smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=[N+]([O-])c1ccc2[nH]c3cnc(NCc4ccccc4)cc3c2c1 ZINC000095556287 185379674 /nfs/dbraw/zinc/37/96/74/185379674.db2.gz PWWSTGMMBIFOJD-UHFFFAOYSA-N 0 0 318.336 4.236 1 5 DIBFRN COc1c2c(cc3c(=O)c4cc(C)ccc4oc31)OC(C)(C)C=C2 ZINC000096928332 185392261 /nfs/dbraw/zinc/39/22/61/185392261.db2.gz WLTAGTXVKHCYNR-UHFFFAOYSA-N 0 0 322.360 4.447 1 5 DIBFRN O=C(Nc1ccc2nc3ccccc3nc2c1)c1cccs1 ZINC000096932240 185392559 /nfs/dbraw/zinc/39/25/59/185392559.db2.gz IFPZAVYUEVLJLF-UHFFFAOYSA-N 0 0 305.362 4.097 1 5 DIBFRN CC1(C)Cc2cnn(-c3ccccc3)c2-c2cc([N+](=O)[O-])ccc21 ZINC000084587324 192443642 /nfs/dbraw/zinc/44/36/42/192443642.db2.gz XIGIOMHVYCFDKB-UHFFFAOYSA-N 0 0 319.364 4.281 1 5 DIBFRN O=[N+]([O-])c1ccccc1CNc1cc2c(cn1)[nH]c1ccccc12 ZINC000072176822 191071126 /nfs/dbraw/zinc/07/11/26/191071126.db2.gz UMIBZLRBAYWCHO-UHFFFAOYSA-N 0 0 318.336 4.236 1 5 DIBFRN COc1ccc(/C=C\c2cc(F)c(F)c(F)c2)cc1[N+](=O)[O-] ZINC000040972990 183153314 /nfs/dbraw/zinc/15/33/14/183153314.db2.gz FAJYSVVZMRUMJE-IHWYPQMZSA-N 0 0 309.243 4.191 1 5 DIBFRN COc1c2c(cc3c(=O)c4ccccc4oc31)CCC(C)(C)O2 ZINC000096928338 185392241 /nfs/dbraw/zinc/39/22/41/185392241.db2.gz UBFPJRWNHVZZEC-UHFFFAOYSA-N 0 0 310.349 4.058 1 5 DIBFRN COc1c2c(cc3c(=O)c4ccccc4oc31)OC(C)(C)CC2 ZINC000096932845 185392409 /nfs/dbraw/zinc/39/24/09/185392409.db2.gz AGPBWIJOTOAIJF-UHFFFAOYSA-N 0 0 310.349 4.058 1 5 DIBFRN COc1c2c(cc3c(=O)c4ccccc4oc31)C=CC(C)(C)O2 ZINC000096932840 185392562 /nfs/dbraw/zinc/39/25/62/185392562.db2.gz DGWZGTZFARNTOX-UHFFFAOYSA-N 0 0 308.333 4.139 1 5 DIBFRN O=c1oc2ccc(O)cc2c2c3cc(C(F)(F)F)ccc3[nH]c21 ZINC000073197375 191291426 /nfs/dbraw/zinc/29/14/26/191291426.db2.gz NQOUYYYDCNUVQE-UHFFFAOYSA-N 0 0 319.238 4.152 1 5 DIBFRN O=c1[nH]nc(-c2ccccc2)c2[nH]c3c(ccc4ccccc34)c21 ZINC000005974733 181302891 /nfs/dbraw/zinc/30/28/91/181302891.db2.gz JKVAPEYRKWFZCZ-UHFFFAOYSA-N 0 0 311.344 4.225 1 5 DIBFRN O=[N+]([O-])c1ccc(C2=NO[C@H](c3cccc(Cl)c3)C2)cc1 ZINC000098084177 193783415 /nfs/dbraw/zinc/78/34/15/193783415.db2.gz MKGYIQOSSZOJAP-HNNXBMFYSA-N 0 0 302.717 4.114 1 5 DIBFRN Cn1c(/C=C/c2ccccc2-c2ccccc2)ncc1[N+](=O)[O-] ZINC000040428778 183065367 /nfs/dbraw/zinc/06/53/67/183065367.db2.gz JHIHBOJTUVXACK-VAWYXSNFSA-N 0 0 305.337 4.166 1 5 DIBFRN O=C(Nc1ccc2nc3ccccc3nc2c1)C1CCCCC1 ZINC000096935025 185392785 /nfs/dbraw/zinc/39/27/85/185392785.db2.gz VFDMEYYLSYLAMN-UHFFFAOYSA-N 0 0 305.381 4.302 1 5 DIBFRN O=[N+]([O-])c1cc2c(c([N+](=O)[O-])c1F)CCCC21CCCCC1 ZINC000103192210 185437540 /nfs/dbraw/zinc/43/75/40/185437540.db2.gz ISBJRCNYVVUXSE-UHFFFAOYSA-N 0 0 308.309 4.180 1 5 DIBFRN O=[N+]([O-])c1ccc(NCc2cc3ccccc3nc2Cl)cc1 ZINC000103296238 185445249 /nfs/dbraw/zinc/44/52/49/185445249.db2.gz HJBQJQLAJCQSJA-UHFFFAOYSA-N 0 0 313.744 4.409 1 5 DIBFRN O=c1c2ccccc2[nH]c2cc(OCc3ccccc3)ccc21 ZINC000084712659 192460211 /nfs/dbraw/zinc/46/02/11/192460211.db2.gz LQRVYGWBPZBLIC-UHFFFAOYSA-N 0 0 301.345 4.260 1 5 DIBFRN O=[N+]([O-])c1ccc(NNc2ccnc3cc(Cl)ccc32)cc1 ZINC000004419286 181108193 /nfs/dbraw/zinc/10/81/93/181108193.db2.gz MOBZTQHHLZEMJU-UHFFFAOYSA-N 0 0 314.732 4.235 1 5 DIBFRN C[C@H](Nc1nc2cc[nH]c(=O)c2c2cc(F)ccc21)C(C)(C)C ZINC000064549582 184299636 /nfs/dbraw/zinc/29/96/36/184299636.db2.gz FWSWBGCMLCFSRN-JTQLQIEISA-N 0 0 313.376 4.062 1 5 DIBFRN Cc1ccc2oc(=O)c3cc4c(nc3c2c1)-c1ccccc1CC4 ZINC000103294502 185445101 /nfs/dbraw/zinc/44/51/01/185445101.db2.gz XLBKODSFFBSRDK-UHFFFAOYSA-N 0 0 313.356 4.415 1 5 DIBFRN COc1ccc2c(c1)[C@@]1(C)CCCCC[C@@H](C2)[C@@H]1[N+](C)(C)[O-] ZINC000147574865 186040575 /nfs/dbraw/zinc/04/05/75/186040575.db2.gz RCJKSZGWWRFXBJ-ZYSHUDEJSA-N 0 0 303.446 4.032 1 5 DIBFRN Cc1ccc(C(=O)Nc2ccc3ccc4cccnc4c3n2)cc1 ZINC000005140023 181208873 /nfs/dbraw/zinc/20/88/73/181208873.db2.gz ACGVQWOCJHCOIS-UHFFFAOYSA-N 0 0 313.360 4.344 1 5 DIBFRN O=C1Nc2ccc(-c3cccc([N+](=O)[O-])c3)cc2C12CCCCC2 ZINC000013860663 181907711 /nfs/dbraw/zinc/90/77/11/181907711.db2.gz IEJRGCKSKIRXCW-UHFFFAOYSA-N 0 0 322.364 4.416 1 5 DIBFRN CCOC(=O)c1c2[nH]c3ccccc3c2cc2nc(C)sc21 ZINC000029465864 182565943 /nfs/dbraw/zinc/56/59/43/182565943.db2.gz QBVAMLCQOFXQMF-UHFFFAOYSA-N 0 0 310.378 4.416 1 5 DIBFRN CC(C)Cc1c(=O)c2ccccc2c2nc3ccccc3[nH]c1-2 ZINC000102000862 193854942 /nfs/dbraw/zinc/85/49/42/193854942.db2.gz JCBTVMDEQLUSSK-UHFFFAOYSA-N 0 0 302.377 4.380 1 5 DIBFRN O=c1c2cc3ccccc3cc2oc2c3c(cc(O)c12)OCCC3 ZINC000040918652 183149372 /nfs/dbraw/zinc/14/93/72/183149372.db2.gz HHOIOZLDWJUHHS-UHFFFAOYSA-N 0 0 318.328 4.130 1 5 DIBFRN Cc1cccc(C(=O)Nc2ccc3nc4ccccc4nc3c2)c1 ZINC000096935023 185392726 /nfs/dbraw/zinc/39/27/26/185392726.db2.gz SANDJNHSIMDEJW-UHFFFAOYSA-N 0 0 313.360 4.344 1 5 DIBFRN Cc1cc(Br)c2c3ccc(O)c(C)c3oc(=O)c2c1 ZINC000003987045 181060322 /nfs/dbraw/zinc/06/03/22/181060322.db2.gz JOZIANFGUFWKJB-UHFFFAOYSA-N 0 0 319.154 4.031 1 5 DIBFRN O=c1cc(-c2ccc(Cl)c([N+](=O)[O-])c2)oc2ccccc12 ZINC000006117569 181313786 /nfs/dbraw/zinc/31/37/86/181313786.db2.gz YDQBNIDWVWSZQA-UHFFFAOYSA-N 0 0 301.685 4.022 1 5 DIBFRN O=C(C[C@H](C[N+](=O)[O-])c1ccccc1)c1cc2ccccc2o1 ZINC000043014417 183327955 /nfs/dbraw/zinc/32/79/55/183327955.db2.gz ZNHKGACMHGNUMH-OAHLLOKOSA-N 0 0 309.321 4.066 1 5 DIBFRN Nc1scc(-c2cccc([N+](=O)[O-])c2)c1C(=O)c1ccccc1 ZINC000043022021 183329458 /nfs/dbraw/zinc/32/94/58/183329458.db2.gz CDBUIOSGESBCCN-UHFFFAOYSA-N 0 0 324.361 4.137 1 5 DIBFRN C[C@@H](Nc1nc2cc[nH]c(=O)c2c2cc(F)ccc21)C(C)(C)C ZINC000064549583 184299689 /nfs/dbraw/zinc/29/96/89/184299689.db2.gz FWSWBGCMLCFSRN-SNVBAGLBSA-N 0 0 313.376 4.062 1 5 DIBFRN c1c2ccc(cc3ccc(cc4nc(cc5ccc1[nH]5)CC4)[nH]3)n2 ZINC000005845716 560203529 /nfs/dbraw/zinc/20/35/29/560203529.db2.gz SURLGNKAQXKNSP-UHFFFAOYSA-N 0 0 312.376 4.378 1 5 in-vitro DIBFRN O=[N+]([O-])c1ccc(-c2cc(-c3ccc4[nH]ccc4c3)on2)cc1 ZINC000095561587 185380005 /nfs/dbraw/zinc/38/00/05/185380005.db2.gz BKQPOWVQRQJLFQ-UHFFFAOYSA-N 0 0 305.293 4.398 1 5 DIBFRN O=C(Oc1cccc2oc(C3CC3)cc21)c1ccc([N+](=O)[O-])cc1 ZINC000096922092 185391747 /nfs/dbraw/zinc/39/17/47/185391747.db2.gz GJBNXJXEJAOASR-UHFFFAOYSA-N 0 0 323.304 4.438 1 5 DIBFRN COc1cc2c(c3oc4ccccc4c(=O)c13)OC(C)(C)C=C2 ZINC000096932848 185392539 /nfs/dbraw/zinc/39/25/39/185392539.db2.gz GEHOOMUECVMABY-UHFFFAOYSA-N 0 0 308.333 4.139 1 5 DIBFRN O=C(Cc1cccs1)Nc1ccc2nc3ccccc3nc2c1 ZINC000096932241 185392591 /nfs/dbraw/zinc/39/25/91/185392591.db2.gz CIOBQIKEMJJVTI-UHFFFAOYSA-N 0 0 319.389 4.026 1 5 DIBFRN Cc1ccccc1C(=O)Nc1ccc2nc3ccccc3nc2c1 ZINC000096935022 185392847 /nfs/dbraw/zinc/39/28/47/185392847.db2.gz HWPNUISQLCPPTP-UHFFFAOYSA-N 0 0 313.360 4.344 1 5 DIBFRN O=c1oc2ccc(O)cc2c2c1[nH]c1cccc(C(F)(F)F)c12 ZINC000082152927 192361419 /nfs/dbraw/zinc/36/14/19/192361419.db2.gz AIDSJCIQTLHYSQ-UHFFFAOYSA-N 0 0 319.238 4.152 1 5 DIBFRN CC(=O)Nc1ccc(-c2cnc3ccc4ccncc4c3c2)cc1 ZINC000028957593 182547036 /nfs/dbraw/zinc/54/70/36/182547036.db2.gz SBJYLYLBPXXYFA-UHFFFAOYSA-N 0 0 313.360 4.408 1 5 DIBFRN CC(C)CCc1c(=O)c2c(c3nc4ccccc4[nH]c1-3)CCCC2 ZINC000102000557 193855510 /nfs/dbraw/zinc/85/55/10/193855510.db2.gz KMJLUZXMEQCXEG-UHFFFAOYSA-N 0 0 320.436 4.495 1 5 DIBFRN COc1cccc(Cn2c3ccccc3c(=O)c3ccccc32)c1 ZINC000040845664 183141010 /nfs/dbraw/zinc/14/10/10/183141010.db2.gz CJNVUMOHFIPJHE-UHFFFAOYSA-N 0 0 315.372 4.212 1 5 DIBFRN Nc1ccccc1Nc1ccc2c(c1)ccc1ncccc1c2=O ZINC000040914484 183148030 /nfs/dbraw/zinc/14/80/30/183148030.db2.gz IVNNWHBPHXCJMH-UHFFFAOYSA-N 0 0 313.360 4.074 1 5 DIBFRN COc1ccc(Br)c2nc3cc(C)c(C)cc3nc12 ZINC000072109900 191038421 /nfs/dbraw/zinc/03/84/21/191038421.db2.gz LIGRRYJVNIHWRV-UHFFFAOYSA-N 0 0 317.186 4.171 1 5 DIBFRN Cc1cccc2c1cc1sc3nnc(-c4ccccc4)n3nc2-1 ZINC000072116753 191038632 /nfs/dbraw/zinc/03/86/32/191038632.db2.gz KMDZTEBQWFNEIB-UHFFFAOYSA-N 0 0 316.389 4.419 1 5 DIBFRN CCOc1ccnc2c(OC)c(C)c3nc4ccccc4nc3c12 ZINC000005502241 181250575 /nfs/dbraw/zinc/25/05/75/181250575.db2.gz JBUYZPDZOKNNRL-UHFFFAOYSA-N 0 0 319.364 4.047 1 5 DIBFRN Nc1scc(-c2ccc([N+](=O)[O-])cc2)c1C(=O)c1ccccc1 ZINC000043063030 183333372 /nfs/dbraw/zinc/33/33/72/183333372.db2.gz KEQHLJQPZVLREG-UHFFFAOYSA-N 0 0 324.361 4.137 1 5 DIBFRN O=c1[nH]ccc2nc(Nc3cccc(F)c3)c3ccc(F)cc3c21 ZINC000064560252 184299471 /nfs/dbraw/zinc/29/94/71/184299471.db2.gz VCIYSSWETBFVSU-UHFFFAOYSA-N 0 0 323.302 4.098 1 5 DIBFRN O=c1c2ccccc2n(CCc2ccccc2)c2cccc(O)c12 ZINC000064560543 184299751 /nfs/dbraw/zinc/29/97/51/184299751.db2.gz HTRZLMRENSALKP-UHFFFAOYSA-N 0 0 315.372 4.103 1 5 DIBFRN COc1c2c(cc3oc4ccccc4c(=O)c31)CCC(C)(C)O2 ZINC000096932849 185392545 /nfs/dbraw/zinc/39/25/45/185392545.db2.gz IEBFTSIPXMVBOB-UHFFFAOYSA-N 0 0 310.349 4.058 1 5 DIBFRN O=[N+]([O-])c1ccc2sc3c(ncnc3Nc3ccccc3)c2c1 ZINC000003815255 181046728 /nfs/dbraw/zinc/04/67/28/181046728.db2.gz NOBQECCESYXWPW-UHFFFAOYSA-N 0 0 322.349 4.496 1 5 DIBFRN O=[N+]([O-])c1ccc(-c2nc3c(cc4cccnc4c3Cl)[nH]2)cc1 ZINC000073224641 191295966 /nfs/dbraw/zinc/29/59/66/191295966.db2.gz XENAOWOBYWGOSI-UHFFFAOYSA-N 0 0 324.727 4.340 1 5 DIBFRN O=C1NCc2c1c1c3ccccc3oc1c1[nH]c3ccccc3c21 ZINC000014954822 181978031 /nfs/dbraw/zinc/97/80/31/181978031.db2.gz NHUGCPJQFQQDDG-UHFFFAOYSA-N 0 0 312.328 4.464 1 5 DIBFRN O=Cc1c[nH]c2c1ccc1c2[nH]c2cccc(Br)c21 ZINC000064479769 184298281 /nfs/dbraw/zinc/29/82/81/184298281.db2.gz IYKWFKKDLTZONH-UHFFFAOYSA-N 0 0 313.154 4.377 1 5 DIBFRN COc1c2c(cc3c(=O)c4cc(C)ccc4oc31)CCC(C)(C)O2 ZINC000096928328 185392150 /nfs/dbraw/zinc/39/21/50/185392150.db2.gz ITELNHZJIBOQEZ-UHFFFAOYSA-N 0 0 324.376 4.367 1 5 DIBFRN O=[N+]([O-])c1cccc(CNc2cc3c(cn2)[nH]c2ccccc23)c1 ZINC000072175919 191070926 /nfs/dbraw/zinc/07/09/26/191070926.db2.gz KKGKUYTTYJULKY-UHFFFAOYSA-N 0 0 318.336 4.236 1 5 DIBFRN Cc1nn(Cc2ccccc2)c(C)c1-c1cccc([N+](=O)[O-])c1 ZINC000001152769 180847779 /nfs/dbraw/zinc/84/77/79/180847779.db2.gz KGUAKVMUCCQJIK-UHFFFAOYSA-N 0 0 307.353 4.123 1 5 DIBFRN [O-][n+]1c2ccccc2c2nc3ccccc3nc2c1-c1ccccc1 ZINC000001628830 180880765 /nfs/dbraw/zinc/88/07/65/180880765.db2.gz DIIGJFPJBOJUOU-UHFFFAOYSA-N 0 0 323.355 4.237 1 5 DIBFRN COc1cc2c(c3cc(O)ccc3n2C)c2c(Cl)nccc12 ZINC000005932645 181297180 /nfs/dbraw/zinc/29/71/80/181297180.db2.gz CHGKIBLDKIVOTG-UHFFFAOYSA-N 0 0 312.756 4.247 1 5 DIBFRN O=C1c2nccc(Cl)c2-c2nc3ccccc3c3ccnc1c32 ZINC000026979387 182459906 /nfs/dbraw/zinc/45/99/06/182459906.db2.gz LWXZWXHVVUIXRN-UHFFFAOYSA-N 0 0 317.735 4.043 1 5 DIBFRN COc1ccc(/C=C/c2cc(F)c(F)c(F)c2)c([N+](=O)[O-])c1 ZINC000040973008 183153348 /nfs/dbraw/zinc/15/33/48/183153348.db2.gz ARBGJUWPWCCEQP-NSCUHMNNSA-N 0 0 309.243 4.191 1 5 DIBFRN O=Cc1c[nH]c2c1ccc1c3ccc(Br)cc3[nH]c12 ZINC000064491725 184298866 /nfs/dbraw/zinc/29/88/66/184298866.db2.gz SPEJLOPLPXXWKF-UHFFFAOYSA-N 0 0 313.154 4.377 1 5 DIBFRN O=c1oc2cc3occc3cc2c2oc3cc4c(cc3c21)OCO4 ZINC000015203333 571735201 /nfs/dbraw/zinc/73/52/01/571735201.db2.gz YQXNKHVPEJJBTJ-UHFFFAOYSA-N 0 0 320.256 4.167 1 5 endogenous,in-man DIBFRN Cc1ccc2oc3c(O)c4c(cc3c(=O)c2c1)CCC(C)(C)O4 ZINC000096928325 185392038 /nfs/dbraw/zinc/39/20/38/185392038.db2.gz ASFSORGBTIWQKF-UHFFFAOYSA-N 0 0 310.349 4.064 1 5 DIBFRN COc1cc2c(c3oc4ccccc4c(=O)c13)OC(C)(C)CC2 ZINC000096932850 185392398 /nfs/dbraw/zinc/39/23/98/185392398.db2.gz JCSVHRWWVSXXLL-UHFFFAOYSA-N 0 0 310.349 4.058 1 5 DIBFRN O=[N+]([O-])c1cccc(C2=NN[C@@H](c3ccc4ccccc4c3)C2)c1 ZINC000096932538 185392603 /nfs/dbraw/zinc/39/26/03/185392603.db2.gz TXJPFMBVJALRIY-LJQANCHMSA-N 0 0 317.348 4.187 1 5 DIBFRN Cc1cc(C=O)c2c(=O)c3c(O)ccc(/C=C/C(C)C)c3oc2c1 ZINC000006484412 181344484 /nfs/dbraw/zinc/34/44/84/181344484.db2.gz SYYAOFKGRFPPSI-SNAWJCMRSA-N 0 0 322.360 4.442 1 5 DIBFRN O=Cc1c[nH]c2c1ccc1c3cccc(Br)c3[nH]c12 ZINC000064475274 184298224 /nfs/dbraw/zinc/29/82/24/184298224.db2.gz CMILZUZLXJQSGJ-UHFFFAOYSA-N 0 0 313.154 4.377 1 5 DIBFRN COc1nc(-c2cccs2)cc2c3ccccc3oc(=O)c12 ZINC000064549878 184299702 /nfs/dbraw/zinc/29/97/02/184299702.db2.gz ZDTDKDFNSYFYRN-UHFFFAOYSA-N 0 0 309.346 4.078 1 5 DIBFRN O=[N+]([O-])c1cccc(C2=NN[C@H](c3ccc4ccccc4c3)C2)c1 ZINC000096932537 185392606 /nfs/dbraw/zinc/39/26/06/185392606.db2.gz TXJPFMBVJALRIY-IBGZPJMESA-N 0 0 317.348 4.187 1 5 DIBFRN O=Nc1c2ccccc2[nH]c1C1C(=O)Nc2ccc([N+](=O)[O-])cc21 ZINC000028334130 182521075 /nfs/dbraw/zinc/52/10/75/182521075.db2.gz GIMRHZPQMMMJKH-UHFFFAOYSA-N 0 0 322.280 4.328 1 5 DIBFRN COc1ccc(/C=C/c2cc(F)c(F)c(F)c2)cc1[N+](=O)[O-] ZINC000040973010 183153396 /nfs/dbraw/zinc/15/33/96/183153396.db2.gz FAJYSVVZMRUMJE-NSCUHMNNSA-N 0 0 309.243 4.191 1 5 DIBFRN O=C(C[C@@H](C[N+](=O)[O-])c1ccccc1)c1cc2ccccc2o1 ZINC000043014413 183327639 /nfs/dbraw/zinc/32/76/39/183327639.db2.gz ZNHKGACMHGNUMH-HNNXBMFYSA-N 0 0 309.321 4.066 1 5 DIBFRN Cc1cc(NC(=O)Nc2cccc([N+](=O)[O-])c2)c2ccccc2n1 ZINC000066112848 184390499 /nfs/dbraw/zinc/39/04/99/184390499.db2.gz RRABJQKLVBAURX-UHFFFAOYSA-N 0 0 322.324 4.095 1 5 DIBFRN O=c1cc(COc2cccc(O)c2)c2c(ccc3ccccc32)o1 ZINC000103201325 185438346 /nfs/dbraw/zinc/43/83/46/185438346.db2.gz MJKUMYIRRHEIGV-UHFFFAOYSA-N 0 0 318.328 4.231 1 5 DIBFRN Fc1ccc(-c2nc3c([nH]2)c2cccnc2c2ncccc32)cc1 ZINC000073221533 191294985 /nfs/dbraw/zinc/29/49/85/191294985.db2.gz FTSCIJYRLIDZLF-UHFFFAOYSA-N 0 0 314.323 4.465 1 5 DIBFRN Cc1ccc(Cl)c2c(=O)c3ccc([N+](=O)[O-])cc3sc12 ZINC000005843394 181288756 /nfs/dbraw/zinc/28/87/56/181288756.db2.gz MAAFWJAFQPGVAD-UHFFFAOYSA-N 0 0 305.742 4.285 1 5 DIBFRN Nc1ccccc1Nc1ccc2c(c1)ccc1ccncc1c2=O ZINC000040404801 183062097 /nfs/dbraw/zinc/06/20/97/183062097.db2.gz CHXJZJOYDIINKS-UHFFFAOYSA-N 0 0 313.360 4.074 1 5 DIBFRN CCOC(=O)Nc1ccc2cc3ccccc3nc2c1COC ZINC000040556751 183102536 /nfs/dbraw/zinc/10/25/36/183102536.db2.gz WAHLAVJBEOAHSW-UHFFFAOYSA-N 0 0 310.353 4.103 1 5 DIBFRN O=[N+]([O-])c1ccc(-c2nss/c2=N\c2ccccc2)cc1 ZINC000040981156 183154448 /nfs/dbraw/zinc/15/44/48/183154448.db2.gz CJDSFBOMFXOQJY-PFONDFGASA-N 0 0 315.379 4.012 1 5 DIBFRN COc1cc2c3c(cc4ccccc4c3c1OC)N(C(C)C)C2=O ZINC000040877821 183145117 /nfs/dbraw/zinc/14/51/17/183145117.db2.gz ZKKJWOWRAPREAG-UHFFFAOYSA-N 0 0 321.376 4.379 1 5 DIBFRN 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