smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1c(C[N@@H+]2CCn3cccc3[C@@H]2c2ccccc2)cccc1[N+](=O)[O-] ZINC000058406462 564158997 /nfs/dbraw/zinc/15/89/97/564158997.db2.gz PTLPUNVVOHKISU-NRFANRHFSA-N 1 2 347.418 4.310 50 5 EIBALO Cc1c(C[N@H+]2CCn3cccc3[C@@H]2c2ccccc2)cccc1[N+](=O)[O-] ZINC000058406462 564158998 /nfs/dbraw/zinc/15/89/98/564158998.db2.gz PTLPUNVVOHKISU-NRFANRHFSA-N 1 2 347.418 4.310 50 5 EIBALO CC(=O)c1c(C)cc(C)c(C[N@H+](C)Cc2ccccc2[N+](=O)[O-])c1C ZINC000026347719 202142020 /nfs/dbraw/zinc/14/20/20/202142020.db2.gz QVROXXAOOCVLMZ-UHFFFAOYSA-N 1 2 340.423 4.355 50 5 EIBALO CC(=O)c1c(C)cc(C)c(C[N@@H+](C)Cc2ccccc2[N+](=O)[O-])c1C ZINC000026347719 202142022 /nfs/dbraw/zinc/14/20/22/202142022.db2.gz QVROXXAOOCVLMZ-UHFFFAOYSA-N 1 2 340.423 4.355 50 5 EIBALO O=[N+]([O-])c1ccc(C[NH2+]N2[C@@H]3CCCC[C@@H]3C[C@@H]3CCCC[C@H]32)cc1 ZINC000230030417 242224895 /nfs/dbraw/zinc/22/48/95/242224895.db2.gz XVQZTFSRIZIHRA-PIKOESSRSA-N 1 2 343.471 4.423 50 5 EIBALO C[N@@H+](Cc1csc([N+](=O)[O-])c1)Cc1cc(Br)cs1 ZINC000054175334 564090387 /nfs/dbraw/zinc/09/03/87/564090387.db2.gz MMMOPEPTWZRZKC-UHFFFAOYSA-N 1 2 347.259 4.112 50 5 EIBALO C[N@H+](Cc1csc([N+](=O)[O-])c1)Cc1cc(Br)cs1 ZINC000054175334 564090388 /nfs/dbraw/zinc/09/03/88/564090388.db2.gz MMMOPEPTWZRZKC-UHFFFAOYSA-N 1 2 347.259 4.112 50 5 EIBALO Cc1c(C)n(Cc2ccco2)c2nc(C)n3c4ccccc4[nH+]c3c12 ZINC000006665054 564095639 /nfs/dbraw/zinc/09/56/39/564095639.db2.gz MEIBXOTWIGXCML-UHFFFAOYSA-N 1 2 330.391 4.404 50 5 EIBALO O=C(Nc1c2ccccc2[nH+]c2ccccc21)C(Cl)(Cl)Cl ZINC000004998782 563518200 /nfs/dbraw/zinc/51/82/00/563518200.db2.gz VGGIPCOTCBCUBE-UHFFFAOYSA-N 1 2 339.609 4.119 50 5 EIBALO O=[N+]([O-])c1ccccc1C[N@@H+]1CCn2cccc2[C@H]1c1ccccc1 ZINC000040086094 564167932 /nfs/dbraw/zinc/16/79/32/564167932.db2.gz HUQIJNFZLJYHSP-HXUWFJFHSA-N 1 2 333.391 4.002 50 5 EIBALO O=[N+]([O-])c1ccccc1C[N@H+]1CCn2cccc2[C@H]1c1ccccc1 ZINC000040086094 564167933 /nfs/dbraw/zinc/16/79/33/564167933.db2.gz HUQIJNFZLJYHSP-HXUWFJFHSA-N 1 2 333.391 4.002 50 5 EIBALO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])c(F)c1)c1nc(C(C)(C)C)cs1 ZINC000328589571 563984185 /nfs/dbraw/zinc/98/41/85/563984185.db2.gz QOTPSQKMRHJSNQ-SNVBAGLBSA-N 1 2 337.420 4.339 50 5 EIBALO Cn1cc[nH+]c1[C@H](Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000012579336 564059976 /nfs/dbraw/zinc/05/99/76/564059976.db2.gz KWZWBBRCMOQSCW-MRXNPFEDSA-N 1 2 342.786 4.183 50 5 EIBALO Cn1cc[nH+]c1[C@@H](Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000012579328 564059980 /nfs/dbraw/zinc/05/99/80/564059980.db2.gz KWZWBBRCMOQSCW-INIZCTEOSA-N 1 2 342.786 4.183 50 5 EIBALO Cc1c2c(cc3c4ccccc4c(=O)oc13)CN(c1cccc[nH+]1)CO2 ZINC000020567155 563859671 /nfs/dbraw/zinc/85/96/71/563859671.db2.gz GDBSUAWIBYKZPI-UHFFFAOYSA-N 1 2 344.370 4.006 50 5 EIBALO Cc1cc(N2CCCCCCC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000060858199 563983115 /nfs/dbraw/zinc/98/31/15/563983115.db2.gz VUQSZQJPJKDKQZ-UHFFFAOYSA-N 1 2 326.400 4.131 50 5 EIBALO Cc1cc(N[C@@H]2CCc3ccccc32)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000084114679 564066673 /nfs/dbraw/zinc/06/66/73/564066673.db2.gz CJXXVZKISRYRSU-GOSISDBHSA-N 1 2 346.390 4.460 50 5 EIBALO O=[N+]([O-])c1ccc(Nc2ccc(N3CCCCC3)[nH+]c2)c2ccncc21 ZINC000065584843 564107807 /nfs/dbraw/zinc/10/78/07/564107807.db2.gz GUVYNYMQLLPHTI-UHFFFAOYSA-N 1 2 349.394 4.272 50 5 EIBALO Cc1c(C[NH2+][C@H](C)c2nc(C(F)(F)F)cs2)cccc1[N+](=O)[O-] ZINC000390833420 564138784 /nfs/dbraw/zinc/13/87/84/564138784.db2.gz HIAFLQLSNOAELT-SECBINFHSA-N 1 2 345.346 4.229 50 5 EIBALO O=[N+]([O-])c1ccc(C[NH2+]N2[C@@H]3CCCC[C@@H]3C[C@H]3CCCC[C@@H]32)cc1 ZINC000019169395 202000104 /nfs/dbraw/zinc/00/01/04/202000104.db2.gz XVQZTFSRIZIHRA-LFGUQSLTSA-N 1 2 343.471 4.423 50 5 EIBALO Cn1c2ccccc2[nH+]c1CCCCCNc1ccccc1[N+](=O)[O-] ZINC000044125433 563981554 /nfs/dbraw/zinc/98/15/54/563981554.db2.gz RIIINGIUZXMCDY-UHFFFAOYSA-N 1 2 338.411 4.306 50 5 EIBALO Cc1oc(-c2ccccc2)nc1C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000390833132 564138757 /nfs/dbraw/zinc/13/87/57/564138757.db2.gz CNHMAPIHCCWTCV-ZDUSSCGKSA-N 1 2 337.379 4.409 50 5 EIBALO O=[N+]([O-])c1ccccc1C[N@@H+]1CCn2cccc2[C@@H]1c1ccccc1 ZINC000040086095 564167927 /nfs/dbraw/zinc/16/79/27/564167927.db2.gz HUQIJNFZLJYHSP-FQEVSTJZSA-N 1 2 333.391 4.002 50 5 EIBALO O=[N+]([O-])c1ccccc1C[N@H+]1CCn2cccc2[C@@H]1c1ccccc1 ZINC000040086095 564167928 /nfs/dbraw/zinc/16/79/28/564167928.db2.gz HUQIJNFZLJYHSP-FQEVSTJZSA-N 1 2 333.391 4.002 50 5 EIBALO Cc1cc2[nH+]cn(CCCOc3cccc([N+](=O)[O-])c3)c2cc1C ZINC000004759487 563973147 /nfs/dbraw/zinc/97/31/47/563973147.db2.gz RIFIFPSBVROWNG-UHFFFAOYSA-N 1 2 325.368 4.030 50 5 EIBALO O=[N+]([O-])c1ccccc1CNc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000378285534 564166283 /nfs/dbraw/zinc/16/62/83/564166283.db2.gz FYMIYDZNSFAYIF-UHFFFAOYSA-N 1 2 346.390 4.122 50 5 EIBALO O=[N+]([O-])c1ccc(-c2cn3c([nH+]2)CCc2ccc4cccnc4c2-3)cc1 ZINC000005072387 210385285 /nfs/dbraw/zinc/38/52/85/210385285.db2.gz UBKYJQGCYLXTET-UHFFFAOYSA-N 1 2 342.358 4.094 50 5 EIBALO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)Cc1ncc(-c2ccccc2)o1 ZINC000096404454 564147274 /nfs/dbraw/zinc/14/72/74/564147274.db2.gz BJNHSNZCDJWPDS-CQSZACIVSA-N 1 2 337.379 4.443 50 5 EIBALO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+](C)Cc1ncc(-c2ccccc2)o1 ZINC000096404454 564147275 /nfs/dbraw/zinc/14/72/75/564147275.db2.gz BJNHSNZCDJWPDS-CQSZACIVSA-N 1 2 337.379 4.443 50 5 EIBALO CC[N@H+](Cc1ncc(-c2ccccc2)o1)Cc1cccc([N+](=O)[O-])c1 ZINC000032928706 563836407 /nfs/dbraw/zinc/83/64/07/563836407.db2.gz RSNCIDKEVKJLJF-UHFFFAOYSA-N 1 2 337.379 4.272 50 5 EIBALO CC[N@@H+](Cc1ncc(-c2ccccc2)o1)Cc1cccc([N+](=O)[O-])c1 ZINC000032928706 563836411 /nfs/dbraw/zinc/83/64/11/563836411.db2.gz RSNCIDKEVKJLJF-UHFFFAOYSA-N 1 2 337.379 4.272 50 5 EIBALO Cc1[nH+]c2cc(Nc3ncccc3[N+](=O)[O-])ccc2n1-c1ccccc1 ZINC000007139547 564105439 /nfs/dbraw/zinc/10/54/39/564105439.db2.gz RGXZUUAQGNRFKN-UHFFFAOYSA-N 1 2 345.362 4.381 50 5 EIBALO c1ccc2c(c1)[nH+]c1c3ccccc3nc(SC[C@H]3CCCO3)n21 ZINC000006931571 258052266 /nfs/dbraw/zinc/05/22/66/258052266.db2.gz AJJJGXNIORJRQV-CYBMUJFWSA-N 1 2 335.432 4.307 50 5 EIBALO Cc1ccc([C@H](C)[NH2+]Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)o1 ZINC000097373988 563599266 /nfs/dbraw/zinc/59/92/66/563599266.db2.gz UQAAFODQQPEZCW-LBPRGKRZSA-N 1 2 327.340 4.002 50 5 EIBALO Cc1c(C[NH2+][C@@H](C)c2nc(C(F)(F)F)cs2)cccc1[N+](=O)[O-] ZINC000390833421 564138769 /nfs/dbraw/zinc/13/87/69/564138769.db2.gz HIAFLQLSNOAELT-VIFPVBQESA-N 1 2 345.346 4.229 50 5 EIBALO O=[N+]([O-])c1ccc2ncnc(Nc3ccc([NH+]4CCCCC4)cc3)c2c1 ZINC000012082692 211288322 /nfs/dbraw/zinc/28/83/22/211288322.db2.gz PRACBCOCIKBIQU-UHFFFAOYSA-N 1 2 349.394 4.272 50 5 EIBALO Cc1nnc(CSc2nc3ccccc3c3[nH+]c4ccccc4n32)o1 ZINC000009367299 211076224 /nfs/dbraw/zinc/07/62/24/211076224.db2.gz PZECQPCNCPUECZ-UHFFFAOYSA-N 1 2 347.403 4.019 50 5 EIBALO Cc1ccc([C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])c2ccccn2)cc1 ZINC000328588331 258045891 /nfs/dbraw/zinc/04/58/91/258045891.db2.gz BWYZXZOOOAESQR-HXUWFJFHSA-N 1 2 333.391 4.177 50 5 EIBALO c1ccc2c(c1)[nH+]c1c3ccccc3nc(SC[C@@H]3CCCO3)n21 ZINC000006931563 258052192 /nfs/dbraw/zinc/05/21/92/258052192.db2.gz AJJJGXNIORJRQV-ZDUSSCGKSA-N 1 2 335.432 4.307 50 5 EIBALO CC[N@H+](Cc1csc(C(C)(C)C)n1)Cc1cccc([N+](=O)[O-])c1 ZINC000048054442 564029905 /nfs/dbraw/zinc/02/99/05/564029905.db2.gz ROKUVKCPOONIKF-UHFFFAOYSA-N 1 2 333.457 4.371 50 5 EIBALO CC[N@@H+](Cc1csc(C(C)(C)C)n1)Cc1cccc([N+](=O)[O-])c1 ZINC000048054442 564029906 /nfs/dbraw/zinc/02/99/06/564029906.db2.gz ROKUVKCPOONIKF-UHFFFAOYSA-N 1 2 333.457 4.371 50 5 EIBALO O=[N+]([O-])c1cccc(C[N@@H+]2CCn3cccc3[C@H]2c2ccccc2)c1 ZINC000030588877 564157028 /nfs/dbraw/zinc/15/70/28/564157028.db2.gz VPNGCEAOPFCEFC-HXUWFJFHSA-N 1 2 333.391 4.002 50 5 EIBALO O=[N+]([O-])c1cccc(C[N@H+]2CCn3cccc3[C@H]2c2ccccc2)c1 ZINC000030588877 564157029 /nfs/dbraw/zinc/15/70/29/564157029.db2.gz VPNGCEAOPFCEFC-HXUWFJFHSA-N 1 2 333.391 4.002 50 5 EIBALO Cc1csc(C2([NH2+]Cc3ccc([N+](=O)[O-])cc3F)CCCC2)n1 ZINC000096459527 563953990 /nfs/dbraw/zinc/95/39/90/563953990.db2.gz RNEOSRQWNHSOJT-UHFFFAOYSA-N 1 2 335.404 4.058 50 5 EIBALO Cc1cc(N(C)Cc2ccsc2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000060858442 563983119 /nfs/dbraw/zinc/98/31/19/563983119.db2.gz ZLOBJAXWLHHOFW-UHFFFAOYSA-N 1 2 340.408 4.058 50 5 EIBALO CCc1nc2c(c(C)c(C)n2C[C@@H]2CCCO2)c2[nH+]c3ccccc3n21 ZINC000006665229 564095629 /nfs/dbraw/zinc/09/56/29/564095629.db2.gz SOPFDJNMGDGEOB-HNNXBMFYSA-N 1 2 348.450 4.195 50 5 EIBALO Cc1cc([N+](=O)[O-])sc1N1CCC(c2[nH]c3ccccc3[nH+]2)CC1 ZINC000065514624 564106710 /nfs/dbraw/zinc/10/67/10/564106710.db2.gz CFAYBGZVKPXXRT-UHFFFAOYSA-N 1 2 342.424 4.225 50 5 EIBALO O=[N+]([O-])c1ccc2c(c1)C=C1CCCC[C@]1([NH2+]Cc1ccco1)O2 ZINC000027551182 564132126 /nfs/dbraw/zinc/13/21/26/564132126.db2.gz XDOHTZCIFWKSNQ-SFHVURJKSA-N 1 2 326.352 4.024 50 5 EIBALO Cn1c(-c2ccc(F)cc2)cn2cc(-c3cccc([N+](=O)[O-])c3)[nH+]c12 ZINC000004678260 210244137 /nfs/dbraw/zinc/24/41/37/210244137.db2.gz NBQFXJCLTFWXEV-UHFFFAOYSA-N 1 2 336.326 4.054 50 5 EIBALO O=C1c2ccccc2C(=O)N1Cc1cccc2cc3ccccc3[nH+]c21 ZINC000004188439 210141986 /nfs/dbraw/zinc/14/19/86/210141986.db2.gz MIACVWPCUHSXJM-UHFFFAOYSA-N 1 2 338.366 4.184 50 5 EIBALO Cc1oc(-c2ccccc2)nc1C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000390833131 564138732 /nfs/dbraw/zinc/13/87/32/564138732.db2.gz CNHMAPIHCCWTCV-CYBMUJFWSA-N 1 2 337.379 4.409 50 5 EIBALO O=C(Nc1nc2ccccc2c2[nH+]c3ccccc3n21)c1ccccc1 ZINC000003893411 210085560 /nfs/dbraw/zinc/08/55/60/210085560.db2.gz JLTNUHKVVOHAFH-UHFFFAOYSA-N 1 2 338.370 4.288 50 5 EIBALO O=[N+]([O-])c1ccc(NCc2ccc(Cn3cc[nH+]c3)cc2)c(Cl)c1 ZINC000032855850 212857519 /nfs/dbraw/zinc/85/75/19/212857519.db2.gz ANTGZBNIGMXXCV-UHFFFAOYSA-N 1 2 342.786 4.105 50 5 EIBALO O=[N+]([O-])c1ccc(C[NH2+]N2[C@@H]3CCCC[C@@H]3C[C@@H]3CCCC[C@@H]32)cc1 ZINC000019168252 212002757 /nfs/dbraw/zinc/00/27/57/212002757.db2.gz XVQZTFSRIZIHRA-TZRIAGMCSA-N 1 2 343.471 4.423 50 5 EIBALO Cc1ccc([C@@H](C)[NH2+]Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)o1 ZINC000097373986 563599411 /nfs/dbraw/zinc/59/94/11/563599411.db2.gz UQAAFODQQPEZCW-GFCCVEGCSA-N 1 2 327.340 4.002 50 5 EIBALO C[C@H]([NH2+]Cc1cc(O)ccc1[N+](=O)[O-])c1ccc(-c2ccncc2)cc1 ZINC000089904938 564115047 /nfs/dbraw/zinc/11/50/47/564115047.db2.gz UEWWXIHMGLQSOE-AWEZNQCLSA-N 1 2 349.390 4.213 50 5 EIBALO Cc1cc(C(=[NH2+])c2cccc3ccccc32)c([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000002519762 564137254 /nfs/dbraw/zinc/13/72/54/564137254.db2.gz HANRONFKLJOHKH-UHFFFAOYSA-N 1 2 335.319 4.381 50 5 EIBALO O=[N+]([O-])c1ccc(C[NH2+]N2[C@@H]3CCCC[C@@H]3C[C@H]3CCCC[C@H]32)cc1 ZINC000239433527 527351792 /nfs/dbraw/zinc/35/17/92/527351792.db2.gz XVQZTFSRIZIHRA-HNBVOPMISA-N 1 2 343.471 4.423 50 5 EIBALO CCc1nc2c(c(C)c(C)n2CCCOC)c2[nH+]c3ccccc3n21 ZINC000006665401 564095674 /nfs/dbraw/zinc/09/56/74/564095674.db2.gz BZVFASOQNDGDHR-UHFFFAOYSA-N 1 2 336.439 4.053 50 5 EIBALO O=[N+]([O-])c1cccc(C[N@@H+]2CCn3cccc3[C@@H]2c2ccccc2)c1 ZINC000030588876 564157005 /nfs/dbraw/zinc/15/70/05/564157005.db2.gz VPNGCEAOPFCEFC-FQEVSTJZSA-N 1 2 333.391 4.002 50 5 EIBALO O=[N+]([O-])c1cccc(C[N@H+]2CCn3cccc3[C@@H]2c2ccccc2)c1 ZINC000030588876 564157006 /nfs/dbraw/zinc/15/70/06/564157006.db2.gz VPNGCEAOPFCEFC-FQEVSTJZSA-N 1 2 333.391 4.002 50 5 EIBALO O=[N+]([O-])c1ccc2c(c1)C=C1CCCC[C@@]1([NH2+]Cc1ccco1)O2 ZINC000027551185 212562766 /nfs/dbraw/zinc/56/27/66/212562766.db2.gz XDOHTZCIFWKSNQ-GOSISDBHSA-N 1 2 326.352 4.024 50 5 EIBALO CCc1nc2c(c(C)c(C)n2C[C@H]2CCCO2)c2[nH+]c3ccccc3n21 ZINC000006665231 564095645 /nfs/dbraw/zinc/09/56/45/564095645.db2.gz SOPFDJNMGDGEOB-OAHLLOKOSA-N 1 2 348.450 4.195 50 5 EIBALO Cc1cc(C(=[NH2+])c2ccc3ccccc3c2)c([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000002519761 564150231 /nfs/dbraw/zinc/15/02/31/564150231.db2.gz DCEMSWGGPAAJQJ-UHFFFAOYSA-N 1 2 335.319 4.381 50 5 EIBALO Cn1c(-c2cccc([N+](=O)[O-])c2)cn2cc(-c3ccc(F)cc3)[nH+]c12 ZINC000004678170 210243850 /nfs/dbraw/zinc/24/38/50/210243850.db2.gz NQDDUZGYBXGAFO-UHFFFAOYSA-N 1 2 336.326 4.054 50 5 EIBALO Cc1ccc(OCCCn2c[nH+]c3cc(C)c(C)cc32)c([N+](=O)[O-])c1 ZINC000008708007 564166555 /nfs/dbraw/zinc/16/65/55/564166555.db2.gz OXVZJJAPAOADCM-UHFFFAOYSA-N 1 2 339.395 4.339 50 5 EIBALO Cc1ccc(-c2cn3cc(-c4cccc([N+](=O)[O-])c4)n(C)c3[nH+]2)cc1 ZINC000004678303 210245184 /nfs/dbraw/zinc/24/51/84/210245184.db2.gz VCRIQANHBUGQKN-UHFFFAOYSA-N 1 2 332.363 4.223 50 5 EIBALO Cc1cc(N[C@@H]2CCc3ccccc32)nc(-c2cccc([N+](=O)[O-])c2)[nH+]1 ZINC000065512949 564106790 /nfs/dbraw/zinc/10/67/90/564106790.db2.gz RLZVXBNYQDAWCK-GOSISDBHSA-N 1 2 346.390 4.460 50 5 EIBALO Cc1csc(C2([NH2+]Cc3cc(F)ccc3[N+](=O)[O-])CCCC2)n1 ZINC000177170921 257954022 /nfs/dbraw/zinc/95/40/22/257954022.db2.gz NEJTVIJGRDRMHG-UHFFFAOYSA-N 1 2 335.404 4.058 50 5 EIBALO CC[NH2+]c1cc(C)c(C)cc1-n1cnc(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000000196146 563988093 /nfs/dbraw/zinc/98/80/93/563988093.db2.gz CBTDUVDISNMPNT-UHFFFAOYSA-N 1 2 336.395 4.496 50 5 EIBALO Cc1cc(N[C@H]2CCc3ccccc32)nc(-c2cccc([N+](=O)[O-])c2)[nH+]1 ZINC000065512950 564106774 /nfs/dbraw/zinc/10/67/74/564106774.db2.gz RLZVXBNYQDAWCK-SFHVURJKSA-N 1 2 346.390 4.460 50 5 EIBALO C[C@@H]([NH2+]Cc1cc(O)ccc1[N+](=O)[O-])c1ccc(-c2ccncc2)cc1 ZINC000089904939 564115040 /nfs/dbraw/zinc/11/50/40/564115040.db2.gz UEWWXIHMGLQSOE-CQSZACIVSA-N 1 2 349.390 4.213 50 5 EIBALO Cc1c(C[N@@H+]2CCn3cccc3[C@H]2c2ccccc2)cccc1[N+](=O)[O-] ZINC000058406463 564158979 /nfs/dbraw/zinc/15/89/79/564158979.db2.gz PTLPUNVVOHKISU-OAQYLSRUSA-N 1 2 347.418 4.310 50 5 EIBALO Cc1c(C[N@H+]2CCn3cccc3[C@H]2c2ccccc2)cccc1[N+](=O)[O-] ZINC000058406463 564158980 /nfs/dbraw/zinc/15/89/80/564158980.db2.gz PTLPUNVVOHKISU-OAQYLSRUSA-N 1 2 347.418 4.310 50 5 EIBALO Cc1ccc([C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])c2ccccn2)cc1 ZINC000328588327 258045665 /nfs/dbraw/zinc/04/56/65/258045665.db2.gz BWYZXZOOOAESQR-FQEVSTJZSA-N 1 2 333.391 4.177 50 5 EIBALO C[N@H+](Cc1csc(Br)c1)Cc1ccccc1[N+](=O)[O-] ZINC000047701956 564029669 /nfs/dbraw/zinc/02/96/69/564029669.db2.gz GOPDYLPTHXEOQO-UHFFFAOYSA-N 1 2 341.230 4.051 50 5 EIBALO C[N@@H+](Cc1csc(Br)c1)Cc1ccccc1[N+](=O)[O-] ZINC000047701956 564029670 /nfs/dbraw/zinc/02/96/70/564029670.db2.gz GOPDYLPTHXEOQO-UHFFFAOYSA-N 1 2 341.230 4.051 50 5 EIBALO CC(=O)c1ccc(Nc2ccc([NH+]3CCCC3)cc2)c([N+](=O)[O-])c1 ZINC000007984825 563966004 /nfs/dbraw/zinc/96/60/04/563966004.db2.gz COYILXFPFZYGFR-UHFFFAOYSA-N 1 2 325.368 4.141 50 5 EIBALO C[NH+](C)c1ccc(Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 ZINC000004868006 210308264 /nfs/dbraw/zinc/30/82/64/210308264.db2.gz XTVBYUNYHFTIST-UHFFFAOYSA-N 1 2 325.290 4.423 50 5 EIBALO O=[N+]([O-])c1ccc(Nc2ccc([NH+]3CCCC3)cc2)c2ccncc21 ZINC000012557628 564059349 /nfs/dbraw/zinc/05/93/49/564059349.db2.gz CFGIJXWBUAGMFO-UHFFFAOYSA-N 1 2 334.379 4.487 50 5 EIBALO CNc1cc[nH+]c(N(Cc2ccccc2)Cc2ccccc2)c1[N+](=O)[O-] ZINC000526059851 564108714 /nfs/dbraw/zinc/10/87/14/564108714.db2.gz XRSABRSWIODDCS-UHFFFAOYSA-N 1 2 348.406 4.238 50 5 EIBALO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])c(F)c1)c1nc(C(C)(C)C)cs1 ZINC000328589570 258045002 /nfs/dbraw/zinc/04/50/02/258045002.db2.gz QOTPSQKMRHJSNQ-JTQLQIEISA-N 1 2 337.420 4.339 50 5 EIBALO O=[N+]([O-])c1ccc2sc(SCc3cn4ccccc4[nH+]3)nc2c1 ZINC000000067813 209398756 /nfs/dbraw/zinc/39/87/56/209398756.db2.gz OZBFPWQIRMEPQL-UHFFFAOYSA-N 1 2 342.405 4.145 50 5 EIBALO O=C(Nc1c2ccccc2[nH+]c2c1CCCC2)c1cccc([N+](=O)[O-])c1 ZINC000004922253 210323862 /nfs/dbraw/zinc/32/38/62/210323862.db2.gz LJRSERXNPIWSGH-UHFFFAOYSA-N 1 2 347.374 4.274 50 5 EIBALO Cc1cc(N[C@H]2CCc3ccccc32)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000060858547 563983117 /nfs/dbraw/zinc/98/31/17/563983117.db2.gz CJXXVZKISRYRSU-SFHVURJKSA-N 1 2 346.390 4.460 50 5 EIBALO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)Cc1ncc(-c2ccccc2)o1 ZINC000096404452 564147292 /nfs/dbraw/zinc/14/72/92/564147292.db2.gz BJNHSNZCDJWPDS-AWEZNQCLSA-N 1 2 337.379 4.443 50 5 EIBALO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+](C)Cc1ncc(-c2ccccc2)o1 ZINC000096404452 564147293 /nfs/dbraw/zinc/14/72/93/564147293.db2.gz BJNHSNZCDJWPDS-AWEZNQCLSA-N 1 2 337.379 4.443 50 5 EIBALO Cc1ccc(-c2cn3cc(-c4cccc([N+](=O)[O-])c4)[nH+]c3n2C)cc1 ZINC000004678672 210245413 /nfs/dbraw/zinc/24/54/13/210245413.db2.gz JJUCTEGFCLQYEW-UHFFFAOYSA-N 1 2 332.363 4.223 50 5 EIBALO