smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc(CCNC(=O)C2CCN(c3ccc(S(=O)(=O)N4CCOCC4)cc3[N+](=O)[O-])CC2)cc1 ZINC000106871893 1066229232 /nfs/dbraw/zinc/22/92/32/1066229232.db2.gz UCHXLNOJNGFKQD-UHFFFAOYSA-N 0 0 532.619 2.200 20 5 KEBDRN COc1ccccc1CNC(=O)C1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])CC1 ZINC000514291108 1066264740 /nfs/dbraw/zinc/26/47/40/1066264740.db2.gz BYFFDBFJLFICSA-UHFFFAOYSA-N 0 0 518.592 2.157 20 5 KEBDRN COc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(C)c(S(=O)(=O)N4CCCCC4)c3)CC2)cc1[N+](=O)[O-] ZINC000514291300 1066265158 /nfs/dbraw/zinc/26/51/58/1066265158.db2.gz DBAYRYWQGXSLNO-UHFFFAOYSA-N 0 0 566.658 2.233 20 5 KEBDRN CCN(CC)S(=O)(=O)c1ccc(N2CCN(C(=O)c3ccc(CS(C)(=O)=O)cc3)CC2)c([N+](=O)[O-])c1 ZINC000514291504 1066266911 /nfs/dbraw/zinc/26/69/11/1066266911.db2.gz FMIGGWWUBQSBAP-UHFFFAOYSA-N 0 0 538.648 2.132 20 5 KEBDRN CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)N2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)c1 ZINC000514291625 1066266420 /nfs/dbraw/zinc/26/64/20/1066266420.db2.gz GVYBCTYBAMAUIH-UHFFFAOYSA-N 0 0 545.540 2.155 20 5 KEBDRN CCN(CC)S(=O)(=O)c1ccc(N2CCN(C(=O)C3CCN(S(=O)(=O)c4ccccc4)CC3)CC2)c([N+](=O)[O-])c1 ZINC000514291648 1066266368 /nfs/dbraw/zinc/26/63/68/1066266368.db2.gz HOPHIXFSMYQQBZ-UHFFFAOYSA-N 0 0 593.728 2.375 20 5 KEBDRN CCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(NC(=O)CSc2ccc(C(N)=O)cc2[N+](=O)[O-])c1 ZINC000514291650 1066266443 /nfs/dbraw/zinc/26/64/43/1066266443.db2.gz HPOKEQQDYVOQBV-UHFFFAOYSA-N 0 0 551.647 2.292 20 5 KEBDRN O=C(C1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])CC1)N1CCc2ccccc2C1 ZINC000514291713 1066265884 /nfs/dbraw/zinc/26/58/84/1066265884.db2.gz FXSRGECIGPKMSO-UHFFFAOYSA-N 0 0 514.604 2.417 20 5 KEBDRN COc1ccc(NC(=O)C2CCN(c3ccc(S(=O)(=O)N4CCOCC4)cc3[N+](=O)[O-])CC2)cc1 ZINC000514292214 1066267483 /nfs/dbraw/zinc/26/74/83/1066267483.db2.gz INEBMFHCUHGZCQ-UHFFFAOYSA-N 0 0 504.565 2.479 20 5 KEBDRN COc1ccc(S(=O)(=O)N2CCN(C(=O)CNS(=O)(=O)c3cc(C(F)(F)F)ccc3Cl)CC2)cc1[N+](=O)[O-] ZINC000514292215 1066267386 /nfs/dbraw/zinc/26/73/86/1066267386.db2.gz INHFSLVRLIIHDG-UHFFFAOYSA-N 0 0 600.981 2.087 20 5 KEBDRN COc1ccc(S(=O)(=O)N2CCN(C(=O)c3nn(CC(C)C)c(=O)c4ccccc43)CC2)cc1[N+](=O)[O-] ZINC000514292251 1066267492 /nfs/dbraw/zinc/26/74/92/1066267492.db2.gz JLNJASQEJRQOCT-UHFFFAOYSA-N 0 0 529.575 2.116 20 5 KEBDRN CCN(CC)S(=O)(=O)c1ccc(OCC(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)c([N+](=O)[O-])c1 ZINC000514292883 1066232132 /nfs/dbraw/zinc/23/21/32/1066232132.db2.gz NJQGBLLYUBMXNP-UHFFFAOYSA-N 0 0 575.065 2.191 20 5 KEBDRN CCN(CC)S(=O)(=O)c1ccc(N2CCN(C(=O)COc3ccc(OC)cc3)CC2)c([N+](=O)[O-])c1 ZINC000514293201 1066231444 /nfs/dbraw/zinc/23/14/44/1066231444.db2.gz SFHBFTHFPLRGFM-UHFFFAOYSA-N 0 0 506.581 2.362 20 5 KEBDRN O=C(C1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])CC1)N1CCN(Cc2ccccc2)CC1 ZINC000514293357 1066235674 /nfs/dbraw/zinc/23/56/74/1066235674.db2.gz PRTHBAFLIQJBNU-UHFFFAOYSA-N 0 0 557.673 2.177 20 5 KEBDRN CCCCCN(C(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)c1c(N)n(CCCC)c(=O)[nH]c1=O ZINC000514293371 1066235647 /nfs/dbraw/zinc/23/56/47/1066235647.db2.gz UGGAHXZOKRLEAE-UHFFFAOYSA-N 0 0 500.512 2.059 20 5 KEBDRN NC(=O)c1ccc(SCC(=O)Nc2ccc(N3CCOCC3)cc2N2CCOCC2)c([N+](=O)[O-])c1 ZINC000514293405 1066235391 /nfs/dbraw/zinc/23/53/91/1066235391.db2.gz QKONOENTNRWCGZ-UHFFFAOYSA-N 0 0 501.565 2.098 20 5 KEBDRN CC(C)(CNC(=O)C1CCN(c2ccc(S(=O)(=O)N3CCCCC3)cc2[N+](=O)[O-])CC1)N1CCOCC1 ZINC000514293448 1066235622 /nfs/dbraw/zinc/23/56/22/1066235622.db2.gz QYACFZMUAYDAMA-UHFFFAOYSA-N 0 0 537.683 2.213 20 5 KEBDRN CCCN(CC(=O)Nc1ccccc1C)C(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-] ZINC000514293498 1066235487 /nfs/dbraw/zinc/23/54/87/1066235487.db2.gz SDQJFVVTKXFNKA-UHFFFAOYSA-N 0 0 534.591 2.180 20 5 KEBDRN COc1ccc(S(=O)(=O)N2CCN(C(=O)C3CCN(S(=O)(=O)c4ccc(C)c(C)c4)CC3)CC2)cc1[N+](=O)[O-] ZINC000514293612 1066234892 /nfs/dbraw/zinc/23/48/92/1066234892.db2.gz TZDSOYIJKCZVJE-UHFFFAOYSA-N 0 0 580.685 2.154 20 5 KEBDRN NC(=O)c1ccc(SCC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCCC2)c([N+](=O)[O-])c1 ZINC000514293690 1066234095 /nfs/dbraw/zinc/23/40/95/1066234095.db2.gz VVQLOLUTBNRHBJ-UHFFFAOYSA-N 0 0 549.631 2.046 20 5 KEBDRN O=C(NCc1ccc(F)cc1)C1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])CC1 ZINC000514293734 1066234853 /nfs/dbraw/zinc/23/48/53/1066234853.db2.gz XFXUATJWHIXDIO-UHFFFAOYSA-N 0 0 506.556 2.288 20 5 KEBDRN CCCCn1c2ccc(S(=O)(=O)N(C)C)cc2nc1CCC(=O)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000514294862 1066238779 /nfs/dbraw/zinc/23/87/79/1066238779.db2.gz CHTXAJUEPQTFHU-UHFFFAOYSA-N 0 0 606.727 2.461 20 5 KEBDRN O=C(C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000514294919 1066237527 /nfs/dbraw/zinc/23/75/27/1066237527.db2.gz DEVOEFOVSAZYOC-UHFFFAOYSA-N 0 0 557.050 2.182 20 5 KEBDRN COc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)cc1S(=O)(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000514294920 1066237376 /nfs/dbraw/zinc/23/73/76/1066237376.db2.gz DEZMEYURWOBNIH-KDURUIRLSA-N 0 0 580.685 2.417 20 5 KEBDRN COc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)cc1S(=O)(=O)N1C[C@@H](C)C[C@H](C)C1 ZINC000514294921 1066237498 /nfs/dbraw/zinc/23/74/98/1066237498.db2.gz DEZMEYURWOBNIH-OALUTQOASA-N 0 0 580.685 2.417 20 5 KEBDRN COc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)cc1S(=O)(=O)N1C[C@H](C)C[C@@H](C)C1 ZINC000514294922 1066238317 /nfs/dbraw/zinc/23/83/17/1066238317.db2.gz DEZMEYURWOBNIH-RTBURBONSA-N 0 0 580.685 2.417 20 5 KEBDRN O=C(C1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])CC1)N1CCN(c2ccccc2F)CC1 ZINC000514294942 1066238350 /nfs/dbraw/zinc/23/83/50/1066238350.db2.gz FBLKYRAHNNZEIJ-UHFFFAOYSA-N 0 0 561.636 2.320 20 5 KEBDRN CCCCn1c2nc(CCC(=O)N3CCN(S(=O)(=O)c4cccc([N+](=O)[O-])c4)CC3)n(CC(C)C)c2c(=O)[nH]c1=O ZINC000514294951 1066238381 /nfs/dbraw/zinc/23/83/81/1066238381.db2.gz FMVMULFBWBPSRW-UHFFFAOYSA-N 0 0 589.675 2.129 20 5 KEBDRN Cn1c2ccc(S(=O)(=O)N3CCCCC3)cc2nc1CCC(=O)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000514294988 1066237471 /nfs/dbraw/zinc/23/74/71/1066237471.db2.gz GRRJIHUHRKYGBE-UHFFFAOYSA-N 0 0 604.711 2.122 20 5 KEBDRN Cc1ccc(NC(=O)CS[C@@H](C)C(=O)N2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)cc1 ZINC000514295052 1066236793 /nfs/dbraw/zinc/23/67/93/1066236793.db2.gz ICGAAIUVKCSENB-KRWDZBQOSA-N 0 0 506.606 2.497 20 5 KEBDRN Cc1ccc(NC(=O)CS[C@H](C)C(=O)N2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)cc1 ZINC000514295054 1066236964 /nfs/dbraw/zinc/23/69/64/1066236964.db2.gz ICGAAIUVKCSENB-QGZVFWFLSA-N 0 0 506.606 2.497 20 5 KEBDRN CCN(CC)S(=O)(=O)c1ccc(N2CCN(S(=O)(=O)c3ccccc3F)CC2)c([N+](=O)[O-])c1 ZINC000514295310 1066239501 /nfs/dbraw/zinc/23/95/01/1066239501.db2.gz CKRVKAWYYNQVEY-UHFFFAOYSA-N 0 0 500.574 2.275 20 5 KEBDRN O=[N+]([O-])c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1 ZINC000514295316 1066239710 /nfs/dbraw/zinc/23/97/10/1066239710.db2.gz CWBHNNWBGNJIEL-UHFFFAOYSA-N 0 0 565.457 2.433 20 5 KEBDRN COc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000514295464 1066243616 /nfs/dbraw/zinc/24/36/16/1066243616.db2.gz JRHFCOFEPVARCV-UHFFFAOYSA-N 0 0 566.658 2.315 20 5 KEBDRN CN(Cc1ccccc1Br)C(=O)CN1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000514295621 1066243204 /nfs/dbraw/zinc/24/32/04/1066243204.db2.gz CQBYBSXJVTVRBD-UHFFFAOYSA-N 0 0 511.398 2.322 20 5 KEBDRN CCCCOCCCNC(=O)C1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])CC1 ZINC000514295842 1066241509 /nfs/dbraw/zinc/24/15/09/1066241509.db2.gz GBHFLIWCKXGETA-UHFFFAOYSA-N 0 0 512.629 2.155 20 5 KEBDRN CCN(CC)S(=O)(=O)c1ccc(OCC(=O)NC[C@H](c2ccc(F)cc2)N2CCOCC2)c([N+](=O)[O-])c1 ZINC000514295935 1066241076 /nfs/dbraw/zinc/24/10/76/1066241076.db2.gz GVRCQOUMMNBPIP-JOCHJYFZSA-N 0 0 538.598 2.333 20 5 KEBDRN CCN(CC)S(=O)(=O)c1ccc(OCC(=O)NC[C@@H](c2ccc(F)cc2)N2CCOCC2)c([N+](=O)[O-])c1 ZINC000514295937 1066240963 /nfs/dbraw/zinc/24/09/63/1066240963.db2.gz GVRCQOUMMNBPIP-QFIPXVFZSA-N 0 0 538.598 2.333 20 5 KEBDRN O=C(CSc1ncnc2ccccc21)N1CCC(C(=O)N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000514295984 1066241169 /nfs/dbraw/zinc/24/11/69/1066241169.db2.gz NDQQLMGSAHWCQR-UHFFFAOYSA-N 0 0 584.680 2.402 20 5 KEBDRN CCn1c2ccc(S(=O)(=O)N(C)C)cc2nc1CCC(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000514296040 1066240903 /nfs/dbraw/zinc/24/09/03/1066240903.db2.gz IQRBFAGKFBHMDU-UHFFFAOYSA-N 0 0 514.608 2.496 20 5 KEBDRN O=C(CSc1ccccc1C(=O)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1)N1CCCC1 ZINC000514296131 1066241049 /nfs/dbraw/zinc/24/10/49/1066241049.db2.gz PNCCMSACTJQIOQ-UHFFFAOYSA-N 0 0 518.617 2.456 20 5 KEBDRN O=C(CN1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])CC1)Nc1ccccc1Cl ZINC000514296161 1066240409 /nfs/dbraw/zinc/24/04/09/1066240409.db2.gz GNFFVHBHOCMSDA-UHFFFAOYSA-N 0 0 523.999 2.030 20 5 KEBDRN O=C(CCc1ccc(S(=O)(=O)N2CCCCC2)cc1)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000514296185 1066240397 /nfs/dbraw/zinc/24/03/97/1066240397.db2.gz QHPDCGWSYHTRTP-UHFFFAOYSA-N 0 0 550.659 2.235 20 5 KEBDRN Cc1cc(C)c(NC(=O)CNc2ccc(S(=O)(=O)NCCN3CCOCC3)cc2[N+](=O)[O-])c(C)c1 ZINC000514296373 1066248276 /nfs/dbraw/zinc/24/82/76/1066248276.db2.gz KFSALBVZFYLHIP-UHFFFAOYSA-N 0 0 505.597 2.181 20 5 KEBDRN CNS(=O)(=O)c1ccc(N2CCN(Cc3nc4sc5c(c4c(=O)[nH]3)CCCC5)CC2)c([N+](=O)[O-])c1 ZINC000514296392 1066248508 /nfs/dbraw/zinc/24/85/08/1066248508.db2.gz KNAGLHZZONQPBJ-UHFFFAOYSA-N 0 0 518.621 2.414 20 5 KEBDRN COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000514296488 1066248313 /nfs/dbraw/zinc/24/83/13/1066248313.db2.gz QVBZVJYANFBBLB-UHFFFAOYSA-N 0 0 540.620 2.202 20 5 KEBDRN C[C@@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)cc1 ZINC000514296570 1066247892 /nfs/dbraw/zinc/24/78/92/1066247892.db2.gz SIDPIBWDFFPOEQ-GOSISDBHSA-N 0 0 536.632 2.305 20 5 KEBDRN C[C@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)cc1 ZINC000514296571 1066247792 /nfs/dbraw/zinc/24/77/92/1066247792.db2.gz SIDPIBWDFFPOEQ-SFHVURJKSA-N 0 0 536.632 2.305 20 5 KEBDRN CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)c1ccccc1Sc1ccc(S(=O)(=O)N2CCCC2)cc1[N+](=O)[O-] ZINC000514296595 1066247295 /nfs/dbraw/zinc/24/72/95/1066247295.db2.gz NRIXGMUUSHMAFX-GOSISDBHSA-N 0 0 610.736 2.296 20 5 KEBDRN CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)c1ccccc1Sc1ccc(S(=O)(=O)N2CCCC2)cc1[N+](=O)[O-] ZINC000514296598 1066247226 /nfs/dbraw/zinc/24/72/26/1066247226.db2.gz NRIXGMUUSHMAFX-SFHVURJKSA-N 0 0 610.736 2.296 20 5 KEBDRN O=[N+]([O-])c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 ZINC000514296643 1066247747 /nfs/dbraw/zinc/24/77/47/1066247747.db2.gz NDYVCKIQGUMTBP-UHFFFAOYSA-N 0 0 564.564 2.145 20 5 KEBDRN Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000514296646 1066247914 /nfs/dbraw/zinc/24/79/14/1066247914.db2.gz SXMYXXRCEWMAAT-UHFFFAOYSA-N 0 0 536.632 2.225 20 5 KEBDRN Cc1ccc(S(=O)(=O)NC(C)(C)C)cc1C(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000514296657 1066246830 /nfs/dbraw/zinc/24/68/30/1066246830.db2.gz SZMBGDPLAMUJIO-UHFFFAOYSA-N 0 0 524.621 2.127 20 5 KEBDRN C[C@@H]1C[C@H](C)CN(S(=O)(=O)c2cccc(C(=O)N3CCN(S(=O)(=O)c4ccc([N+](=O)[O-])cc4)CC3)c2)C1 ZINC000514296676 1066246841 /nfs/dbraw/zinc/24/68/41/1066246841.db2.gz TWZBZRAQLHWSGU-KDURUIRLSA-N 0 0 550.659 2.408 20 5 KEBDRN C[C@H]1C[C@H](C)CN(S(=O)(=O)c2cccc(C(=O)N3CCN(S(=O)(=O)c4ccc([N+](=O)[O-])cc4)CC3)c2)C1 ZINC000514296679 1066246615 /nfs/dbraw/zinc/24/66/15/1066246615.db2.gz TWZBZRAQLHWSGU-OALUTQOASA-N 0 0 550.659 2.408 20 5 KEBDRN C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2cccc(C(=O)N3CCN(S(=O)(=O)c4ccc([N+](=O)[O-])cc4)CC3)c2)C1 ZINC000514296681 1066246789 /nfs/dbraw/zinc/24/67/89/1066246789.db2.gz TWZBZRAQLHWSGU-RTBURBONSA-N 0 0 550.659 2.408 20 5 KEBDRN CCN(CC)S(=O)(=O)c1ccc(OCC(=O)NCc2ccc(OC)c(C(=O)OC)c2)c([N+](=O)[O-])c1 ZINC000514296799 1066246718 /nfs/dbraw/zinc/24/67/18/1066246718.db2.gz PXCLORSTZLHYJQ-UHFFFAOYSA-N 0 0 509.537 2.116 20 5 KEBDRN CCN(CC)S(=O)(=O)c1ccc(N2CCC(C(=O)N3CCN(C(=O)C(C)C)CC3)CC2)c([N+](=O)[O-])c1 ZINC000514296865 1066245960 /nfs/dbraw/zinc/24/59/60/1066245960.db2.gz QZMXTUSXNZPFPA-UHFFFAOYSA-N 0 0 523.656 2.169 20 5 KEBDRN CCN(CC)S(=O)(=O)c1ccc(N2CCN(C[C@H](O)COCc3ccccc3F)CC2)c([N+](=O)[O-])c1 ZINC000514296930 1066245343 /nfs/dbraw/zinc/24/53/43/1066245343.db2.gz QKYPCRZRHAPTLA-FQEVSTJZSA-N 0 0 524.615 2.464 20 5 KEBDRN CCN(CC)S(=O)(=O)c1ccc(N2CCN(C[C@@H](O)COCc3ccccc3F)CC2)c([N+](=O)[O-])c1 ZINC000514296937 1066245447 /nfs/dbraw/zinc/24/54/47/1066245447.db2.gz QKYPCRZRHAPTLA-HXUWFJFHSA-N 0 0 524.615 2.464 20 5 KEBDRN COc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000514297042 1066244719 /nfs/dbraw/zinc/24/47/19/1066244719.db2.gz VXNXYXDGVUKGTG-UHFFFAOYSA-N 0 0 566.658 2.315 20 5 KEBDRN C[C@H]1CCCC[C@@]12NC(=O)N(CC(=O)Nc1ncc(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)s1)C2=O ZINC000514297085 1066244919 /nfs/dbraw/zinc/24/49/19/1066244919.db2.gz RUGWEJMHYRTBLR-FKIZINRSSA-N 0 0 507.550 2.323 20 5 KEBDRN C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)Nc1ncc(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)s1)C2=O ZINC000514297088 1066244884 /nfs/dbraw/zinc/24/48/84/1066244884.db2.gz RUGWEJMHYRTBLR-MPBGBICISA-N 0 0 507.550 2.323 20 5 KEBDRN C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)Nc1ncc(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)s1)C2=O ZINC000514297090 1066244804 /nfs/dbraw/zinc/24/48/04/1066244804.db2.gz RUGWEJMHYRTBLR-ODXCJYRJSA-N 0 0 507.550 2.323 20 5 KEBDRN C[C@H]1CCCC[C@]12NC(=O)N(CC(=O)Nc1ncc(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)s1)C2=O ZINC000514297092 1066244828 /nfs/dbraw/zinc/24/48/28/1066244828.db2.gz RUGWEJMHYRTBLR-YUNKPMOVSA-N 0 0 507.550 2.323 20 5 KEBDRN C[C@@H]1CCCCN1S(=O)(=O)c1cccc(C(=O)N2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)c1 ZINC000514297104 1066244051 /nfs/dbraw/zinc/24/40/51/1066244051.db2.gz XDKWLFLLXOVQPZ-GOSISDBHSA-N 0 0 536.632 2.305 20 5 KEBDRN C[C@H]1CCCCN1S(=O)(=O)c1cccc(C(=O)N2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)c1 ZINC000514297105 1066244229 /nfs/dbraw/zinc/24/42/29/1066244229.db2.gz XDKWLFLLXOVQPZ-SFHVURJKSA-N 0 0 536.632 2.305 20 5 KEBDRN CCOC(=O)c1ccc(NC(=O)CSCCC(=O)N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000514297121 1066244062 /nfs/dbraw/zinc/24/40/62/1066244062.db2.gz XHQAHKAQNRKGIX-UHFFFAOYSA-N 0 0 564.642 2.366 20 5 KEBDRN C[C@@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(C(=O)N3CCN(S(=O)(=O)c4ccccc4[N+](=O)[O-])CC3)cc2)C1 ZINC000514297278 1066249531 /nfs/dbraw/zinc/24/95/31/1066249531.db2.gz YRSZAAXMWCWJQV-KDURUIRLSA-N 0 0 550.659 2.408 20 5 KEBDRN C[C@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(C(=O)N3CCN(S(=O)(=O)c4ccccc4[N+](=O)[O-])CC3)cc2)C1 ZINC000514297279 1066249700 /nfs/dbraw/zinc/24/97/00/1066249700.db2.gz YRSZAAXMWCWJQV-OALUTQOASA-N 0 0 550.659 2.408 20 5 KEBDRN C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(C(=O)N3CCN(S(=O)(=O)c4ccccc4[N+](=O)[O-])CC3)cc2)C1 ZINC000514297280 1066249753 /nfs/dbraw/zinc/24/97/53/1066249753.db2.gz YRSZAAXMWCWJQV-RTBURBONSA-N 0 0 550.659 2.408 20 5 KEBDRN CCN(CC)S(=O)(=O)c1ccc(N2CCN(S(=O)(=O)c3ccc(C(=O)NCC(F)(F)F)cc3)CC2)c([N+](=O)[O-])c1 ZINC000514297285 1066249515 /nfs/dbraw/zinc/24/95/15/1066249515.db2.gz PFDDRCXVZZIKDL-UHFFFAOYSA-N 0 0 607.633 2.428 20 5 KEBDRN CCN(CC)S(=O)(=O)c1ccc(N2CCC(C(=O)N3CCC(C(=O)OC)CC3)CC2)c([N+](=O)[O-])c1 ZINC000514297512 1066254114 /nfs/dbraw/zinc/25/41/14/1066254114.db2.gz XMEVLRXUTUZHQA-UHFFFAOYSA-N 0 0 510.613 2.253 20 5 KEBDRN COc1cc(C=c2sc(=CC(=O)C(C)(C)C)n(CC(=O)N3CCC[C@H](C)C3)c2=O)c([N+](=O)[O-])cc1OC ZINC000514297615 1066253396 /nfs/dbraw/zinc/25/33/96/1066253396.db2.gz PYONWIMJNWJBRL-INIZCTEOSA-N 0 0 531.631 2.318 20 5 KEBDRN COc1cc(C=c2sc(=CC(=O)C(C)(C)C)n(CC(=O)N3CCC[C@@H](C)C3)c2=O)c([N+](=O)[O-])cc1OC ZINC000514297616 1066253325 /nfs/dbraw/zinc/25/33/25/1066253325.db2.gz PYONWIMJNWJBRL-MRXNPFEDSA-N 0 0 531.631 2.318 20 5 KEBDRN COc1cc(C=c2sc(=CC(=O)C(C)(C)C)n(CC(=O)N3CCCCCC3)c2=O)c([N+](=O)[O-])cc1OC ZINC000514297678 1066251592 /nfs/dbraw/zinc/25/15/92/1066251592.db2.gz QPERLWWORJCNLR-UHFFFAOYSA-N 0 0 531.631 2.462 20 5 KEBDRN O=C(CN1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])CC1)Nc1ccccc1C(F)(F)F ZINC000514297788 1066251676 /nfs/dbraw/zinc/25/16/76/1066251676.db2.gz SETSLJBMLUCYJS-UHFFFAOYSA-N 0 0 557.551 2.395 20 5 KEBDRN CCN(CC)S(=O)(=O)c1ccc(N2CCN(S(=O)(=O)c3ccc(F)c(F)c3)CC2)c([N+](=O)[O-])c1 ZINC000514297887 1066252784 /nfs/dbraw/zinc/25/27/84/1066252784.db2.gz WIUGYVFGNNNSPM-UHFFFAOYSA-N 0 0 518.564 2.414 20 5 KEBDRN CC1CCC2(CC1)NC(=O)N(CC(=O)Nc1ncc(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)s1)C2=O ZINC000514298036 1066252123 /nfs/dbraw/zinc/25/21/23/1066252123.db2.gz ZMXNWYNERZEYCE-UHFFFAOYSA-N 0 0 507.550 2.323 20 5 KEBDRN COc1ccc(S(=O)(=O)N2CCN(CCS(=O)(=O)c3ccc(Br)cc3)CC2)cc1[N+](=O)[O-] ZINC000514298102 1066252776 /nfs/dbraw/zinc/25/27/76/1066252776.db2.gz UTQJMUGXFDUQQK-UHFFFAOYSA-N 0 0 548.437 2.146 20 5 KEBDRN COc1cc(C=c2sc(=CC(=O)C(C)(C)C)n(CC(=O)NC3CCCC3)c2=O)c([N+](=O)[O-])cc1OC ZINC000514298123 1066251085 /nfs/dbraw/zinc/25/10/85/1066251085.db2.gz VDKHVURYKAWQLF-UHFFFAOYSA-N 0 0 517.604 2.119 20 5 KEBDRN CCN(CC)S(=O)(=O)c1ccc(N2CCN(S(=O)(=O)c3ccc(NC(C)=O)cc3)CC2)c([N+](=O)[O-])c1 ZINC000514298180 1066251519 /nfs/dbraw/zinc/25/15/19/1066251519.db2.gz WICZMANPFGSRAB-UHFFFAOYSA-N 0 0 539.636 2.095 20 5 KEBDRN CCN(CC(=O)Nc1ccccc1OC)C(=O)CNS(=O)(=O)c1ccc(NC(C)C)c([N+](=O)[O-])c1 ZINC000514298256 1066250944 /nfs/dbraw/zinc/25/09/44/1066250944.db2.gz YEXBKYGDOBNMDZ-UHFFFAOYSA-N 0 0 507.569 2.189 20 5 KEBDRN O=C(NCCc1ccccc1F)C1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])CC1 ZINC000514298560 1066255691 /nfs/dbraw/zinc/25/56/91/1066255691.db2.gz AJPMYMNFBSKELW-UHFFFAOYSA-N 0 0 520.583 2.330 20 5 KEBDRN CCN(CC)S(=O)(=O)c1ccc(N2CCN(C(=O)CCn3cnc4ccccc4c3=O)CC2)c([N+](=O)[O-])c1 ZINC000514298602 1066256457 /nfs/dbraw/zinc/25/64/57/1066256457.db2.gz BUFXHAKNGCHZCT-UHFFFAOYSA-N 0 0 542.618 2.074 20 5 KEBDRN COc1ccc(S(=O)(=O)N2CCN(C(=O)CCNC(=O)C34CC5CC(CC(C5)C3)C4)CC2)cc1[N+](=O)[O-] ZINC000514298756 1066255706 /nfs/dbraw/zinc/25/57/06/1066255706.db2.gz DWVBJBUPQBRXGX-UHFFFAOYSA-N 0 0 534.635 2.159 20 5 KEBDRN O=C(C1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000514298762 1066255822 /nfs/dbraw/zinc/25/58/22/1066255822.db2.gz FEBQLUVTDZWEGY-UHFFFAOYSA-N 0 0 576.697 2.407 20 5 KEBDRN COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CSCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000514298770 1066255750 /nfs/dbraw/zinc/25/57/50/1066255750.db2.gz FKUMYCUFTOTYAA-UHFFFAOYSA-N 0 0 538.604 2.243 20 5 KEBDRN Cn1c(C[C@@H]2CCS(=O)(=O)C2)nnc1Sc1ccc(S(=O)(=O)N2CCCCC2)cc1[N+](=O)[O-] ZINC000514298781 1066255836 /nfs/dbraw/zinc/25/58/36/1066255836.db2.gz FQCVFLQUZOSVRI-AWEZNQCLSA-N 0 0 515.639 2.026 20 5 KEBDRN Cn1c(C[C@H]2CCS(=O)(=O)C2)nnc1Sc1ccc(S(=O)(=O)N2CCCCC2)cc1[N+](=O)[O-] ZINC000514298782 1066255915 /nfs/dbraw/zinc/25/59/15/1066255915.db2.gz FQCVFLQUZOSVRI-CQSZACIVSA-N 0 0 515.639 2.026 20 5 KEBDRN CCN(CC)S(=O)(=O)c1ccc(N2CCN(C(=O)c3ccc4c(c3)CCCN4S(C)(=O)=O)CC2)c([N+](=O)[O-])c1 ZINC000514299133 1066255216 /nfs/dbraw/zinc/25/52/16/1066255216.db2.gz APJGDWUADSCZSP-UHFFFAOYSA-N 0 0 579.701 2.300 20 5 KEBDRN O=C(NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000514299148 1066254727 /nfs/dbraw/zinc/25/47/27/1066254727.db2.gz AUOWRCAVLBKVRB-UHFFFAOYSA-N 0 0 502.471 2.476 20 5 KEBDRN CN(CC(=O)NC(C)(C)C)C(=O)C1CCN(c2ccc(S(=O)(=O)N3CCCCC3)cc2[N+](=O)[O-])CC1 ZINC000514299211 1066254558 /nfs/dbraw/zinc/25/45/58/1066254558.db2.gz CRVLTJXRFVESJA-UHFFFAOYSA-N 0 0 523.656 2.359 20 5 KEBDRN O=C(CN1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1)N(Cc1ccccc1)CC(F)(F)F ZINC000514299226 1066254610 /nfs/dbraw/zinc/25/46/10/1066254610.db2.gz DDWBMXKDYNKKRG-UHFFFAOYSA-N 0 0 500.499 2.492 20 5 KEBDRN O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CCN(S(=O)(=O)c3cccc(Br)c3)CC2)c1 ZINC000514299332 1066256426 /nfs/dbraw/zinc/25/64/26/1066256426.db2.gz LPLDFZGFZITCAR-KRWDZBQOSA-N 0 0 500.371 2.104 20 5 KEBDRN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CCN(S(=O)(=O)c3cccc(Br)c3)CC2)c1 ZINC000514299333 1066256369 /nfs/dbraw/zinc/25/63/69/1066256369.db2.gz LPLDFZGFZITCAR-QGZVFWFLSA-N 0 0 500.371 2.104 20 5 KEBDRN O=C(COc1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-])N(Cc1ccco1)CC(F)(F)F ZINC000514299391 1066260921 /nfs/dbraw/zinc/26/09/21/1066260921.db2.gz DXXRVGGDPFOEMB-UHFFFAOYSA-N 0 0 507.443 2.179 20 5 KEBDRN CC(C)C(=O)N1CCN(C(=O)[C@@H](Cc2c[nH]c3ccccc23)NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000514299396 1066260973 /nfs/dbraw/zinc/26/09/73/1066260973.db2.gz FDEUUJIPIKIBBZ-HSZRJFAPSA-N 0 0 527.603 2.293 20 5 KEBDRN CC(C)C(=O)N1CCN(C(=O)[C@H](Cc2c[nH]c3ccccc23)NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000514299398 1066261031 /nfs/dbraw/zinc/26/10/31/1066261031.db2.gz FDEUUJIPIKIBBZ-QHCPKHFHSA-N 0 0 527.603 2.293 20 5 KEBDRN CCCCn1c(N)c(N(CC(C)C)C(=O)c2ccc(N3CCN(C(C)=O)CC3)c([N+](=O)[O-])c2)c(=O)[nH]c1=O ZINC000514299444 1066260478 /nfs/dbraw/zinc/26/04/78/1066260478.db2.gz GHQAYYUNWMWJDD-UHFFFAOYSA-N 0 0 529.598 2.211 20 5 KEBDRN Cc1cccc(C)c1NC(=O)CN1CCN(C(=O)CNS(=O)(=O)c2ccc(NC(C)C)c([N+](=O)[O-])c2)CC1 ZINC000514299455 1066260198 /nfs/dbraw/zinc/26/01/98/1066260198.db2.gz FSZJRKVSARNWSH-UHFFFAOYSA-N 0 0 546.650 2.093 20 5 KEBDRN O=C(NCCNc1ccccc1[N+](=O)[O-])C1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 ZINC000514299630 1066259741 /nfs/dbraw/zinc/25/97/41/1066259741.db2.gz HXWYYFZEVOSFHP-UHFFFAOYSA-N 0 0 504.565 2.385 20 5 KEBDRN CCN(CC)S(=O)(=O)c1ccc(N2CCN(CC(=O)N(C)Cc3ccccc3OC)CC2)c([N+](=O)[O-])c1 ZINC000514299669 1066259159 /nfs/dbraw/zinc/25/91/59/1066259159.db2.gz MZBYUZZAWKFWQS-UHFFFAOYSA-N 0 0 533.651 2.415 20 5 KEBDRN CS(=O)(=O)c1ccc(NCCNC(=O)c2sccc2S(=O)(=O)N2CCCCC2)c([N+](=O)[O-])c1 ZINC000514299746 1066259088 /nfs/dbraw/zinc/25/90/88/1066259088.db2.gz QITKFLFCENAUGS-UHFFFAOYSA-N 0 0 516.623 2.076 20 5 KEBDRN Cc1cccc(OCCNC(=O)C2CCN(c3ccc(S(=O)(=O)N4CCOCC4)cc3[N+](=O)[O-])CC2)c1 ZINC000514299869 1066258103 /nfs/dbraw/zinc/25/81/03/1066258103.db2.gz JXTWVWBKLUYKDL-UHFFFAOYSA-N 0 0 532.619 2.336 20 5 KEBDRN CC(C)Nc1ccc(S(=O)(=O)NCC(=O)N2CCN(CC(=O)Nc3ccccc3Cl)CC2)cc1[N+](=O)[O-] ZINC000514299897 1066258136 /nfs/dbraw/zinc/25/81/36/1066258136.db2.gz KEFKLPLZLOJMDN-UHFFFAOYSA-N 0 0 553.041 2.130 20 5 KEBDRN CCN(c1ccccc1)S(=O)(=O)c1ccc(N2CCN([C@H]3CCS(=O)(=O)C3)CC2)c([N+](=O)[O-])c1 ZINC000514300033 1066257465 /nfs/dbraw/zinc/25/74/65/1066257465.db2.gz LIVIKEPVGJRMQA-IBGZPJMESA-N 0 0 508.622 2.119 20 5 KEBDRN CCN(c1ccccc1)S(=O)(=O)c1ccc(N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)c([N+](=O)[O-])c1 ZINC000514300034 1066257488 /nfs/dbraw/zinc/25/74/88/1066257488.db2.gz LIVIKEPVGJRMQA-LJQANCHMSA-N 0 0 508.622 2.119 20 5 KEBDRN CN(CC(=O)NC1CC1)c1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1[N+](=O)[O-] ZINC000514300397 1066271456 /nfs/dbraw/zinc/27/14/56/1066271456.db2.gz NRBJHLJPYCNJBO-UHFFFAOYSA-N 0 0 501.565 2.346 20 5 KEBDRN CCN1CCN(S(=O)(=O)c2cccc(NC(=O)C3CCN(S(=O)(=O)c4cc([N+](=O)[O-])ccc4C)CC3)c2)CC1 ZINC000514300553 1066257991 /nfs/dbraw/zinc/25/79/91/1066257991.db2.gz ODSRIUXNWHHPPW-UHFFFAOYSA-N 0 0 579.701 2.269 20 5 KEBDRN CC(=O)N1CCN(c2ccc(C(=O)N3CCN(CC(=O)Nc4c(C)cccc4C)CC3)cc2[N+](=O)[O-])CC1 ZINC000514300557 1066261044 /nfs/dbraw/zinc/26/10/44/1066261044.db2.gz OIMISAAQRNZOEG-UHFFFAOYSA-N 0 0 522.606 2.277 20 5 KEBDRN CCN(CC)S(=O)(=O)c1ccc(N2CCN(C(=O)CS(=O)(=O)c3ccc(Cl)cc3)CC2)c([N+](=O)[O-])c1 ZINC000514300703 1066264118 /nfs/dbraw/zinc/26/41/18/1066264118.db2.gz QTBXRGBIIYPKGK-UHFFFAOYSA-N 0 0 559.066 2.401 20 5 KEBDRN O=[N+]([O-])c1ccc(NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)c(S(=O)(=O)N2CCCC2)c1 ZINC000514300869 1066263485 /nfs/dbraw/zinc/26/34/85/1066263485.db2.gz RBJRHZAVLFJPPV-UHFFFAOYSA-N 0 0 510.594 2.012 20 5 KEBDRN CC(=O)N1CCN(c2ccc(C(=O)Nc3ccc(S(=O)(=O)N4C[C@@H](C)O[C@@H](C)C4)cc3)cc2[N+](=O)[O-])CC1 ZINC000514300880 1066263540 /nfs/dbraw/zinc/26/35/40/1066263540.db2.gz RMPJCPDTYZEFEH-HDICACEKSA-N 0 0 545.618 2.314 20 5 KEBDRN CC(=O)N1CCN(c2ccc(C(=O)Nc3ccc(S(=O)(=O)N4C[C@@H](C)O[C@H](C)C4)cc3)cc2[N+](=O)[O-])CC1 ZINC000514300881 1066263352 /nfs/dbraw/zinc/26/33/52/1066263352.db2.gz RMPJCPDTYZEFEH-QZTJIDSGSA-N 0 0 545.618 2.314 20 5 KEBDRN CC(=O)N1CCN(c2ccc(C(=O)Nc3ccc(S(=O)(=O)N4C[C@H](C)O[C@@H](C)C4)cc3)cc2[N+](=O)[O-])CC1 ZINC000514300882 1066263421 /nfs/dbraw/zinc/26/34/21/1066263421.db2.gz RMPJCPDTYZEFEH-ROUUACIJSA-N 0 0 545.618 2.314 20 5 KEBDRN CNS(=O)(=O)c1ccc(N2CCN(CC(=O)Nc3ccc(OC(F)(F)F)cc3)CC2)c([N+](=O)[O-])c1 ZINC000514301032 1066262994 /nfs/dbraw/zinc/26/29/94/1066262994.db2.gz WHIXMUQVUJKDFC-UHFFFAOYSA-N 0 0 517.486 2.162 20 5 KEBDRN CCCCn1c(N)c(N(CCOC)C(=O)c2ccc(Cn3nc(C)c([N+](=O)[O-])c3C)cc2)c(=O)[nH]c1=O ZINC000514301133 1066261692 /nfs/dbraw/zinc/26/16/92/1066261692.db2.gz WXDLQVNIGZPXPV-UHFFFAOYSA-N 0 0 513.555 2.394 20 5 KEBDRN CCN(CC(=O)Nc1ccc(NC(C)=O)cc1)C(=O)c1ccc(N2CCN(C(C)=O)CC2)c([N+](=O)[O-])c1 ZINC000514301279 1066260960 /nfs/dbraw/zinc/26/09/60/1066260960.db2.gz XXSTWTVXKJSMEQ-UHFFFAOYSA-N 0 0 510.551 2.323 20 5 KEBDRN COc1ccc(S(=O)(=O)N2CCN(C(=O)C[C@H](NC(C)=O)c3ccc(C)cc3)CC2)cc1[N+](=O)[O-] ZINC000514301292 1066271318 /nfs/dbraw/zinc/27/13/18/1066271318.db2.gz YEJRFERPOVFSAV-FQEVSTJZSA-N 0 0 504.565 2.012 20 5 KEBDRN COc1ccc(S(=O)(=O)N2CCN(C(=O)C[C@@H](NC(C)=O)c3ccc(C)cc3)CC2)cc1[N+](=O)[O-] ZINC000514301293 1066271485 /nfs/dbraw/zinc/27/14/85/1066271485.db2.gz YEJRFERPOVFSAV-HXUWFJFHSA-N 0 0 504.565 2.012 20 5 KEBDRN CCCCN(C(=O)c1ccc(N2CCN(C(C)=O)CC2)c([N+](=O)[O-])c1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000514301336 1066273517 /nfs/dbraw/zinc/27/35/17/1066273517.db2.gz ZJXJDWVDEZNFGS-UHFFFAOYSA-N 0 0 529.598 2.211 20 5 KEBDRN COc1ccc(S(=O)(=O)N2CCN(C(=O)CCc3c(C)nc(SC)nc3C)CC2)cc1[N+](=O)[O-] ZINC000514301393 1066273650 /nfs/dbraw/zinc/27/36/50/1066273650.db2.gz ZJUZJLBCCLEXTL-UHFFFAOYSA-N 0 0 509.610 2.198 20 5 KEBDRN COc1ccc(OC)c(S(=O)(=O)N2CCN(C(=O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)CC2)c1 ZINC000514301405 1066273507 /nfs/dbraw/zinc/27/35/07/1066273507.db2.gz ZQOGEALIRSKBSF-UHFFFAOYSA-N 0 0 504.565 2.359 20 5 KEBDRN O=C(N1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])CC1)C12CC3CC(CC(C3)C1)C2 ZINC000514301602 1066273622 /nfs/dbraw/zinc/27/36/22/1066273622.db2.gz AJVRSAXFGPUFBT-UHFFFAOYSA-N 0 0 518.636 2.481 20 5 KEBDRN COc1ccc(CN2CCN(c3ccc(S(=O)(=O)N4CCN(C)CC4)cc3[N+](=O)[O-])CC2)cc1F ZINC000514301700 1066272913 /nfs/dbraw/zinc/27/29/13/1066272913.db2.gz COCZNAUPELBYBS-UHFFFAOYSA-N 0 0 507.588 2.001 20 5 KEBDRN CC(=O)N1CCN(c2ccc(C(=O)NC3CCN(S(=O)(=O)c4ccc(C)cc4)CC3)cc2[N+](=O)[O-])CC1 ZINC000514301852 1066273039 /nfs/dbraw/zinc/27/30/39/1066273039.db2.gz DZNZJRBOKIRJFX-UHFFFAOYSA-N 0 0 529.619 2.155 20 5 KEBDRN Cc1ccc([C@H](CNC(=O)C2CCN(S(=O)(=O)c3cc([N+](=O)[O-])ccc3C)CC2)N2CCOCC2)o1 ZINC000514302116 1066271974 /nfs/dbraw/zinc/27/19/74/1066271974.db2.gz BOFCOAKWIMZDPC-NRFANRHFSA-N 0 0 520.608 2.395 20 5 KEBDRN Cc1ccc([C@@H](CNC(=O)C2CCN(S(=O)(=O)c3cc([N+](=O)[O-])ccc3C)CC2)N2CCOCC2)o1 ZINC000514302119 1066271922 /nfs/dbraw/zinc/27/19/22/1066271922.db2.gz BOFCOAKWIMZDPC-OAQYLSRUSA-N 0 0 520.608 2.395 20 5 KEBDRN CN1CCN(S(=O)(=O)c2ccc(N3CCC(n4c(=O)[nH]c5ccccc54)CC3)c([N+](=O)[O-])c2)CC1 ZINC000514302122 1066271755 /nfs/dbraw/zinc/27/17/55/1066271755.db2.gz BPGPNSVKXUIYNT-UHFFFAOYSA-N 0 0 500.581 2.428 20 5 KEBDRN COc1ccc(S(=O)(=O)N2CCN(C(=O)C[C@H](NC(C)=O)c3ccc(Cl)cc3)CC2)cc1[N+](=O)[O-] ZINC000514302123 1066271990 /nfs/dbraw/zinc/27/19/90/1066271990.db2.gz BPIOYPMRTTYZAF-IBGZPJMESA-N 0 0 524.983 2.357 20 5 KEBDRN COc1ccc(S(=O)(=O)N2CCN(C(=O)C[C@@H](NC(C)=O)c3ccc(Cl)cc3)CC2)cc1[N+](=O)[O-] ZINC000514302125 1066271833 /nfs/dbraw/zinc/27/18/33/1066271833.db2.gz BPIOYPMRTTYZAF-LJQANCHMSA-N 0 0 524.983 2.357 20 5 KEBDRN O=C(NC1CCN(C(=O)C2CC2)CC1)[C@H](Cc1c[nH]c2ccccc12)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000514302267 1066271408 /nfs/dbraw/zinc/27/14/08/1066271408.db2.gz NXASDKZIXMRNLX-DEOSSOPVSA-N 0 0 539.614 2.483 20 5 KEBDRN O=C(c1ccc2c(c1)nc1n(c2=O)CCCCC1)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000514302369 1066268664 /nfs/dbraw/zinc/26/86/64/1066268664.db2.gz DKVMTFOPRXUMRR-UHFFFAOYSA-N 0 0 511.560 2.178 20 5 KEBDRN CCN(CC)S(=O)(=O)c1ccc(N2CCN(C(=O)c3ccc(CN4C(=O)CCC4=O)cc3)CC2)c([N+](=O)[O-])c1 ZINC000514303037 1066267910 /nfs/dbraw/zinc/26/79/10/1066267910.db2.gz JKPRMKVGQHQMSZ-UHFFFAOYSA-N 0 0 557.629 2.237 20 5 KEBDRN CC[C@H](C)[C@H](C(=O)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1)N1C(=O)c2ccccc2C1=O ZINC000514303828 1066269332 /nfs/dbraw/zinc/26/93/32/1066269332.db2.gz OKAYJYZXTJCVPZ-HRAATJIYSA-N 0 0 514.560 2.139 20 5 KEBDRN CC[C@@H](C)[C@@H](C(=O)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1)N1C(=O)c2ccccc2C1=O ZINC000514303829 1066269206 /nfs/dbraw/zinc/26/92/06/1066269206.db2.gz OKAYJYZXTJCVPZ-IERDGZPVSA-N 0 0 514.560 2.139 20 5 KEBDRN CC[C@@H](C)[C@H](C(=O)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1)N1C(=O)c2ccccc2C1=O ZINC000514303830 1066269228 /nfs/dbraw/zinc/26/92/28/1066269228.db2.gz OKAYJYZXTJCVPZ-IIBYNOLFSA-N 0 0 514.560 2.139 20 5 KEBDRN CC[C@H](C)[C@@H](C(=O)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1)N1C(=O)c2ccccc2C1=O ZINC000514303831 1066269313 /nfs/dbraw/zinc/26/93/13/1066269313.db2.gz OKAYJYZXTJCVPZ-KKSFZXQISA-N 0 0 514.560 2.139 20 5 KEBDRN COc1cc(CCNC(=O)[C@H](CCS(C)(=O)=O)NC(=O)c2ccc(Cl)cc2)c([N+](=O)[O-])cc1OC ZINC000514303843 1066269238 /nfs/dbraw/zinc/26/92/38/1066269238.db2.gz PCFZBKLRCSAUHW-KRWDZBQOSA-N 0 0 527.983 2.157 20 5 KEBDRN COc1cc(CCNC(=O)[C@@H](CCS(C)(=O)=O)NC(=O)c2ccc(Cl)cc2)c([N+](=O)[O-])cc1OC ZINC000514303845 1066269367 /nfs/dbraw/zinc/26/93/67/1066269367.db2.gz PCFZBKLRCSAUHW-QGZVFWFLSA-N 0 0 527.983 2.157 20 5 KEBDRN CCN(CC)S(=O)(=O)c1ccc(OCC(=O)Nc2cccc(S(=O)(=O)N3CCCC3)c2)c([N+](=O)[O-])c1 ZINC000514374358 1066277875 /nfs/dbraw/zinc/27/78/75/1066277875.db2.gz ALHAKZLEKWXBIU-UHFFFAOYSA-N 0 0 540.620 2.427 20 5 KEBDRN CCN(CC)C(=O)c1ccc(NC(=O)COc2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])cc1 ZINC000514375631 1066280694 /nfs/dbraw/zinc/28/06/94/1066280694.db2.gz SUWOPVFHNPQAJJ-UHFFFAOYSA-N 0 0 520.564 2.115 20 5 KEBDRN CN(Cc1ccccc1Br)C(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-] ZINC000514375691 1066280533 /nfs/dbraw/zinc/28/05/33/1066280533.db2.gz UDVJOXNTSMVWHK-UHFFFAOYSA-N 0 0 528.381 2.416 20 5 KEBDRN CCN(CC)S(=O)(=O)c1ccc(OCC(=O)NCC(=O)Nc2cc(C)ccc2OC)c([N+](=O)[O-])c1 ZINC000514375942 1066280048 /nfs/dbraw/zinc/28/00/48/1066280048.db2.gz XIHAULFHHZKRIE-UHFFFAOYSA-N 0 0 508.553 2.076 20 5 KEBDRN Cc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000514376312 1066279594 /nfs/dbraw/zinc/27/95/94/1066279594.db2.gz HKRWCKAJAKUSLX-UHFFFAOYSA-N 0 0 566.658 2.272 20 5 KEBDRN CCN(CC)S(=O)(=O)c1ccc(N2CCN(C(=O)[C@H]3COc4ccccc4O3)CC2)c([N+](=O)[O-])c1 ZINC000514376464 1066283429 /nfs/dbraw/zinc/28/34/29/1066283429.db2.gz AMDCKFBXAFCOCP-JOCHJYFZSA-N 0 0 504.565 2.114 20 5 KEBDRN CCN(CC)S(=O)(=O)c1ccc(N2CCN(C(=O)[C@@H]3COc4ccccc4O3)CC2)c([N+](=O)[O-])c1 ZINC000514376465 1066283572 /nfs/dbraw/zinc/28/35/72/1066283572.db2.gz AMDCKFBXAFCOCP-QFIPXVFZSA-N 0 0 504.565 2.114 20 5 KEBDRN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC(C(=O)NC[C@@H]2CN(Cc3ccccc3)CCO2)CC1 ZINC000514376814 1066281724 /nfs/dbraw/zinc/28/17/24/1066281724.db2.gz HEGYWJUYWKNULV-HSZRJFAPSA-N 0 0 516.620 2.321 20 5 KEBDRN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC(C(=O)NC[C@H]2CN(Cc3ccccc3)CCO2)CC1 ZINC000514376815 1066281895 /nfs/dbraw/zinc/28/18/95/1066281895.db2.gz HEGYWJUYWKNULV-QHCPKHFHSA-N 0 0 516.620 2.321 20 5 KEBDRN CCN(CC)S(=O)(=O)c1ccc(N2CCN(C(=O)CCS(=O)(=O)c3ccc(C)cc3)CC2)c([N+](=O)[O-])c1 ZINC000514377373 1066284587 /nfs/dbraw/zinc/28/45/87/1066284587.db2.gz SOBIBDVNJNSNOZ-UHFFFAOYSA-N 0 0 552.675 2.446 20 5 KEBDRN CCN(CC)S(=O)(=O)c1ccc(OCC(=O)N(C)CC(=O)Nc2cccc(OC)c2)c([N+](=O)[O-])c1 ZINC000514377379 1066284597 /nfs/dbraw/zinc/28/45/97/1066284597.db2.gz SSNRCNWTKTWBKA-UHFFFAOYSA-N 0 0 508.553 2.110 20 5 KEBDRN CCN(CC)S(=O)(=O)c1ccc(N2CCN(C(=O)c3cccc(N4C(=O)CCC4=O)c3)CC2)c([N+](=O)[O-])c1 ZINC000514377544 1066286935 /nfs/dbraw/zinc/28/69/35/1066286935.db2.gz ZFKPTWAJLSXOHD-UHFFFAOYSA-N 0 0 543.602 2.241 20 5 KEBDRN CCN(CC)S(=O)(=O)c1ccc(N2CCN(C(=O)[C@@H](C)NC(=O)c3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000514377546 1066286955 /nfs/dbraw/zinc/28/69/55/1066286955.db2.gz ZKNRCCXUAQGEEI-GOSISDBHSA-N 0 0 517.608 2.092 20 5 KEBDRN CCN(CC)S(=O)(=O)c1ccc(N2CCN(C(=O)[C@H](C)NC(=O)c3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000514377547 1066286889 /nfs/dbraw/zinc/28/68/89/1066286889.db2.gz ZKNRCCXUAQGEEI-SFHVURJKSA-N 0 0 517.608 2.092 20 5 KEBDRN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC(C(=O)Nc2nc(CN3CCOCC3)cs2)CC1 ZINC000514377626 1066286466 /nfs/dbraw/zinc/28/64/66/1066286466.db2.gz CHYZBCVSURLCPT-UHFFFAOYSA-N 0 0 509.610 2.231 20 5 KEBDRN COc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H](C)SCC(=O)Nc3ccc(F)cc3)CC2)cc1[N+](=O)[O-] ZINC000514377635 1066286483 /nfs/dbraw/zinc/28/64/83/1066286483.db2.gz CVFFAYCTDUXMJP-HNNXBMFYSA-N 0 0 540.595 2.336 20 5 KEBDRN COc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H](C)SCC(=O)Nc3ccc(F)cc3)CC2)cc1[N+](=O)[O-] ZINC000514377636 1066286403 /nfs/dbraw/zinc/28/64/03/1066286403.db2.gz CVFFAYCTDUXMJP-OAHLLOKOSA-N 0 0 540.595 2.336 20 5 KEBDRN O=C(C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000514378401 1066287430 /nfs/dbraw/zinc/28/74/30/1066287430.db2.gz FGFNUOGZSNIIFW-UHFFFAOYSA-N 0 0 557.050 2.182 20 5 KEBDRN NS(=O)(=O)c1ccc(CNC(=O)C2CCN(c3ccc(S(=O)(=O)N4CCCCC4)cc3[N+](=O)[O-])CC2)s1 ZINC000514378468 1066289797 /nfs/dbraw/zinc/28/97/97/1066289797.db2.gz FYUWYUGGOCJAEH-UHFFFAOYSA-N 0 0 571.703 2.011 20 5 KEBDRN O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1CCN(S(=O)(=O)c2cccc3nsnc32)CC1 ZINC000514378841 1066289354 /nfs/dbraw/zinc/28/93/54/1066289354.db2.gz JBADPWPKUSGXQZ-UHFFFAOYSA-N 0 0 502.578 2.346 20 5 KEBDRN COc1ccc(S(=O)(=O)N2CCN(C(=O)c3cccc(S(=O)(=O)N4C[C@H](C)C[C@H](C)C4)c3)CC2)cc1[N+](=O)[O-] ZINC000514378865 1066289515 /nfs/dbraw/zinc/28/95/15/1066289515.db2.gz YNVQDAKGQDJUBU-KDURUIRLSA-N 0 0 580.685 2.417 20 5 KEBDRN COc1ccc(S(=O)(=O)N2CCN(C(=O)c3cccc(S(=O)(=O)N4C[C@@H](C)C[C@H](C)C4)c3)CC2)cc1[N+](=O)[O-] ZINC000514378867 1066289410 /nfs/dbraw/zinc/28/94/10/1066289410.db2.gz YNVQDAKGQDJUBU-OALUTQOASA-N 0 0 580.685 2.417 20 5 KEBDRN COc1ccc(S(=O)(=O)N2CCN(C(=O)c3cccc(S(=O)(=O)N4C[C@H](C)C[C@@H](C)C4)c3)CC2)cc1[N+](=O)[O-] ZINC000514378869 1066289451 /nfs/dbraw/zinc/28/94/51/1066289451.db2.gz YNVQDAKGQDJUBU-RTBURBONSA-N 0 0 580.685 2.417 20 5 KEBDRN CCOC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(NC4CC4)c([N+](=O)[O-])c3)CC2)cc1 ZINC000514379071 1066288862 /nfs/dbraw/zinc/28/88/62/1066288862.db2.gz OGIWTBOXHCVXSC-UHFFFAOYSA-N 0 0 502.549 2.493 20 5 KEBDRN C[C@@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)N2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)cc1 ZINC000514379142 1066288499 /nfs/dbraw/zinc/28/84/99/1066288499.db2.gz MWVJLBMINFVYPV-GOSISDBHSA-N 0 0 536.632 2.305 20 5 KEBDRN C[C@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)N2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)cc1 ZINC000514379143 1066288440 /nfs/dbraw/zinc/28/84/40/1066288440.db2.gz MWVJLBMINFVYPV-SFHVURJKSA-N 0 0 536.632 2.305 20 5 KEBDRN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC(C(=O)N2CC(=O)Nc3cc(S(=O)(=O)N4CCCCC4)ccc32)CC1 ZINC000514379269 1066288094 /nfs/dbraw/zinc/28/80/94/1066288094.db2.gz RRZQPEQYLAMBCK-UHFFFAOYSA-N 0 0 605.695 2.464 20 5 KEBDRN CCN(CC)S(=O)(=O)c1ccc(N2CCC(C(=O)NCCCN3C(=O)NC4(CCCC4)C3=O)CC2)c([N+](=O)[O-])c1 ZINC000514379279 1066288037 /nfs/dbraw/zinc/28/80/37/1066288037.db2.gz ONYKRWMODDITOU-UHFFFAOYSA-N 0 0 578.692 2.213 20 5 KEBDRN O=C(C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000514379293 1066287413 /nfs/dbraw/zinc/28/74/13/1066287413.db2.gz PAVCLJDUJARAKZ-UHFFFAOYSA-N 0 0 557.050 2.182 20 5 KEBDRN CC(C)N(C(C)C)S(=O)(=O)c1ccc(N2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)nc1 ZINC000514379553 1066294617 /nfs/dbraw/zinc/29/46/17/1066294617.db2.gz CZDRXACLRWTNGX-UHFFFAOYSA-N 0 0 511.626 2.308 20 5 KEBDRN CN1CCN(c2ccc(S(=O)(=O)N3CCCCC3)cc2NC(=O)CSc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000514379734 1066293180 /nfs/dbraw/zinc/29/31/80/1066293180.db2.gz XUKAWDMISPYICA-UHFFFAOYSA-N 0 0 576.701 2.351 20 5 KEBDRN O=C(c1ccc(S(=O)(=O)N2CCCCCC2)cc1)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000514379753 1066293259 /nfs/dbraw/zinc/29/32/59/1066293259.db2.gz UCUKUGMYBRJQKP-UHFFFAOYSA-N 0 0 536.632 2.306 20 5 KEBDRN CCN(CC)S(=O)(=O)c1ccc(N2CCC(C(=O)NCc3ccc(C(N)=O)cc3)CC2)c([N+](=O)[O-])c1 ZINC000514379887 1066292816 /nfs/dbraw/zinc/29/28/16/1066292816.db2.gz WFAAXNPWKGLARH-UHFFFAOYSA-N 0 0 517.608 2.257 20 5 KEBDRN CCN(CC)S(=O)(=O)c1ccc(N2CCN(S(=O)(=O)c3ccc(C(C)=O)cc3)CC2)c([N+](=O)[O-])c1 ZINC000514380097 1066291533 /nfs/dbraw/zinc/29/15/33/1066291533.db2.gz FFRVAYIAXFOTJT-UHFFFAOYSA-N 0 0 524.621 2.339 20 5 KEBDRN CCN(CC)S(=O)(=O)c1cc(C(=O)N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)ccc1C ZINC000514380198 1066291742 /nfs/dbraw/zinc/29/17/42/1066291742.db2.gz ZNBRABUOPITGTE-UHFFFAOYSA-N 0 0 524.621 2.080 20 5 KEBDRN Cc1c(NS(=O)(=O)c2ccc(N3CCN(C(=O)C(C)C)CC3)c([N+](=O)[O-])c2)c(=O)n(-c2ccccc2)n1C ZINC000514380254 1066290926 /nfs/dbraw/zinc/29/09/26/1066290926.db2.gz KMPZRMBZHLVCJW-UHFFFAOYSA-N 0 0 542.618 2.498 20 5 KEBDRN COc1ccc(S(=O)(=O)N2CCN(C[C@H](O)COc3cccc(Br)c3)CC2)cc1[N+](=O)[O-] ZINC000514380277 1066291115 /nfs/dbraw/zinc/29/11/15/1066291115.db2.gz HKIBMQKROUETGX-INIZCTEOSA-N 0 0 530.397 2.112 20 5 KEBDRN COc1ccc(S(=O)(=O)N2CCN(C[C@@H](O)COc3cccc(Br)c3)CC2)cc1[N+](=O)[O-] ZINC000514380282 1066290915 /nfs/dbraw/zinc/29/09/15/1066290915.db2.gz HKIBMQKROUETGX-MRXNPFEDSA-N 0 0 530.397 2.112 20 5 KEBDRN CCN(CC)S(=O)(=O)c1ccc(N2CCN(S(=O)(=O)c3cccc(C(C)=O)c3)CC2)c([N+](=O)[O-])c1 ZINC000514380289 1066291067 /nfs/dbraw/zinc/29/10/67/1066291067.db2.gz HPDAFFLIMACGJB-UHFFFAOYSA-N 0 0 524.621 2.339 20 5 KEBDRN CN(C)S(=O)(=O)c1ccc(N2CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)c([N+](=O)[O-])c1 ZINC000514380357 1066291039 /nfs/dbraw/zinc/29/10/39/1066291039.db2.gz MLBJXQXCVNBAFR-UHFFFAOYSA-N 0 0 522.527 2.375 20 5 KEBDRN COc1ccc(C(=O)NCC(=O)Nc2ccc(OC)c(S(=O)(=O)N3CCCCC3)c2)cc1[N+](=O)[O-] ZINC000514380393 1066323988 /nfs/dbraw/zinc/32/39/88/1066323988.db2.gz JMYHRNPRSXLXRC-UHFFFAOYSA-N 0 0 506.537 2.155 20 5 KEBDRN O=C(Nc1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccc(N2CCN(C(=O)[C@@H]3CCCO3)CC2)c([N+](=O)[O-])c1 ZINC000514380453 1066324755 /nfs/dbraw/zinc/32/47/55/1066324755.db2.gz LJTAOESZCPVFNU-DEOSSOPVSA-N 0 0 557.629 2.459 20 5 KEBDRN O=C(Nc1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccc(N2CCN(C(=O)[C@H]3CCCO3)CC2)c([N+](=O)[O-])c1 ZINC000514380456 1066324449 /nfs/dbraw/zinc/32/44/49/1066324449.db2.gz LJTAOESZCPVFNU-XMMPIXPASA-N 0 0 557.629 2.459 20 5 KEBDRN COC(=O)c1ccccc1S(=O)(=O)N1CCC(C(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)CC1 ZINC000514380614 1066276452 /nfs/dbraw/zinc/27/64/52/1066276452.db2.gz QGPYYNSHMITWNU-UHFFFAOYSA-N 0 0 516.576 2.131 20 5 KEBDRN CCCCn1c(N)c(N(CC(C)C)C(=O)CCC(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)c(=O)[nH]c1=O ZINC000514380669 1066277141 /nfs/dbraw/zinc/27/71/41/1066277141.db2.gz SIDHDNVDQWRHDX-UHFFFAOYSA-N 0 0 543.625 2.357 20 5 KEBDRN CC(C)(C)c1ccc(S(=O)(=O)NCCC(=O)N2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)cc1 ZINC000514380797 1066276063 /nfs/dbraw/zinc/27/60/63/1066276063.db2.gz QRZPEOHBOPANJZ-UHFFFAOYSA-N 0 0 538.648 2.094 20 5 KEBDRN CCN(CC)S(=O)(=O)c1ccc(N2CCN(C[C@@H](O)COc3ccccc3F)CC2)c([N+](=O)[O-])c1 ZINC000514380806 1066276006 /nfs/dbraw/zinc/27/60/06/1066276006.db2.gz QVQLCEJAHYXBIB-GOSISDBHSA-N 0 0 510.588 2.326 20 5 KEBDRN CCN(CC)S(=O)(=O)c1ccc(N2CCN(C[C@H](O)COc3ccccc3F)CC2)c([N+](=O)[O-])c1 ZINC000514380807 1066275890 /nfs/dbraw/zinc/27/58/90/1066275890.db2.gz QVQLCEJAHYXBIB-SFHVURJKSA-N 0 0 510.588 2.326 20 5 KEBDRN COc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H](CCSC)NS(=O)(=O)c3ccc(Br)cc3)CC2)cc1[N+](=O)[O-] ZINC000514380921 1066274733 /nfs/dbraw/zinc/27/47/33/1066274733.db2.gz RFNMSCIWYBBZKB-IBGZPJMESA-N 0 0 651.583 2.299 20 5 KEBDRN COc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H](CCSC)NS(=O)(=O)c3ccc(Br)cc3)CC2)cc1[N+](=O)[O-] ZINC000514380922 1066274840 /nfs/dbraw/zinc/27/48/40/1066274840.db2.gz RFNMSCIWYBBZKB-LJQANCHMSA-N 0 0 651.583 2.299 20 5 KEBDRN O=C(C1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000514381593 1066326155 /nfs/dbraw/zinc/32/61/55/1066326155.db2.gz KNFLHQSSRROTKE-UHFFFAOYSA-N 0 0 576.697 2.407 20 5 KEBDRN CCN(CC)S(=O)(=O)c1ccc(N2CCN(C(=O)CCC(=O)N3CC(=O)Nc4ccccc43)CC2)c([N+](=O)[O-])c1 ZINC000514381595 1066325937 /nfs/dbraw/zinc/32/59/37/1066325937.db2.gz KNZZXHJAAJZIJV-UHFFFAOYSA-N 0 0 572.644 2.039 20 5 KEBDRN O=C(C1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000514381719 1066325680 /nfs/dbraw/zinc/32/56/80/1066325680.db2.gz PMQHUUZMABBFCI-UHFFFAOYSA-N 0 0 562.670 2.017 20 5 KEBDRN COc1ccc(S(=O)(=O)N2CCN(C(=O)c3[nH]c(C)c(C(=O)OC(C)C)c3C)CC2)cc1[N+](=O)[O-] ZINC000514381739 1066325347 /nfs/dbraw/zinc/32/53/47/1066325347.db2.gz QDPAOHCSXDZFKW-UHFFFAOYSA-N 0 0 508.553 2.260 20 5 KEBDRN CCN(CC)S(=O)(=O)c1ccc(OCC(=O)N2CCN(C(=O)c3cccs3)CC2)c([N+](=O)[O-])c1 ZINC000514381965 1066325012 /nfs/dbraw/zinc/32/50/12/1066325012.db2.gz CHLUYHJVXSWMSU-UHFFFAOYSA-N 0 0 510.594 2.050 20 5 KEBDRN Cc1cccc(CN2CCN(C(=O)C3CCN(c4ccc(S(=O)(=O)N5CCOCC5)cc4[N+](=O)[O-])CC3)CC2)c1 ZINC000514382352 1066324661 /nfs/dbraw/zinc/32/46/61/1066324661.db2.gz KJMKTQGOSDKYIN-UHFFFAOYSA-N 0 0 571.700 2.485 20 5 KEBDRN CCc1ccccc1NC(=O)CN1CCN(C(=O)COc2ccc(S(=O)(=O)N(CC)CC)cc2[N+](=O)[O-])CC1 ZINC000514382829 1066297583 /nfs/dbraw/zinc/29/75/83/1066297583.db2.gz WNRFWFZOEDLDRP-UHFFFAOYSA-N 0 0 561.661 2.349 20 5 KEBDRN CCn1c2ccc(S(=O)(=O)N3CCOCC3)cc2nc1Sc1ccc(S(=O)(=O)NC)cc1[N+](=O)[O-] ZINC000514382864 1066297729 /nfs/dbraw/zinc/29/77/29/1066297729.db2.gz XBMOYJLVNSYNHS-UHFFFAOYSA-N 0 0 541.633 2.045 20 5 KEBDRN Cn1c(C[C@@H]2CCS(=O)(=O)C2)nnc1Sc1ccc(S(=O)(=O)N2CCCCCC2)cc1[N+](=O)[O-] ZINC000514382920 1066297600 /nfs/dbraw/zinc/29/76/00/1066297600.db2.gz YDRJUPUCKDXCRV-HNNXBMFYSA-N 0 0 529.666 2.416 20 5 KEBDRN Cn1c(C[C@H]2CCS(=O)(=O)C2)nnc1Sc1ccc(S(=O)(=O)N2CCCCCC2)cc1[N+](=O)[O-] ZINC000514382921 1066297771 /nfs/dbraw/zinc/29/77/71/1066297771.db2.gz YDRJUPUCKDXCRV-OAHLLOKOSA-N 0 0 529.666 2.416 20 5 KEBDRN COCCN(CCOC)C(=O)C1CCN(c2ccc(S(=O)(=O)N3CCCCC3)cc2[N+](=O)[O-])CC1 ZINC000514383216 1066296677 /nfs/dbraw/zinc/29/66/77/1066296677.db2.gz DUPYXWQNCSTIKG-UHFFFAOYSA-N 0 0 512.629 2.107 20 5 KEBDRN CCN(CC)S(=O)(=O)c1ccc(N2CCN(C(=O)CCCNC(=O)c3ccco3)CC2)c([N+](=O)[O-])c1 ZINC000514383240 1066296196 /nfs/dbraw/zinc/29/61/96/1066296196.db2.gz FJGNKWLPFIGXMU-UHFFFAOYSA-N 0 0 521.596 2.077 20 5 KEBDRN CC(=O)N1CCN(c2ccc(C(=O)N3CCN(S(=O)(=O)c4ccc(Br)cc4)CC3)cc2[N+](=O)[O-])CC1 ZINC000514383401 1066301147 /nfs/dbraw/zinc/30/11/47/1066301147.db2.gz DAZLCHDHPGFUQB-UHFFFAOYSA-N 0 0 580.461 2.173 20 5 KEBDRN CC(C)Nc1ccc(S(=O)(=O)NCC(=O)NCc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1[N+](=O)[O-] ZINC000514383421 1066301311 /nfs/dbraw/zinc/30/13/11/1066301311.db2.gz DHSCLDQBCUAPRT-UHFFFAOYSA-N 0 0 553.663 2.184 20 5 KEBDRN CC(=O)N1CCN(c2ccc(C(=O)N3CCN(S(=O)(=O)c4ccc(Cl)cc4)CC3)cc2[N+](=O)[O-])CC1 ZINC000514383903 1066300350 /nfs/dbraw/zinc/30/03/50/1066300350.db2.gz HNNRQLTXOMYVLM-UHFFFAOYSA-N 0 0 536.010 2.063 20 5 KEBDRN O=C(NCCNc1ccccc1[N+](=O)[O-])c1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCOCC1 ZINC000514384009 1066300367 /nfs/dbraw/zinc/30/03/67/1066300367.db2.gz OVELGQGDSYLODT-UHFFFAOYSA-N 0 0 517.608 2.448 20 5 KEBDRN COC(=O)c1sccc1NC(=O)C1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])CC1 ZINC000514384230 1066299134 /nfs/dbraw/zinc/29/91/34/1066299134.db2.gz RIIWRNLNKGZZHI-UHFFFAOYSA-N 0 0 538.604 2.319 20 5 KEBDRN CC(=O)N1CCN(c2ccc(C(=O)N(CC(C)C)c3c(N)n(Cc4ccccc4)c(=O)[nH]c3=O)cc2[N+](=O)[O-])CC1 ZINC000514384293 1066299081 /nfs/dbraw/zinc/29/90/81/1066299081.db2.gz MYURXMUKBWHNQT-UHFFFAOYSA-N 0 0 563.615 2.459 20 5 KEBDRN Cc1ccc(NS(=O)(=O)c2ccc(N3CCN([C@@H]4CCS(=O)(=O)C4)CC3)c([N+](=O)[O-])c2)c(C)c1 ZINC000514384490 1066304711 /nfs/dbraw/zinc/30/47/11/1066304711.db2.gz SVYVLMCBDNEDHN-GOSISDBHSA-N 0 0 508.622 2.322 20 5 KEBDRN Cc1ccc(NS(=O)(=O)c2ccc(N3CCN([C@H]4CCS(=O)(=O)C4)CC3)c([N+](=O)[O-])c2)c(C)c1 ZINC000514384491 1066305009 /nfs/dbraw/zinc/30/50/09/1066305009.db2.gz SVYVLMCBDNEDHN-SFHVURJKSA-N 0 0 508.622 2.322 20 5 KEBDRN COc1ccc([C@@H](CNC(=O)c2ccc(N3CCN(C(C)=O)CC3)c([N+](=O)[O-])c2)N2CCOCC2)cc1 ZINC000514384616 1066304115 /nfs/dbraw/zinc/30/41/15/1066304115.db2.gz RIXIYYGTPYNMET-RUZDIDTESA-N 0 0 511.579 2.075 20 5 KEBDRN COc1ccc([C@H](CNC(=O)c2ccc(N3CCN(C(C)=O)CC3)c([N+](=O)[O-])c2)N2CCOCC2)cc1 ZINC000514384617 1066304346 /nfs/dbraw/zinc/30/43/46/1066304346.db2.gz RIXIYYGTPYNMET-VWLOTQADSA-N 0 0 511.579 2.075 20 5 KEBDRN O=[N+]([O-])c1ccc(NCc2ccc(S(=O)(=O)N3CCCCC3)cc2)c(S(=O)(=O)N2CCOCC2)c1 ZINC000514384869 1066303252 /nfs/dbraw/zinc/30/32/52/1066303252.db2.gz VCNWDKILCYTFHV-UHFFFAOYSA-N 0 0 524.621 2.402 20 5 KEBDRN CCc1ccccc1NC(=O)CN1CCN(C(=O)c2ccc(N3CCN(C(C)=O)CC3)c([N+](=O)[O-])c2)CC1 ZINC000514384942 1066302630 /nfs/dbraw/zinc/30/26/30/1066302630.db2.gz XOTSQGBGLIISBC-UHFFFAOYSA-N 0 0 522.606 2.222 20 5 KEBDRN CCN(CC)S(=O)(=O)c1ccc(CCC(=O)N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)cc1 ZINC000514385403 1066305311 /nfs/dbraw/zinc/30/53/11/1066305311.db2.gz HJSZVQPHLMTJQY-UHFFFAOYSA-N 0 0 538.648 2.091 20 5 KEBDRN NS(=O)(=O)c1ccc(NC(=O)C2CCN(C(=O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)CC2)cc1 ZINC000514385709 1066306948 /nfs/dbraw/zinc/30/69/48/1066306948.db2.gz RZNWCWWBDBJFPP-UHFFFAOYSA-N 0 0 501.565 2.333 20 5 KEBDRN Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-] ZINC000514385714 1066306829 /nfs/dbraw/zinc/30/68/29/1066306829.db2.gz SBYQBXHPQYGJJD-UHFFFAOYSA-N 0 0 585.433 2.163 20 5 KEBDRN O=C(CN1CCN(c2ccc(C(=O)Nc3ccc(S(=O)(=O)N4CCCC4)cc3)cc2[N+](=O)[O-])CC1)NC1CC1 ZINC000514385734 1066306686 /nfs/dbraw/zinc/30/66/86/1066306686.db2.gz SMSAJKFPJQRRNN-UHFFFAOYSA-N 0 0 556.645 2.032 20 5 KEBDRN CCN(CC)S(=O)(=O)c1ccc(OCC(=O)Nc2ccc(S(=O)(=O)NCC(F)(F)F)cc2)c([N+](=O)[O-])c1 ZINC000514386800 1066310074 /nfs/dbraw/zinc/31/00/74/1066310074.db2.gz CQCVGPFWHWUSBI-UHFFFAOYSA-N 0 0 568.552 2.483 20 5 KEBDRN O=C(NCCCn1cnc2ccccc21)C1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])CC1 ZINC000514386843 1066310202 /nfs/dbraw/zinc/31/02/02/1066310202.db2.gz FIABQDYRGFFREW-UHFFFAOYSA-N 0 0 556.645 2.388 20 5 KEBDRN COc1ccc(S(=O)(=O)N2CCN(CC(=O)N(C)Cc3ccc(SC)cc3)CC2)cc1[N+](=O)[O-] ZINC000514386846 1066310164 /nfs/dbraw/zinc/31/01/64/1066310164.db2.gz FMXGDLAJASSEOI-UHFFFAOYSA-N 0 0 508.622 2.290 20 5 KEBDRN O=C(CCC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)NCCNc1ccccc1[N+](=O)[O-] ZINC000514386894 1066309767 /nfs/dbraw/zinc/30/97/67/1066309767.db2.gz HWEYNVCISHZWAK-UHFFFAOYSA-N 0 0 523.999 2.090 20 5 KEBDRN COc1ccc(S(=O)(=O)N2CCN(CCC(=O)Nc3ccc(N4CCCC4=O)cc3)CC2)cc1[N+](=O)[O-] ZINC000514386928 1066309673 /nfs/dbraw/zinc/30/96/73/1066309673.db2.gz ITLQJBZVTIJRTO-UHFFFAOYSA-N 0 0 531.591 2.065 20 5 KEBDRN CCCn1c(CCC(=O)NCCc2cc(OC)c(OC)cc2[N+](=O)[O-])nc2cc(S(N)(=O)=O)ccc21 ZINC000514386951 1066309798 /nfs/dbraw/zinc/30/97/98/1066309798.db2.gz AHUYVBZYDLTFSZ-UHFFFAOYSA-N 0 0 519.580 2.311 20 5 KEBDRN CCN(CC)S(=O)(=O)c1ccc(N2CCN(C(=O)c3ccccc3SCC(N)=O)CC2)c([N+](=O)[O-])c1 ZINC000514387013 1066309689 /nfs/dbraw/zinc/30/96/89/1066309689.db2.gz CJNJVIHQMHKTEL-UHFFFAOYSA-N 0 0 535.648 2.165 20 5 KEBDRN CS(=O)(=O)c1ccc(NCCNC(=O)c2ccc(S(=O)(=O)N3CCCCCC3)cc2)c([N+](=O)[O-])c1 ZINC000514387121 1066308670 /nfs/dbraw/zinc/30/86/70/1066308670.db2.gz CIRTZFPKTBLQMA-UHFFFAOYSA-N 0 0 524.621 2.405 20 5 KEBDRN Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCN(C)CC1 ZINC000514387173 1066309056 /nfs/dbraw/zinc/30/90/56/1066309056.db2.gz KBPNXOLQNSFBBG-UHFFFAOYSA-N 0 0 502.597 2.477 20 5 KEBDRN COc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000514387375 1066311217 /nfs/dbraw/zinc/31/12/17/1066311217.db2.gz FILCMYBFBOUJQW-UHFFFAOYSA-N 0 0 517.608 2.395 20 5 KEBDRN CC(C)[C@H](NC(=O)CN1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1)c1ccc2c(c1)OCCO2 ZINC000514387583 1066313996 /nfs/dbraw/zinc/31/39/96/1066313996.db2.gz PCUCDEJXVJILHG-DEOSSOPVSA-N 0 0 518.592 2.186 20 5 KEBDRN CC(C)[C@@H](NC(=O)CN1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1)c1ccc2c(c1)OCCO2 ZINC000514387585 1066314215 /nfs/dbraw/zinc/31/42/15/1066314215.db2.gz PCUCDEJXVJILHG-XMMPIXPASA-N 0 0 518.592 2.186 20 5 KEBDRN CN1CCN(S(=O)(=O)c2ccc(N3CCC(C(=O)Nc4ccccc4O)CC3)c([N+](=O)[O-])c2)CC1 ZINC000514387600 1066313976 /nfs/dbraw/zinc/31/39/76/1066313976.db2.gz KEZBHVKKHXRFNM-UHFFFAOYSA-N 0 0 503.581 2.092 20 5 KEBDRN COc1cc(CCNC(=O)c2cccc(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)c2)c([N+](=O)[O-])cc1OC ZINC000514387602 1066314067 /nfs/dbraw/zinc/31/40/67/1066314067.db2.gz KHQFOVBTMNJPHC-HOTGVXAUSA-N 0 0 507.565 2.382 20 5 KEBDRN COc1cc(CCNC(=O)c2cccc(S(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)c2)c([N+](=O)[O-])cc1OC ZINC000514387603 1066314658 /nfs/dbraw/zinc/31/46/58/1066314658.db2.gz KHQFOVBTMNJPHC-HZPDHXFCSA-N 0 0 507.565 2.382 20 5 KEBDRN COc1cc(CCNC(=O)c2cccc(S(=O)(=O)N3C[C@@H](C)O[C@@H](C)C3)c2)c([N+](=O)[O-])cc1OC ZINC000514387604 1066314621 /nfs/dbraw/zinc/31/46/21/1066314621.db2.gz KHQFOVBTMNJPHC-IYBDPMFKSA-N 0 0 507.565 2.382 20 5 KEBDRN COc1ccccc1C(=O)N[C@H](CCSC)C(=O)NCCNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000514387650 1066314198 /nfs/dbraw/zinc/31/41/98/1066314198.db2.gz HNSPVVCIUUMRNW-GOSISDBHSA-N 0 0 524.621 2.087 20 5 KEBDRN COc1ccccc1C(=O)N[C@@H](CCSC)C(=O)NCCNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000514387651 1066313879 /nfs/dbraw/zinc/31/38/79/1066313879.db2.gz HNSPVVCIUUMRNW-SFHVURJKSA-N 0 0 524.621 2.087 20 5 KEBDRN COc1ccc(S(=O)(=O)N2CCN(C(=O)CCc3nc(-c4cccs4)no3)CC2)cc1[N+](=O)[O-] ZINC000514387692 1066313581 /nfs/dbraw/zinc/31/35/81/1066313581.db2.gz IQZKMNYQUMYMIA-UHFFFAOYSA-N 0 0 507.550 2.181 20 5 KEBDRN CS(=O)(=O)c1ccc(N2CCN(C(=O)CNS(=O)(=O)c3ccc(Cl)c(C(F)(F)F)c3)CC2)c([N+](=O)[O-])c1 ZINC000514387742 1066313486 /nfs/dbraw/zinc/31/34/86/1066313486.db2.gz PSIGFKHNWGWVKM-UHFFFAOYSA-N 0 0 584.982 2.298 20 5 KEBDRN Cc1ccc(NC(=O)CCNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])cc1S(=O)(=O)N1CCCCC1 ZINC000514387837 1066313004 /nfs/dbraw/zinc/31/30/04/1066313004.db2.gz SBPLVONKLVBHDF-UHFFFAOYSA-N 0 0 525.609 2.166 20 5 KEBDRN C[C@H]1CCCN(S(=O)(=O)c2ccc(C(=O)NCCNc3ccc(S(C)(=O)=O)cc3[N+](=O)[O-])cc2)C1 ZINC000514388001 1066312787 /nfs/dbraw/zinc/31/27/87/1066312787.db2.gz LICZGTPHOPHZLF-INIZCTEOSA-N 0 0 524.621 2.261 20 5 KEBDRN C[C@@H]1CCCN(S(=O)(=O)c2ccc(C(=O)NCCNc3ccc(S(C)(=O)=O)cc3[N+](=O)[O-])cc2)C1 ZINC000514388002 1066312645 /nfs/dbraw/zinc/31/26/45/1066312645.db2.gz LICZGTPHOPHZLF-MRXNPFEDSA-N 0 0 524.621 2.261 20 5 KEBDRN CCN(CC)S(=O)(=O)c1ccc(N2C[C@H](C(=O)NCCc3cc(OC)c(OC)cc3[N+](=O)[O-])CC2=O)cc1 ZINC000514388075 1066311946 /nfs/dbraw/zinc/31/19/46/1066311946.db2.gz OMXSOTFEAXXANM-GOSISDBHSA-N 0 0 548.618 2.354 20 5 KEBDRN CCN(CC)S(=O)(=O)c1ccc(N2C[C@@H](C(=O)NCCc3cc(OC)c(OC)cc3[N+](=O)[O-])CC2=O)cc1 ZINC000514388076 1066312102 /nfs/dbraw/zinc/31/21/02/1066312102.db2.gz OMXSOTFEAXXANM-SFHVURJKSA-N 0 0 548.618 2.354 20 5 KEBDRN CCOc1ccc(NC(=O)c2ccc(N3CCN(C(C)=O)CC3)c([N+](=O)[O-])c2)cc1S(=O)(=O)N(C)C ZINC000514388209 1066311727 /nfs/dbraw/zinc/31/17/27/1066311727.db2.gz WZKRMZWRHLWXQP-UHFFFAOYSA-N 0 0 519.580 2.165 20 5 KEBDRN CCOc1ccccc1C(=O)NCCCC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000514388301 1066311468 /nfs/dbraw/zinc/31/14/68/1066311468.db2.gz NHZVKGPQINTGNG-UHFFFAOYSA-N 0 0 504.565 2.037 20 5 KEBDRN CCN(CC)S(=O)(=O)c1ccc(C)c(C(=O)NCCNc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])c1 ZINC000514388330 1066311550 /nfs/dbraw/zinc/31/15/50/1066311550.db2.gz OOBAVMUSFVKZAR-UHFFFAOYSA-N 0 0 512.610 2.179 20 5 KEBDRN CCOC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)c3cc(OC)c(OCC)cc3[N+](=O)[O-])CC2)cc1 ZINC000514388528 1066316622 /nfs/dbraw/zinc/31/66/22/1066316622.db2.gz ZWOVTGCTYYEINV-UHFFFAOYSA-N 0 0 521.548 2.326 20 5 KEBDRN COC(=O)c1csc(S(=O)(=O)N2CCN(C(=O)C3CCN(c4ccccc4[N+](=O)[O-])CC3)CC2)c1 ZINC000514388698 1066317409 /nfs/dbraw/zinc/31/74/09/1066317409.db2.gz WWDHSWQYAAIWAL-UHFFFAOYSA-N 0 0 522.605 2.192 20 5 KEBDRN CC(C)OC(=O)C[C@H](NC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccccc1[N+](=O)[O-] ZINC000514389193 1066314964 /nfs/dbraw/zinc/31/49/64/1066314964.db2.gz BTSWPHNGKVTJJK-FQEVSTJZSA-N 0 0 505.549 2.429 20 5 KEBDRN CC(C)OC(=O)C[C@@H](NC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccccc1[N+](=O)[O-] ZINC000514389194 1066314927 /nfs/dbraw/zinc/31/49/27/1066314927.db2.gz BTSWPHNGKVTJJK-HXUWFJFHSA-N 0 0 505.549 2.429 20 5 KEBDRN COc1cc(CCNC(=O)CCc2nc3cc(S(=O)(=O)N(C)C)ccc3n2C)c([N+](=O)[O-])cc1OC ZINC000514389328 1066317320 /nfs/dbraw/zinc/31/73/20/1066317320.db2.gz DPRDVFHIHCVQBP-UHFFFAOYSA-N 0 0 519.580 2.041 20 5 KEBDRN CCN(CC)S(=O)(=O)c1ccc(N2CCC(C(=O)N3CCN(Cc4cc(C)no4)CC3)CC2)c([N+](=O)[O-])c1 ZINC000514390261 1066317877 /nfs/dbraw/zinc/31/78/77/1066317877.db2.gz DEVOUSZXTXYTJN-UHFFFAOYSA-N 0 0 548.666 2.483 20 5 KEBDRN CC(C)Nc1ccc(S(=O)(=O)NCC(=O)NC2CCN(C(=O)c3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000514390516 1066321791 /nfs/dbraw/zinc/32/17/91/1066321791.db2.gz MLGBREOVPMAROH-UHFFFAOYSA-N 0 0 503.581 2.114 20 5 KEBDRN Cc1noc(C)c1S(=O)(=O)N1CCCN(C(=O)c2ccc(Sc3nncn3C)c([N+](=O)[O-])c2)CC1 ZINC000514390592 1066321645 /nfs/dbraw/zinc/32/16/45/1066321645.db2.gz QATXXKIKHNDMST-UHFFFAOYSA-N 0 0 521.581 2.016 20 5 KEBDRN COCCOc1cc([N+](=O)[O-])c(C(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3F)CC2)cc1OC ZINC000514391082 1066319937 /nfs/dbraw/zinc/31/99/37/1066319937.db2.gz FORMDJIORZFKFP-UHFFFAOYSA-N 0 0 515.491 2.054 20 5 KEBDRN CCN(CC)S(=O)(=O)c1ccc(N2CCN(C(=O)c3cc(S(=O)(=O)NC4CC4)ccc3C)CC2)c([N+](=O)[O-])c1 ZINC000514391303 1066322324 /nfs/dbraw/zinc/32/23/24/1066322324.db2.gz GJSMVNOFXDZHMF-UHFFFAOYSA-N 0 0 579.701 2.337 20 5 KEBDRN O=C(NC1CC1)c1ccc(NC(=O)C2CCN(c3ccc(S(=O)(=O)N4CCOCC4)cc3[N+](=O)[O-])CC2)cc1 ZINC000514391529 1066322917 /nfs/dbraw/zinc/32/29/17/1066322917.db2.gz KRGVZOLXGBCNEO-UHFFFAOYSA-N 0 0 557.629 2.363 20 5 KEBDRN CCN(CC)S(=O)(=O)c1ccc(CNc2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])s1 ZINC000514391619 1066322982 /nfs/dbraw/zinc/32/29/82/1066322982.db2.gz MHZRMLSNNVWNJL-UHFFFAOYSA-N 0 0 518.639 2.320 20 5 KEBDRN COc1cc(C=c2sc(=CC(=O)C(C)(C)C)n(CC(=O)N[C@@H]3CCCC[C@@H]3C)c2=O)c([N+](=O)[O-])cc1O ZINC000514391723 1066337892 /nfs/dbraw/zinc/33/78/92/1066337892.db2.gz POYDVZCDOBULDO-DOTOQJQBSA-N 0 0 531.631 2.452 20 5 KEBDRN COc1cc(C=c2sc(=CC(=O)C(C)(C)C)n(CC(=O)N[C@@H]3CCCC[C@H]3C)c2=O)c([N+](=O)[O-])cc1O ZINC000514391725 1066337727 /nfs/dbraw/zinc/33/77/27/1066337727.db2.gz POYDVZCDOBULDO-NVXWUHKLSA-N 0 0 531.631 2.452 20 5 KEBDRN COc1cc(C=c2sc(=CC(=O)C(C)(C)C)n(CC(=O)N[C@H]3CCCC[C@@H]3C)c2=O)c([N+](=O)[O-])cc1O ZINC000514391726 1066337690 /nfs/dbraw/zinc/33/76/90/1066337690.db2.gz POYDVZCDOBULDO-RDJZCZTQSA-N 0 0 531.631 2.452 20 5 KEBDRN COc1cc(C=c2sc(=CC(=O)C(C)(C)C)n(CC(=O)N[C@H]3CCCC[C@H]3C)c2=O)c([N+](=O)[O-])cc1O ZINC000514391727 1066337854 /nfs/dbraw/zinc/33/78/54/1066337854.db2.gz POYDVZCDOBULDO-WBVHZDCISA-N 0 0 531.631 2.452 20 5 KEBDRN O=C(Nc1ccccc1)[C@H]1CCCN(c2ccc(S(=O)(=O)NCCN3CCOCC3)cc2[N+](=O)[O-])C1 ZINC000514391801 1066338304 /nfs/dbraw/zinc/33/83/04/1066338304.db2.gz QRANQBRMNMDGPS-IBGZPJMESA-N 0 0 517.608 2.060 20 5 KEBDRN O=C(Nc1ccccc1)[C@@H]1CCCN(c2ccc(S(=O)(=O)NCCN3CCOCC3)cc2[N+](=O)[O-])C1 ZINC000514391802 1066338258 /nfs/dbraw/zinc/33/82/58/1066338258.db2.gz QRANQBRMNMDGPS-LJQANCHMSA-N 0 0 517.608 2.060 20 5 KEBDRN NS(=O)(=O)c1cccc(NC(=O)CCN2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)c1 ZINC000514392311 1066323696 /nfs/dbraw/zinc/32/36/96/1066323696.db2.gz UOXBRTGCTRXTCK-UHFFFAOYSA-N 0 0 501.487 2.412 20 5 KEBDRN CCN(CC)S(=O)(=O)c1ccc(OCC(=O)N2CCC(NC(=O)c3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000514392506 1066341010 /nfs/dbraw/zinc/34/10/10/1066341010.db2.gz WZGSWGAVELMRKQ-UHFFFAOYSA-N 0 0 518.592 2.425 20 5 KEBDRN COCCOc1cc([N+](=O)[O-])c(C(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)cc1OC ZINC000514392628 1066340223 /nfs/dbraw/zinc/34/02/23/1066340223.db2.gz ZSHPPIJIAAYPPE-UHFFFAOYSA-N 0 0 513.956 2.429 20 5 KEBDRN O=C(CCc1nc2sc3c(c2c(=O)[nH]1)CCC3)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000514392762 1066339947 /nfs/dbraw/zinc/33/99/47/1066339947.db2.gz AUYHPGLUUHSHIG-UHFFFAOYSA-N 0 0 517.589 2.260 20 5 KEBDRN CS(=O)(=O)c1ccc(NCCNC(=O)CCc2nc3sc4c(c3c(=O)[nH]2)CCC4)c([N+](=O)[O-])c1 ZINC000514392839 1066339587 /nfs/dbraw/zinc/33/95/87/1066339587.db2.gz DTNCBQWAUSQJSU-UHFFFAOYSA-N 0 0 505.578 2.358 20 5 KEBDRN O=C(CN1CCC(Nc2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCOCC2)CC1)Nc1ccccc1 ZINC000514393053 1066339182 /nfs/dbraw/zinc/33/91/82/1066339182.db2.gz MELBHGKMUJWFNT-UHFFFAOYSA-N 0 0 503.581 2.131 20 5 KEBDRN CCN(CC)S(=O)(=O)c1ccc(CNC(=O)COc2ccc(S(=O)(=O)N(CC)CC)cc2[N+](=O)[O-])s1 ZINC000514393234 1066338349 /nfs/dbraw/zinc/33/83/49/1066338349.db2.gz TWUDUGKLTXYBMR-UHFFFAOYSA-N 0 0 562.692 2.413 20 5 KEBDRN COc1ccc(S(=O)(=O)N2CCN(C(=O)CCc3nc4sc5c(c4c(=O)[nH]3)CCC5)CC2)cc1[N+](=O)[O-] ZINC000514393237 1066338270 /nfs/dbraw/zinc/33/82/70/1066338270.db2.gz UBNULJLNZIMRQT-UHFFFAOYSA-N 0 0 547.615 2.268 20 5 KEBDRN CCN(CC)S(=O)(=O)c1ccc(N2CCC(C(=O)NCc3ccccc3S(=O)(=O)N(C)C)CC2)c([N+](=O)[O-])c1 ZINC000514393340 1066338185 /nfs/dbraw/zinc/33/81/85/1066338185.db2.gz XGWHFBOVQOPVNA-UHFFFAOYSA-N 0 0 581.717 2.408 20 5 KEBDRN CC(C)Nc1ccc(S(=O)(=O)NCC(=O)NCc2ccccc2S(=O)(=O)N2CCCCC2)cc1[N+](=O)[O-] ZINC000514393498 1066344362 /nfs/dbraw/zinc/34/43/62/1066344362.db2.gz CPUOPCZHUBFANP-UHFFFAOYSA-N 0 0 553.663 2.184 20 5 KEBDRN CCN(CC)S(=O)(=O)c1ccc(OCC(=O)Nc2ccc(N3CCCS3(=O)=O)cc2)c([N+](=O)[O-])c1 ZINC000514393503 1066344286 /nfs/dbraw/zinc/34/42/86/1066344286.db2.gz CWLROROFLHMEAT-UHFFFAOYSA-N 0 0 526.593 2.183 20 5 KEBDRN Cc1ccc(S(=O)(=O)N2CCC(Nc3ccc(S(=O)(=O)N4CCN(C)CC4)cc3[N+](=O)[O-])CC2)cc1 ZINC000514393787 1066342807 /nfs/dbraw/zinc/34/28/07/1066342807.db2.gz KHKBJUJCIMQFRZ-UHFFFAOYSA-N 0 0 537.664 2.105 20 5 KEBDRN O=C(NCc1cnn(-c2ccccc2)c1)C1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])CC1 ZINC000514393866 1066343299 /nfs/dbraw/zinc/34/32/99/1066343299.db2.gz NMKZHAVXQZFUHZ-UHFFFAOYSA-N 0 0 554.629 2.334 20 5 KEBDRN COc1ccc(S(=O)(=O)N2CCN(C(=O)c3cccc(OC[C@@H]4CCCO4)c3)CC2)cc1[N+](=O)[O-] ZINC000514393879 1066343414 /nfs/dbraw/zinc/34/34/14/1066343414.db2.gz AIKMUDJBWUIHTB-IBGZPJMESA-N 0 0 505.549 2.308 20 5 KEBDRN COc1ccc(S(=O)(=O)N2CCN(C(=O)c3cccc(OC[C@H]4CCCO4)c3)CC2)cc1[N+](=O)[O-] ZINC000514393880 1066343382 /nfs/dbraw/zinc/34/33/82/1066343382.db2.gz AIKMUDJBWUIHTB-LJQANCHMSA-N 0 0 505.549 2.308 20 5 KEBDRN CCOC(=O)c1ccc(S(=O)(=O)N2CCN(CCC(=O)Nc3ccc([N+](=O)[O-])cc3OC)CC2)cc1 ZINC000514393927 1066342950 /nfs/dbraw/zinc/34/29/50/1066342950.db2.gz BMOROUNMGWZYGW-UHFFFAOYSA-N 0 0 520.564 2.115 20 5 KEBDRN O=C([C@@H]1CCCN1S(=O)(=O)c1ccc(Br)cc1)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000514394073 1066342263 /nfs/dbraw/zinc/34/22/63/1066342263.db2.gz OADDVBXXINBDQZ-FQEVSTJZSA-N 0 0 587.474 2.044 20 5 KEBDRN O=C([C@H]1CCCN1S(=O)(=O)c1ccc(Br)cc1)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000514394074 1066342158 /nfs/dbraw/zinc/34/21/58/1066342158.db2.gz OADDVBXXINBDQZ-HXUWFJFHSA-N 0 0 587.474 2.044 20 5 KEBDRN O=[N+]([O-])c1ccc(NCc2ccccc2S(=O)(=O)N2CCCCC2)c(S(=O)(=O)N2CCOCC2)c1 ZINC000514394104 1066342200 /nfs/dbraw/zinc/34/22/00/1066342200.db2.gz PGKKWWPIDHUOGM-UHFFFAOYSA-N 0 0 524.621 2.402 20 5 KEBDRN COc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(OCC(F)(F)F)nc3)CC2)cc1[N+](=O)[O-] ZINC000514394122 1066342010 /nfs/dbraw/zinc/34/20/10/1066342010.db2.gz PZSAEWCRGGXCOG-UHFFFAOYSA-N 0 0 504.443 2.086 20 5 KEBDRN CCN(CC)C(=O)c1cccc(NC(=O)CN2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)c1 ZINC000514400802 1066328073 /nfs/dbraw/zinc/32/80/73/1066328073.db2.gz ARLXVKQLIGELIT-UHFFFAOYSA-N 0 0 503.581 2.022 20 5 KEBDRN NS(=O)(=O)c1ccc(NCCC(=O)N2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)c([N+](=O)[O-])c1 ZINC000514400996 1066327384 /nfs/dbraw/zinc/32/73/84/1066327384.db2.gz IEIPHROILYQJEK-UHFFFAOYSA-N 0 0 536.920 2.460 20 5 KEBDRN CS(=O)(=O)c1ccc(N2CCN(CCC(=O)Nc3ccc(N4CCCC4=O)cc3)CC2)c([N+](=O)[O-])c1 ZINC000514401022 1066327657 /nfs/dbraw/zinc/32/76/57/1066327657.db2.gz JFCOUZLKQXBJBQ-UHFFFAOYSA-N 0 0 515.592 2.276 20 5 KEBDRN CCN(CC)S(=O)(=O)c1ccc(OCC(=O)N2CCN(Cc3cc(F)ccc3OC)CC2)c([N+](=O)[O-])c1 ZINC000514401165 1066326910 /nfs/dbraw/zinc/32/69/10/1066326910.db2.gz NYZZEBAHAPFQRK-UHFFFAOYSA-N 0 0 538.598 2.496 20 5 KEBDRN CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)NCCNc3ccc(C(F)(F)F)cc3[N+](=O)[O-])cc2)CC1 ZINC000514401326 1066326604 /nfs/dbraw/zinc/32/66/04/1066326604.db2.gz UEVPMDAHVCEWIO-UHFFFAOYSA-N 0 0 543.524 2.308 20 5 KEBDRN COc1ccc(S(=O)(=O)N2CCN(CC(=O)N(Cc3ccco3)CC(F)(F)F)CC2)cc1[N+](=O)[O-] ZINC000514401360 1066326459 /nfs/dbraw/zinc/32/64/59/1066326459.db2.gz VITFUJZHYGRTCF-UHFFFAOYSA-N 0 0 520.486 2.094 20 5 KEBDRN COc1ccc(S(=O)(=O)N2CCN(C(=O)Cc3cc4c(cc3Br)OCCO4)CC2)cc1[N+](=O)[O-] ZINC000514401509 1066331049 /nfs/dbraw/zinc/33/10/49/1066331049.db2.gz XIXHNQORLQDKIF-UHFFFAOYSA-N 0 0 556.391 2.213 20 5 KEBDRN COC(=O)c1ccc(S(=O)(=O)N2CCc3cc(S(=O)(=O)N4CCCCC4)ccc32)c([N+](=O)[O-])c1 ZINC000514401839 1066330590 /nfs/dbraw/zinc/33/05/90/1066330590.db2.gz GKZBAGMCDLBVLJ-UHFFFAOYSA-N 0 0 509.562 2.307 20 5 KEBDRN CS(=O)(=O)c1ccc(NCCNC(=O)C2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)c([N+](=O)[O-])c1 ZINC000514401968 1066329862 /nfs/dbraw/zinc/32/98/62/1066329862.db2.gz DLKOOOCOKASDFR-UHFFFAOYSA-N 0 0 545.039 2.281 20 5 KEBDRN O=C(c1ccc2c(c1)OCO2)N1CCN(c2ccc(S(=O)(=O)N3CCCCC3)cc2[N+](=O)[O-])CC1 ZINC000514402016 1066329547 /nfs/dbraw/zinc/32/95/47/1066329547.db2.gz JIDLEVCCXQCJPK-UHFFFAOYSA-N 0 0 502.549 2.461 20 5 KEBDRN Cc1ccc(NS(=O)(=O)c2ccc(NCC(=O)N3CCN(CC(=O)NC(C)C)CC3)c([N+](=O)[O-])c2)c(C)c1 ZINC000514402069 1066328795 /nfs/dbraw/zinc/32/87/95/1066328795.db2.gz DMILUEIWUWAJIM-UHFFFAOYSA-N 0 0 546.650 2.093 20 5 KEBDRN COc1ccc(S(=O)(=O)N2CCN(C(=O)CCc3nc(-c4ccsc4)no3)CC2)cc1[N+](=O)[O-] ZINC000514402369 1066328509 /nfs/dbraw/zinc/32/85/09/1066328509.db2.gz GXAAYJMWYPFVBV-UHFFFAOYSA-N 0 0 507.550 2.181 20 5 KEBDRN COc1ccc(S(=O)(=O)N2CCN(C(=O)c3cccc(S(=O)(=O)N4CCCC[C@H]4C)c3)CC2)cc1[N+](=O)[O-] ZINC000514402401 1066334490 /nfs/dbraw/zinc/33/44/90/1066334490.db2.gz IICCNUCBKKIJEH-GOSISDBHSA-N 0 0 566.658 2.313 20 5 KEBDRN COc1ccc(S(=O)(=O)N2CCN(C(=O)c3cccc(S(=O)(=O)N4CCCC[C@@H]4C)c3)CC2)cc1[N+](=O)[O-] ZINC000514402402 1066334604 /nfs/dbraw/zinc/33/46/04/1066334604.db2.gz IICCNUCBKKIJEH-SFHVURJKSA-N 0 0 566.658 2.313 20 5 KEBDRN COc1ccc(S(=O)(=O)N2CCC(C(=O)NCCc3cc(OC)c(OC)cc3[N+](=O)[O-])CC2)cc1 ZINC000514402449 1066334360 /nfs/dbraw/zinc/33/43/60/1066334360.db2.gz JDLQZDLBUFFCBK-UHFFFAOYSA-N 0 0 507.565 2.380 20 5 KEBDRN CC1CCN(S(=O)(=O)c2ccc(C(=O)N3CCN(S(=O)(=O)c4ccc([N+](=O)[O-])cc4)CC3)cc2)CC1 ZINC000514402668 1066333342 /nfs/dbraw/zinc/33/33/42/1066333342.db2.gz KFRNNRBBRVIWSC-UHFFFAOYSA-N 0 0 536.632 2.162 20 5 KEBDRN O=C(CN1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1)Nc1cc2c(cc1Cl)OCCCO2 ZINC000514402673 1066333583 /nfs/dbraw/zinc/33/35/83/1066333583.db2.gz KMGYPHNVGFZYTH-UHFFFAOYSA-N 0 0 510.956 2.355 20 5 KEBDRN Cc1sc2nc(SCC(=O)N3CCN(S(=O)(=O)c4cccc([N+](=O)[O-])c4)CC3)n(C)c(=O)c2c1C ZINC000514402729 1066333121 /nfs/dbraw/zinc/33/31/21/1066333121.db2.gz LNDDQOZMEBBETA-UHFFFAOYSA-N 0 0 537.645 2.145 20 5 KEBDRN COC(=O)c1csc(S(=O)(=O)N2CCN(S(=O)(=O)c3cc(Cl)c(C)c([N+](=O)[O-])c3)CC2)c1 ZINC000514402858 1066333009 /nfs/dbraw/zinc/33/30/09/1066333009.db2.gz GHPUVNJWWCDBMS-UHFFFAOYSA-N 0 0 523.998 2.100 20 5 KEBDRN O=C(Cc1cc2c(cc1Br)OCCO2)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000514403022 1066332404 /nfs/dbraw/zinc/33/24/04/1066332404.db2.gz PBWNRUFHPVQBGN-UHFFFAOYSA-N 0 0 526.365 2.204 20 5 KEBDRN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCN(C[C@H](O)COc3ccc(Br)cc3)CC2)cc1 ZINC000514403523 1066334506 /nfs/dbraw/zinc/33/45/06/1066334506.db2.gz LYEURQGPOLYSOE-KRWDZBQOSA-N 0 0 500.371 2.104 20 5 KEBDRN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCN(C[C@@H](O)COc3ccc(Br)cc3)CC2)cc1 ZINC000514403524 1066335059 /nfs/dbraw/zinc/33/50/59/1066335059.db2.gz LYEURQGPOLYSOE-QGZVFWFLSA-N 0 0 500.371 2.104 20 5 KEBDRN CC(C)N(C(C)C)S(=O)(=O)c1ccc(N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)nc1 ZINC000514403531 1066337511 /nfs/dbraw/zinc/33/75/11/1066337511.db2.gz MATUZWUCVANHOW-UHFFFAOYSA-N 0 0 511.626 2.308 20 5 KEBDRN CC(C)OC(=O)C[C@@H](NC(=O)Cc1ccc(S(=O)(=O)N2CCOCC2)s1)c1ccccc1[N+](=O)[O-] ZINC000514403602 1066336817 /nfs/dbraw/zinc/33/68/17/1066336817.db2.gz VQDVYNIWUBYUIM-GOSISDBHSA-N 0 0 525.605 2.419 20 5 KEBDRN CC(C)OC(=O)C[C@H](NC(=O)Cc1ccc(S(=O)(=O)N2CCOCC2)s1)c1ccccc1[N+](=O)[O-] ZINC000514403603 1066336644 /nfs/dbraw/zinc/33/66/44/1066336644.db2.gz VQDVYNIWUBYUIM-SFHVURJKSA-N 0 0 525.605 2.419 20 5 KEBDRN O=C(COc1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-])N1CCN(Cc2cccc3ccccc32)CC1 ZINC000514403629 1066336849 /nfs/dbraw/zinc/33/68/49/1066336849.db2.gz WGQFKIHLDFDBND-UHFFFAOYSA-N 0 0 554.625 2.492 20 5 KEBDRN CCN(CC)S(=O)(=O)c1ccc(N2CCN(C(=O)c3sccc3S(=O)(=O)N3CCCC3)CC2)c([N+](=O)[O-])c1 ZINC000514403771 1066336316 /nfs/dbraw/zinc/33/63/16/1066336316.db2.gz PRJZVWPQZIIHOM-UHFFFAOYSA-N 0 0 585.730 2.434 20 5 KEBDRN COc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(S(=O)(=O)N4C[C@H](C)C[C@H](C)C4)cc3)CC2)cc1[N+](=O)[O-] ZINC000514403803 1066336987 /nfs/dbraw/zinc/33/69/87/1066336987.db2.gz QQFYPEBEKKRGIV-KDURUIRLSA-N 0 0 580.685 2.417 20 5 KEBDRN COc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(S(=O)(=O)N4C[C@@H](C)C[C@H](C)C4)cc3)CC2)cc1[N+](=O)[O-] ZINC000514403804 1066337027 /nfs/dbraw/zinc/33/70/27/1066337027.db2.gz QQFYPEBEKKRGIV-OALUTQOASA-N 0 0 580.685 2.417 20 5 KEBDRN COc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(S(=O)(=O)N4C[C@H](C)C[C@@H](C)C4)cc3)CC2)cc1[N+](=O)[O-] ZINC000514403805 1066336691 /nfs/dbraw/zinc/33/66/91/1066336691.db2.gz QQFYPEBEKKRGIV-RTBURBONSA-N 0 0 580.685 2.417 20 5 KEBDRN COc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(OC[C@@H]4CCCO4)cc3)CC2)cc1[N+](=O)[O-] ZINC000514403944 1066335874 /nfs/dbraw/zinc/33/58/74/1066335874.db2.gz UQHMOEDXENDWAQ-IBGZPJMESA-N 0 0 505.549 2.308 20 5 KEBDRN COc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(OC[C@H]4CCCO4)cc3)CC2)cc1[N+](=O)[O-] ZINC000514403945 1066336500 /nfs/dbraw/zinc/33/65/00/1066336500.db2.gz UQHMOEDXENDWAQ-LJQANCHMSA-N 0 0 505.549 2.308 20 5 KEBDRN COc1cc(C=c2sc(=CC(=O)C(C)(C)C)n(CC(=O)N3CCC[C@H](C)C3)c2=O)c([N+](=O)[O-])cc1O ZINC000514404075 1066336010 /nfs/dbraw/zinc/33/60/10/1066336010.db2.gz XTKIYJVWXAKTLF-HNNXBMFYSA-N 0 0 517.604 2.015 20 5 KEBDRN COc1cc(C=c2sc(=CC(=O)C(C)(C)C)n(CC(=O)N3CCC[C@@H](C)C3)c2=O)c([N+](=O)[O-])cc1O ZINC000514404076 1066335820 /nfs/dbraw/zinc/33/58/20/1066335820.db2.gz XTKIYJVWXAKTLF-OAHLLOKOSA-N 0 0 517.604 2.015 20 5 KEBDRN CCN(CC)S(=O)(=O)c1cc(C(=O)N2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)ccc1C ZINC000514404243 1066335230 /nfs/dbraw/zinc/33/52/30/1066335230.db2.gz DEBVPBGFQRTCBA-UHFFFAOYSA-N 0 0 524.621 2.080 20 5 KEBDRN Cc1ccc(S(=O)(=O)N2CCN(c3ccc(S(=O)(=O)N4CCOCC4)cc3[N+](=O)[O-])CC2)c(Cl)c1 ZINC000514404461 1066351409 /nfs/dbraw/zinc/35/14/09/1066351409.db2.gz DQMALWUVROTDQS-UHFFFAOYSA-N 0 0 545.039 2.088 20 5 KEBDRN O=C(NCCc1ccc(-n2cccn2)cc1)C1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])CC1 ZINC000514404694 1066350965 /nfs/dbraw/zinc/35/09/65/1066350965.db2.gz IVLULJDQTNKKSI-UHFFFAOYSA-N 0 0 568.656 2.377 20 5 KEBDRN CS(=O)(=O)c1ccc(NCCNC(=O)CCn2cnc3sc4c(c3c2=O)CCCC4)c([N+](=O)[O-])c1 ZINC000514404774 1066350282 /nfs/dbraw/zinc/35/02/82/1066350282.db2.gz MHCQMHXASQIDTM-UHFFFAOYSA-N 0 0 519.605 2.267 20 5 KEBDRN O=C(C(=O)N1CCN(C(=O)c2ccc(NCc3ccccc3Cl)c([N+](=O)[O-])c2)CC1)N1CCOCC1 ZINC000514404880 1066350370 /nfs/dbraw/zinc/35/03/70/1066350370.db2.gz MEELPAIUYNHWSK-UHFFFAOYSA-N 0 0 515.954 2.004 20 5 KEBDRN O=C(C1CCN(S(=O)(=O)c2ccc(Br)s2)CC1)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000514405102 1066349328 /nfs/dbraw/zinc/34/93/28/1066349328.db2.gz OWYAOUYUYDTEEY-UHFFFAOYSA-N 0 0 607.530 2.353 20 5 KEBDRN CC(C)CSc1ccc(S(=O)(=O)NCC(=O)NCc2ccc(N3CCOCC3)nc2)cc1[N+](=O)[O-] ZINC000514405118 1066349840 /nfs/dbraw/zinc/34/98/40/1066349840.db2.gz PPFJBUCTYVADRM-UHFFFAOYSA-N 0 0 523.637 2.169 20 5 KEBDRN O=C1S/C(=C/c2ccc(Cl)c([N+](=O)[O-])c2)C(=O)N1CCNC(=S)NCCN1CCOCC1 ZINC000916122343 1066357573 /nfs/dbraw/zinc/35/75/73/1066357573.db2.gz SIRREYJBNPSSBN-FOWTUZBSSA-N 0 0 500.002 2.081 20 5 KEBDRN