smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=c1c2cc([N+](=O)[O-])cnc2sn1-c1ccc(Oc2ccccc2)cc1 ZINC000001654019 204016445 /nfs/dbraw/zinc/01/64/45/204016445.db2.gz TZRHOHNOIZWCNF-UHFFFAOYSA-N 0 0 365.370 4.148 1 5 FIBFRN CC(C)(NC(=O)c1cc2[nH]c3ccccc3c(=O)c2cc1F)c1ccccc1 ZINC000014970312 204593810 /nfs/dbraw/zinc/59/38/10/204593810.db2.gz MOUJVNGXLZSTGQ-UHFFFAOYSA-N 0 0 374.415 4.486 1 5 FIBFRN O=c1c2ccc3ccccc3c2oc2cc(OC[C@@H]3CS3)cc(O)c21 ZINC000045372003 205122066 /nfs/dbraw/zinc/12/20/66/205122066.db2.gz GYLJDSBPCVENET-CYBMUJFWSA-N 0 0 350.395 4.299 1 5 FIBFRN CCCn1cc2c(=O)c(OC)ccc-2c2ccc3cc4c(cc3c21)OCO4 ZINC000101252335 205955172 /nfs/dbraw/zinc/95/51/72/205955172.db2.gz SUSGWCYYCYHXFF-UHFFFAOYSA-O 0 0 362.405 4.287 1 5 FIBFRN CC(=O)Oc1c2sccc2c(O)c2c(=O)c3cc(Cl)ccc3oc12 ZINC000005831580 204226992 /nfs/dbraw/zinc/22/69/92/204226992.db2.gz BZLVRSJMEKBCTK-UHFFFAOYSA-N 0 0 360.774 4.445 1 5 FIBFRN Cc1nc2ccc3cnc(N(C)c4cccc([N+](=O)[O-])c4)nc3c2s1 ZINC000034434225 204976993 /nfs/dbraw/zinc/97/69/93/204976993.db2.gz BUBBOLABRKMKTQ-UHFFFAOYSA-N 0 0 351.391 4.224 1 5 FIBFRN CCCCNc1c2ccccc2n(C)c2nc(-c3ccccc3)nc(=O)c1-2 ZINC000040938991 205085244 /nfs/dbraw/zinc/08/52/44/205085244.db2.gz WUQAUKHUJJAMRF-UHFFFAOYSA-N 0 0 358.445 4.312 1 5 FIBFRN O=c1c2cc3ccccc3cc2oc2cc(OC[C@H]3CS3)cc(O)c21 ZINC000045373227 205120880 /nfs/dbraw/zinc/12/08/80/205120880.db2.gz GOGKSYQNMRWPNQ-AWEZNQCLSA-N 0 0 350.395 4.299 1 5 FIBFRN O=C(Nc1ccc(-c2ccnc3[nH]cnc32)cc1)Nc1cccc([N+](=O)[O-])c1 ZINC000073257617 205568822 /nfs/dbraw/zinc/56/88/22/205568822.db2.gz WOLVVZYIMHOLRF-UHFFFAOYSA-N 0 0 374.360 4.177 1 5 FIBFRN COc1ccc([N+](=O)[O-])cc1NCn1nc(-c2ccc(C)cc2)oc1=S ZINC000103228950 205987746 /nfs/dbraw/zinc/98/77/46/205987746.db2.gz BSKQECJLLAAXFE-UHFFFAOYSA-N 0 0 372.406 4.167 1 5 FIBFRN Cc1ncc([N+](=O)[O-])n1CCO[C@H](c1ccccc1)c1ccc(F)cc1 ZINC000005893111 204229132 /nfs/dbraw/zinc/22/91/32/204229132.db2.gz RSDZJEMJVDJEEA-LJQANCHMSA-N 0 0 355.369 4.045 1 5 FIBFRN COc1ccc(/C=C(/F)c2cc(OC)c(OC)c(OC)c2)cc1[N+](=O)[O-] ZINC000006733328 204264875 /nfs/dbraw/zinc/26/48/75/204264875.db2.gz KIXSZXOSDLWBNF-NTUHNPAUSA-N 0 0 363.341 4.097 1 5 FIBFRN O=C(c1cccc(-c2ccccc2[N+](=O)[O-])n1)N1CCC[C@@H]2CCCC[C@@H]21 ZINC000029049482 204894217 /nfs/dbraw/zinc/89/42/17/204894217.db2.gz WCPNKJFFGJBDGL-KXBFYZLASA-N 0 0 365.433 4.452 1 5 FIBFRN O=c1c2c(O)cc(OC[C@@H]3CS3)cc2oc2ccc3ccccc3c21 ZINC000045368986 205121569 /nfs/dbraw/zinc/12/15/69/205121569.db2.gz YETNTCNTUVTKSU-CYBMUJFWSA-N 0 0 350.395 4.299 1 5 FIBFRN C[N+](C)(CCCCCCCCc1ccccc1)CCCCS(=O)(=O)[O-] ZINC000026576173 717113920 /nfs/dbraw/zinc/11/39/20/717113920.db2.gz QMLRWOFQXSIXIW-UHFFFAOYSA-O 0 0 370.579 4.314 1 5 in-vivo FIBFRN CC(C)SC[C@@](C)(O)c1cc2cc([N+](=O)[O-])c(C(F)(F)F)cc2[nH]1 ZINC000028820553 204889857 /nfs/dbraw/zinc/88/98/57/204889857.db2.gz HFQJOWOWKGJJBJ-CQSZACIVSA-N 0 0 362.373 4.444 1 5 FIBFRN COc1ccc(C(=O)n2c3ccccc3nc2-c2ccccc2[N+](=O)[O-])cc1 ZINC000040848995 205083534 /nfs/dbraw/zinc/08/35/34/205083534.db2.gz PDMWBGZFIGNBGL-UHFFFAOYSA-N 0 0 373.368 4.309 1 5 FIBFRN CCOC(=O)c1cc(-c2cccc(OCc3cccc([N+](=O)[O-])c3)c2)on1 ZINC000045259347 205119306 /nfs/dbraw/zinc/11/93/06/205119306.db2.gz CIGVIOGCXIBVPS-UHFFFAOYSA-N 0 0 368.345 4.006 1 5 FIBFRN O=c1c2ccc3ccccc3c2oc2cc(OC[C@H]3CS3)cc(O)c21 ZINC000045372007 205122117 /nfs/dbraw/zinc/12/21/17/205122117.db2.gz GYLJDSBPCVENET-ZDUSSCGKSA-N 0 0 350.395 4.299 1 5 FIBFRN Cc1ccc(-c2csc(-c3ccc(S(C)(=O)=O)c([N+](=O)[O-])c3)n2)cc1 ZINC000064502320 205299133 /nfs/dbraw/zinc/29/91/33/205299133.db2.gz LJRGTXHAUOWMBA-UHFFFAOYSA-N 0 0 374.443 4.097 1 5 FIBFRN NC(=[NH2+])c1ccc2[nH]c(-c3cc([N+](=O)[O-])cc(-c4ccccc4)c3[O-])cc2c1 ZINC000013863705 581097213 /nfs/dbraw/zinc/09/72/13/581097213.db2.gz VGQFBYXDHFTAHX-UHFFFAOYSA-N 0 0 372.384 4.400 1 5 FIBFRN COc1cc(C)nc2ccc(NC(=O)Nc3ccccc3[N+](=O)[O-])cc21 ZINC000045192071 205117437 /nfs/dbraw/zinc/11/74/37/205117437.db2.gz PQZKLCFLSWMWAW-UHFFFAOYSA-N 0 0 352.350 4.104 1 5 FIBFRN Cc1ccc(Cl)cc1N1C(=O)N[C@@H]2C[C@@]1(C)Oc1ccc([N+](=O)[O-])cc12 ZINC000002498683 132383521 /nfs/dbraw/zinc/38/35/21/132383521.db2.gz UHGLJKRBYOWEJL-RDTXWAMCSA-N 0 0 373.796 4.326 1 5 FIBFRN COC(=O)/C=C(/C(=O)OC)c1cc2ccc3c4ccccc4[nH]c3c(C)c-2c1 ZINC000006019525 204235133 /nfs/dbraw/zinc/23/51/33/204235133.db2.gz LNVNVXHHXKQRJY-XDHOZWIPSA-N 0 0 373.408 4.464 1 5 FIBFRN Cc1ncc([N+](=O)[O-])n1CCO[C@@H](c1ccccc1)c1cccc(F)c1 ZINC000013473024 204530956 /nfs/dbraw/zinc/53/09/56/204530956.db2.gz DVHCHOPACQEAAQ-IBGZPJMESA-N 0 0 355.369 4.045 1 5 FIBFRN CCOP(=O)(Oc1ccc([N+](=O)[O-])cc1)Oc1ccc([N+](=O)[O-])cc1 ZINC000002040209 204024802 /nfs/dbraw/zinc/02/48/02/204024802.db2.gz KJZNHLRQOUWNFF-UHFFFAOYSA-N 0 0 368.238 4.105 1 5 FIBFRN COc1ccc([C@H]2NC(=O)Nc3c4ccc5ccccc5c4oc(=O)c32)cc1 ZINC000006041177 204234584 /nfs/dbraw/zinc/23/45/84/204234584.db2.gz RMVBTEVXOKLDCL-GOSISDBHSA-N 0 0 372.380 4.179 1 5 FIBFRN CS(=O)(=O)c1ccc(-c2cc([N+](=O)[O-])ccc2-c2ccccc2)cc1 ZINC000028005670 204873182 /nfs/dbraw/zinc/87/31/82/204873182.db2.gz SZLXODFNYJHGLI-UHFFFAOYSA-N 0 0 353.399 4.332 1 5 FIBFRN COc1cc(OC)c2c(c1)n(CCC(C)C)c1cc(Cl)c(N)cc1c2=O ZINC000040949659 205085042 /nfs/dbraw/zinc/08/50/42/205085042.db2.gz GBKYEGJDBPRTMJ-UHFFFAOYSA-N 0 0 374.868 4.454 1 5 FIBFRN O=c1c2c(O)cc(OC[C@H]3CS3)cc2oc2ccc3ccccc3c21 ZINC000045368992 205121258 /nfs/dbraw/zinc/12/12/58/205121258.db2.gz YETNTCNTUVTKSU-ZDUSSCGKSA-N 0 0 350.395 4.299 1 5 FIBFRN Cc1cccc(C)c1NC(=O)[C@@H](c1ccc([N+](=O)[O-])cc1)N1CCCCC1 ZINC000061852916 205288507 /nfs/dbraw/zinc/28/85/07/205288507.db2.gz JHUKETOFMVFIPC-HXUWFJFHSA-N 0 0 367.449 4.377 3 5 FIBFRN COc1c2occc2c(CNc2ccc([N+](=O)[O-])cc2)c2ccc(=O)oc21 ZINC000064559190 205299884 /nfs/dbraw/zinc/29/98/84/205299884.db2.gz MZCWOOKJUHFYKF-UHFFFAOYSA-N 0 0 366.329 4.068 1 5 FIBFRN CC(=O)N1N=C(c2cccc3ccccc32)C[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000066078843 205363276 /nfs/dbraw/zinc/36/32/76/205363276.db2.gz NRHWHYDIWIYRPQ-OAQYLSRUSA-N 0 0 359.385 4.446 1 5 FIBFRN O=C(Nc1ccc(Oc2ccc(O)cc2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000096285800 205870633 /nfs/dbraw/zinc/87/06/33/205870633.db2.gz GFPXQEOITTUGKG-UHFFFAOYSA-N 0 0 350.330 4.345 1 5 FIBFRN Cc1c(Cl)cccc1N1C(=O)N[C@@H]2C[C@@]1(C)Oc1ccc([N+](=O)[O-])cc12 ZINC000002498664 132383585 /nfs/dbraw/zinc/38/35/85/132383585.db2.gz VPLIKOGYHZELOC-RDTXWAMCSA-N 0 0 373.796 4.326 1 5 FIBFRN Cc1ccc(-c2nc(N)c3nc4c(Cl)ccc(Cl)c4nc3n2)cc1 ZINC000096915914 209162168 /nfs/dbraw/zinc/16/21/68/209162168.db2.gz LFAZORORQSVMQA-UHFFFAOYSA-N 0 0 356.216 4.437 1 5 FIBFRN O=c1[nH]ccc2c(Nc3c(F)cccc3C(F)(F)F)nc3ccncc3c12 ZINC000103239759 209249051 /nfs/dbraw/zinc/24/90/51/209249051.db2.gz ZKARUZSOFAZGMB-UHFFFAOYSA-N 0 0 374.297 4.373 1 5 FIBFRN O=C1c2cccc3cc4ccccc4c(c32)C(=O)N1CCc1ccccn1 ZINC000027859187 207943345 /nfs/dbraw/zinc/94/33/45/207943345.db2.gz HJFSVFWGNKOKKM-UHFFFAOYSA-N 0 0 352.393 4.227 1 5 FIBFRN O=c1c2ccccc2oc2cc(-c3ccc(CN4CCOCC4)cc3)ccc21 ZINC000036388929 208162445 /nfs/dbraw/zinc/16/24/45/208162445.db2.gz HFIVLYFJBBOIES-UHFFFAOYSA-N 0 0 371.436 4.445 3 5 FIBFRN O=[N+]([O-])c1c(Cl)c(Cl)[nH]c1[C@H](O)c1cc(Cl)cc(Cl)c1O ZINC000014684496 560224371 /nfs/dbraw/zinc/22/43/71/560224371.db2.gz WKEODUMIDZIAED-SNVBAGLBSA-N 0 0 371.991 4.324 1 5 in-vitro FIBFRN COc1cc2oc3c(cc4c(c3OC)OC(C)(C)CC4)c(=O)c2cc1OC ZINC000096928330 209163270 /nfs/dbraw/zinc/16/32/70/209163270.db2.gz FQXFMMJTYNWIBJ-UHFFFAOYSA-N 0 0 370.401 4.076 1 5 FIBFRN COc1ccc([C@@H]2NC(=O)Nc3c4ccc5ccccc5c4oc(=O)c32)cc1 ZINC000001661697 206892379 /nfs/dbraw/zinc/89/23/79/206892379.db2.gz RMVBTEVXOKLDCL-SFHVURJKSA-N 0 0 372.380 4.179 1 5 FIBFRN CN(C)C(=O)[C@@H]1C[C@H](c2ccc3ccc4cccc5ccc2c3c45)N(C)O1 ZINC000084614850 208959086 /nfs/dbraw/zinc/95/90/86/208959086.db2.gz REAYYLBRUHSYFJ-UXHICEINSA-N 0 0 358.441 4.349 1 5 FIBFRN CCN(CC)c1cc2nc(-c3ccccc3)nn3c4ccccc4c(c23)c1=O ZINC000095576647 209082635 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CC(C)(C)[C@H]1CCN2CCC[C@@](c3ccc([N+](=O)[O-])cc3)(C1)C21OCCO1 ZINC000095600792 209085072 /nfs/dbraw/zinc/08/50/72/209085072.db2.gz FJZNBMNHPKNAKF-PXNSSMCTSA-N 0 0 374.481 4.085 3 5 FIBFRN O=C1N=NC2=CC(c3ccc(F)cc3)C[C@@H](c3cccc([N+](=O)[O-])c3)C12 ZINC000103182854 209246487 /nfs/dbraw/zinc/24/64/87/209246487.db2.gz IJNFVVCHJFYBRB-INIZCTEOSA-N 0 0 351.337 4.239 1 5 FIBFRN CCSC[C@](C)(O)Cc1cc2cc([N+](=O)[O-])c(C(F)(F)F)cc2[nH]1 ZINC000028820604 207975332 /nfs/dbraw/zinc/97/53/32/207975332.db2.gz BMYZIPZJZVGBFV-CQSZACIVSA-N 0 0 362.373 4.142 1 5 FIBFRN CC(=O)N1N=C(c2cccc3ccccc32)C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000066079800 208694069 /nfs/dbraw/zinc/69/40/69/208694069.db2.gz QBJXOSCKKQTWCB-OAQYLSRUSA-N 0 0 359.385 4.446 1 5 FIBFRN O=[N+]([O-])c1ccc([C@H]2CC(c3ccc4[nH]c5c(c4c3)CCCC5)=NN2)cc1 ZINC000072113291 208800054 /nfs/dbraw/zinc/80/00/54/208800054.db2.gz KJNGJOQTPUZDBL-HXUWFJFHSA-N 0 0 360.417 4.394 1 5 FIBFRN CC(C)(C)[C@@H]1CCN2CCC[C@@](c3ccc([N+](=O)[O-])cc3)(C1)C21OCCO1 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0 0 359.385 4.424 1 5 FIBFRN COc1ccc(Cn2c3c(nc4ccc(C)cn43)c3ccccc3c2=O)cc1 ZINC000103232299 209249162 /nfs/dbraw/zinc/24/91/62/209249162.db2.gz PSWNLKCTQIWVMJ-UHFFFAOYSA-N 0 0 369.424 4.168 1 5 FIBFRN COc1cc2oc3c(cc4c(c3OC)CCC(C)(C)O4)c(=O)c2cc1OC ZINC000096928336 209162693 /nfs/dbraw/zinc/16/26/93/209162693.db2.gz CWIJMPDVKSQPFW-UHFFFAOYSA-N 0 0 370.401 4.076 1 5 FIBFRN O=C(c1ccc([N+](=O)[O-])cc1)N(c1ccccc1)C1=NCCCCS1 ZINC000000974685 206850048 /nfs/dbraw/zinc/85/00/48/206850048.db2.gz KGRWKVWEOQGIKG-UHFFFAOYSA-N 0 0 355.419 4.125 3 5 FIBFRN Cn1c(=O)c2c3c4ccc(F)cc4[nH]c3c3oc4ccccc4oc3c2c1=O ZINC000036399508 208163437 /nfs/dbraw/zinc/16/34/37/208163437.db2.gz DEULHOMVRJFYFE-UHFFFAOYSA-N 0 0 374.327 4.165 1 5 FIBFRN Cc1nc(Nc2ccccc2C)c([N+](=O)[O-])n1CC(=O)c1ccccc1 ZINC000040917738 208274242 /nfs/dbraw/zinc/27/42/42/208274242.db2.gz MEPNACOQVCIDSZ-UHFFFAOYSA-N 0 0 350.378 4.035 1 5 FIBFRN CC(=O)c1c(O)c2c([N+](=O)[O-])ccc(Cl)c2nc1Nc1cccc(C)c1 ZINC000040896486 208274583 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Cc1cc2ccn(C)c2c2c3c(c4c5ccccc5[nH]c4c12)C(=O)NC3=O ZINC000013535017 220072826 /nfs/dbraw/zinc/07/28/26/220072826.db2.gz FZGRMGZDGHBBEJ-UHFFFAOYSA-N 0 0 353.381 4.158 1 5 FIBFRN COC(=O)[C@@H](c1ccc2c(c1)OCO2)c1c2ccccc2nc2ccccc21 ZINC000013906495 220099118 /nfs/dbraw/zinc/09/91/18/220099118.db2.gz OOTHGTPTLCSOEZ-NRFANRHFSA-N 0 0 371.392 4.422 1 5 FIBFRN COc1ccc(/C(F)=C/c2cc(OC)c(OC)c(OC)c2)cc1[N+](=O)[O-] ZINC000040875405 220924053 /nfs/dbraw/zinc/92/40/53/220924053.db2.gz AZOCTXWMCZGHIJ-QPEQYQDCSA-N 0 0 363.341 4.097 1 5 FIBFRN Cn1c2ccccc2c(=O)c2ccc(NCc3ccc4c(c3)OCO4)cc21 ZINC000061969078 221137988 /nfs/dbraw/zinc/13/79/88/221137988.db2.gz CATZKDLABFOHBJ-UHFFFAOYSA-N 0 0 358.397 4.033 3 5 FIBFRN O=[N+]([O-])c1ccc2nc(-c3cccc(O)c3)c(-c3cccc(O)c3)nc2c1 ZINC000071294906 221340421 /nfs/dbraw/zinc/34/04/21/221340421.db2.gz MXYFADDMLBSGIB-UHFFFAOYSA-N 0 0 359.341 4.283 1 5 FIBFRN O=C(Nc1ccc(Oc2ccc(O)cc2)cc1)c1ccccc1[N+](=O)[O-] ZINC000096285801 222110703 /nfs/dbraw/zinc/11/07/03/222110703.db2.gz GJOPJCPFQFYWPG-UHFFFAOYSA-N 0 0 350.330 4.345 1 5 FIBFRN COc1ccc2c3ccc4cc5c(cc4c3n(C)c(C3CC3)c-2c1=O)OCO5 ZINC000100828508 222254551 /nfs/dbraw/zinc/25/45/51/222254551.db2.gz SMFQHLVTWUIQHP-UHFFFAOYSA-O 0 0 374.416 4.291 1 5 FIBFRN O=c1c2ccc3ccccc3c2oc(=S)n1-c1ccc([N+](=O)[O-])cc1 ZINC000169323642 222561702 /nfs/dbraw/zinc/56/17/02/222561702.db2.gz XJJLHHLRRJGLFW-UHFFFAOYSA-N 0 0 350.355 4.375 1 5 FIBFRN COc1cccc2c1ccc1c(CC[N+](C)(C)[O-])cc(OC)c(OC)c12 ZINC000015216308 717111298 /nfs/dbraw/zinc/11/12/98/717111298.db2.gz VQHJGXLRCBBBTQ-UHFFFAOYSA-N 0 0 355.434 4.136 1 5 FIBFRN Cc1cc(C)n(C(=O)n2c3[nH]c4ccc(C)cc4c3c3ccccc3c2=O)n1 ZINC000098081998 222227081 /nfs/dbraw/zinc/22/70/81/222227081.db2.gz MPHOEFFBQPLYMP-UHFFFAOYSA-N 0 0 370.412 4.274 1 5 FIBFRN COc1ccc(Cn2c3c(nc4cccc(C)n43)c3ccccc3c2=O)cc1 ZINC000103232301 222325811 /nfs/dbraw/zinc/32/58/11/222325811.db2.gz PCLCONSEVVKTDI-UHFFFAOYSA-N 0 0 369.424 4.168 1 5 FIBFRN O=c1[nH]ccc2c(Nc3c(F)cc(F)cc3Cl)nc3ccncc3c12 ZINC000103239782 222327791 /nfs/dbraw/zinc/32/77/91/222327791.db2.gz LCXFJNAPNKZSFF-UHFFFAOYSA-N 0 0 358.735 4.147 1 5 FIBFRN Cc1ncc([N+](=O)[O-])n1CCO[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000005893087 219704201 /nfs/dbraw/zinc/70/42/01/219704201.db2.gz RSDZJEMJVDJEEA-IBGZPJMESA-N 0 0 355.369 4.045 1 5 FIBFRN O=C(Nc1cccc([N+](=O)[O-])c1)Nc1ncccc1OCc1ccccc1 ZINC000013680207 220084939 /nfs/dbraw/zinc/08/49/39/220084939.db2.gz OONPNCJWYSAVGC-UHFFFAOYSA-N 0 0 364.361 4.213 1 5 FIBFRN CO[C@@H]1NC(=O)c2c3c4ccc(O)cc4[nH]c3c3[nH]c4ccccc4c3c21 ZINC000064526983 221148097 /nfs/dbraw/zinc/14/80/97/221148097.db2.gz ATBXPCOFDWGOCJ-NRFANRHFSA-N 0 0 357.369 4.050 1 5 FIBFRN O=[N+]([O-])c1cc(C(F)(F)F)ccc1O[C@H]1CCCC[C@@H]1n1ccnc1 ZINC000066073845 221239301 /nfs/dbraw/zinc/23/93/01/221239301.db2.gz XAJJUOJMPIDNBX-JSGCOSHPSA-N 0 0 355.316 4.373 1 5 FIBFRN O=[N+]([O-])c1ccc([C@@H]2CC(c3ccc4[nH]c5c(c4c3)CCCC5)=NN2)cc1 ZINC000072113290 221406506 /nfs/dbraw/zinc/40/65/06/221406506.db2.gz KJNGJOQTPUZDBL-FQEVSTJZSA-N 0 0 360.417 4.394 1 5 FIBFRN CCn1nc(-c2ccnc(Nc3ccc([N+](=O)[O-])cc3)n2)c2ccccc21 ZINC000084741754 221730216 /nfs/dbraw/zinc/73/02/16/221730216.db2.gz PSGWYVYXHYYOMB-UHFFFAOYSA-N 0 0 360.377 4.165 1 5 FIBFRN COc1cc2oc3c4c(cc(OC)c3c(=O)c2cc1OC)OC(C)(C)C=C4 ZINC000014780255 560226302 /nfs/dbraw/zinc/22/63/02/560226302.db2.gz HOKSIMRGJUSYMV-UHFFFAOYSA-N 0 0 368.385 4.156 1 5 biogenic,in-vitro FIBFRN COc1cc(/C=C(\Cn2ccnc2)c2ccc([N+](=O)[O-])cc2)cc(OC)c1 ZINC000053295005 221044556 /nfs/dbraw/zinc/04/45/56/221044556.db2.gz YQTVYGYCYRUXSY-RQZCQDPDSA-N 0 0 365.389 4.049 1 5 FIBFRN Clc1cccc(Nc2nc3cc(-c4nn[nH]n4)ccc3c3cnccc32)c1 ZINC000066111754 221241569 /nfs/dbraw/zinc/24/15/69/221241569.db2.gz IGKXMIGRJGFVEE-UHFFFAOYSA-N 0 0 373.807 4.360 1 5 FIBFRN Cc1ccc(N2C(=O)N[C@H]3C[C@]2(C)Oc2ccc([N+](=O)[O-])cc23)cc1Cl ZINC000002498656 132383562 /nfs/dbraw/zinc/38/35/62/132383562.db2.gz SKXIILSBSGAJET-YJBOKZPZSA-N 0 0 373.796 4.326 1 5 FIBFRN CCCn1c2ccc([N+](=O)[O-])cc2c(=O)n1Cc1ccc2ccccc2c1 ZINC000095580555 221962994 /nfs/dbraw/zinc/96/29/94/221962994.db2.gz QFMSNIUZLUERAM-UHFFFAOYSA-N 0 0 361.401 4.323 1 5 FIBFRN