smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000588437343 842605320 /nfs/dbraw/zinc/60/53/20/842605320.db2.gz FMWDNTAKLDEBQC-MSUUIHNZSA-N 1 1 395.459 3.512 10 5 GHBEMO C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000588445379 842811168 /nfs/dbraw/zinc/81/11/68/842811168.db2.gz KJFPNMNZECQHRK-TXOBRMIJSA-N 1 1 393.487 3.679 10 5 GHBEMO Cc1csc(C2CC[NH+](Cc3cc([N+](=O)[O-])cc4c3OCOC4)CC2)n1 ZINC000156759132 860950363 /nfs/dbraw/zinc/95/03/63/860950363.db2.gz BMKCWPRIKHGOJA-UHFFFAOYSA-N 1 1 375.450 3.606 10 5 GHBEMO Cc1cccc(N2CCC(NC(=O)Nc3c(C)ccc([N+](=O)[O-])c3C)CC2)[nH+]1 ZINC000127924180 887123653 /nfs/dbraw/zinc/12/36/53/887123653.db2.gz ZUKASQGFAKACNH-UHFFFAOYSA-N 1 1 383.452 3.706 10 5 GHBEMO C[N@H+]1CCC[C@H](CNCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[C@@H]1c1cccs1 ZINC000194475108 888367466 /nfs/dbraw/zinc/36/74/66/888367466.db2.gz DXYWCYANLKUYLB-RDTXWAMCSA-N 1 1 390.465 3.737 10 5 GHBEMO O=[N+]([O-])c1ccc(-c2nnc(C[NH+]3CCC(Nc4ccccc4F)CC3)o2)cc1 ZINC000129027944 844304328 /nfs/dbraw/zinc/30/43/28/844304328.db2.gz GUWIYWFLDUURGJ-UHFFFAOYSA-N 1 1 397.410 3.860 10 5 GHBEMO C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000588443821 842770659 /nfs/dbraw/zinc/77/06/59/842770659.db2.gz KVOQAWUYIYQDCG-VLGSPTGOSA-N 1 1 379.460 3.733 10 5 GHBEMO Cn1ncc2c1CCC[C@@H]2[N@@H+](C)CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000135576290 848155954 /nfs/dbraw/zinc/15/59/54/848155954.db2.gz ARXMTWWEGKHRBM-KRWDZBQOSA-N 1 1 381.436 3.535 10 5 GHBEMO O=C(C1CC[NH+](Cc2c(F)cccc2[N+](=O)[O-])CC1)N1CCc2ccccc21 ZINC000103470152 838422487 /nfs/dbraw/zinc/42/24/87/838422487.db2.gz INTKSCWRAPIOBN-UHFFFAOYSA-N 1 1 383.423 3.535 10 5 GHBEMO C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000588439246 842737146 /nfs/dbraw/zinc/73/71/46/842737146.db2.gz NACQZFVRXJMONZ-NUVSWBFWSA-N 1 1 393.487 3.979 10 5 GHBEMO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N[C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000120117981 837542789 /nfs/dbraw/zinc/54/27/89/837542789.db2.gz BBKLVPOIYMTZAU-WMZOPIPTSA-N 1 1 397.479 3.639 10 5 GHBEMO Cc1c(NC(=O)CC[N@H+]2CCC[C@H]2c2ccc3c(c2)OCO3)cccc1[N+](=O)[O-] ZINC000102929089 838270272 /nfs/dbraw/zinc/27/02/72/838270272.db2.gz XAUPTBAGSXMHIJ-SFHVURJKSA-N 1 1 397.431 3.798 10 5 GHBEMO CC(=O)N1CC[C@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)c2ccc(F)cc2C1 ZINC000185352510 859952275 /nfs/dbraw/zinc/95/22/75/859952275.db2.gz RXRYLCUHJZOKFU-IBGZPJMESA-N 1 1 391.830 3.970 10 5 GHBEMO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H](c3nncn3C3CC3)C2)c(C(F)(F)F)c1 ZINC000180884357 837665171 /nfs/dbraw/zinc/66/51/71/837665171.db2.gz LCJHUSLDLULXPP-CYBMUJFWSA-N 1 1 395.385 3.920 10 5 GHBEMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@H](c3nncn3C3CC3)C2)c(C(F)(F)F)c1 ZINC000180884357 837665178 /nfs/dbraw/zinc/66/51/78/837665178.db2.gz LCJHUSLDLULXPP-CYBMUJFWSA-N 1 1 395.385 3.920 10 5 GHBEMO COc1ccccc1CC[N@@H+](C)[C@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000104710368 838900061 /nfs/dbraw/zinc/90/00/61/838900061.db2.gz JVUAMZYVSVCALV-CQSZACIVSA-N 1 1 382.420 3.889 10 5 GHBEMO Cn1cc[nH+]c1CC1CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)CC1 ZINC000178622091 847786654 /nfs/dbraw/zinc/78/66/54/847786654.db2.gz WRUVVXSCKRBFQL-UHFFFAOYSA-N 1 1 384.461 3.638 10 5 GHBEMO CC(=O)N1CC[C@@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)c2ccc(F)cc2C1 ZINC000185352529 859952858 /nfs/dbraw/zinc/95/28/58/859952858.db2.gz RXRYLCUHJZOKFU-LJQANCHMSA-N 1 1 391.830 3.970 10 5 GHBEMO O=[N+]([O-])c1ccc(C[NH+]2CCC(OC[C@@H]3CCCO3)CC2)c(C(F)(F)F)c1 ZINC000156694163 840474921 /nfs/dbraw/zinc/47/49/21/840474921.db2.gz QBTPLMXVDYKZEA-INIZCTEOSA-N 1 1 388.386 3.774 10 5 GHBEMO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC1CCN(c2ccc(C)c[nH+]2)CC1 ZINC000185406295 860092755 /nfs/dbraw/zinc/09/27/55/860092755.db2.gz UHJJWXWWNUTXQR-SFHVURJKSA-N 1 1 396.491 3.652 10 5 GHBEMO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000127884453 847628909 /nfs/dbraw/zinc/62/89/09/847628909.db2.gz PDEHRWQAZMYBPE-YJBOKZPZSA-N 1 1 397.479 3.639 10 5 GHBEMO O=C(C1CC[NH+](Cc2cc([N+](=O)[O-])ccc2Cl)CC1)N1CCCCCC1 ZINC000172174125 856361586 /nfs/dbraw/zinc/36/15/86/856361586.db2.gz DQJKNBWPWVQCLJ-UHFFFAOYSA-N 1 1 379.888 3.863 10 5 GHBEMO COc1ccccc1CC[N@H+](C)[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000104710901 874662443 /nfs/dbraw/zinc/66/24/43/874662443.db2.gz XZZGJWJJQIZVCC-CYBMUJFWSA-N 1 1 391.855 3.758 10 5 GHBEMO COc1ccccc1CC[N@@H+](C)[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000104710901 874662452 /nfs/dbraw/zinc/66/24/52/874662452.db2.gz XZZGJWJJQIZVCC-CYBMUJFWSA-N 1 1 391.855 3.758 10 5 GHBEMO C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000588612655 834877517 /nfs/dbraw/zinc/87/75/17/834877517.db2.gz OUFVWROBFGLCDX-QUHSPFQSSA-N 1 1 379.460 3.636 10 5 GHBEMO Cc1c(NC(=O)CC[N@H+]2CCC[C@@H]2c2ccc3c(c2)OCO3)cccc1[N+](=O)[O-] ZINC000102929088 838270123 /nfs/dbraw/zinc/27/01/23/838270123.db2.gz XAUPTBAGSXMHIJ-GOSISDBHSA-N 1 1 397.431 3.798 10 5 GHBEMO CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(Cc2[nH+]ccn2C)CC1 ZINC000161841213 861263754 /nfs/dbraw/zinc/26/37/54/861263754.db2.gz OJGABDVDPUHAFY-UHFFFAOYSA-N 1 1 388.493 3.535 10 5 GHBEMO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000246350169 857354232 /nfs/dbraw/zinc/35/42/32/857354232.db2.gz PDEHRWQAZMYBPE-CRAIPNDOSA-N 1 1 397.479 3.639 10 5 GHBEMO C[N@H+]1CCC[C@@H](CNCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[C@H]1c1cccs1 ZINC000248763232 865930582 /nfs/dbraw/zinc/93/05/82/865930582.db2.gz DXYWCYANLKUYLB-KSSFIOAISA-N 1 1 390.465 3.737 10 5 GHBEMO O=[N+]([O-])c1ccc(C[N@@H+]2CCSC3(CCOCC3)C2)c(C(F)(F)F)c1 ZINC000186827437 876396907 /nfs/dbraw/zinc/39/69/07/876396907.db2.gz BKFJQCLWUZZSMS-UHFFFAOYSA-N 1 1 376.400 3.712 10 5 GHBEMO O=[N+]([O-])c1ccc(C[N@H+]2CCSC3(CCOCC3)C2)c(C(F)(F)F)c1 ZINC000186827437 876396919 /nfs/dbraw/zinc/39/69/19/876396919.db2.gz BKFJQCLWUZZSMS-UHFFFAOYSA-N 1 1 376.400 3.712 10 5 GHBEMO CN(c1cccnn1)C1CC[NH+](Cc2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000159894626 863130998 /nfs/dbraw/zinc/13/09/98/863130998.db2.gz LFISJHZWRHMNCL-UHFFFAOYSA-N 1 1 395.385 3.504 10 5 GHBEMO O=C(Nc1ccccc1C[NH+]1CCSCC1)c1c[nH]c2ccc([N+](=O)[O-])cc21 ZINC000102638669 898020456 /nfs/dbraw/zinc/02/04/56/898020456.db2.gz POBCPDGTBSKPNO-UHFFFAOYSA-N 1 1 396.472 3.877 10 5 GHBEMO CCc1[nH+]ccn1[C@H]1CCCN(C(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000176725392 905921215 /nfs/dbraw/zinc/92/12/15/905921215.db2.gz DIZIHYKNONJHCC-RDJZCZTQSA-N 1 1 385.468 3.770 10 5 GHBEMO COc1ccccc1CC[N@@H+](C)[C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000104710367 838901323 /nfs/dbraw/zinc/90/13/23/838901323.db2.gz JVUAMZYVSVCALV-AWEZNQCLSA-N 1 1 382.420 3.889 10 5 GHBEMO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000127884210 847628892 /nfs/dbraw/zinc/62/88/92/847628892.db2.gz PDEHRWQAZMYBPE-MAUKXSAKSA-N 1 1 397.479 3.639 10 5 GHBEMO Cn1ncc2c1CCC[C@H]2[N@@H+](C)CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000135576272 848155515 /nfs/dbraw/zinc/15/55/15/848155515.db2.gz ARXMTWWEGKHRBM-QGZVFWFLSA-N 1 1 381.436 3.535 10 5 GHBEMO Cc1cccc(N2CCC(NC(=O)N[C@H](C)c3ccc(C)c([N+](=O)[O-])c3)CC2)[nH+]1 ZINC000176243831 844922144 /nfs/dbraw/zinc/92/21/44/844922144.db2.gz IQUAMNLJVRIOLW-MRXNPFEDSA-N 1 1 397.479 3.636 10 5 GHBEMO Cc1cccc(N2CCC(NC(=O)N[C@@H](C)c3ccc(C)c([N+](=O)[O-])c3)CC2)[nH+]1 ZINC000176243846 844922158 /nfs/dbraw/zinc/92/21/58/844922158.db2.gz IQUAMNLJVRIOLW-INIZCTEOSA-N 1 1 397.479 3.636 10 5 GHBEMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@@H]1c1ccc2c(c1)OCO2 ZINC000102929079 838270388 /nfs/dbraw/zinc/27/03/88/838270388.db2.gz ASKOXKAMYCEXLQ-GOSISDBHSA-N 1 1 397.431 3.798 10 5 GHBEMO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]Cc1ncc(-c2ccccc2)cn1 ZINC000186050239 864207820 /nfs/dbraw/zinc/20/78/20/864207820.db2.gz SVNCKVFJQCEIIX-HNNXBMFYSA-N 1 1 391.431 3.559 10 5 GHBEMO O=C1CC[C@H]2C[N@H+](Cc3ccc([N+](=O)[O-])cc3C(F)(F)F)CC[C@H]2N1C1CC1 ZINC000245808422 857177959 /nfs/dbraw/zinc/17/79/59/857177959.db2.gz QKGGMNAPGRJYPG-SUMWQHHRSA-N 1 1 397.397 3.589 10 5 GHBEMO O=C1CC[C@H]2C[N@@H+](Cc3ccc([N+](=O)[O-])cc3C(F)(F)F)CC[C@H]2N1C1CC1 ZINC000245808422 857177961 /nfs/dbraw/zinc/17/79/61/857177961.db2.gz QKGGMNAPGRJYPG-SUMWQHHRSA-N 1 1 397.397 3.589 10 5 GHBEMO CC(=O)N1CC[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)c2ccc(F)cc2C1 ZINC000185363591 859957207 /nfs/dbraw/zinc/95/72/07/859957207.db2.gz NZIMXVJSGUTCBY-LJQANCHMSA-N 1 1 391.830 3.970 10 5 GHBEMO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]Cc1ncc(-c2ccccc2)cn1 ZINC000186050256 864208418 /nfs/dbraw/zinc/20/84/18/864208418.db2.gz SVNCKVFJQCEIIX-OAHLLOKOSA-N 1 1 391.431 3.559 10 5 GHBEMO O=C(NC[C@@H]1CCC[N@@H+](Cc2csc([N+](=O)[O-])c2)C1)Nc1cccc(F)c1 ZINC000104060934 838612568 /nfs/dbraw/zinc/61/25/68/838612568.db2.gz XGSNJZCAMKIDED-ZDUSSCGKSA-N 1 1 392.456 3.829 10 5 GHBEMO O=C(NC[C@@H]1CCC[N@H+](Cc2csc([N+](=O)[O-])c2)C1)Nc1cccc(F)c1 ZINC000104060934 838612572 /nfs/dbraw/zinc/61/25/72/838612572.db2.gz XGSNJZCAMKIDED-ZDUSSCGKSA-N 1 1 392.456 3.829 10 5 GHBEMO CCn1cnnc1[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC000158000121 843004247 /nfs/dbraw/zinc/00/42/47/843004247.db2.gz DQVLDZOPEKMDAC-CYBMUJFWSA-N 1 1 383.374 3.605 10 5 GHBEMO CCn1cnnc1[C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC000158000121 843004257 /nfs/dbraw/zinc/00/42/57/843004257.db2.gz DQVLDZOPEKMDAC-CYBMUJFWSA-N 1 1 383.374 3.605 10 5 GHBEMO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N[C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000248617614 863037048 /nfs/dbraw/zinc/03/70/48/863037048.db2.gz BBKLVPOIYMTZAU-AEFFLSMTSA-N 1 1 397.479 3.639 10 5 GHBEMO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC1CCN(c2cccc(C)[nH+]2)CC1 ZINC000185374872 860009780 /nfs/dbraw/zinc/00/97/80/860009780.db2.gz OAMBFFHUZSHPJK-GOSISDBHSA-N 1 1 396.491 3.652 10 5 GHBEMO CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000176725412 905920942 /nfs/dbraw/zinc/92/09/42/905920942.db2.gz DIZIHYKNONJHCC-NVXWUHKLSA-N 1 1 385.468 3.770 10 5 GHBEMO Cc1ccc([C@H]2C[N@H+](CCc3ncc(-c4cccc([N+](=O)[O-])c4)o3)CCO2)o1 ZINC000158998715 838077479 /nfs/dbraw/zinc/07/74/79/838077479.db2.gz YHGNXSFUQNAAAG-LJQANCHMSA-N 1 1 383.404 3.767 10 5 GHBEMO Cc1ccc([C@H]2C[N@@H+](CCc3ncc(-c4cccc([N+](=O)[O-])c4)o3)CCO2)o1 ZINC000158998715 838077492 /nfs/dbraw/zinc/07/74/92/838077492.db2.gz YHGNXSFUQNAAAG-LJQANCHMSA-N 1 1 383.404 3.767 10 5 GHBEMO O=C(C1CC[NH+](Cc2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1)N1CCCCC1 ZINC000178681357 848478299 /nfs/dbraw/zinc/47/82/99/848478299.db2.gz JBLQBAYJPQEIQV-UHFFFAOYSA-N 1 1 399.413 3.838 10 5 GHBEMO CCOc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(C(=O)N2CCCCCC2)CC1 ZINC000175052400 857426374 /nfs/dbraw/zinc/42/63/74/857426374.db2.gz WSESSHPNBZVZIH-UHFFFAOYSA-N 1 1 389.496 3.608 10 5 GHBEMO O=C(CC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1)N1CCCC1 ZINC000156120997 860688214 /nfs/dbraw/zinc/68/82/14/860688214.db2.gz BMERGBIXRYCUIZ-UHFFFAOYSA-N 1 1 399.413 3.838 10 5 GHBEMO C[C@H]1C[N@H+](C2CCN(C(=O)c3cc4ccccc4c4cccnc34)CC2)CCO1 ZINC000068095429 891168966 /nfs/dbraw/zinc/16/89/66/891168966.db2.gz SELYHHOOOYPJAU-KRWDZBQOSA-N 1 1 389.499 3.713 10 5 GHBEMO Cc1ccc([C@@H]2C[N@H+](CCc3ncc(-c4cccc([N+](=O)[O-])c4)o3)CCO2)o1 ZINC000158998601 838069976 /nfs/dbraw/zinc/06/99/76/838069976.db2.gz YHGNXSFUQNAAAG-IBGZPJMESA-N 1 1 383.404 3.767 10 5 GHBEMO Cc1ccc([C@@H]2C[N@@H+](CCc3ncc(-c4cccc([N+](=O)[O-])c4)o3)CCO2)o1 ZINC000158998601 838069993 /nfs/dbraw/zinc/06/99/93/838069993.db2.gz YHGNXSFUQNAAAG-IBGZPJMESA-N 1 1 383.404 3.767 10 5 GHBEMO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000094153143 860421746 /nfs/dbraw/zinc/42/17/46/860421746.db2.gz DFXHNFPAZXQVOL-QFBILLFUSA-N 1 1 396.491 3.555 10 5 GHBEMO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N[C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000249045355 885945911 /nfs/dbraw/zinc/94/59/11/885945911.db2.gz HHLQWXABFWQVTD-AEFFLSMTSA-N 1 1 397.479 3.639 10 5 GHBEMO O=C(NC[C@H]1CCC[N@@H+](Cc2csc([N+](=O)[O-])c2)C1)Nc1cccc(F)c1 ZINC000104060940 838612454 /nfs/dbraw/zinc/61/24/54/838612454.db2.gz XGSNJZCAMKIDED-CYBMUJFWSA-N 1 1 392.456 3.829 10 5 GHBEMO O=C(NC[C@H]1CCC[N@H+](Cc2csc([N+](=O)[O-])c2)C1)Nc1cccc(F)c1 ZINC000104060940 838612459 /nfs/dbraw/zinc/61/24/59/838612459.db2.gz XGSNJZCAMKIDED-CYBMUJFWSA-N 1 1 392.456 3.829 10 5 GHBEMO Cc1ccc(N2CCC(NC(=O)N[C@H](C)c3ccc(C)c([N+](=O)[O-])c3)CC2)[nH+]c1 ZINC000176313434 846993483 /nfs/dbraw/zinc/99/34/83/846993483.db2.gz NYDAUDSKWYOJGB-MRXNPFEDSA-N 1 1 397.479 3.636 10 5 GHBEMO CC(=O)N1CC[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)c2ccc(F)cc2C1 ZINC000185363578 859957297 /nfs/dbraw/zinc/95/72/97/859957297.db2.gz NZIMXVJSGUTCBY-IBGZPJMESA-N 1 1 391.830 3.970 10 5 GHBEMO COc1ccccc1CC[N@H+](C)[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000104710505 838916554 /nfs/dbraw/zinc/91/65/54/838916554.db2.gz VAUDBALJXPZIFX-ZDUSSCGKSA-N 1 1 391.855 3.758 10 5 GHBEMO COc1ccccc1CC[N@@H+](C)[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000104710505 838916560 /nfs/dbraw/zinc/91/65/60/838916560.db2.gz VAUDBALJXPZIFX-ZDUSSCGKSA-N 1 1 391.855 3.758 10 5 GHBEMO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N[C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000248617927 863036537 /nfs/dbraw/zinc/03/65/37/863036537.db2.gz BBKLVPOIYMTZAU-SJLPKXTDSA-N 1 1 397.479 3.639 10 5 GHBEMO C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000588612654 834877310 /nfs/dbraw/zinc/87/73/10/834877310.db2.gz OUFVWROBFGLCDX-MBGNVJMVSA-N 1 1 379.460 3.636 10 5 GHBEMO Cc1ccc(N2CCC(NC(=O)c3c(C)cc(C)c([N+](=O)[O-])c3C)CC2)[nH+]c1 ZINC000091735534 846524708 /nfs/dbraw/zinc/52/47/08/846524708.db2.gz NAKHJNIKWGWFNL-UHFFFAOYSA-N 1 1 382.464 3.622 10 5 GHBEMO C[N@H+]1CCC[C@H](CNCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[C@H]1c1cccs1 ZINC000248763226 865930642 /nfs/dbraw/zinc/93/06/42/865930642.db2.gz DXYWCYANLKUYLB-KDOFPFPSSA-N 1 1 390.465 3.737 10 5 GHBEMO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H](c3nnc4n3CCC4)C2)c(C(F)(F)F)c1 ZINC000160045374 863273443 /nfs/dbraw/zinc/27/34/43/863273443.db2.gz WQVJQNMKJJNEJL-CYBMUJFWSA-N 1 1 395.385 3.531 10 5 GHBEMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@H](c3nnc4n3CCC4)C2)c(C(F)(F)F)c1 ZINC000160045374 863273458 /nfs/dbraw/zinc/27/34/58/863273458.db2.gz WQVJQNMKJJNEJL-CYBMUJFWSA-N 1 1 395.385 3.531 10 5 GHBEMO C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(N2CCC[N@H+](C)CC2)cc1 ZINC000588437178 842595001 /nfs/dbraw/zinc/59/50/01/842595001.db2.gz GOXSDOJRDLIBFS-MSUUIHNZSA-N 1 1 394.475 3.779 10 5 GHBEMO Cc1ccc(N2CCC(NC(=O)Nc3ccc([N+](=O)[O-])cc3Cl)CC2)[nH+]c1 ZINC000174466261 857317881 /nfs/dbraw/zinc/31/78/81/857317881.db2.gz VELUMYPTXPMGCJ-UHFFFAOYSA-N 1 1 389.843 3.742 10 5 GHBEMO C[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 ZINC000275576888 837328112 /nfs/dbraw/zinc/32/81/12/837328112.db2.gz PXCVCFXQKGKRKP-WFASDCNBSA-N 1 1 397.425 3.681 10 5 GHBEMO O=C(C1CC[NH+](Cc2ccc(Cl)cc2[N+](=O)[O-])CC1)N1CCCCCC1 ZINC000172018064 856322145 /nfs/dbraw/zinc/32/21/45/856322145.db2.gz OTTBJMGUHANMOM-UHFFFAOYSA-N 1 1 379.888 3.863 10 5 GHBEMO C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 ZINC000275576875 837328197 /nfs/dbraw/zinc/32/81/97/837328197.db2.gz PXCVCFXQKGKRKP-DOMZBBRYSA-N 1 1 397.425 3.681 10 5 GHBEMO Cn1cc[nH+]c1CC1CCN(C(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)CC1 ZINC000162375887 861658405 /nfs/dbraw/zinc/65/84/05/861658405.db2.gz JLSUQKJTMKQLCJ-UHFFFAOYSA-N 1 1 384.480 3.721 10 5 GHBEMO Cn1cc(C[N@H+]2CCC[C@H](c3nccs3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000092788473 860128735 /nfs/dbraw/zinc/12/87/35/860128735.db2.gz FTQSAXPMKOGTSH-HNNXBMFYSA-N 1 1 383.477 3.831 10 5 GHBEMO Cc1sc(C(=O)N2CCC[N@@H+](CCCc3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000101531594 837959492 /nfs/dbraw/zinc/95/94/92/837959492.db2.gz CAFRPSWTEINHBT-UHFFFAOYSA-N 1 1 387.505 3.745 10 5 GHBEMO C[N@H+]1CCC[C@@H](CNCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[C@@H]1c1cccs1 ZINC000194475125 888368087 /nfs/dbraw/zinc/36/80/87/888368087.db2.gz DXYWCYANLKUYLB-KBXCAEBGSA-N 1 1 390.465 3.737 10 5 GHBEMO O=[N+]([O-])c1cc(C[NH+]2CCC(Nc3ccccc3F)CC2)c2c(c1)COCO2 ZINC000129055759 844315323 /nfs/dbraw/zinc/31/53/23/844315323.db2.gz RGAKBFNNGVNRJT-UHFFFAOYSA-N 1 1 387.411 3.677 10 5 GHBEMO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC1CCN(c2ccc(C)c[nH+]2)CC1 ZINC000185406312 860092797 /nfs/dbraw/zinc/09/27/97/860092797.db2.gz UHJJWXWWNUTXQR-GOSISDBHSA-N 1 1 396.491 3.652 10 5 GHBEMO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N[C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000191383559 884904511 /nfs/dbraw/zinc/90/45/11/884904511.db2.gz HHLQWXABFWQVTD-FUHWJXTLSA-N 1 1 397.479 3.639 10 5 GHBEMO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N[C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000120117841 837412258 /nfs/dbraw/zinc/41/22/58/837412258.db2.gz BBKLVPOIYMTZAU-FUHWJXTLSA-N 1 1 397.479 3.639 10 5 GHBEMO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H](c3nnc4n3CCC4)C2)c(C(F)(F)F)c1 ZINC000160045243 863273254 /nfs/dbraw/zinc/27/32/54/863273254.db2.gz WQVJQNMKJJNEJL-ZDUSSCGKSA-N 1 1 395.385 3.531 10 5 GHBEMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@H](c3nnc4n3CCC4)C2)c(C(F)(F)F)c1 ZINC000160045243 863273270 /nfs/dbraw/zinc/27/32/70/863273270.db2.gz WQVJQNMKJJNEJL-ZDUSSCGKSA-N 1 1 395.385 3.531 10 5 GHBEMO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000246350189 857353965 /nfs/dbraw/zinc/35/39/65/857353965.db2.gz PDEHRWQAZMYBPE-QAPCUYQASA-N 1 1 397.479 3.639 10 5 GHBEMO Cc1cccc(N2CCC(NC(=O)c3c(C)cc(C)c([N+](=O)[O-])c3C)CC2)[nH+]1 ZINC000094154094 882678046 /nfs/dbraw/zinc/67/80/46/882678046.db2.gz BCVNRRIDBQWZED-UHFFFAOYSA-N 1 1 382.464 3.622 10 5 GHBEMO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N[C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000191383574 884903556 /nfs/dbraw/zinc/90/35/56/884903556.db2.gz HHLQWXABFWQVTD-WMZOPIPTSA-N 1 1 397.479 3.639 10 5 GHBEMO CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000176725374 905920511 /nfs/dbraw/zinc/92/05/11/905920511.db2.gz DIZIHYKNONJHCC-DOTOQJQBSA-N 1 1 385.468 3.770 10 5 GHBEMO O=[N+]([O-])c1ccc(C[NH+]2CCC(OC[C@H]3CCCO3)CC2)c(C(F)(F)F)c1 ZINC000156694312 834505425 /nfs/dbraw/zinc/50/54/25/834505425.db2.gz QBTPLMXVDYKZEA-MRXNPFEDSA-N 1 1 388.386 3.774 10 5 GHBEMO O=[N+]([O-])c1cccc(-c2cnc(CC[N@@H+]3CCC[C@H]3C[C@@H](O)c3ccco3)o2)c1 ZINC000246568846 857407796 /nfs/dbraw/zinc/40/77/96/857407796.db2.gz KZYROFUURQGPKD-FUHWJXTLSA-N 1 1 397.431 3.973 10 5 GHBEMO COc1ccccc1CC[N@H+](C)[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000104710507 838915862 /nfs/dbraw/zinc/91/58/62/838915862.db2.gz VAUDBALJXPZIFX-CYBMUJFWSA-N 1 1 391.855 3.758 10 5 GHBEMO COc1ccccc1CC[N@@H+](C)[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000104710507 838915871 /nfs/dbraw/zinc/91/58/71/838915871.db2.gz VAUDBALJXPZIFX-CYBMUJFWSA-N 1 1 391.855 3.758 10 5 GHBEMO C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)NCc1ccc(-n2cc[nH+]c2C)c(F)c1 ZINC000588437436 842719109 /nfs/dbraw/zinc/71/91/09/842719109.db2.gz JYKUVFJQKWLILF-KAMYIIQDSA-N 1 1 394.406 3.948 10 5 GHBEMO Cc1cccc(N2CCC(NC(=O)Nc3ccc([N+](=O)[O-])cc3Cl)CC2)[nH+]1 ZINC000116930234 859225261 /nfs/dbraw/zinc/22/52/61/859225261.db2.gz FJRSXMOECCZJPG-UHFFFAOYSA-N 1 1 389.843 3.742 10 5 GHBEMO Cc1nc(C)n(C[C@@H]2CCC[N@H+](Cc3ccc([N+](=O)[O-])cc3C(F)(F)F)C2)n1 ZINC000159976864 863213626 /nfs/dbraw/zinc/21/36/26/863213626.db2.gz FEVYEVQSJOCDEY-CQSZACIVSA-N 1 1 397.401 3.734 10 5 GHBEMO Cc1nc(C)n(C[C@@H]2CCC[N@@H+](Cc3ccc([N+](=O)[O-])cc3C(F)(F)F)C2)n1 ZINC000159976864 863213637 /nfs/dbraw/zinc/21/36/37/863213637.db2.gz FEVYEVQSJOCDEY-CQSZACIVSA-N 1 1 397.401 3.734 10 5 GHBEMO CCn1cnnc1[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC000158000267 843004172 /nfs/dbraw/zinc/00/41/72/843004172.db2.gz DQVLDZOPEKMDAC-ZDUSSCGKSA-N 1 1 383.374 3.605 10 5 GHBEMO CCn1cnnc1[C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC000158000267 843004178 /nfs/dbraw/zinc/00/41/78/843004178.db2.gz DQVLDZOPEKMDAC-ZDUSSCGKSA-N 1 1 383.374 3.605 10 5 GHBEMO Cn1cc(C[N@H+]2CCC[C@@H](c3nccs3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000092788474 860128804 /nfs/dbraw/zinc/12/88/04/860128804.db2.gz FTQSAXPMKOGTSH-OAHLLOKOSA-N 1 1 383.477 3.831 10 5 GHBEMO Cc1nc(C)n(C[C@H]2CCC[N@H+](Cc3ccc([N+](=O)[O-])cc3C(F)(F)F)C2)n1 ZINC000159976991 863226317 /nfs/dbraw/zinc/22/63/17/863226317.db2.gz FEVYEVQSJOCDEY-AWEZNQCLSA-N 1 1 397.401 3.734 10 5 GHBEMO Cc1nc(C)n(C[C@H]2CCC[N@@H+](Cc3ccc([N+](=O)[O-])cc3C(F)(F)F)C2)n1 ZINC000159976991 863226322 /nfs/dbraw/zinc/22/63/22/863226322.db2.gz FEVYEVQSJOCDEY-AWEZNQCLSA-N 1 1 397.401 3.734 10 5 GHBEMO CCc1[nH+]ccn1[C@H]1CCCN(C(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000176725425 905921172 /nfs/dbraw/zinc/92/11/72/905921172.db2.gz DIZIHYKNONJHCC-WBVHZDCISA-N 1 1 385.468 3.770 10 5 GHBEMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@H]1c1csc(C)n1 ZINC000189751805 908372238 /nfs/dbraw/zinc/37/22/38/908372238.db2.gz ZUODLVUVYSGRKU-INIZCTEOSA-N 1 1 390.465 3.534 10 5 GHBEMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@H]1c1csc(C)n1 ZINC000189751805 908372257 /nfs/dbraw/zinc/37/22/57/908372257.db2.gz ZUODLVUVYSGRKU-INIZCTEOSA-N 1 1 390.465 3.534 10 5 GHBEMO CCn1cnnc1C1CC[NH+](Cc2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000160018493 863246995 /nfs/dbraw/zinc/24/69/95/863246995.db2.gz PFUYVILRSQJUNC-UHFFFAOYSA-N 1 1 383.374 3.605 10 5 GHBEMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@H]1c1ccc2c(c1)OCO2 ZINC000102929076 838269892 /nfs/dbraw/zinc/26/98/92/838269892.db2.gz UPIMPIIDKQAIRI-SFHVURJKSA-N 1 1 397.431 3.798 10 5 GHBEMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@H]1c1ccc2c(c1)OCO2 ZINC000102929081 838269980 /nfs/dbraw/zinc/26/99/80/838269980.db2.gz ASKOXKAMYCEXLQ-SFHVURJKSA-N 1 1 397.431 3.798 10 5 GHBEMO O=C1CC[C@@H]2C[N@H+](Cc3ccc([N+](=O)[O-])cc3C(F)(F)F)CC[C@@H]2N1C1CC1 ZINC000120187654 839732795 /nfs/dbraw/zinc/73/27/95/839732795.db2.gz QKGGMNAPGRJYPG-DYVFJYSZSA-N 1 1 397.397 3.589 10 5 GHBEMO O=C1CC[C@@H]2C[N@@H+](Cc3ccc([N+](=O)[O-])cc3C(F)(F)F)CC[C@@H]2N1C1CC1 ZINC000120187654 839732802 /nfs/dbraw/zinc/73/28/02/839732802.db2.gz QKGGMNAPGRJYPG-DYVFJYSZSA-N 1 1 397.397 3.589 10 5 GHBEMO O=C(C1CC[NH+](Cc2ccc(Cl)c([N+](=O)[O-])c2)CC1)N1CCCCCC1 ZINC000177989659 841225168 /nfs/dbraw/zinc/22/51/68/841225168.db2.gz OSYFHKPUFYIALN-UHFFFAOYSA-N 1 1 379.888 3.863 10 5 GHBEMO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000094153144 860421755 /nfs/dbraw/zinc/42/17/55/860421755.db2.gz DFXHNFPAZXQVOL-LPHOPBHVSA-N 1 1 396.491 3.555 10 5 GHBEMO Cc1ccc(N2CCC(NC(=O)Nc3c(C)ccc([N+](=O)[O-])c3C)CC2)[nH+]c1 ZINC000127566925 887077438 /nfs/dbraw/zinc/07/74/38/887077438.db2.gz DPSHTFYURFHJNL-UHFFFAOYSA-N 1 1 383.452 3.706 10 5 GHBEMO O=[N+]([O-])c1ccc(C[NH2+]Cc2ccc(N3CCCCCC3)nc2)c([N+](=O)[O-])c1 ZINC000194219184 888121606 /nfs/dbraw/zinc/12/16/06/888121606.db2.gz PNWABXSGCVDEBZ-UHFFFAOYSA-N 1 1 385.424 3.568 10 5 GHBEMO O=[N+]([O-])c1ccc(C[N@H+]2C[C@@H](c3ccsc3)[C@H](CO)C2)c(C(F)(F)F)c1 ZINC000188114813 835374931 /nfs/dbraw/zinc/37/49/31/835374931.db2.gz XNFVIJTWYBJCBZ-ZFWWWQNUSA-N 1 1 386.395 3.883 10 5 GHBEMO Cc1ccc(N2CCC(NC(=O)N[C@@H](C)c3ccc(C)c([N+](=O)[O-])c3)CC2)[nH+]c1 ZINC000176313421 846993057 /nfs/dbraw/zinc/99/30/57/846993057.db2.gz NYDAUDSKWYOJGB-INIZCTEOSA-N 1 1 397.479 3.636 10 5 GHBEMO O=[N+]([O-])c1cccc(-c2cnc(CC[N@@H+]3CCC[C@@H]3C[C@@H](O)c3ccco3)o2)c1 ZINC000246568853 857408200 /nfs/dbraw/zinc/40/82/00/857408200.db2.gz KZYROFUURQGPKD-SJLPKXTDSA-N 1 1 397.431 3.973 10 5 GHBEMO COc1ccc(OC)c([C@@H](C)[NH2+]CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000102695715 838185678 /nfs/dbraw/zinc/18/56/78/838185678.db2.gz OCGAJRRKSNQCEU-LLVKDONJSA-N 1 1 393.827 3.555 10 5 GHBEMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@@H]1c1ccc2c(c1)OCO2 ZINC000102929074 838270322 /nfs/dbraw/zinc/27/03/22/838270322.db2.gz UPIMPIIDKQAIRI-GOSISDBHSA-N 1 1 397.431 3.798 10 5 GHBEMO C[C@@H]1C[N@H+](C2CCN(C(=O)c3cc4ccccc4c4cccnc34)CC2)CCO1 ZINC000068095428 891168747 /nfs/dbraw/zinc/16/87/47/891168747.db2.gz SELYHHOOOYPJAU-QGZVFWFLSA-N 1 1 389.499 3.713 10 5 GHBEMO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H](c3nncn3C3CC3)C2)c(C(F)(F)F)c1 ZINC000180884340 837665447 /nfs/dbraw/zinc/66/54/47/837665447.db2.gz LCJHUSLDLULXPP-ZDUSSCGKSA-N 1 1 395.385 3.920 10 5 GHBEMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@H](c3nncn3C3CC3)C2)c(C(F)(F)F)c1 ZINC000180884340 837665454 /nfs/dbraw/zinc/66/54/54/837665454.db2.gz LCJHUSLDLULXPP-ZDUSSCGKSA-N 1 1 395.385 3.920 10 5 GHBEMO C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000588445380 842811236 /nfs/dbraw/zinc/81/12/36/842811236.db2.gz KJFPNMNZECQHRK-WOBAJENOSA-N 1 1 393.487 3.679 10 5 GHBEMO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC1CCN(c2cccc(C)[nH+]2)CC1 ZINC000185374855 860009201 /nfs/dbraw/zinc/00/92/01/860009201.db2.gz OAMBFFHUZSHPJK-SFHVURJKSA-N 1 1 396.491 3.652 10 5 GHBEMO C[N@@H+]1CC=C(c2cn(S(=O)(=O)c3ccccc3)c3ccc([N+](=O)[O-])cc23)CC1 ZINC000071624948 212134436 /nfs/dbraw/zinc/13/44/36/212134436.db2.gz QTRLJHGHYHUKFW-UHFFFAOYSA-N 1 1 397.456 3.505 10 5 GHBEMO COc1ccc(OC)c([C@H](C)[NH2+]CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000102695713 838185410 /nfs/dbraw/zinc/18/54/10/838185410.db2.gz OCGAJRRKSNQCEU-NSHDSACASA-N 1 1 393.827 3.555 10 5 GHBEMO O=C1CC[C@@H]2C[N@H+](Cc3ccc([N+](=O)[O-])cc3C(F)(F)F)CC[C@H]2N1C1CC1 ZINC000120187433 839737816 /nfs/dbraw/zinc/73/78/16/839737816.db2.gz QKGGMNAPGRJYPG-CXAGYDPISA-N 1 1 397.397 3.589 10 5 GHBEMO O=C1CC[C@@H]2C[N@@H+](Cc3ccc([N+](=O)[O-])cc3C(F)(F)F)CC[C@H]2N1C1CC1 ZINC000120187433 839737819 /nfs/dbraw/zinc/73/78/19/839737819.db2.gz QKGGMNAPGRJYPG-CXAGYDPISA-N 1 1 397.397 3.589 10 5 GHBEMO C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000588439245 842737232 /nfs/dbraw/zinc/73/72/32/842737232.db2.gz NACQZFVRXJMONZ-JOIYNNFJSA-N 1 1 393.487 3.979 10 5 GHBEMO O=C1CC[C@H]2C[N@H+](Cc3ccc([N+](=O)[O-])cc3C(F)(F)F)CC[C@@H]2N1C1CC1 ZINC000245808418 857178360 /nfs/dbraw/zinc/17/83/60/857178360.db2.gz QKGGMNAPGRJYPG-GUYCJALGSA-N 1 1 397.397 3.589 10 5 GHBEMO O=C1CC[C@H]2C[N@@H+](Cc3ccc([N+](=O)[O-])cc3C(F)(F)F)CC[C@@H]2N1C1CC1 ZINC000245808418 857178365 /nfs/dbraw/zinc/17/83/65/857178365.db2.gz QKGGMNAPGRJYPG-GUYCJALGSA-N 1 1 397.397 3.589 10 5 GHBEMO O=[N+]([O-])c1cccc(-c2cnc(CC[N@@H+]3CCC[C@H]3C[C@H](O)c3ccco3)o2)c1 ZINC000151896815 865981539 /nfs/dbraw/zinc/98/15/39/865981539.db2.gz KZYROFUURQGPKD-WMZOPIPTSA-N 1 1 397.431 3.973 10 5 GHBEMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 ZINC000275576880 837328714 /nfs/dbraw/zinc/32/87/14/837328714.db2.gz PXCVCFXQKGKRKP-IUODEOHRSA-N 1 1 397.425 3.681 10 5 GHBEMO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N[C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000249045359 885920756 /nfs/dbraw/zinc/92/07/56/885920756.db2.gz HHLQWXABFWQVTD-SJLPKXTDSA-N 1 1 397.479 3.639 10 5 GHBEMO Cc1cccc(N2CCC(NC(=O)NC(C)(C)c3ccc([N+](=O)[O-])cc3)CC2)[nH+]1 ZINC000175547293 836659764 /nfs/dbraw/zinc/65/97/64/836659764.db2.gz RJSZJOOXKQDLSP-UHFFFAOYSA-N 1 1 397.479 3.502 10 5 GHBEMO O=C1CCCCN1C1CC[NH+](Cc2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000157118337 841139003 /nfs/dbraw/zinc/13/90/03/841139003.db2.gz LTOZHVQONXNMJE-UHFFFAOYSA-N 1 1 385.386 3.591 10 5 GHBEMO O=[N+]([O-])c1cccc(-c2cnc(CC[N@@H+]3CCC[C@@H]3C[C@H](O)c3ccco3)o2)c1 ZINC000151896728 865981600 /nfs/dbraw/zinc/98/16/00/865981600.db2.gz KZYROFUURQGPKD-AEFFLSMTSA-N 1 1 397.431 3.973 10 5 GHBEMO Cc1ccc(N2CCC(NC(=O)NC(C)(C)c3ccc([N+](=O)[O-])cc3)CC2)[nH+]c1 ZINC000175575879 836714390 /nfs/dbraw/zinc/71/43/90/836714390.db2.gz WLYGDHRHCLRLJQ-UHFFFAOYSA-N 1 1 397.479 3.502 10 5 GHBEMO C[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 ZINC000275576884 837328516 /nfs/dbraw/zinc/32/85/16/837328516.db2.gz PXCVCFXQKGKRKP-SWLSCSKDSA-N 1 1 397.425 3.681 10 5 GHBEMO COc1ccccc1CC[N@H+](C)[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000104710900 874661897 /nfs/dbraw/zinc/66/18/97/874661897.db2.gz XZZGJWJJQIZVCC-ZDUSSCGKSA-N 1 1 391.855 3.758 10 5 GHBEMO COc1ccccc1CC[N@@H+](C)[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000104710900 874661904 /nfs/dbraw/zinc/66/19/04/874661904.db2.gz XZZGJWJJQIZVCC-ZDUSSCGKSA-N 1 1 391.855 3.758 10 5 GHBEMO COc1c(C)cc(C[N@H+](C)Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)cc1C ZINC000101539176 872076052 /nfs/dbraw/zinc/07/60/52/872076052.db2.gz LLGNQMKJSUCWKH-UHFFFAOYSA-N 1 1 381.436 3.568 10 5 GHBEMO COc1c(C)cc(C[N@@H+](C)Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)cc1C ZINC000101539176 872076070 /nfs/dbraw/zinc/07/60/70/872076070.db2.gz LLGNQMKJSUCWKH-UHFFFAOYSA-N 1 1 381.436 3.568 10 5 GHBEMO Cn1nccc1C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000102421705 838125916 /nfs/dbraw/zinc/12/59/16/838125916.db2.gz XSZZPXXRKYNPKF-UHFFFAOYSA-N 1 1 391.225 3.641 10 5 GHBEMO Cc1nc([C@@H]2CCC[N@@H+]2CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)cs1 ZINC000189652988 908361068 /nfs/dbraw/zinc/36/10/68/908361068.db2.gz PTFUXYSXLFMRJI-INIZCTEOSA-N 1 1 378.429 3.665 10 5 GHBEMO Cc1nc([C@@H]2CCC[N@H+]2CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)cs1 ZINC000189652988 908361082 /nfs/dbraw/zinc/36/10/82/908361082.db2.gz PTFUXYSXLFMRJI-INIZCTEOSA-N 1 1 378.429 3.665 10 5 GHBEMO