO CC[C@H](CO)Nc1cc(NC)[nH+]cn1 87810701 574040878 /nfs/dbraw/zinc/04/08/78/574040878.db2.gz AYAJGGFLHVKCHF-SSDOTTSWSA-N 1 2 196.254 0.701 20 0 ACADLO CNc1cc(N[C@H](C)CO)nc[nH+]1 87811364 574040892 /nfs/dbraw/zinc/04/08/92/574040892.db2.gz UMTHMBFWSISEAB-ZCFIWIBFSA-N 1 2 182.227 0.311 20 0 ACADLO CNc1cc(N[C@H](C)CO)[nH+]cn1 87811364 574040895 /nfs/dbraw/zinc/04/08/95/574040895.db2.gz UMTHMBFWSISEAB-ZCFIWIBFSA-N 1 2 182.227 0.311 20 0 ACADLO CNc1cc(N2CC[C@H](O)C2)nc[nH+]1 87828625 574043023 /nfs/dbraw/zinc/04/30/23/574043023.db2.gz PVRJOMKPNFJMPK-ZETCQYMHSA-N 1 2 194.238 0.089 20 0 ACADLO CNc1cc(N2CC[C@H](O)C2)[nH+]cn1 87828625 574043025 /nfs/dbraw/zinc/04/30/25/574043025.db2.gz PVRJOMKPNFJMPK-ZETCQYMHSA-N 1 2 194.238 0.089 20 0 ACADLO CNc1cc(N[C@@H]2CCOC2)nc[nH+]1 87839042 574045518 /nfs/dbraw/zinc/04/55/18/574045518.db2.gz IZKXLMMUOBLLDU-SSDOTTSWSA-N 1 2 194.238 0.719 20 0 ACADLO CNc1cc(N[C@@H]2CCOC2)[nH+]cn1 87839042 574045519 /nfs/dbraw/zinc/04/55/19/574045519.db2.gz IZKXLMMUOBLLDU-SSDOTTSWSA-N 1 2 194.238 0.719 20 0 ACADLO CNc1cc(N[C@H]2CCOC2)nc[nH+]1 87839043 574045929 /nfs/dbraw/zinc/04/59/29/574045929.db2.gz IZKXLMMUOBLLDU-ZETCQYMHSA-N 1 2 194.238 0.719 20 0 ACADLO CNc1cc(N[C@H]2CCOC2)[nH+]cn1 87839043 574045931 /nfs/dbraw/zinc/04/59/31/574045931.db2.gz IZKXLMMUOBLLDU-ZETCQYMHSA-N 1 2 194.238 0.719 20 0 ACADLO CNc1cc(NCC(C)(C)O)[nH+]cn1 87832078 574046291 /nfs/dbraw/zinc/04/62/91/574046291.db2.gz FMWHPOJBESBQFR-UHFFFAOYSA-N 1 2 196.254 0.701 20 0 ACADLO CN(CC(C)(C)O)c1cc(N)nc[nH+]1 87838503 574046384 /nfs/dbraw/zinc/04/63/84/574046384.db2.gz WQNUMWRLLWXLHN-UHFFFAOYSA-N 1 2 196.254 0.266 20 0 ACADLO CCCC(=O)NCCn1cc[nH+]c1 39126433 486722780 /nfs/dbraw/zinc/72/27/80/486722780.db2.gz KOVFAZUIRYCSTA-UHFFFAOYSA-N 1 2 181.239 0.799 20 0 ACADLO c1nnc(C[NH+]2CCCC2)[nH]1 39080323 486723180 /nfs/dbraw/zinc/72/31/80/486723180.db2.gz XNSYBJFJSSODRS-UHFFFAOYSA-N 1 2 152.201 0.401 20 0 ACADLO CCCCNC(=O)Cn1cc[nH+]c1 42989280 486727552 /nfs/dbraw/zinc/72/75/52/486727552.db2.gz ACFPKJYWTVCNGZ-UHFFFAOYSA-N 1 2 181.239 0.799 20 0 ACADLO CCNC(=O)N1CC(n2cc[nH+]c2)C1 669841008 486735405 /nfs/dbraw/zinc/73/54/05/486735405.db2.gz BOCZWKVFMLDZHA-UHFFFAOYSA-N 1 2 194.238 0.469 20 0 ACADLO Cc1nc(C[N@@H+](CCO)C(C)C)no1 50103619 486735958 /nfs/dbraw/zinc/73/59/58/486735958.db2.gz FAWQDKITKLCSHM-UHFFFAOYSA-N 1 2 199.254 0.581 20 0 ACADLO Cc1nc(C[N@H+](CCO)C(C)C)no1 50103619 486735967 /nfs/dbraw/zinc/73/59/67/486735967.db2.gz FAWQDKITKLCSHM-UHFFFAOYSA-N 1 2 199.254 0.581 20 0 ACADLO CCC[N@H+](CCO)Cc1nnc(C)o1 49826566 486736412 /nfs/dbraw/zinc/73/64/12/486736412.db2.gz LEZDSEUNPDCASH-UHFFFAOYSA-N 1 2 199.254 0.582 20 0 ACADLO CCC[N@@H+](CCO)Cc1nnc(C)o1 49826566 486736417 /nfs/dbraw/zinc/73/64/17/486736417.db2.gz LEZDSEUNPDCASH-UHFFFAOYSA-N 1 2 199.254 0.582 20 0 ACADLO Cc1noc(C[N@@H+](CCO)C(C)C)n1 50103618 486736523 /nfs/dbraw/zinc/73/65/23/486736523.db2.gz MDMAGRDZWUOFIH-UHFFFAOYSA-N 1 2 199.254 0.581 20 0 ACADLO Cc1noc(C[N@H+](CCO)C(C)C)n1 50103618 486736527 /nfs/dbraw/zinc/73/65/27/486736527.db2.gz MDMAGRDZWUOFIH-UHFFFAOYSA-N 1 2 199.254 0.581 20 0 ACADLO CC(C)[N@H+](CCO)CC(F)F 50103713 486736647 /nfs/dbraw/zinc/73/66/47/486736647.db2.gz HSDQOQBXPKMVLF-UHFFFAOYSA-N 1 2 167.199 0.954 20 0 ACADLO CC(C)[N@@H+](CCO)CC(F)F 50103713 486736650 /nfs/dbraw/zinc/73/66/50/486736650.db2.gz HSDQOQBXPKMVLF-UHFFFAOYSA-N 1 2 167.199 0.954 20 0 ACADLO Cc1nnc(C[N@@H+](CCO)C(C)C)o1 49826568 486736682 /nfs/dbraw/zinc/73/66/82/486736682.db2.gz RVAOYLWZZVXZOW-UHFFFAOYSA-N 1 2 199.254 0.581 20 0 ACADLO Cc1nnc(C[N@H+](CCO)C(C)C)o1 49826568 486736685 /nfs/dbraw/zinc/73/66/85/486736685.db2.gz RVAOYLWZZVXZOW-UHFFFAOYSA-N 1 2 199.254 0.581 20 0 ACADLO OC[C@@]1(F)CCN(Cc2[nH]cc[nH+]2)C1 670113483 486736703 /nfs/dbraw/zinc/73/67/03/486736703.db2.gz PNKIMZRNWCTDEJ-SECBINFHSA-N 1 2 199.229 0.316 20 0 ACADLO OC[C@@]1(F)CCN(Cc2c[nH+]c[nH]2)C1 670112945 486736924 /nfs/dbraw/zinc/73/69/24/486736924.db2.gz HCEHAXNJYVYTJC-SECBINFHSA-N 1 2 199.229 0.316 20 0 ACADLO OC[C@]1(F)CCN(Cc2c[nH+]c[nH]2)C1 670112946 486737002 /nfs/dbraw/zinc/73/70/02/486737002.db2.gz HCEHAXNJYVYTJC-VIFPVBQESA-N 1 2 199.229 0.316 20 0 ACADLO OC[C@]1(F)CCN(Cc2[nH]cc[nH+]2)C1 670113484 486737050 /nfs/dbraw/zinc/73/70/50/486737050.db2.gz PNKIMZRNWCTDEJ-VIFPVBQESA-N 1 2 199.229 0.316 20 0 ACADLO C[N@@H+](Cc1cn[nH]n1)C[C@@H]1CCOC1 670991071 486743070 /nfs/dbraw/zinc/74/30/70/486743070.db2.gz ADJBFGCJAQTJJG-QMMMGPOBSA-N 1 2 196.254 0.273 20 0 ACADLO OC[C@@]1(F)CC[N@H+](Cc2cn[nH]c2)C1 670273347 486739475 /nfs/dbraw/zinc/73/94/75/486739475.db2.gz IAMMNDAHSZRPFT-SECBINFHSA-N 1 2 199.229 0.316 20 0 ACADLO OC[C@@]1(F)CC[N@@H+](Cc2cn[nH]c2)C1 670273347 486739479 /nfs/dbraw/zinc/73/94/79/486739479.db2.gz IAMMNDAHSZRPFT-SECBINFHSA-N 1 2 199.229 0.316 20 0 ACADLO OC[C@]1(F)CC[N@H+](Cc2cn[nH]c2)C1 670273348 486739550 /nfs/dbraw/zinc/73/95/50/486739550.db2.gz IAMMNDAHSZRPFT-VIFPVBQESA-N 1 2 199.229 0.316 20 0 ACADLO OC[C@]1(F)CC[N@@H+](Cc2cn[nH]c2)C1 670273348 486739553 /nfs/dbraw/zinc/73/95/53/486739553.db2.gz IAMMNDAHSZRPFT-VIFPVBQESA-N 1 2 199.229 0.316 20 0 ACADLO c1n[nH]cc1C[N@@H+]1CCOCC12CC2 670273155 486739742 /nfs/dbraw/zinc/73/97/42/486739742.db2.gz WWNYFADQGYFQOM-UHFFFAOYSA-N 1 2 193.250 0.775 20 0 ACADLO c1n[nH]cc1C[N@H+]1CCOCC12CC2 670273155 486739747 /nfs/dbraw/zinc/73/97/47/486739747.db2.gz WWNYFADQGYFQOM-UHFFFAOYSA-N 1 2 193.250 0.775 20 0 ACADLO OCCOCCNc1cccc[nH+]1 51449053 486740623 /nfs/dbraw/zinc/74/06/23/486740623.db2.gz OSBXJLQLKFXFNF-UHFFFAOYSA-N 1 2 182.223 0.502 20 0 ACADLO OC[C@@H]1CCC[N@@H+](Cc2cnn[nH]2)C1 670989769 486741454 /nfs/dbraw/zinc/74/14/54/486741454.db2.gz XQKJERNZFOINNR-MRVPVSSYSA-N 1 2 196.254 0.009 20 0 ACADLO OC[C@@H]1CCC[N@H+](Cc2cnn[nH]2)C1 670989769 486741449 /nfs/dbraw/zinc/74/14/49/486741449.db2.gz XQKJERNZFOINNR-MRVPVSSYSA-N 1 2 196.254 0.009 20 0 ACADLO OC[C@@H]1CCC[N@H+](Cc2c[nH]nn2)C1 670989769 486741456 /nfs/dbraw/zinc/74/14/56/486741456.db2.gz XQKJERNZFOINNR-MRVPVSSYSA-N 1 2 196.254 0.009 20 0 ACADLO OC[C@@H]1CCC[N@@H+](Cc2c[nH]nn2)C1 670989769 486741460 /nfs/dbraw/zinc/74/14/60/486741460.db2.gz XQKJERNZFOINNR-MRVPVSSYSA-N 1 2 196.254 0.009 20 0 ACADLO OC[C@@H]1CCC[N@H+](Cc2cn[nH]n2)C1 670989769 486741465 /nfs/dbraw/zinc/74/14/65/486741465.db2.gz XQKJERNZFOINNR-MRVPVSSYSA-N 1 2 196.254 0.009 20 0 ACADLO OC[C@@H]1CCC[N@@H+](Cc2cn[nH]n2)C1 670989769 486741468 /nfs/dbraw/zinc/74/14/68/486741468.db2.gz XQKJERNZFOINNR-MRVPVSSYSA-N 1 2 196.254 0.009 20 0 ACADLO C[C@H](O)CN(C)c1cc(CO)cc[nH+]1 51839533 486741651 /nfs/dbraw/zinc/74/16/51/486741651.db2.gz QPARSDRMZOOHKI-QMMMGPOBSA-N 1 2 196.250 0.391 20 0 ACADLO CC(C)[N@H+](CC(N)=O)Cc1cc[nH]n1 670989561 486741723 /nfs/dbraw/zinc/74/17/23/486741723.db2.gz FLBOSCOSARBLSM-UHFFFAOYSA-N 1 2 196.254 0.105 20 0 ACADLO CC(C)[N@@H+](CC(N)=O)Cc1cc[nH]n1 670989561 486741727 /nfs/dbraw/zinc/74/17/27/486741727.db2.gz FLBOSCOSARBLSM-UHFFFAOYSA-N 1 2 196.254 0.105 20 0 ACADLO OC[C@H]1CCC[N@@H+](Cc2c[nH]nn2)C1 670989770 486741822 /nfs/dbraw/zinc/74/18/22/486741822.db2.gz XQKJERNZFOINNR-QMMMGPOBSA-N 1 2 196.254 0.009 20 0 ACADLO OC[C@H]1CCC[N@H+](Cc2cn[nH]n2)C1 670989770 486741827 /nfs/dbraw/zinc/74/18/27/486741827.db2.gz XQKJERNZFOINNR-QMMMGPOBSA-N 1 2 196.254 0.009 20 0 ACADLO OC[C@H]1CCC[N@@H+](Cc2cn[nH]n2)C1 670989770 486741830 /nfs/dbraw/zinc/74/18/30/486741830.db2.gz XQKJERNZFOINNR-QMMMGPOBSA-N 1 2 196.254 0.009 20 0 ACADLO OC[C@H]1CCC[N@H+](Cc2cnn[nH]2)C1 670989770 486741807 /nfs/dbraw/zinc/74/18/07/486741807.db2.gz XQKJERNZFOINNR-QMMMGPOBSA-N 1 2 196.254 0.009 20 0 ACADLO OC[C@H]1CCC[N@@H+](Cc2cnn[nH]2)C1 670989770 486741812 /nfs/dbraw/zinc/74/18/12/486741812.db2.gz XQKJERNZFOINNR-QMMMGPOBSA-N 1 2 196.254 0.009 20 0 ACADLO OC[C@H]1CCC[N@H+](Cc2c[nH]nn2)C1 670989770 486741817 /nfs/dbraw/zinc/74/18/17/486741817.db2.gz XQKJERNZFOINNR-QMMMGPOBSA-N 1 2 196.254 0.009 20 0 ACADLO OCC1CC[NH+](Cc2cnn[nH]2)CC1 670990292 486742136 /nfs/dbraw/zinc/74/21/36/486742136.db2.gz SBLXRTQWVOGHNK-UHFFFAOYSA-N 1 2 196.254 0.009 20 0 ACADLO OCC1CC[NH+](Cc2c[nH]nn2)CC1 670990292 486742137 /nfs/dbraw/zinc/74/21/37/486742137.db2.gz SBLXRTQWVOGHNK-UHFFFAOYSA-N 1 2 196.254 0.009 20 0 ACADLO OCC1CC[NH+](Cc2cn[nH]n2)CC1 670990292 486742143 /nfs/dbraw/zinc/74/21/43/486742143.db2.gz SBLXRTQWVOGHNK-UHFFFAOYSA-N 1 2 196.254 0.009 20 0 ACADLO C[N@@H+](Cc1cnn[nH]1)C[C@H]1CCOC1 670991070 486742792 /nfs/dbraw/zinc/74/27/92/486742792.db2.gz ADJBFGCJAQTJJG-MRVPVSSYSA-N 1 2 196.254 0.273 20 0 ACADLO C[N@H+](Cc1cnn[nH]1)C[C@H]1CCOC1 670991070 486742800 /nfs/dbraw/zinc/74/28/00/486742800.db2.gz ADJBFGCJAQTJJG-MRVPVSSYSA-N 1 2 196.254 0.273 20 0 ACADLO C[N@@H+](Cc1c[nH]nn1)C[C@H]1CCOC1 670991070 486742803 /nfs/dbraw/zinc/74/28/03/486742803.db2.gz ADJBFGCJAQTJJG-MRVPVSSYSA-N 1 2 196.254 0.273 20 0 ACADLO C[N@H+](Cc1c[nH]nn1)C[C@H]1CCOC1 670991070 486742808 /nfs/dbraw/zinc/74/28/08/486742808.db2.gz ADJBFGCJAQTJJG-MRVPVSSYSA-N 1 2 196.254 0.273 20 0 ACADLO C[N@@H+](Cc1cn[nH]n1)C[C@H]1CCOC1 670991070 486742811 /nfs/dbraw/zinc/74/28/11/486742811.db2.gz ADJBFGCJAQTJJG-MRVPVSSYSA-N 1 2 196.254 0.273 20 0 ACADLO C[N@H+](Cc1cn[nH]n1)C[C@H]1CCOC1 670991070 486742816 /nfs/dbraw/zinc/74/28/16/486742816.db2.gz ADJBFGCJAQTJJG-MRVPVSSYSA-N 1 2 196.254 0.273 20 0 ACADLO Cc1nc([C@H](C)[N@@H+]2CC[C@@H](O)C2)no1 670991516 486742953 /nfs/dbraw/zinc/74/29/53/486742953.db2.gz NAUWHFMFLWLONB-POYBYMJQSA-N 1 2 197.238 0.506 20 0 ACADLO Cc1nc([C@H](C)[N@H+]2CC[C@@H](O)C2)no1 670991516 486742958 /nfs/dbraw/zinc/74/29/58/486742958.db2.gz 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C[N@H+](Cc1cn[nH]n1)C[C@@H]1CCOC1 670991071 486743074 /nfs/dbraw/zinc/74/30/74/486743074.db2.gz ADJBFGCJAQTJJG-QMMMGPOBSA-N 1 2 196.254 0.273 20 0 ACADLO Cc1nc([C@H](C)[N@@H+]2CC[C@H](O)C2)no1 670991518 486743185 /nfs/dbraw/zinc/74/31/85/486743185.db2.gz NAUWHFMFLWLONB-XPUUQOCRSA-N 1 2 197.238 0.506 20 0 ACADLO Cc1nc([C@H](C)[N@H+]2CC[C@H](O)C2)no1 670991518 486743187 /nfs/dbraw/zinc/74/31/87/486743187.db2.gz NAUWHFMFLWLONB-XPUUQOCRSA-N 1 2 197.238 0.506 20 0 ACADLO CC[N@H+](Cc1cnn[nH]1)CC(C)(C)O 670991156 486743194 /nfs/dbraw/zinc/74/31/94/486743194.db2.gz LZHCUCAAIGGKQF-UHFFFAOYSA-N 1 2 198.270 0.398 20 0 ACADLO CC[N@@H+](Cc1cnn[nH]1)CC(C)(C)O 670991156 486743198 /nfs/dbraw/zinc/74/31/98/486743198.db2.gz LZHCUCAAIGGKQF-UHFFFAOYSA-N 1 2 198.270 0.398 20 0 ACADLO CC[N@H+](Cc1c[nH]nn1)CC(C)(C)O 670991156 486743199 /nfs/dbraw/zinc/74/31/99/486743199.db2.gz LZHCUCAAIGGKQF-UHFFFAOYSA-N 1 2 198.270 0.398 20 0 ACADLO CC[N@@H+](Cc1c[nH]nn1)CC(C)(C)O 670991156 486743203 /nfs/dbraw/zinc/74/32/03/486743203.db2.gz LZHCUCAAIGGKQF-UHFFFAOYSA-N 1 2 198.270 0.398 20 0 ACADLO CC[N@H+](Cc1cn[nH]n1)CC(C)(C)O 670991156 486743205 /nfs/dbraw/zinc/74/32/05/486743205.db2.gz LZHCUCAAIGGKQF-UHFFFAOYSA-N 1 2 198.270 0.398 20 0 ACADLO CC[N@@H+](Cc1cn[nH]n1)CC(C)(C)O 670991156 486743209 /nfs/dbraw/zinc/74/32/09/486743209.db2.gz LZHCUCAAIGGKQF-UHFFFAOYSA-N 1 2 198.270 0.398 20 0 ACADLO Cc1cn[nH]c1C[NH+]1CCC(O)CC1 671126137 486743258 /nfs/dbraw/zinc/74/32/58/486743258.db2.gz OZGCGZILJFUHRS-UHFFFAOYSA-N 1 2 195.266 0.675 20 0 ACADLO CC[N@H+](CCO)[C@H](C)c1noc(C)n1 670990908 486743303 /nfs/dbraw/zinc/74/33/03/486743303.db2.gz KVRQNVSCRZODCW-SSDOTTSWSA-N 1 2 199.254 0.753 20 0 ACADLO CC[N@@H+](CCO)[C@H](C)c1noc(C)n1 670990908 486743307 /nfs/dbraw/zinc/74/33/07/486743307.db2.gz KVRQNVSCRZODCW-SSDOTTSWSA-N 1 2 199.254 0.753 20 0 ACADLO Cc1nc([C@@H](C)[N@@H+]2CC[C@@H](O)C2)no1 670991515 486743335 /nfs/dbraw/zinc/74/33/35/486743335.db2.gz NAUWHFMFLWLONB-HTRCEHHLSA-N 1 2 197.238 0.506 20 0 ACADLO Cc1nc([C@@H](C)[N@H+]2CC[C@@H](O)C2)no1 670991515 486743341 /nfs/dbraw/zinc/74/33/41/486743341.db2.gz NAUWHFMFLWLONB-HTRCEHHLSA-N 1 2 197.238 0.506 20 0 ACADLO Cc1nc([C@@H](C)[N@@H+]2CC[C@H](O)C2)no1 670991517 486743363 /nfs/dbraw/zinc/74/33/63/486743363.db2.gz NAUWHFMFLWLONB-SVRRBLITSA-N 1 2 197.238 0.506 20 0 ACADLO Cc1nc([C@@H](C)[N@H+]2CC[C@H](O)C2)no1 670991517 486743366 /nfs/dbraw/zinc/74/33/66/486743366.db2.gz NAUWHFMFLWLONB-SVRRBLITSA-N 1 2 197.238 0.506 20 0 ACADLO CCc1nnc(C[N@H+](C)[C@H](C)CO)[nH]1 671249028 486746622 /nfs/dbraw/zinc/74/66/22/486746622.db2.gz AEBSOUFNHKJDKW-SSDOTTSWSA-N 1 2 198.270 0.180 20 0 ACADLO CCc1nnc(C[N@@H+](C)[C@H](C)CO)[nH]1 671249028 486746629 /nfs/dbraw/zinc/74/66/29/486746629.db2.gz AEBSOUFNHKJDKW-SSDOTTSWSA-N 1 2 198.270 0.180 20 0 ACADLO OCC1([NH2+]Cc2ccn[nH]2)CCCC1 53045179 486747013 /nfs/dbraw/zinc/74/70/13/486747013.db2.gz QBDIOQQTSJETHS-UHFFFAOYSA-N 1 2 195.266 0.804 20 0 ACADLO Cc1nnc(C[N@@H+](C)[C@H]2CCOC2)[nH]1 671626212 486749330 /nfs/dbraw/zinc/74/93/30/486749330.db2.gz WQAPLGANIPVTBW-QMMMGPOBSA-N 1 2 196.254 0.334 20 0 ACADLO Cc1nnc(C[N@H+](C)[C@H]2CCOC2)[nH]1 671626212 486749333 /nfs/dbraw/zinc/74/93/33/486749333.db2.gz WQAPLGANIPVTBW-QMMMGPOBSA-N 1 2 196.254 0.334 20 0 ACADLO Cc1nnc(C[N@@H+](C)[C@@H]2CCOC2)[nH]1 671626211 486749430 /nfs/dbraw/zinc/74/94/30/486749430.db2.gz WQAPLGANIPVTBW-MRVPVSSYSA-N 1 2 196.254 0.334 20 0 ACADLO Cc1nnc(C[N@H+](C)[C@@H]2CCOC2)[nH]1 671626211 486749435 /nfs/dbraw/zinc/74/94/35/486749435.db2.gz WQAPLGANIPVTBW-MRVPVSSYSA-N 1 2 196.254 0.334 20 0 ACADLO CC(C)[C@@H](O)C(=O)NCc1[nH]cc[nH+]1 671720077 486754052 /nfs/dbraw/zinc/75/40/52/486754052.db2.gz JWETVCSWYCSSGQ-MRVPVSSYSA-N 1 2 197.238 0.043 20 0 ACADLO Cn1ccnc1C[N@H+](C)C1(CO)CC1 671727313 486754322 /nfs/dbraw/zinc/75/43/22/486754322.db2.gz WYZUYTUFLWKXOQ-UHFFFAOYSA-N 1 2 195.266 0.377 20 0 ACADLO Cn1ccnc1C[N@@H+](C)C1(CO)CC1 671727313 486754328 /nfs/dbraw/zinc/75/43/28/486754328.db2.gz 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671737100 486755134 /nfs/dbraw/zinc/75/51/34/486755134.db2.gz JOQQKTGSDIAHBW-QMMMGPOBSA-N 1 2 198.270 0.282 20 0 ACADLO CO[C@@H](C)C[N@@H+](C)Cc1nncn1C 671737100 486755139 /nfs/dbraw/zinc/75/51/39/486755139.db2.gz JOQQKTGSDIAHBW-QMMMGPOBSA-N 1 2 198.270 0.282 20 0 ACADLO CO[C@H](C)C[N@H+](C)Cc1nnc(C)o1 671737091 486755148 /nfs/dbraw/zinc/75/51/48/486755148.db2.gz BNRXQUJUZLAFMC-SSDOTTSWSA-N 1 2 199.254 0.845 20 0 ACADLO CO[C@H](C)C[N@@H+](C)Cc1nnc(C)o1 671737091 486755154 /nfs/dbraw/zinc/75/51/54/486755154.db2.gz BNRXQUJUZLAFMC-SSDOTTSWSA-N 1 2 199.254 0.845 20 0 ACADLO CO[C@@H](C)C[N@H+](C)Cc1cn(C)nn1 671737139 486755369 /nfs/dbraw/zinc/75/53/69/486755369.db2.gz XSSVWGKXSJIBJI-QMMMGPOBSA-N 1 2 198.270 0.282 20 0 ACADLO CO[C@@H](C)C[N@@H+](C)Cc1cn(C)nn1 671737139 486755373 /nfs/dbraw/zinc/75/53/73/486755373.db2.gz XSSVWGKXSJIBJI-QMMMGPOBSA-N 1 2 198.270 0.282 20 0 ACADLO CC(C)[C@@H](O)C(=O)NCc1c[nH+]c[nH]1 671733229 486755414 /nfs/dbraw/zinc/75/54/14/486755414.db2.gz 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CO[C@H](C)C[N@@H+](C)Cc1cn(C)nn1 671737138 486755677 /nfs/dbraw/zinc/75/56/77/486755677.db2.gz XSSVWGKXSJIBJI-MRVPVSSYSA-N 1 2 198.270 0.282 20 0 ACADLO CO[C@@H](C)C[N@H+](C)Cc1nc(C)no1 671737088 486755832 /nfs/dbraw/zinc/75/58/32/486755832.db2.gz WIDDUUHUWZPMNC-ZETCQYMHSA-N 1 2 199.254 0.845 20 0 ACADLO CO[C@@H](C)C[N@@H+](C)Cc1nc(C)no1 671737088 486755833 /nfs/dbraw/zinc/75/58/33/486755833.db2.gz WIDDUUHUWZPMNC-ZETCQYMHSA-N 1 2 199.254 0.845 20 0 ACADLO CO[C@H](C)C[N@H+](C)Cc1ncccn1 671737131 486755840 /nfs/dbraw/zinc/75/58/40/486755840.db2.gz UNJCEPRJIBTJNH-SECBINFHSA-N 1 2 195.266 0.943 20 0 ACADLO CO[C@H](C)C[N@@H+](C)Cc1ncccn1 671737131 486755843 /nfs/dbraw/zinc/75/58/43/486755843.db2.gz UNJCEPRJIBTJNH-SECBINFHSA-N 1 2 195.266 0.943 20 0 ACADLO CO[C@H](C)C[N@H+](C)Cc1nncn1C 671737099 486755847 /nfs/dbraw/zinc/75/58/47/486755847.db2.gz JOQQKTGSDIAHBW-MRVPVSSYSA-N 1 2 198.270 0.282 20 0 ACADLO CO[C@H](C)C[N@@H+](C)Cc1nncn1C 671737099 486755850 /nfs/dbraw/zinc/75/58/50/486755850.db2.gz JOQQKTGSDIAHBW-MRVPVSSYSA-N 1 2 198.270 0.282 20 0 ACADLO CO[C@H](C)C[N@H+](C)Cc1nc(C)no1 671737087 486755943 /nfs/dbraw/zinc/75/59/43/486755943.db2.gz WIDDUUHUWZPMNC-SSDOTTSWSA-N 1 2 199.254 0.845 20 0 ACADLO CO[C@H](C)C[N@@H+](C)Cc1nc(C)no1 671737087 486755947 /nfs/dbraw/zinc/75/59/47/486755947.db2.gz WIDDUUHUWZPMNC-SSDOTTSWSA-N 1 2 199.254 0.845 20 0 ACADLO CO[C@@H](C)C[N@H+](C)Cc1ncc[nH]1 671737446 486756384 /nfs/dbraw/zinc/75/63/84/486756384.db2.gz QIKXJMQVNPGBHO-QMMMGPOBSA-N 1 2 183.255 0.876 20 0 ACADLO CO[C@@H](C)C[N@@H+](C)Cc1ncc[nH]1 671737446 486756391 /nfs/dbraw/zinc/75/63/91/486756391.db2.gz QIKXJMQVNPGBHO-QMMMGPOBSA-N 1 2 183.255 0.876 20 0 ACADLO CO[C@H](C)C[N@H+](C)Cc1ncc[nH]1 671737445 486756780 /nfs/dbraw/zinc/75/67/80/486756780.db2.gz QIKXJMQVNPGBHO-MRVPVSSYSA-N 1 2 183.255 0.876 20 0 ACADLO CO[C@H](C)C[N@@H+](C)Cc1ncc[nH]1 671737445 486756784 /nfs/dbraw/zinc/75/67/84/486756784.db2.gz QIKXJMQVNPGBHO-MRVPVSSYSA-N 1 2 183.255 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486762660 /nfs/dbraw/zinc/76/26/60/486762660.db2.gz PTAGMNBHLMNHRJ-MRVPVSSYSA-N 1 2 193.250 0.387 20 0 ACADLO C[C@@H](C(N)=O)[N@@H+](C)Cc1ccccn1 61679071 486762804 /nfs/dbraw/zinc/76/28/04/486762804.db2.gz PTAGMNBHLMNHRJ-QMMMGPOBSA-N 1 2 193.250 0.387 20 0 ACADLO C[C@@H](C(N)=O)[N@H+](C)Cc1ccccn1 61679071 486762801 /nfs/dbraw/zinc/76/28/01/486762801.db2.gz PTAGMNBHLMNHRJ-QMMMGPOBSA-N 1 2 193.250 0.387 20 0 ACADLO Cc1nnc(N(C)Cc2[nH]cc[nH+]2)o1 672217797 486762860 /nfs/dbraw/zinc/76/28/60/486762860.db2.gz SQHVGUWXLFQZGB-UHFFFAOYSA-N 1 2 193.210 0.738 20 0 ACADLO Cc1cc(N(C)CCC(N)=O)nc[nH+]1 672337053 486764573 /nfs/dbraw/zinc/76/45/73/486764573.db2.gz QHGBVTMUPCTMDV-UHFFFAOYSA-N 1 2 194.238 0.097 20 0 ACADLO Cc1nc(N(C)CCC(N)=O)cc[nH+]1 672337102 486764799 /nfs/dbraw/zinc/76/47/99/486764799.db2.gz SIEPLRQLHOCKNJ-UHFFFAOYSA-N 1 2 194.238 0.097 20 0 ACADLO CC[C@H](O)C[N@H+](C)Cc1nccn1C 62255231 486766580 /nfs/dbraw/zinc/76/65/80/486766580.db2.gz HKGOVZLIXDUQAR-VIFPVBQESA-N 1 2 197.282 0.623 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/nfs/dbraw/zinc/78/96/56/486789656.db2.gz URCQQSYTDVFREW-UHFFFAOYSA-N 1 2 196.254 0.037 20 0 ACADLO Cn1ncnc1C[N@H+]1CCCOCC1 674250085 486789662 /nfs/dbraw/zinc/78/96/62/486789662.db2.gz URCQQSYTDVFREW-UHFFFAOYSA-N 1 2 196.254 0.037 20 0 ACADLO C[C@@H](c1ccccn1)[N@H+](C)CC(N)=O 674249190 486789695 /nfs/dbraw/zinc/78/96/95/486789695.db2.gz KDFCEZUCDDIMIY-QMMMGPOBSA-N 1 2 193.250 0.560 20 0 ACADLO C[C@@H](c1ccccn1)[N@@H+](C)CC(N)=O 674249190 486789700 /nfs/dbraw/zinc/78/97/00/486789700.db2.gz KDFCEZUCDDIMIY-QMMMGPOBSA-N 1 2 193.250 0.560 20 0 ACADLO C[C@H](c1ccccn1)[N@H+](C)CC(N)=O 674249141 486789765 /nfs/dbraw/zinc/78/97/65/486789765.db2.gz KDFCEZUCDDIMIY-MRVPVSSYSA-N 1 2 193.250 0.560 20 0 ACADLO C[C@H](c1ccccn1)[N@@H+](C)CC(N)=O 674249141 486789771 /nfs/dbraw/zinc/78/97/71/486789771.db2.gz KDFCEZUCDDIMIY-MRVPVSSYSA-N 1 2 193.250 0.560 20 0 ACADLO CC[N@H+](CCOC)Cc1ncnn1C 674249449 486790011 /nfs/dbraw/zinc/79/00/11/486790011.db2.gz VFPQMLSIWKNUOS-UHFFFAOYSA-N 1 2 198.270 0.283 20 0 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/nfs/dbraw/zinc/83/65/10/486836510.db2.gz UJSBVZBDPQCBMX-UHFFFAOYSA-N 1 2 193.250 0.799 20 0 ACADLO CNC(=O)C[N@H+](C)Cc1cccnc1 675528779 486842262 /nfs/dbraw/zinc/84/22/62/486842262.db2.gz ITWDHIACXAHSDR-UHFFFAOYSA-N 1 2 193.250 0.259 20 0 ACADLO CNC(=O)C[N@@H+](C)Cc1cccnc1 675528779 486842266 /nfs/dbraw/zinc/84/22/66/486842266.db2.gz ITWDHIACXAHSDR-UHFFFAOYSA-N 1 2 193.250 0.259 20 0 ACADLO Cc1nc(N(C)CCO)c(C)c(C)[nH+]1 675548082 486843368 /nfs/dbraw/zinc/84/33/68/486843368.db2.gz CPCSRKDRFVZQAC-UHFFFAOYSA-N 1 2 195.266 0.830 20 0 ACADLO C[N@@H+](Cc1nnc[nH]1)CC1CC1 675640150 486847159 /nfs/dbraw/zinc/84/71/59/486847159.db2.gz QJGMCUSOLUVTNI-UHFFFAOYSA-N 1 2 166.228 0.647 20 0 ACADLO C[N@H+](Cc1nnc[nH]1)CC1CC1 675640150 486847165 /nfs/dbraw/zinc/84/71/65/486847165.db2.gz QJGMCUSOLUVTNI-UHFFFAOYSA-N 1 2 166.228 0.647 20 0 ACADLO CCn1ncnc1C[N@H+](C)C[C@@H](C)O 83995519 486850982 /nfs/dbraw/zinc/85/09/82/486850982.db2.gz VNLKITUDRCOHIP-MRVPVSSYSA-N 1 2 198.270 0.111 20 0 ACADLO CCn1ncnc1C[N@@H+](C)C[C@@H](C)O 83995519 486850986 /nfs/dbraw/zinc/85/09/86/486850986.db2.gz VNLKITUDRCOHIP-MRVPVSSYSA-N 1 2 198.270 0.111 20 0 ACADLO CCNC(=O)NCc1c[nH+]c[nH]1 84081864 486853243 /nfs/dbraw/zinc/85/32/43/486853243.db2.gz AWWDNXFNGVXVDS-UHFFFAOYSA-N 1 2 168.200 0.229 20 0 ACADLO CCNC(=O)NCc1c[nH]c[nH+]1 84081864 486853247 /nfs/dbraw/zinc/85/32/47/486853247.db2.gz AWWDNXFNGVXVDS-UHFFFAOYSA-N 1 2 168.200 0.229 20 0 ACADLO CNC(=O)N(C)CCCn1cc[nH+]c1 676036136 486853587 /nfs/dbraw/zinc/85/35/87/486853587.db2.gz BRIPTKVQDIAPOE-UHFFFAOYSA-N 1 2 196.254 0.544 20 0 ACADLO COCC[N@H+](C)Cc1cc(C)n(C)n1 676038179 486853747 /nfs/dbraw/zinc/85/37/47/486853747.db2.gz OTLFFAZOCQGDFM-UHFFFAOYSA-N 1 2 197.282 0.807 20 0 ACADLO COCC[N@@H+](C)Cc1cc(C)n(C)n1 676038179 486853752 /nfs/dbraw/zinc/85/37/52/486853752.db2.gz OTLFFAZOCQGDFM-UHFFFAOYSA-N 1 2 197.282 0.807 20 0 ACADLO CC(C)NC(=O)NCc1c[nH+]c[nH]1 84081852 486854062 /nfs/dbraw/zinc/85/40/62/486854062.db2.gz MQSUYXFJNPBBIT-UHFFFAOYSA-N 1 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/nfs/dbraw/zinc/86/39/33/486863933.db2.gz ULLXLZYGYSYOKE-UHFFFAOYSA-N 1 2 193.250 0.307 20 0 ACADLO Cc1[nH]c(C(=O)N[C@@H](C)CCO)c[nH+]1 676539286 486864042 /nfs/dbraw/zinc/86/40/42/486864042.db2.gz HRIJCRUORUKZIP-LURJTMIESA-N 1 2 197.238 0.219 20 0 ACADLO Cc1ccncc1C[N@H+](C)CC(N)=O 676555637 486864174 /nfs/dbraw/zinc/86/41/74/486864174.db2.gz BXRMEJNJPOUTMB-UHFFFAOYSA-N 1 2 193.250 0.307 20 0 ACADLO Cc1ccncc1C[N@@H+](C)CC(N)=O 676555637 486864180 /nfs/dbraw/zinc/86/41/80/486864180.db2.gz BXRMEJNJPOUTMB-UHFFFAOYSA-N 1 2 193.250 0.307 20 0 ACADLO COCC(=O)Nc1cc(C)[nH+]cc1C 676587944 486865123 /nfs/dbraw/zinc/86/51/23/486865123.db2.gz KIYZNXOFLIUYCJ-UHFFFAOYSA-N 1 2 194.234 0.705 20 0 ACADLO CCn1c[nH+]cc1CN1CC(C)(O)C1 85192461 486865928 /nfs/dbraw/zinc/86/59/28/486865928.db2.gz RWJMGNVVFCLJLT-UHFFFAOYSA-N 1 2 195.266 0.470 20 0 ACADLO CCN(C)C(=O)N(C)Cc1[nH]cc[nH+]1 85968704 486871618 /nfs/dbraw/zinc/87/16/18/486871618.db2.gz RDJQRORNQYZCKJ-UHFFFAOYSA-N 1 2 196.254 0.913 20 0 ACADLO COC[C@H](C)[N@@H+]1CCc2cn[nH]c2C1 676797053 486870007 /nfs/dbraw/zinc/87/00/07/486870007.db2.gz OHRJQWCHWFZZSD-QMMMGPOBSA-N 1 2 195.266 0.803 20 0 ACADLO COC[C@H](C)[N@H+]1CCc2cn[nH]c2C1 676797053 486870013 /nfs/dbraw/zinc/87/00/13/486870013.db2.gz OHRJQWCHWFZZSD-QMMMGPOBSA-N 1 2 195.266 0.803 20 0 ACADLO CCOCC[N@@H+]1CCc2cn[nH]c2C1 676791799 486870232 /nfs/dbraw/zinc/87/02/32/486870232.db2.gz CIEZMCLJXASYNQ-UHFFFAOYSA-N 1 2 195.266 0.804 20 0 ACADLO CCOCC[N@H+]1CCc2cn[nH]c2C1 676791799 486870236 /nfs/dbraw/zinc/87/02/36/486870236.db2.gz CIEZMCLJXASYNQ-UHFFFAOYSA-N 1 2 195.266 0.804 20 0 ACADLO CCOCC[N@@H+]1CCc2c[nH]nc2C1 676791799 486870243 /nfs/dbraw/zinc/87/02/43/486870243.db2.gz CIEZMCLJXASYNQ-UHFFFAOYSA-N 1 2 195.266 0.804 20 0 ACADLO CCOCC[N@H+]1CCc2c[nH]nc2C1 676791799 486870249 /nfs/dbraw/zinc/87/02/49/486870249.db2.gz CIEZMCLJXASYNQ-UHFFFAOYSA-N 1 2 195.266 0.804 20 0 ACADLO CC[C@H](O)C[N@@H+]1CCc2cn[nH]c2C1 676795382 486870412 /nfs/dbraw/zinc/87/04/12/486870412.db2.gz JFIGZTNBVJPSAY-VIFPVBQESA-N 1 2 195.266 0.539 20 0 ACADLO CC[C@H](O)C[N@H+]1CCc2cn[nH]c2C1 676795382 486870420 /nfs/dbraw/zinc/87/04/20/486870420.db2.gz JFIGZTNBVJPSAY-VIFPVBQESA-N 1 2 195.266 0.539 20 0 ACADLO CCN(CC)C(=O)NCc1c[nH+]c[nH]1 85959344 486870499 /nfs/dbraw/zinc/87/04/99/486870499.db2.gz XENGLPHUCUKGFS-UHFFFAOYSA-N 1 2 196.254 0.961 20 0 ACADLO CCN(CC)C(=O)NCc1c[nH]c[nH+]1 85959344 486870503 /nfs/dbraw/zinc/87/05/03/486870503.db2.gz XENGLPHUCUKGFS-UHFFFAOYSA-N 1 2 196.254 0.961 20 0 ACADLO COC[C@@H](C)[N@@H+]1CCc2cn[nH]c2C1 676797052 486870593 /nfs/dbraw/zinc/87/05/93/486870593.db2.gz OHRJQWCHWFZZSD-MRVPVSSYSA-N 1 2 195.266 0.803 20 0 ACADLO COC[C@@H](C)[N@H+]1CCc2cn[nH]c2C1 676797052 486870594 /nfs/dbraw/zinc/87/05/94/486870594.db2.gz OHRJQWCHWFZZSD-MRVPVSSYSA-N 1 2 195.266 0.803 20 0 ACADLO OCCCC[N@@H+]1CCc2cn[nH]c2C1 676797764 486870726 /nfs/dbraw/zinc/87/07/26/486870726.db2.gz NBIVKEUPTZDTCO-UHFFFAOYSA-N 1 2 195.266 0.540 20 0 ACADLO OCCCC[N@H+]1CCc2cn[nH]c2C1 676797764 486870727 /nfs/dbraw/zinc/87/07/27/486870727.db2.gz NBIVKEUPTZDTCO-UHFFFAOYSA-N 1 2 195.266 0.540 20 0 ACADLO CC[C@@H](O)C[N@@H+]1CCc2cn[nH]c2C1 676792472 486870759 /nfs/dbraw/zinc/87/07/59/486870759.db2.gz JFIGZTNBVJPSAY-SECBINFHSA-N 1 2 195.266 0.539 20 0 ACADLO CC[C@@H](O)C[N@H+]1CCc2cn[nH]c2C1 676792472 486870760 /nfs/dbraw/zinc/87/07/60/486870760.db2.gz JFIGZTNBVJPSAY-SECBINFHSA-N 1 2 195.266 0.539 20 0 ACADLO CCN(C)C(=O)NCc1[nH]cc[nH+]1 85968739 486871525 /nfs/dbraw/zinc/87/15/25/486871525.db2.gz IBQZMTRBWRBDSV-UHFFFAOYSA-N 1 2 182.227 0.571 20 0 ACADLO CCN(C)C(=O)NCc1c[nH+]c[nH]1 85968777 486871598 /nfs/dbraw/zinc/87/15/98/486871598.db2.gz HOGHFCDRLKMISG-UHFFFAOYSA-N 1 2 182.227 0.571 20 0 ACADLO CCN(C)C(=O)NCc1c[nH]c[nH+]1 85968777 486871603 /nfs/dbraw/zinc/87/16/03/486871603.db2.gz HOGHFCDRLKMISG-UHFFFAOYSA-N 1 2 182.227 0.571 20 0 ACADLO CC[N@@H+]1CCC[C@@H](c2n[nH]c(=O)[nH]2)C1 676989618 486874615 /nfs/dbraw/zinc/87/46/15/486874615.db2.gz CRLFJIBAWPHZRN-SSDOTTSWSA-N 1 2 196.254 0.710 20 0 ACADLO CC[N@H+]1CCC[C@@H](c2n[nH]c(=O)[nH]2)C1 676989618 486874621 /nfs/dbraw/zinc/87/46/21/486874621.db2.gz CRLFJIBAWPHZRN-SSDOTTSWSA-N 1 2 196.254 0.710 20 0 ACADLO CC[N@@H+]1CCC[C@H](c2n[nH]c(=O)[nH]2)C1 676989619 486874650 /nfs/dbraw/zinc/87/46/50/486874650.db2.gz CRLFJIBAWPHZRN-ZETCQYMHSA-N 1 2 196.254 0.710 20 0 ACADLO CC[N@H+]1CCC[C@H](c2n[nH]c(=O)[nH]2)C1 676989619 486874653 /nfs/dbraw/zinc/87/46/53/486874653.db2.gz CRLFJIBAWPHZRN-ZETCQYMHSA-N 1 2 196.254 0.710 20 0 ACADLO Cc1[nH]c(C(=O)N[C@H]2CCOC2)c[nH+]1 677007216 486874998 /nfs/dbraw/zinc/87/49/98/486874998.db2.gz WUJNQPQWUNSAMK-ZETCQYMHSA-N 1 2 195.222 0.237 20 0 ACADLO Cc1[nH]c(C(=O)NCC[C@H](C)O)c[nH+]1 677293575 486882795 /nfs/dbraw/zinc/88/27/95/486882795.db2.gz PSXHENRZKCLAIV-LURJTMIESA-N 1 2 197.238 0.219 20 0 ACADLO Cc1[nH]c(C(=O)NC[C@@H](C)CO)c[nH+]1 677293624 486882914 /nfs/dbraw/zinc/88/29/14/486882914.db2.gz SRMNAJPPHMNPBL-ZCFIWIBFSA-N 1 2 197.238 0.076 20 0 ACADLO Cc1[nH]c(C(=O)NC[C@H](C)CO)c[nH+]1 677293619 486883187 /nfs/dbraw/zinc/88/31/87/486883187.db2.gz SRMNAJPPHMNPBL-LURJTMIESA-N 1 2 197.238 0.076 20 0 ACADLO CCNC(=O)CN(C)c1cccc[nH+]1 677418275 486886167 /nfs/dbraw/zinc/88/61/67/486886167.db2.gz IFIVNQIEUUFGKG-UHFFFAOYSA-N 1 2 193.250 0.654 20 0 ACADLO CC1=CC[N@H+](Cc2nnnn2C)CC1 677380293 486886190 /nfs/dbraw/zinc/88/61/90/486886190.db2.gz XAWHSXIRWIMJGR-UHFFFAOYSA-N 1 2 193.254 0.362 20 0 ACADLO CC1=CC[N@@H+](Cc2nnnn2C)CC1 677380293 486886194 /nfs/dbraw/zinc/88/61/94/486886194.db2.gz XAWHSXIRWIMJGR-UHFFFAOYSA-N 1 2 193.254 0.362 20 0 ACADLO CC1=CC[N@H+](Cc2nncn2C)CC1 677380342 486886342 /nfs/dbraw/zinc/88/63/42/486886342.db2.gz YJRWVZVUTNCGNU-UHFFFAOYSA-N 1 2 192.266 0.967 20 0 ACADLO CC1=CC[N@@H+](Cc2nncn2C)CC1 677380342 486886346 /nfs/dbraw/zinc/88/63/46/486886346.db2.gz YJRWVZVUTNCGNU-UHFFFAOYSA-N 1 2 192.266 0.967 20 0 ACADLO O=C(NCc1c[nH+]c[nH]1)c1cnco1 677553873 486888796 /nfs/dbraw/zinc/88/87/96/486888796.db2.gz KNDWBGNJXXWRMY-UHFFFAOYSA-N 1 2 192.178 0.328 20 0 ACADLO O=C(NCc1c[nH]c[nH+]1)c1cnco1 677553873 486888800 /nfs/dbraw/zinc/88/88/00/486888800.db2.gz KNDWBGNJXXWRMY-UHFFFAOYSA-N 1 2 192.178 0.328 20 0 ACADLO O=C(NCc1[nH]cc[nH+]1)c1cnco1 677548580 486888853 /nfs/dbraw/zinc/88/88/53/486888853.db2.gz PZHUJCQYDCYURL-UHFFFAOYSA-N 1 2 192.178 0.328 20 0 ACADLO O=C(COCc1[nH]cc[nH+]1)NC1CC1 677646027 486891235 /nfs/dbraw/zinc/89/12/35/486891235.db2.gz RNNBLLMAQZSTTD-UHFFFAOYSA-N 1 2 195.222 0.205 20 0 ACADLO CC1(O)C[NH+](Cc2cccc(O)c2)C1 87182665 486891355 /nfs/dbraw/zinc/89/13/55/486891355.db2.gz JSZOMZGRJWJKJW-UHFFFAOYSA-N 1 2 193.246 0.959 20 0 ACADLO CCCNC(=O)COCc1[nH]cc[nH+]1 677646313 486891576 /nfs/dbraw/zinc/89/15/76/486891576.db2.gz XKZGAHDQLCGLSE-UHFFFAOYSA-N 1 2 197.238 0.453 20 0 ACADLO CC(C)NC(=O)COCc1[nH]cc[nH+]1 677645524 486891615 /nfs/dbraw/zinc/89/16/15/486891615.db2.gz DWRQQENFSOKFOK-UHFFFAOYSA-N 1 2 197.238 0.451 20 0 ACADLO C[C@@H](O)C[N@H+](C)Cc1nccs1 87396326 486895020 /nfs/dbraw/zinc/89/50/20/486895020.db2.gz LRKNXJFVWTZCEL-SSDOTTSWSA-N 1 2 186.280 0.956 20 0 ACADLO C[C@@H](O)C[N@@H+](C)Cc1nccs1 87396326 486895025 /nfs/dbraw/zinc/89/50/25/486895025.db2.gz LRKNXJFVWTZCEL-SSDOTTSWSA-N 1 2 186.280 0.956 20 0 ACADLO C[C@H](O)C[N@@H+](C)Cc1nccs1 87396325 486895725 /nfs/dbraw/zinc/89/57/25/486895725.db2.gz LRKNXJFVWTZCEL-ZETCQYMHSA-N 1 2 186.280 0.956 20 0 ACADLO C[C@H](O)C[N@H+](C)Cc1nccs1 87396325 486895721 /nfs/dbraw/zinc/89/57/21/486895721.db2.gz LRKNXJFVWTZCEL-ZETCQYMHSA-N 1 2 186.280 0.956 20 0 ACADLO Cc1cn(Cc2c[nH+]cn2C)nn1 87453508 486896801 /nfs/dbraw/zinc/89/68/01/486896801.db2.gz ILVQBQWWXAGDOD-UHFFFAOYSA-N 1 2 177.211 0.368 20 0 ACADLO COC[C@@H](C)[N@H+](C)Cc1cn(C)nn1 677761427 486896978 /nfs/dbraw/zinc/89/69/78/486896978.db2.gz YZXOZTDIKRKUAW-MRVPVSSYSA-N 1 2 198.270 0.282 20 0 ACADLO COC[C@@H](C)[N@@H+](C)Cc1cn(C)nn1 677761427 486896983 /nfs/dbraw/zinc/89/69/83/486896983.db2.gz YZXOZTDIKRKUAW-MRVPVSSYSA-N 1 2 198.270 0.282 20 0 ACADLO CO[C@H]1CC[N@H+](Cc2cn(C)nn2)C1 677761872 486897058 /nfs/dbraw/zinc/89/70/58/486897058.db2.gz BMQSNEBZHZKITP-VIFPVBQESA-N 1 2 196.254 0.036 20 0 ACADLO CO[C@H]1CC[N@@H+](Cc2cn(C)nn2)C1 677761872 486897062 /nfs/dbraw/zinc/89/70/62/486897062.db2.gz BMQSNEBZHZKITP-VIFPVBQESA-N 1 2 196.254 0.036 20 0 ACADLO COC[C@H](C)[N@H+](C)Cc1cn(C)nn1 677761428 486897167 /nfs/dbraw/zinc/89/71/67/486897167.db2.gz YZXOZTDIKRKUAW-QMMMGPOBSA-N 1 2 198.270 0.282 20 0 ACADLO COC[C@H](C)[N@@H+](C)Cc1cn(C)nn1 677761428 486897170 /nfs/dbraw/zinc/89/71/70/486897170.db2.gz YZXOZTDIKRKUAW-QMMMGPOBSA-N 1 2 198.270 0.282 20 0 ACADLO CC[N@H+](CCOC)Cc1cn(C)nn1 677761603 486897476 /nfs/dbraw/zinc/89/74/76/486897476.db2.gz QJLBINQBLJBSTP-UHFFFAOYSA-N 1 2 198.270 0.283 20 0 ACADLO CC[N@@H+](CCOC)Cc1cn(C)nn1 677761603 486897481 /nfs/dbraw/zinc/89/74/81/486897481.db2.gz QJLBINQBLJBSTP-UHFFFAOYSA-N 1 2 198.270 0.283 20 0 ACADLO Cn1cc(C[N@@H+]2CCCOCC2)nn1 677761033 486897648 /nfs/dbraw/zinc/89/76/48/486897648.db2.gz HTGGIGQBOQMJSR-UHFFFAOYSA-N 1 2 196.254 0.037 20 0 ACADLO Cn1cc(C[N@H+]2CCCOCC2)nn1 677761033 486897655 /nfs/dbraw/zinc/89/76/55/486897655.db2.gz HTGGIGQBOQMJSR-UHFFFAOYSA-N 1 2 196.254 0.037 20 0 ACADLO CC[C@H](C(N)=O)N(C)Cc1[nH]cc[nH+]1 677801576 486898292 /nfs/dbraw/zinc/89/82/92/486898292.db2.gz FCUGTWHNDYWVEQ-SSDOTTSWSA-N 1 2 196.254 0.105 20 0 ACADLO CCOCC[N@H+](C)Cc1ncc[nH]1 677801471 486898395 /nfs/dbraw/zinc/89/83/95/486898395.db2.gz BCSIDBCESXECQQ-UHFFFAOYSA-N 1 2 183.255 0.878 20 0 ACADLO CCOCC[N@@H+](C)Cc1ncc[nH]1 677801471 486898399 /nfs/dbraw/zinc/89/83/99/486898399.db2.gz BCSIDBCESXECQQ-UHFFFAOYSA-N 1 2 183.255 0.878 20 0 ACADLO Cc1noc(OCCn2cc[nH+]c2)n1 677795598 486898627 /nfs/dbraw/zinc/89/86/27/486898627.db2.gz UKZJQMNARFXGDE-UHFFFAOYSA-N 1 2 194.194 0.654 20 0 ACADLO Cn1cc(C[N@H+](C)[C@@H]2CCOC2)nn1 677762656 486898747 /nfs/dbraw/zinc/89/87/47/486898747.db2.gz OPUWKGNDMCHNME-SECBINFHSA-N 1 2 196.254 0.036 20 0 ACADLO Cn1cc(C[N@@H+](C)[C@@H]2CCOC2)nn1 677762656 486898750 /nfs/dbraw/zinc/89/87/50/486898750.db2.gz OPUWKGNDMCHNME-SECBINFHSA-N 1 2 196.254 0.036 20 0 ACADLO CC[C@@H](C(N)=O)N(C)Cc1[nH]cc[nH+]1 677801577 486898864 /nfs/dbraw/zinc/89/88/64/486898864.db2.gz FCUGTWHNDYWVEQ-ZETCQYMHSA-N 1 2 196.254 0.105 20 0 ACADLO Cn1cc(C[N@H+](C)[C@H]2CCOC2)nn1 677762657 486899147 /nfs/dbraw/zinc/89/91/47/486899147.db2.gz OPUWKGNDMCHNME-VIFPVBQESA-N 1 2 196.254 0.036 20 0 ACADLO Cn1cc(C[N@@H+](C)[C@H]2CCOC2)nn1 677762657 486899151 /nfs/dbraw/zinc/89/91/51/486899151.db2.gz OPUWKGNDMCHNME-VIFPVBQESA-N 1 2 196.254 0.036 20 0 ACADLO c1cc(C[NH2+][C@@H]2C[C@H]3CC[C@@H]2O3)[nH]n1 87689745 486900728 /nfs/dbraw/zinc/90/07/28/486900728.db2.gz YFGJRUXWMRWHRP-BBBLOLIVSA-N 1 2 193.250 0.819 20 0 ACADLO c1snnc1C[NH2+][C@@H]1CCOC1 87784687 486902446 /nfs/dbraw/zinc/90/24/46/486902446.db2.gz RKTNNNBQLZAVNA-ZCFIWIBFSA-N 1 2 185.252 0.417 20 0 ACADLO Cc1nc(N[C@@H]2CCOC2)cc[nH+]1 87787838 486903495 /nfs/dbraw/zinc/90/34/95/486903495.db2.gz DMWJNUSKKGTKSM-MRVPVSSYSA-N 1 2 179.223 0.986 20 0 ACADLO Cc1cc(N[C@@H]2CCOC2)nc[nH+]1 87787924 486904002 /nfs/dbraw/zinc/90/40/02/486904002.db2.gz JTWNBYNNZTYLON-MRVPVSSYSA-N 1 2 179.223 0.986 20 0 ACADLO CCNc1cc(NC[C@@H](C)O)nc[nH+]1 87811105 486904540 /nfs/dbraw/zinc/90/45/40/486904540.db2.gz IJNHNJHLAIMNHB-SSDOTTSWSA-N 1 2 196.254 0.701 20 0 ACADLO CCNc1cc(NC[C@@H](C)O)[nH+]cn1 87811105 486904546 /nfs/dbraw/zinc/90/45/46/486904546.db2.gz IJNHNJHLAIMNHB-SSDOTTSWSA-N 1 2 196.254 0.701 20 0 ACADLO CCNc1cc(NC[C@H](C)O)nc[nH+]1 87811107 486904913 /nfs/dbraw/zinc/90/49/13/486904913.db2.gz IJNHNJHLAIMNHB-ZETCQYMHSA-N 1 2 196.254 0.701 20 0 ACADLO CCNc1cc(NC[C@H](C)O)[nH+]cn1 87811107 486904916 /nfs/dbraw/zinc/90/49/16/486904916.db2.gz IJNHNJHLAIMNHB-ZETCQYMHSA-N 1 2 196.254 0.701 20 0 ACADLO CCc1noc([C@H](C)[N@H+](C)CCO)n1 677882008 486905100 /nfs/dbraw/zinc/90/51/00/486905100.db2.gz AEVOTOKMESXRDW-ZETCQYMHSA-N 1 2 199.254 0.617 20 0 ACADLO CCc1noc([C@H](C)[N@@H+](C)CCO)n1 677882008 486905103 /nfs/dbraw/zinc/90/51/03/486905103.db2.gz AEVOTOKMESXRDW-ZETCQYMHSA-N 1 2 199.254 0.617 20 0 ACADLO CCc1nnc([C@@H](C)[N@H+](C)CCO)o1 677882745 486905174 /nfs/dbraw/zinc/90/51/74/486905174.db2.gz IMDOJXRYRVEHCK-SSDOTTSWSA-N 1 2 199.254 0.617 20 0 ACADLO CCc1nnc([C@@H](C)[N@@H+](C)CCO)o1 677882745 486905177 /nfs/dbraw/zinc/90/51/77/486905177.db2.gz IMDOJXRYRVEHCK-SSDOTTSWSA-N 1 2 199.254 0.617 20 0 ACADLO CCc1noc([C@@H](C)[N@H+](C)CCO)n1 677882007 486905332 /nfs/dbraw/zinc/90/53/32/486905332.db2.gz AEVOTOKMESXRDW-SSDOTTSWSA-N 1 2 199.254 0.617 20 0 ACADLO CCc1noc([C@@H](C)[N@@H+](C)CCO)n1 677882007 486905334 /nfs/dbraw/zinc/90/53/34/486905334.db2.gz AEVOTOKMESXRDW-SSDOTTSWSA-N 1 2 199.254 0.617 20 0 ACADLO CCc1nnc([C@H](C)[N@H+](C)CCO)o1 677882746 486905651 /nfs/dbraw/zinc/90/56/51/486905651.db2.gz IMDOJXRYRVEHCK-ZETCQYMHSA-N 1 2 199.254 0.617 20 0 ACADLO CCc1nnc([C@H](C)[N@@H+](C)CCO)o1 677882746 486905654 /nfs/dbraw/zinc/90/56/54/486905654.db2.gz IMDOJXRYRVEHCK-ZETCQYMHSA-N 1 2 199.254 0.617 20 0 ACADLO FCC[NH2+]Cc1ccon1 88053502 486909234 /nfs/dbraw/zinc/90/92/34/486909234.db2.gz VWVCZTSMTXRHHI-UHFFFAOYSA-N 1 2 144.149 0.734 20 0 ACADLO O=C(C[NH2+]Cc1ccon1)NC1CC1 88053812 486909249 /nfs/dbraw/zinc/90/92/49/486909249.db2.gz CYKGLJZBLCHIGV-UHFFFAOYSA-N 1 2 195.222 0.043 20 0 ACADLO CCNC(=O)[C@@H](C)[NH2+]Cc1ccon1 88053725 486909335 /nfs/dbraw/zinc/90/93/35/486909335.db2.gz MKWXGJZFDOSWPA-SSDOTTSWSA-N 1 2 197.238 0.289 20 0 ACADLO CC(C)NC(=O)C[NH2+]Cc1ccon1 88053977 486909567 /nfs/dbraw/zinc/90/95/67/486909567.db2.gz BRSSMKWVPGNKKR-UHFFFAOYSA-N 1 2 197.238 0.289 20 0 ACADLO COc1c(N2CCCC2)nc[nH+]c1N 88077739 486909803 /nfs/dbraw/zinc/90/98/03/486909803.db2.gz RPCGJMCFYZQWEO-UHFFFAOYSA-N 1 2 194.238 0.668 20 0 ACADLO COc1c(N)nc[nH+]c1N1CCCC1 88077739 486909812 /nfs/dbraw/zinc/90/98/12/486909812.db2.gz RPCGJMCFYZQWEO-UHFFFAOYSA-N 1 2 194.238 0.668 20 0 ACADLO CCN(C)C(=O)C[NH2+]Cc1ccon1 88053282 486910012 /nfs/dbraw/zinc/91/00/12/486910012.db2.gz GSWMHBOZXMJXMN-UHFFFAOYSA-N 1 2 197.238 0.243 20 0 ACADLO C[C@H]([NH2+]Cc1ccon1)C(=O)N(C)C 88053215 486910025 /nfs/dbraw/zinc/91/00/25/486910025.db2.gz XNAYZMKWEJPVER-ZETCQYMHSA-N 1 2 197.238 0.241 20 0 ACADLO C[C@@H]([NH2+]Cc1ccon1)C(=O)N(C)C 88053217 486910056 /nfs/dbraw/zinc/91/00/56/486910056.db2.gz XNAYZMKWEJPVER-SSDOTTSWSA-N 1 2 197.238 0.241 20 0 ACADLO CCNC(=O)[C@H](C)[NH2+]Cc1ccon1 88053727 486910110 /nfs/dbraw/zinc/91/01/10/486910110.db2.gz MKWXGJZFDOSWPA-ZETCQYMHSA-N 1 2 197.238 0.289 20 0 ACADLO NNc1[nH+]ccc2nc[nH]c12 89203001 486911994 /nfs/dbraw/zinc/91/19/94/486911994.db2.gz IORSRIDKDQATBU-UHFFFAOYSA-N 1 2 149.157 0.244 20 0 ACADLO Cc1cc(N)nc(SCCO)[nH+]1 96775169 486914059 /nfs/dbraw/zinc/91/40/59/486914059.db2.gz PLSCOPDACPNGCZ-UHFFFAOYSA-N 1 2 185.252 0.452 20 0 ACADLO CC(C)[N@H+](CC(N)=O)Cc1cn[nH]c1 678122622 486918534 /nfs/dbraw/zinc/91/85/34/486918534.db2.gz ASUYBTPBXKUZPQ-UHFFFAOYSA-N 1 2 196.254 0.105 20 0 ACADLO CC(C)[N@@H+](CC(N)=O)Cc1cn[nH]c1 678122622 486918537 /nfs/dbraw/zinc/91/85/37/486918537.db2.gz ASUYBTPBXKUZPQ-UHFFFAOYSA-N 1 2 196.254 0.105 20 0 ACADLO COCC[N@H+](C)Cc1ccn(C)n1 678132422 486918603 /nfs/dbraw/zinc/91/86/03/486918603.db2.gz FYMNCBCILVJHSB-UHFFFAOYSA-N 1 2 183.255 0.498 20 0 ACADLO COCC[N@@H+](C)Cc1ccn(C)n1 678132422 486918606 /nfs/dbraw/zinc/91/86/06/486918606.db2.gz FYMNCBCILVJHSB-UHFFFAOYSA-N 1 2 183.255 0.498 20 0 ACADLO Cc1[nH]ncc1C[N@@H+](CCO)C(C)C 678122933 486918679 /nfs/dbraw/zinc/91/86/79/486918679.db2.gz LAKJFWLNYMFJQD-UHFFFAOYSA-N 1 2 197.282 0.921 20 0 ACADLO Cc1[nH]ncc1C[N@H+](CCO)C(C)C 678122933 486918684 /nfs/dbraw/zinc/91/86/84/486918684.db2.gz LAKJFWLNYMFJQD-UHFFFAOYSA-N 1 2 197.282 0.921 20 0 ACADLO Cc1[nH]ncc1C[NH+]1CCC(O)CC1 678124012 486918756 /nfs/dbraw/zinc/91/87/56/486918756.db2.gz PTTCRRBVXMAMBR-UHFFFAOYSA-N 1 2 195.266 0.675 20 0 ACADLO CCC[N@H+](CCO)Cc1cn[nH]c1C 678122696 486918822 /nfs/dbraw/zinc/91/88/22/486918822.db2.gz FRJGCTIWTTXVQA-UHFFFAOYSA-N 1 2 197.282 0.922 20 0 ACADLO CCC[N@@H+](CCO)Cc1cn[nH]c1C 678122696 486918825 /nfs/dbraw/zinc/91/88/25/486918825.db2.gz FRJGCTIWTTXVQA-UHFFFAOYSA-N 1 2 197.282 0.922 20 0 ACADLO CC(C)CCN1C(=O)C[C@H]([NH3+])C1=O 104663172 486919260 /nfs/dbraw/zinc/91/92/60/486919260.db2.gz NCSWVRFCJIJKGK-ZETCQYMHSA-N 1 2 184.239 0.119 20 0 ACADLO CCc1ccc(C[N@H+](C)CC(N)=O)o1 678132505 486919281 /nfs/dbraw/zinc/91/92/81/486919281.db2.gz HXXATSARACZWBW-UHFFFAOYSA-N 1 2 196.250 0.759 20 0 ACADLO CCc1ccc(C[N@@H+](C)CC(N)=O)o1 678132505 486919283 /nfs/dbraw/zinc/91/92/83/486919283.db2.gz HXXATSARACZWBW-UHFFFAOYSA-N 1 2 196.250 0.759 20 0 ACADLO Cc1ncccc1C[N@H+](C)CC(N)=O 678133292 486920434 /nfs/dbraw/zinc/92/04/34/486920434.db2.gz YLOFFRHSMVPLSI-UHFFFAOYSA-N 1 2 193.250 0.307 20 0 ACADLO Cc1ncccc1C[N@@H+](C)CC(N)=O 678133292 486920437 /nfs/dbraw/zinc/92/04/37/486920437.db2.gz YLOFFRHSMVPLSI-UHFFFAOYSA-N 1 2 193.250 0.307 20 0 ACADLO Cc1[nH]ncc1C[N@H+](CCO)C1CC1 678139855 486921420 /nfs/dbraw/zinc/92/14/20/486921420.db2.gz AYCAOIJPXNSTBA-UHFFFAOYSA-N 1 2 195.266 0.675 20 0 ACADLO Cc1[nH]ncc1C[N@@H+](CCO)C1CC1 678139855 486921424 /nfs/dbraw/zinc/92/14/24/486921424.db2.gz AYCAOIJPXNSTBA-UHFFFAOYSA-N 1 2 195.266 0.675 20 0 ACADLO CN(Cc1ncc[nH]1)Cc1[nH]cc[nH+]1 113456843 486924031 /nfs/dbraw/zinc/92/40/31/486924031.db2.gz AYLWVHOTEDJAAH-UHFFFAOYSA-N 1 2 191.238 0.765 20 0 ACADLO Cn1nncc1C[N@@H+]1CCCOCC1 678183719 486925013 /nfs/dbraw/zinc/92/50/13/486925013.db2.gz FGFDIEAXJZBOCW-UHFFFAOYSA-N 1 2 196.254 0.037 20 0 ACADLO Cn1nncc1C[N@H+]1CCCOCC1 678183719 486925019 /nfs/dbraw/zinc/92/50/19/486925019.db2.gz FGFDIEAXJZBOCW-UHFFFAOYSA-N 1 2 196.254 0.037 20 0 ACADLO CC1CC[NH+](Cc2n[nH]c(=O)[nH]2)CC1 678219554 486926590 /nfs/dbraw/zinc/92/65/90/486926590.db2.gz VFECJYPFHIZYOK-UHFFFAOYSA-N 1 2 196.254 0.742 20 0 ACADLO C[C@@H](C1CC1)[N@H+](C)Cc1n[nH]c(=O)[nH]1 678219742 486926705 /nfs/dbraw/zinc/92/67/05/486926705.db2.gz VWZKIYVSKDQYMX-LURJTMIESA-N 1 2 196.254 0.741 20 0 ACADLO C[C@@H](C1CC1)[N@@H+](C)Cc1n[nH]c(=O)[nH]1 678219742 486926709 /nfs/dbraw/zinc/92/67/09/486926709.db2.gz VWZKIYVSKDQYMX-LURJTMIESA-N 1 2 196.254 0.741 20 0 ACADLO Cc1[nH]ncc1C[N@@H+]1CC[C@H](CO)C1 678225672 486926952 /nfs/dbraw/zinc/92/69/52/486926952.db2.gz QEQBSAATIVQRDY-VIFPVBQESA-N 1 2 195.266 0.532 20 0 ACADLO Cc1[nH]ncc1C[N@H+]1CC[C@H](CO)C1 678225672 486926958 /nfs/dbraw/zinc/92/69/58/486926958.db2.gz QEQBSAATIVQRDY-VIFPVBQESA-N 1 2 195.266 0.532 20 0 ACADLO C[C@H]1CCC[N@H+](Cc2n[nH]c(=O)[nH]2)C1 678219102 486927111 /nfs/dbraw/zinc/92/71/11/486927111.db2.gz KIDPGDCFYZIUHW-ZETCQYMHSA-N 1 2 196.254 0.742 20 0 ACADLO C[C@H]1CCC[N@@H+](Cc2n[nH]c(=O)[nH]2)C1 678219102 486927117 /nfs/dbraw/zinc/92/71/17/486927117.db2.gz KIDPGDCFYZIUHW-ZETCQYMHSA-N 1 2 196.254 0.742 20 0 ACADLO Cc1[nH]ncc1C[N@@H+]1CC[C@@H](CO)C1 678225671 486927214 /nfs/dbraw/zinc/92/72/14/486927214.db2.gz QEQBSAATIVQRDY-SECBINFHSA-N 1 2 195.266 0.532 20 0 ACADLO Cc1[nH]ncc1C[N@H+]1CC[C@@H](CO)C1 678225671 486927217 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/nfs/dbraw/zinc/97/47/22/486974722.db2.gz LWPCTKOTGDVEMJ-QMMMGPOBSA-N 1 2 195.266 0.803 20 0 ACADLO CO[C@@H](C)C[N@H+]1CCc2cn[nH]c2C1 679854908 486974728 /nfs/dbraw/zinc/97/47/28/486974728.db2.gz LWPCTKOTGDVEMJ-QMMMGPOBSA-N 1 2 195.266 0.803 20 0 ACADLO CO[C@@H](C)C[N@H+](C)Cc1nnc(C)[nH]1 679854349 486974878 /nfs/dbraw/zinc/97/48/78/486974878.db2.gz WRYPUTNXRIMVJX-ZETCQYMHSA-N 1 2 198.270 0.580 20 0 ACADLO CO[C@@H](C)C[N@@H+](C)Cc1nnc(C)[nH]1 679854349 486974882 /nfs/dbraw/zinc/97/48/82/486974882.db2.gz WRYPUTNXRIMVJX-ZETCQYMHSA-N 1 2 198.270 0.580 20 0 ACADLO CNC(=O)C[N@H+](C)Cc1ccncc1 679881664 486975404 /nfs/dbraw/zinc/97/54/04/486975404.db2.gz APLORSOPICOJEN-UHFFFAOYSA-N 1 2 193.250 0.259 20 0 ACADLO CNC(=O)C[N@@H+](C)Cc1ccncc1 679881664 486975409 /nfs/dbraw/zinc/97/54/09/486975409.db2.gz APLORSOPICOJEN-UHFFFAOYSA-N 1 2 193.250 0.259 20 0 ACADLO CO[C@@H](C)C(=O)Nc1ccc(N)[nH+]c1 160928871 486978886 /nfs/dbraw/zinc/97/88/86/486978886.db2.gz LHMSWEUKECOIIS-LURJTMIESA-N 1 2 195.222 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/nfs/dbraw/zinc/98/44/06/486984406.db2.gz NJRZEYIVWGHGLD-RKDXNWHRSA-N 1 2 194.234 0.014 20 0 ACADLO OC[C@@H]1C[C@H](O)CN1c1cccc[nH+]1 680375038 486984506 /nfs/dbraw/zinc/98/45/06/486984506.db2.gz NJRZEYIVWGHGLD-IUCAKERBSA-N 1 2 194.234 0.014 20 0 ACADLO OC[C@@H]1C[C@@H](O)CN1c1cccc[nH+]1 680375037 486984514 /nfs/dbraw/zinc/98/45/14/486984514.db2.gz NJRZEYIVWGHGLD-DTWKUNHWSA-N 1 2 194.234 0.014 20 0 ACADLO CCc1[nH+]ccn1Cc1n[nH]c(=O)[nH]1 680501868 486986969 /nfs/dbraw/zinc/98/69/69/486986969.db2.gz VZSCMGNEQLUJOE-UHFFFAOYSA-N 1 2 193.210 0.318 20 0 ACADLO Cc1cc(N(C)C2CC(O)C2)nc[nH+]1 680530297 486987803 /nfs/dbraw/zinc/98/78/03/486987803.db2.gz RQUZJWKALPPKRK-UHFFFAOYSA-N 1 2 193.250 0.745 20 0 ACADLO Cc1nc(N(C)C2CC(O)C2)cc[nH+]1 680529917 486987843 /nfs/dbraw/zinc/98/78/43/486987843.db2.gz BFPICMJUKPPJIH-UHFFFAOYSA-N 1 2 193.250 0.745 20 0 ACADLO Cc1noc(C[N@@H+](C)C2CC(O)C2)n1 680581544 486988427 /nfs/dbraw/zinc/98/84/27/486988427.db2.gz XAIFADFWLXRACH-UHFFFAOYSA-N 1 2 197.238 0.333 20 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/nfs/dbraw/zinc/01/86/51/487018651.db2.gz SGLAJUUIWVALJH-ZETCQYMHSA-N 1 2 145.177 0.619 20 0 ACADLO CC(=O)C[N@@H+]1CC[C@@H](F)C1 202717197 487018706 /nfs/dbraw/zinc/01/87/06/487018706.db2.gz SGLAJUUIWVALJH-SSDOTTSWSA-N 1 2 145.177 0.619 20 0 ACADLO CC(=O)C[N@H+]1CC[C@@H](F)C1 202717197 487018707 /nfs/dbraw/zinc/01/87/07/487018707.db2.gz SGLAJUUIWVALJH-SSDOTTSWSA-N 1 2 145.177 0.619 20 0 ACADLO c1ccn2cc(Cn3ccnn3)[nH+]c2c1 681359760 487018894 /nfs/dbraw/zinc/01/88/94/487018894.db2.gz QQDXRPRDPMXNKZ-UHFFFAOYSA-N 1 2 199.217 0.974 20 0 ACADLO FC(F)n1cc[nH+]c1Cn1ccnn1 681359444 487018960 /nfs/dbraw/zinc/01/89/60/487018960.db2.gz CGOUHIKLOHMBEG-UHFFFAOYSA-N 1 2 199.164 0.918 20 0 ACADLO CN(C)C(=O)[C@@H]1CCc2[nH+]ccn2C1 681550493 487026251 /nfs/dbraw/zinc/02/62/51/487026251.db2.gz ABZLTMIPMOWUJM-MRVPVSSYSA-N 1 2 193.250 0.534 20 0 ACADLO CN(C)C(=O)[C@H]1CCc2[nH+]ccn2C1 681550496 487026338 /nfs/dbraw/zinc/02/63/38/487026338.db2.gz ABZLTMIPMOWUJM-QMMMGPOBSA-N 1 2 193.250 0.534 20 0 ACADLO 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/nfs/dbraw/zinc/09/96/80/487099680.db2.gz FNJVSWMHNHOCDU-UHFFFAOYSA-N 1 2 192.266 0.894 20 0 ACADLO CC1(C[N@H+]2CCn3cnnc3C2)CC1 683828090 487099684 /nfs/dbraw/zinc/09/96/84/487099684.db2.gz FNJVSWMHNHOCDU-UHFFFAOYSA-N 1 2 192.266 0.894 20 0 ACADLO CC1(C[N@@H+]2CCn3ncnc3C2)CC1 683838659 487101750 /nfs/dbraw/zinc/10/17/50/487101750.db2.gz QRKGZEOMPCTRIS-UHFFFAOYSA-N 1 2 192.266 0.894 20 0 ACADLO CC1(C[N@H+]2CCn3ncnc3C2)CC1 683838659 487101754 /nfs/dbraw/zinc/10/17/54/487101754.db2.gz QRKGZEOMPCTRIS-UHFFFAOYSA-N 1 2 192.266 0.894 20 0 ACADLO CCCC[N@H+](CC)Cc1nnn(C)n1 683897027 487103269 /nfs/dbraw/zinc/10/32/69/487103269.db2.gz JROLOEKUTYTSTD-UHFFFAOYSA-N 1 2 197.286 0.832 20 0 ACADLO CCCC[N@@H+](CC)Cc1nnn(C)n1 683897027 487103272 /nfs/dbraw/zinc/10/32/72/487103272.db2.gz JROLOEKUTYTSTD-UHFFFAOYSA-N 1 2 197.286 0.832 20 0 ACADLO C[C@H]1CCCC[N@@H+]1Cc1nnn(C)n1 683896883 487103281 /nfs/dbraw/zinc/10/32/81/487103281.db2.gz BJANIJXJYKCFJP-QMMMGPOBSA-N 1 2 195.270 0.585 20 0 ACADLO 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Cc1[nH+]c[nH]c1CC(=O)NCCCF 683919655 487104692 /nfs/dbraw/zinc/10/46/92/487104692.db2.gz KDCINNOBXDWYKB-UHFFFAOYSA-N 1 2 199.229 0.736 20 0 ACADLO Cc1[nH]c[nH+]c1CC(=O)NCCCF 683919655 487104696 /nfs/dbraw/zinc/10/46/96/487104696.db2.gz KDCINNOBXDWYKB-UHFFFAOYSA-N 1 2 199.229 0.736 20 0 ACADLO Cc1[nH+]c[nH]c1CC(=O)NCC1CC1 683916870 487104749 /nfs/dbraw/zinc/10/47/49/487104749.db2.gz GMXWOWSXZHSCMC-UHFFFAOYSA-N 1 2 193.250 0.787 20 0 ACADLO Cc1[nH]c[nH+]c1CC(=O)NCC1CC1 683916870 487104752 /nfs/dbraw/zinc/10/47/52/487104752.db2.gz GMXWOWSXZHSCMC-UHFFFAOYSA-N 1 2 193.250 0.787 20 0 ACADLO COCCNC(=O)Cc1[nH]c[nH+]c1C 683917784 487104845 /nfs/dbraw/zinc/10/48/45/487104845.db2.gz PPNIGMMGICVQJN-UHFFFAOYSA-N 1 2 197.238 0.023 20 0 ACADLO COCCNC(=O)Cc1[nH+]c[nH]c1C 683917784 487104848 /nfs/dbraw/zinc/10/48/48/487104848.db2.gz PPNIGMMGICVQJN-UHFFFAOYSA-N 1 2 197.238 0.023 20 0 ACADLO O=c1ccc(C[NH2+]CC(F)F)c[nH]1 236119248 487106812 /nfs/dbraw/zinc/10/68/12/487106812.db2.gz FENZUFPGWJGKOJ-UHFFFAOYSA-N 1 2 188.177 0.730 20 0 ACADLO CN(C(=O)CCc1[nH]cc[nH+]1)C1CC1 684169240 487110623 /nfs/dbraw/zinc/11/06/23/487110623.db2.gz BFBQKBRGJUZZQW-UHFFFAOYSA-N 1 2 193.250 0.963 20 0 ACADLO O=C(CCc1[nH]cc[nH+]1)N1CCCC1 684169042 487110932 /nfs/dbraw/zinc/11/09/32/487110932.db2.gz IECRKZVQFMXPTC-UHFFFAOYSA-N 1 2 193.250 0.965 20 0 ACADLO O=C(CCc1[nH]cc[nH+]1)NCCCF 684169222 487111114 /nfs/dbraw/zinc/11/11/14/487111114.db2.gz AWUQQZMQSCRRJM-UHFFFAOYSA-N 1 2 199.229 0.818 20 0 ACADLO COCCNC(=O)CCc1[nH]cc[nH+]1 684169193 487111128 /nfs/dbraw/zinc/11/11/28/487111128.db2.gz OFFSOGHOBHMTDU-UHFFFAOYSA-N 1 2 197.238 0.105 20 0 ACADLO O=C(CCc1[nH]cc[nH+]1)NCC1CC1 684169708 487111152 /nfs/dbraw/zinc/11/11/52/487111152.db2.gz QGKYFUZDBDDZGE-UHFFFAOYSA-N 1 2 193.250 0.869 20 0 ACADLO CC(C)(O)CC(=O)NCc1[nH]cc[nH+]1 684281207 487114704 /nfs/dbraw/zinc/11/47/04/487114704.db2.gz RKPNQDAAJGNTJY-UHFFFAOYSA-N 1 2 197.238 0.187 20 0 ACADLO CC(C)(O)CC(=O)NCc1c[nH+]c[nH]1 684285815 487115002 /nfs/dbraw/zinc/11/50/02/487115002.db2.gz WCBLQZIOWNDSID-UHFFFAOYSA-N 1 2 197.238 0.187 20 0 ACADLO CC(C)(O)CC(=O)NCc1c[nH]c[nH+]1 684285815 487115005 /nfs/dbraw/zinc/11/50/05/487115005.db2.gz WCBLQZIOWNDSID-UHFFFAOYSA-N 1 2 197.238 0.187 20 0 ACADLO CN(Cc1cc[nH]n1)Cc1c[nH+]c[nH]1 684617641 487125751 /nfs/dbraw/zinc/12/57/51/487125751.db2.gz NGCSNPJQTMNRBY-UHFFFAOYSA-N 1 2 191.238 0.765 20 0 ACADLO CN(Cc1cc[nH]n1)Cc1c[nH]c[nH+]1 684617641 487125753 /nfs/dbraw/zinc/12/57/53/487125753.db2.gz NGCSNPJQTMNRBY-UHFFFAOYSA-N 1 2 191.238 0.765 20 0 ACADLO CC1=CCC[N@@H+](Cc2nncn2C)C1 684773802 487130609 /nfs/dbraw/zinc/13/06/09/487130609.db2.gz IOIQYAWEYMCQQA-UHFFFAOYSA-N 1 2 192.266 0.967 20 0 ACADLO CC1=CCC[N@H+](Cc2nncn2C)C1 684773802 487130613 /nfs/dbraw/zinc/13/06/13/487130613.db2.gz IOIQYAWEYMCQQA-UHFFFAOYSA-N 1 2 192.266 0.967 20 0 ACADLO CNC(=O)C[N@H+](C)Cc1cc(C)no1 684757300 487130735 /nfs/dbraw/zinc/13/07/35/487130735.db2.gz YNSVVQZEYNPBFQ-UHFFFAOYSA-N 1 2 197.238 0.161 20 0 ACADLO CNC(=O)C[N@@H+](C)Cc1cc(C)no1 684757300 487130739 /nfs/dbraw/zinc/13/07/39/487130739.db2.gz YNSVVQZEYNPBFQ-UHFFFAOYSA-N 1 2 197.238 0.161 20 0 ACADLO CC1=CCC[N@@H+](Cc2nnnn2C)C1 684774151 487131684 /nfs/dbraw/zinc/13/16/84/487131684.db2.gz RIAZCMSLCSTBAJ-UHFFFAOYSA-N 1 2 193.254 0.362 20 0 ACADLO CC1=CCC[N@H+](Cc2nnnn2C)C1 684774151 487131688 /nfs/dbraw/zinc/13/16/88/487131688.db2.gz RIAZCMSLCSTBAJ-UHFFFAOYSA-N 1 2 193.254 0.362 20 0 ACADLO CC1=CCC[N@H+](Cc2n[nH]c(=O)[nH]2)C1 684774062 487132089 /nfs/dbraw/zinc/13/20/89/487132089.db2.gz PWDNOABCIQWGNX-UHFFFAOYSA-N 1 2 194.238 0.662 20 0 ACADLO CC1=CCC[N@@H+](Cc2n[nH]c(=O)[nH]2)C1 684774062 487132094 /nfs/dbraw/zinc/13/20/94/487132094.db2.gz PWDNOABCIQWGNX-UHFFFAOYSA-N 1 2 194.238 0.662 20 0 ACADLO O=C(CCCn1cc[nH+]c1)NCCF 684790358 487132740 /nfs/dbraw/zinc/13/27/40/487132740.db2.gz WCGBPEKWYAKCJC-UHFFFAOYSA-N 1 2 199.229 0.749 20 0 ACADLO OCCNc1cc(NC2CC2)nc[nH+]1 258958898 487136740 /nfs/dbraw/zinc/13/67/40/487136740.db2.gz MISKXOSFCAAHRY-UHFFFAOYSA-N 1 2 194.238 0.455 20 0 ACADLO OCCNc1cc(NC2CC2)[nH+]cn1 258958898 487136746 /nfs/dbraw/zinc/13/67/46/487136746.db2.gz MISKXOSFCAAHRY-UHFFFAOYSA-N 1 2 194.238 0.455 20 0 ACADLO Cn1nnc(C[N@H+](C)CC(C)(C)C)n1 685035623 487140619 /nfs/dbraw/zinc/14/06/19/487140619.db2.gz VHROLGODRLFIOJ-UHFFFAOYSA-N 1 2 197.286 0.688 20 0 ACADLO Cn1nnc(C[N@@H+](C)CC(C)(C)C)n1 685035623 487140622 /nfs/dbraw/zinc/14/06/22/487140622.db2.gz VHROLGODRLFIOJ-UHFFFAOYSA-N 1 2 197.286 0.688 20 0 ACADLO CC(C)C[N@H+](C)Cc1nnn(C)n1 685034790 487140648 /nfs/dbraw/zinc/14/06/48/487140648.db2.gz DFOPKHXSSMLWPF-UHFFFAOYSA-N 1 2 183.259 0.298 20 0 ACADLO CC(C)C[N@@H+](C)Cc1nnn(C)n1 685034790 487140651 /nfs/dbraw/zinc/14/06/51/487140651.db2.gz DFOPKHXSSMLWPF-UHFFFAOYSA-N 1 2 183.259 0.298 20 0 ACADLO CCC[N@H+](CC)Cc1nnn(C)n1 685034994 487140672 /nfs/dbraw/zinc/14/06/72/487140672.db2.gz PTYJVWXNQOTKIK-UHFFFAOYSA-N 1 2 183.259 0.442 20 0 ACADLO CCC[N@@H+](CC)Cc1nnn(C)n1 685034994 487140677 /nfs/dbraw/zinc/14/06/77/487140677.db2.gz PTYJVWXNQOTKIK-UHFFFAOYSA-N 1 2 183.259 0.442 20 0 ACADLO C[C@@H]1CC[C@@H](C)[NH+]1Cc1nnn(C)n1 685036830 487140700 /nfs/dbraw/zinc/14/07/00/487140700.db2.gz OFCIZDYYOCOYOZ-HTQZYQBOSA-N 1 2 195.270 0.583 20 0 ACADLO C[C@@H]1C[C@@H](C)[N@H+](Cc2nnn(C)n2)C1 685036435 487140712 /nfs/dbraw/zinc/14/07/12/487140712.db2.gz MKGMGHCBMUYDFC-HTQZYQBOSA-N 1 2 195.270 0.440 20 0 ACADLO C[C@@H]1C[C@@H](C)[N@@H+](Cc2nnn(C)n2)C1 685036435 487140716 /nfs/dbraw/zinc/14/07/16/487140716.db2.gz MKGMGHCBMUYDFC-HTQZYQBOSA-N 1 2 195.270 0.440 20 0 ACADLO CCC[C@@H](C)[N@H+](C)Cc1nnn(C)n1 685034438 487140724 /nfs/dbraw/zinc/14/07/24/487140724.db2.gz LPLSZUAQWRLATK-MRVPVSSYSA-N 1 2 197.286 0.831 20 0 ACADLO CCC[C@@H](C)[N@@H+](C)Cc1nnn(C)n1 685034438 487140729 /nfs/dbraw/zinc/14/07/29/487140729.db2.gz LPLSZUAQWRLATK-MRVPVSSYSA-N 1 2 197.286 0.831 20 0 ACADLO CC[C@H]1CC[N@H+](Cc2nnn(C)n2)C1 685036522 487140776 /nfs/dbraw/zinc/14/07/76/487140776.db2.gz DUZCPMYTRHHYRQ-QMMMGPOBSA-N 1 2 195.270 0.442 20 0 ACADLO CC[C@H]1CC[N@@H+](Cc2nnn(C)n2)C1 685036522 487140781 /nfs/dbraw/zinc/14/07/81/487140781.db2.gz DUZCPMYTRHHYRQ-QMMMGPOBSA-N 1 2 195.270 0.442 20 0 ACADLO CC[C@H](C)[N@H+](C)Cc1nnn(C)n1 685037984 487140795 /nfs/dbraw/zinc/14/07/95/487140795.db2.gz MOPQHCVFJLXCDU-ZETCQYMHSA-N 1 2 183.259 0.440 20 0 ACADLO CC[C@H](C)[N@@H+](C)Cc1nnn(C)n1 685037984 487140799 /nfs/dbraw/zinc/14/07/99/487140799.db2.gz MOPQHCVFJLXCDU-ZETCQYMHSA-N 1 2 183.259 0.440 20 0 ACADLO CCC(C)(C)[N@H+](C)Cc1nnn(C)n1 685038113 487140811 /nfs/dbraw/zinc/14/08/11/487140811.db2.gz QNTIKXIJJLGVNI-UHFFFAOYSA-N 1 2 197.286 0.831 20 0 ACADLO CCC(C)(C)[N@@H+](C)Cc1nnn(C)n1 685038113 487140816 /nfs/dbraw/zinc/14/08/16/487140816.db2.gz QNTIKXIJJLGVNI-UHFFFAOYSA-N 1 2 197.286 0.831 20 0 ACADLO C[C@H]1CCC[N@@H+]1Cc1nnn(C)n1 685036980 487140855 /nfs/dbraw/zinc/14/08/55/487140855.db2.gz YVINVUKZLAOCEO-ZETCQYMHSA-N 1 2 181.243 0.194 20 0 ACADLO C[C@H]1CCC[N@H+]1Cc1nnn(C)n1 685036980 487140861 /nfs/dbraw/zinc/14/08/61/487140861.db2.gz YVINVUKZLAOCEO-ZETCQYMHSA-N 1 2 181.243 0.194 20 0 ACADLO CCC[C@H](C)[N@H+](C)Cc1nnn(C)n1 685034439 487140884 /nfs/dbraw/zinc/14/08/84/487140884.db2.gz LPLSZUAQWRLATK-QMMMGPOBSA-N 1 2 197.286 0.831 20 0 ACADLO CCC[C@H](C)[N@@H+](C)Cc1nnn(C)n1 685034439 487140889 /nfs/dbraw/zinc/14/08/89/487140889.db2.gz LPLSZUAQWRLATK-QMMMGPOBSA-N 1 2 197.286 0.831 20 0 ACADLO CCC[N@H+](Cc1nnn(C)n1)C1CC1 685036015 487140908 /nfs/dbraw/zinc/14/09/08/487140908.db2.gz YROGOIJDJZDHKA-UHFFFAOYSA-N 1 2 195.270 0.585 20 0 ACADLO CCC[N@@H+](Cc1nnn(C)n1)C1CC1 685036015 487140912 /nfs/dbraw/zinc/14/09/12/487140912.db2.gz YROGOIJDJZDHKA-UHFFFAOYSA-N 1 2 195.270 0.585 20 0 ACADLO C[C@H]1CC[N@H+](Cc2nnn(C)n2)[C@H]1C 685036897 487140928 /nfs/dbraw/zinc/14/09/28/487140928.db2.gz RYLALTBXMVDZQL-YUMQZZPRSA-N 1 2 195.270 0.440 20 0 ACADLO C[C@H]1CC[N@@H+](Cc2nnn(C)n2)[C@H]1C 685036897 487140932 /nfs/dbraw/zinc/14/09/32/487140932.db2.gz RYLALTBXMVDZQL-YUMQZZPRSA-N 1 2 195.270 0.440 20 0 ACADLO CC[C@@H](C)[N@H+](C)Cc1nnn(C)n1 685037983 487140939 /nfs/dbraw/zinc/14/09/39/487140939.db2.gz MOPQHCVFJLXCDU-SSDOTTSWSA-N 1 2 183.259 0.440 20 0 ACADLO CC[C@@H](C)[N@@H+](C)Cc1nnn(C)n1 685037983 487140942 /nfs/dbraw/zinc/14/09/42/487140942.db2.gz MOPQHCVFJLXCDU-SSDOTTSWSA-N 1 2 183.259 0.440 20 0 ACADLO Cn1nnc(C[N@@H+]2CCC(C)(C)C2)n1 685036954 487140967 /nfs/dbraw/zinc/14/09/67/487140967.db2.gz XNUNEMHZBYDCIF-UHFFFAOYSA-N 1 2 195.270 0.442 20 0 ACADLO Cn1nnc(C[N@H+]2CCC(C)(C)C2)n1 685036954 487140971 /nfs/dbraw/zinc/14/09/71/487140971.db2.gz XNUNEMHZBYDCIF-UHFFFAOYSA-N 1 2 195.270 0.442 20 0 ACADLO C[C@@H]1C[N@@H+](Cc2nnn(C)n2)C[C@@H]1C 685036837 487140980 /nfs/dbraw/zinc/14/09/80/487140980.db2.gz OICGFYVONDAHCU-OCAPTIKFSA-N 1 2 195.270 0.298 20 0 ACADLO C[C@@H]1C[N@H+](Cc2nnn(C)n2)C[C@@H]1C 685036837 487140987 /nfs/dbraw/zinc/14/09/87/487140987.db2.gz OICGFYVONDAHCU-OCAPTIKFSA-N 1 2 195.270 0.298 20 0 ACADLO C[C@H]1[C@H](C)CC[N@@H+]1Cc1nnn(C)n1 685036896 487141004 /nfs/dbraw/zinc/14/10/04/487141004.db2.gz RYLALTBXMVDZQL-SFYZADRCSA-N 1 2 195.270 0.440 20 0 ACADLO C[C@H]1[C@H](C)CC[N@H+]1Cc1nnn(C)n1 685036896 487141009 /nfs/dbraw/zinc/14/10/09/487141009.db2.gz RYLALTBXMVDZQL-SFYZADRCSA-N 1 2 195.270 0.440 20 0 ACADLO FCCn1ncnc1C[NH+]1CCCC1 685034640 487141050 /nfs/dbraw/zinc/14/10/50/487141050.db2.gz XAMYDSCOPHOEIX-UHFFFAOYSA-N 1 2 198.245 0.843 20 0 ACADLO CC[N@@H+](Cc1nnn(C)n1)CC(C)C 685034624 487141084 /nfs/dbraw/zinc/14/10/84/487141084.db2.gz VCBWUPLLQCBNTN-UHFFFAOYSA-N 1 2 197.286 0.688 20 0 ACADLO CC[N@H+](Cc1nnn(C)n1)CC(C)C 685034624 487141087 /nfs/dbraw/zinc/14/10/87/487141087.db2.gz VCBWUPLLQCBNTN-UHFFFAOYSA-N 1 2 197.286 0.688 20 0 ACADLO C[C@H]1C[C@H](C)[N@H+](Cc2nnn(C)n2)C1 685036439 487141104 /nfs/dbraw/zinc/14/11/04/487141104.db2.gz MKGMGHCBMUYDFC-YUMQZZPRSA-N 1 2 195.270 0.440 20 0 ACADLO C[C@H]1C[C@H](C)[N@@H+](Cc2nnn(C)n2)C1 685036439 487141110 /nfs/dbraw/zinc/14/11/10/487141110.db2.gz MKGMGHCBMUYDFC-YUMQZZPRSA-N 1 2 195.270 0.440 20 0 ACADLO C[C@H]1C[C@@H](C)[N@H+](Cc2nnn(C)n2)C1 685036436 487141128 /nfs/dbraw/zinc/14/11/28/487141128.db2.gz MKGMGHCBMUYDFC-JGVFFNPUSA-N 1 2 195.270 0.440 20 0 ACADLO C[C@H]1C[C@@H](C)[N@@H+](Cc2nnn(C)n2)C1 685036436 487141132 /nfs/dbraw/zinc/14/11/32/487141132.db2.gz MKGMGHCBMUYDFC-JGVFFNPUSA-N 1 2 195.270 0.440 20 0 ACADLO CC[C@@H](C)C[N@H+](C)Cc1nnn(C)n1 685036160 487141149 /nfs/dbraw/zinc/14/11/49/487141149.db2.gz IZARIYCOMBBYBN-MRVPVSSYSA-N 1 2 197.286 0.688 20 0 ACADLO CC[C@@H](C)C[N@@H+](C)Cc1nnn(C)n1 685036160 487141155 /nfs/dbraw/zinc/14/11/55/487141155.db2.gz IZARIYCOMBBYBN-MRVPVSSYSA-N 1 2 197.286 0.688 20 0 ACADLO C[C@@H]1C[NH+](Cc2nnn(C)n2)C[C@H]1C 685036836 487141164 /nfs/dbraw/zinc/14/11/64/487141164.db2.gz OICGFYVONDAHCU-HTQZYQBOSA-N 1 2 195.270 0.298 20 0 ACADLO C[C@H]1CC[N@H+](Cc2nnn(C)n2)[C@@H]1C 685036895 487141185 /nfs/dbraw/zinc/14/11/85/487141185.db2.gz RYLALTBXMVDZQL-JGVFFNPUSA-N 1 2 195.270 0.440 20 0 ACADLO C[C@H]1CC[N@@H+](Cc2nnn(C)n2)[C@@H]1C 685036895 487141192 /nfs/dbraw/zinc/14/11/92/487141192.db2.gz RYLALTBXMVDZQL-JGVFFNPUSA-N 1 2 195.270 0.440 20 0 ACADLO CC(C)[NH+](Cc1nnn(C)n1)C(C)C 685038217 487141208 /nfs/dbraw/zinc/14/12/08/487141208.db2.gz XDBDQLPVVYFYHQ-UHFFFAOYSA-N 1 2 197.286 0.829 20 0 ACADLO Cn1nnc(C[N@H+](C)C2CCCC2)n1 685034287 487141220 /nfs/dbraw/zinc/14/12/20/487141220.db2.gz YMQJCORMXJGKNT-UHFFFAOYSA-N 1 2 195.270 0.585 20 0 ACADLO Cn1nnc(C[N@@H+](C)C2CCCC2)n1 685034287 487141224 /nfs/dbraw/zinc/14/12/24/487141224.db2.gz YMQJCORMXJGKNT-UHFFFAOYSA-N 1 2 195.270 0.585 20 0 ACADLO CC[C@@H]1CC[N@H+](Cc2nnn(C)n2)C1 685036521 487141232 /nfs/dbraw/zinc/14/12/32/487141232.db2.gz DUZCPMYTRHHYRQ-MRVPVSSYSA-N 1 2 195.270 0.442 20 0 ACADLO CC[C@@H]1CC[N@@H+](Cc2nnn(C)n2)C1 685036521 487141238 /nfs/dbraw/zinc/14/12/38/487141238.db2.gz DUZCPMYTRHHYRQ-MRVPVSSYSA-N 1 2 195.270 0.442 20 0 ACADLO CC[C@H]1CCC[N@@H+]1Cc1nnn(C)n1 685035739 487141247 /nfs/dbraw/zinc/14/12/47/487141247.db2.gz CXQDJNVKEVNMBF-QMMMGPOBSA-N 1 2 195.270 0.585 20 0 ACADLO CC[C@H]1CCC[N@H+]1Cc1nnn(C)n1 685035739 487141250 /nfs/dbraw/zinc/14/12/50/487141250.db2.gz CXQDJNVKEVNMBF-QMMMGPOBSA-N 1 2 195.270 0.585 20 0 ACADLO CC[N@H+](Cc1nnn(C)n1)C1CCC1 685036340 487141271 /nfs/dbraw/zinc/14/12/71/487141271.db2.gz INOBRCNJIMKAIF-UHFFFAOYSA-N 1 2 195.270 0.585 20 0 ACADLO CC[N@@H+](Cc1nnn(C)n1)C1CCC1 685036340 487141276 /nfs/dbraw/zinc/14/12/76/487141276.db2.gz INOBRCNJIMKAIF-UHFFFAOYSA-N 1 2 195.270 0.585 20 0 ACADLO C[N@H+](Cc1ncnn1CCF)C1CC1 685034649 487141314 /nfs/dbraw/zinc/14/13/14/487141314.db2.gz YCJSCALANGOXOI-UHFFFAOYSA-N 1 2 198.245 0.842 20 0 ACADLO C[N@@H+](Cc1ncnn1CCF)C1CC1 685034649 487141318 /nfs/dbraw/zinc/14/13/18/487141318.db2.gz YCJSCALANGOXOI-UHFFFAOYSA-N 1 2 198.245 0.842 20 0 ACADLO CC[C@@H]1CCC[N@@H+]1Cc1nnn(C)n1 685035738 487141348 /nfs/dbraw/zinc/14/13/48/487141348.db2.gz CXQDJNVKEVNMBF-MRVPVSSYSA-N 1 2 195.270 0.585 20 0 ACADLO CC[C@@H]1CCC[N@H+]1Cc1nnn(C)n1 685035738 487141351 /nfs/dbraw/zinc/14/13/51/487141351.db2.gz CXQDJNVKEVNMBF-MRVPVSSYSA-N 1 2 195.270 0.585 20 0 ACADLO C[C@@H]1CCC[N@@H+]1Cc1nnn(C)n1 685036978 487141357 /nfs/dbraw/zinc/14/13/57/487141357.db2.gz YVINVUKZLAOCEO-SSDOTTSWSA-N 1 2 181.243 0.194 20 0 ACADLO C[C@@H]1CCC[N@H+]1Cc1nnn(C)n1 685036978 487141360 /nfs/dbraw/zinc/14/13/60/487141360.db2.gz YVINVUKZLAOCEO-SSDOTTSWSA-N 1 2 181.243 0.194 20 0 ACADLO Cn1nnc(C[NH+]2C3CCC2CC3)n1 685034543 487141406 /nfs/dbraw/zinc/14/14/06/487141406.db2.gz OXMYKDNSOGMOIV-UHFFFAOYSA-N 1 2 193.254 0.337 20 0 ACADLO CC(C)CC[N@H+](C)Cc1nnn(C)n1 685034574 487141415 /nfs/dbraw/zinc/14/14/15/487141415.db2.gz QNKSJEFMACUHCT-UHFFFAOYSA-N 1 2 197.286 0.688 20 0 ACADLO CC(C)CC[N@@H+](C)Cc1nnn(C)n1 685034574 487141418 /nfs/dbraw/zinc/14/14/18/487141418.db2.gz QNKSJEFMACUHCT-UHFFFAOYSA-N 1 2 197.286 0.688 20 0 ACADLO C[C@H]1CC[C@H](C)[NH+]1Cc1nnn(C)n1 685036832 487141429 /nfs/dbraw/zinc/14/14/29/487141429.db2.gz OFCIZDYYOCOYOZ-YUMQZZPRSA-N 1 2 195.270 0.583 20 0 ACADLO C[C@H]1CC[C@@H](C)[N@@H+]1Cc1nnn(C)n1 685036831 487141440 /nfs/dbraw/zinc/14/14/40/487141440.db2.gz OFCIZDYYOCOYOZ-OCAPTIKFSA-N 1 2 195.270 0.583 20 0 ACADLO C[C@H]1CC[C@@H](C)[N@H+]1Cc1nnn(C)n1 685036831 487141443 /nfs/dbraw/zinc/14/14/43/487141443.db2.gz OFCIZDYYOCOYOZ-OCAPTIKFSA-N 1 2 195.270 0.583 20 0 ACADLO Cn1nnc(C[N@H+](C)CCC2CC2)n1 685037692 487141461 /nfs/dbraw/zinc/14/14/61/487141461.db2.gz HPMPVRAWAQLAOL-UHFFFAOYSA-N 1 2 195.270 0.442 20 0 ACADLO Cn1nnc(C[N@@H+](C)CCC2CC2)n1 685037692 487141464 /nfs/dbraw/zinc/14/14/64/487141464.db2.gz HPMPVRAWAQLAOL-UHFFFAOYSA-N 1 2 195.270 0.442 20 0 ACADLO C[C@@H]1CC[N@H+](Cc2nnn(C)n2)[C@@H]1C 685036894 487141478 /nfs/dbraw/zinc/14/14/78/487141478.db2.gz RYLALTBXMVDZQL-HTQZYQBOSA-N 1 2 195.270 0.440 20 0 ACADLO C[C@@H]1CC[N@@H+](Cc2nnn(C)n2)[C@@H]1C 685036894 487141483 /nfs/dbraw/zinc/14/14/83/487141483.db2.gz RYLALTBXMVDZQL-HTQZYQBOSA-N 1 2 195.270 0.440 20 0 ACADLO CC[C@H](C)C[N@H+](C)Cc1nnn(C)n1 685036161 487141491 /nfs/dbraw/zinc/14/14/91/487141491.db2.gz IZARIYCOMBBYBN-QMMMGPOBSA-N 1 2 197.286 0.688 20 0 ACADLO CC[C@H](C)C[N@@H+](C)Cc1nnn(C)n1 685036161 487141492 /nfs/dbraw/zinc/14/14/92/487141492.db2.gz IZARIYCOMBBYBN-QMMMGPOBSA-N 1 2 197.286 0.688 20 0 ACADLO C[C@H]1C[C@@H](C)C[N@H+]1Cc1nnn(C)n1 685036437 487141511 /nfs/dbraw/zinc/14/15/11/487141511.db2.gz MKGMGHCBMUYDFC-SFYZADRCSA-N 1 2 195.270 0.440 20 0 ACADLO C[C@H]1C[C@@H](C)C[N@@H+]1Cc1nnn(C)n1 685036437 487141515 /nfs/dbraw/zinc/14/15/15/487141515.db2.gz MKGMGHCBMUYDFC-SFYZADRCSA-N 1 2 195.270 0.440 20 0 ACADLO CCC[N@H+](C)Cc1nnn(C)n1 685035527 487141524 /nfs/dbraw/zinc/14/15/24/487141524.db2.gz RJDMKEQTTNGSIG-UHFFFAOYSA-N 1 2 169.232 0.052 20 0 ACADLO CCC[N@@H+](C)Cc1nnn(C)n1 685035527 487141529 /nfs/dbraw/zinc/14/15/29/487141529.db2.gz RJDMKEQTTNGSIG-UHFFFAOYSA-N 1 2 169.232 0.052 20 0 ACADLO CC[N@@H+](Cc1nnn(C)n1)CC1CC1 685036297 487141539 /nfs/dbraw/zinc/14/15/39/487141539.db2.gz PBDDLSZEWJBVIE-UHFFFAOYSA-N 1 2 195.270 0.442 20 0 ACADLO CC[N@H+](Cc1nnn(C)n1)CC1CC1 685036297 487141544 /nfs/dbraw/zinc/14/15/44/487141544.db2.gz PBDDLSZEWJBVIE-UHFFFAOYSA-N 1 2 195.270 0.442 20 0 ACADLO C[C@H]1C[NH+](Cc2nnn(C)n2)C[C@@H]1C 685036839 487141559 /nfs/dbraw/zinc/14/15/59/487141559.db2.gz OICGFYVONDAHCU-YUMQZZPRSA-N 1 2 195.270 0.298 20 0 ACADLO Cc1noc([C@@H](C)[N@H+](C)CCCO)n1 685047274 487142395 /nfs/dbraw/zinc/14/23/95/487142395.db2.gz PGCQRHLKLZCXJZ-SSDOTTSWSA-N 1 2 199.254 0.753 20 0 ACADLO Cc1noc([C@@H](C)[N@@H+](C)CCCO)n1 685047274 487142402 /nfs/dbraw/zinc/14/24/02/487142402.db2.gz PGCQRHLKLZCXJZ-SSDOTTSWSA-N 1 2 199.254 0.753 20 0 ACADLO Cc1noc([C@H](C)[N@H+](C)CCCO)n1 685047275 487142671 /nfs/dbraw/zinc/14/26/71/487142671.db2.gz PGCQRHLKLZCXJZ-ZETCQYMHSA-N 1 2 199.254 0.753 20 0 ACADLO Cc1noc([C@H](C)[N@@H+](C)CCCO)n1 685047275 487142674 /nfs/dbraw/zinc/14/26/74/487142674.db2.gz PGCQRHLKLZCXJZ-ZETCQYMHSA-N 1 2 199.254 0.753 20 0 ACADLO CC(C)n1cc(C[N@@H+](C)CCO)nn1 685407278 487143323 /nfs/dbraw/zinc/14/33/23/487143323.db2.gz YWLXEVVEMIVGFU-UHFFFAOYSA-N 1 2 198.270 0.283 20 0 ACADLO CC(C)n1cc(C[N@H+](C)CCO)nn1 685407278 487143317 /nfs/dbraw/zinc/14/33/17/487143317.db2.gz YWLXEVVEMIVGFU-UHFFFAOYSA-N 1 2 198.270 0.283 20 0 ACADLO Cc1[nH]ncc1C[N@H+](C)CCC(N)=O 685447243 487144512 /nfs/dbraw/zinc/14/45/12/487144512.db2.gz GAKCOUSFYMELBD-UHFFFAOYSA-N 1 2 196.254 0.025 20 0 ACADLO Cc1[nH]ncc1C[N@@H+](C)CCC(N)=O 685447243 487144513 /nfs/dbraw/zinc/14/45/13/487144513.db2.gz GAKCOUSFYMELBD-UHFFFAOYSA-N 1 2 196.254 0.025 20 0 ACADLO Cc1nc([C@H](C)[N@@H+](C)C[C@H](C)O)no1 685565023 487146786 /nfs/dbraw/zinc/14/67/86/487146786.db2.gz RNZPFIMNOFIFRC-BQBZGAKWSA-N 1 2 199.254 0.752 20 0 ACADLO Cc1nc([C@H](C)[N@H+](C)C[C@H](C)O)no1 685565023 487146790 /nfs/dbraw/zinc/14/67/90/487146790.db2.gz RNZPFIMNOFIFRC-BQBZGAKWSA-N 1 2 199.254 0.752 20 0 ACADLO Cc1nc([C@@H](C)[N@@H+](C)C[C@H](C)O)no1 685565024 487146933 /nfs/dbraw/zinc/14/69/33/487146933.db2.gz RNZPFIMNOFIFRC-NKWVEPMBSA-N 1 2 199.254 0.752 20 0 ACADLO Cc1nc([C@@H](C)[N@H+](C)C[C@H](C)O)no1 685565024 487146936 /nfs/dbraw/zinc/14/69/36/487146936.db2.gz RNZPFIMNOFIFRC-NKWVEPMBSA-N 1 2 199.254 0.752 20 0 ACADLO Cc1nc([C@H](C)[N@H+](C)CCCO)no1 685581166 487147654 /nfs/dbraw/zinc/14/76/54/487147654.db2.gz ZAHAFJHXHLLKTN-ZETCQYMHSA-N 1 2 199.254 0.753 20 0 ACADLO Cc1nc([C@H](C)[N@@H+](C)CCCO)no1 685581166 487147656 /nfs/dbraw/zinc/14/76/56/487147656.db2.gz ZAHAFJHXHLLKTN-ZETCQYMHSA-N 1 2 199.254 0.753 20 0 ACADLO Cc1nc([C@@H](C)[N@H+](C)CCCO)no1 685581165 487147663 /nfs/dbraw/zinc/14/76/63/487147663.db2.gz ZAHAFJHXHLLKTN-SSDOTTSWSA-N 1 2 199.254 0.753 20 0 ACADLO Cc1nc([C@@H](C)[N@@H+](C)CCCO)no1 685581165 487147666 /nfs/dbraw/zinc/14/76/66/487147666.db2.gz ZAHAFJHXHLLKTN-SSDOTTSWSA-N 1 2 199.254 0.753 20 0 ACADLO Cc1[nH+]cccc1Cn1nnnc1C 685580258 487147706 /nfs/dbraw/zinc/14/77/06/487147706.db2.gz VCSKIXVOMSRBJY-UHFFFAOYSA-N 1 2 189.222 0.733 20 0 ACADLO OC[C@@H]1[C@H]2C[N@@H+](CC(F)F)C[C@H]21 306176072 487150971 /nfs/dbraw/zinc/15/09/71/487150971.db2.gz NDKAZISEUCXNRC-ZMONIFLSSA-N 1 2 177.194 0.422 20 0 ACADLO OC[C@@H]1[C@H]2C[N@H+](CC(F)F)C[C@H]21 306176072 487150972 /nfs/dbraw/zinc/15/09/72/487150972.db2.gz NDKAZISEUCXNRC-ZMONIFLSSA-N 1 2 177.194 0.422 20 0 ACADLO COc1ccc(Cn2cc[nH+]c2)nn1 307125166 487174158 /nfs/dbraw/zinc/17/41/58/487174158.db2.gz TUEYPYYBRJYYGZ-UHFFFAOYSA-N 1 2 190.206 0.730 20 0 ACADLO C[C@H]1CCC[C@@H]1[NH2+]Cc1n[nH]c(=O)[nH]1 307360882 487179720 /nfs/dbraw/zinc/17/97/20/487179720.db2.gz GQGAGBXEBGJETN-BQBZGAKWSA-N 1 2 196.254 0.376 20 0 ACADLO C[C@@H]1CCC[C@H]1[NH2+]Cc1n[nH]c(=O)[nH]1 307360884 487179749 /nfs/dbraw/zinc/17/97/49/487179749.db2.gz GQGAGBXEBGJETN-RNFRBKRXSA-N 1 2 196.254 0.376 20 0 ACADLO C[C@H]1CCC[C@H]1[NH2+]Cc1n[nH]c(=O)[nH]1 307360883 487179757 /nfs/dbraw/zinc/17/97/57/487179757.db2.gz GQGAGBXEBGJETN-NKWVEPMBSA-N 1 2 196.254 0.376 20 0 ACADLO C[C@@H]1CCC[C@@H]1[NH2+]Cc1n[nH]c(=O)[nH]1 307360885 487179762 /nfs/dbraw/zinc/17/97/62/487179762.db2.gz GQGAGBXEBGJETN-RQJHMYQMSA-N 1 2 196.254 0.376 20 0 ACADLO C[C@H]1C[N@H+](Cc2csnn2)C[C@H]1O 307379257 487180361 /nfs/dbraw/zinc/18/03/61/487180361.db2.gz DRYYFPPSEHAPMS-POYBYMJQSA-N 1 2 199.279 0.351 20 0 ACADLO C[C@H]1C[N@@H+](Cc2csnn2)C[C@H]1O 307379257 487180363 /nfs/dbraw/zinc/18/03/63/487180363.db2.gz DRYYFPPSEHAPMS-POYBYMJQSA-N 1 2 199.279 0.351 20 0 ACADLO C[C@@H]1C[N@H+](Cc2csnn2)C[C@H]1O 307379250 487180419 /nfs/dbraw/zinc/18/04/19/487180419.db2.gz DRYYFPPSEHAPMS-HTRCEHHLSA-N 1 2 199.279 0.351 20 0 ACADLO C[C@@H]1C[N@@H+](Cc2csnn2)C[C@H]1O 307379250 487180422 /nfs/dbraw/zinc/18/04/22/487180422.db2.gz DRYYFPPSEHAPMS-HTRCEHHLSA-N 1 2 199.279 0.351 20 0 ACADLO C[C@@H]1C[N@H+](Cc2csnn2)C[C@@H]1O 307379263 487180436 /nfs/dbraw/zinc/18/04/36/487180436.db2.gz DRYYFPPSEHAPMS-SVRRBLITSA-N 1 2 199.279 0.351 20 0 ACADLO C[C@@H]1C[N@@H+](Cc2csnn2)C[C@@H]1O 307379263 487180439 /nfs/dbraw/zinc/18/04/39/487180439.db2.gz DRYYFPPSEHAPMS-SVRRBLITSA-N 1 2 199.279 0.351 20 0 ACADLO C[C@H]1C[N@H+](Cc2csnn2)C[C@@H]1O 307379266 487180539 /nfs/dbraw/zinc/18/05/39/487180539.db2.gz DRYYFPPSEHAPMS-XPUUQOCRSA-N 1 2 199.279 0.351 20 0 ACADLO C[C@H]1C[N@@H+](Cc2csnn2)C[C@@H]1O 307379266 487180540 /nfs/dbraw/zinc/18/05/40/487180540.db2.gz DRYYFPPSEHAPMS-XPUUQOCRSA-N 1 2 199.279 0.351 20 0 ACADLO CNC(=O)NCCNc1cccc[nH+]1 307582204 487185420 /nfs/dbraw/zinc/18/54/20/487185420.db2.gz UIVRKZDXHPIGHF-UHFFFAOYSA-N 1 2 194.238 0.423 20 0 ACADLO C[C@H](CO)[N@H+](C)Cc1csnn1 308121100 487194057 /nfs/dbraw/zinc/19/40/57/487194057.db2.gz PVYXZAOTWGQZHU-ZCFIWIBFSA-N 1 2 187.268 0.351 20 0 ACADLO C[C@H](CO)[N@@H+](C)Cc1csnn1 308121100 487194059 /nfs/dbraw/zinc/19/40/59/487194059.db2.gz PVYXZAOTWGQZHU-ZCFIWIBFSA-N 1 2 187.268 0.351 20 0 ACADLO CC(C)[C@](C)([NH2+]CC(F)F)C(N)=O 308205484 487196773 /nfs/dbraw/zinc/19/67/73/487196773.db2.gz YNYKVIPONFUFEW-QMMMGPOBSA-N 1 2 194.225 0.741 20 0 ACADLO CC(C)[C@@](C)([NH2+]CC(F)F)C(N)=O 308205483 487196795 /nfs/dbraw/zinc/19/67/95/487196795.db2.gz YNYKVIPONFUFEW-MRVPVSSYSA-N 1 2 194.225 0.741 20 0 ACADLO CC[C@H](O)C[NH+]1CC(OC(F)F)C1 308496487 487202282 /nfs/dbraw/zinc/20/22/82/487202282.db2.gz UGOTXXMWQIZWIU-LURJTMIESA-N 1 2 195.209 0.681 20 0 ACADLO C[C@@H]1C[N@H+](Cc2cnn(C)c2)CCO1 335931042 487232100 /nfs/dbraw/zinc/23/21/00/487232100.db2.gz GVTKRVBXBLCFGA-SECBINFHSA-N 1 2 195.266 0.641 20 0 ACADLO C[C@@H]1C[N@@H+](Cc2cnn(C)c2)CCO1 335931042 487232101 /nfs/dbraw/zinc/23/21/01/487232101.db2.gz GVTKRVBXBLCFGA-SECBINFHSA-N 1 2 195.266 0.641 20 0 ACADLO Cc1[nH]ncc1C[N@H+](C)CCCO 379387523 487241362 /nfs/dbraw/zinc/24/13/62/487241362.db2.gz HPHMVKLTADSDOX-UHFFFAOYSA-N 1 2 183.255 0.532 20 0 ACADLO Cc1[nH]ncc1C[N@@H+](C)CCCO 379387523 487241363 /nfs/dbraw/zinc/24/13/63/487241363.db2.gz HPHMVKLTADSDOX-UHFFFAOYSA-N 1 2 183.255 0.532 20 0 ACADLO CC[C@@H](O)C[NH+]1CC(OC(F)F)C1 379417263 487243670 /nfs/dbraw/zinc/24/36/70/487243670.db2.gz UGOTXXMWQIZWIU-ZCFIWIBFSA-N 1 2 195.209 0.681 20 0 ACADLO CCn1cc[nH+]c1CNC(=O)N(C)C 385110334 487254676 /nfs/dbraw/zinc/25/46/76/487254676.db2.gz CRDIIHIDXSKVMD-UHFFFAOYSA-N 1 2 196.254 0.674 20 0 ACADLO CCNC(=O)NCc1[nH+]ccn1CC 385172145 487254744 /nfs/dbraw/zinc/25/47/44/487254744.db2.gz LBVSIYDRDUNWDI-UHFFFAOYSA-N 1 2 196.254 0.722 20 0 ACADLO CCn1cc[nH+]c1CNC(=O)COC 385315858 487255473 /nfs/dbraw/zinc/25/54/73/487255473.db2.gz HLTKZIPVEZEXKP-UHFFFAOYSA-N 1 2 197.238 0.166 20 0 ACADLO CCC(=O)NCc1[nH+]ccn1CC 385352767 487255594 /nfs/dbraw/zinc/25/55/94/487255594.db2.gz OFLBAGSMDXVNGU-UHFFFAOYSA-N 1 2 181.239 0.929 20 0 ACADLO CCn1cc[nH+]c1CNC(=O)C1CC1 385299659 487255645 /nfs/dbraw/zinc/25/56/45/487255645.db2.gz DPOHYNFYYLNBKA-UHFFFAOYSA-N 1 2 193.250 0.929 20 0 ACADLO CC[C@@H]([NH2+]Cc1n[nH]c(=O)[nH]1)C1CC1 392408319 487264778 /nfs/dbraw/zinc/26/47/78/487264778.db2.gz VXJWYNXWSCPWBU-SSDOTTSWSA-N 1 2 196.254 0.789 20 0 ACADLO CC[C@H]([NH2+]Cc1n[nH]c(=O)[nH]1)C1CC1 392408320 487264884 /nfs/dbraw/zinc/26/48/84/487264884.db2.gz VXJWYNXWSCPWBU-ZETCQYMHSA-N 1 2 196.254 0.789 20 0 ACADLO CC1CC([NH2+]CC(F)(F)CN)C1 393321043 487266398 /nfs/dbraw/zinc/26/63/98/487266398.db2.gz AKBVXZRAIUASSC-UHFFFAOYSA-N 1 2 178.226 0.969 20 0 ACADLO COCC1(O)C[NH+](Cc2ccco2)C1 395202899 487272009 /nfs/dbraw/zinc/27/20/09/487272009.db2.gz HFWALVAGLOJLRL-UHFFFAOYSA-N 1 2 197.234 0.473 20 0 ACADLO C[C@H](O)C[NH+]1CC(OC(F)F)C1 398920992 487285877 /nfs/dbraw/zinc/28/58/77/487285877.db2.gz LLPZMWDNKZFPGR-YFKPBYRVSA-N 1 2 181.182 0.291 20 0 ACADLO C[C@@H](O)C[NH+]1CC(OC(F)F)C1 398920989 487286458 /nfs/dbraw/zinc/28/64/58/487286458.db2.gz LLPZMWDNKZFPGR-RXMQYKEDSA-N 1 2 181.182 0.291 20 0 ACADLO OC1CN(c2cc[nH+]cc2F)C1 606250667 487303008 /nfs/dbraw/zinc/30/30/08/487303008.db2.gz SIDZCWAZDSIZIN-UHFFFAOYSA-N 1 2 168.171 0.402 20 0 ACADLO Cc1[nH]c(CN2CCOCC2)[nH+]c1C 606269557 487304892 /nfs/dbraw/zinc/30/48/92/487304892.db2.gz KOLDAUMRWJAVSM-UHFFFAOYSA-N 1 2 195.266 0.859 20 0 ACADLO CNC(=O)[C@H](C)Nc1cc[nH+]cc1F 606273528 487305476 /nfs/dbraw/zinc/30/54/76/487305476.db2.gz IQEVDIADCYYWQV-LURJTMIESA-N 1 2 197.213 0.189 20 0 ACADLO CO[C@@H]1COC[C@@H]1Nc1cccc[nH+]1 665740866 487314664 /nfs/dbraw/zinc/31/46/64/487314664.db2.gz PAUAUIOZNOYSMQ-DTWKUNHWSA-N 1 2 194.234 0.907 20 0 ACADLO CC1(C)C[C@@H]1NC(=O)Cn1cc[nH+]c1 665981903 487319032 /nfs/dbraw/zinc/31/90/32/487319032.db2.gz FZEPJMFJROCGAM-QMMMGPOBSA-N 1 2 193.250 0.798 20 0 ACADLO C[C@@H](O)C[NH+]1CC(OCC(F)F)C1 666144700 487322065 /nfs/dbraw/zinc/32/20/65/487322065.db2.gz FNCXSDAAYHQVMK-ZCFIWIBFSA-N 1 2 195.209 0.333 20 0 ACADLO C[C@H](O)C[NH+]1CC(OCC(F)F)C1 666144699 487322129 /nfs/dbraw/zinc/32/21/29/487322129.db2.gz FNCXSDAAYHQVMK-LURJTMIESA-N 1 2 195.209 0.333 20 0 ACADLO O=C(CCCF)NCCn1cc[nH+]c1 666353353 487326914 /nfs/dbraw/zinc/32/69/14/487326914.db2.gz UVLHGLVBRWCUSB-UHFFFAOYSA-N 1 2 199.229 0.749 20 0 ACADLO CC[N@H+](CC(N)=O)Cc1ccoc1C 666358221 487328042 /nfs/dbraw/zinc/32/80/42/487328042.db2.gz XMFXNFJSRANSME-UHFFFAOYSA-N 1 2 196.250 0.895 20 0 ACADLO CC[N@@H+](CC(N)=O)Cc1ccoc1C 666358221 487328046 /nfs/dbraw/zinc/32/80/46/487328046.db2.gz XMFXNFJSRANSME-UHFFFAOYSA-N 1 2 196.250 0.895 20 0 ACADLO Cn1cc[nH+]c1CNC(=O)CCCF 668193806 487361075 /nfs/dbraw/zinc/36/10/75/487361075.db2.gz QDDSODALMXSLSX-UHFFFAOYSA-N 1 2 199.229 0.786 20 0 ACADLO O=C(CCCF)NCCc1[nH]cc[nH+]1 668536258 487363996 /nfs/dbraw/zinc/36/39/96/487363996.db2.gz QMNCLJAVCFLQLQ-UHFFFAOYSA-N 1 2 199.229 0.818 20 0 ACADLO O=C(CCCF)NCc1[nH]cc[nH+]1 668604368 487364814 /nfs/dbraw/zinc/36/48/14/487364814.db2.gz ORCQOLPDKINNFU-UHFFFAOYSA-N 1 2 185.202 0.776 20 0 ACADLO Cc1[nH]ncc1C[NH2+]C1([C@@H](C)O)CC1 668696466 487366307 /nfs/dbraw/zinc/36/63/07/487366307.db2.gz QOLOMJKUFYVIGN-MRVPVSSYSA-N 1 2 195.266 0.721 20 0 ACADLO C[C@@H](O)C1([NH2+]Cc2csnn2)CC1 668697926 487366315 /nfs/dbraw/zinc/36/63/15/487366315.db2.gz PBUMUCBQVOAFCR-ZCFIWIBFSA-N 1 2 199.279 0.541 20 0 ACADLO Cc1[nH]ncc1C[NH2+]C1([C@H](C)O)CC1 668696467 487366343 /nfs/dbraw/zinc/36/63/43/487366343.db2.gz QOLOMJKUFYVIGN-QMMMGPOBSA-N 1 2 195.266 0.721 20 0 ACADLO C[C@H](O)C1([NH2+]Cc2csnn2)CC1 668697925 487366540 /nfs/dbraw/zinc/36/65/40/487366540.db2.gz PBUMUCBQVOAFCR-LURJTMIESA-N 1 2 199.279 0.541 20 0 ACADLO C[C@H](O)C1([NH2+]Cc2ccn[nH]2)CC1 668698221 487366723 /nfs/dbraw/zinc/36/67/23/487366723.db2.gz XHKXBOKGBHEBBM-ZETCQYMHSA-N 1 2 181.239 0.413 20 0 ACADLO C[C@@H](O)C1([NH2+]Cc2ccn[nH]2)CC1 668698220 487366838 /nfs/dbraw/zinc/36/68/38/487366838.db2.gz XHKXBOKGBHEBBM-SSDOTTSWSA-N 1 2 181.239 0.413 20 0 ACADLO CO[C@@]1(C)C[C@H]1[NH2+]Cc1csnn1 668745733 487367947 /nfs/dbraw/zinc/36/79/47/487367947.db2.gz GHTVLWAXXZUQFY-SFYZADRCSA-N 1 2 199.279 0.805 20 0 ACADLO O[C@H]1C[C@H]([NH2+]Cc2csnn2)C1 668780011 487368432 /nfs/dbraw/zinc/36/84/32/487368432.db2.gz KEPIAHXZODZFPR-KBTIHESUSA-N 1 2 185.252 0.151 20 0 ACADLO Cc1[nH]ncc1C[N@@H+](C)C1(CO)CC1 668801017 487369200 /nfs/dbraw/zinc/36/92/00/487369200.db2.gz IMQFFGMLVZDOJA-UHFFFAOYSA-N 1 2 195.266 0.675 20 0 ACADLO Cc1[nH]ncc1C[N@H+](C)C1(CO)CC1 668801017 487369202 /nfs/dbraw/zinc/36/92/02/487369202.db2.gz IMQFFGMLVZDOJA-UHFFFAOYSA-N 1 2 195.266 0.675 20 0 ACADLO Cc1cn[nH]c1C[N@@H+](C)C1(CO)CC1 668798106 487369214 /nfs/dbraw/zinc/36/92/14/487369214.db2.gz LFDXIKQGOMRCJL-UHFFFAOYSA-N 1 2 195.266 0.675 20 0 ACADLO Cc1cn[nH]c1C[N@H+](C)C1(CO)CC1 668798106 487369216 /nfs/dbraw/zinc/36/92/16/487369216.db2.gz LFDXIKQGOMRCJL-UHFFFAOYSA-N 1 2 195.266 0.675 20 0 ACADLO O=C(CCCF)NCc1c[nH+]c[nH]1 668995997 487370663 /nfs/dbraw/zinc/37/06/63/487370663.db2.gz SRLGUFRRXXKTHU-UHFFFAOYSA-N 1 2 185.202 0.776 20 0 ACADLO O=C(CCCF)NCc1c[nH]c[nH+]1 668995997 487370666 /nfs/dbraw/zinc/37/06/66/487370666.db2.gz SRLGUFRRXXKTHU-UHFFFAOYSA-N 1 2 185.202 0.776 20 0 ACADLO CCOCC(=O)OCCn1cc[nH+]c1 200500290 582456675 /nfs/dbraw/zinc/45/66/75/582456675.db2.gz IDYOIBXRHGXZAU-UHFFFAOYSA-N 1 2 198.222 0.463 20 0 ACADLO O=C(Cc1c[nH]c[nH+]1)NC/C=C/Cl 891196929 582474517 /nfs/dbraw/zinc/47/45/17/582474517.db2.gz FSJNNGZVWNKUMB-OWOJBTEDSA-N 1 2 199.641 0.821 20 0 ACADLO O=C(Cc1c[nH+]c[nH]1)NC/C=C/Cl 891196929 582474518 /nfs/dbraw/zinc/47/45/18/582474518.db2.gz FSJNNGZVWNKUMB-OWOJBTEDSA-N 1 2 199.641 0.821 20 0 ACADLO O=C(Cc1c[nH]c[nH+]1)NC/C=C\Cl 891196936 582474687 /nfs/dbraw/zinc/47/46/87/582474687.db2.gz FSJNNGZVWNKUMB-UPHRSURJSA-N 1 2 199.641 0.821 20 0 ACADLO O=C(Cc1c[nH+]c[nH]1)NC/C=C\Cl 891196936 582474689 /nfs/dbraw/zinc/47/46/89/582474689.db2.gz FSJNNGZVWNKUMB-UPHRSURJSA-N 1 2 199.641 0.821 20 0 ACADLO C[C@@H](O)CNc1cc(N(C)C)nc[nH+]1 891437148 582477685 /nfs/dbraw/zinc/47/76/85/582477685.db2.gz QREWHNCGHZJMIP-SSDOTTSWSA-N 1 2 196.254 0.335 20 0 ACADLO C[C@@H](O)CNc1cc(N(C)C)[nH+]cn1 891437148 582477689 /nfs/dbraw/zinc/47/76/89/582477689.db2.gz QREWHNCGHZJMIP-SSDOTTSWSA-N 1 2 196.254 0.335 20 0 ACADLO C[C@H](O)CNc1cc(N(C)C)nc[nH+]1 891437149 582478259 /nfs/dbraw/zinc/47/82/59/582478259.db2.gz QREWHNCGHZJMIP-ZETCQYMHSA-N 1 2 196.254 0.335 20 0 ACADLO C[C@H](O)CNc1cc(N(C)C)[nH+]cn1 891437149 582478260 /nfs/dbraw/zinc/47/82/60/582478260.db2.gz QREWHNCGHZJMIP-ZETCQYMHSA-N 1 2 196.254 0.335 20 0 ACADLO CCCNC(=O)NCc1cn(C)c[nH+]1 891465285 582478456 /nfs/dbraw/zinc/47/84/56/582478456.db2.gz PQURDMMPQDKCEF-UHFFFAOYSA-N 1 2 196.254 0.629 20 0 ACADLO CCNC(=O)NCc1cn(C)c[nH+]1 891948624 582479010 /nfs/dbraw/zinc/47/90/10/582479010.db2.gz UCPVUUNPFXIVLM-UHFFFAOYSA-N 1 2 182.227 0.239 20 0 ACADLO C[NH+]1CCN(CC(F)(F)F)CC1 142558976 582485311 /nfs/dbraw/zinc/48/53/11/582485311.db2.gz QKKJCMRCGNAZNM-UHFFFAOYSA-N 1 2 182.189 0.796 20 0 ACADLO C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1O 306288802 582485704 /nfs/dbraw/zinc/48/57/04/582485704.db2.gz NJQYHOAWTIIXLO-RKDXNWHRSA-N 1 2 178.235 0.899 20 0 ACADLO c1cc(C[NH2+]C2CSC2)[nH]n1 306464341 582486574 /nfs/dbraw/zinc/48/65/74/582486574.db2.gz MLCOIMNAZFJDNB-UHFFFAOYSA-N 1 2 169.253 0.615 20 0 ACADLO C[C@@H]1C[N@H+](CC(F)F)C[C@H]1O 306469458 582486719 /nfs/dbraw/zinc/48/67/19/582486719.db2.gz VAALTJOYYBRJGW-PHDIDXHHSA-N 1 2 165.183 0.564 20 0 ACADLO C[C@@H]1C[N@@H+](CC(F)F)C[C@H]1O 306469458 582486720 /nfs/dbraw/zinc/48/67/20/582486720.db2.gz VAALTJOYYBRJGW-PHDIDXHHSA-N 1 2 165.183 0.564 20 0 ACADLO Cc1nnc(C[N@@H+]2CC[C@H](O)C2)s1 306498533 582486867 /nfs/dbraw/zinc/48/68/67/582486867.db2.gz UGGSASONRFPRLV-ZETCQYMHSA-N 1 2 199.279 0.413 20 0 ACADLO Cc1nnc(C[N@H+]2CC[C@H](O)C2)s1 306498533 582486869 /nfs/dbraw/zinc/48/68/69/582486869.db2.gz UGGSASONRFPRLV-ZETCQYMHSA-N 1 2 199.279 0.413 20 0 ACADLO C[C@H]1C[N@H+](CC(F)F)C[C@@H]1O 306469460 582486949 /nfs/dbraw/zinc/48/69/49/582486949.db2.gz VAALTJOYYBRJGW-WDSKDSINSA-N 1 2 165.183 0.564 20 0 ACADLO C[C@H]1C[N@@H+](CC(F)F)C[C@@H]1O 306469460 582486951 /nfs/dbraw/zinc/48/69/51/582486951.db2.gz VAALTJOYYBRJGW-WDSKDSINSA-N 1 2 165.183 0.564 20 0 ACADLO C[C@H]1C[N@H+](CC(F)F)C[C@H]1O 306469457 582487008 /nfs/dbraw/zinc/48/70/08/582487008.db2.gz VAALTJOYYBRJGW-NTSWFWBYSA-N 1 2 165.183 0.564 20 0 ACADLO C[C@H]1C[N@@H+](CC(F)F)C[C@H]1O 306469457 582487010 /nfs/dbraw/zinc/48/70/10/582487010.db2.gz VAALTJOYYBRJGW-NTSWFWBYSA-N 1 2 165.183 0.564 20 0 ACADLO C[C@@H]1C[N@H+](CC(F)F)C[C@@H]1O 306469459 582487124 /nfs/dbraw/zinc/48/71/24/582487124.db2.gz VAALTJOYYBRJGW-RITPCOANSA-N 1 2 165.183 0.564 20 0 ACADLO C[C@@H]1C[N@@H+](CC(F)F)C[C@@H]1O 306469459 582487125 /nfs/dbraw/zinc/48/71/25/582487125.db2.gz VAALTJOYYBRJGW-RITPCOANSA-N 1 2 165.183 0.564 20 0 ACADLO Cc1nnc(C[N@@H+]2CC[C@@H](O)C2)s1 306498532 582487131 /nfs/dbraw/zinc/48/71/31/582487131.db2.gz UGGSASONRFPRLV-SSDOTTSWSA-N 1 2 199.279 0.413 20 0 ACADLO Cc1nnc(C[N@H+]2CC[C@@H](O)C2)s1 306498532 582487132 /nfs/dbraw/zinc/48/71/32/582487132.db2.gz UGGSASONRFPRLV-SSDOTTSWSA-N 1 2 199.279 0.413 20 0 ACADLO Cc1noc([C@@H](C)[NH2+][C@H]2CCOC2)n1 307756803 582488564 /nfs/dbraw/zinc/48/85/64/582488564.db2.gz IWGQJUKMGFPQIN-SVRRBLITSA-N 1 2 197.238 0.818 20 0 ACADLO Cc1noc([C@@H](C)[NH2+][C@@H]2CCOC2)n1 307756801 582488838 /nfs/dbraw/zinc/48/88/38/582488838.db2.gz IWGQJUKMGFPQIN-HTRCEHHLSA-N 1 2 197.238 0.818 20 0 ACADLO Cc1noc([C@H](C)[NH2+][C@@H]2CCOC2)n1 307756802 582488893 /nfs/dbraw/zinc/48/88/93/582488893.db2.gz IWGQJUKMGFPQIN-POYBYMJQSA-N 1 2 197.238 0.818 20 0 ACADLO Cc1noc([C@H](C)[NH2+][C@H]2CCOC2)n1 307756804 582488912 /nfs/dbraw/zinc/48/89/12/582488912.db2.gz IWGQJUKMGFPQIN-XPUUQOCRSA-N 1 2 197.238 0.818 20 0 ACADLO CC(=O)OC[C@@H](C)[NH2+]Cc1ccn[nH]1 892515200 582490720 /nfs/dbraw/zinc/49/07/20/582490720.db2.gz IGRANRNJSBDVOJ-SSDOTTSWSA-N 1 2 197.238 0.451 20 0 ACADLO CC(=O)OC[C@H](C)[NH2+]Cc1ccn[nH]1 892515201 582490984 /nfs/dbraw/zinc/49/09/84/582490984.db2.gz IGRANRNJSBDVOJ-ZETCQYMHSA-N 1 2 197.238 0.451 20 0 ACADLO CCCC(=O)NCCc1c[nH+]cn1C 200681193 582492012 /nfs/dbraw/zinc/49/20/12/582492012.db2.gz ZMSGQTZGVHVXJM-UHFFFAOYSA-N 1 2 195.266 0.879 20 0 ACADLO C[C@@H]([NH2+]Cc1c[nH]nn1)[C@@H]1CCCO1 393689231 582493145 /nfs/dbraw/zinc/49/31/45/582493145.db2.gz ZHWYEHBPEMRHDB-APPZFPTMSA-N 1 2 196.254 0.462 20 0 ACADLO C[C@@H]([NH2+]Cc1cn[nH]n1)[C@@H]1CCCO1 393689231 582493149 /nfs/dbraw/zinc/49/31/49/582493149.db2.gz ZHWYEHBPEMRHDB-APPZFPTMSA-N 1 2 196.254 0.462 20 0 ACADLO CNC(=O)C[C@H](C)[NH2+]Cc1ccn[nH]1 393692494 582493200 /nfs/dbraw/zinc/49/32/00/582493200.db2.gz YKUFREOTXRMPAN-ZETCQYMHSA-N 1 2 196.254 0.024 20 0 ACADLO C[C@@H]([NH2+]Cc1c[nH]nn1)[C@H]1CCCO1 393689236 582493414 /nfs/dbraw/zinc/49/34/14/582493414.db2.gz ZHWYEHBPEMRHDB-VXNVDRBHSA-N 1 2 196.254 0.462 20 0 ACADLO C[C@@H]([NH2+]Cc1cn[nH]n1)[C@H]1CCCO1 393689236 582493416 /nfs/dbraw/zinc/49/34/16/582493416.db2.gz ZHWYEHBPEMRHDB-VXNVDRBHSA-N 1 2 196.254 0.462 20 0 ACADLO C[C@H]([NH2+]Cc1c[nH]nn1)[C@@H]1CCCO1 393689233 582493437 /nfs/dbraw/zinc/49/34/37/582493437.db2.gz ZHWYEHBPEMRHDB-CBAPKCEASA-N 1 2 196.254 0.462 20 0 ACADLO C[C@H]([NH2+]Cc1cn[nH]n1)[C@@H]1CCCO1 393689233 582493439 /nfs/dbraw/zinc/49/34/39/582493439.db2.gz ZHWYEHBPEMRHDB-CBAPKCEASA-N 1 2 196.254 0.462 20 0 ACADLO C[C@H]([NH2+]Cc1c[nH]nn1)[C@H]1CCCO1 393689234 582493608 /nfs/dbraw/zinc/49/36/08/582493608.db2.gz ZHWYEHBPEMRHDB-IONNQARKSA-N 1 2 196.254 0.462 20 0 ACADLO C[C@H]([NH2+]Cc1cn[nH]n1)[C@H]1CCCO1 393689234 582493609 /nfs/dbraw/zinc/49/36/09/582493609.db2.gz ZHWYEHBPEMRHDB-IONNQARKSA-N 1 2 196.254 0.462 20 0 ACADLO CNC(=O)C[C@@H](C)[NH2+]Cc1ccn[nH]1 393692493 582493735 /nfs/dbraw/zinc/49/37/35/582493735.db2.gz YKUFREOTXRMPAN-SSDOTTSWSA-N 1 2 196.254 0.024 20 0 ACADLO Cn1c[nH+]cc1COC(=O)CCF 892778231 582496626 /nfs/dbraw/zinc/49/66/26/582496626.db2.gz VOMUQANLKQZKEP-UHFFFAOYSA-N 1 2 186.186 0.823 20 0 ACADLO CC(=O)OC[C@H](C)[NH2+]Cc1cocn1 892977542 582497768 /nfs/dbraw/zinc/49/77/68/582497768.db2.gz RIVMCVAVASSDKQ-ZETCQYMHSA-N 1 2 198.222 0.716 20 0 ACADLO CC(=O)OC[C@@H](C)[NH2+]Cc1cocn1 892977541 582498070 /nfs/dbraw/zinc/49/80/70/582498070.db2.gz RIVMCVAVASSDKQ-SSDOTTSWSA-N 1 2 198.222 0.716 20 0 ACADLO CC(=O)OC[C@H](C)[NH2+]Cc1ccon1 893097962 582498732 /nfs/dbraw/zinc/49/87/32/582498732.db2.gz BRFFZPITRZCXTC-ZETCQYMHSA-N 1 2 198.222 0.716 20 0 ACADLO CC(=O)OC[C@@H](C)[NH2+]Cc1ccon1 893097961 582498889 /nfs/dbraw/zinc/49/88/89/582498889.db2.gz BRFFZPITRZCXTC-SSDOTTSWSA-N 1 2 198.222 0.716 20 0 ACADLO O=C(Cc1[nH]cc[nH+]1)N[C@H]1C=CCC1 855433699 582503271 /nfs/dbraw/zinc/50/32/71/582503271.db2.gz VKNDPQBNLJFGBB-QMMMGPOBSA-N 1 2 191.234 0.787 20 0 ACADLO CCONC(=O)NCc1cn(C)c[nH+]1 894274807 582513421 /nfs/dbraw/zinc/51/34/21/582513421.db2.gz BSUUVQVWAMPBAD-UHFFFAOYSA-N 1 2 198.226 0.171 20 0 ACADLO CC[N@H+](CC(N)=O)Cc1ocnc1C 894540125 582516534 /nfs/dbraw/zinc/51/65/34/582516534.db2.gz CSJGBFRHLZEEPN-UHFFFAOYSA-N 1 2 197.238 0.290 20 0 ACADLO CC[N@@H+](CC(N)=O)Cc1ocnc1C 894540125 582516536 /nfs/dbraw/zinc/51/65/36/582516536.db2.gz CSJGBFRHLZEEPN-UHFFFAOYSA-N 1 2 197.238 0.290 20 0 ACADLO CCn1cc(C[NH+]2CC3(CC3)C2)nn1 894663008 582516989 /nfs/dbraw/zinc/51/69/89/582516989.db2.gz DODMGRYCINZEOP-UHFFFAOYSA-N 1 2 192.266 0.894 20 0 ACADLO CNc1cc(N[C@H]2C[C@H](O)C2)[nH+]cn1 894640352 582517001 /nfs/dbraw/zinc/51/70/01/582517001.db2.gz BCGQDLWYAUSWEA-LJGSYFOKSA-N 1 2 194.238 0.454 20 0 ACADLO CC(=O)OC[C@H](C)[NH2+]C(CF)CF 894668363 582517602 /nfs/dbraw/zinc/51/76/02/582517602.db2.gz SBIPBFOKMSGFIB-LURJTMIESA-N 1 2 195.209 0.835 20 0 ACADLO CC(=O)OC[C@@H](C)[NH2+]C(CF)CF 894668364 582517847 /nfs/dbraw/zinc/51/78/47/582517847.db2.gz SBIPBFOKMSGFIB-ZCFIWIBFSA-N 1 2 195.209 0.835 20 0 ACADLO COC1(C)CN(Cc2c[nH+]c[nH]2)C1 894780364 582518358 /nfs/dbraw/zinc/51/83/58/582518358.db2.gz BITYTFVFJOHONW-UHFFFAOYSA-N 1 2 181.239 0.630 20 0 ACADLO COC1(C)CN(Cc2c[nH]c[nH+]2)C1 894780364 582518359 /nfs/dbraw/zinc/51/83/59/582518359.db2.gz BITYTFVFJOHONW-UHFFFAOYSA-N 1 2 181.239 0.630 20 0 ACADLO C[C@H]1CN(c2cccc[nH+]2)C[C@H]1O 306288801 582518822 /nfs/dbraw/zinc/51/88/22/582518822.db2.gz NJQYHOAWTIIXLO-DTWKUNHWSA-N 1 2 178.235 0.899 20 0 ACADLO Cn1cc[nH+]c1CNc1ncnn1C 306509816 582519693 /nfs/dbraw/zinc/51/96/93/582519693.db2.gz JVFWPFXQOYNPCS-UHFFFAOYSA-N 1 2 192.226 0.161 20 0 ACADLO Cc1[nH]ncc1C[NH2+]C[C@H]1COCO1 894870835 582520236 /nfs/dbraw/zinc/52/02/36/582520236.db2.gz NPPNADAYMZXIJG-VIFPVBQESA-N 1 2 197.238 0.181 20 0 ACADLO Cc1[nH]ncc1C[NH2+]C[C@@H]1COCO1 894870834 582520756 /nfs/dbraw/zinc/52/07/56/582520756.db2.gz NPPNADAYMZXIJG-SECBINFHSA-N 1 2 197.238 0.181 20 0 ACADLO Cc1ncoc1C[NH+]1CC(C)(O)C1 894975515 582521812 /nfs/dbraw/zinc/52/18/12/582521812.db2.gz BLPGABUJGHQJTF-UHFFFAOYSA-N 1 2 182.223 0.550 20 0 ACADLO CCOC1CN(Cc2c[nH+]c[nH]2)C1 894970524 582522068 /nfs/dbraw/zinc/52/20/68/582522068.db2.gz DUOTURBQRFLWCQ-UHFFFAOYSA-N 1 2 181.239 0.630 20 0 ACADLO CCOC1CN(Cc2c[nH]c[nH+]2)C1 894970524 582522071 /nfs/dbraw/zinc/52/20/71/582522071.db2.gz DUOTURBQRFLWCQ-UHFFFAOYSA-N 1 2 181.239 0.630 20 0 ACADLO CC(C)(O)C1C[NH+](Cc2c[nH]cn2)C1 894977462 582522525 /nfs/dbraw/zinc/52/25/25/582522525.db2.gz SKTZDVAMMPZCGQ-UHFFFAOYSA-N 1 2 195.266 0.612 20 0 ACADLO CC(C)(O)C1C[NH+](Cc2cnc[nH]2)C1 894977462 582522534 /nfs/dbraw/zinc/52/25/34/582522534.db2.gz SKTZDVAMMPZCGQ-UHFFFAOYSA-N 1 2 195.266 0.612 20 0 ACADLO CC1=NO[C@H](C[NH2+]Cc2ccon2)C1 895304433 582526578 /nfs/dbraw/zinc/52/65/78/582526578.db2.gz IRTUOIVCXWTZMB-VIFPVBQESA-N 1 2 195.222 0.929 20 0 ACADLO CC1=NO[C@H](C[NH2+]Cc2c[nH]cn2)C1 895301141 582526467 /nfs/dbraw/zinc/52/64/67/582526467.db2.gz ZYLVGWNHBTVOSS-VIFPVBQESA-N 1 2 194.238 0.664 20 0 ACADLO CC1=NO[C@@H](C[NH2+]Cc2c[nH]cn2)C1 895301140 582526771 /nfs/dbraw/zinc/52/67/71/582526771.db2.gz ZYLVGWNHBTVOSS-SECBINFHSA-N 1 2 194.238 0.664 20 0 ACADLO CC1=NO[C@@H](C[NH2+]Cc2ccon2)C1 895304428 582526816 /nfs/dbraw/zinc/52/68/16/582526816.db2.gz IRTUOIVCXWTZMB-SECBINFHSA-N 1 2 195.222 0.929 20 0 ACADLO CNC(=O)C[N@H+](C)Cc1ocnc1C 895350751 582528072 /nfs/dbraw/zinc/52/80/72/582528072.db2.gz HARZZOJKROGGNL-UHFFFAOYSA-N 1 2 197.238 0.161 20 0 ACADLO CNC(=O)C[N@@H+](C)Cc1ocnc1C 895350751 582528074 /nfs/dbraw/zinc/52/80/74/582528074.db2.gz HARZZOJKROGGNL-UHFFFAOYSA-N 1 2 197.238 0.161 20 0 ACADLO Cc1ncoc1C[NH2+]C1(C)COC1 895442856 582528582 /nfs/dbraw/zinc/52/85/82/582528582.db2.gz GAYHQMWSMFLILP-UHFFFAOYSA-N 1 2 182.223 0.862 20 0 ACADLO CCn1cc(C[NH2+]C2(C)COC2)nn1 895752582 582530158 /nfs/dbraw/zinc/53/01/58/582530158.db2.gz AXUZSHCCFWCJMC-UHFFFAOYSA-N 1 2 196.254 0.177 20 0 ACADLO CC[C@H](COC)[NH2+][C@H]1CCOC1=O 895803834 582530695 /nfs/dbraw/zinc/53/06/95/582530695.db2.gz LISCFJSHLOMOLT-SFYZADRCSA-N 1 2 187.239 0.317 20 0 ACADLO CO[C@H](C)[C@@H](C)[NH2+][C@H]1CCOC1=O 895808003 582530699 /nfs/dbraw/zinc/53/06/99/582530699.db2.gz GLFXRFFIPGIIFM-PRJMDXOYSA-N 1 2 187.239 0.315 20 0 ACADLO C[C@@H]1C[C@H]([NH2+][C@H]2CCOC2=O)[C@@H](C)O1 895808148 582530729 /nfs/dbraw/zinc/53/07/29/582530729.db2.gz BIZQWNQRJGIOJC-HXFLIBJXSA-N 1 2 199.250 0.457 20 0 ACADLO C[C@@H]1O[C@H](C)C[C@@H]1[NH2+][C@H]1CCOC1=O 895808151 582530847 /nfs/dbraw/zinc/53/08/47/582530847.db2.gz BIZQWNQRJGIOJC-XGEHTFHBSA-N 1 2 199.250 0.457 20 0 ACADLO C[C@H]1C[C@H]([NH2+][C@H]2CCOC2=O)CO1 895809541 582530833 /nfs/dbraw/zinc/53/08/33/582530833.db2.gz ZJYYFYRJIVNADR-FXQIFTODSA-N 1 2 185.223 0.069 20 0 ACADLO CC1(C)C[C@H]([NH2+][C@H]2CCOC2=O)CO1 895809548 582530893 /nfs/dbraw/zinc/53/08/93/582530893.db2.gz ZPCLMMVOLPSVAX-YUMQZZPRSA-N 1 2 199.250 0.459 20 0 ACADLO C[C@@H]1C[C@H]([NH2+][C@H]2CCOC2=O)CO1 895809540 582530868 /nfs/dbraw/zinc/53/08/68/582530868.db2.gz ZJYYFYRJIVNADR-CSMHCCOUSA-N 1 2 185.223 0.069 20 0 ACADLO CO[C@@H](C)[C@@H](C)[NH2+][C@H]1CCOC1=O 895808001 582530872 /nfs/dbraw/zinc/53/08/72/582530872.db2.gz GLFXRFFIPGIIFM-CSMHCCOUSA-N 1 2 187.239 0.315 20 0 ACADLO CC1(C)C[C@@H]([NH2+][C@H]2CCOC2=O)CO1 895809547 582530918 /nfs/dbraw/zinc/53/09/18/582530918.db2.gz ZPCLMMVOLPSVAX-SFYZADRCSA-N 1 2 199.250 0.459 20 0 ACADLO C[C@@H]1C[C@@H]1C[NH2+][C@H]1CCOC1=O 895803598 582530941 /nfs/dbraw/zinc/53/09/41/582530941.db2.gz ISMZUSYZFLCHST-PRJMDXOYSA-N 1 2 169.224 0.548 20 0 ACADLO C[C@@H]1C[C@@H]([NH2+][C@H]2CCOC2=O)CO1 895809542 582530973 /nfs/dbraw/zinc/53/09/73/582530973.db2.gz ZJYYFYRJIVNADR-PRJMDXOYSA-N 1 2 185.223 0.069 20 0 ACADLO CCOC[C@@H](C)[NH2+][C@H]1CCOC1=O 895805448 582530978 /nfs/dbraw/zinc/53/09/78/582530978.db2.gz UIMLSSLVZHXMPH-SFYZADRCSA-N 1 2 187.239 0.317 20 0 ACADLO C[C@H]1C[C@@H]1C[NH2+][C@H]1CCOC1=O 895803600 582530984 /nfs/dbraw/zinc/53/09/84/582530984.db2.gz ISMZUSYZFLCHST-RNJXMRFFSA-N 1 2 169.224 0.548 20 0 ACADLO C[C@H]1C[C@H]1C[NH2+][C@H]1CCOC1=O 895803596 582531013 /nfs/dbraw/zinc/53/10/13/582531013.db2.gz ISMZUSYZFLCHST-FXQIFTODSA-N 1 2 169.224 0.548 20 0 ACADLO C[C@@H]([NH2+][C@H]1CCOC1=O)[C@H]1CCCO1 895808252 582531015 /nfs/dbraw/zinc/53/10/15/582531015.db2.gz JCHHOSKEJZWEBE-HRDYMLBCSA-N 1 2 199.250 0.459 20 0 ACADLO C[C@H]1C[C@@H]([NH2+][C@H]2CCOC2=O)CO1 895809543 582531021 /nfs/dbraw/zinc/53/10/21/582531021.db2.gz ZJYYFYRJIVNADR-RNJXMRFFSA-N 1 2 185.223 0.069 20 0 ACADLO C[C@@H]1O[C@H](C)C[C@H]1[NH2+][C@H]1CCOC1=O 895808150 582531038 /nfs/dbraw/zinc/53/10/38/582531038.db2.gz BIZQWNQRJGIOJC-RYPBNFRJSA-N 1 2 199.250 0.457 20 0 ACADLO C[C@@H]1OCC[C@@H]1[NH2+][C@H]1CCOC1=O 895802432 582531042 /nfs/dbraw/zinc/53/10/42/582531042.db2.gz SSQJPNOKIUQHKM-FXQIFTODSA-N 1 2 185.223 0.069 20 0 ACADLO CO[C@H](C)[C@H](C)[NH2+][C@H]1CCOC1=O 895808004 582531050 /nfs/dbraw/zinc/53/10/50/582531050.db2.gz GLFXRFFIPGIIFM-RNJXMRFFSA-N 1 2 187.239 0.315 20 0 ACADLO C[C@@H]1C[C@H]1C[NH2+][C@H]1CCOC1=O 895803595 582531053 /nfs/dbraw/zinc/53/10/53/582531053.db2.gz ISMZUSYZFLCHST-CSMHCCOUSA-N 1 2 169.224 0.548 20 0 ACADLO CO[C@@H](C[NH2+][C@H]1CCOC1=O)C1CC1 895808992 582531071 /nfs/dbraw/zinc/53/10/71/582531071.db2.gz PRZQXKLZAPGVQN-IUCAKERBSA-N 1 2 199.250 0.317 20 0 ACADLO C[C@@H]1C[C@@H]([NH2+][C@H]2CCOC2=O)[C@@H](C)O1 895808149 582531080 /nfs/dbraw/zinc/53/10/80/582531080.db2.gz BIZQWNQRJGIOJC-LURQLKTLSA-N 1 2 199.250 0.457 20 0 ACADLO CO[C@H](C[NH2+][C@H]1CCOC1=O)C1CC1 895808991 582531091 /nfs/dbraw/zinc/53/10/91/582531091.db2.gz PRZQXKLZAPGVQN-DTWKUNHWSA-N 1 2 199.250 0.317 20 0 ACADLO C[C@H]1OCC[C@@H]1[NH2+][C@H]1CCOC1=O 895802431 582531120 /nfs/dbraw/zinc/53/11/20/582531120.db2.gz SSQJPNOKIUQHKM-CSMHCCOUSA-N 1 2 185.223 0.069 20 0 ACADLO C[C@@H]1OCC[C@H]1[NH2+][C@H]1CCOC1=O 895802434 582531150 /nfs/dbraw/zinc/53/11/50/582531150.db2.gz SSQJPNOKIUQHKM-RNJXMRFFSA-N 1 2 185.223 0.069 20 0 ACADLO CC[C@@H](COC)[NH2+][C@H]1CCOC1=O 895803835 582531158 /nfs/dbraw/zinc/53/11/58/582531158.db2.gz LISCFJSHLOMOLT-YUMQZZPRSA-N 1 2 187.239 0.317 20 0 ACADLO CO[C@@H](C)[C@H](C)[NH2+][C@H]1CCOC1=O 895808002 582531192 /nfs/dbraw/zinc/53/11/92/582531192.db2.gz GLFXRFFIPGIIFM-FXQIFTODSA-N 1 2 187.239 0.315 20 0 ACADLO C[C@@H]([NH2+][C@H]1CCOC1=O)[C@@H]1CCCO1 895808253 582531241 /nfs/dbraw/zinc/53/12/41/582531241.db2.gz JCHHOSKEJZWEBE-VGMNWLOBSA-N 1 2 199.250 0.459 20 0 ACADLO Cn1cc(C[NH+]2CC3(CC3)C2)nn1 896122843 582532117 /nfs/dbraw/zinc/53/21/17/582532117.db2.gz YQQLQKLVVIUJCP-UHFFFAOYSA-N 1 2 178.239 0.411 20 0 ACADLO Cn1ncc(C[NH+]2CC3(CC3)C2)n1 896120922 582532128 /nfs/dbraw/zinc/53/21/28/582532128.db2.gz AFYYUQKLFSVQCP-UHFFFAOYSA-N 1 2 178.239 0.411 20 0 ACADLO CN(C)c1noc(C2([NH+](C)C)CC2)n1 896172798 582532147 /nfs/dbraw/zinc/53/21/47/582532147.db2.gz FMVKLGPTESDIFR-UHFFFAOYSA-N 1 2 196.254 0.686 20 0 ACADLO CONC(=O)CNc1cc(C)cc[nH+]1 896194560 582532449 /nfs/dbraw/zinc/53/24/49/582532449.db2.gz DCOIOTZPGWOKSK-UHFFFAOYSA-N 1 2 195.222 0.480 20 0 ACADLO CCn1nncc1C[NH+]1CC2(CC2)C1 896121539 582532505 /nfs/dbraw/zinc/53/25/05/582532505.db2.gz JFHKEOPFKBGURN-UHFFFAOYSA-N 1 2 192.266 0.894 20 0 ACADLO CONC(=O)CNc1cccc(C)[nH+]1 896195807 582532629 /nfs/dbraw/zinc/53/26/29/582532629.db2.gz SNRHXQUDXGRNII-UHFFFAOYSA-N 1 2 195.222 0.480 20 0 ACADLO Cn1nncc1C[NH+]1CC2(CC2)C1 896122247 582532638 /nfs/dbraw/zinc/53/26/38/582532638.db2.gz QXKCQXAEVUMTPG-UHFFFAOYSA-N 1 2 178.239 0.411 20 0 ACADLO Cc1[nH]ncc1C[N@@H+]1CCCOCC1 335940094 582533421 /nfs/dbraw/zinc/53/34/21/582533421.db2.gz BNRCACWBVRWEKP-UHFFFAOYSA-N 1 2 195.266 0.940 20 0 ACADLO Cc1[nH]ncc1C[N@H+]1CCCOCC1 335940094 582533423 /nfs/dbraw/zinc/53/34/23/582533423.db2.gz BNRCACWBVRWEKP-UHFFFAOYSA-N 1 2 195.266 0.940 20 0 ACADLO OC[C@H]1C[C@H](Nc2cc[nH+]cc2F)C1 896694665 582534033 /nfs/dbraw/zinc/53/40/33/582534033.db2.gz CDDSIVSVSRBYFD-ZKCHVHJHSA-N 1 2 196.225 0.825 20 0 ACADLO Cc1nc(N[C@H]2C[C@H](CO)C2)cc[nH+]1 896690101 582534147 /nfs/dbraw/zinc/53/41/47/582534147.db2.gz MQGZOHZWNYUJBD-KYZUINATSA-N 1 2 193.250 0.968 20 0 ACADLO Cc1cc(N[C@H]2C[C@H](CO)C2)nc[nH+]1 896689855 582534351 /nfs/dbraw/zinc/53/43/51/582534351.db2.gz JCCWNFWUEUUMSX-KYZUINATSA-N 1 2 193.250 0.968 20 0 ACADLO CONC(=O)C[NH2+][C@@H](C)C1CCC1 896928169 582537909 /nfs/dbraw/zinc/53/79/09/582537909.db2.gz XMLOCCSXWOBLFF-ZETCQYMHSA-N 1 2 186.255 0.442 20 0 ACADLO CONC(=O)C[NH2+][C@H](C)C1CCC1 896928168 582537841 /nfs/dbraw/zinc/53/78/41/582537841.db2.gz XMLOCCSXWOBLFF-SSDOTTSWSA-N 1 2 186.255 0.442 20 0 ACADLO CC[C@@H]([NH2+]CC(=O)NOC)C(C)C 896927602 582537339 /nfs/dbraw/zinc/53/73/39/582537339.db2.gz RRDQOWZIXJXSGH-MRVPVSSYSA-N 1 2 188.271 0.688 20 0 ACADLO CONC(=O)C[NH2+][C@@H]1CC[C@H]1C1CC1 896926668 582537475 /nfs/dbraw/zinc/53/74/75/582537475.db2.gz JUKHYNZLLMBCTL-DTWKUNHWSA-N 1 2 198.266 0.442 20 0 ACADLO CONC(=O)C[NH2+][C@@H]1CC[C@@H]1C 896927917 582537483 /nfs/dbraw/zinc/53/74/83/582537483.db2.gz VKKPDGKQKGKBAQ-NKWVEPMBSA-N 1 2 172.228 0.052 20 0 ACADLO CCCC[C@H](C)[NH2+]CC(=O)NOC 896928301 582537692 /nfs/dbraw/zinc/53/76/92/582537692.db2.gz ZUQKUXMVTNBAHJ-QMMMGPOBSA-N 1 2 188.271 0.832 20 0 ACADLO CONC(=O)C[NH2+][C@H]1CC[C@@H]1C1CC1 896926667 582537765 /nfs/dbraw/zinc/53/77/65/582537765.db2.gz JUKHYNZLLMBCTL-BDAKNGLRSA-N 1 2 198.266 0.442 20 0 ACADLO CCCC[C@@H](C)[NH2+]CC(=O)NOC 896928300 582537785 /nfs/dbraw/zinc/53/77/85/582537785.db2.gz ZUQKUXMVTNBAHJ-MRVPVSSYSA-N 1 2 188.271 0.832 20 0 ACADLO CONC(=O)C[NH2+][C@@H]1CC[C@@H]1C1CC1 896926670 582537816 /nfs/dbraw/zinc/53/78/16/582537816.db2.gz JUKHYNZLLMBCTL-RKDXNWHRSA-N 1 2 198.266 0.442 20 0 ACADLO COCC(=O)NCc1[nH]c(C)c(C)[nH+]1 896926850 582537827 /nfs/dbraw/zinc/53/78/27/582537827.db2.gz ACJXSWPITICMAF-UHFFFAOYSA-N 1 2 197.238 0.289 20 0 ACADLO CC[C@H]([NH2+]CC(=O)NOC)C(C)C 896927605 582537831 /nfs/dbraw/zinc/53/78/31/582537831.db2.gz RRDQOWZIXJXSGH-QMMMGPOBSA-N 1 2 188.271 0.688 20 0 ACADLO CONC(=O)C[NH2+][C@H]1CC=C(C)CC1 896927372 582537893 /nfs/dbraw/zinc/53/78/93/582537893.db2.gz RARGJJGZZWDZLT-VIFPVBQESA-N 1 2 198.266 0.752 20 0 ACADLO CONC(=O)C[NH2+][C@H]1CC[C@@H]1C 896927911 582537904 /nfs/dbraw/zinc/53/79/04/582537904.db2.gz VKKPDGKQKGKBAQ-BQBZGAKWSA-N 1 2 172.228 0.052 20 0 ACADLO CONC(=O)C[NH2+][C@@H]1CC[C@H]1C 896927918 582537942 /nfs/dbraw/zinc/53/79/42/582537942.db2.gz VKKPDGKQKGKBAQ-RNFRBKRXSA-N 1 2 172.228 0.052 20 0 ACADLO CONC(=O)C[NH2+][C@@H]1CC=C(C)CC1 896927371 582537948 /nfs/dbraw/zinc/53/79/48/582537948.db2.gz RARGJJGZZWDZLT-SECBINFHSA-N 1 2 198.266 0.752 20 0 ACADLO CONC(=O)C[NH2+][C@H]1CC[C@H]1C 896927919 582537969 /nfs/dbraw/zinc/53/79/69/582537969.db2.gz VKKPDGKQKGKBAQ-RQJHMYQMSA-N 1 2 172.228 0.052 20 0 ACADLO CONC(=O)C[NH2+][C@H]1CC[C@H]1C1CC1 896926669 582538005 /nfs/dbraw/zinc/53/80/05/582538005.db2.gz JUKHYNZLLMBCTL-IUCAKERBSA-N 1 2 198.266 0.442 20 0 ACADLO CC[C@@H](O)C[N@H+](CCO)CC(F)F 231338809 582545208 /nfs/dbraw/zinc/54/52/08/582545208.db2.gz JSDXXHXMUBKWTO-SSDOTTSWSA-N 1 2 197.225 0.317 20 0 ACADLO CC[C@@H](O)C[N@@H+](CCO)CC(F)F 231338809 582545210 /nfs/dbraw/zinc/54/52/10/582545210.db2.gz JSDXXHXMUBKWTO-SSDOTTSWSA-N 1 2 197.225 0.317 20 0 ACADLO Cc1[nH]ncc1C[N@H+]1C[C@H](C)[C@H](O)C1 897685035 582548423 /nfs/dbraw/zinc/54/84/23/582548423.db2.gz ZFWPOGKHTFBKBQ-OIBJUYFYSA-N 1 2 195.266 0.531 20 0 ACADLO Cc1[nH]ncc1C[N@@H+]1C[C@H](C)[C@H](O)C1 897685035 582548426 /nfs/dbraw/zinc/54/84/26/582548426.db2.gz ZFWPOGKHTFBKBQ-OIBJUYFYSA-N 1 2 195.266 0.531 20 0 ACADLO Cc1[nH]ncc1C[N@H+]1C[C@H](C)[C@@H](O)C1 897685037 582548717 /nfs/dbraw/zinc/54/87/17/582548717.db2.gz ZFWPOGKHTFBKBQ-XVKPBYJWSA-N 1 2 195.266 0.531 20 0 ACADLO Cc1[nH]ncc1C[N@@H+]1C[C@H](C)[C@@H](O)C1 897685037 582548719 /nfs/dbraw/zinc/54/87/19/582548719.db2.gz ZFWPOGKHTFBKBQ-XVKPBYJWSA-N 1 2 195.266 0.531 20 0 ACADLO Cc1[nH]ncc1C[N@@H+]1C[C@@H](O)[C@H](C)C1 897685034 582548827 /nfs/dbraw/zinc/54/88/27/582548827.db2.gz ZFWPOGKHTFBKBQ-GMSGAONNSA-N 1 2 195.266 0.531 20 0 ACADLO Cc1[nH]ncc1C[N@H+]1C[C@@H](O)[C@H](C)C1 897685034 582548830 /nfs/dbraw/zinc/54/88/30/582548830.db2.gz ZFWPOGKHTFBKBQ-GMSGAONNSA-N 1 2 195.266 0.531 20 0 ACADLO Cc1[nH]ncc1C[N@H+]1C[C@@H](C)[C@@H](O)C1 897685036 582548984 /nfs/dbraw/zinc/54/89/84/582548984.db2.gz ZFWPOGKHTFBKBQ-XCBNKYQSSA-N 1 2 195.266 0.531 20 0 ACADLO Cc1[nH]ncc1C[N@@H+]1C[C@@H](C)[C@@H](O)C1 897685036 582548986 /nfs/dbraw/zinc/54/89/86/582548986.db2.gz ZFWPOGKHTFBKBQ-XCBNKYQSSA-N 1 2 195.266 0.531 20 0 ACADLO O[C@H](CC[NH2+]Cc1ccn[nH]1)C1CC1 898207035 582551104 /nfs/dbraw/zinc/55/11/04/582551104.db2.gz YSABVRGTNCLZQV-SNVBAGLBSA-N 1 2 195.266 0.660 20 0 ACADLO O[C@@H](CC[NH2+]Cc1ccn[nH]1)C1CC1 898207034 582551368 /nfs/dbraw/zinc/55/13/68/582551368.db2.gz YSABVRGTNCLZQV-JTQLQIEISA-N 1 2 195.266 0.660 20 0 ACADLO CCCNC(=O)Cc1c[nH+]cn1C 379369735 582553046 /nfs/dbraw/zinc/55/30/46/582553046.db2.gz FDFLCNZDWTVUIJ-UHFFFAOYSA-N 1 2 181.239 0.489 20 0 ACADLO CN(C)C(=O)COCc1[nH]cc[nH+]1 379390299 582553510 /nfs/dbraw/zinc/55/35/10/582553510.db2.gz NLYHMGNIXGHOHK-UHFFFAOYSA-N 1 2 183.211 0.015 20 0 ACADLO Cn1c[nH+]c(CNC(=O)N2CCC2)c1 898629351 582555308 /nfs/dbraw/zinc/55/53/08/582555308.db2.gz HONBPZXVRJKCHH-UHFFFAOYSA-N 1 2 194.238 0.335 20 0 ACADLO CON(C)C(=O)NCc1cn(C)c[nH+]1 898620471 582555360 /nfs/dbraw/zinc/55/53/60/582555360.db2.gz OAYITBKMQRTOKN-UHFFFAOYSA-N 1 2 198.226 0.123 20 0 ACADLO CCN(C)C(=O)NCc1cn(C)c[nH+]1 898628959 582555555 /nfs/dbraw/zinc/55/55/55/582555555.db2.gz WZMAKLINSDJLCN-UHFFFAOYSA-N 1 2 196.254 0.581 20 0 ACADLO CCNC(=S)NCc1cn(C)c[nH+]1 899670314 582562958 /nfs/dbraw/zinc/56/29/58/582562958.db2.gz MQJCAJFHPFJTEJ-UHFFFAOYSA-N 1 2 198.295 0.404 20 0 ACADLO CCC1=NN(C2CC[NH2+]CC2)C(=O)C1 899364475 582561564 /nfs/dbraw/zinc/56/15/64/582561564.db2.gz XEYIKFIIQRRCML-UHFFFAOYSA-N 1 2 195.266 0.737 20 0 ACADLO CNC(=S)NCc1cn(C)c[nH+]1 899670800 582562794 /nfs/dbraw/zinc/56/27/94/582562794.db2.gz SRTXXJDWIJHCQN-UHFFFAOYSA-N 1 2 184.268 0.014 20 0 ACADLO CCn1cc(C[N@H+](C)[C@H](C)CO)nn1 899866966 582564919 /nfs/dbraw/zinc/56/49/19/582564919.db2.gz ISKRKXAVRAPQCW-MRVPVSSYSA-N 1 2 198.270 0.111 20 0 ACADLO CCn1cc(C[N@@H+](C)[C@H](C)CO)nn1 899866966 582564920 /nfs/dbraw/zinc/56/49/20/582564920.db2.gz ISKRKXAVRAPQCW-MRVPVSSYSA-N 1 2 198.270 0.111 20 0 ACADLO C[C@@H](NC(=O)Cc1c[nH]c[nH+]1)C1CC1 899981551 582567860 /nfs/dbraw/zinc/56/78/60/582567860.db2.gz ABFOWLZJUQWGAL-SSDOTTSWSA-N 1 2 193.250 0.867 20 0 ACADLO C[C@@H](NC(=O)Cc1c[nH+]c[nH]1)C1CC1 899981551 582567863 /nfs/dbraw/zinc/56/78/63/582567863.db2.gz ABFOWLZJUQWGAL-SSDOTTSWSA-N 1 2 193.250 0.867 20 0 ACADLO C[C@H](NC(=O)Cc1c[nH]c[nH+]1)C1CC1 899981552 582567973 /nfs/dbraw/zinc/56/79/73/582567973.db2.gz ABFOWLZJUQWGAL-ZETCQYMHSA-N 1 2 193.250 0.867 20 0 ACADLO C[C@H](NC(=O)Cc1c[nH+]c[nH]1)C1CC1 899981552 582567976 /nfs/dbraw/zinc/56/79/76/582567976.db2.gz ABFOWLZJUQWGAL-ZETCQYMHSA-N 1 2 193.250 0.867 20 0 ACADLO COC[C@@H](C)NC(=O)Cc1c[nH]c[nH+]1 899936270 582568004 /nfs/dbraw/zinc/56/80/04/582568004.db2.gz RPJKGKVUZKZFOC-SSDOTTSWSA-N 1 2 197.238 0.103 20 0 ACADLO COC[C@@H](C)NC(=O)Cc1c[nH+]c[nH]1 899936270 582568007 /nfs/dbraw/zinc/56/80/07/582568007.db2.gz RPJKGKVUZKZFOC-SSDOTTSWSA-N 1 2 197.238 0.103 20 0 ACADLO CSCCNC(=O)Cc1c[nH]c[nH+]1 899970186 582568082 /nfs/dbraw/zinc/56/80/82/582568082.db2.gz SRBVNQIWXSTIHU-UHFFFAOYSA-N 1 2 199.279 0.431 20 0 ACADLO CSCCNC(=O)Cc1c[nH+]c[nH]1 899970186 582568084 /nfs/dbraw/zinc/56/80/84/582568084.db2.gz SRBVNQIWXSTIHU-UHFFFAOYSA-N 1 2 199.279 0.431 20 0 ACADLO COC[C@H](C)NC(=O)Cc1c[nH]c[nH+]1 899936272 582568098 /nfs/dbraw/zinc/56/80/98/582568098.db2.gz RPJKGKVUZKZFOC-ZETCQYMHSA-N 1 2 197.238 0.103 20 0 ACADLO COC[C@H](C)NC(=O)Cc1c[nH+]c[nH]1 899936272 582568099 /nfs/dbraw/zinc/56/80/99/582568099.db2.gz RPJKGKVUZKZFOC-ZETCQYMHSA-N 1 2 197.238 0.103 20 0 ACADLO CCN(C(=O)Cc1c[nH+]c[nH]1)C1CC1 900105600 582569509 /nfs/dbraw/zinc/56/95/09/582569509.db2.gz UDSKQGZDAQXESY-UHFFFAOYSA-N 1 2 193.250 0.963 20 0 ACADLO CC(C)N(C)C(=O)Cc1c[nH+]c[nH]1 900117341 582569962 /nfs/dbraw/zinc/56/99/62/582569962.db2.gz CWRVRCDVKGIABQ-UHFFFAOYSA-N 1 2 181.239 0.819 20 0 ACADLO CNc1[nH+]c(C)ccc1C(=O)NOC 900103785 582570060 /nfs/dbraw/zinc/57/00/60/582570060.db2.gz HLKXGAZPERWHFW-UHFFFAOYSA-N 1 2 195.222 0.723 20 0 ACADLO O=C(Cc1c[nH]c[nH+]1)NCC1CC1 900082422 582570073 /nfs/dbraw/zinc/57/00/73/582570073.db2.gz PGHVHPZLHHKIRT-UHFFFAOYSA-N 1 2 179.223 0.478 20 0 ACADLO O=C(Cc1c[nH+]c[nH]1)NCC1CC1 900082422 582570074 /nfs/dbraw/zinc/57/00/74/582570074.db2.gz PGHVHPZLHHKIRT-UHFFFAOYSA-N 1 2 179.223 0.478 20 0 ACADLO CCN(C)C(=O)Cc1c[nH+]c[nH]1 900143445 582570959 /nfs/dbraw/zinc/57/09/59/582570959.db2.gz ISEURZRIYJDVLP-UHFFFAOYSA-N 1 2 167.212 0.431 20 0 ACADLO CN(C(=O)Cc1c[nH+]c[nH]1)C1CC1 900170627 582571030 /nfs/dbraw/zinc/57/10/30/582571030.db2.gz QUDMMQIMXOSOER-UHFFFAOYSA-N 1 2 179.223 0.573 20 0 ACADLO C[C@H]1C[C@@H]1CNC(=O)Cc1c[nH]c[nH+]1 900203795 582571091 /nfs/dbraw/zinc/57/10/91/582571091.db2.gz MKYNHSVBAFFLNS-JGVFFNPUSA-N 1 2 193.250 0.724 20 0 ACADLO C[C@H]1C[C@@H]1CNC(=O)Cc1c[nH+]c[nH]1 900203795 582571094 /nfs/dbraw/zinc/57/10/94/582571094.db2.gz MKYNHSVBAFFLNS-JGVFFNPUSA-N 1 2 193.250 0.724 20 0 ACADLO CN(CC1CC1)C(=O)Cc1c[nH+]c[nH]1 900268788 582571296 /nfs/dbraw/zinc/57/12/96/582571296.db2.gz GBUBWXYKCHSTEB-UHFFFAOYSA-N 1 2 193.250 0.821 20 0 ACADLO O=C(Cc1c[nH]c[nH+]1)NCC1CCC1 900177465 582571527 /nfs/dbraw/zinc/57/15/27/582571527.db2.gz PIRPKWAZWSMKIA-UHFFFAOYSA-N 1 2 193.250 0.869 20 0 ACADLO O=C(Cc1c[nH+]c[nH]1)NCC1CCC1 900177465 582571529 /nfs/dbraw/zinc/57/15/29/582571529.db2.gz PIRPKWAZWSMKIA-UHFFFAOYSA-N 1 2 193.250 0.869 20 0 ACADLO C[C@@H]1C[C@H]1CNC(=O)Cc1c[nH]c[nH+]1 900203796 582571687 /nfs/dbraw/zinc/57/16/87/582571687.db2.gz MKYNHSVBAFFLNS-SFYZADRCSA-N 1 2 193.250 0.724 20 0 ACADLO C[C@@H]1C[C@H]1CNC(=O)Cc1c[nH+]c[nH]1 900203796 582571690 /nfs/dbraw/zinc/57/16/90/582571690.db2.gz MKYNHSVBAFFLNS-SFYZADRCSA-N 1 2 193.250 0.724 20 0 ACADLO C[C@@H]1C[C@@H]1CNC(=O)Cc1c[nH]c[nH+]1 900203794 582571748 /nfs/dbraw/zinc/57/17/48/582571748.db2.gz MKYNHSVBAFFLNS-HTQZYQBOSA-N 1 2 193.250 0.724 20 0 ACADLO C[C@@H]1C[C@@H]1CNC(=O)Cc1c[nH+]c[nH]1 900203794 582571749 /nfs/dbraw/zinc/57/17/49/582571749.db2.gz MKYNHSVBAFFLNS-HTQZYQBOSA-N 1 2 193.250 0.724 20 0 ACADLO C[C@H]1C[C@H]1CNC(=O)Cc1c[nH]c[nH+]1 900203797 582571761 /nfs/dbraw/zinc/57/17/61/582571761.db2.gz MKYNHSVBAFFLNS-YUMQZZPRSA-N 1 2 193.250 0.724 20 0 ACADLO C[C@H]1C[C@H]1CNC(=O)Cc1c[nH+]c[nH]1 900203797 582571762 /nfs/dbraw/zinc/57/17/62/582571762.db2.gz MKYNHSVBAFFLNS-YUMQZZPRSA-N 1 2 193.250 0.724 20 0 ACADLO CCOCCNC(=O)Cc1c[nH]c[nH+]1 900242641 582571779 /nfs/dbraw/zinc/57/17/79/582571779.db2.gz BTFBFHUYDXKTHU-UHFFFAOYSA-N 1 2 197.238 0.105 20 0 ACADLO CCOCCNC(=O)Cc1c[nH+]c[nH]1 900242641 582571780 /nfs/dbraw/zinc/57/17/80/582571780.db2.gz BTFBFHUYDXKTHU-UHFFFAOYSA-N 1 2 197.238 0.105 20 0 ACADLO COCCN(C)C(=O)Cc1c[nH+]c[nH]1 900299152 582572416 /nfs/dbraw/zinc/57/24/16/582572416.db2.gz NABLPVCZTRFTOL-UHFFFAOYSA-N 1 2 197.238 0.057 20 0 ACADLO CCCN(C)C(=O)Cc1c[nH+]c[nH]1 900426630 582572978 /nfs/dbraw/zinc/57/29/78/582572978.db2.gz GQJRLJWTZUTWKT-UHFFFAOYSA-N 1 2 181.239 0.821 20 0 ACADLO C[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 900485498 582573805 /nfs/dbraw/zinc/57/38/05/582573805.db2.gz UDVCVLYCBWROMI-QMMMGPOBSA-N 1 2 193.250 0.821 20 0 ACADLO C[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 900485497 582573931 /nfs/dbraw/zinc/57/39/31/582573931.db2.gz UDVCVLYCBWROMI-MRVPVSSYSA-N 1 2 193.250 0.821 20 0 ACADLO CC1(C)CCN1C(=O)Cc1c[nH+]c[nH]1 900787613 582576656 /nfs/dbraw/zinc/57/66/56/582576656.db2.gz OQPSXUPXJFXVTN-UHFFFAOYSA-N 1 2 193.250 0.963 20 0 ACADLO O=C(Cc1c[nH]c[nH+]1)NC1CCC1 900616488 582575184 /nfs/dbraw/zinc/57/51/84/582575184.db2.gz JJRIEHUTQJUMPN-UHFFFAOYSA-N 1 2 179.223 0.621 20 0 ACADLO O=C(Cc1c[nH+]c[nH]1)NC1CCC1 900616488 582575186 /nfs/dbraw/zinc/57/51/86/582575186.db2.gz JJRIEHUTQJUMPN-UHFFFAOYSA-N 1 2 179.223 0.621 20 0 ACADLO CN(C(=O)Cc1c[nH+]c[nH]1)C1CCC1 900853379 582577043 /nfs/dbraw/zinc/57/70/43/582577043.db2.gz FBKVJOXMBRISNU-UHFFFAOYSA-N 1 2 193.250 0.963 20 0 ACADLO O=C(Cc1c[nH]c[nH+]1)NCC(F)F 900906323 582577421 /nfs/dbraw/zinc/57/74/21/582577421.db2.gz JYHNFUMVYLGPTC-UHFFFAOYSA-N 1 2 189.165 0.334 20 0 ACADLO O=C(Cc1c[nH+]c[nH]1)NCC(F)F 900906323 582577424 /nfs/dbraw/zinc/57/74/24/582577424.db2.gz JYHNFUMVYLGPTC-UHFFFAOYSA-N 1 2 189.165 0.334 20 0 ACADLO O=C(Cc1c[nH]c[nH+]1)NCCC1CC1 900865970 582577615 /nfs/dbraw/zinc/57/76/15/582577615.db2.gz BQJPJEUJEMUYMZ-UHFFFAOYSA-N 1 2 193.250 0.869 20 0 ACADLO O=C(Cc1c[nH+]c[nH]1)NCCC1CC1 900865970 582577617 /nfs/dbraw/zinc/57/76/17/582577617.db2.gz BQJPJEUJEMUYMZ-UHFFFAOYSA-N 1 2 193.250 0.869 20 0 ACADLO CC1CC(NC(=O)Cc2c[nH]c[nH+]2)C1 900930173 582577677 /nfs/dbraw/zinc/57/76/77/582577677.db2.gz LERGCJVHPBUJKI-UHFFFAOYSA-N 1 2 193.250 0.867 20 0 ACADLO CC1CC(NC(=O)Cc2c[nH+]c[nH]2)C1 900930173 582577679 /nfs/dbraw/zinc/57/76/79/582577679.db2.gz LERGCJVHPBUJKI-UHFFFAOYSA-N 1 2 193.250 0.867 20 0 ACADLO CC1(CNC(=O)Cc2c[nH]c[nH+]2)CC1 900940849 582578163 /nfs/dbraw/zinc/57/81/63/582578163.db2.gz IQPMOYIWGCNINK-UHFFFAOYSA-N 1 2 193.250 0.869 20 0 ACADLO CC1(CNC(=O)Cc2c[nH+]c[nH]2)CC1 900940849 582578164 /nfs/dbraw/zinc/57/81/64/582578164.db2.gz IQPMOYIWGCNINK-UHFFFAOYSA-N 1 2 193.250 0.869 20 0 ACADLO Cc1[nH]c(CNC(=O)[C@@H](C)O)[nH+]c1C 900996582 582578302 /nfs/dbraw/zinc/57/83/02/582578302.db2.gz GFZCAUKQKMYNMM-SSDOTTSWSA-N 1 2 197.238 0.024 20 0 ACADLO Cc1[nH]c(CNC(=O)[C@H](C)O)[nH+]c1C 900996583 582578304 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/nfs/dbraw/zinc/68/24/06/582682406.db2.gz KYHTXDPIIJHTKN-VIFPVBQESA-N 1 2 196.254 0.416 20 0 ACADLO CO[C@H]1CCC[N@@H+](Cc2cnn[nH]2)C1 734786498 582682407 /nfs/dbraw/zinc/68/24/07/582682407.db2.gz KYHTXDPIIJHTKN-VIFPVBQESA-N 1 2 196.254 0.416 20 0 ACADLO CO[C@H]1CCC[N@H+](Cc2c[nH]nn2)C1 734786498 582682408 /nfs/dbraw/zinc/68/24/08/582682408.db2.gz KYHTXDPIIJHTKN-VIFPVBQESA-N 1 2 196.254 0.416 20 0 ACADLO CO[C@H]1CCC[N@@H+](Cc2c[nH]nn2)C1 734786498 582682409 /nfs/dbraw/zinc/68/24/09/582682409.db2.gz KYHTXDPIIJHTKN-VIFPVBQESA-N 1 2 196.254 0.416 20 0 ACADLO CO[C@H]1CCC[N@H+](Cc2cn[nH]n2)C1 734786498 582682410 /nfs/dbraw/zinc/68/24/10/582682410.db2.gz KYHTXDPIIJHTKN-VIFPVBQESA-N 1 2 196.254 0.416 20 0 ACADLO CO[C@H]1CCC[N@@H+](Cc2cn[nH]n2)C1 734786498 582682411 /nfs/dbraw/zinc/68/24/11/582682411.db2.gz KYHTXDPIIJHTKN-VIFPVBQESA-N 1 2 196.254 0.416 20 0 ACADLO CO[C@@H]1CCC[N@H+](Cc2cnn[nH]2)C1 734786497 582682454 /nfs/dbraw/zinc/68/24/54/582682454.db2.gz KYHTXDPIIJHTKN-SECBINFHSA-N 1 2 196.254 0.416 20 0 ACADLO CO[C@@H]1CCC[N@@H+](Cc2cnn[nH]2)C1 734786497 582682456 /nfs/dbraw/zinc/68/24/56/582682456.db2.gz KYHTXDPIIJHTKN-SECBINFHSA-N 1 2 196.254 0.416 20 0 ACADLO CO[C@@H]1CCC[N@H+](Cc2c[nH]nn2)C1 734786497 582682458 /nfs/dbraw/zinc/68/24/58/582682458.db2.gz KYHTXDPIIJHTKN-SECBINFHSA-N 1 2 196.254 0.416 20 0 ACADLO CO[C@@H]1CCC[N@@H+](Cc2c[nH]nn2)C1 734786497 582682461 /nfs/dbraw/zinc/68/24/61/582682461.db2.gz KYHTXDPIIJHTKN-SECBINFHSA-N 1 2 196.254 0.416 20 0 ACADLO CO[C@@H]1CCC[N@H+](Cc2cn[nH]n2)C1 734786497 582682463 /nfs/dbraw/zinc/68/24/63/582682463.db2.gz KYHTXDPIIJHTKN-SECBINFHSA-N 1 2 196.254 0.416 20 0 ACADLO CO[C@@H]1CCC[N@@H+](Cc2cn[nH]n2)C1 734786497 582682467 /nfs/dbraw/zinc/68/24/67/582682467.db2.gz KYHTXDPIIJHTKN-SECBINFHSA-N 1 2 196.254 0.416 20 0 ACADLO COC[C@@H]1CC[N@H+](Cc2cnn[nH]2)C1 734783818 582682558 /nfs/dbraw/zinc/68/25/58/582682558.db2.gz UKZIMXITYCJSSR-MRVPVSSYSA-N 1 2 196.254 0.273 20 0 ACADLO COC[C@@H]1CC[N@@H+](Cc2cnn[nH]2)C1 734783818 582682560 /nfs/dbraw/zinc/68/25/60/582682560.db2.gz UKZIMXITYCJSSR-MRVPVSSYSA-N 1 2 196.254 0.273 20 0 ACADLO COC[C@@H]1CC[N@H+](Cc2c[nH]nn2)C1 734783818 582682562 /nfs/dbraw/zinc/68/25/62/582682562.db2.gz UKZIMXITYCJSSR-MRVPVSSYSA-N 1 2 196.254 0.273 20 0 ACADLO COC[C@@H]1CC[N@@H+](Cc2c[nH]nn2)C1 734783818 582682564 /nfs/dbraw/zinc/68/25/64/582682564.db2.gz UKZIMXITYCJSSR-MRVPVSSYSA-N 1 2 196.254 0.273 20 0 ACADLO COC[C@@H]1CC[N@@H+](Cc2cn[nH]n2)C1 734783818 582682568 /nfs/dbraw/zinc/68/25/68/582682568.db2.gz UKZIMXITYCJSSR-MRVPVSSYSA-N 1 2 196.254 0.273 20 0 ACADLO CCS(=O)(=O)CC[N@H+](C)C1CC1 735671614 582685244 /nfs/dbraw/zinc/68/52/44/582685244.db2.gz VNJWMYRTUTWKKC-UHFFFAOYSA-N 1 2 191.296 0.515 20 0 ACADLO CCS(=O)(=O)CC[N@@H+](C)C1CC1 735671614 582685247 /nfs/dbraw/zinc/68/52/47/582685247.db2.gz VNJWMYRTUTWKKC-UHFFFAOYSA-N 1 2 191.296 0.515 20 0 ACADLO CCS(=O)(=O)CC[NH+]1CCC1 735670497 582685280 /nfs/dbraw/zinc/68/52/80/582685280.db2.gz JBVKGWABCYQYBV-UHFFFAOYSA-N 1 2 177.269 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CCCONC(=O)CCc1c[nH]c[nH+]1 844087946 583139245 /nfs/dbraw/zinc/13/92/45/583139245.db2.gz HWOLWHNEZFUBQG-UHFFFAOYSA-N 1 2 197.238 0.800 20 0 ACADLO CCCONC(=O)Cc1c[nH+]cn1C 844088553 583139358 /nfs/dbraw/zinc/13/93/58/583139358.db2.gz VUJJEHDEEKKVIL-UHFFFAOYSA-N 1 2 197.238 0.420 20 0 ACADLO C[C@@H](CCO)[N@H+](C)Cc1cnn(C)n1 844446331 583141447 /nfs/dbraw/zinc/14/14/47/583141447.db2.gz CHXNDKOVGZPTJE-QMMMGPOBSA-N 1 2 198.270 0.018 20 0 ACADLO C[C@@H](CCO)[N@@H+](C)Cc1cnn(C)n1 844446331 583141449 /nfs/dbraw/zinc/14/14/49/583141449.db2.gz CHXNDKOVGZPTJE-QMMMGPOBSA-N 1 2 198.270 0.018 20 0 ACADLO C[C@H](CCO)[N@H+](C)Cc1cnn(C)n1 844446330 583141626 /nfs/dbraw/zinc/14/16/26/583141626.db2.gz CHXNDKOVGZPTJE-MRVPVSSYSA-N 1 2 198.270 0.018 20 0 ACADLO C[C@H](CCO)[N@@H+](C)Cc1cnn(C)n1 844446330 583141629 /nfs/dbraw/zinc/14/16/29/583141629.db2.gz CHXNDKOVGZPTJE-MRVPVSSYSA-N 1 2 198.270 0.018 20 0 ACADLO Cc1nonc1C[N@@H+](C)[C@H](C)CCO 844446391 583141679 /nfs/dbraw/zinc/14/16/79/583141679.db2.gz DAHCSNVOGXFPJF-SSDOTTSWSA-N 1 2 199.254 0.581 20 0 ACADLO Cc1nonc1C[N@H+](C)[C@H](C)CCO 844446391 583141682 /nfs/dbraw/zinc/14/16/82/583141682.db2.gz DAHCSNVOGXFPJF-SSDOTTSWSA-N 1 2 199.254 0.581 20 0 ACADLO Cc1nonc1C[N@@H+](C)[C@@H](C)CCO 844446392 583142096 /nfs/dbraw/zinc/14/20/96/583142096.db2.gz DAHCSNVOGXFPJF-ZETCQYMHSA-N 1 2 199.254 0.581 20 0 ACADLO Cc1nonc1C[N@H+](C)[C@@H](C)CCO 844446392 583142098 /nfs/dbraw/zinc/14/20/98/583142098.db2.gz DAHCSNVOGXFPJF-ZETCQYMHSA-N 1 2 199.254 0.581 20 0 ACADLO CCONC(=O)C[C@H](C)n1cc[nH+]c1 845141640 583148389 /nfs/dbraw/zinc/14/83/89/583148389.db2.gz UDACGVLSBMRKGR-QMMMGPOBSA-N 1 2 197.238 0.902 20 0 ACADLO CONC(=O)C[C@@H](C)n1cc[nH+]c1 845155781 583148500 /nfs/dbraw/zinc/14/85/00/583148500.db2.gz SGYGTSTZWFPKJB-SSDOTTSWSA-N 1 2 183.211 0.512 20 0 ACADLO CONC(=O)C[C@H](C)n1cc[nH+]c1 845155784 583148540 /nfs/dbraw/zinc/14/85/40/583148540.db2.gz SGYGTSTZWFPKJB-ZETCQYMHSA-N 1 2 183.211 0.512 20 0 ACADLO CCONC(=O)C[C@@H](C)n1cc[nH+]c1 845141639 583148776 /nfs/dbraw/zinc/14/87/76/583148776.db2.gz UDACGVLSBMRKGR-MRVPVSSYSA-N 1 2 197.238 0.902 20 0 ACADLO CON(C)C(=O)C[C@@H](C)n1cc[nH+]c1 845142700 583148821 /nfs/dbraw/zinc/14/88/21/583148821.db2.gz UTSRXKLLIWXXFB-MRVPVSSYSA-N 1 2 197.238 0.854 20 0 ACADLO CON(C)C(=O)C[C@H](C)n1cc[nH+]c1 845142701 583148943 /nfs/dbraw/zinc/14/89/43/583148943.db2.gz UTSRXKLLIWXXFB-QMMMGPOBSA-N 1 2 197.238 0.854 20 0 ACADLO C[C@H](CC(=O)OCCO)n1cc[nH+]c1 845278491 583149601 /nfs/dbraw/zinc/14/96/01/583149601.db2.gz PIHKPTVMNJDABN-MRVPVSSYSA-N 1 2 198.222 0.370 20 0 ACADLO C[C@@H](CC(=O)OCCO)n1cc[nH+]c1 845278493 583149266 /nfs/dbraw/zinc/14/92/66/583149266.db2.gz PIHKPTVMNJDABN-QMMMGPOBSA-N 1 2 198.222 0.370 20 0 ACADLO CCONC(=O)C[NH2+]C[C@@H]1C[C@@H]1C 846090505 583152837 /nfs/dbraw/zinc/15/28/37/583152837.db2.gz BNDLMXWUAQCKIB-YUMQZZPRSA-N 1 2 186.255 0.300 20 0 ACADLO CCONC(=O)C[NH2+]C[C@H](C)CC 846088796 583152840 /nfs/dbraw/zinc/15/28/40/583152840.db2.gz LEMSZDSUHDYBNE-MRVPVSSYSA-N 1 2 188.271 0.690 20 0 ACADLO CCONC(=O)C[NH2+]C[C@@H](C)CC 846088797 583152888 /nfs/dbraw/zinc/15/28/88/583152888.db2.gz LEMSZDSUHDYBNE-QMMMGPOBSA-N 1 2 188.271 0.690 20 0 ACADLO CCONC(=O)C[NH2+]C1CC(C)C1 846090640 583153026 /nfs/dbraw/zinc/15/30/26/583153026.db2.gz CHLNSPJRDUNZJT-UHFFFAOYSA-N 1 2 186.255 0.442 20 0 ACADLO CCONC(=O)C[NH2+]C[C@H]1C[C@@H]1C 846090503 583153059 /nfs/dbraw/zinc/15/30/59/583153059.db2.gz BNDLMXWUAQCKIB-JGVFFNPUSA-N 1 2 186.255 0.300 20 0 ACADLO CCONC(=O)C[NH2+]C[C@@H]1C[C@H]1C 846090504 583153085 /nfs/dbraw/zinc/15/30/85/583153085.db2.gz BNDLMXWUAQCKIB-SFYZADRCSA-N 1 2 186.255 0.300 20 0 ACADLO CCONC(=O)C[NH2+][C@H]1CC[C@H]1C 846090949 583153139 /nfs/dbraw/zinc/15/31/39/583153139.db2.gz GKNHXBVTAFUKQF-SFYZADRCSA-N 1 2 186.255 0.442 20 0 ACADLO CCONC(=O)C[NH2+][C@H](C)C1CC1 846090173 583153165 /nfs/dbraw/zinc/15/31/65/583153165.db2.gz YNFCQDNSCLMLSS-SSDOTTSWSA-N 1 2 186.255 0.442 20 0 ACADLO CCONC(=O)C[NH2+][C@@H]1CC[C@H]1C 846090947 583153216 /nfs/dbraw/zinc/15/32/16/583153216.db2.gz GKNHXBVTAFUKQF-HTQZYQBOSA-N 1 2 186.255 0.442 20 0 ACADLO CCONC(=O)C[NH2+][C@@H]1CC[C@@H]1C 846090948 583153308 /nfs/dbraw/zinc/15/33/08/583153308.db2.gz GKNHXBVTAFUKQF-JGVFFNPUSA-N 1 2 186.255 0.442 20 0 ACADLO CCONC(=O)C[NH2+][C@H]1CC[C@@H]1C 846090950 583153319 /nfs/dbraw/zinc/15/33/19/583153319.db2.gz GKNHXBVTAFUKQF-YUMQZZPRSA-N 1 2 186.255 0.442 20 0 ACADLO CCONC(=O)C[NH2+][C@@H](C)C1CC1 846090174 583153386 /nfs/dbraw/zinc/15/33/86/583153386.db2.gz YNFCQDNSCLMLSS-ZETCQYMHSA-N 1 2 186.255 0.442 20 0 ACADLO CCONC(=O)C[NH2+]CC1(C)CC1 846084091 583153405 /nfs/dbraw/zinc/15/34/05/583153405.db2.gz BZEMCJQUGVAOFQ-UHFFFAOYSA-N 1 2 186.255 0.444 20 0 ACADLO CCONC(=O)C[NH2+]C[C@H]1C[C@H]1C 846090502 583153435 /nfs/dbraw/zinc/15/34/35/583153435.db2.gz BNDLMXWUAQCKIB-HTQZYQBOSA-N 1 2 186.255 0.300 20 0 ACADLO CN(C)C(=O)NC(C)(C)c1[nH]cc[nH+]1 846245080 583153609 /nfs/dbraw/zinc/15/36/09/583153609.db2.gz DBBHVTYWIZOGLJ-UHFFFAOYSA-N 1 2 196.254 0.916 20 0 ACADLO CC1(C)[C@H](O)C[C@H]1[NH2+][C@H]1CCOC1=O 846962604 583160830 /nfs/dbraw/zinc/16/08/30/583160830.db2.gz UEACBTQCGZCWFI-XLPZGREQSA-N 1 2 199.250 0.051 20 0 ACADLO CC[C@@H]1C[C@H]1NC(=O)Cc1[nH]cc[nH+]1 847047946 583161284 /nfs/dbraw/zinc/16/12/84/583161284.db2.gz JHNFHSDNIICLAC-HTQZYQBOSA-N 1 2 193.250 0.867 20 0 ACADLO CONC(=O)[C@H](C)Cc1c[nH+]c[nH]1 847319369 583162606 /nfs/dbraw/zinc/16/26/06/583162606.db2.gz VJLOIIQNBRNLLM-ZCFIWIBFSA-N 1 2 183.211 0.266 20 0 ACADLO CONC(=O)[C@H](C)Cc1c[nH]c[nH+]1 847319369 583162608 /nfs/dbraw/zinc/16/26/08/583162608.db2.gz VJLOIIQNBRNLLM-ZCFIWIBFSA-N 1 2 183.211 0.266 20 0 ACADLO CCO/C=C\C(=O)NCc1c[nH+]c[nH]1 847516828 583162878 /nfs/dbraw/zinc/16/28/78/583162878.db2.gz XXBSBKYXPUIOSH-ARJAWSKDSA-N 1 2 195.222 0.576 20 0 ACADLO CCOC=CC(=O)NCc1c[nH]c[nH+]1 847516828 583162882 /nfs/dbraw/zinc/16/28/82/583162882.db2.gz XXBSBKYXPUIOSH-ARJAWSKDSA-N 1 2 195.222 0.576 20 0 ACADLO CCO/C=C/C(=O)NCc1c[nH+]c[nH]1 847516829 583162910 /nfs/dbraw/zinc/16/29/10/583162910.db2.gz XXBSBKYXPUIOSH-ONEGZZNKSA-N 1 2 195.222 0.576 20 0 ACADLO CCOC=CC(=O)NCc1c[nH]c[nH+]1 847516829 583162914 /nfs/dbraw/zinc/16/29/14/583162914.db2.gz XXBSBKYXPUIOSH-ONEGZZNKSA-N 1 2 195.222 0.576 20 0 ACADLO CONC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 847319367 583163128 /nfs/dbraw/zinc/16/31/28/583163128.db2.gz VJLOIIQNBRNLLM-LURJTMIESA-N 1 2 183.211 0.266 20 0 ACADLO CONC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 847319367 583163129 /nfs/dbraw/zinc/16/31/29/583163129.db2.gz VJLOIIQNBRNLLM-LURJTMIESA-N 1 2 183.211 0.266 20 0 ACADLO C=C=CCNC(=O)Cc1[nH+]c[nH]c1C 848113924 583165877 /nfs/dbraw/zinc/16/58/77/583165877.db2.gz CJWUELYMXFOLSM-UHFFFAOYSA-N 1 2 191.234 0.718 20 0 ACADLO C=C=CCNC(=O)CCc1c[nH+]c[nH]1 848113936 583166298 /nfs/dbraw/zinc/16/62/98/583166298.db2.gz CUSDAMVUNNLVBX-UHFFFAOYSA-N 1 2 191.234 0.800 20 0 ACADLO C=C=CCNC(=O)CCc1c[nH]c[nH+]1 848113936 583166303 /nfs/dbraw/zinc/16/63/03/583166303.db2.gz CUSDAMVUNNLVBX-UHFFFAOYSA-N 1 2 191.234 0.800 20 0 ACADLO C[NH2+][C@@H](C)C(=O)N=c1sccn1C 848406812 583168355 /nfs/dbraw/zinc/16/83/55/583168355.db2.gz JRVCXFWDMQRUDN-LURJTMIESA-N 1 2 199.279 0.122 20 0 ACADLO c1c[nH+]c(COCc2cnsn2)[nH]1 848435441 583168456 /nfs/dbraw/zinc/16/84/56/583168456.db2.gz SYPTXLSLTGRXPA-UHFFFAOYSA-N 1 2 196.235 0.978 20 0 ACADLO Cc1cc(N[C@@H]2COC(=O)C2)nc[nH+]1 848708745 583170183 /nfs/dbraw/zinc/17/01/83/583170183.db2.gz DZQQGSAJBOMXHO-ZETCQYMHSA-N 1 2 193.206 0.512 20 0 ACADLO O[C@H]1CCC[N@H+](Cc2cnon2)C1 851718071 583189162 /nfs/dbraw/zinc/18/91/62/583189162.db2.gz CWASJMWQZIDHDV-QMMMGPOBSA-N 1 2 183.211 0.026 20 0 ACADLO O[C@H]1CCC[N@@H+](Cc2cnon2)C1 851718071 583189164 /nfs/dbraw/zinc/18/91/64/583189164.db2.gz CWASJMWQZIDHDV-QMMMGPOBSA-N 1 2 183.211 0.026 20 0 ACADLO O[C@@H]1CCC[N@H+](Cc2cnon2)C1 851718070 583189212 /nfs/dbraw/zinc/18/92/12/583189212.db2.gz CWASJMWQZIDHDV-MRVPVSSYSA-N 1 2 183.211 0.026 20 0 ACADLO O[C@@H]1CCC[N@@H+](Cc2cnon2)C1 851718070 583189213 /nfs/dbraw/zinc/18/92/13/583189213.db2.gz CWASJMWQZIDHDV-MRVPVSSYSA-N 1 2 183.211 0.026 20 0 ACADLO OC[C@H]1CCC[N@H+](Cc2cnon2)C1 851720405 583189763 /nfs/dbraw/zinc/18/97/63/583189763.db2.gz IPOWEWXUTRXIRJ-QMMMGPOBSA-N 1 2 197.238 0.274 20 0 ACADLO OC[C@H]1CCC[N@@H+](Cc2cnon2)C1 851720405 583189765 /nfs/dbraw/zinc/18/97/65/583189765.db2.gz IPOWEWXUTRXIRJ-QMMMGPOBSA-N 1 2 197.238 0.274 20 0 ACADLO OC1CC[NH+](Cc2cnon2)CC1 851723189 583190171 /nfs/dbraw/zinc/19/01/71/583190171.db2.gz WCDDPLOOYDOXLF-UHFFFAOYSA-N 1 2 183.211 0.026 20 0 ACADLO OCC1CC[NH+](Cc2cnon2)CC1 851726599 583190219 /nfs/dbraw/zinc/19/02/19/583190219.db2.gz UGIILVHRMZNBQC-UHFFFAOYSA-N 1 2 197.238 0.274 20 0 ACADLO OC[C@@H]1CCC[N@H+](Cc2cnon2)C1 851720404 583190569 /nfs/dbraw/zinc/19/05/69/583190569.db2.gz IPOWEWXUTRXIRJ-MRVPVSSYSA-N 1 2 197.238 0.274 20 0 ACADLO OC[C@@H]1CCC[N@@H+](Cc2cnon2)C1 851720404 583190571 /nfs/dbraw/zinc/19/05/71/583190571.db2.gz IPOWEWXUTRXIRJ-MRVPVSSYSA-N 1 2 197.238 0.274 20 0 ACADLO C[N@H+](CC(N)=O)Cc1cccc(F)n1 851726572 583190590 /nfs/dbraw/zinc/19/05/90/583190590.db2.gz SEJMXEDHKHEIGR-UHFFFAOYSA-N 1 2 197.213 0.138 20 0 ACADLO C[N@@H+](CC(N)=O)Cc1cccc(F)n1 851726572 583190592 /nfs/dbraw/zinc/19/05/92/583190592.db2.gz SEJMXEDHKHEIGR-UHFFFAOYSA-N 1 2 197.213 0.138 20 0 ACADLO c1nonc1C[N@@H+]1CCCOCC1 851739346 583190869 /nfs/dbraw/zinc/19/08/69/583190869.db2.gz JCXVIIMRTHJESW-UHFFFAOYSA-N 1 2 183.211 0.292 20 0 ACADLO c1nonc1C[N@H+]1CCCOCC1 851739346 583190873 /nfs/dbraw/zinc/19/08/73/583190873.db2.gz JCXVIIMRTHJESW-UHFFFAOYSA-N 1 2 183.211 0.292 20 0 ACADLO COCC[N@H+](C)Cc1cnon1 851733410 583190945 /nfs/dbraw/zinc/19/09/45/583190945.db2.gz USMMKCVPPLFUKB-UHFFFAOYSA-N 1 2 171.200 0.148 20 0 ACADLO COCC[N@@H+](C)Cc1cnon1 851733410 583190946 /nfs/dbraw/zinc/19/09/46/583190946.db2.gz USMMKCVPPLFUKB-UHFFFAOYSA-N 1 2 171.200 0.148 20 0 ACADLO OCC[N@H+](Cc1cnon1)C1CC1 851729824 583191278 /nfs/dbraw/zinc/19/12/78/583191278.db2.gz QJJOXIBJEDTYSG-UHFFFAOYSA-N 1 2 183.211 0.026 20 0 ACADLO OCC[N@@H+](Cc1cnon1)C1CC1 851729824 583191282 /nfs/dbraw/zinc/19/12/82/583191282.db2.gz QJJOXIBJEDTYSG-UHFFFAOYSA-N 1 2 183.211 0.026 20 0 ACADLO OC[C@@H]1CCCC[N@@H+]1Cc1cnon1 851729874 583191343 /nfs/dbraw/zinc/19/13/43/583191343.db2.gz QWADEOITHXNRIH-VIFPVBQESA-N 1 2 197.238 0.416 20 0 ACADLO OC[C@@H]1CCCC[N@H+]1Cc1cnon1 851729874 583191345 /nfs/dbraw/zinc/19/13/45/583191345.db2.gz QWADEOITHXNRIH-VIFPVBQESA-N 1 2 197.238 0.416 20 0 ACADLO OC[C@H]1CCCC[N@@H+]1Cc1cnon1 851729872 583191393 /nfs/dbraw/zinc/19/13/93/583191393.db2.gz QWADEOITHXNRIH-SECBINFHSA-N 1 2 197.238 0.416 20 0 ACADLO OC[C@H]1CCCC[N@H+]1Cc1cnon1 851729872 583191394 /nfs/dbraw/zinc/19/13/94/583191394.db2.gz QWADEOITHXNRIH-SECBINFHSA-N 1 2 197.238 0.416 20 0 ACADLO CCC[N@H+](CCO)Cc1cnon1 851729403 583191411 /nfs/dbraw/zinc/19/14/11/583191411.db2.gz MXKQRTXCVBOQHP-UHFFFAOYSA-N 1 2 185.227 0.274 20 0 ACADLO CCC[N@@H+](CCO)Cc1cnon1 851729403 583191414 /nfs/dbraw/zinc/19/14/14/583191414.db2.gz MXKQRTXCVBOQHP-UHFFFAOYSA-N 1 2 185.227 0.274 20 0 ACADLO CC(C)[N@H+](CCO)Cc1cnon1 851734627 583191473 /nfs/dbraw/zinc/19/14/73/583191473.db2.gz VORGSBKFCOKSNE-UHFFFAOYSA-N 1 2 185.227 0.272 20 0 ACADLO CC(C)[N@@H+](CCO)Cc1cnon1 851734627 583191475 /nfs/dbraw/zinc/19/14/75/583191475.db2.gz VORGSBKFCOKSNE-UHFFFAOYSA-N 1 2 185.227 0.272 20 0 ACADLO c1nonc1C[NH+]1CCSCC1 851727434 583191537 /nfs/dbraw/zinc/19/15/37/583191537.db2.gz NCWHOIMCLONDES-UHFFFAOYSA-N 1 2 185.252 0.618 20 0 ACADLO COCCC[N@H+](C)Cc1cnon1 851736944 583191810 /nfs/dbraw/zinc/19/18/10/583191810.db2.gz QJSWTBWTNTXJDP-UHFFFAOYSA-N 1 2 185.227 0.538 20 0 ACADLO COCCC[N@@H+](C)Cc1cnon1 851736944 583191813 /nfs/dbraw/zinc/19/18/13/583191813.db2.gz QJSWTBWTNTXJDP-UHFFFAOYSA-N 1 2 185.227 0.538 20 0 ACADLO C[N@H+](Cc1cnon1)[C@H]1CCOC1 851762216 583192423 /nfs/dbraw/zinc/19/24/23/583192423.db2.gz LXXBYDKJGIDZRT-QMMMGPOBSA-N 1 2 183.211 0.290 20 0 ACADLO C[N@@H+](Cc1cnon1)[C@H]1CCOC1 851762216 583192424 /nfs/dbraw/zinc/19/24/24/583192424.db2.gz LXXBYDKJGIDZRT-QMMMGPOBSA-N 1 2 183.211 0.290 20 0 ACADLO C[C@@H]1C[N@H+](Cc2cnon2)CCCO1 851749417 583192562 /nfs/dbraw/zinc/19/25/62/583192562.db2.gz XYJMIOMDIRQKRG-MRVPVSSYSA-N 1 2 197.238 0.680 20 0 ACADLO C[C@@H]1C[N@@H+](Cc2cnon2)CCCO1 851749417 583192566 /nfs/dbraw/zinc/19/25/66/583192566.db2.gz XYJMIOMDIRQKRG-MRVPVSSYSA-N 1 2 197.238 0.680 20 0 ACADLO CO[C@@H]1CCC[N@H+](Cc2cnon2)C1 851749787 583192687 /nfs/dbraw/zinc/19/26/87/583192687.db2.gz MIMIRTVDMCEDJR-SECBINFHSA-N 1 2 197.238 0.680 20 0 ACADLO CO[C@@H]1CCC[N@@H+](Cc2cnon2)C1 851749787 583192690 /nfs/dbraw/zinc/19/26/90/583192690.db2.gz MIMIRTVDMCEDJR-SECBINFHSA-N 1 2 197.238 0.680 20 0 ACADLO CO[C@H]1CCC[N@H+](Cc2cnon2)C1 851749788 583192795 /nfs/dbraw/zinc/19/27/95/583192795.db2.gz MIMIRTVDMCEDJR-VIFPVBQESA-N 1 2 197.238 0.680 20 0 ACADLO CO[C@H]1CCC[N@@H+](Cc2cnon2)C1 851749788 583192796 /nfs/dbraw/zinc/19/27/96/583192796.db2.gz MIMIRTVDMCEDJR-VIFPVBQESA-N 1 2 197.238 0.680 20 0 ACADLO C[N@H+](Cc1cnon1)[C@@H]1CCOC1 851762215 583193359 /nfs/dbraw/zinc/19/33/59/583193359.db2.gz LXXBYDKJGIDZRT-MRVPVSSYSA-N 1 2 183.211 0.290 20 0 ACADLO C[N@@H+](Cc1cnon1)[C@@H]1CCOC1 851762215 583193360 /nfs/dbraw/zinc/19/33/60/583193360.db2.gz LXXBYDKJGIDZRT-MRVPVSSYSA-N 1 2 183.211 0.290 20 0 ACADLO C[C@H]1C[N@H+](Cc2cnon2)CCCO1 851749418 583193406 /nfs/dbraw/zinc/19/34/06/583193406.db2.gz XYJMIOMDIRQKRG-QMMMGPOBSA-N 1 2 197.238 0.680 20 0 ACADLO C[C@H]1C[N@@H+](Cc2cnon2)CCCO1 851749418 583193407 /nfs/dbraw/zinc/19/34/07/583193407.db2.gz XYJMIOMDIRQKRG-QMMMGPOBSA-N 1 2 197.238 0.680 20 0 ACADLO CCOCC[N@H+](CC)Cc1cnon1 851763267 583193501 /nfs/dbraw/zinc/19/35/01/583193501.db2.gz NNQAPWJFIMJJTN-UHFFFAOYSA-N 1 2 199.254 0.928 20 0 ACADLO CCOCC[N@@H+](CC)Cc1cnon1 851763267 583193503 /nfs/dbraw/zinc/19/35/03/583193503.db2.gz NNQAPWJFIMJJTN-UHFFFAOYSA-N 1 2 199.254 0.928 20 0 ACADLO C[C@@H](O)CC[N@H+](C)Cc1cnon1 851785680 583194001 /nfs/dbraw/zinc/19/40/01/583194001.db2.gz UPVFQACGCCQXAZ-SSDOTTSWSA-N 1 2 185.227 0.272 20 0 ACADLO C[C@@H](O)CC[N@@H+](C)Cc1cnon1 851785680 583194009 /nfs/dbraw/zinc/19/40/09/583194009.db2.gz UPVFQACGCCQXAZ-SSDOTTSWSA-N 1 2 185.227 0.272 20 0 ACADLO CC[N@H+](CCCO)Cc1cnon1 851793154 583194039 /nfs/dbraw/zinc/19/40/39/583194039.db2.gz XHABQOGCTUTHKO-UHFFFAOYSA-N 1 2 185.227 0.274 20 0 ACADLO CC[N@@H+](CCCO)Cc1cnon1 851793154 583194041 /nfs/dbraw/zinc/19/40/41/583194041.db2.gz XHABQOGCTUTHKO-UHFFFAOYSA-N 1 2 185.227 0.274 20 0 ACADLO OCCC[N@H+](Cc1cnon1)C1CC1 851776760 583194317 /nfs/dbraw/zinc/19/43/17/583194317.db2.gz ZYKUSFQEIWYJQS-UHFFFAOYSA-N 1 2 197.238 0.416 20 0 ACADLO OCCC[N@@H+](Cc1cnon1)C1CC1 851776760 583194319 /nfs/dbraw/zinc/19/43/19/583194319.db2.gz ZYKUSFQEIWYJQS-UHFFFAOYSA-N 1 2 197.238 0.416 20 0 ACADLO C[C@H](O)CC[N@H+](C)Cc1cnon1 851785681 583194768 /nfs/dbraw/zinc/19/47/68/583194768.db2.gz UPVFQACGCCQXAZ-ZETCQYMHSA-N 1 2 185.227 0.272 20 0 ACADLO C[C@H](O)CC[N@@H+](C)Cc1cnon1 851785681 583194770 /nfs/dbraw/zinc/19/47/70/583194770.db2.gz UPVFQACGCCQXAZ-ZETCQYMHSA-N 1 2 185.227 0.272 20 0 ACADLO CO[C@H]1CC[N@H+](Cc2cnon2)C1 851798284 583195756 /nfs/dbraw/zinc/19/57/56/583195756.db2.gz BBFRXUBZNVEXTB-QMMMGPOBSA-N 1 2 183.211 0.290 20 0 ACADLO CO[C@H]1CC[N@@H+](Cc2cnon2)C1 851798284 583195759 /nfs/dbraw/zinc/19/57/59/583195759.db2.gz BBFRXUBZNVEXTB-QMMMGPOBSA-N 1 2 183.211 0.290 20 0 ACADLO CO[C@@H]1CC[N@H+](CCc2cnn[nH]2)C1 851800550 583195790 /nfs/dbraw/zinc/19/57/90/583195790.db2.gz KZJTWYXDOKJSDQ-SECBINFHSA-N 1 2 196.254 0.068 20 0 ACADLO CO[C@@H]1CC[N@@H+](CCc2cnn[nH]2)C1 851800550 583195791 /nfs/dbraw/zinc/19/57/91/583195791.db2.gz KZJTWYXDOKJSDQ-SECBINFHSA-N 1 2 196.254 0.068 20 0 ACADLO C[C@@]1(O)CC[N@H+](Cc2cnon2)C1 851800691 583195843 /nfs/dbraw/zinc/19/58/43/583195843.db2.gz OWBZULLQLZSRSD-MRVPVSSYSA-N 1 2 183.211 0.026 20 0 ACADLO C[C@@]1(O)CC[N@@H+](Cc2cnon2)C1 851800691 583195845 /nfs/dbraw/zinc/19/58/45/583195845.db2.gz OWBZULLQLZSRSD-MRVPVSSYSA-N 1 2 183.211 0.026 20 0 ACADLO COC(C)(C)C[N@H+](C)Cc1cnon1 851809706 583196261 /nfs/dbraw/zinc/19/62/61/583196261.db2.gz XSNYISFQZRVSDU-UHFFFAOYSA-N 1 2 199.254 0.926 20 0 ACADLO COC(C)(C)C[N@@H+](C)Cc1cnon1 851809706 583196263 /nfs/dbraw/zinc/19/62/63/583196263.db2.gz XSNYISFQZRVSDU-UHFFFAOYSA-N 1 2 199.254 0.926 20 0 ACADLO C[N@@H+](Cc1cnon1)C[C@@H](O)C1CC1 851803118 583196320 /nfs/dbraw/zinc/19/63/20/583196320.db2.gz OSHAYKADWZGCMD-SECBINFHSA-N 1 2 197.238 0.272 20 0 ACADLO C[N@H+](Cc1cnon1)C[C@@H](O)C1CC1 851803118 583196323 /nfs/dbraw/zinc/19/63/23/583196323.db2.gz OSHAYKADWZGCMD-SECBINFHSA-N 1 2 197.238 0.272 20 0 ACADLO CC1(O)CC[NH+](Cc2cnon2)CC1 851810227 583196361 /nfs/dbraw/zinc/19/63/61/583196361.db2.gz ZDRMBHOXMKSKGB-UHFFFAOYSA-N 1 2 197.238 0.416 20 0 ACADLO C[N@@H+](Cc1cnon1)C[C@H](O)C1CC1 851803119 583196537 /nfs/dbraw/zinc/19/65/37/583196537.db2.gz OSHAYKADWZGCMD-VIFPVBQESA-N 1 2 197.238 0.272 20 0 ACADLO C[N@H+](Cc1cnon1)C[C@H](O)C1CC1 851803119 583196540 /nfs/dbraw/zinc/19/65/40/583196540.db2.gz OSHAYKADWZGCMD-VIFPVBQESA-N 1 2 197.238 0.272 20 0 ACADLO CO[C@@H]1CC[N@H+](Cc2cnon2)C1 851799531 583196566 /nfs/dbraw/zinc/19/65/66/583196566.db2.gz BBFRXUBZNVEXTB-MRVPVSSYSA-N 1 2 183.211 0.290 20 0 ACADLO CO[C@@H]1CC[N@@H+](Cc2cnon2)C1 851799531 583196569 /nfs/dbraw/zinc/19/65/69/583196569.db2.gz BBFRXUBZNVEXTB-MRVPVSSYSA-N 1 2 183.211 0.290 20 0 ACADLO Cn1cnc(Cn2cc[nH+]c2)c1 851820480 583196646 /nfs/dbraw/zinc/19/66/46/583196646.db2.gz BIHYGJGBHQMXDZ-UHFFFAOYSA-N 1 2 162.196 0.665 20 0 ACADLO C[C@]1(O)CC[N@H+](Cc2cnon2)C1 851800692 583196695 /nfs/dbraw/zinc/19/66/95/583196695.db2.gz OWBZULLQLZSRSD-QMMMGPOBSA-N 1 2 183.211 0.026 20 0 ACADLO C[C@]1(O)CC[N@@H+](Cc2cnon2)C1 851800692 583196697 /nfs/dbraw/zinc/19/66/97/583196697.db2.gz OWBZULLQLZSRSD-QMMMGPOBSA-N 1 2 183.211 0.026 20 0 ACADLO CN(Cc1cnon1)Cc1[nH]cc[nH+]1 851873682 583197485 /nfs/dbraw/zinc/19/74/85/583197485.db2.gz JEWIZKUXQMPVMQ-UHFFFAOYSA-N 1 2 193.210 0.425 20 0 ACADLO CN(Cc1[nH]cc[nH+]1)CC1OCCO1 851873865 583197597 /nfs/dbraw/zinc/19/75/97/583197597.db2.gz RHFKOTHXRYKJDL-UHFFFAOYSA-N 1 2 197.238 0.214 20 0 ACADLO C[C@@H]1COCC[N@H+](Cc2cnon2)C1 851865473 583197964 /nfs/dbraw/zinc/19/79/64/583197964.db2.gz FBHZEKRWIQYUFE-QMMMGPOBSA-N 1 2 197.238 0.538 20 0 ACADLO C[C@@H]1COCC[N@@H+](Cc2cnon2)C1 851865473 583197967 /nfs/dbraw/zinc/19/79/67/583197967.db2.gz FBHZEKRWIQYUFE-QMMMGPOBSA-N 1 2 197.238 0.538 20 0 ACADLO C[C@H]1COCCC[N@@H+]1Cc1cnon1 851862375 583197996 /nfs/dbraw/zinc/19/79/96/583197996.db2.gz YRNGMJQHCOVKGH-QMMMGPOBSA-N 1 2 197.238 0.680 20 0 ACADLO C[C@H]1COCCC[N@H+]1Cc1cnon1 851862375 583197999 /nfs/dbraw/zinc/19/79/99/583197999.db2.gz YRNGMJQHCOVKGH-QMMMGPOBSA-N 1 2 197.238 0.680 20 0 ACADLO C[C@H]1COCC[N@H+](Cc2cnon2)C1 851865472 583198237 /nfs/dbraw/zinc/19/82/37/583198237.db2.gz FBHZEKRWIQYUFE-MRVPVSSYSA-N 1 2 197.238 0.538 20 0 ACADLO C[C@H]1COCC[N@@H+](Cc2cnon2)C1 851865472 583198239 /nfs/dbraw/zinc/19/82/39/583198239.db2.gz FBHZEKRWIQYUFE-MRVPVSSYSA-N 1 2 197.238 0.538 20 0 ACADLO C[C@@H]1COCCC[N@@H+]1Cc1cnon1 851862374 583198286 /nfs/dbraw/zinc/19/82/86/583198286.db2.gz YRNGMJQHCOVKGH-MRVPVSSYSA-N 1 2 197.238 0.680 20 0 ACADLO C[C@@H]1COCCC[N@H+]1Cc1cnon1 851862374 583198288 /nfs/dbraw/zinc/19/82/88/583198288.db2.gz YRNGMJQHCOVKGH-MRVPVSSYSA-N 1 2 197.238 0.680 20 0 ACADLO C[C@@H]1C[C@H](O)C[N@@H+]1Cc1cnon1 851882424 583198644 /nfs/dbraw/zinc/19/86/44/583198644.db2.gz XIINLGVBBBRKRI-SVRRBLITSA-N 1 2 183.211 0.025 20 0 ACADLO CCOCC[N@H+](C)Cc1cnon1 851890740 583198474 /nfs/dbraw/zinc/19/84/74/583198474.db2.gz VWYCZUFOVYEFMQ-UHFFFAOYSA-N 1 2 185.227 0.538 20 0 ACADLO CCOCC[N@@H+](C)Cc1cnon1 851890740 583198479 /nfs/dbraw/zinc/19/84/79/583198479.db2.gz VWYCZUFOVYEFMQ-UHFFFAOYSA-N 1 2 185.227 0.538 20 0 ACADLO C[C@@H]1C[C@H](O)C[N@H+]1Cc1cnon1 851882424 583198648 /nfs/dbraw/zinc/19/86/48/583198648.db2.gz XIINLGVBBBRKRI-SVRRBLITSA-N 1 2 183.211 0.025 20 0 ACADLO C[C@H]1CCOCC[N@@H+]1Cc1cnon1 851907833 583198680 /nfs/dbraw/zinc/19/86/80/583198680.db2.gz YEXUJDMUJPIEGM-QMMMGPOBSA-N 1 2 197.238 0.680 20 0 ACADLO C[C@H]1CCOCC[N@H+]1Cc1cnon1 851907833 583198683 /nfs/dbraw/zinc/19/86/83/583198683.db2.gz YEXUJDMUJPIEGM-QMMMGPOBSA-N 1 2 197.238 0.680 20 0 ACADLO C[C@H]1C[C@@H](O)C[N@@H+]1Cc1cnon1 851882423 583198874 /nfs/dbraw/zinc/19/88/74/583198874.db2.gz XIINLGVBBBRKRI-POYBYMJQSA-N 1 2 183.211 0.025 20 0 ACADLO C[C@H]1C[C@@H](O)C[N@H+]1Cc1cnon1 851882423 583198875 /nfs/dbraw/zinc/19/88/75/583198875.db2.gz XIINLGVBBBRKRI-POYBYMJQSA-N 1 2 183.211 0.025 20 0 ACADLO C[C@@H]1C[C@@H](O)C[N@@H+]1Cc1cnon1 851882422 583198902 /nfs/dbraw/zinc/19/89/02/583198902.db2.gz XIINLGVBBBRKRI-HTRCEHHLSA-N 1 2 183.211 0.025 20 0 ACADLO C[C@@H]1C[C@@H](O)C[N@H+]1Cc1cnon1 851882422 583198903 /nfs/dbraw/zinc/19/89/03/583198903.db2.gz XIINLGVBBBRKRI-HTRCEHHLSA-N 1 2 183.211 0.025 20 0 ACADLO C[C@]1(O)CCC[N@H+](Cc2cnon2)C1 851885856 583198915 /nfs/dbraw/zinc/19/89/15/583198915.db2.gz MQJBKIXZAQWZEY-VIFPVBQESA-N 1 2 197.238 0.416 20 0 ACADLO C[C@]1(O)CCC[N@@H+](Cc2cnon2)C1 851885856 583198916 /nfs/dbraw/zinc/19/89/16/583198916.db2.gz MQJBKIXZAQWZEY-VIFPVBQESA-N 1 2 197.238 0.416 20 0 ACADLO C1=CC[N@H+](Cc2cnon2)CC1 851909992 583198919 /nfs/dbraw/zinc/19/89/19/583198919.db2.gz LCWHWMDBUWXFQR-UHFFFAOYSA-N 1 2 165.196 0.832 20 0 ACADLO C1=CC[N@@H+](Cc2cnon2)CC1 851909992 583198920 /nfs/dbraw/zinc/19/89/20/583198920.db2.gz LCWHWMDBUWXFQR-UHFFFAOYSA-N 1 2 165.196 0.832 20 0 ACADLO C[C@@H]1CCOCC[N@@H+]1Cc1cnon1 851907830 583199122 /nfs/dbraw/zinc/19/91/22/583199122.db2.gz YEXUJDMUJPIEGM-MRVPVSSYSA-N 1 2 197.238 0.680 20 0 ACADLO C[C@@H]1CCOCC[N@H+]1Cc1cnon1 851907830 583199126 /nfs/dbraw/zinc/19/91/26/583199126.db2.gz YEXUJDMUJPIEGM-MRVPVSSYSA-N 1 2 197.238 0.680 20 0 ACADLO C[C@@]1(O)CCC[N@H+](Cc2cnon2)C1 851885855 583199219 /nfs/dbraw/zinc/19/92/19/583199219.db2.gz MQJBKIXZAQWZEY-SECBINFHSA-N 1 2 197.238 0.416 20 0 ACADLO C[C@@]1(O)CCC[N@@H+](Cc2cnon2)C1 851885855 583199221 /nfs/dbraw/zinc/19/92/21/583199221.db2.gz MQJBKIXZAQWZEY-SECBINFHSA-N 1 2 197.238 0.416 20 0 ACADLO C[C@H]1C[C@H](O)C[N@@H+]1Cc1cnon1 851882425 583199446 /nfs/dbraw/zinc/19/94/46/583199446.db2.gz XIINLGVBBBRKRI-XPUUQOCRSA-N 1 2 183.211 0.025 20 0 ACADLO C[C@H]1C[C@H](O)C[N@H+]1Cc1cnon1 851882425 583199449 /nfs/dbraw/zinc/19/94/49/583199449.db2.gz XIINLGVBBBRKRI-XPUUQOCRSA-N 1 2 183.211 0.025 20 0 ACADLO C[N@H+](Cc1cnon1)C1CC(O)C1 851935461 583199927 /nfs/dbraw/zinc/19/99/27/583199927.db2.gz VXRQELRQYXNDEP-UHFFFAOYSA-N 1 2 183.211 0.025 20 0 ACADLO C[N@@H+](Cc1cnon1)C1CC(O)C1 851935461 583199931 /nfs/dbraw/zinc/19/99/31/583199931.db2.gz VXRQELRQYXNDEP-UHFFFAOYSA-N 1 2 183.211 0.025 20 0 ACADLO C[C@H]1C[N@H+](Cc2cnon2)CC[C@@H]1O 851956010 583201703 /nfs/dbraw/zinc/20/17/03/583201703.db2.gz AODVLDVFAQUFBB-CBAPKCEASA-N 1 2 197.238 0.272 20 0 ACADLO CCONC(=O)N(C)Cc1c[nH+]c[nH]1 851918494 583200280 /nfs/dbraw/zinc/20/02/80/583200280.db2.gz GTPQSVJURWHPEY-UHFFFAOYSA-N 1 2 198.226 0.503 20 0 ACADLO CCONC(=O)N(C)Cc1c[nH]c[nH+]1 851918494 583200282 /nfs/dbraw/zinc/20/02/82/583200282.db2.gz GTPQSVJURWHPEY-UHFFFAOYSA-N 1 2 198.226 0.503 20 0 ACADLO C[C@@H]1C[N@H+](Cc2cnon2)CC[C@@H]1O 851956008 583201375 /nfs/dbraw/zinc/20/13/75/583201375.db2.gz AODVLDVFAQUFBB-APPZFPTMSA-N 1 2 197.238 0.272 20 0 ACADLO C[C@@H]1C[N@@H+](Cc2cnon2)CC[C@@H]1O 851956008 583201378 /nfs/dbraw/zinc/20/13/78/583201378.db2.gz AODVLDVFAQUFBB-APPZFPTMSA-N 1 2 197.238 0.272 20 0 ACADLO C[C@H]1C[N@H+](Cc2cnon2)CC[C@H]1O 851956012 583201453 /nfs/dbraw/zinc/20/14/53/583201453.db2.gz AODVLDVFAQUFBB-IONNQARKSA-N 1 2 197.238 0.272 20 0 ACADLO C[C@H]1C[N@@H+](Cc2cnon2)CC[C@H]1O 851956012 583201454 /nfs/dbraw/zinc/20/14/54/583201454.db2.gz AODVLDVFAQUFBB-IONNQARKSA-N 1 2 197.238 0.272 20 0 ACADLO C[C@@H]1C[N@H+](Cc2cnon2)CC[C@H]1O 851956014 583201566 /nfs/dbraw/zinc/20/15/66/583201566.db2.gz AODVLDVFAQUFBB-VXNVDRBHSA-N 1 2 197.238 0.272 20 0 ACADLO C[C@@H]1C[N@@H+](Cc2cnon2)CC[C@H]1O 851956014 583201568 /nfs/dbraw/zinc/20/15/68/583201568.db2.gz AODVLDVFAQUFBB-VXNVDRBHSA-N 1 2 197.238 0.272 20 0 ACADLO OCC[N@H+](Cc1cnon1)C1CCC1 851971724 583201573 /nfs/dbraw/zinc/20/15/73/583201573.db2.gz SDPQUWWNCGPITI-UHFFFAOYSA-N 1 2 197.238 0.416 20 0 ACADLO OCC[N@@H+](Cc1cnon1)C1CCC1 851971724 583201576 /nfs/dbraw/zinc/20/15/76/583201576.db2.gz SDPQUWWNCGPITI-UHFFFAOYSA-N 1 2 197.238 0.416 20 0 ACADLO C[C@H]1C[N@@H+](Cc2cnon2)CC[C@@H]1O 851956010 583201706 /nfs/dbraw/zinc/20/17/06/583201706.db2.gz AODVLDVFAQUFBB-CBAPKCEASA-N 1 2 197.238 0.272 20 0 ACADLO CC1(C)C[N@H+](Cc2cnon2)C[C@H]1O 851997014 583202584 /nfs/dbraw/zinc/20/25/84/583202584.db2.gz FRFGAOBYEGWQFN-MRVPVSSYSA-N 1 2 197.238 0.272 20 0 ACADLO CC1(C)C[N@@H+](Cc2cnon2)C[C@H]1O 851997014 583202589 /nfs/dbraw/zinc/20/25/89/583202589.db2.gz FRFGAOBYEGWQFN-MRVPVSSYSA-N 1 2 197.238 0.272 20 0 ACADLO CC1(C)C[N@H+](Cc2cnon2)C[C@@H]1O 851997015 583202749 /nfs/dbraw/zinc/20/27/49/583202749.db2.gz FRFGAOBYEGWQFN-QMMMGPOBSA-N 1 2 197.238 0.272 20 0 ACADLO CC1(C)C[N@@H+](Cc2cnon2)C[C@@H]1O 851997015 583202750 /nfs/dbraw/zinc/20/27/50/583202750.db2.gz FRFGAOBYEGWQFN-QMMMGPOBSA-N 1 2 197.238 0.272 20 0 ACADLO CC[N@@H+](Cc1cnon1)C[C@H](C)OC 852073695 583203270 /nfs/dbraw/zinc/20/32/70/583203270.db2.gz XKLLCPHSXBSADL-QMMMGPOBSA-N 1 2 199.254 0.926 20 0 ACADLO CC[N@H+](Cc1cnon1)C[C@H](C)OC 852073695 583203274 /nfs/dbraw/zinc/20/32/74/583203274.db2.gz XKLLCPHSXBSADL-QMMMGPOBSA-N 1 2 199.254 0.926 20 0 ACADLO CC[N@H+](Cc1cnon1)[C@H](C)CO 852074957 583203293 /nfs/dbraw/zinc/20/32/93/583203293.db2.gz GPIANUBDCTVJRO-SSDOTTSWSA-N 1 2 185.227 0.272 20 0 ACADLO CC[N@@H+](Cc1cnon1)[C@H](C)CO 852074957 583203295 /nfs/dbraw/zinc/20/32/95/583203295.db2.gz GPIANUBDCTVJRO-SSDOTTSWSA-N 1 2 185.227 0.272 20 0 ACADLO CO[C@@H](C)C[N@H+](C)Cc1cnon1 852044714 583203578 /nfs/dbraw/zinc/20/35/78/583203578.db2.gz IMARXEJLKFWROV-ZETCQYMHSA-N 1 2 185.227 0.536 20 0 ACADLO CO[C@@H](C)C[N@@H+](C)Cc1cnon1 852044714 583203579 /nfs/dbraw/zinc/20/35/79/583203579.db2.gz IMARXEJLKFWROV-ZETCQYMHSA-N 1 2 185.227 0.536 20 0 ACADLO C[N@H+](Cc1cnon1)C1(CO)CC1 852043692 583203728 /nfs/dbraw/zinc/20/37/28/583203728.db2.gz HEIFQGYCWDINIV-UHFFFAOYSA-N 1 2 183.211 0.026 20 0 ACADLO C[N@@H+](Cc1cnon1)C1(CO)CC1 852043692 583203731 /nfs/dbraw/zinc/20/37/31/583203731.db2.gz HEIFQGYCWDINIV-UHFFFAOYSA-N 1 2 183.211 0.026 20 0 ACADLO CC[N@@H+](Cc1cnon1)C[C@@H](C)OC 852073694 583203842 /nfs/dbraw/zinc/20/38/42/583203842.db2.gz XKLLCPHSXBSADL-MRVPVSSYSA-N 1 2 199.254 0.926 20 0 ACADLO CC[N@H+](Cc1cnon1)C[C@@H](C)OC 852073694 583203844 /nfs/dbraw/zinc/20/38/44/583203844.db2.gz XKLLCPHSXBSADL-MRVPVSSYSA-N 1 2 199.254 0.926 20 0 ACADLO CO[C@H](C)C[N@H+](C)Cc1cnon1 852044713 583203952 /nfs/dbraw/zinc/20/39/52/583203952.db2.gz IMARXEJLKFWROV-SSDOTTSWSA-N 1 2 185.227 0.536 20 0 ACADLO CO[C@H](C)C[N@@H+](C)Cc1cnon1 852044713 583203953 /nfs/dbraw/zinc/20/39/53/583203953.db2.gz IMARXEJLKFWROV-SSDOTTSWSA-N 1 2 185.227 0.536 20 0 ACADLO C[N@H+](Cc1cnon1)[C@@H]1CCCOC1 852038295 583204074 /nfs/dbraw/zinc/20/40/74/583204074.db2.gz AVWXAFGOMGPPDJ-SECBINFHSA-N 1 2 197.238 0.680 20 0 ACADLO C[N@@H+](Cc1cnon1)[C@@H]1CCCOC1 852038295 583204077 /nfs/dbraw/zinc/20/40/77/583204077.db2.gz AVWXAFGOMGPPDJ-SECBINFHSA-N 1 2 197.238 0.680 20 0 ACADLO C[N@H+](Cc1cnon1)[C@H]1CCCOC1 852038296 583204136 /nfs/dbraw/zinc/20/41/36/583204136.db2.gz AVWXAFGOMGPPDJ-VIFPVBQESA-N 1 2 197.238 0.680 20 0 ACADLO C[N@@H+](Cc1cnon1)[C@H]1CCCOC1 852038296 583204140 /nfs/dbraw/zinc/20/41/40/583204140.db2.gz AVWXAFGOMGPPDJ-VIFPVBQESA-N 1 2 197.238 0.680 20 0 ACADLO CN(Cc1c[nH]c[nH+]1)CC1OCCO1 852287171 583205725 /nfs/dbraw/zinc/20/57/25/583205725.db2.gz BWNBVBCQALHOGH-UHFFFAOYSA-N 1 2 197.238 0.214 20 0 ACADLO F[C@H]1CC[N@H+](CCc2c[nH]nn2)C1 852110727 583204843 /nfs/dbraw/zinc/20/48/43/583204843.db2.gz WIRCHCXAHYVPBM-ZETCQYMHSA-N 1 2 184.218 0.391 20 0 ACADLO F[C@H]1CC[N@@H+](CCc2c[nH]nn2)C1 852110727 583204846 /nfs/dbraw/zinc/20/48/46/583204846.db2.gz WIRCHCXAHYVPBM-ZETCQYMHSA-N 1 2 184.218 0.391 20 0 ACADLO F[C@@H]1CC[N@H+](CCc2c[nH]nn2)C1 852110726 583204970 /nfs/dbraw/zinc/20/49/70/583204970.db2.gz WIRCHCXAHYVPBM-SSDOTTSWSA-N 1 2 184.218 0.391 20 0 ACADLO F[C@@H]1CC[N@@H+](CCc2c[nH]nn2)C1 852110726 583204972 /nfs/dbraw/zinc/20/49/72/583204972.db2.gz WIRCHCXAHYVPBM-SSDOTTSWSA-N 1 2 184.218 0.391 20 0 ACADLO CC[N@H+](Cc1cnon1)[C@@H](C)CO 852094958 583205320 /nfs/dbraw/zinc/20/53/20/583205320.db2.gz GPIANUBDCTVJRO-ZETCQYMHSA-N 1 2 185.227 0.272 20 0 ACADLO CC[N@@H+](Cc1cnon1)[C@@H](C)CO 852094958 583205323 /nfs/dbraw/zinc/20/53/23/583205323.db2.gz GPIANUBDCTVJRO-ZETCQYMHSA-N 1 2 185.227 0.272 20 0 ACADLO CN(Cc1c[nH+]c[nH]1)CC1OCCO1 852287171 583205722 /nfs/dbraw/zinc/20/57/22/583205722.db2.gz BWNBVBCQALHOGH-UHFFFAOYSA-N 1 2 197.238 0.214 20 0 ACADLO C[C@@H](O)C[N@H+](Cc1cnon1)C1CC1 852218330 583206041 /nfs/dbraw/zinc/20/60/41/583206041.db2.gz HJAURDPLCGZIED-SSDOTTSWSA-N 1 2 197.238 0.415 20 0 ACADLO C[C@@H](O)C[N@@H+](Cc1cnon1)C1CC1 852218330 583206044 /nfs/dbraw/zinc/20/60/44/583206044.db2.gz HJAURDPLCGZIED-SSDOTTSWSA-N 1 2 197.238 0.415 20 0 ACADLO CN(Cc1c[nH+]c[nH]1)[C@@H]1CCOC1=O 852283733 583206075 /nfs/dbraw/zinc/20/60/75/583206075.db2.gz AEZQRJLYJFXUHI-MRVPVSSYSA-N 1 2 195.222 0.157 20 0 ACADLO CN(Cc1c[nH]c[nH+]1)[C@@H]1CCOC1=O 852283733 583206079 /nfs/dbraw/zinc/20/60/79/583206079.db2.gz AEZQRJLYJFXUHI-MRVPVSSYSA-N 1 2 195.222 0.157 20 0 ACADLO C[C@H](O)C[N@H+](Cc1cnon1)C1CC1 852218331 583206230 /nfs/dbraw/zinc/20/62/30/583206230.db2.gz HJAURDPLCGZIED-ZETCQYMHSA-N 1 2 197.238 0.415 20 0 ACADLO C[C@H](O)C[N@@H+](Cc1cnon1)C1CC1 852218331 583206234 /nfs/dbraw/zinc/20/62/34/583206234.db2.gz HJAURDPLCGZIED-ZETCQYMHSA-N 1 2 197.238 0.415 20 0 ACADLO CN(Cc1c[nH+]c[nH]1)[C@H]1CCOC1=O 852283734 583206358 /nfs/dbraw/zinc/20/63/58/583206358.db2.gz AEZQRJLYJFXUHI-QMMMGPOBSA-N 1 2 195.222 0.157 20 0 ACADLO CN(Cc1c[nH]c[nH+]1)[C@H]1CCOC1=O 852283734 583206361 /nfs/dbraw/zinc/20/63/61/583206361.db2.gz AEZQRJLYJFXUHI-QMMMGPOBSA-N 1 2 195.222 0.157 20 0 ACADLO C[C@@H](CCO)[N@H+](C)Cc1cnon1 852212873 583206401 /nfs/dbraw/zinc/20/64/01/583206401.db2.gz FNNOMMXXHMQSDO-ZETCQYMHSA-N 1 2 185.227 0.272 20 0 ACADLO C[C@@H](CCO)[N@@H+](C)Cc1cnon1 852212873 583206404 /nfs/dbraw/zinc/20/64/04/583206404.db2.gz FNNOMMXXHMQSDO-ZETCQYMHSA-N 1 2 185.227 0.272 20 0 ACADLO CN(Cc1cnon1)Cc1c[nH]c[nH+]1 852289160 583206413 /nfs/dbraw/zinc/20/64/13/583206413.db2.gz ZHARFXIEKBGZLW-UHFFFAOYSA-N 1 2 193.210 0.425 20 0 ACADLO CN(Cc1cnon1)Cc1c[nH+]c[nH]1 852289160 583206411 /nfs/dbraw/zinc/20/64/11/583206411.db2.gz ZHARFXIEKBGZLW-UHFFFAOYSA-N 1 2 193.210 0.425 20 0 ACADLO C[C@H](CCO)[N@H+](C)Cc1cnon1 852212872 583206575 /nfs/dbraw/zinc/20/65/75/583206575.db2.gz FNNOMMXXHMQSDO-SSDOTTSWSA-N 1 2 185.227 0.272 20 0 ACADLO C[C@H](CCO)[N@@H+](C)Cc1cnon1 852212872 583206577 /nfs/dbraw/zinc/20/65/77/583206577.db2.gz FNNOMMXXHMQSDO-SSDOTTSWSA-N 1 2 185.227 0.272 20 0 ACADLO CC[C@H]([NH2+]CC(=O)NOC)C1CC1 852555225 583208265 /nfs/dbraw/zinc/20/82/65/583208265.db2.gz MRJVVGQPQUQODI-QMMMGPOBSA-N 1 2 186.255 0.442 20 0 ACADLO CC[C@@H]([NH2+]CC(=O)NOC)C1CC1 852555224 583208794 /nfs/dbraw/zinc/20/87/94/583208794.db2.gz MRJVVGQPQUQODI-MRVPVSSYSA-N 1 2 186.255 0.442 20 0 ACADLO CN1CC[N@H+](CCF)CCC1=O 852578080 583208876 /nfs/dbraw/zinc/20/88/76/583208876.db2.gz QWAIMSBKUDXLMU-UHFFFAOYSA-N 1 2 174.219 0.120 20 0 ACADLO CN1CC[N@@H+](CCF)CCC1=O 852578080 583208878 /nfs/dbraw/zinc/20/88/78/583208878.db2.gz QWAIMSBKUDXLMU-UHFFFAOYSA-N 1 2 174.219 0.120 20 0 ACADLO Cc1nn(C[N@H+](C)CC2CC2)c(=O)o1 853491133 583225100 /nfs/dbraw/zinc/22/51/00/583225100.db2.gz MFSMYEDJWUFYPV-UHFFFAOYSA-N 1 2 197.238 0.444 20 0 ACADLO Cc1nn(C[N@@H+](C)CC2CC2)c(=O)o1 853491133 583225101 /nfs/dbraw/zinc/22/51/01/583225101.db2.gz MFSMYEDJWUFYPV-UHFFFAOYSA-N 1 2 197.238 0.444 20 0 ACADLO Cc1nn(C[N@@H+](C)C2CCC2)c(=O)o1 853499907 583225843 /nfs/dbraw/zinc/22/58/43/583225843.db2.gz YEOCDYQUAAPNKO-UHFFFAOYSA-N 1 2 197.238 0.587 20 0 ACADLO Cc1nn(C[N@H+](C)C2CCC2)c(=O)o1 853499907 583225846 /nfs/dbraw/zinc/22/58/46/583225846.db2.gz YEOCDYQUAAPNKO-UHFFFAOYSA-N 1 2 197.238 0.587 20 0 ACADLO Cc1nn(C[N@@H+]2CCC[C@@H]2C)c(=O)o1 853500932 583225966 /nfs/dbraw/zinc/22/59/66/583225966.db2.gz WYSAKYPDVGMVPJ-ZETCQYMHSA-N 1 2 197.238 0.587 20 0 ACADLO Cc1nn(C[N@H+]2CCC[C@@H]2C)c(=O)o1 853500932 583225962 /nfs/dbraw/zinc/22/59/62/583225962.db2.gz WYSAKYPDVGMVPJ-ZETCQYMHSA-N 1 2 197.238 0.587 20 0 ACADLO Cc1nn(C[N@H+]2CCC[C@H]2C)c(=O)o1 853500931 583226098 /nfs/dbraw/zinc/22/60/98/583226098.db2.gz WYSAKYPDVGMVPJ-SSDOTTSWSA-N 1 2 197.238 0.587 20 0 ACADLO Cc1nn(C[N@@H+]2CCC[C@H]2C)c(=O)o1 853500931 583226101 /nfs/dbraw/zinc/22/61/01/583226101.db2.gz WYSAKYPDVGMVPJ-SSDOTTSWSA-N 1 2 197.238 0.587 20 0 ACADLO Cc1nn(C[N@H+]2CC[C@@H](C)C2)c(=O)o1 853493385 583226210 /nfs/dbraw/zinc/22/62/10/583226210.db2.gz PFYBDAPJPMQBDX-SSDOTTSWSA-N 1 2 197.238 0.444 20 0 ACADLO Cc1nn(C[N@@H+]2CC[C@@H](C)C2)c(=O)o1 853493385 583226213 /nfs/dbraw/zinc/22/62/13/583226213.db2.gz PFYBDAPJPMQBDX-SSDOTTSWSA-N 1 2 197.238 0.444 20 0 ACADLO Cc1nn(C[N@@H+]2CC[C@H](C)C2)c(=O)o1 853493386 583226365 /nfs/dbraw/zinc/22/63/65/583226365.db2.gz PFYBDAPJPMQBDX-ZETCQYMHSA-N 1 2 197.238 0.444 20 0 ACADLO Cc1nn(C[N@H+]2CC[C@H](C)C2)c(=O)o1 853493386 583226361 /nfs/dbraw/zinc/22/63/61/583226361.db2.gz PFYBDAPJPMQBDX-ZETCQYMHSA-N 1 2 197.238 0.444 20 0 ACADLO Cc1nn(C[NH+]2CCCC2)c(=O)o1 853488013 583226591 /nfs/dbraw/zinc/22/65/91/583226591.db2.gz QPSASJIFCKYWOB-UHFFFAOYSA-N 1 2 183.211 0.198 20 0 ACADLO CCC[N@H+](CC)Cn1nc(C)oc1=O 853493727 583226665 /nfs/dbraw/zinc/22/66/65/583226665.db2.gz USMWDLWMZMJYFD-UHFFFAOYSA-N 1 2 199.254 0.834 20 0 ACADLO CCC[N@@H+](CC)Cn1nc(C)oc1=O 853493727 583226666 /nfs/dbraw/zinc/22/66/66/583226666.db2.gz USMWDLWMZMJYFD-UHFFFAOYSA-N 1 2 199.254 0.834 20 0 ACADLO CO[C@H](C)C(N)=[NH+]OCC[C@@H](C)O 853673973 583228078 /nfs/dbraw/zinc/22/80/78/583228078.db2.gz NSMXSWFGGKBDNK-RNFRBKRXSA-N 1 2 190.243 0.291 20 0 ACADLO CO[C@@H](C)C(N)=[NH+]OCC[C@@H](C)O 853673974 583228324 /nfs/dbraw/zinc/22/83/24/583228324.db2.gz NSMXSWFGGKBDNK-RQJHMYQMSA-N 1 2 190.243 0.291 20 0 ACADLO CO[C@@H](C)C(N)=[NH+]OCC[C@H](C)O 853673971 583228519 /nfs/dbraw/zinc/22/85/19/583228519.db2.gz NSMXSWFGGKBDNK-BQBZGAKWSA-N 1 2 190.243 0.291 20 0 ACADLO CC(=O)NOCc1ccc[nH+]c1N 853660882 583228668 /nfs/dbraw/zinc/22/86/68/583228668.db2.gz GMVKCHUGNHHZSR-UHFFFAOYSA-N 1 2 181.195 0.232 20 0 ACADLO CO[C@H](C)C(N)=[NH+]OCC[C@H](C)O 853673972 583228710 /nfs/dbraw/zinc/22/87/10/583228710.db2.gz NSMXSWFGGKBDNK-NKWVEPMBSA-N 1 2 190.243 0.291 20 0 ACADLO COC[C@H](C)NC(=O)Cc1[nH]cc[nH+]1 854177086 583234269 /nfs/dbraw/zinc/23/42/69/583234269.db2.gz CPCLTCGZQYXFCK-ZETCQYMHSA-N 1 2 197.238 0.103 20 0 ACADLO O=C(Cc1[nH]cc[nH+]1)N1CCCOC1 854409761 583236029 /nfs/dbraw/zinc/23/60/29/583236029.db2.gz LTHJGDSVQZZPGL-UHFFFAOYSA-N 1 2 195.222 0.159 20 0 ACADLO Cn1c[nH+]cc1CNC(=O)CCCF 854499278 583236868 /nfs/dbraw/zinc/23/68/68/583236868.db2.gz WCVDHLDZKMYKPX-UHFFFAOYSA-N 1 2 199.229 0.786 20 0 ACADLO O=C(Cc1[nH]cc[nH+]1)N1CCCCN1 854429640 583237381 /nfs/dbraw/zinc/23/73/81/583237381.db2.gz XGEYLNLIWXEICI-UHFFFAOYSA-N 1 2 194.238 0.079 20 0 ACADLO O=C(Cc1[nH]cc[nH+]1)N1CC[C@@H](F)C1 854743507 583239399 /nfs/dbraw/zinc/23/93/99/583239399.db2.gz YVZMMBJYFQHHBT-SSDOTTSWSA-N 1 2 197.213 0.523 20 0 ACADLO O=C(Cc1[nH]cc[nH+]1)N1CC[C@H](F)C1 854743509 583239663 /nfs/dbraw/zinc/23/96/63/583239663.db2.gz YVZMMBJYFQHHBT-ZETCQYMHSA-N 1 2 197.213 0.523 20 0 ACADLO CCC1CN(C(=O)Cc2[nH]cc[nH+]2)C1 854902116 583243390 /nfs/dbraw/zinc/24/33/90/583243390.db2.gz JLEZLFFFTXLPCD-UHFFFAOYSA-N 1 2 193.250 0.821 20 0 ACADLO CC1(C)C[C@@H]1NC(=O)Cc1[nH]cc[nH+]1 854933518 583243578 /nfs/dbraw/zinc/24/35/78/583243578.db2.gz OSJUCDLBVCUQER-ZETCQYMHSA-N 1 2 193.250 0.867 20 0 ACADLO CN(Cc1c[nH+]c[nH]1)C(=O)C(F)F 855135885 583245518 /nfs/dbraw/zinc/24/55/18/583245518.db2.gz XJRQYOZWINRXNQ-UHFFFAOYSA-N 1 2 189.165 0.633 20 0 ACADLO CN(Cc1c[nH]c[nH+]1)C(=O)C(F)F 855135885 583245523 /nfs/dbraw/zinc/24/55/23/583245523.db2.gz XJRQYOZWINRXNQ-UHFFFAOYSA-N 1 2 189.165 0.633 20 0 ACADLO O=C(Cc1[nH]cc[nH+]1)N[C@@H]1C=CCC1 855433698 583251774 /nfs/dbraw/zinc/25/17/74/583251774.db2.gz VKNDPQBNLJFGBB-MRVPVSSYSA-N 1 2 191.234 0.787 20 0 ACADLO COC(=O)N[C@@H](C)c1[nH+]ccn1C 856277468 583256195 /nfs/dbraw/zinc/25/61/95/583256195.db2.gz KARZYAIWDVCHJX-LURJTMIESA-N 1 2 183.211 0.837 20 0 ACADLO COC(=O)N[C@H](C)c1[nH+]ccn1C 856277469 583256828 /nfs/dbraw/zinc/25/68/28/583256828.db2.gz KARZYAIWDVCHJX-ZCFIWIBFSA-N 1 2 183.211 0.837 20 0 ACADLO C[C@@H]1C[N@H+](CN2CCC2=O)[C@H](C)CO1 857231928 583261450 /nfs/dbraw/zinc/26/14/50/583261450.db2.gz VBSLMFKMVBEVEJ-RKDXNWHRSA-N 1 2 198.266 0.285 20 0 ACADLO C[C@@H]1C[N@@H+](CN2CCC2=O)[C@H](C)CO1 857231928 583261454 /nfs/dbraw/zinc/26/14/54/583261454.db2.gz VBSLMFKMVBEVEJ-RKDXNWHRSA-N 1 2 198.266 0.285 20 0 ACADLO C[C@H]1C[N@H+](CN2CCC2=O)[C@H](C)CO1 857231825 583261500 /nfs/dbraw/zinc/26/15/00/583261500.db2.gz VBSLMFKMVBEVEJ-BDAKNGLRSA-N 1 2 198.266 0.285 20 0 ACADLO C[C@H]1C[N@@H+](CN2CCC2=O)[C@H](C)CO1 857231825 583261503 /nfs/dbraw/zinc/26/15/03/583261503.db2.gz VBSLMFKMVBEVEJ-BDAKNGLRSA-N 1 2 198.266 0.285 20 0 ACADLO C[C@H]1CO[C@H](C)C[N@@H+]1CN1CCC1=O 857231926 583262014 /nfs/dbraw/zinc/26/20/14/583262014.db2.gz VBSLMFKMVBEVEJ-DTWKUNHWSA-N 1 2 198.266 0.285 20 0 ACADLO C[C@H]1CO[C@H](C)C[N@H+]1CN1CCC1=O 857231926 583262017 /nfs/dbraw/zinc/26/20/17/583262017.db2.gz VBSLMFKMVBEVEJ-DTWKUNHWSA-N 1 2 198.266 0.285 20 0 ACADLO C[C@H]1C[N@H+](CN2CCC2=O)C[C@@H](C)O1 857229493 583262057 /nfs/dbraw/zinc/26/20/57/583262057.db2.gz UQONWODJEDLVOV-DTORHVGOSA-N 1 2 198.266 0.285 20 0 ACADLO C[C@H]1C[N@@H+](CN2CCC2=O)C[C@@H](C)O1 857229493 583262059 /nfs/dbraw/zinc/26/20/59/583262059.db2.gz UQONWODJEDLVOV-DTORHVGOSA-N 1 2 198.266 0.285 20 0 ACADLO C[C@H]1C[N@H+](CN2CCC2=O)[C@@H](C)CO1 857231927 583262119 /nfs/dbraw/zinc/26/21/19/583262119.db2.gz VBSLMFKMVBEVEJ-IUCAKERBSA-N 1 2 198.266 0.285 20 0 ACADLO C[C@H]1C[N@@H+](CN2CCC2=O)[C@@H](C)CO1 857231927 583262120 /nfs/dbraw/zinc/26/21/20/583262120.db2.gz VBSLMFKMVBEVEJ-IUCAKERBSA-N 1 2 198.266 0.285 20 0 ACADLO CC1(C)C[N@H+](CN2CCC2=O)CCO1 857231764 583262255 /nfs/dbraw/zinc/26/22/55/583262255.db2.gz RZJLYKLAVPRCSU-UHFFFAOYSA-N 1 2 198.266 0.287 20 0 ACADLO CC1(C)C[N@@H+](CN2CCC2=O)CCO1 857231764 583262258 /nfs/dbraw/zinc/26/22/58/583262258.db2.gz RZJLYKLAVPRCSU-UHFFFAOYSA-N 1 2 198.266 0.287 20 0 ACADLO C[C@H]1[C@@H](C)OCC[N@@H+]1CN1CCC1=O 857234925 583262728 /nfs/dbraw/zinc/26/27/28/583262728.db2.gz NHAKRAFTFWDRDC-DTWKUNHWSA-N 1 2 198.266 0.285 20 0 ACADLO C[C@H]1[C@@H](C)OCC[N@H+]1CN1CCC1=O 857234925 583262735 /nfs/dbraw/zinc/26/27/35/583262735.db2.gz NHAKRAFTFWDRDC-DTWKUNHWSA-N 1 2 198.266 0.285 20 0 ACADLO C[C@@H]1OCC[N@H+](CN2CCC2=O)[C@@H]1C 857234924 583262871 /nfs/dbraw/zinc/26/28/71/583262871.db2.gz NHAKRAFTFWDRDC-BDAKNGLRSA-N 1 2 198.266 0.285 20 0 ACADLO C[C@@H]1OCC[N@@H+](CN2CCC2=O)[C@@H]1C 857234924 583262874 /nfs/dbraw/zinc/26/28/74/583262874.db2.gz NHAKRAFTFWDRDC-BDAKNGLRSA-N 1 2 198.266 0.285 20 0 ACADLO C[C@H]1OCC[N@H+](CN2CCC2=O)[C@@H]1C 857234927 583262971 /nfs/dbraw/zinc/26/29/71/583262971.db2.gz NHAKRAFTFWDRDC-RKDXNWHRSA-N 1 2 198.266 0.285 20 0 ACADLO C[C@H]1OCC[N@@H+](CN2CCC2=O)[C@@H]1C 857234927 583262973 /nfs/dbraw/zinc/26/29/73/583262973.db2.gz NHAKRAFTFWDRDC-RKDXNWHRSA-N 1 2 198.266 0.285 20 0 ACADLO C[C@@H]1OCC[N@H+](CN2CCC2=O)[C@H]1C 857234926 583263769 /nfs/dbraw/zinc/26/37/69/583263769.db2.gz NHAKRAFTFWDRDC-IUCAKERBSA-N 1 2 198.266 0.285 20 0 ACADLO C[C@@H]1OCC[N@@H+](CN2CCC2=O)[C@H]1C 857234926 583263773 /nfs/dbraw/zinc/26/37/73/583263773.db2.gz NHAKRAFTFWDRDC-IUCAKERBSA-N 1 2 198.266 0.285 20 0 ACADLO CCOCC[N@H+](C)CN1CCC1=O 857233954 583263815 /nfs/dbraw/zinc/26/38/15/583263815.db2.gz LOLILSOYEURDCH-UHFFFAOYSA-N 1 2 186.255 0.145 20 0 ACADLO CCOCC[N@@H+](C)CN1CCC1=O 857233954 583263819 /nfs/dbraw/zinc/26/38/19/583263819.db2.gz LOLILSOYEURDCH-UHFFFAOYSA-N 1 2 186.255 0.145 20 0 ACADLO O=C(Cc1[nH]cc[nH+]1)Nc1cn[nH]c1 857437356 583264484 /nfs/dbraw/zinc/26/44/84/583264484.db2.gz TVYSPURRKSXMET-UHFFFAOYSA-N 1 2 191.194 0.314 20 0 ACADLO CC(C)ONC(=O)CCc1[nH]cc[nH+]1 857522722 583265581 /nfs/dbraw/zinc/26/55/81/583265581.db2.gz OKPRBIZWEIBOPY-UHFFFAOYSA-N 1 2 197.238 0.799 20 0 ACADLO CC(C)ONC(=O)Cc1c[nH+]cn1C 857522338 583265818 /nfs/dbraw/zinc/26/58/18/583265818.db2.gz GNTIJTUGRKPLPH-UHFFFAOYSA-N 1 2 197.238 0.419 20 0 ACADLO C[C@H](O)C[N@@H+]1Cc2ccncc2C1 857879628 583267274 /nfs/dbraw/zinc/26/72/74/583267274.db2.gz LETYPYUCKKJPAG-QMMMGPOBSA-N 1 2 178.235 0.778 20 0 ACADLO C[C@H](O)C[N@H+]1Cc2ccncc2C1 857879628 583267280 /nfs/dbraw/zinc/26/72/80/583267280.db2.gz LETYPYUCKKJPAG-QMMMGPOBSA-N 1 2 178.235 0.778 20 0 ACADLO C[C@@H](O)C[N@@H+]1Cc2ccncc2C1 857879627 583267332 /nfs/dbraw/zinc/26/73/32/583267332.db2.gz LETYPYUCKKJPAG-MRVPVSSYSA-N 1 2 178.235 0.778 20 0 ACADLO C[C@@H](O)C[N@H+]1Cc2ccncc2C1 857879627 583267335 /nfs/dbraw/zinc/26/73/35/583267335.db2.gz LETYPYUCKKJPAG-MRVPVSSYSA-N 1 2 178.235 0.778 20 0 ACADLO OCCC[N@@H+]1Cc2ccncc2C1 857874404 583267488 /nfs/dbraw/zinc/26/74/88/583267488.db2.gz MCTUYZWWJKTAHS-UHFFFAOYSA-N 1 2 178.235 0.780 20 0 ACADLO OCCC[N@H+]1Cc2ccncc2C1 857874404 583267490 /nfs/dbraw/zinc/26/74/90/583267490.db2.gz MCTUYZWWJKTAHS-UHFFFAOYSA-N 1 2 178.235 0.780 20 0 ACADLO Nc1ncc2c(n1)C[N@@H+](CCF)CC2 857923552 583267536 /nfs/dbraw/zinc/26/75/36/583267536.db2.gz GXWNOVFVXJTREN-UHFFFAOYSA-N 1 2 196.229 0.386 20 0 ACADLO Nc1ncc2c(n1)C[N@H+](CCF)CC2 857923552 583267537 /nfs/dbraw/zinc/26/75/37/583267537.db2.gz GXWNOVFVXJTREN-UHFFFAOYSA-N 1 2 196.229 0.386 20 0 ACADLO CO[C@@H]1CC[N@H+](Cc2cnns2)C1 859155986 583277160 /nfs/dbraw/zinc/27/71/60/583277160.db2.gz IETWOULBUPZXMF-SSDOTTSWSA-N 1 2 199.279 0.759 20 0 ACADLO CO[C@@H]1CC[N@@H+](Cc2cnns2)C1 859155986 583277161 /nfs/dbraw/zinc/27/71/61/583277161.db2.gz IETWOULBUPZXMF-SSDOTTSWSA-N 1 2 199.279 0.759 20 0 ACADLO O=C(NCc1c[nH+]c[nH]1)OCCF 859235878 583277949 /nfs/dbraw/zinc/27/79/49/583277949.db2.gz OKIVFLBPANMTSB-UHFFFAOYSA-N 1 2 187.174 0.605 20 0 ACADLO O=C(NCc1c[nH]c[nH+]1)OCCF 859235878 583277952 /nfs/dbraw/zinc/27/79/52/583277952.db2.gz OKIVFLBPANMTSB-UHFFFAOYSA-N 1 2 187.174 0.605 20 0 ACADLO CCCN(C)C(=O)NCc1c[nH+]c[nH]1 859235297 583278846 /nfs/dbraw/zinc/27/88/46/583278846.db2.gz MZIDHSGVRIONMK-UHFFFAOYSA-N 1 2 196.254 0.961 20 0 ACADLO CCCN(C)C(=O)NCc1c[nH]c[nH+]1 859235297 583278850 /nfs/dbraw/zinc/27/88/50/583278850.db2.gz MZIDHSGVRIONMK-UHFFFAOYSA-N 1 2 196.254 0.961 20 0 ACADLO CCOC[C@@H]1C[N@H+](CCF)CCO1 859771727 583280739 /nfs/dbraw/zinc/28/07/39/583280739.db2.gz KHHSANZLIMDZNN-VIFPVBQESA-N 1 2 191.246 0.693 20 0 ACADLO CCOC[C@@H]1C[N@@H+](CCF)CCO1 859771727 583280742 /nfs/dbraw/zinc/28/07/42/583280742.db2.gz KHHSANZLIMDZNN-VIFPVBQESA-N 1 2 191.246 0.693 20 0 ACADLO CCOC[C@H]1C[N@H+](CCF)CCO1 859771725 583281067 /nfs/dbraw/zinc/28/10/67/583281067.db2.gz KHHSANZLIMDZNN-SECBINFHSA-N 1 2 191.246 0.693 20 0 ACADLO CCOC[C@H]1C[N@@H+](CCF)CCO1 859771725 583281070 /nfs/dbraw/zinc/28/10/70/583281070.db2.gz KHHSANZLIMDZNN-SECBINFHSA-N 1 2 191.246 0.693 20 0 ACADLO COC(=O)[C@H]1CCCC[N@@H+]1CCF 118682937 583296334 /nfs/dbraw/zinc/29/63/34/583296334.db2.gz RFOZKHIKPDVTBQ-MRVPVSSYSA-N 1 2 189.230 0.983 20 0 ACADLO COC(=O)[C@H]1CCCC[N@H+]1CCF 118682937 583296336 /nfs/dbraw/zinc/29/63/36/583296336.db2.gz RFOZKHIKPDVTBQ-MRVPVSSYSA-N 1 2 189.230 0.983 20 0 ACADLO CCC(=O)OCCn1cc[nH+]c1 202794626 583297028 /nfs/dbraw/zinc/29/70/28/583297028.db2.gz OBILRGJEWQICSA-UHFFFAOYSA-N 1 2 168.196 0.836 20 0 ACADLO Cc1c[nH]c(C[N@@H+](C)C[C@@H](C)O)n1 862324703 583297852 /nfs/dbraw/zinc/29/78/52/583297852.db2.gz SQTQXKROCOOFEX-MRVPVSSYSA-N 1 2 183.255 0.531 20 0 ACADLO Cc1c[nH]c(C[N@H+](C)C[C@@H](C)O)n1 862324703 583297853 /nfs/dbraw/zinc/29/78/53/583297853.db2.gz SQTQXKROCOOFEX-MRVPVSSYSA-N 1 2 183.255 0.531 20 0 ACADLO Cc1c[nH]c(C[N@@H+](C)C[C@H](C)O)n1 862324704 583298670 /nfs/dbraw/zinc/29/86/70/583298670.db2.gz SQTQXKROCOOFEX-QMMMGPOBSA-N 1 2 183.255 0.531 20 0 ACADLO Cc1c[nH]c(C[N@H+](C)C[C@H](C)O)n1 862324704 583298673 /nfs/dbraw/zinc/29/86/73/583298673.db2.gz SQTQXKROCOOFEX-QMMMGPOBSA-N 1 2 183.255 0.531 20 0 ACADLO COC1CN(Cc2[nH]cc(C)[nH+]2)C1 862389359 583299222 /nfs/dbraw/zinc/29/92/22/583299222.db2.gz RHKYDALFSAONSQ-UHFFFAOYSA-N 1 2 181.239 0.549 20 0 ACADLO CCn1ncc(C[NH2+]C2CSC2)n1 862432686 583299374 /nfs/dbraw/zinc/29/93/74/583299374.db2.gz BBOOSIBPSMPMBU-UHFFFAOYSA-N 1 2 198.295 0.503 20 0 ACADLO COC1CN(Cc2[nH]c(C)c(C)[nH+]2)C1 862389740 583299357 /nfs/dbraw/zinc/29/93/57/583299357.db2.gz VVZHRVLAENEMCQ-UHFFFAOYSA-N 1 2 195.266 0.857 20 0 ACADLO O=C(Cc1[nH]cc[nH+]1)N1C[C@H]2C[C@H]2C1 862555257 583300691 /nfs/dbraw/zinc/30/06/91/583300691.db2.gz IOQNQAOVNKJGSX-OCAPTIKFSA-N 1 2 191.234 0.431 20 0 ACADLO CCc1noc([C@H]2C[N@H+](C)CCO2)n1 863456480 583309525 /nfs/dbraw/zinc/30/95/25/583309525.db2.gz BNDDGHWFLMMURK-SSDOTTSWSA-N 1 2 197.238 0.635 20 0 ACADLO CCc1noc([C@H]2C[N@@H+](C)CCO2)n1 863456480 583309527 /nfs/dbraw/zinc/30/95/27/583309527.db2.gz BNDDGHWFLMMURK-SSDOTTSWSA-N 1 2 197.238 0.635 20 0 ACADLO CCc1noc([C@@H]2C[N@H+](C)CCO2)n1 863456481 583309940 /nfs/dbraw/zinc/30/99/40/583309940.db2.gz BNDDGHWFLMMURK-ZETCQYMHSA-N 1 2 197.238 0.635 20 0 ACADLO CCc1noc([C@@H]2C[N@@H+](C)CCO2)n1 863456481 583309942 /nfs/dbraw/zinc/30/99/42/583309942.db2.gz BNDDGHWFLMMURK-ZETCQYMHSA-N 1 2 197.238 0.635 20 0 ACADLO CC1([NH2+]Cc2cnc[nH]2)COC1 864049105 583314888 /nfs/dbraw/zinc/31/48/88/583314888.db2.gz AKIVVSAIHZNAMY-UHFFFAOYSA-N 1 2 167.212 0.288 20 0 ACADLO CCNC(=O)/C=C\C[NH+]1CCOCC1 864417798 583316489 /nfs/dbraw/zinc/31/64/89/583316489.db2.gz TUMKQLVSRSUEKL-ARJAWSKDSA-N 1 2 198.266 0.011 20 0 ACADLO CCNC(=O)/C=C/C[NH+]1CCOCC1 864417799 583317046 /nfs/dbraw/zinc/31/70/46/583317046.db2.gz TUMKQLVSRSUEKL-ONEGZZNKSA-N 1 2 198.266 0.011 20 0 ACADLO CNC(=O)Cn1c[nH+]c(C(C)(C)C)c1 865374293 583325263 /nfs/dbraw/zinc/32/52/63/583325263.db2.gz ASTOJNCLOYLCTK-UHFFFAOYSA-N 1 2 195.266 0.927 20 0 ACADLO CC(C)(C)c1cn(CC(N)=O)c[nH+]1 865374549 583325817 /nfs/dbraw/zinc/32/58/17/583325817.db2.gz GREAEURAUORHSG-UHFFFAOYSA-N 1 2 181.239 0.666 20 0 ACADLO COC/C=C/C(=O)NCc1c[nH+]c[nH]1 865992782 583330227 /nfs/dbraw/zinc/33/02/27/583330227.db2.gz KEOLBAZWZBWMAQ-NSCUHMNNSA-N 1 2 195.222 0.229 20 0 ACADLO COCC=CC(=O)NCc1c[nH]c[nH+]1 865992782 583330230 /nfs/dbraw/zinc/33/02/30/583330230.db2.gz KEOLBAZWZBWMAQ-NSCUHMNNSA-N 1 2 195.222 0.229 20 0 ACADLO COC/C=C\C(=O)NCc1c[nH+]c[nH]1 865992781 583330401 /nfs/dbraw/zinc/33/04/01/583330401.db2.gz KEOLBAZWZBWMAQ-IHWYPQMZSA-N 1 2 195.222 0.229 20 0 ACADLO COCC=CC(=O)NCc1c[nH]c[nH+]1 865992781 583330402 /nfs/dbraw/zinc/33/04/02/583330402.db2.gz KEOLBAZWZBWMAQ-IHWYPQMZSA-N 1 2 195.222 0.229 20 0 ACADLO CCONC(=O)N(C)Cc1[nH]cc[nH+]1 867976100 583335477 /nfs/dbraw/zinc/33/54/77/583335477.db2.gz UQXOKXSEGRWBDQ-UHFFFAOYSA-N 1 2 198.226 0.503 20 0 ACADLO Cc1cc(NCC[S@](C)=O)nc[nH+]1 124007547 583361002 /nfs/dbraw/zinc/36/10/02/583361002.db2.gz ZCWPCNIWZMDUEJ-CYBMUJFWSA-N 1 2 199.279 0.575 20 0 ACADLO Cc1cc(NCC[S@@](C)=O)nc[nH+]1 124007721 583361415 /nfs/dbraw/zinc/36/14/15/583361415.db2.gz ZCWPCNIWZMDUEJ-ZDUSSCGKSA-N 1 2 199.279 0.575 20 0 ACADLO C[S@@](=O)CCNc1cccc[nH+]1 124026789 583361599 /nfs/dbraw/zinc/36/15/99/583361599.db2.gz RQSBKYGKARLLJR-LBPRGKRZSA-N 1 2 184.264 0.872 20 0 ACADLO C[S@](=O)CCNc1cccc[nH+]1 124027002 583361668 /nfs/dbraw/zinc/36/16/68/583361668.db2.gz RQSBKYGKARLLJR-GFCCVEGCSA-N 1 2 184.264 0.872 20 0 ACADLO CC1(C[NH2+]Cc2ccon2)OCCO1 873099467 583370403 /nfs/dbraw/zinc/37/04/03/583370403.db2.gz KBNOKDGPYBIXMH-UHFFFAOYSA-N 1 2 198.222 0.527 20 0 ACADLO COCCOc1ccc(N)[nH+]c1 19869195 583372944 /nfs/dbraw/zinc/37/29/44/583372944.db2.gz UVLKYNJCBYBJRS-UHFFFAOYSA-N 1 2 168.196 0.689 20 0 ACADLO C[C@@H](NC(=O)N(C)C)c1[nH]cc[nH+]1 125451786 583383897 /nfs/dbraw/zinc/38/38/97/583383897.db2.gz XOLZOKDPRRXDNR-ZCFIWIBFSA-N 1 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/nfs/dbraw/zinc/40/79/47/583407947.db2.gz PVYWEYJZCTVOMI-UHFFFAOYSA-N 1 2 185.223 0.024 20 0 ACADLO CC(=O)C[N@H+]1CCC2(C1)OCCO2 878236862 583407949 /nfs/dbraw/zinc/40/79/49/583407949.db2.gz PVYWEYJZCTVOMI-UHFFFAOYSA-N 1 2 185.223 0.024 20 0 ACADLO CC(=O)C[N@@H+]1CCCC2(C1)OCCO2 878283852 583408770 /nfs/dbraw/zinc/40/87/70/583408770.db2.gz QUCVJNCXUDFFMR-UHFFFAOYSA-N 1 2 199.250 0.414 20 0 ACADLO CC(=O)C[N@H+]1CCCC2(C1)OCCO2 878283852 583408774 /nfs/dbraw/zinc/40/87/74/583408774.db2.gz QUCVJNCXUDFFMR-UHFFFAOYSA-N 1 2 199.250 0.414 20 0 ACADLO CC(=O)C[N@@H+]1CCC[C@]12CCOC2=O 878463829 583410585 /nfs/dbraw/zinc/41/05/85/583410585.db2.gz JNRXATNQALIXDH-SNVBAGLBSA-N 1 2 197.234 0.357 20 0 ACADLO CC(=O)C[N@H+]1CCC[C@]12CCOC2=O 878463829 583410588 /nfs/dbraw/zinc/41/05/88/583410588.db2.gz JNRXATNQALIXDH-SNVBAGLBSA-N 1 2 197.234 0.357 20 0 ACADLO CC(=O)C[N@@H+]1CCC[C@@]12CCOC2=O 878463828 583410719 /nfs/dbraw/zinc/41/07/19/583410719.db2.gz JNRXATNQALIXDH-JTQLQIEISA-N 1 2 197.234 0.357 20 0 ACADLO CC(=O)C[N@H+]1CCC[C@@]12CCOC2=O 878463828 583410721 /nfs/dbraw/zinc/41/07/21/583410721.db2.gz JNRXATNQALIXDH-JTQLQIEISA-N 1 2 197.234 0.357 20 0 ACADLO Cc1nc(NCC[S@](C)=O)cc[nH+]1 127194032 583412522 /nfs/dbraw/zinc/41/25/22/583412522.db2.gz UYXCJCKESHVUND-CYBMUJFWSA-N 1 2 199.279 0.575 20 0 ACADLO Cc1nc(NCC[S@@](C)=O)cc[nH+]1 127194235 583412554 /nfs/dbraw/zinc/41/25/54/583412554.db2.gz UYXCJCKESHVUND-ZDUSSCGKSA-N 1 2 199.279 0.575 20 0 ACADLO CNC(=O)C[N@@H+]1CCC=C(Cl)C1 878790032 583413952 /nfs/dbraw/zinc/41/39/52/583413952.db2.gz BIYPUCKGRNXZMB-UHFFFAOYSA-N 1 2 188.658 0.561 20 0 ACADLO CNC(=O)C[N@H+]1CCC=C(Cl)C1 878790032 583413956 /nfs/dbraw/zinc/41/39/56/583413956.db2.gz BIYPUCKGRNXZMB-UHFFFAOYSA-N 1 2 188.658 0.561 20 0 ACADLO CC[C@H](O)C[N@H+](C)Cc1cn[nH]c1C 879185120 583416913 /nfs/dbraw/zinc/41/69/13/583416913.db2.gz FJCHIROCKKCIGW-JTQLQIEISA-N 1 2 197.282 0.921 20 0 ACADLO CC[C@H](O)C[N@@H+](C)Cc1cn[nH]c1C 879185120 583416915 /nfs/dbraw/zinc/41/69/15/583416915.db2.gz FJCHIROCKKCIGW-JTQLQIEISA-N 1 2 197.282 0.921 20 0 ACADLO Cn1nnnc1C[NH+]1CCC(F)CC1 880242932 583427818 /nfs/dbraw/zinc/42/78/18/583427818.db2.gz QOTWBCOACIUIAD-UHFFFAOYSA-N 1 2 199.233 0.144 20 0 ACADLO Cn1ncc(C[NH+]2CCC(F)CC2)n1 880239585 583427901 /nfs/dbraw/zinc/42/79/01/583427901.db2.gz MMSRGJGDWPJAFG-UHFFFAOYSA-N 1 2 198.245 0.749 20 0 ACADLO FC[C@@H]1CC[N@H+](Cc2cnn[nH]2)C1 880299953 583427952 /nfs/dbraw/zinc/42/79/52/583427952.db2.gz MXQSFESAGGXXJY-ZETCQYMHSA-N 1 2 184.218 0.596 20 0 ACADLO FC[C@@H]1CC[N@@H+](Cc2cnn[nH]2)C1 880299953 583427956 /nfs/dbraw/zinc/42/79/56/583427956.db2.gz MXQSFESAGGXXJY-ZETCQYMHSA-N 1 2 184.218 0.596 20 0 ACADLO FC[C@@H]1CC[N@H+](Cc2c[nH]nn2)C1 880299953 583427959 /nfs/dbraw/zinc/42/79/59/583427959.db2.gz MXQSFESAGGXXJY-ZETCQYMHSA-N 1 2 184.218 0.596 20 0 ACADLO FC[C@@H]1CC[N@@H+](Cc2c[nH]nn2)C1 880299953 583427960 /nfs/dbraw/zinc/42/79/60/583427960.db2.gz MXQSFESAGGXXJY-ZETCQYMHSA-N 1 2 184.218 0.596 20 0 ACADLO FC[C@@H]1CC[N@H+](Cc2cn[nH]n2)C1 880299953 583427963 /nfs/dbraw/zinc/42/79/63/583427963.db2.gz MXQSFESAGGXXJY-ZETCQYMHSA-N 1 2 184.218 0.596 20 0 ACADLO FC[C@@H]1CC[N@@H+](Cc2cn[nH]n2)C1 880299953 583427966 /nfs/dbraw/zinc/42/79/66/583427966.db2.gz MXQSFESAGGXXJY-ZETCQYMHSA-N 1 2 184.218 0.596 20 0 ACADLO O=C1OCC[C@@H]1[NH+]1CCC(F)CC1 880242557 583428100 /nfs/dbraw/zinc/42/81/00/583428100.db2.gz CYUGPXSZWDIVLT-QMMMGPOBSA-N 1 2 187.214 0.736 20 0 ACADLO Cn1cnnc1C[NH+]1CCC(F)CC1 880239839 583428166 /nfs/dbraw/zinc/42/81/66/583428166.db2.gz GIGWXMNQTAUGOJ-UHFFFAOYSA-N 1 2 198.245 0.749 20 0 ACADLO FC1CC[NH+](Cc2cnn[nH]2)CC1 880239783 583428226 /nfs/dbraw/zinc/42/82/26/583428226.db2.gz QLAUFAZQCKGRKM-UHFFFAOYSA-N 1 2 184.218 0.739 20 0 ACADLO FC1CC[NH+](Cc2c[nH]nn2)CC1 880239783 583428227 /nfs/dbraw/zinc/42/82/27/583428227.db2.gz QLAUFAZQCKGRKM-UHFFFAOYSA-N 1 2 184.218 0.739 20 0 ACADLO FC[C@H]1CCC[N@H+](Cc2cnn[nH]2)C1 880238085 583428277 /nfs/dbraw/zinc/42/82/77/583428277.db2.gz OBQCDHZNVABAGA-MRVPVSSYSA-N 1 2 198.245 0.986 20 0 ACADLO FC[C@H]1CCC[N@@H+](Cc2cnn[nH]2)C1 880238085 583428279 /nfs/dbraw/zinc/42/82/79/583428279.db2.gz OBQCDHZNVABAGA-MRVPVSSYSA-N 1 2 198.245 0.986 20 0 ACADLO FC[C@H]1CCC[N@H+](Cc2c[nH]nn2)C1 880238085 583428280 /nfs/dbraw/zinc/42/82/80/583428280.db2.gz OBQCDHZNVABAGA-MRVPVSSYSA-N 1 2 198.245 0.986 20 0 ACADLO FC[C@H]1CCC[N@@H+](Cc2c[nH]nn2)C1 880238085 583428282 /nfs/dbraw/zinc/42/82/82/583428282.db2.gz OBQCDHZNVABAGA-MRVPVSSYSA-N 1 2 198.245 0.986 20 0 ACADLO FC[C@H]1CCC[N@H+](Cc2cn[nH]n2)C1 880238085 583428283 /nfs/dbraw/zinc/42/82/83/583428283.db2.gz OBQCDHZNVABAGA-MRVPVSSYSA-N 1 2 198.245 0.986 20 0 ACADLO FC[C@H]1CCC[N@@H+](Cc2cn[nH]n2)C1 880238085 583428286 /nfs/dbraw/zinc/42/82/86/583428286.db2.gz OBQCDHZNVABAGA-MRVPVSSYSA-N 1 2 198.245 0.986 20 0 ACADLO FC[C@H]1CC[N@H+](Cc2cnn[nH]2)C1 880299952 583428353 /nfs/dbraw/zinc/42/83/53/583428353.db2.gz MXQSFESAGGXXJY-SSDOTTSWSA-N 1 2 184.218 0.596 20 0 ACADLO FC[C@H]1CC[N@@H+](Cc2cnn[nH]2)C1 880299952 583428355 /nfs/dbraw/zinc/42/83/55/583428355.db2.gz MXQSFESAGGXXJY-SSDOTTSWSA-N 1 2 184.218 0.596 20 0 ACADLO FC[C@H]1CC[N@H+](Cc2c[nH]nn2)C1 880299952 583428358 /nfs/dbraw/zinc/42/83/58/583428358.db2.gz MXQSFESAGGXXJY-SSDOTTSWSA-N 1 2 184.218 0.596 20 0 ACADLO FC[C@H]1CC[N@@H+](Cc2c[nH]nn2)C1 880299952 583428361 /nfs/dbraw/zinc/42/83/61/583428361.db2.gz MXQSFESAGGXXJY-SSDOTTSWSA-N 1 2 184.218 0.596 20 0 ACADLO FC[C@H]1CC[N@H+](Cc2cn[nH]n2)C1 880299952 583428365 /nfs/dbraw/zinc/42/83/65/583428365.db2.gz MXQSFESAGGXXJY-SSDOTTSWSA-N 1 2 184.218 0.596 20 0 ACADLO FC[C@H]1CC[N@@H+](Cc2cn[nH]n2)C1 880299952 583428368 /nfs/dbraw/zinc/42/83/68/583428368.db2.gz MXQSFESAGGXXJY-SSDOTTSWSA-N 1 2 184.218 0.596 20 0 ACADLO Cn1cc(C[NH+]2CCC(F)CC2)nn1 880239908 583428407 /nfs/dbraw/zinc/42/84/07/583428407.db2.gz JRZAIFKPZZHWOB-UHFFFAOYSA-N 1 2 198.245 0.749 20 0 ACADLO O=C1OCC[C@H]1[NH+]1CCC(F)CC1 880242556 583428527 /nfs/dbraw/zinc/42/85/27/583428527.db2.gz CYUGPXSZWDIVLT-MRVPVSSYSA-N 1 2 187.214 0.736 20 0 ACADLO Cn1ncnc1C[NH+]1CCC(F)CC1 880241732 583428542 /nfs/dbraw/zinc/42/85/42/583428542.db2.gz HXFVQNDQEBURBP-UHFFFAOYSA-N 1 2 198.245 0.749 20 0 ACADLO FC[C@@H]1CCC[N@H+](Cc2cnn[nH]2)C1 880238086 583428619 /nfs/dbraw/zinc/42/86/19/583428619.db2.gz OBQCDHZNVABAGA-QMMMGPOBSA-N 1 2 198.245 0.986 20 0 ACADLO FC[C@@H]1CCC[N@@H+](Cc2cnn[nH]2)C1 880238086 583428620 /nfs/dbraw/zinc/42/86/20/583428620.db2.gz OBQCDHZNVABAGA-QMMMGPOBSA-N 1 2 198.245 0.986 20 0 ACADLO FC[C@@H]1CCC[N@H+](Cc2c[nH]nn2)C1 880238086 583428621 /nfs/dbraw/zinc/42/86/21/583428621.db2.gz OBQCDHZNVABAGA-QMMMGPOBSA-N 1 2 198.245 0.986 20 0 ACADLO FC[C@@H]1CCC[N@@H+](Cc2c[nH]nn2)C1 880238086 583428622 /nfs/dbraw/zinc/42/86/22/583428622.db2.gz OBQCDHZNVABAGA-QMMMGPOBSA-N 1 2 198.245 0.986 20 0 ACADLO FC[C@@H]1CCC[N@H+](Cc2cn[nH]n2)C1 880238086 583428623 /nfs/dbraw/zinc/42/86/23/583428623.db2.gz OBQCDHZNVABAGA-QMMMGPOBSA-N 1 2 198.245 0.986 20 0 ACADLO FC[C@@H]1CCC[N@@H+](Cc2cn[nH]n2)C1 880238086 583428624 /nfs/dbraw/zinc/42/86/24/583428624.db2.gz OBQCDHZNVABAGA-QMMMGPOBSA-N 1 2 198.245 0.986 20 0 ACADLO FC1CC[NH+](CCc2cnn[nH]2)CC1 880239970 583428644 /nfs/dbraw/zinc/42/86/44/583428644.db2.gz UYMRNQJVCVFPML-UHFFFAOYSA-N 1 2 198.245 0.781 20 0 ACADLO FC[C@@H]1CC[N@H+](CCc2cnn[nH]2)C1 880300402 583431219 /nfs/dbraw/zinc/43/12/19/583431219.db2.gz RNFZTWMBWGCYPP-QMMMGPOBSA-N 1 2 198.245 0.639 20 0 ACADLO Cn1nnnc1C[N@@H+]1CC[C@@H](CF)C1 880293235 583429297 /nfs/dbraw/zinc/42/92/97/583429297.db2.gz GBHVWEKEKPKPFF-ZETCQYMHSA-N 1 2 199.233 0.002 20 0 ACADLO Cn1nnnc1C[N@H+]1CC[C@@H](CF)C1 880293235 583429299 /nfs/dbraw/zinc/42/92/99/583429299.db2.gz GBHVWEKEKPKPFF-ZETCQYMHSA-N 1 2 199.233 0.002 20 0 ACADLO Cn1nnnc1C[N@@H+]1CC[C@H](CF)C1 880293234 583429682 /nfs/dbraw/zinc/42/96/82/583429682.db2.gz GBHVWEKEKPKPFF-SSDOTTSWSA-N 1 2 199.233 0.002 20 0 ACADLO Cn1nnnc1C[N@H+]1CC[C@H](CF)C1 880293234 583429684 /nfs/dbraw/zinc/42/96/84/583429684.db2.gz GBHVWEKEKPKPFF-SSDOTTSWSA-N 1 2 199.233 0.002 20 0 ACADLO Cc1nnc(C[N@@H+]2CC[C@@H](CF)C2)[nH]1 880300825 583430565 /nfs/dbraw/zinc/43/05/65/583430565.db2.gz XJGJQXAURVTVGW-QMMMGPOBSA-N 1 2 198.245 0.905 20 0 ACADLO Cc1nnc(C[N@H+]2CC[C@@H](CF)C2)[nH]1 880300825 583430568 /nfs/dbraw/zinc/43/05/68/583430568.db2.gz XJGJQXAURVTVGW-QMMMGPOBSA-N 1 2 198.245 0.905 20 0 ACADLO Cn1nnc(C[N@@H+]2CC[C@@H](CF)C2)n1 880299862 583430696 /nfs/dbraw/zinc/43/06/96/583430696.db2.gz YQVVUCIUIKWSDJ-ZETCQYMHSA-N 1 2 199.233 0.002 20 0 ACADLO Cn1nnc(C[N@H+]2CC[C@@H](CF)C2)n1 880299862 583430697 /nfs/dbraw/zinc/43/06/97/583430697.db2.gz YQVVUCIUIKWSDJ-ZETCQYMHSA-N 1 2 199.233 0.002 20 0 ACADLO Cn1nnc(C[N@@H+]2CC[C@H](CF)C2)n1 880299861 583430714 /nfs/dbraw/zinc/43/07/14/583430714.db2.gz YQVVUCIUIKWSDJ-SSDOTTSWSA-N 1 2 199.233 0.002 20 0 ACADLO Cn1nnc(C[N@H+]2CC[C@H](CF)C2)n1 880299861 583430716 /nfs/dbraw/zinc/43/07/16/583430716.db2.gz YQVVUCIUIKWSDJ-SSDOTTSWSA-N 1 2 199.233 0.002 20 0 ACADLO FC[C@H]1CC[N@H+](CCc2cnn[nH]2)C1 880300401 583430974 /nfs/dbraw/zinc/43/09/74/583430974.db2.gz RNFZTWMBWGCYPP-MRVPVSSYSA-N 1 2 198.245 0.639 20 0 ACADLO FC[C@H]1CC[N@@H+](CCc2cnn[nH]2)C1 880300401 583430978 /nfs/dbraw/zinc/43/09/78/583430978.db2.gz RNFZTWMBWGCYPP-MRVPVSSYSA-N 1 2 198.245 0.639 20 0 ACADLO Cc1nnc(C[N@@H+]2CC[C@H](CF)C2)[nH]1 880300824 583431118 /nfs/dbraw/zinc/43/11/18/583431118.db2.gz XJGJQXAURVTVGW-MRVPVSSYSA-N 1 2 198.245 0.905 20 0 ACADLO Cc1nnc(C[N@H+]2CC[C@H](CF)C2)[nH]1 880300824 583431120 /nfs/dbraw/zinc/43/11/20/583431120.db2.gz XJGJQXAURVTVGW-MRVPVSSYSA-N 1 2 198.245 0.905 20 0 ACADLO FC[C@@H]1CC[N@@H+](CCc2cnn[nH]2)C1 880300402 583431221 /nfs/dbraw/zinc/43/12/21/583431221.db2.gz RNFZTWMBWGCYPP-QMMMGPOBSA-N 1 2 198.245 0.639 20 0 ACADLO Cc1nonc1C[N@@H+](C)CC[C@H](C)O 128548445 583437773 /nfs/dbraw/zinc/43/77/73/583437773.db2.gz BYNAZBBPDFYVCY-ZETCQYMHSA-N 1 2 199.254 0.581 20 0 ACADLO Cc1nonc1C[N@H+](C)CC[C@H](C)O 128548445 583437777 /nfs/dbraw/zinc/43/77/77/583437777.db2.gz BYNAZBBPDFYVCY-ZETCQYMHSA-N 1 2 199.254 0.581 20 0 ACADLO Cc1[nH]c(C(=O)NC2CSC2)c[nH+]1 880735189 583438947 /nfs/dbraw/zinc/43/89/47/583438947.db2.gz OOBBCCDYXBDQAE-UHFFFAOYSA-N 1 2 197.263 0.563 20 0 ACADLO C/C=C\C(=O)NCc1[nH+]ccn1C 211462171 583441163 /nfs/dbraw/zinc/44/11/63/583441163.db2.gz ZSBILYWVVDGQGV-ARJAWSKDSA-N 1 2 179.223 0.612 20 0 ACADLO C/C=C\C(=O)N(C)Cc1[nH]cc[nH+]1 211495850 583442354 /nfs/dbraw/zinc/44/23/54/583442354.db2.gz XTHHBVIYVGFTOH-ARJAWSKDSA-N 1 2 179.223 0.944 20 0 ACADLO C[C@H]1CCN1C(=O)CCc1c[nH+]c[nH]1 881483171 583444763 /nfs/dbraw/zinc/44/47/63/583444763.db2.gz ZKQQXPDVZLLZAJ-QMMMGPOBSA-N 1 2 193.250 0.963 20 0 ACADLO C[C@H]1CCN1C(=O)CCc1c[nH]c[nH+]1 881483171 583444765 /nfs/dbraw/zinc/44/47/65/583444765.db2.gz ZKQQXPDVZLLZAJ-QMMMGPOBSA-N 1 2 193.250 0.963 20 0 ACADLO C[C@@H]1CCN1C(=O)CCc1c[nH+]c[nH]1 881483170 583444833 /nfs/dbraw/zinc/44/48/33/583444833.db2.gz ZKQQXPDVZLLZAJ-MRVPVSSYSA-N 1 2 193.250 0.963 20 0 ACADLO C[C@@H]1CCN1C(=O)CCc1c[nH]c[nH+]1 881483170 583444835 /nfs/dbraw/zinc/44/48/35/583444835.db2.gz ZKQQXPDVZLLZAJ-MRVPVSSYSA-N 1 2 193.250 0.963 20 0 ACADLO CC[N@H+](CCCO)Cc1nonc1C 129167682 583446601 /nfs/dbraw/zinc/44/66/01/583446601.db2.gz KIAVKMQKIVWITJ-UHFFFAOYSA-N 1 2 199.254 0.582 20 0 ACADLO CC[N@@H+](CCCO)Cc1nonc1C 129167682 583446604 /nfs/dbraw/zinc/44/66/04/583446604.db2.gz KIAVKMQKIVWITJ-UHFFFAOYSA-N 1 2 199.254 0.582 20 0 ACADLO OCc1cc[nH+]c(N[C@@H]2CC[C@H]2O)c1 882484193 583454023 /nfs/dbraw/zinc/45/40/23/583454023.db2.gz VSFWXHOZQWURRF-RKDXNWHRSA-N 1 2 194.234 0.509 20 0 ACADLO O[C@@H]1CC[C@H]1Nc1cc[nH+]cc1F 882484271 583454177 /nfs/dbraw/zinc/45/41/77/583454177.db2.gz XUMBZURZZOMBOR-RKDXNWHRSA-N 1 2 182.198 0.578 20 0 ACADLO NC(CO)=[NH+]OC1CCC1 883012761 583458783 /nfs/dbraw/zinc/45/87/83/583458783.db2.gz RROAMOJXWNFXSN-UHFFFAOYSA-N 1 2 144.174 0.030 20 0 ACADLO Cc1ncccc1CO[NH+]=C(N)CO 883012764 583459242 /nfs/dbraw/zinc/45/92/42/583459242.db2.gz RVABIYPLOFUWRP-UHFFFAOYSA-N 1 2 195.222 0.381 20 0 ACADLO NC(CO)=[NH+]OCCCC1CC1 883013279 583460439 /nfs/dbraw/zinc/46/04/39/583460439.db2.gz KCUVVZXXGHRQGU-UHFFFAOYSA-N 1 2 172.228 0.667 20 0 ACADLO NC(CO)=[NH+]OCc1ccc(F)cn1 883012863 583460441 /nfs/dbraw/zinc/46/04/41/583460441.db2.gz VYTGSKKHLMIFRN-UHFFFAOYSA-N 1 2 199.185 0.211 20 0 ACADLO C[C@@H](C[NH+](C)C)NC(=O)C(F)(F)F 130753188 583460543 /nfs/dbraw/zinc/46/05/43/583460543.db2.gz GDHYEPSIFOQGDL-YFKPBYRVSA-N 1 2 198.188 0.615 20 0 ACADLO CC/C=C\CCO[NH+]=C(N)CO 883012842 583460595 /nfs/dbraw/zinc/46/05/95/583460595.db2.gz VQIHBIDIMYRRLH-ARJAWSKDSA-N 1 2 172.228 0.833 20 0 ACADLO NC(CO)=[NH+]OCCC1CCC1 883013762 583460648 /nfs/dbraw/zinc/46/06/48/583460648.db2.gz ZKECGYNGSSLODM-UHFFFAOYSA-N 1 2 172.228 0.667 20 0 ACADLO CCC(CC)CO[NH+]=C(N)CO 883013063 583460669 /nfs/dbraw/zinc/46/06/69/583460669.db2.gz CTSRUCVOLKKESV-UHFFFAOYSA-N 1 2 174.244 0.913 20 0 ACADLO NC(CO)=[NH+]OCC1CC=CC1 883013295 583460841 /nfs/dbraw/zinc/46/08/41/583460841.db2.gz KKWUQORLOPPRFM-UHFFFAOYSA-N 1 2 170.212 0.443 20 0 ACADLO CC(C)=CCCO[NH+]=C(N)CO 883013204 583460882 /nfs/dbraw/zinc/46/08/82/583460882.db2.gz IHDVOCNTNONSNP-UHFFFAOYSA-N 1 2 172.228 0.833 20 0 ACADLO C=C/C=C/CCO[NH+]=C(N)CO 883013543 583460909 /nfs/dbraw/zinc/46/09/09/583460909.db2.gz RGFYBVBJFXBWPY-ONEGZZNKSA-N 1 2 170.212 0.609 20 0 ACADLO CC/C=C/CCO[NH+]=C(N)CO 883012843 583460993 /nfs/dbraw/zinc/46/09/93/583460993.db2.gz VQIHBIDIMYRRLH-ONEGZZNKSA-N 1 2 172.228 0.833 20 0 ACADLO COC1(CO[NH+]=C(N)CO)CCC1 883012885 583461060 /nfs/dbraw/zinc/46/10/60/583461060.db2.gz WSGRJDBSDNOECF-UHFFFAOYSA-N 1 2 188.227 0.046 20 0 ACADLO NC(CO)=[NH+]OCC=C(Cl)Cl 883013134 583461164 /nfs/dbraw/zinc/46/11/64/583461164.db2.gz GFHUREFTXAROJG-UHFFFAOYSA-N 1 2 199.037 0.796 20 0 ACADLO NC(CO)=[NH+]OCCCCF 883012864 583461218 /nfs/dbraw/zinc/46/12/18/583461218.db2.gz VZFVNWAGADEXPW-UHFFFAOYSA-N 1 2 164.180 0.227 20 0 ACADLO CC1(C)CC(O[NH+]=C(N)CO)C1 883013564 583461253 /nfs/dbraw/zinc/46/12/53/583461253.db2.gz RYTXHGMSXLLQMB-UHFFFAOYSA-N 1 2 172.228 0.666 20 0 ACADLO C=C/C=C\CCO[NH+]=C(N)CO 883013542 583461268 /nfs/dbraw/zinc/46/12/68/583461268.db2.gz RGFYBVBJFXBWPY-ARJAWSKDSA-N 1 2 170.212 0.609 20 0 ACADLO CON(C)CC[NH2+]Cc1cn[nH]c1C 883172836 583463314 /nfs/dbraw/zinc/46/33/14/583463314.db2.gz VBKMJFWXXMDFOM-UHFFFAOYSA-N 1 2 198.270 0.301 20 0 ACADLO CCn1cc(C[N@H+](CC)CCO)nn1 884001048 583472854 /nfs/dbraw/zinc/47/28/54/583472854.db2.gz XCPPOIIEVBLPDY-UHFFFAOYSA-N 1 2 198.270 0.112 20 0 ACADLO CCn1cc(C[N@@H+](CC)CCO)nn1 884001048 583472858 /nfs/dbraw/zinc/47/28/58/583472858.db2.gz XCPPOIIEVBLPDY-UHFFFAOYSA-N 1 2 198.270 0.112 20 0 ACADLO CCn1cc(C[N@H+](C)C[C@H](C)O)nn1 884002565 583473038 /nfs/dbraw/zinc/47/30/38/583473038.db2.gz MYNWLEJJUWGJHZ-QMMMGPOBSA-N 1 2 198.270 0.111 20 0 ACADLO CCn1cc(C[N@@H+](C)C[C@H](C)O)nn1 884002565 583473041 /nfs/dbraw/zinc/47/30/41/583473041.db2.gz MYNWLEJJUWGJHZ-QMMMGPOBSA-N 1 2 198.270 0.111 20 0 ACADLO CCn1cc(C[N@H+](C)C[C@@H](C)O)nn1 884002564 583473064 /nfs/dbraw/zinc/47/30/64/583473064.db2.gz MYNWLEJJUWGJHZ-MRVPVSSYSA-N 1 2 198.270 0.111 20 0 ACADLO CCn1cc(C[N@@H+](C)C[C@@H](C)O)nn1 884002564 583473066 /nfs/dbraw/zinc/47/30/66/583473066.db2.gz MYNWLEJJUWGJHZ-MRVPVSSYSA-N 1 2 198.270 0.111 20 0 ACADLO COC(=O)Cc1ccc[nH+]c1N 214896793 583475730 /nfs/dbraw/zinc/47/57/30/583475730.db2.gz QNMKGYLZQSGRSF-UHFFFAOYSA-N 1 2 166.180 0.379 20 0 ACADLO O[C@H]1C[C@H](Nc2cccc[nH+]2)C[C@H]1O 884619672 583481550 /nfs/dbraw/zinc/48/15/50/583481550.db2.gz JXMIDRLTXXOVLQ-PSVAKVPMSA-N 1 2 194.234 0.378 20 0 ACADLO O[C@H]1C[C@@H](Nc2cccc[nH+]2)C[C@H]1O 884622279 583481736 /nfs/dbraw/zinc/48/17/36/583481736.db2.gz JXMIDRLTXXOVLQ-AYMMMOKOSA-N 1 2 194.234 0.378 20 0 ACADLO C/C=C/C(=O)NCCc1[nH]cc[nH+]1 135354896 583483146 /nfs/dbraw/zinc/48/31/46/583483146.db2.gz WLUVIDPHPSJGHX-NSCUHMNNSA-N 1 2 179.223 0.645 20 0 ACADLO COC(=O)NCCn1cc[nH+]c1 135861650 583486187 /nfs/dbraw/zinc/48/61/87/583486187.db2.gz UUXRZUXSDKXPEY-UHFFFAOYSA-N 1 2 169.184 0.239 20 0 ACADLO COC(=O)N(C)Cc1[nH+]ccn1C 135863455 583486511 /nfs/dbraw/zinc/48/65/11/583486511.db2.gz ICPSVTVULJFFBI-UHFFFAOYSA-N 1 2 183.211 0.618 20 0 ACADLO Cc1nc(C[N@H+]2C[C@H]3C[C@H]3C2)no1 886330689 583495982 /nfs/dbraw/zinc/49/59/82/583495982.db2.gz WADRAHMGCOHWPY-OCAPTIKFSA-N 1 2 179.223 0.830 20 0 ACADLO Cc1nc(C[N@@H+]2C[C@H]3C[C@H]3C2)no1 886330689 583495983 /nfs/dbraw/zinc/49/59/83/583495983.db2.gz WADRAHMGCOHWPY-OCAPTIKFSA-N 1 2 179.223 0.830 20 0 ACADLO c1nn[nH]c1CC[N@H+]1C[C@H]2C[C@H]2C1 886348368 583496973 /nfs/dbraw/zinc/49/69/73/583496973.db2.gz LIBKVCVOIUMATH-OCAPTIKFSA-N 1 2 178.239 0.299 20 0 ACADLO c1nn[nH]c1CC[N@@H+]1C[C@H]2C[C@H]2C1 886348368 583496976 /nfs/dbraw/zinc/49/69/76/583496976.db2.gz LIBKVCVOIUMATH-OCAPTIKFSA-N 1 2 178.239 0.299 20 0 ACADLO CCc1nnc(C[N@H+]2C[C@H]3C[C@H]3C2)[nH]1 886346725 583497149 /nfs/dbraw/zinc/49/71/49/583497149.db2.gz PRTUUSGYIBEINM-OCAPTIKFSA-N 1 2 192.266 0.819 20 0 ACADLO CCc1nnc(C[N@@H+]2C[C@H]3C[C@H]3C2)[nH]1 886346725 583497150 /nfs/dbraw/zinc/49/71/50/583497150.db2.gz PRTUUSGYIBEINM-OCAPTIKFSA-N 1 2 192.266 0.819 20 0 ACADLO c1nsnc1C[N@H+]1C[C@H]2C[C@H]2C1 886348957 583497937 /nfs/dbraw/zinc/49/79/37/583497937.db2.gz VTPLLTGXEVUNEQ-KNVOCYPGSA-N 1 2 181.264 0.990 20 0 ACADLO c1nsnc1C[N@@H+]1C[C@H]2C[C@H]2C1 886348957 583497938 /nfs/dbraw/zinc/49/79/38/583497938.db2.gz VTPLLTGXEVUNEQ-KNVOCYPGSA-N 1 2 181.264 0.990 20 0 ACADLO C[N@H+](Cc1cnn[nH]1)[C@@H]1CCC[C@H]1O 886481073 583498935 /nfs/dbraw/zinc/49/89/35/583498935.db2.gz LPWGGNZJYOJQQN-RKDXNWHRSA-N 1 2 196.254 0.150 20 0 ACADLO C[N@@H+](Cc1cnn[nH]1)[C@@H]1CCC[C@H]1O 886481073 583498936 /nfs/dbraw/zinc/49/89/36/583498936.db2.gz LPWGGNZJYOJQQN-RKDXNWHRSA-N 1 2 196.254 0.150 20 0 ACADLO C[N@H+](Cc1c[nH]nn1)[C@@H]1CCC[C@H]1O 886481073 583498939 /nfs/dbraw/zinc/49/89/39/583498939.db2.gz LPWGGNZJYOJQQN-RKDXNWHRSA-N 1 2 196.254 0.150 20 0 ACADLO C[N@@H+](Cc1c[nH]nn1)[C@@H]1CCC[C@H]1O 886481073 583498940 /nfs/dbraw/zinc/49/89/40/583498940.db2.gz LPWGGNZJYOJQQN-RKDXNWHRSA-N 1 2 196.254 0.150 20 0 ACADLO C[N@@H+](Cc1cn[nH]n1)[C@@H]1CCC[C@H]1O 886481073 583498946 /nfs/dbraw/zinc/49/89/46/583498946.db2.gz LPWGGNZJYOJQQN-RKDXNWHRSA-N 1 2 196.254 0.150 20 0 ACADLO C[N@H+](Cc1cn[nH]n1)[C@@H]1CCC[C@H]1O 886481073 583498943 /nfs/dbraw/zinc/49/89/43/583498943.db2.gz LPWGGNZJYOJQQN-RKDXNWHRSA-N 1 2 196.254 0.150 20 0 ACADLO CON(C)C(=O)CCn1cc[nH+]c1 219744785 583499280 /nfs/dbraw/zinc/49/92/80/583499280.db2.gz CPPQCRVCEGWSNO-UHFFFAOYSA-N 1 2 183.211 0.293 20 0 ACADLO COC[C@H]([NH3+])c1nc([C@H]2C[C@@H]2C)no1 220117696 583500404 /nfs/dbraw/zinc/50/04/04/583500404.db2.gz USHRNRSANCXVCF-ACZMJKKPSA-N 1 2 197.238 0.839 20 0 ACADLO COC[C@H]([NH3+])c1nc([C@@H]2C[C@@H]2C)no1 220117623 583500711 /nfs/dbraw/zinc/50/07/11/583500711.db2.gz USHRNRSANCXVCF-XVMARJQXSA-N 1 2 197.238 0.839 20 0 ACADLO C[C@H]1C[N@H+](CCF)CCO1 221840898 583505720 /nfs/dbraw/zinc/50/57/20/583505720.db2.gz UZWXCDXGIDIEFW-ZETCQYMHSA-N 1 2 147.193 0.677 20 0 ACADLO C[C@H]1C[N@@H+](CCF)CCO1 221840898 583505723 /nfs/dbraw/zinc/50/57/23/583505723.db2.gz UZWXCDXGIDIEFW-ZETCQYMHSA-N 1 2 147.193 0.677 20 0 ACADLO C[N@H+](CCCF)Cc1nccc(N)n1 887141547 583505937 /nfs/dbraw/zinc/50/59/37/583505937.db2.gz ZASVPFVPNLPRQI-UHFFFAOYSA-N 1 2 198.245 0.850 20 0 ACADLO C[N@@H+](CCCF)Cc1nccc(N)n1 887141547 583505938 /nfs/dbraw/zinc/50/59/38/583505938.db2.gz ZASVPFVPNLPRQI-UHFFFAOYSA-N 1 2 198.245 0.850 20 0 ACADLO Cn1ncc(C[N@H+](C)CCCF)n1 887142251 583506311 /nfs/dbraw/zinc/50/63/11/583506311.db2.gz BZEMGUVRCDJWTI-UHFFFAOYSA-N 1 2 186.234 0.607 20 0 ACADLO Cn1ncc(C[N@@H+](C)CCCF)n1 887142251 583506313 /nfs/dbraw/zinc/50/63/13/583506313.db2.gz BZEMGUVRCDJWTI-UHFFFAOYSA-N 1 2 186.234 0.607 20 0 ACADLO C[N@H+](CCCF)Cc1cnon1 887142434 583506546 /nfs/dbraw/zinc/50/65/46/583506546.db2.gz JXFSKNAMMZXKHV-UHFFFAOYSA-N 1 2 173.191 0.861 20 0 ACADLO C[N@@H+](CCCF)Cc1cnon1 887142434 583506547 /nfs/dbraw/zinc/50/65/47/583506547.db2.gz JXFSKNAMMZXKHV-UHFFFAOYSA-N 1 2 173.191 0.861 20 0 ACADLO C[N@H+](CCCF)Cc1n[nH]c(=O)[nH]1 887141545 583506557 /nfs/dbraw/zinc/50/65/57/583506557.db2.gz YTLOTKDFKRNOGM-UHFFFAOYSA-N 1 2 188.206 0.302 20 0 ACADLO C[N@@H+](CCCF)Cc1n[nH]c(=O)[nH]1 887141545 583506558 /nfs/dbraw/zinc/50/65/58/583506558.db2.gz YTLOTKDFKRNOGM-UHFFFAOYSA-N 1 2 188.206 0.302 20 0 ACADLO C[N@H+](CCCF)Cc1cnn[nH]1 887142255 583506706 /nfs/dbraw/zinc/50/67/06/583506706.db2.gz CJJNXROXWZLYLW-UHFFFAOYSA-N 1 2 172.207 0.596 20 0 ACADLO C[N@@H+](CCCF)Cc1cnn[nH]1 887142255 583506707 /nfs/dbraw/zinc/50/67/07/583506707.db2.gz CJJNXROXWZLYLW-UHFFFAOYSA-N 1 2 172.207 0.596 20 0 ACADLO C[N@H+](CCCF)Cc1c[nH]nn1 887142255 583506710 /nfs/dbraw/zinc/50/67/10/583506710.db2.gz CJJNXROXWZLYLW-UHFFFAOYSA-N 1 2 172.207 0.596 20 0 ACADLO C[N@@H+](CCCF)Cc1c[nH]nn1 887142255 583506715 /nfs/dbraw/zinc/50/67/15/583506715.db2.gz CJJNXROXWZLYLW-UHFFFAOYSA-N 1 2 172.207 0.596 20 0 ACADLO C[N@H+](CCCF)Cc1cn[nH]n1 887142255 583506717 /nfs/dbraw/zinc/50/67/17/583506717.db2.gz CJJNXROXWZLYLW-UHFFFAOYSA-N 1 2 172.207 0.596 20 0 ACADLO C[N@@H+](CCCF)Cc1cn[nH]n1 887142255 583506721 /nfs/dbraw/zinc/50/67/21/583506721.db2.gz CJJNXROXWZLYLW-UHFFFAOYSA-N 1 2 172.207 0.596 20 0 ACADLO CCCn1c[nH+]c(C[C@H]([NH3+])C(=O)[O-])c1 140435905 583507242 /nfs/dbraw/zinc/50/72/42/583507242.db2.gz ROSMBSOKFVZTHV-QMMMGPOBSA-N 1 2 197.238 0.248 20 0 ACADLO Cn1c[nH+]c(CNC(=O)C(F)F)c1 890120190 583512403 /nfs/dbraw/zinc/51/24/03/583512403.db2.gz WJEYEADQULNPNB-UHFFFAOYSA-N 1 2 189.165 0.301 20 0 ACADLO CCCC(=O)NCc1cn(C)c[nH+]1 890119972 583512445 /nfs/dbraw/zinc/51/24/45/583512445.db2.gz QXTYZCRVKOGXSU-UHFFFAOYSA-N 1 2 181.239 0.836 20 0 ACADLO COCCC(=O)NCc1cn(C)c[nH+]1 890114543 583512451 /nfs/dbraw/zinc/51/24/51/583512451.db2.gz OPMWZJMCDHQSGF-UHFFFAOYSA-N 1 2 197.238 0.073 20 0 ACADLO Cn1c[nH+]c(CNC(=O)C2CCC2)c1 890119652 583512453 /nfs/dbraw/zinc/51/24/53/583512453.db2.gz MQHAIOFOMFCHQI-UHFFFAOYSA-N 1 2 193.250 0.836 20 0 ACADLO C[C@H]1C[C@H]1C(=O)NCc1cn(C)c[nH+]1 890119209 583512502 /nfs/dbraw/zinc/51/25/02/583512502.db2.gz BZRFSEQZEWKZME-IONNQARKSA-N 1 2 193.250 0.692 20 0 ACADLO C[C@@H]1C[C@@H]1C(=O)NCc1cn(C)c[nH+]1 890119208 583512527 /nfs/dbraw/zinc/51/25/27/583512527.db2.gz BZRFSEQZEWKZME-APPZFPTMSA-N 1 2 193.250 0.692 20 0 ACADLO Cn1c[nH+]c(CNC(=O)C(C)(C)F)c1 890110039 583512640 /nfs/dbraw/zinc/51/26/40/583512640.db2.gz WBDMVJZAGHJMOY-UHFFFAOYSA-N 1 2 199.229 0.784 20 0 ACADLO CO[C@@H](C)C(=O)NCc1cn(C)c[nH+]1 890114594 583512741 /nfs/dbraw/zinc/51/27/41/583512741.db2.gz QRLKYJGNSXHEJT-ZETCQYMHSA-N 1 2 197.238 0.071 20 0 ACADLO Cn1c[nH+]c(CNC(=O)CCCF)c1 890104530 583512757 /nfs/dbraw/zinc/51/27/57/583512757.db2.gz ZIEDANIUTJUPPQ-UHFFFAOYSA-N 1 2 199.229 0.786 20 0 ACADLO CC(C)C(=O)NCc1cn(C)c[nH+]1 890117607 583512785 /nfs/dbraw/zinc/51/27/85/583512785.db2.gz UVJRIUCFZBWXKS-UHFFFAOYSA-N 1 2 181.239 0.692 20 0 ACADLO C[C@H]1C[C@@H]1C(=O)NCc1cn(C)c[nH+]1 890106728 583512807 /nfs/dbraw/zinc/51/28/07/583512807.db2.gz BZRFSEQZEWKZME-CBAPKCEASA-N 1 2 193.250 0.692 20 0 ACADLO Cn1c[nH+]c(CNC(=O)C2CC2)c1 890119639 583512847 /nfs/dbraw/zinc/51/28/47/583512847.db2.gz MBEMWVXYOSFPCO-UHFFFAOYSA-N 1 2 179.223 0.446 20 0 ACADLO CO[C@H](C)C(=O)NCc1cn(C)c[nH+]1 890114593 583512850 /nfs/dbraw/zinc/51/28/50/583512850.db2.gz QRLKYJGNSXHEJT-SSDOTTSWSA-N 1 2 197.238 0.071 20 0 ACADLO C[C@@H]1C[C@H]1C(=O)NCc1cn(C)c[nH+]1 890106729 583512875 /nfs/dbraw/zinc/51/28/75/583512875.db2.gz BZRFSEQZEWKZME-VXNVDRBHSA-N 1 2 193.250 0.692 20 0 ACADLO CCOCC(=O)NCc1cn(C)c[nH+]1 890119213 583512911 /nfs/dbraw/zinc/51/29/11/583512911.db2.gz CDPMVGVVZKEHQJ-UHFFFAOYSA-N 1 2 197.238 0.073 20 0 ACADLO COC(=O)C[N@@H+]1CCCO[C@H](C)C1 61919392 490016287 /nfs/dbraw/zinc/01/62/87/490016287.db2.gz VXCFMRJZIHHDAO-MRVPVSSYSA-N 1 2 187.239 0.270 20 0 ACADLO COC(=O)C[N@H+]1CCCO[C@H](C)C1 61919392 490016289 /nfs/dbraw/zinc/01/62/89/490016289.db2.gz VXCFMRJZIHHDAO-MRVPVSSYSA-N 1 2 187.239 0.270 20 0 ACADLO COC(=O)C[N@@H+]1CCCO[C@@H](C)C1 61919393 490016437 /nfs/dbraw/zinc/01/64/37/490016437.db2.gz VXCFMRJZIHHDAO-QMMMGPOBSA-N 1 2 187.239 0.270 20 0 ACADLO COC(=O)C[N@H+]1CCCO[C@@H](C)C1 61919393 490016442 /nfs/dbraw/zinc/01/64/42/490016442.db2.gz VXCFMRJZIHHDAO-QMMMGPOBSA-N 1 2 187.239 0.270 20 0 ACADLO COC(=O)[C@@H](C)[N@@H+]1CCCOCC1 61919514 490016467 /nfs/dbraw/zinc/01/64/67/490016467.db2.gz GMNULZQKWPTJPD-MRVPVSSYSA-N 1 2 187.239 0.270 20 0 ACADLO COC(=O)[C@@H](C)[N@H+]1CCCOCC1 61919514 490016470 /nfs/dbraw/zinc/01/64/70/490016470.db2.gz GMNULZQKWPTJPD-MRVPVSSYSA-N 1 2 187.239 0.270 20 0 ACADLO COC(=O)[C@H](C)[N@@H+]1CCCOCC1 61919513 490016480 /nfs/dbraw/zinc/01/64/80/490016480.db2.gz GMNULZQKWPTJPD-QMMMGPOBSA-N 1 2 187.239 0.270 20 0 ACADLO COC(=O)[C@H](C)[N@H+]1CCCOCC1 61919513 490016484 /nfs/dbraw/zinc/01/64/84/490016484.db2.gz GMNULZQKWPTJPD-QMMMGPOBSA-N 1 2 187.239 0.270 20 0 ACADLO CC[C@@](C)(CO)[NH2+]Cc1ccn[nH]1 70899541 490018149 /nfs/dbraw/zinc/01/81/49/490018149.db2.gz BABGMQYLBPNYSG-VIFPVBQESA-N 1 2 183.255 0.660 20 0 ACADLO CC[C@](C)(CO)[NH2+]Cc1ccn[nH]1 70899546 490018366 /nfs/dbraw/zinc/01/83/66/490018366.db2.gz BABGMQYLBPNYSG-SECBINFHSA-N 1 2 183.255 0.660 20 0 ACADLO Cc1[nH]ncc1C[NH2+][C@H]1CCOC1 70967956 490019135 /nfs/dbraw/zinc/01/91/35/490019135.db2.gz WPMYTLLSVPNTTO-VIFPVBQESA-N 1 2 181.239 0.597 20 0 ACADLO COCCNC(=O)CCc1c[nH+]c[nH]1 74726791 490021643 /nfs/dbraw/zinc/02/16/43/490021643.db2.gz OYJTZXWAXRUIHR-UHFFFAOYSA-N 1 2 197.238 0.105 20 0 ACADLO COCCNC(=O)CCc1c[nH]c[nH+]1 74726791 490021645 /nfs/dbraw/zinc/02/16/45/490021645.db2.gz OYJTZXWAXRUIHR-UHFFFAOYSA-N 1 2 197.238 0.105 20 0 ACADLO CC(C)NC(=O)CCc1c[nH+]c[nH]1 74726739 490021650 /nfs/dbraw/zinc/02/16/50/490021650.db2.gz DPUPGYMTDYPFNM-UHFFFAOYSA-N 1 2 181.239 0.867 20 0 ACADLO CC(C)NC(=O)CCc1c[nH]c[nH+]1 74726739 490021651 /nfs/dbraw/zinc/02/16/51/490021651.db2.gz DPUPGYMTDYPFNM-UHFFFAOYSA-N 1 2 181.239 0.867 20 0 ACADLO O=C(CCc1c[nH+]c[nH]1)N1CCCC1 74726769 490021681 /nfs/dbraw/zinc/02/16/81/490021681.db2.gz QKACFLHXORJQIX-UHFFFAOYSA-N 1 2 193.250 0.965 20 0 ACADLO O=C(CCc1c[nH]c[nH+]1)N1CCCC1 74726769 490021683 /nfs/dbraw/zinc/02/16/83/490021683.db2.gz QKACFLHXORJQIX-UHFFFAOYSA-N 1 2 193.250 0.965 20 0 ACADLO CCCNC(=O)CCc1c[nH+]c[nH]1 74726735 490021693 /nfs/dbraw/zinc/02/16/93/490021693.db2.gz BSHRHVFQEIPVPH-UHFFFAOYSA-N 1 2 181.239 0.869 20 0 ACADLO CCCNC(=O)CCc1c[nH]c[nH+]1 74726735 490021694 /nfs/dbraw/zinc/02/16/94/490021694.db2.gz BSHRHVFQEIPVPH-UHFFFAOYSA-N 1 2 181.239 0.869 20 0 ACADLO O=C(CCc1c[nH+]c[nH]1)NC1CC1 74726742 490022070 /nfs/dbraw/zinc/02/20/70/490022070.db2.gz XEMVAJIJFITPKP-UHFFFAOYSA-N 1 2 179.223 0.621 20 0 ACADLO O=C(CCc1c[nH]c[nH+]1)NC1CC1 74726742 490022071 /nfs/dbraw/zinc/02/20/71/490022071.db2.gz XEMVAJIJFITPKP-UHFFFAOYSA-N 1 2 179.223 0.621 20 0 ACADLO Cn1ccc(C[NH2+]CCF)n1 124745580 490031945 /nfs/dbraw/zinc/03/19/45/490031945.db2.gz TXRMDDYLNKLFRW-UHFFFAOYSA-N 1 2 157.192 0.479 20 0 ACADLO CCn1ncnc1C[N@H+](C)[C@H](C)CO 124674600 490032225 /nfs/dbraw/zinc/03/22/25/490032225.db2.gz OANCUHUBCUUEPT-MRVPVSSYSA-N 1 2 198.270 0.111 20 0 ACADLO CCn1ncnc1C[N@@H+](C)[C@H](C)CO 124674600 490032227 /nfs/dbraw/zinc/03/22/27/490032227.db2.gz OANCUHUBCUUEPT-MRVPVSSYSA-N 1 2 198.270 0.111 20 0 ACADLO C1=C(C[NH2+]Cc2ccn[nH]2)COCC1 124705692 490032450 /nfs/dbraw/zinc/03/24/50/490032450.db2.gz SRBHXFQIUMKEIT-UHFFFAOYSA-N 1 2 193.250 0.846 20 0 ACADLO CC[C@H](NC(=O)COC)c1[nH]cc[nH+]1 125321337 490033676 /nfs/dbraw/zinc/03/36/76/490033676.db2.gz GTABBWCAUXRGDC-ZETCQYMHSA-N 1 2 197.238 0.623 20 0 ACADLO CC[C@@H](NC(=O)COC)c1[nH]cc[nH+]1 125321527 490033743 /nfs/dbraw/zinc/03/37/43/490033743.db2.gz GTABBWCAUXRGDC-SSDOTTSWSA-N 1 2 197.238 0.623 20 0 ACADLO Cc1cnc([C@@H](C)[NH2+]CC(N)=O)s1 126118599 490035845 /nfs/dbraw/zinc/03/58/45/490035845.db2.gz TYGRXWJHFMXDJI-ZCFIWIBFSA-N 1 2 199.279 0.587 20 0 ACADLO Cc1cnc([C@H](C)[NH2+]CC(N)=O)s1 126118770 490036299 /nfs/dbraw/zinc/03/62/99/490036299.db2.gz TYGRXWJHFMXDJI-LURJTMIESA-N 1 2 199.279 0.587 20 0 ACADLO OC[C@H]1CCC[N@@H+]1Cc1csnn1 128071746 490044415 /nfs/dbraw/zinc/04/44/15/490044415.db2.gz OVPVMIUTGYTUBW-MRVPVSSYSA-N 1 2 199.279 0.495 20 0 ACADLO OC[C@H]1CCC[N@H+]1Cc1csnn1 128071746 490044417 /nfs/dbraw/zinc/04/44/17/490044417.db2.gz OVPVMIUTGYTUBW-MRVPVSSYSA-N 1 2 199.279 0.495 20 0 ACADLO OCC[N@H+](Cc1cnc[nH]1)C1CC1 128120536 490044609 /nfs/dbraw/zinc/04/46/09/490044609.db2.gz MCLDLLBQMCXULV-UHFFFAOYSA-N 1 2 181.239 0.366 20 0 ACADLO OCC[N@@H+](Cc1cnc[nH]1)C1CC1 128120536 490044611 /nfs/dbraw/zinc/04/46/11/490044611.db2.gz MCLDLLBQMCXULV-UHFFFAOYSA-N 1 2 181.239 0.366 20 0 ACADLO OC[C@@H]1CCC[N@@H+]1Cc1csnn1 128337454 490045766 /nfs/dbraw/zinc/04/57/66/490045766.db2.gz OVPVMIUTGYTUBW-QMMMGPOBSA-N 1 2 199.279 0.495 20 0 ACADLO OC[C@@H]1CCC[N@H+]1Cc1csnn1 128337454 490045767 /nfs/dbraw/zinc/04/57/67/490045767.db2.gz OVPVMIUTGYTUBW-QMMMGPOBSA-N 1 2 199.279 0.495 20 0 ACADLO CO[C@@H](C)C(=O)NCCc1[nH]cc[nH+]1 128718927 490046073 /nfs/dbraw/zinc/04/60/73/490046073.db2.gz GYMQAKLYJLBWMX-ZETCQYMHSA-N 1 2 197.238 0.103 20 0 ACADLO CO[C@H](C)C(=O)NCCc1[nH]cc[nH+]1 128719162 490046364 /nfs/dbraw/zinc/04/63/64/490046364.db2.gz GYMQAKLYJLBWMX-SSDOTTSWSA-N 1 2 197.238 0.103 20 0 ACADLO O=C(CC1CC1)NCCc1[nH]cc[nH+]1 128720613 490046451 /nfs/dbraw/zinc/04/64/51/490046451.db2.gz FXGCGRCHNHJRMO-UHFFFAOYSA-N 1 2 193.250 0.869 20 0 ACADLO COCCC(=O)NCCc1[nH]cc[nH+]1 128723107 490046785 /nfs/dbraw/zinc/04/67/85/490046785.db2.gz XIVQNLLXMGJEJH-UHFFFAOYSA-N 1 2 197.238 0.105 20 0 ACADLO CC[N@H+](CCCO)Cc1nncn1C 129167913 490049294 /nfs/dbraw/zinc/04/92/94/490049294.db2.gz BEGGZVQQMTZXLD-UHFFFAOYSA-N 1 2 198.270 0.019 20 0 ACADLO CC[N@@H+](CCCO)Cc1nncn1C 129167913 490049295 /nfs/dbraw/zinc/04/92/95/490049295.db2.gz BEGGZVQQMTZXLD-UHFFFAOYSA-N 1 2 198.270 0.019 20 0 ACADLO Cc1[nH]ncc1C[NH2+][C@H](C)CC(N)=O 129453937 490050872 /nfs/dbraw/zinc/05/08/72/490050872.db2.gz AEIYFZXVJAEPAU-ZCFIWIBFSA-N 1 2 196.254 0.072 20 0 ACADLO Cc1[nH]ncc1C[NH2+][C@@H](C)CC(N)=O 129453721 490051198 /nfs/dbraw/zinc/05/11/98/490051198.db2.gz AEIYFZXVJAEPAU-LURJTMIESA-N 1 2 196.254 0.072 20 0 ACADLO Cn1ncnc1C[N@H+](C)C(C)(C)CO 129631338 490051747 /nfs/dbraw/zinc/05/17/47/490051747.db2.gz ARXQULZYKLKQSV-UHFFFAOYSA-N 1 2 198.270 0.018 20 0 ACADLO Cn1ncnc1C[N@@H+](C)C(C)(C)CO 129631338 490051749 /nfs/dbraw/zinc/05/17/49/490051749.db2.gz ARXQULZYKLKQSV-UHFFFAOYSA-N 1 2 198.270 0.018 20 0 ACADLO C[C@@H](O)CC[N@H+](C)Cc1ncnn1C 129631963 490051926 /nfs/dbraw/zinc/05/19/26/490051926.db2.gz JYHOHXSWZMEXQW-MRVPVSSYSA-N 1 2 198.270 0.018 20 0 ACADLO C[C@@H](O)CC[N@@H+](C)Cc1ncnn1C 129631963 490051929 /nfs/dbraw/zinc/05/19/29/490051929.db2.gz JYHOHXSWZMEXQW-MRVPVSSYSA-N 1 2 198.270 0.018 20 0 ACADLO C[C@H](O)CC[N@H+](C)Cc1ncnn1C 129631743 490052140 /nfs/dbraw/zinc/05/21/40/490052140.db2.gz JYHOHXSWZMEXQW-QMMMGPOBSA-N 1 2 198.270 0.018 20 0 ACADLO C[C@H](O)CC[N@@H+](C)Cc1ncnn1C 129631743 490052142 /nfs/dbraw/zinc/05/21/42/490052142.db2.gz JYHOHXSWZMEXQW-QMMMGPOBSA-N 1 2 198.270 0.018 20 0 ACADLO CC[N@H+](CCCO)Cc1ncnn1C 129632266 490052205 /nfs/dbraw/zinc/05/22/05/490052205.db2.gz PCSPBKMUENDXKA-UHFFFAOYSA-N 1 2 198.270 0.019 20 0 ACADLO CC[N@@H+](CCCO)Cc1ncnn1C 129632266 490052209 /nfs/dbraw/zinc/05/22/09/490052209.db2.gz PCSPBKMUENDXKA-UHFFFAOYSA-N 1 2 198.270 0.019 20 0 ACADLO CN(C)C(=O)N(C)Cc1[nH+]ccn1C 135893621 490056432 /nfs/dbraw/zinc/05/64/32/490056432.db2.gz GAMYOMAARDOEMH-UHFFFAOYSA-N 1 2 196.254 0.534 20 0 ACADLO CNC(=O)NCCCn1cc[nH+]c1 135892593 490056518 /nfs/dbraw/zinc/05/65/18/490056518.db2.gz JMWDKVHDXOGEHO-UHFFFAOYSA-N 1 2 182.227 0.202 20 0 ACADLO Cn1cnc(CNc2cccc[nH+]2)n1 218897182 490070615 /nfs/dbraw/zinc/07/06/15/490070615.db2.gz IAMOJPAZDMQIOO-UHFFFAOYSA-N 1 2 189.222 0.822 20 0 ACADLO COCCC[N@H+](CCO)CC(F)F 218990139 490071395 /nfs/dbraw/zinc/07/13/95/490071395.db2.gz KXMFSINLSDJJKF-UHFFFAOYSA-N 1 2 197.225 0.582 20 0 ACADLO COCCC[N@@H+](CCO)CC(F)F 218990139 490071397 /nfs/dbraw/zinc/07/13/97/490071397.db2.gz KXMFSINLSDJJKF-UHFFFAOYSA-N 1 2 197.225 0.582 20 0 ACADLO C[C@H](O)CC[N@H+](C)Cc1ncccn1 219860822 490073676 /nfs/dbraw/zinc/07/36/76/490073676.db2.gz QGPGVOABIZFTEM-VIFPVBQESA-N 1 2 195.266 0.679 20 0 ACADLO C[C@H](O)CC[N@@H+](C)Cc1ncccn1 219860822 490073680 /nfs/dbraw/zinc/07/36/80/490073680.db2.gz QGPGVOABIZFTEM-VIFPVBQESA-N 1 2 195.266 0.679 20 0 ACADLO C[C@@H](O)CC[N@H+](C)Cc1ncccn1 219860775 490073690 /nfs/dbraw/zinc/07/36/90/490073690.db2.gz QGPGVOABIZFTEM-SECBINFHSA-N 1 2 195.266 0.679 20 0 ACADLO C[C@@H](O)CC[N@@H+](C)Cc1ncccn1 219860775 490073694 /nfs/dbraw/zinc/07/36/94/490073694.db2.gz QGPGVOABIZFTEM-SECBINFHSA-N 1 2 195.266 0.679 20 0 ACADLO COC1CC([NH2+]CC(F)(F)CO)C1 221275893 490079392 /nfs/dbraw/zinc/07/93/92/490079392.db2.gz HBAQALWENKMYDC-UHFFFAOYSA-N 1 2 195.209 0.381 20 0 ACADLO C[N@H+](CCCO)Cc1nccs1 300745558 490099463 /nfs/dbraw/zinc/09/94/63/490099463.db2.gz CNMKJMZSUNHGRL-UHFFFAOYSA-N 1 2 186.280 0.957 20 0 ACADLO C[N@@H+](CCCO)Cc1nccs1 300745558 490099467 /nfs/dbraw/zinc/09/94/67/490099467.db2.gz CNMKJMZSUNHGRL-UHFFFAOYSA-N 1 2 186.280 0.957 20 0 ACADLO CN(CCOCCO)c1cccc[nH+]1 300766969 490101223 /nfs/dbraw/zinc/10/12/23/490101223.db2.gz TZIIALPMJGVKTD-UHFFFAOYSA-N 1 2 196.250 0.527 20 0 ACADLO Cc1cc(C[N@H+](C)CCO)nn1C 300769820 490101305 /nfs/dbraw/zinc/10/13/05/490101305.db2.gz YNPUXOFXVSUDLY-UHFFFAOYSA-N 1 2 183.255 0.153 20 0 ACADLO Cc1cc(C[N@@H+](C)CCO)nn1C 300769820 490101309 /nfs/dbraw/zinc/10/13/09/490101309.db2.gz YNPUXOFXVSUDLY-UHFFFAOYSA-N 1 2 183.255 0.153 20 0 ACADLO COCC[C@H](CO)Nc1cccc[nH+]1 300792293 490102698 /nfs/dbraw/zinc/10/26/98/490102698.db2.gz COUFTMAIHMUTLD-SECBINFHSA-N 1 2 196.250 0.891 20 0 ACADLO COCC[C@@H](CO)Nc1cccc[nH+]1 300792294 490102824 /nfs/dbraw/zinc/10/28/24/490102824.db2.gz COUFTMAIHMUTLD-VIFPVBQESA-N 1 2 196.250 0.891 20 0 ACADLO Cc1noc(C[N@H+](C)CCCO)n1 300814687 490103939 /nfs/dbraw/zinc/10/39/39/490103939.db2.gz LRVJNKVDUFTEGB-UHFFFAOYSA-N 1 2 185.227 0.192 20 0 ACADLO Cc1noc(C[N@@H+](C)CCCO)n1 300814687 490103947 /nfs/dbraw/zinc/10/39/47/490103947.db2.gz LRVJNKVDUFTEGB-UHFFFAOYSA-N 1 2 185.227 0.192 20 0 ACADLO CCn1ccnc1C[N@H+](C)CCCO 300863663 490106029 /nfs/dbraw/zinc/10/60/29/490106029.db2.gz VTXCMZKNOYWXOM-UHFFFAOYSA-N 1 2 197.282 0.717 20 0 ACADLO CCn1ccnc1C[N@@H+](C)CCCO 300863663 490106034 /nfs/dbraw/zinc/10/60/34/490106034.db2.gz VTXCMZKNOYWXOM-UHFFFAOYSA-N 1 2 197.282 0.717 20 0 ACADLO C[N@H+](CCCO)Cc1ncccn1 300875613 490107034 /nfs/dbraw/zinc/10/70/34/490107034.db2.gz YEDISSCVLDALGR-UHFFFAOYSA-N 1 2 181.239 0.291 20 0 ACADLO C[N@@H+](CCCO)Cc1ncccn1 300875613 490107035 /nfs/dbraw/zinc/10/70/35/490107035.db2.gz YEDISSCVLDALGR-UHFFFAOYSA-N 1 2 181.239 0.291 20 0 ACADLO C[C@H]1C[N@@H+](Cc2cn[nH]c2)CCO1 306249330 490118023 /nfs/dbraw/zinc/11/80/23/490118023.db2.gz NXECLPGKUWIZSP-QMMMGPOBSA-N 1 2 181.239 0.630 20 0 ACADLO C[C@H]1C[N@H+](Cc2cn[nH]c2)CCO1 306249330 490118012 /nfs/dbraw/zinc/11/80/12/490118012.db2.gz NXECLPGKUWIZSP-QMMMGPOBSA-N 1 2 181.239 0.630 20 0 ACADLO C[C@@H]1C[N@H+](Cc2cn[nH]c2)CCO1 306249321 490118552 /nfs/dbraw/zinc/11/85/52/490118552.db2.gz NXECLPGKUWIZSP-MRVPVSSYSA-N 1 2 181.239 0.630 20 0 ACADLO C[C@@H]1C[N@@H+](Cc2cn[nH]c2)CCO1 306249321 490118562 /nfs/dbraw/zinc/11/85/62/490118562.db2.gz NXECLPGKUWIZSP-MRVPVSSYSA-N 1 2 181.239 0.630 20 0 ACADLO Cn1c[nH+]cc1CCNC(=O)C1CC1 401727276 490146616 /nfs/dbraw/zinc/14/66/16/490146616.db2.gz REZUIRPLNLZEJK-UHFFFAOYSA-N 1 2 193.250 0.489 20 0 ACADLO CC(C)C(=O)NCCc1c[nH+]cn1C 401703401 490146798 /nfs/dbraw/zinc/14/67/98/490146798.db2.gz BMDMVGGDPLDXAI-UHFFFAOYSA-N 1 2 195.266 0.735 20 0 ACADLO Cc1cc(Cn2cc[nH+]c2)nn1C 606254188 490164404 /nfs/dbraw/zinc/16/44/04/490164404.db2.gz YATGCXYZQLZXFU-UHFFFAOYSA-N 1 2 176.223 0.973 20 0 ACADLO Cc1[nH]c(C(=O)NCCCCO)c[nH+]1 683882401 490176324 /nfs/dbraw/zinc/17/63/24/490176324.db2.gz XYVFRGBWLJKHEN-UHFFFAOYSA-N 1 2 197.238 0.220 20 0 ACADLO CC[N@@H+](C/C=C\Cl)CC(=O)NC 388401199 697960790 /nfs/dbraw/zinc/96/07/90/697960790.db2.gz 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/nfs/dbraw/zinc/02/82/13/491028213.db2.gz HNONLVGLYKMXMD-UHFFFAOYSA-N 1 2 196.254 0.961 20 0 ACADLO CC(C)[C@@H](CO)[NH2+]Cc1ccn[nH]1 86121910 491028326 /nfs/dbraw/zinc/02/83/26/491028326.db2.gz UKUXDXZCVSUOFU-SECBINFHSA-N 1 2 183.255 0.516 20 0 ACADLO CC(C)[N@H+](CCO)Cc1ncnn1C 83975278 491025969 /nfs/dbraw/zinc/02/59/69/491025969.db2.gz VWSHHQYRGCDCDM-UHFFFAOYSA-N 1 2 198.270 0.018 20 0 ACADLO CC(C)[N@@H+](CCO)Cc1ncnn1C 83975278 491025970 /nfs/dbraw/zinc/02/59/70/491025970.db2.gz VWSHHQYRGCDCDM-UHFFFAOYSA-N 1 2 198.270 0.018 20 0 ACADLO CCn1ncnc1C[N@H+](C)C[C@H](C)O 83995521 491025980 /nfs/dbraw/zinc/02/59/80/491025980.db2.gz VNLKITUDRCOHIP-QMMMGPOBSA-N 1 2 198.270 0.111 20 0 ACADLO CCn1ncnc1C[N@@H+](C)C[C@H](C)O 83995521 491025981 /nfs/dbraw/zinc/02/59/81/491025981.db2.gz VNLKITUDRCOHIP-QMMMGPOBSA-N 1 2 198.270 0.111 20 0 ACADLO CCn1ncnc1C[N@H+](CC)CCO 83995478 491025991 /nfs/dbraw/zinc/02/59/91/491025991.db2.gz DKCHSURHHSRTAK-UHFFFAOYSA-N 1 2 198.270 0.112 20 0 ACADLO CCn1ncnc1C[N@@H+](CC)CCO 83995478 491025992 /nfs/dbraw/zinc/02/59/92/491025992.db2.gz DKCHSURHHSRTAK-UHFFFAOYSA-N 1 2 198.270 0.112 20 0 ACADLO CCCn1ncnc1C[N@H+](C)CCO 83995464 491025994 /nfs/dbraw/zinc/02/59/94/491025994.db2.gz XAGHLUWXIDVSFJ-UHFFFAOYSA-N 1 2 198.270 0.112 20 0 ACADLO CCCn1ncnc1C[N@@H+](C)CCO 83995464 491025995 /nfs/dbraw/zinc/02/59/95/491025995.db2.gz XAGHLUWXIDVSFJ-UHFFFAOYSA-N 1 2 198.270 0.112 20 0 ACADLO CCn1ncnc1Cn1cc[nH+]c1 83996622 491026050 /nfs/dbraw/zinc/02/60/50/491026050.db2.gz YERBAGGGLKPCSK-UHFFFAOYSA-N 1 2 177.211 0.543 20 0 ACADLO CCCn1ncnc1Cn1cc[nH+]c1 83996626 491026078 /nfs/dbraw/zinc/02/60/78/491026078.db2.gz HVBDPHQEQOTXNK-UHFFFAOYSA-N 1 2 191.238 0.933 20 0 ACADLO CCC[N@H+](CCO)Cc1ncnn1C 83975315 491026080 /nfs/dbraw/zinc/02/60/80/491026080.db2.gz JTVTYTWKTKOJQG-UHFFFAOYSA-N 1 2 198.270 0.019 20 0 ACADLO CCC[N@@H+](CCO)Cc1ncnn1C 83975315 491026081 /nfs/dbraw/zinc/02/60/81/491026081.db2.gz JTVTYTWKTKOJQG-UHFFFAOYSA-N 1 2 198.270 0.019 20 0 ACADLO 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183.211 0.062 20 0 ACADLO COCCC(=O)NCc1c[nH]c[nH+]1 84081680 491026219 /nfs/dbraw/zinc/02/62/19/491026219.db2.gz JJEIVIQODDLLSW-UHFFFAOYSA-N 1 2 183.211 0.062 20 0 ACADLO Cc1cc(N2CC(C)(O)C2)nc[nH+]1 84355322 491026486 /nfs/dbraw/zinc/02/64/86/491026486.db2.gz ZKHDRKDFSKYGPD-UHFFFAOYSA-N 1 2 179.223 0.356 20 0 ACADLO CC1(O)C[NH+](Cc2cccnc2)C1 84357249 491026604 /nfs/dbraw/zinc/02/66/04/491026604.db2.gz IVRAGGYVTYCNAZ-UHFFFAOYSA-N 1 2 178.235 0.648 20 0 ACADLO CCC1(O)CN(c2cc[nH+]c(C)n2)C1 84359045 491026632 /nfs/dbraw/zinc/02/66/32/491026632.db2.gz IPUBQROCIXNKLT-UHFFFAOYSA-N 1 2 193.250 0.746 20 0 ACADLO CCn1cc[nH+]c1CN1CC(C)(O)C1 84356859 491026636 /nfs/dbraw/zinc/02/66/36/491026636.db2.gz MVLKSUYYMDXQDP-UHFFFAOYSA-N 1 2 195.266 0.470 20 0 ACADLO Cc1noc(C)c1C[NH+]1CC(C)(O)C1 84356779 491026660 /nfs/dbraw/zinc/02/66/60/491026660.db2.gz DHISGSICTGAQHQ-UHFFFAOYSA-N 1 2 196.250 0.858 20 0 ACADLO CCC1(O)CN(c2cc(C)[nH+]cn2)C1 84358955 491026691 /nfs/dbraw/zinc/02/66/91/491026691.db2.gz OXKAJSHPEHKBEU-UHFFFAOYSA-N 1 2 193.250 0.746 20 0 ACADLO Cn1ccc(NCc2c[nH+]cn2C)n1 85168886 491027170 /nfs/dbraw/zinc/02/71/70/491027170.db2.gz UKYMBDRAUPDDMP-UHFFFAOYSA-N 1 2 191.238 0.766 20 0 ACADLO Cn1c[nH+]cc1Cn1cncn1 85192002 491027189 /nfs/dbraw/zinc/02/71/89/491027189.db2.gz WBJXCOPHAXASJP-UHFFFAOYSA-N 1 2 163.184 0.060 20 0 ACADLO Cc1csc(C[N@H+](C)CCO)n1 86657842 491029036 /nfs/dbraw/zinc/02/90/36/491029036.db2.gz CKJOZULDNLDDGO-UHFFFAOYSA-N 1 2 186.280 0.876 20 0 ACADLO Cc1csc(C[N@@H+](C)CCO)n1 86657842 491029037 /nfs/dbraw/zinc/02/90/37/491029037.db2.gz CKJOZULDNLDDGO-UHFFFAOYSA-N 1 2 186.280 0.876 20 0 ACADLO C[N@H+](CCO)Cc1nccs1 86657876 491029116 /nfs/dbraw/zinc/02/91/16/491029116.db2.gz OELREHAQJKUMIQ-UHFFFAOYSA-N 1 2 172.253 0.567 20 0 ACADLO C[N@@H+](CCO)Cc1nccs1 86657876 491029117 /nfs/dbraw/zinc/02/91/17/491029117.db2.gz OELREHAQJKUMIQ-UHFFFAOYSA-N 1 2 172.253 0.567 20 0 ACADLO CC[N@H+](CC(N)=O)Cc1ccccn1 87177913 491029862 /nfs/dbraw/zinc/02/98/62/491029862.db2.gz CGPXLJRRKJOFGT-UHFFFAOYSA-N 1 2 193.250 0.389 20 0 ACADLO CC[N@@H+](CC(N)=O)Cc1ccccn1 87177913 491029863 /nfs/dbraw/zinc/02/98/63/491029863.db2.gz CGPXLJRRKJOFGT-UHFFFAOYSA-N 1 2 193.250 0.389 20 0 ACADLO CC[N@H+](CCO)Cc1nccs1 87396301 491030857 /nfs/dbraw/zinc/03/08/57/491030857.db2.gz PVUYDPFLXVWKFT-UHFFFAOYSA-N 1 2 186.280 0.957 20 0 ACADLO CC[N@@H+](CCO)Cc1nccs1 87396301 491030858 /nfs/dbraw/zinc/03/08/58/491030858.db2.gz PVUYDPFLXVWKFT-UHFFFAOYSA-N 1 2 186.280 0.957 20 0 ACADLO COC[C@@H]([NH2+]Cc1ccn[nH]1)C1CC1 87479409 491031254 /nfs/dbraw/zinc/03/12/54/491031254.db2.gz DIPZGPYBRQFNCT-SNVBAGLBSA-N 1 2 195.266 0.924 20 0 ACADLO COC[C@H]([NH2+]Cc1ccn[nH]1)C1CC1 87479406 491031268 /nfs/dbraw/zinc/03/12/68/491031268.db2.gz DIPZGPYBRQFNCT-JTQLQIEISA-N 1 2 195.266 0.924 20 0 ACADLO Cc1cc(N[C@H]2CCOC2)nc[nH+]1 87787927 491032361 /nfs/dbraw/zinc/03/23/61/491032361.db2.gz JTWNBYNNZTYLON-QMMMGPOBSA-N 1 2 179.223 0.986 20 0 ACADLO Cc1nc(N[C@H]2CCOC2)cc[nH+]1 87787840 491032374 /nfs/dbraw/zinc/03/23/74/491032374.db2.gz DMWJNUSKKGTKSM-QMMMGPOBSA-N 1 2 179.223 0.986 20 0 ACADLO CC(C)(CO)C[NH2+]Cc1ccn[nH]1 88170544 491033413 /nfs/dbraw/zinc/03/34/13/491033413.db2.gz XVWJIKMAXSSNCV-UHFFFAOYSA-N 1 2 183.255 0.518 20 0 ACADLO CC[C@H](O)CC[NH2+]Cc1cn[nH]c1C 131715281 491035159 /nfs/dbraw/zinc/03/51/59/491035159.db2.gz ZWPUUGQTUOUYLJ-JTQLQIEISA-N 1 2 197.282 0.969 20 0 ACADLO CC[C@H](O)CC[NH2+]Cc1ccn[nH]1 131689674 491035065 /nfs/dbraw/zinc/03/50/65/491035065.db2.gz XJXJMASLGUTAGN-VIFPVBQESA-N 1 2 183.255 0.660 20 0 ACADLO CC[C@@H](O)CC[NH2+]Cc1ccn[nH]1 131689880 491035133 /nfs/dbraw/zinc/03/51/33/491035133.db2.gz XJXJMASLGUTAGN-SECBINFHSA-N 1 2 183.255 0.660 20 0 ACADLO CC[C@@H](O)CC[NH2+]Cc1cn[nH]c1C 131715483 491035153 /nfs/dbraw/zinc/03/51/53/491035153.db2.gz ZWPUUGQTUOUYLJ-SNVBAGLBSA-N 1 2 197.282 0.969 20 0 ACADLO CO[C@@H](C)[C@@H](C)[NH2+]Cc1ccn[nH]1 133382845 491037599 /nfs/dbraw/zinc/03/75/99/491037599.db2.gz OWOQVKDYGJRRKK-SFYZADRCSA-N 1 2 183.255 0.923 20 0 ACADLO CO[C@H](C)[C@@H](C)[NH2+]Cc1ccn[nH]1 133382411 491037629 /nfs/dbraw/zinc/03/76/29/491037629.db2.gz OWOQVKDYGJRRKK-HTQZYQBOSA-N 1 2 183.255 0.923 20 0 ACADLO CO[C@@H](C)[C@H](C)[NH2+]Cc1ccn[nH]1 133382626 491037642 /nfs/dbraw/zinc/03/76/42/491037642.db2.gz OWOQVKDYGJRRKK-YUMQZZPRSA-N 1 2 183.255 0.923 20 0 ACADLO CO[C@H](C)[C@H](C)[NH2+]Cc1ccn[nH]1 133382213 491037649 /nfs/dbraw/zinc/03/76/49/491037649.db2.gz OWOQVKDYGJRRKK-JGVFFNPUSA-N 1 2 183.255 0.923 20 0 ACADLO CC[C@@H](COC)[NH2+]Cc1ncn(C)n1 131868693 491035531 /nfs/dbraw/zinc/03/55/31/491035531.db2.gz DFTCWQOODFADJK-QMMMGPOBSA-N 1 2 198.270 0.330 20 0 ACADLO CC[C@H](COC)[NH2+]Cc1ncn(C)n1 131868905 491035562 /nfs/dbraw/zinc/03/55/62/491035562.db2.gz DFTCWQOODFADJK-MRVPVSSYSA-N 1 2 198.270 0.330 20 0 ACADLO CC(C)OCC[NH2+]Cc1ccn[nH]1 134127885 491038597 /nfs/dbraw/zinc/03/85/97/491038597.db2.gz JLQRCBKSGLEBPK-UHFFFAOYSA-N 1 2 183.255 0.924 20 0 ACADLO Cc1[nH]ncc1[C@H](C)[NH2+]CCCO 134541842 491038940 /nfs/dbraw/zinc/03/89/40/491038940.db2.gz HUNWFGJVVGWKHQ-ZETCQYMHSA-N 1 2 183.255 0.751 20 0 ACADLO Cc1[nH]ncc1[C@@H](C)[NH2+]CCCO 134541824 491038955 /nfs/dbraw/zinc/03/89/55/491038955.db2.gz HUNWFGJVVGWKHQ-SSDOTTSWSA-N 1 2 183.255 0.751 20 0 ACADLO Cc1[nH]ncc1[C@H](C)[NH2+][C@H](C)CO 134550286 491038958 /nfs/dbraw/zinc/03/89/58/491038958.db2.gz YVUSAGBZURHQAL-RQJHMYQMSA-N 1 2 183.255 0.750 20 0 ACADLO Cc1[nH]ncc1[C@@H](C)[NH2+]CCO 134545896 491038987 /nfs/dbraw/zinc/03/89/87/491038987.db2.gz NQFOCHFXBBSBAL-ZCFIWIBFSA-N 1 2 169.228 0.361 20 0 ACADLO Cc1[nH]ncc1[C@H](C)[NH2+]C[C@H](C)O 134539507 491039057 /nfs/dbraw/zinc/03/90/57/491039057.db2.gz MSSKALTXSQZIRG-BQBZGAKWSA-N 1 2 183.255 0.750 20 0 ACADLO Cc1[nH]ncc1[C@@H](C)[NH2+]C[C@@H](C)O 134539446 491039065 /nfs/dbraw/zinc/03/90/65/491039065.db2.gz MSSKALTXSQZIRG-RNFRBKRXSA-N 1 2 183.255 0.750 20 0 ACADLO Cc1[nH]ncc1[C@H](C)[NH2+]CCO 134545914 491039069 /nfs/dbraw/zinc/03/90/69/491039069.db2.gz NQFOCHFXBBSBAL-LURJTMIESA-N 1 2 169.228 0.361 20 0 ACADLO Cc1[nH]ncc1[C@@H](C)[NH2+]C[C@H](C)O 134539486 491039080 /nfs/dbraw/zinc/03/90/80/491039080.db2.gz MSSKALTXSQZIRG-NKWVEPMBSA-N 1 2 183.255 0.750 20 0 ACADLO Cc1[nH]ncc1[C@@H](C)[NH2+][C@H](C)CO 134550260 491039094 /nfs/dbraw/zinc/03/90/94/491039094.db2.gz YVUSAGBZURHQAL-RNFRBKRXSA-N 1 2 183.255 0.750 20 0 ACADLO Cc1[nH]ncc1[C@H](C)[NH2+]C[C@@H](C)O 134539464 491039105 /nfs/dbraw/zinc/03/91/05/491039105.db2.gz MSSKALTXSQZIRG-RQJHMYQMSA-N 1 2 183.255 0.750 20 0 ACADLO Cc1[nH]ncc1[C@@H](C)[NH2+][C@@H](C)CO 134574481 491039232 /nfs/dbraw/zinc/03/92/32/491039232.db2.gz YVUSAGBZURHQAL-NKWVEPMBSA-N 1 2 183.255 0.750 20 0 ACADLO Cc1[nH]ncc1[C@H](C)[NH2+][C@@H](C)CO 134574505 491039260 /nfs/dbraw/zinc/03/92/60/491039260.db2.gz YVUSAGBZURHQAL-BQBZGAKWSA-N 1 2 183.255 0.750 20 0 ACADLO C[NH+]1CCN([C@@H]2CCCOC2)CC1 223197230 491041247 /nfs/dbraw/zinc/04/12/47/491041247.db2.gz FFDQXUNRWBVZJE-SNVBAGLBSA-N 1 2 184.283 0.413 20 0 ACADLO Cc1ccc(C[NH+]2CC(C)(O)C2)nc1 223207331 491041281 /nfs/dbraw/zinc/04/12/81/491041281.db2.gz INLNPUPAUJVALA-UHFFFAOYSA-N 1 2 192.262 0.957 20 0 ACADLO COC[C@H](CCO)Nc1cccc[nH+]1 228279049 491044398 /nfs/dbraw/zinc/04/43/98/491044398.db2.gz PXJZIJDENAMSFR-VIFPVBQESA-N 1 2 196.250 0.891 20 0 ACADLO C[NH+]1CCN([C@H]2CCCOC2)CC1 223197279 491041319 /nfs/dbraw/zinc/04/13/19/491041319.db2.gz FFDQXUNRWBVZJE-JTQLQIEISA-N 1 2 184.283 0.413 20 0 ACADLO COC[C@@H](CCO)Nc1cccc[nH+]1 228279041 491044436 /nfs/dbraw/zinc/04/44/36/491044436.db2.gz PXJZIJDENAMSFR-SECBINFHSA-N 1 2 196.250 0.891 20 0 ACADLO Cc1cc(N2CC[C@](C)(O)C2)nc[nH+]1 224450693 491041746 /nfs/dbraw/zinc/04/17/46/491041746.db2.gz BLNYBAMWAOJPSY-JTQLQIEISA-N 1 2 193.250 0.746 20 0 ACADLO Cc1nc(N2CC[C@](C)(O)C2)cc[nH+]1 224454124 491041769 /nfs/dbraw/zinc/04/17/69/491041769.db2.gz LGHZRAHFSHCJQX-JTQLQIEISA-N 1 2 193.250 0.746 20 0 ACADLO Cc1nc(N2CC[C@@](C)(O)C2)cc[nH+]1 224454069 491041775 /nfs/dbraw/zinc/04/17/75/491041775.db2.gz LGHZRAHFSHCJQX-SNVBAGLBSA-N 1 2 193.250 0.746 20 0 ACADLO Cc1cc(N2CC[C@@](C)(O)C2)nc[nH+]1 224450644 491041779 /nfs/dbraw/zinc/04/17/79/491041779.db2.gz BLNYBAMWAOJPSY-SNVBAGLBSA-N 1 2 193.250 0.746 20 0 ACADLO CCCOCC(=O)NCc1c[nH+]c[nH]1 224928119 491041983 /nfs/dbraw/zinc/04/19/83/491041983.db2.gz UCAIIOAXZSQIIR-UHFFFAOYSA-N 1 2 197.238 0.453 20 0 ACADLO CCCOCC(=O)NCc1c[nH]c[nH+]1 224928119 491041984 /nfs/dbraw/zinc/04/19/84/491041984.db2.gz UCAIIOAXZSQIIR-UHFFFAOYSA-N 1 2 197.238 0.453 20 0 ACADLO C[C@@]1(O)CC[N@H+](CC(F)F)C1 226204721 491042529 /nfs/dbraw/zinc/04/25/29/491042529.db2.gz SQEBEWMMIDQFCM-SSDOTTSWSA-N 1 2 165.183 0.708 20 0 ACADLO C[C@@]1(O)CC[N@@H+](CC(F)F)C1 226204721 491042530 /nfs/dbraw/zinc/04/25/30/491042530.db2.gz SQEBEWMMIDQFCM-SSDOTTSWSA-N 1 2 165.183 0.708 20 0 ACADLO C[C@]1(O)CC[N@H+](CC(F)F)C1 226204731 491042598 /nfs/dbraw/zinc/04/25/98/491042598.db2.gz SQEBEWMMIDQFCM-ZETCQYMHSA-N 1 2 165.183 0.708 20 0 ACADLO C[C@]1(O)CC[N@@H+](CC(F)F)C1 226204731 491042599 /nfs/dbraw/zinc/04/25/99/491042599.db2.gz SQEBEWMMIDQFCM-ZETCQYMHSA-N 1 2 165.183 0.708 20 0 ACADLO OCCOCCCNc1cccc[nH+]1 227312705 491043628 /nfs/dbraw/zinc/04/36/28/491043628.db2.gz GQHOAMRNSBMFKB-UHFFFAOYSA-N 1 2 196.250 0.893 20 0 ACADLO COC[C@H](C[NH2+]Cc1ccn[nH]1)OC 227704449 491043761 /nfs/dbraw/zinc/04/37/61/491043761.db2.gz AJRZMLDEJKNYAC-VIFPVBQESA-N 1 2 199.254 0.161 20 0 ACADLO COC[C@@H](C[NH2+]Cc1ccn[nH]1)OC 227704445 491043777 /nfs/dbraw/zinc/04/37/77/491043777.db2.gz AJRZMLDEJKNYAC-SECBINFHSA-N 1 2 199.254 0.161 20 0 ACADLO C[C@@H](O)CCC[NH2+]Cc1ccn[nH]1 227955818 491044038 /nfs/dbraw/zinc/04/40/38/491044038.db2.gz FJZPWWSPDMVJTC-MRVPVSSYSA-N 1 2 183.255 0.660 20 0 ACADLO C[C@H](O)CCC[NH2+]Cc1ccn[nH]1 227955829 491044057 /nfs/dbraw/zinc/04/40/57/491044057.db2.gz FJZPWWSPDMVJTC-QMMMGPOBSA-N 1 2 183.255 0.660 20 0 ACADLO CCN(C)C(=O)CNc1cccc[nH+]1 229572542 491045437 /nfs/dbraw/zinc/04/54/37/491045437.db2.gz HAERNRYSKVLJTG-UHFFFAOYSA-N 1 2 193.250 0.972 20 0 ACADLO C[C@@H]1C[C@@H](O)C[N@@H+]1Cc1csnn1 306157669 491045960 /nfs/dbraw/zinc/04/59/60/491045960.db2.gz NORITMHAGMPRQK-HTRCEHHLSA-N 1 2 199.279 0.493 20 0 ACADLO C[C@@H]1C[C@@H](O)C[N@H+]1Cc1csnn1 306157669 491045961 /nfs/dbraw/zinc/04/59/61/491045961.db2.gz NORITMHAGMPRQK-HTRCEHHLSA-N 1 2 199.279 0.493 20 0 ACADLO C[C@H]1C[C@H](O)C[N@@H+]1Cc1csnn1 306157672 491046053 /nfs/dbraw/zinc/04/60/53/491046053.db2.gz NORITMHAGMPRQK-XPUUQOCRSA-N 1 2 199.279 0.493 20 0 ACADLO C[C@H]1C[C@H](O)C[N@H+]1Cc1csnn1 306157672 491046054 /nfs/dbraw/zinc/04/60/54/491046054.db2.gz NORITMHAGMPRQK-XPUUQOCRSA-N 1 2 199.279 0.493 20 0 ACADLO C[C@H]1C[C@@H](O)C[N@@H+]1Cc1csnn1 306157670 491046060 /nfs/dbraw/zinc/04/60/60/491046060.db2.gz NORITMHAGMPRQK-POYBYMJQSA-N 1 2 199.279 0.493 20 0 ACADLO C[C@H]1C[C@@H](O)C[N@H+]1Cc1csnn1 306157670 491046061 /nfs/dbraw/zinc/04/60/61/491046061.db2.gz NORITMHAGMPRQK-POYBYMJQSA-N 1 2 199.279 0.493 20 0 ACADLO C[C@@H]1C[C@H](O)C[N@@H+]1Cc1csnn1 306157671 491046067 /nfs/dbraw/zinc/04/60/67/491046067.db2.gz NORITMHAGMPRQK-SVRRBLITSA-N 1 2 199.279 0.493 20 0 ACADLO C[C@@H]1C[C@H](O)C[N@H+]1Cc1csnn1 306157671 491046068 /nfs/dbraw/zinc/04/60/68/491046068.db2.gz NORITMHAGMPRQK-SVRRBLITSA-N 1 2 199.279 0.493 20 0 ACADLO C[C@@H]1CCNC(=O)[C@H]1[NH2+]CC(F)F 306190077 491046403 /nfs/dbraw/zinc/04/64/03/491046403.db2.gz PZGCSHXUJYQFRB-VDTYLAMSSA-N 1 2 192.209 0.366 20 0 ACADLO C[C@H]1CCNC(=O)[C@@H]1[NH2+]CC(F)F 306190071 491046411 /nfs/dbraw/zinc/04/64/11/491046411.db2.gz PZGCSHXUJYQFRB-CAHLUQPWSA-N 1 2 192.209 0.366 20 0 ACADLO C[C@@H]1CCNC(=O)[C@@H]1[NH2+]CC(F)F 306190075 491046420 /nfs/dbraw/zinc/04/64/20/491046420.db2.gz PZGCSHXUJYQFRB-IYSWYEEDSA-N 1 2 192.209 0.366 20 0 ACADLO C[C@H]1CCNC(=O)[C@H]1[NH2+]CC(F)F 306190073 491046448 /nfs/dbraw/zinc/04/64/48/491046448.db2.gz PZGCSHXUJYQFRB-FSPLSTOPSA-N 1 2 192.209 0.366 20 0 ACADLO Cn1nnc(C[NH+]2CCCCC2)n1 306192543 491046486 /nfs/dbraw/zinc/04/64/86/491046486.db2.gz SDGMIDKVRRDEBS-UHFFFAOYSA-N 1 2 181.243 0.196 20 0 ACADLO Cn1c[nH+]cc1CSc1nc[nH]n1 306201713 491046527 /nfs/dbraw/zinc/04/65/27/491046527.db2.gz OPLFSERCGJFAQO-UHFFFAOYSA-N 1 2 195.251 0.831 20 0 ACADLO CCc1nc(N2CC(O)C2)cc(C)[nH+]1 306205667 491046703 /nfs/dbraw/zinc/04/67/03/491046703.db2.gz SHXZZOLIDJZCTL-UHFFFAOYSA-N 1 2 193.250 0.528 20 0 ACADLO O[C@@H]1CC[N@H+](Cc2csnn2)C1 306211920 491046756 /nfs/dbraw/zinc/04/67/56/491046756.db2.gz QODHSQOENTXAKF-SSDOTTSWSA-N 1 2 185.252 0.105 20 0 ACADLO O[C@@H]1CC[N@@H+](Cc2csnn2)C1 306211920 491046757 /nfs/dbraw/zinc/04/67/57/491046757.db2.gz QODHSQOENTXAKF-SSDOTTSWSA-N 1 2 185.252 0.105 20 0 ACADLO CO[C@H]1CC[N@H+](CC(F)F)C1 306213859 491046764 /nfs/dbraw/zinc/04/67/64/491046764.db2.gz VTHBSTSXOJPEJQ-LURJTMIESA-N 1 2 165.183 0.972 20 0 ACADLO CO[C@H]1CC[N@@H+](CC(F)F)C1 306213859 491046765 /nfs/dbraw/zinc/04/67/65/491046765.db2.gz VTHBSTSXOJPEJQ-LURJTMIESA-N 1 2 165.183 0.972 20 0 ACADLO COCC[N@@H+]1CCc2cn[nH]c2C1 306212712 491046812 /nfs/dbraw/zinc/04/68/12/491046812.db2.gz WACKFGDKTAAHCG-UHFFFAOYSA-N 1 2 181.239 0.414 20 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/nfs/dbraw/zinc/04/72/34/491047234.db2.gz RSZLZFOWDLQLDA-POYBYMJQSA-N 1 2 197.238 0.333 20 0 ACADLO Cc1nc(C[N@@H+]2C[C@H](O)C[C@@H]2C)no1 306250367 491047235 /nfs/dbraw/zinc/04/72/35/491047235.db2.gz RSZLZFOWDLQLDA-POYBYMJQSA-N 1 2 197.238 0.333 20 0 ACADLO Cc1nc(C[N@H+]2C[C@@H](O)C[C@@H]2C)no1 306250369 491047257 /nfs/dbraw/zinc/04/72/57/491047257.db2.gz RSZLZFOWDLQLDA-XPUUQOCRSA-N 1 2 197.238 0.333 20 0 ACADLO Cc1nc(C[N@@H+]2C[C@@H](O)C[C@@H]2C)no1 306250369 491047258 /nfs/dbraw/zinc/04/72/58/491047258.db2.gz RSZLZFOWDLQLDA-XPUUQOCRSA-N 1 2 197.238 0.333 20 0 ACADLO Cc1nc(C[N@H+]2C[C@H](O)C[C@H]2C)no1 306250366 491047276 /nfs/dbraw/zinc/04/72/76/491047276.db2.gz RSZLZFOWDLQLDA-HTRCEHHLSA-N 1 2 197.238 0.333 20 0 ACADLO Cc1nc(C[N@@H+]2C[C@H](O)C[C@H]2C)no1 306250366 491047277 /nfs/dbraw/zinc/04/72/77/491047277.db2.gz RSZLZFOWDLQLDA-HTRCEHHLSA-N 1 2 197.238 0.333 20 0 ACADLO O[C@@H]1CC[N@H+](Cc2cnns2)C1 306266959 491047468 /nfs/dbraw/zinc/04/74/68/491047468.db2.gz 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/nfs/dbraw/zinc/05/00/56/491050056.db2.gz LUQHWLUGOAAEEJ-UHFFFAOYSA-N 1 2 179.223 0.539 20 0 ACADLO Cc1[nH]c[nH+]c1CC(=O)NC1CC1 306401143 491050058 /nfs/dbraw/zinc/05/00/58/491050058.db2.gz LUQHWLUGOAAEEJ-UHFFFAOYSA-N 1 2 179.223 0.539 20 0 ACADLO Cc1nnc(NCc2c[nH+]cn2C)o1 306424542 491050951 /nfs/dbraw/zinc/05/09/51/491050951.db2.gz ILDXLEJWFABTMV-UHFFFAOYSA-N 1 2 193.210 0.724 20 0 ACADLO Cn1nnc(C[NH+]2CCCCCC2)n1 306453371 491051357 /nfs/dbraw/zinc/05/13/57/491051357.db2.gz YERBHUHPCBJOEC-UHFFFAOYSA-N 1 2 195.270 0.586 20 0 ACADLO Cc1nc(Cc2c[nH+]cn2C)no1 306519634 491052583 /nfs/dbraw/zinc/05/25/83/491052583.db2.gz JAISRVLWBIBXSD-UHFFFAOYSA-N 1 2 178.195 0.702 20 0 ACADLO OCCC[N@@H+]1CCc2cn[nH]c2C1 306578561 491053638 /nfs/dbraw/zinc/05/36/38/491053638.db2.gz WDBYDVZRGUHBKB-UHFFFAOYSA-N 1 2 181.239 0.150 20 0 ACADLO OCCC[N@H+]1CCc2cn[nH]c2C1 306578561 491053639 /nfs/dbraw/zinc/05/36/39/491053639.db2.gz WDBYDVZRGUHBKB-UHFFFAOYSA-N 1 2 181.239 0.150 20 0 ACADLO Cn1c[nH+]cc1CNc1cnccn1 306690816 491054592 /nfs/dbraw/zinc/05/45/92/491054592.db2.gz NCXOGNLNDZZESH-UHFFFAOYSA-N 1 2 189.222 0.822 20 0 ACADLO Cc1nc(N2C[C@H](O)C[C@H]2C)cc[nH+]1 306741578 491055023 /nfs/dbraw/zinc/05/50/23/491055023.db2.gz DSUMYVDXLPQYHU-VXNVDRBHSA-N 1 2 193.250 0.745 20 0 ACADLO C[C@@H]1C[N@H+](CC(F)F)C[C@H]1C(N)=O 306725652 491055037 /nfs/dbraw/zinc/05/50/37/491055037.db2.gz XUUHRMBKVKEDMJ-PHDIDXHHSA-N 1 2 192.209 0.305 20 0 ACADLO C[C@@H]1C[N@@H+](CC(F)F)C[C@H]1C(N)=O 306725652 491055038 /nfs/dbraw/zinc/05/50/38/491055038.db2.gz XUUHRMBKVKEDMJ-PHDIDXHHSA-N 1 2 192.209 0.305 20 0 ACADLO Cc1nc(N2C[C@@H](O)C[C@@H]2C)cc[nH+]1 306741574 491055062 /nfs/dbraw/zinc/05/50/62/491055062.db2.gz DSUMYVDXLPQYHU-CBAPKCEASA-N 1 2 193.250 0.745 20 0 ACADLO Cc1nc(N2C[C@H](O)C[C@@H]2C)cc[nH+]1 306741576 491055102 /nfs/dbraw/zinc/05/51/02/491055102.db2.gz DSUMYVDXLPQYHU-IONNQARKSA-N 1 2 193.250 0.745 20 0 ACADLO Cc1nc(N2C[C@@H](O)C[C@H]2C)cc[nH+]1 306741572 491055167 /nfs/dbraw/zinc/05/51/67/491055167.db2.gz 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491056186 /nfs/dbraw/zinc/05/61/86/491056186.db2.gz SQKSZZXTLJKYKA-POYBYMJQSA-N 1 2 193.250 0.990 20 0 ACADLO Cc1[nH+]c[nH]c1CNC(=O)[C@H]1C[C@H]1C 306835609 491056244 /nfs/dbraw/zinc/05/62/44/491056244.db2.gz SQKSZZXTLJKYKA-SVRRBLITSA-N 1 2 193.250 0.990 20 0 ACADLO Cc1[nH+]c[nH]c1CNC(=O)C(C)(C)O 306941768 491056782 /nfs/dbraw/zinc/05/67/82/491056782.db2.gz RFCCQHAOLNHVRY-UHFFFAOYSA-N 1 2 197.238 0.105 20 0 ACADLO Cn1c[nH+]cc1CNc1cccnn1 306952722 491056999 /nfs/dbraw/zinc/05/69/99/491056999.db2.gz HJOQWGDCWMCRFR-UHFFFAOYSA-N 1 2 189.222 0.822 20 0 ACADLO COc1cc[nH+]cc1Cn1cncn1 307078041 491058388 /nfs/dbraw/zinc/05/83/88/491058388.db2.gz MNMLSKWOMHLVGN-UHFFFAOYSA-N 1 2 190.206 0.730 20 0 ACADLO Cn1ncc2c(NCCF)[nH+]cnc21 307270381 491060087 /nfs/dbraw/zinc/06/00/87/491060087.db2.gz PTKLDTRBPPPYQH-UHFFFAOYSA-N 1 2 195.201 0.745 20 0 ACADLO C[C@@]1(C(N)=O)CC[N@H+](CC(F)F)C1 307305961 491060501 /nfs/dbraw/zinc/06/05/01/491060501.db2.gz XTWOIKRIFSOUBL-MRVPVSSYSA-N 1 2 192.209 0.449 20 0 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491061181 /nfs/dbraw/zinc/06/11/81/491061181.db2.gz XGBBCXOUCCDNQZ-SVRRBLITSA-N 1 2 197.238 0.191 20 0 ACADLO Cc1nc(C[N@H+]2C[C@H](C)[C@@H](O)C2)no1 307374036 491061204 /nfs/dbraw/zinc/06/12/04/491061204.db2.gz XGBBCXOUCCDNQZ-XPUUQOCRSA-N 1 2 197.238 0.191 20 0 ACADLO Cc1nc(C[N@@H+]2C[C@H](C)[C@@H](O)C2)no1 307374036 491061206 /nfs/dbraw/zinc/06/12/06/491061206.db2.gz XGBBCXOUCCDNQZ-XPUUQOCRSA-N 1 2 197.238 0.191 20 0 ACADLO Cc1nc(C[N@H+]2C[C@H](C)[C@H](O)C2)no1 307374033 491061248 /nfs/dbraw/zinc/06/12/48/491061248.db2.gz XGBBCXOUCCDNQZ-POYBYMJQSA-N 1 2 197.238 0.191 20 0 ACADLO Cc1nc(C[N@@H+]2C[C@H](C)[C@H](O)C2)no1 307374033 491061250 /nfs/dbraw/zinc/06/12/50/491061250.db2.gz XGBBCXOUCCDNQZ-POYBYMJQSA-N 1 2 197.238 0.191 20 0 ACADLO C[C@@H]1NC(=O)CC[C@@H]1[NH2+]CC(F)F 307437816 491061694 /nfs/dbraw/zinc/06/16/94/491061694.db2.gz MDGWKFJTPMUTLF-WDSKDSINSA-N 1 2 192.209 0.508 20 0 ACADLO C[C@H]1NC(=O)CC[C@@H]1[NH2+]CC(F)F 307437815 491061729 /nfs/dbraw/zinc/06/17/29/491061729.db2.gz 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170.212 0.963 20 0 ACADLO COCC[N@H+](C)Cc1cnc[nH]1 307993193 491075014 /nfs/dbraw/zinc/07/50/14/491075014.db2.gz UZGSBEBETLZJLC-UHFFFAOYSA-N 1 2 169.228 0.488 20 0 ACADLO COCC[N@@H+](C)Cc1cnc[nH]1 307993193 491075015 /nfs/dbraw/zinc/07/50/15/491075015.db2.gz UZGSBEBETLZJLC-UHFFFAOYSA-N 1 2 169.228 0.488 20 0 ACADLO COCC[N@H+](C)Cc1c[nH]cn1 307993193 491075016 /nfs/dbraw/zinc/07/50/16/491075016.db2.gz UZGSBEBETLZJLC-UHFFFAOYSA-N 1 2 169.228 0.488 20 0 ACADLO COCC[N@@H+](C)Cc1c[nH]cn1 307993193 491075017 /nfs/dbraw/zinc/07/50/17/491075017.db2.gz UZGSBEBETLZJLC-UHFFFAOYSA-N 1 2 169.228 0.488 20 0 ACADLO C[C@@H](CF)[NH2+]Cc1cn(C)cn1 308040243 491076629 /nfs/dbraw/zinc/07/66/29/491076629.db2.gz MXNRFVPIGMMEHV-ZETCQYMHSA-N 1 2 171.219 0.868 20 0 ACADLO CCn1ccnc1C[NH2+]CCF 308029872 491076506 /nfs/dbraw/zinc/07/65/06/491076506.db2.gz ZATSFMMDCOQIQD-UHFFFAOYSA-N 1 2 171.219 0.962 20 0 ACADLO C[C@H](CF)[NH2+]Cc1nccn1C 308029987 491076519 /nfs/dbraw/zinc/07/65/19/491076519.db2.gz 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308434041 491104040 /nfs/dbraw/zinc/10/40/40/491104040.db2.gz VDIOJEUPIGCIND-SSDOTTSWSA-N 1 2 184.243 0.007 20 0 ACADLO CC[C@@H](O)C[N@@H+](C)Cc1nnc[nH]1 308434041 491104041 /nfs/dbraw/zinc/10/40/41/491104041.db2.gz VDIOJEUPIGCIND-SSDOTTSWSA-N 1 2 184.243 0.007 20 0 ACADLO CCN1CC[N@H+](CCCF)CC1=O 308441394 491104636 /nfs/dbraw/zinc/10/46/36/491104636.db2.gz YYAAJZYVWRPFOB-UHFFFAOYSA-N 1 2 188.246 0.510 20 0 ACADLO CCN1CC[N@@H+](CCCF)CC1=O 308441394 491104637 /nfs/dbraw/zinc/10/46/37/491104637.db2.gz YYAAJZYVWRPFOB-UHFFFAOYSA-N 1 2 188.246 0.510 20 0 ACADLO CNC(=O)[C@@H]([NH2+]CC(F)F)C(C)C 308451099 491105101 /nfs/dbraw/zinc/10/51/01/491105101.db2.gz DOICCGKNKPLYKG-ZETCQYMHSA-N 1 2 194.225 0.612 20 0 ACADLO COCCC[N@H+](C)Cc1cnn[nH]1 308451049 491105121 /nfs/dbraw/zinc/10/51/21/491105121.db2.gz DMYVSWYSKBDYIH-UHFFFAOYSA-N 1 2 184.243 0.273 20 0 ACADLO COCCC[N@@H+](C)Cc1cnn[nH]1 308451049 491105124 /nfs/dbraw/zinc/10/51/24/491105124.db2.gz DMYVSWYSKBDYIH-UHFFFAOYSA-N 1 2 184.243 0.273 20 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OCC1(C[NH2+]Cc2ccn[nH]2)CCC1 308520462 491110071 /nfs/dbraw/zinc/11/00/71/491110071.db2.gz RRCRQPFTVYOVCW-UHFFFAOYSA-N 1 2 195.266 0.662 20 0 ACADLO CC[C@H](O)C[N@H+](C)Cc1nncn1C 308521074 491110176 /nfs/dbraw/zinc/11/01/76/491110176.db2.gz XUORWRZCFSXVEA-QMMMGPOBSA-N 1 2 198.270 0.018 20 0 ACADLO CC[C@H](O)C[N@@H+](C)Cc1nncn1C 308521074 491110177 /nfs/dbraw/zinc/11/01/77/491110177.db2.gz XUORWRZCFSXVEA-QMMMGPOBSA-N 1 2 198.270 0.018 20 0 ACADLO COC[C@@H](C)[NH2+][C@H](C)c1ncn(C)n1 308589415 491113259 /nfs/dbraw/zinc/11/32/59/491113259.db2.gz JSXSDGJBDCAIJX-HTQZYQBOSA-N 1 2 198.270 0.501 20 0 ACADLO COC[C@H](C)[NH2+][C@H](C)c1ncn(C)n1 308589568 491113268 /nfs/dbraw/zinc/11/32/68/491113268.db2.gz JSXSDGJBDCAIJX-JGVFFNPUSA-N 1 2 198.270 0.501 20 0 ACADLO Cc1c[nH]nc1C[NH2+][C@@H](C)CN(C)C 308592809 491113330 /nfs/dbraw/zinc/11/33/30/491113330.db2.gz LBMCFZMJGIWBBP-VIFPVBQESA-N 1 2 196.298 0.758 20 0 ACADLO COC[C@H](C)[NH2+][C@@H](C)c1ncn(C)n1 308589572 491113359 /nfs/dbraw/zinc/11/33/59/491113359.db2.gz JSXSDGJBDCAIJX-YUMQZZPRSA-N 1 2 198.270 0.501 20 0 ACADLO COC[C@@H](C)[NH2+][C@@H](C)c1ncn(C)n1 308589570 491113373 /nfs/dbraw/zinc/11/33/73/491113373.db2.gz JSXSDGJBDCAIJX-SFYZADRCSA-N 1 2 198.270 0.501 20 0 ACADLO COC[C@H]([NH2+]CC(N)=O)c1ccco1 308594176 491113426 /nfs/dbraw/zinc/11/34/26/491113426.db2.gz LRYRZYUSMIWOGO-ZETCQYMHSA-N 1 2 198.222 0.042 20 0 ACADLO COC[C@@H]([NH2+]CC(N)=O)c1ccco1 308594175 491113441 /nfs/dbraw/zinc/11/34/41/491113441.db2.gz LRYRZYUSMIWOGO-SSDOTTSWSA-N 1 2 198.222 0.042 20 0 ACADLO Cc1nc(C(C)(C)[NH2+]C[C@@H](C)O)no1 308595207 491113480 /nfs/dbraw/zinc/11/34/80/491113480.db2.gz MDIHRXMJUAOHPU-ZCFIWIBFSA-N 1 2 199.254 0.584 20 0 ACADLO Cc1nc(C(C)(C)[NH2+]C[C@H](C)O)no1 308595206 491113541 /nfs/dbraw/zinc/11/35/41/491113541.db2.gz MDIHRXMJUAOHPU-LURJTMIESA-N 1 2 199.254 0.584 20 0 ACADLO CC1(C(=O)NCCc2[nH]cc[nH+]2)CC1 308625750 491114810 /nfs/dbraw/zinc/11/48/10/491114810.db2.gz WAGXOFPARSNJPY-UHFFFAOYSA-N 1 2 193.250 0.869 20 0 ACADLO Cc1c[nH]nc1C[NH2+]C[C@@H](C)N(C)C 308650651 491116060 /nfs/dbraw/zinc/11/60/60/491116060.db2.gz KGBCBWFYGGLSEM-SECBINFHSA-N 1 2 196.298 0.758 20 0 ACADLO Cc1cn[nH]c1C[NH2+]Cc1cc[nH]n1 308737878 491118416 /nfs/dbraw/zinc/11/84/16/491118416.db2.gz MOLGIGNTXWEOAD-UHFFFAOYSA-N 1 2 191.238 0.731 20 0 ACADLO Cc1c[nH]nc1C[NH2+]Cc1cc[nH]n1 308737878 491118417 /nfs/dbraw/zinc/11/84/17/491118417.db2.gz MOLGIGNTXWEOAD-UHFFFAOYSA-N 1 2 191.238 0.731 20 0 ACADLO CC[C@@H](O)C[NH2+][C@@H](C)c1ncn(C)n1 308749226 491118759 /nfs/dbraw/zinc/11/87/59/491118759.db2.gz SWMPPLNDQOSVHC-JGVFFNPUSA-N 1 2 198.270 0.237 20 0 ACADLO CC[C@@H](O)C[NH2+][C@H](C)c1ncn(C)n1 308749222 491118798 /nfs/dbraw/zinc/11/87/98/491118798.db2.gz SWMPPLNDQOSVHC-HTQZYQBOSA-N 1 2 198.270 0.237 20 0 ACADLO CNC(=O)C[N@H+](C)Cc1ccccn1 591469570 491120225 /nfs/dbraw/zinc/12/02/25/491120225.db2.gz JXSODERDPOCTGR-UHFFFAOYSA-N 1 2 193.250 0.259 20 0 ACADLO CNC(=O)C[N@@H+](C)Cc1ccccn1 591469570 491120226 /nfs/dbraw/zinc/12/02/26/491120226.db2.gz JXSODERDPOCTGR-UHFFFAOYSA-N 1 2 193.250 0.259 20 0 ACADLO Cc1[nH+]c[nH]c1CC(=O)N1CCC1 1633249289 1188747214 /nfs/dbraw/zinc/74/72/14/1188747214.db2.gz BYDCRXQOCLHEBG-UHFFFAOYSA-N 1 2 179.223 0.493 20 0 ACADLO CN(C)C(=O)C[NH2+]Cc1cscn1 40421111 1188767604 /nfs/dbraw/zinc/76/76/04/1188767604.db2.gz DBEGGTOEHDVGFM-UHFFFAOYSA-N 1 2 199.279 0.321 20 0 ACADLO COC(OC)n1cc[nH+]c1 38350111 1188767693 /nfs/dbraw/zinc/76/76/93/1188767693.db2.gz QBRJAUWSHFBOSO-UHFFFAOYSA-N 1 2 142.158 0.632 20 0 ACADLO CC(C)OC(=O)C[N@@H+]1CC[C@H](O)C1 61708424 1188772736 /nfs/dbraw/zinc/77/27/36/1188772736.db2.gz UINSCQCBSGVKAH-QMMMGPOBSA-N 1 2 187.239 0.005 20 0 ACADLO CC(C)OC(=O)C[N@H+]1CC[C@H](O)C1 61708424 1188772739 /nfs/dbraw/zinc/77/27/39/1188772739.db2.gz UINSCQCBSGVKAH-QMMMGPOBSA-N 1 2 187.239 0.005 20 0 ACADLO c1nn[nH]c1CC[NH+]1CCCC1 78590976 1188776019 /nfs/dbraw/zinc/77/60/19/1188776019.db2.gz YGTHJMANPXOUFD-UHFFFAOYSA-N 1 2 166.228 0.443 20 0 ACADLO CC(=O)NCc1c[nH+]cn1C 203108450 1188785170 /nfs/dbraw/zinc/78/51/70/1188785170.db2.gz HDWPJBQTZLJAPG-UHFFFAOYSA-N 1 2 153.185 0.056 20 0 ACADLO CC(C)(CC(N)=O)[NH2+]Cc1ccn[nH]1 227054573 1188787682 /nfs/dbraw/zinc/78/76/82/1188787682.db2.gz DMGQEMHIUHRGPF-UHFFFAOYSA-N 1 2 196.254 0.153 20 0 ACADLO COc1ccn2cc(N)[nH+]c2c1 257984129 1188795975 /nfs/dbraw/zinc/79/59/75/1188795975.db2.gz BEVGTHQRAJRKRA-UHFFFAOYSA-N 1 2 163.180 0.925 20 0 ACADLO C[C@@H](O)c1cn(Cc2[nH]cc[nH+]2)nn1 306450316 1188798504 /nfs/dbraw/zinc/79/85/04/1188798504.db2.gz YZMUCXTUHPJYOK-ZCFIWIBFSA-N 1 2 193.210 0.103 20 0 ACADLO COC1(C)CN(c2cc(N)nc[nH+]2)C1 307035094 1188805080 /nfs/dbraw/zinc/80/50/80/1188805080.db2.gz NFWURMZMKCZFGF-UHFFFAOYSA-N 1 2 194.238 0.284 20 0 ACADLO CC[NH+]1CC(NC(=O)C(C)(C)F)C1 307281416 1188806923 /nfs/dbraw/zinc/80/69/23/1188806923.db2.gz JUDANCIERZDGIS-UHFFFAOYSA-N 1 2 188.246 0.555 20 0 ACADLO COCCOC[C@H](C)[NH2+]CC(F)F 1336807166 1188839004 /nfs/dbraw/zinc/83/90/04/1188839004.db2.gz 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/nfs/dbraw/zinc/64/48/12/697644812.db2.gz POITZFMUUVPUHF-SSDOTTSWSA-N 1 2 198.295 0.366 20 0 ACADLO COC(=O)N[C@@H](C)Cn1cc[nH+]c1 136145920 697646051 /nfs/dbraw/zinc/64/60/51/697646051.db2.gz UDBLFMNNXHOXEO-ZETCQYMHSA-N 1 2 183.211 0.628 20 0 ACADLO COC(=O)N[C@H](C)Cn1cc[nH+]c1 136145960 697646068 /nfs/dbraw/zinc/64/60/68/697646068.db2.gz UDBLFMNNXHOXEO-SSDOTTSWSA-N 1 2 183.211 0.628 20 0 ACADLO O=C1CN(c2cccc[nH+]2)CCCN1 141819945 697649430 /nfs/dbraw/zinc/64/94/30/697649430.db2.gz DQANBMJQTRTDRJ-UHFFFAOYSA-N 1 2 191.234 0.408 20 0 ACADLO O=C(Cc1[nH]cc[nH+]1)N1CCCCC1 146626273 697652930 /nfs/dbraw/zinc/65/29/30/697652930.db2.gz WUWNRZXEGZNXPK-UHFFFAOYSA-N 1 2 193.250 0.965 20 0 ACADLO Cn1nncc1CNc1cccc[nH+]1 165878290 697671325 /nfs/dbraw/zinc/67/13/25/697671325.db2.gz YTJYXCLFVKNRFY-UHFFFAOYSA-N 1 2 189.222 0.822 20 0 ACADLO O=C1CC[C@H](C[NH+]2CCOCC2)O1 196329263 697680012 /nfs/dbraw/zinc/68/00/12/697680012.db2.gz NKHYBPFIEWSCFH-MRVPVSSYSA-N 1 2 185.223 0.024 20 0 ACADLO 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Cn1ncc(C[NH2+]C/C=C/Cl)n1 389817573 698010892 /nfs/dbraw/zinc/01/08/92/698010892.db2.gz UFKPSLKJNAXPRY-NSCUHMNNSA-N 1 2 186.646 0.657 20 0 ACADLO Cn1ncc(C[NH2+]C/C=C\Cl)n1 389817572 698011036 /nfs/dbraw/zinc/01/10/36/698011036.db2.gz UFKPSLKJNAXPRY-IHWYPQMZSA-N 1 2 186.646 0.657 20 0 ACADLO CC(C)ONC(=O)CCn1cc[nH+]c1 393293289 698014352 /nfs/dbraw/zinc/01/43/52/698014352.db2.gz MXPDOOOLRNDLDD-UHFFFAOYSA-N 1 2 197.238 0.729 20 0 ACADLO Cn1nnc(C[NH2+]C2(C3CC3)CC2)n1 393671201 698020486 /nfs/dbraw/zinc/02/04/86/698020486.db2.gz LIZPPVKNPPRLGB-UHFFFAOYSA-N 1 2 193.254 0.242 20 0 ACADLO Cc1nnc(C[N@@H+](C)CC(C)(C)O)[nH]1 393673445 698020919 /nfs/dbraw/zinc/02/09/19/698020919.db2.gz NGPWXDDMTTYBBK-UHFFFAOYSA-N 1 2 198.270 0.316 20 0 ACADLO Cc1nnc(C[N@H+](C)CC(C)(C)O)[nH]1 393673445 698020924 /nfs/dbraw/zinc/02/09/24/698020924.db2.gz NGPWXDDMTTYBBK-UHFFFAOYSA-N 1 2 198.270 0.316 20 0 ACADLO O=C1OCC[C@H]1[NH2+][C@H](CCO)C1CC1 393682660 698021356 /nfs/dbraw/zinc/02/13/56/698021356.db2.gz HUNCZDGNWXYJIG-RKDXNWHRSA-N 1 2 199.250 0.053 20 0 ACADLO O=C1OCC[C@@H]1[NH2+][C@@H](CCO)C1CC1 393682659 698021459 /nfs/dbraw/zinc/02/14/59/698021459.db2.gz HUNCZDGNWXYJIG-IUCAKERBSA-N 1 2 199.250 0.053 20 0 ACADLO O=C1OCC[C@@H]1[NH2+][C@H](CCO)C1CC1 393682657 698021633 /nfs/dbraw/zinc/02/16/33/698021633.db2.gz HUNCZDGNWXYJIG-BDAKNGLRSA-N 1 2 199.250 0.053 20 0 ACADLO O=C1OCC[C@H]1[NH2+][C@@H](CCO)C1CC1 393682658 698021716 /nfs/dbraw/zinc/02/17/16/698021716.db2.gz HUNCZDGNWXYJIG-DTWKUNHWSA-N 1 2 199.250 0.053 20 0 ACADLO c1cn(C[C@@H]2COCCO2)c[nH+]1 606250735 698046307 /nfs/dbraw/zinc/04/63/07/698046307.db2.gz DFFZUDGEEAVJJZ-MRVPVSSYSA-N 1 2 168.196 0.299 20 0 ACADLO c1cn(C[C@H]2COCCO2)c[nH+]1 606250736 698046640 /nfs/dbraw/zinc/04/66/40/698046640.db2.gz DFFZUDGEEAVJJZ-QMMMGPOBSA-N 1 2 168.196 0.299 20 0 ACADLO Cc1ccnc(C[N@@H+]2CC[C@H](O)C2)n1 606265952 698049111 /nfs/dbraw/zinc/04/91/11/698049111.db2.gz YWIBODYSBZWGKK-VIFPVBQESA-N 1 2 193.250 0.352 20 0 ACADLO Cc1ccnc(C[N@H+]2CC[C@H](O)C2)n1 606265952 698049115 /nfs/dbraw/zinc/04/91/15/698049115.db2.gz YWIBODYSBZWGKK-VIFPVBQESA-N 1 2 193.250 0.352 20 0 ACADLO C=CC(=O)N1CC(n2cc[nH+]c2)C1 707473697 698056018 /nfs/dbraw/zinc/05/60/18/698056018.db2.gz JUMMCLXSAVYOIK-UHFFFAOYSA-N 1 2 177.207 0.452 20 0 ACADLO C[N@@H+]1CC[C@H]1CNCc1ncc[nH]1 712577958 698058985 /nfs/dbraw/zinc/05/89/85/698058985.db2.gz GMEOBRRSQNPFBN-QMMMGPOBSA-N 1 2 180.255 0.203 20 0 ACADLO C[N@H+]1CC[C@H]1CNCc1ncc[nH]1 712577958 698058991 /nfs/dbraw/zinc/05/89/91/698058991.db2.gz GMEOBRRSQNPFBN-QMMMGPOBSA-N 1 2 180.255 0.203 20 0 ACADLO C[N@@H+]1CC[C@@H]1CNCc1ncc[nH]1 712577956 698059264 /nfs/dbraw/zinc/05/92/64/698059264.db2.gz GMEOBRRSQNPFBN-MRVPVSSYSA-N 1 2 180.255 0.203 20 0 ACADLO C[N@H+]1CC[C@@H]1CNCc1ncc[nH]1 712577956 698059269 /nfs/dbraw/zinc/05/92/69/698059269.db2.gz GMEOBRRSQNPFBN-MRVPVSSYSA-N 1 2 180.255 0.203 20 0 ACADLO C[N@@H+]1CC[C@@H]1CNCc1cc[nH]n1 712579626 698059743 /nfs/dbraw/zinc/05/97/43/698059743.db2.gz LKEPWFAYUQOGRM-SECBINFHSA-N 1 2 180.255 0.203 20 0 ACADLO C[N@H+]1CC[C@@H]1CNCc1cc[nH]n1 712579626 698059748 /nfs/dbraw/zinc/05/97/48/698059748.db2.gz LKEPWFAYUQOGRM-SECBINFHSA-N 1 2 180.255 0.203 20 0 ACADLO C[N@@H+]1CC[C@H]1CNCc1cc[nH]n1 712579628 698059966 /nfs/dbraw/zinc/05/99/66/698059966.db2.gz LKEPWFAYUQOGRM-VIFPVBQESA-N 1 2 180.255 0.203 20 0 ACADLO C[N@H+]1CC[C@H]1CNCc1cc[nH]n1 712579628 698059971 /nfs/dbraw/zinc/05/99/71/698059971.db2.gz LKEPWFAYUQOGRM-VIFPVBQESA-N 1 2 180.255 0.203 20 0 ACADLO C[N@@H+](Cc1cn[nH]c1)CC1OCCO1 777616557 698094653 /nfs/dbraw/zinc/09/46/53/698094653.db2.gz QJGYVWVLAQNAQD-UHFFFAOYSA-N 1 2 197.238 0.214 20 0 ACADLO C[N@H+](Cc1cn[nH]c1)CC1OCCO1 777616557 698094658 /nfs/dbraw/zinc/09/46/58/698094658.db2.gz QJGYVWVLAQNAQD-UHFFFAOYSA-N 1 2 197.238 0.214 20 0 ACADLO CO[C@@H]1CC[N@H+](Cc2nnc(C)[nH]2)C1 794393478 698097403 /nfs/dbraw/zinc/09/74/03/698097403.db2.gz RNOGDBDWFACMDX-MRVPVSSYSA-N 1 2 196.254 0.334 20 0 ACADLO CO[C@@H]1CC[N@@H+](Cc2nnc(C)[nH]2)C1 794393478 698097408 /nfs/dbraw/zinc/09/74/08/698097408.db2.gz RNOGDBDWFACMDX-MRVPVSSYSA-N 1 2 196.254 0.334 20 0 ACADLO CC[N@H+](Cc1nonc1C)[C@@H](C)CO 815184550 698105640 /nfs/dbraw/zinc/10/56/40/698105640.db2.gz DNAZFCLOXCIOBD-ZETCQYMHSA-N 1 2 199.254 0.581 20 0 ACADLO CC[N@@H+](Cc1nonc1C)[C@@H](C)CO 815184550 698105643 /nfs/dbraw/zinc/10/56/43/698105643.db2.gz DNAZFCLOXCIOBD-ZETCQYMHSA-N 1 2 199.254 0.581 20 0 ACADLO CC[N@H+](Cc1cnn(C)n1)[C@@H](C)CO 815182704 698105681 /nfs/dbraw/zinc/10/56/81/698105681.db2.gz URNXEMKFBADUTG-QMMMGPOBSA-N 1 2 198.270 0.018 20 0 ACADLO CC[N@@H+](Cc1cnn(C)n1)[C@@H](C)CO 815182704 698105682 /nfs/dbraw/zinc/10/56/82/698105682.db2.gz URNXEMKFBADUTG-QMMMGPOBSA-N 1 2 198.270 0.018 20 0 ACADLO C=CC(=O)N[C@@H]1CCn2c[nH+]cc2C1 820437555 698107725 /nfs/dbraw/zinc/10/77/25/698107725.db2.gz VXDCCWOLAGMTSA-MRVPVSSYSA-N 1 2 191.234 0.500 20 0 ACADLO C=CC(=O)N[C@H]1CCn2c[nH+]cc2C1 820437556 698107820 /nfs/dbraw/zinc/10/78/20/698107820.db2.gz VXDCCWOLAGMTSA-QMMMGPOBSA-N 1 2 191.234 0.500 20 0 ACADLO O=C(Cc1[nH]cc[nH+]1)N1CC(F)C1 832039547 698114302 /nfs/dbraw/zinc/11/43/02/698114302.db2.gz MFXGMZXHRRZECP-UHFFFAOYSA-N 1 2 183.186 0.133 20 0 ACADLO CC1(C)CN(C(=O)Cc2[nH]cc[nH+]2)C1 834720082 698114606 /nfs/dbraw/zinc/11/46/06/698114606.db2.gz UJXAIQSATLXWAU-UHFFFAOYSA-N 1 2 193.250 0.821 20 0 ACADLO CON1CC[NH+](C/C=C/Cl)CC1 846983314 698123140 /nfs/dbraw/zinc/12/31/40/698123140.db2.gz YIFNRHIWIJBSAI-NSCUHMNNSA-N 1 2 190.674 0.918 20 0 ACADLO CON1CC[NH+](C/C=C\Cl)CC1 846983313 698123298 /nfs/dbraw/zinc/12/32/98/698123298.db2.gz YIFNRHIWIJBSAI-IHWYPQMZSA-N 1 2 190.674 0.918 20 0 ACADLO CCONC(=O)[C@H](C)Cc1c[nH]c[nH+]1 847312121 698123959 /nfs/dbraw/zinc/12/39/59/698123959.db2.gz GYYVDJMAQWNFOF-SSDOTTSWSA-N 1 2 197.238 0.656 20 0 ACADLO CCONC(=O)[C@H](C)Cc1c[nH+]c[nH]1 847312121 698123960 /nfs/dbraw/zinc/12/39/60/698123960.db2.gz GYYVDJMAQWNFOF-SSDOTTSWSA-N 1 2 197.238 0.656 20 0 ACADLO CON(C)C(=O)[C@H](C)Cc1c[nH]c[nH+]1 847311875 698123970 /nfs/dbraw/zinc/12/39/70/698123970.db2.gz CUJWSXCELISUTI-SSDOTTSWSA-N 1 2 197.238 0.608 20 0 ACADLO CON(C)C(=O)[C@H](C)Cc1c[nH+]c[nH]1 847311875 698123971 /nfs/dbraw/zinc/12/39/71/698123971.db2.gz CUJWSXCELISUTI-SSDOTTSWSA-N 1 2 197.238 0.608 20 0 ACADLO CON(C)C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 847311878 698123983 /nfs/dbraw/zinc/12/39/83/698123983.db2.gz CUJWSXCELISUTI-ZETCQYMHSA-N 1 2 197.238 0.608 20 0 ACADLO CON(C)C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 847311878 698123985 /nfs/dbraw/zinc/12/39/85/698123985.db2.gz CUJWSXCELISUTI-ZETCQYMHSA-N 1 2 197.238 0.608 20 0 ACADLO CCONC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 847312123 698123998 /nfs/dbraw/zinc/12/39/98/698123998.db2.gz GYYVDJMAQWNFOF-ZETCQYMHSA-N 1 2 197.238 0.656 20 0 ACADLO CCONC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 847312123 698124000 /nfs/dbraw/zinc/12/40/00/698124000.db2.gz GYYVDJMAQWNFOF-ZETCQYMHSA-N 1 2 197.238 0.656 20 0 ACADLO Cc1nc(NC[C@@H]2COCO2)cc[nH+]1 853687605 698128274 /nfs/dbraw/zinc/12/82/74/698128274.db2.gz XKVMPLKKXMYKEP-MRVPVSSYSA-N 1 2 195.222 0.570 20 0 ACADLO Cc1nc(NC[C@H]2COCO2)cc[nH+]1 853687606 698128469 /nfs/dbraw/zinc/12/84/69/698128469.db2.gz XKVMPLKKXMYKEP-QMMMGPOBSA-N 1 2 195.222 0.570 20 0 ACADLO C[C@@H](CO)Nc1cc(N(C)C)nc[nH+]1 891685412 698153376 /nfs/dbraw/zinc/15/33/76/698153376.db2.gz YUHUJIGGYKFORR-ZETCQYMHSA-N 1 2 196.254 0.335 20 0 ACADLO C[C@@H](CO)Nc1cc(N(C)C)[nH+]cn1 891685412 698153379 /nfs/dbraw/zinc/15/33/79/698153379.db2.gz YUHUJIGGYKFORR-ZETCQYMHSA-N 1 2 196.254 0.335 20 0 ACADLO C[C@H](CO)Nc1cc(N(C)C)nc[nH+]1 891685411 698153644 /nfs/dbraw/zinc/15/36/44/698153644.db2.gz YUHUJIGGYKFORR-SSDOTTSWSA-N 1 2 196.254 0.335 20 0 ACADLO C[C@H](CO)Nc1cc(N(C)C)[nH+]cn1 891685411 698153647 /nfs/dbraw/zinc/15/36/47/698153647.db2.gz YUHUJIGGYKFORR-SSDOTTSWSA-N 1 2 196.254 0.335 20 0 ACADLO CCn1cc(C[N@H+](C)CCCO)nn1 898912986 698164622 /nfs/dbraw/zinc/16/46/22/698164622.db2.gz UAXTWPYVIITQQP-UHFFFAOYSA-N 1 2 198.270 0.112 20 0 ACADLO CCn1cc(C[N@@H+](C)CCCO)nn1 898912986 698164627 /nfs/dbraw/zinc/16/46/27/698164627.db2.gz UAXTWPYVIITQQP-UHFFFAOYSA-N 1 2 198.270 0.112 20 0 ACADLO O=C(CNc1cccc[nH+]1)N1CCC1 900007732 698165499 /nfs/dbraw/zinc/16/54/99/698165499.db2.gz RYODBXHWAGBSRE-UHFFFAOYSA-N 1 2 191.234 0.726 20 0 ACADLO CCC1CN(C(=O)Cc2c[nH+]c[nH]2)C1 909569968 698168758 /nfs/dbraw/zinc/16/87/58/698168758.db2.gz UHBXVARYGHKEDU-UHFFFAOYSA-N 1 2 193.250 0.821 20 0 ACADLO CCn1cnc2c1CC[N@H+](CCO)C2 933259950 698183456 /nfs/dbraw/zinc/18/34/56/698183456.db2.gz VMZVBQBTRPFGLE-UHFFFAOYSA-N 1 2 195.266 0.253 20 0 ACADLO CCn1cnc2c1CC[N@@H+](CCO)C2 933259950 698183460 /nfs/dbraw/zinc/18/34/60/698183460.db2.gz VMZVBQBTRPFGLE-UHFFFAOYSA-N 1 2 195.266 0.253 20 0 ACADLO CCn1c[nH+]c2c1CCN(CCO)C2 933259950 698183465 /nfs/dbraw/zinc/18/34/65/698183465.db2.gz VMZVBQBTRPFGLE-UHFFFAOYSA-N 1 2 195.266 0.253 20 0 ACADLO CC[NH+]1CC(NC(=O)[C@H]2C[C@H]2C)C1 1030078888 698192534 /nfs/dbraw/zinc/19/25/34/698192534.db2.gz HUOHSUDHLBJWPA-APPZFPTMSA-N 1 2 182.267 0.463 20 0 ACADLO CC[NH+]1CC(NC(=O)[C@@H](C)C2CC2)C1 1030191974 698192635 /nfs/dbraw/zinc/19/26/35/698192635.db2.gz SWULMNOKOCRUGN-QMMMGPOBSA-N 1 2 196.294 0.853 20 0 ACADLO CC[NH+]1CC(NC(=O)c2cocn2)C1 1030159785 698192678 /nfs/dbraw/zinc/19/26/78/698192678.db2.gz TWNFKDUVEMNRDI-UHFFFAOYSA-N 1 2 195.222 0.109 20 0 ACADLO CC[NH+]1CC(NC(=O)c2cc[nH]c2)C1 1030354783 698192686 /nfs/dbraw/zinc/19/26/86/698192686.db2.gz JKSNRYDCDLSOPP-UHFFFAOYSA-N 1 2 193.250 0.449 20 0 ACADLO CC[NH+]1CC(NC(=O)[C@H]2CC2(C)C)C1 1030229168 698192696 /nfs/dbraw/zinc/19/26/96/698192696.db2.gz LGADDRUJQNFIRF-SECBINFHSA-N 1 2 196.294 0.853 20 0 ACADLO CC[NH+]1CC(NC(=O)C2(C)CCC2)C1 1030799685 698192722 /nfs/dbraw/zinc/19/27/22/698192722.db2.gz IZSGHBKAELDHMH-UHFFFAOYSA-N 1 2 196.294 0.997 20 0 ACADLO CC[NH+]1CC(NC(=O)C2(C)CC2)C1 1030351830 698192750 /nfs/dbraw/zinc/19/27/50/698192750.db2.gz RPTWXTUEJYQXAA-UHFFFAOYSA-N 1 2 182.267 0.607 20 0 ACADLO CC[NH+]1CC(NC(=O)[C@H](C)C2CC2)C1 1030191972 698192757 /nfs/dbraw/zinc/19/27/57/698192757.db2.gz SWULMNOKOCRUGN-MRVPVSSYSA-N 1 2 196.294 0.853 20 0 ACADLO CC[NH+]1CC(NC(=O)C2CC(C)C2)C1 1030202367 698192763 /nfs/dbraw/zinc/19/27/63/698192763.db2.gz IPVTWKXYLVWSDC-UHFFFAOYSA-N 1 2 196.294 0.853 20 0 ACADLO CC[NH+]1CC(NC(=O)[C@H]2C[C@@H]2C)C1 1030078890 698192770 /nfs/dbraw/zinc/19/27/70/698192770.db2.gz HUOHSUDHLBJWPA-CBAPKCEASA-N 1 2 182.267 0.463 20 0 ACADLO CC[NH+]1CC(NC(=O)c2ccc[nH]2)C1 1030104027 698192804 /nfs/dbraw/zinc/19/28/04/698192804.db2.gz PMNLUXQSALIPKN-UHFFFAOYSA-N 1 2 193.250 0.449 20 0 ACADLO CC[NH+]1CC(NC(=O)c2ccoc2)C1 1030101360 698192860 /nfs/dbraw/zinc/19/28/60/698192860.db2.gz CFUIXDPHSBJVDP-UHFFFAOYSA-N 1 2 194.234 0.714 20 0 ACADLO CC[NH+]1CC(NC(=O)[C@@H]2C[C@@H]2C)C1 1030078891 698192905 /nfs/dbraw/zinc/19/29/05/698192905.db2.gz HUOHSUDHLBJWPA-IONNQARKSA-N 1 2 182.267 0.463 20 0 ACADLO CC[NH+]1CC(NC(=O)[C@@H]2C[C@H]2C)C1 1030078892 698192912 /nfs/dbraw/zinc/19/29/12/698192912.db2.gz HUOHSUDHLBJWPA-VXNVDRBHSA-N 1 2 182.267 0.463 20 0 ACADLO CC[NH+]1CC(NC(=O)[C@@H]2CC2(C)C)C1 1030231546 698192936 /nfs/dbraw/zinc/19/29/36/698192936.db2.gz LGADDRUJQNFIRF-VIFPVBQESA-N 1 2 196.294 0.853 20 0 ACADLO CC(=O)N(C)C[C@H]1CC[N@@H+]1CCF 1085447115 698194481 /nfs/dbraw/zinc/19/44/81/698194481.db2.gz UYEBSNHQSDDLTB-SECBINFHSA-N 1 2 188.246 0.509 20 0 ACADLO CC(=O)N(C)C[C@H]1CC[N@H+]1CCF 1085447115 698194483 /nfs/dbraw/zinc/19/44/83/698194483.db2.gz UYEBSNHQSDDLTB-SECBINFHSA-N 1 2 188.246 0.509 20 0 ACADLO CC(=O)N(C)C[C@@H]1CC[N@@H+]1CCF 1085447116 698194728 /nfs/dbraw/zinc/19/47/28/698194728.db2.gz UYEBSNHQSDDLTB-VIFPVBQESA-N 1 2 188.246 0.509 20 0 ACADLO CC(=O)N(C)C[C@@H]1CC[N@H+]1CCF 1085447116 698194729 /nfs/dbraw/zinc/19/47/29/698194729.db2.gz UYEBSNHQSDDLTB-VIFPVBQESA-N 1 2 188.246 0.509 20 0 ACADLO C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]CCC(=O)[O-] 722223746 596969227 /nfs/dbraw/zinc/96/92/27/596969227.db2.gz MRLDHJZNPPKSBN-YUMQZZPRSA-N 1 2 186.255 0.001 20 0 ACADLO C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]CCC(=O)[O-] 722223746 596969228 /nfs/dbraw/zinc/96/92/28/596969228.db2.gz MRLDHJZNPPKSBN-YUMQZZPRSA-N 1 2 186.255 0.001 20 0 ACADLO C[C@H]1C[N@H+](C)C[C@H]1[NH2+]CCC(=O)[O-] 722223742 596969481 /nfs/dbraw/zinc/96/94/81/596969481.db2.gz MRLDHJZNPPKSBN-JGVFFNPUSA-N 1 2 186.255 0.001 20 0 ACADLO C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]CCC(=O)[O-] 722223742 596969484 /nfs/dbraw/zinc/96/94/84/596969484.db2.gz MRLDHJZNPPKSBN-JGVFFNPUSA-N 1 2 186.255 0.001 20 0 ACADLO C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]CCC(=O)[O-] 722223743 596969544 /nfs/dbraw/zinc/96/95/44/596969544.db2.gz MRLDHJZNPPKSBN-SFYZADRCSA-N 1 2 186.255 0.001 20 0 ACADLO C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]CCC(=O)[O-] 722223743 596969548 /nfs/dbraw/zinc/96/95/48/596969548.db2.gz MRLDHJZNPPKSBN-SFYZADRCSA-N 1 2 186.255 0.001 20 0 ACADLO C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]CCC(=O)[O-] 722223740 596969699 /nfs/dbraw/zinc/96/96/99/596969699.db2.gz MRLDHJZNPPKSBN-HTQZYQBOSA-N 1 2 186.255 0.001 20 0 ACADLO C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]CCC(=O)[O-] 722223740 596969701 /nfs/dbraw/zinc/96/97/01/596969701.db2.gz MRLDHJZNPPKSBN-HTQZYQBOSA-N 1 2 186.255 0.001 20 0 ACADLO C[C@@H](C(=O)[O-])[N@H+](C)CCn1cc[nH+]c1 54070222 598075431 /nfs/dbraw/zinc/07/54/31/598075431.db2.gz CVADHZVNWFQBDB-QMMMGPOBSA-N 1 2 197.238 0.288 20 0 ACADLO C[C@@H](C(=O)[O-])[N@@H+](C)CCn1cc[nH+]c1 54070222 598075435 /nfs/dbraw/zinc/07/54/35/598075435.db2.gz CVADHZVNWFQBDB-QMMMGPOBSA-N 1 2 197.238 0.288 20 0 ACADLO C[C@H](C(=O)[O-])[N@H+](C)CCn1cc[nH+]c1 54070224 598075444 /nfs/dbraw/zinc/07/54/44/598075444.db2.gz CVADHZVNWFQBDB-MRVPVSSYSA-N 1 2 197.238 0.288 20 0 ACADLO C[C@H](C(=O)[O-])[N@@H+](C)CCn1cc[nH+]c1 54070224 598075448 /nfs/dbraw/zinc/07/54/48/598075448.db2.gz CVADHZVNWFQBDB-MRVPVSSYSA-N 1 2 197.238 0.288 20 0 ACADLO C[N@@H+](CCC(=O)[O-])CCn1cc[nH+]c1 37932883 598075671 /nfs/dbraw/zinc/07/56/71/598075671.db2.gz JVAXMHLKHMJNCH-UHFFFAOYSA-N 1 2 197.238 0.290 20 0 ACADLO C[N@H+](CCC(=O)[O-])CCn1cc[nH+]c1 37932883 598075675 /nfs/dbraw/zinc/07/56/75/598075675.db2.gz JVAXMHLKHMJNCH-UHFFFAOYSA-N 1 2 197.238 0.290 20 0 ACADLO [NH3+]C1(c2ccco2)COC1 84327464 325609598 /nfs/dbraw/zinc/60/95/98/325609598.db2.gz ZEODBJLTBOZPLU-UHFFFAOYSA-N 1 2 139.154 0.464 20 0 ACADLO Cc1cc(N2CCC(=O)CC2)nc[nH+]1 40726924 132176960 /nfs/dbraw/zinc/17/69/60/132176960.db2.gz YINDWHYWLHAUOM-UHFFFAOYSA-N 1 2 191.234 0.954 20 0 ACADLO Nc1cc(N2CCSCC2)[nH+]cn1 39641293 132190299 /nfs/dbraw/zinc/19/02/99/132190299.db2.gz ODRKUNHRSIXSKJ-UHFFFAOYSA-N 1 2 196.279 0.612 20 0 ACADLO Cc1cc(N2CCC(O)CC2)nc[nH+]1 40727682 132190632 /nfs/dbraw/zinc/19/06/32/132190632.db2.gz NQNCHIFWQLJYRA-UHFFFAOYSA-N 1 2 193.250 0.746 20 0 ACADLO Cc1cc(N2CCC[C@H](O)C2)nc[nH+]1 40727678 132190676 /nfs/dbraw/zinc/19/06/76/132190676.db2.gz NGMFWSSHKHDISP-VIFPVBQESA-N 1 2 193.250 0.746 20 0 ACADLO Cc1cc(N2CCC[C@@H](O)C2)nc[nH+]1 40727680 132190792 /nfs/dbraw/zinc/19/07/92/132190792.db2.gz NGMFWSSHKHDISP-SECBINFHSA-N 1 2 193.250 0.746 20 0 ACADLO Nc1cc(N2CCC[C@H](O)C2)[nH+]cn1 44122399 132191122 /nfs/dbraw/zinc/19/11/22/132191122.db2.gz VICAIURTPZPLPL-ZETCQYMHSA-N 1 2 194.238 0.020 20 0 ACADLO Nc1cc(N2CCC[C@@H](O)C2)[nH+]cn1 44122403 132191299 /nfs/dbraw/zinc/19/12/99/132191299.db2.gz VICAIURTPZPLPL-SSDOTTSWSA-N 1 2 194.238 0.020 20 0 ACADLO C[N@H+](CC(F)F)C(C)(C)CO 17703464 343047523 /nfs/dbraw/zinc/04/75/23/343047523.db2.gz ODPRPEOPUPRZMI-UHFFFAOYSA-N 1 2 167.199 0.954 20 0 ACADLO C[N@@H+](CC(F)F)C(C)(C)CO 17703464 343047524 /nfs/dbraw/zinc/04/75/24/343047524.db2.gz ODPRPEOPUPRZMI-UHFFFAOYSA-N 1 2 167.199 0.954 20 0 ACADLO C[NH+]1CCN(C(=O)C(F)(F)F)CC1 23379209 343083352 /nfs/dbraw/zinc/08/33/52/343083352.db2.gz DEFPMQPLQGCYBT-UHFFFAOYSA-N 1 2 196.172 0.323 20 0 ACADLO CCNC(=O)[C@@H](C)[NH2+]Cc1cc[nH]n1 36900380 343153367 /nfs/dbraw/zinc/15/33/67/343153367.db2.gz WFYVCQSDKALTAR-SSDOTTSWSA-N 1 2 196.254 0.024 20 0 ACADLO Cc1[nH]ncc1C[NH2+]C[C@H]1CCCO1 36901538 343153972 /nfs/dbraw/zinc/15/39/72/343153972.db2.gz PTLQRNQKQYURMM-SNVBAGLBSA-N 1 2 195.266 0.987 20 0 ACADLO Cc1[nH]ncc1C[NH2+]C(C)(C)CO 36901679 343153975 /nfs/dbraw/zinc/15/39/75/343153975.db2.gz YOOXQWXKWRWBSC-UHFFFAOYSA-N 1 2 183.255 0.579 20 0 ACADLO Cc1[nH]ncc1C[NH2+]C[C@@H]1CCCO1 36901537 343154036 /nfs/dbraw/zinc/15/40/36/343154036.db2.gz PTLQRNQKQYURMM-JTQLQIEISA-N 1 2 195.266 0.987 20 0 ACADLO CN(C)C(=O)CNc1cccc[nH+]1 37207086 343162700 /nfs/dbraw/zinc/16/27/00/343162700.db2.gz MGCNAGUSXQDIJB-UHFFFAOYSA-N 1 2 179.223 0.582 20 0 ACADLO CC(=O)C[N@H+]1C[C@@H](C)OC[C@H]1C 37338082 343165707 /nfs/dbraw/zinc/16/57/07/343165707.db2.gz MITGQVOTMDWEJU-VXNVDRBHSA-N 1 2 171.240 0.685 20 0 ACADLO CC(=O)C[N@@H+]1C[C@@H](C)OC[C@H]1C 37338082 343165708 /nfs/dbraw/zinc/16/57/08/343165708.db2.gz MITGQVOTMDWEJU-VXNVDRBHSA-N 1 2 171.240 0.685 20 0 ACADLO CC(=O)C[N@H+]1C[C@H](C)OC[C@H]1C 37338084 343165856 /nfs/dbraw/zinc/16/58/56/343165856.db2.gz MITGQVOTMDWEJU-APPZFPTMSA-N 1 2 171.240 0.685 20 0 ACADLO CC(=O)C[N@@H+]1C[C@H](C)OC[C@H]1C 37338084 343165858 /nfs/dbraw/zinc/16/58/58/343165858.db2.gz MITGQVOTMDWEJU-APPZFPTMSA-N 1 2 171.240 0.685 20 0 ACADLO CCc1cc(NCCO)nc[nH+]1 40765068 343223255 /nfs/dbraw/zinc/22/32/55/343223255.db2.gz GEOMDWPONYAHBZ-UHFFFAOYSA-N 1 2 167.212 0.443 20 0 ACADLO Cc1cc(NCC(=O)N(C)C)nc[nH+]1 40727129 343222099 /nfs/dbraw/zinc/22/20/99/343222099.db2.gz GLUAMHQFPZCENB-UHFFFAOYSA-N 1 2 194.238 0.285 20 0 ACADLO Cc1cc(NC[C@@H](C)O)nc[nH+]1 40727159 343222366 /nfs/dbraw/zinc/22/23/66/343222366.db2.gz FBLHHEGQUSTUHC-SSDOTTSWSA-N 1 2 167.212 0.578 20 0 ACADLO Cc1cc(N[C@@H](C)CO)nc[nH+]1 40727163 343222371 /nfs/dbraw/zinc/22/23/71/343222371.db2.gz QKGJVQPNBPJFCT-ZETCQYMHSA-N 1 2 167.212 0.578 20 0 ACADLO Cc1cc(N[C@@H](C)C(N)=O)nc[nH+]1 40727207 343222469 /nfs/dbraw/zinc/22/24/69/343222469.db2.gz WGNAZCDSPONLCV-LURJTMIESA-N 1 2 180.211 0.071 20 0 ACADLO Cc1cc(N[C@H](C)CO)nc[nH+]1 40727165 343222481 /nfs/dbraw/zinc/22/24/81/343222481.db2.gz QKGJVQPNBPJFCT-SSDOTTSWSA-N 1 2 167.212 0.578 20 0 ACADLO CCc1cc(N[C@H](C)CO)nc[nH+]1 40765102 343223091 /nfs/dbraw/zinc/22/30/91/343223091.db2.gz UTCYFKSRGTWVAA-SSDOTTSWSA-N 1 2 181.239 0.832 20 0 ACADLO CCc1cc(NC[C@@H](C)O)nc[nH+]1 40765099 343223180 /nfs/dbraw/zinc/22/31/80/343223180.db2.gz DWIWHGJGSZUTNA-SSDOTTSWSA-N 1 2 181.239 0.832 20 0 ACADLO CCc1cc(NC[C@H](C)O)nc[nH+]1 40765100 343223196 /nfs/dbraw/zinc/22/31/96/343223196.db2.gz DWIWHGJGSZUTNA-ZETCQYMHSA-N 1 2 181.239 0.832 20 0 ACADLO CCc1cc(NCCCO)nc[nH+]1 40765069 343223211 /nfs/dbraw/zinc/22/32/11/343223211.db2.gz BMVLIABWFPLNAZ-UHFFFAOYSA-N 1 2 181.239 0.833 20 0 ACADLO CCc1cc(N[C@@H](C)CO)nc[nH+]1 40765101 343223216 /nfs/dbraw/zinc/22/32/16/343223216.db2.gz UTCYFKSRGTWVAA-ZETCQYMHSA-N 1 2 181.239 0.832 20 0 ACADLO CCc1cc(N(C)CCO)nc[nH+]1 40765372 343223243 /nfs/dbraw/zinc/22/32/43/343223243.db2.gz WWMJNFDBXOFFLR-UHFFFAOYSA-N 1 2 181.239 0.468 20 0 ACADLO CCOC(=O)C[N@H+](C)[C@@H](C)COC 42338081 343240714 /nfs/dbraw/zinc/24/07/14/343240714.db2.gz LSGGLSUIQJXWGI-QMMMGPOBSA-N 1 2 189.255 0.516 20 0 ACADLO CCOC(=O)C[N@@H+](C)[C@@H](C)COC 42338081 343240715 /nfs/dbraw/zinc/24/07/15/343240715.db2.gz LSGGLSUIQJXWGI-QMMMGPOBSA-N 1 2 189.255 0.516 20 0 ACADLO CNC(=O)[C@H](C)Nc1cc(C)[nH+]cn1 42571464 343247532 /nfs/dbraw/zinc/24/75/32/343247532.db2.gz QSQNRPZQXOCCTB-ZETCQYMHSA-N 1 2 194.238 0.331 20 0 ACADLO CNC(=O)[C@@H](C)Nc1cc(C)[nH+]cn1 42571467 343247541 /nfs/dbraw/zinc/24/75/41/343247541.db2.gz QSQNRPZQXOCCTB-SSDOTTSWSA-N 1 2 194.238 0.331 20 0 ACADLO C[C@@H](O)C[N@H+](C)Cc1cscn1 42867492 343250238 /nfs/dbraw/zinc/25/02/38/343250238.db2.gz SRZFDDXPYRHWHB-SSDOTTSWSA-N 1 2 186.280 0.956 20 0 ACADLO C[C@@H](O)C[N@@H+](C)Cc1cscn1 42867492 343250239 /nfs/dbraw/zinc/25/02/39/343250239.db2.gz SRZFDDXPYRHWHB-SSDOTTSWSA-N 1 2 186.280 0.956 20 0 ACADLO COC[C@@H](C)[NH2+][C@H](C)C(=O)OC 43626012 343256995 /nfs/dbraw/zinc/25/69/95/343256995.db2.gz FSSMLHSEXHLXET-RNFRBKRXSA-N 1 2 175.228 0.172 20 0 ACADLO COC[C@@H](C)[NH2+][C@@H](C)C(=O)OC 43626007 343257046 /nfs/dbraw/zinc/25/70/46/343257046.db2.gz FSSMLHSEXHLXET-RQJHMYQMSA-N 1 2 175.228 0.172 20 0 ACADLO NC(=O)NCCCCn1cc[nH+]c1 44353352 343264023 /nfs/dbraw/zinc/26/40/23/343264023.db2.gz FQGDKNHYHVLOTN-UHFFFAOYSA-N 1 2 182.227 0.332 20 0 ACADLO C[C@H](Nc1cccc[nH+]1)C(=O)N(C)C 49099770 343274935 /nfs/dbraw/zinc/27/49/35/343274935.db2.gz KFSRTENHHMJBNY-QMMMGPOBSA-N 1 2 193.250 0.970 20 0 ACADLO CCOC(=O)C[N@H+](CCO)C1CC1 48065379 343273723 /nfs/dbraw/zinc/27/37/23/343273723.db2.gz HLYBTLLNVAVQGC-UHFFFAOYSA-N 1 2 187.239 0.006 20 0 ACADLO Cc1nc(C[N@@H+]2CCC[C@@H]2CO)no1 50113614 343278068 /nfs/dbraw/zinc/27/80/68/343278068.db2.gz DSMHRWLUKSFYHT-MRVPVSSYSA-N 1 2 197.238 0.335 20 0 ACADLO Cc1nc(C[N@H+]2CCC[C@@H]2CO)no1 50113614 343278069 /nfs/dbraw/zinc/27/80/69/343278069.db2.gz DSMHRWLUKSFYHT-MRVPVSSYSA-N 1 2 197.238 0.335 20 0 ACADLO CCc1nnc(C[N@H+](CC)CCO)o1 50105198 343278440 /nfs/dbraw/zinc/27/84/40/343278440.db2.gz PBBSSWNXUGNPRE-UHFFFAOYSA-N 1 2 199.254 0.446 20 0 ACADLO CCc1nnc(C[N@@H+](CC)CCO)o1 50105198 343278441 /nfs/dbraw/zinc/27/84/41/343278441.db2.gz PBBSSWNXUGNPRE-UHFFFAOYSA-N 1 2 199.254 0.446 20 0 ACADLO Cc1cc(N(C)C[C@H](C)O)nc[nH+]1 51821150 343294213 /nfs/dbraw/zinc/29/42/13/343294213.db2.gz RCMYPUVAJCFDJU-QMMMGPOBSA-N 1 2 181.239 0.602 20 0 ACADLO Cc1cc(C[N@@H+](C)C[C@@H](C)O)no1 51837878 343294216 /nfs/dbraw/zinc/29/42/16/343294216.db2.gz FBVZCPGAGLVUAN-SSDOTTSWSA-N 1 2 184.239 0.796 20 0 ACADLO Cc1cc(C[N@H+](C)C[C@@H](C)O)no1 51837878 343294217 /nfs/dbraw/zinc/29/42/17/343294217.db2.gz FBVZCPGAGLVUAN-SSDOTTSWSA-N 1 2 184.239 0.796 20 0 ACADLO CCc1cc(N(C)C[C@@H](C)O)nc[nH+]1 51821155 343294221 /nfs/dbraw/zinc/29/42/21/343294221.db2.gz OLKMPZDXHFQSDP-MRVPVSSYSA-N 1 2 195.266 0.856 20 0 ACADLO CCc1noc(C[N@H+](C)C[C@@H](C)O)n1 51837927 343294523 /nfs/dbraw/zinc/29/45/23/343294523.db2.gz DECSDEVRFGQBSV-SSDOTTSWSA-N 1 2 199.254 0.445 20 0 ACADLO CCc1noc(C[N@@H+](C)C[C@@H](C)O)n1 51837927 343294525 /nfs/dbraw/zinc/29/45/25/343294525.db2.gz DECSDEVRFGQBSV-SSDOTTSWSA-N 1 2 199.254 0.445 20 0 ACADLO CCc1nnc(C[N@H+](C)C[C@H](C)O)o1 51837908 343294529 /nfs/dbraw/zinc/29/45/29/343294529.db2.gz KIWBWCNMVLFGLS-ZETCQYMHSA-N 1 2 199.254 0.445 20 0 ACADLO CCc1nnc(C[N@@H+](C)C[C@H](C)O)o1 51837908 343294530 /nfs/dbraw/zinc/29/45/30/343294530.db2.gz KIWBWCNMVLFGLS-ZETCQYMHSA-N 1 2 199.254 0.445 20 0 ACADLO CCc1nnc(C[N@H+](C)C[C@@H](C)O)o1 51837907 343294621 /nfs/dbraw/zinc/29/46/21/343294621.db2.gz KIWBWCNMVLFGLS-SSDOTTSWSA-N 1 2 199.254 0.445 20 0 ACADLO CCc1nnc(C[N@@H+](C)C[C@@H](C)O)o1 51837907 343294622 /nfs/dbraw/zinc/29/46/22/343294622.db2.gz KIWBWCNMVLFGLS-SSDOTTSWSA-N 1 2 199.254 0.445 20 0 ACADLO CCc1noc(C[N@H+](C)C[C@H](C)O)n1 51837928 343294626 /nfs/dbraw/zinc/29/46/26/343294626.db2.gz DECSDEVRFGQBSV-ZETCQYMHSA-N 1 2 199.254 0.445 20 0 ACADLO CCc1noc(C[N@@H+](C)C[C@H](C)O)n1 51837928 343294627 /nfs/dbraw/zinc/29/46/27/343294627.db2.gz DECSDEVRFGQBSV-ZETCQYMHSA-N 1 2 199.254 0.445 20 0 ACADLO Cc1noc(C[N@@H+](C)C[C@H](C)O)n1 51837898 343294637 /nfs/dbraw/zinc/29/46/37/343294637.db2.gz SQQWGCOPHCCHCV-LURJTMIESA-N 1 2 185.227 0.191 20 0 ACADLO Cc1noc(C[N@H+](C)C[C@H](C)O)n1 51837898 343294638 /nfs/dbraw/zinc/29/46/38/343294638.db2.gz SQQWGCOPHCCHCV-LURJTMIESA-N 1 2 185.227 0.191 20 0 ACADLO CCn1ccnc1C[N@H+](C)CCO 52345177 343306260 /nfs/dbraw/zinc/30/62/60/343306260.db2.gz IKUQZJWMFQIUKH-UHFFFAOYSA-N 1 2 183.255 0.327 20 0 ACADLO CCn1ccnc1C[N@@H+](C)CCO 52345177 343306261 /nfs/dbraw/zinc/30/62/61/343306261.db2.gz IKUQZJWMFQIUKH-UHFFFAOYSA-N 1 2 183.255 0.327 20 0 ACADLO COC(=O)C[NH2+]C1(CO)CCCC1 53069866 343312519 /nfs/dbraw/zinc/31/25/19/343312519.db2.gz KVMLCTGZIPMQQG-UHFFFAOYSA-N 1 2 187.239 0.054 20 0 ACADLO CC[C@H]([NH2+]CCOC)C(=O)OC 53258708 343313785 /nfs/dbraw/zinc/31/37/85/343313785.db2.gz NGLREKJQSCYAFH-ZETCQYMHSA-N 1 2 175.228 0.174 20 0 ACADLO CC[C@@](C)([NH2+]CCOC)C(=O)OC 53258280 343313791 /nfs/dbraw/zinc/31/37/91/343313791.db2.gz SFIXISZXCCWEGF-SECBINFHSA-N 1 2 189.255 0.564 20 0 ACADLO COCC[NH2+][C@@H](C(=O)OC)C1CC1 53258586 343313797 /nfs/dbraw/zinc/31/37/97/343313797.db2.gz FFASYEDUHWUDOW-MRVPVSSYSA-N 1 2 187.239 0.174 20 0 ACADLO CC[C@H](CO)Nc1cc[nH+]c(C)n1 54935811 343331982 /nfs/dbraw/zinc/33/19/82/343331982.db2.gz NSKWFCWKGXFHDF-MRVPVSSYSA-N 1 2 181.239 0.968 20 0 ACADLO Cc1nc(NC[C@H](C)O)cc[nH+]1 54935819 343331989 /nfs/dbraw/zinc/33/19/89/343331989.db2.gz WBZWIBKNWPHYBS-LURJTMIESA-N 1 2 167.212 0.578 20 0 ACADLO Cc1nc(N[C@H](C)CO)cc[nH+]1 54935823 343332005 /nfs/dbraw/zinc/33/20/05/343332005.db2.gz NJLGVSTXDNRJOJ-ZCFIWIBFSA-N 1 2 167.212 0.578 20 0 ACADLO Cc1nc(N(C)C[C@@H](C)O)cc[nH+]1 54937166 343332359 /nfs/dbraw/zinc/33/23/59/343332359.db2.gz KLHMRXOMRDPOJA-SSDOTTSWSA-N 1 2 181.239 0.602 20 0 ACADLO Cc1occc1C[N@@H+](C)[C@H](C)C(N)=O 58610126 343341205 /nfs/dbraw/zinc/34/12/05/343341205.db2.gz VYXILRBYEKNETM-SSDOTTSWSA-N 1 2 196.250 0.894 20 0 ACADLO Cc1occc1C[N@H+](C)[C@H](C)C(N)=O 58610126 343341206 /nfs/dbraw/zinc/34/12/06/343341206.db2.gz 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/nfs/dbraw/zinc/31/37/34/168313734.db2.gz XJVVFRXDJCORMW-UHFFFAOYSA-N 1 2 196.239 0.360 20 0 ACADLO C[C@@H](C(=O)N(C)C)n1cc[nH+]c1 41391562 168326366 /nfs/dbraw/zinc/32/63/66/168326366.db2.gz RHEZCRZNAGDGEN-ZETCQYMHSA-N 1 2 167.212 0.532 20 0 ACADLO C[C@@H](C(N)=O)[N@H+](C)Cc1ccco1 41392475 168330545 /nfs/dbraw/zinc/33/05/45/168330545.db2.gz RKLJIZGZWVMFHJ-ZETCQYMHSA-N 1 2 182.223 0.585 20 0 ACADLO C[C@@H](C(N)=O)[N@@H+](C)Cc1ccco1 41392475 168330546 /nfs/dbraw/zinc/33/05/46/168330546.db2.gz RKLJIZGZWVMFHJ-ZETCQYMHSA-N 1 2 182.223 0.585 20 0 ACADLO C[C@@H](CC(=O)[O-])[NH2+]CCn1cc[nH+]c1 42541341 168334950 /nfs/dbraw/zinc/33/49/50/168334950.db2.gz SYIGZTNQXHMSFS-QMMMGPOBSA-N 1 2 197.238 0.336 20 0 ACADLO C[C@@H](CC(=O)[O-])[NH2+][C@@H]1CC[N@H+](C)C1 42546779 168335305 /nfs/dbraw/zinc/33/53/05/168335305.db2.gz ALBSMQXJDJWMJB-JGVFFNPUSA-N 1 2 186.255 0.143 20 0 ACADLO C[C@@H](CC(=O)[O-])[NH2+][C@@H]1CC[N@@H+](C)C1 42546779 168335307 /nfs/dbraw/zinc/33/53/07/168335307.db2.gz ALBSMQXJDJWMJB-JGVFFNPUSA-N 1 2 186.255 0.143 20 0 ACADLO C[C@@H](CC(=O)[O-])[NH2+][C@H]1CC[N@H+](C)C1 42546786 168335458 /nfs/dbraw/zinc/33/54/58/168335458.db2.gz ALBSMQXJDJWMJB-YUMQZZPRSA-N 1 2 186.255 0.143 20 0 ACADLO C[C@@H](CC(=O)[O-])[NH2+][C@H]1CC[N@@H+](C)C1 42546786 168335460 /nfs/dbraw/zinc/33/54/60/168335460.db2.gz ALBSMQXJDJWMJB-YUMQZZPRSA-N 1 2 186.255 0.143 20 0 ACADLO C[C@@H](CC(=O)[O-])[NH2+]C[C@H](C)[NH+](C)C 45107554 168335991 /nfs/dbraw/zinc/33/59/91/168335991.db2.gz KYUGORLFSYCUFH-YUMQZZPRSA-N 1 2 188.271 0.389 20 0 ACADLO C[C@@H](CC(=O)[O-])[NH2+]C[C@@H](C)[NH+](C)C 45107552 168336204 /nfs/dbraw/zinc/33/62/04/168336204.db2.gz KYUGORLFSYCUFH-JGVFFNPUSA-N 1 2 188.271 0.389 20 0 ACADLO C[C@@H](C[NH2+][C@H](C)CC(=O)[O-])[NH+](C)C 45107555 168349357 /nfs/dbraw/zinc/34/93/57/168349357.db2.gz KYUGORLFSYCUFH-SFYZADRCSA-N 1 2 188.271 0.389 20 0 ACADLO C[C@@H](CO)[NH2+]Cc1csnn1 36902211 168349891 /nfs/dbraw/zinc/34/98/91/168349891.db2.gz WLGSQERXHWOVHC-YFKPBYRVSA-N 1 2 173.241 0.009 20 0 ACADLO C[C@@H](CO)Nc1cccc[nH+]1 35606887 168353325 /nfs/dbraw/zinc/35/33/25/168353325.db2.gz UPGLJGFNYDBLCH-ZETCQYMHSA-N 1 2 152.197 0.874 20 0 ACADLO C[C@@H](F)CC[NH+]1CCS(=O)CC1 306981841 168355500 /nfs/dbraw/zinc/35/55/00/168355500.db2.gz IMVMWDFORUPVFY-MRVPVSSYSA-N 1 2 193.287 0.799 20 0 ACADLO C[C@@H](Cn1cc[nH+]c1)[NH2+][C@@H](C)C(=O)[O-] 43627926 168356483 /nfs/dbraw/zinc/35/64/83/168356483.db2.gz RYJJNCNXGPQEPQ-YUMQZZPRSA-N 1 2 197.238 0.334 20 0 ACADLO C[C@@H](Cn1cc[nH+]c1)[NH2+][C@H](C)C(=O)[O-] 43627932 168356568 /nfs/dbraw/zinc/35/65/68/168356568.db2.gz RYJJNCNXGPQEPQ-JGVFFNPUSA-N 1 2 197.238 0.334 20 0 ACADLO C[C@@H]([NH3+])c1cc(=O)[nH]o1 28770773 168370258 /nfs/dbraw/zinc/37/02/58/168370258.db2.gz ICRYUJPBYIPXQF-GSVOUGTGSA-N 1 2 128.131 0.400 20 0 in-vivo ACADLO C[C@@H]([NH2+]CCCn1cc[nH+]c1)C(=O)[O-] 49328754 168380496 /nfs/dbraw/zinc/38/04/96/168380496.db2.gz PBJRNNOWQHSCNS-MRVPVSSYSA-N 1 2 197.238 0.336 20 0 ACADLO C[C@@H](O)C[N@H+](C)Cc1nccn1C 51821513 168390982 /nfs/dbraw/zinc/39/09/82/168390982.db2.gz OXWQZFBGKQPTDM-MRVPVSSYSA-N 1 2 183.255 0.233 20 0 ACADLO C[C@@H](O)C[N@@H+](C)Cc1nccn1C 51821513 168390983 /nfs/dbraw/zinc/39/09/83/168390983.db2.gz OXWQZFBGKQPTDM-MRVPVSSYSA-N 1 2 183.255 0.233 20 0 ACADLO C[C@@H](O)C[N@H+](C)CC(F)F 51821505 168391022 /nfs/dbraw/zinc/39/10/22/168391022.db2.gz WPVJPUCGXNTPFF-RXMQYKEDSA-N 1 2 153.172 0.564 20 0 ACADLO C[C@@H](O)C[N@@H+](C)CC(F)F 51821505 168391024 /nfs/dbraw/zinc/39/10/24/168391024.db2.gz WPVJPUCGXNTPFF-RXMQYKEDSA-N 1 2 153.172 0.564 20 0 ACADLO C[C@@H](O)C[N@@H+]1CCC(F)(F)C1 306694509 168391805 /nfs/dbraw/zinc/39/18/05/168391805.db2.gz SYWINEFFTALABF-ZCFIWIBFSA-N 1 2 165.183 0.708 20 0 ACADLO C[C@@H](O)C[N@H+]1CCC(F)(F)C1 306694509 168391806 /nfs/dbraw/zinc/39/18/06/168391806.db2.gz SYWINEFFTALABF-ZCFIWIBFSA-N 1 2 165.183 0.708 20 0 ACADLO C[C@@H](O)CN(C)c1cc(CO)cc[nH+]1 51839534 168392552 /nfs/dbraw/zinc/39/25/52/168392552.db2.gz QPARSDRMZOOHKI-MRVPVSSYSA-N 1 2 196.250 0.391 20 0 ACADLO C[C@@H](O)CNc1cccc[nH+]1 13550090 168395564 /nfs/dbraw/zinc/39/55/64/168395564.db2.gz VJRVWEKZGGTVCI-SSDOTTSWSA-N 1 2 152.197 0.874 20 0 ACADLO C[C@@H]1COCCN1Cc1c[nH+]cn1C 335748539 168461486 /nfs/dbraw/zinc/46/14/86/168461486.db2.gz WXYYTNUYMTXKFZ-SECBINFHSA-N 1 2 195.266 0.641 20 0 ACADLO C[C@H](CC(=O)[O-])[NH2+][C@H]1CC[N@H+](C)C1 42546789 168522096 /nfs/dbraw/zinc/52/20/96/168522096.db2.gz ALBSMQXJDJWMJB-SFYZADRCSA-N 1 2 186.255 0.143 20 0 ACADLO C[C@H](CC(=O)[O-])[NH2+][C@H]1CC[N@@H+](C)C1 42546789 168522098 /nfs/dbraw/zinc/52/20/98/168522098.db2.gz ALBSMQXJDJWMJB-SFYZADRCSA-N 1 2 186.255 0.143 20 0 ACADLO C[C@H](CC(=O)[O-])[NH2+]C[C@@H](C)[NH+](C)C 45107553 168522412 /nfs/dbraw/zinc/52/24/12/168522412.db2.gz KYUGORLFSYCUFH-HTQZYQBOSA-N 1 2 188.271 0.389 20 0 ACADLO C[C@H]([NH3+])c1cc(=O)[nH]o1 29205507 168555556 /nfs/dbraw/zinc/55/55/56/168555556.db2.gz ICRYUJPBYIPXQF-VKHMYHEASA-N 1 2 128.131 0.400 20 0 in-vivo ACADLO Cc1ccc([C@H]2[NH2+]CCNC2=O)cc1 84554306 168843262 /nfs/dbraw/zinc/84/32/62/168843262.db2.gz RXFUIHADWKAZNF-SNVBAGLBSA-N 1 2 190.246 0.756 20 0 in-vitro ACADLO Cc1cnc(C[N@@H+]2CCC[C@@H](O)C2)o1 335556020 168902434 /nfs/dbraw/zinc/90/24/34/168902434.db2.gz BNEWVWUACRVYKX-SECBINFHSA-N 1 2 196.250 0.940 20 0 ACADLO Cc1cnc(C[N@H+]2CCC[C@@H](O)C2)o1 335556020 168902435 /nfs/dbraw/zinc/90/24/35/168902435.db2.gz BNEWVWUACRVYKX-SECBINFHSA-N 1 2 196.250 0.940 20 0 ACADLO Cc1nc(NCCCO)cc[nH+]1 54935762 168968985 /nfs/dbraw/zinc/96/89/85/168968985.db2.gz XZWYXJKOOIZNBT-UHFFFAOYSA-N 1 2 167.212 0.579 20 0 ACADLO Cc1occc1C[N@H+](C)CC(N)=O 42294874 169011653 /nfs/dbraw/zinc/01/16/53/169011653.db2.gz SMWBQXDWLAGZBJ-UHFFFAOYSA-N 1 2 182.223 0.505 20 0 ACADLO Cc1occc1C[N@@H+](C)CC(N)=O 42294874 169011655 /nfs/dbraw/zinc/01/16/55/169011655.db2.gz SMWBQXDWLAGZBJ-UHFFFAOYSA-N 1 2 182.223 0.505 20 0 ACADLO Clc1nnn2c1C[NH2+]CC2 261507838 169027674 /nfs/dbraw/zinc/02/76/74/169027674.db2.gz MTUINNRYRDYKBM-UHFFFAOYSA-N 1 2 158.592 0.035 20 0 ACADLO Cn1cc(C[NH2+]Cc2cc[nH]n2)cn1 20349849 169037610 /nfs/dbraw/zinc/03/76/10/169037610.db2.gz FLDSPURMCDSXSE-UHFFFAOYSA-N 1 2 191.238 0.433 20 0 ACADLO Cn1cc(C[N@@H+]2CCC[C@H]2CF)nn1 336371708 169037809 /nfs/dbraw/zinc/03/78/09/169037809.db2.gz GWSWHAZWGOXTMZ-VIFPVBQESA-N 1 2 198.245 0.749 20 0 ACADLO Cn1cc(C[N@H+]2CCC[C@H]2CF)nn1 336371708 169037810 /nfs/dbraw/zinc/03/78/10/169037810.db2.gz GWSWHAZWGOXTMZ-VIFPVBQESA-N 1 2 198.245 0.749 20 0 ACADLO Cn1cc(C[NH2+]Cc2ccco2)nn1 54858332 169037869 /nfs/dbraw/zinc/03/78/69/169037869.db2.gz VDUSEEGAFIJHBJ-UHFFFAOYSA-N 1 2 192.222 0.698 20 0 ACADLO Cn1cc(C[N@@H+]2CC[C@@](C)(F)C2)nn1 335326716 169038040 /nfs/dbraw/zinc/03/80/40/169038040.db2.gz WGWVYWUIUGYQIQ-SECBINFHSA-N 1 2 198.245 0.749 20 0 ACADLO Cn1cc(C[N@H+]2CC[C@@](C)(F)C2)nn1 335326716 169038041 /nfs/dbraw/zinc/03/80/41/169038041.db2.gz WGWVYWUIUGYQIQ-SECBINFHSA-N 1 2 198.245 0.749 20 0 ACADLO Cn1cc(C[N@@H+]2CC[C@](C)(F)C2)nn1 335326717 169038061 /nfs/dbraw/zinc/03/80/61/169038061.db2.gz WGWVYWUIUGYQIQ-VIFPVBQESA-N 1 2 198.245 0.749 20 0 ACADLO Cn1cc(C[N@H+]2CC[C@](C)(F)C2)nn1 335326717 169038062 /nfs/dbraw/zinc/03/80/62/169038062.db2.gz WGWVYWUIUGYQIQ-VIFPVBQESA-N 1 2 198.245 0.749 20 0 ACADLO Cn1cc(C[N@@H+]2CCC[C@@H]2CF)nn1 336371707 169038163 /nfs/dbraw/zinc/03/81/63/169038163.db2.gz GWSWHAZWGOXTMZ-SECBINFHSA-N 1 2 198.245 0.749 20 0 ACADLO Cn1cc(C[N@H+]2CCC[C@@H]2CF)nn1 336371707 169038164 /nfs/dbraw/zinc/03/81/64/169038164.db2.gz GWSWHAZWGOXTMZ-SECBINFHSA-N 1 2 198.245 0.749 20 0 ACADLO Cn1cc(C[N@@H+]2CC[C@@H](F)C2)cn1 336222923 169038399 /nfs/dbraw/zinc/03/83/99/169038399.db2.gz WAEWWRRLNHJCEZ-SECBINFHSA-N 1 2 183.230 0.964 20 0 ACADLO Cn1cc(C[N@H+]2CC[C@@H](F)C2)cn1 336222923 169038401 /nfs/dbraw/zinc/03/84/01/169038401.db2.gz WAEWWRRLNHJCEZ-SECBINFHSA-N 1 2 183.230 0.964 20 0 ACADLO Cn1cc(C[NH2+]Cc2ncc[nH]2)cn1 49715678 169038625 /nfs/dbraw/zinc/03/86/25/169038625.db2.gz IDZAZHKTRIGQRH-UHFFFAOYSA-N 1 2 191.238 0.433 20 0 ACADLO Cn1cc(CNCc2[nH]cc[nH+]2)cn1 49715678 169038627 /nfs/dbraw/zinc/03/86/27/169038627.db2.gz IDZAZHKTRIGQRH-UHFFFAOYSA-N 1 2 191.238 0.433 20 0 ACADLO Cn1cc(C[NH2+]Cc2cnc[nH]2)cn1 54765190 169038793 /nfs/dbraw/zinc/03/87/93/169038793.db2.gz LQIHYJMPABITHT-UHFFFAOYSA-N 1 2 191.238 0.433 20 0 ACADLO Cn1cc(C[NH+]2CCSCC2)nn1 335033897 169039052 /nfs/dbraw/zinc/03/90/52/169039052.db2.gz GJRASGAUVSPSDT-UHFFFAOYSA-N 1 2 198.295 0.364 20 0 ACADLO Cn1cc(C[N@@H+]2CC[C@H](F)C2)cn1 336222924 169039072 /nfs/dbraw/zinc/03/90/72/169039072.db2.gz WAEWWRRLNHJCEZ-VIFPVBQESA-N 1 2 183.230 0.964 20 0 ACADLO Cn1cc(C[N@H+]2CC[C@H](F)C2)cn1 336222924 169039073 /nfs/dbraw/zinc/03/90/73/169039073.db2.gz WAEWWRRLNHJCEZ-VIFPVBQESA-N 1 2 183.230 0.964 20 0 ACADLO Cn1cc(C[NH2+][C@H]2CCC[C@H]2F)nn1 307091339 169040033 /nfs/dbraw/zinc/04/00/33/169040033.db2.gz XFPKFOJWLOBBCW-BDAKNGLRSA-N 1 2 198.245 0.795 20 0 ACADLO Cn1cc(C[NH2+][C@@H]2CCC[C@@H]2F)nn1 306457966 169040652 /nfs/dbraw/zinc/04/06/52/169040652.db2.gz XFPKFOJWLOBBCW-DTWKUNHWSA-N 1 2 198.245 0.795 20 0 ACADLO Cn1cc(NCc2c[nH+]c[nH]2)cn1 54764075 169041449 /nfs/dbraw/zinc/04/14/49/169041449.db2.gz RGNRDXIAASHYNW-UHFFFAOYSA-N 1 2 177.211 0.755 20 0 ACADLO Cn1cc(NCc2c[nH]c[nH+]2)cn1 54764075 169041450 /nfs/dbraw/zinc/04/14/50/169041450.db2.gz RGNRDXIAASHYNW-UHFFFAOYSA-N 1 2 177.211 0.755 20 0 ACADLO Cn1ccc(C[NH2+]Cc2cc[nH]n2)n1 20349813 169044218 /nfs/dbraw/zinc/04/42/18/169044218.db2.gz UNJIMFSOFOFWHW-UHFFFAOYSA-N 1 2 191.238 0.433 20 0 ACADLO Cn1ccc(C[N@@H+]2CC[C@H](F)C2)n1 336222808 169044357 /nfs/dbraw/zinc/04/43/57/169044357.db2.gz MFYCQMRFXMMXPF-QMMMGPOBSA-N 1 2 183.230 0.964 20 0 ACADLO Cn1ccc(C[N@H+]2CC[C@H](F)C2)n1 336222808 169044358 /nfs/dbraw/zinc/04/43/58/169044358.db2.gz MFYCQMRFXMMXPF-QMMMGPOBSA-N 1 2 183.230 0.964 20 0 ACADLO Cn1ccc(C[NH+]2CCSCC2)n1 335520726 169044637 /nfs/dbraw/zinc/04/46/37/169044637.db2.gz ITOMLDIYQIBXFG-UHFFFAOYSA-N 1 2 197.307 0.969 20 0 ACADLO Cn1ccc(C[N@@H+]2CC[C@@H](F)C2)n1 336222807 169045265 /nfs/dbraw/zinc/04/52/65/169045265.db2.gz MFYCQMRFXMMXPF-MRVPVSSYSA-N 1 2 183.230 0.964 20 0 ACADLO Cn1ccc(C[N@H+]2CC[C@@H](F)C2)n1 336222807 169045267 /nfs/dbraw/zinc/04/52/67/169045267.db2.gz MFYCQMRFXMMXPF-MRVPVSSYSA-N 1 2 183.230 0.964 20 0 ACADLO Cn1ccc(NCc2c[nH+]c[nH]2)n1 54764981 169047097 /nfs/dbraw/zinc/04/70/97/169047097.db2.gz RSMVDORGMHCEME-UHFFFAOYSA-N 1 2 177.211 0.755 20 0 ACADLO Cn1ccc(NCc2c[nH]c[nH+]2)n1 54764981 169047099 /nfs/dbraw/zinc/04/70/99/169047099.db2.gz RSMVDORGMHCEME-UHFFFAOYSA-N 1 2 177.211 0.755 20 0 ACADLO Cn1cccc1C[NH+]1CC(O)C1 76595544 169050295 /nfs/dbraw/zinc/05/02/95/169050295.db2.gz YFDNZJHDUSQABM-UHFFFAOYSA-N 1 2 166.224 0.202 20 0 ACADLO Cn1cc[nH+]c1CSc1cn[nH]n1 306182095 169051403 /nfs/dbraw/zinc/05/14/03/169051403.db2.gz WKTQMEZEGWDKHL-UHFFFAOYSA-N 1 2 195.251 0.831 20 0 ACADLO Cn1cc[nH+]c1CSc1c[nH]nn1 306182095 169051405 /nfs/dbraw/zinc/05/14/05/169051405.db2.gz WKTQMEZEGWDKHL-UHFFFAOYSA-N 1 2 195.251 0.831 20 0 ACADLO Cn1cc[nH+]c1CNC(=O)NC1CC1 122423129 169051439 /nfs/dbraw/zinc/05/14/39/169051439.db2.gz XEBUYJPEMNUYSF-UHFFFAOYSA-N 1 2 194.238 0.382 20 0 ACADLO Cn1cc[nH+]c1CNC(=O)C1(C)CC1 336054069 169052186 /nfs/dbraw/zinc/05/21/86/169052186.db2.gz LDPFQEIONZCBTE-UHFFFAOYSA-N 1 2 193.250 0.836 20 0 ACADLO Cn1cc[nH+]c1CN1CCOCC1 257845628 169052571 /nfs/dbraw/zinc/05/25/71/169052571.db2.gz ACQMPQIBTTVKOY-UHFFFAOYSA-N 1 2 181.239 0.252 20 0 ACADLO Cn1ccnc1C[NH+]1CCC(O)CC1 49856606 169052738 /nfs/dbraw/zinc/05/27/38/169052738.db2.gz LJCDKDSOUOHFFR-UHFFFAOYSA-N 1 2 195.266 0.377 20 0 ACADLO Cn1ccnc1C[N@@H+]1CCCOCC1 336265145 169052759 /nfs/dbraw/zinc/05/27/59/169052759.db2.gz HERDCCWXEYFRNQ-UHFFFAOYSA-N 1 2 195.266 0.642 20 0 ACADLO Cn1ccnc1C[N@H+]1CCCOCC1 336265145 169052762 /nfs/dbraw/zinc/05/27/62/169052762.db2.gz HERDCCWXEYFRNQ-UHFFFAOYSA-N 1 2 195.266 0.642 20 0 ACADLO Cn1c[nH+]cc1Cn1ccccc1=O 129851009 169057035 /nfs/dbraw/zinc/05/70/35/169057035.db2.gz RNXKJZCNYBGKLD-UHFFFAOYSA-N 1 2 189.218 0.630 20 0 ACADLO Cn1c[nH+]cc1[C@H]1C[C@H](O)CCO1 85182494 169057255 /nfs/dbraw/zinc/05/72/55/169057255.db2.gz OALXTSYQNAVAQQ-VXNVDRBHSA-N 1 2 182.223 0.633 20 0 ACADLO Cn1c[nH+]cc1[C@@H]1C[C@@H](O)CCO1 85182497 169057579 /nfs/dbraw/zinc/05/75/79/169057579.db2.gz OALXTSYQNAVAQQ-CBAPKCEASA-N 1 2 182.223 0.633 20 0 ACADLO Cn1c[nH+]cc1CSc1cn[nH]n1 307414922 169057885 /nfs/dbraw/zinc/05/78/85/169057885.db2.gz UDFFAEBAEOVRMU-UHFFFAOYSA-N 1 2 195.251 0.831 20 0 ACADLO Cn1c[nH+]cc1CSc1c[nH]nn1 307414922 169057887 /nfs/dbraw/zinc/05/78/87/169057887.db2.gz UDFFAEBAEOVRMU-UHFFFAOYSA-N 1 2 195.251 0.831 20 0 ACADLO Cn1c[nH+]cc1CNC(=O)NC1CC1 306766092 169058100 /nfs/dbraw/zinc/05/81/00/169058100.db2.gz NTWFVEVSDJVFEG-UHFFFAOYSA-N 1 2 194.238 0.382 20 0 ACADLO Cn1c[nH+]cc1[C@H]1C[C@@H](O)CCO1 85182498 169058527 /nfs/dbraw/zinc/05/85/27/169058527.db2.gz OALXTSYQNAVAQQ-IONNQARKSA-N 1 2 182.223 0.633 20 0 ACADLO Cn1c[nH+]cc1[C@@H]1C[C@H](O)CCO1 85182492 169058760 /nfs/dbraw/zinc/05/87/60/169058760.db2.gz OALXTSYQNAVAQQ-APPZFPTMSA-N 1 2 182.223 0.633 20 0 ACADLO Cn1cnnc1C[NH2+]Cc1ccco1 37996966 169059172 /nfs/dbraw/zinc/05/91/72/169059172.db2.gz HNQNDFTXUPXNAL-UHFFFAOYSA-N 1 2 192.222 0.698 20 0 ACADLO Cn1ncc2c(N3CCC3)[nH+]cnc21 32899475 169064800 /nfs/dbraw/zinc/06/48/00/169064800.db2.gz OJWIOVZUOJIZHC-UHFFFAOYSA-N 1 2 189.222 0.573 20 0 ACADLO Cn1ncnc1C[NH+]1CCCCC1 306242121 169067978 /nfs/dbraw/zinc/06/79/78/169067978.db2.gz VNRAARRGCXPOMN-UHFFFAOYSA-N 1 2 180.255 0.801 20 0 ACADLO Cn1nncc1C[N@@H+]1CCC[C@H]1CF 334387363 169069079 /nfs/dbraw/zinc/06/90/79/169069079.db2.gz PGZFNPYFFTVAPL-QMMMGPOBSA-N 1 2 198.245 0.749 20 0 ACADLO Cn1nncc1C[N@H+]1CCC[C@H]1CF 334387363 169069082 /nfs/dbraw/zinc/06/90/82/169069082.db2.gz PGZFNPYFFTVAPL-QMMMGPOBSA-N 1 2 198.245 0.749 20 0 ACADLO Cn1nncc1C[NH+]1CCSCC1 306261539 169069340 /nfs/dbraw/zinc/06/93/40/169069340.db2.gz WLPPGPIRCXGJFD-UHFFFAOYSA-N 1 2 198.295 0.364 20 0 ACADLO Cn1nncc1C[N@@H+]1CC[C@](C)(F)C1 335765858 169069535 /nfs/dbraw/zinc/06/95/35/169069535.db2.gz FAFKVRPYGZMFCB-VIFPVBQESA-N 1 2 198.245 0.749 20 0 ACADLO Cn1nncc1C[N@H+]1CC[C@](C)(F)C1 335765858 169069537 /nfs/dbraw/zinc/06/95/37/169069537.db2.gz FAFKVRPYGZMFCB-VIFPVBQESA-N 1 2 198.245 0.749 20 0 ACADLO Cn1nncc1C[N@@H+]1CCC[C@@H]1CF 334387362 169069549 /nfs/dbraw/zinc/06/95/49/169069549.db2.gz PGZFNPYFFTVAPL-MRVPVSSYSA-N 1 2 198.245 0.749 20 0 ACADLO Cn1nncc1C[N@H+]1CCC[C@@H]1CF 334387362 169069551 /nfs/dbraw/zinc/06/95/51/169069551.db2.gz PGZFNPYFFTVAPL-MRVPVSSYSA-N 1 2 198.245 0.749 20 0 ACADLO Cn1nncc1C[N@@H+]1CC[C@@](C)(F)C1 335765857 169070087 /nfs/dbraw/zinc/07/00/87/169070087.db2.gz FAFKVRPYGZMFCB-SECBINFHSA-N 1 2 198.245 0.749 20 0 ACADLO Cn1nncc1C[N@H+]1CC[C@@](C)(F)C1 335765857 169070090 /nfs/dbraw/zinc/07/00/90/169070090.db2.gz FAFKVRPYGZMFCB-SECBINFHSA-N 1 2 198.245 0.749 20 0 ACADLO FC1=CCC[N@H+](CCn2cncn2)C1 336605047 169077060 /nfs/dbraw/zinc/07/70/60/169077060.db2.gz YYZDIAZRUDOAPF-UHFFFAOYSA-N 1 2 196.229 0.837 20 0 ACADLO FC1=CCC[N@@H+](CCn2cncn2)C1 336605047 169077062 /nfs/dbraw/zinc/07/70/62/169077062.db2.gz YYZDIAZRUDOAPF-UHFFFAOYSA-N 1 2 196.229 0.837 20 0 ACADLO FCC1CC[NH+](Cc2cnn[nH]2)CC1 336261503 169078548 /nfs/dbraw/zinc/07/85/48/169078548.db2.gz GKEXFYBGCKYWQI-UHFFFAOYSA-N 1 2 198.245 0.986 20 0 ACADLO FCC1CC[NH+](Cc2c[nH]nn2)CC1 336261503 169078549 /nfs/dbraw/zinc/07/85/49/169078549.db2.gz GKEXFYBGCKYWQI-UHFFFAOYSA-N 1 2 198.245 0.986 20 0 ACADLO FCC1CC[NH+](Cc2cn[nH]n2)CC1 336261503 169078550 /nfs/dbraw/zinc/07/85/50/169078550.db2.gz GKEXFYBGCKYWQI-UHFFFAOYSA-N 1 2 198.245 0.986 20 0 ACADLO FCC[NH+]1CCOCC1 38867958 169078693 /nfs/dbraw/zinc/07/86/93/169078693.db2.gz ZKNHJXYULBASIR-UHFFFAOYSA-N 1 2 133.166 0.288 20 0 ACADLO FCC[NH2+][C@@H]1CCn2ccnc21 306650593 169078702 /nfs/dbraw/zinc/07/87/02/169078702.db2.gz BXPUVVFWHMIPCN-SSDOTTSWSA-N 1 2 169.203 0.887 20 0 ACADLO FCC[NH2+][C@H]1CCn2ccnc21 306650594 169078994 /nfs/dbraw/zinc/07/89/94/169078994.db2.gz BXPUVVFWHMIPCN-ZETCQYMHSA-N 1 2 169.203 0.887 20 0 ACADLO F[C@H]1CC[N@H+](Cc2cc[nH]n2)C1 336222816 169080918 /nfs/dbraw/zinc/08/09/18/169080918.db2.gz NNZYIYYGBMDSNI-ZETCQYMHSA-N 1 2 169.203 0.954 20 0 ACADLO F[C@H]1CC[N@@H+](Cc2cc[nH]n2)C1 336222816 169080920 /nfs/dbraw/zinc/08/09/20/169080920.db2.gz NNZYIYYGBMDSNI-ZETCQYMHSA-N 1 2 169.203 0.954 20 0 ACADLO NC(=[NH2+])c1nc(F)ccc1F 71186681 169141403 /nfs/dbraw/zinc/14/14/03/169141403.db2.gz QIVBWYLSSNCQHO-UHFFFAOYSA-N 1 2 157.123 0.644 20 0 ACADLO NC(=O)[C@H]1CCC[N@@H+]1Cc1cc[nH]n1 335935496 169143467 /nfs/dbraw/zinc/14/34/67/169143467.db2.gz FNKXPCLHGAIXNR-MRVPVSSYSA-N 1 2 194.238 0.909 20 0 ACADLO NC(=O)[C@H]1CCC[N@H+]1Cc1cc[nH]n1 335935496 169143469 /nfs/dbraw/zinc/14/34/69/169143469.db2.gz FNKXPCLHGAIXNR-MRVPVSSYSA-N 1 2 194.238 0.909 20 0 ACADLO NC(=O)[C@@H]1CCC[N@@H+]1Cc1cc[nH]n1 335935497 169143706 /nfs/dbraw/zinc/14/37/06/169143706.db2.gz FNKXPCLHGAIXNR-QMMMGPOBSA-N 1 2 194.238 0.909 20 0 ACADLO NC(=O)[C@@H]1CCC[N@H+]1Cc1cc[nH]n1 335935497 169143707 /nfs/dbraw/zinc/14/37/07/169143707.db2.gz FNKXPCLHGAIXNR-QMMMGPOBSA-N 1 2 194.238 0.909 20 0 ACADLO NC(=O)C[N@@H+]1CCc2ccsc2C1 307581249 169151019 /nfs/dbraw/zinc/15/10/19/169151019.db2.gz CDJKPJJHOLJNJH-UHFFFAOYSA-N 1 2 196.275 0.592 20 0 ACADLO NC(=O)C[N@H+]1CCc2ccsc2C1 307581249 169151020 /nfs/dbraw/zinc/15/10/20/169151020.db2.gz CDJKPJJHOLJNJH-UHFFFAOYSA-N 1 2 196.275 0.592 20 0 ACADLO NC(=O)C[N@@H+]1CCOCC12CCCC2 306592886 169151475 /nfs/dbraw/zinc/15/14/75/169151475.db2.gz DBAWCKJKWJLEHN-UHFFFAOYSA-N 1 2 198.266 0.117 20 0 ACADLO NC(=O)C[N@H+]1CCOCC12CCCC2 306592886 169151476 /nfs/dbraw/zinc/15/14/76/169151476.db2.gz DBAWCKJKWJLEHN-UHFFFAOYSA-N 1 2 198.266 0.117 20 0 ACADLO NC(=O)C[N@@H+]1CCc2sccc2C1 32879813 169151539 /nfs/dbraw/zinc/15/15/39/169151539.db2.gz WWQKZKUXQKRYIX-UHFFFAOYSA-N 1 2 196.275 0.592 20 0 ACADLO NC(=O)C[N@H+]1CCc2sccc2C1 32879813 169151541 /nfs/dbraw/zinc/15/15/41/169151541.db2.gz WWQKZKUXQKRYIX-UHFFFAOYSA-N 1 2 196.275 0.592 20 0 ACADLO NC(=O)NCc1cn2ccccc2[nH+]1 334318216 169158673 /nfs/dbraw/zinc/15/86/73/169158673.db2.gz RRSPVPLLPPQFCS-UHFFFAOYSA-N 1 2 190.206 0.503 20 0 ACADLO NC(=O)c1ccc2c(N)cc[nH+]c2c1 95835428 169165198 /nfs/dbraw/zinc/16/51/98/169165198.db2.gz DRNOUAUANPKLON-UHFFFAOYSA-N 1 2 187.202 0.916 20 0 ACADLO [NH3+]CCc1n[nH]c(C2CCC2)n1 77262106 169198963 /nfs/dbraw/zinc/19/89/63/169198963.db2.gz AQQILQUZCNWCTO-UHFFFAOYSA-N 1 2 166.228 0.573 20 0 ACADLO N[C@@H](Cc1c[nH]c[nH+]1)C(F)(F)F 39133047 169248147 /nfs/dbraw/zinc/24/81/47/169248147.db2.gz BDTVUJQDDFCPQO-YFKPBYRVSA-N 1 2 179.145 0.842 20 0 ACADLO N[C@@H](Cc1c[nH+]c[nH]1)C(F)(F)F 39133047 169248149 /nfs/dbraw/zinc/24/81/49/169248149.db2.gz BDTVUJQDDFCPQO-YFKPBYRVSA-N 1 2 179.145 0.842 20 0 ACADLO Nc1c(F)c[nH+]cc1CO 95929802 169282714 /nfs/dbraw/zinc/28/27/14/169282714.db2.gz UHCYIZMHUDCLQR-UHFFFAOYSA-N 1 2 142.133 0.295 20 0 ACADLO Nc1cc(Cl)c(N)c[nH+]1 95761020 169285584 /nfs/dbraw/zinc/28/55/84/169285584.db2.gz IXBAKMAPGBYNOF-UHFFFAOYSA-N 1 2 143.577 0.899 20 0 in-vitro ACADLO Nc1cc(C[NH+]2CCOCC2)ccn1 52709764 169285608 /nfs/dbraw/zinc/28/56/08/169285608.db2.gz XMZRPERCZWMFIG-UHFFFAOYSA-N 1 2 193.250 0.496 20 0 ACADLO Nc1ccc(OCCO)c[nH+]1 19870515 169293251 /nfs/dbraw/zinc/29/32/51/169293251.db2.gz QKDJDXCTCSBXEL-UHFFFAOYSA-N 1 2 154.169 0.035 20 0 ACADLO Nc1cccc(-n2cc[nH+]c2)n1 72192469 169295353 /nfs/dbraw/zinc/29/53/53/169295353.db2.gz PHACTKOEQFYCPA-UHFFFAOYSA-N 1 2 160.180 0.850 20 0 ACADLO Nc1cc[nH+]c2c1OCO2 39050041 169300235 /nfs/dbraw/zinc/30/02/35/169300235.db2.gz LEMUWLMKDXWKKR-UHFFFAOYSA-N 1 2 138.126 0.393 20 0 ACADLO Nc1cc[nH+]c(O[C@@H]2CCOC2)c1 82459084 169300449 /nfs/dbraw/zinc/30/04/49/169300449.db2.gz SFSJSIGDGXHLEC-MRVPVSSYSA-N 1 2 180.207 0.832 20 0 in-vitro ACADLO Nc1cc[nH+]c(O[C@H]2CCOC2)c1 82459085 169301172 /nfs/dbraw/zinc/30/11/72/169301172.db2.gz SFSJSIGDGXHLEC-QMMMGPOBSA-N 1 2 180.207 0.832 20 0 in-vitro ACADLO Nc1[nH+]cc(C=O)c2cc[nH]c12 89212994 169307502 /nfs/dbraw/zinc/30/75/02/169307502.db2.gz VBGWRBNIBRSFOO-UHFFFAOYSA-N 1 2 161.164 0.958 20 0 ACADLO Nc1[nH+]cccc1OCCO 20483648 169309900 /nfs/dbraw/zinc/30/99/00/169309900.db2.gz GDPWTWCREHMFLB-UHFFFAOYSA-N 1 2 154.169 0.035 20 0 ACADLO O=C(CC1CC1)Nc1cc[nH+]cc1O 336588362 169316814 /nfs/dbraw/zinc/31/68/14/169316814.db2.gz BAAXUKCSOXXEDW-UHFFFAOYSA-N 1 2 192.218 0.948 20 0 ACADLO O=C(CCn1cc[nH+]c1)N1CC(F)C1 336399640 169319638 /nfs/dbraw/zinc/31/96/38/169319638.db2.gz ZXIKOSYRHFNGNA-UHFFFAOYSA-N 1 2 197.213 0.454 20 0 ACADLO O=C(CCn1cc[nH+]c1)N1CCCC1 334185680 169319687 /nfs/dbraw/zinc/31/96/87/169319687.db2.gz CCUJNVLLHFHJIB-UHFFFAOYSA-N 1 2 193.250 0.896 20 0 ACADLO O=C(CNc1cccc[nH+]1)NC1CC1 35137356 169320154 /nfs/dbraw/zinc/32/01/54/169320154.db2.gz NZNPMBXOHVKDSC-UHFFFAOYSA-N 1 2 191.234 0.772 20 0 ACADLO O=C(C[N@H+]1CC[C@H](F)C1)NC1CC1 334819183 169320679 /nfs/dbraw/zinc/32/06/79/169320679.db2.gz SATOMYPEINCVER-ZETCQYMHSA-N 1 2 186.230 0.309 20 0 ACADLO O=C(C[N@@H+]1CC[C@H](F)C1)NC1CC1 334819183 169320681 /nfs/dbraw/zinc/32/06/81/169320681.db2.gz SATOMYPEINCVER-ZETCQYMHSA-N 1 2 186.230 0.309 20 0 ACADLO O=C(C[N@H+]1CC[C@@H](F)C1)NC1CC1 334819171 169321031 /nfs/dbraw/zinc/32/10/31/169321031.db2.gz SATOMYPEINCVER-SSDOTTSWSA-N 1 2 186.230 0.309 20 0 ACADLO O=C(C[N@@H+]1CC[C@@H](F)C1)NC1CC1 334819171 169321033 /nfs/dbraw/zinc/32/10/33/169321033.db2.gz SATOMYPEINCVER-SSDOTTSWSA-N 1 2 186.230 0.309 20 0 ACADLO O=C(Cn1cc[nH+]c1)N1CCCC1 41391529 169324713 /nfs/dbraw/zinc/32/47/13/169324713.db2.gz PDQIGPSLOJUAGA-UHFFFAOYSA-N 1 2 179.223 0.506 20 0 ACADLO O=C(Cn1cc[nH+]c1)NC1CC1 41391535 169324957 /nfs/dbraw/zinc/32/49/57/169324957.db2.gz AVWJLQDGEASBQJ-UHFFFAOYSA-N 1 2 165.196 0.162 20 0 ACADLO O=C(Cn1cc[nH+]c1)N1CCCCC1 41391531 169325336 /nfs/dbraw/zinc/32/53/36/169325336.db2.gz RCPKWGFJRFZPRU-UHFFFAOYSA-N 1 2 193.250 0.896 20 0 ACADLO O=C(NCCn1cc[nH+]c1)N1CCC1 336318312 169328593 /nfs/dbraw/zinc/32/85/93/169328593.db2.gz ZWLNNFDBGOQXSD-UHFFFAOYSA-N 1 2 194.238 0.298 20 0 ACADLO O=C(NCc1c[nH+]c[nH]1)c1cc[nH]c1 336080979 169330118 /nfs/dbraw/zinc/33/01/18/169330118.db2.gz UOEOOJISLWJIOA-UHFFFAOYSA-N 1 2 190.206 0.668 20 0 ACADLO O=C(NCc1c[nH]c[nH+]1)c1cc[nH]c1 336080979 169330119 /nfs/dbraw/zinc/33/01/19/169330119.db2.gz UOEOOJISLWJIOA-UHFFFAOYSA-N 1 2 190.206 0.668 20 0 ACADLO O=C(NCc1[nH]cc[nH+]1)c1cc[nH]c1 335977543 169330246 /nfs/dbraw/zinc/33/02/46/169330246.db2.gz DEUMNDFZAFZQRP-UHFFFAOYSA-N 1 2 190.206 0.668 20 0 ACADLO O=C(NCc1[nH]cc[nH+]1)c1cnc[nH]1 335999008 169330528 /nfs/dbraw/zinc/33/05/28/169330528.db2.gz GVABZMUELGHXOI-UHFFFAOYSA-N 1 2 191.194 0.063 20 0 ACADLO O=C(NCc1c[nH+]c[nH]1)c1cnc[nH]1 335519041 169330575 /nfs/dbraw/zinc/33/05/75/169330575.db2.gz ULEWSNILAGTKPG-UHFFFAOYSA-N 1 2 191.194 0.063 20 0 ACADLO O=C(Nc1cc[nH]n1)[C@H]1CSC[NH2+]1 42414772 169332178 /nfs/dbraw/zinc/33/21/78/169332178.db2.gz UQOQXXZSAAKGIK-RXMQYKEDSA-N 1 2 198.251 0.011 20 0 ACADLO O=C(Nc1cc[nH]n1)[C@@H]1CSC[NH2+]1 42414771 169332232 /nfs/dbraw/zinc/33/22/32/169332232.db2.gz UQOQXXZSAAKGIK-YFKPBYRVSA-N 1 2 198.251 0.011 20 0 ACADLO O=C(Nc1cn[nH]c1)[C@@H]1CSC[NH2+]1 35764254 169332967 /nfs/dbraw/zinc/33/29/67/169332967.db2.gz IQJFUIBYCMJXBB-LURJTMIESA-N 1 2 198.251 0.011 20 0 ACADLO O=C(Nc1cn[nH]c1)[C@H]1CSC[NH2+]1 35764255 169333592 /nfs/dbraw/zinc/33/35/92/169333592.db2.gz IQJFUIBYCMJXBB-ZCFIWIBFSA-N 1 2 198.251 0.011 20 0 ACADLO O=C([O-])c1cn(C2CC[NH2+]CC2)c[nH+]1 76636423 169359677 /nfs/dbraw/zinc/35/96/77/169359677.db2.gz JYEPBQUZJCLJDG-UHFFFAOYSA-N 1 2 195.222 0.506 20 0 ACADLO O=C1CCNc2c[nH+]ccc2N1 74341196 169375079 /nfs/dbraw/zinc/37/50/79/169375079.db2.gz UYIOCMHUUSPSCO-UHFFFAOYSA-N 1 2 163.180 0.836 20 0 in-vitro ACADLO O=C1CCc2[nH+]c[nH]c2C1 18542196 169376947 /nfs/dbraw/zinc/37/69/47/169376947.db2.gz PEHNFEQTSRMNER-UHFFFAOYSA-N 1 2 136.154 0.468 20 0 ACADLO O=C1CCc2[nH]c[nH+]c2C1 18542196 169376948 /nfs/dbraw/zinc/37/69/48/169376948.db2.gz PEHNFEQTSRMNER-UHFFFAOYSA-N 1 2 136.154 0.468 20 0 ACADLO O=C1C[NH2+]Cc2cccnc2N1 104461206 169378735 /nfs/dbraw/zinc/37/87/35/169378735.db2.gz UAVFWIAZDNNOCV-UHFFFAOYSA-N 1 2 163.180 0.123 20 0 in-vitro ACADLO O=C1C[C@@H](Nc2cccc[nH+]2)CN1 225827112 169380294 /nfs/dbraw/zinc/38/02/94/169380294.db2.gz UHSWUAUXDBLHIJ-SSDOTTSWSA-N 1 2 177.207 0.382 20 0 ACADLO O=C1C[C@@H](CNc2cccc[nH+]2)CN1 82889678 169380320 /nfs/dbraw/zinc/38/03/20/169380320.db2.gz CLBSUBDWBMCLMH-QMMMGPOBSA-N 1 2 191.234 0.630 20 0 ACADLO O=C1C[C@H](Nc2cccc[nH+]2)CN1 225827130 169382536 /nfs/dbraw/zinc/38/25/36/169382536.db2.gz UHSWUAUXDBLHIJ-ZETCQYMHSA-N 1 2 177.207 0.382 20 0 ACADLO O=C1C[C@H](CNc2cccc[nH+]2)CN1 82889679 169382611 /nfs/dbraw/zinc/38/26/11/169382611.db2.gz CLBSUBDWBMCLMH-MRVPVSSYSA-N 1 2 191.234 0.630 20 0 ACADLO OC[C@]1(F)CCN(c2cccc[nH+]2)C1 334470245 169437425 /nfs/dbraw/zinc/43/74/25/169437425.db2.gz FLSUUNXRKSLSSY-JTQLQIEISA-N 1 2 196.225 0.992 20 0 ACADLO c1cn(CC2OCCO2)c[nH+]1 34742329 169481405 /nfs/dbraw/zinc/48/14/05/169481405.db2.gz JETOISLWBISEAK-UHFFFAOYSA-N 1 2 154.169 0.256 20 0 ACADLO CC[N@@H+](C)Cc1nc(C)no1 141806281 344008412 /nfs/dbraw/zinc/00/84/12/344008412.db2.gz MXIMLSFDYBGUOM-UHFFFAOYSA-N 1 2 155.201 0.830 20 0 ACADLO c1cncc(C[NH2+]Cc2nnc[nH]2)c1 37919151 171040682 /nfs/dbraw/zinc/04/06/82/171040682.db2.gz XLETVOKKYSNHDB-UHFFFAOYSA-N 1 2 189.222 0.490 20 0 ACADLO c1cnc(NCCn2cc[nH+]c2)nc1 41041673 171082453 /nfs/dbraw/zinc/08/24/53/171082453.db2.gz NDCXAHBXQXBGMC-UHFFFAOYSA-N 1 2 189.222 0.785 20 0 ACADLO c1cnc(NCCn2cc[nH+]c2)cn1 41041675 171082688 /nfs/dbraw/zinc/08/26/88/171082688.db2.gz NJHMJXZMLAAWBD-UHFFFAOYSA-N 1 2 189.222 0.785 20 0 ACADLO NC(=O)c1ccnc(-n2cc[nH+]c2)c1 70162779 171106066 /nfs/dbraw/zinc/10/60/66/171106066.db2.gz LYNNIWUJXVKMFE-UHFFFAOYSA-N 1 2 188.190 0.366 20 0 ACADLO Cc1cc[nH+]c(N)c1C=O 69942075 171106191 /nfs/dbraw/zinc/10/61/91/171106191.db2.gz UAHAEYDWLQDCJB-UHFFFAOYSA-N 1 2 136.154 0.785 20 0 ACADLO NC(=O)c1ccn2cc[nH+]c2c1 89157397 171133119 /nfs/dbraw/zinc/13/31/19/171133119.db2.gz ZQLZNGUJOGWVCB-UHFFFAOYSA-N 1 2 161.164 0.433 20 0 ACADLO NC(=O)c1cc2c[nH+]ccc2[nH]1 95093342 171135895 /nfs/dbraw/zinc/13/58/95/171135895.db2.gz SNKVEHPJTUSJBI-UHFFFAOYSA-N 1 2 161.164 0.662 20 0 ACADLO NC(=O)c1c[nH+]cc(Cl)c1N 95929789 171140466 /nfs/dbraw/zinc/14/04/66/171140466.db2.gz UKRPHBBAWXICII-UHFFFAOYSA-N 1 2 171.587 0.416 20 0 ACADLO CCCCOC(=O)C[N@H+](C)CCO 49633672 171154438 /nfs/dbraw/zinc/15/44/38/171154438.db2.gz QLVCRLQBYUZJPV-UHFFFAOYSA-N 1 2 189.255 0.254 20 0 ACADLO CCCCOC(=O)C[N@@H+](C)CCO 49633672 171154439 /nfs/dbraw/zinc/15/44/39/171154439.db2.gz QLVCRLQBYUZJPV-UHFFFAOYSA-N 1 2 189.255 0.254 20 0 ACADLO c1cc(CNCc2[nH]cc[nH+]2)n[nH]1 49715674 171154484 /nfs/dbraw/zinc/15/44/84/171154484.db2.gz BMHYQPRLKKYEPC-UHFFFAOYSA-N 1 2 177.211 0.423 20 0 ACADLO CC(=O)CCC(=O)N1CC[NH+](C)CC1 49811893 171154688 /nfs/dbraw/zinc/15/46/88/171154688.db2.gz UIXKNRBYKPMGNW-UHFFFAOYSA-N 1 2 198.266 0.130 20 0 ACADLO c1cc(C[N@@H+]2CCCOCC2)n[nH]1 306185362 171156532 /nfs/dbraw/zinc/15/65/32/171156532.db2.gz RGGDQFMOWMWCAD-UHFFFAOYSA-N 1 2 181.239 0.632 20 0 ACADLO c1cc(C[N@H+]2CCCOCC2)n[nH]1 306185362 171156534 /nfs/dbraw/zinc/15/65/34/171156534.db2.gz RGGDQFMOWMWCAD-UHFFFAOYSA-N 1 2 181.239 0.632 20 0 ACADLO O=S1CC[NH+](CCCF)CC1 306401343 171157990 /nfs/dbraw/zinc/15/79/90/171157990.db2.gz OHINWQVHUHYXDW-UHFFFAOYSA-N 1 2 179.260 0.410 20 0 ACADLO c1c[nH]c(C[N@@H+]2CCCOCC2)n1 306508670 171158544 /nfs/dbraw/zinc/15/85/44/171158544.db2.gz ILXIWCBSZNNYIQ-UHFFFAOYSA-N 1 2 181.239 0.632 20 0 ACADLO c1c[nH]c(C[N@H+]2CCCOCC2)n1 306508670 171158546 /nfs/dbraw/zinc/15/85/46/171158546.db2.gz ILXIWCBSZNNYIQ-UHFFFAOYSA-N 1 2 181.239 0.632 20 0 ACADLO c1cc(C[N@@H+]2CCCOCC2)no1 306644876 171158941 /nfs/dbraw/zinc/15/89/41/171158941.db2.gz BAUWSYLJEYTYPF-UHFFFAOYSA-N 1 2 182.223 0.897 20 0 ACADLO c1cc(C[N@H+]2CCCOCC2)no1 306644876 171158943 /nfs/dbraw/zinc/15/89/43/171158943.db2.gz BAUWSYLJEYTYPF-UHFFFAOYSA-N 1 2 182.223 0.897 20 0 ACADLO CC(C)OC(=O)C[N@H+](C)C[C@H](C)O 51821739 171161066 /nfs/dbraw/zinc/16/10/66/171161066.db2.gz ISKLLAUUAQQHBN-QMMMGPOBSA-N 1 2 189.255 0.251 20 0 ACADLO CC(C)OC(=O)C[N@@H+](C)C[C@H](C)O 51821739 171161068 /nfs/dbraw/zinc/16/10/68/171161068.db2.gz ISKLLAUUAQQHBN-QMMMGPOBSA-N 1 2 189.255 0.251 20 0 ACADLO CC(C)OC(=O)C[N@H+](C)C[C@@H](C)O 51821738 171161119 /nfs/dbraw/zinc/16/11/19/171161119.db2.gz ISKLLAUUAQQHBN-MRVPVSSYSA-N 1 2 189.255 0.251 20 0 ACADLO CC(C)OC(=O)C[N@@H+](C)C[C@@H](C)O 51821738 171161122 /nfs/dbraw/zinc/16/11/22/171161122.db2.gz ISKLLAUUAQQHBN-MRVPVSSYSA-N 1 2 189.255 0.251 20 0 ACADLO Cn1nccc1C[NH2+]Cc1cc[nH]n1 20349936 171169496 /nfs/dbraw/zinc/16/94/96/171169496.db2.gz UMIREJBGZQTMSK-UHFFFAOYSA-N 1 2 191.238 0.433 20 0 ACADLO OC1(C[NH+]2CC(F)C2)CCCC1 307066710 171178274 /nfs/dbraw/zinc/17/82/74/171178274.db2.gz RVQQYYGJGYMECE-UHFFFAOYSA-N 1 2 173.231 0.945 20 0 ACADLO OC1(C[NH+]2CC(F)C2)CCC1 307284613 171178607 /nfs/dbraw/zinc/17/86/07/171178607.db2.gz JOYILYIVCRBKON-UHFFFAOYSA-N 1 2 159.204 0.555 20 0 ACADLO CCN1C(=O)C(C)(C)[NH2+][C@H]1C1CC1 335161157 171183097 /nfs/dbraw/zinc/18/30/97/171183097.db2.gz ASWCOBYRELQXOC-MRVPVSSYSA-N 1 2 182.267 0.953 20 0 ACADLO [NH3+]CC(F)(F)c1[nH]nc2c1CCC2 238856335 171186697 /nfs/dbraw/zinc/18/66/97/171186697.db2.gz VQDRARPQSWQSGE-UHFFFAOYSA-N 1 2 187.193 0.949 20 0 ACADLO Cn1nccc1Cn1cc[nH+]c1 307293165 171191553 /nfs/dbraw/zinc/19/15/53/171191553.db2.gz OPMFDDMWIGCQBI-UHFFFAOYSA-N 1 2 162.196 0.665 20 0 ACADLO Cn1nccc1CCn1cc[nH+]c1 230900298 171197723 /nfs/dbraw/zinc/19/77/23/171197723.db2.gz RSOVUASYFHNTSY-UHFFFAOYSA-N 1 2 176.223 0.859 20 0 ACADLO CCN1C(=O)C(C)(C)[NH2+][C@@H]1C1CC1 335161158 171201615 /nfs/dbraw/zinc/20/16/15/171201615.db2.gz ASWCOBYRELQXOC-QMMMGPOBSA-N 1 2 182.267 0.953 20 0 ACADLO CO[C@@H](C)C[NH+]1CCS(=O)CC1 335600268 171203648 /nfs/dbraw/zinc/20/36/48/171203648.db2.gz RCCKAINNXLOJNP-QMMMGPOBSA-N 1 2 191.296 0.086 20 0 ACADLO Cc1c[nH+]ccc1NC(=O)NCCF 336148267 171208913 /nfs/dbraw/zinc/20/89/13/171208913.db2.gz VGAARBGJXSXXTA-UHFFFAOYSA-N 1 2 197.213 0.903 20 0 ACADLO Cn1nccc1C[N@@H+]1CC[C@H](F)C1 336222705 171209265 /nfs/dbraw/zinc/20/92/65/171209265.db2.gz CRKVNDIMHISMLI-QMMMGPOBSA-N 1 2 183.230 0.964 20 0 ACADLO Cn1nccc1C[N@H+]1CC[C@H](F)C1 336222705 171209267 /nfs/dbraw/zinc/20/92/67/171209267.db2.gz CRKVNDIMHISMLI-QMMMGPOBSA-N 1 2 183.230 0.964 20 0 ACADLO Cn1nccc1C[N@@H+]1CC[C@@H](F)C1 336222704 171209862 /nfs/dbraw/zinc/20/98/62/171209862.db2.gz CRKVNDIMHISMLI-MRVPVSSYSA-N 1 2 183.230 0.964 20 0 ACADLO Cn1nccc1C[N@H+]1CC[C@@H](F)C1 336222704 171209864 /nfs/dbraw/zinc/20/98/64/171209864.db2.gz CRKVNDIMHISMLI-MRVPVSSYSA-N 1 2 183.230 0.964 20 0 ACADLO F[C@@H]1CC[N@H+](Cc2cc[nH]n2)C1 336222815 171209871 /nfs/dbraw/zinc/20/98/71/171209871.db2.gz NNZYIYYGBMDSNI-SSDOTTSWSA-N 1 2 169.203 0.954 20 0 ACADLO F[C@@H]1CC[N@@H+](Cc2cc[nH]n2)C1 336222815 171209872 /nfs/dbraw/zinc/20/98/72/171209872.db2.gz NNZYIYYGBMDSNI-SSDOTTSWSA-N 1 2 169.203 0.954 20 0 ACADLO c1cc(C[NH+]2CC3(CCOC3)C2)n[nH]1 336242247 171209931 /nfs/dbraw/zinc/20/99/31/171209931.db2.gz XZUDTSJMVMCACX-UHFFFAOYSA-N 1 2 193.250 0.632 20 0 ACADLO c1c[nH+]c(CN2CCSCC2)[nH]1 307422513 171216071 /nfs/dbraw/zinc/21/60/71/171216071.db2.gz MYXIILNKWAQQEG-UHFFFAOYSA-N 1 2 183.280 0.959 20 0 ACADLO c1c[nH]c(C[NH+]2CCSCC2)n1 307422513 171216074 /nfs/dbraw/zinc/21/60/74/171216074.db2.gz MYXIILNKWAQQEG-UHFFFAOYSA-N 1 2 183.280 0.959 20 0 ACADLO CN1CCN(c2cccc[nH+]2)CC1=O 149612900 344068604 /nfs/dbraw/zinc/06/86/04/344068604.db2.gz OAIGVYVPNZVQLK-UHFFFAOYSA-N 1 2 191.234 0.360 20 0 ACADLO C[N@H+](CCO)Cc1ccon1 157252224 344102183 /nfs/dbraw/zinc/10/21/83/344102183.db2.gz VGUBKMDLPDEPQT-UHFFFAOYSA-N 1 2 156.185 0.099 20 0 ACADLO C[N@@H+](CCO)Cc1ccon1 157252224 344102184 /nfs/dbraw/zinc/10/21/84/344102184.db2.gz VGUBKMDLPDEPQT-UHFFFAOYSA-N 1 2 156.185 0.099 20 0 ACADLO Cc1[nH]ncc1C[NH2+][C@]1(C)CCOC1 160188347 344159186 /nfs/dbraw/zinc/15/91/86/344159186.db2.gz PECNTVUIENDAIR-SNVBAGLBSA-N 1 2 195.266 0.987 20 0 ACADLO COC(=O)[C@H](C)[NH2+][C@H](C)[C@H](C)OC 162451843 344208602 /nfs/dbraw/zinc/20/86/02/344208602.db2.gz VHEYXQFWZAXCCC-CSMHCCOUSA-N 1 2 189.255 0.561 20 0 ACADLO Nc1cc(N2CC=CCC2)[nH+]cn1 165115866 344258584 /nfs/dbraw/zinc/25/85/84/344258584.db2.gz UQOCMBGDTZUERC-UHFFFAOYSA-N 1 2 176.223 0.825 20 0 ACADLO COC(=O)[C@H]1[NH2+]CC[C@@H]1C(F)(F)F 215521445 344389711 /nfs/dbraw/zinc/38/97/11/344389711.db2.gz OFICJXJNWQDYSM-WHFBIAKZSA-N 1 2 197.156 0.700 20 0 ACADLO COC(=O)C[N@H+]1CC=CCC1 218455440 344412952 /nfs/dbraw/zinc/41/29/52/344412952.db2.gz UEDNYMQSOMODCR-UHFFFAOYSA-N 1 2 155.197 0.421 20 0 ACADLO COC(=O)C[N@@H+]1CC=CCC1 218455440 344412953 /nfs/dbraw/zinc/41/29/53/344412953.db2.gz UEDNYMQSOMODCR-UHFFFAOYSA-N 1 2 155.197 0.421 20 0 ACADLO CC[C@H]([NH2+]C[C@H](C)OC)C(=O)OC 223883167 344464192 /nfs/dbraw/zinc/46/41/92/344464192.db2.gz KTICAPZOIZBXFG-YUMQZZPRSA-N 1 2 189.255 0.563 20 0 ACADLO COC(=O)[C@@H](C)[NH2+][C@H]1CCO[C@@H]1C 226445758 344503464 /nfs/dbraw/zinc/50/34/64/344503464.db2.gz VKWKBESVECTCCN-PRJMDXOYSA-N 1 2 187.239 0.315 20 0 ACADLO C[C@@H]1CC[N@H+](CC(F)F)[C@@H]1CO 227191421 344524703 /nfs/dbraw/zinc/52/47/03/344524703.db2.gz MAMKMGNQJMXGTL-RNFRBKRXSA-N 1 2 179.210 0.954 20 0 ACADLO C[C@@H]1CC[N@@H+](CC(F)F)[C@@H]1CO 227191421 344524704 /nfs/dbraw/zinc/52/47/04/344524704.db2.gz MAMKMGNQJMXGTL-RNFRBKRXSA-N 1 2 179.210 0.954 20 0 ACADLO COC(=O)C[NH2+][C@@H](C)[C@@H]1CCOC1 229616552 344607681 /nfs/dbraw/zinc/60/76/81/344607681.db2.gz UAHBRXOKBDDREF-JGVFFNPUSA-N 1 2 187.239 0.174 20 0 ACADLO O[C@]1(CNc2cccc[nH+]2)CCOC1 229625585 344607740 /nfs/dbraw/zinc/60/77/40/344607740.db2.gz NTHOVTLPPXQPHE-JTQLQIEISA-N 1 2 194.234 0.645 20 0 ACADLO COC(=O)C[NH2+][C@H](C)[C@H]1CCOC1 229616578 344607757 /nfs/dbraw/zinc/60/77/57/344607757.db2.gz UAHBRXOKBDDREF-SFYZADRCSA-N 1 2 187.239 0.174 20 0 ACADLO O[C@@]1(CNc2cccc[nH+]2)CCOC1 229625578 344607774 /nfs/dbraw/zinc/60/77/74/344607774.db2.gz NTHOVTLPPXQPHE-SNVBAGLBSA-N 1 2 194.234 0.645 20 0 ACADLO COC(=O)C[NH2+][C@H](C)[C@@H]1CCOC1 229616562 344607815 /nfs/dbraw/zinc/60/78/15/344607815.db2.gz UAHBRXOKBDDREF-HTQZYQBOSA-N 1 2 187.239 0.174 20 0 ACADLO COC(=O)C[N@H+](C)[C@H]1CCCOC1 229888227 344618547 /nfs/dbraw/zinc/61/85/47/344618547.db2.gz UOWKVVVMEBGKFV-QMMMGPOBSA-N 1 2 187.239 0.270 20 0 ACADLO COC(=O)C[N@@H+](C)[C@H]1CCCOC1 229888227 344618549 /nfs/dbraw/zinc/61/85/49/344618549.db2.gz UOWKVVVMEBGKFV-QMMMGPOBSA-N 1 2 187.239 0.270 20 0 ACADLO COC(=O)C[NH2+][C@@H]1CCO[C@H]1C1CC1 234540370 344722664 /nfs/dbraw/zinc/72/26/64/344722664.db2.gz KYLCQGMROPGVSZ-SCZZXKLOSA-N 1 2 199.250 0.317 20 0 ACADLO C[C@@H]1SCC[C@@]12COC(N)=[NH+]2 235362446 344746078 /nfs/dbraw/zinc/74/60/78/344746078.db2.gz MCSRMAWGUQWCEG-CAHLUQPWSA-N 1 2 172.253 0.596 20 0 ACADLO C[C@H]1CN(C(=O)C(F)F)CC[N@H+]1C 235607651 344759272 /nfs/dbraw/zinc/75/92/72/344759272.db2.gz SNFWQWLZHAPZSR-LURJTMIESA-N 1 2 192.209 0.414 20 0 ACADLO O=C(NCc1[nH]cc[nH+]1)C(F)F 236137204 344775271 /nfs/dbraw/zinc/77/52/71/344775271.db2.gz YCWZNQXHQRYKSN-UHFFFAOYSA-N 1 2 175.138 0.291 20 0 ACADLO CCn1cc(C[NH+]2CCOCC2)cn1 306172631 345063861 /nfs/dbraw/zinc/06/38/61/345063861.db2.gz KQNJAGZILUUIDD-UHFFFAOYSA-N 1 2 195.266 0.735 20 0 ACADLO CNC(=O)N1CCn2c[nH+]cc2C1 306235072 345128095 /nfs/dbraw/zinc/12/80/95/345128095.db2.gz MZGNBFWHENECGC-UHFFFAOYSA-N 1 2 180.211 0.038 20 0 ACADLO C[C@H]1C[N@H+](CC2OCCO2)CCO1 306403098 345263385 /nfs/dbraw/zinc/26/33/85/345263385.db2.gz RNEFMDBETBEVRZ-QMMMGPOBSA-N 1 2 187.239 0.080 20 0 ACADLO C[N@@H+](Cc1ccon1)C1CC(O)C1 306501587 345376005 /nfs/dbraw/zinc/37/60/05/345376005.db2.gz RMDUCRJCKHBWNK-UHFFFAOYSA-N 1 2 182.223 0.630 20 0 ACADLO c1ccc(NCCn2cncn2)[nH+]c1 306551592 345426990 /nfs/dbraw/zinc/42/69/90/345426990.db2.gz FWEOBNIBYZJTSI-UHFFFAOYSA-N 1 2 189.222 0.785 20 0 ACADLO Cc1nc(N2C[C@H](C)[C@@H](O)C2)cc[nH+]1 306629696 345500246 /nfs/dbraw/zinc/50/02/46/345500246.db2.gz 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/nfs/dbraw/zinc/91/97/45/345919745.db2.gz ZOMZPDJGOKAWFM-BDAKNGLRSA-N 1 2 171.240 0.685 20 0 ACADLO Nc1cc(C=O)c2[nH]c[nH+]c2c1 307272916 345939799 /nfs/dbraw/zinc/93/97/99/345939799.db2.gz VBANSFQWSDHDKS-UHFFFAOYSA-N 1 2 161.164 0.958 20 0 ACADLO C[C@H]1CC[N@H+](Cc2cn[nH]n2)C1 307301669 345956634 /nfs/dbraw/zinc/95/66/34/345956634.db2.gz XWWJQCNEJYKRPM-ZETCQYMHSA-N 1 2 166.228 0.647 20 0 ACADLO C[C@H]1CC[N@@H+](Cc2cn[nH]n2)C1 307301669 345956635 /nfs/dbraw/zinc/95/66/35/345956635.db2.gz XWWJQCNEJYKRPM-ZETCQYMHSA-N 1 2 166.228 0.647 20 0 ACADLO Cn1c[nH+]c(CNc2cnn(C)c2)c1 307594228 346135253 /nfs/dbraw/zinc/13/52/53/346135253.db2.gz IJCVYKIRFAYJON-UHFFFAOYSA-N 1 2 191.238 0.766 20 0 ACADLO C[C@@H]1OCC[C@@]1(C)[NH2+][C@@H]1CCOC1=O 307666813 346172888 /nfs/dbraw/zinc/17/28/88/346172888.db2.gz NKQYZIMYZIDZQC-QXFUBDJGSA-N 1 2 199.250 0.459 20 0 ACADLO CC[C@H](C(N)=O)[N@@H+]1CCC=C(F)C1 307751231 346220132 /nfs/dbraw/zinc/22/01/32/346220132.db2.gz NFSZLPPKEDOWMZ-MRVPVSSYSA-N 1 2 186.230 0.809 20 0 ACADLO CC(C)OC(=O)[C@@H](C)[N@H+](C)CCO 308145903 346261497 /nfs/dbraw/zinc/26/14/97/346261497.db2.gz LOJBEJIIDSBGCP-MRVPVSSYSA-N 1 2 189.255 0.251 20 0 ACADLO CC(C)OC(=O)[C@@H](C)[N@@H+](C)CCO 308145903 346261499 /nfs/dbraw/zinc/26/14/99/346261499.db2.gz LOJBEJIIDSBGCP-MRVPVSSYSA-N 1 2 189.255 0.251 20 0 ACADLO CC[N@@H+](Cc1nnnn1C)C1CC1 308170335 346266118 /nfs/dbraw/zinc/26/61/18/346266118.db2.gz BBVGABXXIWDVOQ-UHFFFAOYSA-N 1 2 181.243 0.194 20 0 ACADLO CCC[C@@](C)([NH2+]CCO)C(=O)OC 308396137 346297489 /nfs/dbraw/zinc/29/74/89/346297489.db2.gz DFQZQJZLZBRLAQ-SECBINFHSA-N 1 2 189.255 0.300 20 0 ACADLO CCOC[C@H](C(=O)OC)[N@@H+](C)CC 308301381 346284420 /nfs/dbraw/zinc/28/44/20/346284420.db2.gz KRWVRBVQBTVIFS-MRVPVSSYSA-N 1 2 189.255 0.516 20 0 ACADLO C[C@](O)(C[NH2+]Cc1ccn[nH]1)C1CC1 308595056 346314452 /nfs/dbraw/zinc/31/44/52/346314452.db2.gz YGYAVWKHFRJTIO-JTQLQIEISA-N 1 2 195.266 0.660 20 0 ACADLO Cc1[nH]ncc1C[N@@H+]1CCC[C@H](O)C1 334802291 346365734 /nfs/dbraw/zinc/36/57/34/346365734.db2.gz DTJOAWQBWOVTGJ-JTQLQIEISA-N 1 2 195.266 0.675 20 0 ACADLO CC1(C(=O)NCc2c[nH]c[nH+]2)COC1 335342965 346391236 /nfs/dbraw/zinc/39/12/36/346391236.db2.gz PVMGNGAJVHYMRO-UHFFFAOYSA-N 1 2 195.222 0.062 20 0 ACADLO Cc1[nH]ncc1C[N@@H+](C)[C@H]1CCOC1 335732882 346417206 /nfs/dbraw/zinc/41/72/06/346417206.db2.gz JLGMXVIRRYUQFD-JTQLQIEISA-N 1 2 195.266 0.939 20 0 ACADLO Cc1cnc(C[N@@H+](C)C2CC(O)C2)o1 335792700 346420317 /nfs/dbraw/zinc/42/03/17/346420317.db2.gz JBGIRBDHSGFEND-UHFFFAOYSA-N 1 2 196.250 0.938 20 0 ACADLO Cc1cnc(C[N@H+](C)C2CC(O)C2)o1 335792700 346420318 /nfs/dbraw/zinc/42/03/18/346420318.db2.gz JBGIRBDHSGFEND-UHFFFAOYSA-N 1 2 196.250 0.938 20 0 ACADLO CNC(=O)C[N@@H+]1CCCC[C@H]1C(N)=O 335797348 346420322 /nfs/dbraw/zinc/42/03/22/346420322.db2.gz LUJDAMBYGRUCIV-ZETCQYMHSA-N 1 2 199.254 0.122 20 0 ACADLO CNC(=O)C[N@H+]1CCCC[C@H]1C(N)=O 335797348 346420323 /nfs/dbraw/zinc/42/03/23/346420323.db2.gz LUJDAMBYGRUCIV-ZETCQYMHSA-N 1 2 199.254 0.122 20 0 ACADLO Cc1n[nH]cc1C[N@@H+]1CCO[C@@H](C)C1 335820654 346421866 /nfs/dbraw/zinc/42/18/66/346421866.db2.gz CSBMPDDZIIGPLQ-QMMMGPOBSA-N 1 2 195.266 0.939 20 0 ACADLO Cc1n[nH]cc1C[N@H+]1CCO[C@@H](C)C1 335820654 346421868 /nfs/dbraw/zinc/42/18/68/346421868.db2.gz CSBMPDDZIIGPLQ-QMMMGPOBSA-N 1 2 195.266 0.939 20 0 ACADLO CC1=CC[N@@H+](Cc2cnn[nH]2)CC1 336194041 346443914 /nfs/dbraw/zinc/44/39/14/346443914.db2.gz OLBKPTNRDKBKBO-UHFFFAOYSA-N 1 2 178.239 0.957 20 0 ACADLO CC[C@H](F)C[N@@H+]1CC(=O)N[C@@H](C)C1 336305092 346453710 /nfs/dbraw/zinc/45/37/10/346453710.db2.gz MDUIXHFIYPMDRV-YUMQZZPRSA-N 1 2 188.246 0.555 20 0 ACADLO C[C@H](c1ccco1)[N@H+](C)CC(N)=O 379382980 346511088 /nfs/dbraw/zinc/51/10/88/346511088.db2.gz JRPRYSPCJVKXOD-SSDOTTSWSA-N 1 2 182.223 0.758 20 0 ACADLO C[C@@H](c1ccco1)[N@H+](C)CC(N)=O 379382981 346511478 /nfs/dbraw/zinc/51/14/78/346511478.db2.gz JRPRYSPCJVKXOD-ZETCQYMHSA-N 1 2 182.223 0.758 20 0 ACADLO C[C@H](O)C[N@@H+](C)Cc1cnns1 393374761 346577707 /nfs/dbraw/zinc/57/77/07/346577707.db2.gz SUTJIULBFUVCCL-LURJTMIESA-N 1 2 187.268 0.351 20 0 ACADLO COC(=O)C[N@@H+](C[C@H](C)O)C1CC1 393548846 346578399 /nfs/dbraw/zinc/57/83/99/346578399.db2.gz RVNNKOHLBDGZBA-ZETCQYMHSA-N 1 2 187.239 0.005 20 0 ACADLO COC(=O)[C@H](C)[NH2+][C@H]1CO[C@H](C)C1 401878959 346621839 /nfs/dbraw/zinc/62/18/39/346621839.db2.gz NIICBECQHMMUHW-GJMOJQLCSA-N 1 2 187.239 0.315 20 0 ACADLO C[C@H](C(N)=O)[N@@H+]1CCC=C(Cl)C1 404407044 346641861 /nfs/dbraw/zinc/64/18/61/346641861.db2.gz XLDLIWXFMZBJFG-ZCFIWIBFSA-N 1 2 188.658 0.689 20 0 ACADLO C[C@H](C(N)=O)[N@H+]1CCC=C(Cl)C1 404407044 346641862 /nfs/dbraw/zinc/64/18/62/346641862.db2.gz XLDLIWXFMZBJFG-ZCFIWIBFSA-N 1 2 188.658 0.689 20 0 ACADLO C[N@@H+]1CCC(=O)C12CCC2 584880099 346747127 /nfs/dbraw/zinc/74/71/27/346747127.db2.gz RJKQEPJZIUSQJI-UHFFFAOYSA-N 1 2 139.198 0.814 20 0 in-vitro ACADLO C[N@H+]1CCC(=O)C12CCC2 584880099 346747128 /nfs/dbraw/zinc/74/71/28/346747128.db2.gz RJKQEPJZIUSQJI-UHFFFAOYSA-N 1 2 139.198 0.814 20 0 in-vitro ACADLO CCC[C@@H](O)C[N@@H+](C)CC(=O)OC 590684689 346786889 /nfs/dbraw/zinc/78/68/89/346786889.db2.gz ZCUKUQWKGYITCX-MRVPVSSYSA-N 1 2 189.255 0.252 20 0 ACADLO COCCC(=O)Nc1cc[nH+]cc1C 593274924 346839000 /nfs/dbraw/zinc/83/90/00/346839000.db2.gz HANYMYAHIVULTJ-UHFFFAOYSA-N 1 2 194.234 0.787 20 0 ACADLO COC[C@@H](C)[N@H+](C)Cc1nc(C)no1 613453637 347060297 /nfs/dbraw/zinc/06/02/97/347060297.db2.gz HDZHQEFQQPNUHT-SSDOTTSWSA-N 1 2 199.254 0.845 20 0 ACADLO COC[C@@H](C)[N@@H+](C)Cc1nc(C)no1 613453637 347060298 /nfs/dbraw/zinc/06/02/98/347060298.db2.gz HDZHQEFQQPNUHT-SSDOTTSWSA-N 1 2 199.254 0.845 20 0 ACADLO NC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 616620489 347126092 /nfs/dbraw/zinc/12/60/92/347126092.db2.gz PQEKZWNXQSWFAK-SSDOTTSWSA-N 1 2 194.238 0.668 20 0 ACADLO NC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 616621486 347127617 /nfs/dbraw/zinc/12/76/17/347127617.db2.gz PQEKZWNXQSWFAK-ZETCQYMHSA-N 1 2 194.238 0.668 20 0 ACADLO C[C@@H](c1cccnc1)[N@H+](C)CC(N)=O 618613322 347191335 /nfs/dbraw/zinc/19/13/35/347191335.db2.gz DBDKOSHOOPGKBH-QMMMGPOBSA-N 1 2 193.250 0.560 20 0 ACADLO CCOC(=O)CN(C)Cc1c[nH+]c[nH]1 619510791 347201461 /nfs/dbraw/zinc/20/14/61/347201461.db2.gz UZZNQFPHNSDFGV-UHFFFAOYSA-N 1 2 197.238 0.405 20 0 ACADLO CCOC(=O)CN(C)Cc1c[nH]c[nH+]1 619510791 347201463 /nfs/dbraw/zinc/20/14/63/347201463.db2.gz UZZNQFPHNSDFGV-UHFFFAOYSA-N 1 2 197.238 0.405 20 0 ACADLO O=C(NCc1c[nH+]c[nH]1)c1ncc[nH]1 622384584 347244897 /nfs/dbraw/zinc/24/48/97/347244897.db2.gz LAUKWZNOGPSFOB-UHFFFAOYSA-N 1 2 191.194 0.063 20 0 ACADLO O=C(NCc1c[nH]c[nH+]1)c1ncc[nH]1 622384584 347244898 /nfs/dbraw/zinc/24/48/98/347244898.db2.gz LAUKWZNOGPSFOB-UHFFFAOYSA-N 1 2 191.194 0.063 20 0 ACADLO C[N@H+](Cc1cnn[nH]1)CC1(C)COC1 625792776 347292472 /nfs/dbraw/zinc/29/24/72/347292472.db2.gz XOJKPJIQJGFKML-UHFFFAOYSA-N 1 2 196.254 0.273 20 0 ACADLO COC[C@H](C)[N@H+](C)Cc1nncn1C 624482190 347278420 /nfs/dbraw/zinc/27/84/20/347278420.db2.gz HXMZGRXFLXWBTJ-QMMMGPOBSA-N 1 2 198.270 0.282 20 0 ACADLO COC[C@H](C)[N@@H+](C)Cc1nncn1C 624482190 347278421 /nfs/dbraw/zinc/27/84/21/347278421.db2.gz HXMZGRXFLXWBTJ-QMMMGPOBSA-N 1 2 198.270 0.282 20 0 ACADLO COCC[N@H+](C)Cc1cnns1 625108554 347283220 /nfs/dbraw/zinc/28/32/20/347283220.db2.gz RXUUYHAUSLJPSU-UHFFFAOYSA-N 1 2 187.268 0.616 20 0 ACADLO CCN(CC(N)=O)Cc1[nH]cc(C)[nH+]1 628250645 347312832 /nfs/dbraw/zinc/31/28/32/347312832.db2.gz YVEKMUBQVCWTIT-UHFFFAOYSA-N 1 2 196.254 0.025 20 0 ACADLO Cc1nc(C[N@@H+]2CC[C@@H](O)C2)[nH]c1C 628129549 347307217 /nfs/dbraw/zinc/30/72/17/347307217.db2.gz IBQYQDHIHAWGTB-SECBINFHSA-N 1 2 195.266 0.593 20 0 ACADLO Cc1nc(C[N@H+]2CC[C@@H](O)C2)[nH]c1C 628129549 347307218 /nfs/dbraw/zinc/30/72/18/347307218.db2.gz IBQYQDHIHAWGTB-SECBINFHSA-N 1 2 195.266 0.593 20 0 ACADLO Cc1[nH]c(CN2CC[C@@H](O)C2)[nH+]c1C 628129549 347307220 /nfs/dbraw/zinc/30/72/20/347307220.db2.gz IBQYQDHIHAWGTB-SECBINFHSA-N 1 2 195.266 0.593 20 0 ACADLO Cc1[nH]c(C(=O)NC2(C)COC2)c[nH+]1 634189273 347408020 /nfs/dbraw/zinc/40/80/20/347408020.db2.gz SQYDJJWESQELQW-UHFFFAOYSA-N 1 2 195.222 0.237 20 0 ACADLO Cc1nc(NC(=O)[C@@H](C)[NH+](C)C)n[nH]1 635511937 347443185 /nfs/dbraw/zinc/44/31/85/347443185.db2.gz PMSSCWOEDVCWAG-RXMQYKEDSA-N 1 2 197.242 0.002 20 0 ACADLO C[C@@H](Cn1cncn1)[NH2+]CC(F)F 639163508 347503046 /nfs/dbraw/zinc/50/30/46/347503046.db2.gz WSVOALZPZUSXKD-LURJTMIESA-N 1 2 190.197 0.521 20 0 ACADLO Cc1[nH]c(CNC2(C)COC2)[nH+]c1C 639381066 347514993 /nfs/dbraw/zinc/51/49/93/347514993.db2.gz OKOGBRXKYAGDHQ-UHFFFAOYSA-N 1 2 195.266 0.905 20 0 ACADLO Cc1nc(C[NH2+]C2(C)COC2)[nH]c1C 639381066 347514994 /nfs/dbraw/zinc/51/49/94/347514994.db2.gz OKOGBRXKYAGDHQ-UHFFFAOYSA-N 1 2 195.266 0.905 20 0 ACADLO O[C@@]12C[C@@H]1C[N@H+](CC(F)F)C2 640477236 347551989 /nfs/dbraw/zinc/55/19/89/347551989.db2.gz RJWPLNKICUPWPE-IYSWYEEDSA-N 1 2 163.167 0.318 20 0 ACADLO O=C1CCC(=O)N1CCn1cc[nH+]c1 642246162 347591575 /nfs/dbraw/zinc/59/15/75/347591575.db2.gz XOBWVJPVQPOVIB-UHFFFAOYSA-N 1 2 193.206 0.032 20 0 ACADLO Cc1noc(C)c1C[N@H+](C)CC(N)=O 642329349 347593342 /nfs/dbraw/zinc/59/33/42/347593342.db2.gz IEEOMJVWQTXEIM-UHFFFAOYSA-N 1 2 197.238 0.209 20 0 ACADLO Cc1noc(C)c1C[N@@H+](C)CC(N)=O 642329349 347593343 /nfs/dbraw/zinc/59/33/43/347593343.db2.gz IEEOMJVWQTXEIM-UHFFFAOYSA-N 1 2 197.238 0.209 20 0 ACADLO OCc1cc[nH+]c(N[C@H]2CCOC2)c1 641458350 347573198 /nfs/dbraw/zinc/57/31/98/347573198.db2.gz WTHZNXCWNXDBEA-VIFPVBQESA-N 1 2 194.234 0.775 20 0 ACADLO Cn1c[nH+]cc1CN1CCOCC1 258038609 351858252 /nfs/dbraw/zinc/85/82/52/351858252.db2.gz FBQCGCLMITYKCD-UHFFFAOYSA-N 1 2 181.239 0.252 20 0 ACADLO COC[C@@]1(C(=O)OC)CCCC[NH2+]1 258070460 351858301 /nfs/dbraw/zinc/85/83/01/351858301.db2.gz UJMDSNOBIJSNEZ-SECBINFHSA-N 1 2 187.239 0.318 20 0 in-vitro ACADLO O[C@H]1CCC[N@H+](Cc2ccon2)C1 306641188 351953027 /nfs/dbraw/zinc/95/30/27/351953027.db2.gz LLCZFBAPSMFABT-VIFPVBQESA-N 1 2 182.223 0.631 20 0 ACADLO O[C@H]1CCC[N@@H+](Cc2ccon2)C1 306641188 351953028 /nfs/dbraw/zinc/95/30/28/351953028.db2.gz LLCZFBAPSMFABT-VIFPVBQESA-N 1 2 182.223 0.631 20 0 ACADLO c1[nH]c(CN2CCOCC2)c[nH+]1 198722616 351779093 /nfs/dbraw/zinc/77/90/93/351779093.db2.gz GCTVUUSLBHRJDM-UHFFFAOYSA-N 1 2 167.212 0.242 20 0 ACADLO c1[nH]cc(CN2CCOCC2)[nH+]1 198722616 351779094 /nfs/dbraw/zinc/77/90/94/351779094.db2.gz GCTVUUSLBHRJDM-UHFFFAOYSA-N 1 2 167.212 0.242 20 0 ACADLO CC(C)=CC[N@@H+]1CC(=O)N[C@@H](C)C1 335406802 352097629 /nfs/dbraw/zinc/09/76/29/352097629.db2.gz OYLJOFNKQUTFML-VIFPVBQESA-N 1 2 182.267 0.773 20 0 ACADLO Nc1cc(N2CC[C@@H](F)C2)[nH+]cn1 575518307 352501430 /nfs/dbraw/zinc/50/14/30/352501430.db2.gz UKIGATJITOZULC-ZCFIWIBFSA-N 1 2 182.202 0.607 20 0 ACADLO Cc1noc([C@H](C)[N@@H+](C)C[C@@H](C)O)n1 643412574 352950868 /nfs/dbraw/zinc/95/08/68/352950868.db2.gz LVOSDSWWGOLFMG-RQJHMYQMSA-N 1 2 199.254 0.752 20 0 ACADLO Cc1noc([C@H](C)[N@H+](C)C[C@@H](C)O)n1 643412574 352950869 /nfs/dbraw/zinc/95/08/69/352950869.db2.gz LVOSDSWWGOLFMG-RQJHMYQMSA-N 1 2 199.254 0.752 20 0 ACADLO CC[N@@H+](CC(N)=O)Cc1ccco1 47878863 409366084 /nfs/dbraw/zinc/36/60/84/409366084.db2.gz BSCSYKQSNTURFW-UHFFFAOYSA-N 1 2 182.223 0.587 20 0 ACADLO CC[C@H](O)C[N@H+](C)Cc1nc(C)no1 653888698 409382139 /nfs/dbraw/zinc/38/21/39/409382139.db2.gz XHNVHZGSVJXSOI-QMMMGPOBSA-N 1 2 199.254 0.581 20 0 ACADLO COC(=O)C[N@H+]1CCSC[C@H]1C 69761140 409411389 /nfs/dbraw/zinc/41/13/89/409411389.db2.gz VMJGLOYDKRTVQC-SSDOTTSWSA-N 1 2 189.280 0.597 20 0 ACADLO CC[C@H](O)C[N@@H+](C)Cc1cn(C)nn1 661744521 409660322 /nfs/dbraw/zinc/66/03/22/409660322.db2.gz VNBPWJNKXOKBEY-VIFPVBQESA-N 1 2 198.270 0.018 20 0 ACADLO CC(C)c1cc(=O)n2c(n1)C[NH2+]CC2 107356956 325619974 /nfs/dbraw/zinc/61/99/74/325619974.db2.gz MAWRJSLQMXHTIY-UHFFFAOYSA-N 1 2 193.250 0.470 20 0 ACADLO C[C@@H]1C[NH2+][C@@H](c2cccnc2)C(=O)N1 108301417 325620426 /nfs/dbraw/zinc/62/04/26/325620426.db2.gz KZHVLJSTSVBNHR-APPZFPTMSA-N 1 2 191.234 0.231 20 0 ACADLO C[C@@H]1C[NH2+][C@@H](c2cccs2)C(=O)N1 108306404 325620503 /nfs/dbraw/zinc/62/05/03/325620503.db2.gz ABVAHAYDCFVVBG-SVRRBLITSA-N 1 2 196.275 0.897 20 0 ACADLO C[C@@H]1C[NH2+][C@H](c2ccncc2)C(=O)N1 108301393 325620590 /nfs/dbraw/zinc/62/05/90/325620590.db2.gz JZFOJAXIEWCVIN-VXNVDRBHSA-N 1 2 191.234 0.231 20 0 ACADLO C[C@@H]1C[NH2+][C@H](c2cccs2)C(=O)N1 108306401 325620594 /nfs/dbraw/zinc/62/05/94/325620594.db2.gz ABVAHAYDCFVVBG-HTRCEHHLSA-N 1 2 196.275 0.897 20 0 ACADLO COc1ccc[nH+]c1N1CC(O)C1 160309138 325625100 /nfs/dbraw/zinc/62/51/00/325625100.db2.gz ITTILQWYIKFWOW-UHFFFAOYSA-N 1 2 180.207 0.271 20 0 ACADLO COc1ccc[nH+]c1NC[C@H](C)O 160204757 325625192 /nfs/dbraw/zinc/62/51/92/325625192.db2.gz ZSJZCSDXKLQNSH-ZETCQYMHSA-N 1 2 182.223 0.883 20 0 ACADLO COc1ccc[nH+]c1NC[C@@H](C)O 160204881 325625370 /nfs/dbraw/zinc/62/53/70/325625370.db2.gz ZSJZCSDXKLQNSH-SSDOTTSWSA-N 1 2 182.223 0.883 20 0 ACADLO CC(C)(C)OC(=O)C1([NH3+])COC1 253181811 325636470 /nfs/dbraw/zinc/63/64/70/325636470.db2.gz HINMFKGGHGZFKQ-UHFFFAOYSA-N 1 2 173.212 0.056 20 0 ACADLO COc1cccc2[nH+]cc(CO)n12 257829478 325637353 /nfs/dbraw/zinc/63/73/53/325637353.db2.gz IXNZQKKJAUXVHI-UHFFFAOYSA-N 1 2 178.191 0.835 20 0 ACADLO COC(=O)[C@H]1[NH2+]CC12CCC2 521401187 325645400 /nfs/dbraw/zinc/64/54/00/325645400.db2.gz VBIWQAICRUVMCB-ZCFIWIBFSA-N 1 2 155.197 0.302 20 0 ACADLO C[C@H]([NH2+]CC(N)=O)c1ncccc1F 528824300 325660564 /nfs/dbraw/zinc/66/05/64/325660564.db2.gz KNCLHBOFDWGGBP-LURJTMIESA-N 1 2 197.213 0.357 20 0 ACADLO CCCc1cc(=O)n2c(n1)C[NH2+]CC2 536950418 325667883 /nfs/dbraw/zinc/66/78/83/325667883.db2.gz HOOAVLYATWUDKB-UHFFFAOYSA-N 1 2 193.250 0.299 20 0 ACADLO CCN(CC)c1n[nH]c(C[NH+](C)C)n1 536956823 325671350 /nfs/dbraw/zinc/67/13/50/325671350.db2.gz AZVNJTQBQNCLFZ-UHFFFAOYSA-N 1 2 197.286 0.713 20 0 ACADLO CC[NH+](CC)Cc1nc(N(C)C)n[nH]1 536959390 325673295 /nfs/dbraw/zinc/67/32/95/325673295.db2.gz IWFYRWOKFIELHB-UHFFFAOYSA-N 1 2 197.286 0.713 20 0 ACADLO CN(C)c1n[nH]c(C[NH+]2CCCC2)n1 536959349 325673392 /nfs/dbraw/zinc/67/33/92/325673392.db2.gz INQUDXYXLJXSTF-UHFFFAOYSA-N 1 2 195.270 0.467 20 0 ACADLO COc1cc(C)nc(-n2cc[nH+]c2)n1 9771 342924030 /nfs/dbraw/zinc/92/40/30/342924030.db2.gz AONCLSDFPYXELL-UHFFFAOYSA-N 1 2 190.206 0.979 20 0 ACADLO C[C@H](O)CNc1cccc[nH+]1 2509478 342973065 /nfs/dbraw/zinc/97/30/65/342973065.db2.gz VJRVWEKZGGTVCI-ZETCQYMHSA-N 1 2 152.197 0.874 20 0 ACADLO CCOC(=O)C[N@H+]1CC=CCC1 4489215 342992031 /nfs/dbraw/zinc/99/20/31/342992031.db2.gz KHMGCQCHTMTOPR-UHFFFAOYSA-N 1 2 169.224 0.811 20 0 ACADLO CCOC(=O)C[N@@H+]1CC=CCC1 4489215 342992033 /nfs/dbraw/zinc/99/20/33/342992033.db2.gz KHMGCQCHTMTOPR-UHFFFAOYSA-N 1 2 169.224 0.811 20 0 ACADLO CN(C)C(=O)NCCCn1cc[nH+]c1 6187387 343013312 /nfs/dbraw/zinc/01/33/12/343013312.db2.gz DKLYSWOJCAVXDT-UHFFFAOYSA-N 1 2 196.254 0.544 20 0 ACADLO Cc1cc(NCCCO)nc[nH+]1 11768579 343024473 /nfs/dbraw/zinc/02/44/73/343024473.db2.gz VLQBAVJKVIFNSR-UHFFFAOYSA-N 1 2 167.212 0.579 20 0 ACADLO Cc1cc(=O)c2ccc(N)[nH+]c2[nH]1 13579584 343036730 /nfs/dbraw/zinc/03/67/30/343036730.db2.gz FPRARRWNHBXCFA-UHFFFAOYSA-N 1 2 175.191 0.814 20 0 ACADLO C[NH+](C)CC(=O)Nc1nncs1 14218184 343038821 /nfs/dbraw/zinc/03/88/21/343038821.db2.gz IKARDRMMJVVBCB-UHFFFAOYSA-N 1 2 186.240 0.038 20 0 ACADLO CN1CC[NH+](Cc2ccccn2)CC1 22884429 343082848 /nfs/dbraw/zinc/08/28/48/343082848.db2.gz OQTGVUOABUAUIJ-UHFFFAOYSA-N 1 2 191.278 0.829 20 0 ACADLO O=C[C@@H]1CCn2cc[nH+]c21 24334652 343085895 /nfs/dbraw/zinc/08/58/95/343085895.db2.gz YXYKQJNZVOWALQ-LURJTMIESA-N 1 2 136.154 0.569 20 0 ACADLO O=C[C@H]1CCn2cc[nH+]c21 24334658 343086100 /nfs/dbraw/zinc/08/61/00/343086100.db2.gz YXYKQJNZVOWALQ-ZCFIWIBFSA-N 1 2 136.154 0.569 20 0 ACADLO Cc1cc(C)nc(C(N)=[NH2+])n1 34111874 343110914 /nfs/dbraw/zinc/11/09/14/343110914.db2.gz JZCWJTIWTYXUDG-UHFFFAOYSA-N 1 2 150.185 0.378 20 0 ACADLO COC(=O)/C=C/c1cn(C)c[nH+]1 34194646 343113204 /nfs/dbraw/zinc/11/32/04/343113204.db2.gz ZJFGWCZJLLTFSC-ONEGZZNKSA-N 1 2 166.180 0.606 20 0 ACADLO COCC[NH2+][C@H](C(=O)OC)C(C)C 35346641 343132148 /nfs/dbraw/zinc/13/21/48/343132148.db2.gz YRURBTHILDPWPE-QMMMGPOBSA-N 1 2 189.255 0.420 20 0 ACADLO COCC[NH2+][C@@H](C(=O)OC)C(C)C 35346642 343132190 /nfs/dbraw/zinc/13/21/90/343132190.db2.gz YRURBTHILDPWPE-MRVPVSSYSA-N 1 2 189.255 0.420 20 0 ACADLO C[C@H](CO)Nc1cccc[nH+]1 35606889 343134504 /nfs/dbraw/zinc/13/45/04/343134504.db2.gz UPGLJGFNYDBLCH-SSDOTTSWSA-N 1 2 152.197 0.874 20 0 ACADLO CCCN1CC[NH+](CCO)CC1 35649804 343135606 /nfs/dbraw/zinc/13/56/06/343135606.db2.gz JJVDPWJWBAAPGG-UHFFFAOYSA-N 1 2 172.272 0.006 20 0 ACADLO C[NH+](C)Cc1nnc(N)s1 36239363 343142288 /nfs/dbraw/zinc/14/22/88/343142288.db2.gz BHWOPHQJYBJSFP-UHFFFAOYSA-N 1 2 158.230 0.182 20 0 ACADLO Cc1nc([C@@H]([NH3+])c2cccnc2)no1 36762481 343149358 /nfs/dbraw/zinc/14/93/58/343149358.db2.gz OGLNEFQSWCGRII-QMMMGPOBSA-N 1 2 190.206 0.821 20 0 ACADLO Cc1nc([C@H]([NH3+])c2cccnc2)no1 36762479 343149591 /nfs/dbraw/zinc/14/95/91/343149591.db2.gz OGLNEFQSWCGRII-MRVPVSSYSA-N 1 2 190.206 0.821 20 0 ACADLO COC[C@H](C)[NH2+]Cc1ccn[nH]1 36899983 343153128 /nfs/dbraw/zinc/15/31/28/343153128.db2.gz HUMFQTMJKFZNLN-ZETCQYMHSA-N 1 2 169.228 0.534 20 0 ACADLO CC[C@H](CO)[NH2+]Cc1ccn[nH]1 36900254 343153158 /nfs/dbraw/zinc/15/31/58/343153158.db2.gz GMYYQAVLUXMYMC-SSDOTTSWSA-N 1 2 169.228 0.270 20 0 ACADLO CC[C@@H](CO)[NH2+]Cc1ccn[nH]1 36900253 343153190 /nfs/dbraw/zinc/15/31/90/343153190.db2.gz GMYYQAVLUXMYMC-ZETCQYMHSA-N 1 2 169.228 0.270 20 0 ACADLO CCNC(=O)[C@H](C)[NH2+]Cc1cc[nH]n1 36900381 343153212 /nfs/dbraw/zinc/15/32/12/343153212.db2.gz WFYVCQSDKALTAR-ZETCQYMHSA-N 1 2 196.254 0.024 20 0 ACADLO CCOCC[NH2+]Cc1ccn[nH]1 36900383 343153222 /nfs/dbraw/zinc/15/32/22/343153222.db2.gz VDZVXTSLPXQSRQ-UHFFFAOYSA-N 1 2 169.228 0.536 20 0 ACADLO CC(C)NC(=O)C[NH2+]Cc1cc[nH]n1 36900373 343153228 /nfs/dbraw/zinc/15/32/28/343153228.db2.gz APZIIJMJSZMWIN-UHFFFAOYSA-N 1 2 196.254 0.024 20 0 ACADLO CCCNC(=O)C[NH2+]Cc1cc[nH]n1 36900372 343153238 /nfs/dbraw/zinc/15/32/38/343153238.db2.gz QOOJDEIBMKQBKF-UHFFFAOYSA-N 1 2 196.254 0.026 20 0 ACADLO COCC[NH2+]Cc1ccn[nH]1 36899946 343153346 /nfs/dbraw/zinc/15/33/46/343153346.db2.gz UEEKIFKBDGYIRZ-UHFFFAOYSA-N 1 2 155.201 0.146 20 0 ACADLO COC[C@@H](C)[NH2+]Cc1ccn[nH]1 36899984 343153434 /nfs/dbraw/zinc/15/34/34/343153434.db2.gz HUMFQTMJKFZNLN-SSDOTTSWSA-N 1 2 169.228 0.534 20 0 ACADLO Cc1[nH]ncc1C[NH2+]C1CC1 36901384 343153608 /nfs/dbraw/zinc/15/36/08/343153608.db2.gz USNWUMUWXPPWTK-UHFFFAOYSA-N 1 2 151.213 0.970 20 0 ACADLO Cc1[nH]ncc1C[NH2+]CCCO 36901668 343153826 /nfs/dbraw/zinc/15/38/26/343153826.db2.gz AKWRQYXXIUHCRZ-UHFFFAOYSA-N 1 2 169.228 0.190 20 0 ACADLO Cc1[nH]ncc1C[NH2+]C[C@@H](C)O 36901749 343153917 /nfs/dbraw/zinc/15/39/17/343153917.db2.gz DTQQJCBVNAEHDU-ZCFIWIBFSA-N 1 2 169.228 0.189 20 0 ACADLO CC[C@@H](CO)[NH2+]Cc1cn[nH]c1C 36901677 343153949 /nfs/dbraw/zinc/15/39/49/343153949.db2.gz SERSORGRZCIAOG-VIFPVBQESA-N 1 2 183.255 0.579 20 0 ACADLO Cc1[nH]ncc1C[NH2+]C[C@H](C)O 36901750 343153958 /nfs/dbraw/zinc/15/39/58/343153958.db2.gz DTQQJCBVNAEHDU-LURJTMIESA-N 1 2 169.228 0.189 20 0 ACADLO CC[C@H](CO)[NH2+]Cc1cn[nH]c1C 36901678 343154056 /nfs/dbraw/zinc/15/40/56/343154056.db2.gz SERSORGRZCIAOG-SECBINFHSA-N 1 2 183.255 0.579 20 0 ACADLO CCOC(=O)C[N@H+](C)C1CC1 37081344 343158392 /nfs/dbraw/zinc/15/83/92/343158392.db2.gz WRUJHTGXFQLAJY-UHFFFAOYSA-N 1 2 157.213 0.644 20 0 ACADLO CCOC(=O)C[N@@H+](C)C1CC1 37081344 343158394 /nfs/dbraw/zinc/15/83/94/343158394.db2.gz WRUJHTGXFQLAJY-UHFFFAOYSA-N 1 2 157.213 0.644 20 0 ACADLO COC(=O)CCCn1cc[nH+]c1 37287044 343165179 /nfs/dbraw/zinc/16/51/79/343165179.db2.gz DEVMPPKHDFHGEN-UHFFFAOYSA-N 1 2 168.196 0.836 20 0 ACADLO CC[C@@H]1COCC[N@@H+]1CC(C)=O 37340063 343165747 /nfs/dbraw/zinc/16/57/47/343165747.db2.gz VEAWFWKEDHDCML-SECBINFHSA-N 1 2 171.240 0.686 20 0 ACADLO CC[C@@H]1COCC[N@H+]1CC(C)=O 37340063 343165748 /nfs/dbraw/zinc/16/57/48/343165748.db2.gz VEAWFWKEDHDCML-SECBINFHSA-N 1 2 171.240 0.686 20 0 ACADLO CC[C@H]1COCC[N@@H+]1CC(C)=O 37340064 343165982 /nfs/dbraw/zinc/16/59/82/343165982.db2.gz VEAWFWKEDHDCML-VIFPVBQESA-N 1 2 171.240 0.686 20 0 ACADLO CC[C@H]1COCC[N@H+]1CC(C)=O 37340064 343165983 /nfs/dbraw/zinc/16/59/83/343165983.db2.gz VEAWFWKEDHDCML-VIFPVBQESA-N 1 2 171.240 0.686 20 0 ACADLO CCC[C@H]([NH2+]C)C(=O)OCC 37458915 343168796 /nfs/dbraw/zinc/16/87/96/343168796.db2.gz WZFFTVUDLJSSGC-ZETCQYMHSA-N 1 2 159.229 0.938 20 0 ACADLO CCC[C@@H]([NH2+]C)C(=O)OCC 37458916 343168882 /nfs/dbraw/zinc/16/88/82/343168882.db2.gz WZFFTVUDLJSSGC-SSDOTTSWSA-N 1 2 159.229 0.938 20 0 ACADLO COC(=O)[C@H]([NH2+]C[C@@H](C)O)C(C)C 37687896 343174184 /nfs/dbraw/zinc/17/41/84/343174184.db2.gz ZATKVVJFUYBHOZ-HTQZYQBOSA-N 1 2 189.255 0.154 20 0 ACADLO COC(=O)[C@H]([NH2+]C[C@H](C)O)C(C)C 37687898 343174224 /nfs/dbraw/zinc/17/42/24/343174224.db2.gz ZATKVVJFUYBHOZ-JGVFFNPUSA-N 1 2 189.255 0.154 20 0 ACADLO COC(=O)[C@@H]([NH2+]C[C@@H](C)O)C(C)C 37687895 343174290 /nfs/dbraw/zinc/17/42/90/343174290.db2.gz ZATKVVJFUYBHOZ-SFYZADRCSA-N 1 2 189.255 0.154 20 0 ACADLO COC(=O)[C@@H]([NH2+]C[C@H](C)O)C(C)C 37687897 343174310 /nfs/dbraw/zinc/17/43/10/343174310.db2.gz ZATKVVJFUYBHOZ-YUMQZZPRSA-N 1 2 189.255 0.154 20 0 ACADLO CC[C@@H](O)Cn1cc[nH+]c1 37694410 343175661 /nfs/dbraw/zinc/17/56/61/343175661.db2.gz GSSWPMYSEDCKMF-SSDOTTSWSA-N 1 2 140.186 0.654 20 0 ACADLO CC[C@H](O)Cn1cc[nH+]c1 37694409 343175673 /nfs/dbraw/zinc/17/56/73/343175673.db2.gz GSSWPMYSEDCKMF-ZETCQYMHSA-N 1 2 140.186 0.654 20 0 ACADLO CC(C)[NH2+]Cc1ncn[nH]1 37919368 343181578 /nfs/dbraw/zinc/18/15/78/343181578.db2.gz KMSUJMJJQIOOEN-UHFFFAOYSA-N 1 2 140.190 0.303 20 0 ACADLO Cc1cnc(NN)[nH+]c1 39053332 343194386 /nfs/dbraw/zinc/19/43/86/343194386.db2.gz NKHHWFFXJFZUTB-UHFFFAOYSA-N 1 2 124.147 0.071 20 0 in-vitro ACADLO C[C@@]12CC[N@H+](CC1=O)C2 39094781 343198030 /nfs/dbraw/zinc/19/80/30/343198030.db2.gz CHEIGWVMTKPOCC-ZETCQYMHSA-N 1 2 125.171 0.281 20 0 ACADLO C[C@@]12CC[N@@H+](CC1=O)C2 39094781 343198032 /nfs/dbraw/zinc/19/80/32/343198032.db2.gz 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/nfs/dbraw/zinc/22/20/78/343222078.db2.gz WGNAZCDSPONLCV-ZCFIWIBFSA-N 1 2 180.211 0.071 20 0 ACADLO Cc1cc(NC[C@H](C)O)nc[nH+]1 40727161 343222089 /nfs/dbraw/zinc/22/20/89/343222089.db2.gz FBLHHEGQUSTUHC-ZETCQYMHSA-N 1 2 167.212 0.578 20 0 ACADLO CC[C@H](CO)Nc1cc(C)[nH+]cn1 40727151 343222105 /nfs/dbraw/zinc/22/21/05/343222105.db2.gz WUWSFJNCQGUTAW-MRVPVSSYSA-N 1 2 181.239 0.968 20 0 ACADLO Cc1cc(N(C)CCO)nc[nH+]1 40727696 343222163 /nfs/dbraw/zinc/22/21/63/343222163.db2.gz VIGPEZVWGCMTFC-UHFFFAOYSA-N 1 2 167.212 0.214 20 0 ACADLO C[N@H+](CC(N)=O)Cc1ccco1 41392473 343234459 /nfs/dbraw/zinc/23/44/59/343234459.db2.gz FRCVJGZRGBBQLS-UHFFFAOYSA-N 1 2 168.196 0.197 20 0 ACADLO C[N@@H+](CC(N)=O)Cc1ccco1 41392473 343234461 /nfs/dbraw/zinc/23/44/61/343234461.db2.gz FRCVJGZRGBBQLS-UHFFFAOYSA-N 1 2 168.196 0.197 20 0 ACADLO CC(C)NC(=O)Cn1cc[nH+]c1 41391545 343234481 /nfs/dbraw/zinc/23/44/81/343234481.db2.gz VBAQEWPDZVYACJ-UHFFFAOYSA-N 1 2 167.212 0.408 20 0 ACADLO CNC(=O)C[N@H+](C)Cc1ccco1 41392451 343234488 /nfs/dbraw/zinc/23/44/88/343234488.db2.gz BZPWYKHNHUBXBT-UHFFFAOYSA-N 1 2 182.223 0.457 20 0 ACADLO CNC(=O)C[N@@H+](C)Cc1ccco1 41392451 343234490 /nfs/dbraw/zinc/23/44/90/343234490.db2.gz BZPWYKHNHUBXBT-UHFFFAOYSA-N 1 2 182.223 0.457 20 0 ACADLO Cc1cnc(C[N@H+](C)CCO)o1 41392300 343234499 /nfs/dbraw/zinc/23/44/99/343234499.db2.gz KGLNOPNJXDZBGT-UHFFFAOYSA-N 1 2 170.212 0.407 20 0 ACADLO Cc1cnc(C[N@@H+](C)CCO)o1 41392300 343234501 /nfs/dbraw/zinc/23/45/01/343234501.db2.gz KGLNOPNJXDZBGT-UHFFFAOYSA-N 1 2 170.212 0.407 20 0 ACADLO Cc1cnc(C[NH+]2CCC(O)CC2)o1 41366978 343234517 /nfs/dbraw/zinc/23/45/17/343234517.db2.gz PKMIVYIPCBAYAG-UHFFFAOYSA-N 1 2 196.250 0.940 20 0 ACADLO CN(C)C(=O)C[N@H+](C)Cc1ccco1 41392453 343234549 /nfs/dbraw/zinc/23/45/49/343234549.db2.gz SIDKGHPEWYVQLY-UHFFFAOYSA-N 1 2 196.250 0.800 20 0 ACADLO CN(C)C(=O)C[N@@H+](C)Cc1ccco1 41392453 343234551 /nfs/dbraw/zinc/23/45/51/343234551.db2.gz SIDKGHPEWYVQLY-UHFFFAOYSA-N 1 2 196.250 0.800 20 0 ACADLO C[C@H](C(N)=O)[N@H+](C)Cc1ccco1 41392477 343234598 /nfs/dbraw/zinc/23/45/98/343234598.db2.gz RKLJIZGZWVMFHJ-SSDOTTSWSA-N 1 2 182.223 0.585 20 0 ACADLO C[C@H](C(N)=O)[N@@H+](C)Cc1ccco1 41392477 343234600 /nfs/dbraw/zinc/23/46/00/343234600.db2.gz RKLJIZGZWVMFHJ-SSDOTTSWSA-N 1 2 182.223 0.585 20 0 ACADLO CCNC(=O)C[N@H+](C)Cc1ccco1 41392465 343234622 /nfs/dbraw/zinc/23/46/22/343234622.db2.gz GOPPNNLFJNYJIV-UHFFFAOYSA-N 1 2 196.250 0.848 20 0 ACADLO CCNC(=O)C[N@@H+](C)Cc1ccco1 41392465 343234624 /nfs/dbraw/zinc/23/46/24/343234624.db2.gz GOPPNNLFJNYJIV-UHFFFAOYSA-N 1 2 196.250 0.848 20 0 ACADLO C[N@H+](CC(N)=O)Cc1cccs1 41392619 343235142 /nfs/dbraw/zinc/23/51/42/343235142.db2.gz RHGGSQIPSBSLSB-UHFFFAOYSA-N 1 2 184.264 0.665 20 0 ACADLO C[N@@H+](CC(N)=O)Cc1cccs1 41392619 343235144 /nfs/dbraw/zinc/23/51/44/343235144.db2.gz RHGGSQIPSBSLSB-UHFFFAOYSA-N 1 2 184.264 0.665 20 0 ACADLO C[N@H+](CC(N)=O)Cc1ccoc1 42278511 343239521 /nfs/dbraw/zinc/23/95/21/343239521.db2.gz ZVCJPMKETGJFJI-UHFFFAOYSA-N 1 2 168.196 0.197 20 0 ACADLO C[N@@H+](CC(N)=O)Cc1ccoc1 42278511 343239523 /nfs/dbraw/zinc/23/95/23/343239523.db2.gz ZVCJPMKETGJFJI-UHFFFAOYSA-N 1 2 168.196 0.197 20 0 ACADLO COC[C@H](C)[NH2+][C@H](C)C(=O)OC 43626010 343256938 /nfs/dbraw/zinc/25/69/38/343256938.db2.gz FSSMLHSEXHLXET-NKWVEPMBSA-N 1 2 175.228 0.172 20 0 ACADLO COCC[N@H+](CC(=O)OC)C1CC1 42296087 343240125 /nfs/dbraw/zinc/24/01/25/343240125.db2.gz YVYYXKBKKKLSFP-UHFFFAOYSA-N 1 2 187.239 0.270 20 0 ACADLO COCC[N@@H+](CC(=O)OC)C1CC1 42296087 343240127 /nfs/dbraw/zinc/24/01/27/343240127.db2.gz YVYYXKBKKKLSFP-UHFFFAOYSA-N 1 2 187.239 0.270 20 0 ACADLO CCOC(=O)C[N@H+](C)[C@H](C)COC 42338082 343240542 /nfs/dbraw/zinc/24/05/42/343240542.db2.gz LSGGLSUIQJXWGI-MRVPVSSYSA-N 1 2 189.255 0.516 20 0 ACADLO CCOC(=O)C[N@@H+](C)[C@H](C)COC 42338082 343240544 /nfs/dbraw/zinc/24/05/44/343240544.db2.gz LSGGLSUIQJXWGI-MRVPVSSYSA-N 1 2 189.255 0.516 20 0 ACADLO COC[C@H](C)[N@H+](C)CC(=O)OC 42338083 343240651 /nfs/dbraw/zinc/24/06/51/343240651.db2.gz IYOKCPXBAIRQJU-ZETCQYMHSA-N 1 2 175.228 0.126 20 0 ACADLO COC[C@H](C)[N@@H+](C)CC(=O)OC 42338083 343240653 /nfs/dbraw/zinc/24/06/53/343240653.db2.gz IYOKCPXBAIRQJU-ZETCQYMHSA-N 1 2 175.228 0.126 20 0 ACADLO COC[C@@H](C)[N@H+](C)CC(=O)OC 42338084 343240675 /nfs/dbraw/zinc/24/06/75/343240675.db2.gz IYOKCPXBAIRQJU-SSDOTTSWSA-N 1 2 175.228 0.126 20 0 ACADLO COC[C@@H](C)[N@@H+](C)CC(=O)OC 42338084 343240676 /nfs/dbraw/zinc/24/06/76/343240676.db2.gz IYOKCPXBAIRQJU-SSDOTTSWSA-N 1 2 175.228 0.126 20 0 ACADLO CCCN(CCO)c1cc(C)[nH+]cn1 42453391 343243355 /nfs/dbraw/zinc/24/33/55/343243355.db2.gz XWQYYAJPPFWXBJ-UHFFFAOYSA-N 1 2 195.266 0.994 20 0 ACADLO CC[N@H+](CCOC)CC(=O)OC 42493653 343244108 /nfs/dbraw/zinc/24/41/08/343244108.db2.gz OEXCHFLDXUFBNV-UHFFFAOYSA-N 1 2 175.228 0.128 20 0 ACADLO CC[N@@H+](CCOC)CC(=O)OC 42493653 343244111 /nfs/dbraw/zinc/24/41/11/343244111.db2.gz OEXCHFLDXUFBNV-UHFFFAOYSA-N 1 2 175.228 0.128 20 0 ACADLO C[C@H](O)C[N@H+](C)Cc1cscn1 42867489 343250101 /nfs/dbraw/zinc/25/01/01/343250101.db2.gz SRZFDDXPYRHWHB-ZETCQYMHSA-N 1 2 186.280 0.956 20 0 ACADLO C[C@H](O)C[N@@H+](C)Cc1cscn1 42867489 343250104 /nfs/dbraw/zinc/25/01/04/343250104.db2.gz SRZFDDXPYRHWHB-ZETCQYMHSA-N 1 2 186.280 0.956 20 0 ACADLO C[N@H+](CCCO)Cc1cscn1 42867486 343250123 /nfs/dbraw/zinc/25/01/23/343250123.db2.gz DDMDZZPIJPNMRT-UHFFFAOYSA-N 1 2 186.280 0.957 20 0 ACADLO C[N@@H+](CCCO)Cc1cscn1 42867486 343250125 /nfs/dbraw/zinc/25/01/25/343250125.db2.gz DDMDZZPIJPNMRT-UHFFFAOYSA-N 1 2 186.280 0.957 20 0 ACADLO CC(=O)C[N@@H+]1CCO[C@@H]2CCC[C@@H]21 43426327 343252178 /nfs/dbraw/zinc/25/21/78/343252178.db2.gz OBFLBQHAOZRKMH-VHSXEESVSA-N 1 2 183.251 0.829 20 0 ACADLO CC(=O)C[N@H+]1CCO[C@@H]2CCC[C@@H]21 43426327 343252179 /nfs/dbraw/zinc/25/21/79/343252179.db2.gz OBFLBQHAOZRKMH-VHSXEESVSA-N 1 2 183.251 0.829 20 0 ACADLO C[N@H+](CCC(N)=O)Cc1cscn1 43511826 343252888 /nfs/dbraw/zinc/25/28/88/343252888.db2.gz YZEYMTVQZYMASX-UHFFFAOYSA-N 1 2 199.279 0.450 20 0 ACADLO C[N@@H+](CCC(N)=O)Cc1cscn1 43511826 343252890 /nfs/dbraw/zinc/25/28/90/343252890.db2.gz YZEYMTVQZYMASX-UHFFFAOYSA-N 1 2 199.279 0.450 20 0 ACADLO COC[C@H](C)[NH2+][C@@H](C)C(=O)OC 43626005 343256934 /nfs/dbraw/zinc/25/69/34/343256934.db2.gz FSSMLHSEXHLXET-BQBZGAKWSA-N 1 2 175.228 0.172 20 0 ACADLO Cc1cc2c(c[nH+]1)CC(=O)N2 44713122 343268609 /nfs/dbraw/zinc/26/86/09/343268609.db2.gz VPAFZJPLGNWYGP-UHFFFAOYSA-N 1 2 148.165 0.885 20 0 in-vitro ACADLO CNC(=O)CCNc1cc(C)[nH+]cn1 44995851 343270037 /nfs/dbraw/zinc/27/00/37/343270037.db2.gz LNYQOGBUSYEIDR-UHFFFAOYSA-N 1 2 194.238 0.333 20 0 ACADLO CCOC(=O)C[N@@H+](CCO)C1CC1 48065379 343273725 /nfs/dbraw/zinc/27/37/25/343273725.db2.gz HLYBTLLNVAVQGC-UHFFFAOYSA-N 1 2 187.239 0.006 20 0 ACADLO Cc1cc(C[N@@H+]2CCC[C@H](O)C2)no1 48581303 343274508 /nfs/dbraw/zinc/27/45/08/343274508.db2.gz NHSKFQSSUAWRGS-JTQLQIEISA-N 1 2 196.250 0.940 20 0 ACADLO Cc1cc(C[N@H+]2CCC[C@H](O)C2)no1 48581303 343274510 /nfs/dbraw/zinc/27/45/10/343274510.db2.gz NHSKFQSSUAWRGS-JTQLQIEISA-N 1 2 196.250 0.940 20 0 ACADLO Cc1cc(C[N@@H+]2CCC[C@@H](O)C2)no1 48581306 343274692 /nfs/dbraw/zinc/27/46/92/343274692.db2.gz NHSKFQSSUAWRGS-SNVBAGLBSA-N 1 2 196.250 0.940 20 0 ACADLO Cc1cc(C[N@H+]2CCC[C@@H](O)C2)no1 48581306 343274694 /nfs/dbraw/zinc/27/46/94/343274694.db2.gz NHSKFQSSUAWRGS-SNVBAGLBSA-N 1 2 196.250 0.940 20 0 ACADLO C[N@H+](CC(N)=O)Cc1ccsc1 48583472 343274698 /nfs/dbraw/zinc/27/46/98/343274698.db2.gz CPZDONWGMBCCKX-UHFFFAOYSA-N 1 2 184.264 0.665 20 0 ACADLO C[N@@H+](CC(N)=O)Cc1ccsc1 48583472 343274700 /nfs/dbraw/zinc/27/47/00/343274700.db2.gz CPZDONWGMBCCKX-UHFFFAOYSA-N 1 2 184.264 0.665 20 0 ACADLO Cc1nc(C[N@H+]2CCC[C@H]2CO)no1 50113615 343278303 /nfs/dbraw/zinc/27/83/03/343278303.db2.gz DSMHRWLUKSFYHT-QMMMGPOBSA-N 1 2 197.238 0.335 20 0 ACADLO Cc1nc(C[N@@H+]2CCC[C@H]2CO)no1 50113615 343278301 /nfs/dbraw/zinc/27/83/01/343278301.db2.gz DSMHRWLUKSFYHT-QMMMGPOBSA-N 1 2 197.238 0.335 20 0 ACADLO Cn1ccnc1C[N@H+](CCO)C1CC1 50104011 343278386 /nfs/dbraw/zinc/27/83/86/343278386.db2.gz ODPIJPMGZOIBJA-UHFFFAOYSA-N 1 2 195.266 0.377 20 0 ACADLO Cn1ccnc1C[N@@H+](CCO)C1CC1 50104011 343278388 /nfs/dbraw/zinc/27/83/88/343278388.db2.gz ODPIJPMGZOIBJA-UHFFFAOYSA-N 1 2 195.266 0.377 20 0 ACADLO CCC[N@H+](CCO)CC(F)F 50106305 343278411 /nfs/dbraw/zinc/27/84/11/343278411.db2.gz FAVFMICYGDYRQH-UHFFFAOYSA-N 1 2 167.199 0.956 20 0 ACADLO CCC[N@@H+](CCO)CC(F)F 50106305 343278412 /nfs/dbraw/zinc/27/84/12/343278412.db2.gz FAVFMICYGDYRQH-UHFFFAOYSA-N 1 2 167.199 0.956 20 0 ACADLO Cn1cccc1C(=O)C[N@H+](C)CCO 50134644 343278887 /nfs/dbraw/zinc/27/88/87/343278887.db2.gz SKNNATVAZGUHRO-UHFFFAOYSA-N 1 2 196.250 0.132 20 0 ACADLO Cn1cccc1C(=O)C[N@@H+](C)CCO 50134644 343278889 /nfs/dbraw/zinc/27/88/89/343278889.db2.gz SKNNATVAZGUHRO-UHFFFAOYSA-N 1 2 196.250 0.132 20 0 ACADLO C[C@H](O)C[N@H+](C)CC(F)F 51821504 343294101 /nfs/dbraw/zinc/29/41/01/343294101.db2.gz WPVJPUCGXNTPFF-YFKPBYRVSA-N 1 2 153.172 0.564 20 0 ACADLO Cc1cc(N(C)C[C@@H](C)O)nc[nH+]1 51821149 343293816 /nfs/dbraw/zinc/29/38/16/343293816.db2.gz RCMYPUVAJCFDJU-MRVPVSSYSA-N 1 2 181.239 0.602 20 0 ACADLO C[C@H](O)C[N@@H+](C)CC(F)F 51821504 343294103 /nfs/dbraw/zinc/29/41/03/343294103.db2.gz WPVJPUCGXNTPFF-YFKPBYRVSA-N 1 2 153.172 0.564 20 0 ACADLO CCc1cc(N(C)C[C@H](C)O)nc[nH+]1 51821156 343294131 /nfs/dbraw/zinc/29/41/31/343294131.db2.gz OLKMPZDXHFQSDP-QMMMGPOBSA-N 1 2 195.266 0.856 20 0 ACADLO C[C@H](O)C[N@H+](C)Cc1nccn1C 51821512 343294158 /nfs/dbraw/zinc/29/41/58/343294158.db2.gz OXWQZFBGKQPTDM-QMMMGPOBSA-N 1 2 183.255 0.233 20 0 ACADLO C[C@H](O)C[N@@H+](C)Cc1nccn1C 51821512 343294161 /nfs/dbraw/zinc/29/41/61/343294161.db2.gz OXWQZFBGKQPTDM-QMMMGPOBSA-N 1 2 183.255 0.233 20 0 ACADLO Cc1cc(C[N@@H+](C)C[C@H](C)O)no1 51837880 343294401 /nfs/dbraw/zinc/29/44/01/343294401.db2.gz FBVZCPGAGLVUAN-ZETCQYMHSA-N 1 2 184.239 0.796 20 0 ACADLO Cc1cc(C[N@H+](C)C[C@H](C)O)no1 51837880 343294404 /nfs/dbraw/zinc/29/44/04/343294404.db2.gz FBVZCPGAGLVUAN-ZETCQYMHSA-N 1 2 184.239 0.796 20 0 ACADLO Cc1noc(C[N@@H+](C)C[C@@H](C)O)n1 51837896 343294539 /nfs/dbraw/zinc/29/45/39/343294539.db2.gz SQQWGCOPHCCHCV-ZCFIWIBFSA-N 1 2 185.227 0.191 20 0 ACADLO Cc1noc(C[N@H+](C)C[C@@H](C)O)n1 51837896 343294541 /nfs/dbraw/zinc/29/45/41/343294541.db2.gz SQQWGCOPHCCHCV-ZCFIWIBFSA-N 1 2 185.227 0.191 20 0 ACADLO Cc1cc(N2CC[C@@H](CO)C2)nc[nH+]1 51886510 343294835 /nfs/dbraw/zinc/29/48/35/343294835.db2.gz XJZPUIBIMBSIOW-SECBINFHSA-N 1 2 193.250 0.604 20 0 ACADLO Cc1cc(N2CC[C@H](CO)C2)nc[nH+]1 51886509 343295140 /nfs/dbraw/zinc/29/51/40/343295140.db2.gz XJZPUIBIMBSIOW-VIFPVBQESA-N 1 2 193.250 0.604 20 0 ACADLO Cc1[nH+]cn(-c2ncc(N)cn2)c1C 51925468 343296159 /nfs/dbraw/zinc/29/61/59/343296159.db2.gz ALZSRIZWRLNLGS-UHFFFAOYSA-N 1 2 189.222 0.861 20 0 ACADLO Cc1noc(C[N@@H+]2CCC[C@@H](O)C2)n1 52395957 343305987 /nfs/dbraw/zinc/30/59/87/343305987.db2.gz ZPXXAYGWIPTZAT-MRVPVSSYSA-N 1 2 197.238 0.335 20 0 ACADLO Cc1noc(C[N@H+]2CCC[C@@H](O)C2)n1 52395957 343305989 /nfs/dbraw/zinc/30/59/89/343305989.db2.gz ZPXXAYGWIPTZAT-MRVPVSSYSA-N 1 2 197.238 0.335 20 0 ACADLO Cc1noc(C[NH+]2CCC(O)CC2)n1 52396095 343306054 /nfs/dbraw/zinc/30/60/54/343306054.db2.gz UGRYSPQVHSXLFH-UHFFFAOYSA-N 1 2 197.238 0.335 20 0 ACADLO Cc1noc(C[N@@H+]2CCC[C@H](O)C2)n1 52395956 343306150 /nfs/dbraw/zinc/30/61/50/343306150.db2.gz ZPXXAYGWIPTZAT-QMMMGPOBSA-N 1 2 197.238 0.335 20 0 ACADLO Cc1noc(C[N@H+]2CCC[C@H](O)C2)n1 52395956 343306152 /nfs/dbraw/zinc/30/61/52/343306152.db2.gz ZPXXAYGWIPTZAT-QMMMGPOBSA-N 1 2 197.238 0.335 20 0 ACADLO CCn1ccnc1C[N@H+](CC)CCO 52345174 343306230 /nfs/dbraw/zinc/30/62/30/343306230.db2.gz LDCIDZSJJBIGDN-UHFFFAOYSA-N 1 2 197.282 0.717 20 0 ACADLO CCn1ccnc1C[N@@H+](CC)CCO 52345174 343306231 /nfs/dbraw/zinc/30/62/31/343306231.db2.gz LDCIDZSJJBIGDN-UHFFFAOYSA-N 1 2 197.282 0.717 20 0 ACADLO CC[C@](C)([NH2+]CCOC)C(=O)OC 53258278 343313547 /nfs/dbraw/zinc/31/35/47/343313547.db2.gz SFIXISZXCCWEGF-VIFPVBQESA-N 1 2 189.255 0.564 20 0 ACADLO COCC[NH2+][C@H](C(=O)OC)C1CC1 53258584 343313663 /nfs/dbraw/zinc/31/36/63/343313663.db2.gz FFASYEDUHWUDOW-QMMMGPOBSA-N 1 2 187.239 0.174 20 0 ACADLO CC[C@@H]([NH2+]CCOC)C(=O)OC 53258709 343313848 /nfs/dbraw/zinc/31/38/48/343313848.db2.gz NGLREKJQSCYAFH-SSDOTTSWSA-N 1 2 175.228 0.174 20 0 ACADLO CCn1ccnc1C[N@H+](C)C[C@H](C)O 54743904 343328502 /nfs/dbraw/zinc/32/85/02/343328502.db2.gz VBWMIYBHFPHAGW-VIFPVBQESA-N 1 2 197.282 0.716 20 0 ACADLO CCn1ccnc1C[N@@H+](C)C[C@H](C)O 54743904 343328503 /nfs/dbraw/zinc/32/85/03/343328503.db2.gz VBWMIYBHFPHAGW-VIFPVBQESA-N 1 2 197.282 0.716 20 0 ACADLO CCn1ccnc1C[N@H+](C)C[C@@H](C)O 54743903 343328611 /nfs/dbraw/zinc/32/86/11/343328611.db2.gz VBWMIYBHFPHAGW-SECBINFHSA-N 1 2 197.282 0.716 20 0 ACADLO CCn1ccnc1C[N@@H+](C)C[C@@H](C)O 54743903 343328614 /nfs/dbraw/zinc/32/86/14/343328614.db2.gz VBWMIYBHFPHAGW-SECBINFHSA-N 1 2 197.282 0.716 20 0 ACADLO CC[C@@H](CO)Nc1cc[nH+]c(C)n1 54935809 343331714 /nfs/dbraw/zinc/33/17/14/343331714.db2.gz NSKWFCWKGXFHDF-QMMMGPOBSA-N 1 2 181.239 0.968 20 0 ACADLO Cc1nc(NCC(=O)N(C)C)cc[nH+]1 54935790 343331763 /nfs/dbraw/zinc/33/17/63/343331763.db2.gz SEYRBANGJOMYHB-UHFFFAOYSA-N 1 2 194.238 0.285 20 0 ACADLO Cc1nc(NC[C@@H](C)O)cc[nH+]1 54935817 343331789 /nfs/dbraw/zinc/33/17/89/343331789.db2.gz WBZWIBKNWPHYBS-ZCFIWIBFSA-N 1 2 167.212 0.578 20 0 ACADLO Cc1nc(N2CCC(=O)CC2)cc[nH+]1 54935501 343331805 /nfs/dbraw/zinc/33/18/05/343331805.db2.gz GEKOVHSJYIKFME-UHFFFAOYSA-N 1 2 191.234 0.954 20 0 ACADLO Cc1nc(N[C@@H](C)CO)cc[nH+]1 54935821 343331824 /nfs/dbraw/zinc/33/18/24/343331824.db2.gz NJLGVSTXDNRJOJ-LURJTMIESA-N 1 2 167.212 0.578 20 0 ACADLO Cc1nc(NCCO)cc[nH+]1 54935761 343331917 /nfs/dbraw/zinc/33/19/17/343331917.db2.gz KCZICPWYTLFOJX-UHFFFAOYSA-N 1 2 153.185 0.189 20 0 ACADLO Cc1nc(N2CCC[C@@H](O)C2)cc[nH+]1 54937093 343332037 /nfs/dbraw/zinc/33/20/37/343332037.db2.gz RRWYYLXIHLQNRU-SECBINFHSA-N 1 2 193.250 0.746 20 0 ACADLO COC(=O)CCNc1cc[nH+]c(C)n1 54935943 343332042 /nfs/dbraw/zinc/33/20/42/343332042.db2.gz ROFVITIQJPYNMI-UHFFFAOYSA-N 1 2 195.222 0.760 20 0 ACADLO Cc1nc(N[C@H](C)C(N)=O)cc[nH+]1 54935863 343332057 /nfs/dbraw/zinc/33/20/57/343332057.db2.gz UGMHJYGEBUKDBA-RXMQYKEDSA-N 1 2 180.211 0.071 20 0 ACADLO Cc1nc(N2CCC[C@H](O)C2)cc[nH+]1 54937090 343332062 /nfs/dbraw/zinc/33/20/62/343332062.db2.gz RRWYYLXIHLQNRU-VIFPVBQESA-N 1 2 193.250 0.746 20 0 ACADLO Cc1nc(N2CCC[C@H]2CO)cc[nH+]1 54937138 343332113 /nfs/dbraw/zinc/33/21/13/343332113.db2.gz ZZMIMPLGQFHAGZ-VIFPVBQESA-N 1 2 193.250 0.746 20 0 ACADLO CCN(CCO)c1cc[nH+]c(C)n1 54937126 343332125 /nfs/dbraw/zinc/33/21/25/343332125.db2.gz OEZPAMQSRLSEJH-UHFFFAOYSA-N 1 2 181.239 0.604 20 0 ACADLO Cc1nc(N2CC[C@H](CO)C2)cc[nH+]1 54937170 343332189 /nfs/dbraw/zinc/33/21/89/343332189.db2.gz DUIRPSJWKFKCHN-VIFPVBQESA-N 1 2 193.250 0.604 20 0 ACADLO CNC(=O)CCNc1cc[nH+]c(C)n1 54936399 343332227 /nfs/dbraw/zinc/33/22/27/343332227.db2.gz UHXOJAFLVIAHMC-UHFFFAOYSA-N 1 2 194.238 0.333 20 0 ACADLO Cc1nc(N(C)CCO)cc[nH+]1 54937115 343332246 /nfs/dbraw/zinc/33/22/46/343332246.db2.gz NFIHWXITCQAJCO-UHFFFAOYSA-N 1 2 167.212 0.214 20 0 ACADLO Cc1nc(N2CCC[C@@H]2CO)cc[nH+]1 54937135 343332267 /nfs/dbraw/zinc/33/22/67/343332267.db2.gz ZZMIMPLGQFHAGZ-SECBINFHSA-N 1 2 193.250 0.746 20 0 ACADLO Cc1nc(N[C@@H](C)C(N)=O)cc[nH+]1 54935861 343332302 /nfs/dbraw/zinc/33/23/02/343332302.db2.gz UGMHJYGEBUKDBA-YFKPBYRVSA-N 1 2 180.211 0.071 20 0 ACADLO Cc1nc(N2CCC(O)CC2)cc[nH+]1 54937096 343332324 /nfs/dbraw/zinc/33/23/24/343332324.db2.gz KLRCBNSJRGAKAW-UHFFFAOYSA-N 1 2 193.250 0.746 20 0 ACADLO Cc1nc(NCCOCCO)cc[nH+]1 54936564 343332346 /nfs/dbraw/zinc/33/23/46/343332346.db2.gz KIPMIFAYIRLVAL-UHFFFAOYSA-N 1 2 197.238 0.206 20 0 ACADLO CCCN(CCO)c1cc[nH+]c(C)n1 54937141 343332351 /nfs/dbraw/zinc/33/23/51/343332351.db2.gz VEFQYYKYNIEGMJ-UHFFFAOYSA-N 1 2 195.266 0.994 20 0 ACADLO Cc1nc(N(C)C[C@H](C)O)cc[nH+]1 54937168 343332364 /nfs/dbraw/zinc/33/23/64/343332364.db2.gz KLHMRXOMRDPOJA-ZETCQYMHSA-N 1 2 181.239 0.602 20 0 ACADLO Cc1nc(NCc2nc[nH]n2)cc[nH+]1 54935964 343332391 /nfs/dbraw/zinc/33/23/91/343332391.db2.gz FUUUTZJCRWKGCR-UHFFFAOYSA-N 1 2 190.210 0.515 20 0 ACADLO Cc1nc(N2CC[C@@H](CO)C2)cc[nH+]1 54937173 343332397 /nfs/dbraw/zinc/33/23/97/343332397.db2.gz DUIRPSJWKFKCHN-SECBINFHSA-N 1 2 193.250 0.604 20 0 ACADLO Cc1occc1C[N@@H+](C)[C@@H](C)C(N)=O 58610125 343341052 /nfs/dbraw/zinc/34/10/52/343341052.db2.gz VYXILRBYEKNETM-ZETCQYMHSA-N 1 2 196.250 0.894 20 0 ACADLO Cc1occc1C[N@H+](C)[C@@H](C)C(N)=O 58610125 343341054 /nfs/dbraw/zinc/34/10/54/343341054.db2.gz VYXILRBYEKNETM-ZETCQYMHSA-N 1 2 196.250 0.894 20 0 ACADLO CCOC(=O)C[N@@H+]1CCCOCC1 59994864 343349676 /nfs/dbraw/zinc/34/96/76/343349676.db2.gz KCRKOYSYKBAAMK-UHFFFAOYSA-N 1 2 187.239 0.272 20 0 ACADLO CCOC(=O)C[N@H+]1CCCOCC1 59994864 343349679 /nfs/dbraw/zinc/34/96/79/343349679.db2.gz KCRKOYSYKBAAMK-UHFFFAOYSA-N 1 2 187.239 0.272 20 0 ACADLO C[N@@H+]1CC[C@@H](NC(=O)C(F)(F)F)C1 60313299 343353270 /nfs/dbraw/zinc/35/32/70/343353270.db2.gz JZOWBUFHQZYEBV-RXMQYKEDSA-N 1 2 196.172 0.369 20 0 ACADLO C[N@H+]1CC[C@@H](NC(=O)C(F)(F)F)C1 60313299 343353271 /nfs/dbraw/zinc/35/32/71/343353271.db2.gz JZOWBUFHQZYEBV-RXMQYKEDSA-N 1 2 196.172 0.369 20 0 ACADLO CC[NH+]1CCS(=O)CC1 60313651 343353382 /nfs/dbraw/zinc/35/33/82/343353382.db2.gz JISNHLUDSXOIDQ-UHFFFAOYSA-N 1 2 147.243 0.071 20 0 ACADLO C[N@@H+]1CC[C@H](NC(=O)C(F)(F)F)C1 60313298 343353527 /nfs/dbraw/zinc/35/35/27/343353527.db2.gz JZOWBUFHQZYEBV-YFKPBYRVSA-N 1 2 196.172 0.369 20 0 ACADLO C[N@H+]1CC[C@H](NC(=O)C(F)(F)F)C1 60313298 343353529 /nfs/dbraw/zinc/35/35/29/343353529.db2.gz JZOWBUFHQZYEBV-YFKPBYRVSA-N 1 2 196.172 0.369 20 0 ACADLO C[C@H](C(N)=O)[N@H+](C)Cc1ccoc1 61679324 343359699 /nfs/dbraw/zinc/35/96/99/343359699.db2.gz JPTBJRAZRODGQM-SSDOTTSWSA-N 1 2 182.223 0.585 20 0 ACADLO C[C@H](C(N)=O)[N@@H+](C)Cc1ccoc1 61679324 343359701 /nfs/dbraw/zinc/35/97/01/343359701.db2.gz JPTBJRAZRODGQM-SSDOTTSWSA-N 1 2 182.223 0.585 20 0 ACADLO C[C@@H](C(N)=O)[N@H+](C)Cc1ccoc1 61679323 343359727 /nfs/dbraw/zinc/35/97/27/343359727.db2.gz JPTBJRAZRODGQM-ZETCQYMHSA-N 1 2 182.223 0.585 20 0 ACADLO C[C@@H](C(N)=O)[N@@H+](C)Cc1ccoc1 61679323 343359729 /nfs/dbraw/zinc/35/97/29/343359729.db2.gz JPTBJRAZRODGQM-ZETCQYMHSA-N 1 2 182.223 0.585 20 0 ACADLO Cc1cc(N2CC[C@H](O)C2)nc[nH+]1 61707604 343361267 /nfs/dbraw/zinc/36/12/67/343361267.db2.gz LBGQBHGFVOYTNR-QMMMGPOBSA-N 1 2 179.223 0.356 20 0 ACADLO Cc1cc(N2CC[C@@H](O)C2)nc[nH+]1 61707605 343361394 /nfs/dbraw/zinc/36/13/94/343361394.db2.gz LBGQBHGFVOYTNR-MRVPVSSYSA-N 1 2 179.223 0.356 20 0 ACADLO CCc1noc(C[N@@H+]2CC[C@@H](O)C2)n1 61709220 343361570 /nfs/dbraw/zinc/36/15/70/343361570.db2.gz PWCPWDKBOCGWBG-SSDOTTSWSA-N 1 2 197.238 0.199 20 0 ACADLO CCc1noc(C[N@H+]2CC[C@@H](O)C2)n1 61709220 343361573 /nfs/dbraw/zinc/36/15/73/343361573.db2.gz PWCPWDKBOCGWBG-SSDOTTSWSA-N 1 2 197.238 0.199 20 0 ACADLO CCc1noc(C[N@@H+]2CC[C@H](O)C2)n1 61709219 343361793 /nfs/dbraw/zinc/36/17/93/343361793.db2.gz PWCPWDKBOCGWBG-ZETCQYMHSA-N 1 2 197.238 0.199 20 0 ACADLO CCc1noc(C[N@H+]2CC[C@H](O)C2)n1 61709219 343361796 /nfs/dbraw/zinc/36/17/96/343361796.db2.gz PWCPWDKBOCGWBG-ZETCQYMHSA-N 1 2 197.238 0.199 20 0 ACADLO CCc1nnc(C[N@@H+]2CC[C@H](O)C2)o1 61708832 343362048 /nfs/dbraw/zinc/36/20/48/343362048.db2.gz GIFPWSCKVGKUJN-ZETCQYMHSA-N 1 2 197.238 0.199 20 0 ACADLO CCc1nnc(C[N@H+]2CC[C@H](O)C2)o1 61708832 343362050 /nfs/dbraw/zinc/36/20/50/343362050.db2.gz GIFPWSCKVGKUJN-ZETCQYMHSA-N 1 2 197.238 0.199 20 0 ACADLO OCc1cc[nH+]c(N2CC[C@@H](O)C2)c1 61711351 343362238 /nfs/dbraw/zinc/36/22/38/343362238.db2.gz OTIAMUHMAYHPRV-SECBINFHSA-N 1 2 194.234 0.145 20 0 ACADLO OCc1cc[nH+]c(N2CC[C@H](O)C2)c1 61711350 343362483 /nfs/dbraw/zinc/36/24/83/343362483.db2.gz OTIAMUHMAYHPRV-VIFPVBQESA-N 1 2 194.234 0.145 20 0 ACADLO C[C@@H](O)CC[N@H+](C)Cc1nccn1C 62256293 343373263 /nfs/dbraw/zinc/37/32/63/343373263.db2.gz USQVNZSODWJNIE-SECBINFHSA-N 1 2 197.282 0.623 20 0 ACADLO C[C@@H](O)CC[N@@H+](C)Cc1nccn1C 62256293 343373266 /nfs/dbraw/zinc/37/32/66/343373266.db2.gz USQVNZSODWJNIE-SECBINFHSA-N 1 2 197.282 0.623 20 0 ACADLO C[C@H](O)CC[N@H+](C)Cc1nccn1C 62256292 343373356 /nfs/dbraw/zinc/37/33/56/343373356.db2.gz USQVNZSODWJNIE-VIFPVBQESA-N 1 2 197.282 0.623 20 0 ACADLO C[C@H](O)CC[N@@H+](C)Cc1nccn1C 62256292 343373357 /nfs/dbraw/zinc/37/33/57/343373357.db2.gz USQVNZSODWJNIE-VIFPVBQESA-N 1 2 197.282 0.623 20 0 ACADLO [NH3+][C@@H]1CCC[C@@H]1NC(=O)C(F)(F)F 63171881 343404353 /nfs/dbraw/zinc/40/43/53/343404353.db2.gz CAGNLMDUWDCHJC-UHNVWZDZSA-N 1 2 196.172 0.545 20 0 ACADLO [NH3+][C@H]1CCC[C@@H]1NC(=O)C(F)(F)F 63171880 343404362 /nfs/dbraw/zinc/40/43/62/343404362.db2.gz CAGNLMDUWDCHJC-WHFBIAKZSA-N 1 2 196.172 0.545 20 0 ACADLO [NH3+][C@H]1CCC[C@H]1NC(=O)C(F)(F)F 63171878 343404390 /nfs/dbraw/zinc/40/43/90/343404390.db2.gz CAGNLMDUWDCHJC-CRCLSJGQSA-N 1 2 196.172 0.545 20 0 ACADLO [NH3+][C@@H]1CCC[C@H]1NC(=O)C(F)(F)F 63171879 343404475 /nfs/dbraw/zinc/40/44/75/343404475.db2.gz CAGNLMDUWDCHJC-RFZPGFLSSA-N 1 2 196.172 0.545 20 0 ACADLO CCc1noc(Cn2cc[nH+]c2)n1 64542871 343407591 /nfs/dbraw/zinc/40/75/91/343407591.db2.gz XYIJJXMYQLYRPP-UHFFFAOYSA-N 1 2 178.195 0.877 20 0 ACADLO Cc1noc(Cn2cc[nH+]c2)n1 64542870 343407824 /nfs/dbraw/zinc/40/78/24/343407824.db2.gz FPKTVVNWTNBYHI-UHFFFAOYSA-N 1 2 164.168 0.623 20 0 ACADLO CCOC(=O)C[N@H+](C)[C@H]1CCOC1 69624649 343426825 /nfs/dbraw/zinc/42/68/25/343426825.db2.gz UBBHWZISJRAYBX-QMMMGPOBSA-N 1 2 187.239 0.270 20 0 ACADLO CCOC(=O)C[N@@H+](C)[C@H]1CCOC1 69624649 343426827 /nfs/dbraw/zinc/42/68/27/343426827.db2.gz UBBHWZISJRAYBX-QMMMGPOBSA-N 1 2 187.239 0.270 20 0 ACADLO Cc1nonc1Cn1cc[nH+]c1 69795811 343442395 /nfs/dbraw/zinc/44/23/95/343442395.db2.gz KQFFLIPJYBEATM-UHFFFAOYSA-N 1 2 164.168 0.623 20 0 ACADLO C[C@@H]1C[C@@H]([NH2+]Cc2ncn[nH]2)CCO1 69889267 343450954 /nfs/dbraw/zinc/45/09/54/343450954.db2.gz CZERCYDQMOOUFP-SFYZADRCSA-N 1 2 196.254 0.462 20 0 ACADLO C[C@H]1C[C@H]([NH2+]Cc2ncn[nH]2)CCO1 69889266 343450967 /nfs/dbraw/zinc/45/09/67/343450967.db2.gz CZERCYDQMOOUFP-JGVFFNPUSA-N 1 2 196.254 0.462 20 0 ACADLO CCNC(=O)C[NH2+]Cc1nccs1 70159375 343475529 /nfs/dbraw/zinc/47/55/29/343475529.db2.gz FMQAAYWKUVVBJQ-UHFFFAOYSA-N 1 2 199.279 0.369 20 0 ACADLO CNC(=O)CCn1cc[nH+]c1 70162691 343476063 /nfs/dbraw/zinc/47/60/63/343476063.db2.gz OUXQIQWUXJFMDQ-UHFFFAOYSA-N 1 2 153.185 0.019 20 0 ACADLO COCCCn1cc[nH+]c1 70162748 343476289 /nfs/dbraw/zinc/47/62/89/343476289.db2.gz VAIQUCZGPSNGAU-UHFFFAOYSA-N 1 2 140.186 0.920 20 0 ACADLO O=C(Cn1cc[nH+]c1)NCC1CC1 70162570 343476425 /nfs/dbraw/zinc/47/64/25/343476425.db2.gz FNKWLERMQRUJFA-UHFFFAOYSA-N 1 2 179.223 0.409 20 0 ACADLO Cn1ccnc1Cn1cc[nH+]c1 70162858 343476803 /nfs/dbraw/zinc/47/68/03/343476803.db2.gz GUENORHFJQXNSD-UHFFFAOYSA-N 1 2 162.196 0.665 20 0 ACADLO CC(=O)N[C@@H](C)Cn1cc[nH+]c1 70226694 343481732 /nfs/dbraw/zinc/48/17/32/343481732.db2.gz PPKIGQIQAPBIOM-ZETCQYMHSA-N 1 2 167.212 0.408 20 0 ACADLO CC(=O)N[C@H](C)Cn1cc[nH+]c1 70226695 343481754 /nfs/dbraw/zinc/48/17/54/343481754.db2.gz PPKIGQIQAPBIOM-SSDOTTSWSA-N 1 2 167.212 0.408 20 0 ACADLO CC(=O)NCCc1[nH+]ccn1C 70232841 343484239 /nfs/dbraw/zinc/48/42/39/343484239.db2.gz FPPDBWBSWOBAFC-UHFFFAOYSA-N 1 2 167.212 0.099 20 0 ACADLO COC[C@H](O)CNc1cc[nH+]c(C)n1 70590127 343498427 /nfs/dbraw/zinc/49/84/27/343498427.db2.gz QQYPDTRARWZMDQ-MRVPVSSYSA-N 1 2 197.238 0.204 20 0 ACADLO c1cn2cnnc2c(-n2cc[nH+]c2)n1 70617524 343503546 /nfs/dbraw/zinc/50/35/46/343503546.db2.gz RZEPMNNYKPJTMM-UHFFFAOYSA-N 1 2 186.178 0.310 20 0 ACADLO CC[C@@H](COC)[NH2+][C@@H](C)C(=O)OC 70624083 343506681 /nfs/dbraw/zinc/50/66/81/343506681.db2.gz UOFXMKGHORBVRH-YUMQZZPRSA-N 1 2 189.255 0.563 20 0 ACADLO CC[C@H](COC)[NH2+]Cc1ccn[nH]1 70624234 343506811 /nfs/dbraw/zinc/50/68/11/343506811.db2.gz ONYAHIAZUQURTG-MRVPVSSYSA-N 1 2 183.255 0.924 20 0 ACADLO CC[C@H](COC)[NH2+][C@H](C)C(=O)OC 70624268 343506835 /nfs/dbraw/zinc/50/68/35/343506835.db2.gz UOFXMKGHORBVRH-HTQZYQBOSA-N 1 2 189.255 0.563 20 0 ACADLO CC[C@@H](COC)[NH2+][C@H](C)C(=O)OC 70624267 343506846 /nfs/dbraw/zinc/50/68/46/343506846.db2.gz UOFXMKGHORBVRH-SFYZADRCSA-N 1 2 189.255 0.563 20 0 ACADLO CC[C@H](COC)[NH2+][C@@H](C)C(=O)OC 70624084 343506854 /nfs/dbraw/zinc/50/68/54/343506854.db2.gz UOFXMKGHORBVRH-JGVFFNPUSA-N 1 2 189.255 0.563 20 0 ACADLO CC[C@@H](COC)[NH2+]Cc1ccn[nH]1 70624233 343506943 /nfs/dbraw/zinc/50/69/43/343506943.db2.gz ONYAHIAZUQURTG-QMMMGPOBSA-N 1 2 183.255 0.924 20 0 ACADLO COCCC(=O)N(C)Cc1[nH]cc[nH+]1 70650821 343518972 /nfs/dbraw/zinc/51/89/72/343518972.db2.gz HWLPHKKJESJBPQ-UHFFFAOYSA-N 1 2 197.238 0.405 20 0 ACADLO C[C@H]1C[C@@H]1C(=O)NCc1[nH]cc[nH+]1 70651454 343519149 /nfs/dbraw/zinc/51/91/49/343519149.db2.gz URYHFIGHCKFWKX-BQBZGAKWSA-N 1 2 179.223 0.682 20 0 ACADLO O=C(NCc1[nH]cc[nH+]1)[C@@H]1CCOC1 70651513 343519168 /nfs/dbraw/zinc/51/91/68/343519168.db2.gz CJMJQRQFRLJFHO-SSDOTTSWSA-N 1 2 195.222 0.062 20 0 ACADLO O=C(NCc1[nH]cc[nH+]1)C1CCC1 70651504 343519177 /nfs/dbraw/zinc/51/91/77/343519177.db2.gz SSDNLDADIBEDEW-UHFFFAOYSA-N 1 2 179.223 0.826 20 0 ACADLO O=C(CC1CC1)NCc1[nH]cc[nH+]1 70651642 343519257 /nfs/dbraw/zinc/51/92/57/343519257.db2.gz QWMQHASRKGAESA-UHFFFAOYSA-N 1 2 179.223 0.826 20 0 ACADLO COCCC(=O)NCc1[nH]cc[nH+]1 70651557 343519323 /nfs/dbraw/zinc/51/93/23/343519323.db2.gz BVPPEUCGQWZKCQ-UHFFFAOYSA-N 1 2 183.211 0.062 20 0 ACADLO CCOCCC(=O)NCc1[nH]cc[nH+]1 70651477 343519358 /nfs/dbraw/zinc/51/93/58/343519358.db2.gz AXRKVZUBDJRUBY-UHFFFAOYSA-N 1 2 197.238 0.453 20 0 ACADLO COC(=O)NCc1[nH]cc[nH+]1 70651601 343519414 /nfs/dbraw/zinc/51/94/14/343519414.db2.gz ZTZGSYOAVDAGJO-UHFFFAOYSA-N 1 2 155.157 0.266 20 0 ACADLO O=C(NCc1[nH]cc[nH+]1)c1ccon1 70651619 343519439 /nfs/dbraw/zinc/51/94/39/343519439.db2.gz PRSLFZVSUSQXKJ-UHFFFAOYSA-N 1 2 192.178 0.328 20 0 ACADLO C[C@H]1C[C@H]1C(=O)NCc1[nH]cc[nH+]1 70651456 343519455 /nfs/dbraw/zinc/51/94/55/343519455.db2.gz URYHFIGHCKFWKX-NKWVEPMBSA-N 1 2 179.223 0.682 20 0 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343546824 /nfs/dbraw/zinc/54/68/24/343546824.db2.gz ZSGKAOOTIJYDLV-SECBINFHSA-N 1 2 187.239 0.318 20 0 ACADLO COC(=O)[C@@]1([NH2+]CC2CC2)CCOC1 70992995 343546922 /nfs/dbraw/zinc/54/69/22/343546922.db2.gz FXNWLQHJJQFDAQ-SNVBAGLBSA-N 1 2 199.250 0.318 20 0 ACADLO CCC[NH2+][C@@]1(C(=O)OC)CCOC1 70992851 343546951 /nfs/dbraw/zinc/54/69/51/343546951.db2.gz ZSGKAOOTIJYDLV-VIFPVBQESA-N 1 2 187.239 0.318 20 0 ACADLO O[C@H]1CC[N@H+](Cc2ccon2)C1 74334098 343572171 /nfs/dbraw/zinc/57/21/71/343572171.db2.gz APPYQMZANIVHOS-QMMMGPOBSA-N 1 2 168.196 0.241 20 0 ACADLO O[C@H]1CC[N@@H+](Cc2ccon2)C1 74334098 343572173 /nfs/dbraw/zinc/57/21/73/343572173.db2.gz APPYQMZANIVHOS-QMMMGPOBSA-N 1 2 168.196 0.241 20 0 ACADLO C[NH+]1CCN(C(=O)c2cocn2)CC1 74695390 343573324 /nfs/dbraw/zinc/57/33/24/343573324.db2.gz JASYXMUEDXDYDT-UHFFFAOYSA-N 1 2 195.222 0.062 20 0 ACADLO CCC(=O)NCc1[nH]cc[nH+]1 74828009 343573635 /nfs/dbraw/zinc/57/36/35/343573635.db2.gz YGUZRUWELMBCTP-UHFFFAOYSA-N 1 2 153.185 0.436 20 0 ACADLO O=C(NCc1[nH]cc[nH+]1)C1CC1 74828014 343574252 /nfs/dbraw/zinc/57/42/52/343574252.db2.gz PXMABCIMEZZBCG-UHFFFAOYSA-N 1 2 165.196 0.436 20 0 ACADLO CCCC(=O)NCc1[nH]cc[nH+]1 74828010 343574332 /nfs/dbraw/zinc/57/43/32/343574332.db2.gz PIFBGUBXRBGNKM-UHFFFAOYSA-N 1 2 167.212 0.826 20 0 ACADLO C[N@@H+]1CCc2nc(C(N)=O)sc2C1 75847381 343579005 /nfs/dbraw/zinc/57/90/05/343579005.db2.gz VSBQSUMVVZZFOO-UHFFFAOYSA-N 1 2 197.263 0.230 20 0 ACADLO C[N@H+]1CCc2nc(C(N)=O)sc2C1 75847381 343579007 /nfs/dbraw/zinc/57/90/07/343579007.db2.gz VSBQSUMVVZZFOO-UHFFFAOYSA-N 1 2 197.263 0.230 20 0 ACADLO c1nn[nH]c1C[NH+]1CCCCC1 78248165 343582149 /nfs/dbraw/zinc/58/21/49/343582149.db2.gz MZQKDWJGNRUHAC-UHFFFAOYSA-N 1 2 166.228 0.791 20 0 ACADLO c1[nH]nnc1C[NH+]1CCCCC1 78248165 343582151 /nfs/dbraw/zinc/58/21/51/343582151.db2.gz MZQKDWJGNRUHAC-UHFFFAOYSA-N 1 2 166.228 0.791 20 0 ACADLO c1n[nH]nc1C[NH+]1CCCCC1 78248165 343582153 /nfs/dbraw/zinc/58/21/53/343582153.db2.gz MZQKDWJGNRUHAC-UHFFFAOYSA-N 1 2 166.228 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/nfs/dbraw/zinc/59/69/76/343596976.db2.gz SNUYOXIGKNGZED-UHFFFAOYSA-N 1 2 183.211 0.094 20 0 ACADLO Cn1cc[nH+]c1CNC(=O)CC1CC1 82268404 343597146 /nfs/dbraw/zinc/59/71/46/343597146.db2.gz XICXEBFVNBMODN-UHFFFAOYSA-N 1 2 193.250 0.836 20 0 ACADLO COCC(=O)N[C@@H](C)c1[nH+]ccn1C 82276344 343598049 /nfs/dbraw/zinc/59/80/49/343598049.db2.gz WPRFLIYAZLRJAS-ZETCQYMHSA-N 1 2 197.238 0.244 20 0 ACADLO C[C@@H](CO)C[NH2+]Cc1ccn[nH]1 82394482 343600755 /nfs/dbraw/zinc/60/07/55/343600755.db2.gz UIZUVWZTUUBPHI-SSDOTTSWSA-N 1 2 169.228 0.128 20 0 ACADLO C[C@H](CO)C[NH2+]Cc1ccn[nH]1 82394480 343600880 /nfs/dbraw/zinc/60/08/80/343600880.db2.gz UIZUVWZTUUBPHI-ZETCQYMHSA-N 1 2 169.228 0.128 20 0 ACADLO Cc1nc(N)c2c([nH+]1)CCOC2 82403515 343601202 /nfs/dbraw/zinc/60/12/02/343601202.db2.gz APLFCDKRBGKHLN-UHFFFAOYSA-N 1 2 165.196 0.440 20 0 ACADLO CCOCC(=O)NCc1[nH+]ccn1C 82419063 343603001 /nfs/dbraw/zinc/60/30/01/343603001.db2.gz AJPNVFPSALEYEB-UHFFFAOYSA-N 1 2 197.238 0.073 20 0 ACADLO 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ACADLO CN(Cc1[nH]cc[nH+]1)C(=O)C1CC1 82681536 343609757 /nfs/dbraw/zinc/60/97/57/343609757.db2.gz LCWGXQKHMPQHEN-UHFFFAOYSA-N 1 2 179.223 0.778 20 0 ACADLO CCOCC(=O)N(C)Cc1[nH]cc[nH+]1 82687014 343610066 /nfs/dbraw/zinc/61/00/66/343610066.db2.gz HNZMMAZNEGJEGC-UHFFFAOYSA-N 1 2 197.238 0.405 20 0 ACADLO CN(C)C(=O)N(C)Cc1[nH]cc[nH+]1 82687012 343610163 /nfs/dbraw/zinc/61/01/63/343610163.db2.gz DGACKQWTFZKJSQ-UHFFFAOYSA-N 1 2 182.227 0.523 20 0 ACADLO CC[C@@](C)(O)C[NH2+]Cc1ccn[nH]1 82687240 343610332 /nfs/dbraw/zinc/61/03/32/343610332.db2.gz IJUAHGQCVMTLGB-SECBINFHSA-N 1 2 183.255 0.660 20 0 ACADLO CC(C)(O)C[NH2+]Cc1ccn[nH]1 82687408 343610344 /nfs/dbraw/zinc/61/03/44/343610344.db2.gz VMHOTAAATFVVKZ-UHFFFAOYSA-N 1 2 169.228 0.270 20 0 ACADLO COCCCC(=O)NCc1[nH]cc[nH+]1 82707673 343610740 /nfs/dbraw/zinc/61/07/40/343610740.db2.gz JOHGHIKVGUXGRA-UHFFFAOYSA-N 1 2 197.238 0.453 20 0 ACADLO COC(=O)[C@@H]1CC[N@H+](CC(F)F)C1 82699192 343610809 /nfs/dbraw/zinc/61/08/09/343610809.db2.gz FKDKJYKZEZXJDI-ZCFIWIBFSA-N 1 2 193.193 0.746 20 0 ACADLO COC(=O)[C@@H]1CC[N@@H+](CC(F)F)C1 82699192 343610811 /nfs/dbraw/zinc/61/08/11/343610811.db2.gz FKDKJYKZEZXJDI-ZCFIWIBFSA-N 1 2 193.193 0.746 20 0 ACADLO COC(=O)[C@H]1CC[N@H+](CC(F)F)C1 82699193 343610901 /nfs/dbraw/zinc/61/09/01/343610901.db2.gz FKDKJYKZEZXJDI-LURJTMIESA-N 1 2 193.193 0.746 20 0 ACADLO COC(=O)[C@H]1CC[N@@H+](CC(F)F)C1 82699193 343610905 /nfs/dbraw/zinc/61/09/05/343610905.db2.gz FKDKJYKZEZXJDI-LURJTMIESA-N 1 2 193.193 0.746 20 0 ACADLO C[C@H]([NH2+]Cc1ccn[nH]1)C(C)(C)O 82717427 343611577 /nfs/dbraw/zinc/61/15/77/343611577.db2.gz YOHNKAXCZRXVGQ-ZETCQYMHSA-N 1 2 183.255 0.659 20 0 ACADLO Cc1cccc(C[N@H+](C)CC(N)=O)n1 82730646 343612054 /nfs/dbraw/zinc/61/20/54/343612054.db2.gz AKVXGFQEEMASHI-UHFFFAOYSA-N 1 2 193.250 0.307 20 0 ACADLO Cc1cccc(C[N@@H+](C)CC(N)=O)n1 82730646 343612056 /nfs/dbraw/zinc/61/20/56/343612056.db2.gz AKVXGFQEEMASHI-UHFFFAOYSA-N 1 2 193.250 0.307 20 0 ACADLO Cc1nc(NCC[C@H](C)O)cc[nH+]1 82997689 343616413 /nfs/dbraw/zinc/61/64/13/343616413.db2.gz PPGNCRHOVVAWTM-ZETCQYMHSA-N 1 2 181.239 0.968 20 0 ACADLO Cc1nc(NC[C@@H](C)CO)cc[nH+]1 83220522 343617139 /nfs/dbraw/zinc/61/71/39/343617139.db2.gz CQYAZCMKCSDFQR-SSDOTTSWSA-N 1 2 181.239 0.825 20 0 ACADLO Cc1nc(NC[C@H](C)CO)cc[nH+]1 83220523 343617247 /nfs/dbraw/zinc/61/72/47/343617247.db2.gz CQYAZCMKCSDFQR-ZETCQYMHSA-N 1 2 181.239 0.825 20 0 ACADLO COC[C@@H]([NH2+]CC(=O)OC)C(C)C 83400105 343619311 /nfs/dbraw/zinc/61/93/11/343619311.db2.gz PERRIDMGHMFTJK-MRVPVSSYSA-N 1 2 189.255 0.420 20 0 ACADLO COC[C@H]([NH2+]CC(=O)OC)C(C)C 83400106 343619376 /nfs/dbraw/zinc/61/93/76/343619376.db2.gz PERRIDMGHMFTJK-QMMMGPOBSA-N 1 2 189.255 0.420 20 0 ACADLO Cc1nc(NCC(C)(C)O)cc[nH+]1 83466531 343620453 /nfs/dbraw/zinc/62/04/53/343620453.db2.gz ADGHYLDNNAELEI-UHFFFAOYSA-N 1 2 181.239 0.968 20 0 ACADLO CNc1cc(N(C)C)nc[nH+]1 83823874 343624621 /nfs/dbraw/zinc/62/46/21/343624621.db2.gz NHAURMKXZLKLPE-UHFFFAOYSA-N 1 2 152.201 0.584 20 0 ACADLO CNc1cc(N(C)C)[nH+]cn1 83823874 343624622 /nfs/dbraw/zinc/62/46/22/343624622.db2.gz NHAURMKXZLKLPE-UHFFFAOYSA-N 1 2 152.201 0.584 20 0 ACADLO CNc1cc(N2CCOCC2)nc[nH+]1 83824400 343625086 /nfs/dbraw/zinc/62/50/86/343625086.db2.gz XADFPZCHKUGGGQ-UHFFFAOYSA-N 1 2 194.238 0.355 20 0 ACADLO CNc1cc(N2CCOCC2)[nH+]cn1 83824400 343625088 /nfs/dbraw/zinc/62/50/88/343625088.db2.gz XADFPZCHKUGGGQ-UHFFFAOYSA-N 1 2 194.238 0.355 20 0 ACADLO CCOC(=O)C[NH2+][C@H](CO)C(C)C 83824204 343625091 /nfs/dbraw/zinc/62/50/91/343625091.db2.gz CXKSZRCRTIISAX-MRVPVSSYSA-N 1 2 189.255 0.156 20 0 ACADLO C[C@@H]1C[C@H]1C(=O)NCc1c[nH]c[nH+]1 84081583 343630371 /nfs/dbraw/zinc/63/03/71/343630371.db2.gz LWWBFRZCGGAVCO-HTRCEHHLSA-N 1 2 179.223 0.682 20 0 ACADLO O=C(NCc1c[nH+]c[nH]1)c1ccco1 84081555 343630383 /nfs/dbraw/zinc/63/03/83/343630383.db2.gz BMYROKPHSRKOLU-UHFFFAOYSA-N 1 2 191.190 0.933 20 0 ACADLO O=C(NCc1c[nH]c[nH+]1)c1ccco1 84081555 343630385 /nfs/dbraw/zinc/63/03/85/343630385.db2.gz BMYROKPHSRKOLU-UHFFFAOYSA-N 1 2 191.190 0.933 20 0 ACADLO O=C(NCc1c[nH+]c[nH]1)c1ccn[nH]1 84081777 343630406 /nfs/dbraw/zinc/63/04/06/343630406.db2.gz XSSXEOXSFKSXGA-UHFFFAOYSA-N 1 2 191.194 0.063 20 0 ACADLO O=C(NCc1c[nH]c[nH+]1)c1ccn[nH]1 84081777 343630407 /nfs/dbraw/zinc/63/04/07/343630407.db2.gz XSSXEOXSFKSXGA-UHFFFAOYSA-N 1 2 191.194 0.063 20 0 ACADLO O=C(NCc1c[nH+]c[nH]1)c1cn[nH]c1 84081476 343630454 /nfs/dbraw/zinc/63/04/54/343630454.db2.gz SRKQPFONSPMBAZ-UHFFFAOYSA-N 1 2 191.194 0.063 20 0 ACADLO O=C(NCc1c[nH]c[nH+]1)c1cn[nH]c1 84081476 343630455 /nfs/dbraw/zinc/63/04/55/343630455.db2.gz SRKQPFONSPMBAZ-UHFFFAOYSA-N 1 2 191.194 0.063 20 0 ACADLO O=C(NCc1c[nH+]c[nH]1)C1CC1 84081545 343630464 /nfs/dbraw/zinc/63/04/64/343630464.db2.gz HZEKBKDNQDSDBZ-UHFFFAOYSA-N 1 2 165.196 0.436 20 0 ACADLO O=C(NCc1c[nH]c[nH+]1)C1CC1 84081545 343630466 /nfs/dbraw/zinc/63/04/66/343630466.db2.gz HZEKBKDNQDSDBZ-UHFFFAOYSA-N 1 2 165.196 0.436 20 0 ACADLO O=C(NCc1c[nH+]c[nH]1)[C@H]1CCCO1 84081703 343630481 /nfs/dbraw/zinc/63/04/81/343630481.db2.gz SARSADTTYBJOFJ-MRVPVSSYSA-N 1 2 195.222 0.205 20 0 ACADLO O=C(NCc1c[nH]c[nH+]1)[C@H]1CCCO1 84081703 343630483 /nfs/dbraw/zinc/63/04/83/343630483.db2.gz SARSADTTYBJOFJ-MRVPVSSYSA-N 1 2 195.222 0.205 20 0 ACADLO O=C(NCc1c[nH+]c[nH]1)C1CCC1 84081600 343630505 /nfs/dbraw/zinc/63/05/05/343630505.db2.gz NLKQYLVUHQKLGV-UHFFFAOYSA-N 1 2 179.223 0.826 20 0 ACADLO O=C(NCc1c[nH]c[nH+]1)C1CCC1 84081600 343630508 /nfs/dbraw/zinc/63/05/08/343630508.db2.gz NLKQYLVUHQKLGV-UHFFFAOYSA-N 1 2 179.223 0.826 20 0 ACADLO C[C@@H]1C[C@@H]1C(=O)NCc1c[nH+]c[nH]1 84081580 343630520 /nfs/dbraw/zinc/63/05/20/343630520.db2.gz LWWBFRZCGGAVCO-SVRRBLITSA-N 1 2 179.223 0.682 20 0 ACADLO C[C@@H]1C[C@@H]1C(=O)NCc1c[nH]c[nH+]1 84081580 343630521 /nfs/dbraw/zinc/63/05/21/343630521.db2.gz LWWBFRZCGGAVCO-SVRRBLITSA-N 1 2 179.223 0.682 20 0 ACADLO CCCC(=O)NCc1c[nH+]c[nH]1 84081546 343630532 /nfs/dbraw/zinc/63/05/32/343630532.db2.gz LLXKMOFPTBDITG-UHFFFAOYSA-N 1 2 167.212 0.826 20 0 ACADLO CCCC(=O)NCc1c[nH]c[nH+]1 84081546 343630533 /nfs/dbraw/zinc/63/05/33/343630533.db2.gz LLXKMOFPTBDITG-UHFFFAOYSA-N 1 2 167.212 0.826 20 0 ACADLO O=C(NCc1c[nH+]c[nH]1)c1ccc[nH]1 84081772 343630584 /nfs/dbraw/zinc/63/05/84/343630584.db2.gz KLFRNOGLYNFVGR-UHFFFAOYSA-N 1 2 190.206 0.668 20 0 ACADLO O=C(NCc1c[nH]c[nH+]1)c1ccc[nH]1 84081772 343630586 /nfs/dbraw/zinc/63/05/86/343630586.db2.gz KLFRNOGLYNFVGR-UHFFFAOYSA-N 1 2 190.206 0.668 20 0 ACADLO O=C(NCc1c[nH+]c[nH]1)[C@@H]1CCCO1 84081702 343630590 /nfs/dbraw/zinc/63/05/90/343630590.db2.gz SARSADTTYBJOFJ-QMMMGPOBSA-N 1 2 195.222 0.205 20 0 ACADLO O=C(NCc1c[nH]c[nH+]1)[C@@H]1CCCO1 84081702 343630592 /nfs/dbraw/zinc/63/05/92/343630592.db2.gz SARSADTTYBJOFJ-QMMMGPOBSA-N 1 2 195.222 0.205 20 0 ACADLO C[C@H]1C[C@@H]1C(=O)NCc1c[nH+]c[nH]1 84081581 343630625 /nfs/dbraw/zinc/63/06/25/343630625.db2.gz LWWBFRZCGGAVCO-XPUUQOCRSA-N 1 2 179.223 0.682 20 0 ACADLO C[C@H]1C[C@@H]1C(=O)NCc1c[nH]c[nH+]1 84081581 343630626 /nfs/dbraw/zinc/63/06/26/343630626.db2.gz LWWBFRZCGGAVCO-XPUUQOCRSA-N 1 2 179.223 0.682 20 0 ACADLO CCC(=O)NCc1c[nH+]c[nH]1 84081556 343630679 /nfs/dbraw/zinc/63/06/79/343630679.db2.gz RXFUXBRLPYEQOO-UHFFFAOYSA-N 1 2 153.185 0.436 20 0 ACADLO CCC(=O)NCc1c[nH]c[nH+]1 84081556 343630680 /nfs/dbraw/zinc/63/06/80/343630680.db2.gz RXFUXBRLPYEQOO-UHFFFAOYSA-N 1 2 153.185 0.436 20 0 ACADLO C[C@H]1C[C@H]1C(=O)NCc1c[nH+]c[nH]1 84081585 343630686 /nfs/dbraw/zinc/63/06/86/343630686.db2.gz LWWBFRZCGGAVCO-POYBYMJQSA-N 1 2 179.223 0.682 20 0 ACADLO C[C@H]1C[C@H]1C(=O)NCc1c[nH]c[nH+]1 84081585 343630687 /nfs/dbraw/zinc/63/06/87/343630687.db2.gz LWWBFRZCGGAVCO-POYBYMJQSA-N 1 2 179.223 0.682 20 0 ACADLO CC(C)C(=O)NCc1c[nH+]c[nH]1 84081550 343630739 /nfs/dbraw/zinc/63/07/39/343630739.db2.gz KKIJTLJUAMOIMR-UHFFFAOYSA-N 1 2 167.212 0.682 20 0 ACADLO CC(C)C(=O)NCc1c[nH]c[nH+]1 84081550 343630741 /nfs/dbraw/zinc/63/07/41/343630741.db2.gz KKIJTLJUAMOIMR-UHFFFAOYSA-N 1 2 167.212 0.682 20 0 ACADLO CCOCC(=O)NCc1c[nH+]c[nH]1 84081543 343630750 /nfs/dbraw/zinc/63/07/50/343630750.db2.gz YXYBYTYAIZDKRB-UHFFFAOYSA-N 1 2 183.211 0.062 20 0 ACADLO CCOCC(=O)NCc1c[nH]c[nH+]1 84081543 343630752 /nfs/dbraw/zinc/63/07/52/343630752.db2.gz YXYBYTYAIZDKRB-UHFFFAOYSA-N 1 2 183.211 0.062 20 0 ACADLO COCCCC(=O)NCc1c[nH+]c[nH]1 84193908 343631739 /nfs/dbraw/zinc/63/17/39/343631739.db2.gz HCNMZXRYCVTJOF-UHFFFAOYSA-N 1 2 197.238 0.453 20 0 ACADLO COCCCC(=O)NCc1c[nH]c[nH+]1 84193908 343631741 /nfs/dbraw/zinc/63/17/41/343631741.db2.gz HCNMZXRYCVTJOF-UHFFFAOYSA-N 1 2 197.238 0.453 20 0 ACADLO Cc1ccc([C@@H]2[NH2+]CCNC2=O)cc1 84554307 343637388 /nfs/dbraw/zinc/63/73/88/343637388.db2.gz RXFUIHADWKAZNF-JTQLQIEISA-N 1 2 190.246 0.756 20 0 in-vitro ACADLO CN1C[C@@H](c2ccccc2)[NH2+]CC1=O 84452035 343637490 /nfs/dbraw/zinc/63/74/90/343637490.db2.gz XTZUZTPCFNPDJJ-JTQLQIEISA-N 1 2 190.246 0.789 20 0 in-vitro ACADLO CN1C[C@H](c2ccccc2)[NH2+]CC1=O 84452032 343637535 /nfs/dbraw/zinc/63/75/35/343637535.db2.gz XTZUZTPCFNPDJJ-SNVBAGLBSA-N 1 2 190.246 0.789 20 0 in-vitro ACADLO O=C1C[N@H+](Cc2cccs2)CCN1 84942465 343638497 /nfs/dbraw/zinc/63/84/97/343638497.db2.gz FDHZBUPONURICG-UHFFFAOYSA-N 1 2 196.275 0.680 20 0 ACADLO O=C1C[N@@H+](Cc2cccs2)CCN1 84942465 343638499 /nfs/dbraw/zinc/63/84/99/343638499.db2.gz FDHZBUPONURICG-UHFFFAOYSA-N 1 2 196.275 0.680 20 0 ACADLO COC(=O)[C@H](C)NCc1c[nH+]cn1C 85168637 343641282 /nfs/dbraw/zinc/64/12/82/343641282.db2.gz PUORCIRRZFCLAM-ZETCQYMHSA-N 1 2 197.238 0.071 20 0 ACADLO COC(=O)CN(C)Cc1c[nH+]cn1C 85191892 343641415 /nfs/dbraw/zinc/64/14/15/343641415.db2.gz OHFGCZLQXQWHHH-UHFFFAOYSA-N 1 2 197.238 0.025 20 0 ACADLO Cn1c[nH+]cc1Cn1cccn1 85191991 343641408 /nfs/dbraw/zinc/64/14/08/343641408.db2.gz DFVPNZFFAZDKLS-UHFFFAOYSA-N 1 2 162.196 0.665 20 0 ACADLO COC(=O)[C@@H](C)NCc1c[nH+]cn1C 85169412 343641460 /nfs/dbraw/zinc/64/14/60/343641460.db2.gz PUORCIRRZFCLAM-SSDOTTSWSA-N 1 2 197.238 0.071 20 0 ACADLO Cn1ncnc1C[N@H+](C)CC(C)(C)O 85873980 343647747 /nfs/dbraw/zinc/64/77/47/343647747.db2.gz BAMZTNURMDYVRM-UHFFFAOYSA-N 1 2 198.270 0.018 20 0 ACADLO Cn1ncnc1C[N@@H+](C)CC(C)(C)O 85873980 343647749 /nfs/dbraw/zinc/64/77/49/343647749.db2.gz BAMZTNURMDYVRM-UHFFFAOYSA-N 1 2 198.270 0.018 20 0 ACADLO COC(=O)C[N@H+](C)CCC(C)(C)O 86237327 343650522 /nfs/dbraw/zinc/65/05/22/343650522.db2.gz LBJXGAQZGXVQGH-UHFFFAOYSA-N 1 2 189.255 0.252 20 0 ACADLO Oc1cccc(C[NH+]2CC(O)C2)c1 87182662 343658339 /nfs/dbraw/zinc/65/83/39/343658339.db2.gz HPGUAPZRSGAQMX-UHFFFAOYSA-N 1 2 179.219 0.569 20 0 ACADLO O[C@H]1CC[N@H+](Cc2nccs2)C1 87396343 343660427 /nfs/dbraw/zinc/66/04/27/343660427.db2.gz VFTHFZJHHHTXHO-ZETCQYMHSA-N 1 2 184.264 0.710 20 0 ACADLO O[C@H]1CC[N@@H+](Cc2nccs2)C1 87396343 343660430 /nfs/dbraw/zinc/66/04/30/343660430.db2.gz VFTHFZJHHHTXHO-ZETCQYMHSA-N 1 2 184.264 0.710 20 0 ACADLO O[C@@H]1CC[N@H+](Cc2nccs2)C1 87396344 343660797 /nfs/dbraw/zinc/66/07/97/343660797.db2.gz VFTHFZJHHHTXHO-SSDOTTSWSA-N 1 2 184.264 0.710 20 0 ACADLO 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182.227 0.577 20 0 ACADLO CCN(CCO)c1cc(NC)[nH+]cn1 87819988 343665091 /nfs/dbraw/zinc/66/50/91/343665091.db2.gz IRLLOXFBMXWVDS-UHFFFAOYSA-N 1 2 196.254 0.337 20 0 ACADLO CCN(CCO)c1cc(NC)nc[nH+]1 87819988 343665092 /nfs/dbraw/zinc/66/50/92/343665092.db2.gz IRLLOXFBMXWVDS-UHFFFAOYSA-N 1 2 196.254 0.337 20 0 ACADLO CNc1cc(N[C@H](C)COC)nc[nH+]1 87807806 343665206 /nfs/dbraw/zinc/66/52/06/343665206.db2.gz FTYRYVMBWIEKCV-SSDOTTSWSA-N 1 2 196.254 0.965 20 0 ACADLO CNc1cc(N[C@H](C)COC)[nH+]cn1 87807806 343665209 /nfs/dbraw/zinc/66/52/09/343665209.db2.gz FTYRYVMBWIEKCV-SSDOTTSWSA-N 1 2 196.254 0.965 20 0 ACADLO CNc1cc(N2CC[C@@H](O)C2)nc[nH+]1 87828626 343665213 /nfs/dbraw/zinc/66/52/13/343665213.db2.gz PVRJOMKPNFJMPK-SSDOTTSWSA-N 1 2 194.238 0.089 20 0 ACADLO CNc1cc(N2CC[C@@H](O)C2)[nH+]cn1 87828626 343665214 /nfs/dbraw/zinc/66/52/14/343665214.db2.gz PVRJOMKPNFJMPK-SSDOTTSWSA-N 1 2 194.238 0.089 20 0 ACADLO CNc1cc(N(C)CCOC)nc[nH+]1 87821612 343665232 /nfs/dbraw/zinc/66/52/32/343665232.db2.gz 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/nfs/dbraw/zinc/66/62/55/343666255.db2.gz XHVFBMHCFVRSNQ-MRVPVSSYSA-N 1 2 189.255 0.516 20 0 ACADLO CCOC(=O)C[N@H+](C)CCCF 88026773 343666790 /nfs/dbraw/zinc/66/67/90/343666790.db2.gz XMAFTSGNQCMBKN-UHFFFAOYSA-N 1 2 177.219 0.841 20 0 ACADLO CCOC(=O)C[N@@H+](C)CCCF 88026773 343666793 /nfs/dbraw/zinc/66/67/93/343666793.db2.gz XMAFTSGNQCMBKN-UHFFFAOYSA-N 1 2 177.219 0.841 20 0 ACADLO C[N@H+](CCC(F)(F)F)CC(N)=O 88430193 343671833 /nfs/dbraw/zinc/67/18/33/343671833.db2.gz LGZGVXXYEHHMLX-UHFFFAOYSA-N 1 2 184.161 0.356 20 0 ACADLO C[N@@H+](CCC(F)(F)F)CC(N)=O 88430193 343671834 /nfs/dbraw/zinc/67/18/34/343671834.db2.gz LGZGVXXYEHHMLX-UHFFFAOYSA-N 1 2 184.161 0.356 20 0 ACADLO CN1CCC[C@H]1c1nnc(C[NH3+])o1 95828839 343687801 /nfs/dbraw/zinc/68/78/01/343687801.db2.gz HOBQPGAYJDDBHJ-LURJTMIESA-N 1 2 182.227 0.295 20 0 ACADLO Cc1c(N)c[nH+]cc1O 95929592 343690687 /nfs/dbraw/zinc/69/06/87/343690687.db2.gz DXWDYBKOHYMMHL-UHFFFAOYSA-N 1 2 124.143 0.678 20 0 ACADLO CCCC[C@@H]([NH2+]C)C(=O)OC 96299017 343695334 /nfs/dbraw/zinc/69/53/34/343695334.db2.gz QUGICNJVTIHLDB-SSDOTTSWSA-N 1 2 159.229 0.938 20 0 ACADLO CCCC[C@H]([NH2+]C)C(=O)OC 96299016 343695659 /nfs/dbraw/zinc/69/56/59/343695659.db2.gz QUGICNJVTIHLDB-ZETCQYMHSA-N 1 2 159.229 0.938 20 0 ACADLO Cc1cc(N)nc(SCCCO)[nH+]1 96551248 343699734 /nfs/dbraw/zinc/69/97/34/343699734.db2.gz WPRBIIJCFBGKSB-UHFFFAOYSA-N 1 2 199.279 0.842 20 0 ACADLO C[C@@H](CCO)[NH2+]Cc1ccn[nH]1 96811728 343700801 /nfs/dbraw/zinc/70/08/01/343700801.db2.gz KFDUKQCEWJJOEZ-ZETCQYMHSA-N 1 2 169.228 0.270 20 0 ACADLO C[C@H](CCO)[NH2+]Cc1ccn[nH]1 96811729 343700856 /nfs/dbraw/zinc/70/08/56/343700856.db2.gz KFDUKQCEWJJOEZ-SSDOTTSWSA-N 1 2 169.228 0.270 20 0 ACADLO Cc1cc(N[C@H](C)CCO)nc[nH+]1 96810382 343700929 /nfs/dbraw/zinc/70/09/29/343700929.db2.gz UFWJLFHTBDNFEM-SSDOTTSWSA-N 1 2 181.239 0.968 20 0 ACADLO Cc1nc(N[C@@H](C)CCO)cc[nH+]1 97635678 343702978 /nfs/dbraw/zinc/70/29/78/343702978.db2.gz DNYSSUBHZZRPMN-ZETCQYMHSA-N 1 2 181.239 0.968 20 0 ACADLO 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CC[N@H+]1CC(=O)O[C@@H](C)C1 117773630 343773346 /nfs/dbraw/zinc/77/33/46/343773346.db2.gz QLZBFOBNCOWKJG-LURJTMIESA-N 1 2 143.186 0.254 20 0 ACADLO CC[N@@H+]1CC(=O)O[C@@H](C)C1 117773630 343773349 /nfs/dbraw/zinc/77/33/49/343773349.db2.gz QLZBFOBNCOWKJG-LURJTMIESA-N 1 2 143.186 0.254 20 0 ACADLO CN1CC[NH+](Cc2ccncc2)CC1 117904571 343774016 /nfs/dbraw/zinc/77/40/16/343774016.db2.gz UFRQXKOKLIMLBO-UHFFFAOYSA-N 1 2 191.278 0.829 20 0 ACADLO CCN(C)C(=O)NCCn1cc[nH+]c1 121940944 343777417 /nfs/dbraw/zinc/77/74/17/343777417.db2.gz QUBISOFNTIMXNN-UHFFFAOYSA-N 1 2 196.254 0.544 20 0 ACADLO COCC(C)(C)[NH2+]Cc1ccn[nH]1 122244950 343778711 /nfs/dbraw/zinc/77/87/11/343778711.db2.gz KZTMKWJZPMFDOF-UHFFFAOYSA-N 1 2 183.255 0.924 20 0 ACADLO CCN(C)C(=O)NCc1[nH+]ccn1C 122449586 343779894 /nfs/dbraw/zinc/77/98/94/343779894.db2.gz RXGFMBRPWQSWJB-UHFFFAOYSA-N 1 2 196.254 0.581 20 0 ACADLO CCCNC(=O)NCc1[nH+]ccn1C 122430501 343780079 /nfs/dbraw/zinc/78/00/79/343780079.db2.gz JBGCUSCGVHLLFZ-UHFFFAOYSA-N 1 2 196.254 0.629 20 0 ACADLO C[N@H+](CCC(N)=O)CC(F)F 122540237 343780100 /nfs/dbraw/zinc/78/01/00/343780100.db2.gz UOPNOVXXYSGPCH-UHFFFAOYSA-N 1 2 166.171 0.059 20 0 ACADLO C[N@@H+](CCC(N)=O)CC(F)F 122540237 343780101 /nfs/dbraw/zinc/78/01/01/343780101.db2.gz UOPNOVXXYSGPCH-UHFFFAOYSA-N 1 2 166.171 0.059 20 0 ACADLO CC[C@H](O)C[N@H+](C)CC(F)F 122788335 343780958 /nfs/dbraw/zinc/78/09/58/343780958.db2.gz HATSNZLLMWAAIE-LURJTMIESA-N 1 2 167.199 0.954 20 0 ACADLO CC[C@H](O)C[N@@H+](C)CC(F)F 122788335 343780959 /nfs/dbraw/zinc/78/09/59/343780959.db2.gz HATSNZLLMWAAIE-LURJTMIESA-N 1 2 167.199 0.954 20 0 ACADLO CC[C@@H](O)C[N@H+](C)CC(F)F 122788582 343781318 /nfs/dbraw/zinc/78/13/18/343781318.db2.gz HATSNZLLMWAAIE-ZCFIWIBFSA-N 1 2 167.199 0.954 20 0 ACADLO CC[C@@H](O)C[N@@H+](C)CC(F)F 122788582 343781319 /nfs/dbraw/zinc/78/13/19/343781319.db2.gz HATSNZLLMWAAIE-ZCFIWIBFSA-N 1 2 167.199 0.954 20 0 ACADLO C[C@H]1C[C@H]1C(=O)NCCc1[nH]cc[nH+]1 123080119 343781611 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ACADLO CCC[C@H](O)C[NH2+]Cc1cn[nH]c1C 123302647 343782417 /nfs/dbraw/zinc/78/24/17/343782417.db2.gz RSTUFIXQOQIUHW-JTQLQIEISA-N 1 2 197.282 0.969 20 0 ACADLO CCC[C@@H](O)C[NH2+]Cc1ccn[nH]1 123293766 343782434 /nfs/dbraw/zinc/78/24/34/343782434.db2.gz VEMWZKOQVXUTNS-SECBINFHSA-N 1 2 183.255 0.660 20 0 ACADLO CCC[C@H](O)C[NH2+]Cc1ccn[nH]1 123293544 343782484 /nfs/dbraw/zinc/78/24/84/343782484.db2.gz VEMWZKOQVXUTNS-VIFPVBQESA-N 1 2 183.255 0.660 20 0 ACADLO OC1(C[NH2+]Cc2ccn[nH]2)CCC1 123185087 343782556 /nfs/dbraw/zinc/78/25/56/343782556.db2.gz CQNBWIDPTGWIHZ-UHFFFAOYSA-N 1 2 181.239 0.414 20 0 ACADLO Cc1[nH]ncc1C[NH2+]CC1(O)CCC1 123169657 343782662 /nfs/dbraw/zinc/78/26/62/343782662.db2.gz NLTLEDUTKZTCJI-UHFFFAOYSA-N 1 2 195.266 0.723 20 0 ACADLO CCC[C@@H](O)C[NH2+]Cc1cn[nH]c1C 123302862 343782785 /nfs/dbraw/zinc/78/27/85/343782785.db2.gz RSTUFIXQOQIUHW-SNVBAGLBSA-N 1 2 197.282 0.969 20 0 ACADLO COC(=O)[C@@H](C)[NH2+]C1CC(C)C1 123318391 343783211 /nfs/dbraw/zinc/78/32/11/343783211.db2.gz OEKKSPYULPKBFX-ZUEIMRROSA-N 1 2 171.240 0.936 20 0 ACADLO CN(C)C(=O)N1CCn2cc[nH+]c2C1 123708926 343784398 /nfs/dbraw/zinc/78/43/98/343784398.db2.gz RZKFXOXXZJBQNU-UHFFFAOYSA-N 1 2 194.238 0.380 20 0 ACADLO CC(C)[C@@H](O)C[NH2+]Cc1ccn[nH]1 123904147 343784819 /nfs/dbraw/zinc/78/48/19/343784819.db2.gz QYNQNVFGYPGOHR-VIFPVBQESA-N 1 2 183.255 0.516 20 0 ACADLO CC(C)[C@H](O)C[NH2+]Cc1ccn[nH]1 123903924 343785172 /nfs/dbraw/zinc/78/51/72/343785172.db2.gz QYNQNVFGYPGOHR-SECBINFHSA-N 1 2 183.255 0.516 20 0 ACADLO Cc1[nH]ncc1C[NH2+]C[C@@H](O)C(C)C 123902719 343785306 /nfs/dbraw/zinc/78/53/06/343785306.db2.gz XLXZNVJEBZVAQI-SNVBAGLBSA-N 1 2 197.282 0.825 20 0 ACADLO Cc1[nH]ncc1C[NH2+]C[C@H](O)C(C)C 123902486 343785341 /nfs/dbraw/zinc/78/53/41/343785341.db2.gz XLXZNVJEBZVAQI-JTQLQIEISA-N 1 2 197.282 0.825 20 0 ACADLO Cc1nc(C[N@@H+](C)C(C)(C)CO)no1 124782582 343787590 /nfs/dbraw/zinc/78/75/90/343787590.db2.gz YDMJYTDQSTVWKU-UHFFFAOYSA-N 1 2 199.254 0.581 20 0 ACADLO Cc1nc(C[N@H+](C)C(C)(C)CO)no1 124782582 343787592 /nfs/dbraw/zinc/78/75/92/343787592.db2.gz YDMJYTDQSTVWKU-UHFFFAOYSA-N 1 2 199.254 0.581 20 0 ACADLO Cc1noc(C[N@@H+](C)C(C)(C)CO)n1 124773783 343787896 /nfs/dbraw/zinc/78/78/96/343787896.db2.gz TVJLOJKZLJQYGV-UHFFFAOYSA-N 1 2 199.254 0.581 20 0 ACADLO Cc1noc(C[N@H+](C)C(C)(C)CO)n1 124773783 343787899 /nfs/dbraw/zinc/78/78/99/343787899.db2.gz TVJLOJKZLJQYGV-UHFFFAOYSA-N 1 2 199.254 0.581 20 0 ACADLO CC[C@@H](NC(C)=O)c1[nH]cc[nH+]1 125317331 343790421 /nfs/dbraw/zinc/79/04/21/343790421.db2.gz CEDYYTZQGVRDKL-SSDOTTSWSA-N 1 2 167.212 0.997 20 0 ACADLO CCCC(=O)NCCc1[nH]cc[nH+]1 126445297 343793929 /nfs/dbraw/zinc/79/39/29/343793929.db2.gz HENHNEUOKRECMW-UHFFFAOYSA-N 1 2 181.239 0.869 20 0 ACADLO CCOCC(=O)NCCc1[nH]cc[nH+]1 126446590 343793997 /nfs/dbraw/zinc/79/39/97/343793997.db2.gz RAOOSBRWYMBFJE-UHFFFAOYSA-N 1 2 197.238 0.105 20 0 ACADLO CC(C)(CCO)[NH2+]Cc1ccn[nH]1 127125467 343805029 /nfs/dbraw/zinc/80/50/29/343805029.db2.gz 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306204595 345093876 /nfs/dbraw/zinc/09/38/76/345093876.db2.gz DVHRVOGHYVKVJJ-QMMMGPOBSA-N 1 2 181.239 0.630 20 0 ACADLO CC[C@@H](F)C[N@@H+]1CCNC(=O)[C@H]1C 306208120 345097092 /nfs/dbraw/zinc/09/70/92/345097092.db2.gz AXOURTCYKGMGLD-HTQZYQBOSA-N 1 2 188.246 0.555 20 0 ACADLO CC[C@@H](F)C[N@H+]1CCNC(=O)[C@H]1C 306208120 345097093 /nfs/dbraw/zinc/09/70/93/345097093.db2.gz AXOURTCYKGMGLD-HTQZYQBOSA-N 1 2 188.246 0.555 20 0 ACADLO CC[C@@H](F)C[N@@H+]1CCNC(=O)[C@@H]1C 306208123 345097422 /nfs/dbraw/zinc/09/74/22/345097422.db2.gz AXOURTCYKGMGLD-JGVFFNPUSA-N 1 2 188.246 0.555 20 0 ACADLO CC[C@@H](F)C[N@H+]1CCNC(=O)[C@@H]1C 306208123 345097426 /nfs/dbraw/zinc/09/74/26/345097426.db2.gz AXOURTCYKGMGLD-JGVFFNPUSA-N 1 2 188.246 0.555 20 0 ACADLO CC[C@H](F)C[N@@H+]1CCNC(=O)[C@@H]1C 306208133 345097715 /nfs/dbraw/zinc/09/77/15/345097715.db2.gz AXOURTCYKGMGLD-YUMQZZPRSA-N 1 2 188.246 0.555 20 0 ACADLO CC[C@H](F)C[N@H+]1CCNC(=O)[C@@H]1C 306208133 345097719 /nfs/dbraw/zinc/09/77/19/345097719.db2.gz 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/nfs/dbraw/zinc/27/83/32/345278332.db2.gz HEAXXXXWMXIRPX-SSDOTTSWSA-N 1 2 197.200 0.905 20 0 ACADLO OC[C@@H]1C[N@H+](CCF)CCC1(F)F 306421499 345278727 /nfs/dbraw/zinc/27/87/27/345278727.db2.gz HEAXXXXWMXIRPX-ZETCQYMHSA-N 1 2 197.200 0.905 20 0 ACADLO OC[C@@H]1C[N@@H+](CCF)CCC1(F)F 306421499 345278728 /nfs/dbraw/zinc/27/87/28/345278728.db2.gz HEAXXXXWMXIRPX-ZETCQYMHSA-N 1 2 197.200 0.905 20 0 ACADLO CN1CC[N@H+](CCCF)CC1=O 306429131 345286372 /nfs/dbraw/zinc/28/63/72/345286372.db2.gz ODIXFHSNXUNXLZ-UHFFFAOYSA-N 1 2 174.219 0.120 20 0 ACADLO CN1CC[N@@H+](CCCF)CC1=O 306429131 345286373 /nfs/dbraw/zinc/28/63/73/345286373.db2.gz ODIXFHSNXUNXLZ-UHFFFAOYSA-N 1 2 174.219 0.120 20 0 ACADLO CC1(C)C[N@H+](CC(F)F)C[C@@H]1O 306430079 345287732 /nfs/dbraw/zinc/28/77/32/345287732.db2.gz PYUWKQFRILFFIJ-LURJTMIESA-N 1 2 179.210 0.954 20 0 ACADLO CC1(C)C[N@@H+](CC(F)F)C[C@@H]1O 306430079 345287733 /nfs/dbraw/zinc/28/77/33/345287733.db2.gz PYUWKQFRILFFIJ-LURJTMIESA-N 1 2 179.210 0.954 20 0 ACADLO CC1(C)C[N@H+](CC(F)F)C[C@H]1O 306430080 345287765 /nfs/dbraw/zinc/28/77/65/345287765.db2.gz PYUWKQFRILFFIJ-ZCFIWIBFSA-N 1 2 179.210 0.954 20 0 ACADLO CC1(C)C[N@@H+](CC(F)F)C[C@H]1O 306430080 345287768 /nfs/dbraw/zinc/28/77/68/345287768.db2.gz PYUWKQFRILFFIJ-ZCFIWIBFSA-N 1 2 179.210 0.954 20 0 ACADLO C[N@@H+](Cc1nnc[nH]1)C1CCC1 306445149 345305162 /nfs/dbraw/zinc/30/51/62/345305162.db2.gz PVYJGPLYJLIAKM-UHFFFAOYSA-N 1 2 166.228 0.789 20 0 ACADLO C[N@H+](Cc1nnc[nH]1)C1CCC1 306445149 345305160 /nfs/dbraw/zinc/30/51/60/345305160.db2.gz PVYJGPLYJLIAKM-UHFFFAOYSA-N 1 2 166.228 0.789 20 0 ACADLO Cc1nnc(C[N@H+]2CCC[C@H](O)C2)[nH]1 306458973 345318711 /nfs/dbraw/zinc/31/87/11/345318711.db2.gz DFCHIFKQDUDLOZ-QMMMGPOBSA-N 1 2 196.254 0.070 20 0 ACADLO Cc1nnc(C[N@@H+]2CCC[C@H](O)C2)[nH]1 306458973 345318708 /nfs/dbraw/zinc/31/87/08/345318708.db2.gz DFCHIFKQDUDLOZ-QMMMGPOBSA-N 1 2 196.254 0.070 20 0 ACADLO Cc1nnc(C[N@@H+]2CCC[C@@H](O)C2)[nH]1 306458969 345318722 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C[N@H+](Cc1ccon1)C1CC(O)C1 306501587 345376003 /nfs/dbraw/zinc/37/60/03/345376003.db2.gz RMDUCRJCKHBWNK-UHFFFAOYSA-N 1 2 182.223 0.630 20 0 ACADLO Cc1[nH+]c[nH]c1CNC(=O)C1CC1 306503800 345377779 /nfs/dbraw/zinc/37/77/79/345377779.db2.gz ICHMNAGKJOUOLO-UHFFFAOYSA-N 1 2 179.223 0.744 20 0 ACADLO Cc1[nH]c(C(=O)NCC(F)F)c[nH+]1 306516908 345388184 /nfs/dbraw/zinc/38/81/84/345388184.db2.gz ZNIIMIXLZFASOP-UHFFFAOYSA-N 1 2 189.165 0.713 20 0 ACADLO CC1C[NH+](Cc2cn(C)nn2)C1 306532400 345403961 /nfs/dbraw/zinc/40/39/61/345403961.db2.gz LXAURBYSWXPXSR-UHFFFAOYSA-N 1 2 166.228 0.267 20 0 ACADLO Cc1nnc(NCCn2cc[nH+]c2)o1 306534399 345406814 /nfs/dbraw/zinc/40/68/14/345406814.db2.gz ITKJCMKPQXPQPV-UHFFFAOYSA-N 1 2 193.210 0.687 20 0 ACADLO Nc1ccc(CNC(=O)C2CC2)c[nH+]1 306534922 345407463 /nfs/dbraw/zinc/40/74/63/345407463.db2.gz JCIMPLWFNCVGPM-UHFFFAOYSA-N 1 2 191.234 0.690 20 0 ACADLO CC[C@@H](F)C[NH+]1CCN(C)CC1 306545996 345420401 /nfs/dbraw/zinc/42/04/01/345420401.db2.gz GVWRZNGZBAZCRT-SECBINFHSA-N 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C[C@H]1C(=O)NCCC[N@@H+]1CCF 306608074 345482056 /nfs/dbraw/zinc/48/20/56/345482056.db2.gz VHINGVUEQXNNEA-ZETCQYMHSA-N 1 2 174.219 0.166 20 0 ACADLO c1snnc1C[NH2+]C1CSC1 306607818 345482136 /nfs/dbraw/zinc/48/21/36/345482136.db2.gz ILWBCNUUMBZLKF-UHFFFAOYSA-N 1 2 187.293 0.743 20 0 ACADLO O=C(Nc1cc[nH+]cc1O)C(F)F 306617344 345490456 /nfs/dbraw/zinc/49/04/56/345490456.db2.gz QHVYPVQPBPWHSP-UHFFFAOYSA-N 1 2 188.133 0.991 20 0 ACADLO O=C1C[N@H+](C/C=C/Cl)CCCN1 306622569 345494964 /nfs/dbraw/zinc/49/49/64/345494964.db2.gz CZWXRTHDHDMALQ-HNQUOIGGSA-N 1 2 188.658 0.561 20 0 ACADLO O=C1C[N@@H+](C/C=C/Cl)CCCN1 306622569 345494966 /nfs/dbraw/zinc/49/49/66/345494966.db2.gz CZWXRTHDHDMALQ-HNQUOIGGSA-N 1 2 188.658 0.561 20 0 ACADLO Cc1nc(N2C[C@@H](C)[C@@H](O)C2)cc[nH+]1 306629694 345500124 /nfs/dbraw/zinc/50/01/24/345500124.db2.gz KHACVIMIZBTPEU-APPZFPTMSA-N 1 2 193.250 0.602 20 0 ACADLO Cc1nc(N2C[C@@H](O)[C@H](C)C2)cc[nH+]1 306629700 345500147 /nfs/dbraw/zinc/50/01/47/345500147.db2.gz KHACVIMIZBTPEU-VXNVDRBHSA-N 1 2 193.250 0.602 20 0 ACADLO Cc1nc(N2C[C@H](C)[C@H](O)C2)cc[nH+]1 306629698 345500183 /nfs/dbraw/zinc/50/01/83/345500183.db2.gz KHACVIMIZBTPEU-IONNQARKSA-N 1 2 193.250 0.602 20 0 ACADLO Cc1nnc(C[N@@H+](C)C2CC2)[nH]1 306633341 345502098 /nfs/dbraw/zinc/50/20/98/345502098.db2.gz RARFAFRMLDVETL-UHFFFAOYSA-N 1 2 166.228 0.707 20 0 ACADLO Cc1nnc(C[N@H+](C)C2CC2)[nH]1 306633341 345502100 /nfs/dbraw/zinc/50/21/00/345502100.db2.gz RARFAFRMLDVETL-UHFFFAOYSA-N 1 2 166.228 0.707 20 0 ACADLO Cc1cc(N2C[C@H](C)[C@H](O)C2)nc[nH+]1 306643421 345511458 /nfs/dbraw/zinc/51/14/58/345511458.db2.gz WOLWFSIQHIZUJD-IONNQARKSA-N 1 2 193.250 0.602 20 0 ACADLO Cc1cc(N2C[C@@H](C)[C@@H](O)C2)nc[nH+]1 306643419 345511639 /nfs/dbraw/zinc/51/16/39/345511639.db2.gz WOLWFSIQHIZUJD-APPZFPTMSA-N 1 2 193.250 0.602 20 0 ACADLO Cc1cc(N2C[C@H](C)[C@@H](O)C2)nc[nH+]1 306643420 345511669 /nfs/dbraw/zinc/51/16/69/345511669.db2.gz WOLWFSIQHIZUJD-CBAPKCEASA-N 1 2 193.250 0.602 20 0 ACADLO Cc1cc(N2C[C@@H](O)[C@H](C)C2)nc[nH+]1 306643422 345512441 /nfs/dbraw/zinc/51/24/41/345512441.db2.gz WOLWFSIQHIZUJD-VXNVDRBHSA-N 1 2 193.250 0.602 20 0 ACADLO Cc1[nH]ncc1C[N@@H+]1CC[C@H](O)C1 306648657 345516497 /nfs/dbraw/zinc/51/64/97/345516497.db2.gz CNTBOUOXVHUSMO-VIFPVBQESA-N 1 2 181.239 0.285 20 0 ACADLO Cc1[nH]ncc1C[N@H+]1CC[C@H](O)C1 306648657 345516498 /nfs/dbraw/zinc/51/64/98/345516498.db2.gz CNTBOUOXVHUSMO-VIFPVBQESA-N 1 2 181.239 0.285 20 0 ACADLO Nc1nc(N2CCC2)nc(C2CC2)[nH+]1 306658126 345523870 /nfs/dbraw/zinc/52/38/70/345523870.db2.gz IKTAFEZJMPGHIS-UHFFFAOYSA-N 1 2 191.238 0.541 20 0 ACADLO Nc1nc(C2CC2)[nH+]c(N2CCC2)n1 306658126 345523874 /nfs/dbraw/zinc/52/38/74/345523874.db2.gz IKTAFEZJMPGHIS-UHFFFAOYSA-N 1 2 191.238 0.541 20 0 ACADLO NC(=O)c1cc(N)cc2[nH+]c[nH]c12 306688762 345548290 /nfs/dbraw/zinc/54/82/90/345548290.db2.gz NGMUSBZSMKGTLI-UHFFFAOYSA-N 1 2 176.179 0.244 20 0 ACADLO CC[C@H](O)C[NH+]1CC(F)C1 306691038 345549527 /nfs/dbraw/zinc/54/95/27/345549527.db2.gz NFQWFEDYWDUSGI-ZETCQYMHSA-N 1 2 147.193 0.411 20 0 ACADLO CC[C@@H](O)C[NH+]1CC(F)C1 306691037 345549606 /nfs/dbraw/zinc/54/96/06/345549606.db2.gz NFQWFEDYWDUSGI-SSDOTTSWSA-N 1 2 147.193 0.411 20 0 ACADLO CC1(C)C[N@H+](CC[NH3+])CCCO1 306693149 345551373 /nfs/dbraw/zinc/55/13/73/345551373.db2.gz QXGJSTNRPGBSPK-UHFFFAOYSA-N 1 2 172.272 0.446 20 0 ACADLO CC1(C)C[N@@H+](CC[NH3+])CCCO1 306693149 345551377 /nfs/dbraw/zinc/55/13/77/345551377.db2.gz QXGJSTNRPGBSPK-UHFFFAOYSA-N 1 2 172.272 0.446 20 0 ACADLO C[C@H](O)C[N@@H+]1CCC(F)(F)C1 306694502 345551662 /nfs/dbraw/zinc/55/16/62/345551662.db2.gz SYWINEFFTALABF-LURJTMIESA-N 1 2 165.183 0.708 20 0 ACADLO C[C@H](O)C[N@H+]1CCC(F)(F)C1 306694502 345551664 /nfs/dbraw/zinc/55/16/64/345551664.db2.gz SYWINEFFTALABF-LURJTMIESA-N 1 2 165.183 0.708 20 0 ACADLO COC(=O)C[N@@H+]1CCCOC[C@@H]1C 306695756 345552173 /nfs/dbraw/zinc/55/21/73/345552173.db2.gz VMWAYPRSEBQQMO-QMMMGPOBSA-N 1 2 187.239 0.270 20 0 ACADLO COC(=O)C[N@H+]1CCCOC[C@@H]1C 306695756 345552175 /nfs/dbraw/zinc/55/21/75/345552175.db2.gz VMWAYPRSEBQQMO-QMMMGPOBSA-N 1 2 187.239 0.270 20 0 ACADLO COC(=O)C[N@@H+]1CCCOC[C@H]1C 306695755 345552215 /nfs/dbraw/zinc/55/22/15/345552215.db2.gz VMWAYPRSEBQQMO-MRVPVSSYSA-N 1 2 187.239 0.270 20 0 ACADLO COC(=O)C[N@H+]1CCCOC[C@H]1C 306695755 345552216 /nfs/dbraw/zinc/55/22/16/345552216.db2.gz VMWAYPRSEBQQMO-MRVPVSSYSA-N 1 2 187.239 0.270 20 0 ACADLO Cn1c[nH+]cc1CNc1ncccn1 306721977 345572572 /nfs/dbraw/zinc/57/25/72/345572572.db2.gz FGBVKZCITQTFDG-UHFFFAOYSA-N 1 2 189.222 0.822 20 0 ACADLO CN1C[C@H](Nc2cccc[nH+]2)CC1=O 306749387 345590790 /nfs/dbraw/zinc/59/07/90/345590790.db2.gz FXOAJEVLIXVEFS-MRVPVSSYSA-N 1 2 191.234 0.724 20 0 ACADLO CN1C[C@@H](Nc2cccc[nH+]2)CC1=O 306749390 345590847 /nfs/dbraw/zinc/59/08/47/345590847.db2.gz FXOAJEVLIXVEFS-QMMMGPOBSA-N 1 2 191.234 0.724 20 0 ACADLO Cc1[nH]c(C(=O)N[C@H](C)CF)c[nH+]1 306804847 345625467 /nfs/dbraw/zinc/62/54/67/345625467.db2.gz YVIWGNYOLFNTOZ-RXMQYKEDSA-N 1 2 185.202 0.806 20 0 ACADLO Cc1[nH]c(C(=O)N[C@@H](C)CF)c[nH+]1 306804848 345625738 /nfs/dbraw/zinc/62/57/38/345625738.db2.gz YVIWGNYOLFNTOZ-YFKPBYRVSA-N 1 2 185.202 0.806 20 0 ACADLO C[C@H](O)C[N@@H+]1CCO[C@H](C(F)F)C1 306813788 345631743 /nfs/dbraw/zinc/63/17/43/345631743.db2.gz CDIKPXVHXGFXNZ-BQBZGAKWSA-N 1 2 195.209 0.333 20 0 ACADLO C[C@H](O)C[N@H+]1CCO[C@H](C(F)F)C1 306813788 345631745 /nfs/dbraw/zinc/63/17/45/345631745.db2.gz CDIKPXVHXGFXNZ-BQBZGAKWSA-N 1 2 195.209 0.333 20 0 ACADLO C[C@H](O)C[N@@H+]1CCO[C@@H](C(F)F)C1 306813790 345631831 /nfs/dbraw/zinc/63/18/31/345631831.db2.gz CDIKPXVHXGFXNZ-NKWVEPMBSA-N 1 2 195.209 0.333 20 0 ACADLO C[C@H](O)C[N@H+]1CCO[C@@H](C(F)F)C1 306813790 345631834 /nfs/dbraw/zinc/63/18/34/345631834.db2.gz CDIKPXVHXGFXNZ-NKWVEPMBSA-N 1 2 195.209 0.333 20 0 ACADLO C[C@@H](O)C[N@@H+]1CCO[C@@H](C(F)F)C1 306813802 345631858 /nfs/dbraw/zinc/63/18/58/345631858.db2.gz CDIKPXVHXGFXNZ-RNFRBKRXSA-N 1 2 195.209 0.333 20 0 ACADLO C[C@@H](O)C[N@H+]1CCO[C@@H](C(F)F)C1 306813802 345631862 /nfs/dbraw/zinc/63/18/62/345631862.db2.gz CDIKPXVHXGFXNZ-RNFRBKRXSA-N 1 2 195.209 0.333 20 0 ACADLO C[C@@H](O)C[N@@H+]1CCO[C@H](C(F)F)C1 306813808 345631922 /nfs/dbraw/zinc/63/19/22/345631922.db2.gz CDIKPXVHXGFXNZ-RQJHMYQMSA-N 1 2 195.209 0.333 20 0 ACADLO C[C@@H](O)C[N@H+]1CCO[C@H](C(F)F)C1 306813808 345631926 /nfs/dbraw/zinc/63/19/26/345631926.db2.gz CDIKPXVHXGFXNZ-RQJHMYQMSA-N 1 2 195.209 0.333 20 0 ACADLO O=C1OCC[C@H]1[N@@H+]1CCCOCC1 306816485 345632917 /nfs/dbraw/zinc/63/29/17/345632917.db2.gz CBTKHCDRAFCFOT-MRVPVSSYSA-N 1 2 185.223 0.024 20 0 ACADLO O=C1OCC[C@H]1[N@H+]1CCCOCC1 306816485 345632919 /nfs/dbraw/zinc/63/29/19/345632919.db2.gz CBTKHCDRAFCFOT-MRVPVSSYSA-N 1 2 185.223 0.024 20 0 ACADLO O=C1OCC[C@@H]1[N@@H+]1CCCOCC1 306816488 345632977 /nfs/dbraw/zinc/63/29/77/345632977.db2.gz CBTKHCDRAFCFOT-QMMMGPOBSA-N 1 2 185.223 0.024 20 0 ACADLO O=C1OCC[C@@H]1[N@H+]1CCCOCC1 306816488 345632978 /nfs/dbraw/zinc/63/29/78/345632978.db2.gz CBTKHCDRAFCFOT-QMMMGPOBSA-N 1 2 185.223 0.024 20 0 ACADLO c1cn(Cc2cn[nH]c2)c[nH+]1 306815761 345633021 /nfs/dbraw/zinc/63/30/21/345633021.db2.gz BUJPBWMARDLDPO-UHFFFAOYSA-N 1 2 148.169 0.655 20 0 ACADLO CC(C)NC(=O)Cc1c[nH+]cn1C 306824140 345638771 /nfs/dbraw/zinc/63/87/71/345638771.db2.gz SOGFHSHVLUDDGH-UHFFFAOYSA-N 1 2 181.239 0.487 20 0 ACADLO Cc1cc(N)nn1CCn1cc[nH+]c1 306861623 345664467 /nfs/dbraw/zinc/66/44/67/345664467.db2.gz FQVFIHSMMVVXII-UHFFFAOYSA-N 1 2 191.238 0.670 20 0 ACADLO c1cn(Cc2cnns2)c[nH+]1 306882798 345679837 /nfs/dbraw/zinc/67/98/37/345679837.db2.gz NZEHABGRRYQSNG-UHFFFAOYSA-N 1 2 166.209 0.783 20 0 ACADLO Cn1c[nH+]cc1CC(=O)N1CCC1 306883236 345680103 /nfs/dbraw/zinc/68/01/03/345680103.db2.gz ORDBBEYCLGFLAH-UHFFFAOYSA-N 1 2 179.223 0.195 20 0 ACADLO O[C@H]1CCC[N@H+](Cc2cnns2)C1 306924131 345700649 /nfs/dbraw/zinc/70/06/49/345700649.db2.gz IIJPKOBSPFMLAB-ZETCQYMHSA-N 1 2 199.279 0.495 20 0 ACADLO O[C@H]1CCC[N@@H+](Cc2cnns2)C1 306924131 345700650 /nfs/dbraw/zinc/70/06/50/345700650.db2.gz IIJPKOBSPFMLAB-ZETCQYMHSA-N 1 2 199.279 0.495 20 0 ACADLO Cc1[nH]c(C(=O)NCC2CC2)c[nH+]1 306956744 345718435 /nfs/dbraw/zinc/71/84/35/345718435.db2.gz RZQYSUIGGAHFGH-UHFFFAOYSA-N 1 2 179.223 0.858 20 0 ACADLO CC(=O)NCc1[nH]c[nH+]c1C 306966959 345723714 /nfs/dbraw/zinc/72/37/14/345723714.db2.gz PBGREGSCJILMFJ-UHFFFAOYSA-N 1 2 153.185 0.354 20 0 ACADLO O[C@H]1CC[N@H+](Cc2cnns2)C1 306968542 345724702 /nfs/dbraw/zinc/72/47/02/345724702.db2.gz HUNUAVQQQRSPJJ-LURJTMIESA-N 1 2 185.252 0.105 20 0 ACADLO O[C@H]1CC[N@@H+](Cc2cnns2)C1 306968542 345724704 /nfs/dbraw/zinc/72/47/04/345724704.db2.gz HUNUAVQQQRSPJJ-LURJTMIESA-N 1 2 185.252 0.105 20 0 ACADLO CCc1nc(Cn2cc[nH+]c2)n[nH]1 306976551 345729576 /nfs/dbraw/zinc/72/95/76/345729576.db2.gz YYEYMESBFVQPGL-UHFFFAOYSA-N 1 2 177.211 0.612 20 0 ACADLO C[C@H](F)CC[NH+]1CCS(=O)CC1 306981842 345733108 /nfs/dbraw/zinc/73/31/08/345733108.db2.gz IMVMWDFORUPVFY-QMMMGPOBSA-N 1 2 193.287 0.799 20 0 ACADLO c1cc(C[NH2+]C2CSC2)no1 307001219 345743959 /nfs/dbraw/zinc/74/39/59/345743959.db2.gz BTSBREWHGSXDMY-UHFFFAOYSA-N 1 2 170.237 0.880 20 0 ACADLO C[C@@H]1C[C@H](O)C[N@@H+]1Cc1cnns1 307051992 345779769 /nfs/dbraw/zinc/77/97/69/345779769.db2.gz TXSQDEKAFFAOML-RQJHMYQMSA-N 1 2 199.279 0.493 20 0 ACADLO C[C@@H]1C[C@H](O)C[N@H+]1Cc1cnns1 307051992 345779772 /nfs/dbraw/zinc/77/97/72/345779772.db2.gz TXSQDEKAFFAOML-RQJHMYQMSA-N 1 2 199.279 0.493 20 0 ACADLO C[C@@H]1C[C@@H](O)C[N@@H+]1Cc1cnns1 307051991 345779854 /nfs/dbraw/zinc/77/98/54/345779854.db2.gz TXSQDEKAFFAOML-RNFRBKRXSA-N 1 2 199.279 0.493 20 0 ACADLO C[C@@H]1C[C@@H](O)C[N@H+]1Cc1cnns1 307051991 345779856 /nfs/dbraw/zinc/77/98/56/345779856.db2.gz TXSQDEKAFFAOML-RNFRBKRXSA-N 1 2 199.279 0.493 20 0 ACADLO C[C@H]1C[C@@H](O)C[N@@H+]1Cc1cnns1 307051989 345780129 /nfs/dbraw/zinc/78/01/29/345780129.db2.gz TXSQDEKAFFAOML-NKWVEPMBSA-N 1 2 199.279 0.493 20 0 ACADLO C[C@H]1C[C@@H](O)C[N@H+]1Cc1cnns1 307051989 345780133 /nfs/dbraw/zinc/78/01/33/345780133.db2.gz TXSQDEKAFFAOML-NKWVEPMBSA-N 1 2 199.279 0.493 20 0 ACADLO C[C@H]1C[C@H](O)C[N@@H+]1Cc1cnns1 307051988 345780360 /nfs/dbraw/zinc/78/03/60/345780360.db2.gz TXSQDEKAFFAOML-BQBZGAKWSA-N 1 2 199.279 0.493 20 0 ACADLO C[C@H]1C[C@H](O)C[N@H+]1Cc1cnns1 307051988 345780364 /nfs/dbraw/zinc/78/03/64/345780364.db2.gz TXSQDEKAFFAOML-BQBZGAKWSA-N 1 2 199.279 0.493 20 0 ACADLO Cn1cnnc1NCc1[nH]cc[nH+]1 307063776 345788370 /nfs/dbraw/zinc/78/83/70/345788370.db2.gz PVZUEVFHPYUUES-UHFFFAOYSA-N 1 2 178.199 0.150 20 0 ACADLO Cc1cc(C[N@@H+]2CC[C@H](O)C2)n[nH]1 307087107 345802525 /nfs/dbraw/zinc/80/25/25/345802525.db2.gz ZNSVURVDSYOYAY-VIFPVBQESA-N 1 2 181.239 0.285 20 0 ACADLO Cc1cc(C[N@H+]2CC[C@H](O)C2)n[nH]1 307087107 345802527 /nfs/dbraw/zinc/80/25/27/345802527.db2.gz ZNSVURVDSYOYAY-VIFPVBQESA-N 1 2 181.239 0.285 20 0 ACADLO Cc1cc(N[C@@H]2CC[C@H]2O)nc[nH+]1 307107056 345813890 /nfs/dbraw/zinc/81/38/90/345813890.db2.gz FHHRWGAERAHVRR-HTQZYQBOSA-N 1 2 179.223 0.720 20 0 ACADLO Cl/C=C/C[N@@H+]1CCc2n[nH]nc2C1 307127867 345826345 /nfs/dbraw/zinc/82/63/45/345826345.db2.gz CVTXCPDWBGTLRL-HNQUOIGGSA-N 1 2 198.657 0.915 20 0 ACADLO Cl/C=C/C[N@H+]1CCc2n[nH]nc2C1 307127867 345826347 /nfs/dbraw/zinc/82/63/47/345826347.db2.gz CVTXCPDWBGTLRL-HNQUOIGGSA-N 1 2 198.657 0.915 20 0 ACADLO Cc1[nH+]cccc1Cn1cnc(N)n1 307131523 345827755 /nfs/dbraw/zinc/82/77/55/345827755.db2.gz TYRPPGHZEBCYKF-UHFFFAOYSA-N 1 2 189.222 0.612 20 0 ACADLO CC1(C[NH+]2CCS(=O)CC2)CC1 307139060 345833240 /nfs/dbraw/zinc/83/32/40/345833240.db2.gz IKRZCJFNZCLJMQ-UHFFFAOYSA-N 1 2 187.308 0.851 20 0 ACADLO C[C@]1(C(=O)NCc2[nH]cc[nH+]2)C[C@@H]1F 307145932 345839248 /nfs/dbraw/zinc/83/92/48/345839248.db2.gz NBOBDJHRXGVYEU-RCOVLWMOSA-N 1 2 197.213 0.774 20 0 ACADLO C[C@]1(C(=O)NCc2[nH]cc[nH+]2)C[C@H]1F 307145931 345839669 /nfs/dbraw/zinc/83/96/69/345839669.db2.gz NBOBDJHRXGVYEU-MUWHJKNJSA-N 1 2 197.213 0.774 20 0 ACADLO CC[N@@H+]1C[C@@H](F)C[C@H]1C(=O)OC 307179321 345869208 /nfs/dbraw/zinc/86/92/08/345869208.db2.gz IJSZAYXOFSZERH-BQBZGAKWSA-N 1 2 175.203 0.592 20 0 ACADLO CC[N@H+]1C[C@@H](F)C[C@H]1C(=O)OC 307179321 345869211 /nfs/dbraw/zinc/86/92/11/345869211.db2.gz IJSZAYXOFSZERH-BQBZGAKWSA-N 1 2 175.203 0.592 20 0 ACADLO C[C@H]1C[N@H+](CCCF)CC[S@]1=O 307188116 345874964 /nfs/dbraw/zinc/87/49/64/345874964.db2.gz AVUKLUCZOAHDQV-QPUJVOFHSA-N 1 2 193.287 0.799 20 0 ACADLO C[C@H]1C[N@@H+](CCCF)CC[S@]1=O 307188116 345874965 /nfs/dbraw/zinc/87/49/65/345874965.db2.gz AVUKLUCZOAHDQV-QPUJVOFHSA-N 1 2 193.287 0.799 20 0 ACADLO C[C@H]1C[N@H+](CCCF)CC[S@@]1=O 307188115 345875096 /nfs/dbraw/zinc/87/50/96/345875096.db2.gz AVUKLUCZOAHDQV-UFBFGSQYSA-N 1 2 193.287 0.799 20 0 ACADLO C[C@H]1C[N@@H+](CCCF)CC[S@@]1=O 307188115 345875097 /nfs/dbraw/zinc/87/50/97/345875097.db2.gz AVUKLUCZOAHDQV-UFBFGSQYSA-N 1 2 193.287 0.799 20 0 ACADLO COCC(=O)Nc1cc[nH+]cc1O 307199476 345884468 /nfs/dbraw/zinc/88/44/68/345884468.db2.gz ZULDKILNQYVHJM-UHFFFAOYSA-N 1 2 182.179 0.372 20 0 ACADLO C[N@H+](Cc1cnc[nH]1)[C@H]1CCOC1 307221941 345900789 /nfs/dbraw/zinc/90/07/89/345900789.db2.gz QDIAFXYVBXDKTK-VIFPVBQESA-N 1 2 181.239 0.630 20 0 ACADLO C[N@@H+](Cc1cnc[nH]1)[C@H]1CCOC1 307221941 345900790 /nfs/dbraw/zinc/90/07/90/345900790.db2.gz QDIAFXYVBXDKTK-VIFPVBQESA-N 1 2 181.239 0.630 20 0 ACADLO C[N@H+](Cc1c[nH]cn1)[C@H]1CCOC1 307221941 345900793 /nfs/dbraw/zinc/90/07/93/345900793.db2.gz QDIAFXYVBXDKTK-VIFPVBQESA-N 1 2 181.239 0.630 20 0 ACADLO C[N@@H+](Cc1c[nH]cn1)[C@H]1CCOC1 307221941 345900795 /nfs/dbraw/zinc/90/07/95/345900795.db2.gz QDIAFXYVBXDKTK-VIFPVBQESA-N 1 2 181.239 0.630 20 0 ACADLO C[N@H+](Cc1cnc[nH]1)[C@@H]1CCOC1 307221940 345900891 /nfs/dbraw/zinc/90/08/91/345900891.db2.gz QDIAFXYVBXDKTK-SECBINFHSA-N 1 2 181.239 0.630 20 0 ACADLO C[N@@H+](Cc1cnc[nH]1)[C@@H]1CCOC1 307221940 345900895 /nfs/dbraw/zinc/90/08/95/345900895.db2.gz QDIAFXYVBXDKTK-SECBINFHSA-N 1 2 181.239 0.630 20 0 ACADLO C[N@H+](Cc1c[nH]cn1)[C@@H]1CCOC1 307221940 345900898 /nfs/dbraw/zinc/90/08/98/345900898.db2.gz QDIAFXYVBXDKTK-SECBINFHSA-N 1 2 181.239 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/nfs/dbraw/zinc/91/97/52/345919752.db2.gz ZOMZPDJGOKAWFM-IUCAKERBSA-N 1 2 171.240 0.685 20 0 ACADLO Cn1ncnc1CNc1cccc[nH+]1 307299239 345954773 /nfs/dbraw/zinc/95/47/73/345954773.db2.gz VCFZPFVTBOLGND-UHFFFAOYSA-N 1 2 189.222 0.822 20 0 ACADLO O=C1CC[C@@H](Cn2cc[nH+]c2)N1 307318186 345967735 /nfs/dbraw/zinc/96/77/35/345967735.db2.gz QBRNHGWFTVWOGB-ZETCQYMHSA-N 1 2 165.196 0.162 20 0 ACADLO CNC(=O)c1cccc2[nH+]ccn12 307318354 345967904 /nfs/dbraw/zinc/96/79/04/345967904.db2.gz QKTQDSBOOGZXSC-UHFFFAOYSA-N 1 2 175.191 0.694 20 0 ACADLO CON(C)c1[nH+]cnc2[nH]ccc12 307321191 345969361 /nfs/dbraw/zinc/96/93/61/345969361.db2.gz QAGJGOSJHNSNCJ-UHFFFAOYSA-N 1 2 178.195 0.956 20 0 ACADLO COc1c[nH+]cc(F)c1N 307346210 345984978 /nfs/dbraw/zinc/98/49/78/345984978.db2.gz WNYVDULNFQKSBB-UHFFFAOYSA-N 1 2 142.133 0.812 20 0 ACADLO Nc1cc(N2C[C@H]3C[C@H]3C2)[nH+]cn1 307364156 345996399 /nfs/dbraw/zinc/99/63/99/345996399.db2.gz KMBSQGWJTFDBMN-KNVOCYPGSA-N 1 2 176.223 0.515 20 0 ACADLO 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162.196 0.849 20 0 ACADLO Cn1ncc(Cn2cc[nH+]c2)n1 307448068 346046592 /nfs/dbraw/zinc/04/65/92/346046592.db2.gz KCKHTPGBORUGQD-UHFFFAOYSA-N 1 2 163.184 0.060 20 0 ACADLO CCn1cc[nH+]c1CNC(C)=O 307473810 346062047 /nfs/dbraw/zinc/06/20/47/346062047.db2.gz VQMBERGDQVOFDS-UHFFFAOYSA-N 1 2 167.212 0.539 20 0 ACADLO Cc1nnc(C[N@H+]2CC=CCC2)[nH]1 307494174 346073666 /nfs/dbraw/zinc/07/36/66/346073666.db2.gz QXVJQMZPNHJYIF-UHFFFAOYSA-N 1 2 178.239 0.875 20 0 ACADLO Cc1nnc(C[N@@H+]2CC=CCC2)[nH]1 307494174 346073667 /nfs/dbraw/zinc/07/36/67/346073667.db2.gz QXVJQMZPNHJYIF-UHFFFAOYSA-N 1 2 178.239 0.875 20 0 ACADLO CC(C)C1(O)C[NH+](Cc2cn[nH]c2)C1 307512330 346083451 /nfs/dbraw/zinc/08/34/51/346083451.db2.gz MLJBLAPZFATIHK-UHFFFAOYSA-N 1 2 195.266 0.612 20 0 ACADLO COc1c[nH+]c(N)cc1F 307539200 346099724 /nfs/dbraw/zinc/09/97/24/346099724.db2.gz XTYXDCZOPKUPTE-UHFFFAOYSA-N 1 2 142.133 0.812 20 0 ACADLO C[N@H+](Cc1ncc[nH]1)C1CC(O)C1 307545133 346103906 /nfs/dbraw/zinc/10/39/06/346103906.db2.gz 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/nfs/dbraw/zinc/18/49/18/346184918.db2.gz IXAMQHUOWBMGDT-CBAPKCEASA-N 1 2 197.213 0.774 20 0 ACADLO C[C@]1(C(=O)NCc2c[nH+]c[nH]2)C[C@H]1F 307688886 346184998 /nfs/dbraw/zinc/18/49/98/346184998.db2.gz IXAMQHUOWBMGDT-APPZFPTMSA-N 1 2 197.213 0.774 20 0 ACADLO C[C@]1(C(=O)NCc2c[nH]c[nH+]2)C[C@H]1F 307688886 346184999 /nfs/dbraw/zinc/18/49/99/346184999.db2.gz IXAMQHUOWBMGDT-APPZFPTMSA-N 1 2 197.213 0.774 20 0 ACADLO COC1CN(c2cc[nH+]c(C)n2)C1 307689554 346185202 /nfs/dbraw/zinc/18/52/02/346185202.db2.gz NNLDSRLZISXVKH-UHFFFAOYSA-N 1 2 179.223 0.620 20 0 ACADLO C[C@H]1COCC[N@H+]1Cc1ccno1 307700829 346192357 /nfs/dbraw/zinc/19/23/57/346192357.db2.gz MKMYNPPZINZOMP-QMMMGPOBSA-N 1 2 182.223 0.895 20 0 ACADLO C[C@H]1COCC[N@@H+]1Cc1ccno1 307700829 346192356 /nfs/dbraw/zinc/19/23/56/346192356.db2.gz MKMYNPPZINZOMP-QMMMGPOBSA-N 1 2 182.223 0.895 20 0 ACADLO C[C@H]1CC[N@H+](CCO)CC1(F)F 307726756 346205465 /nfs/dbraw/zinc/20/54/65/346205465.db2.gz CNHWNVJTYDJIDL-ZETCQYMHSA-N 1 2 179.210 0.956 20 0 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/nfs/dbraw/zinc/30/84/41/346308441.db2.gz FGIRWVSLCUMWFW-JTQLQIEISA-N 1 2 196.250 0.891 20 0 ACADLO COC(=O)[C@H](C)[NH2+]CC1=CCCOC1 308510445 346309533 /nfs/dbraw/zinc/30/95/33/346309533.db2.gz KTIMPZVAQJTJOQ-QMMMGPOBSA-N 1 2 199.250 0.484 20 0 ACADLO COC(=O)[C@@H](C)[NH2+]CC1=CCCOC1 308510444 346309805 /nfs/dbraw/zinc/30/98/05/346309805.db2.gz KTIMPZVAQJTJOQ-MRVPVSSYSA-N 1 2 199.250 0.484 20 0 ACADLO CC(C)[C@@](C)(O)C[NH2+]Cc1ccn[nH]1 308559018 346312017 /nfs/dbraw/zinc/31/20/17/346312017.db2.gz CYDPKHMSVXMUEI-JTQLQIEISA-N 1 2 197.282 0.906 20 0 ACADLO CC(C)[C@](C)(O)C[NH2+]Cc1ccn[nH]1 308559019 346312136 /nfs/dbraw/zinc/31/21/36/346312136.db2.gz CYDPKHMSVXMUEI-SNVBAGLBSA-N 1 2 197.282 0.906 20 0 ACADLO C[C@@](O)(C[NH2+]Cc1ccn[nH]1)C1CC1 308595058 346314320 /nfs/dbraw/zinc/31/43/20/346314320.db2.gz YGYAVWKHFRJTIO-SNVBAGLBSA-N 1 2 195.266 0.660 20 0 ACADLO Cn1ccnc1C[N@H+](C)[C@H]1CCOC1 334146873 346326968 /nfs/dbraw/zinc/32/69/68/346326968.db2.gz ROLVJODHQJSLMR-VIFPVBQESA-N 1 2 195.266 0.641 20 0 ACADLO Cn1ccnc1C[N@@H+](C)[C@H]1CCOC1 334146873 346326973 /nfs/dbraw/zinc/32/69/73/346326973.db2.gz ROLVJODHQJSLMR-VIFPVBQESA-N 1 2 195.266 0.641 20 0 ACADLO Cn1ccnc1C[N@H+](C)[C@@H]1CCOC1 334146872 346327249 /nfs/dbraw/zinc/32/72/49/346327249.db2.gz ROLVJODHQJSLMR-SECBINFHSA-N 1 2 195.266 0.641 20 0 ACADLO Cn1ccnc1C[N@@H+](C)[C@@H]1CCOC1 334146872 346327251 /nfs/dbraw/zinc/32/72/51/346327251.db2.gz ROLVJODHQJSLMR-SECBINFHSA-N 1 2 195.266 0.641 20 0 ACADLO Cc1cnc(C[N@@H+]2CCC[C@H](O)C2)o1 334148651 346328033 /nfs/dbraw/zinc/32/80/33/346328033.db2.gz BNEWVWUACRVYKX-VIFPVBQESA-N 1 2 196.250 0.940 20 0 ACADLO Cc1cnc(C[N@H+]2CCC[C@H](O)C2)o1 334148651 346328035 /nfs/dbraw/zinc/32/80/35/346328035.db2.gz BNEWVWUACRVYKX-VIFPVBQESA-N 1 2 196.250 0.940 20 0 ACADLO C[C@H]1CN(Cc2c[nH+]cn2C)CCO1 334175879 346330096 /nfs/dbraw/zinc/33/00/96/346330096.db2.gz CSPCOMONWQIQHT-VIFPVBQESA-N 1 2 195.266 0.641 20 0 ACADLO C[C@H]1C[N@H+](Cc2ccnn2C)CCO1 334189689 346330359 /nfs/dbraw/zinc/33/03/59/346330359.db2.gz GRZNCUYJCWZOIK-VIFPVBQESA-N 1 2 195.266 0.641 20 0 ACADLO C[C@H]1C[N@@H+](Cc2ccnn2C)CCO1 334189689 346330364 /nfs/dbraw/zinc/33/03/64/346330364.db2.gz GRZNCUYJCWZOIK-VIFPVBQESA-N 1 2 195.266 0.641 20 0 ACADLO C[C@H]1CN(Cc2[nH+]ccn2C)CCO1 334216198 346332520 /nfs/dbraw/zinc/33/25/20/346332520.db2.gz FXCCUJGJDSOVEB-VIFPVBQESA-N 1 2 195.266 0.641 20 0 ACADLO C[C@H]1COCC[N@@H+]1Cc1ccnn1C 334230747 346333536 /nfs/dbraw/zinc/33/35/36/346333536.db2.gz SHPATTADCMUUGB-VIFPVBQESA-N 1 2 195.266 0.641 20 0 ACADLO C[C@H]1COCC[N@H+]1Cc1ccnn1C 334230747 346333539 /nfs/dbraw/zinc/33/35/39/346333539.db2.gz SHPATTADCMUUGB-VIFPVBQESA-N 1 2 195.266 0.641 20 0 ACADLO Cc1cc(NC(=O)NCCF)cc[nH+]1 334247322 346334595 /nfs/dbraw/zinc/33/45/95/346334595.db2.gz KTOVMMJSZMYIIA-UHFFFAOYSA-N 1 2 197.213 0.903 20 0 ACADLO CN(c1cccc[nH+]1)[C@@H]1CCNC1=O 334257616 346335152 /nfs/dbraw/zinc/33/51/52/346335152.db2.gz NNCHJYSDOVANHI-MRVPVSSYSA-N 1 2 191.234 0.406 20 0 ACADLO CN(c1cccc[nH+]1)[C@H]1CCNC1=O 334257617 346335520 /nfs/dbraw/zinc/33/55/20/346335520.db2.gz NNCHJYSDOVANHI-QMMMGPOBSA-N 1 2 191.234 0.406 20 0 ACADLO CN(C)c1ccc(CNC(N)=O)c[nH+]1 334259045 346336480 /nfs/dbraw/zinc/33/64/80/346336480.db2.gz SXESMDYBOCDLMQ-UHFFFAOYSA-N 1 2 194.238 0.316 20 0 ACADLO CN(C)C(=O)[C@@H]1CCc2c[nH+]cn2C1 334334705 346341567 /nfs/dbraw/zinc/34/15/67/346341567.db2.gz YJNVPJDYCHSLLT-MRVPVSSYSA-N 1 2 193.250 0.534 20 0 ACADLO CN(C)C(=O)[C@H]1CCc2c[nH+]cn2C1 334334706 346341920 /nfs/dbraw/zinc/34/19/20/346341920.db2.gz YJNVPJDYCHSLLT-QMMMGPOBSA-N 1 2 193.250 0.534 20 0 ACADLO Cc1[nH]c(C(=O)NCC(C)(C)O)c[nH+]1 334362721 346342966 /nfs/dbraw/zinc/34/29/66/346342966.db2.gz KTWWTGWENIGAMI-UHFFFAOYSA-N 1 2 197.238 0.219 20 0 ACADLO Cc1n[nH]cc1C[N@H+]1CCOC[C@@H]1C 334377286 346343489 /nfs/dbraw/zinc/34/34/89/346343489.db2.gz FTJCMPAZXKZTGI-QMMMGPOBSA-N 1 2 195.266 0.939 20 0 ACADLO Cc1n[nH]cc1C[N@@H+]1CCOC[C@@H]1C 334377286 346343492 /nfs/dbraw/zinc/34/34/92/346343492.db2.gz FTJCMPAZXKZTGI-QMMMGPOBSA-N 1 2 195.266 0.939 20 0 ACADLO C[C@H]1COCC[N@H+](Cc2ncc[nH]2)C1 334370226 346343750 /nfs/dbraw/zinc/34/37/50/346343750.db2.gz VQAGVXOGDQMUIO-SECBINFHSA-N 1 2 195.266 0.878 20 0 ACADLO C[C@H]1COCC[N@@H+](Cc2ncc[nH]2)C1 334370226 346343754 /nfs/dbraw/zinc/34/37/54/346343754.db2.gz VQAGVXOGDQMUIO-SECBINFHSA-N 1 2 195.266 0.878 20 0 ACADLO Cc1n[nH]cc1C[N@H+]1CCOC[C@H]1C 334377283 346343815 /nfs/dbraw/zinc/34/38/15/346343815.db2.gz FTJCMPAZXKZTGI-MRVPVSSYSA-N 1 2 195.266 0.939 20 0 ACADLO Cc1n[nH]cc1C[N@@H+]1CCOC[C@H]1C 334377283 346343817 /nfs/dbraw/zinc/34/38/17/346343817.db2.gz FTJCMPAZXKZTGI-MRVPVSSYSA-N 1 2 195.266 0.939 20 0 ACADLO Cc1n[nH]cc1C[N@@H+]1CCO[C@H](C)C1 334592172 346355893 /nfs/dbraw/zinc/35/58/93/346355893.db2.gz CSBMPDDZIIGPLQ-MRVPVSSYSA-N 1 2 195.266 0.939 20 0 ACADLO Cc1n[nH]cc1C[N@H+]1CCO[C@H](C)C1 334592172 346355895 /nfs/dbraw/zinc/35/58/95/346355895.db2.gz CSBMPDDZIIGPLQ-MRVPVSSYSA-N 1 2 195.266 0.939 20 0 ACADLO Cc1cc(C[N@@H+](C)C2CC(O)C2)no1 334606640 346356661 /nfs/dbraw/zinc/35/66/61/346356661.db2.gz SHOKYUYJFHACMK-UHFFFAOYSA-N 1 2 196.250 0.938 20 0 ACADLO Cc1cc(C[N@H+](C)C2CC(O)C2)no1 334606640 346356662 /nfs/dbraw/zinc/35/66/62/346356662.db2.gz SHOKYUYJFHACMK-UHFFFAOYSA-N 1 2 196.250 0.938 20 0 ACADLO Cc1nnc(C[N@@H+](C)C2CC2)n1C 334738585 346362441 /nfs/dbraw/zinc/36/24/41/346362441.db2.gz CPKXLQKZTKXDFV-UHFFFAOYSA-N 1 2 180.255 0.718 20 0 ACADLO Cc1nnc(C[N@H+](C)C2CC2)n1C 334738585 346362439 /nfs/dbraw/zinc/36/24/39/346362439.db2.gz CPKXLQKZTKXDFV-UHFFFAOYSA-N 1 2 180.255 0.718 20 0 ACADLO CC[C@@H](F)C[N@@H+]1CCn2cnnc2C1 334766299 346363040 /nfs/dbraw/zinc/36/30/40/346363040.db2.gz BBKOUVQVKPPFTI-MRVPVSSYSA-N 1 2 198.245 0.842 20 0 ACADLO CC[C@@H](F)C[N@H+]1CCn2cnnc2C1 334766299 346363043 /nfs/dbraw/zinc/36/30/43/346363043.db2.gz BBKOUVQVKPPFTI-MRVPVSSYSA-N 1 2 198.245 0.842 20 0 ACADLO CC[C@H](F)C[N@@H+]1CCn2cnnc2C1 334766301 346363348 /nfs/dbraw/zinc/36/33/48/346363348.db2.gz BBKOUVQVKPPFTI-QMMMGPOBSA-N 1 2 198.245 0.842 20 0 ACADLO CC[C@H](F)C[N@H+]1CCn2cnnc2C1 334766301 346363351 /nfs/dbraw/zinc/36/33/51/346363351.db2.gz BBKOUVQVKPPFTI-QMMMGPOBSA-N 1 2 198.245 0.842 20 0 ACADLO CC(C)NC(=O)C[N@@H+]1CC[C@H](F)C1 334819115 346365453 /nfs/dbraw/zinc/36/54/53/346365453.db2.gz RDJFDYKVLDQHAN-QMMMGPOBSA-N 1 2 188.246 0.555 20 0 ACADLO CC(C)NC(=O)C[N@H+]1CC[C@H](F)C1 334819115 346365455 /nfs/dbraw/zinc/36/54/55/346365455.db2.gz RDJFDYKVLDQHAN-QMMMGPOBSA-N 1 2 188.246 0.555 20 0 ACADLO CN(C)C(=O)C[N@@H+]1CC[C@H](F)C1 334818630 346365589 /nfs/dbraw/zinc/36/55/89/346365589.db2.gz NUGZYCZFZWEVRX-ZETCQYMHSA-N 1 2 174.219 0.118 20 0 ACADLO CN(C)C(=O)C[N@H+]1CC[C@H](F)C1 334818630 346365591 /nfs/dbraw/zinc/36/55/91/346365591.db2.gz NUGZYCZFZWEVRX-ZETCQYMHSA-N 1 2 174.219 0.118 20 0 ACADLO Cc1[nH]ncc1C[N@H+]1CCC[C@H](O)C1 334802291 346365737 /nfs/dbraw/zinc/36/57/37/346365737.db2.gz DTJOAWQBWOVTGJ-JTQLQIEISA-N 1 2 195.266 0.675 20 0 ACADLO CN(C)C(=O)C[N@@H+]1CC[C@@H](F)C1 334818629 346365940 /nfs/dbraw/zinc/36/59/40/346365940.db2.gz NUGZYCZFZWEVRX-SSDOTTSWSA-N 1 2 174.219 0.118 20 0 ACADLO CN(C)C(=O)C[N@H+]1CC[C@@H](F)C1 334818629 346365942 /nfs/dbraw/zinc/36/59/42/346365942.db2.gz NUGZYCZFZWEVRX-SSDOTTSWSA-N 1 2 174.219 0.118 20 0 ACADLO CC(C)NC(=O)C[N@@H+]1CC[C@@H](F)C1 334819111 346365990 /nfs/dbraw/zinc/36/59/90/346365990.db2.gz RDJFDYKVLDQHAN-MRVPVSSYSA-N 1 2 188.246 0.555 20 0 ACADLO CC(C)NC(=O)C[N@H+]1CC[C@@H](F)C1 334819111 346365991 /nfs/dbraw/zinc/36/59/91/346365991.db2.gz RDJFDYKVLDQHAN-MRVPVSSYSA-N 1 2 188.246 0.555 20 0 ACADLO CC(C)[C@H]1CN(C)CC[N@@H+]1CC(N)=O 334839485 346366259 /nfs/dbraw/zinc/36/62/59/346366259.db2.gz YIDGJGXSCYBQPA-SECBINFHSA-N 1 2 199.298 0.794 20 0 ACADLO CC(C)[C@H]1CN(C)CC[N@H+]1CC(N)=O 334839485 346366263 /nfs/dbraw/zinc/36/62/63/346366263.db2.gz YIDGJGXSCYBQPA-SECBINFHSA-N 1 2 199.298 0.794 20 0 ACADLO CC(C)[C@@H]1CN(C)CC[N@@H+]1CC(N)=O 334839487 346366626 /nfs/dbraw/zinc/36/66/26/346366626.db2.gz YIDGJGXSCYBQPA-VIFPVBQESA-N 1 2 199.298 0.794 20 0 ACADLO CC(C)[C@@H]1CN(C)CC[N@H+]1CC(N)=O 334839487 346366631 /nfs/dbraw/zinc/36/66/31/346366631.db2.gz YIDGJGXSCYBQPA-VIFPVBQESA-N 1 2 199.298 0.794 20 0 ACADLO Cc1[nH+]c[nH]c1CC(=O)N(C)C1CC1 334840635 346367377 /nfs/dbraw/zinc/36/73/77/346367377.db2.gz RETAGDPYTONRNF-UHFFFAOYSA-N 1 2 193.250 0.881 20 0 ACADLO CC1=CC[N@H+](Cc2cn(C)nn2)CC1 335033908 346375321 /nfs/dbraw/zinc/37/53/21/346375321.db2.gz KVMQVNSRSCSJLM-UHFFFAOYSA-N 1 2 192.266 0.967 20 0 ACADLO CC1=CC[N@@H+](Cc2cn(C)nn2)CC1 335033908 346375322 /nfs/dbraw/zinc/37/53/22/346375322.db2.gz KVMQVNSRSCSJLM-UHFFFAOYSA-N 1 2 192.266 0.967 20 0 ACADLO CC1=CCC[N@@H+](Cc2ncnn2C)C1 335025092 346375613 /nfs/dbraw/zinc/37/56/13/346375613.db2.gz QCHZPBGQLIJYCB-UHFFFAOYSA-N 1 2 192.266 0.967 20 0 ACADLO CC1=CCC[N@H+](Cc2ncnn2C)C1 335025092 346375615 /nfs/dbraw/zinc/37/56/15/346375615.db2.gz QCHZPBGQLIJYCB-UHFFFAOYSA-N 1 2 192.266 0.967 20 0 ACADLO CCC(=O)N1CC[N@@H+]([C@H]2CCOC2)C1 335118119 346379324 /nfs/dbraw/zinc/37/93/24/346379324.db2.gz PPMYQYCSQHMXQL-VIFPVBQESA-N 1 2 198.266 0.287 20 0 ACADLO CCC(=O)N1CC[N@H+]([C@H]2CCOC2)C1 335118119 346379328 /nfs/dbraw/zinc/37/93/28/346379328.db2.gz PPMYQYCSQHMXQL-VIFPVBQESA-N 1 2 198.266 0.287 20 0 ACADLO CCC(=O)N1CC[N@@H+]([C@@H]2CCOC2)C1 335118117 346379591 /nfs/dbraw/zinc/37/95/91/346379591.db2.gz PPMYQYCSQHMXQL-SECBINFHSA-N 1 2 198.266 0.287 20 0 ACADLO CCC(=O)N1CC[N@H+]([C@@H]2CCOC2)C1 335118117 346379595 /nfs/dbraw/zinc/37/95/95/346379595.db2.gz PPMYQYCSQHMXQL-SECBINFHSA-N 1 2 198.266 0.287 20 0 ACADLO Cc1[nH+]c[nH]c1CC(=O)N1CCCC1 335216423 346383552 /nfs/dbraw/zinc/38/35/52/346383552.db2.gz PXIZUBQYXGESPU-UHFFFAOYSA-N 1 2 193.250 0.883 20 0 ACADLO CC1(C(=O)NCc2c[nH+]c[nH]2)COC1 335342965 346391232 /nfs/dbraw/zinc/39/12/32/346391232.db2.gz PVMGNGAJVHYMRO-UHFFFAOYSA-N 1 2 195.222 0.062 20 0 ACADLO Cc1[nH]ncc1C[N@H+]1CCC[C@H]1CO 335427373 346395964 /nfs/dbraw/zinc/39/59/64/346395964.db2.gz SRCCCHHFGRXJQP-JTQLQIEISA-N 1 2 195.266 0.675 20 0 ACADLO Cc1[nH]ncc1C[N@H+]1CCC[C@@H]1CO 335427374 346395992 /nfs/dbraw/zinc/39/59/92/346395992.db2.gz SRCCCHHFGRXJQP-SNVBAGLBSA-N 1 2 195.266 0.675 20 0 ACADLO Cn1cc(C[N@H+](C)C2CC2)nn1 335540127 346403987 /nfs/dbraw/zinc/40/39/87/346403987.db2.gz XYKGIMBLXNEDHL-UHFFFAOYSA-N 1 2 166.228 0.409 20 0 ACADLO Cn1cc(C[N@@H+](C)C2CC2)nn1 335540127 346403989 /nfs/dbraw/zinc/40/39/89/346403989.db2.gz XYKGIMBLXNEDHL-UHFFFAOYSA-N 1 2 166.228 0.409 20 0 ACADLO Cc1[nH]ncc1C[NH2+][C@H]1CO[C@@H](C)C1 335658519 346411979 /nfs/dbraw/zinc/41/19/79/346411979.db2.gz ZEAISFFCFBYDOK-OIBJUYFYSA-N 1 2 195.266 0.985 20 0 ACADLO Cc1[nH]ncc1C[NH2+][C@@H]1CO[C@H](C)C1 335658520 346411997 /nfs/dbraw/zinc/41/19/97/346411997.db2.gz ZEAISFFCFBYDOK-XCBNKYQSSA-N 1 2 195.266 0.985 20 0 ACADLO Cc1[nH]ncc1C[NH2+][C@@H]1CO[C@@H](C)C1 335658521 346412170 /nfs/dbraw/zinc/41/21/70/346412170.db2.gz ZEAISFFCFBYDOK-XVKPBYJWSA-N 1 2 195.266 0.985 20 0 ACADLO Cc1[nH]ncc1C[NH2+][C@H]1CO[C@H](C)C1 335658518 346412187 /nfs/dbraw/zinc/41/21/87/346412187.db2.gz ZEAISFFCFBYDOK-GMSGAONNSA-N 1 2 195.266 0.985 20 0 ACADLO Cc1[nH]ncc1C[N@H+]1C[C@H](O)C[C@H]1C 335679632 346412843 /nfs/dbraw/zinc/41/28/43/346412843.db2.gz JSCFOHIXQFZQPQ-GMSGAONNSA-N 1 2 195.266 0.673 20 0 ACADLO Cc1[nH]ncc1C[N@@H+]1C[C@H](O)C[C@H]1C 335679632 346412847 /nfs/dbraw/zinc/41/28/47/346412847.db2.gz JSCFOHIXQFZQPQ-GMSGAONNSA-N 1 2 195.266 0.673 20 0 ACADLO Cc1[nH]ncc1C[N@H+]1C[C@@H](O)C[C@H]1C 335679634 346413564 /nfs/dbraw/zinc/41/35/64/346413564.db2.gz JSCFOHIXQFZQPQ-XCBNKYQSSA-N 1 2 195.266 0.673 20 0 ACADLO Cc1[nH]ncc1C[N@@H+]1C[C@@H](O)C[C@H]1C 335679634 346413569 /nfs/dbraw/zinc/41/35/69/346413569.db2.gz JSCFOHIXQFZQPQ-XCBNKYQSSA-N 1 2 195.266 0.673 20 0 ACADLO Cc1[nH]ncc1C[N@H+]1C[C@@H](O)C[C@@H]1C 335679635 346413846 /nfs/dbraw/zinc/41/38/46/346413846.db2.gz JSCFOHIXQFZQPQ-XVKPBYJWSA-N 1 2 195.266 0.673 20 0 ACADLO Cc1[nH]ncc1C[N@@H+]1C[C@@H](O)C[C@@H]1C 335679635 346413848 /nfs/dbraw/zinc/41/38/48/346413848.db2.gz JSCFOHIXQFZQPQ-XVKPBYJWSA-N 1 2 195.266 0.673 20 0 ACADLO Cc1[nH]ncc1C[N@H+]1C[C@H](O)C[C@@H]1C 335679633 346413894 /nfs/dbraw/zinc/41/38/94/346413894.db2.gz JSCFOHIXQFZQPQ-OIBJUYFYSA-N 1 2 195.266 0.673 20 0 ACADLO Cc1[nH]ncc1C[N@@H+]1C[C@H](O)C[C@@H]1C 335679633 346413895 /nfs/dbraw/zinc/41/38/95/346413895.db2.gz JSCFOHIXQFZQPQ-OIBJUYFYSA-N 1 2 195.266 0.673 20 0 ACADLO Cc1n[nH]c(C)c1C[NH+]1CCOCC1 335713814 346415708 /nfs/dbraw/zinc/41/57/08/346415708.db2.gz OTNYTAYEMLQZMF-UHFFFAOYSA-N 1 2 195.266 0.859 20 0 ACADLO Cc1[nH]ncc1C[N@@H+](C)[C@@H]1CCOC1 335732883 346417110 /nfs/dbraw/zinc/41/71/10/346417110.db2.gz JLGMXVIRRYUQFD-SNVBAGLBSA-N 1 2 195.266 0.939 20 0 ACADLO Cc1[nH]ncc1C[N@H+](C)[C@@H]1CCOC1 335732883 346417112 /nfs/dbraw/zinc/41/71/12/346417112.db2.gz JLGMXVIRRYUQFD-SNVBAGLBSA-N 1 2 195.266 0.939 20 0 ACADLO Cc1[nH]ncc1C[N@H+](C)[C@H]1CCOC1 335732882 346417209 /nfs/dbraw/zinc/41/72/09/346417209.db2.gz JLGMXVIRRYUQFD-JTQLQIEISA-N 1 2 195.266 0.939 20 0 ACADLO CNC(=O)C[N@@H+]1CCCC[C@@H]1C(N)=O 335797347 346420302 /nfs/dbraw/zinc/42/03/02/346420302.db2.gz LUJDAMBYGRUCIV-SSDOTTSWSA-N 1 2 199.254 0.122 20 0 ACADLO CNC(=O)C[N@H+]1CCCC[C@@H]1C(N)=O 335797347 346420303 /nfs/dbraw/zinc/42/03/03/346420303.db2.gz LUJDAMBYGRUCIV-SSDOTTSWSA-N 1 2 199.254 0.122 20 0 ACADLO Cc1[nH]ncc1C[N@@H+]1CC[C@@](C)(O)C1 335853592 346423935 /nfs/dbraw/zinc/42/39/35/346423935.db2.gz FJTKHCBQUJWRAT-SNVBAGLBSA-N 1 2 195.266 0.675 20 0 ACADLO Cc1[nH]ncc1C[N@H+]1CC[C@@](C)(O)C1 335853592 346423938 /nfs/dbraw/zinc/42/39/38/346423938.db2.gz FJTKHCBQUJWRAT-SNVBAGLBSA-N 1 2 195.266 0.675 20 0 ACADLO Cc1[nH]ncc1C[N@@H+]1CC[C@](C)(O)C1 335853591 346424252 /nfs/dbraw/zinc/42/42/52/346424252.db2.gz FJTKHCBQUJWRAT-JTQLQIEISA-N 1 2 195.266 0.675 20 0 ACADLO Cc1[nH]ncc1C[N@H+]1CC[C@](C)(O)C1 335853591 346424255 /nfs/dbraw/zinc/42/42/55/346424255.db2.gz FJTKHCBQUJWRAT-JTQLQIEISA-N 1 2 195.266 0.675 20 0 ACADLO CC1(C(=O)NCc2[nH]cc[nH+]2)COC1 335865231 346424871 /nfs/dbraw/zinc/42/48/71/346424871.db2.gz IAFOSWJIEAIKGG-UHFFFAOYSA-N 1 2 195.222 0.062 20 0 ACADLO Cc1cnn(C)c1C[NH+]1CCOCC1 335870307 346424906 /nfs/dbraw/zinc/42/49/06/346424906.db2.gz IIEQZRDNSCJUJQ-UHFFFAOYSA-N 1 2 195.266 0.561 20 0 ACADLO CN(C)C(=O)N1CCn2c[nH+]cc2C1 336007013 346433707 /nfs/dbraw/zinc/43/37/07/346433707.db2.gz DAJFQXDXRZZPSR-UHFFFAOYSA-N 1 2 194.238 0.380 20 0 ACADLO Cc1c(C[NH+]2CCOCC2)cnn1C 336023151 346434136 /nfs/dbraw/zinc/43/41/36/346434136.db2.gz ZFQYAOZKOJWSHH-UHFFFAOYSA-N 1 2 195.266 0.561 20 0 ACADLO C[C@H]1COCCN1Cc1c[nH+]cn1C 336023150 346434322 /nfs/dbraw/zinc/43/43/22/346434322.db2.gz WXYYTNUYMTXKFZ-VIFPVBQESA-N 1 2 195.266 0.641 20 0 ACADLO CC[C@@H](F)C[N@@H+]1CCn2ncnc2C1 336168792 346442016 /nfs/dbraw/zinc/44/20/16/346442016.db2.gz SFEKTXIUHIBWKV-MRVPVSSYSA-N 1 2 198.245 0.842 20 0 ACADLO CC[C@@H](F)C[N@H+]1CCn2ncnc2C1 336168792 346442021 /nfs/dbraw/zinc/44/20/21/346442021.db2.gz SFEKTXIUHIBWKV-MRVPVSSYSA-N 1 2 198.245 0.842 20 0 ACADLO CC[C@H](F)C[N@@H+]1CCn2ncnc2C1 336168793 346442555 /nfs/dbraw/zinc/44/25/55/346442555.db2.gz SFEKTXIUHIBWKV-QMMMGPOBSA-N 1 2 198.245 0.842 20 0 ACADLO CC[C@H](F)C[N@H+]1CCn2ncnc2C1 336168793 346442557 /nfs/dbraw/zinc/44/25/57/346442557.db2.gz SFEKTXIUHIBWKV-QMMMGPOBSA-N 1 2 198.245 0.842 20 0 ACADLO CC1=CC[N@H+](Cc2cnn[nH]2)CC1 336194041 346443911 /nfs/dbraw/zinc/44/39/11/346443911.db2.gz OLBKPTNRDKBKBO-UHFFFAOYSA-N 1 2 178.239 0.957 20 0 ACADLO CC1=CC[N@H+](Cc2c[nH]nn2)CC1 336194041 346443916 /nfs/dbraw/zinc/44/39/16/346443916.db2.gz OLBKPTNRDKBKBO-UHFFFAOYSA-N 1 2 178.239 0.957 20 0 ACADLO CC1=CC[N@@H+](Cc2c[nH]nn2)CC1 336194041 346443917 /nfs/dbraw/zinc/44/39/17/346443917.db2.gz OLBKPTNRDKBKBO-UHFFFAOYSA-N 1 2 178.239 0.957 20 0 ACADLO C[C@H]1CCC[N@@H+]1Cc1cn[nH]n1 336194290 346444324 /nfs/dbraw/zinc/44/43/24/346444324.db2.gz DWDYBOFNYRBMQZ-ZETCQYMHSA-N 1 2 166.228 0.789 20 0 ACADLO C[C@H]1CCC[N@H+]1Cc1cn[nH]n1 336194290 346444325 /nfs/dbraw/zinc/44/43/25/346444325.db2.gz DWDYBOFNYRBMQZ-ZETCQYMHSA-N 1 2 166.228 0.789 20 0 ACADLO C[C@H]1COCC[N@@H+]1Cc1cnn(C)c1 336210121 346444967 /nfs/dbraw/zinc/44/49/67/346444967.db2.gz JVCVTZRVWQYEFJ-VIFPVBQESA-N 1 2 195.266 0.641 20 0 ACADLO C[C@H]1COCC[N@H+]1Cc1cnn(C)c1 336210121 346444971 /nfs/dbraw/zinc/44/49/71/346444971.db2.gz JVCVTZRVWQYEFJ-VIFPVBQESA-N 1 2 195.266 0.641 20 0 ACADLO C[C@H]1C[N@H+](Cc2cnn(C)c2)CCO1 336282211 346451595 /nfs/dbraw/zinc/45/15/95/346451595.db2.gz GVTKRVBXBLCFGA-VIFPVBQESA-N 1 2 195.266 0.641 20 0 ACADLO C[C@H]1C[N@@H+](Cc2cnn(C)c2)CCO1 336282211 346451598 /nfs/dbraw/zinc/45/15/98/346451598.db2.gz GVTKRVBXBLCFGA-VIFPVBQESA-N 1 2 195.266 0.641 20 0 ACADLO CC[C@H](F)C[N@H+]1CC(=O)N[C@H](C)C1 336305091 346453242 /nfs/dbraw/zinc/45/32/42/346453242.db2.gz MDUIXHFIYPMDRV-SFYZADRCSA-N 1 2 188.246 0.555 20 0 ACADLO CC[C@H](F)C[N@@H+]1CC(=O)N[C@H](C)C1 336305091 346453246 /nfs/dbraw/zinc/45/32/46/346453246.db2.gz MDUIXHFIYPMDRV-SFYZADRCSA-N 1 2 188.246 0.555 20 0 ACADLO CC[C@@H](F)C[N@H+]1CC(=O)N[C@@H](C)C1 336305090 346453363 /nfs/dbraw/zinc/45/33/63/346453363.db2.gz MDUIXHFIYPMDRV-JGVFFNPUSA-N 1 2 188.246 0.555 20 0 ACADLO CC[C@@H](F)C[N@@H+]1CC(=O)N[C@@H](C)C1 336305090 346453366 /nfs/dbraw/zinc/45/33/66/346453366.db2.gz MDUIXHFIYPMDRV-JGVFFNPUSA-N 1 2 188.246 0.555 20 0 ACADLO CC[C@@H](F)C[N@H+]1CC(=O)N[C@H](C)C1 336305089 346453467 /nfs/dbraw/zinc/45/34/67/346453467.db2.gz MDUIXHFIYPMDRV-HTQZYQBOSA-N 1 2 188.246 0.555 20 0 ACADLO CC[C@@H](F)C[N@@H+]1CC(=O)N[C@H](C)C1 336305089 346453471 /nfs/dbraw/zinc/45/34/71/346453471.db2.gz MDUIXHFIYPMDRV-HTQZYQBOSA-N 1 2 188.246 0.555 20 0 ACADLO CC[C@H](F)C[N@H+]1CC(=O)N[C@@H](C)C1 336305092 346453708 /nfs/dbraw/zinc/45/37/08/346453708.db2.gz MDUIXHFIYPMDRV-YUMQZZPRSA-N 1 2 188.246 0.555 20 0 ACADLO Cc1[nH]ncc1C[N@@H+]1CCC[C@@H](O)C1 336341780 346456212 /nfs/dbraw/zinc/45/62/12/346456212.db2.gz DTJOAWQBWOVTGJ-SNVBAGLBSA-N 1 2 195.266 0.675 20 0 ACADLO Cc1[nH]ncc1C[N@H+]1CCC[C@@H](O)C1 336341780 346456213 /nfs/dbraw/zinc/45/62/13/346456213.db2.gz DTJOAWQBWOVTGJ-SNVBAGLBSA-N 1 2 195.266 0.675 20 0 ACADLO Cc1nn(C)cc1C[NH+]1CCOCC1 336372933 346459283 /nfs/dbraw/zinc/45/92/83/346459283.db2.gz ZRPFYSATOOEJSF-UHFFFAOYSA-N 1 2 195.266 0.561 20 0 ACADLO Cc1[nH]ncc1C[N@@H+](C)C1CC(O)C1 336398980 346461231 /nfs/dbraw/zinc/46/12/31/346461231.db2.gz LSBXLXPTXHCODY-UHFFFAOYSA-N 1 2 195.266 0.673 20 0 ACADLO Cc1[nH]ncc1C[N@H+](C)C1CC(O)C1 336398980 346461234 /nfs/dbraw/zinc/46/12/34/346461234.db2.gz LSBXLXPTXHCODY-UHFFFAOYSA-N 1 2 195.266 0.673 20 0 ACADLO CNC(=O)NCc1c[nH+]ccc1OC 336518626 346469166 /nfs/dbraw/zinc/46/91/66/346469166.db2.gz JPESKSLOFMFVBS-UHFFFAOYSA-N 1 2 195.222 0.519 20 0 ACADLO CCc1noc(C[NH+](C)C)n1 336553211 346471647 /nfs/dbraw/zinc/47/16/47/346471647.db2.gz AMENGJUOGLXTSW-UHFFFAOYSA-N 1 2 155.201 0.694 20 0 ACADLO Cc1nc(C)n(Cc2c[nH+]cn2C)n1 336553150 346471668 /nfs/dbraw/zinc/47/16/68/346471668.db2.gz JSUSZLSOPZKKKG-UHFFFAOYSA-N 1 2 191.238 0.677 20 0 ACADLO CC(C)[N@H+](C)Cc1nnc[nH]1 336553310 346471774 /nfs/dbraw/zinc/47/17/74/346471774.db2.gz JTJPPJVAJQILIV-UHFFFAOYSA-N 1 2 154.217 0.645 20 0 ACADLO CC(C)[N@@H+](C)Cc1nnc[nH]1 336553310 346471775 /nfs/dbraw/zinc/47/17/75/346471775.db2.gz JTJPPJVAJQILIV-UHFFFAOYSA-N 1 2 154.217 0.645 20 0 ACADLO C[N@H+](Cc1ccon1)[C@@H]1CCOC1 336553666 346472262 /nfs/dbraw/zinc/47/22/62/346472262.db2.gz RKPPONMDSKYWAR-SECBINFHSA-N 1 2 182.223 0.895 20 0 ACADLO C[N@@H+](Cc1ccon1)[C@@H]1CCOC1 336553666 346472265 /nfs/dbraw/zinc/47/22/65/346472265.db2.gz RKPPONMDSKYWAR-SECBINFHSA-N 1 2 182.223 0.895 20 0 ACADLO C[N@H+](Cc1ccon1)[C@H]1CCOC1 336553667 346472436 /nfs/dbraw/zinc/47/24/36/346472436.db2.gz RKPPONMDSKYWAR-VIFPVBQESA-N 1 2 182.223 0.895 20 0 ACADLO C[N@@H+](Cc1ccon1)[C@H]1CCOC1 336553667 346472438 /nfs/dbraw/zinc/47/24/38/346472438.db2.gz RKPPONMDSKYWAR-VIFPVBQESA-N 1 2 182.223 0.895 20 0 ACADLO C[C@H]1COCCN1Cc1[nH+]ccn1C 336554797 346474550 /nfs/dbraw/zinc/47/45/50/346474550.db2.gz RBBMAIJNZKIBMG-VIFPVBQESA-N 1 2 195.266 0.641 20 0 ACADLO Cc1noc(C[N@@H+](C)C2CC2)n1 336555721 346474887 /nfs/dbraw/zinc/47/48/87/346474887.db2.gz DERRXVVUYSIXED-UHFFFAOYSA-N 1 2 167.212 0.972 20 0 ACADLO Cc1noc(C[N@H+](C)C2CC2)n1 336555721 346474888 /nfs/dbraw/zinc/47/48/88/346474888.db2.gz DERRXVVUYSIXED-UHFFFAOYSA-N 1 2 167.212 0.972 20 0 ACADLO Cn1ncnc1C[N@H+](C)C1CC1 336555778 346474993 /nfs/dbraw/zinc/47/49/93/346474993.db2.gz UKWHIQBGZDTGEQ-UHFFFAOYSA-N 1 2 166.228 0.409 20 0 ACADLO Cn1ncnc1C[N@@H+](C)C1CC1 336555778 346474996 /nfs/dbraw/zinc/47/49/96/346474996.db2.gz UKWHIQBGZDTGEQ-UHFFFAOYSA-N 1 2 166.228 0.409 20 0 ACADLO Cn1ncnc1C[N@H+](C)C1CCC1 336631409 346480142 /nfs/dbraw/zinc/48/01/42/346480142.db2.gz JFJLVQWIONJCKI-UHFFFAOYSA-N 1 2 180.255 0.799 20 0 ACADLO Cn1ncnc1C[N@@H+](C)C1CCC1 336631409 346480144 /nfs/dbraw/zinc/48/01/44/346480144.db2.gz JFJLVQWIONJCKI-UHFFFAOYSA-N 1 2 180.255 0.799 20 0 ACADLO Cn1cnnc1C[N@H+](C)C1CCC1 336630439 346480286 /nfs/dbraw/zinc/48/02/86/346480286.db2.gz GOMYQCKWOJHBLO-UHFFFAOYSA-N 1 2 180.255 0.799 20 0 ACADLO Cn1cnnc1C[N@@H+](C)C1CCC1 336630439 346480287 /nfs/dbraw/zinc/48/02/87/346480287.db2.gz GOMYQCKWOJHBLO-UHFFFAOYSA-N 1 2 180.255 0.799 20 0 ACADLO CCC[N@@H+]1C[C@@H](F)C[C@H]1C(=O)OC 378749818 346484106 /nfs/dbraw/zinc/48/41/06/346484106.db2.gz UCVKHOAQNIXABK-YUMQZZPRSA-N 1 2 189.230 0.982 20 0 ACADLO CCC[N@H+]1C[C@@H](F)C[C@H]1C(=O)OC 378749818 346484110 /nfs/dbraw/zinc/48/41/10/346484110.db2.gz UCVKHOAQNIXABK-YUMQZZPRSA-N 1 2 189.230 0.982 20 0 ACADLO CCOCC(C)(C)[NH2+]CC(=O)OC 378791536 346484762 /nfs/dbraw/zinc/48/47/62/346484762.db2.gz MYYJPQLVKZBEEN-UHFFFAOYSA-N 1 2 189.255 0.564 20 0 ACADLO CC[N@H+](CCO)Cc1cnns1 379324470 346496791 /nfs/dbraw/zinc/49/67/91/346496791.db2.gz YYMHVPFLEZRYNC-UHFFFAOYSA-N 1 2 187.268 0.352 20 0 ACADLO CC[N@@H+](CCO)Cc1cnns1 379324470 346496796 /nfs/dbraw/zinc/49/67/96/346496796.db2.gz YYMHVPFLEZRYNC-UHFFFAOYSA-N 1 2 187.268 0.352 20 0 ACADLO CC[NH+](CC)Cc1ncnn1C 379338253 346502864 /nfs/dbraw/zinc/50/28/64/346502864.db2.gz GQHOHHPHRYCAIH-UHFFFAOYSA-N 1 2 168.244 0.657 20 0 ACADLO COC[C@H]([NH2+]CC1CC1)C(=O)OC 379351291 346504360 /nfs/dbraw/zinc/50/43/60/346504360.db2.gz XAFXALUZFDXAJN-QMMMGPOBSA-N 1 2 187.239 0.174 20 0 ACADLO COC[C@@H]([NH2+]CC1CC1)C(=O)OC 379351290 346504434 /nfs/dbraw/zinc/50/44/34/346504434.db2.gz XAFXALUZFDXAJN-MRVPVSSYSA-N 1 2 187.239 0.174 20 0 ACADLO COC(=O)C[N@H+](CCCO)C1CC1 379359230 346506570 /nfs/dbraw/zinc/50/65/70/346506570.db2.gz XSSQRMFDITUNGN-UHFFFAOYSA-N 1 2 187.239 0.006 20 0 ACADLO COC(=O)C[N@@H+](CCCO)C1CC1 379359230 346506572 /nfs/dbraw/zinc/50/65/72/346506572.db2.gz XSSQRMFDITUNGN-UHFFFAOYSA-N 1 2 187.239 0.006 20 0 ACADLO CCC(CC)([NH2+]CCO)C(=O)OC 379371856 346508779 /nfs/dbraw/zinc/50/87/79/346508779.db2.gz IMCBTAHEYOAYPE-UHFFFAOYSA-N 1 2 189.255 0.300 20 0 ACADLO COC(=O)C1([NH2+]CCO)CCCC1 379372540 346508814 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Cn1cnnc1C[N@@H+](C)C1CC1 624480777 347278459 /nfs/dbraw/zinc/27/84/59/347278459.db2.gz ICMKVNHGXITQCW-UHFFFAOYSA-N 1 2 166.228 0.409 20 0 ACADLO CC[N@H+](CCOC)Cc1nncn1C 624482996 347278499 /nfs/dbraw/zinc/27/84/99/347278499.db2.gz RJTVTVROHSZPKO-UHFFFAOYSA-N 1 2 198.270 0.283 20 0 ACADLO CC[N@@H+](CCOC)Cc1nncn1C 624482996 347278500 /nfs/dbraw/zinc/27/85/00/347278500.db2.gz RJTVTVROHSZPKO-UHFFFAOYSA-N 1 2 198.270 0.283 20 0 ACADLO CCn1ccnc1C[N@H+](C)CCOC 624482923 347278569 /nfs/dbraw/zinc/27/85/69/347278569.db2.gz DDBFHVDGKQTMBG-UHFFFAOYSA-N 1 2 197.282 0.981 20 0 ACADLO CCn1ccnc1C[N@@H+](C)CCOC 624482923 347278571 /nfs/dbraw/zinc/27/85/71/347278571.db2.gz DDBFHVDGKQTMBG-UHFFFAOYSA-N 1 2 197.282 0.981 20 0 ACADLO COC[C@@H](C)[N@H+](C)Cc1nncn1C 624482184 347278593 /nfs/dbraw/zinc/27/85/93/347278593.db2.gz HXMZGRXFLXWBTJ-MRVPVSSYSA-N 1 2 198.270 0.282 20 0 ACADLO COC[C@@H](C)[N@@H+](C)Cc1nncn1C 624482184 347278594 /nfs/dbraw/zinc/27/85/94/347278594.db2.gz HXMZGRXFLXWBTJ-MRVPVSSYSA-N 1 2 198.270 0.282 20 0 ACADLO COCC[N@H+](C)Cc1nccn1C 624483015 347279016 /nfs/dbraw/zinc/27/90/16/347279016.db2.gz ZCFBFBUAGBEESY-UHFFFAOYSA-N 1 2 183.255 0.498 20 0 ACADLO COCC[N@@H+](C)Cc1nccn1C 624483015 347279020 /nfs/dbraw/zinc/27/90/20/347279020.db2.gz ZCFBFBUAGBEESY-UHFFFAOYSA-N 1 2 183.255 0.498 20 0 ACADLO O[C@@H]1COCC[C@H]1Nc1cccc[nH+]1 624677811 347280559 /nfs/dbraw/zinc/28/05/59/347280559.db2.gz BHSBQNNUVAZVAV-RKDXNWHRSA-N 1 2 194.234 0.643 20 0 ACADLO COCCNC(=O)CCn1cc[nH+]c1 624728096 347281442 /nfs/dbraw/zinc/28/14/42/347281442.db2.gz PKQDBAWXORULBO-UHFFFAOYSA-N 1 2 197.238 0.036 20 0 ACADLO O=C(CCn1cc[nH+]c1)NCC1CC1 625113525 347283166 /nfs/dbraw/zinc/28/31/66/347283166.db2.gz NUVKLZQIJFRPCL-UHFFFAOYSA-N 1 2 193.250 0.799 20 0 ACADLO c1nnsc1C[N@@H+]1CCCOCC1 625118528 347283182 /nfs/dbraw/zinc/28/31/82/347283182.db2.gz RVQPJINGSPFBES-UHFFFAOYSA-N 1 2 199.279 0.760 20 0 ACADLO c1nnsc1C[N@H+]1CCCOCC1 625118528 347283183 /nfs/dbraw/zinc/28/31/83/347283183.db2.gz RVQPJINGSPFBES-UHFFFAOYSA-N 1 2 199.279 0.760 20 0 ACADLO COCC[N@@H+](C)Cc1cnns1 625108554 347283222 /nfs/dbraw/zinc/28/32/22/347283222.db2.gz RXUUYHAUSLJPSU-UHFFFAOYSA-N 1 2 187.268 0.616 20 0 ACADLO C[N@H+](Cc1cnns1)[C@H]1CCOC1 625156139 347283683 /nfs/dbraw/zinc/28/36/83/347283683.db2.gz VDTYFEJHRJITKW-ZETCQYMHSA-N 1 2 199.279 0.759 20 0 ACADLO C[N@@H+](Cc1cnns1)[C@H]1CCOC1 625156139 347283686 /nfs/dbraw/zinc/28/36/86/347283686.db2.gz VDTYFEJHRJITKW-ZETCQYMHSA-N 1 2 199.279 0.759 20 0 ACADLO CN(C(=O)CCn1cc[nH+]c1)C1CC1 625129189 347283827 /nfs/dbraw/zinc/28/38/27/347283827.db2.gz CPCZRXLSKRVUBJ-UHFFFAOYSA-N 1 2 193.250 0.894 20 0 ACADLO C[N@H+](Cc1cnns1)[C@@H]1CCOC1 625156136 347283978 /nfs/dbraw/zinc/28/39/78/347283978.db2.gz VDTYFEJHRJITKW-SSDOTTSWSA-N 1 2 199.279 0.759 20 0 ACADLO C[N@@H+](Cc1cnns1)[C@@H]1CCOC1 625156136 347283980 /nfs/dbraw/zinc/28/39/80/347283980.db2.gz VDTYFEJHRJITKW-SSDOTTSWSA-N 1 2 199.279 0.759 20 0 ACADLO CC(C)N(C)C(=O)NCc1c[nH]c[nH+]1 625298995 347284450 /nfs/dbraw/zinc/28/44/50/347284450.db2.gz ATPLLYNGSOPZQA-UHFFFAOYSA-N 1 2 196.254 0.960 20 0 ACADLO CC(C)N(C)C(=O)NCc1c[nH+]c[nH]1 625298995 347284446 /nfs/dbraw/zinc/28/44/46/347284446.db2.gz ATPLLYNGSOPZQA-UHFFFAOYSA-N 1 2 196.254 0.960 20 0 ACADLO CO[C@H]1CC[N@H+](Cc2cnns2)C1 625211481 347284575 /nfs/dbraw/zinc/28/45/75/347284575.db2.gz IETWOULBUPZXMF-ZETCQYMHSA-N 1 2 199.279 0.759 20 0 ACADLO CO[C@H]1CC[N@@H+](Cc2cnns2)C1 625211481 347284577 /nfs/dbraw/zinc/28/45/77/347284577.db2.gz IETWOULBUPZXMF-ZETCQYMHSA-N 1 2 199.279 0.759 20 0 ACADLO C[N@H+](Cc1cnns1)C1CC(O)C1 625323897 347285313 /nfs/dbraw/zinc/28/53/13/347285313.db2.gz JCKKVQOOXWIFRK-UHFFFAOYSA-N 1 2 199.279 0.493 20 0 ACADLO C[N@@H+](Cc1cnns1)C1CC(O)C1 625323897 347285314 /nfs/dbraw/zinc/28/53/14/347285314.db2.gz JCKKVQOOXWIFRK-UHFFFAOYSA-N 1 2 199.279 0.493 20 0 ACADLO C[N@H+](Cc1cnns1)C1(CO)CC1 625426530 347286501 /nfs/dbraw/zinc/28/65/01/347286501.db2.gz SFQFQJWEFKUDIC-UHFFFAOYSA-N 1 2 199.279 0.495 20 0 ACADLO C[N@@H+](Cc1cnns1)C1(CO)CC1 625426530 347286503 /nfs/dbraw/zinc/28/65/03/347286503.db2.gz SFQFQJWEFKUDIC-UHFFFAOYSA-N 1 2 199.279 0.495 20 0 ACADLO C[C@@H]1[C@H](O)CC[N@@H+]1Cc1cnns1 625462968 347287416 /nfs/dbraw/zinc/28/74/16/347287416.db2.gz ZJKOEYJQMXJLMU-HTRCEHHLSA-N 1 2 199.279 0.493 20 0 ACADLO C[C@@H]1[C@H](O)CC[N@H+]1Cc1cnns1 625462968 347287419 /nfs/dbraw/zinc/28/74/19/347287419.db2.gz ZJKOEYJQMXJLMU-HTRCEHHLSA-N 1 2 199.279 0.493 20 0 ACADLO C[N@@H+](Cc1cnn[nH]1)CC1(C)COC1 625792776 347292474 /nfs/dbraw/zinc/29/24/74/347292474.db2.gz XOJKPJIQJGFKML-UHFFFAOYSA-N 1 2 196.254 0.273 20 0 ACADLO C[N@H+](Cc1c[nH]nn1)CC1(C)COC1 625792776 347292475 /nfs/dbraw/zinc/29/24/75/347292475.db2.gz XOJKPJIQJGFKML-UHFFFAOYSA-N 1 2 196.254 0.273 20 0 ACADLO C[N@@H+](Cc1c[nH]nn1)CC1(C)COC1 625792776 347292477 /nfs/dbraw/zinc/29/24/77/347292477.db2.gz XOJKPJIQJGFKML-UHFFFAOYSA-N 1 2 196.254 0.273 20 0 ACADLO C[N@H+](Cc1cn[nH]n1)CC1(C)COC1 625792776 347292480 /nfs/dbraw/zinc/29/24/80/347292480.db2.gz XOJKPJIQJGFKML-UHFFFAOYSA-N 1 2 196.254 0.273 20 0 ACADLO C[N@@H+](Cc1cn[nH]n1)CC1(C)COC1 625792776 347292482 /nfs/dbraw/zinc/29/24/82/347292482.db2.gz XOJKPJIQJGFKML-UHFFFAOYSA-N 1 2 196.254 0.273 20 0 ACADLO Cn1cnnc1C[NH+](C1CC1)C1CC1 625840594 347292772 /nfs/dbraw/zinc/29/27/72/347292772.db2.gz RXJCSSYZGUSCFP-UHFFFAOYSA-N 1 2 192.266 0.942 20 0 ACADLO Cn1nnnc1C[NH+](C1CC1)C1CC1 625837932 347293044 /nfs/dbraw/zinc/29/30/44/347293044.db2.gz RMXYNLSGSFUBSZ-UHFFFAOYSA-N 1 2 193.254 0.337 20 0 ACADLO O=c1[nH]nc(C[NH+](C2CC2)C2CC2)[nH]1 625843551 347293507 /nfs/dbraw/zinc/29/35/07/347293507.db2.gz YDRNRPBTQUOWGU-UHFFFAOYSA-N 1 2 194.238 0.637 20 0 ACADLO Cn1cc(C[NH+](C2CC2)C2CC2)nn1 625843476 347293770 /nfs/dbraw/zinc/29/37/70/347293770.db2.gz WAKFVEFPUSGEBF-UHFFFAOYSA-N 1 2 192.266 0.942 20 0 ACADLO NC(=O)[C@@H]1CCC[N@H+]1Cc1ccno1 625871012 347294535 /nfs/dbraw/zinc/29/45/35/347294535.db2.gz NADZSZHUROHCAN-QMMMGPOBSA-N 1 2 195.222 0.124 20 0 ACADLO NC(=O)[C@@H]1CCC[N@@H+]1Cc1ccno1 625871012 347294534 /nfs/dbraw/zinc/29/45/34/347294534.db2.gz NADZSZHUROHCAN-QMMMGPOBSA-N 1 2 195.222 0.124 20 0 ACADLO C[N@H+](CC(F)F)[C@H]1C[C@@H](C(N)=O)C1 626037845 347295670 /nfs/dbraw/zinc/29/56/70/347295670.db2.gz GRLOTEHOYOCYQU-OLQVQODUSA-N 1 2 192.209 0.447 20 0 ACADLO C[N@@H+](CC(F)F)[C@H]1C[C@@H](C(N)=O)C1 626037845 347295672 /nfs/dbraw/zinc/29/56/72/347295672.db2.gz GRLOTEHOYOCYQU-OLQVQODUSA-N 1 2 192.209 0.447 20 0 ACADLO C[N@H+](CC(F)F)C[C@H]1C[C@@H](O)C1 626044145 347296280 /nfs/dbraw/zinc/29/62/80/347296280.db2.gz RENHEFIWQVBTSC-KNVOCYPGSA-N 1 2 179.210 0.954 20 0 ACADLO C[N@@H+](CC(F)F)C[C@H]1C[C@@H](O)C1 626044145 347296283 /nfs/dbraw/zinc/29/62/83/347296283.db2.gz RENHEFIWQVBTSC-KNVOCYPGSA-N 1 2 179.210 0.954 20 0 ACADLO C[N@@H+](Cc1cnn[nH]1)C[C@H]1C[C@@H](O)C1 626046588 347296683 /nfs/dbraw/zinc/29/66/83/347296683.db2.gz KBBSZRMCOHRZIZ-OTSSQURYSA-N 1 2 196.254 0.007 20 0 ACADLO C[N@H+](Cc1cnn[nH]1)C[C@H]1C[C@@H](O)C1 626046588 347296686 /nfs/dbraw/zinc/29/66/86/347296686.db2.gz KBBSZRMCOHRZIZ-OTSSQURYSA-N 1 2 196.254 0.007 20 0 ACADLO C[N@@H+](Cc1c[nH]nn1)C[C@H]1C[C@@H](O)C1 626046588 347296688 /nfs/dbraw/zinc/29/66/88/347296688.db2.gz KBBSZRMCOHRZIZ-OTSSQURYSA-N 1 2 196.254 0.007 20 0 ACADLO C[N@H+](Cc1c[nH]nn1)C[C@H]1C[C@@H](O)C1 626046588 347296689 /nfs/dbraw/zinc/29/66/89/347296689.db2.gz KBBSZRMCOHRZIZ-OTSSQURYSA-N 1 2 196.254 0.007 20 0 ACADLO C[N@@H+](Cc1cn[nH]n1)C[C@H]1C[C@@H](O)C1 626046588 347296694 /nfs/dbraw/zinc/29/66/94/347296694.db2.gz KBBSZRMCOHRZIZ-OTSSQURYSA-N 1 2 196.254 0.007 20 0 ACADLO C[N@H+](Cc1cn[nH]n1)C[C@H]1C[C@@H](O)C1 626046588 347296697 /nfs/dbraw/zinc/29/66/97/347296697.db2.gz KBBSZRMCOHRZIZ-OTSSQURYSA-N 1 2 196.254 0.007 20 0 ACADLO Cc1c[nH]c(CN2CCO[C@H](C)C2)[nH+]1 628126730 347306861 /nfs/dbraw/zinc/30/68/61/347306861.db2.gz FHEDBFXRHGBHLB-SECBINFHSA-N 1 2 195.266 0.939 20 0 ACADLO Cc1[nH]c(CN(C)CCO)[nH+]c1C 628118665 347307078 /nfs/dbraw/zinc/30/70/78/347307078.db2.gz CSBHMRCKXTXUGA-UHFFFAOYSA-N 1 2 183.255 0.451 20 0 ACADLO Cc1nc(C[N@H+](C)CCO)[nH]c1C 628118665 347307079 /nfs/dbraw/zinc/30/70/79/347307079.db2.gz CSBHMRCKXTXUGA-UHFFFAOYSA-N 1 2 183.255 0.451 20 0 ACADLO Cc1nc(C[N@@H+](C)CCO)[nH]c1C 628118665 347307080 /nfs/dbraw/zinc/30/70/80/347307080.db2.gz CSBHMRCKXTXUGA-UHFFFAOYSA-N 1 2 183.255 0.451 20 0 ACADLO Cc1c[nH]c(C[N@@H+]2CCC[C@@H](O)C2)n1 628119229 347307092 /nfs/dbraw/zinc/30/70/92/347307092.db2.gz IBEPDSIWGPOJME-SECBINFHSA-N 1 2 195.266 0.675 20 0 ACADLO Cc1c[nH]c(C[N@H+]2CCC[C@@H](O)C2)n1 628119229 347307093 /nfs/dbraw/zinc/30/70/93/347307093.db2.gz IBEPDSIWGPOJME-SECBINFHSA-N 1 2 195.266 0.675 20 0 ACADLO Cc1c[nH]c(CN2CCO[C@@H](C)C2)[nH+]1 628126731 347307099 /nfs/dbraw/zinc/30/70/99/347307099.db2.gz FHEDBFXRHGBHLB-VIFPVBQESA-N 1 2 195.266 0.939 20 0 ACADLO COCC[N@H+](C)Cc1nc(C)c[nH]1 628129435 347307108 /nfs/dbraw/zinc/30/71/08/347307108.db2.gz ASHZBIUWRWOLOC-UHFFFAOYSA-N 1 2 183.255 0.796 20 0 ACADLO COCC[N@@H+](C)Cc1nc(C)c[nH]1 628129435 347307109 /nfs/dbraw/zinc/30/71/09/347307109.db2.gz ASHZBIUWRWOLOC-UHFFFAOYSA-N 1 2 183.255 0.796 20 0 ACADLO CC[N@H+](CCO)Cc1nc(C)c(C)[nH]1 628119221 347307133 /nfs/dbraw/zinc/30/71/33/347307133.db2.gz HSGTUDLEBISIQX-UHFFFAOYSA-N 1 2 197.282 0.841 20 0 ACADLO CC[N@@H+](CCO)Cc1nc(C)c(C)[nH]1 628119221 347307134 /nfs/dbraw/zinc/30/71/34/347307134.db2.gz HSGTUDLEBISIQX-UHFFFAOYSA-N 1 2 197.282 0.841 20 0 ACADLO CCN(CCO)Cc1[nH]c(C)c(C)[nH+]1 628119221 347307135 /nfs/dbraw/zinc/30/71/35/347307135.db2.gz HSGTUDLEBISIQX-UHFFFAOYSA-N 1 2 197.282 0.841 20 0 ACADLO CC[N@H+](CCO)Cc1nc(C)c[nH]1 628119293 347307143 /nfs/dbraw/zinc/30/71/43/347307143.db2.gz LVLJJVOHEDKSBY-UHFFFAOYSA-N 1 2 183.255 0.532 20 0 ACADLO CC[N@@H+](CCO)Cc1nc(C)c[nH]1 628119293 347307144 /nfs/dbraw/zinc/30/71/44/347307144.db2.gz LVLJJVOHEDKSBY-UHFFFAOYSA-N 1 2 183.255 0.532 20 0 ACADLO Cc1c[nH]c(C[N@H+](C)CCO)n1 628118734 347307160 /nfs/dbraw/zinc/30/71/60/347307160.db2.gz HMNRWOBNFVJCLG-UHFFFAOYSA-N 1 2 169.228 0.142 20 0 ACADLO Cc1c[nH]c(C[N@@H+](C)CCO)n1 628118734 347307161 /nfs/dbraw/zinc/30/71/61/347307161.db2.gz HMNRWOBNFVJCLG-UHFFFAOYSA-N 1 2 169.228 0.142 20 0 ACADLO Cc1c[nH]c(C[NH+]2CCC(O)CC2)n1 628120165 347307192 /nfs/dbraw/zinc/30/71/92/347307192.db2.gz AQUNCNFIIIGYCA-UHFFFAOYSA-N 1 2 195.266 0.675 20 0 ACADLO Cc1c[nH]c(C[N@@H+]2CCC[C@H](O)C2)n1 628119230 347307204 /nfs/dbraw/zinc/30/72/04/347307204.db2.gz IBEPDSIWGPOJME-VIFPVBQESA-N 1 2 195.266 0.675 20 0 ACADLO Cc1c[nH]c(C[N@H+]2CCC[C@H](O)C2)n1 628119230 347307205 /nfs/dbraw/zinc/30/72/05/347307205.db2.gz IBEPDSIWGPOJME-VIFPVBQESA-N 1 2 195.266 0.675 20 0 ACADLO Cc1c[nH]c(C[N@H+](CCO)C2CC2)n1 628135267 347307916 /nfs/dbraw/zinc/30/79/16/347307916.db2.gz QSEYIPBIWYIEJS-UHFFFAOYSA-N 1 2 195.266 0.675 20 0 ACADLO Cc1c[nH]c(C[N@@H+](CCO)C2CC2)n1 628135267 347307918 /nfs/dbraw/zinc/30/79/18/347307918.db2.gz QSEYIPBIWYIEJS-UHFFFAOYSA-N 1 2 195.266 0.675 20 0 ACADLO Cc1c[nH]c(C[N@@H+]2CCCOCC2)n1 628146642 347308005 /nfs/dbraw/zinc/30/80/05/347308005.db2.gz VEUKOPZGEVAEDH-UHFFFAOYSA-N 1 2 195.266 0.940 20 0 ACADLO Cc1c[nH]c(C[N@H+]2CCCOCC2)n1 628146642 347308008 /nfs/dbraw/zinc/30/80/08/347308008.db2.gz VEUKOPZGEVAEDH-UHFFFAOYSA-N 1 2 195.266 0.940 20 0 ACADLO Cc1nc(C[N@@H+]2CC[C@H](O)C2)[nH]c1C 628137487 347308279 /nfs/dbraw/zinc/30/82/79/347308279.db2.gz IBQYQDHIHAWGTB-VIFPVBQESA-N 1 2 195.266 0.593 20 0 ACADLO Cc1nc(C[N@H+]2CC[C@H](O)C2)[nH]c1C 628137487 347308283 /nfs/dbraw/zinc/30/82/83/347308283.db2.gz IBQYQDHIHAWGTB-VIFPVBQESA-N 1 2 195.266 0.593 20 0 ACADLO Cc1[nH]c(CN2CC[C@H](O)C2)[nH+]c1C 628137487 347308284 /nfs/dbraw/zinc/30/82/84/347308284.db2.gz IBQYQDHIHAWGTB-VIFPVBQESA-N 1 2 195.266 0.593 20 0 ACADLO Cc1c[nH]c(C[N@@H+](C)CC[C@@H](C)O)n1 628178660 347308819 /nfs/dbraw/zinc/30/88/19/347308819.db2.gz XBNOPZBUJHJJSL-SECBINFHSA-N 1 2 197.282 0.921 20 0 ACADLO Cc1c[nH]c(C[N@H+](C)CC[C@@H](C)O)n1 628178660 347308822 /nfs/dbraw/zinc/30/88/22/347308822.db2.gz XBNOPZBUJHJJSL-SECBINFHSA-N 1 2 197.282 0.921 20 0 ACADLO Cc1c[nH]c(C[N@@H+](C)CC[C@H](C)O)n1 628178661 347309594 /nfs/dbraw/zinc/30/95/94/347309594.db2.gz XBNOPZBUJHJJSL-VIFPVBQESA-N 1 2 197.282 0.921 20 0 ACADLO Cc1c[nH]c(C[N@H+](C)CC[C@H](C)O)n1 628178661 347309596 /nfs/dbraw/zinc/30/95/96/347309596.db2.gz XBNOPZBUJHJJSL-VIFPVBQESA-N 1 2 197.282 0.921 20 0 ACADLO Cc1c[nH]c(C[N@@H+](C)C2CC(O)C2)n1 628238751 347312739 /nfs/dbraw/zinc/31/27/39/347312739.db2.gz LZPJCIOKHHFJFM-UHFFFAOYSA-N 1 2 195.266 0.673 20 0 ACADLO Cc1c[nH]c(C[N@H+](C)C2CC(O)C2)n1 628238751 347312742 /nfs/dbraw/zinc/31/27/42/347312742.db2.gz LZPJCIOKHHFJFM-UHFFFAOYSA-N 1 2 195.266 0.673 20 0 ACADLO Cc1nc(C[N@@H+](C)C[C@@H](C)O)[nH]c1C 628238044 347312778 /nfs/dbraw/zinc/31/27/78/347312778.db2.gz JJKIIFBYAJUALQ-SSDOTTSWSA-N 1 2 197.282 0.839 20 0 ACADLO Cc1nc(C[N@H+](C)C[C@@H](C)O)[nH]c1C 628238044 347312781 /nfs/dbraw/zinc/31/27/81/347312781.db2.gz JJKIIFBYAJUALQ-SSDOTTSWSA-N 1 2 197.282 0.839 20 0 ACADLO Cc1[nH]c(CN(C)C[C@@H](C)O)[nH+]c1C 628238044 347312782 /nfs/dbraw/zinc/31/27/82/347312782.db2.gz JJKIIFBYAJUALQ-SSDOTTSWSA-N 1 2 197.282 0.839 20 0 ACADLO Cc1nc(C[N@@H+](C)C[C@H](C)O)[nH]c1C 628238045 347313002 /nfs/dbraw/zinc/31/30/02/347313002.db2.gz JJKIIFBYAJUALQ-ZETCQYMHSA-N 1 2 197.282 0.839 20 0 ACADLO Cc1nc(C[N@H+](C)C[C@H](C)O)[nH]c1C 628238045 347313003 /nfs/dbraw/zinc/31/30/03/347313003.db2.gz JJKIIFBYAJUALQ-ZETCQYMHSA-N 1 2 197.282 0.839 20 0 ACADLO Cc1[nH]c(CN(C)C[C@H](C)O)[nH+]c1C 628238045 347313005 /nfs/dbraw/zinc/31/30/05/347313005.db2.gz JJKIIFBYAJUALQ-ZETCQYMHSA-N 1 2 197.282 0.839 20 0 ACADLO Cc1c[nH]c(CN2CCOC[C@H]2C)[nH+]1 628252613 347313009 /nfs/dbraw/zinc/31/30/09/347313009.db2.gz AUXFBSZJENBVPO-SECBINFHSA-N 1 2 195.266 0.939 20 0 ACADLO Cc1nc(C[N@H+](C)CCCO)[nH]c1C 628262052 347313642 /nfs/dbraw/zinc/31/36/42/347313642.db2.gz VPDFDPGVHJAACD-UHFFFAOYSA-N 1 2 197.282 0.841 20 0 ACADLO Cc1nc(C[N@@H+](C)CCCO)[nH]c1C 628262052 347313645 /nfs/dbraw/zinc/31/36/45/347313645.db2.gz VPDFDPGVHJAACD-UHFFFAOYSA-N 1 2 197.282 0.841 20 0 ACADLO Cc1[nH]c(CN(C)CCCO)[nH+]c1C 628262052 347313647 /nfs/dbraw/zinc/31/36/47/347313647.db2.gz VPDFDPGVHJAACD-UHFFFAOYSA-N 1 2 197.282 0.841 20 0 ACADLO Cc1c[nH]c(C[N@@H+](C)CCC(N)=O)n1 628275560 347314114 /nfs/dbraw/zinc/31/41/14/347314114.db2.gz RQLAKOWYMAWHLQ-UHFFFAOYSA-N 1 2 196.254 0.025 20 0 ACADLO Cc1c[nH]c(C[N@H+](C)CCCO)n1 628262029 347313751 /nfs/dbraw/zinc/31/37/51/347313751.db2.gz USRZZGLWPCRZOC-UHFFFAOYSA-N 1 2 183.255 0.532 20 0 ACADLO Cc1c[nH]c(C[N@@H+](C)CCCO)n1 628262029 347313753 /nfs/dbraw/zinc/31/37/53/347313753.db2.gz USRZZGLWPCRZOC-UHFFFAOYSA-N 1 2 183.255 0.532 20 0 ACADLO Cc1c[nH]c(C[N@@H+](C)[C@H](C)CO)n1 628279191 347313925 /nfs/dbraw/zinc/31/39/25/347313925.db2.gz ZDMDKIZHGKLEQJ-MRVPVSSYSA-N 1 2 183.255 0.531 20 0 ACADLO Cc1c[nH]c(C[N@H+](C)[C@H](C)CO)n1 628279191 347313928 /nfs/dbraw/zinc/31/39/28/347313928.db2.gz ZDMDKIZHGKLEQJ-MRVPVSSYSA-N 1 2 183.255 0.531 20 0 ACADLO COC1(C)CN(Cc2[nH]cc(C)[nH+]2)C1 628281374 347313973 /nfs/dbraw/zinc/31/39/73/347313973.db2.gz UDJSRPHHGJADPG-UHFFFAOYSA-N 1 2 195.266 0.939 20 0 ACADLO Cc1c[nH]c(CN2CCOC[C@@H]2C)[nH+]1 628297519 347314048 /nfs/dbraw/zinc/31/40/48/347314048.db2.gz AUXFBSZJENBVPO-VIFPVBQESA-N 1 2 195.266 0.939 20 0 ACADLO Cc1nc(C[N@@H+](C)[C@H](C)CO)[nH]c1C 628278775 347314067 /nfs/dbraw/zinc/31/40/67/347314067.db2.gz HDGLSPIRQLGEJF-SSDOTTSWSA-N 1 2 197.282 0.839 20 0 ACADLO Cc1nc(C[N@H+](C)[C@H](C)CO)[nH]c1C 628278775 347314070 /nfs/dbraw/zinc/31/40/70/347314070.db2.gz HDGLSPIRQLGEJF-SSDOTTSWSA-N 1 2 197.282 0.839 20 0 ACADLO Cc1[nH]c(CN(C)[C@H](C)CO)[nH+]c1C 628278775 347314073 /nfs/dbraw/zinc/31/40/73/347314073.db2.gz HDGLSPIRQLGEJF-SSDOTTSWSA-N 1 2 197.282 0.839 20 0 ACADLO Cc1c[nH]c(C[N@H+](C)CCC(N)=O)n1 628275560 347314109 /nfs/dbraw/zinc/31/41/09/347314109.db2.gz RQLAKOWYMAWHLQ-UHFFFAOYSA-N 1 2 196.254 0.025 20 0 ACADLO CCOC1CN(Cc2[nH]cc(C)[nH+]2)C1 628305979 347314518 /nfs/dbraw/zinc/31/45/18/347314518.db2.gz HLCADFRAOYCYEU-UHFFFAOYSA-N 1 2 195.266 0.939 20 0 ACADLO Cc1c[nH]c(C[N@@H+](C)C2(CO)CC2)n1 628353169 347315851 /nfs/dbraw/zinc/31/58/51/347315851.db2.gz KKKFGELCXREKCQ-UHFFFAOYSA-N 1 2 195.266 0.675 20 0 ACADLO Cc1c[nH]c(C[N@H+](C)C2(CO)CC2)n1 628353169 347315855 /nfs/dbraw/zinc/31/58/55/347315855.db2.gz KKKFGELCXREKCQ-UHFFFAOYSA-N 1 2 195.266 0.675 20 0 ACADLO Cc1c[nH]c(C[NH2+]C2(C)COC2)n1 630072258 347359120 /nfs/dbraw/zinc/35/91/20/347359120.db2.gz DCAYQMJQPPUPOC-UHFFFAOYSA-N 1 2 181.239 0.597 20 0 ACADLO OC[C@H]1C[C@@H]([NH2+]Cc2ccn[nH]2)C1 631199267 347379412 /nfs/dbraw/zinc/37/94/12/347379412.db2.gz QDUWTOGGACIMQH-OTSSQURYSA-N 1 2 181.239 0.270 20 0 ACADLO Cc1[nH]ncc1C[NH2+][C@H]1C[C@@H](CO)C1 631198792 347379495 /nfs/dbraw/zinc/37/94/95/347379495.db2.gz MAADCGMYMRKQIH-WAAGHKOSSA-N 1 2 195.266 0.579 20 0 ACADLO O=C(NCc1[nH]cc[nH+]1)C1CSC1 631239447 347380228 /nfs/dbraw/zinc/38/02/28/347380228.db2.gz SHJWCLYYFFRVCE-UHFFFAOYSA-N 1 2 197.263 0.389 20 0 ACADLO COCC1CN(c2cc(C)[nH+]cn2)C1 631333607 347380836 /nfs/dbraw/zinc/38/08/36/347380836.db2.gz KLADSKHOKKAMEL-UHFFFAOYSA-N 1 2 193.250 0.868 20 0 ACADLO COCC1CN(c2cc[nH+]c(C)n2)C1 631333623 347380971 /nfs/dbraw/zinc/38/09/71/347380971.db2.gz KVBFMFKQRMLOBX-UHFFFAOYSA-N 1 2 193.250 0.868 20 0 ACADLO O=C(NCc1c[nH+]c[nH]1)C1CSC1 631413338 347382198 /nfs/dbraw/zinc/38/21/98/347382198.db2.gz GOPLRYXMYCAPGH-UHFFFAOYSA-N 1 2 197.263 0.389 20 0 ACADLO O=C(NCc1c[nH]c[nH+]1)C1CSC1 631413338 347382199 /nfs/dbraw/zinc/38/21/99/347382199.db2.gz GOPLRYXMYCAPGH-UHFFFAOYSA-N 1 2 197.263 0.389 20 0 ACADLO Cc1nc(N[C@H]2C[C@@H](CO)C2)cc[nH+]1 631427770 347382261 /nfs/dbraw/zinc/38/22/61/347382261.db2.gz MQGZOHZWNYUJBD-DTORHVGOSA-N 1 2 193.250 0.968 20 0 ACADLO Cc1cc(N[C@H]2C[C@@H](CO)C2)nc[nH+]1 631425627 347382285 /nfs/dbraw/zinc/38/22/85/347382285.db2.gz JCCWNFWUEUUMSX-DTORHVGOSA-N 1 2 193.250 0.968 20 0 ACADLO O[C@@H]1CCOC[C@H]1Nc1cccc[nH+]1 631530228 347382895 /nfs/dbraw/zinc/38/28/95/347382895.db2.gz WBZJQJVMSCGKLU-RKDXNWHRSA-N 1 2 194.234 0.643 20 0 ACADLO CC(C)N(C)C(=O)NCc1[nH]cc[nH+]1 632143485 347394368 /nfs/dbraw/zinc/39/43/68/347394368.db2.gz WOBCHZNLWJXGFZ-UHFFFAOYSA-N 1 2 196.254 0.960 20 0 ACADLO CNC(=O)N[C@H]1CCc2[nH+]ccn2C1 632156121 347394495 /nfs/dbraw/zinc/39/44/95/347394495.db2.gz QLXCBPHDEYZGGZ-ZETCQYMHSA-N 1 2 194.238 0.127 20 0 ACADLO CNC(=O)N[C@@H]1CCc2[nH+]ccn2C1 632156120 347394598 /nfs/dbraw/zinc/39/45/98/347394598.db2.gz QLXCBPHDEYZGGZ-SSDOTTSWSA-N 1 2 194.238 0.127 20 0 ACADLO CNC(=O)N[C@H]1C[C@H](C)n2cc[nH+]c21 632417201 347395783 /nfs/dbraw/zinc/39/57/83/347395783.db2.gz DEFSQQPNYMNGRB-BQBZGAKWSA-N 1 2 194.238 0.818 20 0 ACADLO CNC(=O)N[C@@H]1C[C@@H](C)n2cc[nH+]c21 632417203 347395867 /nfs/dbraw/zinc/39/58/67/347395867.db2.gz DEFSQQPNYMNGRB-RNFRBKRXSA-N 1 2 194.238 0.818 20 0 ACADLO CNC(=O)N[C@H]1C[C@@H](C)n2cc[nH+]c21 632417204 347395990 /nfs/dbraw/zinc/39/59/90/347395990.db2.gz DEFSQQPNYMNGRB-RQJHMYQMSA-N 1 2 194.238 0.818 20 0 ACADLO CNC(=O)N[C@@H]1C[C@H](C)n2cc[nH+]c21 632417202 347396023 /nfs/dbraw/zinc/39/60/23/347396023.db2.gz DEFSQQPNYMNGRB-NKWVEPMBSA-N 1 2 194.238 0.818 20 0 ACADLO CCn1cc[nH+]c1[C@H](C)NC(=O)CO 633287517 347401492 /nfs/dbraw/zinc/40/14/92/347401492.db2.gz HZBHBSDDVNOQEY-ZETCQYMHSA-N 1 2 197.238 0.073 20 0 ACADLO CCn1cc[nH+]c1[C@@H](C)NC(=O)CO 633287516 347401642 /nfs/dbraw/zinc/40/16/42/347401642.db2.gz HZBHBSDDVNOQEY-SSDOTTSWSA-N 1 2 197.238 0.073 20 0 ACADLO FC(F)C[N@H+]1C[C@H]2COC[C@H]2C1 634780044 347428191 /nfs/dbraw/zinc/42/81/91/347428191.db2.gz QIZRJBZNTCRKSH-KNVOCYPGSA-N 1 2 177.194 0.830 20 0 ACADLO FC(F)C[N@@H+]1C[C@H]2COC[C@H]2C1 634780044 347428194 /nfs/dbraw/zinc/42/81/94/347428194.db2.gz QIZRJBZNTCRKSH-KNVOCYPGSA-N 1 2 177.194 0.830 20 0 ACADLO CC[C@H]([NH2+]Cc1ccon1)C(=O)NC 634983346 347430740 /nfs/dbraw/zinc/43/07/40/347430740.db2.gz LIJKOFPEHUCYBM-QMMMGPOBSA-N 1 2 197.238 0.289 20 0 ACADLO CC[C@@H]([NH2+]Cc1ccon1)C(=O)NC 634983345 347431375 /nfs/dbraw/zinc/43/13/75/347431375.db2.gz LIJKOFPEHUCYBM-MRVPVSSYSA-N 1 2 197.238 0.289 20 0 ACADLO OC/C=C/C[NH2+]Cc1ccon1 634986594 347431602 /nfs/dbraw/zinc/43/16/02/347431602.db2.gz ZGPFYNWRBMHGBP-OWOJBTEDSA-N 1 2 168.196 0.313 20 0 ACADLO CO[C@@H]1COC[C@@H]1[NH2+]Cc1ccon1 634984468 347431658 /nfs/dbraw/zinc/43/16/58/347431658.db2.gz SHPYGZXITNKZLI-DTWKUNHWSA-N 1 2 198.222 0.178 20 0 ACADLO OC/C=C\C[NH2+]Cc1ccon1 634986595 347431702 /nfs/dbraw/zinc/43/17/02/347431702.db2.gz ZGPFYNWRBMHGBP-UPHRSURJSA-N 1 2 168.196 0.313 20 0 ACADLO CO[C@@]1(C)C[C@H]1[NH2+]Cc1ccon1 634986771 347431763 /nfs/dbraw/zinc/43/17/63/347431763.db2.gz DGFFDXZTMPSKCL-BDAKNGLRSA-N 1 2 182.223 0.942 20 0 ACADLO Cc1nnc(NC(=O)[C@@H](C)[NH+](C)C)[nH]1 635511937 347443183 /nfs/dbraw/zinc/44/31/83/347443183.db2.gz PMSSCWOEDVCWAG-RXMQYKEDSA-N 1 2 197.242 0.002 20 0 ACADLO O=c1ccc(C[NH+]2CCOCC2)c[nH]1 637811290 347463536 /nfs/dbraw/zinc/46/35/36/347463536.db2.gz OUKTYJJHPALZHT-UHFFFAOYSA-N 1 2 194.234 0.619 20 0 ACADLO CCCn1cc(C[N@H+](C)CCO)nn1 637831996 347465226 /nfs/dbraw/zinc/46/52/26/347465226.db2.gz DIUVVVBMRNRXEO-UHFFFAOYSA-N 1 2 198.270 0.112 20 0 ACADLO CCCn1cc(C[N@@H+](C)CCO)nn1 637831996 347465229 /nfs/dbraw/zinc/46/52/29/347465229.db2.gz DIUVVVBMRNRXEO-UHFFFAOYSA-N 1 2 198.270 0.112 20 0 ACADLO CC[N@H+](CC(N)=O)Cc1ccns1 639097006 347501352 /nfs/dbraw/zinc/50/13/52/347501352.db2.gz IAXJONVXSFHIBI-UHFFFAOYSA-N 1 2 199.279 0.450 20 0 ACADLO CC[N@@H+](CC(N)=O)Cc1ccns1 639097006 347501354 /nfs/dbraw/zinc/50/13/54/347501354.db2.gz IAXJONVXSFHIBI-UHFFFAOYSA-N 1 2 199.279 0.450 20 0 ACADLO C[C@H](Cn1cncn1)[NH2+]CC(F)F 639163512 347503246 /nfs/dbraw/zinc/50/32/46/347503246.db2.gz WSVOALZPZUSXKD-ZCFIWIBFSA-N 1 2 190.197 0.521 20 0 ACADLO CCn1ncnc1C[NH2+][C@H](C)CF 639182583 347503715 /nfs/dbraw/zinc/50/37/15/347503715.db2.gz HKWPFZULXCBQQW-SSDOTTSWSA-N 1 2 186.234 0.746 20 0 ACADLO C[C@@H](CF)[NH2+]Cc1ncnn1C 639182278 347503847 /nfs/dbraw/zinc/50/38/47/347503847.db2.gz DVEBLTNJULVSIQ-LURJTMIESA-N 1 2 172.207 0.263 20 0 ACADLO C[C@H](CF)[NH2+]Cc1ncnn1C 639182279 347503873 /nfs/dbraw/zinc/50/38/73/347503873.db2.gz DVEBLTNJULVSIQ-ZCFIWIBFSA-N 1 2 172.207 0.263 20 0 ACADLO CCn1ncnc1C[NH2+][C@@H](C)CF 639182584 347503942 /nfs/dbraw/zinc/50/39/42/347503942.db2.gz HKWPFZULXCBQQW-ZETCQYMHSA-N 1 2 186.234 0.746 20 0 ACADLO Cc1nn(C)cc1C[NH+]1CC(C)(O)C1 639253236 347507689 /nfs/dbraw/zinc/50/76/89/347507689.db2.gz BLOKNRQSLYTWIV-UHFFFAOYSA-N 1 2 195.266 0.295 20 0 ACADLO C=Cn1cc(C[NH+]2CC(C)(O)C2)cn1 639253224 347507692 /nfs/dbraw/zinc/50/76/92/347507692.db2.gz BCZWIEYVQAWURH-UHFFFAOYSA-N 1 2 193.250 0.550 20 0 ACADLO CC(C)(O)C1C[NH+](Cc2ccon2)C1 639252876 347507746 /nfs/dbraw/zinc/50/77/46/347507746.db2.gz VHOXAOYSOVAAJN-UHFFFAOYSA-N 1 2 196.250 0.877 20 0 ACADLO CCC1C[NH+](Cc2ncnn2C)C1 639248531 347507777 /nfs/dbraw/zinc/50/77/77/347507777.db2.gz ISWWHTUXXCWKHE-UHFFFAOYSA-N 1 2 180.255 0.657 20 0 ACADLO Cc1ccncc1C[NH+]1CC(C)(O)C1 639253495 347507845 /nfs/dbraw/zinc/50/78/45/347507845.db2.gz HOZLVBZBJOHCBG-UHFFFAOYSA-N 1 2 192.262 0.957 20 0 ACADLO Cc1cnccc1C[NH+]1CC(C)(O)C1 639253699 347507933 /nfs/dbraw/zinc/50/79/33/347507933.db2.gz NYVHKCKVXQAFEQ-UHFFFAOYSA-N 1 2 192.262 0.957 20 0 ACADLO CCc1nocc1C[NH+]1CC(C)(O)C1 639253503 347507961 /nfs/dbraw/zinc/50/79/61/347507961.db2.gz HVDMZRFPPURVBF-UHFFFAOYSA-N 1 2 196.250 0.804 20 0 ACADLO Cc1cnn(C)c1C[NH+]1CC(C)(O)C1 639253527 347508061 /nfs/dbraw/zinc/50/80/61/347508061.db2.gz IXIJUTHFLAIFKX-UHFFFAOYSA-N 1 2 195.266 0.295 20 0 ACADLO Cn1cccc1C[NH+]1CC(C)(O)C1 639254554 347508488 /nfs/dbraw/zinc/50/84/88/347508488.db2.gz ZNORYOFDYWYQID-UHFFFAOYSA-N 1 2 180.251 0.592 20 0 ACADLO CC1(O)C[NH+](Cc2ccc(=O)[nH]c2)C1 639254122 347508658 /nfs/dbraw/zinc/50/86/58/347508658.db2.gz YYGADGPYOQBDAJ-UHFFFAOYSA-N 1 2 194.234 0.354 20 0 ACADLO Cc1n[nH]cc1C[NH+]1CC(C)(O)C1 639254568 347508709 /nfs/dbraw/zinc/50/87/09/347508709.db2.gz ZZUBSSSJNKILRX-UHFFFAOYSA-N 1 2 181.239 0.285 20 0 ACADLO Cc1n[nH]c(C)c1C[NH+]1CC(C)(O)C1 639254564 347508772 /nfs/dbraw/zinc/50/87/72/347508772.db2.gz ZUMPUIHCPFMQCM-UHFFFAOYSA-N 1 2 195.266 0.593 20 0 ACADLO CC1(O)C[NH+](Cc2ccc(CO)o2)C1 639254475 347508808 /nfs/dbraw/zinc/50/88/08/347508808.db2.gz WFUYPFHRNCOULN-UHFFFAOYSA-N 1 2 197.234 0.339 20 0 ACADLO Cc1nnsc1C[NH2+]C1(C)COC1 639380745 347514341 /nfs/dbraw/zinc/51/43/41/347514341.db2.gz KCYKCENTLYHWOZ-UHFFFAOYSA-N 1 2 199.279 0.725 20 0 ACADLO CCn1ncnc1C[NH2+]C1(C)COC1 639380971 347514660 /nfs/dbraw/zinc/51/46/60/347514660.db2.gz LZBMTKLMJNSYQE-UHFFFAOYSA-N 1 2 196.254 0.177 20 0 ACADLO CC1([NH2+]Cc2cc[nH]n2)COC1 639381866 347515015 /nfs/dbraw/zinc/51/50/15/347515015.db2.gz KDPRHSZCLLVQBF-UHFFFAOYSA-N 1 2 167.212 0.288 20 0 ACADLO Cn1ccc(C[NH2+]C2(C)COC2)n1 639382039 347515030 /nfs/dbraw/zinc/51/50/30/347515030.db2.gz KWJSVKVKOBRGAD-UHFFFAOYSA-N 1 2 181.239 0.299 20 0 ACADLO Cc1cn[nH]c1C[NH2+]C1(C)COC1 639380985 347515111 /nfs/dbraw/zinc/51/51/11/347515111.db2.gz MQYALVDMVLUCTQ-UHFFFAOYSA-N 1 2 181.239 0.597 20 0 ACADLO Cc1c[nH]nc1C[NH2+]C1(C)COC1 639380985 347515114 /nfs/dbraw/zinc/51/51/14/347515114.db2.gz MQYALVDMVLUCTQ-UHFFFAOYSA-N 1 2 181.239 0.597 20 0 ACADLO CC1([NH2+]Cc2ccc(CO)o2)COC1 639381430 347515174 /nfs/dbraw/zinc/51/51/74/347515174.db2.gz CUQMOINJXHTMBR-UHFFFAOYSA-N 1 2 197.234 0.650 20 0 ACADLO Cc1cc(C[NH2+]C2(C)COC2)nn1C 639381091 347515245 /nfs/dbraw/zinc/51/52/45/347515245.db2.gz PBTJKHNCYVYKMK-UHFFFAOYSA-N 1 2 195.266 0.607 20 0 ACADLO CCn1nncc1C[NH2+]C1(C)COC1 639381187 347515480 /nfs/dbraw/zinc/51/54/80/347515480.db2.gz RBEQSKBTOGLSEF-UHFFFAOYSA-N 1 2 196.254 0.177 20 0 ACADLO CCn1ccnc1C[NH2+]C1(C)COC1 639382382 347515577 /nfs/dbraw/zinc/51/55/77/347515577.db2.gz PBWIBSUDBZQXAC-UHFFFAOYSA-N 1 2 195.266 0.782 20 0 ACADLO Cn1cc(C[NH+]2CC(C)(C)C2)nn1 639393529 347515801 /nfs/dbraw/zinc/51/58/01/347515801.db2.gz MCFKRRSCZXYYLE-UHFFFAOYSA-N 1 2 180.255 0.657 20 0 ACADLO Cn1ncnc1C[NH+]1CC(C)(C)C1 639393619 347515927 /nfs/dbraw/zinc/51/59/27/347515927.db2.gz POLRPRPLUKSOAX-UHFFFAOYSA-N 1 2 180.255 0.657 20 0 ACADLO Cn1nncc1C[NH+]1CC(C)(C)C1 639393306 347516064 /nfs/dbraw/zinc/51/60/64/347516064.db2.gz IMKNZEOUFAEPIO-UHFFFAOYSA-N 1 2 180.255 0.657 20 0 ACADLO CCCN1CC(=O)N[C@H]1c1c[nH]c[nH+]1 639422554 347517178 /nfs/dbraw/zinc/51/71/78/347517178.db2.gz AAXHJICTUYOTGE-SECBINFHSA-N 1 2 194.238 0.250 20 0 ACADLO CCCN1CC(=O)N[C@@H]1c1c[nH]c[nH+]1 639422556 347517211 /nfs/dbraw/zinc/51/72/11/347517211.db2.gz AAXHJICTUYOTGE-VIFPVBQESA-N 1 2 194.238 0.250 20 0 ACADLO CCn1cc(C[N@H+](C)CC(C)=O)cn1 639488869 347520525 /nfs/dbraw/zinc/52/05/25/347520525.db2.gz MBHHSXGPZQFUGL-UHFFFAOYSA-N 1 2 195.266 0.924 20 0 ACADLO CCn1cc(C[N@@H+](C)CC(C)=O)cn1 639488869 347520528 /nfs/dbraw/zinc/52/05/28/347520528.db2.gz MBHHSXGPZQFUGL-UHFFFAOYSA-N 1 2 195.266 0.924 20 0 ACADLO CC(=O)C[N@H+](C)CCN1CCCC1=O 639488727 347520622 /nfs/dbraw/zinc/52/06/22/347520622.db2.gz LCCPXBQYMIDJLY-UHFFFAOYSA-N 1 2 198.266 0.130 20 0 ACADLO CC(=O)C[N@@H+](C)CCN1CCCC1=O 639488727 347520623 /nfs/dbraw/zinc/52/06/23/347520623.db2.gz LCCPXBQYMIDJLY-UHFFFAOYSA-N 1 2 198.266 0.130 20 0 ACADLO CC(=O)C[N@@H+]1CCN(C(C)=O)C[C@H]1C 639517488 347522122 /nfs/dbraw/zinc/52/21/22/347522122.db2.gz JHLPIJCGSBPDMT-MRVPVSSYSA-N 1 2 198.266 0.128 20 0 ACADLO CC(=O)C[N@@H+]1CCN(C(C)=O)C[C@@H]1C 639517495 347522362 /nfs/dbraw/zinc/52/23/62/347522362.db2.gz JHLPIJCGSBPDMT-QMMMGPOBSA-N 1 2 198.266 0.128 20 0 ACADLO CC(=O)C[N@H+]1CCN(C(C)=O)C[C@H]1C 639517488 347522120 /nfs/dbraw/zinc/52/21/20/347522120.db2.gz JHLPIJCGSBPDMT-MRVPVSSYSA-N 1 2 198.266 0.128 20 0 ACADLO CC(=O)C[N@H+]1CCN(C(C)=O)C[C@@H]1C 639517495 347522358 /nfs/dbraw/zinc/52/23/58/347522358.db2.gz JHLPIJCGSBPDMT-QMMMGPOBSA-N 1 2 198.266 0.128 20 0 ACADLO CC(=O)C[N@@H+](C)Cc1cn[nH]c1 639536573 347523445 /nfs/dbraw/zinc/52/34/45/347523445.db2.gz SBUZESPXBMJXKI-UHFFFAOYSA-N 1 2 167.212 0.431 20 0 ACADLO CC(=O)C[N@H+](C)Cc1cn[nH]c1 639536573 347523449 /nfs/dbraw/zinc/52/34/49/347523449.db2.gz SBUZESPXBMJXKI-UHFFFAOYSA-N 1 2 167.212 0.431 20 0 ACADLO CC(=O)C[N@@H+]1CCOC[C@@H]1C1CC1 639553849 347523512 /nfs/dbraw/zinc/52/35/12/347523512.db2.gz ILLHUOVNRWCXHH-SNVBAGLBSA-N 1 2 183.251 0.686 20 0 ACADLO CC(=O)C[N@H+]1CCOC[C@@H]1C1CC1 639553849 347523515 /nfs/dbraw/zinc/52/35/15/347523515.db2.gz ILLHUOVNRWCXHH-SNVBAGLBSA-N 1 2 183.251 0.686 20 0 ACADLO CC(=O)C[N@@H+]1CCOC[C@H]1C1CC1 639553841 347523683 /nfs/dbraw/zinc/52/36/83/347523683.db2.gz ILLHUOVNRWCXHH-JTQLQIEISA-N 1 2 183.251 0.686 20 0 ACADLO CC(=O)C[N@H+]1CCOC[C@H]1C1CC1 639553841 347523685 /nfs/dbraw/zinc/52/36/85/347523685.db2.gz ILLHUOVNRWCXHH-JTQLQIEISA-N 1 2 183.251 0.686 20 0 ACADLO CC(=O)C[N@@H+]1CCN(C)[C@H](C)[C@H]1C 639559001 347524173 /nfs/dbraw/zinc/52/41/73/347524173.db2.gz MXLOZPUKZZDIHH-NXEZZACHSA-N 1 2 184.283 0.600 20 0 ACADLO CC(=O)C[N@H+]1CCN(C)[C@H](C)[C@H]1C 639559001 347524174 /nfs/dbraw/zinc/52/41/74/347524174.db2.gz MXLOZPUKZZDIHH-NXEZZACHSA-N 1 2 184.283 0.600 20 0 ACADLO CC(=O)C[N@@H+]1CCOC2(CCC2)C1 639556154 347524427 /nfs/dbraw/zinc/52/44/27/347524427.db2.gz LOPUJSHIXPTNMU-UHFFFAOYSA-N 1 2 183.251 0.830 20 0 ACADLO CC(=O)C[N@H+]1CCOC2(CCC2)C1 639556154 347524428 /nfs/dbraw/zinc/52/44/28/347524428.db2.gz LOPUJSHIXPTNMU-UHFFFAOYSA-N 1 2 183.251 0.830 20 0 ACADLO CC(=O)C[N@H+]1C[C@H](C)N(C)C[C@@H]1C 639557855 347524445 /nfs/dbraw/zinc/52/44/45/347524445.db2.gz RLWHWOZXMGPEKN-IUCAKERBSA-N 1 2 184.283 0.600 20 0 ACADLO CC(=O)C[N@@H+]1C[C@H](C)N(C)C[C@@H]1C 639557855 347524447 /nfs/dbraw/zinc/52/44/47/347524447.db2.gz RLWHWOZXMGPEKN-IUCAKERBSA-N 1 2 184.283 0.600 20 0 ACADLO CC(=O)C[N@H+]1C[C@H](C)N(C)C[C@H]1C 639557854 347524465 /nfs/dbraw/zinc/52/44/65/347524465.db2.gz RLWHWOZXMGPEKN-DTWKUNHWSA-N 1 2 184.283 0.600 20 0 ACADLO CC(=O)C[N@@H+]1C[C@H](C)N(C)C[C@H]1C 639557854 347524467 /nfs/dbraw/zinc/52/44/67/347524467.db2.gz RLWHWOZXMGPEKN-DTWKUNHWSA-N 1 2 184.283 0.600 20 0 ACADLO CC(=O)C[N@@H+]1CCN(C)[C@@H](C)[C@H]1C 639559003 347524587 /nfs/dbraw/zinc/52/45/87/347524587.db2.gz MXLOZPUKZZDIHH-VHSXEESVSA-N 1 2 184.283 0.600 20 0 ACADLO CC(=O)C[N@H+]1CCN(C)[C@@H](C)[C@H]1C 639559003 347524591 /nfs/dbraw/zinc/52/45/91/347524591.db2.gz MXLOZPUKZZDIHH-VHSXEESVSA-N 1 2 184.283 0.600 20 0 ACADLO CC(=O)C[N@H+](C)CCc1cnccn1 639559167 347524620 /nfs/dbraw/zinc/52/46/20/347524620.db2.gz PKUZNIBVSPPMMX-UHFFFAOYSA-N 1 2 193.250 0.540 20 0 ACADLO CC(=O)C[N@@H+](C)CCc1cnccn1 639559167 347524621 /nfs/dbraw/zinc/52/46/21/347524621.db2.gz PKUZNIBVSPPMMX-UHFFFAOYSA-N 1 2 193.250 0.540 20 0 ACADLO CC(=O)C[N@H+]1C[C@@H](C)N(C)C[C@@H]1C 639557853 347524641 /nfs/dbraw/zinc/52/46/41/347524641.db2.gz RLWHWOZXMGPEKN-BDAKNGLRSA-N 1 2 184.283 0.600 20 0 ACADLO CC(=O)C[N@@H+]1C[C@@H](C)N(C)C[C@@H]1C 639557853 347524644 /nfs/dbraw/zinc/52/46/44/347524644.db2.gz RLWHWOZXMGPEKN-BDAKNGLRSA-N 1 2 184.283 0.600 20 0 ACADLO CC(=O)C[N@H+]1CCN(C)CC1(C)C 639555593 347524715 /nfs/dbraw/zinc/52/47/15/347524715.db2.gz SDFWEWIUEXEHCZ-UHFFFAOYSA-N 1 2 184.283 0.601 20 0 ACADLO CC(=O)C[N@@H+]1CCN(C)CC1(C)C 639555593 347524718 /nfs/dbraw/zinc/52/47/18/347524718.db2.gz SDFWEWIUEXEHCZ-UHFFFAOYSA-N 1 2 184.283 0.601 20 0 ACADLO CC(=O)C[N@@H+]1CCN(C)[C@@H](C)[C@@H]1C 639559002 347524742 /nfs/dbraw/zinc/52/47/42/347524742.db2.gz MXLOZPUKZZDIHH-UWVGGRQHSA-N 1 2 184.283 0.600 20 0 ACADLO CC(=O)C[N@H+]1CCN(C)[C@@H](C)[C@@H]1C 639559002 347524747 /nfs/dbraw/zinc/52/47/47/347524747.db2.gz MXLOZPUKZZDIHH-UWVGGRQHSA-N 1 2 184.283 0.600 20 0 ACADLO CC(=O)C[N@H+]1C[C@@H](C)N(C)C[C@H]1C 639557856 347524763 /nfs/dbraw/zinc/52/47/63/347524763.db2.gz RLWHWOZXMGPEKN-RKDXNWHRSA-N 1 2 184.283 0.600 20 0 ACADLO CC(=O)C[N@@H+]1C[C@@H](C)N(C)C[C@H]1C 639557856 347524766 /nfs/dbraw/zinc/52/47/66/347524766.db2.gz RLWHWOZXMGPEKN-RKDXNWHRSA-N 1 2 184.283 0.600 20 0 ACADLO CC(=O)C[N@@H+]1CCN(C)[C@H](C)[C@@H]1C 639559004 347524930 /nfs/dbraw/zinc/52/49/30/347524930.db2.gz MXLOZPUKZZDIHH-ZJUUUORDSA-N 1 2 184.283 0.600 20 0 ACADLO CC(=O)C[N@H+]1CCN(C)[C@H](C)[C@@H]1C 639559004 347524933 /nfs/dbraw/zinc/52/49/33/347524933.db2.gz MXLOZPUKZZDIHH-ZJUUUORDSA-N 1 2 184.283 0.600 20 0 ACADLO CC(=O)C[N@@H+]1CC[C@H](C)C[C@@H]1C(N)=O 639600314 347527920 /nfs/dbraw/zinc/52/79/20/347527920.db2.gz XLQKFAMFDXGBOP-IONNQARKSA-N 1 2 198.266 0.161 20 0 ACADLO CC(=O)C[N@H+]1CC[C@@H](C)C[C@H]1C(N)=O 639600311 347527238 /nfs/dbraw/zinc/52/72/38/347527238.db2.gz XLQKFAMFDXGBOP-APPZFPTMSA-N 1 2 198.266 0.161 20 0 ACADLO CC(=O)C[N@@H+]1CC[C@@H](C)C[C@H]1C(N)=O 639600311 347527242 /nfs/dbraw/zinc/52/72/42/347527242.db2.gz XLQKFAMFDXGBOP-APPZFPTMSA-N 1 2 198.266 0.161 20 0 ACADLO CC(=O)C[N@H+]1CC[C@@H](C)C[C@@H]1C(N)=O 639600316 347527563 /nfs/dbraw/zinc/52/75/63/347527563.db2.gz XLQKFAMFDXGBOP-VXNVDRBHSA-N 1 2 198.266 0.161 20 0 ACADLO CC(=O)C[N@@H+]1CC[C@@H](C)C[C@@H]1C(N)=O 639600316 347527567 /nfs/dbraw/zinc/52/75/67/347527567.db2.gz XLQKFAMFDXGBOP-VXNVDRBHSA-N 1 2 198.266 0.161 20 0 ACADLO CC(=O)C[N@H+]1CC[C@H](C)C[C@H]1C(N)=O 639600313 347527629 /nfs/dbraw/zinc/52/76/29/347527629.db2.gz XLQKFAMFDXGBOP-CBAPKCEASA-N 1 2 198.266 0.161 20 0 ACADLO CC(=O)C[N@@H+]1CC[C@H](C)C[C@H]1C(N)=O 639600313 347527632 /nfs/dbraw/zinc/52/76/32/347527632.db2.gz XLQKFAMFDXGBOP-CBAPKCEASA-N 1 2 198.266 0.161 20 0 ACADLO CC(=O)C[N@H+]1CC[C@H](C)C[C@@H]1C(N)=O 639600314 347527918 /nfs/dbraw/zinc/52/79/18/347527918.db2.gz XLQKFAMFDXGBOP-IONNQARKSA-N 1 2 198.266 0.161 20 0 ACADLO CC(=O)CN1CCc2[nH+]c[nH]c2C1 639645924 347529561 /nfs/dbraw/zinc/52/95/61/347529561.db2.gz MRHOALWMNVNZCS-UHFFFAOYSA-N 1 2 179.223 0.357 20 0 ACADLO CC[C@H]1CN(C)CC[N@@H+]1CC(C)=O 639657837 347531006 /nfs/dbraw/zinc/53/10/06/347531006.db2.gz SIFCQCLKYAGYHT-JTQLQIEISA-N 1 2 184.283 0.601 20 0 ACADLO CC[C@H]1CN(C)CC[N@H+]1CC(C)=O 639657837 347531007 /nfs/dbraw/zinc/53/10/07/347531007.db2.gz SIFCQCLKYAGYHT-JTQLQIEISA-N 1 2 184.283 0.601 20 0 ACADLO CC(=O)C[N@@H+](C(C)C)C1COC1 639661112 347531109 /nfs/dbraw/zinc/53/11/09/347531109.db2.gz ZGWLINPHYXSWFX-UHFFFAOYSA-N 1 2 171.240 0.685 20 0 ACADLO CC(=O)C[N@H+](C(C)C)C1COC1 639661112 347531110 /nfs/dbraw/zinc/53/11/10/347531110.db2.gz ZGWLINPHYXSWFX-UHFFFAOYSA-N 1 2 171.240 0.685 20 0 ACADLO CC[C@@H]1CN(C)CC[N@@H+]1CC(C)=O 639657838 347531262 /nfs/dbraw/zinc/53/12/62/347531262.db2.gz SIFCQCLKYAGYHT-SNVBAGLBSA-N 1 2 184.283 0.601 20 0 ACADLO CC[C@@H]1CN(C)CC[N@H+]1CC(C)=O 639657838 347531263 /nfs/dbraw/zinc/53/12/63/347531263.db2.gz SIFCQCLKYAGYHT-SNVBAGLBSA-N 1 2 184.283 0.601 20 0 ACADLO CC(=O)C[NH2+][C@@H](C)c1ccn(C)n1 639671346 347531700 /nfs/dbraw/zinc/53/17/00/347531700.db2.gz PXKKUDCBJIWOTQ-QMMMGPOBSA-N 1 2 181.239 0.660 20 0 ACADLO CC(=O)C[NH2+][C@H](C)c1ccn(C)n1 639671345 347532040 /nfs/dbraw/zinc/53/20/40/347532040.db2.gz PXKKUDCBJIWOTQ-MRVPVSSYSA-N 1 2 181.239 0.660 20 0 ACADLO OC[C@@H]1CC[C@@H](CO)[NH+]1CC(F)F 639783256 347534447 /nfs/dbraw/zinc/53/44/47/347534447.db2.gz IUHJDDBCXVJLQW-BQBZGAKWSA-N 1 2 195.209 0.069 20 0 ACADLO CC(=O)CN(C)Cc1c[nH+]c[nH]1 639783799 347534582 /nfs/dbraw/zinc/53/45/82/347534582.db2.gz NHIANBUYFKOFTH-UHFFFAOYSA-N 1 2 167.212 0.431 20 0 ACADLO CC(=O)CN(C)Cc1c[nH]c[nH+]1 639783799 347534585 /nfs/dbraw/zinc/53/45/85/347534585.db2.gz NHIANBUYFKOFTH-UHFFFAOYSA-N 1 2 167.212 0.431 20 0 ACADLO CCOCC[N@@H+]1CCO[C@H](OC)C1 639833924 347537112 /nfs/dbraw/zinc/53/71/12/347537112.db2.gz KHGOXTIUMHOPPU-VIFPVBQESA-N 1 2 189.255 0.328 20 0 ACADLO CCOCC[N@H+]1CCO[C@H](OC)C1 639833924 347537115 /nfs/dbraw/zinc/53/71/15/347537115.db2.gz KHGOXTIUMHOPPU-VIFPVBQESA-N 1 2 189.255 0.328 20 0 ACADLO CCOCC[N@@H+]1CCO[C@@H](OC)C1 639833923 347537183 /nfs/dbraw/zinc/53/71/83/347537183.db2.gz KHGOXTIUMHOPPU-SECBINFHSA-N 1 2 189.255 0.328 20 0 ACADLO CCOCC[N@H+]1CCO[C@@H](OC)C1 639833923 347537186 /nfs/dbraw/zinc/53/71/86/347537186.db2.gz KHGOXTIUMHOPPU-SECBINFHSA-N 1 2 189.255 0.328 20 0 ACADLO CO[C@H]1CN(Cc2[nH]cc[nH+]2)CCO1 639838163 347537306 /nfs/dbraw/zinc/53/73/06/347537306.db2.gz MVBFZTHFRHQRBX-SECBINFHSA-N 1 2 197.238 0.214 20 0 ACADLO CO[C@@H]1CN(Cc2c[nH+]c[nH]2)CCO1 639839316 347537491 /nfs/dbraw/zinc/53/74/91/347537491.db2.gz QXRALXWZZKAFCQ-VIFPVBQESA-N 1 2 197.238 0.214 20 0 ACADLO CO[C@@H]1CN(Cc2c[nH]c[nH+]2)CCO1 639839316 347537493 /nfs/dbraw/zinc/53/74/93/347537493.db2.gz QXRALXWZZKAFCQ-VIFPVBQESA-N 1 2 197.238 0.214 20 0 ACADLO CO[C@@H]1CN(Cc2[nH]cc[nH+]2)CCO1 639838165 347537560 /nfs/dbraw/zinc/53/75/60/347537560.db2.gz MVBFZTHFRHQRBX-VIFPVBQESA-N 1 2 197.238 0.214 20 0 ACADLO CO[C@H]1CN(Cc2c[nH+]c[nH]2)CCO1 639839311 347537720 /nfs/dbraw/zinc/53/77/20/347537720.db2.gz QXRALXWZZKAFCQ-SECBINFHSA-N 1 2 197.238 0.214 20 0 ACADLO CO[C@H]1CN(Cc2c[nH]c[nH+]2)CCO1 639839311 347537721 /nfs/dbraw/zinc/53/77/21/347537721.db2.gz QXRALXWZZKAFCQ-SECBINFHSA-N 1 2 197.238 0.214 20 0 ACADLO C[C@]1(CO)C[C@@H](O)C[N@@H+]1CC(F)F 639847412 347538342 /nfs/dbraw/zinc/53/83/42/347538342.db2.gz AZHZYAICLVLNEZ-HTRCEHHLSA-N 1 2 195.209 0.069 20 0 ACADLO C[C@]1(CO)C[C@@H](O)C[N@H+]1CC(F)F 639847412 347538345 /nfs/dbraw/zinc/53/83/45/347538345.db2.gz AZHZYAICLVLNEZ-HTRCEHHLSA-N 1 2 195.209 0.069 20 0 ACADLO C[C@@]1(CO)C[C@@H](O)C[N@@H+]1CC(F)F 639847416 347538525 /nfs/dbraw/zinc/53/85/25/347538525.db2.gz AZHZYAICLVLNEZ-SVRRBLITSA-N 1 2 195.209 0.069 20 0 ACADLO C[C@@]1(CO)C[C@@H](O)C[N@H+]1CC(F)F 639847416 347538526 /nfs/dbraw/zinc/53/85/26/347538526.db2.gz AZHZYAICLVLNEZ-SVRRBLITSA-N 1 2 195.209 0.069 20 0 ACADLO C[C@@]1(CO)C[C@H](O)C[N@@H+]1CC(F)F 639847417 347538530 /nfs/dbraw/zinc/53/85/30/347538530.db2.gz AZHZYAICLVLNEZ-XPUUQOCRSA-N 1 2 195.209 0.069 20 0 ACADLO C[C@@]1(CO)C[C@H](O)C[N@H+]1CC(F)F 639847417 347538533 /nfs/dbraw/zinc/53/85/33/347538533.db2.gz AZHZYAICLVLNEZ-XPUUQOCRSA-N 1 2 195.209 0.069 20 0 ACADLO C[C@]1(CO)C[C@H](O)C[N@@H+]1CC(F)F 639847415 347538701 /nfs/dbraw/zinc/53/87/01/347538701.db2.gz AZHZYAICLVLNEZ-POYBYMJQSA-N 1 2 195.209 0.069 20 0 ACADLO C[C@]1(CO)C[C@H](O)C[N@H+]1CC(F)F 639847415 347538703 /nfs/dbraw/zinc/53/87/03/347538703.db2.gz AZHZYAICLVLNEZ-POYBYMJQSA-N 1 2 195.209 0.069 20 0 ACADLO CC(=O)C[N@H+]1CCC[C@H]1C(=O)N(C)C 639893774 347540527 /nfs/dbraw/zinc/54/05/27/347540527.db2.gz XLKWAPPBEMSKGF-VIFPVBQESA-N 1 2 198.266 0.128 20 0 ACADLO CC(=O)C[N@@H+]1CCC[C@H]1C(=O)N(C)C 639893774 347540529 /nfs/dbraw/zinc/54/05/29/347540529.db2.gz XLKWAPPBEMSKGF-VIFPVBQESA-N 1 2 198.266 0.128 20 0 ACADLO CC[C@@H](O)C[N@H+](C)Cc1cn[nH]c1C 639969744 347540917 /nfs/dbraw/zinc/54/09/17/347540917.db2.gz FJCHIROCKKCIGW-SNVBAGLBSA-N 1 2 197.282 0.921 20 0 ACADLO CC[C@@H](O)C[N@@H+](C)Cc1cn[nH]c1C 639969744 347540920 /nfs/dbraw/zinc/54/09/20/347540920.db2.gz FJCHIROCKKCIGW-SNVBAGLBSA-N 1 2 197.282 0.921 20 0 ACADLO Cc1n[nH]cc1C[N@@H+](C)[C@H](C)C(N)=O 639968897 347540985 /nfs/dbraw/zinc/54/09/85/347540985.db2.gz WHESCEDJPLQTTK-SSDOTTSWSA-N 1 2 196.254 0.024 20 0 ACADLO Cc1n[nH]cc1C[N@H+](C)[C@H](C)C(N)=O 639968897 347540987 /nfs/dbraw/zinc/54/09/87/347540987.db2.gz WHESCEDJPLQTTK-SSDOTTSWSA-N 1 2 196.254 0.024 20 0 ACADLO COC[C@@](C)(CO)[NH2+]CC(F)F 639954806 347541144 /nfs/dbraw/zinc/54/11/44/347541144.db2.gz GOKGBBUPZRCBTD-SSDOTTSWSA-N 1 2 183.198 0.239 20 0 ACADLO CC(=O)C[N@@H+](C)Cc1c[nH]nc1C 639972482 347541164 /nfs/dbraw/zinc/54/11/64/347541164.db2.gz SKZYSXIEFRGCAR-UHFFFAOYSA-N 1 2 181.239 0.739 20 0 ACADLO CC(=O)C[N@H+](C)Cc1c[nH]nc1C 639972482 347541167 /nfs/dbraw/zinc/54/11/67/347541167.db2.gz SKZYSXIEFRGCAR-UHFFFAOYSA-N 1 2 181.239 0.739 20 0 ACADLO Cc1n[nH]cc1C[N@@H+](C)[C@@H](C)C(N)=O 639968898 347541325 /nfs/dbraw/zinc/54/13/25/347541325.db2.gz WHESCEDJPLQTTK-ZETCQYMHSA-N 1 2 196.254 0.024 20 0 ACADLO Cc1n[nH]cc1C[N@H+](C)[C@@H](C)C(N)=O 639968898 347541328 /nfs/dbraw/zinc/54/13/28/347541328.db2.gz WHESCEDJPLQTTK-ZETCQYMHSA-N 1 2 196.254 0.024 20 0 ACADLO COC[C@](C)(CO)[NH2+]CC(F)F 639954807 347541336 /nfs/dbraw/zinc/54/13/36/347541336.db2.gz GOKGBBUPZRCBTD-ZETCQYMHSA-N 1 2 183.198 0.239 20 0 ACADLO O=C(C1CC1)N1CCn2c[nH+]cc2C1 640412236 347550391 /nfs/dbraw/zinc/55/03/91/347550391.db2.gz WBSYFMVCFOOSLL-UHFFFAOYSA-N 1 2 191.234 0.635 20 0 ACADLO CC(C)C(=O)N1CCn2c[nH+]cc2C1 640334667 347550448 /nfs/dbraw/zinc/55/04/48/347550448.db2.gz QLCHFRZKIRNRRM-UHFFFAOYSA-N 1 2 193.250 0.881 20 0 ACADLO O[C@]12C[C@H]1C[N@H+](CC(F)F)C2 640477234 347551980 /nfs/dbraw/zinc/55/19/80/347551980.db2.gz RJWPLNKICUPWPE-FSPLSTOPSA-N 1 2 163.167 0.318 20 0 ACADLO O[C@]12C[C@H]1C[N@@H+](CC(F)F)C2 640477234 347551983 /nfs/dbraw/zinc/55/19/83/347551983.db2.gz RJWPLNKICUPWPE-FSPLSTOPSA-N 1 2 163.167 0.318 20 0 ACADLO O[C@@]12C[C@@H]1C[N@@H+](CC(F)F)C2 640477236 347551992 /nfs/dbraw/zinc/55/19/92/347551992.db2.gz RJWPLNKICUPWPE-IYSWYEEDSA-N 1 2 163.167 0.318 20 0 ACADLO CCCn1cc(Cn2cc[nH+]c2)nn1 640752366 347557223 /nfs/dbraw/zinc/55/72/23/347557223.db2.gz ANICJUICROJEJT-UHFFFAOYSA-N 1 2 191.238 0.933 20 0 ACADLO c1c[nH+]c(Cn2cc(C3CC3)nn2)[nH]1 640755248 347558314 /nfs/dbraw/zinc/55/83/14/347558314.db2.gz VVJXSIIEJNADRP-UHFFFAOYSA-N 1 2 189.222 0.927 20 0 ACADLO c1[nH]cc(Cn2cc(C3CC3)nn2)[nH+]1 641036721 347560373 /nfs/dbraw/zinc/56/03/73/347560373.db2.gz ZDPFNMSEOMFFEO-UHFFFAOYSA-N 1 2 189.222 0.927 20 0 ACADLO CCn1cc(C[N@H+](C)CCOC)nn1 641187480 347562084 /nfs/dbraw/zinc/56/20/84/347562084.db2.gz LUHYKWZNHVXGGL-UHFFFAOYSA-N 1 2 198.270 0.376 20 0 ACADLO CCn1cc(C[N@@H+](C)CCOC)nn1 641187480 347562087 /nfs/dbraw/zinc/56/20/87/347562087.db2.gz LUHYKWZNHVXGGL-UHFFFAOYSA-N 1 2 198.270 0.376 20 0 ACADLO CCn1cc(Cn2cc[nH+]c2)nn1 641187297 347562194 /nfs/dbraw/zinc/56/21/94/347562194.db2.gz IZCXMIVBLBKWJL-UHFFFAOYSA-N 1 2 177.211 0.543 20 0 ACADLO C[C@H]1CCN1C(=O)CCc1[nH]cc[nH+]1 641240640 347563543 /nfs/dbraw/zinc/56/35/43/347563543.db2.gz IWVQYFWAJIBFNR-QMMMGPOBSA-N 1 2 193.250 0.963 20 0 ACADLO C[C@@H]1CCN1C(=O)CCc1[nH]cc[nH+]1 641240639 347563623 /nfs/dbraw/zinc/56/36/23/347563623.db2.gz IWVQYFWAJIBFNR-MRVPVSSYSA-N 1 2 193.250 0.963 20 0 ACADLO CN(CC(N)=O)c1cc[nH+]cc1F 641291726 347569896 /nfs/dbraw/zinc/56/98/96/347569896.db2.gz CUBFJCNCYPWGLX-UHFFFAOYSA-N 1 2 183.186 0.142 20 0 ACADLO CN(CCO)c1cc[nH+]cc1F 641248839 347568470 /nfs/dbraw/zinc/56/84/70/347568470.db2.gz AONBYCDIPYNJKV-UHFFFAOYSA-N 1 2 170.187 0.649 20 0 ACADLO CCNC(=O)CNc1cc[nH+]cc1F 641262939 347569038 /nfs/dbraw/zinc/56/90/38/347569038.db2.gz LVZZVAXGIIGSKN-UHFFFAOYSA-N 1 2 197.213 0.191 20 0 ACADLO C[C@H](O)CNc1cc(CO)cc[nH+]1 641252660 347569202 /nfs/dbraw/zinc/56/92/02/347569202.db2.gz QBFFYHFAAKONNI-ZETCQYMHSA-N 1 2 182.223 0.367 20 0 ACADLO CN(C)C(=O)CNc1cc[nH+]cc1F 641264498 347569322 /nfs/dbraw/zinc/56/93/22/347569322.db2.gz YUMGMRIDDSXYSP-UHFFFAOYSA-N 1 2 197.213 0.143 20 0 ACADLO OCCCNc1cc[nH+]cc1F 641252131 347569338 /nfs/dbraw/zinc/56/93/38/347569338.db2.gz JTDWFQFZETULCG-UHFFFAOYSA-N 1 2 170.187 0.437 20 0 ACADLO CC(=O)NCCNc1cc[nH+]cc1F 641257476 347569368 /nfs/dbraw/zinc/56/93/68/347569368.db2.gz IXTMRXPQZOOLTH-UHFFFAOYSA-N 1 2 197.213 0.191 20 0 ACADLO C[C@@H](O)CNc1cc(CO)cc[nH+]1 641252659 347569464 /nfs/dbraw/zinc/56/94/64/347569464.db2.gz QBFFYHFAAKONNI-SSDOTTSWSA-N 1 2 182.223 0.367 20 0 ACADLO CC[C@H](CO)Nc1cc(CO)cc[nH+]1 641253404 347569489 /nfs/dbraw/zinc/56/94/89/347569489.db2.gz YHAFQSKCIYMCIN-SECBINFHSA-N 1 2 196.250 0.757 20 0 ACADLO CC[C@@H](CO)Nc1cc(CO)cc[nH+]1 641253405 347569500 /nfs/dbraw/zinc/56/95/00/347569500.db2.gz YHAFQSKCIYMCIN-VIFPVBQESA-N 1 2 196.250 0.757 20 0 ACADLO C[C@H](CO)Nc1cc(CO)cc[nH+]1 641277975 347569721 /nfs/dbraw/zinc/56/97/21/347569721.db2.gz ZFIHCORZVQMLIW-SSDOTTSWSA-N 1 2 182.223 0.367 20 0 ACADLO C[C@@H](CO)CNc1cc[nH+]cc1F 641306685 347569783 /nfs/dbraw/zinc/56/97/83/347569783.db2.gz MINSJAWHPNCEHT-SSDOTTSWSA-N 1 2 184.214 0.683 20 0 ACADLO C[C@H](CO)CNc1cc[nH+]cc1F 641306692 347570007 /nfs/dbraw/zinc/57/00/07/347570007.db2.gz MINSJAWHPNCEHT-ZETCQYMHSA-N 1 2 184.214 0.683 20 0 ACADLO C[C@H](CO)CNc1cc(CO)cc[nH+]1 641307152 347570125 /nfs/dbraw/zinc/57/01/25/347570125.db2.gz PGMPAAJPHULJIM-QMMMGPOBSA-N 1 2 196.250 0.614 20 0 ACADLO CNC(=O)CCNc1cc[nH+]cc1F 641300463 347570238 /nfs/dbraw/zinc/57/02/38/347570238.db2.gz CGKDAMZNSXYXHE-UHFFFAOYSA-N 1 2 197.213 0.191 20 0 ACADLO C[C@@H](CO)Nc1cc(CO)cc[nH+]1 641277976 347570282 /nfs/dbraw/zinc/57/02/82/347570282.db2.gz ZFIHCORZVQMLIW-ZETCQYMHSA-N 1 2 182.223 0.367 20 0 ACADLO C[C@@H](CO)CNc1cc(CO)cc[nH+]1 641307151 347570290 /nfs/dbraw/zinc/57/02/90/347570290.db2.gz PGMPAAJPHULJIM-MRVPVSSYSA-N 1 2 196.250 0.614 20 0 ACADLO C[C@H](O)CCNc1cc[nH+]cc1F 641377689 347570647 /nfs/dbraw/zinc/57/06/47/347570647.db2.gz INJBZSLRSYIENE-ZETCQYMHSA-N 1 2 184.214 0.825 20 0 ACADLO CC(C)(O)CNc1cc(CO)cc[nH+]1 641340625 347570810 /nfs/dbraw/zinc/57/08/10/347570810.db2.gz YXGVRDYYVUQAMC-UHFFFAOYSA-N 1 2 196.250 0.757 20 0 ACADLO O[C@@H](CNc1cc[nH+]cc1F)C1CC1 641342831 347570945 /nfs/dbraw/zinc/57/09/45/347570945.db2.gz ITWDFBAVUDFLTI-JTQLQIEISA-N 1 2 196.225 0.825 20 0 ACADLO O[C@H](CNc1cc[nH+]cc1F)C1CC1 641342832 347570996 /nfs/dbraw/zinc/57/09/96/347570996.db2.gz ITWDFBAVUDFLTI-SNVBAGLBSA-N 1 2 196.225 0.825 20 0 ACADLO C[C@@H](CCO)Nc1cc(CO)cc[nH+]1 641386093 347571429 /nfs/dbraw/zinc/57/14/29/347571429.db2.gz XWDVKDVEHMVWGH-QMMMGPOBSA-N 1 2 196.250 0.757 20 0 ACADLO Cn1c[nH+]c(CSc2nc[nH]n2)c1 641409750 347571436 /nfs/dbraw/zinc/57/14/36/347571436.db2.gz QBCYRHPNSUNHAE-UHFFFAOYSA-N 1 2 195.251 0.831 20 0 ACADLO C[C@H](CCO)Nc1cc(CO)cc[nH+]1 641386092 347571637 /nfs/dbraw/zinc/57/16/37/347571637.db2.gz XWDVKDVEHMVWGH-MRVPVSSYSA-N 1 2 196.250 0.757 20 0 ACADLO C[C@H](CC(N)=O)Nc1cc[nH+]cc1F 641391414 347571648 /nfs/dbraw/zinc/57/16/48/347571648.db2.gz GITWZKPNUALCKK-ZCFIWIBFSA-N 1 2 197.213 0.318 20 0 ACADLO C[C@@H](CC(N)=O)Nc1cc[nH+]cc1F 641391413 347571652 /nfs/dbraw/zinc/57/16/52/347571652.db2.gz GITWZKPNUALCKK-LURJTMIESA-N 1 2 197.213 0.318 20 0 ACADLO OCC1(CNc2cc[nH+]cc2F)CC1 641429498 347572444 /nfs/dbraw/zinc/57/24/44/347572444.db2.gz SRIPWWAQXZCJNL-UHFFFAOYSA-N 1 2 196.225 0.827 20 0 ACADLO OCc1cc[nH+]c(N[C@@H]2CCOC2)c1 641458349 347573103 /nfs/dbraw/zinc/57/31/03/347573103.db2.gz WTHZNXCWNXDBEA-SECBINFHSA-N 1 2 194.234 0.775 20 0 ACADLO Cc1noc(OCc2cn(C)c[nH+]2)n1 641450432 347573189 /nfs/dbraw/zinc/57/31/89/347573189.db2.gz IYLVGKYUALTBSC-UHFFFAOYSA-N 1 2 194.194 0.691 20 0 ACADLO OCC1(Nc2cc[nH+]cc2F)CCC1 641447687 347573232 /nfs/dbraw/zinc/57/32/32/347573232.db2.gz RCHVCNQKPZYICA-UHFFFAOYSA-N 1 2 196.225 0.970 20 0 ACADLO OCCCCNc1cc[nH+]cc1F 641541359 347575624 /nfs/dbraw/zinc/57/56/24/347575624.db2.gz BDIYGLRYTZWXBT-UHFFFAOYSA-N 1 2 184.214 0.827 20 0 ACADLO CC[C@H](O)CNc1cc[nH+]cc1F 641605584 347577625 /nfs/dbraw/zinc/57/76/25/347577625.db2.gz CDSTWMCVARFJBR-ZETCQYMHSA-N 1 2 184.214 0.825 20 0 ACADLO CC[C@H](O)CNc1cc(CO)cc[nH+]1 641608619 347577762 /nfs/dbraw/zinc/57/77/62/347577762.db2.gz ZQNUAAWGQAFPDE-VIFPVBQESA-N 1 2 196.250 0.757 20 0 ACADLO CN(CCC(N)=O)c1cc[nH+]cc1F 641596248 347577796 /nfs/dbraw/zinc/57/77/96/347577796.db2.gz SONWKTYTEUYHIW-UHFFFAOYSA-N 1 2 197.213 0.532 20 0 ACADLO CC[C@@H](O)CNc1cc(CO)cc[nH+]1 641641529 347578136 /nfs/dbraw/zinc/57/81/36/347578136.db2.gz ZQNUAAWGQAFPDE-SECBINFHSA-N 1 2 196.250 0.757 20 0 ACADLO O[C@@H]1CCC[C@H]1Nc1cc[nH+]cc1F 641627342 347578157 /nfs/dbraw/zinc/57/81/57/347578157.db2.gz NTBPHOKXIKFECC-NXEZZACHSA-N 1 2 196.225 0.968 20 0 ACADLO Cc1cc(N2CC([C@@H](C)O)C2)nc[nH+]1 641658013 347578165 /nfs/dbraw/zinc/57/81/65/347578165.db2.gz AWLVBMMRUVHQAH-MRVPVSSYSA-N 1 2 193.250 0.602 20 0 ACADLO Cc1cc(N2CC([C@H](C)O)C2)nc[nH+]1 641658014 347578182 /nfs/dbraw/zinc/57/81/82/347578182.db2.gz AWLVBMMRUVHQAH-QMMMGPOBSA-N 1 2 193.250 0.602 20 0 ACADLO O[C@H]1C[C@@H](Nc2cc[nH+]cc2F)C1 641624348 347578260 /nfs/dbraw/zinc/57/82/60/347578260.db2.gz VRKWXCPDSNCZHR-KNVOCYPGSA-N 1 2 182.198 0.578 20 0 ACADLO OCc1cc[nH+]c(N[C@H]2C[C@@H](O)C2)c1 641623454 347578361 /nfs/dbraw/zinc/57/83/61/347578361.db2.gz KWXNXNFIKNEMGM-DTORHVGOSA-N 1 2 194.234 0.509 20 0 ACADLO CC[C@@H](O)CNc1cc[nH+]cc1F 641638319 347578429 /nfs/dbraw/zinc/57/84/29/347578429.db2.gz CDSTWMCVARFJBR-SSDOTTSWSA-N 1 2 184.214 0.825 20 0 ACADLO Cc1nc(N2CC([C@@H](C)O)C2)cc[nH+]1 641660044 347578762 /nfs/dbraw/zinc/57/87/62/347578762.db2.gz VLBWCYPTGPIGOC-SSDOTTSWSA-N 1 2 193.250 0.602 20 0 ACADLO O[C@H]1C[C@H](Nc2cc[nH+]cc2F)C1 641672445 347578875 /nfs/dbraw/zinc/57/88/75/347578875.db2.gz VRKWXCPDSNCZHR-LJGSYFOKSA-N 1 2 182.198 0.578 20 0 ACADLO Cc1nc(N2CC([C@H](C)O)C2)cc[nH+]1 641660045 347578895 /nfs/dbraw/zinc/57/88/95/347578895.db2.gz VLBWCYPTGPIGOC-ZETCQYMHSA-N 1 2 193.250 0.602 20 0 ACADLO OCc1cc[nH+]c(N[C@H]2C[C@H](O)C2)c1 641672374 347579042 /nfs/dbraw/zinc/57/90/42/347579042.db2.gz KWXNXNFIKNEMGM-KYZUINATSA-N 1 2 194.234 0.509 20 0 ACADLO O[C@H]1C[C@@H](CNc2cc[nH+]cc2F)C1 641692205 347579369 /nfs/dbraw/zinc/57/93/69/347579369.db2.gz XNPZFXPVTMBWDF-OCAPTIKFSA-N 1 2 196.225 0.825 20 0 ACADLO OC[C@H]1C[C@@H](Nc2cc[nH+]cc2F)C1 641679775 347579651 /nfs/dbraw/zinc/57/96/51/347579651.db2.gz CDDSIVSVSRBYFD-OCAPTIKFSA-N 1 2 196.225 0.825 20 0 ACADLO O[C@H]1CCC[C@@H]1Nc1cc[nH+]cc1F 641683668 347579703 /nfs/dbraw/zinc/57/97/03/347579703.db2.gz NTBPHOKXIKFECC-UWVGGRQHSA-N 1 2 196.225 0.968 20 0 ACADLO COc1cnn(Cc2c[nH+]cn2C)c1 641727766 347581542 /nfs/dbraw/zinc/58/15/42/347581542.db2.gz YCTCSMKOWWGVRV-UHFFFAOYSA-N 1 2 192.222 0.674 20 0 ACADLO C1CC[NH+](Cc2nnnn2C2CC2)C1 641901420 347585944 /nfs/dbraw/zinc/58/59/44/347585944.db2.gz LJODQZRALXZCFO-UHFFFAOYSA-N 1 2 193.254 0.604 20 0 ACADLO c1cnc2nc(Cn3cc[nH+]c3)cn2c1 641853758 347586035 /nfs/dbraw/zinc/58/60/35/347586035.db2.gz UJBFZNAGCNFFGH-UHFFFAOYSA-N 1 2 199.217 0.974 20 0 ACADLO CC(C)COC[C@H](O)Cn1cc[nH+]c1 641937291 347586168 /nfs/dbraw/zinc/58/61/68/347586168.db2.gz CKUBBSYFXAHBLA-SNVBAGLBSA-N 1 2 198.266 0.917 20 0 ACADLO CC(C)COC[C@@H](O)Cn1cc[nH+]c1 641937290 347586189 /nfs/dbraw/zinc/58/61/89/347586189.db2.gz CKUBBSYFXAHBLA-JTQLQIEISA-N 1 2 198.266 0.917 20 0 ACADLO CC[NH+](CC)Cc1nnnn1C1CC1 641979164 347587246 /nfs/dbraw/zinc/58/72/46/347587246.db2.gz SLPVRKPKHJCIIM-UHFFFAOYSA-N 1 2 195.270 0.850 20 0 ACADLO O=C(CC1CC1)NCCn1cc[nH+]c1 642129170 347589508 /nfs/dbraw/zinc/58/95/08/347589508.db2.gz SFGJQXWIJJQKQF-UHFFFAOYSA-N 1 2 193.250 0.799 20 0 ACADLO Cc1nnc(C[N@@H+](C)C2CC2)o1 642189487 347590317 /nfs/dbraw/zinc/59/03/17/347590317.db2.gz UWJLJXGGDOQUEC-UHFFFAOYSA-N 1 2 167.212 0.972 20 0 ACADLO Cc1nnc(C[N@H+](C)C2CC2)o1 642189487 347590318 /nfs/dbraw/zinc/59/03/18/347590318.db2.gz UWJLJXGGDOQUEC-UHFFFAOYSA-N 1 2 167.212 0.972 20 0 ACADLO Cc1nnc(C[NH+]2CCSCC2)o1 642648706 347598455 /nfs/dbraw/zinc/59/84/55/347598455.db2.gz KFRTZARSSPEEMX-UHFFFAOYSA-N 1 2 199.279 0.927 20 0 ACADLO C[N@H+](Cc1nnnn1C1CC1)C1CC1 642635957 347598623 /nfs/dbraw/zinc/59/86/23/347598623.db2.gz XBBFNRQPOQKPDQ-UHFFFAOYSA-N 1 2 193.254 0.602 20 0 ACADLO C[N@@H+](Cc1nnnn1C1CC1)C1CC1 642635957 347598626 /nfs/dbraw/zinc/59/86/26/347598626.db2.gz XBBFNRQPOQKPDQ-UHFFFAOYSA-N 1 2 193.254 0.602 20 0 ACADLO CCS(=O)(=O)Nc1cc[nH+]cc1 5923964 351348396 /nfs/dbraw/zinc/34/83/96/351348396.db2.gz CXKNKXDJGHFMNC-UHFFFAOYSA-N 1 2 186.236 0.843 20 0 ACADLO c1cnn(CCn2cc[nH+]c2)c1 34245928 351436883 /nfs/dbraw/zinc/43/68/83/351436883.db2.gz OYPIQEFOJYVBRL-UHFFFAOYSA-N 1 2 162.196 0.780 20 0 ACADLO O[C@@H]1C[N@H+](Cc2ccccc2)CCO1 35572075 351450657 /nfs/dbraw/zinc/45/06/57/351450657.db2.gz STFMIOZCZXEYMU-NSHDSACASA-N 1 2 193.246 0.837 20 0 ACADLO O[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 35572075 351450660 /nfs/dbraw/zinc/45/06/60/351450660.db2.gz STFMIOZCZXEYMU-NSHDSACASA-N 1 2 193.246 0.837 20 0 ACADLO O[C@H]1C[N@H+](Cc2ccccc2)CCO1 35572077 351451074 /nfs/dbraw/zinc/45/10/74/351451074.db2.gz STFMIOZCZXEYMU-LLVKDONJSA-N 1 2 193.246 0.837 20 0 ACADLO O[C@H]1C[N@@H+](Cc2ccccc2)CCO1 35572077 351451081 /nfs/dbraw/zinc/45/10/81/351451081.db2.gz STFMIOZCZXEYMU-LLVKDONJSA-N 1 2 193.246 0.837 20 0 ACADLO c1cc(C[NH2+]C[C@H]2CCCO2)[nH]n1 36900089 351460342 /nfs/dbraw/zinc/46/03/42/351460342.db2.gz DSNNEWKVANPOLA-SECBINFHSA-N 1 2 181.239 0.678 20 0 ACADLO c1cc(C[NH2+]C[C@@H]2CCCO2)[nH]n1 36900088 351460368 /nfs/dbraw/zinc/46/03/68/351460368.db2.gz DSNNEWKVANPOLA-VIFPVBQESA-N 1 2 181.239 0.678 20 0 ACADLO c1n[nH]c(C[NH2+]C2CCSCC2)n1 37919656 351477040 /nfs/dbraw/zinc/47/70/40/351477040.db2.gz PGNWJLBYURUFML-UHFFFAOYSA-N 1 2 198.295 0.790 20 0 ACADLO c1n[nH]c(C[NH2+]C2CCOCC2)n1 37919664 351476707 /nfs/dbraw/zinc/47/67/07/351476707.db2.gz GLLKMBJXWWNBRI-UHFFFAOYSA-N 1 2 182.227 0.073 20 0 ACADLO c1n[nH]c(C[NH2+]C2CCCC2)n1 37919121 351477406 /nfs/dbraw/zinc/47/74/06/351477406.db2.gz XYJZAQDTAWEVQT-UHFFFAOYSA-N 1 2 166.228 0.837 20 0 ACADLO OCCNc1ccc([NH2+]CCO)cc1 38482249 351481366 /nfs/dbraw/zinc/48/13/66/351481366.db2.gz FCDKGTXZKZEBPA-UHFFFAOYSA-N 1 2 196.250 0.495 20 0 in-vitro ACADLO OCc1[nH+]cc2n1CCCC2 39341443 351500917 /nfs/dbraw/zinc/50/09/17/351500917.db2.gz ZVWIPJQDAQASCU-UHFFFAOYSA-N 1 2 152.197 0.712 20 0 ACADLO OCc1ccc(C[NH+]2CCOCC2)o1 40542583 351509229 /nfs/dbraw/zinc/50/92/29/351509229.db2.gz VIQVOXWJCFBEMT-UHFFFAOYSA-N 1 2 197.234 0.604 20 0 ACADLO CC(C)C[C@H](CO)[NH2+]Cc1ccn[nH]1 40775579 351511469 /nfs/dbraw/zinc/51/14/69/351511469.db2.gz PXPIDFCSSPXLJU-SNVBAGLBSA-N 1 2 197.282 0.906 20 0 ACADLO CC(C)C[C@@H](CO)[NH2+]Cc1ccn[nH]1 40775577 351511976 /nfs/dbraw/zinc/51/19/76/351511976.db2.gz PXPIDFCSSPXLJU-JTQLQIEISA-N 1 2 197.282 0.906 20 0 ACADLO c1cn(CCN2CCOCC2)c[nH+]1 41391475 351518500 /nfs/dbraw/zinc/51/85/00/351518500.db2.gz BFALMZGYARATBZ-UHFFFAOYSA-N 1 2 181.239 0.215 20 0 ACADLO c1cnn(CC[NH2+]Cc2ccn[nH]2)c1 42539455 351522956 /nfs/dbraw/zinc/52/29/56/351522956.db2.gz SVRPBIJTFPRYBW-UHFFFAOYSA-N 1 2 191.238 0.396 20 0 ACADLO CC(C)NC(=O)C[NH2+]Cc1ncc[nH]1 49714862 351550050 /nfs/dbraw/zinc/55/00/50/351550050.db2.gz GMCHMCFCNYKQSQ-UHFFFAOYSA-N 1 2 196.254 0.024 20 0 ACADLO CCCNC(=O)C[NH2+]Cc1ncc[nH]1 49714861 351550307 /nfs/dbraw/zinc/55/03/07/351550307.db2.gz QYUVLQFPCZTADG-UHFFFAOYSA-N 1 2 196.254 0.026 20 0 ACADLO O[C@@H]1CCC[N@H+](CC(F)F)C1 50103501 351551868 /nfs/dbraw/zinc/55/18/68/351551868.db2.gz RSXZMEFRBZYXRD-ZCFIWIBFSA-N 1 2 165.183 0.708 20 0 ACADLO OC[C@H]1CCC[N@H+](CC(F)F)C1 50104358 351551551 /nfs/dbraw/zinc/55/15/51/351551551.db2.gz FMOAJELEFWJSIM-ZETCQYMHSA-N 1 2 179.210 0.956 20 0 ACADLO OC[C@H]1CCC[N@@H+](CC(F)F)C1 50104358 351551557 /nfs/dbraw/zinc/55/15/57/351551557.db2.gz FMOAJELEFWJSIM-ZETCQYMHSA-N 1 2 179.210 0.956 20 0 ACADLO O[C@@H]1CCC[N@@H+](CC(F)F)C1 50103501 351551873 /nfs/dbraw/zinc/55/18/73/351551873.db2.gz RSXZMEFRBZYXRD-ZCFIWIBFSA-N 1 2 165.183 0.708 20 0 ACADLO OC[C@@H]1CCC[N@H+](CC(F)F)C1 50104359 351552066 /nfs/dbraw/zinc/55/20/66/351552066.db2.gz FMOAJELEFWJSIM-SSDOTTSWSA-N 1 2 179.210 0.956 20 0 ACADLO OC[C@@H]1CCC[N@@H+](CC(F)F)C1 50104359 351552067 /nfs/dbraw/zinc/55/20/67/351552067.db2.gz FMOAJELEFWJSIM-SSDOTTSWSA-N 1 2 179.210 0.956 20 0 ACADLO O[C@H]1CCC[N@H+](CC(F)F)C1 50103500 351552188 /nfs/dbraw/zinc/55/21/88/351552188.db2.gz RSXZMEFRBZYXRD-LURJTMIESA-N 1 2 165.183 0.708 20 0 ACADLO O[C@H]1CCC[N@@H+](CC(F)F)C1 50103500 351552190 /nfs/dbraw/zinc/55/21/90/351552190.db2.gz RSXZMEFRBZYXRD-LURJTMIESA-N 1 2 165.183 0.708 20 0 ACADLO OC[C@@H]1CCN(c2cccc[nH+]2)C1 51886368 351560447 /nfs/dbraw/zinc/56/04/47/351560447.db2.gz NLUBNFGAVCASSU-SECBINFHSA-N 1 2 178.235 0.900 20 0 ACADLO OC[C@H]1CCN(c2cccc[nH+]2)C1 51886367 351560655 /nfs/dbraw/zinc/56/06/55/351560655.db2.gz NLUBNFGAVCASSU-VIFPVBQESA-N 1 2 178.235 0.900 20 0 ACADLO O[C@H]1CCCC[C@@H]1[NH2+]Cc1ccn[nH]1 51997567 351562505 /nfs/dbraw/zinc/56/25/05/351562505.db2.gz NQRISWKZHAGLEN-UWVGGRQHSA-N 1 2 195.266 0.803 20 0 ACADLO O[C@@H]1CCCC[C@H]1[NH2+]Cc1ccn[nH]1 51997570 351562904 /nfs/dbraw/zinc/56/29/04/351562904.db2.gz NQRISWKZHAGLEN-NXEZZACHSA-N 1 2 195.266 0.803 20 0 ACADLO O[C@@H]1CC[N@H+](CC(F)F)C1 61709079 351583934 /nfs/dbraw/zinc/58/39/34/351583934.db2.gz GLSFKVZLDBCSSQ-RXMQYKEDSA-N 1 2 151.156 0.318 20 0 ACADLO O[C@@H]1CC[N@@H+](CC(F)F)C1 61709079 351583936 /nfs/dbraw/zinc/58/39/36/351583936.db2.gz GLSFKVZLDBCSSQ-RXMQYKEDSA-N 1 2 151.156 0.318 20 0 ACADLO O[C@H]1CC[N@H+](Cc2cscn2)C1 61707839 351584025 /nfs/dbraw/zinc/58/40/25/351584025.db2.gz MEGVKUCHSMUQQV-QMMMGPOBSA-N 1 2 184.264 0.710 20 0 ACADLO O[C@H]1CC[N@@H+](Cc2cscn2)C1 61707839 351584027 /nfs/dbraw/zinc/58/40/27/351584027.db2.gz MEGVKUCHSMUQQV-QMMMGPOBSA-N 1 2 184.264 0.710 20 0 ACADLO Cc1[nH]ncc1C[NH2+][C@H]1CCCOC1 69606451 351597673 /nfs/dbraw/zinc/59/76/73/351597673.db2.gz YZXMGMOWWWPVPL-JTQLQIEISA-N 1 2 195.266 0.987 20 0 ACADLO Cc1[nH]ncc1C[NH2+][C@@H]1CCCOC1 69606449 351597686 /nfs/dbraw/zinc/59/76/86/351597686.db2.gz YZXMGMOWWWPVPL-SNVBAGLBSA-N 1 2 195.266 0.987 20 0 ACADLO c1cc(C[NH2+][C@H]2CCOC2)[nH]n1 70968298 351608184 /nfs/dbraw/zinc/60/81/84/351608184.db2.gz BZPWVWFUTKQHND-QMMMGPOBSA-N 1 2 167.212 0.288 20 0 ACADLO Cn1cc[nH+]c1CNc1ncccn1 70853882 351608211 /nfs/dbraw/zinc/60/82/11/351608211.db2.gz DEXCOHBCRLUELR-UHFFFAOYSA-N 1 2 189.222 0.822 20 0 ACADLO c1cc(C[NH2+][C@@H]2CCOC2)[nH]n1 70968294 351608368 /nfs/dbraw/zinc/60/83/68/351608368.db2.gz BZPWVWFUTKQHND-MRVPVSSYSA-N 1 2 167.212 0.288 20 0 ACADLO Cn1cc[nH+]c1CNc1cnccn1 70853875 351608404 /nfs/dbraw/zinc/60/84/04/351608404.db2.gz CEYGNXJPBLWGHP-UHFFFAOYSA-N 1 2 189.222 0.822 20 0 ACADLO c1ccc(C[NH2+]C2COC2)nc1 71792171 351614099 /nfs/dbraw/zinc/61/40/99/351614099.db2.gz PPOBKBNRBVBBNZ-UHFFFAOYSA-N 1 2 164.208 0.570 20 0 ACADLO O=c1[nH]ccnc1Cc1c[nH]c[nH+]1 96034386 351679501 /nfs/dbraw/zinc/67/95/01/351679501.db2.gz WNHGPNKRACOKHY-UHFFFAOYSA-N 1 2 176.179 0.084 20 0 ACADLO COc1ccc[nH+]c1NCCCO 160199740 351755940 /nfs/dbraw/zinc/75/59/40/351755940.db2.gz NQGQHEZMZNZMLK-UHFFFAOYSA-N 1 2 258.317 4.015 20 0 ACADLO c1cc2c(n[nH+]1)CCN2 104692983 351714624 /nfs/dbraw/zinc/71/46/24/351714624.db2.gz FRTPMZHAGYILGC-UHFFFAOYSA-N 1 2 121.143 0.445 20 0 in-vitro ACADLO C[C@H]1C[NH2+][C@H](c2cccnc2)C(=O)N1 108301414 351720696 /nfs/dbraw/zinc/72/06/96/351720696.db2.gz KZHVLJSTSVBNHR-IONNQARKSA-N 1 2 191.234 0.231 20 0 ACADLO C[C@H]1C[NH2+][C@H](c2cccs2)C(=O)N1 108306403 351720713 /nfs/dbraw/zinc/72/07/13/351720713.db2.gz ABVAHAYDCFVVBG-POYBYMJQSA-N 1 2 196.275 0.897 20 0 ACADLO C[C@@H]1C[NH2+][C@@H](c2ccncc2)C(=O)N1 108301397 351720791 /nfs/dbraw/zinc/72/07/91/351720791.db2.gz JZFOJAXIEWCVIN-APPZFPTMSA-N 1 2 191.234 0.231 20 0 ACADLO C[C@H]1C[NH2+][C@@H](c2cccnc2)C(=O)N1 108301419 351721228 /nfs/dbraw/zinc/72/12/28/351721228.db2.gz KZHVLJSTSVBNHR-CBAPKCEASA-N 1 2 191.234 0.231 20 0 ACADLO C[C@@H]1C[NH2+][C@H](c2cccnc2)C(=O)N1 108301412 351721241 /nfs/dbraw/zinc/72/12/41/351721241.db2.gz KZHVLJSTSVBNHR-VXNVDRBHSA-N 1 2 191.234 0.231 20 0 ACADLO C[C@H]1C[NH2+][C@H](c2ccncc2)C(=O)N1 108301394 351721248 /nfs/dbraw/zinc/72/12/48/351721248.db2.gz JZFOJAXIEWCVIN-IONNQARKSA-N 1 2 191.234 0.231 20 0 ACADLO C[C@H]1C[NH2+][C@@H](c2cccs2)C(=O)N1 108306407 351721261 /nfs/dbraw/zinc/72/12/61/351721261.db2.gz ABVAHAYDCFVVBG-XPUUQOCRSA-N 1 2 196.275 0.897 20 0 ACADLO C[C@H]1C[NH2+][C@@H](c2ccncc2)C(=O)N1 108301400 351721307 /nfs/dbraw/zinc/72/13/07/351721307.db2.gz JZFOJAXIEWCVIN-CBAPKCEASA-N 1 2 191.234 0.231 20 0 ACADLO C[C@@H]1OCC[C@H]1[NH2+]Cc1ccn[nH]1 134059727 351737818 /nfs/dbraw/zinc/73/78/18/351737818.db2.gz OYZWCESCEKGMBT-IONNQARKSA-N 1 2 181.239 0.677 20 0 ACADLO C[C@@H]1OCC[C@@H]1[NH2+]Cc1ccn[nH]1 134060123 351737890 /nfs/dbraw/zinc/73/78/90/351737890.db2.gz OYZWCESCEKGMBT-CBAPKCEASA-N 1 2 181.239 0.677 20 0 ACADLO COc1ccc[nH+]c1N1CCOCC1 137793281 351742135 /nfs/dbraw/zinc/74/21/35/351742135.db2.gz HASYVDSYCYHTDY-UHFFFAOYSA-N 1 2 194.234 0.927 20 0 ACADLO COc1ccc[nH+]c1N[C@H](C)CO 160206080 351755384 /nfs/dbraw/zinc/75/53/84/351755384.db2.gz RKMKLAMSLSLPSU-SSDOTTSWSA-N 1 2 182.223 0.883 20 0 ACADLO COc1ccc[nH+]c1N[C@@H](C)CO 160205892 351755788 /nfs/dbraw/zinc/75/57/88/351755788.db2.gz RKMKLAMSLSLPSU-ZETCQYMHSA-N 1 2 182.223 0.883 20 0 ACADLO COc1ccc[nH+]c1NCCO 160199161 351756131 /nfs/dbraw/zinc/75/61/31/351756131.db2.gz TWESLQVXCPYHDG-UHFFFAOYSA-N 1 2 168.196 0.494 20 0 ACADLO CC(=O)N[C@@H]1CCn2cc[nH+]c2C1 169798139 351771227 /nfs/dbraw/zinc/77/12/27/351771227.db2.gz XWOMMRWUNNXVKP-MRVPVSSYSA-N 1 2 179.223 0.334 20 0 ACADLO CCC(=O)N[C@H]1CCn2c[nH+]cc2C1 169798298 351771388 /nfs/dbraw/zinc/77/13/88/351771388.db2.gz FJJCXBKWFTWHBQ-QMMMGPOBSA-N 1 2 193.250 0.724 20 0 ACADLO CC(=O)N[C@H]1CCn2cc[nH+]c2C1 169798140 351771473 /nfs/dbraw/zinc/77/14/73/351771473.db2.gz XWOMMRWUNNXVKP-QMMMGPOBSA-N 1 2 179.223 0.334 20 0 ACADLO CCC(=O)N[C@@H]1CCn2c[nH+]cc2C1 169798297 351771506 /nfs/dbraw/zinc/77/15/06/351771506.db2.gz FJJCXBKWFTWHBQ-MRVPVSSYSA-N 1 2 193.250 0.724 20 0 ACADLO Cc1cccn2cc(CC(N)=O)[nH+]c12 196316954 351775581 /nfs/dbraw/zinc/77/55/81/351775581.db2.gz ZHGWJYWYGXQQMZ-UHFFFAOYSA-N 1 2 189.218 0.671 20 0 ACADLO CCOc1c[nH+]c(C)nc1N 204979542 351783967 /nfs/dbraw/zinc/78/39/67/351783967.db2.gz XOOSHJGMZWXIFI-UHFFFAOYSA-N 1 2 153.185 0.766 20 0 ACADLO COC1C[NH+](Cc2cccnc2)C1 238872891 351826621 /nfs/dbraw/zinc/82/66/21/351826621.db2.gz NILBOVLCEFPPGK-UHFFFAOYSA-N 1 2 178.235 0.912 20 0 ACADLO COC1C[NH+](Cc2ccccn2)C1 238867482 351826670 /nfs/dbraw/zinc/82/66/70/351826670.db2.gz MCLZNHADRDPMGT-UHFFFAOYSA-N 1 2 178.235 0.912 20 0 ACADLO Cc1c[nH]c(CN2CCOCC2)[nH+]1 257919499 351855496 /nfs/dbraw/zinc/85/54/96/351855496.db2.gz RDDRGIHFTIHYOJ-UHFFFAOYSA-N 1 2 181.239 0.550 20 0 ACADLO COC[C@]1(C(=O)OC)CCCC[NH2+]1 258070461 351858407 /nfs/dbraw/zinc/85/84/07/351858407.db2.gz UJMDSNOBIJSNEZ-VIFPVBQESA-N 1 2 187.239 0.318 20 0 in-vitro ACADLO CCn1c[nH+]cc1CN1CCOCC1 258268323 351861004 /nfs/dbraw/zinc/86/10/04/351861004.db2.gz SKGXLLVVNOOJMN-UHFFFAOYSA-N 1 2 195.266 0.735 20 0 ACADLO O[C@@H]1COC[C@@H]1[N@@H+]1CCC=C(F)C1 306150096 351899717 /nfs/dbraw/zinc/89/97/17/351899717.db2.gz ARQZAXBTTARVIF-DTWKUNHWSA-N 1 2 187.214 0.305 20 0 ACADLO O[C@@H]1COC[C@@H]1[N@H+]1CCC=C(F)C1 306150096 351899721 /nfs/dbraw/zinc/89/97/21/351899721.db2.gz ARQZAXBTTARVIF-DTWKUNHWSA-N 1 2 187.214 0.305 20 0 ACADLO O[C@@H]1COC[C@H]1[N@@H+]1CCC=C(F)C1 306150105 351900018 /nfs/dbraw/zinc/90/00/18/351900018.db2.gz ARQZAXBTTARVIF-RKDXNWHRSA-N 1 2 187.214 0.305 20 0 ACADLO O[C@@H]1COC[C@H]1[N@H+]1CCC=C(F)C1 306150105 351900021 /nfs/dbraw/zinc/90/00/21/351900021.db2.gz ARQZAXBTTARVIF-RKDXNWHRSA-N 1 2 187.214 0.305 20 0 ACADLO C[N@H+](Cc1nccc(N)n1)C1CC1 306156826 351901779 /nfs/dbraw/zinc/90/17/79/351901779.db2.gz LESNELWRPSKPJO-UHFFFAOYSA-N 1 2 178.239 0.653 20 0 ACADLO C[N@@H+](Cc1nccc(N)n1)C1CC1 306156826 351901781 /nfs/dbraw/zinc/90/17/81/351901781.db2.gz LESNELWRPSKPJO-UHFFFAOYSA-N 1 2 178.239 0.653 20 0 ACADLO Cn1nnnc1C[N@H+](C)C1CCC1 306158007 351903505 /nfs/dbraw/zinc/90/35/05/351903505.db2.gz CZQOECCTPSOZQA-UHFFFAOYSA-N 1 2 181.243 0.194 20 0 ACADLO Cn1nnnc1C[N@@H+](C)C1CCC1 306158007 351903508 /nfs/dbraw/zinc/90/35/08/351903508.db2.gz CZQOECCTPSOZQA-UHFFFAOYSA-N 1 2 181.243 0.194 20 0 ACADLO C[C@@H]1COCCN1Cc1c[nH+]c[nH]1 306204594 351906477 /nfs/dbraw/zinc/90/64/77/351906477.db2.gz DVHRVOGHYVKVJJ-MRVPVSSYSA-N 1 2 181.239 0.630 20 0 ACADLO O[C@H]1CCC[N@H+](Cc2ncc[nH]2)C1 306252078 351912915 /nfs/dbraw/zinc/91/29/15/351912915.db2.gz FWXVYTUPYRDWNG-QMMMGPOBSA-N 1 2 181.239 0.366 20 0 ACADLO O[C@H]1CCC[N@@H+](Cc2ncc[nH]2)C1 306252078 351912918 /nfs/dbraw/zinc/91/29/18/351912918.db2.gz FWXVYTUPYRDWNG-QMMMGPOBSA-N 1 2 181.239 0.366 20 0 ACADLO C[C@@H]1C[N@H+](Cc2ccno2)CCO1 306275520 351914332 /nfs/dbraw/zinc/91/43/32/351914332.db2.gz GLEMULDTTUHRBY-MRVPVSSYSA-N 1 2 182.223 0.895 20 0 ACADLO C[C@@H]1C[N@@H+](Cc2ccno2)CCO1 306275520 351914335 /nfs/dbraw/zinc/91/43/35/351914335.db2.gz GLEMULDTTUHRBY-MRVPVSSYSA-N 1 2 182.223 0.895 20 0 ACADLO Cc1nc(N[C@@H]2CC2(C)C)nc(N)[nH+]1 306281992 351915768 /nfs/dbraw/zinc/91/57/68/351915768.db2.gz MGEYKNSNAHQBPJ-ZCFIWIBFSA-N 1 2 193.254 0.973 20 0 ACADLO Cc1nc(N)nc(N[C@@H]2CC2(C)C)[nH+]1 306281992 351915773 /nfs/dbraw/zinc/91/57/73/351915773.db2.gz MGEYKNSNAHQBPJ-ZCFIWIBFSA-N 1 2 193.254 0.973 20 0 ACADLO Cc1nc(N[C@H]2CC2(C)C)nc(N)[nH+]1 306281991 351915803 /nfs/dbraw/zinc/91/58/03/351915803.db2.gz MGEYKNSNAHQBPJ-LURJTMIESA-N 1 2 193.254 0.973 20 0 ACADLO Cc1nc(N)nc(N[C@H]2CC2(C)C)[nH+]1 306281991 351915808 /nfs/dbraw/zinc/91/58/08/351915808.db2.gz MGEYKNSNAHQBPJ-LURJTMIESA-N 1 2 193.254 0.973 20 0 ACADLO C[C@@H]1CN(Cc2c[nH+]c[nH]2)CCO1 306289120 351917082 /nfs/dbraw/zinc/91/70/82/351917082.db2.gz NVPQOPXEUFRNEC-MRVPVSSYSA-N 1 2 181.239 0.630 20 0 ACADLO c1nc(C[N@@H+]2CCCOCC2)c[nH]1 306328212 351920482 /nfs/dbraw/zinc/92/04/82/351920482.db2.gz YGPRZMOKURMVDI-UHFFFAOYSA-N 1 2 181.239 0.632 20 0 ACADLO c1nc(C[N@H+]2CCCOCC2)c[nH]1 306328212 351920486 /nfs/dbraw/zinc/92/04/86/351920486.db2.gz YGPRZMOKURMVDI-UHFFFAOYSA-N 1 2 181.239 0.632 20 0 ACADLO c1ncc(C[N@@H+]2CCCOCC2)[nH]1 306328212 351920488 /nfs/dbraw/zinc/92/04/88/351920488.db2.gz YGPRZMOKURMVDI-UHFFFAOYSA-N 1 2 181.239 0.632 20 0 ACADLO c1ncc(C[N@H+]2CCCOCC2)[nH]1 306328212 351920489 /nfs/dbraw/zinc/92/04/89/351920489.db2.gz YGPRZMOKURMVDI-UHFFFAOYSA-N 1 2 181.239 0.632 20 0 ACADLO C[C@@H]1CN(Cc2[nH]cc[nH+]2)CCO1 306363435 351923326 /nfs/dbraw/zinc/92/33/26/351923326.db2.gz XZTJJFSQDPECIA-MRVPVSSYSA-N 1 2 181.239 0.630 20 0 ACADLO C[C@@H]1COCC[N@@H+]1Cc1ccno1 306369934 351923987 /nfs/dbraw/zinc/92/39/87/351923987.db2.gz MKMYNPPZINZOMP-MRVPVSSYSA-N 1 2 182.223 0.895 20 0 ACADLO C[C@@H]1COCC[N@H+]1Cc1ccno1 306369934 351923990 /nfs/dbraw/zinc/92/39/90/351923990.db2.gz MKMYNPPZINZOMP-MRVPVSSYSA-N 1 2 182.223 0.895 20 0 ACADLO Cc1ncccc1C[NH+]1CC(C)(O)C1 306376561 351924469 /nfs/dbraw/zinc/92/44/69/351924469.db2.gz ZFJMIWLUAOXEON-UHFFFAOYSA-N 1 2 192.262 0.957 20 0 ACADLO OCC1CC[NH+](Cc2ncc[nH]2)CC1 306561316 351945797 /nfs/dbraw/zinc/94/57/97/351945797.db2.gz SSPAKKCVAKXGIQ-UHFFFAOYSA-N 1 2 195.266 0.614 20 0 ACADLO O[C@@H]1CCC[N@H+](Cc2ccon2)C1 306641187 351953017 /nfs/dbraw/zinc/95/30/17/351953017.db2.gz LLCZFBAPSMFABT-SECBINFHSA-N 1 2 182.223 0.631 20 0 ACADLO O[C@@H]1CCC[N@@H+](Cc2ccon2)C1 306641187 351953018 /nfs/dbraw/zinc/95/30/18/351953018.db2.gz LLCZFBAPSMFABT-SECBINFHSA-N 1 2 182.223 0.631 20 0 ACADLO CC(C)=CC[N@H+]1CCN(C)C(=O)C1 306754439 351962287 /nfs/dbraw/zinc/96/22/87/351962287.db2.gz KDGIEIXGGOIRLD-UHFFFAOYSA-N 1 2 182.267 0.727 20 0 ACADLO CC(C)=CC[N@@H+]1CCN(C)C(=O)C1 306754439 351962289 /nfs/dbraw/zinc/96/22/89/351962289.db2.gz KDGIEIXGGOIRLD-UHFFFAOYSA-N 1 2 182.267 0.727 20 0 ACADLO CCn1cc[nH+]c1CNC(=O)NC 306766348 351963390 /nfs/dbraw/zinc/96/33/90/351963390.db2.gz BLYAKXKDQPYCMW-UHFFFAOYSA-N 1 2 182.227 0.332 20 0 ACADLO c1ncc(C[NH+]2CCSCC2)[nH]1 307128758 351988555 /nfs/dbraw/zinc/98/85/55/351988555.db2.gz JPZGVERWWMISNC-UHFFFAOYSA-N 1 2 183.280 0.959 20 0 ACADLO c1nc(C[NH+]2CCSCC2)c[nH]1 307128758 351988559 /nfs/dbraw/zinc/98/85/59/351988559.db2.gz JPZGVERWWMISNC-UHFFFAOYSA-N 1 2 183.280 0.959 20 0 ACADLO C[C@@]1(C(=O)NCc2[nH]cc[nH+]2)C[C@@H]1F 307145930 351989952 /nfs/dbraw/zinc/98/99/52/351989952.db2.gz NBOBDJHRXGVYEU-IMTBSYHQSA-N 1 2 197.213 0.774 20 0 ACADLO C[C@@]1(C(=O)NCc2[nH]cc[nH+]2)C[C@H]1F 307145929 351990185 /nfs/dbraw/zinc/99/01/85/351990185.db2.gz NBOBDJHRXGVYEU-HZGVNTEJSA-N 1 2 197.213 0.774 20 0 ACADLO C[C@@H]1C[N@H+](CCCF)CC[S@@]1=O 307188114 351992810 /nfs/dbraw/zinc/99/28/10/351992810.db2.gz AVUKLUCZOAHDQV-PELKAZGASA-N 1 2 193.287 0.799 20 0 ACADLO C[C@@H]1C[N@@H+](CCCF)CC[S@@]1=O 307188114 351992814 /nfs/dbraw/zinc/99/28/14/351992814.db2.gz AVUKLUCZOAHDQV-PELKAZGASA-N 1 2 193.287 0.799 20 0 ACADLO C[C@@H]1C[N@H+](CCCF)CC[S@]1=O 307188113 351992829 /nfs/dbraw/zinc/99/28/29/351992829.db2.gz AVUKLUCZOAHDQV-PRHODGIISA-N 1 2 193.287 0.799 20 0 ACADLO C[C@@H]1C[N@@H+](CCCF)CC[S@]1=O 307188113 351992832 /nfs/dbraw/zinc/99/28/32/351992832.db2.gz AVUKLUCZOAHDQV-PRHODGIISA-N 1 2 193.287 0.799 20 0 ACADLO O[C@@H]1CCC[N@H+](Cc2ncc[nH]2)C1 307258902 351998811 /nfs/dbraw/zinc/99/88/11/351998811.db2.gz FWXVYTUPYRDWNG-MRVPVSSYSA-N 1 2 181.239 0.366 20 0 ACADLO O[C@@H]1CCC[N@@H+](Cc2ncc[nH]2)C1 307258902 351998815 /nfs/dbraw/zinc/99/88/15/351998815.db2.gz FWXVYTUPYRDWNG-MRVPVSSYSA-N 1 2 181.239 0.366 20 0 ACADLO C[C@@H]1CC[N@H+](Cc2cn[nH]n2)C1 307301668 352002175 /nfs/dbraw/zinc/00/21/75/352002175.db2.gz XWWJQCNEJYKRPM-SSDOTTSWSA-N 1 2 166.228 0.647 20 0 ACADLO C[C@@H]1CC[N@@H+](Cc2cn[nH]n2)C1 307301668 352002178 /nfs/dbraw/zinc/00/21/78/352002178.db2.gz XWWJQCNEJYKRPM-SSDOTTSWSA-N 1 2 166.228 0.647 20 0 ACADLO CC(C)=CC[N@@H+]1CCNC(=O)[C@H]1C 307431748 352012962 /nfs/dbraw/zinc/01/29/62/352012962.db2.gz XLYQQMJJMTZRLX-SECBINFHSA-N 1 2 182.267 0.773 20 0 ACADLO CC(C)=CC[N@H+]1CCNC(=O)[C@H]1C 307431748 352012964 /nfs/dbraw/zinc/01/29/64/352012964.db2.gz XLYQQMJJMTZRLX-SECBINFHSA-N 1 2 182.267 0.773 20 0 ACADLO CC(C)=CC[N@@H+]1CCNC(=O)[C@@H]1C 307431749 352012998 /nfs/dbraw/zinc/01/29/98/352012998.db2.gz XLYQQMJJMTZRLX-VIFPVBQESA-N 1 2 182.267 0.773 20 0 ACADLO CC(C)=CC[N@H+]1CCNC(=O)[C@@H]1C 307431749 352013001 /nfs/dbraw/zinc/01/30/01/352013001.db2.gz XLYQQMJJMTZRLX-VIFPVBQESA-N 1 2 182.267 0.773 20 0 ACADLO C[C@H](O)C[N@H+]1CCc2cn[nH]c2C1 307522570 352020070 /nfs/dbraw/zinc/02/00/70/352020070.db2.gz PQKRKZSPMUMVAN-ZETCQYMHSA-N 1 2 181.239 0.149 20 0 ACADLO C[C@@H](O)C[N@@H+]1CCc2cn[nH]c2C1 307522555 352020138 /nfs/dbraw/zinc/02/01/38/352020138.db2.gz PQKRKZSPMUMVAN-SSDOTTSWSA-N 1 2 181.239 0.149 20 0 ACADLO C[C@@H](O)C[N@H+]1CCc2cn[nH]c2C1 307522555 352020139 /nfs/dbraw/zinc/02/01/39/352020139.db2.gz PQKRKZSPMUMVAN-SSDOTTSWSA-N 1 2 181.239 0.149 20 0 ACADLO CCC(=O)NCc1[nH]c[nH+]c1C 307679694 352031167 /nfs/dbraw/zinc/03/11/67/352031167.db2.gz MYHPNJIZUUKRJN-UHFFFAOYSA-N 1 2 167.212 0.744 20 0 ACADLO C[C@@]1(C(=O)NCc2c[nH+]c[nH]2)C[C@H]1F 307688889 352032400 /nfs/dbraw/zinc/03/24/00/352032400.db2.gz IXAMQHUOWBMGDT-VXNVDRBHSA-N 1 2 197.213 0.774 20 0 ACADLO C[C@@]1(C(=O)NCc2c[nH]c[nH+]2)C[C@H]1F 307688889 352032405 /nfs/dbraw/zinc/03/24/05/352032405.db2.gz IXAMQHUOWBMGDT-VXNVDRBHSA-N 1 2 197.213 0.774 20 0 ACADLO C[C@@]1(C(=O)NCc2c[nH+]c[nH]2)C[C@@H]1F 307688888 352032541 /nfs/dbraw/zinc/03/25/41/352032541.db2.gz IXAMQHUOWBMGDT-IONNQARKSA-N 1 2 197.213 0.774 20 0 ACADLO C[C@@]1(C(=O)NCc2c[nH]c[nH+]2)C[C@@H]1F 307688888 352032543 /nfs/dbraw/zinc/03/25/43/352032543.db2.gz IXAMQHUOWBMGDT-IONNQARKSA-N 1 2 197.213 0.774 20 0 ACADLO Cc1[nH]ncc1C[NH2+][C@H]1CCC[C@@H]1O 307717592 352035187 /nfs/dbraw/zinc/03/51/87/352035187.db2.gz JXWOKKXEODRGAB-UWVGGRQHSA-N 1 2 195.266 0.721 20 0 ACADLO C[C@@H]1CC[N@H+](CCO)CC1(F)F 307726754 352035982 /nfs/dbraw/zinc/03/59/82/352035982.db2.gz CNHWNVJTYDJIDL-SSDOTTSWSA-N 1 2 179.210 0.956 20 0 ACADLO C[C@@H]1CC[N@@H+](CCO)CC1(F)F 307726754 352035986 /nfs/dbraw/zinc/03/59/86/352035986.db2.gz CNHWNVJTYDJIDL-SSDOTTSWSA-N 1 2 179.210 0.956 20 0 ACADLO CC[C@@H](C(N)=O)[N@@H+]1CCC=C(F)C1 307751243 352038348 /nfs/dbraw/zinc/03/83/48/352038348.db2.gz NFSZLPPKEDOWMZ-QMMMGPOBSA-N 1 2 186.230 0.809 20 0 ACADLO CC[C@@H](C(N)=O)[N@H+]1CCC=C(F)C1 307751243 352038351 /nfs/dbraw/zinc/03/83/51/352038351.db2.gz NFSZLPPKEDOWMZ-QMMMGPOBSA-N 1 2 186.230 0.809 20 0 ACADLO C[C@@H]1C[N@H+](Cc2ccnn2C)CCO1 334189684 352058458 /nfs/dbraw/zinc/05/84/58/352058458.db2.gz GRZNCUYJCWZOIK-SECBINFHSA-N 1 2 195.266 0.641 20 0 ACADLO C[C@@H]1C[N@@H+](Cc2ccnn2C)CCO1 334189684 352058460 /nfs/dbraw/zinc/05/84/60/352058460.db2.gz GRZNCUYJCWZOIK-SECBINFHSA-N 1 2 195.266 0.641 20 0 ACADLO C[C@@H]1COCC[N@@H+]1Cc1ccnn1C 334230746 352059721 /nfs/dbraw/zinc/05/97/21/352059721.db2.gz SHPATTADCMUUGB-SECBINFHSA-N 1 2 195.266 0.641 20 0 ACADLO C[C@@H]1COCC[N@H+]1Cc1ccnn1C 334230746 352059722 /nfs/dbraw/zinc/05/97/22/352059722.db2.gz SHPATTADCMUUGB-SECBINFHSA-N 1 2 195.266 0.641 20 0 ACADLO C[C@@H]1COCC[N@H+](Cc2ncc[nH]2)C1 334370228 352067241 /nfs/dbraw/zinc/06/72/41/352067241.db2.gz VQAGVXOGDQMUIO-VIFPVBQESA-N 1 2 195.266 0.878 20 0 ACADLO C[C@@H]1COCC[N@@H+](Cc2ncc[nH]2)C1 334370228 352067243 /nfs/dbraw/zinc/06/72/43/352067243.db2.gz VQAGVXOGDQMUIO-VIFPVBQESA-N 1 2 195.266 0.878 20 0 ACADLO C[C@@H]1CN(Cc2c[nH+]cn2C)CCO1 334397600 352068107 /nfs/dbraw/zinc/06/81/07/352068107.db2.gz CSPCOMONWQIQHT-SECBINFHSA-N 1 2 195.266 0.641 20 0 ACADLO OC[C@@]1(F)CCN(c2cccc[nH+]2)C1 334470246 352072209 /nfs/dbraw/zinc/07/22/09/352072209.db2.gz FLSUUNXRKSLSSY-SNVBAGLBSA-N 1 2 196.225 0.992 20 0 ACADLO C[C@@H]1COCC[N@@H+]1Cc1cnn(C)c1 334571384 352076021 /nfs/dbraw/zinc/07/60/21/352076021.db2.gz JVCVTZRVWQYEFJ-SECBINFHSA-N 1 2 195.266 0.641 20 0 ACADLO C[C@@H]1COCC[N@H+]1Cc1cnn(C)c1 334571384 352076024 /nfs/dbraw/zinc/07/60/24/352076024.db2.gz JVCVTZRVWQYEFJ-SECBINFHSA-N 1 2 195.266 0.641 20 0 ACADLO C[C@@H]1CN(Cc2[nH+]ccn2C)CCO1 334721983 352080792 /nfs/dbraw/zinc/08/07/92/352080792.db2.gz FXCCUJGJDSOVEB-SECBINFHSA-N 1 2 195.266 0.641 20 0 ACADLO CC(C)C[NH+]1CC(S(C)(=O)=O)C1 334937094 352085314 /nfs/dbraw/zinc/08/53/14/352085314.db2.gz TVIYTBBYIMQTDA-UHFFFAOYSA-N 1 2 191.296 0.371 20 0 ACADLO CC(C)(O)C[NH+]1CC(O)(C(F)F)C1 335279038 352093060 /nfs/dbraw/zinc/09/30/60/352093060.db2.gz FETUOEIQXAGJSC-UHFFFAOYSA-N 1 2 195.209 0.069 20 0 ACADLO CC(C)=CC[N@@H+]1CC(=O)N[C@H](C)C1 335406784 352097451 /nfs/dbraw/zinc/09/74/51/352097451.db2.gz OYLJOFNKQUTFML-SECBINFHSA-N 1 2 182.267 0.773 20 0 ACADLO CC(C)=CC[N@H+]1CC(=O)N[C@H](C)C1 335406784 352097453 /nfs/dbraw/zinc/09/74/53/352097453.db2.gz OYLJOFNKQUTFML-SECBINFHSA-N 1 2 182.267 0.773 20 0 ACADLO CC(C)=CC[N@H+]1CC(=O)N[C@@H](C)C1 335406802 352097631 /nfs/dbraw/zinc/09/76/31/352097631.db2.gz OYLJOFNKQUTFML-VIFPVBQESA-N 1 2 182.267 0.773 20 0 ACADLO c1[nH]c(CN2CCOCC23CC3)c[nH+]1 335668590 352108508 /nfs/dbraw/zinc/10/85/08/352108508.db2.gz ROHIPVPMCMACIK-UHFFFAOYSA-N 1 2 193.250 0.775 20 0 ACADLO c1[nH]cc(CN2CCOCC23CC3)[nH+]1 335668590 352108512 /nfs/dbraw/zinc/10/85/12/352108512.db2.gz ROHIPVPMCMACIK-UHFFFAOYSA-N 1 2 193.250 0.775 20 0 ACADLO C[C@@H]1CCC[N@@H+]1Cc1cn[nH]n1 336194289 352128668 /nfs/dbraw/zinc/12/86/68/352128668.db2.gz DWDYBOFNYRBMQZ-SSDOTTSWSA-N 1 2 166.228 0.789 20 0 ACADLO OCC[N@@H+]1CCO[C@@H](c2ccco2)C1 336553068 352146459 /nfs/dbraw/zinc/14/64/59/352146459.db2.gz YEYOEWPQZPHTKQ-SNVBAGLBSA-N 1 2 197.234 0.645 20 0 ACADLO OCC[N@H+]1CCO[C@@H](c2ccco2)C1 336553068 352146462 /nfs/dbraw/zinc/14/64/62/352146462.db2.gz YEYOEWPQZPHTKQ-SNVBAGLBSA-N 1 2 197.234 0.645 20 0 ACADLO OCC[N@@H+]1CCO[C@H](c2ccco2)C1 336553067 352146526 /nfs/dbraw/zinc/14/65/26/352146526.db2.gz YEYOEWPQZPHTKQ-JTQLQIEISA-N 1 2 197.234 0.645 20 0 ACADLO OCC[N@H+]1CCO[C@H](c2ccco2)C1 336553067 352146530 /nfs/dbraw/zinc/14/65/30/352146530.db2.gz YEYOEWPQZPHTKQ-JTQLQIEISA-N 1 2 197.234 0.645 20 0 ACADLO CCCC[N@H+](C)Cc1nnnn1C 379371176 352152982 /nfs/dbraw/zinc/15/29/82/352152982.db2.gz HMFKVQBDMSPMTM-UHFFFAOYSA-N 1 2 183.259 0.442 20 0 ACADLO CCCC[N@@H+](C)Cc1nnnn1C 379371176 352152984 /nfs/dbraw/zinc/15/29/84/352152984.db2.gz HMFKVQBDMSPMTM-UHFFFAOYSA-N 1 2 183.259 0.442 20 0 ACADLO COC(=O)CC[N@H+](C)Cc1ncc[nH]1 393659078 352154190 /nfs/dbraw/zinc/15/41/90/352154190.db2.gz NVYQWQHWBPBKGR-UHFFFAOYSA-N 1 2 197.238 0.405 20 0 ACADLO COC(=O)CC[N@@H+](C)Cc1ncc[nH]1 393659078 352154193 /nfs/dbraw/zinc/15/41/93/352154193.db2.gz NVYQWQHWBPBKGR-UHFFFAOYSA-N 1 2 197.238 0.405 20 0 ACADLO COC(=O)[C@@H]1[NH2+]C[C@@]12C[C@H]2C 521400829 352163357 /nfs/dbraw/zinc/16/33/57/352163357.db2.gz QMBKYBYWSDLNCS-GKROBHDKSA-N 1 2 155.197 0.157 20 0 ACADLO COC(=O)[C@@H]1[NH2+]C[C@]12C[C@H]2C 521400826 352163414 /nfs/dbraw/zinc/16/34/14/352163414.db2.gz QMBKYBYWSDLNCS-CHKWXVPMSA-N 1 2 155.197 0.157 20 0 ACADLO COC(=O)[C@@H]1[NH2+]CC12CCC2 521401181 352163463 /nfs/dbraw/zinc/16/34/63/352163463.db2.gz VBIWQAICRUVMCB-LURJTMIESA-N 1 2 155.197 0.302 20 0 ACADLO COC(=O)[C@@H]1[NH2+]C[C@]12C[C@@H]2C 521400837 352163475 /nfs/dbraw/zinc/16/34/75/352163475.db2.gz QMBKYBYWSDLNCS-HAFWLYHUSA-N 1 2 155.197 0.157 20 0 ACADLO COC(=O)[C@@H]1[NH2+]C[C@@]12CC[C@@H]2C 521400860 352163489 /nfs/dbraw/zinc/16/34/89/352163489.db2.gz RHUPNQUMXRPWKM-ACLDMZEESA-N 1 2 169.224 0.548 20 0 ACADLO COC(=O)[C@@H]1[NH2+]C[C@@]12CC[C@@H](C)C2 521400938 352163529 /nfs/dbraw/zinc/16/35/29/352163529.db2.gz SBCXYKRFLAZHRC-WEDXCCLWSA-N 1 2 183.251 0.938 20 0 ACADLO COC(=O)[C@@H]1[NH2+]C[C@]12CC[C@H]2C 521400863 352163555 /nfs/dbraw/zinc/16/35/55/352163555.db2.gz RHUPNQUMXRPWKM-FJXKBIBVSA-N 1 2 169.224 0.548 20 0 ACADLO COC(=O)[C@@H]1[NH2+]C[C@]12CC[C@@H]2C 521400864 352163594 /nfs/dbraw/zinc/16/35/94/352163594.db2.gz RHUPNQUMXRPWKM-ZKWXMUAHSA-N 1 2 169.224 0.548 20 0 ACADLO COC(=O)[C@@H]1[NH2+]C[C@@]12C[C@@H]2C 521400838 352163644 /nfs/dbraw/zinc/16/36/44/352163644.db2.gz QMBKYBYWSDLNCS-VMHSAVOQSA-N 1 2 155.197 0.157 20 0 ACADLO COC(=O)[C@@H]1[NH2+]C[C@]12CC[C@@H](C)C2 521400925 352163649 /nfs/dbraw/zinc/16/36/49/352163649.db2.gz SBCXYKRFLAZHRC-KHQFGBGNSA-N 1 2 183.251 0.938 20 0 ACADLO COC(=O)[C@@H]1[NH2+]C[C@@]12CC[C@H](C)C2 521400930 352163653 /nfs/dbraw/zinc/16/36/53/352163653.db2.gz SBCXYKRFLAZHRC-NRPADANISA-N 1 2 183.251 0.938 20 0 ACADLO COC(=O)[C@@H]1[NH2+]C[C@@]12CC[C@H]2C 521400861 352163711 /nfs/dbraw/zinc/16/37/11/352163711.db2.gz RHUPNQUMXRPWKM-BKPPORCPSA-N 1 2 169.224 0.548 20 0 ACADLO COC(=O)[C@@H]1[NH2+]C[C@]12CC[C@H](C)C2 521400935 352163739 /nfs/dbraw/zinc/16/37/39/352163739.db2.gz SBCXYKRFLAZHRC-OYNCUSHFSA-N 1 2 183.251 0.938 20 0 ACADLO c1cn(Cc2c[nH]nn2)c(C2CC2)[nH+]1 527531505 352165641 /nfs/dbraw/zinc/16/56/41/352165641.db2.gz FWYZXKSGZXVTSV-UHFFFAOYSA-N 1 2 189.222 0.927 20 0 ACADLO Cc1cc(C[N@H+](C)CC(N)=O)ccn1 527534296 352166121 /nfs/dbraw/zinc/16/61/21/352166121.db2.gz OEGTVKCCGZTWCY-UHFFFAOYSA-N 1 2 193.250 0.307 20 0 ACADLO Cc1cc(C[N@@H+](C)CC(N)=O)ccn1 527534296 352166125 /nfs/dbraw/zinc/16/61/25/352166125.db2.gz OEGTVKCCGZTWCY-UHFFFAOYSA-N 1 2 193.250 0.307 20 0 ACADLO c1cc(C[NH2+]CC23CC(CO2)C3)[nH]n1 527789068 352169683 /nfs/dbraw/zinc/16/96/83/352169683.db2.gz NBGXCDNXAZXLRR-UHFFFAOYSA-N 1 2 193.250 0.678 20 0 ACADLO COc1ccc[nH+]c1N(C)CC(N)=O 527849385 352171828 /nfs/dbraw/zinc/17/18/28/352171828.db2.gz PMZRBTOCUOSMMJ-UHFFFAOYSA-N 1 2 195.222 0.012 20 0 ACADLO Cc1cnccc1C[N@H+](C)CC(N)=O 528352441 352177027 /nfs/dbraw/zinc/17/70/27/352177027.db2.gz RKTUQAKSZUAOOC-UHFFFAOYSA-N 1 2 193.250 0.307 20 0 ACADLO Cc1cnccc1C[N@@H+](C)CC(N)=O 528352441 352177028 /nfs/dbraw/zinc/17/70/28/352177028.db2.gz RKTUQAKSZUAOOC-UHFFFAOYSA-N 1 2 193.250 0.307 20 0 ACADLO CN(C)c1nc[nH+]c2c1CCN2 536953885 352191919 /nfs/dbraw/zinc/19/19/19/352191919.db2.gz JOOZUCIUEJEBFP-UHFFFAOYSA-N 1 2 164.212 0.511 20 0 ACADLO CN(C)c1[nH+]cnc2c1CCN2 536953885 352191920 /nfs/dbraw/zinc/19/19/20/352191920.db2.gz JOOZUCIUEJEBFP-UHFFFAOYSA-N 1 2 164.212 0.511 20 0 ACADLO CC(C)Cc1nc2n(n1)CC[NH2+]C2 536954770 352192564 /nfs/dbraw/zinc/19/25/64/352192564.db2.gz PYIVBHCSDWTFJD-UHFFFAOYSA-N 1 2 180.255 0.580 20 0 ACADLO C[N@@H+]1CCC(=O)C[C@@]12CCOC2 536960050 352194637 /nfs/dbraw/zinc/19/46/37/352194637.db2.gz MVKJZUBWBOODKK-SECBINFHSA-N 1 2 169.224 0.440 20 0 ACADLO C[N@H+]1CCC(=O)C[C@@]12CCOC2 536960050 352194641 /nfs/dbraw/zinc/19/46/41/352194641.db2.gz MVKJZUBWBOODKK-SECBINFHSA-N 1 2 169.224 0.440 20 0 ACADLO C[N@@H+]1CCC(=O)C[C@]12CCOC2 536960055 352194695 /nfs/dbraw/zinc/19/46/95/352194695.db2.gz MVKJZUBWBOODKK-VIFPVBQESA-N 1 2 169.224 0.440 20 0 ACADLO C[N@H+]1CCC(=O)C[C@]12CCOC2 536960055 352194697 /nfs/dbraw/zinc/19/46/97/352194697.db2.gz MVKJZUBWBOODKK-VIFPVBQESA-N 1 2 169.224 0.440 20 0 ACADLO Cc1[nH+]cn(Cc2nnc[nH]2)c1C 575453967 352222496 /nfs/dbraw/zinc/22/24/96/352222496.db2.gz VNOICUCZCROGDD-UHFFFAOYSA-N 1 2 177.211 0.666 20 0 ACADLO CC(C)(O)CNc1cc[nH+]cc1F 575456814 352231867 /nfs/dbraw/zinc/23/18/67/352231867.db2.gz VSEIQNRCLSTLID-UHFFFAOYSA-N 1 2 184.214 0.825 20 0 ACADLO c1nc(Cn2cc[nH+]c2)n[nH]1 575461552 352248282 /nfs/dbraw/zinc/24/82/82/352248282.db2.gz RNPZHAANPIUZHC-UHFFFAOYSA-N 1 2 149.157 0.050 20 0 ACADLO c1nnc(Cn2cc[nH+]c2)[nH]1 575461552 352248286 /nfs/dbraw/zinc/24/82/86/352248286.db2.gz RNPZHAANPIUZHC-UHFFFAOYSA-N 1 2 149.157 0.050 20 0 ACADLO CC(=O)C[N@@H+]1CCOCC12CCC2 575468199 352274346 /nfs/dbraw/zinc/27/43/46/352274346.db2.gz QLJHBWLCZNYODK-UHFFFAOYSA-N 1 2 183.251 0.830 20 0 ACADLO CC(=O)C[N@H+]1CCOCC12CCC2 575468199 352274350 /nfs/dbraw/zinc/27/43/50/352274350.db2.gz QLJHBWLCZNYODK-UHFFFAOYSA-N 1 2 183.251 0.830 20 0 ACADLO Fc1c[nH+]ccc1N[C@H]1CCOC1 575471339 352286507 /nfs/dbraw/zinc/28/65/07/352286507.db2.gz ZVPCMIVGJSVPJN-ZETCQYMHSA-N 1 2 182.198 0.843 20 0 ACADLO Fc1c[nH+]ccc1N[C@@H]1CCOC1 575471331 352286749 /nfs/dbraw/zinc/28/67/49/352286749.db2.gz ZVPCMIVGJSVPJN-SSDOTTSWSA-N 1 2 182.198 0.843 20 0 ACADLO CNC(=O)c1ccc(C)[nH+]c1NC 575494395 352378014 /nfs/dbraw/zinc/37/80/14/352378014.db2.gz WJLZNTZSCNKCDZ-UHFFFAOYSA-N 1 2 179.223 0.791 20 0 ACADLO C[C@H](C(N)=O)[N@@H+]1CCC[C@H](F)C1 575510339 352459425 /nfs/dbraw/zinc/45/94/25/352459425.db2.gz AHMSEICXDUICPY-RQJHMYQMSA-N 1 2 174.219 0.294 20 0 ACADLO C[C@H](C(N)=O)[N@H+]1CCC[C@H](F)C1 575510339 352459426 /nfs/dbraw/zinc/45/94/26/352459426.db2.gz AHMSEICXDUICPY-RQJHMYQMSA-N 1 2 174.219 0.294 20 0 ACADLO C[C@@H](C(N)=O)[N@@H+]1CCC[C@H](F)C1 575510336 352459483 /nfs/dbraw/zinc/45/94/83/352459483.db2.gz AHMSEICXDUICPY-BQBZGAKWSA-N 1 2 174.219 0.294 20 0 ACADLO C[C@@H](C(N)=O)[N@H+]1CCC[C@H](F)C1 575510336 352459487 /nfs/dbraw/zinc/45/94/87/352459487.db2.gz AHMSEICXDUICPY-BQBZGAKWSA-N 1 2 174.219 0.294 20 0 ACADLO C[C@H](C(N)=O)[N@@H+]1CCC[C@@H](F)C1 575510338 352459578 /nfs/dbraw/zinc/45/95/78/352459578.db2.gz AHMSEICXDUICPY-RNFRBKRXSA-N 1 2 174.219 0.294 20 0 ACADLO C[C@H](C(N)=O)[N@H+]1CCC[C@@H](F)C1 575510338 352459583 /nfs/dbraw/zinc/45/95/83/352459583.db2.gz AHMSEICXDUICPY-RNFRBKRXSA-N 1 2 174.219 0.294 20 0 ACADLO C[C@@H](C(N)=O)[N@@H+]1CCC[C@@H](F)C1 575510337 352459642 /nfs/dbraw/zinc/45/96/42/352459642.db2.gz AHMSEICXDUICPY-NKWVEPMBSA-N 1 2 174.219 0.294 20 0 ACADLO C[C@@H](C(N)=O)[N@H+]1CCC[C@@H](F)C1 575510337 352459644 /nfs/dbraw/zinc/45/96/44/352459644.db2.gz AHMSEICXDUICPY-NKWVEPMBSA-N 1 2 174.219 0.294 20 0 ACADLO CC(=O)NCc1[nH]cc(C)[nH+]1 575513830 352480630 /nfs/dbraw/zinc/48/06/30/352480630.db2.gz MNEYZICNPFWKDI-UHFFFAOYSA-N 1 2 153.185 0.354 20 0 ACADLO Nc1cc(N2CC[C@H](F)C2)[nH+]cn1 575518306 352501381 /nfs/dbraw/zinc/50/13/81/352501381.db2.gz UKIGATJITOZULC-LURJTMIESA-N 1 2 182.202 0.607 20 0 ACADLO OCCNc1cc[nH+]cc1F 575520696 352513757 /nfs/dbraw/zinc/51/37/57/352513757.db2.gz RUXXQUHRBQZXMA-UHFFFAOYSA-N 1 2 156.160 0.047 20 0 ACADLO Cc1nsc(N[C@H]2CC[NH2+][C@@H]2C)n1 575550670 352638971 /nfs/dbraw/zinc/63/89/71/352638971.db2.gz VGZRMMSYQADIQN-VDTYLAMSSA-N 1 2 198.295 0.431 20 0 ACADLO Cc1[nH+]ccn1Cc1nnc[nH]1 575562430 352686543 /nfs/dbraw/zinc/68/65/43/352686543.db2.gz UIJMYYLYCLAZME-UHFFFAOYSA-N 1 2 163.184 0.358 20 0 ACADLO CC(C)c1nnc(C[N@H+](C)CCO)o1 590293221 352912435 /nfs/dbraw/zinc/91/24/35/352912435.db2.gz PKXMHQVGQOFXNC-UHFFFAOYSA-N 1 2 199.254 0.617 20 0 ACADLO CC(C)c1nnc(C[N@@H+](C)CCO)o1 590293221 352912443 /nfs/dbraw/zinc/91/24/43/352912443.db2.gz PKXMHQVGQOFXNC-UHFFFAOYSA-N 1 2 199.254 0.617 20 0 ACADLO CCCC[NH2+][C@@](C)(CO)C(=O)OC 595525758 352920320 /nfs/dbraw/zinc/92/03/20/352920320.db2.gz CWRDICDDJDMEOJ-VIFPVBQESA-N 1 2 189.255 0.300 20 0 ACADLO CCCC[NH2+][C@](C)(CO)C(=O)OC 595525754 352920432 /nfs/dbraw/zinc/92/04/32/352920432.db2.gz CWRDICDDJDMEOJ-SECBINFHSA-N 1 2 189.255 0.300 20 0 ACADLO C1C[NH+](CCOCC2CC2)CCO1 607725104 352926796 /nfs/dbraw/zinc/92/67/96/352926796.db2.gz UGRFNHUIHJKXGE-UHFFFAOYSA-N 1 2 185.267 0.745 20 0 ACADLO COC(=O)C[N@H+](C)Cc1ccn(C)c1 611255202 352928796 /nfs/dbraw/zinc/92/87/96/352928796.db2.gz XZCYKYMOVLXOON-UHFFFAOYSA-N 1 2 196.250 0.630 20 0 ACADLO COC(=O)C[N@@H+](C)Cc1ccn(C)c1 611255202 352928799 /nfs/dbraw/zinc/92/87/99/352928799.db2.gz XZCYKYMOVLXOON-UHFFFAOYSA-N 1 2 196.250 0.630 20 0 ACADLO Cc1noc([C@@H](C)[N@@H+](C)C[C@H](C)O)n1 643410783 352950783 /nfs/dbraw/zinc/95/07/83/352950783.db2.gz LVOSDSWWGOLFMG-NKWVEPMBSA-N 1 2 199.254 0.752 20 0 ACADLO Cc1noc([C@@H](C)[N@H+](C)C[C@H](C)O)n1 643410783 352950786 /nfs/dbraw/zinc/95/07/86/352950786.db2.gz LVOSDSWWGOLFMG-NKWVEPMBSA-N 1 2 199.254 0.752 20 0 ACADLO c1nc(-n2cc[nH+]c2)c2c[nH]nc2n1 643405460 352950898 /nfs/dbraw/zinc/95/08/98/352950898.db2.gz KLIIZPYGUWLGDG-UHFFFAOYSA-N 1 2 186.178 0.539 20 0 ACADLO Cc1noc([C@@H](C)[N@@H+](C)C[C@@H](C)O)n1 643412573 352950917 /nfs/dbraw/zinc/95/09/17/352950917.db2.gz LVOSDSWWGOLFMG-RNFRBKRXSA-N 1 2 199.254 0.752 20 0 ACADLO Cc1noc([C@@H](C)[N@H+](C)C[C@@H](C)O)n1 643412573 352950918 /nfs/dbraw/zinc/95/09/18/352950918.db2.gz LVOSDSWWGOLFMG-RNFRBKRXSA-N 1 2 199.254 0.752 20 0 ACADLO Cc1nc([C@H](C)[N@@H+](C)C[C@@H](C)O)no1 643414279 352950954 /nfs/dbraw/zinc/95/09/54/352950954.db2.gz RNZPFIMNOFIFRC-RQJHMYQMSA-N 1 2 199.254 0.752 20 0 ACADLO Cc1nc([C@H](C)[N@H+](C)C[C@@H](C)O)no1 643414279 352950955 /nfs/dbraw/zinc/95/09/55/352950955.db2.gz RNZPFIMNOFIFRC-RQJHMYQMSA-N 1 2 199.254 0.752 20 0 ACADLO Cc1cnc(C[N@@H+](C)C[C@@H](C)O)nc1 643412605 352951001 /nfs/dbraw/zinc/95/10/01/352951001.db2.gz UQNYKVRAVZLCNW-SECBINFHSA-N 1 2 195.266 0.598 20 0 ACADLO Cc1cnc(C[N@H+](C)C[C@@H](C)O)nc1 643412605 352951003 /nfs/dbraw/zinc/95/10/03/352951003.db2.gz UQNYKVRAVZLCNW-SECBINFHSA-N 1 2 195.266 0.598 20 0 ACADLO Cc1nc([C@@H](C)[N@@H+](C)C[C@@H](C)O)no1 643414278 352951014 /nfs/dbraw/zinc/95/10/14/352951014.db2.gz RNZPFIMNOFIFRC-RNFRBKRXSA-N 1 2 199.254 0.752 20 0 ACADLO Cc1nc([C@@H](C)[N@H+](C)C[C@@H](C)O)no1 643414278 352951016 /nfs/dbraw/zinc/95/10/16/352951016.db2.gz RNZPFIMNOFIFRC-RNFRBKRXSA-N 1 2 199.254 0.752 20 0 ACADLO Cc1noc([C@H](C)[N@@H+](C)C[C@H](C)O)n1 643410782 352951053 /nfs/dbraw/zinc/95/10/53/352951053.db2.gz LVOSDSWWGOLFMG-BQBZGAKWSA-N 1 2 199.254 0.752 20 0 ACADLO Cc1noc([C@H](C)[N@H+](C)C[C@H](C)O)n1 643410782 352951056 /nfs/dbraw/zinc/95/10/56/352951056.db2.gz LVOSDSWWGOLFMG-BQBZGAKWSA-N 1 2 199.254 0.752 20 0 ACADLO CCc1nnc(C[N@H+](C)C[C@@H](C)O)[nH]1 643412370 352951105 /nfs/dbraw/zinc/95/11/05/352951105.db2.gz HAEVFBJTUFSHGT-SSDOTTSWSA-N 1 2 198.270 0.180 20 0 ACADLO CCc1nnc(C[N@@H+](C)C[C@@H](C)O)[nH]1 643412370 352951106 /nfs/dbraw/zinc/95/11/06/352951106.db2.gz HAEVFBJTUFSHGT-SSDOTTSWSA-N 1 2 198.270 0.180 20 0 ACADLO CC(C)(O)Cn1cc[nH+]c1 32226637 371630814 /nfs/dbraw/zinc/63/08/14/371630814.db2.gz RGXUWXXIJFUAHU-UHFFFAOYSA-N 1 2 140.186 0.654 20 0 ACADLO COCCNc1cc(CO)cc[nH+]1 166288262 371681724 /nfs/dbraw/zinc/68/17/24/371681724.db2.gz JEHRROXNKWNNHV-UHFFFAOYSA-N 1 2 182.223 0.632 20 0 ACADLO COC[C@H](C)N1CC[NH+](C)CC1 196959219 371696442 /nfs/dbraw/zinc/69/64/42/371696442.db2.gz MJZJKTRLTQWTEX-VIFPVBQESA-N 1 2 172.272 0.269 20 0 ACADLO COC[C@@H](C)N1CC[NH+](C)CC1 196959230 371696456 /nfs/dbraw/zinc/69/64/56/371696456.db2.gz MJZJKTRLTQWTEX-SECBINFHSA-N 1 2 172.272 0.269 20 0 ACADLO CCC[NH+]1CCS(=O)CC1 202105631 371703274 /nfs/dbraw/zinc/70/32/74/371703274.db2.gz LXNWLIMNHPXYQN-UHFFFAOYSA-N 1 2 161.270 0.461 20 0 ACADLO Cc1nnc(C[N@@H+]2CCC[C@@H]2CO)[nH]1 306449271 371754254 /nfs/dbraw/zinc/75/42/54/371754254.db2.gz AIPKIWPHFXACSF-MRVPVSSYSA-N 1 2 196.254 0.070 20 0 ACADLO Cc1nnc(C[N@H+]2CCC[C@@H]2CO)[nH]1 306449271 371754258 /nfs/dbraw/zinc/75/42/58/371754258.db2.gz AIPKIWPHFXACSF-MRVPVSSYSA-N 1 2 196.254 0.070 20 0 ACADLO Cc1nnc(C[N@@H+]2C[C@H](C)[C@@H]2C)n1C 335932064 371804444 /nfs/dbraw/zinc/80/44/44/371804444.db2.gz YLHDIFFRLLBMSK-YUMQZZPRSA-N 1 2 194.282 0.964 20 0 ACADLO CN(C)C(=O)CN(C)c1cccc[nH+]1 335931849 371804267 /nfs/dbraw/zinc/80/42/67/371804267.db2.gz VNXFBEVHYGOEGN-UHFFFAOYSA-N 1 2 193.250 0.606 20 0 ACADLO Cc1nnc(C[N@H+]2C[C@H](C)[C@H]2C)n1C 335932062 371804292 /nfs/dbraw/zinc/80/42/92/371804292.db2.gz YLHDIFFRLLBMSK-JGVFFNPUSA-N 1 2 194.282 0.964 20 0 ACADLO Cc1nnc(C[N@@H+]2C[C@H](C)[C@H]2C)n1C 335932062 371804294 /nfs/dbraw/zinc/80/42/94/371804294.db2.gz YLHDIFFRLLBMSK-JGVFFNPUSA-N 1 2 194.282 0.964 20 0 ACADLO Cc1nnc(C[N@H+]2C[C@@H](C)[C@H]2C)n1C 335932061 371804322 /nfs/dbraw/zinc/80/43/22/371804322.db2.gz YLHDIFFRLLBMSK-HTQZYQBOSA-N 1 2 194.282 0.964 20 0 ACADLO Cc1nnc(C[N@@H+]2C[C@@H](C)[C@H]2C)n1C 335932061 371804325 /nfs/dbraw/zinc/80/43/25/371804325.db2.gz YLHDIFFRLLBMSK-HTQZYQBOSA-N 1 2 194.282 0.964 20 0 ACADLO Cc1nnc(C[N@H+]2C[C@H](C)[C@@H]2C)n1C 335932064 371804441 /nfs/dbraw/zinc/80/44/41/371804441.db2.gz YLHDIFFRLLBMSK-YUMQZZPRSA-N 1 2 194.282 0.964 20 0 ACADLO Cc1nnc(C[N@H+]2C[C@@H](C)[C@@H]2C)n1C 335932063 371804508 /nfs/dbraw/zinc/80/45/08/371804508.db2.gz YLHDIFFRLLBMSK-SFYZADRCSA-N 1 2 194.282 0.964 20 0 ACADLO Cc1nnc(C[N@@H+]2C[C@@H](C)[C@@H]2C)n1C 335932063 371804511 /nfs/dbraw/zinc/80/45/11/371804511.db2.gz YLHDIFFRLLBMSK-SFYZADRCSA-N 1 2 194.282 0.964 20 0 ACADLO Cn1c[nH+]c(CSCCC(N)=O)c1 603363299 371862606 /nfs/dbraw/zinc/86/26/06/371862606.db2.gz VRVDOPQLXAZRDH-UHFFFAOYSA-N 1 2 199.279 0.529 20 0 ACADLO CC(C)[C@H](O)C(=O)NCc1[nH]cc[nH+]1 643982965 371871763 /nfs/dbraw/zinc/87/17/63/371871763.db2.gz JWETVCSWYCSSGQ-QMMMGPOBSA-N 1 2 197.238 0.043 20 0 ACADLO CC(C)[C@H](O)C(=O)NCc1c[nH+]c[nH]1 643992256 371873779 /nfs/dbraw/zinc/87/37/79/371873779.db2.gz FLQPLRXNGIJICC-QMMMGPOBSA-N 1 2 197.238 0.043 20 0 ACADLO CC(C)[C@H](O)C(=O)NCc1c[nH]c[nH+]1 643992256 371873783 /nfs/dbraw/zinc/87/37/83/371873783.db2.gz FLQPLRXNGIJICC-QMMMGPOBSA-N 1 2 197.238 0.043 20 0 ACADLO OC[C@@H]1[C@H]2CN(c3cccc[nH+]3)C[C@H]21 644134894 371874863 /nfs/dbraw/zinc/87/48/63/371874863.db2.gz VGTMWZXQGYVEHO-MYJAWHEDSA-N 1 2 190.246 0.756 20 0 ACADLO CCN(c1cc[nH+]c(C)n1)[C@H](C)CO 644131378 371875227 /nfs/dbraw/zinc/87/52/27/371875227.db2.gz RBRBUSUQPBCAEE-MRVPVSSYSA-N 1 2 195.266 0.992 20 0 ACADLO Cc1cc(N2CCO[C@H]3C[C@H]32)nc[nH+]1 644135488 371875200 /nfs/dbraw/zinc/87/52/00/371875200.db2.gz IGMRYNAAOYAOIP-BDAKNGLRSA-N 1 2 191.234 0.763 20 0 ACADLO Cc1cc(N2CCO[C@@H]3C[C@@H]32)nc[nH+]1 644135489 371875292 /nfs/dbraw/zinc/87/52/92/371875292.db2.gz IGMRYNAAOYAOIP-DTWKUNHWSA-N 1 2 191.234 0.763 20 0 ACADLO CCN(c1cc(C)[nH+]cn1)[C@H](C)CO 644131339 371875310 /nfs/dbraw/zinc/87/53/10/371875310.db2.gz KJALKLDWMFUMJM-SECBINFHSA-N 1 2 195.266 0.992 20 0 ACADLO CCCN(CC(N)=O)c1cccc[nH+]1 644155347 371876681 /nfs/dbraw/zinc/87/66/81/371876681.db2.gz XLBIOIYJVANCDX-UHFFFAOYSA-N 1 2 193.250 0.783 20 0 ACADLO Cc1[nH+]c[nH]c1CC(=O)N[C@@H](C)CF 644361157 371882776 /nfs/dbraw/zinc/88/27/76/371882776.db2.gz LFMQHLKENUOYOR-LURJTMIESA-N 1 2 199.229 0.735 20 0 ACADLO Cc1[nH]c[nH+]c1CC(=O)N[C@@H](C)CF 644361157 371882785 /nfs/dbraw/zinc/88/27/85/371882785.db2.gz LFMQHLKENUOYOR-LURJTMIESA-N 1 2 199.229 0.735 20 0 ACADLO Cc1[nH+]c[nH]c1CC(=O)N[C@H](C)CF 644361158 371882925 /nfs/dbraw/zinc/88/29/25/371882925.db2.gz LFMQHLKENUOYOR-ZCFIWIBFSA-N 1 2 199.229 0.735 20 0 ACADLO Cc1[nH]c[nH+]c1CC(=O)N[C@H](C)CF 644361158 371882932 /nfs/dbraw/zinc/88/29/32/371882932.db2.gz LFMQHLKENUOYOR-ZCFIWIBFSA-N 1 2 199.229 0.735 20 0 ACADLO CC(F)(F)C[NH2+]CCC(N)=O 644654000 371893474 /nfs/dbraw/zinc/89/34/74/371893474.db2.gz BOVKTRMDFHBXOX-UHFFFAOYSA-N 1 2 166.171 0.107 20 0 ACADLO CC[N@H+](CCOC)Cc1nnc(C)[nH]1 644658423 371894906 /nfs/dbraw/zinc/89/49/06/371894906.db2.gz YIZRIOIFWZYVMY-UHFFFAOYSA-N 1 2 198.270 0.581 20 0 ACADLO CC[N@@H+](CCOC)Cc1nnc(C)[nH]1 644658423 371894915 /nfs/dbraw/zinc/89/49/15/371894915.db2.gz YIZRIOIFWZYVMY-UHFFFAOYSA-N 1 2 198.270 0.581 20 0 ACADLO CC(C)c1nnc(C[N@H+](C)CCO)[nH]1 644656792 371895191 /nfs/dbraw/zinc/89/51/91/371895191.db2.gz CVQRAASXHBSILK-UHFFFAOYSA-N 1 2 198.270 0.352 20 0 ACADLO CC(C)c1nnc(C[N@@H+](C)CCO)[nH]1 644656792 371895200 /nfs/dbraw/zinc/89/52/00/371895200.db2.gz CVQRAASXHBSILK-UHFFFAOYSA-N 1 2 198.270 0.352 20 0 ACADLO Cc1nnc(C[N@@H+]2CCCOCC2)[nH]1 644661609 371896428 /nfs/dbraw/zinc/89/64/28/371896428.db2.gz MOCAYUJMYRSDHF-UHFFFAOYSA-N 1 2 196.254 0.335 20 0 ACADLO Cc1nnc(C[N@H+]2CCCOCC2)[nH]1 644661609 371896432 /nfs/dbraw/zinc/89/64/32/371896432.db2.gz MOCAYUJMYRSDHF-UHFFFAOYSA-N 1 2 196.254 0.335 20 0 ACADLO CO[C@H]1CC[N@H+](Cc2nnc(C)[nH]2)C1 644671887 371897816 /nfs/dbraw/zinc/89/78/16/371897816.db2.gz RNOGDBDWFACMDX-QMMMGPOBSA-N 1 2 196.254 0.334 20 0 ACADLO CO[C@H]1CC[N@@H+](Cc2nnc(C)[nH]2)C1 644671887 371897820 /nfs/dbraw/zinc/89/78/20/371897820.db2.gz RNOGDBDWFACMDX-QMMMGPOBSA-N 1 2 196.254 0.334 20 0 ACADLO Cc1nnc(C[N@@H+](C)C2CC(O)C2)[nH]1 644684129 371899651 /nfs/dbraw/zinc/89/96/51/371899651.db2.gz SEYGXVFLRVKJPD-UHFFFAOYSA-N 1 2 196.254 0.068 20 0 ACADLO Cc1nnc(C[N@H+](C)C2CC(O)C2)[nH]1 644684129 371899655 /nfs/dbraw/zinc/89/96/55/371899655.db2.gz SEYGXVFLRVKJPD-UHFFFAOYSA-N 1 2 196.254 0.068 20 0 ACADLO Cc1nnc(C[N@@H+](C)C2(CO)CC2)[nH]1 644692450 371899769 /nfs/dbraw/zinc/89/97/69/371899769.db2.gz NNGZNHGEQJLCMM-UHFFFAOYSA-N 1 2 196.254 0.070 20 0 ACADLO Cc1nnc(C[N@H+](C)C2(CO)CC2)[nH]1 644692450 371899775 /nfs/dbraw/zinc/89/97/75/371899775.db2.gz NNGZNHGEQJLCMM-UHFFFAOYSA-N 1 2 196.254 0.070 20 0 ACADLO CC[N@H+](Cc1nc(C)no1)[C@H](C)CO 644705909 371900710 /nfs/dbraw/zinc/90/07/10/371900710.db2.gz HYFLPSPWTKARLS-SSDOTTSWSA-N 1 2 199.254 0.581 20 0 ACADLO CC[N@@H+](Cc1nc(C)no1)[C@H](C)CO 644705909 371900714 /nfs/dbraw/zinc/90/07/14/371900714.db2.gz HYFLPSPWTKARLS-SSDOTTSWSA-N 1 2 199.254 0.581 20 0 ACADLO CC[N@H+](Cc1nnc(C)[nH]1)[C@H](C)CO 644706747 371900806 /nfs/dbraw/zinc/90/08/06/371900806.db2.gz AKDUFQVTCZJILZ-SSDOTTSWSA-N 1 2 198.270 0.316 20 0 ACADLO CC[N@@H+](Cc1nnc(C)[nH]1)[C@H](C)CO 644706747 371900810 /nfs/dbraw/zinc/90/08/10/371900810.db2.gz AKDUFQVTCZJILZ-SSDOTTSWSA-N 1 2 198.270 0.316 20 0 ACADLO CC[N@H+](Cc1noc(C)n1)[C@H](C)CO 644705986 371900849 /nfs/dbraw/zinc/90/08/49/371900849.db2.gz HJSMYVZTQCMSCU-SSDOTTSWSA-N 1 2 199.254 0.581 20 0 ACADLO CC[N@@H+](Cc1noc(C)n1)[C@H](C)CO 644705986 371900853 /nfs/dbraw/zinc/90/08/53/371900853.db2.gz HJSMYVZTQCMSCU-SSDOTTSWSA-N 1 2 199.254 0.581 20 0 ACADLO CC[N@H+](Cc1nnc(C)o1)[C@H](C)CO 644705953 371900873 /nfs/dbraw/zinc/90/08/73/371900873.db2.gz XCXXZFGFEJETGI-SSDOTTSWSA-N 1 2 199.254 0.581 20 0 ACADLO CC[N@@H+](Cc1nnc(C)o1)[C@H](C)CO 644705953 371900879 /nfs/dbraw/zinc/90/08/79/371900879.db2.gz XCXXZFGFEJETGI-SSDOTTSWSA-N 1 2 199.254 0.581 20 0 ACADLO CC[N@H+](Cc1nncn1C)[C@H](C)CO 644706007 371901000 /nfs/dbraw/zinc/90/10/00/371901000.db2.gz KLXOHYBCUCAGMQ-MRVPVSSYSA-N 1 2 198.270 0.018 20 0 ACADLO CC[N@@H+](Cc1nncn1C)[C@H](C)CO 644706007 371901005 /nfs/dbraw/zinc/90/10/05/371901005.db2.gz KLXOHYBCUCAGMQ-MRVPVSSYSA-N 1 2 198.270 0.018 20 0 ACADLO CC[N@H+](Cc1ncnn1C)[C@H](C)CO 644706162 371901582 /nfs/dbraw/zinc/90/15/82/371901582.db2.gz UCSSDJKOMZNEPX-MRVPVSSYSA-N 1 2 198.270 0.018 20 0 ACADLO CC[N@@H+](Cc1ncnn1C)[C@H](C)CO 644706162 371901587 /nfs/dbraw/zinc/90/15/87/371901587.db2.gz UCSSDJKOMZNEPX-MRVPVSSYSA-N 1 2 198.270 0.018 20 0 ACADLO CNC(=O)C[N@H+](C)Cc1occc1C 644780847 371906550 /nfs/dbraw/zinc/90/65/50/371906550.db2.gz AAGXZWWVODBFEL-UHFFFAOYSA-N 1 2 196.250 0.766 20 0 ACADLO CNC(=O)C[N@@H+](C)Cc1occc1C 644780847 371906557 /nfs/dbraw/zinc/90/65/57/371906557.db2.gz AAGXZWWVODBFEL-UHFFFAOYSA-N 1 2 196.250 0.766 20 0 ACADLO CCC[N@@H+](CC(N)=O)Cc1ccno1 644785343 371908633 /nfs/dbraw/zinc/90/86/33/371908633.db2.gz SLQVRIYSXIININ-UHFFFAOYSA-N 1 2 197.238 0.372 20 0 ACADLO CC(C)n1cnnc1C[N@H+](C)CCO 644786175 371908557 /nfs/dbraw/zinc/90/85/57/371908557.db2.gz NJCMLIXWRXRTNF-UHFFFAOYSA-N 1 2 198.270 0.283 20 0 ACADLO CC(C)n1cnnc1C[N@@H+](C)CCO 644786175 371908559 /nfs/dbraw/zinc/90/85/59/371908559.db2.gz NJCMLIXWRXRTNF-UHFFFAOYSA-N 1 2 198.270 0.283 20 0 ACADLO CCC[N@H+](CC(N)=O)Cc1ccno1 644785343 371908632 /nfs/dbraw/zinc/90/86/32/371908632.db2.gz SLQVRIYSXIININ-UHFFFAOYSA-N 1 2 197.238 0.372 20 0 ACADLO CC[N@H+](Cc1cn[nH]c1C)[C@H](C)CO 644835229 371918337 /nfs/dbraw/zinc/91/83/37/371918337.db2.gz BXMGEHDHXFDAFO-MRVPVSSYSA-N 1 2 197.282 0.921 20 0 ACADLO CC[N@@H+](Cc1cn[nH]c1C)[C@H](C)CO 644835229 371918344 /nfs/dbraw/zinc/91/83/44/371918344.db2.gz BXMGEHDHXFDAFO-MRVPVSSYSA-N 1 2 197.282 0.921 20 0 ACADLO Cc1[nH]c(C(=O)N[C@@H]2CCOC2)c[nH+]1 644835599 371920307 /nfs/dbraw/zinc/92/03/07/371920307.db2.gz WUJNQPQWUNSAMK-SSDOTTSWSA-N 1 2 195.222 0.237 20 0 ACADLO CCC[N@H+](CC(N)=O)Cc1cc[nH]n1 644842948 371921243 /nfs/dbraw/zinc/92/12/43/371921243.db2.gz NGFSERDCNIEPDU-UHFFFAOYSA-N 1 2 196.254 0.107 20 0 ACADLO CCC[N@@H+](CC(N)=O)Cc1cc[nH]n1 644842948 371921247 /nfs/dbraw/zinc/92/12/47/371921247.db2.gz NGFSERDCNIEPDU-UHFFFAOYSA-N 1 2 196.254 0.107 20 0 ACADLO CCC[N@H+](CC(N)=O)Cc1cn[nH]c1 644843164 371921525 /nfs/dbraw/zinc/92/15/25/371921525.db2.gz SOKZCRXCFCNBNM-UHFFFAOYSA-N 1 2 196.254 0.107 20 0 ACADLO CCC[N@@H+](CC(N)=O)Cc1cn[nH]c1 644843164 371921530 /nfs/dbraw/zinc/92/15/30/371921530.db2.gz SOKZCRXCFCNBNM-UHFFFAOYSA-N 1 2 196.254 0.107 20 0 ACADLO CCN(C)C(=O)COc1cc[nH+]cc1 644869678 371923812 /nfs/dbraw/zinc/92/38/12/371923812.db2.gz IETZLAMNKHNNQG-UHFFFAOYSA-N 1 2 194.234 0.939 20 0 ACADLO Cn1nncc1COc1cc[nH+]cc1 644869569 371923837 /nfs/dbraw/zinc/92/38/37/371923837.db2.gz JPCCWNUQSATBAO-UHFFFAOYSA-N 1 2 190.206 0.789 20 0 ACADLO CC[N@H+](Cc1nnc(C)o1)[C@@H](C)CO 645232079 371955865 /nfs/dbraw/zinc/95/58/65/371955865.db2.gz XCXXZFGFEJETGI-ZETCQYMHSA-N 1 2 199.254 0.581 20 0 ACADLO Cn1nnc(COc2cc[nH+]cc2)n1 644869840 371923906 /nfs/dbraw/zinc/92/39/06/371923906.db2.gz MOKPAKPKIZOMFI-UHFFFAOYSA-N 1 2 191.194 0.184 20 0 ACADLO CCCNC(=O)COc1cc[nH+]cc1 644869895 371925783 /nfs/dbraw/zinc/92/57/83/371925783.db2.gz VVJWBZYUDSEEGU-UHFFFAOYSA-N 1 2 194.234 0.987 20 0 ACADLO C[C@@H](O)CC[N@@H+]1CCc2cn[nH]c2C1 644927905 371930822 /nfs/dbraw/zinc/93/08/22/371930822.db2.gz NBDAEUBGIGEYOR-MRVPVSSYSA-N 1 2 195.266 0.539 20 0 ACADLO C[C@H](O)CC[N@@H+]1CCc2cn[nH]c2C1 644927910 371930670 /nfs/dbraw/zinc/93/06/70/371930670.db2.gz NBDAEUBGIGEYOR-QMMMGPOBSA-N 1 2 195.266 0.539 20 0 ACADLO C[C@H](O)CC[N@H+]1CCc2cn[nH]c2C1 644927910 371930673 /nfs/dbraw/zinc/93/06/73/371930673.db2.gz NBDAEUBGIGEYOR-QMMMGPOBSA-N 1 2 195.266 0.539 20 0 ACADLO C[C@@H](O)CC[N@H+]1CCc2cn[nH]c2C1 644927905 371930825 /nfs/dbraw/zinc/93/08/25/371930825.db2.gz NBDAEUBGIGEYOR-MRVPVSSYSA-N 1 2 195.266 0.539 20 0 ACADLO CC(C)[C@H](O)C[N@H+](C)Cc1nnc[nH]1 644996491 371937587 /nfs/dbraw/zinc/93/75/87/371937587.db2.gz IEOGTJXWWQTKIH-MRVPVSSYSA-N 1 2 198.270 0.253 20 0 ACADLO CC(C)[C@H](O)C[N@@H+](C)Cc1nnc[nH]1 644996491 371937590 /nfs/dbraw/zinc/93/75/90/371937590.db2.gz IEOGTJXWWQTKIH-MRVPVSSYSA-N 1 2 198.270 0.253 20 0 ACADLO CC(C)[C@@H](O)C[N@H+](C)Cc1nnc[nH]1 644996492 371937651 /nfs/dbraw/zinc/93/76/51/371937651.db2.gz IEOGTJXWWQTKIH-QMMMGPOBSA-N 1 2 198.270 0.253 20 0 ACADLO CC(C)[C@@H](O)C[N@@H+](C)Cc1nnc[nH]1 644996492 371937653 /nfs/dbraw/zinc/93/76/53/371937653.db2.gz IEOGTJXWWQTKIH-QMMMGPOBSA-N 1 2 198.270 0.253 20 0 ACADLO CCN(c1cc(C)[nH+]cn1)[C@@H](C)CO 645056333 371939780 /nfs/dbraw/zinc/93/97/80/371939780.db2.gz KJALKLDWMFUMJM-VIFPVBQESA-N 1 2 195.266 0.992 20 0 ACADLO CCN(c1cc[nH+]c(C)n1)[C@@H](C)CO 645056399 371939926 /nfs/dbraw/zinc/93/99/26/371939926.db2.gz RBRBUSUQPBCAEE-QMMMGPOBSA-N 1 2 195.266 0.992 20 0 ACADLO CC[N@H+](Cc1ncnn1C)[C@@H](C)CO 645231782 371955288 /nfs/dbraw/zinc/95/52/88/371955288.db2.gz UCSSDJKOMZNEPX-QMMMGPOBSA-N 1 2 198.270 0.018 20 0 ACADLO CC[N@@H+](Cc1ncnn1C)[C@@H](C)CO 645231782 371955294 /nfs/dbraw/zinc/95/52/94/371955294.db2.gz UCSSDJKOMZNEPX-QMMMGPOBSA-N 1 2 198.270 0.018 20 0 ACADLO CCc1nocc1C[N@@H+](C)CC(N)=O 645227022 371955637 /nfs/dbraw/zinc/95/56/37/371955637.db2.gz IDZCEYVSPVGIOE-UHFFFAOYSA-N 1 2 197.238 0.154 20 0 ACADLO CCc1nocc1C[N@H+](C)CC(N)=O 645227022 371955628 /nfs/dbraw/zinc/95/56/28/371955628.db2.gz IDZCEYVSPVGIOE-UHFFFAOYSA-N 1 2 197.238 0.154 20 0 ACADLO CC[N@H+](Cc1nc(C)no1)[C@@H](C)CO 645232233 371955675 /nfs/dbraw/zinc/95/56/75/371955675.db2.gz HYFLPSPWTKARLS-ZETCQYMHSA-N 1 2 199.254 0.581 20 0 ACADLO CC[N@@H+](Cc1nc(C)no1)[C@@H](C)CO 645232233 371955681 /nfs/dbraw/zinc/95/56/81/371955681.db2.gz HYFLPSPWTKARLS-ZETCQYMHSA-N 1 2 199.254 0.581 20 0 ACADLO CC[N@@H+](Cc1nnc(C)o1)[C@@H](C)CO 645232079 371955870 /nfs/dbraw/zinc/95/58/70/371955870.db2.gz XCXXZFGFEJETGI-ZETCQYMHSA-N 1 2 199.254 0.581 20 0 ACADLO CC[N@H+](Cc1noc(C)n1)[C@@H](C)CO 645232232 371956271 /nfs/dbraw/zinc/95/62/71/371956271.db2.gz HJSMYVZTQCMSCU-ZETCQYMHSA-N 1 2 199.254 0.581 20 0 ACADLO CC[N@@H+](Cc1noc(C)n1)[C@@H](C)CO 645232232 371956275 /nfs/dbraw/zinc/95/62/75/371956275.db2.gz HJSMYVZTQCMSCU-ZETCQYMHSA-N 1 2 199.254 0.581 20 0 ACADLO CC[N@H+](Cc1nncn1C)[C@@H](C)CO 645231776 371956352 /nfs/dbraw/zinc/95/63/52/371956352.db2.gz KLXOHYBCUCAGMQ-QMMMGPOBSA-N 1 2 198.270 0.018 20 0 ACADLO CC[N@@H+](Cc1nncn1C)[C@@H](C)CO 645231776 371956357 /nfs/dbraw/zinc/95/63/57/371956357.db2.gz KLXOHYBCUCAGMQ-QMMMGPOBSA-N 1 2 198.270 0.018 20 0 ACADLO CC[N@H+](Cc1nnc(C)[nH]1)[C@@H](C)CO 645231313 371956448 /nfs/dbraw/zinc/95/64/48/371956448.db2.gz AKDUFQVTCZJILZ-ZETCQYMHSA-N 1 2 198.270 0.316 20 0 ACADLO CC[N@@H+](Cc1nnc(C)[nH]1)[C@@H](C)CO 645231313 371956456 /nfs/dbraw/zinc/95/64/56/371956456.db2.gz AKDUFQVTCZJILZ-ZETCQYMHSA-N 1 2 198.270 0.316 20 0 ACADLO CO[C@@H]1COC[C@H]1Nc1cccc[nH+]1 645349288 371960154 /nfs/dbraw/zinc/96/01/54/371960154.db2.gz PAUAUIOZNOYSMQ-RKDXNWHRSA-N 1 2 194.234 0.907 20 0 ACADLO O=C1C[N@H+](CC2=CCCC2)CCN1 645767606 371964030 /nfs/dbraw/zinc/96/40/30/371964030.db2.gz MWRYZQQIKODGIC-UHFFFAOYSA-N 1 2 180.251 0.529 20 0 ACADLO O=C1C[N@@H+](CC2=CCCC2)CCN1 645767606 371964036 /nfs/dbraw/zinc/96/40/36/371964036.db2.gz MWRYZQQIKODGIC-UHFFFAOYSA-N 1 2 180.251 0.529 20 0 ACADLO CNC(=O)Cc1cn2ccccc2[nH+]1 70187189 375322761 /nfs/dbraw/zinc/32/27/61/375322761.db2.gz XJSUKZXTCXAOFP-UHFFFAOYSA-N 1 2 189.218 0.623 20 0 ACADLO C[C@@H](O)CN(C)c1cccc[nH+]1 51820992 375302022 /nfs/dbraw/zinc/30/20/22/375302022.db2.gz OBEQVKJICIIYHV-MRVPVSSYSA-N 1 2 166.224 0.899 20 0 ACADLO C[C@H](O)CN(C)c1cccc[nH+]1 51820991 375302230 /nfs/dbraw/zinc/30/22/30/375302230.db2.gz OBEQVKJICIIYHV-QMMMGPOBSA-N 1 2 166.224 0.899 20 0 ACADLO C[C@H](C(N)=O)[NH+]1Cc2ccccc2C1 61679496 375306938 /nfs/dbraw/zinc/30/69/38/375306938.db2.gz ONLPMDXRFIRCCP-MRVPVSSYSA-N 1 2 190.246 0.876 20 0 ACADLO Cc1cc(C[N@@H+]2CC[C@H](O)C2)no1 61708816 375307331 /nfs/dbraw/zinc/30/73/31/375307331.db2.gz HLNYVVVUCCKSML-VIFPVBQESA-N 1 2 182.223 0.550 20 0 ACADLO Cc1cc(C[N@H+]2CC[C@H](O)C2)no1 61708816 375307334 /nfs/dbraw/zinc/30/73/34/375307334.db2.gz HLNYVVVUCCKSML-VIFPVBQESA-N 1 2 182.223 0.550 20 0 ACADLO O[C@@H]1CC[N@H+](Cc2cscn2)C1 61707840 375307417 /nfs/dbraw/zinc/30/74/17/375307417.db2.gz MEGVKUCHSMUQQV-MRVPVSSYSA-N 1 2 184.264 0.710 20 0 ACADLO O[C@@H]1CC[N@@H+](Cc2cscn2)C1 61707840 375307424 /nfs/dbraw/zinc/30/74/24/375307424.db2.gz MEGVKUCHSMUQQV-MRVPVSSYSA-N 1 2 184.264 0.710 20 0 ACADLO Cc1cc(C[N@@H+]2CC[C@@H](O)C2)no1 61708817 375308001 /nfs/dbraw/zinc/30/80/01/375308001.db2.gz HLNYVVVUCCKSML-SECBINFHSA-N 1 2 182.223 0.550 20 0 ACADLO Cc1cc(C[N@H+]2CC[C@@H](O)C2)no1 61708817 375308004 /nfs/dbraw/zinc/30/80/04/375308004.db2.gz HLNYVVVUCCKSML-SECBINFHSA-N 1 2 182.223 0.550 20 0 ACADLO C[C@@H](C(N)=O)[NH+]1Cc2ccccc2C1 61679495 375308102 /nfs/dbraw/zinc/30/81/02/375308102.db2.gz ONLPMDXRFIRCCP-QMMMGPOBSA-N 1 2 190.246 0.876 20 0 ACADLO Cn1cc(Cn2cc[nH+]c2)cn1 70162842 375322307 /nfs/dbraw/zinc/32/23/07/375322307.db2.gz FLNQTLQVLQJJAP-UHFFFAOYSA-N 1 2 162.196 0.665 20 0 ACADLO CCN(C)C(=O)Cn1cc[nH+]c1 70162700 375322690 /nfs/dbraw/zinc/32/26/90/375322690.db2.gz BNQISAGUHUCJAQ-UHFFFAOYSA-N 1 2 167.212 0.361 20 0 ACADLO CSCC(=O)N1CC[NH+](C)CC1 70218578 375323177 /nfs/dbraw/zinc/32/31/77/375323177.db2.gz OVMVAEOYRMVINS-UHFFFAOYSA-N 1 2 188.296 0.123 20 0 ACADLO C[NH+]1CCN(C(=O)c2ccon2)CC1 70233042 375331681 /nfs/dbraw/zinc/33/16/81/375331681.db2.gz ZECBUANKEQTCQD-UHFFFAOYSA-N 1 2 195.222 0.062 20 0 ACADLO OC1CN(c2[nH]c3ccccc3[nH+]2)C1 70838994 375339777 /nfs/dbraw/zinc/33/97/77/375339777.db2.gz NUIBZBGTXQWGHB-UHFFFAOYSA-N 1 2 189.218 0.744 20 0 ACADLO O=C(NCc1[nH]cc[nH+]1)c1cn[nH]c1 70651621 375337348 /nfs/dbraw/zinc/33/73/48/375337348.db2.gz ROQMSZBCDDDKHR-UHFFFAOYSA-N 1 2 191.194 0.063 20 0 ACADLO O=C(NCc1[nH]cc[nH+]1)c1ccc[nH]1 70651577 375337365 /nfs/dbraw/zinc/33/73/65/375337365.db2.gz LFABVKWCKLBRJZ-UHFFFAOYSA-N 1 2 190.206 0.668 20 0 ACADLO O=C(NCc1[nH]cc[nH+]1)c1ccoc1 70651468 375337404 /nfs/dbraw/zinc/33/74/04/375337404.db2.gz FSKIYEKVUAUECR-UHFFFAOYSA-N 1 2 191.190 0.933 20 0 ACADLO O=C(NCc1[nH]cc[nH+]1)c1ccn[nH]1 70651593 375337425 /nfs/dbraw/zinc/33/74/25/375337425.db2.gz LQRIOALKGCBSCW-UHFFFAOYSA-N 1 2 191.194 0.063 20 0 ACADLO OC1C[NH+](Cc2ccsc2)C1 70841025 375339511 /nfs/dbraw/zinc/33/95/11/375339511.db2.gz BLNLXCMLIOGUQO-UHFFFAOYSA-N 1 2 169.249 0.925 20 0 ACADLO OC1C[NH+](Cc2cccs2)C1 70840477 375339645 /nfs/dbraw/zinc/33/96/45/375339645.db2.gz IXSBPKMRLBRQFC-UHFFFAOYSA-N 1 2 169.249 0.925 20 0 ACADLO OC1C[NH+](Cc2ccco2)C1 70840239 375339808 /nfs/dbraw/zinc/33/98/08/375339808.db2.gz KVFBTOOPJJWYDF-UHFFFAOYSA-N 1 2 153.181 0.456 20 0 ACADLO O=C(NCc1[nH]cc[nH+]1)c1ccco1 74828019 375345556 /nfs/dbraw/zinc/34/55/56/375345556.db2.gz VUIZYHRAQZANPY-UHFFFAOYSA-N 1 2 191.190 0.933 20 0 ACADLO CC(C)C(=O)NCc1[nH]cc[nH+]1 74828012 375345856 /nfs/dbraw/zinc/34/58/56/375345856.db2.gz SCJLJZYSQYXKOE-UHFFFAOYSA-N 1 2 167.212 0.682 20 0 ACADLO Cc1[nH]c(C(=O)NC(C)(C)CO)c[nH+]1 82268134 375352155 /nfs/dbraw/zinc/35/21/55/375352155.db2.gz OJMSKPWCZRUGGK-UHFFFAOYSA-N 1 2 197.238 0.219 20 0 ACADLO CCCNC(=O)c1c[nH+]c(C)[nH]1 82268115 375352538 /nfs/dbraw/zinc/35/25/38/375352538.db2.gz YBFCSFXETPLIHG-UHFFFAOYSA-N 1 2 167.212 0.858 20 0 ACADLO Cc1[nH]c(C(=O)NC2CC2)c[nH+]1 82268113 375352588 /nfs/dbraw/zinc/35/25/88/375352588.db2.gz LMUYBMAGIYKUNR-UHFFFAOYSA-N 1 2 165.196 0.610 20 0 ACADLO Cc1[nH]c(C(=O)NC(C)C)c[nH+]1 82268116 375352616 /nfs/dbraw/zinc/35/26/16/375352616.db2.gz HILIKSWAPLOLPZ-UHFFFAOYSA-N 1 2 167.212 0.856 20 0 ACADLO CC(C)C(=O)NCc1[nH+]ccn1C 82419059 375359387 /nfs/dbraw/zinc/35/93/87/375359387.db2.gz PIWUEAQGCNLSMD-UHFFFAOYSA-N 1 2 181.239 0.692 20 0 ACADLO Cn1cc(NCc2c[nH+]cn2C)cn1 82393486 375359426 /nfs/dbraw/zinc/35/94/26/375359426.db2.gz LCKXKWBLJQUCKW-UHFFFAOYSA-N 1 2 191.238 0.766 20 0 ACADLO COCC(=O)Nc1cc[nH+]cc1C 82557149 375364857 /nfs/dbraw/zinc/36/48/57/375364857.db2.gz IKAURJVYURAOCC-UHFFFAOYSA-N 1 2 180.207 0.975 20 0 ACADLO CN(C(=O)Cn1cc[nH+]c1)C1CC1 82615241 375366128 /nfs/dbraw/zinc/36/61/28/375366128.db2.gz INRURMRJBBGQMS-UHFFFAOYSA-N 1 2 179.223 0.504 20 0 ACADLO Cc1ccnc(-n2cc[nH+]c2)n1 82615574 375366753 /nfs/dbraw/zinc/36/67/53/375366753.db2.gz HAHCGUGZBRKLIA-UHFFFAOYSA-N 1 2 160.180 0.971 20 0 ACADLO Cc1nccc(-n2cc[nH+]c2)n1 82615578 375368307 /nfs/dbraw/zinc/36/83/07/375368307.db2.gz LHHCYRGWNZPWMF-UHFFFAOYSA-N 1 2 160.180 0.971 20 0 ACADLO Cc1cc(-n2cc[nH+]c2)ncn1 82615589 375368399 /nfs/dbraw/zinc/36/83/99/375368399.db2.gz OOCWSWKKPQCPLJ-UHFFFAOYSA-N 1 2 160.180 0.971 20 0 ACADLO O=C(NCc1[nH]cc[nH+]1)C1CC=CC1 82866126 375372501 /nfs/dbraw/zinc/37/25/01/375372501.db2.gz FKHYFLSOCBPTLE-UHFFFAOYSA-N 1 2 191.234 0.992 20 0 ACADLO O=C(NCc1c[nH+]c[nH]1)c1ccoc1 84081673 375385990 /nfs/dbraw/zinc/38/59/90/375385990.db2.gz ROUKIXVSGJXGBZ-UHFFFAOYSA-N 1 2 191.190 0.933 20 0 ACADLO O=C(NCc1c[nH]c[nH+]1)c1ccoc1 84081673 375385994 /nfs/dbraw/zinc/38/59/94/375385994.db2.gz ROUKIXVSGJXGBZ-UHFFFAOYSA-N 1 2 191.190 0.933 20 0 ACADLO O=C(NCc1c[nH+]c[nH]1)C1CC=CC1 84081700 375386507 /nfs/dbraw/zinc/38/65/07/375386507.db2.gz QLPOAYOWQGYUOW-UHFFFAOYSA-N 1 2 191.234 0.992 20 0 ACADLO O=C(NCc1c[nH]c[nH+]1)C1CC=CC1 84081700 375386511 /nfs/dbraw/zinc/38/65/11/375386511.db2.gz QLPOAYOWQGYUOW-UHFFFAOYSA-N 1 2 191.234 0.992 20 0 ACADLO COC(=O)[C@@H](C)[N@H+]1CC[C@@](C)(F)C1 261325308 375437074 /nfs/dbraw/zinc/43/70/74/375437074.db2.gz ORPNXYZSBWDWED-VXNVDRBHSA-N 1 2 189.230 0.982 20 0 ACADLO COC(=O)[C@@H](C)[N@@H+]1CC[C@@](C)(F)C1 261325308 375437068 /nfs/dbraw/zinc/43/70/68/375437068.db2.gz ORPNXYZSBWDWED-VXNVDRBHSA-N 1 2 189.230 0.982 20 0 ACADLO Cc1nc(N[C@@H]2CC[C@H]2O)cc[nH+]1 306525857 375452480 /nfs/dbraw/zinc/45/24/80/375452480.db2.gz RRUHMZZQHSFBCF-HTQZYQBOSA-N 1 2 179.223 0.720 20 0 ACADLO O=c1[nH]nc(C[NH+]2CCCCCC2)[nH]1 307347692 375468822 /nfs/dbraw/zinc/46/88/22/375468822.db2.gz AVWQKPGITALSGD-UHFFFAOYSA-N 1 2 196.254 0.474 20 0 ACADLO C[C@@H]1C[C@H]([NH2+]Cc2ncn(C)n2)CO1 401900340 375518200 /nfs/dbraw/zinc/51/82/00/375518200.db2.gz CZTVZCKLWOLBKW-SFYZADRCSA-N 1 2 196.254 0.082 20 0 ACADLO C[C@H]1C[C@H]([NH2+]Cc2ncn(C)n2)CO1 401900342 375518314 /nfs/dbraw/zinc/51/83/14/375518314.db2.gz CZTVZCKLWOLBKW-YUMQZZPRSA-N 1 2 196.254 0.082 20 0 ACADLO C[C@@H]1C[C@@H]([NH2+]Cc2ncn(C)n2)CO1 401900338 375518795 /nfs/dbraw/zinc/51/87/95/375518795.db2.gz CZTVZCKLWOLBKW-HTQZYQBOSA-N 1 2 196.254 0.082 20 0 ACADLO C[C@H]1C[C@@H]([NH2+]Cc2ncn(C)n2)CO1 401900339 375518843 /nfs/dbraw/zinc/51/88/43/375518843.db2.gz CZTVZCKLWOLBKW-JGVFFNPUSA-N 1 2 196.254 0.082 20 0 ACADLO C[C@H]1C[C@H]([NH2+]CC(F)(F)CO)CO1 401969684 375523666 /nfs/dbraw/zinc/52/36/66/375523666.db2.gz KFHAPDCWBCJASZ-BQBZGAKWSA-N 1 2 195.209 0.381 20 0 ACADLO C[C@H]1C[C@@H]([NH2+]CC(F)(F)CO)CO1 401969685 375523534 /nfs/dbraw/zinc/52/35/34/375523534.db2.gz KFHAPDCWBCJASZ-NKWVEPMBSA-N 1 2 195.209 0.381 20 0 ACADLO C[C@@H]1C[C@@H]([NH2+]CC(F)(F)CO)CO1 401969686 375523571 /nfs/dbraw/zinc/52/35/71/375523571.db2.gz KFHAPDCWBCJASZ-RNFRBKRXSA-N 1 2 195.209 0.381 20 0 ACADLO C[C@@H]1C[C@H]([NH2+]CC(F)(F)CO)CO1 401969687 375523750 /nfs/dbraw/zinc/52/37/50/375523750.db2.gz KFHAPDCWBCJASZ-RQJHMYQMSA-N 1 2 195.209 0.381 20 0 ACADLO Nc1[nH+]cccc1[C@@H](O)CCO 521400068 375541903 /nfs/dbraw/zinc/54/19/03/375541903.db2.gz YIULDWCVXKBXLC-ZETCQYMHSA-N 1 2 168.196 0.080 20 0 ACADLO Nc1[nH+]cccc1[C@H](O)CCO 521400067 375542039 /nfs/dbraw/zinc/54/20/39/375542039.db2.gz YIULDWCVXKBXLC-SSDOTTSWSA-N 1 2 168.196 0.080 20 0 ACADLO COC(=O)[C@@H]1[NH2+]CC12CC(C)C2 521400143 375542972 /nfs/dbraw/zinc/54/29/72/375542972.db2.gz CFJSBAIQOXQYQF-CRMOQAEOSA-N 1 2 169.224 0.548 20 0 ACADLO COC(=O)[C@H]1[NH2+]CC12CC(C)C2 521400144 375543015 /nfs/dbraw/zinc/54/30/15/375543015.db2.gz CFJSBAIQOXQYQF-KDIYEYIXSA-N 1 2 169.224 0.548 20 0 ACADLO COC(=O)[C@H]1[NH2+]C[C@@]12C[C@@H]1C[C@@H]1C2 521400291 375543040 /nfs/dbraw/zinc/54/30/40/375543040.db2.gz IOBJQYWNKDFCPH-IBCQBUCCSA-N 1 2 181.235 0.548 20 0 ACADLO COC(=O)[C@@H]1[NH2+]C[C@@]12C[C@@H]1C[C@@H]1C2 521400293 375543106 /nfs/dbraw/zinc/54/31/06/375543106.db2.gz IOBJQYWNKDFCPH-ODHVRURNSA-N 1 2 181.235 0.548 20 0 ACADLO COC(=O)[C@@H]1[NH2+]C[C@]12CC[C@@H]1C[C@@H]12 521400136 375543129 /nfs/dbraw/zinc/54/31/29/375543129.db2.gz BVNXDNRLYSEXAD-VEVYYDQMSA-N 1 2 181.235 0.548 20 0 ACADLO COC(=O)[C@@H]1[NH2+]C[C@@]12CC2(F)F 521400448 375543691 /nfs/dbraw/zinc/54/36/91/375543691.db2.gz MVUKBCAWAGLNDF-NJGYIYPDSA-N 1 2 177.150 0.157 20 0 ACADLO COC(=O)[C@H]1[NH2+]C[C@]12CC2(F)F 521400447 375543716 /nfs/dbraw/zinc/54/37/16/375543716.db2.gz MVUKBCAWAGLNDF-INEUFUBQSA-N 1 2 177.150 0.157 20 0 ACADLO COC(=O)[C@H]1[NH2+]CC12CCC(=O)CC2 521400451 375543817 /nfs/dbraw/zinc/54/38/17/375543817.db2.gz MWXWLBHHXNTZSL-MRVPVSSYSA-N 1 2 197.234 0.261 20 0 ACADLO COC(=O)[C@H]1[NH2+]C[C@@]12CC2(F)F 521400450 375543835 /nfs/dbraw/zinc/54/38/35/375543835.db2.gz MVUKBCAWAGLNDF-XINAWCOVSA-N 1 2 177.150 0.157 20 0 ACADLO COC(=O)[C@@H]1[NH2+]CC12CCC(=O)CC2 521400452 375544003 /nfs/dbraw/zinc/54/40/03/375544003.db2.gz MWXWLBHHXNTZSL-QMMMGPOBSA-N 1 2 197.234 0.261 20 0 ACADLO COC(=O)[C@@H]1[NH2+]C[C@]12CC2(F)F 521400449 375544052 /nfs/dbraw/zinc/54/40/52/375544052.db2.gz MVUKBCAWAGLNDF-UJURSFKZSA-N 1 2 177.150 0.157 20 0 ACADLO CC(=O)NCC[N@@H+](C)Cc1ccno1 646044983 375572572 /nfs/dbraw/zinc/57/25/72/375572572.db2.gz RHESUZSMMIVGNK-UHFFFAOYSA-N 1 2 197.238 0.243 20 0 ACADLO CO[C@@H]1COC[C@H]1[NH2+]Cc1ccon1 646042669 375570331 /nfs/dbraw/zinc/57/03/31/375570331.db2.gz SHPYGZXITNKZLI-RKDXNWHRSA-N 1 2 198.222 0.178 20 0 ACADLO CO[C@@H]1COC[C@H]1[NH2+]CC(F)F 646042606 375570343 /nfs/dbraw/zinc/57/03/43/375570343.db2.gz BHTREPNLQXFACI-PHDIDXHHSA-N 1 2 181.182 0.255 20 0 ACADLO Cc1sccc1C[N@H+](C)CC(N)=O 646051230 375572041 /nfs/dbraw/zinc/57/20/41/375572041.db2.gz JDHBQEZDOIQQCP-UHFFFAOYSA-N 1 2 198.291 0.974 20 0 ACADLO Cc1sccc1C[N@@H+](C)CC(N)=O 646051230 375572049 /nfs/dbraw/zinc/57/20/49/375572049.db2.gz JDHBQEZDOIQQCP-UHFFFAOYSA-N 1 2 198.291 0.974 20 0 ACADLO CC(=O)NCC[N@H+](C)Cc1ccno1 646044983 375572576 /nfs/dbraw/zinc/57/25/76/375572576.db2.gz RHESUZSMMIVGNK-UHFFFAOYSA-N 1 2 197.238 0.243 20 0 ACADLO C[N@H+](Cc1n[nH]c(=O)[nH]1)C(C)(C)C 646088453 375574894 /nfs/dbraw/zinc/57/48/94/375574894.db2.gz KZSHBJYHAHTWSB-UHFFFAOYSA-N 1 2 184.243 0.741 20 0 ACADLO C[N@@H+](Cc1n[nH]c(=O)[nH]1)C(C)(C)C 646088453 375574895 /nfs/dbraw/zinc/57/48/95/375574895.db2.gz KZSHBJYHAHTWSB-UHFFFAOYSA-N 1 2 184.243 0.741 20 0 ACADLO CC[N@@H+](CC(N)=O)Cc1conc1C 646173290 375582712 /nfs/dbraw/zinc/58/27/12/375582712.db2.gz DLOMZOVBWSPQDH-UHFFFAOYSA-N 1 2 197.238 0.290 20 0 ACADLO CC[N@H+](CC(N)=O)Cc1conc1C 646173290 375582709 /nfs/dbraw/zinc/58/27/09/375582709.db2.gz DLOMZOVBWSPQDH-UHFFFAOYSA-N 1 2 197.238 0.290 20 0 ACADLO CC[N@H+](Cc1cn[nH]c1C)[C@@H](C)CO 646263452 375587685 /nfs/dbraw/zinc/58/76/85/375587685.db2.gz BXMGEHDHXFDAFO-QMMMGPOBSA-N 1 2 197.282 0.921 20 0 ACADLO CC[N@@H+](Cc1cn[nH]c1C)[C@@H](C)CO 646263452 375587691 /nfs/dbraw/zinc/58/76/91/375587691.db2.gz BXMGEHDHXFDAFO-QMMMGPOBSA-N 1 2 197.282 0.921 20 0 ACADLO CNC(=O)[C@@H]1CCc2c[nH+]cn2C1 646578437 375596289 /nfs/dbraw/zinc/59/62/89/375596289.db2.gz PJEOKLFIVWFLFE-SSDOTTSWSA-N 1 2 179.223 0.192 20 0 ACADLO CNC(=O)[C@H]1CCc2c[nH+]cn2C1 646578438 375596757 /nfs/dbraw/zinc/59/67/57/375596757.db2.gz PJEOKLFIVWFLFE-ZETCQYMHSA-N 1 2 179.223 0.192 20 0 ACADLO C[C@@H](CF)NC(=O)CCc1[nH]cc[nH+]1 647075817 375616797 /nfs/dbraw/zinc/61/67/97/375616797.db2.gz BHKOFBLQPNSCQS-ZETCQYMHSA-N 1 2 199.229 0.817 20 0 ACADLO C[C@@H](CF)NC(=O)CCc1c[nH+]c[nH]1 647074190 375616928 /nfs/dbraw/zinc/61/69/28/375616928.db2.gz HYUWQXMMEYFPLB-ZETCQYMHSA-N 1 2 199.229 0.817 20 0 ACADLO C[C@@H](CF)NC(=O)CCc1c[nH]c[nH+]1 647074190 375616936 /nfs/dbraw/zinc/61/69/36/375616936.db2.gz HYUWQXMMEYFPLB-ZETCQYMHSA-N 1 2 199.229 0.817 20 0 ACADLO C[C@@H](CF)NC(=O)CCn1cc[nH+]c1 647074536 375617084 /nfs/dbraw/zinc/61/70/84/375617084.db2.gz ACWDTBFOGXURCL-QMMMGPOBSA-N 1 2 199.229 0.747 20 0 ACADLO C[C@@H](CF)NC(=O)Cc1c[nH+]cn1C 647074634 375617222 /nfs/dbraw/zinc/61/72/22/375617222.db2.gz RPGDVMVWUQSQTA-ZETCQYMHSA-N 1 2 199.229 0.437 20 0 ACADLO C[C@H](O)CCOCc1[nH]cc[nH+]1 647119345 375622521 /nfs/dbraw/zinc/62/25/21/375622521.db2.gz OMRKOWJUMYFVKM-ZETCQYMHSA-N 1 2 170.212 0.697 20 0 ACADLO C[C@@H](O)CCOCc1[nH]cc[nH+]1 647119342 375622543 /nfs/dbraw/zinc/62/25/43/375622543.db2.gz OMRKOWJUMYFVKM-SSDOTTSWSA-N 1 2 170.212 0.697 20 0 ACADLO COc1ncncc1C[NH2+][C@H](C)CF 647211374 375630114 /nfs/dbraw/zinc/63/01/14/375630114.db2.gz OKWZNXQKLCSWDW-SSDOTTSWSA-N 1 2 199.229 0.933 20 0 ACADLO COc1ncncc1C[NH2+][C@@H](C)CF 647211375 375630254 /nfs/dbraw/zinc/63/02/54/375630254.db2.gz OKWZNXQKLCSWDW-ZETCQYMHSA-N 1 2 199.229 0.933 20 0 ACADLO OCC(F)(F)C[NH2+]CC1(O)CCC1 647526934 375652025 /nfs/dbraw/zinc/65/20/25/375652025.db2.gz VXQBBAOSKRAIJF-UHFFFAOYSA-N 1 2 195.209 0.119 20 0 ACADLO Cn1nnc(C[N@H+](C)C(C)(C)C)n1 647908353 375675617 /nfs/dbraw/zinc/67/56/17/375675617.db2.gz UCUGVPBWBIYFHQ-UHFFFAOYSA-N 1 2 183.259 0.440 20 0 ACADLO Cn1nnc(C[N@@H+](C)C(C)(C)C)n1 647908353 375675623 /nfs/dbraw/zinc/67/56/23/375675623.db2.gz 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/nfs/dbraw/zinc/67/80/58/375678058.db2.gz QCAOQMSZCVMZDO-UHFFFAOYSA-N 1 2 181.239 0.081 20 0 ACADLO C[C@@H]1C[N@H+](CCc2c[nH]nn2)CCO1 647955206 375678100 /nfs/dbraw/zinc/67/81/00/375678100.db2.gz FWQYKCJYTMLSFQ-MRVPVSSYSA-N 1 2 196.254 0.068 20 0 ACADLO C[C@@H]1C[N@@H+](CCc2c[nH]nn2)CCO1 647955206 375678106 /nfs/dbraw/zinc/67/81/06/375678106.db2.gz FWQYKCJYTMLSFQ-MRVPVSSYSA-N 1 2 196.254 0.068 20 0 ACADLO C[C@@H]1C[N@H+](CCc2cn[nH]n2)CCO1 647955206 375678114 /nfs/dbraw/zinc/67/81/14/375678114.db2.gz FWQYKCJYTMLSFQ-MRVPVSSYSA-N 1 2 196.254 0.068 20 0 ACADLO C[C@@H]1C[N@@H+](CCc2cn[nH]n2)CCO1 647955206 375678117 /nfs/dbraw/zinc/67/81/17/375678117.db2.gz FWQYKCJYTMLSFQ-MRVPVSSYSA-N 1 2 196.254 0.068 20 0 ACADLO CCOCC[N@@H+]1CCn2cncc2C1 647939748 375678286 /nfs/dbraw/zinc/67/82/86/375678286.db2.gz ZQOIFDBVLSWEOZ-UHFFFAOYSA-N 1 2 195.266 0.735 20 0 ACADLO CCOCC[N@H+]1CCn2cncc2C1 647939748 375678291 /nfs/dbraw/zinc/67/82/91/375678291.db2.gz ZQOIFDBVLSWEOZ-UHFFFAOYSA-N 1 2 195.266 0.735 20 0 ACADLO CCOCCN1CCn2c[nH+]cc2C1 647939748 375678298 /nfs/dbraw/zinc/67/82/98/375678298.db2.gz ZQOIFDBVLSWEOZ-UHFFFAOYSA-N 1 2 195.266 0.735 20 0 ACADLO C[C@H]1C[N@H+](CCc2c[nH]nn2)CCO1 647955207 375678657 /nfs/dbraw/zinc/67/86/57/375678657.db2.gz FWQYKCJYTMLSFQ-QMMMGPOBSA-N 1 2 196.254 0.068 20 0 ACADLO C[C@H]1C[N@@H+](CCc2c[nH]nn2)CCO1 647955207 375678661 /nfs/dbraw/zinc/67/86/61/375678661.db2.gz FWQYKCJYTMLSFQ-QMMMGPOBSA-N 1 2 196.254 0.068 20 0 ACADLO C[C@H]1C[N@H+](CCc2cn[nH]n2)CCO1 647955207 375678665 /nfs/dbraw/zinc/67/86/65/375678665.db2.gz FWQYKCJYTMLSFQ-QMMMGPOBSA-N 1 2 196.254 0.068 20 0 ACADLO C[C@H]1C[N@@H+](CCc2cn[nH]n2)CCO1 647955207 375678670 /nfs/dbraw/zinc/67/86/70/375678670.db2.gz FWQYKCJYTMLSFQ-QMMMGPOBSA-N 1 2 196.254 0.068 20 0 ACADLO FC1=CCC[N@H+](CCc2cn[nH]n2)C1 647970483 375679922 /nfs/dbraw/zinc/67/99/22/375679922.db2.gz SBDSUAWTFZEWBF-UHFFFAOYSA-N 1 2 196.229 0.906 20 0 ACADLO FC1=CCC[N@@H+](CCc2cn[nH]n2)C1 647970483 375679926 /nfs/dbraw/zinc/67/99/26/375679926.db2.gz SBDSUAWTFZEWBF-UHFFFAOYSA-N 1 2 196.229 0.906 20 0 ACADLO CC1=CC[N@H+](CCc2cnn[nH]2)CC1 647969253 375680758 /nfs/dbraw/zinc/68/07/58/375680758.db2.gz RSABETBXUXVFSQ-UHFFFAOYSA-N 1 2 192.266 0.999 20 0 ACADLO CC1=CC[N@@H+](CCc2cnn[nH]2)CC1 647969253 375680764 /nfs/dbraw/zinc/68/07/64/375680764.db2.gz RSABETBXUXVFSQ-UHFFFAOYSA-N 1 2 192.266 0.999 20 0 ACADLO Cc1cc(C[N@H+](C)CC(N)=O)cs1 648356402 375710538 /nfs/dbraw/zinc/71/05/38/375710538.db2.gz FSQMEBGCGXZZLK-UHFFFAOYSA-N 1 2 198.291 0.974 20 0 ACADLO Cc1cc(C[N@@H+](C)CC(N)=O)cs1 648356402 375710542 /nfs/dbraw/zinc/71/05/42/375710542.db2.gz FSQMEBGCGXZZLK-UHFFFAOYSA-N 1 2 198.291 0.974 20 0 ACADLO COc1nccnc1C[NH2+][C@H](C)CF 648589166 375719231 /nfs/dbraw/zinc/71/92/31/375719231.db2.gz YFMZGDYTXBAQCS-SSDOTTSWSA-N 1 2 199.229 0.933 20 0 ACADLO COc1nccnc1C[NH2+][C@@H](C)CF 648589167 375719435 /nfs/dbraw/zinc/71/94/35/375719435.db2.gz YFMZGDYTXBAQCS-ZETCQYMHSA-N 1 2 199.229 0.933 20 0 ACADLO c1n[nH]cc1C[N@H+](C1CC1)C1COC1 648606452 375722162 /nfs/dbraw/zinc/72/21/62/375722162.db2.gz FIBKCQHSNAVFCT-UHFFFAOYSA-N 1 2 193.250 0.773 20 0 ACADLO c1n[nH]cc1C[N@@H+](C1CC1)C1COC1 648606452 375722164 /nfs/dbraw/zinc/72/21/64/375722164.db2.gz FIBKCQHSNAVFCT-UHFFFAOYSA-N 1 2 193.250 0.773 20 0 ACADLO F[C@@H]1CC[N@H+](Cc2cn[nH]c2)C1 648721341 375738019 /nfs/dbraw/zinc/73/80/19/375738019.db2.gz BGLWEZGGDOFMLV-MRVPVSSYSA-N 1 2 169.203 0.954 20 0 ACADLO CC[C@H](CO)[N@H+](C)Cc1cn[nH]c1C 648631693 375726856 /nfs/dbraw/zinc/72/68/56/375726856.db2.gz YOTFPYIIUXBFBH-SNVBAGLBSA-N 1 2 197.282 0.921 20 0 ACADLO CC[C@H](CO)[N@@H+](C)Cc1cn[nH]c1C 648631693 375726860 /nfs/dbraw/zinc/72/68/60/375726860.db2.gz YOTFPYIIUXBFBH-SNVBAGLBSA-N 1 2 197.282 0.921 20 0 ACADLO CC[C@@H](CO)[N@H+](C)Cc1cn[nH]c1C 648631689 375726988 /nfs/dbraw/zinc/72/69/88/375726988.db2.gz YOTFPYIIUXBFBH-JTQLQIEISA-N 1 2 197.282 0.921 20 0 ACADLO CC[C@@H](CO)[N@@H+](C)Cc1cn[nH]c1C 648631689 375726994 /nfs/dbraw/zinc/72/69/94/375726994.db2.gz YOTFPYIIUXBFBH-JTQLQIEISA-N 1 2 197.282 0.921 20 0 ACADLO F[C@H]1CC[N@H+](Cc2cn[nH]c2)C1 648720650 375737240 /nfs/dbraw/zinc/73/72/40/375737240.db2.gz BGLWEZGGDOFMLV-QMMMGPOBSA-N 1 2 169.203 0.954 20 0 ACADLO F[C@H]1CC[N@@H+](Cc2cn[nH]c2)C1 648720650 375737242 /nfs/dbraw/zinc/73/72/42/375737242.db2.gz BGLWEZGGDOFMLV-QMMMGPOBSA-N 1 2 169.203 0.954 20 0 ACADLO F[C@@H]1CC[N@@H+](Cc2cn[nH]c2)C1 648721341 375738029 /nfs/dbraw/zinc/73/80/29/375738029.db2.gz BGLWEZGGDOFMLV-MRVPVSSYSA-N 1 2 169.203 0.954 20 0 ACADLO C[C@H](CC(=O)N(C)C)n1cc[nH+]c1 651061856 409320097 /nfs/dbraw/zinc/32/00/97/409320097.db2.gz HXYGKXGQAOFRKS-MRVPVSSYSA-N 1 2 181.239 0.922 20 0 ACADLO C[C@@H](CC(=O)N(C)C)n1cc[nH+]c1 651061857 409320630 /nfs/dbraw/zinc/32/06/30/409320630.db2.gz HXYGKXGQAOFRKS-QMMMGPOBSA-N 1 2 181.239 0.922 20 0 ACADLO CC[C@H]1C[N@H+](CC(C)=O)CCO1 37338429 409326178 /nfs/dbraw/zinc/32/61/78/409326178.db2.gz PFAAUMXDNZUFLT-VIFPVBQESA-N 1 2 171.240 0.686 20 0 ACADLO CC[C@H]1C[N@@H+](CC(C)=O)CCO1 37338429 409326182 /nfs/dbraw/zinc/32/61/82/409326182.db2.gz PFAAUMXDNZUFLT-VIFPVBQESA-N 1 2 171.240 0.686 20 0 ACADLO CC[C@@H]1C[N@H+](CC(C)=O)CCO1 37338427 409326323 /nfs/dbraw/zinc/32/63/23/409326323.db2.gz PFAAUMXDNZUFLT-SECBINFHSA-N 1 2 171.240 0.686 20 0 ACADLO CC[C@@H]1C[N@@H+](CC(C)=O)CCO1 37338427 409326328 /nfs/dbraw/zinc/32/63/28/409326328.db2.gz PFAAUMXDNZUFLT-SECBINFHSA-N 1 2 171.240 0.686 20 0 ACADLO Cc1cc(N[C@@H](CO)CCF)nc[nH+]1 651462208 409330037 /nfs/dbraw/zinc/33/00/37/409330037.db2.gz TYHGCUAEVYFBIU-MRVPVSSYSA-N 1 2 199.229 0.917 20 0 ACADLO Cc1nc(N(C)[C@H](C)CCO)cc[nH+]1 651471351 409330075 /nfs/dbraw/zinc/33/00/75/409330075.db2.gz RCTBHSAWPZJJQG-MRVPVSSYSA-N 1 2 195.266 0.992 20 0 ACADLO Cc1nc(N[C@@H](CO)CCF)cc[nH+]1 651463305 409330181 /nfs/dbraw/zinc/33/01/81/409330181.db2.gz PGLXNHTYKWKXHV-MRVPVSSYSA-N 1 2 199.229 0.917 20 0 ACADLO Cc1cc(N[C@H](CO)CCF)nc[nH+]1 651462209 409330253 /nfs/dbraw/zinc/33/02/53/409330253.db2.gz TYHGCUAEVYFBIU-QMMMGPOBSA-N 1 2 199.229 0.917 20 0 ACADLO Cc1nc(N(C)[C@@H](C)CCO)cc[nH+]1 651471352 409330903 /nfs/dbraw/zinc/33/09/03/409330903.db2.gz RCTBHSAWPZJJQG-QMMMGPOBSA-N 1 2 195.266 0.992 20 0 ACADLO Cc1nc(N[C@H](CO)CCF)cc[nH+]1 651463306 409331363 /nfs/dbraw/zinc/33/13/63/409331363.db2.gz PGLXNHTYKWKXHV-QMMMGPOBSA-N 1 2 199.229 0.917 20 0 ACADLO CCNC(=O)NCCCn1cc[nH+]c1 38258664 409342027 /nfs/dbraw/zinc/34/20/27/409342027.db2.gz WEXFKRHUQYKIEI-UHFFFAOYSA-N 1 2 196.254 0.592 20 0 ACADLO OC[C@@H](CCF)[NH2+]Cc1ccn[nH]1 652016714 409345087 /nfs/dbraw/zinc/34/50/87/409345087.db2.gz FTGBMJBCBQYQPL-MRVPVSSYSA-N 1 2 187.218 0.220 20 0 ACADLO CCN(CCO)c1cc(CO)cc[nH+]1 40879153 409346014 /nfs/dbraw/zinc/34/60/14/409346014.db2.gz ZAVMNKFOAMOAAL-UHFFFAOYSA-N 1 2 196.250 0.393 20 0 ACADLO OC[C@H](CCF)[NH2+]Cc1ccn[nH]1 652016715 409346134 /nfs/dbraw/zinc/34/61/34/409346134.db2.gz FTGBMJBCBQYQPL-QMMMGPOBSA-N 1 2 187.218 0.220 20 0 ACADLO CN(CCO)c1cc(CO)cc[nH+]1 40879189 409347242 /nfs/dbraw/zinc/34/72/42/409347242.db2.gz JDFMNXRMOFDHGW-UHFFFAOYSA-N 1 2 182.223 0.002 20 0 ACADLO Cc1[nH]ncc1C[N@@H+](C)[C@@H](C)CCO 652047443 409348187 /nfs/dbraw/zinc/34/81/87/409348187.db2.gz PHYKCPRMJHKIBC-QMMMGPOBSA-N 1 2 197.282 0.921 20 0 ACADLO Cc1[nH]ncc1C[N@H+](C)[C@@H](C)CCO 652047443 409348191 /nfs/dbraw/zinc/34/81/91/409348191.db2.gz PHYKCPRMJHKIBC-QMMMGPOBSA-N 1 2 197.282 0.921 20 0 ACADLO Cc1[nH]ncc1C[N@@H+](C)[C@H](C)CCO 652047442 409348398 /nfs/dbraw/zinc/34/83/98/409348398.db2.gz PHYKCPRMJHKIBC-MRVPVSSYSA-N 1 2 197.282 0.921 20 0 ACADLO Cc1[nH]ncc1C[N@H+](C)[C@H](C)CCO 652047442 409348403 /nfs/dbraw/zinc/34/84/03/409348403.db2.gz PHYKCPRMJHKIBC-MRVPVSSYSA-N 1 2 197.282 0.921 20 0 ACADLO O=C(C[NH+]1CCCC1)Nc1ccon1 41362268 409349037 /nfs/dbraw/zinc/34/90/37/409349037.db2.gz YEEFAQDJLUXCDA-UHFFFAOYSA-N 1 2 195.222 0.709 20 0 ACADLO Cn1nncc1C[N@@H+]1CCC[C@H](F)C1 652077274 409349478 /nfs/dbraw/zinc/34/94/78/409349478.db2.gz XKHDCJPNVOKJFY-QMMMGPOBSA-N 1 2 198.245 0.749 20 0 ACADLO Cn1nncc1C[N@H+]1CCC[C@H](F)C1 652077274 409349482 /nfs/dbraw/zinc/34/94/82/409349482.db2.gz XKHDCJPNVOKJFY-QMMMGPOBSA-N 1 2 198.245 0.749 20 0 ACADLO O=C(Cn1cc[nH+]c1)Nc1ccon1 41391576 409350143 /nfs/dbraw/zinc/35/01/43/409350143.db2.gz OONVECFGISOZTI-UHFFFAOYSA-N 1 2 192.178 0.510 20 0 ACADLO Cn1nncc1C[N@@H+]1CCC[C@@H](F)C1 652077273 409350643 /nfs/dbraw/zinc/35/06/43/409350643.db2.gz XKHDCJPNVOKJFY-MRVPVSSYSA-N 1 2 198.245 0.749 20 0 ACADLO Cn1nncc1C[N@H+]1CCC[C@@H](F)C1 652077273 409350644 /nfs/dbraw/zinc/35/06/44/409350644.db2.gz XKHDCJPNVOKJFY-MRVPVSSYSA-N 1 2 198.245 0.749 20 0 ACADLO C[C@H](O)C(=O)NC(C)(C)c1[nH]cc[nH+]1 652412059 409355288 /nfs/dbraw/zinc/35/52/88/409355288.db2.gz JYMDIBKIBVZRIP-LURJTMIESA-N 1 2 197.238 0.142 20 0 ACADLO COCC(=O)NC(C)(C)c1[nH]cc[nH+]1 652409661 409355393 /nfs/dbraw/zinc/35/53/93/409355393.db2.gz AXCWAVWTZKWQMI-UHFFFAOYSA-N 1 2 197.238 0.407 20 0 ACADLO C[C@H](O)CCn1cc[nH+]c1 44180501 409355585 /nfs/dbraw/zinc/35/55/85/409355585.db2.gz QNMUGPNHWCPMDV-ZETCQYMHSA-N 1 2 140.186 0.654 20 0 ACADLO C[C@@H](O)C(=O)NC(C)(C)c1[nH]cc[nH+]1 652412062 409355661 /nfs/dbraw/zinc/35/56/61/409355661.db2.gz JYMDIBKIBVZRIP-ZCFIWIBFSA-N 1 2 197.238 0.142 20 0 ACADLO CC(=O)NC(C)(C)c1[nH]cc[nH+]1 652409635 409355888 /nfs/dbraw/zinc/35/58/88/409355888.db2.gz YUCFVBILAQCSHJ-UHFFFAOYSA-N 1 2 167.212 0.781 20 0 ACADLO C[C@@H](O)CCn1cc[nH+]c1 44180503 409356976 /nfs/dbraw/zinc/35/69/76/409356976.db2.gz QNMUGPNHWCPMDV-SSDOTTSWSA-N 1 2 140.186 0.654 20 0 ACADLO CCOC[C@H](C)[NH2+][C@@H](C)C(=O)OC 44723328 409358807 /nfs/dbraw/zinc/35/88/07/409358807.db2.gz SUJJEYRDOUZZFE-YUMQZZPRSA-N 1 2 189.255 0.563 20 0 ACADLO CC[N@H+](CCO)Cc1nc(C)no1 47878742 409364607 /nfs/dbraw/zinc/36/46/07/409364607.db2.gz DNIDGFVSYFDZCQ-UHFFFAOYSA-N 1 2 185.227 0.192 20 0 ACADLO CC[N@@H+](CCO)Cc1nc(C)no1 47878742 409364612 /nfs/dbraw/zinc/36/46/12/409364612.db2.gz DNIDGFVSYFDZCQ-UHFFFAOYSA-N 1 2 185.227 0.192 20 0 ACADLO C[N@H+](CCO)Cc1nc(C2CC2)no1 47953352 409365820 /nfs/dbraw/zinc/36/58/20/409365820.db2.gz SSCQDKVSZWPEJD-UHFFFAOYSA-N 1 2 197.238 0.371 20 0 ACADLO C[N@@H+](CCO)Cc1nc(C2CC2)no1 47953352 409365824 /nfs/dbraw/zinc/36/58/24/409365824.db2.gz SSCQDKVSZWPEJD-UHFFFAOYSA-N 1 2 197.238 0.371 20 0 ACADLO CC[N@H+](CC(N)=O)Cc1ccco1 47878863 409366080 /nfs/dbraw/zinc/36/60/80/409366080.db2.gz BSCSYKQSNTURFW-UHFFFAOYSA-N 1 2 182.223 0.587 20 0 ACADLO CCC[N@H+](CCO)Cc1nc(C)no1 47868519 409366464 /nfs/dbraw/zinc/36/64/64/409366464.db2.gz BILZDHATZXBKFR-UHFFFAOYSA-N 1 2 199.254 0.582 20 0 ACADLO CCC[N@@H+](CCO)Cc1nc(C)no1 47868519 409366468 /nfs/dbraw/zinc/36/64/68/409366468.db2.gz BILZDHATZXBKFR-UHFFFAOYSA-N 1 2 199.254 0.582 20 0 ACADLO CCC[NH2+][C@@](C)(COC)C(=O)OC 45506628 409366741 /nfs/dbraw/zinc/36/67/41/409366741.db2.gz XCCPMUMCSKZPPE-VIFPVBQESA-N 1 2 189.255 0.564 20 0 ACADLO CC(C)c1noc(C[N@H+](C)CCO)n1 47953338 409366992 /nfs/dbraw/zinc/36/69/92/409366992.db2.gz SDEOAWNIUGTNOY-UHFFFAOYSA-N 1 2 199.254 0.617 20 0 ACADLO CC(C)c1noc(C[N@@H+](C)CCO)n1 47953338 409366996 /nfs/dbraw/zinc/36/69/96/409366996.db2.gz SDEOAWNIUGTNOY-UHFFFAOYSA-N 1 2 199.254 0.617 20 0 ACADLO Cc1cc(C[N@H+](CCO)C2CC2)no1 48065361 409368682 /nfs/dbraw/zinc/36/86/82/409368682.db2.gz YHRYUFARLZACJY-UHFFFAOYSA-N 1 2 196.250 0.940 20 0 ACADLO Cc1cc(C[N@@H+](CCO)C2CC2)no1 48065361 409368690 /nfs/dbraw/zinc/36/86/90/409368690.db2.gz YHRYUFARLZACJY-UHFFFAOYSA-N 1 2 196.250 0.940 20 0 ACADLO Cc1noc(C[N@H+](CCO)C2CC2)n1 48065449 409370217 /nfs/dbraw/zinc/37/02/17/409370217.db2.gz JPKNLXRAUNBHDF-UHFFFAOYSA-N 1 2 197.238 0.335 20 0 ACADLO Cc1noc(C[N@@H+](CCO)C2CC2)n1 48065449 409370222 /nfs/dbraw/zinc/37/02/22/409370222.db2.gz JPKNLXRAUNBHDF-UHFFFAOYSA-N 1 2 197.238 0.335 20 0 ACADLO CCC[N@H+](CCO)Cc1noc(C)n1 48347057 409370395 /nfs/dbraw/zinc/37/03/95/409370395.db2.gz VNUUPKPILVWYJC-UHFFFAOYSA-N 1 2 199.254 0.582 20 0 ACADLO CCC[N@@H+](CCO)Cc1noc(C)n1 48347057 409370401 /nfs/dbraw/zinc/37/04/01/409370401.db2.gz VNUUPKPILVWYJC-UHFFFAOYSA-N 1 2 199.254 0.582 20 0 ACADLO CC(=O)c1cc(C[N@H+](C)CCO)on1 653491286 409371524 /nfs/dbraw/zinc/37/15/24/409371524.db2.gz RLDGCDNGROSUAE-UHFFFAOYSA-N 1 2 198.222 0.301 20 0 ACADLO CC(=O)c1cc(C[N@@H+](C)CCO)on1 653491286 409371531 /nfs/dbraw/zinc/37/15/31/409371531.db2.gz RLDGCDNGROSUAE-UHFFFAOYSA-N 1 2 198.222 0.301 20 0 ACADLO C[N@H+](CCO)CC(=O)OC(C)(C)C 49633653 409374144 /nfs/dbraw/zinc/37/41/44/409374144.db2.gz CGBWQTWOZNBUAK-UHFFFAOYSA-N 1 2 189.255 0.252 20 0 ACADLO C[N@@H+](CCO)CC(=O)OC(C)(C)C 49633653 409374152 /nfs/dbraw/zinc/37/41/52/409374152.db2.gz CGBWQTWOZNBUAK-UHFFFAOYSA-N 1 2 189.255 0.252 20 0 ACADLO CCc1noc(C[N@H+](CC)CCO)n1 49832219 409375723 /nfs/dbraw/zinc/37/57/23/409375723.db2.gz PPKBVUXHECHIKJ-UHFFFAOYSA-N 1 2 199.254 0.446 20 0 ACADLO CCc1noc(C[N@@H+](CC)CCO)n1 49832219 409375725 /nfs/dbraw/zinc/37/57/25/409375725.db2.gz PPKBVUXHECHIKJ-UHFFFAOYSA-N 1 2 199.254 0.446 20 0 ACADLO NC(=O)C[N@@H+]1CCC(=O)CC12CCC2 653764266 409376779 /nfs/dbraw/zinc/37/67/79/409376779.db2.gz SWYUZJMLEGWCOW-UHFFFAOYSA-N 1 2 196.250 0.059 20 0 ACADLO NC(=O)C[N@H+]1CCC(=O)CC12CCC2 653764266 409376783 /nfs/dbraw/zinc/37/67/83/409376783.db2.gz SWYUZJMLEGWCOW-UHFFFAOYSA-N 1 2 196.250 0.059 20 0 ACADLO CCNC(=O)C[N@H+](CC)CC(C)=O 50155045 409377278 /nfs/dbraw/zinc/37/72/78/409377278.db2.gz LLCRVXJABCQOGN-UHFFFAOYSA-N 1 2 186.255 0.033 20 0 ACADLO CCNC(=O)C[N@@H+](CC)CC(C)=O 50155045 409377283 /nfs/dbraw/zinc/37/72/83/409377283.db2.gz LLCRVXJABCQOGN-UHFFFAOYSA-N 1 2 186.255 0.033 20 0 ACADLO CCc1noc(C[N@H+](C)CCO)n1 49832230 409377303 /nfs/dbraw/zinc/37/73/03/409377303.db2.gz KTLNKJASXGVUBB-UHFFFAOYSA-N 1 2 185.227 0.056 20 0 ACADLO CCc1noc(C[N@@H+](C)CCO)n1 49832230 409377306 /nfs/dbraw/zinc/37/73/06/409377306.db2.gz KTLNKJASXGVUBB-UHFFFAOYSA-N 1 2 185.227 0.056 20 0 ACADLO CCCC[N@H+](CC(C)=O)CC(N)=O 50145607 409377665 /nfs/dbraw/zinc/37/76/65/409377665.db2.gz XIGLUUBJCLEPLL-UHFFFAOYSA-N 1 2 186.255 0.163 20 0 ACADLO 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409387911 /nfs/dbraw/zinc/38/79/11/409387911.db2.gz SXCYJOJVJASZAN-SSDOTTSWSA-N 1 2 193.250 0.867 20 0 ACADLO CCNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 654371124 409388041 /nfs/dbraw/zinc/38/80/41/409388041.db2.gz JDYHLBSEWLXEQY-ZETCQYMHSA-N 1 2 181.239 0.724 20 0 ACADLO CCNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 654371124 409388045 /nfs/dbraw/zinc/38/80/45/409388045.db2.gz JDYHLBSEWLXEQY-ZETCQYMHSA-N 1 2 181.239 0.724 20 0 ACADLO CCNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 654371123 409388104 /nfs/dbraw/zinc/38/81/04/409388104.db2.gz JDYHLBSEWLXEQY-SSDOTTSWSA-N 1 2 181.239 0.724 20 0 ACADLO CCNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 654371123 409388108 /nfs/dbraw/zinc/38/81/08/409388108.db2.gz JDYHLBSEWLXEQY-SSDOTTSWSA-N 1 2 181.239 0.724 20 0 ACADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N(C)C 654444435 409391204 /nfs/dbraw/zinc/39/12/04/409391204.db2.gz USCJYKSAWLHYFU-ZETCQYMHSA-N 1 2 181.239 0.677 20 0 ACADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N(C)C 654444435 409391209 /nfs/dbraw/zinc/39/12/09/409391209.db2.gz USCJYKSAWLHYFU-ZETCQYMHSA-N 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ACADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCCF 655049024 409402212 /nfs/dbraw/zinc/40/22/12/409402212.db2.gz CHRYUCCZYRESGB-ZETCQYMHSA-N 1 2 199.229 0.674 20 0 ACADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCCF 655049024 409402217 /nfs/dbraw/zinc/40/22/17/409402217.db2.gz CHRYUCCZYRESGB-ZETCQYMHSA-N 1 2 199.229 0.674 20 0 ACADLO COC(=O)C[N@@H+]1CCSC[C@H]1C 69761140 409411382 /nfs/dbraw/zinc/41/13/82/409411382.db2.gz VMJGLOYDKRTVQC-SSDOTTSWSA-N 1 2 189.280 0.597 20 0 ACADLO COC(=O)C[N@@H+]1CCSC[C@@H]1C 69761141 409412259 /nfs/dbraw/zinc/41/22/59/409412259.db2.gz VMJGLOYDKRTVQC-ZETCQYMHSA-N 1 2 189.280 0.597 20 0 ACADLO COC(=O)C[N@H+]1CCSC[C@@H]1C 69761141 409412263 /nfs/dbraw/zinc/41/22/63/409412263.db2.gz VMJGLOYDKRTVQC-ZETCQYMHSA-N 1 2 189.280 0.597 20 0 ACADLO CCNC(=O)CCn1cc[nH+]c1 70162693 409418660 /nfs/dbraw/zinc/41/86/60/409418660.db2.gz XITBZTZPKHGVPF-UHFFFAOYSA-N 1 2 167.212 0.409 20 0 ACADLO CN(C)C(=O)CCn1cc[nH+]c1 70162692 409418820 /nfs/dbraw/zinc/41/88/20/409418820.db2.gz 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/nfs/dbraw/zinc/42/08/83/409420883.db2.gz REMUSWWSWGLDFL-UHFFFAOYSA-N 1 2 181.239 0.789 20 0 ACADLO O=C(NCCn1cc[nH+]c1)C1CC1 70225430 409421225 /nfs/dbraw/zinc/42/12/25/409421225.db2.gz WEEHOFDUKYLSHM-UHFFFAOYSA-N 1 2 179.223 0.409 20 0 ACADLO CC(C)C(=O)NCCn1cc[nH+]c1 70225428 409421341 /nfs/dbraw/zinc/42/13/41/409421341.db2.gz MFHLBJUMCOZUIW-UHFFFAOYSA-N 1 2 181.239 0.655 20 0 ACADLO CN(Cc1[nH+]ccn1C)C(=O)C1CC1 70224821 409421504 /nfs/dbraw/zinc/42/15/04/409421504.db2.gz VBNYDEWAIBEGHA-UHFFFAOYSA-N 1 2 193.250 0.789 20 0 ACADLO COCC(=O)N(C)Cc1[nH+]ccn1C 70224819 409421808 /nfs/dbraw/zinc/42/18/08/409421808.db2.gz ZMXZKZGJKGIXNM-UHFFFAOYSA-N 1 2 197.238 0.025 20 0 ACADLO CCOCC(=O)NCCn1cc[nH+]c1 70225810 409423096 /nfs/dbraw/zinc/42/30/96/409423096.db2.gz QXESKAKWQPBEGT-UHFFFAOYSA-N 1 2 197.238 0.036 20 0 ACADLO CCC(=O)N[C@H](C)Cn1cc[nH+]c1 70226697 409425132 /nfs/dbraw/zinc/42/51/32/409425132.db2.gz RACRDFHHKHXHDE-MRVPVSSYSA-N 1 2 181.239 0.798 20 0 ACADLO COCC(=O)N[C@@H](C)Cn1cc[nH+]c1 70226698 409425336 /nfs/dbraw/zinc/42/53/36/409425336.db2.gz JDTRQMJKDRWSSZ-QMMMGPOBSA-N 1 2 197.238 0.034 20 0 ACADLO COCC(=O)N[C@H](C)Cn1cc[nH+]c1 70226699 409425690 /nfs/dbraw/zinc/42/56/90/409425690.db2.gz JDTRQMJKDRWSSZ-MRVPVSSYSA-N 1 2 197.238 0.034 20 0 ACADLO CCC(=O)N[C@@H](C)Cn1cc[nH+]c1 70226696 409425756 /nfs/dbraw/zinc/42/57/56/409425756.db2.gz RACRDFHHKHXHDE-QMMMGPOBSA-N 1 2 181.239 0.798 20 0 ACADLO c1cn(Cc2cn(C3CC3)nn2)c[nH+]1 656456091 409432873 /nfs/dbraw/zinc/43/28/73/409432873.db2.gz YKHLAQLZPGEIRS-UHFFFAOYSA-N 1 2 189.222 0.858 20 0 ACADLO FCCn1cc(Cn2cc[nH+]c2)nn1 656455034 409433742 /nfs/dbraw/zinc/43/37/42/409433742.db2.gz WRTZUFCYTJEDOU-UHFFFAOYSA-N 1 2 195.201 0.492 20 0 ACADLO C[N@H+](CCO)Cc1cn(C2CC2)nn1 656455985 409434079 /nfs/dbraw/zinc/43/40/79/409434079.db2.gz RRKRLHXHJSQLOC-UHFFFAOYSA-N 1 2 196.254 0.037 20 0 ACADLO C[N@@H+](CCO)Cc1cn(C2CC2)nn1 656455985 409434085 /nfs/dbraw/zinc/43/40/85/409434085.db2.gz 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656657738 409445276 /nfs/dbraw/zinc/44/52/76/409445276.db2.gz LEWLVNBCMSJLOC-UHFFFAOYSA-N 1 2 195.266 0.641 20 0 ACADLO CCOC1CN(Cc2c[nH+]cn2C)C1 656657920 409445681 /nfs/dbraw/zinc/44/56/81/409445681.db2.gz MZFIXWAKUICIPN-UHFFFAOYSA-N 1 2 195.266 0.641 20 0 ACADLO O[C@@]1(C[NH+]2CC(F)C2)CCCOC1 656699350 409446867 /nfs/dbraw/zinc/44/68/67/409446867.db2.gz JQQAROLGFOYMGU-SECBINFHSA-N 1 2 189.230 0.182 20 0 ACADLO O[C@@]1(Cn2cc[nH+]c2)CCCOC1 656692143 409447223 /nfs/dbraw/zinc/44/72/23/409447223.db2.gz KPZPYJLZMYNUGM-SECBINFHSA-N 1 2 182.223 0.425 20 0 ACADLO O[C@]1(C[NH+]2CC(F)C2)CCCOC1 656699351 409447306 /nfs/dbraw/zinc/44/73/06/409447306.db2.gz JQQAROLGFOYMGU-VIFPVBQESA-N 1 2 189.230 0.182 20 0 ACADLO O[C@]1(Cn2cc[nH+]c2)CCCOC1 656692144 409447390 /nfs/dbraw/zinc/44/73/90/409447390.db2.gz KPZPYJLZMYNUGM-VIFPVBQESA-N 1 2 182.223 0.425 20 0 ACADLO CN(C)C(=O)N(C)Cc1c[nH+]c[nH]1 657028590 409455493 /nfs/dbraw/zinc/45/54/93/409455493.db2.gz WKOQPTGNDWKRES-UHFFFAOYSA-N 1 2 182.227 0.523 20 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CC(=O)C[N@@H+]1CCN(C)C[C@@H]1C(C)C 108345358 409461954 /nfs/dbraw/zinc/46/19/54/409461954.db2.gz MCTFKUCPSLDAPT-LLVKDONJSA-N 1 2 198.310 0.847 20 0 ACADLO CCC[N@H+](CCO)Cc1nncn1C 111364642 409462762 /nfs/dbraw/zinc/46/27/62/409462762.db2.gz SYDQRXSTPWHNDM-UHFFFAOYSA-N 1 2 198.270 0.019 20 0 ACADLO CCC[N@@H+](CCO)Cc1nncn1C 111364642 409462766 /nfs/dbraw/zinc/46/27/66/409462766.db2.gz SYDQRXSTPWHNDM-UHFFFAOYSA-N 1 2 198.270 0.019 20 0 ACADLO Cc1[nH+]ccn1CCc1c[nH]nn1 657255391 409462966 /nfs/dbraw/zinc/46/29/66/409462966.db2.gz LUFPLXFFDYDFQJ-UHFFFAOYSA-N 1 2 177.211 0.552 20 0 ACADLO CCC1=NN(CC[NH+](C)C)C(=O)[C@@H]1C 110454894 409463025 /nfs/dbraw/zinc/46/30/25/409463025.db2.gz XZFXESGFFAQBJK-MRVPVSSYSA-N 1 2 197.282 0.792 20 0 ACADLO CCc1[nH]n(CC[NH+](C)C)c(=O)c1C 110454894 409463027 /nfs/dbraw/zinc/46/30/27/409463027.db2.gz XZFXESGFFAQBJK-MRVPVSSYSA-N 1 2 197.282 0.792 20 0 ACADLO CC(C)(C)n1nnc(C[NH2+]C2CC2)n1 657285493 409465648 /nfs/dbraw/zinc/46/56/48/409465648.db2.gz HGBJKCLQXCLVGU-UHFFFAOYSA-N 1 2 195.270 0.680 20 0 ACADLO CCC(=O)N[C@H](C)c1[nH]cc[nH+]1 125359335 409469538 /nfs/dbraw/zinc/46/95/38/409469538.db2.gz OYYQQROMQJMMFD-ZCFIWIBFSA-N 1 2 167.212 0.997 20 0 ACADLO C[C@H](CO)N(C)c1cc(CO)cc[nH+]1 124591499 409469564 /nfs/dbraw/zinc/46/95/64/409469564.db2.gz CJVVDUDCDTVTGE-MRVPVSSYSA-N 1 2 196.250 0.391 20 0 ACADLO CC(=O)N[C@H](C)c1[nH]cc[nH+]1 125348587 409470469 /nfs/dbraw/zinc/47/04/69/409470469.db2.gz XYIIVIGAVDBLLU-RXMQYKEDSA-N 1 2 153.185 0.607 20 0 ACADLO COCC(=O)N[C@H](C)c1[nH]cc[nH+]1 125358462 409470497 /nfs/dbraw/zinc/47/04/97/409470497.db2.gz WPXCNMKKVIJRFQ-ZCFIWIBFSA-N 1 2 183.211 0.233 20 0 ACADLO CO[C@@H](C)C(=O)N[C@H](C)c1[nH]cc[nH+]1 125370721 409472998 /nfs/dbraw/zinc/47/29/98/409472998.db2.gz NFOKYBCFFQFATD-RQJHMYQMSA-N 1 2 197.238 0.622 20 0 ACADLO CO[C@H](C)C(=O)N[C@H](C)c1[nH]cc[nH+]1 125370264 409473024 /nfs/dbraw/zinc/47/30/24/409473024.db2.gz NFOKYBCFFQFATD-RNFRBKRXSA-N 1 2 197.238 0.622 20 0 ACADLO COCCC(=O)N[C@H](C)c1[nH]cc[nH+]1 125383793 409473074 /nfs/dbraw/zinc/47/30/74/409473074.db2.gz KFMLZPSPLXNHGL-SSDOTTSWSA-N 1 2 197.238 0.623 20 0 ACADLO CCOCC(=O)N[C@H](C)c1[nH]cc[nH+]1 125410205 409473258 /nfs/dbraw/zinc/47/32/58/409473258.db2.gz TVCNMWFRVVGMLD-SSDOTTSWSA-N 1 2 197.238 0.623 20 0 ACADLO C[C@@H](NC(=O)C1CC1)c1[nH]cc[nH+]1 125392701 409474092 /nfs/dbraw/zinc/47/40/92/409474092.db2.gz YUSKHOVRBUWXQW-ZCFIWIBFSA-N 1 2 179.223 0.997 20 0 ACADLO CO[C@@H]1COC[C@@H]1[NH2+]CC(F)F 657407828 409476511 /nfs/dbraw/zinc/47/65/11/409476511.db2.gz BHTREPNLQXFACI-NTSWFWBYSA-N 1 2 181.182 0.255 20 0 ACADLO COc1ccc[nH+]c1N1CC[C@@H](O)C1 130863091 409482537 /nfs/dbraw/zinc/48/25/37/409482537.db2.gz OCLFZGPUVZBFSN-MRVPVSSYSA-N 1 2 194.234 0.661 20 0 ACADLO OCC=CC[NH2+]Cc1ccn[nH]1 657592237 409483281 /nfs/dbraw/zinc/48/32/81/409483281.db2.gz GPFVQQZDOZZTIF-UPHRSURJSA-N 1 2 167.212 0.048 20 0 ACADLO OCC=CC[NH2+]Cc1ccn[nH]1 657592236 409483362 /nfs/dbraw/zinc/48/33/62/409483362.db2.gz GPFVQQZDOZZTIF-OWOJBTEDSA-N 1 2 167.212 0.048 20 0 ACADLO COc1ccc[nH+]c1N1CC[C@H](O)C1 130867125 409483755 /nfs/dbraw/zinc/48/37/55/409483755.db2.gz OCLFZGPUVZBFSN-QMMMGPOBSA-N 1 2 194.234 0.661 20 0 ACADLO C[C@H]([NH2+]Cc1ccn[nH]1)C1(CO)CC1 657602274 409484759 /nfs/dbraw/zinc/48/47/59/409484759.db2.gz IBSDJVUYQCQZCS-QMMMGPOBSA-N 1 2 195.266 0.660 20 0 ACADLO Cc1[nH]ncc1C[NH2+]C/C=C/CO 657593449 409485020 /nfs/dbraw/zinc/48/50/20/409485020.db2.gz UCAZWMYTMSTIFC-NSCUHMNNSA-N 1 2 181.239 0.356 20 0 ACADLO C[C@@H]([NH2+]Cc1ccn[nH]1)C1(CO)CC1 657602273 409485156 /nfs/dbraw/zinc/48/51/56/409485156.db2.gz IBSDJVUYQCQZCS-MRVPVSSYSA-N 1 2 195.266 0.660 20 0 ACADLO Cc1[nH]ncc1C[NH2+]C/C=C\CO 657593448 409485364 /nfs/dbraw/zinc/48/53/64/409485364.db2.gz UCAZWMYTMSTIFC-IHWYPQMZSA-N 1 2 181.239 0.356 20 0 ACADLO CO[C@@]1(C)C[C@H]1[NH2+]Cc1cn[nH]c1C 657788394 409493492 /nfs/dbraw/zinc/49/34/92/409493492.db2.gz OUTHWQBYILGVKF-ZJUUUORDSA-N 1 2 195.266 0.985 20 0 ACADLO CO[C@@]1(C)C[C@H]1[NH2+]Cc1ccn[nH]1 657788491 409494089 /nfs/dbraw/zinc/49/40/89/409494089.db2.gz QZGUBSZOTMXVHK-BDAKNGLRSA-N 1 2 181.239 0.677 20 0 ACADLO Cc1[nH]ncc1C[NH2+][C@H]1C[C@H](O)C1 657809258 409497709 /nfs/dbraw/zinc/49/77/09/409497709.db2.gz HMJSYFFGTMETKT-KYZUINATSA-N 1 2 181.239 0.331 20 0 ACADLO O[C@H]1C[C@H]([NH2+]Cc2ccn[nH]2)C1 657810241 409498003 /nfs/dbraw/zinc/49/80/03/409498003.db2.gz XDELJNDONFHONC-ZKCHVHJHSA-N 1 2 167.212 0.023 20 0 ACADLO Cc1[nH]ncc1[C@@H](C)[NH2+]C/C=C\CO 658137517 409509878 /nfs/dbraw/zinc/50/98/78/409509878.db2.gz ISOGVSKOGWZYEG-TUUFMJSCSA-N 1 2 195.266 0.917 20 0 ACADLO Cc1[nH]ncc1[C@H](C)[NH2+]C/C=C\CO 658137521 409509961 /nfs/dbraw/zinc/50/99/61/409509961.db2.gz ISOGVSKOGWZYEG-VEMNSZJBSA-N 1 2 195.266 0.917 20 0 ACADLO Cc1[nH]ncc1[C@@H](C)[NH2+]C/C=C/CO 658137509 409510024 /nfs/dbraw/zinc/51/00/24/409510024.db2.gz ISOGVSKOGWZYEG-MPJRPATESA-N 1 2 195.266 0.917 20 0 ACADLO Cc1[nH]ncc1[C@H](C)[NH2+]C/C=C/CO 658137512 409510090 /nfs/dbraw/zinc/51/00/90/409510090.db2.gz ISOGVSKOGWZYEG-RTMURIBGSA-N 1 2 195.266 0.917 20 0 ACADLO Cc1[nH]ncc1[C@@H](C)[NH2+][C@H]1C[C@H](O)C1 658351412 409520272 /nfs/dbraw/zinc/52/02/72/409520272.db2.gz VUHMMHPJVKGXHK-FTLITQJKSA-N 1 2 195.266 0.892 20 0 ACADLO Cc1[nH]ncc1[C@H](C)[NH2+][C@H]1C[C@H](O)C1 658351416 409520716 /nfs/dbraw/zinc/52/07/16/409520716.db2.gz VUHMMHPJVKGXHK-XVYDVKMFSA-N 1 2 195.266 0.892 20 0 ACADLO C[C@@H]1CN(Cc2cn(C)c[nH+]2)CCO1 659811010 409542811 /nfs/dbraw/zinc/54/28/11/409542811.db2.gz HFRVMWCQECQBTM-SECBINFHSA-N 1 2 195.266 0.641 20 0 ACADLO Cc1nnc(C[N@@H+]2CC[C@@](C)(O)C2)[nH]1 306207232 409544469 /nfs/dbraw/zinc/54/44/69/409544469.db2.gz IBNOYEICAIGYHB-SECBINFHSA-N 1 2 196.254 0.070 20 0 ACADLO Cc1nnc(C[N@H+]2CC[C@@](C)(O)C2)[nH]1 306207232 409544480 /nfs/dbraw/zinc/54/44/80/409544480.db2.gz IBNOYEICAIGYHB-SECBINFHSA-N 1 2 196.254 0.070 20 0 ACADLO C[C@H]1CN(Cc2cn(C)c[nH+]2)CCO1 659811011 409545459 /nfs/dbraw/zinc/54/54/59/409545459.db2.gz HFRVMWCQECQBTM-VIFPVBQESA-N 1 2 195.266 0.641 20 0 ACADLO Cc1nnc(C[N@@H+]2CC[C@](C)(O)C2)[nH]1 306207233 409545531 /nfs/dbraw/zinc/54/55/31/409545531.db2.gz IBNOYEICAIGYHB-VIFPVBQESA-N 1 2 196.254 0.070 20 0 ACADLO Cc1nnc(C[N@H+]2CC[C@](C)(O)C2)[nH]1 306207233 409545537 /nfs/dbraw/zinc/54/55/37/409545537.db2.gz IBNOYEICAIGYHB-VIFPVBQESA-N 1 2 196.254 0.070 20 0 ACADLO C[NH+]1CCN([C@@H]2COC(C)(C)C2)CC1 659831257 409546998 /nfs/dbraw/zinc/54/69/98/409546998.db2.gz GERJLTBOJVUMSI-JTQLQIEISA-N 1 2 198.310 0.801 20 0 ACADLO C[NH+]1CCN([C@H]2COC(C)(C)C2)CC1 659831258 409547969 /nfs/dbraw/zinc/54/79/69/409547969.db2.gz GERJLTBOJVUMSI-SNVBAGLBSA-N 1 2 198.310 0.801 20 0 ACADLO C[C@H]1COCC[N@H+]1Cc1cn[nH]c1 306263326 409551001 /nfs/dbraw/zinc/55/10/01/409551001.db2.gz YNLWJUMGGUDGEM-QMMMGPOBSA-N 1 2 181.239 0.630 20 0 ACADLO C[C@H]1COCC[N@@H+]1Cc1cn[nH]c1 306263326 409550993 /nfs/dbraw/zinc/55/09/93/409550993.db2.gz YNLWJUMGGUDGEM-QMMMGPOBSA-N 1 2 181.239 0.630 20 0 ACADLO c1nn[nH]c1CC[N@@H+]1CCCOCC1 659858559 409557312 /nfs/dbraw/zinc/55/73/12/409557312.db2.gz BJEOYYARJHWZOB-UHFFFAOYSA-N 1 2 196.254 0.070 20 0 ACADLO c1nn[nH]c1CC[N@H+]1CCCOCC1 659858559 409557318 /nfs/dbraw/zinc/55/73/18/409557318.db2.gz BJEOYYARJHWZOB-UHFFFAOYSA-N 1 2 196.254 0.070 20 0 ACADLO Cc1nnc(C[N@@H+]2CCC[C@H]2CO)[nH]1 306352495 409562453 /nfs/dbraw/zinc/56/24/53/409562453.db2.gz AIPKIWPHFXACSF-QMMMGPOBSA-N 1 2 196.254 0.070 20 0 ACADLO Cc1nnc(C[N@H+]2CCC[C@H]2CO)[nH]1 306352495 409562459 /nfs/dbraw/zinc/56/24/59/409562459.db2.gz AIPKIWPHFXACSF-QMMMGPOBSA-N 1 2 196.254 0.070 20 0 ACADLO Cc1[nH+]cn(CCc2c[nH]nn2)c1C 659924398 409563022 /nfs/dbraw/zinc/56/30/22/409563022.db2.gz JBJYJPICUJLVHI-UHFFFAOYSA-N 1 2 191.238 0.861 20 0 ACADLO C[N@H+](Cc1nnc[nH]1)[C@@H]1CCC[C@H]1O 659993371 409574212 /nfs/dbraw/zinc/57/42/12/409574212.db2.gz IHFACAOIQPILFW-HTQZYQBOSA-N 1 2 196.254 0.150 20 0 ACADLO CO[C@H]1CC[N@H+](CCc2cnn[nH]2)C1 659986464 409573246 /nfs/dbraw/zinc/57/32/46/409573246.db2.gz KZJTWYXDOKJSDQ-VIFPVBQESA-N 1 2 196.254 0.068 20 0 ACADLO CO[C@H]1CC[N@@H+](CCc2cnn[nH]2)C1 659986464 409573253 /nfs/dbraw/zinc/57/32/53/409573253.db2.gz KZJTWYXDOKJSDQ-VIFPVBQESA-N 1 2 196.254 0.068 20 0 ACADLO C[N@@H+](Cc1nnc[nH]1)[C@@H]1CCC[C@H]1O 659993371 409574220 /nfs/dbraw/zinc/57/42/20/409574220.db2.gz IHFACAOIQPILFW-HTQZYQBOSA-N 1 2 196.254 0.150 20 0 ACADLO COc1cc(Cn2cc[nH+]c2)on1 660023874 409577841 /nfs/dbraw/zinc/57/78/41/409577841.db2.gz XPUAKZGVEOAPKM-UHFFFAOYSA-N 1 2 179.179 0.928 20 0 ACADLO CCNC(=O)N[C@@H](C)c1[nH+]ccn1C 660099925 409580515 /nfs/dbraw/zinc/58/05/15/409580515.db2.gz JRPVRYXCQMWZEN-ZETCQYMHSA-N 1 2 196.254 0.800 20 0 ACADLO CCNC(=O)N[C@H](C)c1[nH+]ccn1C 660099923 409581647 /nfs/dbraw/zinc/58/16/47/409581647.db2.gz JRPVRYXCQMWZEN-SSDOTTSWSA-N 1 2 196.254 0.800 20 0 ACADLO CC[C@@H](O)C[N@H+](C)Cc1ncc[nH]1 660141363 409584173 /nfs/dbraw/zinc/58/41/73/409584173.db2.gz FFZOUHNKMCUYBL-MRVPVSSYSA-N 1 2 183.255 0.612 20 0 ACADLO CC[C@@H](O)C[N@@H+](C)Cc1ncc[nH]1 660141363 409584176 /nfs/dbraw/zinc/58/41/76/409584176.db2.gz FFZOUHNKMCUYBL-MRVPVSSYSA-N 1 2 183.255 0.612 20 0 ACADLO CN(Cc1cn[nH]n1)Cc1[nH]cc[nH+]1 660143656 409584354 /nfs/dbraw/zinc/58/43/54/409584354.db2.gz YTECPHRBGSPSAY-UHFFFAOYSA-N 1 2 192.226 0.160 20 0 ACADLO CC[C@H](O)C[N@H+](C)Cc1ncc[nH]1 660141366 409586399 /nfs/dbraw/zinc/58/63/99/409586399.db2.gz FFZOUHNKMCUYBL-QMMMGPOBSA-N 1 2 183.255 0.612 20 0 ACADLO CC[C@H](O)C[N@@H+](C)Cc1ncc[nH]1 660141366 409586408 /nfs/dbraw/zinc/58/64/08/409586408.db2.gz FFZOUHNKMCUYBL-QMMMGPOBSA-N 1 2 183.255 0.612 20 0 ACADLO C1=CC[N@H+](CCc2cnn[nH]2)CC1 660222268 409589118 /nfs/dbraw/zinc/58/91/18/409589118.db2.gz VRFDFUNSZWBTCE-UHFFFAOYSA-N 1 2 178.239 0.609 20 0 ACADLO C1=CC[N@@H+](CCc2cnn[nH]2)CC1 660222268 409589123 /nfs/dbraw/zinc/58/91/23/409589123.db2.gz VRFDFUNSZWBTCE-UHFFFAOYSA-N 1 2 178.239 0.609 20 0 ACADLO CN(Cc1c[nH+]c[nH]1)C(=O)NC1CC1 660206919 409589399 /nfs/dbraw/zinc/58/93/99/409589399.db2.gz STBCHLOHDORISA-UHFFFAOYSA-N 1 2 194.238 0.714 20 0 ACADLO CN(Cc1c[nH]c[nH+]1)C(=O)NC1CC1 660206919 409589404 /nfs/dbraw/zinc/58/94/04/409589404.db2.gz STBCHLOHDORISA-UHFFFAOYSA-N 1 2 194.238 0.714 20 0 ACADLO CC(C)NC(=O)N(C)Cc1c[nH+]c[nH]1 660203547 409590042 /nfs/dbraw/zinc/59/00/42/409590042.db2.gz DYFZHPONQYPTGZ-UHFFFAOYSA-N 1 2 196.254 0.960 20 0 ACADLO CC(C)NC(=O)N(C)Cc1c[nH]c[nH+]1 660203547 409590050 /nfs/dbraw/zinc/59/00/50/409590050.db2.gz DYFZHPONQYPTGZ-UHFFFAOYSA-N 1 2 196.254 0.960 20 0 ACADLO CCCNC(=O)N(C)Cc1c[nH+]c[nH]1 660248739 409592264 /nfs/dbraw/zinc/59/22/64/409592264.db2.gz TZOAKXFRVWEEHW-UHFFFAOYSA-N 1 2 196.254 0.961 20 0 ACADLO CCCNC(=O)N(C)Cc1c[nH]c[nH+]1 660248739 409592269 /nfs/dbraw/zinc/59/22/69/409592269.db2.gz TZOAKXFRVWEEHW-UHFFFAOYSA-N 1 2 196.254 0.961 20 0 ACADLO C[C@@H]1C[C@H](O)C[N@H+](CC(F)F)C1 306804696 409593147 /nfs/dbraw/zinc/59/31/47/409593147.db2.gz YLFARGRPXPCQJP-RQJHMYQMSA-N 1 2 179.210 0.954 20 0 ACADLO C[C@@H]1C[C@H](O)C[N@@H+](CC(F)F)C1 306804696 409593153 /nfs/dbraw/zinc/59/31/53/409593153.db2.gz YLFARGRPXPCQJP-RQJHMYQMSA-N 1 2 179.210 0.954 20 0 ACADLO C[C@H]1C[C@H](O)C[N@H+](CC(F)F)C1 306804693 409595249 /nfs/dbraw/zinc/59/52/49/409595249.db2.gz YLFARGRPXPCQJP-BQBZGAKWSA-N 1 2 179.210 0.954 20 0 ACADLO C[C@H]1C[C@H](O)C[N@@H+](CC(F)F)C1 306804693 409595256 /nfs/dbraw/zinc/59/52/56/409595256.db2.gz YLFARGRPXPCQJP-BQBZGAKWSA-N 1 2 179.210 0.954 20 0 ACADLO C[C@H]1C[C@@H](O)C[N@H+](CC(F)F)C1 306804694 409595423 /nfs/dbraw/zinc/59/54/23/409595423.db2.gz YLFARGRPXPCQJP-NKWVEPMBSA-N 1 2 179.210 0.954 20 0 ACADLO C[C@H]1C[C@@H](O)C[N@@H+](CC(F)F)C1 306804694 409595430 /nfs/dbraw/zinc/59/54/30/409595430.db2.gz YLFARGRPXPCQJP-NKWVEPMBSA-N 1 2 179.210 0.954 20 0 ACADLO C[C@@H]1C[C@@H](O)C[N@H+](CC(F)F)C1 306804695 409595998 /nfs/dbraw/zinc/59/59/98/409595998.db2.gz YLFARGRPXPCQJP-RNFRBKRXSA-N 1 2 179.210 0.954 20 0 ACADLO C[C@@H]1C[C@@H](O)C[N@@H+](CC(F)F)C1 306804695 409596005 /nfs/dbraw/zinc/59/60/05/409596005.db2.gz YLFARGRPXPCQJP-RNFRBKRXSA-N 1 2 179.210 0.954 20 0 ACADLO C[C@@H]1COCCN1Cc1cn(C)c[nH+]1 660423103 409600128 /nfs/dbraw/zinc/60/01/28/409600128.db2.gz MBOJQCLNSAIIEA-SECBINFHSA-N 1 2 195.266 0.641 20 0 ACADLO C[C@@H]1COCC[N@@H+]1CCc1c[nH]nn1 660423985 409602265 /nfs/dbraw/zinc/60/22/65/409602265.db2.gz YXGUXQXKKLFDEC-MRVPVSSYSA-N 1 2 196.254 0.068 20 0 ACADLO C[C@@H]1COCC[N@H+]1CCc1c[nH]nn1 660423985 409602267 /nfs/dbraw/zinc/60/22/67/409602267.db2.gz YXGUXQXKKLFDEC-MRVPVSSYSA-N 1 2 196.254 0.068 20 0 ACADLO C[C@@H]1COCC[N@@H+]1CCc1cn[nH]n1 660423985 409602270 /nfs/dbraw/zinc/60/22/70/409602270.db2.gz YXGUXQXKKLFDEC-MRVPVSSYSA-N 1 2 196.254 0.068 20 0 ACADLO C[C@@H]1COCC[N@H+]1CCc1cn[nH]n1 660423985 409602271 /nfs/dbraw/zinc/60/22/71/409602271.db2.gz YXGUXQXKKLFDEC-MRVPVSSYSA-N 1 2 196.254 0.068 20 0 ACADLO CC1=CCC[N@H+](CCc2cnn[nH]2)C1 660461463 409602442 /nfs/dbraw/zinc/60/24/42/409602442.db2.gz DDCJLNZRMXFMKC-UHFFFAOYSA-N 1 2 192.266 0.999 20 0 ACADLO CC1=CCC[N@@H+](CCc2cnn[nH]2)C1 660461463 409602445 /nfs/dbraw/zinc/60/24/45/409602445.db2.gz DDCJLNZRMXFMKC-UHFFFAOYSA-N 1 2 192.266 0.999 20 0 ACADLO C[C@@H](O)C[N@@H+]1CCn2cncc2C1 660581364 409604084 /nfs/dbraw/zinc/60/40/84/409604084.db2.gz BOLCRWKZWTVHKB-MRVPVSSYSA-N 1 2 181.239 0.080 20 0 ACADLO C[C@@H](O)C[N@H+]1CCn2cncc2C1 660581364 409604090 /nfs/dbraw/zinc/60/40/90/409604090.db2.gz BOLCRWKZWTVHKB-MRVPVSSYSA-N 1 2 181.239 0.080 20 0 ACADLO C[C@@H](O)CN1CCn2c[nH+]cc2C1 660581364 409604097 /nfs/dbraw/zinc/60/40/97/409604097.db2.gz BOLCRWKZWTVHKB-MRVPVSSYSA-N 1 2 181.239 0.080 20 0 ACADLO COC[C@H](C)[N@@H+]1CCn2cncc2C1 660578294 409604616 /nfs/dbraw/zinc/60/46/16/409604616.db2.gz OBVLJJOIJSJCEX-VIFPVBQESA-N 1 2 195.266 0.734 20 0 ACADLO COC[C@H](C)[N@H+]1CCn2cncc2C1 660578294 409604624 /nfs/dbraw/zinc/60/46/24/409604624.db2.gz OBVLJJOIJSJCEX-VIFPVBQESA-N 1 2 195.266 0.734 20 0 ACADLO COC[C@H](C)N1CCn2c[nH+]cc2C1 660578294 409604628 /nfs/dbraw/zinc/60/46/28/409604628.db2.gz OBVLJJOIJSJCEX-VIFPVBQESA-N 1 2 195.266 0.734 20 0 ACADLO C[C@H](O)C[N@@H+]1CCn2cncc2C1 660581365 409605224 /nfs/dbraw/zinc/60/52/24/409605224.db2.gz BOLCRWKZWTVHKB-QMMMGPOBSA-N 1 2 181.239 0.080 20 0 ACADLO C[C@H](O)C[N@H+]1CCn2cncc2C1 660581365 409605229 /nfs/dbraw/zinc/60/52/29/409605229.db2.gz BOLCRWKZWTVHKB-QMMMGPOBSA-N 1 2 181.239 0.080 20 0 ACADLO C[C@H](O)CN1CCn2c[nH+]cc2C1 660581365 409605234 /nfs/dbraw/zinc/60/52/34/409605234.db2.gz BOLCRWKZWTVHKB-QMMMGPOBSA-N 1 2 181.239 0.080 20 0 ACADLO FC(F)CN1CCn2c[nH+]cc2C1 660577130 409605373 /nfs/dbraw/zinc/60/53/73/409605373.db2.gz FMPRKNVWSJZAHJ-UHFFFAOYSA-N 1 2 187.193 0.964 20 0 ACADLO OCCCC[N@@H+]1CCn2cncc2C1 660577023 409605567 /nfs/dbraw/zinc/60/55/67/409605567.db2.gz DLVYMGUBYWNPQU-UHFFFAOYSA-N 1 2 195.266 0.471 20 0 ACADLO OCCCC[N@H+]1CCn2cncc2C1 660577023 409605571 /nfs/dbraw/zinc/60/55/71/409605571.db2.gz DLVYMGUBYWNPQU-UHFFFAOYSA-N 1 2 195.266 0.471 20 0 ACADLO OCCCCN1CCn2c[nH+]cc2C1 660577023 409605574 /nfs/dbraw/zinc/60/55/74/409605574.db2.gz DLVYMGUBYWNPQU-UHFFFAOYSA-N 1 2 195.266 0.471 20 0 ACADLO COC[C@@H](C)[N@@H+]1CCn2cncc2C1 660578292 409605598 /nfs/dbraw/zinc/60/55/98/409605598.db2.gz OBVLJJOIJSJCEX-SECBINFHSA-N 1 2 195.266 0.734 20 0 ACADLO COC[C@@H](C)[N@H+]1CCn2cncc2C1 660578292 409605600 /nfs/dbraw/zinc/60/56/00/409605600.db2.gz OBVLJJOIJSJCEX-SECBINFHSA-N 1 2 195.266 0.734 20 0 ACADLO COC[C@@H](C)N1CCn2c[nH+]cc2C1 660578292 409605604 /nfs/dbraw/zinc/60/56/04/409605604.db2.gz OBVLJJOIJSJCEX-SECBINFHSA-N 1 2 195.266 0.734 20 0 ACADLO CO[C@H](C)C[N@@H+]1CCn2cncc2C1 660582623 409607776 /nfs/dbraw/zinc/60/77/76/409607776.db2.gz XEZKSQOZMHRBLJ-SECBINFHSA-N 1 2 195.266 0.734 20 0 ACADLO CO[C@H](C)C[N@H+]1CCn2cncc2C1 660582623 409607781 /nfs/dbraw/zinc/60/77/81/409607781.db2.gz XEZKSQOZMHRBLJ-SECBINFHSA-N 1 2 195.266 0.734 20 0 ACADLO CO[C@H](C)CN1CCn2c[nH+]cc2C1 660582623 409607790 /nfs/dbraw/zinc/60/77/90/409607790.db2.gz XEZKSQOZMHRBLJ-SECBINFHSA-N 1 2 195.266 0.734 20 0 ACADLO CO[C@@H](C)C[N@@H+]1CCn2cncc2C1 660582624 409608518 /nfs/dbraw/zinc/60/85/18/409608518.db2.gz XEZKSQOZMHRBLJ-VIFPVBQESA-N 1 2 195.266 0.734 20 0 ACADLO CO[C@@H](C)C[N@H+]1CCn2cncc2C1 660582624 409608529 /nfs/dbraw/zinc/60/85/29/409608529.db2.gz XEZKSQOZMHRBLJ-VIFPVBQESA-N 1 2 195.266 0.734 20 0 ACADLO CO[C@@H](C)CN1CCn2c[nH+]cc2C1 660582624 409608536 /nfs/dbraw/zinc/60/85/36/409608536.db2.gz XEZKSQOZMHRBLJ-VIFPVBQESA-N 1 2 195.266 0.734 20 0 ACADLO C[N@H+](Cc1cc[nH]n1)C(C)(C)C(N)=O 660647454 409611983 /nfs/dbraw/zinc/61/19/83/409611983.db2.gz LQSLGRVWRWDBFF-UHFFFAOYSA-N 1 2 196.254 0.105 20 0 ACADLO C[N@@H+](Cc1cc[nH]n1)C(C)(C)C(N)=O 660647454 409611990 /nfs/dbraw/zinc/61/19/90/409611990.db2.gz LQSLGRVWRWDBFF-UHFFFAOYSA-N 1 2 196.254 0.105 20 0 ACADLO C[C@H]1COCC[N@@H+]1CCc1c[nH]nn1 660649137 409612608 /nfs/dbraw/zinc/61/26/08/409612608.db2.gz YXGUXQXKKLFDEC-QMMMGPOBSA-N 1 2 196.254 0.068 20 0 ACADLO C[C@H]1COCC[N@H+]1CCc1c[nH]nn1 660649137 409612616 /nfs/dbraw/zinc/61/26/16/409612616.db2.gz YXGUXQXKKLFDEC-QMMMGPOBSA-N 1 2 196.254 0.068 20 0 ACADLO C[C@H]1COCC[N@@H+]1CCc1cn[nH]n1 660649137 409612619 /nfs/dbraw/zinc/61/26/19/409612619.db2.gz YXGUXQXKKLFDEC-QMMMGPOBSA-N 1 2 196.254 0.068 20 0 ACADLO C[C@H]1COCC[N@H+]1CCc1cn[nH]n1 660649137 409612625 /nfs/dbraw/zinc/61/26/25/409612625.db2.gz YXGUXQXKKLFDEC-QMMMGPOBSA-N 1 2 196.254 0.068 20 0 ACADLO C[N@H+](Cc1cn[nH]c1)C(C)(C)C(N)=O 660646873 409612637 /nfs/dbraw/zinc/61/26/37/409612637.db2.gz GJZKGFKKGVUIRA-UHFFFAOYSA-N 1 2 196.254 0.105 20 0 ACADLO C[N@@H+](Cc1cn[nH]c1)C(C)(C)C(N)=O 660646873 409612641 /nfs/dbraw/zinc/61/26/41/409612641.db2.gz GJZKGFKKGVUIRA-UHFFFAOYSA-N 1 2 196.254 0.105 20 0 ACADLO CC[C@@H](Nc1cc[nH+]c(C)n1)C(N)=O 307081171 409613096 /nfs/dbraw/zinc/61/30/96/409613096.db2.gz STVPVBJATYYIGR-SSDOTTSWSA-N 1 2 194.238 0.461 20 0 ACADLO CCS(=O)(=O)C1C[NH+](C(C)C)C1 660733113 409616186 /nfs/dbraw/zinc/61/61/86/409616186.db2.gz LJUNVOYZKJXCGP-UHFFFAOYSA-N 1 2 191.296 0.514 20 0 ACADLO C[C@@H]1[C@H](O)CC[N@H+]1Cc1csnn1 660735992 409617398 /nfs/dbraw/zinc/61/73/98/409617398.db2.gz FPIXNRSWLIDNOF-HTRCEHHLSA-N 1 2 199.279 0.493 20 0 ACADLO C[C@@H]1[C@H](O)CC[N@@H+]1Cc1csnn1 660735992 409617393 /nfs/dbraw/zinc/61/73/93/409617393.db2.gz FPIXNRSWLIDNOF-HTRCEHHLSA-N 1 2 199.279 0.493 20 0 ACADLO CCC[NH+]1CC(S(=O)(=O)CC)C1 660732447 409617774 /nfs/dbraw/zinc/61/77/74/409617774.db2.gz ROBZBSMOQGXYQP-UHFFFAOYSA-N 1 2 191.296 0.515 20 0 ACADLO CC(C)C[N@H+](C)Cc1n[nH]c(=O)o1 660850798 409619613 /nfs/dbraw/zinc/61/96/13/409619613.db2.gz SJYGTSZDFBTQKK-UHFFFAOYSA-N 1 2 185.227 0.863 20 0 ACADLO CC(C)C[N@@H+](C)Cc1n[nH]c(=O)o1 660850798 409619619 /nfs/dbraw/zinc/61/96/19/409619619.db2.gz SJYGTSZDFBTQKK-UHFFFAOYSA-N 1 2 185.227 0.863 20 0 ACADLO CC(C)[N@H+](C)Cc1n[nH]c(=O)o1 660850988 409620071 /nfs/dbraw/zinc/62/00/71/409620071.db2.gz SNRWPBHLQRUPMA-UHFFFAOYSA-N 1 2 171.200 0.615 20 0 ACADLO CC(C)[N@@H+](C)Cc1n[nH]c(=O)o1 660850988 409620075 /nfs/dbraw/zinc/62/00/75/409620075.db2.gz SNRWPBHLQRUPMA-UHFFFAOYSA-N 1 2 171.200 0.615 20 0 ACADLO CC[N@H+](C)Cc1n[nH]c(=O)o1 660850669 409620809 /nfs/dbraw/zinc/62/08/09/409620809.db2.gz QKOZDLFCBRKZPH-UHFFFAOYSA-N 1 2 157.173 0.227 20 0 ACADLO CC[N@@H+](C)Cc1n[nH]c(=O)o1 660850669 409620816 /nfs/dbraw/zinc/62/08/16/409620816.db2.gz QKOZDLFCBRKZPH-UHFFFAOYSA-N 1 2 157.173 0.227 20 0 ACADLO C[N@@H+](CCCF)Cc1n[nH]c(=O)o1 660849285 409621274 /nfs/dbraw/zinc/62/12/74/409621274.db2.gz XANCHYDGLAHKDP-UHFFFAOYSA-N 1 2 189.190 0.567 20 0 ACADLO CCC[N@H+](C)Cc1n[nH]c(=O)o1 660849801 409621175 /nfs/dbraw/zinc/62/11/75/409621175.db2.gz GBRSFQLZORITKR-UHFFFAOYSA-N 1 2 171.200 0.617 20 0 ACADLO CCC[N@@H+](C)Cc1n[nH]c(=O)o1 660849801 409621182 /nfs/dbraw/zinc/62/11/82/409621182.db2.gz GBRSFQLZORITKR-UHFFFAOYSA-N 1 2 171.200 0.617 20 0 ACADLO C[N@H+](CCCF)Cc1n[nH]c(=O)o1 660849285 409621268 /nfs/dbraw/zinc/62/12/68/409621268.db2.gz XANCHYDGLAHKDP-UHFFFAOYSA-N 1 2 189.190 0.567 20 0 ACADLO C[N@@H+](Cc1n[nH]c(=O)o1)CC1CC1 660845791 409621841 /nfs/dbraw/zinc/62/18/41/409621841.db2.gz AIDPGUYRZAUOOJ-UHFFFAOYSA-N 1 2 183.211 0.617 20 0 ACADLO C[N@H+](Cc1n[nH]c(=O)o1)CC1CC1 660845791 409621852 /nfs/dbraw/zinc/62/18/52/409621852.db2.gz AIDPGUYRZAUOOJ-UHFFFAOYSA-N 1 2 183.211 0.617 20 0 ACADLO CC[C@H](C)[N@H+](CC)Cc1nnn(C)n1 661104343 409628326 /nfs/dbraw/zinc/62/83/26/409628326.db2.gz KSNHAUKQYVNJTH-QMMMGPOBSA-N 1 2 197.286 0.831 20 0 ACADLO CC[C@H](C)[N@@H+](CC)Cc1nnn(C)n1 661104343 409628333 /nfs/dbraw/zinc/62/83/33/409628333.db2.gz KSNHAUKQYVNJTH-QMMMGPOBSA-N 1 2 197.286 0.831 20 0 ACADLO CC[C@@H](C)[N@H+](CC)Cc1nnn(C)n1 661104341 409629192 /nfs/dbraw/zinc/62/91/92/409629192.db2.gz KSNHAUKQYVNJTH-MRVPVSSYSA-N 1 2 197.286 0.831 20 0 ACADLO CC[C@@H](C)[N@@H+](CC)Cc1nnn(C)n1 661104341 409629201 /nfs/dbraw/zinc/62/92/01/409629201.db2.gz KSNHAUKQYVNJTH-MRVPVSSYSA-N 1 2 197.286 0.831 20 0 ACADLO CC[C@@H](Nc1cc(C)[nH+]cn1)C(N)=O 307353772 409638894 /nfs/dbraw/zinc/63/88/94/409638894.db2.gz CYVXPVAICKLODI-SSDOTTSWSA-N 1 2 194.238 0.461 20 0 ACADLO Cn1cnc(NCc2c[nH+]cn2C)n1 307349789 409638918 /nfs/dbraw/zinc/63/89/18/409638918.db2.gz AGFFYLPQLSYPAM-UHFFFAOYSA-N 1 2 192.226 0.161 20 0 ACADLO CC[C@@H](O)C[N@H+](C)Cc1nnc(C)o1 661529003 409645951 /nfs/dbraw/zinc/64/59/51/409645951.db2.gz GXITXYRYSHDPGT-MRVPVSSYSA-N 1 2 199.254 0.581 20 0 ACADLO CC[C@@H](O)C[N@@H+](C)Cc1nnc(C)o1 661529003 409645954 /nfs/dbraw/zinc/64/59/54/409645954.db2.gz GXITXYRYSHDPGT-MRVPVSSYSA-N 1 2 199.254 0.581 20 0 ACADLO OCC[N@@H+]1CCC[C@@H]1C(F)F 307418565 409646101 /nfs/dbraw/zinc/64/61/01/409646101.db2.gz LCXMBUWMNNBZFA-ZCFIWIBFSA-N 1 2 165.183 0.708 20 0 ACADLO OCC[N@H+]1CCC[C@@H]1C(F)F 307418565 409646109 /nfs/dbraw/zinc/64/61/09/409646109.db2.gz LCXMBUWMNNBZFA-ZCFIWIBFSA-N 1 2 165.183 0.708 20 0 ACADLO CC[C@H](O)C[N@H+](C)Cc1nnc(C)o1 661529005 409646635 /nfs/dbraw/zinc/64/66/35/409646635.db2.gz GXITXYRYSHDPGT-QMMMGPOBSA-N 1 2 199.254 0.581 20 0 ACADLO CC[C@H](O)C[N@@H+](C)Cc1nnc(C)o1 661529005 409646642 /nfs/dbraw/zinc/64/66/42/409646642.db2.gz GXITXYRYSHDPGT-QMMMGPOBSA-N 1 2 199.254 0.581 20 0 ACADLO O=C1NCC[C@H]1CCn1cc[nH+]c1 307521873 409651962 /nfs/dbraw/zinc/65/19/62/409651962.db2.gz ZVSKSFDMYJMOLZ-QMMMGPOBSA-N 1 2 179.223 0.409 20 0 ACADLO O=C1NCC[C@@H]1CCn1cc[nH+]c1 307521864 409652157 /nfs/dbraw/zinc/65/21/57/409652157.db2.gz ZVSKSFDMYJMOLZ-MRVPVSSYSA-N 1 2 179.223 0.409 20 0 ACADLO O[C@@H]1CCC[N@H+](Cc2cnns2)C1 307535777 409653897 /nfs/dbraw/zinc/65/38/97/409653897.db2.gz IIJPKOBSPFMLAB-SSDOTTSWSA-N 1 2 199.279 0.495 20 0 ACADLO O[C@@H]1CCC[N@@H+](Cc2cnns2)C1 307535777 409653906 /nfs/dbraw/zinc/65/39/06/409653906.db2.gz IIJPKOBSPFMLAB-SSDOTTSWSA-N 1 2 199.279 0.495 20 0 ACADLO Cc1nnc(C[N@H+]2C[C@@H](O)C[C@H]2C)[nH]1 307603215 409657174 /nfs/dbraw/zinc/65/71/74/409657174.db2.gz ZDHHKLQSRZTDJL-SVRRBLITSA-N 1 2 196.254 0.068 20 0 ACADLO Cc1nnc(C[N@@H+]2C[C@@H](O)C[C@H]2C)[nH]1 307603215 409657180 /nfs/dbraw/zinc/65/71/80/409657180.db2.gz ZDHHKLQSRZTDJL-SVRRBLITSA-N 1 2 196.254 0.068 20 0 ACADLO CC[C@@H](O)C[N@@H+](C)Cc1cn(C)nn1 661744520 409658790 /nfs/dbraw/zinc/65/87/90/409658790.db2.gz VNBPWJNKXOKBEY-SECBINFHSA-N 1 2 198.270 0.018 20 0 ACADLO C[C@@H](CF)[NH2+]Cc1cc[nH]n1 307609906 409658707 /nfs/dbraw/zinc/65/87/07/409658707.db2.gz FVLZTYLXASRSMD-LURJTMIESA-N 1 2 157.192 0.857 20 0 ACADLO CC[C@@H](O)C[N@H+](C)Cc1cn(C)nn1 661744520 409658781 /nfs/dbraw/zinc/65/87/81/409658781.db2.gz VNBPWJNKXOKBEY-SECBINFHSA-N 1 2 198.270 0.018 20 0 ACADLO Cc1nnc(C[N@H+]2C[C@H](O)C[C@H]2C)[nH]1 307603213 409658850 /nfs/dbraw/zinc/65/88/50/409658850.db2.gz ZDHHKLQSRZTDJL-HTRCEHHLSA-N 1 2 196.254 0.068 20 0 ACADLO Cc1nnc(C[N@@H+]2C[C@H](O)C[C@H]2C)[nH]1 307603213 409658865 /nfs/dbraw/zinc/65/88/65/409658865.db2.gz ZDHHKLQSRZTDJL-HTRCEHHLSA-N 1 2 196.254 0.068 20 0 ACADLO Cc1nnc(C[N@H+]2C[C@@H](O)C[C@@H]2C)[nH]1 307603216 409659021 /nfs/dbraw/zinc/65/90/21/409659021.db2.gz ZDHHKLQSRZTDJL-XPUUQOCRSA-N 1 2 196.254 0.068 20 0 ACADLO Cc1nnc(C[N@@H+]2C[C@@H](O)C[C@@H]2C)[nH]1 307603216 409659028 /nfs/dbraw/zinc/65/90/28/409659028.db2.gz ZDHHKLQSRZTDJL-XPUUQOCRSA-N 1 2 196.254 0.068 20 0 ACADLO CC[C@H](O)C[N@H+](C)Cc1cn(C)nn1 661744521 409660321 /nfs/dbraw/zinc/66/03/21/409660321.db2.gz VNBPWJNKXOKBEY-VIFPVBQESA-N 1 2 198.270 0.018 20 0 ACADLO Cc1nnc(C[N@H+]2C[C@H](O)C[C@@H]2C)[nH]1 307603214 409660021 /nfs/dbraw/zinc/66/00/21/409660021.db2.gz ZDHHKLQSRZTDJL-POYBYMJQSA-N 1 2 196.254 0.068 20 0 ACADLO Cc1nnc(C[N@@H+]2C[C@H](O)C[C@@H]2C)[nH]1 307603214 409660033 /nfs/dbraw/zinc/66/00/33/409660033.db2.gz ZDHHKLQSRZTDJL-POYBYMJQSA-N 1 2 196.254 0.068 20 0 ACADLO Cn1cc(C[N@H+](C)CCCF)nn1 661747628 409660288 /nfs/dbraw/zinc/66/02/88/409660288.db2.gz SAOWKFNTDFCQGZ-UHFFFAOYSA-N 1 2 186.234 0.607 20 0 ACADLO Cn1cc(C[N@@H+](C)CCCF)nn1 661747628 409660292 /nfs/dbraw/zinc/66/02/92/409660292.db2.gz SAOWKFNTDFCQGZ-UHFFFAOYSA-N 1 2 186.234 0.607 20 0 ACADLO O[C@@]12CC[N@@H+](CC(F)F)C[C@@H]1C2 661716658 409660471 /nfs/dbraw/zinc/66/04/71/409660471.db2.gz ZMUPLGWQVGIMCM-POYBYMJQSA-N 1 2 177.194 0.708 20 0 ACADLO O[C@@]12CC[N@H+](CC(F)F)C[C@@H]1C2 661716658 409660478 /nfs/dbraw/zinc/66/04/78/409660478.db2.gz ZMUPLGWQVGIMCM-POYBYMJQSA-N 1 2 177.194 0.708 20 0 ACADLO C[C@@H](CF)[NH2+]Cc1ncc[nH]1 307630427 409662435 /nfs/dbraw/zinc/66/24/35/409662435.db2.gz WNVVOVAPBUHTHP-LURJTMIESA-N 1 2 157.192 0.857 20 0 ACADLO C[C@@H](CF)[NH2+]Cc1csnn1 307625917 409662990 /nfs/dbraw/zinc/66/29/90/409662990.db2.gz PSUXYRDDKCJQAD-YFKPBYRVSA-N 1 2 175.232 0.986 20 0 ACADLO Cc1nc(C[N@@H+]2CC[C@@H]3C[C@@H]3C2)n[nH]1 661966646 409672315 /nfs/dbraw/zinc/67/23/15/409672315.db2.gz KYMMZXCGYSNGMA-RKDXNWHRSA-N 1 2 192.266 0.955 20 0 ACADLO Cc1nc(C[N@H+]2CC[C@@H]3C[C@@H]3C2)n[nH]1 661966646 409672323 /nfs/dbraw/zinc/67/23/23/409672323.db2.gz KYMMZXCGYSNGMA-RKDXNWHRSA-N 1 2 192.266 0.955 20 0 ACADLO c1nn[nH]c1CC[N@@H+]1CC[C@H]2C[C@H]2C1 661966565 409672948 /nfs/dbraw/zinc/67/29/48/409672948.db2.gz JQJQCZCLARNWKZ-IUCAKERBSA-N 1 2 192.266 0.689 20 0 ACADLO c1nn[nH]c1CC[N@H+]1CC[C@H]2C[C@H]2C1 661966565 409672950 /nfs/dbraw/zinc/67/29/50/409672950.db2.gz JQJQCZCLARNWKZ-IUCAKERBSA-N 1 2 192.266 0.689 20 0 ACADLO c1nn[nH]c1CC[N@@H+]1CC[C@@H]2C[C@@H]2C1 661966566 409673197 /nfs/dbraw/zinc/67/31/97/409673197.db2.gz JQJQCZCLARNWKZ-RKDXNWHRSA-N 1 2 192.266 0.689 20 0 ACADLO c1nn[nH]c1CC[N@H+]1CC[C@@H]2C[C@@H]2C1 661966566 409673205 /nfs/dbraw/zinc/67/32/05/409673205.db2.gz JQJQCZCLARNWKZ-RKDXNWHRSA-N 1 2 192.266 0.689 20 0 ACADLO Cc1nc(C[N@@H+]2CC[C@H]3C[C@H]3C2)n[nH]1 661966645 409673375 /nfs/dbraw/zinc/67/33/75/409673375.db2.gz KYMMZXCGYSNGMA-IUCAKERBSA-N 1 2 192.266 0.955 20 0 ACADLO Cc1nc(C[N@H+]2CC[C@H]3C[C@H]3C2)n[nH]1 661966645 409673381 /nfs/dbraw/zinc/67/33/81/409673381.db2.gz KYMMZXCGYSNGMA-IUCAKERBSA-N 1 2 192.266 0.955 20 0 ACADLO O=c1[nH]nc(C[N@@H+]2CC[C@@H]3C[C@@H]3C2)[nH]1 661971749 409675979 /nfs/dbraw/zinc/67/59/79/409675979.db2.gz ODOHCNPYXNOBQM-RNFRBKRXSA-N 1 2 194.238 0.352 20 0 ACADLO O=c1[nH]nc(C[N@H+]2CC[C@@H]3C[C@@H]3C2)[nH]1 661971749 409675986 /nfs/dbraw/zinc/67/59/86/409675986.db2.gz ODOHCNPYXNOBQM-RNFRBKRXSA-N 1 2 194.238 0.352 20 0 ACADLO O=c1[nH]nc(C[N@@H+]2CC[C@H]3C[C@H]3C2)[nH]1 661971737 409676176 /nfs/dbraw/zinc/67/61/76/409676176.db2.gz ODOHCNPYXNOBQM-BQBZGAKWSA-N 1 2 194.238 0.352 20 0 ACADLO O=c1[nH]nc(C[N@H+]2CC[C@H]3C[C@H]3C2)[nH]1 661971737 409676182 /nfs/dbraw/zinc/67/61/82/409676182.db2.gz ODOHCNPYXNOBQM-BQBZGAKWSA-N 1 2 194.238 0.352 20 0 ACADLO C[C@@H](CF)[NH2+]Cc1cn(C)nn1 308045061 409680124 /nfs/dbraw/zinc/68/01/24/409680124.db2.gz OYXZPRNAJFXEMY-LURJTMIESA-N 1 2 172.207 0.263 20 0 ACADLO C[C@@H](CF)[NH2+]Cc1nccn1C 308029993 409680867 /nfs/dbraw/zinc/68/08/67/409680867.db2.gz IREYPTYWCQGSAS-ZETCQYMHSA-N 1 2 171.219 0.868 20 0 ACADLO FC(F)C[N@@H+]1CCC2(COC2)C1 662073973 409686201 /nfs/dbraw/zinc/68/62/01/409686201.db2.gz XSMDTUXFZABQIB-UHFFFAOYSA-N 1 2 177.194 0.974 20 0 ACADLO FC(F)C[N@H+]1CCC2(COC2)C1 662073973 409686209 /nfs/dbraw/zinc/68/62/09/409686209.db2.gz XSMDTUXFZABQIB-UHFFFAOYSA-N 1 2 177.194 0.974 20 0 ACADLO C[C@@H](O)C[N@H+](C)Cc1csnn1 308137185 409686851 /nfs/dbraw/zinc/68/68/51/409686851.db2.gz FBZBLWBNUBKYAZ-ZCFIWIBFSA-N 1 2 187.268 0.351 20 0 ACADLO C[C@@H](O)C[N@@H+](C)Cc1csnn1 308137185 409686862 /nfs/dbraw/zinc/68/68/62/409686862.db2.gz FBZBLWBNUBKYAZ-ZCFIWIBFSA-N 1 2 187.268 0.351 20 0 ACADLO C[C@@H](O)C[N@H+](C)Cc1ncc[nH]1 308165021 409691418 /nfs/dbraw/zinc/69/14/18/409691418.db2.gz UKVHPWDEGXRHIY-SSDOTTSWSA-N 1 2 169.228 0.222 20 0 ACADLO C[C@@H](O)C[N@@H+](C)Cc1ncc[nH]1 308165021 409691424 /nfs/dbraw/zinc/69/14/24/409691424.db2.gz UKVHPWDEGXRHIY-SSDOTTSWSA-N 1 2 169.228 0.222 20 0 ACADLO C[C@H](O)C[N@H+](C)Cc1ncc[nH]1 308165023 409691461 /nfs/dbraw/zinc/69/14/61/409691461.db2.gz UKVHPWDEGXRHIY-ZETCQYMHSA-N 1 2 169.228 0.222 20 0 ACADLO C[C@H](O)C[N@@H+](C)Cc1ncc[nH]1 308165023 409691465 /nfs/dbraw/zinc/69/14/65/409691465.db2.gz UKVHPWDEGXRHIY-ZETCQYMHSA-N 1 2 169.228 0.222 20 0 ACADLO Cc1[nH]ncc1C[N@@H+](C)C[C@@H](C)O 308277399 409705944 /nfs/dbraw/zinc/70/59/44/409705944.db2.gz VQDUKOGEEVPYEM-SSDOTTSWSA-N 1 2 183.255 0.531 20 0 ACADLO Cc1[nH]ncc1C[N@H+](C)C[C@@H](C)O 308277399 409705953 /nfs/dbraw/zinc/70/59/53/409705953.db2.gz VQDUKOGEEVPYEM-SSDOTTSWSA-N 1 2 183.255 0.531 20 0 ACADLO Cc1[nH]ncc1C[N@@H+](C)C[C@H](C)O 308277405 409706761 /nfs/dbraw/zinc/70/67/61/409706761.db2.gz VQDUKOGEEVPYEM-ZETCQYMHSA-N 1 2 183.255 0.531 20 0 ACADLO Cc1[nH]ncc1C[N@H+](C)C[C@H](C)O 308277405 409706769 /nfs/dbraw/zinc/70/67/69/409706769.db2.gz VQDUKOGEEVPYEM-ZETCQYMHSA-N 1 2 183.255 0.531 20 0 ACADLO C[C@H](CF)NC(=O)Cn1cc[nH+]c1 308325145 409712013 /nfs/dbraw/zinc/71/20/13/409712013.db2.gz FHZKRHWYRPMXOX-SSDOTTSWSA-N 1 2 185.202 0.357 20 0 ACADLO C[C@@H](CF)NC(=O)Cn1cc[nH+]c1 308325146 409712120 /nfs/dbraw/zinc/71/21/20/409712120.db2.gz FHZKRHWYRPMXOX-ZETCQYMHSA-N 1 2 185.202 0.357 20 0 ACADLO Cc1nnc(C[N@@H+](C)CC[C@H](C)O)[nH]1 308587157 409736316 /nfs/dbraw/zinc/73/63/16/409736316.db2.gz SOLPJUDHHCWUHO-ZETCQYMHSA-N 1 2 198.270 0.316 20 0 ACADLO Cc1nnc(C[N@H+](C)CC[C@H](C)O)[nH]1 308587157 409736320 /nfs/dbraw/zinc/73/63/20/409736320.db2.gz SOLPJUDHHCWUHO-ZETCQYMHSA-N 1 2 198.270 0.316 20 0 ACADLO Cc1nnc(C[N@@H+](C)CC[C@@H](C)O)[nH]1 308587156 409737791 /nfs/dbraw/zinc/73/77/91/409737791.db2.gz SOLPJUDHHCWUHO-SSDOTTSWSA-N 1 2 198.270 0.316 20 0 ACADLO Cc1nnc(C[N@H+](C)CC[C@@H](C)O)[nH]1 308587156 409737796 /nfs/dbraw/zinc/73/77/96/409737796.db2.gz SOLPJUDHHCWUHO-SSDOTTSWSA-N 1 2 198.270 0.316 20 0 ACADLO Cc1nnc(C[N@@H+](CCO)C(C)C)[nH]1 308561085 409738005 /nfs/dbraw/zinc/73/80/05/409738005.db2.gz FILQNBQMAQEQCE-UHFFFAOYSA-N 1 2 198.270 0.316 20 0 ACADLO Cc1nnc(C[N@H+](CCO)C(C)C)[nH]1 308561085 409738007 /nfs/dbraw/zinc/73/80/07/409738007.db2.gz FILQNBQMAQEQCE-UHFFFAOYSA-N 1 2 198.270 0.316 20 0 ACADLO CC[N@H+](CCCO)Cc1nnc(C)[nH]1 308594539 409739180 /nfs/dbraw/zinc/73/91/80/409739180.db2.gz XPMMGFMPSIFOKM-UHFFFAOYSA-N 1 2 198.270 0.317 20 0 ACADLO CC[N@@H+](CCCO)Cc1nnc(C)[nH]1 308594539 409739184 /nfs/dbraw/zinc/73/91/84/409739184.db2.gz XPMMGFMPSIFOKM-UHFFFAOYSA-N 1 2 198.270 0.317 20 0 ACADLO Cc1c[nH]nc1C[NH2+]C[C@H](C)N(C)C 308650652 409747396 /nfs/dbraw/zinc/74/73/96/409747396.db2.gz KGBCBWFYGGLSEM-VIFPVBQESA-N 1 2 196.298 0.758 20 0 ACADLO FCCOCC[NH2+]Cc1ccn[nH]1 663340500 409778061 /nfs/dbraw/zinc/77/80/61/409778061.db2.gz OYUWJVVPOINNNB-UHFFFAOYSA-N 1 2 187.218 0.485 20 0 ACADLO CN(Cc1[nH]cc[nH+]1)c1ncnn1C 663618963 409792145 /nfs/dbraw/zinc/79/21/45/409792145.db2.gz WYHCTICRJMMJOY-UHFFFAOYSA-N 1 2 192.226 0.175 20 0 ACADLO C[C@@H]1COCCN1Cc1[nH+]ccn1C 336184005 409795907 /nfs/dbraw/zinc/79/59/07/409795907.db2.gz RBBMAIJNZKIBMG-SECBINFHSA-N 1 2 195.266 0.641 20 0 ACADLO Cc1cc(N2CC[C@@H](O)[C@H]2C)nc[nH+]1 663978685 409803994 /nfs/dbraw/zinc/80/39/94/409803994.db2.gz FTLOWZZQHNMCDD-RKDXNWHRSA-N 1 2 193.250 0.745 20 0 ACADLO CCc1ncn(Cc2c[nH+]cn2C)n1 664040533 409805688 /nfs/dbraw/zinc/80/56/88/409805688.db2.gz KEDHZPKJIKAUQJ-UHFFFAOYSA-N 1 2 191.238 0.622 20 0 ACADLO Cc1ncn(Cc2c[nH+]cn2C)n1 664082930 409814602 /nfs/dbraw/zinc/81/46/02/409814602.db2.gz ROOHVJWXRANFJS-UHFFFAOYSA-N 1 2 177.211 0.368 20 0 ACADLO CC[C@H](CO)[N@@H+](C)Cc1nnc(C)o1 379053860 409815086 /nfs/dbraw/zinc/81/50/86/409815086.db2.gz LPDVCBPMFPKUCJ-MRVPVSSYSA-N 1 2 199.254 0.581 20 0 ACADLO CC[C@@H](CO)N(C)c1cc[nH+]c(C)n1 379055306 409814830 /nfs/dbraw/zinc/81/48/30/409814830.db2.gz MUFAKCHRXCDTND-VIFPVBQESA-N 1 2 195.266 0.992 20 0 ACADLO CC[C@H](CO)N(C)c1cc[nH+]c(C)n1 379055305 409815040 /nfs/dbraw/zinc/81/50/40/409815040.db2.gz MUFAKCHRXCDTND-SECBINFHSA-N 1 2 195.266 0.992 20 0 ACADLO CC[C@H](CO)[N@H+](C)Cc1nnc(C)o1 379053860 409815080 /nfs/dbraw/zinc/81/50/80/409815080.db2.gz LPDVCBPMFPKUCJ-MRVPVSSYSA-N 1 2 199.254 0.581 20 0 ACADLO CC[C@@H](CO)[N@H+](C)Cc1nnc(C)o1 379053861 409815174 /nfs/dbraw/zinc/81/51/74/409815174.db2.gz LPDVCBPMFPKUCJ-QMMMGPOBSA-N 1 2 199.254 0.581 20 0 ACADLO CC[C@@H](CO)[N@@H+](C)Cc1nnc(C)o1 379053861 409815181 /nfs/dbraw/zinc/81/51/81/409815181.db2.gz LPDVCBPMFPKUCJ-QMMMGPOBSA-N 1 2 199.254 0.581 20 0 ACADLO CC[C@@H](CO)[N@H+](C)Cc1noc(C)n1 379061987 409815766 /nfs/dbraw/zinc/81/57/66/409815766.db2.gz RZLKPIHEVKGROK-QMMMGPOBSA-N 1 2 199.254 0.581 20 0 ACADLO CC[C@@H](CO)[N@@H+](C)Cc1noc(C)n1 379061987 409815775 /nfs/dbraw/zinc/81/57/75/409815775.db2.gz RZLKPIHEVKGROK-QMMMGPOBSA-N 1 2 199.254 0.581 20 0 ACADLO CC[C@H](CO)[N@H+](C)Cc1noc(C)n1 379061985 409816082 /nfs/dbraw/zinc/81/60/82/409816082.db2.gz RZLKPIHEVKGROK-MRVPVSSYSA-N 1 2 199.254 0.581 20 0 ACADLO CC[C@H](CO)[N@@H+](C)Cc1noc(C)n1 379061985 409816090 /nfs/dbraw/zinc/81/60/90/409816090.db2.gz RZLKPIHEVKGROK-MRVPVSSYSA-N 1 2 199.254 0.581 20 0 ACADLO CC[N@H+](CC(F)F)[C@H](C)CO 378975038 409816558 /nfs/dbraw/zinc/81/65/58/409816558.db2.gz NBGWOMNZGXHCFQ-ZCFIWIBFSA-N 1 2 167.199 0.954 20 0 ACADLO CC[N@@H+](CC(F)F)[C@H](C)CO 378975038 409816562 /nfs/dbraw/zinc/81/65/62/409816562.db2.gz NBGWOMNZGXHCFQ-ZCFIWIBFSA-N 1 2 167.199 0.954 20 0 ACADLO CC[C@@H](CO)[N@H+](C)Cc1nncn1C 379155408 409818369 /nfs/dbraw/zinc/81/83/69/409818369.db2.gz KEAGZEJJGAWBNV-QMMMGPOBSA-N 1 2 198.270 0.018 20 0 ACADLO CC[C@@H](CO)[N@@H+](C)Cc1nncn1C 379155408 409818372 /nfs/dbraw/zinc/81/83/72/409818372.db2.gz KEAGZEJJGAWBNV-QMMMGPOBSA-N 1 2 198.270 0.018 20 0 ACADLO CC[C@H](CO)[N@H+](C)Cc1nncn1C 379155404 409818483 /nfs/dbraw/zinc/81/84/83/409818483.db2.gz KEAGZEJJGAWBNV-MRVPVSSYSA-N 1 2 198.270 0.018 20 0 ACADLO CC[C@H](CO)[N@@H+](C)Cc1nncn1C 379155404 409818488 /nfs/dbraw/zinc/81/84/88/409818488.db2.gz KEAGZEJJGAWBNV-MRVPVSSYSA-N 1 2 198.270 0.018 20 0 ACADLO Cc1cc(NC/C=C\CO)nc[nH+]1 664236786 409821881 /nfs/dbraw/zinc/82/18/81/409821881.db2.gz OTRFCNQNIYOSQK-IHWYPQMZSA-N 1 2 179.223 0.745 20 0 ACADLO Cc1nc(NC/C=C/CO)cc[nH+]1 664234252 409822055 /nfs/dbraw/zinc/82/20/55/409822055.db2.gz CDNTTWVCJCBXAP-NSCUHMNNSA-N 1 2 179.223 0.745 20 0 ACADLO C[C@@H](CF)[NH2+]Cc1ccn(C)n1 379316764 409822068 /nfs/dbraw/zinc/82/20/68/409822068.db2.gz BQQQYWOECLDTBN-ZETCQYMHSA-N 1 2 171.219 0.868 20 0 ACADLO CCc1cc(NC/C=C\CO)nc[nH+]1 664235391 409822749 /nfs/dbraw/zinc/82/27/49/409822749.db2.gz HVUJIVYXVPIHSL-ARJAWSKDSA-N 1 2 193.250 0.999 20 0 ACADLO CCc1cc(NC/C=C/CO)nc[nH+]1 664235392 409822898 /nfs/dbraw/zinc/82/28/98/409822898.db2.gz HVUJIVYXVPIHSL-ONEGZZNKSA-N 1 2 193.250 0.999 20 0 ACADLO Cc1cc(NC/C=C/CO)nc[nH+]1 664236787 409823061 /nfs/dbraw/zinc/82/30/61/409823061.db2.gz OTRFCNQNIYOSQK-NSCUHMNNSA-N 1 2 179.223 0.745 20 0 ACADLO Cc1nc(NC/C=C\CO)cc[nH+]1 664234250 409823739 /nfs/dbraw/zinc/82/37/39/409823739.db2.gz CDNTTWVCJCBXAP-IHWYPQMZSA-N 1 2 179.223 0.745 20 0 ACADLO CCn1ncnc1C[NH2+]CCF 379335129 409829927 /nfs/dbraw/zinc/82/99/27/409829927.db2.gz RQPWPQUJSSMHAD-UHFFFAOYSA-N 1 2 172.207 0.357 20 0 ACADLO CC(C)([NH3+])C[NH2+]CCn1cc[nH+]c1 379342302 409830202 /nfs/dbraw/zinc/83/02/02/409830202.db2.gz DCEBMNCZUMJDSY-UHFFFAOYSA-N 1 2 182.271 0.210 20 0 ACADLO Cc1nc(N[C@H]2C[C@H](O)C2)cc[nH+]1 664644326 409830461 /nfs/dbraw/zinc/83/04/61/409830461.db2.gz MPBGXKHFMOMGFX-ZKCHVHJHSA-N 1 2 179.223 0.720 20 0 ACADLO CCc1cc(N[C@H]2C[C@H](O)C2)nc[nH+]1 664644327 409830670 /nfs/dbraw/zinc/83/06/70/409830670.db2.gz MPXAMUVMSGOAOK-KYZUINATSA-N 1 2 193.250 0.974 20 0 ACADLO Cc1cc(N[C@H]2C[C@H](O)C2)nc[nH+]1 664642360 409831771 /nfs/dbraw/zinc/83/17/71/409831771.db2.gz HTMUXPPDFLYHFA-ZKCHVHJHSA-N 1 2 179.223 0.720 20 0 ACADLO CCN(C)c1noc(C[NH+](C)C)n1 664944538 409834144 /nfs/dbraw/zinc/83/41/44/409834144.db2.gz HDMIQBAUOBZNSB-UHFFFAOYSA-N 1 2 184.243 0.587 20 0 ACADLO COCC[NH2+][C@@H](C)c1nc(C)no1 379411016 409842752 /nfs/dbraw/zinc/84/27/52/409842752.db2.gz HGTQDUBTGPYSFE-LURJTMIESA-N 1 2 185.227 0.675 20 0 ACADLO COCC[NH2+][C@H](C)c1nc(C)no1 379411017 409844015 /nfs/dbraw/zinc/84/40/15/409844015.db2.gz HGTQDUBTGPYSFE-ZCFIWIBFSA-N 1 2 185.227 0.675 20 0 ACADLO CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C 665114334 409844532 /nfs/dbraw/zinc/84/45/32/409844532.db2.gz ZLZCFDBUIMRHNT-HTQZYQBOSA-N 1 2 193.250 0.660 20 0 ACADLO COCCn1cc(-c2c[nH]c[nH+]2)cn1 665226560 409851970 /nfs/dbraw/zinc/85/19/70/409851970.db2.gz GYBQHDJPLIAQAY-UHFFFAOYSA-N 1 2 192.222 0.920 20 0 ACADLO COCCn1cc(-c2[nH]cc[nH+]2)cn1 665226867 409852021 /nfs/dbraw/zinc/85/20/21/409852021.db2.gz RXOUBCRIMUZTTQ-UHFFFAOYSA-N 1 2 192.222 0.920 20 0 ACADLO Cc1nnc(C[N@@H+](C)C(C)(C)CO)[nH]1 379622081 409859720 /nfs/dbraw/zinc/85/97/20/409859720.db2.gz GQBYSCDKFNKMGB-UHFFFAOYSA-N 1 2 198.270 0.316 20 0 ACADLO Cc1nnc(C[N@H+](C)C(C)(C)CO)[nH]1 379622081 409859727 /nfs/dbraw/zinc/85/97/27/409859727.db2.gz GQBYSCDKFNKMGB-UHFFFAOYSA-N 1 2 198.270 0.316 20 0 ACADLO Cc1nnc(C[N@H+](CCO)C2CC2)[nH]1 379622402 409860933 /nfs/dbraw/zinc/86/09/33/409860933.db2.gz GQIYCSSLVOSRLV-UHFFFAOYSA-N 1 2 196.254 0.070 20 0 ACADLO Cc1nnc(C[N@@H+](CCO)C2CC2)[nH]1 379622402 409860941 /nfs/dbraw/zinc/86/09/41/409860941.db2.gz GQIYCSSLVOSRLV-UHFFFAOYSA-N 1 2 196.254 0.070 20 0 ACADLO CC[C@H](CO)[N@H+](C)Cc1ncnn1C 382125277 409890206 /nfs/dbraw/zinc/89/02/06/409890206.db2.gz VBCZMFXLKMWZSW-MRVPVSSYSA-N 1 2 198.270 0.018 20 0 ACADLO CC[C@H](CO)[N@@H+](C)Cc1ncnn1C 382125277 409890216 /nfs/dbraw/zinc/89/02/16/409890216.db2.gz VBCZMFXLKMWZSW-MRVPVSSYSA-N 1 2 198.270 0.018 20 0 ACADLO CC[C@@H](CO)[N@H+](C)Cc1ncnn1C 382125284 409891471 /nfs/dbraw/zinc/89/14/71/409891471.db2.gz VBCZMFXLKMWZSW-QMMMGPOBSA-N 1 2 198.270 0.018 20 0 ACADLO CC[C@@H](CO)[N@@H+](C)Cc1ncnn1C 382125284 409891475 /nfs/dbraw/zinc/89/14/75/409891475.db2.gz VBCZMFXLKMWZSW-QMMMGPOBSA-N 1 2 198.270 0.018 20 0 ACADLO CC[C@@H](CO)[N@H+](C)CC(F)F 382227225 409895828 /nfs/dbraw/zinc/89/58/28/409895828.db2.gz MKPUCSVHCJJVEY-LURJTMIESA-N 1 2 167.199 0.954 20 0 ACADLO CC[C@@H](CO)[N@@H+](C)CC(F)F 382227225 409895832 /nfs/dbraw/zinc/89/58/32/409895832.db2.gz MKPUCSVHCJJVEY-LURJTMIESA-N 1 2 167.199 0.954 20 0 ACADLO CC[C@H](CO)[N@H+](C)CC(F)F 382227226 409898674 /nfs/dbraw/zinc/89/86/74/409898674.db2.gz MKPUCSVHCJJVEY-ZCFIWIBFSA-N 1 2 167.199 0.954 20 0 ACADLO CC[C@H](CO)[N@@H+](C)CC(F)F 382227226 409898681 /nfs/dbraw/zinc/89/86/81/409898681.db2.gz MKPUCSVHCJJVEY-ZCFIWIBFSA-N 1 2 167.199 0.954 20 0 ACADLO CC[N@H+](CC(F)F)[C@@H](C)CO 386415990 409938921 /nfs/dbraw/zinc/93/89/21/409938921.db2.gz NBGWOMNZGXHCFQ-LURJTMIESA-N 1 2 167.199 0.954 20 0 ACADLO CC[N@@H+](CC(F)F)[C@@H](C)CO 386415990 409938922 /nfs/dbraw/zinc/93/89/22/409938922.db2.gz NBGWOMNZGXHCFQ-LURJTMIESA-N 1 2 167.199 0.954 20 0 ACADLO Cc1ccoc1C[N@@H+](C)[C@@H](C)C(N)=O 389217179 409964885 /nfs/dbraw/zinc/96/48/85/409964885.db2.gz LABWEGWITRJRFO-QMMMGPOBSA-N 1 2 196.250 0.894 20 0 ACADLO Cc1ccoc1C[N@H+](C)[C@@H](C)C(N)=O 389217179 409964890 /nfs/dbraw/zinc/96/48/90/409964890.db2.gz LABWEGWITRJRFO-QMMMGPOBSA-N 1 2 196.250 0.894 20 0 ACADLO CCC[N@H+](CCO)Cc1nnc(C)[nH]1 389202056 409966170 /nfs/dbraw/zinc/96/61/70/409966170.db2.gz DWPQBJSWBFSILV-UHFFFAOYSA-N 1 2 198.270 0.317 20 0 ACADLO CCC[N@@H+](CCO)Cc1nnc(C)[nH]1 389202056 409966181 /nfs/dbraw/zinc/96/61/81/409966181.db2.gz DWPQBJSWBFSILV-UHFFFAOYSA-N 1 2 198.270 0.317 20 0 ACADLO Cc1ccoc1C[N@@H+](C)[C@H](C)C(N)=O 389217177 409967033 /nfs/dbraw/zinc/96/70/33/409967033.db2.gz LABWEGWITRJRFO-MRVPVSSYSA-N 1 2 196.250 0.894 20 0 ACADLO Cc1ccoc1C[N@H+](C)[C@H](C)C(N)=O 389217177 409967039 /nfs/dbraw/zinc/96/70/39/409967039.db2.gz LABWEGWITRJRFO-MRVPVSSYSA-N 1 2 196.250 0.894 20 0 ACADLO CC[C@H](CO)[N@@H+](C)Cc1nc(C)no1 393332561 409980952 /nfs/dbraw/zinc/98/09/52/409980952.db2.gz TUWNPCASWPNDDD-MRVPVSSYSA-N 1 2 199.254 0.581 20 0 ACADLO CC[C@H](CO)[N@H+](C)Cc1nc(C)no1 393332561 409980945 /nfs/dbraw/zinc/98/09/45/409980945.db2.gz TUWNPCASWPNDDD-MRVPVSSYSA-N 1 2 199.254 0.581 20 0 ACADLO CC[C@@H](CO)[N@H+](C)Cc1nc(C)no1 393332563 409981859 /nfs/dbraw/zinc/98/18/59/409981859.db2.gz TUWNPCASWPNDDD-QMMMGPOBSA-N 1 2 199.254 0.581 20 0 ACADLO CC[C@@H](CO)[N@@H+](C)Cc1nc(C)no1 393332563 409981865 /nfs/dbraw/zinc/98/18/65/409981865.db2.gz TUWNPCASWPNDDD-QMMMGPOBSA-N 1 2 199.254 0.581 20 0 ACADLO CC[C@@H](CO)N(C)c1cc(C)[nH+]cn1 393949797 409995470 /nfs/dbraw/zinc/99/54/70/409995470.db2.gz WIUOPNGIXICIAA-VIFPVBQESA-N 1 2 195.266 0.992 20 0 ACADLO CO[C@@H](C[NH2+]Cc1ccn[nH]1)C1CC1 393951300 409996659 /nfs/dbraw/zinc/99/66/59/409996659.db2.gz XSOMEUNORHSJID-JTQLQIEISA-N 1 2 195.266 0.924 20 0 ACADLO CC[C@H](CO)N(C)c1cc(C)[nH+]cn1 393949794 409997449 /nfs/dbraw/zinc/99/74/49/409997449.db2.gz WIUOPNGIXICIAA-SECBINFHSA-N 1 2 195.266 0.992 20 0 ACADLO CO[C@H](C[NH2+]Cc1ccn[nH]1)C1CC1 393951301 409997483 /nfs/dbraw/zinc/99/74/83/409997483.db2.gz XSOMEUNORHSJID-SNVBAGLBSA-N 1 2 195.266 0.924 20 0 ACADLO COC[C@H]([NH2+]Cc1c[nH]nn1)C(C)C 398355620 410020750 /nfs/dbraw/zinc/02/07/50/410020750.db2.gz HTQRXFCMGPMOFC-VIFPVBQESA-N 1 2 198.270 0.565 20 0 ACADLO COC[C@H]([NH2+]Cc1cn[nH]n1)C(C)C 398355620 410020758 /nfs/dbraw/zinc/02/07/58/410020758.db2.gz HTQRXFCMGPMOFC-VIFPVBQESA-N 1 2 198.270 0.565 20 0 ACADLO COC[C@@H]([NH2+]Cc1cn[nH]n1)C(C)C 398355619 410022003 /nfs/dbraw/zinc/02/20/03/410022003.db2.gz HTQRXFCMGPMOFC-SECBINFHSA-N 1 2 198.270 0.565 20 0 ACADLO COC[C@@H]([NH2+]Cc1c[nH]nn1)C(C)C 398355619 410021998 /nfs/dbraw/zinc/02/19/98/410021998.db2.gz HTQRXFCMGPMOFC-SECBINFHSA-N 1 2 198.270 0.565 20 0 ACADLO C[C@H]1C[C@@H]([NH2+]Cc2csnn2)CO1 401951119 410035218 /nfs/dbraw/zinc/03/52/18/410035218.db2.gz MGPINPLTDDTPRV-NKWVEPMBSA-N 1 2 199.279 0.805 20 0 ACADLO C[C@@H]1C[C@@H]([NH2+]Cc2csnn2)CO1 401951379 410035473 /nfs/dbraw/zinc/03/54/73/410035473.db2.gz MGPINPLTDDTPRV-RNFRBKRXSA-N 1 2 199.279 0.805 20 0 ACADLO C[C@H]1C[C@H]([NH2+]Cc2csnn2)CO1 401951114 410035573 /nfs/dbraw/zinc/03/55/73/410035573.db2.gz MGPINPLTDDTPRV-BQBZGAKWSA-N 1 2 199.279 0.805 20 0 ACADLO C[C@@H]1C[C@H]([NH2+]Cc2csnn2)CO1 401951381 410035911 /nfs/dbraw/zinc/03/59/11/410035911.db2.gz MGPINPLTDDTPRV-RQJHMYQMSA-N 1 2 199.279 0.805 20 0 ACADLO Cc1nc(NC[C@H]2C[C@@H](O)C2)cc[nH+]1 624666488 410145255 /nfs/dbraw/zinc/14/52/55/410145255.db2.gz DNJNPXJZZUKHKM-KYZUINATSA-N 1 2 193.250 0.968 20 0 ACADLO Cc1cc(NC[C@H]2C[C@@H](O)C2)nc[nH+]1 624666992 410145401 /nfs/dbraw/zinc/14/54/01/410145401.db2.gz ZTLHWOSXWVFDCR-KYZUINATSA-N 1 2 193.250 0.968 20 0 ACADLO COCCCNc1cc(CO)cc[nH+]1 641251841 410156248 /nfs/dbraw/zinc/15/62/48/410156248.db2.gz FFVPBSONJCDHDK-UHFFFAOYSA-N 1 2 196.250 1.022 20 0 ACADLO C[C@H](O)CCNc1cc(CO)cc[nH+]1 641379245 410158309 /nfs/dbraw/zinc/15/83/09/410158309.db2.gz WQICMQFNODWOBR-QMMMGPOBSA-N 1 2 196.250 0.757 20 0 ACADLO OCCCCNc1cc(CO)cc[nH+]1 641541460 410158486 /nfs/dbraw/zinc/15/84/86/410158486.db2.gz DLWBQXMMHVKVNM-UHFFFAOYSA-N 1 2 196.250 0.758 20 0 ACADLO c1nn[nH]c1C[NH+]1C2CCC1CC2 649242788 410179250 /nfs/dbraw/zinc/17/92/50/410179250.db2.gz RGCFJZRLQUKMKO-UHFFFAOYSA-N 1 2 178.239 0.932 20 0 ACADLO c1[nH]nnc1C[NH+]1C2CCC1CC2 649242788 410179256 /nfs/dbraw/zinc/17/92/56/410179256.db2.gz RGCFJZRLQUKMKO-UHFFFAOYSA-N 1 2 178.239 0.932 20 0 ACADLO c1n[nH]nc1C[NH+]1C2CCC1CC2 649242788 410179263 /nfs/dbraw/zinc/17/92/63/410179263.db2.gz RGCFJZRLQUKMKO-UHFFFAOYSA-N 1 2 178.239 0.932 20 0 ACADLO CC(C)C[N@H+](C)Cc1cnn[nH]1 649258688 410179323 /nfs/dbraw/zinc/17/93/23/410179323.db2.gz GZSQHARDNDCIPD-UHFFFAOYSA-N 1 2 168.244 0.893 20 0 ACADLO CC(C)C[N@@H+](C)Cc1cnn[nH]1 649258688 410179328 /nfs/dbraw/zinc/17/93/28/410179328.db2.gz GZSQHARDNDCIPD-UHFFFAOYSA-N 1 2 168.244 0.893 20 0 ACADLO CC(C)C[N@H+](C)Cc1c[nH]nn1 649258688 410179332 /nfs/dbraw/zinc/17/93/32/410179332.db2.gz GZSQHARDNDCIPD-UHFFFAOYSA-N 1 2 168.244 0.893 20 0 ACADLO CC(C)C[N@@H+](C)Cc1c[nH]nn1 649258688 410179337 /nfs/dbraw/zinc/17/93/37/410179337.db2.gz GZSQHARDNDCIPD-UHFFFAOYSA-N 1 2 168.244 0.893 20 0 ACADLO CC(C)C[N@H+](C)Cc1cn[nH]n1 649258688 410179340 /nfs/dbraw/zinc/17/93/40/410179340.db2.gz GZSQHARDNDCIPD-UHFFFAOYSA-N 1 2 168.244 0.893 20 0 ACADLO CC(C)C[N@@H+](C)Cc1cn[nH]n1 649258688 410179345 /nfs/dbraw/zinc/17/93/45/410179345.db2.gz GZSQHARDNDCIPD-UHFFFAOYSA-N 1 2 168.244 0.893 20 0 ACADLO C[N@@H+](Cc1cnn[nH]1)CC1CC1 649250044 410180623 /nfs/dbraw/zinc/18/06/23/410180623.db2.gz HIDRIBXXCOORSA-UHFFFAOYSA-N 1 2 166.228 0.647 20 0 ACADLO C[N@H+](Cc1cnn[nH]1)CC1CC1 649250044 410180629 /nfs/dbraw/zinc/18/06/29/410180629.db2.gz HIDRIBXXCOORSA-UHFFFAOYSA-N 1 2 166.228 0.647 20 0 ACADLO C[N@@H+](Cc1c[nH]nn1)CC1CC1 649250044 410180634 /nfs/dbraw/zinc/18/06/34/410180634.db2.gz HIDRIBXXCOORSA-UHFFFAOYSA-N 1 2 166.228 0.647 20 0 ACADLO C[N@H+](Cc1c[nH]nn1)CC1CC1 649250044 410180640 /nfs/dbraw/zinc/18/06/40/410180640.db2.gz HIDRIBXXCOORSA-UHFFFAOYSA-N 1 2 166.228 0.647 20 0 ACADLO C[N@@H+](Cc1cn[nH]n1)CC1CC1 649250044 410180643 /nfs/dbraw/zinc/18/06/43/410180643.db2.gz HIDRIBXXCOORSA-UHFFFAOYSA-N 1 2 166.228 0.647 20 0 ACADLO C[N@H+](Cc1cn[nH]n1)CC1CC1 649250044 410180647 /nfs/dbraw/zinc/18/06/47/410180647.db2.gz HIDRIBXXCOORSA-UHFFFAOYSA-N 1 2 166.228 0.647 20 0 ACADLO CC[NH+](CC)Cc1cnn[nH]1 649241006 410180972 /nfs/dbraw/zinc/18/09/72/410180972.db2.gz DZQGXAXBAGLSAA-UHFFFAOYSA-N 1 2 154.217 0.647 20 0 ACADLO CC[NH+](CC)Cc1c[nH]nn1 649241006 410180979 /nfs/dbraw/zinc/18/09/79/410180979.db2.gz DZQGXAXBAGLSAA-UHFFFAOYSA-N 1 2 154.217 0.647 20 0 ACADLO CC[NH+](CC)Cc1cn[nH]n1 649241006 410180984 /nfs/dbraw/zinc/18/09/84/410180984.db2.gz DZQGXAXBAGLSAA-UHFFFAOYSA-N 1 2 154.217 0.647 20 0 ACADLO CCC[N@H+](C)Cc1cnn[nH]1 649271355 410184496 /nfs/dbraw/zinc/18/44/96/410184496.db2.gz TZQGPMWODVRJJJ-UHFFFAOYSA-N 1 2 154.217 0.647 20 0 ACADLO CCC[N@@H+](C)Cc1cnn[nH]1 649271355 410184499 /nfs/dbraw/zinc/18/44/99/410184499.db2.gz TZQGPMWODVRJJJ-UHFFFAOYSA-N 1 2 154.217 0.647 20 0 ACADLO CCC[N@H+](C)Cc1c[nH]nn1 649271355 410184501 /nfs/dbraw/zinc/18/45/01/410184501.db2.gz TZQGPMWODVRJJJ-UHFFFAOYSA-N 1 2 154.217 0.647 20 0 ACADLO CCC[N@@H+](C)Cc1c[nH]nn1 649271355 410184504 /nfs/dbraw/zinc/18/45/04/410184504.db2.gz TZQGPMWODVRJJJ-UHFFFAOYSA-N 1 2 154.217 0.647 20 0 ACADLO CCC[N@H+](C)Cc1cn[nH]n1 649271355 410184505 /nfs/dbraw/zinc/18/45/05/410184505.db2.gz TZQGPMWODVRJJJ-UHFFFAOYSA-N 1 2 154.217 0.647 20 0 ACADLO CCC[N@@H+](C)Cc1cn[nH]n1 649271355 410184507 /nfs/dbraw/zinc/18/45/07/410184507.db2.gz TZQGPMWODVRJJJ-UHFFFAOYSA-N 1 2 154.217 0.647 20 0 ACADLO CCOCC[N@H+](CC)Cc1cnn[nH]1 649302567 410188217 /nfs/dbraw/zinc/18/82/17/410188217.db2.gz ANPKUMGWKMTSBQ-UHFFFAOYSA-N 1 2 198.270 0.663 20 0 ACADLO CCOCC[N@@H+](CC)Cc1cnn[nH]1 649302567 410188219 /nfs/dbraw/zinc/18/82/19/410188219.db2.gz ANPKUMGWKMTSBQ-UHFFFAOYSA-N 1 2 198.270 0.663 20 0 ACADLO CCOCC[N@H+](CC)Cc1c[nH]nn1 649302567 410188220 /nfs/dbraw/zinc/18/82/20/410188220.db2.gz ANPKUMGWKMTSBQ-UHFFFAOYSA-N 1 2 198.270 0.663 20 0 ACADLO CCOCC[N@@H+](CC)Cc1c[nH]nn1 649302567 410188222 /nfs/dbraw/zinc/18/82/22/410188222.db2.gz ANPKUMGWKMTSBQ-UHFFFAOYSA-N 1 2 198.270 0.663 20 0 ACADLO COC(C)(C)C[N@H+](C)Cc1cnn[nH]1 649350312 410191478 /nfs/dbraw/zinc/19/14/78/410191478.db2.gz HVQKTTPQQGXNGV-UHFFFAOYSA-N 1 2 198.270 0.662 20 0 ACADLO COC(C)(C)C[N@@H+](C)Cc1cnn[nH]1 649350312 410191481 /nfs/dbraw/zinc/19/14/81/410191481.db2.gz HVQKTTPQQGXNGV-UHFFFAOYSA-N 1 2 198.270 0.662 20 0 ACADLO COC(C)(C)C[N@H+](C)Cc1c[nH]nn1 649350312 410191482 /nfs/dbraw/zinc/19/14/82/410191482.db2.gz HVQKTTPQQGXNGV-UHFFFAOYSA-N 1 2 198.270 0.662 20 0 ACADLO COC(C)(C)C[N@@H+](C)Cc1c[nH]nn1 649350312 410191487 /nfs/dbraw/zinc/19/14/87/410191487.db2.gz HVQKTTPQQGXNGV-UHFFFAOYSA-N 1 2 198.270 0.662 20 0 ACADLO COC(C)(C)C[N@H+](C)Cc1cn[nH]n1 649350312 410191489 /nfs/dbraw/zinc/19/14/89/410191489.db2.gz HVQKTTPQQGXNGV-UHFFFAOYSA-N 1 2 198.270 0.662 20 0 ACADLO COC(C)(C)C[N@@H+](C)Cc1cn[nH]n1 649350312 410191492 /nfs/dbraw/zinc/19/14/92/410191492.db2.gz HVQKTTPQQGXNGV-UHFFFAOYSA-N 1 2 198.270 0.662 20 0 ACADLO Cn1cc(-c2c[nH+]cn2C)cn1 649423421 410196995 /nfs/dbraw/zinc/19/69/95/410196995.db2.gz LPHWTBNCPZOWEA-UHFFFAOYSA-N 1 2 162.196 0.821 20 0 ACADLO C1=CC[N@H+](Cc2cnn[nH]2)CC1 649417283 410197530 /nfs/dbraw/zinc/19/75/30/410197530.db2.gz QZROPLGGAZUEPH-UHFFFAOYSA-N 1 2 164.212 0.567 20 0 ACADLO C1=CC[N@@H+](Cc2cnn[nH]2)CC1 649417283 410197536 /nfs/dbraw/zinc/19/75/36/410197536.db2.gz QZROPLGGAZUEPH-UHFFFAOYSA-N 1 2 164.212 0.567 20 0 ACADLO C1=CC[N@H+](Cc2c[nH]nn2)CC1 649417283 410197538 /nfs/dbraw/zinc/19/75/38/410197538.db2.gz QZROPLGGAZUEPH-UHFFFAOYSA-N 1 2 164.212 0.567 20 0 ACADLO C1=CC[N@@H+](Cc2c[nH]nn2)CC1 649417283 410197542 /nfs/dbraw/zinc/19/75/42/410197542.db2.gz QZROPLGGAZUEPH-UHFFFAOYSA-N 1 2 164.212 0.567 20 0 ACADLO Cn1c[nH+]cc1-c1ccnn1C 649426236 410199982 /nfs/dbraw/zinc/19/99/82/410199982.db2.gz YITXAIBAJQBERW-UHFFFAOYSA-N 1 2 162.196 0.821 20 0 ACADLO O=C1CC[C@@H](C[N@H+]2CCC=C(F)C2)N1 649572594 410214193 /nfs/dbraw/zinc/21/41/93/410214193.db2.gz AUEIZVTVTAOJET-VIFPVBQESA-N 1 2 198.241 0.824 20 0 ACADLO O=C1CC[C@@H](C[N@@H+]2CCC=C(F)C2)N1 649572594 410214201 /nfs/dbraw/zinc/21/42/01/410214201.db2.gz AUEIZVTVTAOJET-VIFPVBQESA-N 1 2 198.241 0.824 20 0 ACADLO Cc1nc(N[C@H]2C[C@@H](O)C2)cc[nH+]1 649550783 410215839 /nfs/dbraw/zinc/21/58/39/410215839.db2.gz MPBGXKHFMOMGFX-OCAPTIKFSA-N 1 2 179.223 0.720 20 0 ACADLO CCc1cc(N[C@H]2C[C@@H](O)C2)nc[nH+]1 649550784 410215865 /nfs/dbraw/zinc/21/58/65/410215865.db2.gz MPXAMUVMSGOAOK-DTORHVGOSA-N 1 2 193.250 0.974 20 0 ACADLO Cc1cc(N[C@H]2C[C@@H](O)C2)nc[nH+]1 649550773 410216075 /nfs/dbraw/zinc/21/60/75/410216075.db2.gz HTMUXPPDFLYHFA-OCAPTIKFSA-N 1 2 179.223 0.720 20 0 ACADLO c1[nH]c(CN(C2CC2)C2COC2)c[nH+]1 649698021 410224215 /nfs/dbraw/zinc/22/42/15/410224215.db2.gz JNMMYZHQEJDNGN-UHFFFAOYSA-N 1 2 193.250 0.773 20 0 ACADLO c1[nH]cc(CN(C2CC2)C2COC2)[nH+]1 649698021 410224220 /nfs/dbraw/zinc/22/42/20/410224220.db2.gz JNMMYZHQEJDNGN-UHFFFAOYSA-N 1 2 193.250 0.773 20 0 ACADLO CCCNC(=O)C[N@@H+]1CC[C@H](F)C1 649754958 410232995 /nfs/dbraw/zinc/23/29/95/410232995.db2.gz LWGLKXKLQDDOTF-QMMMGPOBSA-N 1 2 188.246 0.556 20 0 ACADLO CCCNC(=O)C[N@H+]1CC[C@H](F)C1 649754958 410233002 /nfs/dbraw/zinc/23/30/02/410233002.db2.gz 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Cc1nc(C[N@@H+](C)[C@@H](C)CCO)no1 649865779 410240508 /nfs/dbraw/zinc/24/05/08/410240508.db2.gz CEGUMJKFYJHGKM-ZETCQYMHSA-N 1 2 199.254 0.581 20 0 ACADLO Cc1nc(C[N@H+](C)[C@@H](C)CCO)no1 649865779 410240512 /nfs/dbraw/zinc/24/05/12/410240512.db2.gz CEGUMJKFYJHGKM-ZETCQYMHSA-N 1 2 199.254 0.581 20 0 ACADLO Cc1nc(C[N@@H+](C)[C@H](C)CCO)no1 649865778 410241588 /nfs/dbraw/zinc/24/15/88/410241588.db2.gz CEGUMJKFYJHGKM-SSDOTTSWSA-N 1 2 199.254 0.581 20 0 ACADLO Cc1nc(C[N@H+](C)[C@H](C)CCO)no1 649865778 410241594 /nfs/dbraw/zinc/24/15/94/410241594.db2.gz CEGUMJKFYJHGKM-SSDOTTSWSA-N 1 2 199.254 0.581 20 0 ACADLO C[C@@H](CCO)[N@H+](C)Cc1ncnn1C 649867194 410242846 /nfs/dbraw/zinc/24/28/46/410242846.db2.gz GABLWZVEMIMGNM-QMMMGPOBSA-N 1 2 198.270 0.018 20 0 ACADLO C[C@@H](CCO)[N@@H+](C)Cc1ncnn1C 649867194 410242853 /nfs/dbraw/zinc/24/28/53/410242853.db2.gz GABLWZVEMIMGNM-QMMMGPOBSA-N 1 2 198.270 0.018 20 0 ACADLO C[C@H](CCO)[N@H+](C)CC(F)F 649867741 410243722 /nfs/dbraw/zinc/24/37/22/410243722.db2.gz QUPIZDTXCLDIKH-ZCFIWIBFSA-N 1 2 167.199 0.954 20 0 ACADLO C[C@H](CCO)[N@@H+](C)CC(F)F 649867741 410243727 /nfs/dbraw/zinc/24/37/27/410243727.db2.gz QUPIZDTXCLDIKH-ZCFIWIBFSA-N 1 2 167.199 0.954 20 0 ACADLO C[C@@H](CCO)[N@H+](C)CC(F)F 649867740 410243944 /nfs/dbraw/zinc/24/39/44/410243944.db2.gz QUPIZDTXCLDIKH-LURJTMIESA-N 1 2 167.199 0.954 20 0 ACADLO C[C@@H](CCO)[N@@H+](C)CC(F)F 649867740 410243950 /nfs/dbraw/zinc/24/39/50/410243950.db2.gz QUPIZDTXCLDIKH-LURJTMIESA-N 1 2 167.199 0.954 20 0 ACADLO Cc1nnc(C[N@@H+](C)[C@@H](C)CCO)[nH]1 649870987 410244291 /nfs/dbraw/zinc/24/42/91/410244291.db2.gz PBFZZOMQUHGDLF-ZETCQYMHSA-N 1 2 198.270 0.316 20 0 ACADLO Cc1nnc(C[N@H+](C)[C@@H](C)CCO)[nH]1 649870987 410244295 /nfs/dbraw/zinc/24/42/95/410244295.db2.gz PBFZZOMQUHGDLF-ZETCQYMHSA-N 1 2 198.270 0.316 20 0 ACADLO Cc1nnc(C[N@@H+](C)[C@H](C)CCO)[nH]1 649870986 410244607 /nfs/dbraw/zinc/24/46/07/410244607.db2.gz PBFZZOMQUHGDLF-SSDOTTSWSA-N 1 2 198.270 0.316 20 0 ACADLO Cc1nnc(C[N@H+](C)[C@H](C)CCO)[nH]1 649870986 410244612 /nfs/dbraw/zinc/24/46/12/410244612.db2.gz PBFZZOMQUHGDLF-SSDOTTSWSA-N 1 2 198.270 0.316 20 0 ACADLO C[C@H](CCO)[N@H+](C)Cc1ncnn1C 649867191 410244648 /nfs/dbraw/zinc/24/46/48/410244648.db2.gz GABLWZVEMIMGNM-MRVPVSSYSA-N 1 2 198.270 0.018 20 0 ACADLO C[C@H](CCO)[N@@H+](C)Cc1ncnn1C 649867191 410244652 /nfs/dbraw/zinc/24/46/52/410244652.db2.gz GABLWZVEMIMGNM-MRVPVSSYSA-N 1 2 198.270 0.018 20 0 ACADLO C[C@H](CC(=O)NCCF)n1cc[nH+]c1 649991224 410249857 /nfs/dbraw/zinc/24/98/57/410249857.db2.gz ROTMTQAUBMSQRS-MRVPVSSYSA-N 1 2 199.229 0.920 20 0 ACADLO C[C@@H](CC(=O)NCCF)n1cc[nH+]c1 649991225 410251862 /nfs/dbraw/zinc/25/18/62/410251862.db2.gz ROTMTQAUBMSQRS-QMMMGPOBSA-N 1 2 199.229 0.920 20 0 ACADLO CCO[C@@H]1COC[C@H]1[NH2+]CC(F)F 650240939 410259981 /nfs/dbraw/zinc/25/99/81/410259981.db2.gz GENVLYDEOWXNCS-RNFRBKRXSA-N 1 2 195.209 0.645 20 0 ACADLO C[C@@H]1[C@H](O)CC[N@@H+]1CC(F)F 650187900 410261107 /nfs/dbraw/zinc/26/11/07/410261107.db2.gz INIVXTAHEWIAAH-PHDIDXHHSA-N 1 2 165.183 0.707 20 0 ACADLO C[C@@H]1[C@H](O)CC[N@H+]1CC(F)F 650187900 410261113 /nfs/dbraw/zinc/26/11/13/410261113.db2.gz INIVXTAHEWIAAH-PHDIDXHHSA-N 1 2 165.183 0.707 20 0 ACADLO COc1cc(C[N@@H+]2CC[C@@H]2CO)on1 934014521 629870860 /nfs/dbraw/zinc/87/08/60/629870860.db2.gz CPWVDDFKLVAVGK-SSDOTTSWSA-N 1 2 198.222 0.250 20 0 ACADLO OC[C@@H]1CC[N@@H+]1Cc1cccc(F)n1 934020148 629876073 /nfs/dbraw/zinc/87/60/73/629876073.db2.gz WYTKUVXXMYFAFG-VIFPVBQESA-N 1 2 196.225 0.787 20 0 ACADLO OC1CC[NH+](Cc2ncc[nH]2)CC1 74301789 573303008 /nfs/dbraw/zinc/30/30/08/573303008.db2.gz CBHZGJWGRNHTBK-UHFFFAOYSA-N 1 2 181.239 0.366 20 0 ACADLO CC[C@H](O)C[N@H+](CCO)CC(F)F 231338811 573325235 /nfs/dbraw/zinc/32/52/35/573325235.db2.gz JSDXXHXMUBKWTO-ZETCQYMHSA-N 1 2 197.225 0.317 20 0 ACADLO CC[C@H](O)C[N@@H+](CCO)CC(F)F 231338811 573325241 /nfs/dbraw/zinc/32/52/41/573325241.db2.gz JSDXXHXMUBKWTO-ZETCQYMHSA-N 1 2 197.225 0.317 20 0 ACADLO COCCC[NH2+][C@@]1(C)CCOC1=O 308367696 573366705 /nfs/dbraw/zinc/36/67/05/573366705.db2.gz OUXSGEKGTMJURM-VIFPVBQESA-N 1 2 187.239 0.318 20 0 ACADLO CC(C)NC(=O)Cc1c[nH]c[nH+]1 74673115 573369971 /nfs/dbraw/zinc/36/99/71/573369971.db2.gz WYCLFZUTEZSKIE-UHFFFAOYSA-N 1 2 167.212 0.477 20 0 ACADLO CC(C)NC(=O)Cc1c[nH+]c[nH]1 74673115 573369976 /nfs/dbraw/zinc/36/99/76/573369976.db2.gz WYCLFZUTEZSKIE-UHFFFAOYSA-N 1 2 167.212 0.477 20 0 ACADLO CCC[N@H+](CCF)CC(=O)N(C)C 308374071 573370222 /nfs/dbraw/zinc/37/02/22/573370222.db2.gz RJZUFOXTPDLJAW-UHFFFAOYSA-N 1 2 190.262 0.756 20 0 ACADLO CCC[N@@H+](CCF)CC(=O)N(C)C 308374071 573370226 /nfs/dbraw/zinc/37/02/26/573370226.db2.gz RJZUFOXTPDLJAW-UHFFFAOYSA-N 1 2 190.262 0.756 20 0 ACADLO CCCCNC(=O)Cc1c[nH]c[nH+]1 74673120 573370743 /nfs/dbraw/zinc/37/07/43/573370743.db2.gz DRDRRVJUCYODED-UHFFFAOYSA-N 1 2 181.239 0.869 20 0 ACADLO CCCCNC(=O)Cc1c[nH+]c[nH]1 74673120 573370749 /nfs/dbraw/zinc/37/07/49/573370749.db2.gz DRDRRVJUCYODED-UHFFFAOYSA-N 1 2 181.239 0.869 20 0 ACADLO COCCCNC(=O)Cc1c[nH]c[nH+]1 74673151 573370877 /nfs/dbraw/zinc/37/08/77/573370877.db2.gz RQGBZOJUVUNYAD-UHFFFAOYSA-N 1 2 197.238 0.105 20 0 ACADLO COCCCNC(=O)Cc1c[nH+]c[nH]1 74673151 573370885 /nfs/dbraw/zinc/37/08/85/573370885.db2.gz RQGBZOJUVUNYAD-UHFFFAOYSA-N 1 2 197.238 0.105 20 0 ACADLO O=C(Cc1c[nH]c[nH+]1)NC1CC1 74673117 573370970 /nfs/dbraw/zinc/37/09/70/573370970.db2.gz MDWQCJQLQWEEQQ-UHFFFAOYSA-N 1 2 165.196 0.231 20 0 ACADLO O=C(Cc1c[nH+]c[nH]1)NC1CC1 74673117 573370976 /nfs/dbraw/zinc/37/09/76/573370976.db2.gz MDWQCJQLQWEEQQ-UHFFFAOYSA-N 1 2 165.196 0.231 20 0 ACADLO CC[C@H]([NH2+]C[C@@H](C)O)c1noc(C)n1 308565792 573379438 /nfs/dbraw/zinc/37/94/38/573379438.db2.gz AQIBWOCGBJIJRX-SVRRBLITSA-N 1 2 199.254 0.800 20 0 ACADLO CC[C@@H]([NH2+]CCO)c1noc(C)n1 308372444 573386480 /nfs/dbraw/zinc/38/64/80/573386480.db2.gz QSXVKBRJGXALTK-SSDOTTSWSA-N 1 2 185.227 0.411 20 0 ACADLO CON(C)C(=O)Cc1[nH]c[nH+]c1C 308391576 573474160 /nfs/dbraw/zinc/47/41/60/573474160.db2.gz ZVGJLIYTQOZSOP-UHFFFAOYSA-N 1 2 183.211 0.280 20 0 ACADLO COC[C@H]([NH2+][C@H]1CCOC1=O)C1CC1 308605303 573519207 /nfs/dbraw/zinc/51/92/07/573519207.db2.gz PLCSJBNIFWGXKG-IUCAKERBSA-N 1 2 199.250 0.317 20 0 ACADLO COC[C@@H]([NH2+][C@@H]1CCOC1=O)C1CC1 308605305 573519389 /nfs/dbraw/zinc/51/93/89/573519389.db2.gz PLCSJBNIFWGXKG-RKDXNWHRSA-N 1 2 199.250 0.317 20 0 ACADLO CO[C@H](C)C[NH2+][C@]1(C)CCOC1=O 308402128 573583790 /nfs/dbraw/zinc/58/37/90/573583790.db2.gz HMSOUPLNPKHMBU-VXNVDRBHSA-N 1 2 187.239 0.317 20 0 ACADLO CN(C)C(=O)NCc1[nH]cc[nH+]1 78739730 573607445 /nfs/dbraw/zinc/60/74/45/573607445.db2.gz IOKUIIIFUQWYSG-UHFFFAOYSA-N 1 2 168.200 0.181 20 0 ACADLO CO[C@H](C)c1nnc(C[NH+](C)C)o1 308406235 573611307 /nfs/dbraw/zinc/61/13/07/573611307.db2.gz JWJDBRJRSWTPCF-ZCFIWIBFSA-N 1 2 185.227 0.839 20 0 ACADLO Cn1c[nH+]cc1CC(=O)NCCF 393552239 573697279 /nfs/dbraw/zinc/69/72/79/573697279.db2.gz UIWIOXZGUQTWGP-UHFFFAOYSA-N 1 2 185.202 0.048 20 0 ACADLO Cc1nonc1C[N@@H+]1CCC[C@@H](O)C1 69795695 573750855 /nfs/dbraw/zinc/75/08/55/573750855.db2.gz PUFMVCNYTQVPGI-MRVPVSSYSA-N 1 2 197.238 0.335 20 0 ACADLO Cc1nonc1C[N@H+]1CCC[C@@H](O)C1 69795695 573750858 /nfs/dbraw/zinc/75/08/58/573750858.db2.gz PUFMVCNYTQVPGI-MRVPVSSYSA-N 1 2 197.238 0.335 20 0 ACADLO Cc1nonc1C[NH+]1CCC(O)CC1 69795697 573751066 /nfs/dbraw/zinc/75/10/66/573751066.db2.gz BZHCCSHAFFJFST-UHFFFAOYSA-N 1 2 197.238 0.335 20 0 ACADLO Cc1nonc1C[N@H+](CCO)C1CC1 69795700 573754621 /nfs/dbraw/zinc/75/46/21/573754621.db2.gz GPQCWWAEDCKHKV-UHFFFAOYSA-N 1 2 197.238 0.335 20 0 ACADLO Cc1nonc1C[N@@H+](CCO)C1CC1 69795700 573754624 /nfs/dbraw/zinc/75/46/24/573754624.db2.gz GPQCWWAEDCKHKV-UHFFFAOYSA-N 1 2 197.238 0.335 20 0 ACADLO COCC[C@H](C)[NH2+][C@H]1CCOC1=O 308444300 573814249 /nfs/dbraw/zinc/81/42/49/573814249.db2.gz ANPITPMNRRRJPX-YUMQZZPRSA-N 1 2 187.239 0.317 20 0 ACADLO Cc1cc(C[NH2+]C2(C(N)=O)CC2)on1 308762472 573838027 /nfs/dbraw/zinc/83/80/27/573838027.db2.gz YPLQRJWZJSHZCJ-UHFFFAOYSA-N 1 2 195.222 0.091 20 0 ACADLO CC(C)C1(O)C[NH+](Cc2ccno2)C1 84376685 573862304 /nfs/dbraw/zinc/86/23/04/573862304.db2.gz OTSZCLSDCLHVJJ-UHFFFAOYSA-N 1 2 196.250 0.877 20 0 ACADLO Cn1ncc(C[NH2+]Cc2ccco2)n1 308457452 573862307 /nfs/dbraw/zinc/86/23/07/573862307.db2.gz FEJDDVFOZGRWGP-UHFFFAOYSA-N 1 2 192.222 0.698 20 0 ACADLO COCCC(=O)N[C@@H](C)c1[nH]cc[nH+]1 125383565 573890266 /nfs/dbraw/zinc/89/02/66/573890266.db2.gz KFMLZPSPLXNHGL-ZETCQYMHSA-N 1 2 197.238 0.623 20 0 ACADLO COC[C@H](O)CCNc1cccc[nH+]1 231570269 573891083 /nfs/dbraw/zinc/89/10/83/573891083.db2.gz OCPOYXULVPLJFM-SECBINFHSA-N 1 2 196.250 0.891 20 0 ACADLO COC[C@@H](O)CCNc1cccc[nH+]1 231570254 573891150 /nfs/dbraw/zinc/89/11/50/573891150.db2.gz OCPOYXULVPLJFM-VIFPVBQESA-N 1 2 196.250 0.891 20 0 ACADLO Cc1cc(CNCc2[nH]cc[nH+]2)no1 44693387 573915072 /nfs/dbraw/zinc/91/50/72/573915072.db2.gz ZRTQWPBQQYLTTF-UHFFFAOYSA-N 1 2 192.222 0.996 20 0 ACADLO OCC1C[NH+](Cc2cscn2)C1 84988878 573937968 /nfs/dbraw/zinc/93/79/68/573937968.db2.gz OFXJRFJYNZOWPM-UHFFFAOYSA-N 1 2 184.264 0.567 20 0 ACADLO CNc1cc(NC[C@H](C)O)[nH+]cn1 87811050 574040037 /nfs/dbraw/zinc/04/00/37/574040037.db2.gz KOFFWDPLBLIPCZ-LURJTMIESA-N 1 2 182.227 0.311 20 0 ACADLO CNc1cc(N[C@@H](C)CO)nc[nH+]1 87811362 574039684 /nfs/dbraw/zinc/03/96/84/574039684.db2.gz UMTHMBFWSISEAB-LURJTMIESA-N 1 2 182.227 0.311 20 0 ACADLO CNc1cc(N[C@@H](C)CO)[nH+]cn1 87811362 574039686 /nfs/dbraw/zinc/03/96/86/574039686.db2.gz UMTHMBFWSISEAB-LURJTMIESA-N 1 2 182.227 0.311 20 0 ACADLO CNc1cc(N(C)C[C@H](C)O)nc[nH+]1 87826758 574044369 /nfs/dbraw/zinc/04/43/69/574044369.db2.gz IVQWERQLKCBTNM-ZETCQYMHSA-N 1 2 196.254 0.335 20 0 ACADLO CNc1cc(N(C)C[C@H](C)O)[nH+]cn1 87826758 574044370 /nfs/dbraw/zinc/04/43/70/574044370.db2.gz IVQWERQLKCBTNM-ZETCQYMHSA-N 1 2 196.254 0.335 20 0 ACADLO C[N@H+](C/C=C/Cl)[C@H]1CCNC1=O 306686716 629669545 /nfs/dbraw/zinc/66/95/45/629669545.db2.gz GJTHDNKTLQOIMT-XBBYQOBLSA-N 1 2 188.658 0.559 20 0 ACADLO C[N@@H+](C/C=C/Cl)[C@H]1CCNC1=O 306686716 629669555 /nfs/dbraw/zinc/66/95/55/629669555.db2.gz GJTHDNKTLQOIMT-XBBYQOBLSA-N 1 2 188.658 0.559 20 0 ACADLO CNC(=O)[C@H]1CCCC[N@@H+]1CCF 306757393 629672801 /nfs/dbraw/zinc/67/28/01/629672801.db2.gz NJDZAHAYMNFDSA-MRVPVSSYSA-N 1 2 188.246 0.556 20 0 ACADLO CNC(=O)[C@H]1CCCC[N@H+]1CCF 306757393 629672809 /nfs/dbraw/zinc/67/28/09/629672809.db2.gz NJDZAHAYMNFDSA-MRVPVSSYSA-N 1 2 188.246 0.556 20 0 ACADLO CNC(=O)[C@@H]1CCCC[N@@H+]1CCF 306757394 629672833 /nfs/dbraw/zinc/67/28/33/629672833.db2.gz NJDZAHAYMNFDSA-QMMMGPOBSA-N 1 2 188.246 0.556 20 0 ACADLO CNC(=O)[C@@H]1CCCC[N@H+]1CCF 306757394 629672844 /nfs/dbraw/zinc/67/28/44/629672844.db2.gz NJDZAHAYMNFDSA-QMMMGPOBSA-N 1 2 188.246 0.556 20 0 ACADLO CC[C@H](CO)[NH2+]Cc1noc(C)n1 234017937 629673242 /nfs/dbraw/zinc/67/32/42/629673242.db2.gz UPYXVMHZAQZLCF-SSDOTTSWSA-N 1 2 185.227 0.239 20 0 ACADLO Cn1c[nH+]cc1CNC(=O)C(C)(C)F 306820487 629679794 /nfs/dbraw/zinc/67/97/94/629679794.db2.gz DRRUHZVWQGVAMX-UHFFFAOYSA-N 1 2 199.229 0.784 20 0 ACADLO C[C@H]1CCCN1C(=O)Cc1c[nH+]c[nH]1 80119091 629681896 /nfs/dbraw/zinc/68/18/96/629681896.db2.gz UEJDLWLWTSCOAO-QMMMGPOBSA-N 1 2 193.250 0.963 20 0 ACADLO CC(C)C(=O)NCc1c[nH+]cn1C 145994553 629725095 /nfs/dbraw/zinc/72/50/95/629725095.db2.gz AEQHYUXHJDXCQI-UHFFFAOYSA-N 1 2 181.239 0.692 20 0 ACADLO O=C1OCC[C@@H]1CCn1cc[nH+]c1 307214056 629755677 /nfs/dbraw/zinc/75/56/77/629755677.db2.gz ZBBDULRAEJZBFN-QMMMGPOBSA-N 1 2 180.207 0.836 20 0 ACADLO O=C1OCC[C@H]1CCn1cc[nH+]c1 307214051 629755945 /nfs/dbraw/zinc/75/59/45/629755945.db2.gz ZBBDULRAEJZBFN-MRVPVSSYSA-N 1 2 180.207 0.836 20 0 ACADLO OC[C@]1(F)CC[N@H+](CCF)C1 307374050 629764269 /nfs/dbraw/zinc/76/42/69/629764269.db2.gz XHAFSNPOAHJGHI-ZETCQYMHSA-N 1 2 165.183 0.362 20 0 ACADLO OC[C@]1(F)CC[N@@H+](CCF)C1 307374050 629764289 /nfs/dbraw/zinc/76/42/89/629764289.db2.gz XHAFSNPOAHJGHI-ZETCQYMHSA-N 1 2 165.183 0.362 20 0 ACADLO CCC(=O)CC[NH+]1CCOCC1 147969251 629765533 /nfs/dbraw/zinc/76/55/33/629765533.db2.gz PNBQNFPDQRDKDM-UHFFFAOYSA-N 1 2 171.240 0.688 20 0 ACADLO Cn1ncc(C[NH2+]C2CSC2)n1 307621895 629788241 /nfs/dbraw/zinc/78/82/41/629788241.db2.gz PDUASNWOGCQHJT-UHFFFAOYSA-N 1 2 184.268 0.020 20 0 ACADLO COC[C@H]([NH3+])c1nc(CC2CC2)no1 88001268 629820255 /nfs/dbraw/zinc/82/02/55/629820255.db2.gz XDAMEGJFNPSRGS-ZETCQYMHSA-N 1 2 197.238 0.668 20 0 ACADLO CCOCC[N@H+](C)[C@H]1CCOC1=O 308304392 629856612 /nfs/dbraw/zinc/85/66/12/629856612.db2.gz MTUDDJRNXIPEOA-QMMMGPOBSA-N 1 2 187.239 0.270 20 0 ACADLO CCOCC[N@@H+](C)[C@H]1CCOC1=O 308304392 629856615 /nfs/dbraw/zinc/85/66/15/629856615.db2.gz MTUDDJRNXIPEOA-QMMMGPOBSA-N 1 2 187.239 0.270 20 0 ACADLO Cc1cc(C[N@@H+]2CC[C@@H]2CO)nn1C 934012983 629866742 /nfs/dbraw/zinc/86/67/42/629866742.db2.gz SSVGUGDVPNVMNR-SNVBAGLBSA-N 1 2 195.266 0.295 20 0 ACADLO Cl/C=C\C[N@@H+]1CCc2n[nH]nc2C1 308359819 629860251 /nfs/dbraw/zinc/86/02/51/629860251.db2.gz CVTXCPDWBGTLRL-IWQZZHSRSA-N 1 2 198.657 0.915 20 0 ACADLO Cl/C=C\C[N@H+]1CCc2n[nH]nc2C1 308359819 629860254 /nfs/dbraw/zinc/86/02/54/629860254.db2.gz CVTXCPDWBGTLRL-IWQZZHSRSA-N 1 2 198.657 0.915 20 0 ACADLO Cc1cc(C[N@H+]2CC[C@@H]2CO)nn1C 934012983 629866743 /nfs/dbraw/zinc/86/67/43/629866743.db2.gz SSVGUGDVPNVMNR-SNVBAGLBSA-N 1 2 195.266 0.295 20 0 ACADLO OC[C@H]1CC[N@@H+]1Cc1cncc(F)c1 934013525 629868277 /nfs/dbraw/zinc/86/82/77/629868277.db2.gz HMLSDCOXAOICME-SNVBAGLBSA-N 1 2 196.225 0.787 20 0 ACADLO CC[C@@H](C(=O)OC)[N@@H+]1CC[C@H]1CO 934014909 629865635 /nfs/dbraw/zinc/86/56/35/629865635.db2.gz PIQRUWOLJCPGAL-YUMQZZPRSA-N 1 2 187.239 0.005 20 0 ACADLO CC[C@@H](C(=O)OC)[N@H+]1CC[C@H]1CO 934014909 629865639 /nfs/dbraw/zinc/86/56/39/629865639.db2.gz PIQRUWOLJCPGAL-YUMQZZPRSA-N 1 2 187.239 0.005 20 0 ACADLO OC[C@@H]1CC[N@@H+]1Cc1ccc(F)cn1 934014032 629865716 /nfs/dbraw/zinc/86/57/16/629865716.db2.gz JSGXBRYCEUQOAL-JTQLQIEISA-N 1 2 196.225 0.787 20 0 ACADLO OC[C@@H]1CC[N@H+]1Cc1ccc(F)cn1 934014032 629865720 /nfs/dbraw/zinc/86/57/20/629865720.db2.gz JSGXBRYCEUQOAL-JTQLQIEISA-N 1 2 196.225 0.787 20 0 ACADLO OC[C@H]1CC[N@@H+]1Cc1ccns1 934012449 629866211 /nfs/dbraw/zinc/86/62/11/629866211.db2.gz RJSMIHXSCHKDEU-SSDOTTSWSA-N 1 2 184.264 0.710 20 0 ACADLO OC[C@H]1CC[N@H+]1Cc1ccns1 934012449 629866214 /nfs/dbraw/zinc/86/62/14/629866214.db2.gz RJSMIHXSCHKDEU-SSDOTTSWSA-N 1 2 184.264 0.710 20 0 ACADLO C[C@@H](c1ncccn1)[N@@H+]1CC[C@H]1CO 934010270 629866220 /nfs/dbraw/zinc/86/62/20/629866220.db2.gz BZOWHYUDHXDPRG-IUCAKERBSA-N 1 2 193.250 0.604 20 0 ACADLO C[C@@H](c1ncccn1)[N@H+]1CC[C@H]1CO 934010270 629866222 /nfs/dbraw/zinc/86/62/22/629866222.db2.gz BZOWHYUDHXDPRG-IUCAKERBSA-N 1 2 193.250 0.604 20 0 ACADLO CC[C@@H](C(=O)OC)[N@@H+]1CC[C@@H]1CO 934014904 629866347 /nfs/dbraw/zinc/86/63/47/629866347.db2.gz PIQRUWOLJCPGAL-SFYZADRCSA-N 1 2 187.239 0.005 20 0 ACADLO CC[C@@H](C(=O)OC)[N@H+]1CC[C@@H]1CO 934014904 629866352 /nfs/dbraw/zinc/86/63/52/629866352.db2.gz PIQRUWOLJCPGAL-SFYZADRCSA-N 1 2 187.239 0.005 20 0 ACADLO Cc1nnsc1C[N@@H+]1CC[C@@H]1CO 934014228 629866435 /nfs/dbraw/zinc/86/64/35/629866435.db2.gz APRQQWJXSYLWRE-SSDOTTSWSA-N 1 2 199.279 0.413 20 0 ACADLO Cc1nnsc1C[N@H+]1CC[C@@H]1CO 934014228 629866438 /nfs/dbraw/zinc/86/64/38/629866438.db2.gz APRQQWJXSYLWRE-SSDOTTSWSA-N 1 2 199.279 0.413 20 0 ACADLO C[C@@H](c1ncccn1)[N@@H+]1CC[C@@H]1CO 934010269 629866542 /nfs/dbraw/zinc/86/65/42/629866542.db2.gz BZOWHYUDHXDPRG-DTWKUNHWSA-N 1 2 193.250 0.604 20 0 ACADLO C[C@@H](c1ncccn1)[N@H+]1CC[C@@H]1CO 934010269 629866544 /nfs/dbraw/zinc/86/65/44/629866544.db2.gz BZOWHYUDHXDPRG-DTWKUNHWSA-N 1 2 193.250 0.604 20 0 ACADLO OC[C@@H]1CC[N@@H+]1Cc1cncc(F)c1 934013524 629866825 /nfs/dbraw/zinc/86/68/25/629866825.db2.gz HMLSDCOXAOICME-JTQLQIEISA-N 1 2 196.225 0.787 20 0 ACADLO OC[C@@H]1CC[N@H+]1Cc1cncc(F)c1 934013524 629866829 /nfs/dbraw/zinc/86/68/29/629866829.db2.gz HMLSDCOXAOICME-JTQLQIEISA-N 1 2 196.225 0.787 20 0 ACADLO Cc1nnsc1C[N@@H+]1CC[C@H]1CO 934014229 629867371 /nfs/dbraw/zinc/86/73/71/629867371.db2.gz APRQQWJXSYLWRE-ZETCQYMHSA-N 1 2 199.279 0.413 20 0 ACADLO Cc1nnsc1C[N@H+]1CC[C@H]1CO 934014229 629867374 /nfs/dbraw/zinc/86/73/74/629867374.db2.gz APRQQWJXSYLWRE-ZETCQYMHSA-N 1 2 199.279 0.413 20 0 ACADLO C[C@H](c1ncccn1)[N@@H+]1CC[C@H]1CO 934010268 629867395 /nfs/dbraw/zinc/86/73/95/629867395.db2.gz BZOWHYUDHXDPRG-BDAKNGLRSA-N 1 2 193.250 0.604 20 0 ACADLO C[C@H](c1ncccn1)[N@H+]1CC[C@H]1CO 934010268 629867400 /nfs/dbraw/zinc/86/74/00/629867400.db2.gz BZOWHYUDHXDPRG-BDAKNGLRSA-N 1 2 193.250 0.604 20 0 ACADLO C[C@H](c1ncccn1)[N@@H+]1CC[C@@H]1CO 934010271 629867515 /nfs/dbraw/zinc/86/75/15/629867515.db2.gz BZOWHYUDHXDPRG-RKDXNWHRSA-N 1 2 193.250 0.604 20 0 ACADLO C[C@H](c1ncccn1)[N@H+]1CC[C@@H]1CO 934010271 629867519 /nfs/dbraw/zinc/86/75/19/629867519.db2.gz BZOWHYUDHXDPRG-RKDXNWHRSA-N 1 2 193.250 0.604 20 0 ACADLO OC[C@H]1CC[N@@H+]1Cc1ccc(F)cn1 934014033 629867564 /nfs/dbraw/zinc/86/75/64/629867564.db2.gz JSGXBRYCEUQOAL-SNVBAGLBSA-N 1 2 196.225 0.787 20 0 ACADLO OC[C@H]1CC[N@H+]1Cc1ccc(F)cn1 934014033 629867566 /nfs/dbraw/zinc/86/75/66/629867566.db2.gz JSGXBRYCEUQOAL-SNVBAGLBSA-N 1 2 196.225 0.787 20 0 ACADLO OC[C@@H]1CC[N@@H+]1Cc1ccns1 934012456 629867675 /nfs/dbraw/zinc/86/76/75/629867675.db2.gz RJSMIHXSCHKDEU-ZETCQYMHSA-N 1 2 184.264 0.710 20 0 ACADLO OC[C@@H]1CC[N@H+]1Cc1ccns1 934012456 629867680 /nfs/dbraw/zinc/86/76/80/629867680.db2.gz RJSMIHXSCHKDEU-ZETCQYMHSA-N 1 2 184.264 0.710 20 0 ACADLO Cc1cc(C[N@@H+]2CC[C@H]2CO)nn1C 934012982 629868239 /nfs/dbraw/zinc/86/82/39/629868239.db2.gz SSVGUGDVPNVMNR-JTQLQIEISA-N 1 2 195.266 0.295 20 0 ACADLO Cc1cc(C[N@H+]2CC[C@H]2CO)nn1C 934012982 629868241 /nfs/dbraw/zinc/86/82/41/629868241.db2.gz SSVGUGDVPNVMNR-JTQLQIEISA-N 1 2 195.266 0.295 20 0 ACADLO OC[C@H]1CC[N@H+]1Cc1cncc(F)c1 934013525 629868279 /nfs/dbraw/zinc/86/82/79/629868279.db2.gz HMLSDCOXAOICME-SNVBAGLBSA-N 1 2 196.225 0.787 20 0 ACADLO COc1cc(C[N@H+]2CC[C@@H]2CO)on1 934014521 629870863 /nfs/dbraw/zinc/87/08/63/629870863.db2.gz CPWVDDFKLVAVGK-SSDOTTSWSA-N 1 2 198.222 0.250 20 0 ACADLO CC[C@H](C(=O)OC)[N@@H+]1CC[C@@H]1CO 934014895 629871029 /nfs/dbraw/zinc/87/10/29/629871029.db2.gz PIQRUWOLJCPGAL-HTQZYQBOSA-N 1 2 187.239 0.005 20 0 ACADLO CC[C@H](C(=O)OC)[N@H+]1CC[C@@H]1CO 934014895 629871033 /nfs/dbraw/zinc/87/10/33/629871033.db2.gz PIQRUWOLJCPGAL-HTQZYQBOSA-N 1 2 187.239 0.005 20 0 ACADLO COc1cc(C[N@@H+]2CC[C@H]2CO)on1 934014522 629871975 /nfs/dbraw/zinc/87/19/75/629871975.db2.gz CPWVDDFKLVAVGK-ZETCQYMHSA-N 1 2 198.222 0.250 20 0 ACADLO COc1cc(C[N@H+]2CC[C@H]2CO)on1 934014522 629871977 /nfs/dbraw/zinc/87/19/77/629871977.db2.gz CPWVDDFKLVAVGK-ZETCQYMHSA-N 1 2 198.222 0.250 20 0 ACADLO Cc1nc(C[N@@H+]2CC[C@H]2CO)oc1C 934025977 629872231 /nfs/dbraw/zinc/87/22/31/629872231.db2.gz ILYNRASQVWVRSI-VIFPVBQESA-N 1 2 196.250 0.858 20 0 ACADLO Cc1nc(C[N@H+]2CC[C@H]2CO)oc1C 934025977 629872234 /nfs/dbraw/zinc/87/22/34/629872234.db2.gz ILYNRASQVWVRSI-VIFPVBQESA-N 1 2 196.250 0.858 20 0 ACADLO Cc1nc(C[N@@H+]2CC[C@@H]2CO)oc1C 934025975 629872914 /nfs/dbraw/zinc/87/29/14/629872914.db2.gz ILYNRASQVWVRSI-SECBINFHSA-N 1 2 196.250 0.858 20 0 ACADLO Cc1nc(C[N@H+]2CC[C@@H]2CO)oc1C 934025975 629872917 /nfs/dbraw/zinc/87/29/17/629872917.db2.gz ILYNRASQVWVRSI-SECBINFHSA-N 1 2 196.250 0.858 20 0 ACADLO CC[C@H](C(=O)OC)[N@@H+]1CC[C@H]1CO 934014897 629873402 /nfs/dbraw/zinc/87/34/02/629873402.db2.gz PIQRUWOLJCPGAL-JGVFFNPUSA-N 1 2 187.239 0.005 20 0 ACADLO CC[C@H](C(=O)OC)[N@H+]1CC[C@H]1CO 934014897 629873406 /nfs/dbraw/zinc/87/34/06/629873406.db2.gz PIQRUWOLJCPGAL-JGVFFNPUSA-N 1 2 187.239 0.005 20 0 ACADLO CCOC(=O)[C@@H](C)[N@H+]1CC[C@@H]1CO 934023243 629875511 /nfs/dbraw/zinc/87/55/11/629875511.db2.gz DXFUFVSCSZNAQV-HTQZYQBOSA-N 1 2 187.239 0.005 20 0 ACADLO CCOC(=O)[C@H](C)[N@@H+]1CC[C@H]1CO 934023247 629874966 /nfs/dbraw/zinc/87/49/66/629874966.db2.gz DXFUFVSCSZNAQV-YUMQZZPRSA-N 1 2 187.239 0.005 20 0 ACADLO CCOC(=O)[C@H](C)[N@H+]1CC[C@H]1CO 934023247 629874973 /nfs/dbraw/zinc/87/49/73/629874973.db2.gz DXFUFVSCSZNAQV-YUMQZZPRSA-N 1 2 187.239 0.005 20 0 ACADLO Cc1cnc(C[N@@H+]2CC[C@H]2CO)cn1 934023621 629875292 /nfs/dbraw/zinc/87/52/92/629875292.db2.gz KIADELNVGQYUPM-JTQLQIEISA-N 1 2 193.250 0.352 20 0 ACADLO Cc1cnc(C[N@H+]2CC[C@H]2CO)cn1 934023621 629875294 /nfs/dbraw/zinc/87/52/94/629875294.db2.gz KIADELNVGQYUPM-JTQLQIEISA-N 1 2 193.250 0.352 20 0 ACADLO OC[C@H]1CC[N@@H+]1Cc1cccc(F)n1 934020147 629875448 /nfs/dbraw/zinc/87/54/48/629875448.db2.gz WYTKUVXXMYFAFG-SECBINFHSA-N 1 2 196.225 0.787 20 0 ACADLO OC[C@H]1CC[N@H+]1Cc1cccc(F)n1 934020147 629875449 /nfs/dbraw/zinc/87/54/49/629875449.db2.gz WYTKUVXXMYFAFG-SECBINFHSA-N 1 2 196.225 0.787 20 0 ACADLO CCOC(=O)[C@@H](C)[N@@H+]1CC[C@@H]1CO 934023243 629875508 /nfs/dbraw/zinc/87/55/08/629875508.db2.gz DXFUFVSCSZNAQV-HTQZYQBOSA-N 1 2 187.239 0.005 20 0 ACADLO OC[C@H]1CC[N@@H+]1Cc1ccncc1F 934017900 629875754 /nfs/dbraw/zinc/87/57/54/629875754.db2.gz IQZJRBAPGXHSBD-SECBINFHSA-N 1 2 196.225 0.787 20 0 ACADLO OC[C@H]1CC[N@H+]1Cc1ccncc1F 934017900 629875757 /nfs/dbraw/zinc/87/57/57/629875757.db2.gz IQZJRBAPGXHSBD-SECBINFHSA-N 1 2 196.225 0.787 20 0 ACADLO CCOC(=O)[C@H](C)[N@@H+]1CC[C@@H]1CO 934023244 629875795 /nfs/dbraw/zinc/87/57/95/629875795.db2.gz DXFUFVSCSZNAQV-JGVFFNPUSA-N 1 2 187.239 0.005 20 0 ACADLO CCOC(=O)[C@H](C)[N@H+]1CC[C@@H]1CO 934023244 629875797 /nfs/dbraw/zinc/87/57/97/629875797.db2.gz DXFUFVSCSZNAQV-JGVFFNPUSA-N 1 2 187.239 0.005 20 0 ACADLO Cc1cnc(C[N@@H+]2CC[C@@H]2CO)cn1 934023622 629875866 /nfs/dbraw/zinc/87/58/66/629875866.db2.gz KIADELNVGQYUPM-SNVBAGLBSA-N 1 2 193.250 0.352 20 0 ACADLO Cc1cnc(C[N@H+]2CC[C@@H]2CO)cn1 934023622 629875870 /nfs/dbraw/zinc/87/58/70/629875870.db2.gz KIADELNVGQYUPM-SNVBAGLBSA-N 1 2 193.250 0.352 20 0 ACADLO OC[C@@H]1CC[N@H+]1Cc1cccc(F)n1 934020148 629876076 /nfs/dbraw/zinc/87/60/76/629876076.db2.gz WYTKUVXXMYFAFG-VIFPVBQESA-N 1 2 196.225 0.787 20 0 ACADLO OC[C@@H]1CC[N@@H+]1Cc1ccncc1F 934017902 629876198 /nfs/dbraw/zinc/87/61/98/629876198.db2.gz IQZJRBAPGXHSBD-VIFPVBQESA-N 1 2 196.225 0.787 20 0 ACADLO OC[C@@H]1CC[N@H+]1Cc1ccncc1F 934017902 629876199 /nfs/dbraw/zinc/87/61/99/629876199.db2.gz IQZJRBAPGXHSBD-VIFPVBQESA-N 1 2 196.225 0.787 20 0 ACADLO CCOC(=O)[C@@H](C)[N@@H+]1CC[C@H]1CO 934023245 629876752 /nfs/dbraw/zinc/87/67/52/629876752.db2.gz DXFUFVSCSZNAQV-SFYZADRCSA-N 1 2 187.239 0.005 20 0 ACADLO CCOC(=O)[C@@H](C)[N@H+]1CC[C@H]1CO 934023245 629876754 /nfs/dbraw/zinc/87/67/54/629876754.db2.gz DXFUFVSCSZNAQV-SFYZADRCSA-N 1 2 187.239 0.005 20 0 ACADLO Cc1cnc(C[NH2+][C@H]2CCN(C)C2)o1 228824116 629899473 /nfs/dbraw/zinc/89/94/73/629899473.db2.gz JQMCDGRWCOIOTH-VIFPVBQESA-N 1 2 195.266 0.777 20 0 ACADLO CC[N@@H+]1CCSC[C@@H]1C(=O)OC 259893403 629899709 /nfs/dbraw/zinc/89/97/09/629899709.db2.gz WQDOFANGUIQMFH-SSDOTTSWSA-N 1 2 189.280 0.597 20 0 ACADLO CC[N@H+]1CCSC[C@@H]1C(=O)OC 259893403 629899715 /nfs/dbraw/zinc/89/97/15/629899715.db2.gz WQDOFANGUIQMFH-SSDOTTSWSA-N 1 2 189.280 0.597 20 0 ACADLO Cc1noc(C[N@H+]2C[C@@H](O)C[C@H]2C)n1 306182346 629914425 /nfs/dbraw/zinc/91/44/25/629914425.db2.gz VQCRIBDPTWXNNY-SVRRBLITSA-N 1 2 197.238 0.333 20 0 ACADLO Cc1noc(C[N@@H+]2C[C@@H](O)C[C@H]2C)n1 306182346 629914435 /nfs/dbraw/zinc/91/44/35/629914435.db2.gz VQCRIBDPTWXNNY-SVRRBLITSA-N 1 2 197.238 0.333 20 0 ACADLO Cc1noc(C[N@H+]2C[C@H](O)C[C@@H]2C)n1 306182345 629914888 /nfs/dbraw/zinc/91/48/88/629914888.db2.gz VQCRIBDPTWXNNY-POYBYMJQSA-N 1 2 197.238 0.333 20 0 ACADLO Cc1noc(C[N@@H+]2C[C@H](O)C[C@@H]2C)n1 306182345 629914898 /nfs/dbraw/zinc/91/48/98/629914898.db2.gz VQCRIBDPTWXNNY-POYBYMJQSA-N 1 2 197.238 0.333 20 0 ACADLO Cc1noc(C[N@H+]2C[C@@H](O)C[C@@H]2C)n1 306182347 629915063 /nfs/dbraw/zinc/91/50/63/629915063.db2.gz VQCRIBDPTWXNNY-XPUUQOCRSA-N 1 2 197.238 0.333 20 0 ACADLO Cc1noc(C[N@@H+]2C[C@@H](O)C[C@@H]2C)n1 306182347 629915069 /nfs/dbraw/zinc/91/50/69/629915069.db2.gz VQCRIBDPTWXNNY-XPUUQOCRSA-N 1 2 197.238 0.333 20 0 ACADLO Cc1noc(C[N@H+]2C[C@H](O)C[C@H]2C)n1 306182344 629915354 /nfs/dbraw/zinc/91/53/54/629915354.db2.gz VQCRIBDPTWXNNY-HTRCEHHLSA-N 1 2 197.238 0.333 20 0 ACADLO Cc1noc(C[N@@H+]2C[C@H](O)C[C@H]2C)n1 306182344 629915358 /nfs/dbraw/zinc/91/53/58/629915358.db2.gz VQCRIBDPTWXNNY-HTRCEHHLSA-N 1 2 197.238 0.333 20 0 ACADLO COCc1noc([C@@H](C)[NH+](C)C)n1 923775822 629920669 /nfs/dbraw/zinc/92/06/69/629920669.db2.gz CJKAWSFFLVXEFS-ZCFIWIBFSA-N 1 2 185.227 0.839 20 0 ACADLO Cc1nonc1[C@@H](C)[NH2+]C/C=C\CO 926690069 629929745 /nfs/dbraw/zinc/92/97/45/629929745.db2.gz URLSRVQTASQMOX-KFOINNEUSA-N 1 2 197.238 0.577 20 0 ACADLO Cc1nonc1[C@@H](C)[NH2+]C/C=C/CO 926690070 629930399 /nfs/dbraw/zinc/93/03/99/629930399.db2.gz URLSRVQTASQMOX-KGGZQZJCSA-N 1 2 197.238 0.577 20 0 ACADLO C[C@@H]([NH2+]C/C=C\CO)c1ncco1 926687873 629931630 /nfs/dbraw/zinc/93/16/30/629931630.db2.gz CMTCLSKJRKPSMW-YAJNLLPGSA-N 1 2 182.223 0.874 20 0 ACADLO C[C@H]([NH2+]C/C=C\CO)c1ncco1 926687870 629934323 /nfs/dbraw/zinc/93/43/23/629934323.db2.gz CMTCLSKJRKPSMW-KZUAUGPASA-N 1 2 182.223 0.874 20 0 ACADLO C[C@@H]([NH2+]C/C=C/CO)c1ncco1 926687872 629934977 /nfs/dbraw/zinc/93/49/77/629934977.db2.gz CMTCLSKJRKPSMW-UFUPEUMYSA-N 1 2 182.223 0.874 20 0 ACADLO Cc1nonc1[C@H](C)[NH2+]C/C=C/CO 926690071 629935665 /nfs/dbraw/zinc/93/56/65/629935665.db2.gz URLSRVQTASQMOX-SDLBARTOSA-N 1 2 197.238 0.577 20 0 ACADLO Cc1nonc1[C@H](C)[NH2+]C/C=C\CO 926690068 629936039 /nfs/dbraw/zinc/93/60/39/629936039.db2.gz URLSRVQTASQMOX-AVALRIAPSA-N 1 2 197.238 0.577 20 0 ACADLO C[C@H]([NH2+]C/C=C/CO)c1ncco1 926687871 629936153 /nfs/dbraw/zinc/93/61/53/629936153.db2.gz CMTCLSKJRKPSMW-SGJFDWMWSA-N 1 2 182.223 0.874 20 0 ACADLO COCC[N@H+](C)Cc1ncccn1 393725212 629948234 /nfs/dbraw/zinc/94/82/34/629948234.db2.gz YKNXEYVFADRKRE-UHFFFAOYSA-N 1 2 181.239 0.555 20 0 ACADLO COCC[N@@H+](C)Cc1ncccn1 393725212 629948238 /nfs/dbraw/zinc/94/82/38/629948238.db2.gz YKNXEYVFADRKRE-UHFFFAOYSA-N 1 2 181.239 0.555 20 0 ACADLO OC[C@@]12C[C@@H]1C[N@H+](Cc1ccon1)C2 782629848 629953429 /nfs/dbraw/zinc/95/34/29/629953429.db2.gz WDFVPQQUWNVARK-SCZZXKLOSA-N 1 2 194.234 0.489 20 0 ACADLO OC[C@@]12C[C@@H]1C[N@@H+](Cc1ccon1)C2 782629848 629953443 /nfs/dbraw/zinc/95/34/43/629953443.db2.gz WDFVPQQUWNVARK-SCZZXKLOSA-N 1 2 194.234 0.489 20 0 ACADLO OC[C@]12C[C@H]1C[N@H+](Cc1ccon1)C2 782629849 629956793 /nfs/dbraw/zinc/95/67/93/629956793.db2.gz WDFVPQQUWNVARK-WCBMZHEXSA-N 1 2 194.234 0.489 20 0 ACADLO OC[C@]12C[C@H]1C[N@@H+](Cc1ccon1)C2 782629849 629956795 /nfs/dbraw/zinc/95/67/95/629956795.db2.gz WDFVPQQUWNVARK-WCBMZHEXSA-N 1 2 194.234 0.489 20 0 ACADLO CC[NH2+]Cc1noc([C@@H](C)OC)n1 163923293 629961703 /nfs/dbraw/zinc/96/17/03/629961703.db2.gz DJCRWOLQIYCQLC-ZCFIWIBFSA-N 1 2 185.227 0.887 20 0 ACADLO COC(=O)[C@H](C)[NH2+][C@H]1CC[C@H]1C 308123662 629985038 /nfs/dbraw/zinc/98/50/38/629985038.db2.gz SRNKOSADAXHQKM-CSMHCCOUSA-N 1 2 171.240 0.936 20 0 ACADLO COC(=O)[C@@H](C)[NH2+][C@@H]1CC[C@H]1C 308123655 629985685 /nfs/dbraw/zinc/98/56/85/629985685.db2.gz SRNKOSADAXHQKM-BWZBUEFSSA-N 1 2 171.240 0.936 20 0 ACADLO CON(C)C(=O)CCc1[nH]cc[nH+]1 308497068 630012541 /nfs/dbraw/zinc/01/25/41/630012541.db2.gz UMEFKZOPDWDWJU-UHFFFAOYSA-N 1 2 183.211 0.362 20 0 ACADLO Cc1[nH]ncc1C[NH2+][C@H](CO)C1CC1 308729312 630020220 /nfs/dbraw/zinc/02/02/20/630020220.db2.gz IJWRMOKJLNYPQZ-SNVBAGLBSA-N 1 2 195.266 0.579 20 0 ACADLO CC[NH2+]Cc1noc(CCOC)n1 53732286 630035055 /nfs/dbraw/zinc/03/50/55/630035055.db2.gz BQWWFWVUHMPICU-UHFFFAOYSA-N 1 2 185.227 0.368 20 0 ACADLO CC[NH2+]Cc1noc(CCOCC)n1 53734160 630035514 /nfs/dbraw/zinc/03/55/14/630035514.db2.gz BYHFXUSYGNJQID-UHFFFAOYSA-N 1 2 199.254 0.758 20 0 ACADLO CNc1cc(N(C)[C@H](C)CO)nc[nH+]1 125595955 630047909 /nfs/dbraw/zinc/04/79/09/630047909.db2.gz SIDOAJMCFQBOPU-SSDOTTSWSA-N 1 2 196.254 0.335 20 0 ACADLO CNc1cc(N(C)[C@H](C)CO)[nH+]cn1 125595955 630047927 /nfs/dbraw/zinc/04/79/27/630047927.db2.gz SIDOAJMCFQBOPU-SSDOTTSWSA-N 1 2 196.254 0.335 20 0 ACADLO CC[N@@H+]1CCSC[C@H]1C(=O)OC 259893406 630053627 /nfs/dbraw/zinc/05/36/27/630053627.db2.gz WQDOFANGUIQMFH-ZETCQYMHSA-N 1 2 189.280 0.597 20 0 ACADLO CC[N@H+]1CCSC[C@H]1C(=O)OC 259893406 630053632 /nfs/dbraw/zinc/05/36/32/630053632.db2.gz WQDOFANGUIQMFH-ZETCQYMHSA-N 1 2 189.280 0.597 20 0 ACADLO Cc1noc(C2([NH+](C)C)CC2)n1 218773583 630053701 /nfs/dbraw/zinc/05/37/01/630053701.db2.gz MICCPCBGUBOYJH-UHFFFAOYSA-N 1 2 167.212 0.929 20 0 ACADLO Cn1c[nH+]cc1CNC(=O)C1(C)CC1 336400015 630078995 /nfs/dbraw/zinc/07/89/95/630078995.db2.gz BYGZYVKGDHOTOY-UHFFFAOYSA-N 1 2 193.250 0.836 20 0 ACADLO COC(=O)N1CCn2c[nH+]cc2C1 306153410 630081737 /nfs/dbraw/zinc/08/17/37/630081737.db2.gz BAKUUQSZYHQGEJ-UHFFFAOYSA-N 1 2 181.195 0.465 20 0 ACADLO FCC[NH2+]Cc1cnc[nH]1 306218954 630085802 /nfs/dbraw/zinc/08/58/02/630085802.db2.gz PFZFJSYDXWWIED-UHFFFAOYSA-N 1 2 143.165 0.469 20 0 ACADLO Cc1[nH+]c[nH]c1CNC(=O)C(F)F 306228595 630089966 /nfs/dbraw/zinc/08/99/66/630089966.db2.gz IGYPSBPNLUOPSM-UHFFFAOYSA-N 1 2 189.165 0.599 20 0 ACADLO O=C1OCC[C@H]1[NH2+]C1(C2CC2)CC1 306268926 630093670 /nfs/dbraw/zinc/09/36/70/630093670.db2.gz LQHHPCMXYCNDEL-MRVPVSSYSA-N 1 2 181.235 0.834 20 0 ACADLO Cc1[nH]ncc1[C@H](C)[NH2+][C@@H]1CC[C@H]1O 306321602 630095788 /nfs/dbraw/zinc/09/57/88/630095788.db2.gz CCYUHPLUSNGVNX-WQGWLQIFSA-N 1 2 195.266 0.892 20 0 ACADLO Cc1[nH]ncc1[C@@H](C)[NH2+][C@@H]1CC[C@H]1O 306321601 630096543 /nfs/dbraw/zinc/09/65/43/630096543.db2.gz CCYUHPLUSNGVNX-BDODKLCJSA-N 1 2 195.266 0.892 20 0 ACADLO CCNC(=S)NCc1c[nH+]cn1C 306360248 630099258 /nfs/dbraw/zinc/09/92/58/630099258.db2.gz MEDKMTDBJDCWQA-UHFFFAOYSA-N 1 2 198.295 0.404 20 0 ACADLO NC(=O)[C@H]1CCCC[N@@H+]1CCF 306372052 630101685 /nfs/dbraw/zinc/10/16/85/630101685.db2.gz JMWMUNUGWOZKRC-SSDOTTSWSA-N 1 2 174.219 0.296 20 0 ACADLO NC(=O)[C@H]1CCCC[N@H+]1CCF 306372052 630101690 /nfs/dbraw/zinc/10/16/90/630101690.db2.gz JMWMUNUGWOZKRC-SSDOTTSWSA-N 1 2 174.219 0.296 20 0 ACADLO CC(C)[NH+]1CC(NC(=O)C(F)F)C1 306400409 630102594 /nfs/dbraw/zinc/10/25/94/630102594.db2.gz OMSJKVRHODWPCJ-UHFFFAOYSA-N 1 2 192.209 0.460 20 0 ACADLO NC(=O)[C@@H]1CCCC[N@@H+]1CCF 306372053 630103614 /nfs/dbraw/zinc/10/36/14/630103614.db2.gz JMWMUNUGWOZKRC-ZETCQYMHSA-N 1 2 174.219 0.296 20 0 ACADLO NC(=O)[C@@H]1CCCC[N@H+]1CCF 306372053 630103616 /nfs/dbraw/zinc/10/36/16/630103616.db2.gz JMWMUNUGWOZKRC-ZETCQYMHSA-N 1 2 174.219 0.296 20 0 ACADLO C[NH+]1CCN(Cc2cnns2)CC1 306374456 630103634 /nfs/dbraw/zinc/10/36/34/630103634.db2.gz ULSRFIUBOWHDQT-UHFFFAOYSA-N 1 2 198.295 0.286 20 0 ACADLO FCC[N@@H+]1CCC2(C1)OCCO2 306409601 630106330 /nfs/dbraw/zinc/10/63/30/630106330.db2.gz YRPDQJWWOVITDF-UHFFFAOYSA-N 1 2 175.203 0.405 20 0 ACADLO FCC[N@H+]1CCC2(C1)OCCO2 306409601 630106338 /nfs/dbraw/zinc/10/63/38/630106338.db2.gz YRPDQJWWOVITDF-UHFFFAOYSA-N 1 2 175.203 0.405 20 0 ACADLO C/C=C/C(=O)NCc1c[nH+]cn1C 306411220 630107079 /nfs/dbraw/zinc/10/70/79/630107079.db2.gz KBUOXFOPPARSOA-ONEGZZNKSA-N 1 2 179.223 0.612 20 0 ACADLO CC(=O)OCc1cc[nH+]c(N)c1 306454232 630110825 /nfs/dbraw/zinc/11/08/25/630110825.db2.gz ZERLNINBXPZGIQ-UHFFFAOYSA-N 1 2 166.180 0.727 20 0 ACADLO COC(=O)NCc1c[nH+]cn1C 306443415 630111098 /nfs/dbraw/zinc/11/10/98/630111098.db2.gz MRCLDYIDHXTIQT-UHFFFAOYSA-N 1 2 169.184 0.276 20 0 ACADLO Cn1c[nH+]cc1CNC(=O)C1CC1 306469173 630111525 /nfs/dbraw/zinc/11/15/25/630111525.db2.gz OKUKXEUTLKDGNS-UHFFFAOYSA-N 1 2 179.223 0.446 20 0 ACADLO Cn1ncc(CNc2cccc[nH+]2)n1 306599361 630126154 /nfs/dbraw/zinc/12/61/54/630126154.db2.gz YITZOLYFYZITDI-UHFFFAOYSA-N 1 2 189.222 0.822 20 0 ACADLO Cn1c[nH+]cc1CNC(=O)C(F)F 306634712 630126687 /nfs/dbraw/zinc/12/66/87/630126687.db2.gz WUBKPYXMTCSVQZ-UHFFFAOYSA-N 1 2 189.165 0.301 20 0 ACADLO C[C@@H]1c2nncn2CC[N@H+]1CCF 306673843 630128762 /nfs/dbraw/zinc/12/87/62/630128762.db2.gz OPRXOQDULBNIAN-SSDOTTSWSA-N 1 2 184.218 0.624 20 0 ACADLO C[C@@H]1c2nncn2CC[N@@H+]1CCF 306673843 630128770 /nfs/dbraw/zinc/12/87/70/630128770.db2.gz OPRXOQDULBNIAN-SSDOTTSWSA-N 1 2 184.218 0.624 20 0 ACADLO C[C@H]1c2nncn2CC[N@H+]1CCF 306673844 630129706 /nfs/dbraw/zinc/12/97/06/630129706.db2.gz OPRXOQDULBNIAN-ZETCQYMHSA-N 1 2 184.218 0.624 20 0 ACADLO C[C@H]1c2nncn2CC[N@@H+]1CCF 306673844 630129712 /nfs/dbraw/zinc/12/97/12/630129712.db2.gz OPRXOQDULBNIAN-ZETCQYMHSA-N 1 2 184.218 0.624 20 0 ACADLO CON(C)Cc1c[nH+]cn1C 306690020 630130059 /nfs/dbraw/zinc/13/00/59/630130059.db2.gz LRYQISMNJKYKJW-UHFFFAOYSA-N 1 2 155.201 0.413 20 0 ACADLO C[N@H+](C/C=C/Cl)[C@@H]1CCNC1=O 306686713 630130210 /nfs/dbraw/zinc/13/02/10/630130210.db2.gz GJTHDNKTLQOIMT-NUOXCJHRSA-N 1 2 188.658 0.559 20 0 ACADLO C[N@@H+](C/C=C/Cl)[C@@H]1CCNC1=O 306686713 630130214 /nfs/dbraw/zinc/13/02/14/630130214.db2.gz GJTHDNKTLQOIMT-NUOXCJHRSA-N 1 2 188.658 0.559 20 0 ACADLO C[C@@H]1CC[N@H+](CCF)[C@H](C(N)=O)C1 306823238 630133484 /nfs/dbraw/zinc/13/34/84/630133484.db2.gz PLWQTBZADCFOFK-SFYZADRCSA-N 1 2 188.246 0.542 20 0 ACADLO C[C@@H]1CC[N@@H+](CCF)[C@H](C(N)=O)C1 306823238 630133485 /nfs/dbraw/zinc/13/34/85/630133485.db2.gz PLWQTBZADCFOFK-SFYZADRCSA-N 1 2 188.246 0.542 20 0 ACADLO C[C@@H]1CC[N@H+](CCF)[C@@H](C(N)=O)C1 306823236 630133947 /nfs/dbraw/zinc/13/39/47/630133947.db2.gz PLWQTBZADCFOFK-HTQZYQBOSA-N 1 2 188.246 0.542 20 0 ACADLO C[C@@H]1CC[N@@H+](CCF)[C@@H](C(N)=O)C1 306823236 630133951 /nfs/dbraw/zinc/13/39/51/630133951.db2.gz PLWQTBZADCFOFK-HTQZYQBOSA-N 1 2 188.246 0.542 20 0 ACADLO C[C@H]1CC[N@H+](CCF)[C@H](C(N)=O)C1 306823239 630134824 /nfs/dbraw/zinc/13/48/24/630134824.db2.gz PLWQTBZADCFOFK-YUMQZZPRSA-N 1 2 188.246 0.542 20 0 ACADLO C[C@H]1CC[N@@H+](CCF)[C@H](C(N)=O)C1 306823239 630134829 /nfs/dbraw/zinc/13/48/29/630134829.db2.gz PLWQTBZADCFOFK-YUMQZZPRSA-N 1 2 188.246 0.542 20 0 ACADLO C[C@H]1CC[N@H+](CCF)[C@@H](C(N)=O)C1 306823237 630135621 /nfs/dbraw/zinc/13/56/21/630135621.db2.gz PLWQTBZADCFOFK-JGVFFNPUSA-N 1 2 188.246 0.542 20 0 ACADLO C[C@H]1CC[N@@H+](CCF)[C@@H](C(N)=O)C1 306823237 630135627 /nfs/dbraw/zinc/13/56/27/630135627.db2.gz PLWQTBZADCFOFK-JGVFFNPUSA-N 1 2 188.246 0.542 20 0 ACADLO Cc1nc2n(n1)CC[N@H+](CCF)C2 306924467 630138186 /nfs/dbraw/zinc/13/81/86/630138186.db2.gz JJBNNGCYKTVTKH-UHFFFAOYSA-N 1 2 184.218 0.372 20 0 ACADLO Cc1nc2n(n1)CC[N@@H+](CCF)C2 306924467 630138190 /nfs/dbraw/zinc/13/81/90/630138190.db2.gz JJBNNGCYKTVTKH-UHFFFAOYSA-N 1 2 184.218 0.372 20 0 ACADLO CNc1cc(N2C[C@H]3C[C@H]3C2)nc[nH+]1 307164070 630147940 /nfs/dbraw/zinc/14/79/40/630147940.db2.gz GJEWLNVFDSEKFC-OCAPTIKFSA-N 1 2 190.250 0.974 20 0 ACADLO CNc1cc(N2C[C@H]3C[C@H]3C2)[nH+]cn1 307164070 630147942 /nfs/dbraw/zinc/14/79/42/630147942.db2.gz GJEWLNVFDSEKFC-OCAPTIKFSA-N 1 2 190.250 0.974 20 0 ACADLO Cn1c[nH+]cc1CNc1nncn1C 307111993 630148033 /nfs/dbraw/zinc/14/80/33/630148033.db2.gz LSRZIICHVWMNJU-UHFFFAOYSA-N 1 2 192.226 0.161 20 0 ACADLO NC(=O)C[N@@H+]1CC[C@@H](C(F)(F)F)C1 307170856 630148365 /nfs/dbraw/zinc/14/83/65/630148365.db2.gz BLDDOECRPFUIAN-RXMQYKEDSA-N 1 2 196.172 0.356 20 0 ACADLO NC(=O)C[N@H+]1CC[C@@H](C(F)(F)F)C1 307170856 630148369 /nfs/dbraw/zinc/14/83/69/630148369.db2.gz BLDDOECRPFUIAN-RXMQYKEDSA-N 1 2 196.172 0.356 20 0 ACADLO NC(=O)C[N@@H+]1CC[C@H](C(F)(F)F)C1 307170861 630148901 /nfs/dbraw/zinc/14/89/01/630148901.db2.gz BLDDOECRPFUIAN-YFKPBYRVSA-N 1 2 196.172 0.356 20 0 ACADLO NC(=O)C[N@H+]1CC[C@H](C(F)(F)F)C1 307170861 630148907 /nfs/dbraw/zinc/14/89/07/630148907.db2.gz BLDDOECRPFUIAN-YFKPBYRVSA-N 1 2 196.172 0.356 20 0 ACADLO C[C@@H]1COCC[N@@H+]1CCF 307180409 630152919 /nfs/dbraw/zinc/15/29/19/630152919.db2.gz JQWLTGFOTDFZOP-SSDOTTSWSA-N 1 2 147.193 0.677 20 0 ACADLO C[C@@H]1COCC[N@H+]1CCF 307180409 630152926 /nfs/dbraw/zinc/15/29/26/630152926.db2.gz JQWLTGFOTDFZOP-SSDOTTSWSA-N 1 2 147.193 0.677 20 0 ACADLO C[C@H]1COCC[N@@H+]1CCF 307180410 630153240 /nfs/dbraw/zinc/15/32/40/630153240.db2.gz JQWLTGFOTDFZOP-ZETCQYMHSA-N 1 2 147.193 0.677 20 0 ACADLO C[C@H]1COCC[N@H+]1CCF 307180410 630153243 /nfs/dbraw/zinc/15/32/43/630153243.db2.gz JQWLTGFOTDFZOP-ZETCQYMHSA-N 1 2 147.193 0.677 20 0 ACADLO 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/nfs/dbraw/zinc/22/71/68/630227168.db2.gz YPXXATSJMITGPW-UHFFFAOYSA-N 1 2 182.223 0.753 20 0 ACADLO COCC1C[NH+](Cc2cc[nH]n2)C1 895971544 630227259 /nfs/dbraw/zinc/22/72/59/630227259.db2.gz SJGBFEKFYHQABI-UHFFFAOYSA-N 1 2 181.239 0.488 20 0 ACADLO COCC1C[NH+](Cc2ccn(C)n2)C1 895971520 630227574 /nfs/dbraw/zinc/22/75/74/630227574.db2.gz RWPXHRZMCOGJLS-UHFFFAOYSA-N 1 2 195.266 0.498 20 0 ACADLO COCC1C[NH+](Cc2[nH]ncc2C)C1 895969853 630227876 /nfs/dbraw/zinc/22/78/76/630227876.db2.gz OEFNSBPANIRDKK-UHFFFAOYSA-N 1 2 195.266 0.796 20 0 ACADLO COCc1noc(C2([NH+](C)C)CC2)n1 895966825 630227958 /nfs/dbraw/zinc/22/79/58/630227958.db2.gz SPCZAEDVCHTEGK-UHFFFAOYSA-N 1 2 197.238 0.767 20 0 ACADLO Cc1cc(N2CCOCN2)[nH+]c(C)n1 895921894 630229991 /nfs/dbraw/zinc/22/99/91/630229991.db2.gz COPCBSMJBCKCNQ-UHFFFAOYSA-N 1 2 194.238 0.392 20 0 ACADLO COCC1C[NH+](Cc2c[nH]cn2)C1 895975050 630232376 /nfs/dbraw/zinc/23/23/76/630232376.db2.gz OMKCKXGHWPZITD-UHFFFAOYSA-N 1 2 181.239 0.488 20 0 ACADLO CCc1noc(Cc2c[nH+]cn2C)n1 350406058 630261089 /nfs/dbraw/zinc/26/10/89/630261089.db2.gz YKURQGVCOHRLRD-UHFFFAOYSA-N 1 2 192.222 0.956 20 0 ACADLO CCC(=O)CNC(=O)Cc1c[nH]c[nH+]1 901260464 630746142 /nfs/dbraw/zinc/74/61/42/630746142.db2.gz NOBFIEAZTFRIKH-UHFFFAOYSA-N 1 2 195.222 0.048 20 0 ACADLO COC[C@H]([NH3+])c1nc(C2CC2)no1 88001098 630747261 /nfs/dbraw/zinc/74/72/61/630747261.db2.gz VAXFQCITLCWBLI-LURJTMIESA-N 1 2 183.211 0.593 20 0 ACADLO COC[C@H]([NH3+])c1nc(CC(C)C)no1 88001077 630747864 /nfs/dbraw/zinc/74/78/64/630747864.db2.gz FZGCYZVADXSHCZ-ZETCQYMHSA-N 1 2 199.254 0.914 20 0 ACADLO COC[C@H]([NH3+])c1nc(C(C)C)no1 88001083 630748073 /nfs/dbraw/zinc/74/80/73/630748073.db2.gz OXQXHSFVEYFXBL-LURJTMIESA-N 1 2 185.227 0.839 20 0 ACADLO CC[C@@H](CO)[NH2+][C@@H](CC)C(=O)OC 163994327 630750584 /nfs/dbraw/zinc/75/05/84/630750584.db2.gz OWKBEUOOUISOHF-YUMQZZPRSA-N 1 2 189.255 0.299 20 0 ACADLO CC[C@@H]1C[C@H]1NC(=O)Cc1c[nH]c[nH+]1 907952385 630756754 /nfs/dbraw/zinc/75/67/54/630756754.db2.gz XUOANOQRVLPNFO-VXNVDRBHSA-N 1 2 193.250 0.867 20 0 ACADLO C/C=C\C(=O)NCCCn1cc[nH+]c1 211362615 630756991 /nfs/dbraw/zinc/75/69/91/630756991.db2.gz KALMZBNTTOXDCC-RQOWECAXSA-N 1 2 193.250 0.966 20 0 ACADLO CC1(C)CN(C(=O)Cc2c[nH+]c[nH]2)C1 907845335 630758137 /nfs/dbraw/zinc/75/81/37/630758137.db2.gz XCUQCQSRJIKRAU-UHFFFAOYSA-N 1 2 193.250 0.821 20 0 ACADLO CCON(CC)C(=O)Cc1c[nH+]c[nH]1 913786269 630759225 /nfs/dbraw/zinc/75/92/25/630759225.db2.gz ONJKRTVVSVTCSP-UHFFFAOYSA-N 1 2 197.238 0.752 20 0 ACADLO O=C(Cc1c[nH+]c[nH]1)N1CCCCN1 908152875 630761105 /nfs/dbraw/zinc/76/11/05/630761105.db2.gz OZKFFORJUBQOKJ-UHFFFAOYSA-N 1 2 194.238 0.079 20 0 ACADLO CC[C@@H]1C[C@H]1C(=O)NC1C[NH+](CC)C1 1030980062 630761834 /nfs/dbraw/zinc/76/18/34/630761834.db2.gz XJXDQASRUSFOQP-PSASIEDQSA-N 1 2 196.294 0.853 20 0 ACADLO O=C(Cc1c[nH+]c[nH]1)N1CCCOC1 908115845 630761892 /nfs/dbraw/zinc/76/18/92/630761892.db2.gz XBMWTYSQHCUIBY-UHFFFAOYSA-N 1 2 195.222 0.159 20 0 ACADLO C[C@H]1CCN1C(=O)Cc1[nH]cc[nH+]1 914155269 630762386 /nfs/dbraw/zinc/76/23/86/630762386.db2.gz XOHFHXMMWNGJKO-ZETCQYMHSA-N 1 2 179.223 0.573 20 0 ACADLO Cc1[nH+]c[nH]c1CC(=O)N1CC[C@@H]1C 914155963 630762637 /nfs/dbraw/zinc/76/26/37/630762637.db2.gz NOUICBOYDKQNEY-ZETCQYMHSA-N 1 2 193.250 0.881 20 0 ACADLO Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H]1C 914155962 630763455 /nfs/dbraw/zinc/76/34/55/630763455.db2.gz NOUICBOYDKQNEY-SSDOTTSWSA-N 1 2 193.250 0.881 20 0 ACADLO CC[NH+]1CC(NC(=O)[C@H]2CC23CC3)C1 1031009715 630763614 /nfs/dbraw/zinc/76/36/14/630763614.db2.gz LQVNMTAYGBQCOA-SECBINFHSA-N 1 2 194.278 0.607 20 0 ACADLO C[C@@H]1CCN1C(=O)Cc1[nH]cc[nH+]1 914155268 630763885 /nfs/dbraw/zinc/76/38/85/630763885.db2.gz XOHFHXMMWNGJKO-SSDOTTSWSA-N 1 2 179.223 0.573 20 0 ACADLO CC[NH+]1CC(NC(=O)[C@@H]2CC23CC3)C1 1031009716 630764223 /nfs/dbraw/zinc/76/42/23/630764223.db2.gz LQVNMTAYGBQCOA-VIFPVBQESA-N 1 2 194.278 0.607 20 0 ACADLO C[C@H]1CCN1C(=O)Cc1c[nH+]c[nH]1 914165527 630765326 /nfs/dbraw/zinc/76/53/26/630765326.db2.gz GPGXSFWGFHPZMR-ZETCQYMHSA-N 1 2 179.223 0.573 20 0 ACADLO C[C@@H]1CCN1C(=O)Cc1c[nH+]c[nH]1 914165526 630766635 /nfs/dbraw/zinc/76/66/35/630766635.db2.gz GPGXSFWGFHPZMR-SSDOTTSWSA-N 1 2 179.223 0.573 20 0 ACADLO C[C@@H]1CCCN1C(=O)Cc1c[nH+]c[nH]1 213327269 630775754 /nfs/dbraw/zinc/77/57/54/630775754.db2.gz UEJDLWLWTSCOAO-MRVPVSSYSA-N 1 2 193.250 0.963 20 0 ACADLO O=C(Cc1c[nH+]c[nH]1)N1CC[C@H](F)C1 908538852 630771713 /nfs/dbraw/zinc/77/17/13/630771713.db2.gz WRHKZTZJXPZCLZ-ZETCQYMHSA-N 1 2 197.213 0.523 20 0 ACADLO O=C(Cc1c[nH+]c[nH]1)N1CC2(CC2)C1 908519324 630772144 /nfs/dbraw/zinc/77/21/44/630772144.db2.gz DNTHJEVJKQSDJD-UHFFFAOYSA-N 1 2 191.234 0.575 20 0 ACADLO O=C(Cc1c[nH+]c[nH]1)N1CC[C@@H](F)C1 908538851 630772385 /nfs/dbraw/zinc/77/23/85/630772385.db2.gz WRHKZTZJXPZCLZ-SSDOTTSWSA-N 1 2 197.213 0.523 20 0 ACADLO CC[N@H+](CC(=O)NC)Cc1ccco1 915255262 630778474 /nfs/dbraw/zinc/77/84/74/630778474.db2.gz UZVBHTLOIQFYJX-UHFFFAOYSA-N 1 2 196.250 0.848 20 0 ACADLO CC[N@@H+](CC(=O)NC)Cc1ccco1 915255262 630778482 /nfs/dbraw/zinc/77/84/82/630778482.db2.gz UZVBHTLOIQFYJX-UHFFFAOYSA-N 1 2 196.250 0.848 20 0 ACADLO CONC(=O)N[C@@H](C)Cn1cc[nH+]c1 915758843 630779658 /nfs/dbraw/zinc/77/96/58/630779658.db2.gz GFKKAWUXWTUSCN-ZETCQYMHSA-N 1 2 198.226 0.132 20 0 ACADLO CONC(=O)N[C@H](C)Cn1cc[nH+]c1 915758842 630781002 /nfs/dbraw/zinc/78/10/02/630781002.db2.gz GFKKAWUXWTUSCN-SSDOTTSWSA-N 1 2 198.226 0.132 20 0 ACADLO Cc1ccccc1C(N)=[NH+]OCCO 732526739 630781088 /nfs/dbraw/zinc/78/10/88/630781088.db2.gz SJNMZFFRZQZWGL-UHFFFAOYSA-N 1 2 194.234 0.834 20 0 ACADLO CONC(=O)NCCCn1cc[nH+]c1 915675393 630781678 /nfs/dbraw/zinc/78/16/78/630781678.db2.gz MGEUREUSHOCJME-UHFFFAOYSA-N 1 2 198.226 0.134 20 0 ACADLO O=C(Cc1c[nH+]c[nH]1)N1CC=CC1 909997495 630790984 /nfs/dbraw/zinc/79/09/84/630790984.db2.gz XLNGTTAQAIJIKW-UHFFFAOYSA-N 1 2 177.207 0.351 20 0 ACADLO Cn1c[nH+]cc1CC(=O)N1CC=CC1 910014597 630795101 /nfs/dbraw/zinc/79/51/01/630795101.db2.gz 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630821207 /nfs/dbraw/zinc/82/12/07/630821207.db2.gz UHJBPZQOAJXZTB-UHFFFAOYSA-N 1 2 197.263 0.184 20 0 ACADLO CON(C)C(=O)CCCn1cc[nH+]c1 921055325 630821329 /nfs/dbraw/zinc/82/13/29/630821329.db2.gz IIKKQBISVQBWBD-UHFFFAOYSA-N 1 2 197.238 0.683 20 0 ACADLO CCONC(=O)CCCn1cc[nH+]c1 921058290 630822942 /nfs/dbraw/zinc/82/29/42/630822942.db2.gz BWIOWIMTSKWCJL-UHFFFAOYSA-N 1 2 197.238 0.731 20 0 ACADLO O=C(Cc1c[nH]c[nH+]1)NC1CSC1 912817893 630824481 /nfs/dbraw/zinc/82/44/81/630824481.db2.gz BIXRENCKGZSVOV-UHFFFAOYSA-N 1 2 197.263 0.184 20 0 ACADLO O=C(Cc1c[nH+]c[nH]1)N1C[C@H]2C[C@H]2C1 912984033 630825293 /nfs/dbraw/zinc/82/52/93/630825293.db2.gz LZKCIPGMXKXWJH-OCAPTIKFSA-N 1 2 191.234 0.431 20 0 ACADLO CCOC(=O)C[N@@H+]1CC[C@@H](OC)C1 233657473 630828690 /nfs/dbraw/zinc/82/86/90/630828690.db2.gz FEJCXEYEOLRONY-MRVPVSSYSA-N 1 2 187.239 0.270 20 0 ACADLO CCOC(=O)C[N@H+]1CC[C@@H](OC)C1 233657473 630828697 /nfs/dbraw/zinc/82/86/97/630828697.db2.gz FEJCXEYEOLRONY-MRVPVSSYSA-N 1 2 187.239 0.270 20 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/nfs/dbraw/zinc/84/55/07/630845507.db2.gz LYXPABMOCAPBCO-IUCAKERBSA-N 1 2 186.230 0.261 20 0 ACADLO CC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCF 1032240295 630845508 /nfs/dbraw/zinc/84/55/08/630845508.db2.gz LYXPABMOCAPBCO-IUCAKERBSA-N 1 2 186.230 0.261 20 0 ACADLO CC[NH+]1CC(NC(=O)c2ccon2)C1 1030135655 630846198 /nfs/dbraw/zinc/84/61/98/630846198.db2.gz WPABBYKQQKIGAY-UHFFFAOYSA-N 1 2 195.222 0.109 20 0 ACADLO Cc1nonc1C[N@@H+](C)C1CC1 734146715 630849811 /nfs/dbraw/zinc/84/98/11/630849811.db2.gz NIZDBTOQTIGDQP-UHFFFAOYSA-N 1 2 167.212 0.972 20 0 ACADLO Cc1nonc1C[N@H+](C)C1CC1 734146715 630849816 /nfs/dbraw/zinc/84/98/16/630849816.db2.gz NIZDBTOQTIGDQP-UHFFFAOYSA-N 1 2 167.212 0.972 20 0 ACADLO C[NH+]1CCN(Cc2nncs2)CC1 929233794 630860908 /nfs/dbraw/zinc/86/09/08/630860908.db2.gz KVLRFBLYPFZFEO-UHFFFAOYSA-N 1 2 198.295 0.286 20 0 ACADLO C/C=C\C(=O)N[C@@H](C)Cn1cc[nH+]c1 228155408 630861086 /nfs/dbraw/zinc/86/10/86/630861086.db2.gz RGQSMQFLQSQKDG-TYRPZCRBSA-N 1 2 193.250 0.964 20 0 ACADLO C/C=C\C(=O)N[C@H](C)Cn1cc[nH+]c1 228155419 630861352 /nfs/dbraw/zinc/86/13/52/630861352.db2.gz RGQSMQFLQSQKDG-ZBJFTSOASA-N 1 2 193.250 0.964 20 0 ACADLO Cc1cnc(C[NH2+][C@@H]2CCN(C)C2)o1 228824105 630865651 /nfs/dbraw/zinc/86/56/51/630865651.db2.gz JQMCDGRWCOIOTH-SECBINFHSA-N 1 2 195.266 0.777 20 0 ACADLO COCC(=O)OCc1ccc[nH+]c1N 922181621 630867564 /nfs/dbraw/zinc/86/75/64/630867564.db2.gz WAIKIRDEMDECAJ-UHFFFAOYSA-N 1 2 196.206 0.353 20 0 ACADLO CC[C@@H](O)CNc1cc(NC)nc[nH+]1 230058467 630872744 /nfs/dbraw/zinc/87/27/44/630872744.db2.gz RSYSAZNOIIVKSV-SSDOTTSWSA-N 1 2 196.254 0.701 20 0 ACADLO CCCNc1cc(NCCO)nc[nH+]1 87806552 630877309 /nfs/dbraw/zinc/87/73/09/630877309.db2.gz WKBATTHUABOUDE-UHFFFAOYSA-N 1 2 196.254 0.703 20 0 ACADLO CCCNc1cc(NCCO)[nH+]cn1 87806552 630877314 /nfs/dbraw/zinc/87/73/14/630877314.db2.gz WKBATTHUABOUDE-UHFFFAOYSA-N 1 2 196.254 0.703 20 0 ACADLO CCn1ccnc1C[N@H+](C)[C@H](C)CO 158899504 630878796 /nfs/dbraw/zinc/87/87/96/630878796.db2.gz GXHJZJBDWFIWJL-SECBINFHSA-N 1 2 197.282 0.716 20 0 ACADLO CCn1ccnc1C[N@@H+](C)[C@H](C)CO 158899504 630878803 /nfs/dbraw/zinc/87/88/03/630878803.db2.gz GXHJZJBDWFIWJL-SECBINFHSA-N 1 2 197.282 0.716 20 0 ACADLO CCO[C@H]1CC[N@H+](CC(=O)OC)C1 701828279 630885705 /nfs/dbraw/zinc/88/57/05/630885705.db2.gz FEEUZYVBYDOLDS-QMMMGPOBSA-N 1 2 187.239 0.270 20 0 ACADLO CCO[C@H]1CC[N@@H+](CC(=O)OC)C1 701828279 630885709 /nfs/dbraw/zinc/88/57/09/630885709.db2.gz FEEUZYVBYDOLDS-QMMMGPOBSA-N 1 2 187.239 0.270 20 0 ACADLO COC(=O)[C@H](C)[NH2+]C1CC(OC)C1 230696754 630886008 /nfs/dbraw/zinc/88/60/08/630886008.db2.gz DNOXZIBMHKSZGL-KKMMWDRVSA-N 1 2 187.239 0.315 20 0 ACADLO Cc1[nH]ncc1C[NH2+][C@H]1C[C@H](CO)C1 923007653 630890256 /nfs/dbraw/zinc/89/02/56/630890256.db2.gz MAADCGMYMRKQIH-CZMCAQCFSA-N 1 2 195.266 0.579 20 0 ACADLO OC[C@H]1C[C@H]([NH2+]Cc2ccn[nH]2)C1 923008168 630890890 /nfs/dbraw/zinc/89/08/90/630890890.db2.gz QDUWTOGGACIMQH-XWEPSHTISA-N 1 2 181.239 0.270 20 0 ACADLO COCC(=O)OCCc1c[nH+]cn1C 793251705 630926314 /nfs/dbraw/zinc/92/63/14/630926314.db2.gz URQXQQQILIOHKM-UHFFFAOYSA-N 1 2 198.222 0.152 20 0 ACADLO C=C=CCNC(=O)Cc1c[nH+]cn1C 848115184 630956346 /nfs/dbraw/zinc/95/63/46/630956346.db2.gz XWAARTOOSMTDSN-UHFFFAOYSA-N 1 2 191.234 0.420 20 0 ACADLO COC1CC[NH+](Cc2cnon2)CC1 851711147 630979453 /nfs/dbraw/zinc/97/94/53/630979453.db2.gz VUEMIVYBCXWZEX-UHFFFAOYSA-N 1 2 197.238 0.680 20 0 ACADLO C[C@@H]1[C@H](O)CC[N@@H+]1Cc1cnon1 852139714 630982907 /nfs/dbraw/zinc/98/29/07/630982907.db2.gz CCNXNWOHBZNPRZ-HTRCEHHLSA-N 1 2 183.211 0.025 20 0 ACADLO C[C@@H]1[C@H](O)CC[N@H+]1Cc1cnon1 852139714 630982914 /nfs/dbraw/zinc/98/29/14/630982914.db2.gz CCNXNWOHBZNPRZ-HTRCEHHLSA-N 1 2 183.211 0.025 20 0 ACADLO C[C@@H]1C[C@H](O)C[N@H+](Cc2cnon2)C1 852149159 630983016 /nfs/dbraw/zinc/98/30/16/630983016.db2.gz DLRCCUOMOUEAQU-APPZFPTMSA-N 1 2 197.238 0.272 20 0 ACADLO C[C@@H]1C[C@H](O)C[N@@H+](Cc2cnon2)C1 852149159 630983022 /nfs/dbraw/zinc/98/30/22/630983022.db2.gz DLRCCUOMOUEAQU-APPZFPTMSA-N 1 2 197.238 0.272 20 0 ACADLO CON1CC[NH+](Cc2cn[nH]c2)CC1 852145110 630983436 /nfs/dbraw/zinc/98/34/36/630983436.db2.gz YUDDJGIXWLSNDN-UHFFFAOYSA-N 1 2 196.254 0.089 20 0 ACADLO CSCCNC(=O)Cc1[nH]cc[nH+]1 854252341 630989035 /nfs/dbraw/zinc/98/90/35/630989035.db2.gz XIGOJKCFYGNNNY-UHFFFAOYSA-N 1 2 199.279 0.431 20 0 ACADLO C[N@H+](Cc1cnon1)CC1(C)COC1 859570700 631001207 /nfs/dbraw/zinc/00/12/07/631001207.db2.gz ACIAYSJBVMVNCY-UHFFFAOYSA-N 1 2 197.238 0.538 20 0 ACADLO C[N@@H+](Cc1cnon1)CC1(C)COC1 859570700 631001210 /nfs/dbraw/zinc/00/12/10/631001210.db2.gz ACIAYSJBVMVNCY-UHFFFAOYSA-N 1 2 197.238 0.538 20 0 ACADLO Cn1c[nH+]cc1CNC(=O)N1CCC1 204704244 631005532 /nfs/dbraw/zinc/00/55/32/631005532.db2.gz BFDUBTJSQAONRU-UHFFFAOYSA-N 1 2 194.238 0.335 20 0 ACADLO C[C@H]1CN(c2cccc[nH+]2)CC(=O)N1 334645924 524673770 /nfs/dbraw/zinc/67/37/70/524673770.db2.gz NCMINZIKZCSGAO-QMMMGPOBSA-N 1 2 191.234 0.406 20 0 ACADLO CN(CCCF)C(=O)Cc1[nH]cc[nH+]1 925545654 631043055 /nfs/dbraw/zinc/04/30/55/631043055.db2.gz BLRYLOLDJKMDBK-UHFFFAOYSA-N 1 2 199.229 0.770 20 0 ACADLO CN(CCCF)C(=O)Cc1c[nH+]c[nH]1 925555510 631044848 /nfs/dbraw/zinc/04/48/48/631044848.db2.gz CGTZHBQYVIXKOE-UHFFFAOYSA-N 1 2 199.229 0.770 20 0 ACADLO C[C@H]1C[C@H]([NH2+]CCF)c2ncnn21 926349111 631058861 /nfs/dbraw/zinc/05/88/61/631058861.db2.gz UCBRVRHNEQQQNT-BQBZGAKWSA-N 1 2 184.218 0.843 20 0 ACADLO C[C@H]1C[C@@H]([NH2+]CCF)c2ncnn21 926349112 631059659 /nfs/dbraw/zinc/05/96/59/631059659.db2.gz UCBRVRHNEQQQNT-NKWVEPMBSA-N 1 2 184.218 0.843 20 0 ACADLO C[C@@H]([NH2+]CCF)c1cnn(C)n1 926347652 631060581 /nfs/dbraw/zinc/06/05/81/631060581.db2.gz HSTWEMWJKNHHAO-ZCFIWIBFSA-N 1 2 172.207 0.435 20 0 ACADLO C[C@@H]1C[C@@H]([NH2+]CCF)c2ncnn21 926349113 631061058 /nfs/dbraw/zinc/06/10/58/631061058.db2.gz UCBRVRHNEQQQNT-RNFRBKRXSA-N 1 2 184.218 0.843 20 0 ACADLO C[C@@H]1C[C@H]([NH2+]CCF)c2ncnn21 926349114 631061142 /nfs/dbraw/zinc/06/11/42/631061142.db2.gz UCBRVRHNEQQQNT-RQJHMYQMSA-N 1 2 184.218 0.843 20 0 ACADLO C[C@H]([NH2+]CCF)c1cnn(C)n1 926347651 631061260 /nfs/dbraw/zinc/06/12/60/631061260.db2.gz HSTWEMWJKNHHAO-LURJTMIESA-N 1 2 172.207 0.435 20 0 ACADLO C[C@H]([NH2+][C@@H]1COC[C@H]1O)c1ncco1 926537091 631065899 /nfs/dbraw/zinc/06/58/99/631065899.db2.gz QKFVMIKXYJDWSI-XLPZGREQSA-N 1 2 198.222 0.085 20 0 ACADLO C[C@@H]([NH2+][C@@H]1COC[C@H]1O)c1ncco1 926537090 631066459 /nfs/dbraw/zinc/06/64/59/631066459.db2.gz QKFVMIKXYJDWSI-BWZBUEFSSA-N 1 2 198.222 0.085 20 0 ACADLO C[C@@H]([NH2+][C@@H]1COC[C@@H]1O)c1ncco1 926779157 631067300 /nfs/dbraw/zinc/06/73/00/631067300.db2.gz QKFVMIKXYJDWSI-PRJMDXOYSA-N 1 2 198.222 0.085 20 0 ACADLO C[C@H]([NH2+][C@@H]1COC[C@@H]1O)c1ncco1 926779158 631069281 /nfs/dbraw/zinc/06/92/81/631069281.db2.gz QKFVMIKXYJDWSI-RNJXMRFFSA-N 1 2 198.222 0.085 20 0 ACADLO C[C@@H](c1ncccn1)[N@H+](C)CCO 929245012 631085036 /nfs/dbraw/zinc/08/50/36/631085036.db2.gz RGVQROBTONJJAE-QMMMGPOBSA-N 1 2 181.239 0.462 20 0 ACADLO C[C@@H](c1ncccn1)[N@@H+](C)CCO 929245012 631085041 /nfs/dbraw/zinc/08/50/41/631085041.db2.gz RGVQROBTONJJAE-QMMMGPOBSA-N 1 2 181.239 0.462 20 0 ACADLO C[C@H](c1ncccn1)[N@@H+](C)CCO 929245011 631085819 /nfs/dbraw/zinc/08/58/19/631085819.db2.gz RGVQROBTONJJAE-MRVPVSSYSA-N 1 2 181.239 0.462 20 0 ACADLO C[C@H](c1ncccn1)[N@H+](C)CCO 929245011 631085813 /nfs/dbraw/zinc/08/58/13/631085813.db2.gz RGVQROBTONJJAE-MRVPVSSYSA-N 1 2 181.239 0.462 20 0 ACADLO OC[C@H]1CCC[N@@H+]1Cc1nncs1 929358847 631092157 /nfs/dbraw/zinc/09/21/57/631092157.db2.gz MVGREVWYNFDZKS-SSDOTTSWSA-N 1 2 199.279 0.495 20 0 ACADLO OC[C@H]1CCC[N@H+]1Cc1nncs1 929358847 631092161 /nfs/dbraw/zinc/09/21/61/631092161.db2.gz MVGREVWYNFDZKS-SSDOTTSWSA-N 1 2 199.279 0.495 20 0 ACADLO OC[C@@H]1CCC[N@H+]1Cc1nncs1 929521652 631097095 /nfs/dbraw/zinc/09/70/95/631097095.db2.gz MVGREVWYNFDZKS-ZETCQYMHSA-N 1 2 199.279 0.495 20 0 ACADLO OC[C@@H]1CCC[N@@H+]1Cc1nncs1 929521652 631097093 /nfs/dbraw/zinc/09/70/93/631097093.db2.gz MVGREVWYNFDZKS-ZETCQYMHSA-N 1 2 199.279 0.495 20 0 ACADLO C[C@]1(O)CC[N@H+](Cc2nncs2)C1 929789066 631101032 /nfs/dbraw/zinc/10/10/32/631101032.db2.gz POHPAFGTWBSPQE-QMMMGPOBSA-N 1 2 199.279 0.495 20 0 ACADLO C[C@]1(O)CC[N@@H+](Cc2nncs2)C1 929789066 631101034 /nfs/dbraw/zinc/10/10/34/631101034.db2.gz POHPAFGTWBSPQE-QMMMGPOBSA-N 1 2 199.279 0.495 20 0 ACADLO C[C@@]1(O)CC[N@H+](Cc2nncs2)C1 929789065 631101521 /nfs/dbraw/zinc/10/15/21/631101521.db2.gz POHPAFGTWBSPQE-MRVPVSSYSA-N 1 2 199.279 0.495 20 0 ACADLO C[C@@]1(O)CC[N@@H+](Cc2nncs2)C1 929789065 631101524 /nfs/dbraw/zinc/10/15/24/631101524.db2.gz POHPAFGTWBSPQE-MRVPVSSYSA-N 1 2 199.279 0.495 20 0 ACADLO C[C@@H]1C[N@H+](Cc2nncs2)C[C@H]1O 930161239 631106630 /nfs/dbraw/zinc/10/66/30/631106630.db2.gz HUOKUQZYGWUYFO-RNFRBKRXSA-N 1 2 199.279 0.351 20 0 ACADLO C[C@@H]1C[N@@H+](Cc2nncs2)C[C@H]1O 930161239 631106632 /nfs/dbraw/zinc/10/66/32/631106632.db2.gz HUOKUQZYGWUYFO-RNFRBKRXSA-N 1 2 199.279 0.351 20 0 ACADLO C[C@@H]1C[N@H+](Cc2nncs2)C[C@@H]1O 930161240 631107557 /nfs/dbraw/zinc/10/75/57/631107557.db2.gz HUOKUQZYGWUYFO-RQJHMYQMSA-N 1 2 199.279 0.351 20 0 ACADLO C[C@@H]1C[N@@H+](Cc2nncs2)C[C@@H]1O 930161240 631107559 /nfs/dbraw/zinc/10/75/59/631107559.db2.gz HUOKUQZYGWUYFO-RQJHMYQMSA-N 1 2 199.279 0.351 20 0 ACADLO C[C@H]1C[N@H+](Cc2nncs2)C[C@@H]1O 930161237 631107565 /nfs/dbraw/zinc/10/75/65/631107565.db2.gz HUOKUQZYGWUYFO-BQBZGAKWSA-N 1 2 199.279 0.351 20 0 ACADLO C[C@H]1C[N@@H+](Cc2nncs2)C[C@@H]1O 930161237 631107568 /nfs/dbraw/zinc/10/75/68/631107568.db2.gz HUOKUQZYGWUYFO-BQBZGAKWSA-N 1 2 199.279 0.351 20 0 ACADLO C[C@H]1C[N@H+](Cc2nncs2)C[C@H]1O 930161238 631108201 /nfs/dbraw/zinc/10/82/01/631108201.db2.gz HUOKUQZYGWUYFO-NKWVEPMBSA-N 1 2 199.279 0.351 20 0 ACADLO C[C@H]1C[N@@H+](Cc2nncs2)C[C@H]1O 930161238 631108203 /nfs/dbraw/zinc/10/82/03/631108203.db2.gz HUOKUQZYGWUYFO-NKWVEPMBSA-N 1 2 199.279 0.351 20 0 ACADLO OCCC[N@@H+]1CCC[C@H]1c1nnc[nH]1 931137377 631120604 /nfs/dbraw/zinc/12/06/04/631120604.db2.gz RPVPWTIIYAXPQL-QMMMGPOBSA-N 1 2 196.254 0.324 20 0 ACADLO C[C@@H](O)C[N@@H+]1CCC[C@H]1c1nnc[nH]1 931140134 631119858 /nfs/dbraw/zinc/11/98/58/631119858.db2.gz GWCJIYCCGMXETR-SFYZADRCSA-N 1 2 196.254 0.322 20 0 ACADLO C[C@@H](O)C[N@H+]1CCC[C@H]1c1nnc[nH]1 931140134 631119860 /nfs/dbraw/zinc/11/98/60/631119860.db2.gz GWCJIYCCGMXETR-SFYZADRCSA-N 1 2 196.254 0.322 20 0 ACADLO C[C@H](O)C[N@H+]1CCC[C@H]1c1nnc[nH]1 931140135 631120516 /nfs/dbraw/zinc/12/05/16/631120516.db2.gz GWCJIYCCGMXETR-YUMQZZPRSA-N 1 2 196.254 0.322 20 0 ACADLO C[C@H](O)C[N@@H+]1CCC[C@H]1c1nnc[nH]1 931140135 631120513 /nfs/dbraw/zinc/12/05/13/631120513.db2.gz GWCJIYCCGMXETR-YUMQZZPRSA-N 1 2 196.254 0.322 20 0 ACADLO OCCC[N@H+]1CCC[C@H]1c1nnc[nH]1 931137377 631120608 /nfs/dbraw/zinc/12/06/08/631120608.db2.gz RPVPWTIIYAXPQL-QMMMGPOBSA-N 1 2 196.254 0.324 20 0 ACADLO c1nnc(C[N@H+]2C[C@H]3C[C@H]3C2)s1 931710932 631127312 /nfs/dbraw/zinc/12/73/12/631127312.db2.gz WJSVSENXNWJXFQ-KNVOCYPGSA-N 1 2 181.264 0.990 20 0 ACADLO c1nnc(C[N@@H+]2C[C@H]3C[C@H]3C2)s1 931710932 631127314 /nfs/dbraw/zinc/12/73/14/631127314.db2.gz WJSVSENXNWJXFQ-KNVOCYPGSA-N 1 2 181.264 0.990 20 0 ACADLO CCc1nc(C[NH2+][C@@H](CC)CO)no1 931766241 631127428 /nfs/dbraw/zinc/12/74/28/631127428.db2.gz BHBKLFYCACSRMJ-ZETCQYMHSA-N 1 2 199.254 0.493 20 0 ACADLO CCc1nc(C[NH2+][C@H](CC)CO)no1 931766240 631128256 /nfs/dbraw/zinc/12/82/56/631128256.db2.gz BHBKLFYCACSRMJ-SSDOTTSWSA-N 1 2 199.254 0.493 20 0 ACADLO CC[C@@H]1C(=O)NCCC[N@H+]1CC(C)=O 933217075 631139648 /nfs/dbraw/zinc/13/96/48/631139648.db2.gz ISEDOUWVMFNBEZ-SECBINFHSA-N 1 2 198.266 0.176 20 0 ACADLO CC[C@@H]1C(=O)NCCC[N@@H+]1CC(C)=O 933217075 631139650 /nfs/dbraw/zinc/13/96/50/631139650.db2.gz ISEDOUWVMFNBEZ-SECBINFHSA-N 1 2 198.266 0.176 20 0 ACADLO CCO[C@H]1CC[N@H+](Cc2cnon2)C1 932973414 631140249 /nfs/dbraw/zinc/14/02/49/631140249.db2.gz XWMWWTIXDXOZQO-VIFPVBQESA-N 1 2 197.238 0.680 20 0 ACADLO CCO[C@H]1CC[N@@H+](Cc2cnon2)C1 932973414 631140250 /nfs/dbraw/zinc/14/02/50/631140250.db2.gz XWMWWTIXDXOZQO-VIFPVBQESA-N 1 2 197.238 0.680 20 0 ACADLO Cc1[nH]c(CN2CC[C@@H]2CO)[nH+]c1C 934010895 631142363 /nfs/dbraw/zinc/14/23/63/631142363.db2.gz HVSLKNCJBZAHSU-SECBINFHSA-N 1 2 195.266 0.593 20 0 ACADLO Cc1[nH]c(CN2CC[C@H]2CO)[nH+]c1C 934011002 631142505 /nfs/dbraw/zinc/14/25/05/631142505.db2.gz HVSLKNCJBZAHSU-VIFPVBQESA-N 1 2 195.266 0.593 20 0 ACADLO FCC[N@@H+]1CCO[C@@H]2COCC[C@@H]21 933966550 631142896 /nfs/dbraw/zinc/14/28/96/631142896.db2.gz OQKYWQWJZMWSLZ-DTWKUNHWSA-N 1 2 189.230 0.446 20 0 ACADLO FCC[N@H+]1CCO[C@@H]2COCC[C@@H]21 933966550 631142897 /nfs/dbraw/zinc/14/28/97/631142897.db2.gz OQKYWQWJZMWSLZ-DTWKUNHWSA-N 1 2 189.230 0.446 20 0 ACADLO COC(=O)C[NH2+]C(C)(C)CSC 934670005 631149495 /nfs/dbraw/zinc/14/94/95/631149495.db2.gz MHQYUCMOSBZXCB-UHFFFAOYSA-N 1 2 191.296 0.891 20 0 ACADLO Cc1nonc1C[N@@H+](C)[C@H](C)CO 158895030 631154296 /nfs/dbraw/zinc/15/42/96/631154296.db2.gz NNYNLYIWELTDIA-ZCFIWIBFSA-N 1 2 185.227 0.191 20 0 ACADLO Cc1nonc1C[N@H+](C)[C@H](C)CO 158895030 631154299 /nfs/dbraw/zinc/15/42/99/631154299.db2.gz NNYNLYIWELTDIA-ZCFIWIBFSA-N 1 2 185.227 0.191 20 0 ACADLO COC[C@H]([NH3+])c1nc([C@@H]2C[C@H]2C)no1 252189037 631165340 /nfs/dbraw/zinc/16/53/40/631165340.db2.gz USHRNRSANCXVCF-QYNIQEEDSA-N 1 2 197.238 0.839 20 0 ACADLO COC[C@H]([NH3+])c1nc([C@H]2C[C@H]2C)no1 252189038 631165745 /nfs/dbraw/zinc/16/57/45/631165745.db2.gz USHRNRSANCXVCF-VQVTYTSYSA-N 1 2 197.238 0.839 20 0 ACADLO O=C1OCC[C@@H]1[NH2+]C1(C2CC2)CC1 306268927 631169912 /nfs/dbraw/zinc/16/99/12/631169912.db2.gz LQHHPCMXYCNDEL-QMMMGPOBSA-N 1 2 181.235 0.834 20 0 ACADLO C[C@@H]1CN(c2cccc[nH+]2)CC(=O)N1 334645923 525069812 /nfs/dbraw/zinc/06/98/12/525069812.db2.gz NCMINZIKZCSGAO-MRVPVSSYSA-N 1 2 191.234 0.406 20 0 ACADLO CC(C)OC(=O)C[N@H+](C)[C@H](C)CO 158875649 1224190572 /nfs/dbraw/zinc/19/05/72/1224190572.db2.gz BUHHYAMTDATLKA-MRVPVSSYSA-N 1 2 189.255 0.251 20 0 ACADLO CC(C)OC(=O)C[N@@H+](C)[C@H](C)CO 158875649 1224190576 /nfs/dbraw/zinc/19/05/76/1224190576.db2.gz BUHHYAMTDATLKA-MRVPVSSYSA-N 1 2 189.255 0.251 20 0 ACADLO Cc1nnc(C[N@@H+](C)[C@H](C)CO)o1 158880147 1224190597 /nfs/dbraw/zinc/19/05/97/1224190597.db2.gz PUOKHTUGXKUXPO-ZCFIWIBFSA-N 1 2 185.227 0.191 20 0 ACADLO Cc1nnc(C[N@H+](C)[C@H](C)CO)o1 158880147 1224190601 /nfs/dbraw/zinc/19/06/01/1224190601.db2.gz PUOKHTUGXKUXPO-ZCFIWIBFSA-N 1 2 185.227 0.191 20 0 ACADLO CNC(=O)[C@@H]1CCn2cc[nH+]c2C1 170001334 1224201654 /nfs/dbraw/zinc/20/16/54/1224201654.db2.gz JJGVYJYMERAKKW-SSDOTTSWSA-N 1 2 179.223 0.192 20 0 ACADLO CNC(=O)[C@H]1CCn2c[nH+]cc2C1 170001344 1224201677 /nfs/dbraw/zinc/20/16/77/1224201677.db2.gz SNLAHZAEPZYDBO-ZETCQYMHSA-N 1 2 179.223 0.192 20 0 ACADLO CNC(=O)[C@H]1CCn2cc[nH+]c2C1 170001337 1224201736 /nfs/dbraw/zinc/20/17/36/1224201736.db2.gz JJGVYJYMERAKKW-ZETCQYMHSA-N 1 2 179.223 0.192 20 0 ACADLO CNC(=O)[C@@H]1CCn2c[nH+]cc2C1 170001341 1224201798 /nfs/dbraw/zinc/20/17/98/1224201798.db2.gz SNLAHZAEPZYDBO-SSDOTTSWSA-N 1 2 179.223 0.192 20 0 ACADLO CC[S@@](=O)Cc1c[nH+]cn1C 306186333 1224245887 /nfs/dbraw/zinc/24/58/87/1224245887.db2.gz SATZUALOOPLCFA-LLVKDONJSA-N 1 2 172.253 0.689 20 0 ACADLO CC[S@](=O)Cc1c[nH+]cn1C 306186334 1224246042 /nfs/dbraw/zinc/24/60/42/1224246042.db2.gz SATZUALOOPLCFA-NSHDSACASA-N 1 2 172.253 0.689 20 0 ACADLO C[C@@H](C(=O)N1CCC1)n1cc[nH+]c1 306282561 1224250776 /nfs/dbraw/zinc/25/07/76/1224250776.db2.gz ZLVSKKQAGBWAIC-QMMMGPOBSA-N 1 2 179.223 0.676 20 0 ACADLO C[C@H](C(=O)N1CCC1)n1cc[nH+]c1 306282559 1224250883 /nfs/dbraw/zinc/25/08/83/1224250883.db2.gz ZLVSKKQAGBWAIC-MRVPVSSYSA-N 1 2 179.223 0.676 20 0 ACADLO Cc1[nH+]c[nH]c1CC(=O)N(C)C 306323106 1224255129 /nfs/dbraw/zinc/25/51/29/1224255129.db2.gz ZBKYZOHQJQTJNH-UHFFFAOYSA-N 1 2 167.212 0.349 20 0 ACADLO Cc1noc(CCc2c[nH]c[nH+]2)n1 306438787 1224259710 /nfs/dbraw/zinc/25/97/10/1224259710.db2.gz IRNHFYKTCIOQEV-UHFFFAOYSA-N 1 2 178.195 0.886 20 0 ACADLO C[C@@H]1COCC[C@H]1[NH2+][C@H]1CCOC1=O 306441893 1224259747 /nfs/dbraw/zinc/25/97/47/1224259747.db2.gz VGTKKCNUXKUZBH-HLTSFMKQSA-N 1 2 199.250 0.317 20 0 ACADLO C[C@@H]1COCC[C@@H]1[NH2+][C@H]1CCOC1=O 306441899 1224259729 /nfs/dbraw/zinc/25/97/29/1224259729.db2.gz VGTKKCNUXKUZBH-VGMNWLOBSA-N 1 2 199.250 0.317 20 0 ACADLO Cn1nncc1Cn1cc[nH+]c1 306645256 1224270461 /nfs/dbraw/zinc/27/04/61/1224270461.db2.gz BDEFMJWPYRWNSG-UHFFFAOYSA-N 1 2 163.184 0.060 20 0 ACADLO c1cn(Cc2cnsn2)c[nH+]1 306644910 1224270496 /nfs/dbraw/zinc/27/04/96/1224270496.db2.gz AHQSGHPIKVLRBC-UHFFFAOYSA-N 1 2 166.209 0.783 20 0 ACADLO CC(=O)N1CCn2c[nH+]cc2C1 307682651 1224290354 /nfs/dbraw/zinc/29/03/54/1224290354.db2.gz RXOMUQOLQRKSLH-UHFFFAOYSA-N 1 2 165.196 0.245 20 0 ACADLO CCN(C)C(=O)[C@@H](C)n1cc[nH+]c1 308383853 1224299264 /nfs/dbraw/zinc/29/92/64/1224299264.db2.gz VWJAESVWYQGFCN-MRVPVSSYSA-N 1 2 181.239 0.922 20 0 ACADLO CCN(C)C(=O)[C@H](C)n1cc[nH+]c1 308383854 1224299349 /nfs/dbraw/zinc/29/93/49/1224299349.db2.gz VWJAESVWYQGFCN-QMMMGPOBSA-N 1 2 181.239 0.922 20 0 ACADLO Cn1cc(C[NH2+]C(C)(C)CF)nn1 308396858 1224300103 /nfs/dbraw/zinc/30/01/03/1224300103.db2.gz FHUUTGCKJZZKRC-UHFFFAOYSA-N 1 2 186.234 0.653 20 0 ACADLO O[C@@H](C[NH2+]Cc1ccn[nH]1)C1CCC1 315988109 1224300989 /nfs/dbraw/zinc/30/09/89/1224300989.db2.gz OPTHHXGRZXXTKP-JTQLQIEISA-N 1 2 195.266 0.660 20 0 ACADLO O[C@H](C[NH2+]Cc1ccn[nH]1)C1CCC1 315988110 1224301084 /nfs/dbraw/zinc/30/10/84/1224301084.db2.gz OPTHHXGRZXXTKP-SNVBAGLBSA-N 1 2 195.266 0.660 20 0 ACADLO CC[C@H](CO)N(C)c1cc(N)nc[nH+]1 379005249 1224306811 /nfs/dbraw/zinc/30/68/11/1224306811.db2.gz FDRHGBSGGPNQNP-SSDOTTSWSA-N 1 2 196.254 0.266 20 0 ACADLO CC[C@@H](CO)N(C)c1cc(N)nc[nH+]1 379005250 1224306852 /nfs/dbraw/zinc/30/68/52/1224306852.db2.gz FDRHGBSGGPNQNP-ZETCQYMHSA-N 1 2 196.254 0.266 20 0 ACADLO CN(C)C(=O)CCc1c[nH+]cn1C 388711753 1224327313 /nfs/dbraw/zinc/32/73/13/1224327313.db2.gz PSAYXKFWFLRKLO-UHFFFAOYSA-N 1 2 181.239 0.441 20 0 ACADLO CONC(=O)CCc1c[nH+]cn1C 393718344 1224334317 /nfs/dbraw/zinc/33/43/17/1224334317.db2.gz VAGNTWDKNYKLCC-UHFFFAOYSA-N 1 2 183.211 0.030 20 0 ACADLO CC[C@H](O)C[NH2+][C@@H](C)c1ncon1 397855047 1224338162 /nfs/dbraw/zinc/33/81/62/1224338162.db2.gz AQSLBSCZJXBVNT-BQBZGAKWSA-N 1 2 185.227 0.491 20 0 ACADLO C[C@H]([NH2+][C@@H](C)[C@@H](C)O)c1ncon1 397872615 1224338259 /nfs/dbraw/zinc/33/82/59/1224338259.db2.gz BBQMLEGONICKOE-LYFYHCNISA-N 1 2 185.227 0.490 20 0 ACADLO CC[C@H](O)C[NH2+][C@H](C)c1ncon1 397855054 1224338370 /nfs/dbraw/zinc/33/83/70/1224338370.db2.gz AQSLBSCZJXBVNT-RQJHMYQMSA-N 1 2 185.227 0.491 20 0 ACADLO CC[C@@H](O)C[NH2+][C@@H](C)c1ncon1 397855050 1224338674 /nfs/dbraw/zinc/33/86/74/1224338674.db2.gz AQSLBSCZJXBVNT-NKWVEPMBSA-N 1 2 185.227 0.491 20 0 ACADLO C[C@H]([NH2+][C@@H](C)[C@H](C)O)c1ncon1 397872611 1224338697 /nfs/dbraw/zinc/33/86/97/1224338697.db2.gz BBQMLEGONICKOE-ACZMJKKPSA-N 1 2 185.227 0.490 20 0 ACADLO C[C@H]([NH2+][C@H](C)[C@@H](C)O)c1ncon1 397872614 1224338985 /nfs/dbraw/zinc/33/89/85/1224338985.db2.gz BBQMLEGONICKOE-DSYKOEDSSA-N 1 2 185.227 0.490 20 0 ACADLO CC[C@@H](O)C[NH2+][C@H](C)c1ncon1 397855051 1224339153 /nfs/dbraw/zinc/33/91/53/1224339153.db2.gz AQSLBSCZJXBVNT-RNFRBKRXSA-N 1 2 185.227 0.491 20 0 ACADLO C[C@H]([NH2+][C@H](C)[C@H](C)O)c1ncon1 397872617 1224339203 /nfs/dbraw/zinc/33/92/03/1224339203.db2.gz BBQMLEGONICKOE-VQVTYTSYSA-N 1 2 185.227 0.490 20 0 ACADLO C[C@H](O)C[NH2+][C@@H](C)c1ncon1 397927191 1224339914 /nfs/dbraw/zinc/33/99/14/1224339914.db2.gz RVKMPYDHBMCSCQ-WDSKDSINSA-N 1 2 171.200 0.101 20 0 ACADLO C[C@H](O)C[NH2+][C@H](C)c1ncon1 397927187 1224340313 /nfs/dbraw/zinc/34/03/13/1224340313.db2.gz RVKMPYDHBMCSCQ-NTSWFWBYSA-N 1 2 171.200 0.101 20 0 ACADLO C[C@@H](O)C[NH2+][C@H](C)c1ncon1 397927189 1224340425 /nfs/dbraw/zinc/34/04/25/1224340425.db2.gz RVKMPYDHBMCSCQ-PHDIDXHHSA-N 1 2 171.200 0.101 20 0 ACADLO C[C@H]([NH2+]C[C@@H](C)O)c1ncon1 397927190 1224340520 /nfs/dbraw/zinc/34/05/20/1224340520.db2.gz RVKMPYDHBMCSCQ-RITPCOANSA-N 1 2 171.200 0.101 20 0 ACADLO COC(=O)N[C@@H]1CCn2cc[nH+]c2C1 779214152 1224353032 /nfs/dbraw/zinc/35/30/32/1224353032.db2.gz RBQCSOLESAJRTH-SSDOTTSWSA-N 1 2 195.222 0.554 20 0 ACADLO COC(=O)N[C@H]1CCn2cc[nH+]c2C1 779214153 1224353297 /nfs/dbraw/zinc/35/32/97/1224353297.db2.gz RBQCSOLESAJRTH-ZETCQYMHSA-N 1 2 195.222 0.554 20 0 ACADLO Cc1[nH+]c[nH]c1CC(=O)NCCF 1156251397 1224371954 /nfs/dbraw/zinc/37/19/54/1224371954.db2.gz IEPXOJVMDGJHMS-UHFFFAOYSA-N 1 2 185.202 0.346 20 0 ACADLO O=C(Cc1[nH]cc[nH+]1)NCCF 1328297805 1224438999 /nfs/dbraw/zinc/43/89/99/1224438999.db2.gz XQRJERIOZMRQAU-UHFFFAOYSA-N 1 2 171.175 0.038 20 0 ACADLO CON(C(=O)Cc1c[nH+]c[nH]1)C(C)C 1331923390 1224452852 /nfs/dbraw/zinc/45/28/52/1224452852.db2.gz HGAHSVJWRNJKBF-UHFFFAOYSA-N 1 2 197.238 0.751 20 0 ACADLO CC[C@@H](CO)[N@H+](C)Cc1cc(C)[nH]n1 1347791434 1224467827 /nfs/dbraw/zinc/46/78/27/1224467827.db2.gz FBRREXATPUJYKA-JTQLQIEISA-N 1 2 197.282 0.921 20 0 ACADLO CC[C@@H](CO)[N@@H+](C)Cc1cc(C)[nH]n1 1347791434 1224467830 /nfs/dbraw/zinc/46/78/30/1224467830.db2.gz FBRREXATPUJYKA-JTQLQIEISA-N 1 2 197.282 0.921 20 0 ACADLO CC[C@H](CO)[N@H+](C)Cc1cc(C)[nH]n1 1347791436 1224467885 /nfs/dbraw/zinc/46/78/85/1224467885.db2.gz FBRREXATPUJYKA-SNVBAGLBSA-N 1 2 197.282 0.921 20 0 ACADLO CC[C@H](CO)[N@@H+](C)Cc1cc(C)[nH]n1 1347791436 1224467890 /nfs/dbraw/zinc/46/78/90/1224467890.db2.gz FBRREXATPUJYKA-SNVBAGLBSA-N 1 2 197.282 0.921 20 0 ACADLO CC(C)NC(=O)CCc1[nH+]ccn1C 1350731954 1224469564 /nfs/dbraw/zinc/46/95/64/1224469564.db2.gz JQWKXGUXJNLMBD-UHFFFAOYSA-N 1 2 195.266 0.877 20 0 ACADLO Cc1[nH+]c[nH]c1CC(=O)NC1CCC1 1468803733 1224479008 /nfs/dbraw/zinc/47/90/08/1224479008.db2.gz ZWLIFPURXNTVFB-UHFFFAOYSA-N 1 2 193.250 0.929 20 0 ACADLO CCNC(=O)CCc1[nH]cc[nH+]1 388505976 538433298 /nfs/dbraw/zinc/43/32/98/538433298.db2.gz OQBBMCJZOZUNDN-UHFFFAOYSA-N 1 2 167.212 0.478 20 0 ACADLO c1cn(CCSc2c[nH]nn2)c[nH+]1 388574360 538433334 /nfs/dbraw/zinc/43/33/34/538433334.db2.gz AJVMUASCXRFMLU-UHFFFAOYSA-N 1 2 195.251 0.794 20 0 ACADLO c1cn(CCSc2cn[nH]n2)c[nH+]1 388574360 538433335 /nfs/dbraw/zinc/43/33/35/538433335.db2.gz AJVMUASCXRFMLU-UHFFFAOYSA-N 1 2 195.251 0.794 20 0 ACADLO Cc1cnc(C[N@H+](C)CCO)s1 388515558 538433337 /nfs/dbraw/zinc/43/33/37/538433337.db2.gz UIHJPKNOEFIYLR-UHFFFAOYSA-N 1 2 186.280 0.876 20 0 ACADLO Cc1cnc(C[N@@H+](C)CCO)s1 388515558 538433338 /nfs/dbraw/zinc/43/33/38/538433338.db2.gz UIHJPKNOEFIYLR-UHFFFAOYSA-N 1 2 186.280 0.876 20 0 ACADLO C[C@H]1C[C@H]1C[N@H+](C)Cc1nnc[nH]1 388585478 538433983 /nfs/dbraw/zinc/43/39/83/538433983.db2.gz HRGVWXTZDGVUJB-YUMQZZPRSA-N 1 2 180.255 0.893 20 0 ACADLO C[C@H]1C[C@H]1C[N@@H+](C)Cc1nnc[nH]1 388585478 538433984 /nfs/dbraw/zinc/43/39/84/538433984.db2.gz HRGVWXTZDGVUJB-YUMQZZPRSA-N 1 2 180.255 0.893 20 0 ACADLO Cc1[nH+]c[nH]c1CC(=O)N1CC(F)C1 1631418610 1224504861 /nfs/dbraw/zinc/50/48/61/1224504861.db2.gz INQYLUDAGPPOSU-UHFFFAOYSA-N 1 2 197.213 0.441 20 0 ACADLO C[C@H]1C(=O)NCCN1c1cccc[nH+]1 334341420 526207652 /nfs/dbraw/zinc/20/76/52/526207652.db2.gz OJFIWXMGWGZLIY-QMMMGPOBSA-N 1 2 191.234 0.406 20 0 ACADLO C[C@@H]1C(=O)NCCN1c1cccc[nH+]1 334341418 526207948 /nfs/dbraw/zinc/20/79/48/526207948.db2.gz OJFIWXMGWGZLIY-MRVPVSSYSA-N 1 2 191.234 0.406 20 0 ACADLO O=C1CN(c2cccc[nH+]2)CCN1 307006504 527006712 /nfs/dbraw/zinc/00/67/12/527006712.db2.gz GBRIGSKHNNGYQG-UHFFFAOYSA-N 1 2 177.207 0.018 20 0 ACADLO O=C1C[NH2+]CCN1c1ccccc1F 70651346 527011692 /nfs/dbraw/zinc/01/16/92/527011692.db2.gz XADOLDIXWGJVRV-UHFFFAOYSA-N 1 2 194.209 0.762 20 0 ACADLO O=S1CCN(c2cccc[nH+]2)CC1 306427248 527316952 /nfs/dbraw/zinc/31/69/52/527316952.db2.gz KWIFSKYWLRUJEF-UHFFFAOYSA-N 1 2 196.275 0.650 20 0 ACADLO Nc1cc(N2CCC(O)CC2)[nH+]cn1 72192639 527457422 /nfs/dbraw/zinc/45/74/22/527457422.db2.gz HLHSTXCLIDWARD-UHFFFAOYSA-N 1 2 194.238 0.020 20 0 ACADLO