smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc(C)n1-c1ccc(C(F)(F)F)cc1 ZINC000000106625 178509164 /nfs/dbraw/zinc/50/91/64/178509164.db2.gz UWHVRMCDWMXTOE-UHFFFAOYSA-N 0 0 239.240 4.113 50 10 BICARN Nc1ccc(CSc2ccc(Cl)cc2)cc1 ZINC000000167872 342678880 /nfs/dbraw/zinc/67/88/80/342678880.db2.gz GLWJXRWRWISHMX-UHFFFAOYSA-N 0 0 249.766 4.215 50 10 BICARN Cc1csc(C2Sc3ccccc3C2=O)n1 ZINC000000169003 342678912 /nfs/dbraw/zinc/67/89/12/342678912.db2.gz CKTCKDPHWPJIPT-UHFFFAOYSA-N 0 0 247.344 4.039 50 10 BICARN Cc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1 ZINC000000180119 388584141 /nfs/dbraw/zinc/58/41/41/388584141.db2.gz WBDSXISQIHMTGL-UHFFFAOYSA-N 0 0 234.302 4.052 50 10 BICARN c1ccc(C2Nc3cccc4cccc(c43)N2)cc1 ZINC000000228756 183390379 /nfs/dbraw/zinc/39/03/79/183390379.db2.gz XBIHZOVRMJOAEQ-UHFFFAOYSA-N 0 0 246.313 4.376 50 10 BICARN c1cc2cccc3c2c(c1)NC1(CCCCC1)N3 ZINC000000301915 183374901 /nfs/dbraw/zinc/37/49/01/183374901.db2.gz KMAVVPHOTMNZLL-UHFFFAOYSA-N 0 0 238.334 4.338 50 10 BICARN CN(C)/N=N/c1ccc(Oc2ccccc2)cc1 ZINC000000306265 172353032 /nfs/dbraw/zinc/35/30/32/172353032.db2.gz MLBJCWMBHRMYMV-FOCLMDBBSA-N 0 0 241.294 4.039 50 10 BICARN Nc1ccc(Oc2cccc3ccccc32)cc1 ZINC000000335315 181723430 /nfs/dbraw/zinc/72/34/30/181723430.db2.gz PYGYJLHOEOYGIA-UHFFFAOYSA-N 0 0 235.286 4.214 50 10 BICARN C[C@H](Nc1ccccc1)c1cc(Cl)ccc1O ZINC000000350134 176936825 /nfs/dbraw/zinc/93/68/25/176936825.db2.gz MATVPDBTWMRCSZ-JTQLQIEISA-N 0 0 247.725 4.219 50 10 BICARN C[C@@H](Nc1ccccc1)c1cc(Cl)ccc1O ZINC000000350135 344721084 /nfs/dbraw/zinc/72/10/84/344721084.db2.gz MATVPDBTWMRCSZ-SNVBAGLBSA-N 0 0 247.725 4.219 50 10 BICARN CC(C)c1ccc(CNc2ccc(O)cc2)cc1 ZINC000000359737 342684936 /nfs/dbraw/zinc/68/49/36/342684936.db2.gz LUSPRVZFGGKPQT-UHFFFAOYSA-N 0 0 241.334 4.128 50 10 BICARN Cc1ccc(C)n1-c1cccc(Cl)c1Cl ZINC000000361442 178509195 /nfs/dbraw/zinc/50/91/95/178509195.db2.gz DYVJPIZUNZZUKT-UHFFFAOYSA-N 0 0 240.133 4.401 50 10 BICARN Cc1cc(C(C)(C)CC(C)(C)C)cc(O)c1O ZINC000000393768 383863228 /nfs/dbraw/zinc/86/32/28/383863228.db2.gz OKBGUIZGNSPYGU-UHFFFAOYSA-N 0 0 236.355 4.120 50 10 BICARN Cc1cc(O)c(O)c(C(C)(C)CC(C)(C)C)c1 ZINC000000393769 178197382 /nfs/dbraw/zinc/19/73/82/178197382.db2.gz KEUANYXDVWBCRM-UHFFFAOYSA-N 0 0 236.355 4.120 50 10 BICARN CC(C)Nc1ccc(Nc2ccccc2)cc1 ZINC000000393922 167148353 /nfs/dbraw/zinc/14/83/53/167148353.db2.gz OUBMGJOQLXMSNT-UHFFFAOYSA-N 0 0 226.323 4.251 50 10 in-vitro BICARN Oc1ccccc1CNc1cccc2ccccc21 ZINC000000401250 183303109 /nfs/dbraw/zinc/30/31/09/183303109.db2.gz XEDQHQRJZJKBAQ-UHFFFAOYSA-N 0 0 249.313 4.158 50 10 BICARN CC(C)c1ccc(NCc2ccccc2O)cc1 ZINC000000407510 342686974 /nfs/dbraw/zinc/68/69/74/342686974.db2.gz SQWIAVFACXNAKF-UHFFFAOYSA-N 0 0 241.334 4.128 50 10 BICARN Cc1cc(C=O)c(C)n1-c1ccc2ccccc2c1 ZINC000000449669 342687880 /nfs/dbraw/zinc/68/78/80/342687880.db2.gz RQNRDDLLJCHDFK-UHFFFAOYSA-N 0 0 249.313 4.060 50 10 BICARN Oc1ccc(NCc2cccc3ccccc32)cc1 ZINC000000505538 183276176 /nfs/dbraw/zinc/27/61/76/183276176.db2.gz HGAUOHWLZURBSZ-UHFFFAOYSA-N 0 0 249.313 4.158 50 10 BICARN Cc1ccc(-c2ccccc2)n1-c1ccccc1O ZINC000000566433 178327062 /nfs/dbraw/zinc/32/70/62/178327062.db2.gz QVRAAGOOODDPHO-UHFFFAOYSA-N 0 0 249.313 4.158 50 10 BICARN Cc1ccc(C)n1-c1cccc2ccccc21 ZINC000000977546 342695268 /nfs/dbraw/zinc/69/52/68/342695268.db2.gz UCWRRXOWTMTMQH-UHFFFAOYSA-N 0 0 221.303 4.247 50 10 BICARN CC(C)(C)c1ccc(Oc2ccc(N)cc2)cc1 ZINC000000991354 342695645 /nfs/dbraw/zinc/69/56/45/342695645.db2.gz FHOZTGQNSUZCIN-UHFFFAOYSA-N 0 0 241.334 4.359 50 10 BICARN Cc1ccc(C)n1-c1ccc(C(C)(C)C)cc1 ZINC000001005787 342695864 /nfs/dbraw/zinc/69/58/64/342695864.db2.gz WKKSEVXSFNORKN-UHFFFAOYSA-N 0 0 227.351 4.392 50 10 BICARN Cc1ccc(C)n1-c1ccc2nc(C)sc2c1 ZINC000001098259 180086895 /nfs/dbraw/zinc/08/68/95/180086895.db2.gz VAQWONMDBMDPLN-UHFFFAOYSA-N 0 0 242.347 4.012 50 10 BICARN Cc1ccc(C)n1-c1ccc2ccccc2c1 ZINC000001107800 342697726 /nfs/dbraw/zinc/69/77/26/342697726.db2.gz PTFPPZOORGLQTD-UHFFFAOYSA-N 0 0 221.303 4.247 50 10 BICARN Cc1cc(C=O)c(C)n1-c1cccc2ccccc21 ZINC000001410507 342700431 /nfs/dbraw/zinc/70/04/31/342700431.db2.gz VFVGOFDVIDSZQD-UHFFFAOYSA-N 0 0 249.313 4.060 50 10 BICARN CN(C)c1ccc(/C=C2\C=Cc3ccccc32)cc1 ZINC000001507302 355918009 /nfs/dbraw/zinc/91/80/09/355918009.db2.gz HXVZHTQDVDNJMN-DTQAZKPQSA-N 0 0 247.341 4.320 50 10 BICARN Cc1ccc(-c2ccccc2)n1-c1ccccc1 ZINC000001592760 178326742 /nfs/dbraw/zinc/32/67/42/178326742.db2.gz RLDRAUJFJHRQAE-UHFFFAOYSA-N 0 0 233.314 4.453 50 10 BICARN CCCCc1ccc(-c2nc(N)sc2C)cc1 ZINC000002112150 169019752 /nfs/dbraw/zinc/01/97/52/169019752.db2.gz OHFRQNABFFOQCB-UHFFFAOYSA-N 0 0 246.379 4.043 50 10 BICARN C/C(=C/c1ccccc1)c1ccc2c(c1)CCN2C ZINC000002480968 188156496 /nfs/dbraw/zinc/15/64/96/188156496.db2.gz GOIRTNHLSVEQQC-OWBHPGMISA-N 0 0 249.357 4.239 50 10 BICARN Cc1ccc(C)n1-c1cc(Cl)cc(Cl)c1 ZINC000002575170 342725303 /nfs/dbraw/zinc/72/53/03/342725303.db2.gz PZQGRGDARNXLSP-UHFFFAOYSA-N 0 0 240.133 4.401 50 10 BICARN Cc1ccc(C)n1-c1cccc(Cl)c1C ZINC000002653470 177598888 /nfs/dbraw/zinc/59/88/88/177598888.db2.gz SSUQWNMYUNHDNV-UHFFFAOYSA-N 0 0 219.715 4.056 50 10 BICARN Nc1ccc(Oc2ccc3ccccc3c2)cc1 ZINC000003159907 342730992 /nfs/dbraw/zinc/73/09/92/342730992.db2.gz FLSZEMCAUKGBBK-UHFFFAOYSA-N 0 0 235.286 4.214 50 10 BICARN Cc1ccc(C)n1-c1cccc(C(F)(F)F)c1 ZINC000003361024 342732877 /nfs/dbraw/zinc/73/28/77/342732877.db2.gz DVPGIUYXJKUREU-UHFFFAOYSA-N 0 0 239.240 4.113 50 10 BICARN COc1ccc(N=Nc2ccccc2)cc1 ZINC000003852700 342738449 /nfs/dbraw/zinc/73/84/49/342738449.db2.gz LGCRPKOHRIXSEG-UHFFFAOYSA-N 0 0 212.252 4.111 50 10 BICARN CN(C)c1ccc(/N=N/c2ccccc2)cc1 ZINC000003852714 342738408 /nfs/dbraw/zinc/73/84/08/342738408.db2.gz JCYPECIVGRXBMO-FOCLMDBBSA-N 0 0 225.295 4.168 50 10 in-vitro BICARN Cc1ccccc1/N=N/c1ccc(N)c(C)c1 ZINC000003860960 342738317 /nfs/dbraw/zinc/73/83/17/342738317.db2.gz PFRYFZZSECNQOL-WUKNDPDISA-N 0 0 225.295 4.301 50 10 in-vitro BICARN CN(C)c1ccc(/N=N/c2ccc(F)cc2)cc1 ZINC000003874055 353512607 /nfs/dbraw/zinc/51/26/07/353512607.db2.gz OQJQPXJGJJPOEK-WUKNDPDISA-N 0 0 243.285 4.307 50 10 BICARN CC(=O)c1ccc(NN=C2C=CC(=O)C=C2)cc1 ZINC000003894590 384033933 /nfs/dbraw/zinc/03/39/33/384033933.db2.gz WSJNBEDQXYXNRE-FOCLMDBBSA-N 0 0 240.262 4.010 50 10 BICARN Cc1cccc(/N=N/N(C)c2ccccc2)c1 ZINC000003898527 179003180 /nfs/dbraw/zinc/00/31/80/179003180.db2.gz WZQUKEYNINDZON-FOCLMDBBSA-N 0 0 225.295 4.130 50 10 BICARN Cc1ccc(-c2ccccc2)n1-c1ccc(O)cc1 ZINC000003904330 178326942 /nfs/dbraw/zinc/32/69/42/178326942.db2.gz HHGKCNCOXGVTGT-UHFFFAOYSA-N 0 0 249.313 4.158 50 10 BICARN Cc1ccc(C)n1-c1ccccc1C(F)(F)F ZINC000004003868 342740558 /nfs/dbraw/zinc/74/05/58/342740558.db2.gz RXYYBCWWVVOBNE-UHFFFAOYSA-N 0 0 239.240 4.113 50 10 BICARN Cc1ccc(C)n1-c1ccc(Cl)c(Cl)c1 ZINC000004054474 352633793 /nfs/dbraw/zinc/63/37/93/352633793.db2.gz NCDPUUHTNZPKBK-UHFFFAOYSA-N 0 0 240.133 4.401 50 10 BICARN CC(C)c1ccc(Oc2ccc(N)cc2)cc1 ZINC000004227348 342744940 /nfs/dbraw/zinc/74/49/40/342744940.db2.gz BPSFDLNXDUBTKE-UHFFFAOYSA-N 0 0 227.307 4.185 50 10 BICARN CC(C)c1ccccc1Oc1ccc(N)cc1 ZINC000004227350 342744907 /nfs/dbraw/zinc/74/49/07/342744907.db2.gz IURPDABVLJUJCT-UHFFFAOYSA-N 0 0 227.307 4.185 50 10 BICARN Cc1ccc(/N=N/c2ccc(N(C)C)cc2)cc1 ZINC000004244754 178360227 /nfs/dbraw/zinc/36/02/27/178360227.db2.gz IPIZWPBCCYXHDW-WUKNDPDISA-N 0 0 239.322 4.476 50 10 BICARN CC(=O)Nc1ccc(/N=N/c2ccccc2)s1 ZINC000004350669 188276860 /nfs/dbraw/zinc/27/68/60/188276860.db2.gz ZVWAGQIPCUJOEU-CCEZHUSRSA-N 0 0 245.307 4.122 50 10 BICARN Cc1ccc(/N=N/c2ccc([N+](=O)[O-])cc2)cc1 ZINC000004461716 178361252 /nfs/dbraw/zinc/36/12/52/178361252.db2.gz ILLZCQXUVXWGJA-CCEZHUSRSA-N 0 0 241.250 4.319 50 10 BICARN CC1=CC(=NNc2ccccc2)C(C)=CC1=O ZINC000004506704 342748396 /nfs/dbraw/zinc/74/83/96/342748396.db2.gz OZBDUTKSQPNBAG-FOCLMDBBSA-N 0 0 226.279 4.424 50 10 BICARN CC1=CC(=O)C=C(C)C1=NNc1ccccc1 ZINC000004545053 187246732 /nfs/dbraw/zinc/24/67/32/187246732.db2.gz XZJZXPFFLHBNGJ-FOCLMDBBSA-N 0 0 226.279 4.424 50 10 BICARN O=C1C=CC(=NNc2ccccc2)c2cccnc21 ZINC000004615509 183268279 /nfs/dbraw/zinc/26/82/79/183268279.db2.gz NZQIIFNACVSQRR-ISLYRVAYSA-N 0 0 249.273 4.356 50 10 BICARN CNc1ccc(/N=N/c2cccc(C)c2)cc1 ZINC000004772935 384081516 /nfs/dbraw/zinc/08/15/16/384081516.db2.gz OXSUISUHALSWMH-WUKNDPDISA-N 0 0 225.295 4.452 50 10 BICARN Cc1cccc(/N=N/c2ccc(N)cc2C)c1 ZINC000004772953 179003443 /nfs/dbraw/zinc/00/34/43/179003443.db2.gz IVUQHXKKRQEFBU-WUKNDPDISA-N 0 0 225.295 4.301 50 10 BICARN CC(=O)c1cccc(N=Nc2ccccc2)c1 ZINC000004796017 384079277 /nfs/dbraw/zinc/07/92/77/384079277.db2.gz AJRUHOZJSBSJJL-FOCLMDBBSA-N 0 0 224.263 4.305 50 10 BICARN C[N+](C)([O-])c1ccc(/N=N/c2ccccc2)cc1 ZINC000004797616 387234134 /nfs/dbraw/zinc/23/41/34/387234134.db2.gz XHTVNOLAJVJNLK-FOCLMDBBSA-N 0 0 241.294 4.167 50 10 BICARN CC(=O)c1ccc(N=Nc2ccccc2)cc1 ZINC000004798948 166452416 /nfs/dbraw/zinc/45/24/16/166452416.db2.gz UYXKSJRBCLSBNE-FOCLMDBBSA-N 0 0 224.263 4.305 50 10 BICARN Cc1ccc(NN=C2C=C(C)C=CC2=O)cc1 ZINC000004821924 178359298 /nfs/dbraw/zinc/35/92/98/178359298.db2.gz URSCSFZTBPKRQX-FOCLMDBBSA-N 0 0 226.279 4.424 50 10 BICARN COc1ccccc1NN=C1C=C(C)C=CC1=O ZINC000004828632 175315808 /nfs/dbraw/zinc/31/58/08/175315808.db2.gz NGKLXCVKOHCAII-FOCLMDBBSA-N 0 0 242.278 4.125 50 10 BICARN O=[N+]([O-])c1cc(/N=N/c2ccccc2)ccc1F ZINC000004829811 136331460 /nfs/dbraw/zinc/33/14/60/136331460.db2.gz BMKSLNDTZAAICN-CCEZHUSRSA-N 0 0 245.213 4.149 50 10 BICARN Cc1ccc(NN=C2C=CC(=O)C=C2)cc1 ZINC000004948010 635168503 /nfs/dbraw/zinc/16/85/03/635168503.db2.gz PLPWYNVDCPPLMM-CCEZHUSRSA-N 0 0 212.252 4.116 50 10 BICARN COC1=CC(=NNc2ccccc2C)C(=O)C=C1 ZINC000004989946 342755986 /nfs/dbraw/zinc/75/59/86/342755986.db2.gz POEVBPFRQOJGBR-FOCLMDBBSA-N 0 0 242.278 4.125 50 10 BICARN CN(C)c1ccc(/C=C2\CCc3ccccc32)cc1 ZINC000005422963 188157684 /nfs/dbraw/zinc/15/76/84/188157684.db2.gz XGXYPOJSHFIRHQ-DTQAZKPQSA-N 0 0 249.357 4.239 50 10 BICARN Cc1cc(C=O)c(C)n1-c1ccc(C(C)C)cc1 ZINC000005587453 177950498 /nfs/dbraw/zinc/95/04/98/177950498.db2.gz PDMHHKSGMABDFI-UHFFFAOYSA-N 0 0 241.334 4.030 50 10 BICARN COc1ccc(/N=N/c2ccccc2)c(OC)c1 ZINC000005733082 175049842 /nfs/dbraw/zinc/04/98/42/175049842.db2.gz ILPDRVDQZSFGNG-FOCLMDBBSA-N 0 0 242.278 4.119 50 10 BICARN CCC1=CC(=NNc2ccccc2)C(=O)C=C1 ZINC000005877418 171822890 /nfs/dbraw/zinc/82/28/90/171822890.db2.gz CTVADTSNUUHIPU-FOCLMDBBSA-N 0 0 226.279 4.370 50 10 BICARN Cc1ccc(C(C)C)c(Oc2ccc(N)cc2)c1 ZINC000007468034 178452920 /nfs/dbraw/zinc/45/29/20/178452920.db2.gz VLWCZCOUSODQOX-UHFFFAOYSA-N 0 0 241.334 4.493 50 10 BICARN Nc1ccc(OCc2cccc3ccccc32)cc1 ZINC000008703693 342803004 /nfs/dbraw/zinc/80/30/04/342803004.db2.gz SOMGZSWGJSOAEK-UHFFFAOYSA-N 0 0 249.313 4.001 50 10 BICARN Cc1cc(Oc2ccc(N)cc2)cc(C)c1Cl ZINC000011804871 178214446 /nfs/dbraw/zinc/21/44/46/178214446.db2.gz IGVZXXJGQNYWRE-UHFFFAOYSA-N 0 0 247.725 4.331 50 10 BICARN Cc1cc(Oc2ccc(N)cc2)ccc1Cl ZINC000011804872 178214116 /nfs/dbraw/zinc/21/41/16/178214116.db2.gz USOPVVWQPSBPTH-UHFFFAOYSA-N 0 0 233.698 4.023 50 10 BICARN CC(C)c1cccc(Oc2ccc(N)cc2)c1 ZINC000011804874 342843500 /nfs/dbraw/zinc/84/35/00/342843500.db2.gz COTFNJSMXMSJJY-UHFFFAOYSA-N 0 0 227.307 4.185 50 10 BICARN CN(C)c1ccc(N=Nc2ccccc2)cc1 ZINC000012358939 368371745 /nfs/dbraw/zinc/37/17/45/368371745.db2.gz JCYPECIVGRXBMO-UHFFFAOYSA-N 0 0 225.295 4.168 50 10 in-vitro BICARN COc1ccc(/N=N/c2ccccc2)cc1 ZINC000012359039 175049645 /nfs/dbraw/zinc/04/96/45/175049645.db2.gz LGCRPKOHRIXSEG-CCEZHUSRSA-N 0 0 212.252 4.111 50 10 BICARN COc1ccc(NN=C2C=C(C)C=CC2=O)cc1 ZINC000013125802 175049958 /nfs/dbraw/zinc/04/99/58/175049958.db2.gz PJOMBGVJOKGTBT-FOCLMDBBSA-N 0 0 242.278 4.125 50 10 BICARN Nc1ccc(/N=N/c2ccccc2)c2cccnc12 ZINC000013144651 371015385 /nfs/dbraw/zinc/01/53/85/371015385.db2.gz GKWYJSSQUCGNJB-VHEBQXMUSA-N 0 0 248.289 4.232 50 10 BICARN CCc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1 ZINC000013281668 371030874 /nfs/dbraw/zinc/03/08/74/371030874.db2.gz JFGCBMQXGWFESU-UHFFFAOYSA-N 0 0 248.329 4.306 50 10 BICARN Cc1ccc(Cl)c(Oc2ccc(N)cc2)c1 ZINC000014630127 178658686 /nfs/dbraw/zinc/65/86/86/178658686.db2.gz RDQUFUIRVSSYFJ-UHFFFAOYSA-N 0 0 233.698 4.023 50 10 BICARN Cc1ccc(C(C)C)cc1Oc1ccc(N)cc1 ZINC000014630129 384399199 /nfs/dbraw/zinc/39/91/99/384399199.db2.gz MPJNNACEUHQUPK-UHFFFAOYSA-N 0 0 241.334 4.493 50 10 BICARN CC(C)(C)c1cccc(Oc2ccc(N)cc2)c1 ZINC000014630139 384398946 /nfs/dbraw/zinc/39/89/46/384398946.db2.gz NHFNZSYJILMERN-UHFFFAOYSA-N 0 0 241.334 4.359 50 10 BICARN S=C(SCc1ccccc1)c1ccccc1 ZINC000014982186 183312578 /nfs/dbraw/zinc/31/25/78/183312578.db2.gz ZCKPFAYILJKXAT-UHFFFAOYSA-N 0 0 244.384 4.296 50 10 BICARN CN(C)c1ccc(/C=C2/C=Cc3ccccc32)cc1 ZINC000015768717 355844471 /nfs/dbraw/zinc/84/44/71/355844471.db2.gz HXVZHTQDVDNJMN-SSZFMOIBSA-N 0 0 247.341 4.320 50 10 BICARN CN(C)c1ccc(/C=C2/CCc3ccccc32)cc1 ZINC000017428625 384234643 /nfs/dbraw/zinc/23/46/43/384234643.db2.gz XGXYPOJSHFIRHQ-SSZFMOIBSA-N 0 0 249.357 4.239 50 10 BICARN Cc1ccc(/N=N\Nc2ccc(C)cc2)cc1 ZINC000017824914 178361582 /nfs/dbraw/zinc/36/15/82/178361582.db2.gz XHAYNCDFLBEADB-UHFFFAOYSA-N 0 0 225.295 4.414 50 10 BICARN COc1ccccc1/N=N/c1ccccc1 ZINC000017995128 524328168 /nfs/dbraw/zinc/32/81/68/524328168.db2.gz JDNOCURWWICHSA-CCEZHUSRSA-N 0 0 212.252 4.111 50 10 BICARN Cc1cccc(/N=N/c2ccc(N(C)C)cc2)c1 ZINC000018021896 179003530 /nfs/dbraw/zinc/00/35/30/179003530.db2.gz LVTFSVIRYMXRSR-WUKNDPDISA-N 0 0 239.322 4.476 50 10 in-vitro BICARN Cc1ccc(NN=Nc2ccccc2)cc1 ZINC000018037425 178710847 /nfs/dbraw/zinc/71/08/47/178710847.db2.gz XBDIVOBVOAPQFD-UHFFFAOYSA-N 0 0 211.268 4.106 50 10 BICARN Cc1cc(/N=N/c2ccccc2)cc(C)c1N ZINC000018043882 342931016 /nfs/dbraw/zinc/93/10/16/342931016.db2.gz JQCBQKOMEJVLPH-WUKNDPDISA-N 0 0 225.295 4.301 50 10 BICARN O=[N+]([O-])c1ccc(/N=N/c2ccccc2)cc1 ZINC000018084630 182929094 /nfs/dbraw/zinc/92/90/94/182929094.db2.gz TZTDJBMGPQLSLI-BUHFOSPRSA-N 0 0 227.223 4.010 50 10 BICARN CN(C)c1ccc(/N=N/c2cccc(F)c2)cc1 ZINC000018085361 172549111 /nfs/dbraw/zinc/54/91/11/172549111.db2.gz QPSNWMWKJWYOMD-WUKNDPDISA-N 0 0 243.285 4.307 50 10 BICARN COc1ccc(/N=N/c2ccc(OC)cc2)cc1 ZINC000018099014 175049796 /nfs/dbraw/zinc/04/97/96/175049796.db2.gz ICHNIWWYEHETFJ-FOCLMDBBSA-N 0 0 242.278 4.119 50 10 BICARN CC1=CC(=NNc2ccccc2)C=CC1=O ZINC000018101898 342931558 /nfs/dbraw/zinc/93/15/58/342931558.db2.gz YJHZQWSSAFUAIG-CCEZHUSRSA-N 0 0 212.252 4.116 50 10 BICARN Cc1ccc(/N=N/c2cc(C)ccc2N)cc1 ZINC000018143498 178360106 /nfs/dbraw/zinc/36/01/06/178360106.db2.gz BBVUAJTZGSWJDD-WUKNDPDISA-N 0 0 225.295 4.301 50 10 BICARN CC(=O)Nc1ccc(/N=N/c2ccccc2)cc1 ZINC000018143508 384500566 /nfs/dbraw/zinc/50/05/66/384500566.db2.gz WSHHPNYAXLDUTG-WUKNDPDISA-N 0 0 239.278 4.060 50 10 BICARN CCc1ccc(/N=N/c2cccn2C)cc1 ZINC000020064340 171782439 /nfs/dbraw/zinc/78/24/39/171782439.db2.gz 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