smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=S(=O)(F)Cc1ccccc1 8220691 560207591 /nfs/dbraw/zinc/20/75/91/560207591.db2.gz YBYRMVIVWMBXKQ-UHFFFAOYSA-N 0 0 174.196 1.486 50 70 in-vitro ADIARN CC(C)N=C=NC(C)C 8585903 560209613 /nfs/dbraw/zinc/20/96/13/560209613.db2.gz BDNKZNFMNDZQMI-UHFFFAOYSA-N 0 0 126.203 1.977 50 70 in-vitro ADIARN O=S(=O)(Cl)c1cccc(F)c1 59796721 562918365 /nfs/dbraw/zinc/91/83/65/562918365.db2.gz OKYSUJVCDXZGKE-UHFFFAOYSA-N 0 0 194.614 1.753 50 70 ADIARN O=S(=O)(F)c1ccc(Cl)nc1 257812945 566289541 /nfs/dbraw/zinc/28/95/41/566289541.db2.gz BYGVJIRECZWZDY-UHFFFAOYSA-N 0 0 195.602 1.393 50 70 ADIARN CCCCCC[SiH3] 170173637 490060326 /nfs/dbraw/zinc/06/03/26/490060326.db2.gz QGGUMTNPIYCTSF-UHFFFAOYSA-N 0 0 116.280 1.350 50 70 ADIARN CC(=O)c1cc2c(C)nc(C)cn2n1 217046163 166321596 /nfs/dbraw/zinc/32/15/96/166321596.db2.gz OSLUBXGIZDNGFI-UHFFFAOYSA-N 0 0 189.218 1.549 50 70 ADIARN CC(C)(C)[SiH2]c1ccccc1 169817865 166380718 /nfs/dbraw/zinc/38/07/18/166380718.db2.gz LLBSSEQAXQNVPC-UHFFFAOYSA-N 0 0 164.324 1.699 50 70 ADIARN COC(=O)c1noc2c1CCCC2 216713695 168139843 /nfs/dbraw/zinc/13/98/43/168139843.db2.gz VGZAJNBRGADOQY-UHFFFAOYSA-N 0 0 181.191 1.340 50 70 in-vitro ADIARN COCCOc1cccnc1OC 216701771 168171560 /nfs/dbraw/zinc/17/15/60/168171560.db2.gz SJOPCBLPDXZLHJ-UHFFFAOYSA-N 0 0 183.207 1.115 50 70 ADIARN COc1cc2c(=O)[nH]ccc2cc1F 217951806 168240613 /nfs/dbraw/zinc/24/06/13/168240613.db2.gz RSXDNPRKLJXPQD-UHFFFAOYSA-N 0 0 193.177 1.676 50 70 in-vitro ADIARN COc1ccnc2c1NCCC2 217428291 168280186 /nfs/dbraw/zinc/28/01/86/168280186.db2.gz BIPCJMIOUAHIFI-UHFFFAOYSA-N 0 0 164.208 1.448 50 70 ADIARN Cc1ccccc1[SiH2]c1ccccc1 169817677 168883955 /nfs/dbraw/zinc/88/39/55/168883955.db2.gz UKYIVTACCBIJFN-UHFFFAOYSA-N 0 0 198.341 1.115 50 70 ADIARN Cn1cc(-c2ccc(O)cc2)[nH]c1=O 216757573 169035463 /nfs/dbraw/zinc/03/54/63/169035463.db2.gz WTPIZWCIOLSTNR-UHFFFAOYSA-N 0 0 190.202 1.086 50 70 ADIARN N#CN1Cc2ccccc2C1 160654018 169106655 /nfs/dbraw/zinc/10/66/55/169106655.db2.gz JIKNSBXBRVGCNU-UHFFFAOYSA-N 0 0 144.177 1.483 50 70 ADIARN NC1=NC(=O)OC12CCCCC2 218778593 169145214 /nfs/dbraw/zinc/14/52/14/169145214.db2.gz UWSODYVSKWWDFJ-UHFFFAOYSA-N 0 0 168.196 1.406 50 70 ADIARN NC1=NC(=O)OC12CCCC2 218778462 169145340 /nfs/dbraw/zinc/14/53/40/169145340.db2.gz DSSBTQQMCDOFFL-UHFFFAOYSA-N 0 0 154.169 1.016 50 70 ADIARN C[SiH](C)c1ccc([SiH](C)C)cc1 169746215 171165915 /nfs/dbraw/zinc/16/59/15/171165915.db2.gz KQERVIARWMHFOS-UHFFFAOYSA-N 0 0 194.426 1.074 50 70 ADIARN C[SiH](C)c1ccccc1[SiH](C)C 169747114 171166019 /nfs/dbraw/zinc/16/60/19/171166019.db2.gz QAUCEYVYCBYVDK-UHFFFAOYSA-N 0 0 194.426 1.074 50 70 ADIARN CC[SiH](C)CC 170171885 171166024 /nfs/dbraw/zinc/16/60/24/171166024.db2.gz UUTZEAQZDHSEAL-UHFFFAOYSA-N 0 0 102.253 1.883 50 70 ADIARN C[SiH](C)[SiH](C)C 170155980 171166038 /nfs/dbraw/zinc/16/60/38/171166038.db2.gz RDWAGGBALVFUHB-UHFFFAOYSA-N 0 0 118.328 1.038 50 70 ADIARN CC[SiH](C)C 170172390 171166039 /nfs/dbraw/zinc/16/60/39/171166039.db2.gz QGBMSFLTRRZTGI-UHFFFAOYSA-N 0 0 88.226 1.493 50 70 ADIARN C[SiH](c1ccccc1)c1ccccc1 169746873 171166059 /nfs/dbraw/zinc/16/60/59/171166059.db2.gz FULSRCPEOUATID-UHFFFAOYSA-N 0 0 198.341 1.658 50 70 ADIARN C[SiH](C)[Si](C)(C)C 170153291 171166106 /nfs/dbraw/zinc/16/61/06/171166106.db2.gz FHQRQPAFALORSL-UHFFFAOYSA-N 0 0 132.355 1.890 50 70 ADIARN CC[SiH2]CC 169746937 171166256 /nfs/dbraw/zinc/16/62/56/171166256.db2.gz UCXUKTLCVSGCNR-UHFFFAOYSA-N 0 0 88.226 1.032 50 70 ADIARN CCc1ncnc(-n2ccnc2)c1F 217958825 344408534 /nfs/dbraw/zinc/40/85/34/344408534.db2.gz BKBGGVKRHFAACT-UHFFFAOYSA-N 0 0 192.197 1.364 50 70 ADIARN CC(C)[S@](C)(=N)=O 218318142 344411618 /nfs/dbraw/zinc/41/16/18/344411618.db2.gz WQTVBSJHCGLRDL-SSDOTTSWSA-N 0 0 121.205 1.071 50 70 ADIARN CC(C)n1nc(C2CC2)cc1N 217641287 344404159 /nfs/dbraw/zinc/40/41/59/344404159.db2.gz PLXODNIJQHTNTE-UHFFFAOYSA-N 0 0 165.240 1.924 50 70 ADIARN N#Cc1ccc(CS(=O)(=O)F)cc1 238854461 268078536 /nfs/dbraw/zinc/07/85/36/268078536.db2.gz NVNFDZVQCDSLSO-UHFFFAOYSA-N 0 0 199.206 1.358 50 70 ADIARN N#Cc1ccccc1S(=O)(=O)F 143287009 268285130 /nfs/dbraw/zinc/28/51/30/268285130.db2.gz QUTDICSOQYSJEE-UHFFFAOYSA-N 0 0 185.179 1.216 50 70 ADIARN NC(=S)c1cc(O)cc(F)c1 159747015 344151657 /nfs/dbraw/zinc/15/16/57/344151657.db2.gz HVBVMWYZQIFYKL-UHFFFAOYSA-N 0 0 171.196 1.166 50 70 ADIARN Nc1ncc(CC2CCOCC2)s1 159878633 344153507 /nfs/dbraw/zinc/15/35/07/344153507.db2.gz FHIIGBWFPHKVHC-UHFFFAOYSA-N 0 0 198.291 1.694 50 70 ADIARN Nc1ncc(C[C@H]2CCCO2)s1 159878481 344153650 /nfs/dbraw/zinc/15/36/50/344153650.db2.gz SILRUSRMJBFWJV-ZCFIWIBFSA-N 0 0 184.264 1.447 50 70 ADIARN Nc1ncc(C[C@@H]2CCCO2)s1 159878378 344153668 /nfs/dbraw/zinc/15/36/68/344153668.db2.gz SILRUSRMJBFWJV-LURJTMIESA-N 0 0 184.264 1.447 50 70 ADIARN COc1cccc2c1NC(=O)CS2 161363330 344190065 /nfs/dbraw/zinc/19/00/65/344190065.db2.gz VNQNDJCJXFTIEV-UHFFFAOYSA-N 0 0 195.243 1.739 50 70 ADIARN [SiH3]CCC(Cl)(Cl)Cl 206570909 344375716 /nfs/dbraw/zinc/37/57/16/344375716.db2.gz ZBGFOKCJIRECBU-UHFFFAOYSA-N 0 0 177.534 1.530 50 70 ADIARN Cc1nc2c(F)cccc2c(=O)o1 216657073 344398782 /nfs/dbraw/zinc/39/87/82/344398782.db2.gz MVGVMSZJEPBERH-UHFFFAOYSA-N 0 0 179.150 1.636 50 70 in-vitro ADIARN CC(=O)c1ccc(C(N)=O)c(F)c1 217602167 344403971 /nfs/dbraw/zinc/40/39/71/344403971.db2.gz XNTBPMNZSJJCQO-UHFFFAOYSA-N 0 0 181.166 1.127 50 70 ADIARN CC(=O)N[C@@H]1CCC[C@@H](C)[C@@H]1C 217649749 344404252 /nfs/dbraw/zinc/40/42/52/344404252.db2.gz OIBJTWMCVWFBNL-KHQFGBGNSA-N 0 0 169.268 1.947 50 70 ADIARN CC(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C 217649920 344404396 /nfs/dbraw/zinc/40/43/96/344404396.db2.gz OIBJTWMCVWFBNL-OYNCUSHFSA-N 0 0 169.268 1.947 50 70 ADIARN CCOc1cc(O)ccc1F 218049904 344409457 /nfs/dbraw/zinc/40/94/57/344409457.db2.gz RFQOXAKVIWOVAB-UHFFFAOYSA-N 0 0 156.156 1.930 50 70 ADIARN CC(C)[S@@](C)(=N)=O 218318070 344411472 /nfs/dbraw/zinc/41/14/72/344411472.db2.gz WQTVBSJHCGLRDL-ZETCQYMHSA-N 0 0 121.205 1.071 50 70 ADIARN CC(C)c1noc(CN(C)C)n1 218595315 344414083 /nfs/dbraw/zinc/41/40/83/344414083.db2.gz MTKCFIMZCDHHIP-UHFFFAOYSA-N 0 0 169.228 1.255 50 70 ADIARN C[SiH2]C=C(Cl)Cl 575444265 352206686 /nfs/dbraw/zinc/20/66/86/352206686.db2.gz BUVFGESGZARVAX-UHFFFAOYSA-N 0 0 141.073 1.480 50 70 ADIARN