smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[N+](C)(C)C[C@H](Cn1cnc2c1ncnc2N)OC[P@@](=O)([O-])O ZINC000026983184 202151202 /nfs/dbraw/zinc/15/12/02/202151202.db2.gz PBXFYMBAUXCIFL-VIFPVBQESA-O 0 0 345.320 -0.365 1 5 EBBFRN C[C@@H]1C(=O)O[C@@H]2CC[N@+]3([O-])CC=C(COC(=O)[C@](C)(O)[C@@]1(C)O)[C@@H]23 ZINC000256429204 296263681 /nfs/dbraw/zinc/26/36/81/296263681.db2.gz LHVAZUAALQTANZ-TZRCEYMBSA-N 0 0 341.360 -0.380 1 5 EBBFRN O=c1[nH]c2cc([N+](=O)[O-])cc(C[NH2+]CC[P@](=O)([O-])O)c2[nH]c1=O ZINC000026505474 202145452 /nfs/dbraw/zinc/14/54/52/202145452.db2.gz CVVQUZACMDLTGQ-UHFFFAOYSA-N 0 0 344.220 -0.608 1 5 EBBFRN C[C@@H]1C(=O)O[C@@H]2CC[N+]3([O-])CC=C(COC(=O)[C@@](C)(O)[C@@]1(C)O)[C@@H]23 ZINC000014594855 717110591 /nfs/dbraw/zinc/11/05/91/717110591.db2.gz LHVAZUAALQTANZ-JTEYUDNNSA-N 0 0 341.360 -0.380 1 5 EBBFRN C[C@H](Cn1ncnn1)n1cnc2cc3c(cc2c1=O)nnn(C)c3=O ZINC000073142302 203257385 /nfs/dbraw/zinc/25/73/85/203257385.db2.gz DXJYZCJBNVIXRD-MRVPVSSYSA-N 0 0 339.319 -0.714 1 5 EBBFRN C[C@H](Cn1ccnn1)n1cnc2cc3c(cc2c1=O)nnn(C)c3=O ZINC000073142308 203257597 /nfs/dbraw/zinc/25/75/97/203257597.db2.gz COGLGAQTLJQGPS-SECBINFHSA-N 0 0 338.331 -0.109 1 5 EBBFRN C[C@H](Cn1nccn1)n1cnc2cc3c(cc2c1=O)nnn(C)c3=O ZINC000073142305 203257763 /nfs/dbraw/zinc/25/77/63/203257763.db2.gz QFYYVLWZTHDIDH-SECBINFHSA-N 0 0 338.331 -0.109 1 5 EBBFRN C[N+](C)(C)C[C@@H](Cn1cnc2c1ncnc2N)OC[P@@](=O)([O-])O ZINC000026983176 202151457 /nfs/dbraw/zinc/15/14/57/202151457.db2.gz PBXFYMBAUXCIFL-SECBINFHSA-O 0 0 345.320 -0.365 1 5 EBBFRN C[C@H]1C(=O)O[C@@H]2CC[N+]3([O-])CC=C(COC(=O)[C@@](C)(O)[C@@]1(C)O)[C@@H]23 ZINC000014594856 201938917 /nfs/dbraw/zinc/93/89/17/201938917.db2.gz LHVAZUAALQTANZ-GBZJTILMSA-N 0 0 341.360 -0.380 1 5 EBBFRN C[C@H]1C(=O)O[C@@H]2CC[N+]3([O-])CC=C(COC(=O)[C@](C)(O)[C@]1(C)O)[C@H]23 ZINC000040395410 560078967 /nfs/dbraw/zinc/07/89/67/560078967.db2.gz LHVAZUAALQTANZ-ANYXPJNNSA-N 0 0 341.360 -0.380 1 5 biogenic,in-vitro EBBFRN CO[C@@H](C)[C@](O)(C(=O)OCC1=CC[N@@+]2([O-])CC[C@H](O)[C@@H]12)C(C)(C)O ZINC000253798405 717168569 /nfs/dbraw/zinc/16/85/69/717168569.db2.gz UPYLKTQCLCBJQP-OBWXAGNPSA-N 0 0 345.392 -0.546 1 5 EBBFRN CC(=O)Nc1nc(N[C@H](CO)[C@@H](O)CO)c(Cl)nc1[N+](=O)[O-] ZINC000029390863 202186073 /nfs/dbraw/zinc/18/60/73/202186073.db2.gz UZMYEJUXHOINRN-RITPCOANSA-N 0 0 335.704 -0.877 1 5 EBBFRN CO[C@H](C)[C@](O)(C(=O)OCC1=CC[N+]2([O-])CC[C@H](O)[C@@H]12)C(C)(C)O ZINC000006037052 717103461 /nfs/dbraw/zinc/10/34/61/717103461.db2.gz UPYLKTQCLCBJQP-BWQHOVBPSA-N 0 0 345.392 -0.546 1 5 EBBFRN NS(=O)(=O)c1cn(-c2ccc([N+](=O)[O-])c3nonc32)ccc1=O ZINC000064532276 214790724 /nfs/dbraw/zinc/79/07/24/214790724.db2.gz XGMTYCRIFZNDGR-UHFFFAOYSA-N 0 0 337.273 -0.071 1 5 EBBFRN O=[N+]([O-])c1cc(Cl)nc2c1ncn2[C@H]1O[C@H](CO)[C@@H](O)[C@H]1O ZINC000049792485 214033180 /nfs/dbraw/zinc/03/31/80/214033180.db2.gz OBUJRIPSESNDHM-HUQDZECVSA-N 0 0 330.684 -0.396 1 5 EBBFRN C[C@@H]1C(=O)O[C@@H]2CC[N@+]3([O-])CC=C(COC(=O)[C@](C)(O)[C@]1(C)O)[C@@H]23 ZINC000256429198 717177338 /nfs/dbraw/zinc/17/73/38/717177338.db2.gz LHVAZUAALQTANZ-CYRWULLRSA-N 0 0 341.360 -0.380 1 5 EBBFRN O=C(NC[C@H](O)CO)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1N1CC1 ZINC000026979726 212543964 /nfs/dbraw/zinc/54/39/64/212543964.db2.gz MMLLXJUCSUFXKG-QMMMGPOBSA-N 0 0 326.265 -0.594 1 5 EBBFRN CO[C@@H](C)[C@@](O)(C(=O)OCC1=CC[N+]2([O-])CC[C@H](O)[C@@H]12)C(C)(C)O ZINC000197382478 717158800 /nfs/dbraw/zinc/15/88/00/717158800.db2.gz UPYLKTQCLCBJQP-LMRZYYRHSA-N 0 0 345.392 -0.546 1 5 EBBFRN CO[C@@H](C)[C@](O)(C(=O)OCC1=CC[N+]2([O-])CC[C@H](O)[C@@H]12)C(C)(C)O ZINC000006030281 717103598 /nfs/dbraw/zinc/10/35/98/717103598.db2.gz UPYLKTQCLCBJQP-QMIVUERCSA-N 0 0 345.392 -0.546 1 5 EBBFRN CO[C@@H](C)[C@](O)(C(=O)OCC1=CC[N@+]2([O-])CC[C@H](O)[C@@H]12)C(C)(C)O ZINC000253798410 717168807 /nfs/dbraw/zinc/16/88/07/717168807.db2.gz UPYLKTQCLCBJQP-SYCOBUBCSA-N 0 0 345.392 -0.546 1 5 EBBFRN C[C@@H]1C(=O)O[C@@H]2CC[N@+]3([O-])CC=C(COC(=O)[C@](C)(O)[C@]1(C)O)[C@H]23 ZINC000256429208 296263609 /nfs/dbraw/zinc/26/36/09/296263609.db2.gz LHVAZUAALQTANZ-WPOLZPSNSA-N 0 0 341.360 -0.380 1 5 EBBFRN C[C@@H]1C(=O)O[C@@H]2CC[N@+]3([O-])CC=C(COC(=O)[C@](C)(O)[C@@]1(C)O)[C@H]23 ZINC000256429192 296263627 /nfs/dbraw/zinc/26/36/27/296263627.db2.gz LHVAZUAALQTANZ-AAJMITALSA-N 0 0 341.360 -0.380 1 5 EBBFRN Cc1ccc(OCC(=O)N[C@@H]2CCS(=O)(=O)C2)c([N+](=O)[O-])n1 ZINC000005992611 210573457 /nfs/dbraw/zinc/57/34/57/210573457.db2.gz YSIFTBIRLPBDHP-SECBINFHSA-N 0 0 329.334 -0.020 3 5 EBBFRN Cc1ncc([N+](=O)[O-])n1CCOC[C@H](CO[N+](=O)[O-])O[N+](=O)[O-] ZINC000049872469 214035667 /nfs/dbraw/zinc/03/56/67/214035667.db2.gz BUGJLOXCRLGTGS-MRVPVSSYSA-N 0 0 335.229 -0.098 1 5 EBBFRN Cc1ncc([N+](=O)[O-])n1CCOC[C@@H](CO[N+](=O)[O-])O[N+](=O)[O-] ZINC000049872468 214033536 /nfs/dbraw/zinc/03/35/36/214033536.db2.gz BUGJLOXCRLGTGS-QMMMGPOBSA-N 0 0 335.229 -0.098 1 5 EBBFRN C[C@@H]1C(=O)O[C@H]2CC[N+]3([O-])CC=C(COC(=O)[C@@](C)(O)[C@@]1(C)O)[C@@H]23 ZINC000014594857 211745750 /nfs/dbraw/zinc/74/57/50/211745750.db2.gz LHVAZUAALQTANZ-PXNQFJIRSA-N 0 0 341.360 -0.380 1 5 EBBFRN NS(=O)(=O)c1ccc(CNC(=O)Cn2ccnc2[N+](=O)[O-])cc1 ZINC000103290171 219284558 /nfs/dbraw/zinc/28/45/58/219284558.db2.gz LUVYZCJSINUZFF-UHFFFAOYSA-N 0 0 339.333 -0.245 1 5 EBBFRN O=C(OCCC(F)([N+](=O)[O-])[N+](=O)[O-])OCC(F)([N+](=O)[O-])[N+](=O)[O-] ZINC000073258862 216370513 /nfs/dbraw/zinc/37/05/13/216370513.db2.gz ZPHHHIDBVROPBD-UHFFFAOYSA-N 0 0 348.127 -0.117 1 5 EBBFRN C[C@H]1C(=O)O[C@H]2CC[N+]3([O-])CC=C(COC(=O)[C@@](C)(O)[C@@]1(C)O)[C@@H]23 ZINC000014594858 717110587 /nfs/dbraw/zinc/11/05/87/717110587.db2.gz LHVAZUAALQTANZ-KTLSNDGXSA-N 0 0 341.360 -0.380 1 5 EBBFRN CO[C@H](C)[C@@](O)(C(=O)OCC1=CC[N+]2([O-])CC[C@H](O)[C@@H]12)C(C)(C)O ZINC000238763125 717162552 /nfs/dbraw/zinc/16/25/52/717162552.db2.gz UPYLKTQCLCBJQP-BDGXZOKBSA-N 0 0 345.392 -0.546 1 5 EBBFRN