smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name N#Cc1ccccc1/N=C/c1ccccc1[O-] ZINC000000046397 181144213 /nfs/dbraw/zinc/14/42/13/181144213.db2.gz IEWFISGZEVZDRK-MHWRWJLKSA-N -1 1 222.247 3.014 50 30 BGEAMM [O-]N=C(c1cccs1)c1cccs1 ZINC000000132945 342676409 /nfs/dbraw/zinc/67/64/09/342676409.db2.gz UXSSDPITEOFAMK-UHFFFAOYSA-N -1 1 209.295 3.036 50 30 BGEAMM Cc1ccc(O)c(/N=C/c2cccc(F)c2[O-])c1 ZINC000000225280 344648134 /nfs/dbraw/zinc/64/81/34/344648134.db2.gz UTIOWRDENLGOAI-LZYBPNLTSA-N -1 1 245.253 3.296 50 30 BGEAMM C=CCc1c([O-])c(CC)cc2c(C)cc(=O)oc21 ZINC000000303971 188225367 /nfs/dbraw/zinc/22/53/67/188225367.db2.gz YWKUKNJWDUCNMF-UHFFFAOYSA-N -1 1 244.290 3.098 50 30 BGEAMM N#Cc1ccc(/C=N/c2ccccc2[O-])cc1 ZINC000000357323 342684703 /nfs/dbraw/zinc/68/47/03/342684703.db2.gz LPHXWDWZTUCWNT-MHWRWJLKSA-N -1 1 222.247 3.014 50 30 BGEAMM C=C1C(=O)c2ccccc2C(O)=C1SCC ZINC000000393700 342686133 /nfs/dbraw/zinc/68/61/33/342686133.db2.gz AAPLOQZFUUYECE-UHFFFAOYSA-N -1 1 232.304 3.093 50 30 BGEAMM O=C1c2ccc([O-])cc2O/C1=C/c1ccccc1 ZINC000000490757 345967588 /nfs/dbraw/zinc/96/75/88/345967588.db2.gz KDGIFQNPGMXJCY-RIYZIHGNSA-N -1 1 238.242 3.008 50 30 BGEAMM O=C1c2ccc([O-])cc2O/C1=C\c1ccccc1 ZINC000000490758 346860113 /nfs/dbraw/zinc/86/01/13/346860113.db2.gz KDGIFQNPGMXJCY-ZSOIEALJSA-N -1 1 238.242 3.008 50 30 BGEAMM O=C1c2ccc([O-])cc2O/C1=C/c1cccs1 ZINC000000537577 342689836 /nfs/dbraw/zinc/68/98/36/342689836.db2.gz WIIIBLSEONHCHJ-KPKJPENVSA-N -1 1 244.271 3.070 50 30 BGEAMM O=C1c2ccc([O-])cc2O/C1=C\c1cccs1 ZINC000000537578 346988092 /nfs/dbraw/zinc/98/80/92/346988092.db2.gz WIIIBLSEONHCHJ-GHXNOFRVSA-N -1 1 244.271 3.070 50 30 BGEAMM [O-]/N=C/c1ccc(-c2cccc(Cl)c2)o1 ZINC000000547151 383875512 /nfs/dbraw/zinc/87/55/12/383875512.db2.gz YVYKALDUAIOQJX-NTUHNPAUSA-N -1 1 221.643 3.408 50 30 BGEAMM N#Cc1cccc(/N=C/c2cccc([O-])c2)c1 ZINC000000566878 181134884 /nfs/dbraw/zinc/13/48/84/181134884.db2.gz QHKCVUVGJUPMQH-MHWRWJLKSA-N -1 1 222.247 3.014 50 30 BGEAMM C=CCn1c(=S)[n-]nc1-c1cccc(C)c1 ZINC000000617622 386614229 /nfs/dbraw/zinc/61/42/29/386614229.db2.gz AGGUEVUAPLNPMU-UHFFFAOYSA-N -1 1 231.324 3.102 50 30 BGEAMM CCCCCCCCCC[P@](=O)([O-])O ZINC000001600124 342705204 /nfs/dbraw/zinc/70/52/04/342705204.db2.gz DZQISOJKASMITI-UHFFFAOYSA-N -1 1 222.265 3.305 50 30 in-vivo BGEAMM CCCCCCCSc1nc(C)cc(=O)[n-]1 ZINC000001770554 358534238 /nfs/dbraw/zinc/53/42/38/358534238.db2.gz UAHWAAPDKMGTGX-UHFFFAOYSA-N -1 1 240.372 3.141 50 30 BGEAMM CCCCC1=C([O-])C(=O)c2ccccc2C1=O ZINC000002497009 642399260 /nfs/dbraw/zinc/39/92/60/642399260.db2.gz ZONYJZHBAWFOLS-UHFFFAOYSA-N -1 1 230.263 3.068 50 30 BGEAMM [O-]/N=C/c1cccc(Oc2ccccc2)c1 ZINC000002518615 383969790 /nfs/dbraw/zinc/96/97/90/383969790.db2.gz RBJVECPZAOPMNW-GXDHUFHOSA-N -1 1 213.236 3.287 50 30 BGEAMM C=CCn1c(=S)[n-]nc1-c1csc(C)c1 ZINC000002569122 344683521 /nfs/dbraw/zinc/68/35/21/344683521.db2.gz XYYGHOHDZSZNEZ-UHFFFAOYSA-N -1 1 237.353 3.164 50 30 BGEAMM C=CCn1c(=S)[n-]nc1-c1ccccc1C ZINC000002578519 345766078 /nfs/dbraw/zinc/76/60/78/345766078.db2.gz BOKMEJQLNQDLIT-UHFFFAOYSA-N -1 1 231.324 3.102 50 30 BGEAMM N#Cc1c([O-])cc(C(F)F)cc1C(F)F ZINC000002802537 342794049 /nfs/dbraw/zinc/79/40/49/342794049.db2.gz OARMGJHLEVYKHX-UHFFFAOYSA-N -1 1 219.137 3.139 50 30 BGEAMM CCCCCC1=C([O-])C(=O)c2ccccc2C1=O ZINC000003984167 188096665 /nfs/dbraw/zinc/09/66/65/188096665.db2.gz FCWFBFYSMWWNCB-UHFFFAOYSA-N -1 1 244.290 3.458 50 30 BGEAMM [O-]/N=C/c1ccc(-c2ccccc2Cl)o1 ZINC000004086358 388588326 /nfs/dbraw/zinc/58/83/26/388588326.db2.gz FXTCZAAXNBATOE-NTUHNPAUSA-N -1 1 221.643 3.408 50 30 BGEAMM O=C(/C=C/c1ccccc1)c1ccc([O-])cc1 ZINC000004175523 181841087 /nfs/dbraw/zinc/84/10/87/181841087.db2.gz UAHGNXFYLAJDIN-IZZDOVSWSA-N -1 1 224.259 3.288 50 30 biogenic,in-vitro BGEAMM Cc1cc(C)c([O-])c(C(=O)/C=C/c2ccco2)c1 ZINC000004368337 384335749 /nfs/dbraw/zinc/33/57/49/384335749.db2.gz NMIMRZKHNIPZBT-AATRIKPKSA-N -1 1 242.274 3.498 50 30 BGEAMM CC[C@@H](C)CC1=C([O-])C(=O)c2ccccc2C1=O ZINC000004552428 342749106 /nfs/dbraw/zinc/74/91/06/342749106.db2.gz OXYHMCFJQKEOSE-SECBINFHSA-N -1 1 244.290 3.314 50 30 BGEAMM Cc1ccc(/C(=N/[O-])c2cccs2)cc1 ZINC000004783166 178351337 /nfs/dbraw/zinc/35/13/37/178351337.db2.gz RNIHSJJEPWOUKG-SEYXRHQNSA-N -1 1 217.293 3.283 50 30 BGEAMM C=CCn1c(=S)[n-]nc1-c1ccc(C)cc1 ZINC000005061343 386795496 /nfs/dbraw/zinc/79/54/96/386795496.db2.gz ZHSGDTYCPUCKAU-UHFFFAOYSA-N -1 1 231.324 3.102 50 30 BGEAMM O=C(/C=C/c1ccc(F)cc1)c1ccc([O-])cc1 ZINC000005094118 384101256 /nfs/dbraw/zinc/10/12/56/384101256.db2.gz NDVVHDJUSWOVOP-XCVCLJGOSA-N -1 1 242.249 3.427 50 30 BGEAMM C=C(C)Cn1c(-c2ccccc2)n[n-]c1=S ZINC000005685830 355359528 /nfs/dbraw/zinc/35/95/28/355359528.db2.gz HZFLRGXSBCMGGK-UHFFFAOYSA-N -1 1 231.324 3.184 50 30 BGEAMM C=C(C)Cn1c(-c2cccs2)n[n-]c1=S ZINC000005685832 188337086 /nfs/dbraw/zinc/33/70/86/188337086.db2.gz XPMCJTVMOPHXLA-UHFFFAOYSA-N -1 1 237.353 3.245 50 30 BGEAMM C=CCn1c(=S)[n-]nc1C1CCCCC1 ZINC000005850007 188584577 /nfs/dbraw/zinc/58/45/77/188584577.db2.gz BCLVTKWIMAUZQF-UHFFFAOYSA-N -1 1 223.345 3.174 50 30 BGEAMM C=CCn1c(CC2CCCCC2)n[n-]c1=S ZINC000005899388 355361113 /nfs/dbraw/zinc/36/11/13/355361113.db2.gz NLYDNKPULSKETD-UHFFFAOYSA-N -1 1 237.372 3.249 50 30 BGEAMM C=C(C)Cn1c(Cc2ccccc2)n[n-]c1=S ZINC000006492944 386826375 /nfs/dbraw/zinc/82/63/75/386826375.db2.gz YSGFFGZWXUKLPM-UHFFFAOYSA-N -1 1 245.351 3.108 50 30 BGEAMM O=C(/C=C/c1ccccc1F)c1ccc([O-])cc1 ZINC000006528513 388105374 /nfs/dbraw/zinc/10/53/74/388105374.db2.gz KUSJMTSFPIXTSJ-JXMROGBWSA-N -1 1 242.249 3.427 50 30 BGEAMM C=C(C)Cn1c(-c2cccc(C)c2)n[n-]c1=S ZINC000006557006 355365075 /nfs/dbraw/zinc/36/50/75/355365075.db2.gz CSDPTKWMJHKXRS-UHFFFAOYSA-N -1 1 245.351 3.492 50 30 BGEAMM C=CCn1c(=S)[n-]nc1-c1sccc1C ZINC000006557107 355365483 /nfs/dbraw/zinc/36/54/83/355365483.db2.gz XSVDDETUZRLVNZ-UHFFFAOYSA-N -1 1 237.353 3.164 50 30 BGEAMM CCCC1CCC(c2ccc(C#N)c(=O)[n-]2)CC1 ZINC000006682012 360586928 /nfs/dbraw/zinc/58/69/28/360586928.db2.gz FMRQMDMREMHEMB-UHFFFAOYSA-N -1 1 244.338 3.320 50 30 BGEAMM [O-]/N=C/c1ccccc1OCc1ccc(F)cc1 ZINC000006926832 387872554 /nfs/dbraw/zinc/87/25/54/387872554.db2.gz IUBMYWIOUDJIKO-CXUHLZMHSA-N -1 1 245.253 3.213 50 30 BGEAMM O=C(/C=C/c1ccsc1)c1ccc([O-])cc1 ZINC000007718011 388889099 /nfs/dbraw/zinc/88/90/99/388889099.db2.gz RFYJDWHMGUNWAS-LZCJLJQNSA-N -1 1 230.288 3.350 50 30 BGEAMM O=C(/C=C/c1cccs1)c1ccc([O-])cc1 ZINC000008730064 181845216 /nfs/dbraw/zinc/84/52/16/181845216.db2.gz SZSNJSQYWPJMKW-BQYQJAHWSA-N -1 1 230.288 3.350 50 30 BGEAMM [O-]/N=C/c1ccc(-c2nc3ccccc3s2)o1 ZINC000011690482 383893764 /nfs/dbraw/zinc/89/37/64/383893764.db2.gz PDWPGABNLBUDMD-NTUHNPAUSA-N -1 1 244.275 3.364 50 30 BGEAMM CCCOc1ccc2ccccc2c1/C=N/[O-] ZINC000011887315 169323093 /nfs/dbraw/zinc/32/30/93/169323093.db2.gz PUFNZJGBLWUPAE-XNTDXEJSSA-N -1 1 229.279 3.437 50 30 BGEAMM C/C(=N\[O-])c1ccc(Cl)cc1Cl ZINC000013140240 187250226 /nfs/dbraw/zinc/25/02/26/187250226.db2.gz SIHFUCIFLOLJFU-VZUCSPMQSA-N -1 1 204.056 3.192 50 30 BGEAMM O=C(/C=C\c1ccccc1)c1ccc([O-])cc1 ZINC000013319955 384353417 /nfs/dbraw/zinc/35/34/17/384353417.db2.gz UAHGNXFYLAJDIN-WDZFZDKYSA-N -1 1 224.259 3.288 50 30 in-vitro BGEAMM O=C1c2ccc([O-])cc2O/C1=C/c1ccsc1 ZINC000014233519 362845439 /nfs/dbraw/zinc/84/54/39/362845439.db2.gz GBTOYPPMCOUUQO-LFYBBSHMSA-N -1 1 244.271 3.070 50 30 BGEAMM C=CCOc1ccc2ccccc2c1/C=N/[O-] ZINC000015923885 262713205 /nfs/dbraw/zinc/71/32/05/262713205.db2.gz ZWZMXMHJPULWOB-XNTDXEJSSA-N -1 1 227.263 3.213 50 30 BGEAMM Cc1ccc(COc2ccccc2/C=N/[O-])cc1 ZINC000016292480 356938540 /nfs/dbraw/zinc/93/85/40/356938540.db2.gz GFSMCJICWAILQW-MHWRWJLKSA-N -1 1 241.290 3.382 50 30 BGEAMM C=CCn1c(CCCCCC)n[n-]c1=S ZINC000016970938 355889246 /nfs/dbraw/zinc/88/92/46/355889246.db2.gz BJIMNQLYTVYDEF-UHFFFAOYSA-N -1 1 225.361 3.249 50 30 BGEAMM O=[N+]([O-])c1ccc(/C=N/c2ccccc2[O-])cc1 ZINC000018068641 355901124 /nfs/dbraw/zinc/90/11/24/355901124.db2.gz SCALUNNCQAUIKS-NTEUORMPSA-N -1 1 242.234 3.051 50 30 BGEAMM [O-]/N=C/c1cccc(OCc2ccc(F)cc2)c1 ZINC000018123079 384500311 /nfs/dbraw/zinc/50/03/11/384500311.db2.gz FYJSZLMYWFXQKQ-CXUHLZMHSA-N -1 1 245.253 3.213 50 30 BGEAMM [O-]/N=C\c1ccc(-c2ccc(Cl)cc2)o1 ZINC000018190125 384499716 /nfs/dbraw/zinc/49/97/16/384499716.db2.gz NJFUMSDVJZXMKK-QPEQYQDCSA-N -1 1 221.643 3.408 50 30 BGEAMM O=[N+]([O-])c1ccccc1/C=N/c1ccc([O-])cc1 ZINC000018325034 342790233 /nfs/dbraw/zinc/79/02/33/342790233.db2.gz CDCHWCWDVQOMLH-NTEUORMPSA-N -1 1 242.234 3.051 50 30 BGEAMM N#CC=C([O-])c1c(Cl)cccc1Cl ZINC000019422324 181034306 /nfs/dbraw/zinc/03/43/06/181034306.db2.gz KCHWJFVEFMTLFE-UHFFFAOYSA-N -1 1 214.051 3.090 50 30 BGEAMM O=C(/C=C\c1cccs1)c1ccc([O-])cc1 ZINC000033444812 385234091 /nfs/dbraw/zinc/23/40/91/385234091.db2.gz SZSNJSQYWPJMKW-FPLPWBNLSA-N -1 1 230.288 3.350 50 30 BGEAMM O=C(/C=C\c1ccccc1F)c1ccc([O-])cc1 ZINC000034953954 636228320 /nfs/dbraw/zinc/22/83/20/636228320.db2.gz KUSJMTSFPIXTSJ-YFHOEESVSA-N -1 1 242.249 3.427 50 30 BGEAMM O=C1c2ccc([O-])cc2OC1=C1CCCCC1 ZINC000040162801 343397299 /nfs/dbraw/zinc/39/72/99/343397299.db2.gz AORXDXVOXDLFST-UHFFFAOYSA-N -1 1 230.263 3.186 50 30 BGEAMM CC(C)=CCC1=C([O-])C(=O)c2ccccc2C1=O ZINC000078934733 259336038 /nfs/dbraw/zinc/33/60/38/259336038.db2.gz CWPGNVFCJOPXFB-UHFFFAOYSA-N -1 1 242.274 3.077 50 30 in-vitro BGEAMM [O-]/N=C1\CCCOc2c3ccccc3ccc21 ZINC000094992609 388748158 /nfs/dbraw/zinc/74/81/58/388748158.db2.gz CQYKLBJGSIHAJI-FYWRMAATSA-N -1 1 227.263 3.191 50 30 BGEAMM CCCCCCCOc1ccc(=S)[n-]n1 ZINC000095722802 384390896 /nfs/dbraw/zinc/39/08/96/384390896.db2.gz YSUNGXLEMCBENO-UHFFFAOYSA-N -1 1 226.345 3.115 50 30 BGEAMM CC[C@H](C)CC1=C([O-])C(=O)c2ccccc2C1=O ZINC000095857884 171263543 /nfs/dbraw/zinc/26/35/43/171263543.db2.gz OXYHMCFJQKEOSE-VIFPVBQESA-N -1 1 244.290 3.314 50 30 BGEAMM O=C(/C=C\c1ccsc1)c1ccc([O-])cc1 ZINC000096766228 388825475 /nfs/dbraw/zinc/82/54/75/388825475.db2.gz RFYJDWHMGUNWAS-BHQIHCQQSA-N -1 1 230.288 3.350 50 30 BGEAMM O=C1c2ccc([O-])cc2O/C1=C\c1ccsc1 ZINC000096920987 388827692 /nfs/dbraw/zinc/82/76/92/388827692.db2.gz GBTOYPPMCOUUQO-XGICHPGQSA-N -1 1 244.271 3.070 50 30 BGEAMM C=C1c2ccccc2C/C(=N/[O-])c2ccccc21 ZINC000097332964 384512080 /nfs/dbraw/zinc/51/20/80/384512080.db2.gz KBJSOGOOFXMVPT-MSUUIHNZSA-N -1 1 235.286 3.483 50 30 BGEAMM C/C(=N\[O-])c1ccc(Cl)c(Cl)c1 ZINC000100016469 384608076 /nfs/dbraw/zinc/60/80/76/384608076.db2.gz LMETXBMWXOYVAN-VZUCSPMQSA-N -1 1 204.056 3.192 50 30 BGEAMM C/C(=N\[O-])c1cc(Cl)sc1Cl ZINC000100067331 384614691 /nfs/dbraw/zinc/61/46/91/384614691.db2.gz REIQWYVJTGMUMC-YCRREMRBSA-N -1 1 210.085 3.253 50 30 BGEAMM [O-]/N=C/c1ccc(-c2ccc(Cl)cc2)o1 ZINC000100123023 384618841 /nfs/dbraw/zinc/61/88/41/384618841.db2.gz NJFUMSDVJZXMKK-NTUHNPAUSA-N -1 1 221.643 3.408 50 30 BGEAMM [O-]/N=C1\CCSc2ccc(Cl)cc21 ZINC000100126562 384618982 /nfs/dbraw/zinc/61/89/82/384618982.db2.gz APSUJQIKHWGVBW-DHZHZOJOSA-N -1 1 213.689 3.014 50 30 BGEAMM Cc1oc(/N=C/c2ccccc2[O-])c(C#N)c1C ZINC000100174853 384621420 /nfs/dbraw/zinc/62/14/20/384621420.db2.gz KWCGSFZYZYJEML-LZYBPNLTSA-N -1 1 240.262 3.224 50 30 BGEAMM Cc1ccc(C([O-])=CC(=O)C(F)(F)F)cc1 ZINC000100244387 178368666 /nfs/dbraw/zinc/36/86/66/178368666.db2.gz SLHAPDLXLHGRKY-UXBLZVDNSA-N -1 1 230.185 3.182 50 30 BGEAMM [O-]/N=C/c1ccccc1OCc1ccccc1 ZINC000100378684 384638543 /nfs/dbraw/zinc/63/85/43/384638543.db2.gz BWMUTEQULQIHFG-XNTDXEJSSA-N -1 1 227.263 3.074 50 30 BGEAMM O=C(C=C([O-])c1ccc(F)cc1)C(F)(F)F ZINC000100428826 384640218 /nfs/dbraw/zinc/64/02/18/384640218.db2.gz PMGOJTZMSSVFQR-UITAMQMPSA-N -1 1 234.148 3.013 50 30 BGEAMM [O-]/N=C/c1sc2ccccc2c1Cl ZINC000100468138 384734117 /nfs/dbraw/zinc/73/41/17/384734117.db2.gz KSSLVPQWNVMGLB-VZUCSPMQSA-N -1 1 211.673 3.363 50 30 BGEAMM Cc1ccc(C([O-])=CC(=O)C(F)(F)F)cc1 ZINC000100487356 178369518 /nfs/dbraw/zinc/36/95/18/178369518.db2.gz SLHAPDLXLHGRKY-POHAHGRESA-N -1 1 230.185 3.182 50 30 BGEAMM Cc1ccccc1C([O-])=CC(=O)C(F)(F)F ZINC000100489670 384644780 /nfs/dbraw/zinc/64/47/80/384644780.db2.gz INKOLQUPGYWWKW-UXBLZVDNSA-N -1 1 230.185 3.182 50 30 BGEAMM Cc1ccc(C(=O)C=C([O-])C(F)(F)F)s1 ZINC000100496898 178368898 /nfs/dbraw/zinc/36/88/98/178368898.db2.gz QVLKWIBADRVARB-XBXARRHUSA-N -1 1 236.214 3.243 50 30 BGEAMM Cc1ccc(/C(=N\[O-])c2cccs2)cc1 ZINC000101161810 178350869 /nfs/dbraw/zinc/35/08/69/178350869.db2.gz RNIHSJJEPWOUKG-OUKQBFOZSA-N -1 1 217.293 3.283 50 30 BGEAMM Cc1ccc(C(=O)C=C([O-])C(F)(F)F)s1 ZINC000101372122 178368496 /nfs/dbraw/zinc/36/84/96/178368496.db2.gz QVLKWIBADRVARB-YWEYNIOJSA-N -1 1 236.214 3.243 50 30 BGEAMM CCOc1ccc2ccccc2c1/C=N/[O-] ZINC000102775160 385287725 /nfs/dbraw/zinc/28/77/25/385287725.db2.gz INEMFHVZJWVMTR-NTEUORMPSA-N -1 1 215.252 3.047 50 30 BGEAMM Cc1ccc(COc2ccccc2C=N[O-])cc1 ZINC000251458252 524630448 /nfs/dbraw/zinc/63/04/48/524630448.db2.gz GFSMCJICWAILQW-UHFFFAOYSA-N -1 1 241.290 3.382 50 30 BGEAMM [O-]N=Cc1cccc(Oc2ccccc2)c1 ZINC000252370117 345870465 /nfs/dbraw/zinc/87/04/65/345870465.db2.gz RBJVECPZAOPMNW-UHFFFAOYSA-N -1 1 213.236 3.287 50 30 BGEAMM N#Cc1ccccc1N=Cc1ccccc1[O-] ZINC000252460785 363275964 /nfs/dbraw/zinc/27/59/64/363275964.db2.gz IEWFISGZEVZDRK-UHFFFAOYSA-N -1 1 222.247 3.014 50 30 BGEAMM N#Cc1ccc(C=Nc2ccccc2[O-])cc1 ZINC000252461249 363275880 /nfs/dbraw/zinc/27/58/80/363275880.db2.gz LPHXWDWZTUCWNT-UHFFFAOYSA-N -1 1 222.247 3.014 50 30 BGEAMM C=C1c2ccccc2CC(=N[O-])c2ccccc21 ZINC000252616590 364079457 /nfs/dbraw/zinc/07/94/57/364079457.db2.gz KBJSOGOOFXMVPT-UHFFFAOYSA-N -1 1 235.286 3.483 50 30 BGEAMM [O-]N=C(c1ccccc1)c1nccc2ccccc21 ZINC000254315890 398303356 /nfs/dbraw/zinc/30/33/56/398303356.db2.gz DFSDPCZRFZIRHR-UHFFFAOYSA-N -1 1 248.285 3.461 50 30 BGEAMM [O-]c1ccc(Cl)cc1N=Cc1ccco1 ZINC000254735502 388354478 /nfs/dbraw/zinc/35/44/78/388354478.db2.gz ICJISLWERMRRBT-UHFFFAOYSA-N -1 1 221.643 3.389 50 30 BGEAMM