smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COC(=O)c1cc2ccccc2c2ccccc12 ZINC000000173356 383839265 /nfs/dbraw/zinc/83/92/65/383839265.db2.gz ZIRPXQWFLFUQQM-UHFFFAOYSA-N 0 0 236.270 3.780 40 5 BHBBRN O=[N+]([O-])/C(=C\c1cccs1)c1ccccc1 ZINC000000329424 346412198 /nfs/dbraw/zinc/41/21/98/346412198.db2.gz LLQOLKRTQOSEKL-XFXZXTDPSA-N 0 0 231.276 3.523 40 5 BHBBRN CC(=O)Nc1ccc2ccc3ccccc3c2c1 ZINC000000401839 383864216 /nfs/dbraw/zinc/86/42/16/383864216.db2.gz FSGXZFQZAIBEDS-UHFFFAOYSA-N 0 0 235.286 3.951 40 5 BHBBRN Cc1ccc(NCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000000873862 363058368 /nfs/dbraw/zinc/05/83/68/363058368.db2.gz QJLKTGPOJYVUEU-UHFFFAOYSA-N 0 0 242.278 3.515 40 5 BHBBRN O=[N+]([O-])c1cc(Cl)ccc1-c1ccccc1 ZINC000001563339 356954403 /nfs/dbraw/zinc/95/44/03/356954403.db2.gz LFOCMKLBBPUNHA-UHFFFAOYSA-N 0 0 233.654 3.915 40 5 BHBBRN O=[N+]([O-])c1ccc(/C=C/Sc2ccccc2)o1 ZINC000001565743 356954821 /nfs/dbraw/zinc/95/48/21/356954821.db2.gz PWEKHPFVGYGLLQ-CMDGGOBGSA-N 0 0 247.275 3.951 40 5 BHBBRN COc1ccc2ccc3ccccc3c2c1C=O ZINC000001569686 175225533 /nfs/dbraw/zinc/22/55/33/175225533.db2.gz RPWCISNFEHCOTK-UHFFFAOYSA-N 0 0 236.270 3.814 40 5 BHBBRN COc1ccc2ccc3oc([N+](=O)[O-])cc3c2c1 ZINC000001574601 175225331 /nfs/dbraw/zinc/22/53/31/175225331.db2.gz GUDGYQZVOAXJLS-UHFFFAOYSA-N 0 0 243.218 3.503 40 5 BHBBRN COc1cc2ccccc2c2cc([N+](=O)[O-])oc21 ZINC000001574602 175027464 /nfs/dbraw/zinc/02/74/64/175027464.db2.gz FJXJAAFKONAPKR-UHFFFAOYSA-N 0 0 243.218 3.503 40 5 in-vitro BHBBRN O=Cc1c(O)ccc2ccc3ccccc3c21 ZINC000001577015 383907162 /nfs/dbraw/zinc/90/71/62/383907162.db2.gz COINHGUECMIFMS-UHFFFAOYSA-N 0 0 222.243 3.511 40 5 BHBBRN O=[N+]([O-])c1ccccc1SNc1ccccc1 ZINC000001583415 356978541 /nfs/dbraw/zinc/97/85/41/356978541.db2.gz ZEZOCGSJUIDEIY-UHFFFAOYSA-N 0 0 246.291 3.714 40 5 BHBBRN Cc1c2cc3c(cc2oc1[N+](=O)[O-])CCCC3 ZINC000001589240 177636352 /nfs/dbraw/zinc/63/63/52/177636352.db2.gz QGUPZAVUADVRDG-UHFFFAOYSA-N 0 0 231.251 3.528 40 5 BHBBRN Cc1c([N+](=O)[O-])oc2ccc3ccccc3c12 ZINC000001589242 177636537 /nfs/dbraw/zinc/63/65/37/177636537.db2.gz CVUUOLKFENQCEZ-UHFFFAOYSA-N 0 0 227.219 3.803 40 5 BHBBRN c1cc2onc3c2c(c1)c1noc2cccc3c21 ZINC000001592482 183378753 /nfs/dbraw/zinc/37/87/53/183378753.db2.gz VRQGMACYSHACCO-UHFFFAOYSA-N 0 0 234.214 3.713 40 5 BHBBRN O=[N+]([O-])c1cc2ccc(O)cc2c2ccccc21 ZINC000001593177 342704774 /nfs/dbraw/zinc/70/47/74/342704774.db2.gz YBIPHTBHFGUBBX-UHFFFAOYSA-N 0 0 239.230 3.607 40 5 BHBBRN CC(=O)c1ccc2ccc3ccc(O)cc3c2c1 ZINC000001595037 166469893 /nfs/dbraw/zinc/46/98/93/166469893.db2.gz YOTFZLJKMIRRNJ-UHFFFAOYSA-N 0 0 236.270 3.901 40 5 BHBBRN CC(=O)c1ccc2c3ccccc3ccc2c1O ZINC000001595041 383909555 /nfs/dbraw/zinc/90/95/55/383909555.db2.gz SVTOBQKWKUYOHP-UHFFFAOYSA-N 0 0 236.270 3.901 40 5 BHBBRN CC(=O)c1ccc2ccc3ccccc3c2c1O ZINC000001595043 166469906 /nfs/dbraw/zinc/46/99/06/166469906.db2.gz MXAVAXUWUAFKAV-UHFFFAOYSA-N 0 0 236.270 3.901 40 5 BHBBRN O=[N+]([O-])c1cc(F)ccc1-c1ccc(F)cc1 ZINC000001595359 356984317 /nfs/dbraw/zinc/98/43/17/356984317.db2.gz BYZUXVJUDULKSD-UHFFFAOYSA-N 0 0 235.189 3.540 40 5 BHBBRN OCCc1cc2ccccc2c2ccccc12 ZINC000001600853 183099608 /nfs/dbraw/zinc/09/96/08/183099608.db2.gz WYNBKKNYJRUZOR-UHFFFAOYSA-N 0 0 222.287 3.528 40 5 BHBBRN O=[N+]([O-])c1ccc2cc(-c3ccccc3)cn2c1 ZINC000001607734 182943073 /nfs/dbraw/zinc/94/30/73/182943073.db2.gz MAHPGNZUNZRRFK-UHFFFAOYSA-N 0 0 238.246 3.515 40 5 BHBBRN O=[N+]([O-])c1ccc2c(c1)Cc1c-2cccc1Cl ZINC000001609895 387069393 /nfs/dbraw/zinc/06/93/93/387069393.db2.gz HNTADVKLXGHJRL-UHFFFAOYSA-N 0 0 245.665 3.819 40 5 BHBBRN O=[N+]([O-])/C=C/c1cc2c(ccc3ccccc23)[nH]1 ZINC000001610208 182917182 /nfs/dbraw/zinc/91/71/82/182917182.db2.gz WFXDYOURHAEHLJ-BQYQJAHWSA-N 0 0 238.246 3.569 40 5 BHBBRN O=[N+]([O-])/C=C/c1c[nH]c2c1ccc1ccccc21 ZINC000001610210 182917579 /nfs/dbraw/zinc/91/75/79/182917579.db2.gz LBWYZSXJXVJXRJ-BQYQJAHWSA-N 0 0 238.246 3.569 40 5 BHBBRN O=[N+]([O-])/C=C/c1cc2ccc3ccccc3c2[nH]1 ZINC000001610212 342705792 /nfs/dbraw/zinc/70/57/92/342705792.db2.gz MCLUSZHHINDIQS-BQYQJAHWSA-N 0 0 238.246 3.569 40 5 BHBBRN O=c1oc2ccc(Cl)cc2c2ccccc12 ZINC000001638387 368664918 /nfs/dbraw/zinc/66/49/18/368664918.db2.gz GJAVHARCAVPCTI-UHFFFAOYSA-N 0 0 230.650 3.600 40 5 BHBBRN O=[N+]([O-])c1cc(F)ccc1Sc1ccccc1 ZINC000001638576 357037751 /nfs/dbraw/zinc/03/77/51/357037751.db2.gz BPDDJSOPIZLNLL-UHFFFAOYSA-N 0 0 249.266 3.885 40 5 BHBBRN C[C@@H](Oc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000001643337 176004886 /nfs/dbraw/zinc/00/48/86/176004886.db2.gz JYOYYRCYSXQWLZ-LLVKDONJSA-N 0 0 243.262 3.735 40 5 BHBBRN Cn1c2nc3ccccc3c-2cc2ccccc21 ZINC000001651170 180627471 /nfs/dbraw/zinc/62/74/71/180627471.db2.gz PZIIKMBOSNKNFZ-UHFFFAOYSA-N 0 0 232.286 3.831 40 5 biogenic,in-vitro BHBBRN Cc1c(Cl)c(Cl)cc([N+](=O)[O-])c1Cl ZINC000001655685 357067492 /nfs/dbraw/zinc/06/74/92/357067492.db2.gz POAIFCPLVKWXFR-UHFFFAOYSA-N 0 0 240.473 3.863 40 5 BHBBRN O=[N+]([O-])/C(=C\c1ccco1)c1ccccc1Cl ZINC000001666150 342707522 /nfs/dbraw/zinc/70/75/22/342707522.db2.gz XQZZLJFMWIPDNG-WQLSENKSSA-N 0 0 249.653 3.708 40 5 BHBBRN O=[N+]([O-])c1ccccc1-c1ccc(Cl)cc1 ZINC000001669746 357076292 /nfs/dbraw/zinc/07/62/92/357076292.db2.gz OMNWKPZIFZJANV-UHFFFAOYSA-N 0 0 233.654 3.915 40 5 BHBBRN CC(=O)Oc1cc2ccccc2c2ccccc12 ZINC000001676778 383921327 /nfs/dbraw/zinc/92/13/27/383921327.db2.gz TZFNHAUIIAFWSB-UHFFFAOYSA-N 0 0 236.270 3.918 40 5 BHBBRN O=[N+]([O-])c1ccccc1/C=C/c1ccccc1 ZINC000001683888 342708951 /nfs/dbraw/zinc/70/89/51/342708951.db2.gz RYJATPLJVSILLB-ZHACJKMWSA-N 0 0 225.247 3.765 40 5 BHBBRN Cc1ccc(-c2ccc(C)cc2[N+](=O)[O-])cc1 ZINC000001686635 178323686 /nfs/dbraw/zinc/32/36/86/178323686.db2.gz APGSMLUEVFZMTC-UHFFFAOYSA-N 0 0 227.263 3.879 40 5 BHBBRN O=[N+]([O-])c1ccc2ccc3ccccc3c2c1 ZINC000001699702 342710015 /nfs/dbraw/zinc/71/00/15/342710015.db2.gz CPRHWWUDRYJODK-UHFFFAOYSA-N 0 0 223.231 3.901 40 5 BHBBRN CCc1cccc2[nH]c3cc([N+](=O)[O-])ccc3c21 ZINC000001700219 171866937 /nfs/dbraw/zinc/86/69/37/171866937.db2.gz BPKFPCLKVKNLEE-UHFFFAOYSA-N 0 0 240.262 3.792 40 5 BHBBRN O=C1Cc2c(c3ccccc3c3ccccc23)C1 ZINC000001709170 342710491 /nfs/dbraw/zinc/71/04/91/342710491.db2.gz AWDMMAQKTSAXCH-UHFFFAOYSA-N 0 0 232.282 3.661 40 5 BHBBRN CC(=O)Nc1c2ccccc2cc2ccccc21 ZINC000001714568 187926129 /nfs/dbraw/zinc/92/61/29/187926129.db2.gz MEQRPJCEQSUUTG-UHFFFAOYSA-N 0 0 235.286 3.951 40 5 BHBBRN C[N+]([O-])(C/C=C/c1ccccc1)c1ccccc1 ZINC000001716616 383928858 /nfs/dbraw/zinc/92/88/58/383928858.db2.gz FSRZVCJNCFLKLB-DHZHZOJOSA-N 0 0 239.318 3.835 40 5 BHBBRN CSc1cc(-c2ccccc2)ccc1[N+](=O)[O-] ZINC000001722544 175571839 /nfs/dbraw/zinc/57/18/39/175571839.db2.gz DBNHPPQEJPVKKL-UHFFFAOYSA-N 0 0 245.303 3.984 40 5 BHBBRN O=[N+]([O-])c1cccc(-c2ccccc2Cl)c1 ZINC000001722738 357180774 /nfs/dbraw/zinc/18/07/74/357180774.db2.gz QACKSPAVQOIZIA-UHFFFAOYSA-N 0 0 233.654 3.915 40 5 BHBBRN O=c1oc2c(o1)c1ccccc1c1ccccc21 ZINC000001725015 188274427 /nfs/dbraw/zinc/27/44/27/188274427.db2.gz GQCXDBYQHKETOZ-UHFFFAOYSA-N 0 0 236.226 3.692 40 5 BHBBRN c1ccc2c(c1)[nH]c1cc3ccncc3cc12 ZINC000001726592 183455212 /nfs/dbraw/zinc/45/52/12/183455212.db2.gz KSEHRXUCGLUTMA-UHFFFAOYSA-N 0 0 218.259 3.869 40 5 BHBBRN Cn1c2ccccc2c2cc3cnccc3cc21 ZINC000001727284 180626978 /nfs/dbraw/zinc/62/69/78/180626978.db2.gz ADIOWGGXXWASIJ-UHFFFAOYSA-N 0 0 232.286 3.880 40 5 BHBBRN c1ccc2c(c1)sc1nc3ccccc3nc21 ZINC000001870211 183459966 /nfs/dbraw/zinc/45/99/66/183459966.db2.gz YJJGTGWWLRKTAI-UHFFFAOYSA-N 0 0 236.299 3.998 40 5 BHBBRN COC(=O)c1cccc2ccc3ccccc3c21 ZINC000001871906 173898147 /nfs/dbraw/zinc/89/81/47/173898147.db2.gz YFZHEMZULMTHPM-UHFFFAOYSA-N 0 0 236.270 3.780 40 5 BHBBRN COC(=O)c1cccc2c3ccccc3ccc12 ZINC000001871909 383938425 /nfs/dbraw/zinc/93/84/25/383938425.db2.gz WCKSMVOOLJCPKJ-UHFFFAOYSA-N 0 0 236.270 3.780 40 5 BHBBRN Cc1nc2ccccc2c2ccc([N+](=O)[O-])cc12 ZINC000001873170 180101616 /nfs/dbraw/zinc/10/16/16/180101616.db2.gz PMAMGXAJKCCOQC-UHFFFAOYSA-N 0 0 238.246 3.605 40 5 BHBBRN Cc1ccccc1NCc1ccccc1[N+](=O)[O-] ZINC000001873316 179306288 /nfs/dbraw/zinc/30/62/88/179306288.db2.gz RBSHIUSTXRNIDJ-UHFFFAOYSA-N 0 0 242.278 3.515 40 5 BHBBRN Cc1ccc(-c2ccc([N+](=O)[O-])s2)cc1 ZINC000002385700 178325345 /nfs/dbraw/zinc/32/53/45/178325345.db2.gz OUXZNPAGKRIXKX-UHFFFAOYSA-N 0 0 219.265 3.632 40 5 BHBBRN O=[N+]([O-])c1ccc(-c2ccc(Cl)cc2)s1 ZINC000002385703 370369082 /nfs/dbraw/zinc/36/90/82/370369082.db2.gz AFVDKDPHRHQBBM-UHFFFAOYSA-N 0 0 239.683 3.977 40 5 BHBBRN Cc1ccc([N+](=O)[O-])cc1-c1ccccc1 ZINC000002391835 178931658 /nfs/dbraw/zinc/93/16/58/178931658.db2.gz URKOXRGLMICDRL-UHFFFAOYSA-N 0 0 213.236 3.570 40 5 BHBBRN Nc1cc(N)c2ccc3cccc4ccc1c2c43 ZINC000002512218 342721843 /nfs/dbraw/zinc/72/18/43/342721843.db2.gz WOFKFNZIJZWWPZ-UHFFFAOYSA-N 0 0 232.286 3.748 40 5 BHBBRN Nc1ccc2ccc3c(N)ccc4ccc1c2c43 ZINC000002512231 342721845 /nfs/dbraw/zinc/72/18/45/342721845.db2.gz OWJJRQSAIMYXQJ-UHFFFAOYSA-N 0 0 232.286 3.748 40 5 BHBBRN Nc1ccc2ccc3ccc(N)c4ccc1c2c34 ZINC000002512234 342721819 /nfs/dbraw/zinc/72/18/19/342721819.db2.gz BLYOXQBERINFDU-UHFFFAOYSA-N 0 0 232.286 3.748 40 5 BHBBRN O=[N+]([O-])/C=C/c1ccc(-c2ccccc2)cc1 ZINC000002519298 346509894 /nfs/dbraw/zinc/50/98/94/346509894.db2.gz PNCOIHRUXGOUFA-ZHACJKMWSA-N 0 0 225.247 3.601 40 5 BHBBRN Cc1cc(Cl)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000002540193 178060758 /nfs/dbraw/zinc/06/07/58/178060758.db2.gz LIPQGRMXUIBTTR-UHFFFAOYSA-N 0 0 239.580 3.575 40 5 BHBBRN O=[N+]([O-])c1c(Cl)ccc(Cl)c1Cl ZINC000002565578 371591436 /nfs/dbraw/zinc/59/14/36/371591436.db2.gz UDEAXERKYRDHTE-UHFFFAOYSA-N 0 0 226.446 3.555 40 5 BHBBRN Cc1ccc2nc3[nH]c4ccccc4c3nc2c1 ZINC000004359474 342747245 /nfs/dbraw/zinc/74/72/45/342747245.db2.gz UNLJOTBLZKFKCF-UHFFFAOYSA-N 0 0 233.274 3.573 40 5 BHBBRN Cc1ccc(Cl)c2c(=O)c3ccccc3[nH]c12 ZINC000004430351 342747927 /nfs/dbraw/zinc/74/79/27/342747927.db2.gz MRLAWRKEWAVSHP-UHFFFAOYSA-N 0 0 243.693 3.643 40 5 BHBBRN O=c1c2ccccc2oc2ccc(Cl)cc21 ZINC000004713695 182988627 /nfs/dbraw/zinc/98/86/27/182988627.db2.gz PRWJZNITVOUZBU-UHFFFAOYSA-N 0 0 230.650 3.600 40 5 BHBBRN O=[N+]([O-])c1ccccc1/C=C\c1ccccc1 ZINC000004721750 343975005 /nfs/dbraw/zinc/97/50/05/343975005.db2.gz RYJATPLJVSILLB-KHPPLWFESA-N 0 0 225.247 3.765 40 5 BHBBRN O=[N+]([O-])/C(=C/c1cccs1)c1ccccc1 ZINC000004783051 182917193 /nfs/dbraw/zinc/91/71/93/182917193.db2.gz LLQOLKRTQOSEKL-FMIVXFBMSA-N 0 0 231.276 3.523 40 5 BHBBRN Cc1ccc(Nc2ccc(C)cc2[N+](=O)[O-])cc1 ZINC000004822701 344409482 /nfs/dbraw/zinc/40/94/82/344409482.db2.gz UVEHOXUNZYGMFE-UHFFFAOYSA-N 0 0 242.278 3.955 40 5 BHBBRN Cc1ccc(C)c(Nc2ccccc2[N+](=O)[O-])c1 ZINC000004824120 178485691 /nfs/dbraw/zinc/48/56/91/178485691.db2.gz FELBWBPHUOXHEE-UHFFFAOYSA-N 0 0 242.278 3.955 40 5 BHBBRN OCCc1cccc2ccc3ccccc3c21 ZINC000004974347 183100464 /nfs/dbraw/zinc/10/04/64/183100464.db2.gz RFAVOBZDPQHPGU-UHFFFAOYSA-N 0 0 222.287 3.528 40 5 BHBBRN CC/C(=C\c1ccc2ccccc2c1)[N+](=O)[O-] ZINC000005047650 384098869 /nfs/dbraw/zinc/09/88/69/384098869.db2.gz SCIDNUHADKKJGF-GXDHUFHOSA-N 0 0 227.263 3.867 40 5 BHBBRN O=[N+]([O-])c1ccc(/C=C\c2ccccc2)cc1 ZINC000005053079 182927332 /nfs/dbraw/zinc/92/73/32/182927332.db2.gz ZISCOWXWCHUSMH-SREVYHEPSA-N 0 0 225.247 3.765 40 5 BHBBRN C[N+]([O-])(C/C=C\c1ccccc1)c1ccccc1 ZINC000005082755 177488364 /nfs/dbraw/zinc/48/83/64/177488364.db2.gz FSRZVCJNCFLKLB-FLIBITNWSA-N 0 0 239.318 3.835 40 5 BHBBRN O=[N+]([O-])c1cccc(/C=C\c2ccccc2)c1 ZINC000005085134 182943414 /nfs/dbraw/zinc/94/34/14/182943414.db2.gz NJYCKJGNJMIWCQ-KTKRTIGZSA-N 0 0 225.247 3.765 40 5 BHBBRN Nc1cc2oc3ccccc3c2c2cccnc12 ZINC000005160147 342759217 /nfs/dbraw/zinc/75/92/17/342759217.db2.gz SWSGUCJJHUGGHC-UHFFFAOYSA-N 0 0 234.258 3.716 40 5 BHBBRN Cc1ccc2sc3ccccc3c(=O)c2c1 ZINC000005437641 346618048 /nfs/dbraw/zinc/61/80/48/346618048.db2.gz MYISVPVWAQRUTL-UHFFFAOYSA-N 0 0 226.300 3.723 40 5 BHBBRN CC/C(=C/c1ccc(C(C)C)cc1)[N+](=O)[O-] ZINC000005459050 385030720 /nfs/dbraw/zinc/03/07/20/385030720.db2.gz MGDJODBXMTWKNC-LCYFTJDESA-N 0 0 219.284 3.838 40 5 BHBBRN CC/C(=C/c1ccc2ccccc2c1)[N+](=O)[O-] ZINC000005459064 167818008 /nfs/dbraw/zinc/81/80/08/167818008.db2.gz SCIDNUHADKKJGF-UVTDQMKNSA-N 0 0 227.263 3.867 40 5 BHBBRN Clc1ccc2c(c1)[nH]c1c2nc2ccccn21 ZINC000005647499 342767930 /nfs/dbraw/zinc/76/79/30/342767930.db2.gz LBQQWJXSQDNNEA-UHFFFAOYSA-N 0 0 241.681 3.622 40 5 BHBBRN Cc1c(Cl)ccc2nc3ccccc3nc12 ZINC000005701008 342768410 /nfs/dbraw/zinc/76/84/10/342768410.db2.gz KYFRFIWISZZUBW-UHFFFAOYSA-N 0 0 228.682 3.745 40 5 BHBBRN O=[N+]([O-])c1ccc2c(c1)Sc1ccccc1N2 ZINC000005742339 182941442 /nfs/dbraw/zinc/94/14/42/182941442.db2.gz CLXYGCPNHLXLPD-UHFFFAOYSA-N 0 0 244.275 3.803 40 5 BHBBRN C[C@H](Oc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000005763385 177023041 /nfs/dbraw/zinc/02/30/41/177023041.db2.gz JYOYYRCYSXQWLZ-NSHDSACASA-N 0 0 243.262 3.735 40 5 BHBBRN N=c1c2ccccc2cc2c3ccccc3ccn21 ZINC000005766094 181208405 /nfs/dbraw/zinc/20/84/05/181208405.db2.gz MJVIRTFFZAHUSX-UHFFFAOYSA-N 0 0 244.297 3.725 40 5 BHBBRN O=[N+]([O-])c1cccc(CSc2ccccc2)c1 ZINC000005901475 487521676 /nfs/dbraw/zinc/52/16/76/487521676.db2.gz SDWCLHPHKOEENL-UHFFFAOYSA-N 0 0 245.303 3.887 40 5 BHBBRN Cc1ccc(SCc2ccc([N+](=O)[O-])o2)cc1 ZINC000006814809 188103274 /nfs/dbraw/zinc/10/32/74/188103274.db2.gz QHEJINWLUOFRDU-UHFFFAOYSA-N 0 0 249.291 3.789 40 5 BHBBRN C/C(=C\c1ccc(Cl)c(Cl)c1)[N+](=O)[O-] ZINC000008602770 188337167 /nfs/dbraw/zinc/33/71/67/188337167.db2.gz QLVJMAOJVUYXBE-GQCTYLIASA-N 0 0 232.066 3.631 40 5 BHBBRN O=c1[nH]c2ccccc2c2cc3ccccc3cc12 ZINC000008649763 342801507 /nfs/dbraw/zinc/80/15/07/342801507.db2.gz WOCXMRDFWDJJLR-UHFFFAOYSA-N 0 0 245.281 3.835 40 5 BHBBRN O=c1[nH]c2cc3ccccc3cc2c2ccccc12 ZINC000008649770 342801535 /nfs/dbraw/zinc/80/15/35/342801535.db2.gz PXBRUWHQRRSPTK-UHFFFAOYSA-N 0 0 245.281 3.835 40 5 BHBBRN Cc1ccccc1NCc1ccc([N+](=O)[O-])cc1 ZINC000008701742 179306053 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