smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccccc1SCc1nnc(N2CC[C@@H](CC(C)C)C2)n1CC[N@@H+]1CCOC[C@H]1C ZINC001300672146 1069408300 /nfs/dbraw/zinc/40/83/00/1069408300.db2.gz FSTXUVGGLBWCPN-RTWAWAEBSA-N 1 2 473.687 4.172 20 0 JIADLO COc1ccccc1SCc1nnc(N2CC[C@@H](CC(C)C)C2)n1CC[N@H+]1CCOC[C@H]1C ZINC001300672146 1069408318 /nfs/dbraw/zinc/40/83/18/1069408318.db2.gz FSTXUVGGLBWCPN-RTWAWAEBSA-N 1 2 473.687 4.172 20 0 JIADLO COc1ccccc1SCc1nnc(N2CCN(c3cc[nH+]c(C)n3)CC2)n1CC(C)(C)SC ZINC001300677338 1069430482 /nfs/dbraw/zinc/43/04/82/1069430482.db2.gz NWGNZBJJLVSLQU-UHFFFAOYSA-N 1 2 499.710 4.146 20 0 JIADLO C[C@@H](C(=O)NC1CC1)[NH+]1CCN(c2nnc(-c3ccc(Cl)cc3)n2CCCC(C)(C)C)CC1 ZINC001359478167 1069641203 /nfs/dbraw/zinc/64/12/03/1069641203.db2.gz NUNRMYWRCVDLFL-SFHVURJKSA-N 1 2 473.065 4.214 20 0 JIADLO CC(C)(C)Cc1nnc(N2CCN(c3cccc[nH+]3)CC2)n1CCOc1cccc(C(F)(F)F)n1 ZINC001359538836 1069835140 /nfs/dbraw/zinc/83/51/40/1069835140.db2.gz HPBZXVKYDRHKJM-UHFFFAOYSA-N 1 2 489.546 4.081 20 0 JIADLO CO[C@H]1CN(c2nnc(-c3cc(Br)cn3C)n2CCCc2cccc(C)[nH+]2)CC1(C)C ZINC001300793798 1069844279 /nfs/dbraw/zinc/84/42/79/1069844279.db2.gz HBBAFUQMEJUJRN-FQEVSTJZSA-N 1 2 487.446 4.244 20 0 JIADLO CC(C)C(=O)NC1CCN(c2nnc(CC(C)(C)C)n2Cc2ccc(N3CCCCCC3)[nH+]c2)CC1 ZINC001359625928 1070116675 /nfs/dbraw/zinc/11/66/75/1070116675.db2.gz YRQUFEJELQTZAK-UHFFFAOYSA-N 1 2 495.716 4.431 20 0 JIADLO CC(C)[C@@](C)(O)Cn1c(CSc2ccc(Cl)cc2)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC001359655066 1070223067 /nfs/dbraw/zinc/22/30/67/1070223067.db2.gz OPUPSYHVRKOXAA-DEOSSOPVSA-N 1 2 487.073 4.352 20 0 JIADLO CC(C)[C@H](Cn1c(CC(C)(C)C)nnc1N1CCN([C@@H](C)c2ccsc2)CC1)[NH+]1CCOCC1 ZINC001359664090 1070290033 /nfs/dbraw/zinc/29/00/33/1070290033.db2.gz ZIRVMRDFVHSWKJ-GMAHTHKFSA-N 1 2 488.746 4.168 20 0 JIADLO CC(C)c1nnc(N(C)C[C@@H](c2cccs2)[NH+]2CCOCC2)n1CCN(C)c1ccccc1 ZINC001359679869 1070335943 /nfs/dbraw/zinc/33/59/43/1070335943.db2.gz WVRZMGGAOCFIOK-QFIPXVFZSA-N 1 2 468.671 4.109 20 0 JIADLO COc1ccc(Cn2c(CC(C)(C)C)nnc2N2CCN(c3cc[nH+]c(C)n3)CC2)cc1Cl ZINC001315499365 1064396260 /nfs/dbraw/zinc/39/62/60/1064396260.db2.gz RLFVBYOTPIUDAC-UHFFFAOYSA-N 1 2 470.021 4.002 20 0 JIADLO COc1ccc(C[NH+]2CCN(c3nnc(Cc4csc(C)n4)n3CCC(C)(F)F)CC2)cc1F ZINC001315505673 1064420454 /nfs/dbraw/zinc/42/04/54/1064420454.db2.gz YZSVKXTYRNIQBI-UHFFFAOYSA-N 1 2 494.587 4.149 20 0 JIADLO COc1ccc(F)cc1C[NH+]1CCN(c2nnc(C(C)C)n2C[C@@H](C)c2nc(C)cs2)CC1 ZINC001315514990 1064460797 /nfs/dbraw/zinc/46/07/97/1064460797.db2.gz AZOPPCSQPNKJHO-QGZVFWFLSA-N 1 2 472.634 4.440 20 0 JIADLO COc1ccccc1CN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001315638126 1064796524 /nfs/dbraw/zinc/79/65/24/1064796524.db2.gz ATBDGGSPVDXPHY-ZJSXRUAMSA-N 1 2 478.641 4.351 20 0 JIADLO COc1ccccc1SCc1nnc(N2CCSC[C@H]2C)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001315666921 1064885264 /nfs/dbraw/zinc/88/52/64/1064885264.db2.gz ANFKDUXEZLLUQX-QGZVFWFLSA-N 1 2 470.668 4.030 20 0 JIADLO COc1cc[nH+]cc1Cn1c(-c2ccc(Br)s2)nnc1N1CC[C@H](C)[C@@H](OC)C1 ZINC001315668649 1064892811 /nfs/dbraw/zinc/89/28/11/1064892811.db2.gz BTTXSJMROMKLNJ-BBRMVZONSA-N 1 2 478.416 4.082 20 0 JIADLO COc1cc[nH+]cc1Cn1c(-c2cccnc2)nnc1N(C)Cc1cccc(C(F)(F)F)c1 ZINC001315669128 1064894643 /nfs/dbraw/zinc/89/46/43/1064894643.db2.gz GYWBNCUHEAHDGX-UHFFFAOYSA-N 1 2 454.456 4.447 20 0 JIADLO COc1cc[nH+]cc1Cn1c(-c2ccccc2)nnc1N1CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC001315669019 1064894664 /nfs/dbraw/zinc/89/46/64/1064894664.db2.gz GOVPFEPXTTVFAV-FQEVSTJZSA-N 1 2 492.624 4.480 20 0 JIADLO COc1cc[nH+]cc1Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N(C)Cc1c(C)noc1C ZINC001315669186 1064895428 /nfs/dbraw/zinc/89/54/28/1064895428.db2.gz JALPBBAPQZZJQE-UHFFFAOYSA-N 1 2 492.580 4.434 20 0 JIADLO COc1cc[nH+]cc1Cn1c(-c2ccc(C)o2)nnc1N(C)CC(=O)Nc1c(C)cc(C)cc1C ZINC001315670226 1064898976 /nfs/dbraw/zinc/89/89/76/1064898976.db2.gz UAYHJSRYNICXTJ-UHFFFAOYSA-N 1 2 474.565 4.299 20 0 JIADLO COc1cc[nH+]cc1Cn1c(Cc2c(F)cccc2F)nnc1N1CCC[C@H](C(F)(F)F)C1 ZINC001315671607 1064901482 /nfs/dbraw/zinc/90/14/82/1064901482.db2.gz IBDJGYHVBMHTPI-HNNXBMFYSA-N 1 2 467.442 4.378 20 0 JIADLO COc1cc[nH+]cc1Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1C[C@H](C)CC[C@H]1C ZINC001315673210 1064905069 /nfs/dbraw/zinc/90/50/69/1064905069.db2.gz VMYVHQYNGFPORQ-MLYOOKFZSA-N 1 2 470.618 4.126 20 0 JIADLO COc1cc[nH+]cc1Cn1c(CNC(=O)c2cccs2)nnc1N(Cc1cccs1)C(C)C ZINC001315673342 1064906131 /nfs/dbraw/zinc/90/61/31/1064906131.db2.gz ZMZJANBTWSMCHT-UHFFFAOYSA-N 1 2 482.635 4.198 20 0 JIADLO COC1CCC(Cn2c(-c3ccc(Cl)cc3Cl)nnc2N(C)CC[NH+]2CCOCC2)CC1 ZINC001315680909 1064924476 /nfs/dbraw/zinc/92/44/76/1064924476.db2.gz IWJJUVIOMUXRTO-UHFFFAOYSA-N 1 2 482.456 4.226 20 0 JIADLO CO[C@@H]1CN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CCCNc2cccc[nH+]2)CC[C@@H]1C ZINC001315714548 1065002541 /nfs/dbraw/zinc/00/25/41/1065002541.db2.gz QMNDSVCXXUKZLZ-CNNODRBYSA-N 1 2 468.577 4.316 20 0 JIADLO COCC(C)(C)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC001315763483 1065078880 /nfs/dbraw/zinc/07/88/80/1065078880.db2.gz GIBNGRZVCJHHSL-UHFFFAOYSA-N 1 2 490.439 4.350 20 0 JIADLO COCC1(C)CCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2CC[N@@H+]2CCOC[C@H]2C)CC1 ZINC001315828271 1065186437 /nfs/dbraw/zinc/18/64/37/1065186437.db2.gz LBFMXPKGRGORGH-FYYLOGMGSA-N 1 2 485.673 4.009 20 0 JIADLO COCC1(C)CCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2CC[N@H+]2CCOC[C@H]2C)CC1 ZINC001315828271 1065186445 /nfs/dbraw/zinc/18/64/45/1065186445.db2.gz LBFMXPKGRGORGH-FYYLOGMGSA-N 1 2 485.673 4.009 20 0 JIADLO COCC1(C)CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2C[C@@H](C)[NH+]2CCOCC2)CC1 ZINC001315828956 1065187912 /nfs/dbraw/zinc/18/79/12/1065187912.db2.gz QMMYPYSPHAAMGS-UXHICEINSA-N 1 2 492.064 4.045 20 0 JIADLO COC[C@@H](F)Cn1c(CSc2ccc(Cl)cc2)nnc1N1CCc2c(cc[nH+]c2N(C)C)C1 ZINC001315829160 1065188697 /nfs/dbraw/zinc/18/86/97/1065188697.db2.gz ZJRPMNRNLGUBEG-SFHVURJKSA-N 1 2 491.036 4.232 20 0 JIADLO COCC1(Cn2c(N3CC[NH+](Cc4cnc(C)s4)CC3)nnc2C(C)(C)C)CCCCC1 ZINC001315851033 1065247095 /nfs/dbraw/zinc/24/70/95/1065247095.db2.gz JOBCAYXAPHCGCI-UHFFFAOYSA-N 1 2 460.692 4.260 20 0 JIADLO COC[C@@H]1CCCCN(c2nnc(Cc3ccncc3)n2C[C@@H](c2c(F)cccc2F)[NH+](C)C)C1 ZINC001315882359 1065322189 /nfs/dbraw/zinc/32/21/89/1065322189.db2.gz SDFCPHPHLUNOLE-OFNKIYASSA-N 1 2 484.595 4.098 20 0 JIADLO COC[C@H]1CCCN(c2nnc(-c3ccc(Br)cc3)n2CCCNc2cccc[nH+]2)C1 ZINC001315895575 1065361649 /nfs/dbraw/zinc/36/16/49/1065361649.db2.gz PFLGCSBXLFJQKT-SFHVURJKSA-N 1 2 485.430 4.468 20 0 JIADLO COC[C@@H]1CCCN(c2nnc(-c3ccc(C)c(Br)c3)n2Cc2ccc(N(C)C)[nH+]c2)C1 ZINC001315897785 1065366678 /nfs/dbraw/zinc/36/66/78/1065366678.db2.gz YKOUXOBGKGFOIP-LJQANCHMSA-N 1 2 499.457 4.388 20 0 JIADLO COCCC(C)(C)Cn1c(-c2ccccc2OC)nnc1N1CC[NH+](Cc2cnc(C)s2)CC1 ZINC001315956507 1065502188 /nfs/dbraw/zinc/50/21/88/1065502188.db2.gz JVXNQCNCAMRGLW-UHFFFAOYSA-N 1 2 484.670 4.104 20 0 JIADLO COCCC1(Cn2c(-c3ccccc3C)nnc2N(C)CC[NH+]2CCOCC2)CCCCC1 ZINC001315981491 1065545047 /nfs/dbraw/zinc/54/50/47/1065545047.db2.gz ZOTRMCXIIZMDDT-UHFFFAOYSA-N 1 2 455.647 4.009 20 0 JIADLO COCCCCn1c(Cc2ccsc2)nnc1N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC001316019341 1065619978 /nfs/dbraw/zinc/61/99/78/1065619978.db2.gz PVDOPBMIJKTTOS-UHFFFAOYSA-N 1 2 460.047 4.333 20 0 JIADLO COCCO[C@@H](C)c1nnc(N2CC=C(C(C)(C)C)CC2)n1CCc1cn2ccccc2[nH+]1 ZINC001316163491 1065830917 /nfs/dbraw/zinc/83/09/17/1065830917.db2.gz CSNABFDSUZFWLV-IBGZPJMESA-N 1 2 452.603 4.075 20 0 JIADLO COCCO[C@H](C)c1nnc(N2CCCC(C)(C)C2)n1C[C@@H](c1cccc(C)c1)[NH+]1CCOCC1 ZINC001316188295 1065876694 /nfs/dbraw/zinc/87/66/94/1065876694.db2.gz IIHBOPUFVBISAA-VWNXMTODSA-N 1 2 485.673 4.010 20 0 JIADLO COCCO[C@H]1CCCN(c2nnc(-c3ccc(C)o3)n2C[C@@H](c2c(F)cccc2F)[NH+](C)C)C1 ZINC001316239303 1065976064 /nfs/dbraw/zinc/97/60/64/1065976064.db2.gz ZZCIOCVBRZDVJB-RXVVDRJESA-N 1 2 489.567 4.059 20 0 JIADLO CON(C)c1nnc(-c2ccc(Br)s2)n1C[C@@H]1C[C@H](F)C[N@@H+]1Cc1cccs1 ZINC001316304661 1066065620 /nfs/dbraw/zinc/06/56/20/1066065620.db2.gz MTQZQCSLGQYPPT-STQMWFEESA-N 1 2 486.436 4.441 20 0 JIADLO CON(C)c1nnc(-c2ccc(Br)s2)n1C[C@@H]1C[C@H](F)C[N@H+]1Cc1cccs1 ZINC001316304661 1066065631 /nfs/dbraw/zinc/06/56/31/1066065631.db2.gz MTQZQCSLGQYPPT-STQMWFEESA-N 1 2 486.436 4.441 20 0 JIADLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)c3cnc4scc(-c5ccccc5)n4c3=O)n2)C1 ZINC001325684378 1066261652 /nfs/dbraw/zinc/26/16/52/1066261652.db2.gz MNYFTCYIDLQLTO-HNNXBMFYSA-N 1 2 465.604 4.364 20 0 JIADLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)c3cnc4scc(-c5ccccc5)n4c3=O)n2)C1 ZINC001325684378 1066261670 /nfs/dbraw/zinc/26/16/70/1066261670.db2.gz MNYFTCYIDLQLTO-HNNXBMFYSA-N 1 2 465.604 4.364 20 0 JIADLO O=C(NC1CCC(C(=O)Nc2ccc3nc(C[NH+]4CCCCC4)[nH]c3c2)CC1)C1CCCC1 ZINC001325969018 1066276958 /nfs/dbraw/zinc/27/69/58/1066276958.db2.gz SSYAHRDNSWVJJO-UHFFFAOYSA-N 1 2 451.615 4.353 20 0 JIADLO O=C(Nc1ccc2nc(C[NH+]3CCCCC3)[nH]c2c1)c1cn(-c2ccccc2Br)nn1 ZINC001325992633 1066278990 /nfs/dbraw/zinc/27/89/90/1066278990.db2.gz RPKJLMJNVMYXBH-UHFFFAOYSA-N 1 2 480.370 4.144 20 0 JIADLO Cc1cccc(-c2nnc(N(C)CC[NH+]3CCOCC3)n2Cc2ccc([C@@H](F)C(F)(F)F)cc2)n1 ZINC001492503357 1066314338 /nfs/dbraw/zinc/31/43/38/1066314338.db2.gz FBNVMSBUBVISPI-OAQYLSRUSA-N 1 2 492.521 4.038 20 0 JIADLO Cc1cccc(-c2nnc(N3CC[NH+]([C@@H](C)c4ccc(F)cc4F)CC3)n2CC(F)(F)F)n1 ZINC001492517453 1066373154 /nfs/dbraw/zinc/37/31/54/1066373154.db2.gz SUBGOXYLTCOOEW-HNNXBMFYSA-N 1 2 466.458 4.372 20 0 JIADLO Cc1cccc(CCCn2c([C@H](C)Oc3ccccc3F)nnc2N2CC[C@@H](C)[C@@H](O)C2)[nH+]1 ZINC001492525344 1066405767 /nfs/dbraw/zinc/40/57/67/1066405767.db2.gz QPSWFXUMIJRHJQ-LZNRXBQRSA-N 1 2 453.562 4.101 20 0 JIADLO Cc1cccc(CCCn2c(-c3ccccn3)nnc2N2CC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)[nH+]1 ZINC001492525810 1066412656 /nfs/dbraw/zinc/41/26/56/1066412656.db2.gz IJJQRGWKKBOVIG-RTWAWAEBSA-N 1 2 491.640 4.416 20 0 JIADLO Cc1cccc(CCCn2c([C@H]3CCCOC3)nnc2N(C)CC(=O)N(C)[C@H](C)c2ccccc2)[nH+]1 ZINC001492525851 1066412830 /nfs/dbraw/zinc/41/28/30/1066412830.db2.gz ITWJGHXQIGTTFB-VWNXMTODSA-N 1 2 490.652 4.164 20 0 JIADLO Cc1cccc(-c2nnc(N3CC[C@H](NC(=O)OC(C)(C)C)C3)n2CCCc2cccc(C)[nH+]2)n1 ZINC001492526248 1066414081 /nfs/dbraw/zinc/41/40/81/1066414081.db2.gz RITFNPSCLCZYTB-NRFANRHFSA-N 1 2 477.613 4.088 20 0 JIADLO C[C@@H]1CN(c2nnc(-c3cc(Br)c[nH]3)n2Cc2ccc(N(C)C)[nH+]c2)C[C@H]1C(F)(F)F ZINC001316488534 1066416697 /nfs/dbraw/zinc/41/66/97/1066416697.db2.gz LUWNPFNDLZGYDR-IUODEOHRSA-N 1 2 498.351 4.180 20 0 JIADLO Cc1cccc(CCCn2c(COc3ccc(F)cc3)nnc2N2CCOC(C)(C)[C@@H]2C)[nH+]1 ZINC001492527664 1066423972 /nfs/dbraw/zinc/42/39/72/1066423972.db2.gz OSLAZSCHUIFQKN-IBGZPJMESA-N 1 2 453.562 4.336 20 0 JIADLO Cc1cccc(CCCn2c([C@@H]3CCCN3C(=O)OC(C)(C)C)nnc2N2C[C@@H](C)O[C@@H](C)C2)[nH+]1 ZINC001492527800 1066425150 /nfs/dbraw/zinc/42/51/50/1066425150.db2.gz UEJXZLPBLDNVJK-VWPQPMDRSA-N 1 2 484.645 4.300 20 0 JIADLO C[C@@H]1CN(c2nnc(COc3ccc(Cl)cc3Cl)n2Cc2ccc(N(C)C)[nH+]c2)C[C@@H]1F ZINC001316492730 1066433118 /nfs/dbraw/zinc/43/31/18/1066433118.db2.gz WFWWUNKJQFXEHP-KDOFPFPSSA-N 1 2 479.387 4.467 20 0 JIADLO Cc1cccc(Oc2ccc(S(=O)(=O)NCc3cc[nH+]c(N4CCSCC4)c3)cc2)c1 ZINC001475544380 1066433281 /nfs/dbraw/zinc/43/32/81/1066433281.db2.gz QFXWLLPXVVXTSE-UHFFFAOYSA-N 1 2 455.605 4.214 20 0 JIADLO O=C(CCCNC(=O)c1ccc(Cl)cc1)Nc1ccc2nc(C[NH+]3CCCCC3)[nH]c2c1 ZINC001338431537 1066554901 /nfs/dbraw/zinc/55/49/01/1066554901.db2.gz UUCBTBQCDYHJFI-UHFFFAOYSA-N 1 2 453.974 4.351 20 0 JIADLO CC(C)[C@@H](C(=O)Nc1ccc2nc(C[NH+]3CCCCC3)[nH]c2c1)S(=O)(=O)C1CCCCC1 ZINC001338520083 1066561344 /nfs/dbraw/zinc/56/13/44/1066561344.db2.gz SDWAKCYRPIOWQP-QHCPKHFHSA-N 1 2 460.644 4.259 20 0 JIADLO CS(=O)(=O)Cc1ccc(C(=O)O[C@H](Cn2cc[nH+]c2)c2ccc(Cl)cc2Cl)cc1 ZINC001343409673 1066613240 /nfs/dbraw/zinc/61/32/40/1066613240.db2.gz UVCRPIBWGJOYEJ-LJQANCHMSA-N 1 2 453.347 4.333 20 0 JIADLO Cc1cccc([C@H](Cn2c(C3CCCC3)nnc2N(C)CC(F)(F)F)[NH+]2CCOCC2)c1 ZINC001492479835 1066625626 /nfs/dbraw/zinc/62/56/26/1066625626.db2.gz IGSXPSFIMYLRSA-FQEVSTJZSA-N 1 2 451.537 4.316 20 0 JIADLO Cc1cccc([C@H](Cn2c(CC(C)C)nnc2N2CCS[C@H](C(C)C)C2)[NH+]2CCOCC2)c1 ZINC001492481351 1066627147 /nfs/dbraw/zinc/62/71/47/1066627147.db2.gz WHYZIJABOLHFRT-ZEQRLZLVSA-N 1 2 471.715 4.436 20 0 JIADLO Cc1cccc(OCc2nnc(N3CC=C(C(C)(C)C)CC3)n2C[C@@H](C)[NH+]2CCOCC2)c1 ZINC001492542203 1066654881 /nfs/dbraw/zinc/65/48/81/1066654881.db2.gz LTGUGMSKIDTHJA-OAQYLSRUSA-N 1 2 453.631 4.069 20 0 JIADLO CCCN(Cc1nc2ccsc2c(=O)[nH]1)C(=O)Nc1ccccc1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC001317886383 1066755418 /nfs/dbraw/zinc/75/54/18/1066755418.db2.gz HBLGZDOHYFEQJC-IRXDYDNUSA-N 1 2 469.611 4.450 20 0 JIADLO Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)[C@@H](c1cccc(Cl)c1)[NH+](C)C ZINC001349164315 1066816339 /nfs/dbraw/zinc/81/63/39/1066816339.db2.gz CTINDZDKRCMCNI-OAQYLSRUSA-N 1 2 450.004 4.064 20 0 JIADLO COC(=O)c1ccc(NC(=O)N2CC[NH+](Cc3ccc(OC(F)(F)F)cc3)CC2)c(C)c1 ZINC001318014905 1066852764 /nfs/dbraw/zinc/85/27/64/1066852764.db2.gz XHJNRGSIRCWNEG-UHFFFAOYSA-N 1 2 451.445 4.030 20 0 JIADLO CC(C)(C)OC(=O)NCC[N@H+](CC(=O)NC[C@H]1CCCc2ccccc21)Cc1ccccc1 ZINC001349871051 1066889668 /nfs/dbraw/zinc/88/96/68/1066889668.db2.gz FSMYYMBYDPZHHV-HSZRJFAPSA-N 1 2 451.611 4.250 20 0 JIADLO CC(C)(C)OC(=O)NCC[N@@H+](CC(=O)NC[C@H]1CCCc2ccccc21)Cc1ccccc1 ZINC001349871051 1066889670 /nfs/dbraw/zinc/88/96/70/1066889670.db2.gz FSMYYMBYDPZHHV-HSZRJFAPSA-N 1 2 451.611 4.250 20 0 JIADLO CCOc1ccccc1CN(CCCn1cc[nH+]c1)C(=O)N[C@H]1CCCN(C(=O)c2ccccc2)C1 ZINC001318155504 1066928165 /nfs/dbraw/zinc/92/81/65/1066928165.db2.gz JRESWAQUMJFEQA-VWLOTQADSA-N 1 2 489.620 4.189 20 0 JIADLO CC[NH+](CC)Cc1csc(NC(=O)CSc2nnc(-c3cccnc3)n2-c2ccccc2)n1 ZINC001350430821 1066957842 /nfs/dbraw/zinc/95/78/42/1066957842.db2.gz BSMXQKIOZODZRN-UHFFFAOYSA-N 1 2 479.635 4.358 20 0 JIADLO O=C1c2ccccc2C(=O)N1CC1CC[NH+](Cn2c(=S)snc2-c2ccccc2)CC1 ZINC001318211281 1066960926 /nfs/dbraw/zinc/96/09/26/1066960926.db2.gz LCFGRAJTRNJPMN-UHFFFAOYSA-N 1 2 450.589 4.307 20 0 JIADLO CC[C@@H](C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)Nc1ccc2nc(C[NH+]3CCCCC3)[nH]c2c1 ZINC001318229499 1066973000 /nfs/dbraw/zinc/97/30/00/1066973000.db2.gz FNIKASIAWKVCHK-CLOONOSVSA-N 1 2 473.621 4.487 20 0 JIADLO O=C(CCn1c(=O)oc2cc(Cl)ccc21)Nc1ccc2nc(C[NH+]3CCCCC3)[nH]c2c1 ZINC001318237614 1066977644 /nfs/dbraw/zinc/97/76/44/1066977644.db2.gz DPHNIOJMILQPKY-UHFFFAOYSA-N 1 2 453.930 4.139 20 0 JIADLO O=C(Nc1ccc2nc(C[NH+]3CCCCC3)[nH]c2c1)[C@H]1CS[C@@]2(c3ccc(F)cc3)CCC(=O)N12 ZINC001318262431 1066989965 /nfs/dbraw/zinc/98/99/65/1066989965.db2.gz LVPHZSXBOLWXGP-ATIYNZHBSA-N 1 2 493.608 4.217 20 0 JIADLO O=C(Nc1ccc2nc(C[NH+]3CCCCC3)[nH]c2c1)[C@H]1CS[C@]2(c3ccc(F)cc3)CCC(=O)N12 ZINC001318262433 1066990068 /nfs/dbraw/zinc/99/00/68/1066990068.db2.gz LVPHZSXBOLWXGP-GJZUVCINSA-N 1 2 493.608 4.217 20 0 JIADLO COc1ccc2ccc(-c3nn(-c4ccccc4)cc3C(=O)NCCc3[nH+]ccn3C)cc2c1 ZINC001350868786 1067012738 /nfs/dbraw/zinc/01/27/38/1067012738.db2.gz NWYGVANDAREOCV-UHFFFAOYSA-N 1 2 451.530 4.407 20 0 JIADLO O=C1C[C@H]([NH+]2CCC([C@H]3C(=O)Nc4ccccc43)CC2)C(=O)N1c1ccc(Cl)c(C(F)(F)F)c1 ZINC001318338961 1067022652 /nfs/dbraw/zinc/02/26/52/1067022652.db2.gz SBMPGHPMUJFJOF-PZJWPPBQSA-N 1 2 491.897 4.439 20 0 JIADLO COc1cccc(COC(=O)c2cccnc2N2CC[NH+](Cc3cccc(Cl)c3)CC2)c1 ZINC001351060569 1067039129 /nfs/dbraw/zinc/03/91/29/1067039129.db2.gz KTOYITBDHYTMRJ-UHFFFAOYSA-N 1 2 451.954 4.423 20 0 JIADLO COc1cc[nH+]cc1Cn1c(-c2ccccc2Br)nnc1N1CC[C@@H](OCC(C)C)C1 ZINC001300692157 1067041334 /nfs/dbraw/zinc/04/13/34/1067041334.db2.gz ASBTXTRBZVYTTJ-GOSISDBHSA-N 1 2 486.414 4.411 20 0 JIADLO COc1cc[nH+]cc1Cn1c(-c2ccc(Cl)cc2OC)nnc1N(C)Cc1cnc(C)s1 ZINC001300692798 1067042598 /nfs/dbraw/zinc/04/25/98/1067042598.db2.gz BQHGBYOIZYZQKT-UHFFFAOYSA-N 1 2 470.986 4.460 20 0 JIADLO COc1cc[nH+]cc1Cn1c(-c2ccc(F)cc2Br)nnc1N1C[C@@H](C)[C@@H](F)C1 ZINC001300693129 1067043159 /nfs/dbraw/zinc/04/31/59/1067043159.db2.gz OLYSDUGURMENAB-PXAZEXFGSA-N 1 2 464.314 4.093 20 0 JIADLO COc1cc[nH+]cc1Cn1c(-c2ccc(OCCC(C)C)cc2)nnc1N1CC[C@@H](C)[C@@H](O)C1 ZINC001300692965 1067043352 /nfs/dbraw/zinc/04/33/52/1067043352.db2.gz MVJHIOUCKUHWAX-XXBNENTESA-N 1 2 465.598 4.029 20 0 JIADLO COc1cc[nH+]cc1Cn1c(-c2cccc(Br)c2)nnc1N1C[C@@H](OC)C(C)(C)C1 ZINC001300694123 1067046989 /nfs/dbraw/zinc/04/69/89/1067046989.db2.gz NPWKJYFSZKHMSD-LJQANCHMSA-N 1 2 472.387 4.021 20 0 JIADLO CCCNC(=O)c1cccc(CNC(=O)[C@H](c2cccc(Br)c2)[NH+]2CCCC2)c1 ZINC001354701105 1067051353 /nfs/dbraw/zinc/05/13/53/1067051353.db2.gz BQIINRKUINSMSW-NRFANRHFSA-N 1 2 458.400 4.042 20 0 JIADLO COc1cc[nH+]cc1Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@@H](C)[C@H]1C ZINC001300696700 1067054562 /nfs/dbraw/zinc/05/45/62/1067054562.db2.gz GVWBDTHYLAUSNA-GUDVDZBRSA-N 1 2 470.618 4.079 20 0 JIADLO COc1cc[nH+]cc1Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCO[C@@H](C(C)(C)C)C1 ZINC001300697065 1067055382 /nfs/dbraw/zinc/05/53/82/1067055382.db2.gz MNKFSZLNCACUAR-OAQYLSRUSA-N 1 2 455.990 4.226 20 0 JIADLO COc1cc[nH+]cc1Cn1c([C@@H]2CCCOC2)nnc1N(C)Cc1ccccc1C(F)(F)F ZINC001300698410 1067057854 /nfs/dbraw/zinc/05/78/54/1067057854.db2.gz ZQIZHZUZCRWNFN-QGZVFWFLSA-N 1 2 461.488 4.279 20 0 JIADLO COc1cc[nH+]cc1Cn1c(N(C)CCc2ccc(Cl)cc2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001300702353 1067064620 /nfs/dbraw/zinc/06/46/20/1067064620.db2.gz PUDIQQFWTOJOCR-VWLOTQADSA-N 1 2 486.016 4.103 20 0 JIADLO CC(C)(C)[C@@H]1CCc2c(sc(=O)n2C[NH+]2CCC(CN3C(=O)c4ccccc4C3=O)CC2)C1 ZINC001321498216 1067148995 /nfs/dbraw/zinc/14/89/95/1067148995.db2.gz RJZCWLWZLBIQEI-GOSISDBHSA-N 1 2 467.635 4.027 20 0 JIADLO CN(C(=O)OC(C)(C)C)C1(C)CC[NH+](CN2C(=O)N[C@@](C)(c3ccc4ccccc4c3)C2=O)CC1 ZINC001321636748 1067185682 /nfs/dbraw/zinc/18/56/82/1067185682.db2.gz OXRACWMBIBKTRD-MHZLTWQESA-N 1 2 480.609 4.286 20 0 JIADLO O=C(Nc1ccc2nc(C[NH+]3CCCCC3)[nH]c2c1)c1ccc(I)cc1 ZINC001322403342 1067287063 /nfs/dbraw/zinc/28/70/63/1067287063.db2.gz BNHCQPUZQJMKRK-UHFFFAOYSA-N 1 2 460.319 4.406 20 0 JIADLO Cc1cccc(-c2nnc(N(C)C[C@@H](c3cccs3)[NH+]3CCOCC3)n2CCC(C)C)n1 ZINC001492498076 1067340881 /nfs/dbraw/zinc/34/08/81/1067340881.db2.gz RCTZHBOHNZPGNZ-NRFANRHFSA-N 1 2 454.644 4.266 20 0 JIADLO C[C@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)CCc1ccccc1OC(F)(F)F ZINC001352469794 1067419559 /nfs/dbraw/zinc/41/95/59/1067419559.db2.gz UAQKZUDJUCXULQ-LJQANCHMSA-N 1 2 450.501 4.267 20 0 JIADLO O=C(Cc1cc(Cl)cc2c1OCC2)N1CC[NH+](Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC001355326202 1067420897 /nfs/dbraw/zinc/42/08/97/1067420897.db2.gz UPBXYDWNRNQJLP-UHFFFAOYSA-N 1 2 454.876 4.060 20 0 JIADLO CC[NH+](CC)Cc1nc(C2(NC(=O)c3cnn(Cc4ccccc4)c3Cl)CCCC2)no1 ZINC001355404570 1067450935 /nfs/dbraw/zinc/45/09/35/1067450935.db2.gz GEWMARDIPVFYEF-UHFFFAOYSA-N 1 2 456.978 4.009 20 0 JIADLO COc1ccc(-c2nnc(N3CCc4c(cc[nH+]c4N(C)C)C3)n2CCSC(C)C)c(OC)c1 ZINC001300047096 1067498723 /nfs/dbraw/zinc/49/87/23/1067498723.db2.gz AQCJVCBODDATBL-UHFFFAOYSA-N 1 2 482.654 4.128 20 0 JIADLO COc1ccc(SCCC(=O)N2CC[NH+](Cc3ccc(OC(F)(F)F)cc3)CC2)cc1 ZINC001352638911 1067596567 /nfs/dbraw/zinc/59/65/67/1067596567.db2.gz DRPZXTITWHKXGJ-UHFFFAOYSA-N 1 2 454.514 4.420 20 0 JIADLO COCC[C@H](Cc1cccc(Br)c1)C(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC001356008945 1067632455 /nfs/dbraw/zinc/63/24/55/1067632455.db2.gz NVHUTHVKJORJOB-LJQANCHMSA-N 1 2 451.430 4.050 20 0 JIADLO Cc1ccc(C(=O)Nc2ccc(-n3cc[nH+]c3)c(Cl)c2)cc1S(=O)(=O)NC1CCCC1 ZINC001356315636 1067722016 /nfs/dbraw/zinc/72/20/16/1067722016.db2.gz AKORYSNNMTYGFX-UHFFFAOYSA-N 1 2 458.971 4.307 20 0 JIADLO Cc1noc(C)c1C[N@@H+]1CCOCC12CCN(C(=S)Nc1ccc(C)cc1Br)CC2 ZINC001200146561 1067754433 /nfs/dbraw/zinc/75/44/33/1067754433.db2.gz UGGCKPXOYXDAMW-UHFFFAOYSA-N 1 2 493.471 4.426 20 0 JIADLO Cc1noc(C)c1C[N@H+]1CCOCC12CCN(C(=S)Nc1ccc(C)cc1Br)CC2 ZINC001200146561 1067754453 /nfs/dbraw/zinc/75/44/53/1067754453.db2.gz UGGCKPXOYXDAMW-UHFFFAOYSA-N 1 2 493.471 4.426 20 0 JIADLO Cc1cccc(C[N@@H+]2CCCC[C@H]2C(=O)Oc2ccc(S(=O)(=O)N3CCCCC3)cc2)c1 ZINC001356580036 1067782958 /nfs/dbraw/zinc/78/29/58/1067782958.db2.gz ZQSQQKKNLWULEZ-DEOSSOPVSA-N 1 2 456.608 4.130 20 0 JIADLO Cc1cccc(C[N@H+]2CCCC[C@H]2C(=O)Oc2ccc(S(=O)(=O)N3CCCCC3)cc2)c1 ZINC001356580036 1067782967 /nfs/dbraw/zinc/78/29/67/1067782967.db2.gz ZQSQQKKNLWULEZ-DEOSSOPVSA-N 1 2 456.608 4.130 20 0 JIADLO Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)C2CCN(C(=O)/C=C\c3ccccc3)CC2)c(C)c1 ZINC001357329078 1067834771 /nfs/dbraw/zinc/83/47/71/1067834771.db2.gz AIWYTKQOOOEPPX-ZOTQCUMXSA-N 1 2 456.590 4.309 20 0 JIADLO Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)C2CCN(C(=O)/C=C/c3ccccc3)CC2)c(C)c1 ZINC001357329077 1067834875 /nfs/dbraw/zinc/83/48/75/1067834875.db2.gz AIWYTKQOOOEPPX-WOKXFPNESA-N 1 2 456.590 4.309 20 0 JIADLO Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)CSc2nnc(-c3cccs3)n2C)c(C)c1 ZINC001357331442 1067835655 /nfs/dbraw/zinc/83/56/55/1067835655.db2.gz YQPSTUWDBIOTQT-SFHVURJKSA-N 1 2 452.609 4.007 20 0 JIADLO COc1ccc(CN(C)c2nnc(Cc3ccsc3)n2Cc2ccc(N(C)C)[nH+]c2)cc1OC ZINC001300176852 1067837773 /nfs/dbraw/zinc/83/77/73/1067837773.db2.gz HCKYIGPLNFRHLT-UHFFFAOYSA-N 1 2 478.622 4.093 20 0 JIADLO O=C(Nc1ccc(Sc2ccc(Br)cc2)cc1)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001353112014 1067868308 /nfs/dbraw/zinc/86/83/08/1067868308.db2.gz VZGLHHMBCZFCGD-NQIIRXRSSA-N 1 2 477.424 4.419 20 0 JIADLO C[C@H](c1cccc(NC(=O)N2C[C@@H](C)[C@H](CCNC(=O)OC(C)(C)C)C2)c1)[NH+]1CCOCC1 ZINC001200232427 1067876353 /nfs/dbraw/zinc/87/63/53/1067876353.db2.gz GZCLKLVBKXJCTL-SFHLNBCPSA-N 1 2 460.619 4.094 20 0 JIADLO COc1ccc(Cn2c(CC(C)(C)C)nnc2N2CCc3c(cc[nH+]c3N(C)C)C2)c(F)c1 ZINC001300212446 1067882716 /nfs/dbraw/zinc/88/27/16/1067882716.db2.gz QWEQWHQJNMIKLW-UHFFFAOYSA-N 1 2 452.578 4.086 20 0 JIADLO COc1ccc(C[NH+]2CCN(c3nnc(CC(C)C)n3Cc3ccc(OC(C)C)nc3)CC2)cc1F ZINC001300232262 1067918215 /nfs/dbraw/zinc/91/82/15/1067918215.db2.gz QRNROXPFSAKDOY-UHFFFAOYSA-N 1 2 496.631 4.177 20 0 JIADLO COc1ccc(C[NH+]2CCN(c3nnc(CC(C)(C)C)n3CC3(OC)CCCC3)CC2)cc1F ZINC001300232429 1067918919 /nfs/dbraw/zinc/91/89/19/1067918919.db2.gz VPHDIUQNXPWWKG-UHFFFAOYSA-N 1 2 473.637 4.296 20 0 JIADLO COc1ccc(C[NH+]2CCN(c3nnc(CC(C)(C)C)n3C[C@H]3CCOC[C@@H]3C)CC2)cc1F ZINC001300232570 1067920432 /nfs/dbraw/zinc/92/04/32/1067920432.db2.gz ZCUBMCDVDCBXQP-PZJWPPBQSA-N 1 2 473.637 4.009 20 0 JIADLO COc1ccc(C[NH+]2CCN(c3nnc(CC(C)C)n3CCCc3nccs3)CC2)cc1F ZINC001300232607 1067920514 /nfs/dbraw/zinc/92/05/14/1067920514.db2.gz ZZPHIHPDBUFLMV-UHFFFAOYSA-N 1 2 472.634 4.036 20 0 JIADLO COc1ccc(Cl)cc1CN(C)c1nnc(CC(C)C)n1Cc1ccc(N2CCO[C@H](C)C2)[nH+]c1 ZINC001300237786 1067934640 /nfs/dbraw/zinc/93/46/40/1067934640.db2.gz ONNHZMZQHQWJJE-LJQANCHMSA-N 1 2 499.059 4.443 20 0 JIADLO COc1ccc(F)cc1C[NH+]1CCN(c2nnc(-c3ccc(Cl)nc3)n2CC(F)(F)F)CC1 ZINC001300244914 1067963816 /nfs/dbraw/zinc/96/38/16/1067963816.db2.gz BTXFJYFKCGIPEJ-UHFFFAOYSA-N 1 2 484.885 4.026 20 0 JIADLO C[N@@H+]1CCO[C@@H]([C@H](NC(=O)CCc2ccc(OC(F)(F)F)cc2)c2ccc(Cl)cc2)C1 ZINC001358071341 1068008679 /nfs/dbraw/zinc/00/86/79/1068008679.db2.gz DKFCTICMBVOHIF-TZIWHRDSSA-N 1 2 456.892 4.359 20 0 JIADLO C[N@H+]1CCO[C@@H]([C@H](NC(=O)CCc2ccc(OC(F)(F)F)cc2)c2ccc(Cl)cc2)C1 ZINC001358071341 1068008694 /nfs/dbraw/zinc/00/86/94/1068008694.db2.gz DKFCTICMBVOHIF-TZIWHRDSSA-N 1 2 456.892 4.359 20 0 JIADLO COc1ccc(Br)cc1-c1ncc(C(=O)N[C@@H]2C[N@H+](C)Cc3ccccc32)s1 ZINC001358383851 1068079649 /nfs/dbraw/zinc/07/96/49/1068079649.db2.gz NKADYWHTNQBOMH-QGZVFWFLSA-N 1 2 458.381 4.498 20 0 JIADLO COc1ccc(Br)cc1-c1ncc(C(=O)N[C@@H]2C[N@@H+](C)Cc3ccccc32)s1 ZINC001358383851 1068079663 /nfs/dbraw/zinc/07/96/63/1068079663.db2.gz NKADYWHTNQBOMH-QGZVFWFLSA-N 1 2 458.381 4.498 20 0 JIADLO COc1ccc(OCc2nnc(N3CCC[C@H](C(C)C)C3)n2Cc2ccc(N(C)C)[nH+]c2)cc1 ZINC001300285127 1068083101 /nfs/dbraw/zinc/08/31/01/1068083101.db2.gz TYRZOOMPHZVSHS-NRFANRHFSA-N 1 2 464.614 4.247 20 0 JIADLO CC[C@@H](C)[C@@H](NC(=O)c1cccc(Cn2cc[nH+]c2)c1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC001358441019 1068092286 /nfs/dbraw/zinc/09/22/86/1068092286.db2.gz JBWXTTRUGXQPQP-CJFMBICVSA-N 1 2 459.594 4.315 20 0 JIADLO COc1ccc(OCc2nnc(N3CCO[C@](C)(C(C)(C)C)C3)n2CCCNc2cccc[nH+]2)cc1 ZINC001300297137 1068128100 /nfs/dbraw/zinc/12/81/00/1068128100.db2.gz SKEWTVXIWAKHFH-MHZLTWQESA-N 1 2 494.640 4.404 20 0 JIADLO COc1ccc(C[C@H]([NH2+]Cc2nc(N)nc(Nc3ccccc3C)n2)c2ccc(OC)cc2)cc1 ZINC000499056052 1068216618 /nfs/dbraw/zinc/21/66/18/1068216618.db2.gz ZNELFXLCMMKEAT-DEOSSOPVSA-N 1 2 470.577 4.019 20 0 JIADLO COc1ccc(CCn2c(C)cc(C(=O)Cn3c(NC[C@@H](C)O)[nH+]c4ccccc43)c2C)cc1 ZINC000514591691 1068256749 /nfs/dbraw/zinc/25/67/49/1068256749.db2.gz WOHOMGQEKQFNAY-LJQANCHMSA-N 1 2 460.578 4.382 20 0 JIADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)c1ccccc1C(=O)c1ccc(Cl)c(Cl)c1 ZINC000520928816 1068329497 /nfs/dbraw/zinc/32/94/97/1068329497.db2.gz HTBTUFPXBQPTMW-UHFFFAOYSA-N 1 2 473.360 4.005 20 0 JIADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(C(=S)Nc4c(C)cccc4C(C)C)CC3)C2=O)cs1 ZINC001200399985 1068389072 /nfs/dbraw/zinc/38/90/72/1068389072.db2.gz KKWZURBZKVNRQF-UHFFFAOYSA-N 1 2 485.723 4.389 20 0 JIADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(C(=S)Nc4c(C)cccc4C(C)C)CC3)C2=O)cs1 ZINC001200399985 1068389093 /nfs/dbraw/zinc/38/90/93/1068389093.db2.gz KKWZURBZKVNRQF-UHFFFAOYSA-N 1 2 485.723 4.389 20 0 JIADLO COc1cccc(-c2nnc(N3CCO[C@](C)(C(C)(C)C)C3)n2CCCNc2cccc[nH+]2)c1 ZINC001300395090 1068528422 /nfs/dbraw/zinc/52/84/22/1068528422.db2.gz JGZIUKKXMLEHPX-SANMLTNESA-N 1 2 464.614 4.492 20 0 JIADLO Cc1cc(Br)cc2cc(C(=O)Nc3ccccc3C(=O)N3CC[NH+](C)CC3)oc21 ZINC001353769313 1068564439 /nfs/dbraw/zinc/56/44/39/1068564439.db2.gz ZYIOGSHSCMCSEO-UHFFFAOYSA-N 1 2 456.340 4.144 20 0 JIADLO COc1cccc(O[C@H](C)Cn2c(CC(C)(C)C)nnc2N2CCc3c(cc[nH+]c3N(C)C)C2)c1 ZINC001300445680 1068733972 /nfs/dbraw/zinc/73/39/72/1068733972.db2.gz MCDINGXRZAKBBD-LJQANCHMSA-N 1 2 478.641 4.367 20 0 JIADLO CCOC(=O)c1cnn(-c2ccc(NC(=O)c3ccn4c(C)c[nH+]c4c3)cc2)c1C(F)(F)F ZINC001354057409 1068871475 /nfs/dbraw/zinc/87/14/75/1068871475.db2.gz IVSHDLHOIVQTBE-UHFFFAOYSA-N 1 2 457.412 4.276 20 0 JIADLO COc1ccccc1-c1nnc(N2CC[NH+](Cc3cc(C)no3)CC2)n1C[C@H](SC)C(C)(C)C ZINC001300513985 1068895455 /nfs/dbraw/zinc/89/54/55/1068895455.db2.gz WBHQHFUQDBFDFV-QFIPXVFZSA-N 1 2 484.670 4.350 20 0 JIADLO Cc1onc(-c2c(F)cccc2Cl)c1C(=O)N[C@@H](C)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001354156984 1068936987 /nfs/dbraw/zinc/93/69/87/1068936987.db2.gz PNFHPLOSPJISOA-MGPUTAFESA-N 1 2 457.933 4.462 20 0 JIADLO Cc1onc(-c2c(F)cccc2Cl)c1C(=O)N[C@@H](C)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001354156984 1068936995 /nfs/dbraw/zinc/93/69/95/1068936995.db2.gz PNFHPLOSPJISOA-MGPUTAFESA-N 1 2 457.933 4.462 20 0 JIADLO COc1ccc([C@H]2[C@@H](C(=O)Nc3cc[nH+]c(C)c3)CCC(=O)N2c2ccc(C)cc2)cc1OC ZINC000849209046 1068967075 /nfs/dbraw/zinc/96/70/75/1068967075.db2.gz UOPVWMFAHLVNDH-NVQXNPDNSA-N 1 2 459.546 4.261 20 0 JIADLO CC[C@H](c1nnc(NC(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)s1)c1ccccc1 ZINC000504036977 1068974221 /nfs/dbraw/zinc/97/42/21/1068974221.db2.gz NSUVCHVUIUECKD-SFTDATJTSA-N 1 2 451.596 4.103 20 0 JIADLO CC[C@H](c1nnc(NC(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)s1)c1ccccc1 ZINC000504036977 1068974240 /nfs/dbraw/zinc/97/42/40/1068974240.db2.gz NSUVCHVUIUECKD-SFTDATJTSA-N 1 2 451.596 4.103 20 0 JIADLO COc1cc(C[N@@H+]2CC3(CCOCC3)[C@@H]2c2cnn(CC(C)C)c2)ccc1OC(=O)C1CC1 ZINC000849479429 1069048729 /nfs/dbraw/zinc/04/87/29/1069048729.db2.gz QRPSTAFSRNDVFO-DEOSSOPVSA-N 1 2 453.583 4.217 20 0 JIADLO COc1cc(C[N@H+]2CC3(CCOCC3)[C@@H]2c2cnn(CC(C)C)c2)ccc1OC(=O)C1CC1 ZINC000849479429 1069048747 /nfs/dbraw/zinc/04/87/47/1069048747.db2.gz QRPSTAFSRNDVFO-DEOSSOPVSA-N 1 2 453.583 4.217 20 0 JIADLO COc1cccc(Cc2nnc(NC(=O)N3CC[NH+]([C@H](C)c4cccc(OC)c4)CC3)s2)c1 ZINC000504171679 1069096390 /nfs/dbraw/zinc/09/63/90/1069096390.db2.gz MEOCGYSKUKIGGZ-QGZVFWFLSA-N 1 2 467.595 4.057 20 0 JIADLO Cc1nc(C[N@@H+]2CCOC[C@@]3(CCCN(C(=S)Nc4cc(F)cc(F)c4)C3)C2)cs1 ZINC001200666022 1069220447 /nfs/dbraw/zinc/22/04/47/1069220447.db2.gz YUMOAEGRSSAIDL-NRFANRHFSA-N 1 2 452.596 4.041 20 0 JIADLO Cc1nc(C[N@H+]2CCOC[C@@]3(CCCN(C(=S)Nc4cc(F)cc(F)c4)C3)C2)cs1 ZINC001200666022 1069220458 /nfs/dbraw/zinc/22/04/58/1069220458.db2.gz YUMOAEGRSSAIDL-NRFANRHFSA-N 1 2 452.596 4.041 20 0 JIADLO Fc1ccc(NC(=S)N2CCO[C@H](c3[nH+]cn4c3cccc4Br)C2)cc1F ZINC001200685508 1069284247 /nfs/dbraw/zinc/28/42/47/1069284247.db2.gz BBTOQSQUZQJOTJ-HNNXBMFYSA-N 1 2 453.312 4.145 20 0 JIADLO C[C@@H]1CN(C(F)(F)c2cccc(S(=O)(=O)Nc3nc4ccccc4nc3Cl)c2)[C@@H](C)C[N@@H+]1C ZINC001164633351 719237979 /nfs/dbraw/zinc/23/79/79/719237979.db2.gz LEQVMHRDLBPTHE-CABCVRRESA-N 1 2 495.983 4.158 20 0 JIADLO C[C@@H]1CN(C(F)(F)c2cccc(S(=O)(=O)Nc3nc4ccccc4nc3Cl)c2)[C@@H](C)C[N@H+]1C ZINC001164633351 719237984 /nfs/dbraw/zinc/23/79/84/719237984.db2.gz LEQVMHRDLBPTHE-CABCVRRESA-N 1 2 495.983 4.158 20 0 JIADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ncc3ccc(OC)cc3n1)CC2 ZINC001164663909 719348250 /nfs/dbraw/zinc/34/82/50/719348250.db2.gz OWZBEUQLVHGFSI-UHFFFAOYSA-N 1 2 454.578 4.333 20 0 JIADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ncc3ccc(OC)cc3n1)CC2 ZINC001164663909 719348254 /nfs/dbraw/zinc/34/82/54/719348254.db2.gz OWZBEUQLVHGFSI-UHFFFAOYSA-N 1 2 454.578 4.333 20 0 JIADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ccc(-c3nc(C)no3)cn1)CC2 ZINC001164658155 719354142 /nfs/dbraw/zinc/35/41/42/719354142.db2.gz DWMZLCPCFVECDC-UHFFFAOYSA-N 1 2 455.566 4.135 20 0 JIADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ccc(-c3nc(C)no3)cn1)CC2 ZINC001164658155 719354147 /nfs/dbraw/zinc/35/41/47/719354147.db2.gz DWMZLCPCFVECDC-UHFFFAOYSA-N 1 2 455.566 4.135 20 0 JIADLO CC(C)n1cnc2c1nc(Cl)nc2N1CCC2(CC1)COCC[N@@H+]2Cc1ccc(F)cc1 ZINC001164672631 719517391 /nfs/dbraw/zinc/51/73/91/719517391.db2.gz LVOMBNDMZSSZND-UHFFFAOYSA-N 1 2 458.969 4.071 20 0 JIADLO CC(C)n1cnc2c1nc(Cl)nc2N1CCC2(CC1)COCC[N@H+]2Cc1ccc(F)cc1 ZINC001164672631 719517401 /nfs/dbraw/zinc/51/74/01/719517401.db2.gz LVOMBNDMZSSZND-UHFFFAOYSA-N 1 2 458.969 4.071 20 0 JIADLO COC(=O)C[C@@H](c1ccnc(N2CCC3(CC2)COCC[N@@H+]3Cc2ccc(F)cc2)c1)C1CC1 ZINC001164670487 719521023 /nfs/dbraw/zinc/52/10/23/719521023.db2.gz DGRANDZLCUYYBQ-XMMPIXPASA-N 1 2 467.585 4.149 20 0 JIADLO COC(=O)C[C@@H](c1ccnc(N2CCC3(CC2)COCC[N@H+]3Cc2ccc(F)cc2)c1)C1CC1 ZINC001164670487 719521025 /nfs/dbraw/zinc/52/10/25/719521025.db2.gz DGRANDZLCUYYBQ-XMMPIXPASA-N 1 2 467.585 4.149 20 0 JIADLO Fc1ccc(C[N@@H+]2CCOCC23CCN(c2ccc(-c4ccc5c(c4)OCCCO5)nn2)CC3)cc1 ZINC001164678427 719525774 /nfs/dbraw/zinc/52/57/74/719525774.db2.gz KXEZPNUPRHWQAI-UHFFFAOYSA-N 1 2 490.579 4.315 20 0 JIADLO Fc1ccc(C[N@H+]2CCOCC23CCN(c2ccc(-c4ccc5c(c4)OCCCO5)nn2)CC3)cc1 ZINC001164678427 719525779 /nfs/dbraw/zinc/52/57/79/719525779.db2.gz KXEZPNUPRHWQAI-UHFFFAOYSA-N 1 2 490.579 4.315 20 0 JIADLO CC(=O)NC[C@H]1c2[nH+]cn(C(C)C)c2CCN1C(F)(F)c1ccc(-c2ccc(Cl)nn2)cc1 ZINC001164726479 720315938 /nfs/dbraw/zinc/31/59/38/720315938.db2.gz ZRCAAASKEIHQHM-FQEVSTJZSA-N 1 2 474.943 4.359 20 0 JIADLO FC(F)(c1nc2cc(Cl)c(Cl)cc2nc1Cl)N1CCCn2nnc(Cn3cc[nH+]c3)c2C1 ZINC001164830546 720397597 /nfs/dbraw/zinc/39/75/97/720397597.db2.gz SCGOEAVXOLGTSK-UHFFFAOYSA-N 1 2 499.740 4.382 20 0 JIADLO CCOC(=O)c1sc2nc(C[NH+]3CCCCC3)nc(N3CCC[C@]4(CCC(=O)N4)[C@@H]3CC)c2c1C ZINC001164843758 720754989 /nfs/dbraw/zinc/75/49/89/720754989.db2.gz AMYIFHVNHZICPF-QYBDOPJKSA-N 1 2 499.681 4.190 20 0 JIADLO O=c1cc(Cn2cc[nH+]c2)nc2n1CCCN(C(F)(F)Oc1ccc(-c3ccnc(Cl)c3)cc1)C2 ZINC001164856885 720895866 /nfs/dbraw/zinc/89/58/66/720895866.db2.gz HPLXYEPTONNBNU-UHFFFAOYSA-N 1 2 498.921 4.039 20 0 JIADLO FC(F)(c1ccc2cnc(Cl)nc2c1)N1Cc2c[nH+]cn2C[C@H](COc2cccnc2)C1 ZINC001164767075 721274538 /nfs/dbraw/zinc/27/45/38/721274538.db2.gz FKKDYBNADYKAOP-HNNXBMFYSA-N 1 2 456.884 4.135 20 0 JIADLO FC(F)(c1cc(-c2ccco2)nnc1Cl)N1Cc2c[nH+]cn2C[C@@H](COc2cccnc2)C1 ZINC001164770059 721275582 /nfs/dbraw/zinc/27/55/82/721275582.db2.gz TZFADQXOYCPLSM-OAHLLOKOSA-N 1 2 472.883 4.242 20 0 JIADLO Clc1nc(-c2ccccn2)c(-c2ccccn2)nc1N1CC[NH+](CCOc2ccccc2)CC1 ZINC001165047003 721961956 /nfs/dbraw/zinc/96/19/56/721961956.db2.gz QYGMPBDHPGQUST-UHFFFAOYSA-N 1 2 472.980 4.455 20 0 JIADLO CC(=O)N(C)C1CCN(c2nnc(COc3cc(C)cc(C)c3)n2CCCc2cccc(C)[nH+]2)CC1 ZINC001359354180 1069438356 /nfs/dbraw/zinc/43/83/56/1069438356.db2.gz BYWMUOXKMDQNNL-UHFFFAOYSA-N 1 2 490.652 4.257 20 0 JIADLO CC(C)=CCCn1c(-c2ccc[nH]2)nnc1N1CC[NH+](CCOc2ccccc2Cl)CC1 ZINC001359609046 1070071775 /nfs/dbraw/zinc/07/17/75/1070071775.db2.gz UKVGGEBSRAKQQI-UHFFFAOYSA-N 1 2 455.006 4.484 20 0 JIADLO CC(C)=CCCn1c(Cc2ccc(Cl)cc2)nnc1N1CC[NH+](Cc2cc(C)no2)CC1 ZINC001359610945 1070073413 /nfs/dbraw/zinc/07/34/13/1070073413.db2.gz QZFMIJLGWLKERC-UHFFFAOYSA-N 1 2 455.006 4.497 20 0 JIADLO CC(C)=CCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC001359612669 1070075998 /nfs/dbraw/zinc/07/59/98/1070075998.db2.gz XQWWVSRERRTDEQ-UHFFFAOYSA-N 1 2 477.661 4.044 20 0 JIADLO CC(C)c1nnc(N2CCc3c(cc[nH+]c3N(C)C)C2)n1C[C@@H](c1c(F)cccc1F)N(C)C ZINC001359703258 1070368976 /nfs/dbraw/zinc/36/89/76/1070368976.db2.gz XMQBBZNUYOYLQU-NRFANRHFSA-N 1 2 469.584 4.006 20 0 JIADLO COc1ccc(C[NH+]2CCN(c3nnc(Cc4ccccn4)n3CCCC(F)(F)F)CC2)cc1F ZINC001315504470 1064414605 /nfs/dbraw/zinc/41/46/05/1064414605.db2.gz FCMAHNKEYGIAPT-UHFFFAOYSA-N 1 2 492.521 4.076 20 0 JIADLO COc1ccc(F)cc1Cn1c(C(C)C)nnc1N(C)C[C@H](c1cccs1)[NH+]1CCOCC1 ZINC001315510498 1064441897 /nfs/dbraw/zinc/44/18/97/1064441897.db2.gz VTZQCOFUKYOQNW-HXUWFJFHSA-N 1 2 473.618 4.169 20 0 JIADLO COc1cccc(-c2nnc(N(CC(C)C)C(C)C)n2Cc2ccc[nH+]c2N2CCOCC2)c1 ZINC001315555954 1064575207 /nfs/dbraw/zinc/57/52/07/1064575207.db2.gz FNZHOASLPGGKKS-UHFFFAOYSA-N 1 2 464.614 4.104 20 0 JIADLO COc1ccccc1-c1nnc(N2CCC(C(F)(F)F)CC2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001315599065 1064703692 /nfs/dbraw/zinc/70/36/92/1064703692.db2.gz OWEBGVJQOWDTFW-UHFFFAOYSA-N 1 2 460.504 4.242 20 0 JIADLO COc1ccccc1Cc1nnc(N(Cc2ccco2)C(C)C)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001315617329 1064746885 /nfs/dbraw/zinc/74/68/85/1064746885.db2.gz FUFNDGVFYOOXNI-UHFFFAOYSA-N 1 2 460.582 4.395 20 0 JIADLO COc1ccccc1Cc1nnc(N2CCC=C(Br)C2)n1CCCNc1cccc[nH+]1 ZINC001315626334 1064769696 /nfs/dbraw/zinc/76/96/96/1064769696.db2.gz SELXDDAOOQYSRB-UHFFFAOYSA-N 1 2 483.414 4.264 20 0 JIADLO COc1ccccc1SCc1nnc(N2CCC[C@@H](C(F)(F)F)C2)n1CC[N@@H+]1CCOC[C@H]1C ZINC001315665393 1064878341 /nfs/dbraw/zinc/87/83/41/1064878341.db2.gz BMLXIXPPZOJBCJ-QZTJIDSGSA-N 1 2 499.603 4.078 20 0 JIADLO COc1ccccc1SCc1nnc(N2CCC[C@@H](C(F)(F)F)C2)n1CC[N@H+]1CCOC[C@H]1C ZINC001315665393 1064878345 /nfs/dbraw/zinc/87/83/45/1064878345.db2.gz BMLXIXPPZOJBCJ-QZTJIDSGSA-N 1 2 499.603 4.078 20 0 JIADLO COc1ccccc1SCc1nnc(N2CC[C@@H](C)C(C)(C)C2)n1CC[N@@H+]1CCOC[C@H]1C ZINC001315665954 1064880762 /nfs/dbraw/zinc/88/07/62/1064880762.db2.gz USEQQLRCPFOGBC-WOJBJXKFSA-N 1 2 473.687 4.172 20 0 JIADLO COc1ccccc1SCc1nnc(N2CC[C@@H](C)C(C)(C)C2)n1CC[N@H+]1CCOC[C@H]1C ZINC001315665954 1064880763 /nfs/dbraw/zinc/88/07/63/1064880763.db2.gz USEQQLRCPFOGBC-WOJBJXKFSA-N 1 2 473.687 4.172 20 0 JIADLO COc1ccccc1SCc1nnc(N2CC[C@H](C(C)(C)C)C2)n1CC[N@@H+]1CCOC[C@H]1C ZINC001315666007 1064881218 /nfs/dbraw/zinc/88/12/18/1064881218.db2.gz VMNSGGMARVADOP-UXHICEINSA-N 1 2 473.687 4.172 20 0 JIADLO COc1ccccc1SCc1nnc(N2CC[C@H](C(C)(C)C)C2)n1CC[N@H+]1CCOC[C@H]1C ZINC001315666007 1064881226 /nfs/dbraw/zinc/88/12/26/1064881226.db2.gz VMNSGGMARVADOP-UXHICEINSA-N 1 2 473.687 4.172 20 0 JIADLO COc1ccccc1SCc1nnc(N2CCO[C@@H](C(C)(C)C)C2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001315666892 1064885170 /nfs/dbraw/zinc/88/51/70/1064885170.db2.gz ABOXWMCULDRRDT-JOCHJYFZSA-N 1 2 496.681 4.340 20 0 JIADLO COc1ccccc1SCc1nnc(N2CCO[C@H](C(C)(C)C)C2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001315666893 1064885238 /nfs/dbraw/zinc/88/52/38/1064885238.db2.gz ABOXWMCULDRRDT-QFIPXVFZSA-N 1 2 496.681 4.340 20 0 JIADLO COc1cc[nH+]cc1Cn1c(-c2ccccc2)nnc1N1CCC(C)(NC(=O)OC(C)(C)C)CC1 ZINC001315669446 1064896796 /nfs/dbraw/zinc/89/67/96/1064896796.db2.gz LABASOCHGKKRSK-UHFFFAOYSA-N 1 2 478.597 4.281 20 0 JIADLO COc1cc[nH+]cc1Cn1c(-c2ccc(C)c(Br)c2)nnc1N1CC[C@H](C)[C@@H](OC)C1 ZINC001315669444 1064896832 /nfs/dbraw/zinc/89/68/32/1064896832.db2.gz KZUDGJMXWFJVMX-KKSFZXQISA-N 1 2 486.414 4.329 20 0 JIADLO COc1cc[nH+]cc1Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCCC[C@@H](SC)C1 ZINC001315670042 1064898557 /nfs/dbraw/zinc/89/85/57/1064898557.db2.gz GQIYTGMTWKZVCL-OAQYLSRUSA-N 1 2 480.638 4.321 20 0 JIADLO COc1cc[nH+]cc1Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCN(CC(F)F)CC1 ZINC001315670476 1064898966 /nfs/dbraw/zinc/89/89/66/1064898966.db2.gz ZUMQKXHENRCCDR-UHFFFAOYSA-N 1 2 470.568 4.082 20 0 JIADLO COc1cc[nH+]cc1Cn1c(-c2ccc(Cl)nc2)nnc1N(C)Cc1ccc(OC)c(OC)c1 ZINC001315670254 1064899137 /nfs/dbraw/zinc/89/91/37/1064899137.db2.gz VLKVDVYIJZVLNR-UHFFFAOYSA-N 1 2 480.956 4.099 20 0 JIADLO COc1cc[nH+]cc1Cn1c(CCc2ccccc2)nnc1N1CCC(C)=C(Br)C1 ZINC001315671962 1064902228 /nfs/dbraw/zinc/90/22/28/1064902228.db2.gz NEGHOPVVSPFAEK-UHFFFAOYSA-N 1 2 468.399 4.394 20 0 JIADLO COc1cc[nH+]cc1Cn1c(COc2ccc(C)c(C)c2)nnc1N(C)Cc1cscn1 ZINC001315673204 1064904956 /nfs/dbraw/zinc/90/49/56/1064904956.db2.gz VLQLPUQDMDFXGB-UHFFFAOYSA-N 1 2 450.568 4.019 20 0 JIADLO COc1cc[nH+]cc1Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCC(F)(F)CC1 ZINC001315673366 1064905964 /nfs/dbraw/zinc/90/59/64/1064905964.db2.gz ALQBBFIBGSMRSO-KRWDZBQOSA-N 1 2 478.544 4.038 20 0 JIADLO COCC(C)(C)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CC[NH+](Cc2cnc(C)s2)CC1 ZINC001315770898 1065091267 /nfs/dbraw/zinc/09/12/67/1065091267.db2.gz JPKXSXYBPVAXPY-UHFFFAOYSA-N 1 2 498.697 4.234 20 0 JIADLO COC[C@H](C)Cn1c(Cc2ccccc2C)nnc1N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC001315787366 1065124617 /nfs/dbraw/zinc/12/46/17/1065124617.db2.gz UECBJNRABPYEDS-HXUWFJFHSA-N 1 2 477.657 4.008 20 0 JIADLO COCC1(C)CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2C[C@H](C)[NH+]2CCOCC2)CC1 ZINC001315828955 1065187953 /nfs/dbraw/zinc/18/79/53/1065187953.db2.gz QMMYPYSPHAAMGS-PMACEKPBSA-N 1 2 492.064 4.045 20 0 JIADLO COCC1(C)CCN(c2nnc(CC(C)C)n2Cc2ccc(N3CCC(C)CC3)[nH+]c2)CC1 ZINC001315832439 1065198712 /nfs/dbraw/zinc/19/87/12/1065198712.db2.gz FIFJAIIHDMLAGD-UHFFFAOYSA-N 1 2 454.663 4.409 20 0 JIADLO COCCC1(Cn2c(N3CC[NH+](CCOc4ccccc4Cl)CC3)nnc2C(C)(C)C)CC1 ZINC001315989038 1065560231 /nfs/dbraw/zinc/56/02/31/1065560231.db2.gz ORUUMBAXDZMAII-UHFFFAOYSA-N 1 2 476.065 4.247 20 0 JIADLO COCCN(CC(C)C)c1nnc(-c2ccc(Cl)cc2)n1Cc1ccc(N2CCO[C@@H](C)C2)[nH+]c1 ZINC001316087614 1065741474 /nfs/dbraw/zinc/74/14/74/1065741474.db2.gz YZCSBOOGPYCRAX-FQEVSTJZSA-N 1 2 499.059 4.376 20 0 JIADLO COCCO[C@H](C)c1nnc(N2C[C@H](C)CC[C@H]2C)n1Cc1cc[nH+]c(N2CCCCC2)c1 ZINC001316158439 1065823837 /nfs/dbraw/zinc/82/38/37/1065823837.db2.gz CVKUGLUYRHYAJN-NJDAHSKKSA-N 1 2 456.635 4.061 20 0 JIADLO COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[C@@H](C(F)F)C2)n1C[C@H](c1c(F)cccc1F)[NH+](C)C ZINC001316290890 1066050746 /nfs/dbraw/zinc/05/07/46/1066050746.db2.gz PRJLTQHFLZGDMO-ZEVBXJOLSA-N 1 2 499.553 4.065 20 0 JIADLO CS[C@@H](C)Cn1c(-c2ccc(Br)cc2)nnc1N1CCc2c(cc[nH+]c2N(C)C)C1 ZINC001316374840 1066133467 /nfs/dbraw/zinc/13/34/67/1066133467.db2.gz HCEKPYLMYRDWMN-HNNXBMFYSA-N 1 2 487.471 4.483 20 0 JIADLO CSC[C@H]1CCCN1c1nnc([C@H]2CCCO2)n1C[C@H](c1c(F)cccc1F)[NH+](C)C ZINC001316442565 1066305401 /nfs/dbraw/zinc/30/54/01/1066305401.db2.gz MKLHAGUZEHVYHW-ATZDWAIDSA-N 1 2 451.587 4.043 20 0 JIADLO CSCCCn1c(-c2ccc(C)o2)nnc1N(C)C[C@H](c1cccs1)[NH+]1CCOCC1 ZINC001316474323 1066383155 /nfs/dbraw/zinc/38/31/55/1066383155.db2.gz FNOZGIOHIVVECY-GOSISDBHSA-N 1 2 461.657 4.171 20 0 JIADLO CSCCCn1c(-c2ccccc2Br)nnc1N1CC[NH+](Cc2cc(C)no2)CC1 ZINC001316475370 1066385656 /nfs/dbraw/zinc/38/56/56/1066385656.db2.gz XZZARKMXXWZEMC-UHFFFAOYSA-N 1 2 491.459 4.079 20 0 JIADLO Cc1ncc(CN(C)c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCCc2cccc(C)[nH+]2)s1 ZINC001492525286 1066404510 /nfs/dbraw/zinc/40/45/10/1066404510.db2.gz PBFYFQOILBNJKL-UHFFFAOYSA-N 1 2 496.662 4.086 20 0 JIADLO Cc1cccc(CCCn2c(-c3cc(Br)c[nH]3)nnc2N(C)CCC(F)F)[nH+]1 ZINC001492525695 1066406926 /nfs/dbraw/zinc/40/69/26/1066406926.db2.gz VSNYUYWCLSQNCH-UHFFFAOYSA-N 1 2 453.335 4.463 20 0 JIADLO Cc1cccc(CCCn2c(-c3cccc(Br)c3)nnc2N2CCCOCC2)[nH+]1 ZINC001492525726 1066407199 /nfs/dbraw/zinc/40/71/99/1066407199.db2.gz XJUYOGKEOZQDMA-UHFFFAOYSA-N 1 2 456.388 4.271 20 0 JIADLO Cc1cccc(CCCn2c([C@@H]3CCCOC3)nnc2N2CC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)[nH+]1 ZINC001492526176 1066413396 /nfs/dbraw/zinc/41/33/96/1066413396.db2.gz PGWXIGHMLGQSNU-BHIFYINESA-N 1 2 498.672 4.248 20 0 JIADLO Cc1cccc(CCCn2c(CSc3ccc(Cl)cc3)nnc2N2CCC[C@@H](C(N)=O)C2)[nH+]1 ZINC001492527666 1066423597 /nfs/dbraw/zinc/42/35/97/1066423597.db2.gz OTLAMNWAABWNIX-GOSISDBHSA-N 1 2 485.057 4.262 20 0 JIADLO FC(F)(F)SCCn1c(COc2ccc(Cl)cc2)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC001316517377 1066517817 /nfs/dbraw/zinc/51/78/17/1066517817.db2.gz NOWUYEBREJPUKZ-UHFFFAOYSA-N 1 2 498.962 4.485 20 0 JIADLO O=C(Nc1nc(C[NH+]2CCCCC2)cs1)c1cnc2scc(-c3ccccc3)n2c1=O ZINC001338311029 1066545914 /nfs/dbraw/zinc/54/59/14/1066545914.db2.gz PZIHINXZASPKSX-UHFFFAOYSA-N 1 2 451.577 4.118 20 0 JIADLO O=C(Oc1ccc2c(c1)CCC(=O)N2)c1cccnc1N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC001342620512 1066601429 /nfs/dbraw/zinc/60/14/29/1066601429.db2.gz GHSBHNJFXURYDY-UHFFFAOYSA-N 1 2 476.964 4.161 20 0 JIADLO CCN(CC)S(=O)(=O)c1cccc(-c2nn(C[N@@H+]3CC[C@@H]4CCCC[C@@H]4C3)c(=S)n2C)c1 ZINC001317700872 1066636135 /nfs/dbraw/zinc/63/61/35/1066636135.db2.gz WBYJCUOHIQOOSR-AZUAARDMSA-N 1 2 477.700 4.118 20 0 JIADLO CCN(CC)S(=O)(=O)c1cccc(-c2nn(C[N@H+]3CC[C@@H]4CCCC[C@@H]4C3)c(=S)n2C)c1 ZINC001317700872 1066636145 /nfs/dbraw/zinc/63/61/45/1066636145.db2.gz WBYJCUOHIQOOSR-AZUAARDMSA-N 1 2 477.700 4.118 20 0 JIADLO O=C(CCn1cnc2sccc2c1=O)O[C@H](Cn1cc[nH+]c1)c1ccc(Cl)cc1Cl ZINC001344821545 1066636340 /nfs/dbraw/zinc/63/63/40/1066636340.db2.gz RQAYBDMASAGBRN-QGZVFWFLSA-N 1 2 463.346 4.336 20 0 JIADLO O=C(O[C@H](Cn1cc[nH+]c1)c1ccc(Cl)cc1Cl)c1ccc2c(c1)nc1n(c2=O)CCC1 ZINC001345825505 1066647398 /nfs/dbraw/zinc/64/73/98/1066647398.db2.gz VONPGLIHSRSWHS-HXUWFJFHSA-N 1 2 469.328 4.444 20 0 JIADLO O=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1)C1(c2cccc(Br)c2)CCCC1 ZINC001347777521 1066698288 /nfs/dbraw/zinc/69/82/88/1066698288.db2.gz VIQRXZFKAGOOIM-JOCHJYFZSA-N 1 2 457.412 4.278 20 0 JIADLO O=C(NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)C1(c2cccc(Br)c2)CCCC1 ZINC001347777521 1066698299 /nfs/dbraw/zinc/69/82/99/1066698299.db2.gz VIQRXZFKAGOOIM-JOCHJYFZSA-N 1 2 457.412 4.278 20 0 JIADLO C[C@H]1CN(Cc2csc(NC(=O)N3CC[NH+](Cc4ccc(C(F)(F)F)cc4)CC3)n2)C[C@H](C)O1 ZINC001317846778 1066729564 /nfs/dbraw/zinc/72/95/64/1066729564.db2.gz XYZOHBNOPRAMDM-IRXDYDNUSA-N 1 2 497.587 4.121 20 0 JIADLO Cc1cc(CC(C)(C)C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)ccc1Br ZINC001348544945 1066755412 /nfs/dbraw/zinc/75/54/12/1066755412.db2.gz MJCDWTMZBMVZGU-NRFANRHFSA-N 1 2 459.428 4.343 20 0 JIADLO Cc1cc(CC(C)(C)C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)ccc1Br ZINC001348544945 1066755422 /nfs/dbraw/zinc/75/54/22/1066755422.db2.gz MJCDWTMZBMVZGU-NRFANRHFSA-N 1 2 459.428 4.343 20 0 JIADLO CCOc1ccc(NS(=O)(=O)c2cccc(NC(=O)[C@@H](C)n3cc[nH+]c3)c2)cc1Br ZINC001318007360 1066848506 /nfs/dbraw/zinc/84/85/06/1066848506.db2.gz GQAKMEZXFCWEEH-CQSZACIVSA-N 1 2 493.383 4.045 20 0 JIADLO C[C@H](C(=O)Nc1ccc(F)c(NC(=O)c2ccccc2I)c1)n1cc[nH+]c1 ZINC001318034699 1066862796 /nfs/dbraw/zinc/86/27/96/1066862796.db2.gz KJJYRBNVSLFEFW-GFCCVEGCSA-N 1 2 478.265 4.079 20 0 JIADLO CC(C)(C)OC(=O)NCC[N@H+](CC(=O)N1CCCc2cc(F)c(F)cc21)Cc1ccccc1 ZINC001349904567 1066894180 /nfs/dbraw/zinc/89/41/80/1066894180.db2.gz ITOOHGJGAZNXIH-UHFFFAOYSA-N 1 2 459.537 4.271 20 0 JIADLO CC(C)(C)OC(=O)NCC[N@@H+](CC(=O)N1CCCc2cc(F)c(F)cc21)Cc1ccccc1 ZINC001349904567 1066894183 /nfs/dbraw/zinc/89/41/83/1066894183.db2.gz ITOOHGJGAZNXIH-UHFFFAOYSA-N 1 2 459.537 4.271 20 0 JIADLO O=C(Nc1ncc(C(O)(C(F)(F)F)C(F)(F)F)s1)c1cccc(C[NH+]2CCCC2)c1 ZINC001318138066 1066919095 /nfs/dbraw/zinc/91/90/95/1066919095.db2.gz DDSRWCGCDVUXQX-UHFFFAOYSA-N 1 2 453.408 4.303 20 0 JIADLO Cc1cc(N2CCOCC2)ccc1NC(=O)[C@@H](c1cccc(Br)c1)[NH+]1CCCC1 ZINC001350237141 1066935515 /nfs/dbraw/zinc/93/55/15/1066935515.db2.gz JZXSTAVYEYGGRL-JOCHJYFZSA-N 1 2 458.400 4.370 20 0 JIADLO O=C(C[NH+]1CCC([C@@H]2C(=O)Nc3ccccc32)CC1)N1N=C(c2cccs2)C[C@@H]1c1ccco1 ZINC001318172492 1066938453 /nfs/dbraw/zinc/93/84/53/1066938453.db2.gz AKFAOXVFTHPJFK-BWKNWUBXSA-N 1 2 474.586 4.467 20 0 JIADLO O=C1Nc2ccccc2[C@H]1C1CC[NH+](CN2C(=O)N[C@](Cc3ccccc3)(c3ccccc3)C2=O)CC1 ZINC001318188534 1066948175 /nfs/dbraw/zinc/94/81/75/1066948175.db2.gz UUZSRHSZLRMKCD-PDDLMNHVSA-N 1 2 494.595 4.082 20 0 JIADLO O=C(Nc1ccc2nc(C[NH+]3CCCCC3)[nH]c2c1)[C@H]1CC(=O)N(Cc2ccccc2Cl)C1 ZINC001318209376 1066960192 /nfs/dbraw/zinc/96/01/92/1066960192.db2.gz CIUKJASZKXKTDP-SFHVURJKSA-N 1 2 465.985 4.189 20 0 JIADLO CSc1ccc([C@@H](CNC(=O)c2nnn(C(C)C)c2C)[N@@H+]2CCc3sccc3C2)cc1 ZINC001350520183 1066967164 /nfs/dbraw/zinc/96/71/64/1066967164.db2.gz JTXGKNJNBQORFA-HXUWFJFHSA-N 1 2 455.653 4.480 20 0 JIADLO CSc1ccc([C@@H](CNC(=O)c2nnn(C(C)C)c2C)[N@H+]2CCc3sccc3C2)cc1 ZINC001350520183 1066967177 /nfs/dbraw/zinc/96/71/77/1066967177.db2.gz JTXGKNJNBQORFA-HXUWFJFHSA-N 1 2 455.653 4.480 20 0 JIADLO O=C(CCNC(=O)C12CC3CC(CC(C3)C1)C2)Nc1ccc2nc(C[NH+]3CCCCC3)[nH]c2c1 ZINC001318229190 1066972257 /nfs/dbraw/zinc/97/22/57/1066972257.db2.gz APEPZYABCCMBNE-UHFFFAOYSA-N 1 2 463.626 4.210 20 0 JIADLO CC[C@@H](C)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)Nc1ccc2nc(C[NH+]3CCCCC3)[nH]c2c1 ZINC001318229501 1066972588 /nfs/dbraw/zinc/97/25/88/1066972588.db2.gz FNIKASIAWKVCHK-KBMIEXCESA-N 1 2 473.621 4.487 20 0 JIADLO O=C(Nc1ccc2nc(C[NH+]3CCCCC3)[nH]c2c1)[C@H]1CCCCN1C(=O)c1cccs1 ZINC001318229216 1066973057 /nfs/dbraw/zinc/97/30/57/1066973057.db2.gz BEBGFMSTKIELPG-HXUWFJFHSA-N 1 2 451.596 4.244 20 0 JIADLO CSCC[C@@H](NC(=O)c1ccccc1)C(=O)Nc1ccc2nc(C[NH+]3CCCCC3)[nH]c2c1 ZINC001318263438 1066990867 /nfs/dbraw/zinc/99/08/67/1066990867.db2.gz UOQOPSBYHNGEIH-OAQYLSRUSA-N 1 2 465.623 4.039 20 0 JIADLO Cc1nn(-c2ccccc2)c(C)c1C(=O)C(=O)Nc1ccc2[nH]c(C[NH+]3CCCCC3)nc2c1 ZINC001318268435 1066993236 /nfs/dbraw/zinc/99/32/36/1066993236.db2.gz HOZVDVCWPPWREM-UHFFFAOYSA-N 1 2 456.550 4.173 20 0 JIADLO O=C(CCNC(=O)c1ccc2ccccc2c1)Nc1ccc2nc(C[NH+]3CCCCC3)[nH]c2c1 ZINC001318270177 1066994190 /nfs/dbraw/zinc/99/41/90/1066994190.db2.gz JVYZACPFHLFFGN-UHFFFAOYSA-N 1 2 455.562 4.461 20 0 JIADLO Cc1nc2scc(-c3ccccc3)c2c(N2CC[NH+](CCNC(=O)c3ccccc3F)CC2)n1 ZINC001318340066 1067023384 /nfs/dbraw/zinc/02/33/84/1067023384.db2.gz JEADIMPENBNJGJ-UHFFFAOYSA-N 1 2 475.593 4.358 20 0 JIADLO Cc1cc(NC(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)n(-c2cccc(C(F)(F)F)c2)n1 ZINC001318342840 1067025069 /nfs/dbraw/zinc/02/50/69/1067025069.db2.gz LOWPUISPAVUCPM-NRFANRHFSA-N 1 2 473.499 4.222 20 0 JIADLO Cc1cc(NC(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)n(-c2cccc(C(F)(F)F)c2)n1 ZINC001318342840 1067025084 /nfs/dbraw/zinc/02/50/84/1067025084.db2.gz LOWPUISPAVUCPM-NRFANRHFSA-N 1 2 473.499 4.222 20 0 JIADLO O=C(CC[C@H]1NC(=O)N(c2ccc(Cl)cc2)C1=O)Nc1ccc2nc(C[NH+]3CCCCC3)[nH]c2c1 ZINC001318347594 1067026889 /nfs/dbraw/zinc/02/68/89/1067026889.db2.gz LENMMUYSLXJOSM-HXUWFJFHSA-N 1 2 494.983 4.046 20 0 JIADLO Cc1c(C(=O)Nc2ccc3nc(C[NH+]4CCCCC4)[nH]c3c2)nnn1-c1ccc2ncccc2c1 ZINC001318412197 1067039509 /nfs/dbraw/zinc/03/95/09/1067039509.db2.gz ASAYDWNGQOOULE-UHFFFAOYSA-N 1 2 466.549 4.238 20 0 JIADLO COc1cc[nH+]cc1Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCC[C@@H](C)C1 ZINC001300692347 1067041696 /nfs/dbraw/zinc/04/16/96/1067041696.db2.gz DVNSLPYXVFFJFZ-GOSISDBHSA-N 1 2 451.571 4.429 20 0 JIADLO COc1cc[nH+]cc1Cn1c(-c2cccc(OC(F)F)c2)nnc1N1C[C@H](C)S[C@@H](C)C1 ZINC001300692827 1067042551 /nfs/dbraw/zinc/04/25/51/1067042551.db2.gz BVFIIPNQFTYIAW-GJZGRUSLSA-N 1 2 461.538 4.329 20 0 JIADLO COc1cc[nH+]cc1Cn1c(-c2cc(Br)cn2C)nnc1N1CCC(C)=C(C)C1 ZINC001300693311 1067044264 /nfs/dbraw/zinc/04/42/64/1067044264.db2.gz DQSWVHPACJZZQE-UHFFFAOYSA-N 1 2 457.376 4.045 20 0 JIADLO COc1cc[nH+]cc1Cn1c(Cn2nc(C)cc2C)nnc1N(C)C/C(C)=C\c1ccccc1 ZINC001300694909 1067050117 /nfs/dbraw/zinc/05/01/17/1067050117.db2.gz HKQDRXRRYAJLIH-UYRXBGFRSA-N 1 2 457.582 4.131 20 0 JIADLO COc1cc[nH+]cc1Cn1c(COc2cc(C)cc(C)c2)nnc1N(C)Cc1cnc(C(C)C)nc1 ZINC001300695073 1067051012 /nfs/dbraw/zinc/05/10/12/1067051012.db2.gz KFSBDGHLIBPUGD-UHFFFAOYSA-N 1 2 487.608 4.476 20 0 JIADLO COc1cc[nH+]cc1Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)CCC(C)C ZINC001300696208 1067053554 /nfs/dbraw/zinc/05/35/54/1067053554.db2.gz BCXKJXHOXWXGPV-IBGZPJMESA-N 1 2 472.634 4.327 20 0 JIADLO COc1cc[nH+]cc1Cn1c(CC(C)(C)C)nnc1N1CCC(O)(Cc2ccc(F)cc2)CC1 ZINC001300696745 1067054886 /nfs/dbraw/zinc/05/48/86/1067054886.db2.gz HVURNELOTOPEPY-UHFFFAOYSA-N 1 2 467.589 4.032 20 0 JIADLO COc1cc[nH+]cc1Cn1c(CC(C)(C)C)nnc1N1CCO[C@H](c2ccc(OC(F)F)cc2)C1 ZINC001300697328 1067055719 /nfs/dbraw/zinc/05/57/19/1067055719.db2.gz QUNHNXMNAWHPOR-NRFANRHFSA-N 1 2 487.551 4.498 20 0 JIADLO COc1cc[nH+]cc1Cn1c(N(Cc2cccc(F)c2)C[C@H]2CCCO2)nnc1C(C)(C)C ZINC001300701724 1067062524 /nfs/dbraw/zinc/06/25/24/1067062524.db2.gz FFAZLEWYKAZZAK-OAQYLSRUSA-N 1 2 453.562 4.352 20 0 JIADLO Cc1cc(NC(=O)[C@H](C)n2cc[nH+]c2)ccc1NC(=O)c1ccccc1I ZINC001320179430 1067087008 /nfs/dbraw/zinc/08/70/08/1067087008.db2.gz NEJKJKLGMKXMCM-AWEZNQCLSA-N 1 2 474.302 4.248 20 0 JIADLO CCOC(=O)c1sc(-c2ccccc2)cc1NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001351514313 1067114367 /nfs/dbraw/zinc/11/43/67/1067114367.db2.gz FZIVVWGXAJNQFG-NRFANRHFSA-N 1 2 450.560 4.431 20 0 JIADLO CCOC(=O)c1sc(-c2ccccc2)cc1NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001351514313 1067114379 /nfs/dbraw/zinc/11/43/79/1067114379.db2.gz FZIVVWGXAJNQFG-NRFANRHFSA-N 1 2 450.560 4.431 20 0 JIADLO O=C(COC(=O)CC1c2ccccc2Oc2ccccc21)NCc1ccccc1C[NH+]1CCOCC1 ZINC001321620472 1067177878 /nfs/dbraw/zinc/17/78/78/1067177878.db2.gz BFRMEEJHPMLQRI-UHFFFAOYSA-N 1 2 486.568 4.006 20 0 JIADLO Cc1ccc(NC(=O)[C@@H](c2ccccc2)[NH+]2CCSCC2)cc1I ZINC001351923788 1067244383 /nfs/dbraw/zinc/24/43/83/1067244383.db2.gz PZMQSRFSRQWGJM-GOSISDBHSA-N 1 2 452.361 4.328 20 0 JIADLO CCCN(Cc1nc2ccsc2c(=O)[nH]1)C(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1 ZINC001322525684 1067300796 /nfs/dbraw/zinc/30/07/96/1067300796.db2.gz WSPYILXUCUXDJO-INIZCTEOSA-N 1 2 455.584 4.234 20 0 JIADLO COC(=O)Cc1occ(C)c1C(=O)N1CC[NH+](Cc2ccc(-c3ccccc3F)s2)CC1 ZINC001352247783 1067317022 /nfs/dbraw/zinc/31/70/22/1067317022.db2.gz LZXLCCPYAXSZKU-UHFFFAOYSA-N 1 2 456.539 4.129 20 0 JIADLO CCCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C(=O)Cn1c(C)[nH+]c2cc(F)c(F)cc21 ZINC001352288967 1067325759 /nfs/dbraw/zinc/32/57/59/1067325759.db2.gz WUZOTMIECVMQBR-UHFFFAOYSA-N 1 2 459.884 4.364 20 0 JIADLO Cc1ccccc1[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](c1ccsc1)[NH+](C)C ZINC001492553368 1067346251 /nfs/dbraw/zinc/34/62/51/1067346251.db2.gz JOOYJLPWSZWRJQ-DWLFOUALSA-N 1 2 487.695 4.050 20 0 JIADLO COc1ccc(-c2nnc(N(C)Cc3cscn3)n2CCCc2cccc(C)[nH+]2)c(OC)c1 ZINC001300006442 1067355196 /nfs/dbraw/zinc/35/51/96/1067355196.db2.gz OSPDIBIVRYKCGR-UHFFFAOYSA-N 1 2 464.595 4.391 20 0 JIADLO Cc1ccc(NC(=O)[C@H](c2cccc(Br)c2)[NH+]2CCCC2)cc1N1CCOC1=O ZINC001355222726 1067391694 /nfs/dbraw/zinc/39/16/94/1067391694.db2.gz ITCJBQQAAFWAIL-FQEVSTJZSA-N 1 2 458.356 4.490 20 0 JIADLO C[C@H](C(=O)N1CC[NH+](Cc2ccc(-c3ccc(Br)cc3)s2)CC1)n1cccn1 ZINC001355359954 1067433800 /nfs/dbraw/zinc/43/38/00/1067433800.db2.gz ARULTAUVYOHDKU-MRXNPFEDSA-N 1 2 459.413 4.280 20 0 JIADLO CC(C)(C)OC(=O)N1CC[C@@H]2CCCC[C@H]2[C@H]1C(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC001355479808 1067482907 /nfs/dbraw/zinc/48/29/07/1067482907.db2.gz JSBGZXIAONKAPR-ZRBLBEILSA-N 1 2 452.599 4.363 20 0 JIADLO COc1ccc(CCNC(=S)NCc2c[nH+]cn2Cc2ccccc2C(F)(F)F)cc1OC ZINC001200087749 1067581896 /nfs/dbraw/zinc/58/18/96/1067581896.db2.gz DFOYOVASQJYEAN-UHFFFAOYSA-N 1 2 478.540 4.174 20 0 JIADLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C[C@@H]1c2ccccc2CN1C(=O)OC(C)(C)C ZINC001355847517 1067591062 /nfs/dbraw/zinc/59/10/62/1067591062.db2.gz CAUVLZQPUNWDHB-OAQYLSRUSA-N 1 2 452.555 4.047 20 0 JIADLO COc1cccc(OC)c1CC(=O)N1CC[NH+](Cc2ccc(-c3ccccc3F)s2)CC1 ZINC001355898813 1067602500 /nfs/dbraw/zinc/60/25/00/1067602500.db2.gz NWZJLPKLFHJUND-UHFFFAOYSA-N 1 2 454.567 4.458 20 0 JIADLO O=S(=O)(c1ccc(Cl)c2ccccc21)N1Cc2c[nH+]cn2C[C@@H](COCc2ccccn2)C1 ZINC001200107768 1067636837 /nfs/dbraw/zinc/63/68/37/1067636837.db2.gz HEYYWFQLCDUKAN-GOSISDBHSA-N 1 2 482.993 4.122 20 0 JIADLO C[C@H](NC(=O)c1cccc(Cn2cc[nH+]c2)c1)c1nc(-c2ccc(Br)cc2)no1 ZINC001356163310 1067678288 /nfs/dbraw/zinc/67/82/88/1067678288.db2.gz JMRYQXXINVXQBU-AWEZNQCLSA-N 1 2 452.312 4.235 20 0 JIADLO CC(=O)N1CC[C@H](NC(=O)[C@H](c2cccc(Br)c2)[NH+]2CCCC2)c2ccccc21 ZINC001356404730 1067745144 /nfs/dbraw/zinc/74/51/44/1067745144.db2.gz XBBKJJYMPAYZRO-UNMCSNQZSA-N 1 2 456.384 4.200 20 0 JIADLO O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)[C@H](Oc1ccccc1Br)c1ccccc1 ZINC001356555190 1067777500 /nfs/dbraw/zinc/77/75/00/1067777500.db2.gz OWBIJEZOVYWVJP-XMSQKQJNSA-N 1 2 452.352 4.359 20 0 JIADLO Clc1cc(Cl)cc(-c2nnc3ccc(NCc4cccc(OCC[NH+]5CCOCC5)c4)nn32)c1 ZINC000487981170 1067804946 /nfs/dbraw/zinc/80/49/46/1067804946.db2.gz YMMIPHJIIZBUPS-UHFFFAOYSA-N 1 2 499.402 4.421 20 0 JIADLO CC[C@@H](C)[C@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)c1ccc2nc(C(F)(F)F)cn2c1 ZINC001357247041 1067824142 /nfs/dbraw/zinc/82/41/42/1067824142.db2.gz OYRMQRDDOFVZCN-OXQOHEQNSA-N 1 2 459.516 4.429 20 0 JIADLO CC[C@@H](C)[C@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)c1ccc2nc(C(F)(F)F)cn2c1 ZINC001357247041 1067824144 /nfs/dbraw/zinc/82/41/44/1067824144.db2.gz OYRMQRDDOFVZCN-OXQOHEQNSA-N 1 2 459.516 4.429 20 0 JIADLO Cc1cnn(C)c1C(=O)N1CC[NH+](Cc2ccc(-c3cccc(Br)c3)s2)CC1 ZINC001352977242 1067824869 /nfs/dbraw/zinc/82/48/69/1067824869.db2.gz NHEBFBQELYYTND-UHFFFAOYSA-N 1 2 459.413 4.178 20 0 JIADLO CCCCN(C)c1ccc(NC(=O)N2CC[NH+]([C@@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)cc1 ZINC001200196473 1067830641 /nfs/dbraw/zinc/83/06/41/1067830641.db2.gz GCIFRFUPGJDCBF-JOCHJYFZSA-N 1 2 459.635 4.082 20 0 JIADLO COC(=O)CCSCc1cccc(NC(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)c1 ZINC001200215815 1067852013 /nfs/dbraw/zinc/85/20/13/1067852013.db2.gz UGWMIGWXNXYVGU-UHFFFAOYSA-N 1 2 456.612 4.427 20 0 JIADLO CCCOc1ccc(C(=O)NC2CC[NH+](CC(=O)Nc3ccccc3)CC2)c(OC(C)C)c1 ZINC001357583063 1067873857 /nfs/dbraw/zinc/87/38/57/1067873857.db2.gz PUACKXQKBZFRHH-UHFFFAOYSA-N 1 2 453.583 4.096 20 0 JIADLO Cc1ccccc1-c1nnc(N(C)Cc2ncc(Cl)n2C)n1CCCNc1cccc[nH+]1 ZINC001492558107 1067874725 /nfs/dbraw/zinc/87/47/25/1067874725.db2.gz JIXXEYNAOVBEDA-UHFFFAOYSA-N 1 2 450.978 4.174 20 0 JIADLO COc1cccc([C@H](O)C2CCN(C(=O)Nc3cccc([C@H](C)[NH+]4CCOCC4)c3)CC2)c1 ZINC001200233144 1067877349 /nfs/dbraw/zinc/87/73/49/1067877349.db2.gz NKFJAELQRJXWFZ-UQBPGWFLSA-N 1 2 453.583 4.066 20 0 JIADLO CO[C@H](c1ccc(Br)cc1)[C@H](C)NC(=O)Cn1c(C)[nH+]c2cc(F)c(F)cc21 ZINC001357730399 1067892106 /nfs/dbraw/zinc/89/21/06/1067892106.db2.gz CQBATFWHSFMLLC-YBTHPKLGSA-N 1 2 452.299 4.278 20 0 JIADLO COc1ccc(Cn2c(N(C)C[C@@H](c3cccs3)[NH+]3CCOCC3)nnc2C(C)(C)C)cc1F ZINC001300223609 1067895008 /nfs/dbraw/zinc/89/50/08/1067895008.db2.gz HDHZJSPCMCJFFE-FQEVSTJZSA-N 1 2 487.645 4.343 20 0 JIADLO COc1ccc(C[NH+]2CCN(c3nnc(CC(C)(C)C)n3Cc3ccc(Cl)nc3)CC2)cc1F ZINC001300232585 1067920750 /nfs/dbraw/zinc/92/07/50/1067920750.db2.gz ZOPBIGRINKJZJO-UHFFFAOYSA-N 1 2 487.023 4.433 20 0 JIADLO COc1ccc(F)cc1C[NH+]1CCN(c2nnc(C(C)C)n2C[C@H](C)c2c(C)noc2C)CC1 ZINC001300244861 1067963325 /nfs/dbraw/zinc/96/33/25/1067963325.db2.gz AFUSBCIPVPVWAB-KRWDZBQOSA-N 1 2 470.593 4.280 20 0 JIADLO Cc1ccc(-c2cnc(CCC(=O)N[C@H](c3ccc(Cl)cc3)[C@@H]3C[N@H+](C)CCO3)o2)cc1 ZINC001358071174 1068007247 /nfs/dbraw/zinc/00/72/47/1068007247.db2.gz BOESFMPXPRMVBF-WIOPSUGQSA-N 1 2 453.970 4.424 20 0 JIADLO Cc1ccc(-c2cnc(CCC(=O)N[C@H](c3ccc(Cl)cc3)[C@@H]3C[N@@H+](C)CCO3)o2)cc1 ZINC001358071174 1068007258 /nfs/dbraw/zinc/00/72/58/1068007258.db2.gz BOESFMPXPRMVBF-WIOPSUGQSA-N 1 2 453.970 4.424 20 0 JIADLO Cc1c(C(=O)N[C@@H](c2ccc(Cl)cc2)[C@@H]2C[N@H+](C)CCO2)cnn1-c1ccccc1Cl ZINC001358072686 1068010774 /nfs/dbraw/zinc/01/07/74/1068010774.db2.gz QFULJCBRCOZRPB-VXKWHMMOSA-N 1 2 459.377 4.289 20 0 JIADLO Cc1c(C(=O)N[C@@H](c2ccc(Cl)cc2)[C@@H]2C[N@@H+](C)CCO2)cnn1-c1ccccc1Cl ZINC001358072686 1068010788 /nfs/dbraw/zinc/01/07/88/1068010788.db2.gz QFULJCBRCOZRPB-VXKWHMMOSA-N 1 2 459.377 4.289 20 0 JIADLO COc1ccc(-c2ncc(C(=O)N[C@@H](c3ccc(Cl)cc3)[C@@H]3C[N@H+](C)CCO3)s2)cc1 ZINC001358073084 1068010967 /nfs/dbraw/zinc/01/09/67/1068010967.db2.gz SJQYVWOGKDMIGX-FPOVZHCZSA-N 1 2 457.983 4.274 20 0 JIADLO COc1ccc(-c2ncc(C(=O)N[C@@H](c3ccc(Cl)cc3)[C@@H]3C[N@@H+](C)CCO3)s2)cc1 ZINC001358073084 1068010985 /nfs/dbraw/zinc/01/09/85/1068010985.db2.gz SJQYVWOGKDMIGX-FPOVZHCZSA-N 1 2 457.983 4.274 20 0 JIADLO COc1ccc(C(=O)N(Cc2ccccc2)[C@@H](C)C[NH+]2CCOCC2)c(OC2CCCC2)c1 ZINC001358433652 1068090117 /nfs/dbraw/zinc/09/01/17/1068090117.db2.gz LXFJCKOJJVIJEF-NRFANRHFSA-N 1 2 452.595 4.380 20 0 JIADLO C[C@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)[C@H](C)Oc1ccccc1C(F)(F)F ZINC001358434993 1068090345 /nfs/dbraw/zinc/09/03/45/1068090345.db2.gz ZGNICZOTTZOECY-MOPGFXCFSA-N 1 2 450.501 4.222 20 0 JIADLO Cc1cc(N2CCN(C(=O)CSc3nnc(Nc4cccc(F)c4)s3)CC2)nc(C(C)C)[nH+]1 ZINC000515424311 1068264248 /nfs/dbraw/zinc/26/42/48/1068264248.db2.gz SXBCXUTXQIGKAJ-UHFFFAOYSA-N 1 2 487.630 4.084 20 0 JIADLO CC(C)CC(=O)N1CCC[N@@H+]([C@H](C)C(=O)Nc2cccc(CSc3ccccn3)c2)CC1 ZINC001473736510 1068280419 /nfs/dbraw/zinc/28/04/19/1068280419.db2.gz GPOUKGBAGXNWSB-HXUWFJFHSA-N 1 2 454.640 4.281 20 0 JIADLO CC(C)CC(=O)N1CCC[N@H+]([C@H](C)C(=O)Nc2cccc(CSc3ccccn3)c2)CC1 ZINC001473736510 1068280453 /nfs/dbraw/zinc/28/04/53/1068280453.db2.gz GPOUKGBAGXNWSB-HXUWFJFHSA-N 1 2 454.640 4.281 20 0 JIADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)c1c2ccccc2nc2c1CCC/C2=C/c1ccco1 ZINC000519507772 1068317152 /nfs/dbraw/zinc/31/71/52/1068317152.db2.gz HDYWPRNBSMRJEE-VXPUYCOJSA-N 1 2 483.572 4.486 20 0 JIADLO CCOc1ccc(C2(CNC(=O)c3cccc(CNc4cc[nH+]c(C)n4)c3)CCOCC2)cc1 ZINC000622327421 1068360873 /nfs/dbraw/zinc/36/08/73/1068360873.db2.gz DMBXVCXEVJDHHQ-UHFFFAOYSA-N 1 2 460.578 4.274 20 0 JIADLO Cc1ccc(NC(=O)NC[C@@H]2CCCN(C(=O)c3cccc(CNc4cc[nH+]c(C)n4)c3)C2)cc1 ZINC000622346938 1068360948 /nfs/dbraw/zinc/36/09/48/1068360948.db2.gz VCPKUPFLFQWJIL-QFIPXVFZSA-N 1 2 472.593 4.379 20 0 JIADLO Cc1nc(NCc2cccc(C(=O)N3C[C@H](CC(=O)N(C)C)c4cc(Cl)ccc43)c2)cc[nH+]1 ZINC000622389653 1068361540 /nfs/dbraw/zinc/36/15/40/1068361540.db2.gz WRNGZUDFPGSYRV-IBGZPJMESA-N 1 2 463.969 4.273 20 0 JIADLO CCOC(=O)C[C@@H](CNC(=O)[C@H](c1cccc(Br)c1)[NH+]1CCCC1)CC(C)C ZINC001300369201 1068415552 /nfs/dbraw/zinc/41/55/52/1068415552.db2.gz ROQAYYQMFODEIW-UWJYYQICSA-N 1 2 453.421 4.318 20 0 JIADLO COc1c(Br)cc(C[NH2+][C@H](CO)c2c(F)cccc2F)cc1Br ZINC001200425824 1068494814 /nfs/dbraw/zinc/49/48/14/1068494814.db2.gz XULXMNNCDPTYBP-CQSZACIVSA-N 1 2 451.105 4.322 20 0 JIADLO COc1cccc([C@H]2CCCN2c2nnc(C(=O)NC(C)C)n2CCCc2cccc(C)[nH+]2)c1 ZINC001300403770 1068562584 /nfs/dbraw/zinc/56/25/84/1068562584.db2.gz SXTBHPQXIHBUBC-HSZRJFAPSA-N 1 2 462.598 4.103 20 0 JIADLO COc1cc(CCC(=O)NC[C@H](c2ccc(SC)cc2)[N@@H+]2CCc3sccc3C2)on1 ZINC001353920404 1068755172 /nfs/dbraw/zinc/75/51/72/1068755172.db2.gz YMAZFBGNNDVWSC-HXUWFJFHSA-N 1 2 457.621 4.315 20 0 JIADLO COc1cc(CCC(=O)NC[C@H](c2ccc(SC)cc2)[N@H+]2CCc3sccc3C2)on1 ZINC001353920404 1068755181 /nfs/dbraw/zinc/75/51/81/1068755181.db2.gz YMAZFBGNNDVWSC-HXUWFJFHSA-N 1 2 457.621 4.315 20 0 JIADLO Cc1nc(NCc2cccc(C(=O)N(C3CCC3)C3CN(C(=O)OC(C)(C)C)C3)c2)cc[nH+]1 ZINC001300456503 1068776121 /nfs/dbraw/zinc/77/61/21/1068776121.db2.gz NBBQUJHXUBQWIP-UHFFFAOYSA-N 1 2 451.571 4.011 20 0 JIADLO COc1ccccc1Cc1nnc(N(CC(C)C)C2CCCC2)n1C[C@H](C)[NH+]1CCOCC1 ZINC001300546180 1068983937 /nfs/dbraw/zinc/98/39/37/1068983937.db2.gz GYTXWYGYIHQQHI-NRFANRHFSA-N 1 2 455.647 4.003 20 0 JIADLO COc1ccccc1Cc1nnc(N2CCN(c3cc(C)[nH+]c(C(C)C)n3)CC2)n1CCC(C)C ZINC001300574030 1069092240 /nfs/dbraw/zinc/09/22/40/1069092240.db2.gz YPNHHAYESCHYMI-UHFFFAOYSA-N 1 2 477.657 4.472 20 0 JIADLO COc1ccccc1O[C@@H](C)Cn1c(CC(C)(C)C)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC001300618142 1069235251 /nfs/dbraw/zinc/23/52/51/1069235251.db2.gz ARELPUGZZJIMNX-FQEVSTJZSA-N 1 2 464.614 4.064 20 0 JIADLO CCOC(=O)c1sc2nc(C[NH+]3CCCCC3)nc(N3CCC4(C[C@@H]4CCO)CC3)c2c1C ZINC001164393044 718811626 /nfs/dbraw/zinc/81/16/26/718811626.db2.gz PSEORVHNOJFIMV-SFHVURJKSA-N 1 2 472.655 4.151 20 0 JIADLO FC(F)(COc1ccnc(Cl)c1)N1CCO[C@H](c2[nH+]cn3c2cccc3Br)C1 ZINC001164417442 718889878 /nfs/dbraw/zinc/88/98/78/718889878.db2.gz KADROTNTMCBDQN-AWEZNQCLSA-N 1 2 473.705 4.190 20 0 JIADLO Fc1ccc(Cl)nc1C(F)(F)N1CCO[C@@H](c2[nH+]cn3c2cccc3Br)C1 ZINC001164417124 718889925 /nfs/dbraw/zinc/88/99/25/718889925.db2.gz ICUDUMBDQAVAQQ-GFCCVEGCSA-N 1 2 461.669 4.407 20 0 JIADLO CSc1nc(Cl)cc(C(F)(F)N2CCO[C@@H](c3[nH+]cn4c3cccc4Br)C2)n1 ZINC001164420784 718890136 /nfs/dbraw/zinc/89/01/36/718890136.db2.gz VWJNIUJIPOBDGC-LLVKDONJSA-N 1 2 490.761 4.385 20 0 JIADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nc3cnccc3cc1C(=O)OC)CC2 ZINC001164658574 719350920 /nfs/dbraw/zinc/35/09/20/719350920.db2.gz JKQQCFJFXKBIIQ-UHFFFAOYSA-N 1 2 482.588 4.111 20 0 JIADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nc3cnccc3cc1C(=O)OC)CC2 ZINC001164658574 719350923 /nfs/dbraw/zinc/35/09/23/719350923.db2.gz JKQQCFJFXKBIIQ-UHFFFAOYSA-N 1 2 482.588 4.111 20 0 JIADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ncnc3cc(Cl)cnc31)CC2 ZINC001164658593 719351534 /nfs/dbraw/zinc/35/15/34/719351534.db2.gz JZEVIBAMWOWDJB-UHFFFAOYSA-N 1 2 459.985 4.373 20 0 JIADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ncnc3cc(Cl)cnc31)CC2 ZINC001164658593 719351536 /nfs/dbraw/zinc/35/15/36/719351536.db2.gz JZEVIBAMWOWDJB-UHFFFAOYSA-N 1 2 459.985 4.373 20 0 JIADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nc(-c3ccccc3)nc(N(C)C)n1)CC2 ZINC001164660544 719351894 /nfs/dbraw/zinc/35/18/94/719351894.db2.gz UWGREIUZNPVSGK-UHFFFAOYSA-N 1 2 494.647 4.299 20 0 JIADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nc(-c3ccccc3)nc(N(C)C)n1)CC2 ZINC001164660544 719351896 /nfs/dbraw/zinc/35/18/96/719351896.db2.gz UWGREIUZNPVSGK-UHFFFAOYSA-N 1 2 494.647 4.299 20 0 JIADLO NC(=O)c1ccc(-c2c[nH+]c3n2CCC32CCN(C(F)(F)c3nc(Cl)ccc3F)CC2)cc1 ZINC001164695477 719829950 /nfs/dbraw/zinc/82/99/50/719829950.db2.gz DBPORNDANIMNKV-UHFFFAOYSA-N 1 2 475.902 4.323 20 0 JIADLO Cc1ccc(C(F)(F)N2CCC3(CCn4c(-c5ccc(C(N)=O)cc5)c[nH+]c43)CC2)nc1Cl ZINC001164695519 719830035 /nfs/dbraw/zinc/83/00/35/719830035.db2.gz DHXMJGULGJXFEA-UHFFFAOYSA-N 1 2 471.939 4.493 20 0 JIADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1C(F)(F)c1ccc2nc(Cl)cc(Cl)c2c1 ZINC001164701894 719851140 /nfs/dbraw/zinc/85/11/40/719851140.db2.gz LNXVZEDIXTVWBW-YCRPNKLZSA-N 1 2 488.362 4.319 20 0 JIADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1cc(-c2ccccc2)c2ccc(OC)cc2n1 ZINC001164704436 719868409 /nfs/dbraw/zinc/86/84/09/719868409.db2.gz MAEXSYSTIBMUJR-LYZGTLIUSA-N 1 2 475.589 4.143 20 0 JIADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4ncnc5cc(C(C)(C)C)sc54)CC3)C2=O)cs1 ZINC001164826534 720365025 /nfs/dbraw/zinc/36/50/25/720365025.db2.gz WVQRLBFIQUPREY-UHFFFAOYSA-N 1 2 484.695 4.067 20 0 JIADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4ncnc5cc(C(C)(C)C)sc54)CC3)C2=O)cs1 ZINC001164826534 720365031 /nfs/dbraw/zinc/36/50/31/720365031.db2.gz WVQRLBFIQUPREY-UHFFFAOYSA-N 1 2 484.695 4.067 20 0 JIADLO FC(F)(c1cc(Cl)nc(-c2ccccn2)n1)N1Cc2c[nH+]cn2C[C@H](COc2cccnc2)C1 ZINC001164766280 721275053 /nfs/dbraw/zinc/27/50/53/721275053.db2.gz BISSKYNOPQKPEL-INIZCTEOSA-N 1 2 483.910 4.044 20 0 JIADLO FC(F)(Oc1cccc(COc2cncc(Cl)n2)c1)N1C[C@@H]2C[N@@H+](Cc3nccs3)C[C@@H]2C1 ZINC001164784745 721436384 /nfs/dbraw/zinc/43/63/84/721436384.db2.gz MAAOMBCPOXKOSL-CALCHBBNSA-N 1 2 493.967 4.158 20 0 JIADLO FC(F)(Oc1cccc(COc2cncc(Cl)n2)c1)N1C[C@@H]2C[N@H+](Cc3nccs3)C[C@@H]2C1 ZINC001164784745 721436386 /nfs/dbraw/zinc/43/63/86/721436386.db2.gz MAAOMBCPOXKOSL-CALCHBBNSA-N 1 2 493.967 4.158 20 0 JIADLO CNC(=O)N[C@@H]1CC2(CCN(c3ncnc4c3C[N@H+](Cc3ccccc3)CC4)CC2)c2ccc(C)cc21 ZINC001164900606 721491832 /nfs/dbraw/zinc/49/18/32/721491832.db2.gz QRBPBCMNLFUFIN-HHHXNRCGSA-N 1 2 496.659 4.255 20 0 JIADLO CNC(=O)N[C@@H]1CC2(CCN(c3ncnc4c3C[N@@H+](Cc3ccccc3)CC4)CC2)c2ccc(C)cc21 ZINC001164900606 721491835 /nfs/dbraw/zinc/49/18/35/721491835.db2.gz QRBPBCMNLFUFIN-HHHXNRCGSA-N 1 2 496.659 4.255 20 0 JIADLO c1ccc(-c2ncc(N3CCO[C@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)nc2-c2ccccc2)cc1 ZINC001164916660 721781021 /nfs/dbraw/zinc/78/10/21/721781021.db2.gz RWDVXPYFENDFQH-SSEXGKCCSA-N 1 2 493.611 4.313 20 0 JIADLO c1ccc(-c2ncc(N3CCO[C@]4(C3)COCC[N@H+](Cc3cccnc3)C4)nc2-c2ccccc2)cc1 ZINC001164916660 721781027 /nfs/dbraw/zinc/78/10/27/721781027.db2.gz RWDVXPYFENDFQH-SSEXGKCCSA-N 1 2 493.611 4.313 20 0 JIADLO Clc1ccc(Cl)c2nc(N3CCO[C@]4(C3)COCC[N@H+](Cc3cccnc3)C4)ccc12 ZINC001164914497 721800098 /nfs/dbraw/zinc/80/00/98/721800098.db2.gz OFBLDVSPJHDWDY-HSZRJFAPSA-N 1 2 459.377 4.044 20 0 JIADLO Clc1ccc(Cl)c2nc(N3CCO[C@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)ccc12 ZINC001164914497 721800099 /nfs/dbraw/zinc/80/00/99/721800099.db2.gz OFBLDVSPJHDWDY-HSZRJFAPSA-N 1 2 459.377 4.044 20 0 JIADLO COc1cccc(-c2cc(C(F)(F)N3CCC4(CC3)c3ncc(C)n3CC[N@H+]4C)c(Cl)nn2)c1 ZINC001164919026 721822274 /nfs/dbraw/zinc/82/22/74/721822274.db2.gz KMIYHIKDAJIWDA-UHFFFAOYSA-N 1 2 488.970 4.297 20 0 JIADLO COc1cccc(-c2cc(C(F)(F)N3CCC4(CC3)c3ncc(C)n3CC[N@@H+]4C)c(Cl)nn2)c1 ZINC001164919026 721822276 /nfs/dbraw/zinc/82/22/76/721822276.db2.gz KMIYHIKDAJIWDA-UHFFFAOYSA-N 1 2 488.970 4.297 20 0 JIADLO c1ccc(C[N@@H+]2CCc3ncnc(N4CCC[C@@]5(C[C@H](OCC6CCCC6)CO5)C4)c3C2)cc1 ZINC001164981905 722164173 /nfs/dbraw/zinc/16/41/73/722164173.db2.gz SXKXLMYNTFYXMK-RBJSKKJNSA-N 1 2 462.638 4.370 20 0 JIADLO c1ccc(C[N@H+]2CCc3ncnc(N4CCC[C@@]5(C[C@H](OCC6CCCC6)CO5)C4)c3C2)cc1 ZINC001164981905 722164177 /nfs/dbraw/zinc/16/41/77/722164177.db2.gz SXKXLMYNTFYXMK-RBJSKKJNSA-N 1 2 462.638 4.370 20 0 JIADLO CC(C)c1nc2cc(NC(=O)N3CC[C@H]([NH+]4CCN(C(=O)OC(C)(C)C)CC4)C3)ccc2o1 ZINC001200714996 1069369193 /nfs/dbraw/zinc/36/91/93/1069369193.db2.gz XCUOWYLJBWQBON-SFHVURJKSA-N 1 2 457.575 4.110 20 0 JIADLO COc1ccccc1SCc1nnc(N2C[C@H](C)C[C@H](C)C2)n1CC(C)(C)[NH+]1CCOCC1 ZINC001300670858 1069404027 /nfs/dbraw/zinc/40/40/27/1069404027.db2.gz YPJQGELZLAUNME-BGYRXZFFSA-N 1 2 473.687 4.172 20 0 JIADLO CC(=O)N1CC[C@H](CN(C)c2nnc(COc3ccc(Cl)cc3)n2CCCc2cccc(C)[nH+]2)C1 ZINC001359363656 1069457116 /nfs/dbraw/zinc/45/71/16/1069457116.db2.gz WVHADVKXPVPEHD-OAQYLSRUSA-N 1 2 497.043 4.151 20 0 JIADLO CC(=O)N1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CCCc2cccc(C)[nH+]2)[C@@H](C)C1 ZINC001359386006 1069493488 /nfs/dbraw/zinc/49/34/88/1069493488.db2.gz REFBOPBCSFYIGL-KRWDZBQOSA-N 1 2 470.980 4.131 20 0 JIADLO CC(=O)NCC1CCN(c2nnc(COc3cc(C)cc(C)c3)n2CCCc2cccc(C)[nH+]2)CC1 ZINC001359443598 1069575632 /nfs/dbraw/zinc/57/56/32/1069575632.db2.gz FPYAPTXUCHKJGD-UHFFFAOYSA-N 1 2 490.652 4.163 20 0 JIADLO CC(C)(C)c1nnc(N2CCN(c3cccc[nH+]3)CC2)n1CCCCOCCc1ccccc1 ZINC001359513918 1069800115 /nfs/dbraw/zinc/80/01/15/1069800115.db2.gz NQNQIVGWUUUGFL-UHFFFAOYSA-N 1 2 462.642 4.337 20 0 JIADLO CO[C@H]1CN(c2nnc(-c3cccc(Br)c3)n2Cc2ccc(N(C)C)[nH+]c2)CC1(C)C ZINC001300794956 1069847174 /nfs/dbraw/zinc/84/71/74/1069847174.db2.gz FZQYXXOYIYYTQP-IBGZPJMESA-N 1 2 485.430 4.078 20 0 JIADLO CC(C)[C@](C)(O)Cn1c(CSc2ccc(Cl)cc2)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC001359655067 1070223618 /nfs/dbraw/zinc/22/36/18/1070223618.db2.gz OPUPSYHVRKOXAA-XMMPIXPASA-N 1 2 487.073 4.352 20 0 JIADLO CC(C)[C@@H](Cn1c(Cc2ccc(Cl)cc2)nnc1N(C)CC[NH+]1CCOCC1)c1cccnc1 ZINC001359664025 1070290212 /nfs/dbraw/zinc/29/02/12/1070290212.db2.gz YHXLKKCCJHGZDJ-XMMPIXPASA-N 1 2 483.060 4.126 20 0 JIADLO CC(C)c1nnc(N(C)Cc2cnc(C(C)C)nc2)n1C[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC001359673005 1070321230 /nfs/dbraw/zinc/32/12/30/1070321230.db2.gz MEXKJKATODIKJO-HSZRJFAPSA-N 1 2 463.630 4.025 20 0 JIADLO CC(C)c1nnc(N2CCC([C@@](C)(O)C(F)(F)F)CC2)n1Cc1ccc(N2CCCCC2)[nH+]c1 ZINC001359691894 1070349866 /nfs/dbraw/zinc/34/98/66/1070349866.db2.gz BBCALHZYSPZGOA-HSZRJFAPSA-N 1 2 480.579 4.365 20 0 JIADLO COc1ccc(CN(C)c2nnc([C@H]3CCCO3)n2CCCc2cccc(C)[nH+]2)cc1OC ZINC001315481540 1064343417 /nfs/dbraw/zinc/34/34/17/1064343417.db2.gz KRCHCYIXXZZNIY-JOCHJYFZSA-N 1 2 451.571 4.119 20 0 JIADLO COc1ccc(OCc2nnc(N3C[C@@H](C)[C@H](C(F)(F)F)C3)n2CCCNc2cccc[nH+]2)cc1 ZINC001315533959 1064522468 /nfs/dbraw/zinc/52/24/68/1064522468.db2.gz AMBPPQUXUFGOCV-YLJYHZDGSA-N 1 2 490.530 4.398 20 0 JIADLO COc1cccc(O[C@@H](C)Cn2c(C(C)C)nnc2N2CCN(c3cc(C)[nH+]c(C(C)C)n3)CC2)c1 ZINC001315586351 1064666034 /nfs/dbraw/zinc/66/60/34/1064666034.db2.gz ZEELJULALIFKLV-NRFANRHFSA-N 1 2 493.656 4.426 20 0 JIADLO COc1cc[nH+]cc1Cn1c(-c2ccc(Cl)cc2F)nnc1N1C[C@@H](C)O[C@H](C(F)(F)F)C1 ZINC001315668998 1064894731 /nfs/dbraw/zinc/89/47/31/1064894731.db2.gz GBYDMNTXWAWTPM-XIKOKIGWSA-N 1 2 485.869 4.346 20 0 JIADLO COc1cc[nH+]cc1Cn1c(COc2ccc(F)cc2)nnc1N1CCC[C@H](C(F)(F)F)C1 ZINC001315671691 1064901296 /nfs/dbraw/zinc/90/12/96/1064901296.db2.gz FMBWYAOEUVUMNF-INIZCTEOSA-N 1 2 465.451 4.227 20 0 JIADLO COc1cc[nH+]cc1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)CCOc1cccc(C)c1 ZINC001315673419 1064906824 /nfs/dbraw/zinc/90/68/24/1064906824.db2.gz BOVOWBHIYFOPEP-ISKFKSNPSA-N 1 2 479.625 4.472 20 0 JIADLO CO[C@@H]1CCCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2Cc2ccc(N(C)C)[nH+]c2)C1 ZINC001315708198 1064983302 /nfs/dbraw/zinc/98/33/02/1064983302.db2.gz UUMJWLUNVFLRPR-HSZRJFAPSA-N 1 2 478.641 4.279 20 0 JIADLO COC[C@@H](C)Cn1c(Cc2ccccc2C)nnc1N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC001315787363 1065124897 /nfs/dbraw/zinc/12/48/97/1065124897.db2.gz UECBJNRABPYEDS-FQEVSTJZSA-N 1 2 477.657 4.008 20 0 JIADLO COCC1(C)CCN(c2nnc(-c3cccc(C)n3)n2C[C@H](c2c(F)cccc2F)[NH+](C)C)CC1 ZINC001315830750 1065194359 /nfs/dbraw/zinc/19/43/59/1065194359.db2.gz IWTPDBRTVHIPED-JOCHJYFZSA-N 1 2 484.595 4.483 20 0 JIADLO COC[C@@H]1CCCCN(c2nnc(Cc3cccnc3)n2C[C@H](c2c(F)cccc2F)[NH+](C)C)C1 ZINC001315883044 1065324802 /nfs/dbraw/zinc/32/48/02/1065324802.db2.gz ULXKHUVFRQEIHP-NFBKMPQASA-N 1 2 484.595 4.098 20 0 JIADLO COC[C@@H]1CCCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@@H](c2c(F)cccc2F)[NH+](C)C)C1 ZINC001315890176 1065346683 /nfs/dbraw/zinc/34/66/83/1065346683.db2.gz IAGHUXOXMDAAPG-UZLBHIALSA-N 1 2 490.986 4.437 20 0 JIADLO COCCC(C)(C)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC001315959288 1065510124 /nfs/dbraw/zinc/51/01/24/1065510124.db2.gz WIWZRQRDASILAA-UHFFFAOYSA-N 1 2 469.033 4.307 20 0 JIADLO COCCCN(C)c1nnc(Cc2ccccc2C)n1Cc1ccc(N2CCCCCC2)[nH+]c1 ZINC001316024586 1065631730 /nfs/dbraw/zinc/63/17/30/1065631730.db2.gz IDAQVSWWQVXYQL-UHFFFAOYSA-N 1 2 462.642 4.474 20 0 JIADLO COCCN(c1nnc(-c2ccc(OC)cc2)n1Cc1ccc(N(C)C)[nH+]c1)[C@H]1CC[C@@H](C)C1 ZINC001316075635 1065714767 /nfs/dbraw/zinc/71/47/67/1065714767.db2.gz CYPYFFFDINRGGO-KNQAVFIVSA-N 1 2 464.614 4.104 20 0 JIADLO COCCN(c1nnc(-c2ccc(OC)cc2)n1Cc1ccc(N(C)C)[nH+]c1)[C@@H]1CC[C@@H](C)C1 ZINC001316075634 1065714887 /nfs/dbraw/zinc/71/48/87/1065714887.db2.gz CYPYFFFDINRGGO-DENIHFKCSA-N 1 2 464.614 4.104 20 0 JIADLO COCCO[C@H](C)c1nnc(N2CCC(Cl)=C(Cl)C2)n1Cc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC001316179263 1065859288 /nfs/dbraw/zinc/85/92/88/1065859288.db2.gz UGIJHWDMVOOVKX-OAHLLOKOSA-N 1 2 495.386 4.275 20 0 JIADLO CO[C@H]1CCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2CCCNc2cccc[nH+]2)C1 ZINC001316322116 1066077761 /nfs/dbraw/zinc/07/77/61/1066077761.db2.gz LDXFHZWEHVPUTL-RTWAWAEBSA-N 1 2 450.587 4.157 20 0 JIADLO CSC(C)(C)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC001316365009 1066103998 /nfs/dbraw/zinc/10/39/98/1066103998.db2.gz MFYQGYRNKUDGGJ-UHFFFAOYSA-N 1 2 489.596 4.113 20 0 JIADLO CSC(C)(C)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC001316372026 1066123861 /nfs/dbraw/zinc/12/38/61/1066123861.db2.gz OUNBIDRRZOXNFE-UHFFFAOYSA-N 1 2 466.655 4.337 20 0 JIADLO CS[C@H]1CCCCN(c2nnc(COc3ccccc3F)n2Cc2ccc(N(C)C)[nH+]c2)C1 ZINC001316428890 1066258288 /nfs/dbraw/zinc/25/82/88/1066258288.db2.gz BITORVJJURBHIE-IBGZPJMESA-N 1 2 470.618 4.227 20 0 JIADLO CC(C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccc2nc(C[NH+]3CCCCC3)[nH]c2c1 ZINC001325967854 1066276120 /nfs/dbraw/zinc/27/61/20/1066276120.db2.gz BLRNEXGUYDVTPA-VWLOTQADSA-N 1 2 486.620 4.352 20 0 JIADLO COc1cccc2cc(CNC(=O)NCc3cc[nH+]c(N4CCN(c5ccc(F)cc5)CC4)c3)oc21 ZINC001326130527 1066286555 /nfs/dbraw/zinc/28/65/55/1066286555.db2.gz RGOSQTLGRZDIMJ-UHFFFAOYSA-N 1 2 489.551 4.302 20 0 JIADLO CCOC(=O)C1C(C[N@@H+]2CCC[C@H]2c2cccc(OC)c2)=NC(=O)N[C@H]1c1ccc(Cl)cc1 ZINC001327303108 1066315334 /nfs/dbraw/zinc/31/53/34/1066315334.db2.gz JESMAJMLBGXKGD-GMAHTHKFSA-N 1 2 469.969 4.357 20 0 JIADLO CCOC(=O)C1C(C[N@H+]2CCC[C@H]2c2cccc(OC)c2)=NC(=O)N[C@H]1c1ccc(Cl)cc1 ZINC001327303108 1066315351 /nfs/dbraw/zinc/31/53/51/1066315351.db2.gz JESMAJMLBGXKGD-GMAHTHKFSA-N 1 2 469.969 4.357 20 0 JIADLO CCOC(=O)C1=C(C[N@@H+]2CCC[C@H]2c2cccc(OC)c2)NC(=O)N[C@H]1c1ccc(Cl)cc1 ZINC001327303108 1066315372 /nfs/dbraw/zinc/31/53/72/1066315372.db2.gz JESMAJMLBGXKGD-GMAHTHKFSA-N 1 2 469.969 4.357 20 0 JIADLO CCOC(=O)C1=C(C[N@H+]2CCC[C@H]2c2cccc(OC)c2)NC(=O)N[C@H]1c1ccc(Cl)cc1 ZINC001327303108 1066315395 /nfs/dbraw/zinc/31/53/95/1066315395.db2.gz JESMAJMLBGXKGD-GMAHTHKFSA-N 1 2 469.969 4.357 20 0 JIADLO CSCCCCn1c(Cc2ccccc2F)nnc1N1CC[NH+](Cc2cnc(C)s2)CC1 ZINC001316461735 1066357961 /nfs/dbraw/zinc/35/79/61/1066357961.db2.gz UASJIKDAAIZLJW-UHFFFAOYSA-N 1 2 474.675 4.238 20 0 JIADLO CSCCCN(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1C[C@@H](C)[NH+]1CCOCC1 ZINC001316464473 1066363210 /nfs/dbraw/zinc/36/32/10/1066363210.db2.gz BFKSOUZEQLTOTC-QZTJIDSGSA-N 1 2 463.717 4.041 20 0 JIADLO CSCCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC001316474282 1066381604 /nfs/dbraw/zinc/38/16/04/1066381604.db2.gz DFMGEDFJCZRKDN-UHFFFAOYSA-N 1 2 465.671 4.421 20 0 JIADLO Cc1cccc(CCCn2c(C(=O)N3CCCC3)nnc2N(Cc2cccc(F)c2)C(C)C)[nH+]1 ZINC001492525001 1066399630 /nfs/dbraw/zinc/39/96/30/1066399630.db2.gz FLOUQCAQVLFHOQ-UHFFFAOYSA-N 1 2 464.589 4.404 20 0 JIADLO Cc1cccc(CCCn2c(C(C)C)nnc2N2CCC[C@@H](CNC(=O)OC(C)(C)C)C2)[nH+]1 ZINC001492525293 1066404914 /nfs/dbraw/zinc/40/49/14/1066404914.db2.gz PECPHHXRQSYYPU-FQEVSTJZSA-N 1 2 456.635 4.479 20 0 JIADLO Cc1cccc(CCCn2c(-c3cccc(OC(F)F)c3)nnc2N2C[C@@H](C)O[C@H](C)C2)[nH+]1 ZINC001492525258 1066404961 /nfs/dbraw/zinc/40/49/61/1066404961.db2.gz OCISIYUVIFTPSN-QZTJIDSGSA-N 1 2 457.525 4.496 20 0 JIADLO Cc1cccc(CCCn2c(-c3ccccc3)nnc2N2CCN([C@@H](C)C(F)(F)F)CC2)[nH+]1 ZINC001492525952 1066410403 /nfs/dbraw/zinc/41/04/03/1066410403.db2.gz JLRZBKXIGAOSRJ-IBGZPJMESA-N 1 2 458.532 4.354 20 0 JIADLO Cc1cccc(CCCn2c(-c3ccccn3)nnc2N2CC[C@H](CNC(=O)OC(C)(C)C)C2)[nH+]1 ZINC001492526211 1066413447 /nfs/dbraw/zinc/41/34/47/1066413447.db2.gz QBDRNNHCPVLFPD-HXUWFJFHSA-N 1 2 477.613 4.027 20 0 JIADLO Cc1cccc(CCCn2c(CC3CC3)nnc2N2CCC[C@H](CNC(=O)OC(C)(C)C)C2)[nH+]1 ZINC001492526921 1066418481 /nfs/dbraw/zinc/41/84/81/1066418481.db2.gz PVTZMQDUNNNXLT-OAQYLSRUSA-N 1 2 468.646 4.308 20 0 JIADLO Cc1cccc(CCCn2c([C@H]3COCCN3C(=O)OC(C)(C)C)nnc2N(C)CCC2CC2)[nH+]1 ZINC001492527073 1066419703 /nfs/dbraw/zinc/41/97/03/1066419703.db2.gz VNOJMSBTOSJREE-JOCHJYFZSA-N 1 2 484.645 4.159 20 0 JIADLO Cc1cccc(CCCn2c(Cc3ccc(F)cc3)nnc2N(C)CCc2nccs2)[nH+]1 ZINC001492527383 1066420928 /nfs/dbraw/zinc/42/09/28/1066420928.db2.gz ZYLLYNPFIYFUKA-UHFFFAOYSA-N 1 2 450.587 4.480 20 0 JIADLO Cc1cccc(CCCn2c([C@H]3CCCO3)nnc2N2CCC(CNC(=O)OC(C)(C)C)CC2)[nH+]1 ZINC001492527698 1066425216 /nfs/dbraw/zinc/42/52/16/1066425216.db2.gz PSBZZVBGECFSPM-JOCHJYFZSA-N 1 2 484.645 4.207 20 0 JIADLO FC(F)(F)Cn1c(=S)n(C[N@@H+]2CCCN3c4ccccc4C[C@H]3C2)nc1-c1ccncc1 ZINC001335874912 1066425949 /nfs/dbraw/zinc/42/59/49/1066425949.db2.gz PNAFILYYSGUGIR-SFHVURJKSA-N 1 2 460.529 4.133 20 0 JIADLO FC(F)(F)Cn1c(=S)n(C[N@H+]2CCCN3c4ccccc4C[C@H]3C2)nc1-c1ccncc1 ZINC001335874912 1066425955 /nfs/dbraw/zinc/42/59/55/1066425955.db2.gz PNAFILYYSGUGIR-SFHVURJKSA-N 1 2 460.529 4.133 20 0 JIADLO C[NH+](C)CCN(Cc1ccccc1)C(=O)c1cc(Br)cc(Br)c1O ZINC001336972843 1066452825 /nfs/dbraw/zinc/45/28/25/1066452825.db2.gz VNQBEXBMDWRUIT-UHFFFAOYSA-N 1 2 456.178 4.121 20 0 JIADLO CC(C)(C)c1ccc([C@@]2(C)NC(=O)N(C[NH+]3CCC([C@H]4c5ccccc5NC4=O)CC3)C2=O)cc1 ZINC001338310063 1066545092 /nfs/dbraw/zinc/54/50/92/1066545092.db2.gz IRHNQOSLEYUYMU-NEKDWFFYSA-N 1 2 474.605 4.157 20 0 JIADLO NC(=O)[C@H]1CCCN(c2ccc(C(=O)NCc3ccccc3-c3ccc(Cn4cc[nH+]c4)cc3)cc2)C1 ZINC001338557049 1066563725 /nfs/dbraw/zinc/56/37/25/1066563725.db2.gz MQBMZDQIEVPBHS-SANMLTNESA-N 1 2 493.611 4.230 20 0 JIADLO Cc1cccc([C@@H](Cn2c(C(C)C)nnc2N(C)Cc2cnc(C(C)C)nc2)[NH+]2CCOCC2)c1 ZINC001492480000 1066625819 /nfs/dbraw/zinc/62/58/19/1066625819.db2.gz JLMSASIZACOWMD-XMMPIXPASA-N 1 2 477.657 4.333 20 0 JIADLO COc1ccc(C(=O)O[C@H](Cn2cc[nH+]c2)c2ccc(Cl)cc2Cl)cc1S(=O)(=O)N(C)C ZINC001345824370 1066647496 /nfs/dbraw/zinc/64/74/96/1066647496.db2.gz MFPCASMMQPOLTN-LJQANCHMSA-N 1 2 498.388 4.047 20 0 JIADLO Cc1cccc2sc(C(=O)OCC(=O)Nc3ccc(C[NH+]4CCOCC4)cc3)c(Cl)c21 ZINC001317772138 1066679879 /nfs/dbraw/zinc/67/98/79/1066679879.db2.gz NPMWYSFQLZKVOP-UHFFFAOYSA-N 1 2 458.967 4.491 20 0 JIADLO C[C@H](Sc1ccnc2cc(Cl)ccc21)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001347777110 1066697473 /nfs/dbraw/zinc/69/74/73/1066697473.db2.gz RMIXGFGYARBEBJ-FXAWDEMLSA-N 1 2 456.011 4.386 20 0 JIADLO C[C@H](Sc1ccnc2cc(Cl)ccc21)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001347777110 1066697487 /nfs/dbraw/zinc/69/74/87/1066697487.db2.gz RMIXGFGYARBEBJ-FXAWDEMLSA-N 1 2 456.011 4.386 20 0 JIADLO O=C(NCc1cc[nH+]c(N2CCN(c3ccc(F)cc3)CC2)c1)c1csc(-c2ccco2)n1 ZINC001317882147 1066751579 /nfs/dbraw/zinc/75/15/79/1066751579.db2.gz RMKYSHXJNUNSOI-UHFFFAOYSA-N 1 2 463.538 4.194 20 0 JIADLO O=C(C[N@H+]1CCC[C@H]1c1cccc(Cl)c1)Nc1cccc(S(=O)(=O)NC2=NCCCCC2)c1 ZINC001317885304 1066754077 /nfs/dbraw/zinc/75/40/77/1066754077.db2.gz NHSLOEDVRABKGE-QFIPXVFZSA-N 1 2 489.041 4.366 20 0 JIADLO O=C(C[N@@H+]1CCC[C@H]1c1cccc(Cl)c1)Nc1cccc(S(=O)(=O)NC2=NCCCCC2)c1 ZINC001317885304 1066754092 /nfs/dbraw/zinc/75/40/92/1066754092.db2.gz NHSLOEDVRABKGE-QFIPXVFZSA-N 1 2 489.041 4.366 20 0 JIADLO COc1ccccc1C1(C(=O)N2CC[NH+](CCCc3nc(-c4ccc(C)cc4)no3)CC2)CCC1 ZINC001318150640 1066926062 /nfs/dbraw/zinc/92/60/62/1066926062.db2.gz AEJYRDAGHGTQJV-UHFFFAOYSA-N 1 2 474.605 4.252 20 0 JIADLO O=C(NCc1ccc(-n2cnc3ccccc32)nc1)N1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC001318193672 1066951203 /nfs/dbraw/zinc/95/12/03/1066951203.db2.gz DKCZJOPOLSNBOY-UHFFFAOYSA-N 1 2 494.521 4.467 20 0 JIADLO O=C(C[NH+]1CCC(NC(=O)N2CCC(Nc3ccccc3Cl)CC2)CC1)Nc1ccccc1 ZINC001318196595 1066952607 /nfs/dbraw/zinc/95/26/07/1066952607.db2.gz QNTPOTYPKUKUHO-UHFFFAOYSA-N 1 2 470.017 4.029 20 0 JIADLO O=C(Nc1ccc2nc(C[NH+]3CCCCC3)[nH]c2c1)C1CCN(C(=O)c2ccc(F)cc2F)CC1 ZINC001318213815 1066962540 /nfs/dbraw/zinc/96/25/40/1066962540.db2.gz KIWBRISBWMLEGL-UHFFFAOYSA-N 1 2 481.547 4.318 20 0 JIADLO CC(C)(C)OC(=O)NCC[N@H+](CC(=O)N(Cc1ccc(F)cc1)C1CC1)Cc1ccccc1 ZINC001350841119 1067008486 /nfs/dbraw/zinc/00/84/86/1067008486.db2.gz UDJIHYLNKDZZBZ-UHFFFAOYSA-N 1 2 455.574 4.344 20 0 JIADLO CC(C)(C)OC(=O)NCC[N@@H+](CC(=O)N(Cc1ccc(F)cc1)C1CC1)Cc1ccccc1 ZINC001350841119 1067008498 /nfs/dbraw/zinc/00/84/98/1067008498.db2.gz UDJIHYLNKDZZBZ-UHFFFAOYSA-N 1 2 455.574 4.344 20 0 JIADLO COc1cc[nH+]cc1Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N(C)Cc1cscn1 ZINC001300686815 1067029746 /nfs/dbraw/zinc/02/97/46/1067029746.db2.gz GTJICRDHVAXLAC-HNNXBMFYSA-N 1 2 454.531 4.102 20 0 JIADLO CN(C(=O)OC(C)(C)C)C1(C)CC[NH+](CN2C(=O)N[C@@](C)(c3ccc(C(F)(F)F)cc3)C2=O)CC1 ZINC001318407439 1067039707 /nfs/dbraw/zinc/03/97/07/1067039707.db2.gz ZNXJOWMONNETFI-QHCPKHFHSA-N 1 2 498.546 4.151 20 0 JIADLO COc1cc[nH+]cc1Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCC[C@H](C)C1 ZINC001300692348 1067042102 /nfs/dbraw/zinc/04/21/02/1067042102.db2.gz DVNSLPYXVFFJFZ-SFHVURJKSA-N 1 2 451.571 4.429 20 0 JIADLO COc1cc[nH+]cc1Cn1c(-c2ccc(OC)c(OC)c2)nnc1N(C)[C@H]1CCC[C@H](C)C1 ZINC001300693181 1067042986 /nfs/dbraw/zinc/04/29/86/1067042986.db2.gz QIYHGYVEALDORE-PXNSSMCTSA-N 1 2 451.571 4.429 20 0 JIADLO COc1cc[nH+]cc1Cn1c(-c2ccc(Br)cc2)nnc1N1CCO[C@@H](C(C)C)C1 ZINC001300692958 1067043529 /nfs/dbraw/zinc/04/35/29/1067043529.db2.gz DFUYYCIOPSYGGW-HXUWFJFHSA-N 1 2 472.387 4.021 20 0 JIADLO COc1cccc([C@@H](C)[NH+]2CCN(C(=O)c3nn(-c4ccccc4F)cc3Br)CC2)c1 ZINC001318501599 1067049372 /nfs/dbraw/zinc/04/93/72/1067049372.db2.gz DMZIEIPBRCBIDM-MRXNPFEDSA-N 1 2 487.373 4.302 20 0 JIADLO COc1cc[nH+]cc1Cn1c(COc2cccc(C)c2)nnc1N1CCC[C@@H](OC(C)(C)C)C1 ZINC001300695149 1067051203 /nfs/dbraw/zinc/05/12/03/1067051203.db2.gz MQKAPMZKBVDYNQ-JOCHJYFZSA-N 1 2 465.598 4.401 20 0 JIADLO COc1cc[nH+]cc1Cn1c(C2CCCC2)nnc1N1CCC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001300696835 1067055122 /nfs/dbraw/zinc/05/51/22/1067055122.db2.gz ILEPQUIBCITVSD-GOSISDBHSA-N 1 2 470.618 4.129 20 0 JIADLO COc1cc[nH+]cc1Cn1c(CC(C)C)nnc1N1CCC(CN(C)C(=O)OC(C)(C)C)CC1 ZINC001300696907 1067055153 /nfs/dbraw/zinc/05/51/53/1067055153.db2.gz JOFHYWSBIFHSIG-UHFFFAOYSA-N 1 2 472.634 4.012 20 0 JIADLO COc1cc[nH+]cc1Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCC[C@H]1CSC ZINC001300701588 1067061731 /nfs/dbraw/zinc/06/17/31/1067061731.db2.gz DAQAOJAWQJCDKC-FQEVSTJZSA-N 1 2 453.612 4.258 20 0 JIADLO COc1cc[nH+]cc1Cn1c(N2CCc3ccc(Br)cc3C2)nnc1C(C)(C)C ZINC001300701762 1067062385 /nfs/dbraw/zinc/06/23/85/1067062385.db2.gz GSZMNCFSQVAUJE-UHFFFAOYSA-N 1 2 456.388 4.353 20 0 JIADLO FC(F)(F)c1cc(-c2ccccc2)nnc1N1CC[NH+](Cc2ccc3c(c2)OCCO3)CC1 ZINC001321166888 1067099727 /nfs/dbraw/zinc/09/97/27/1067099727.db2.gz VZQMWQFHTJSFCQ-UHFFFAOYSA-N 1 2 456.468 4.256 20 0 JIADLO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)N2CCC([C@H]3c4ccccc4NC3=O)CC2)C[C@H](C)O1 ZINC001321425473 1067123340 /nfs/dbraw/zinc/12/33/40/1067123340.db2.gz KWJCKHZWKOKSLJ-CEYNDMKZSA-N 1 2 462.594 4.276 20 0 JIADLO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)N2CCC([C@H]3c4ccccc4NC3=O)CC2)C[C@H](C)O1 ZINC001321425473 1067123355 /nfs/dbraw/zinc/12/33/55/1067123355.db2.gz KWJCKHZWKOKSLJ-CEYNDMKZSA-N 1 2 462.594 4.276 20 0 JIADLO CC(C)(C(=O)NCc1ccccc1OCC[NH+]1CCOCC1)c1ccc(Cl)c(Cl)c1 ZINC001322181688 1067260031 /nfs/dbraw/zinc/26/00/31/1067260031.db2.gz TUDWVCUIECGYDP-UHFFFAOYSA-N 1 2 451.394 4.298 20 0 JIADLO COCCOc1cn(-c2ccccc2)nc1C(=O)Nc1ccc2nc(C[NH+]3CCCCC3)[nH]c2c1 ZINC001322510406 1067300081 /nfs/dbraw/zinc/30/00/81/1067300081.db2.gz YVWSRAQGMBPIJN-UHFFFAOYSA-N 1 2 474.565 4.012 20 0 JIADLO COc1cc(Br)c(OC)c(C(=O)N2CCC[N@H+](Cc3ccc(Cl)cc3)CC2)c1 ZINC001323742030 1067326207 /nfs/dbraw/zinc/32/62/07/1067326207.db2.gz PLRDFFNOGZCMBS-UHFFFAOYSA-N 1 2 467.791 4.468 20 0 JIADLO COc1cc(Br)c(OC)c(C(=O)N2CCC[N@@H+](Cc3ccc(Cl)cc3)CC2)c1 ZINC001323742030 1067326231 /nfs/dbraw/zinc/32/62/31/1067326231.db2.gz PLRDFFNOGZCMBS-UHFFFAOYSA-N 1 2 467.791 4.468 20 0 JIADLO CCOc1cc(-c2ccccc2)sc1C(=O)N[C@H](C)C[NH+]1CCN(c2ccccn2)CC1 ZINC001355041010 1067355947 /nfs/dbraw/zinc/35/59/47/1067355947.db2.gz WDKYEESCIPKYQM-LJQANCHMSA-N 1 2 450.608 4.149 20 0 JIADLO CNc1nc(C)cc(C(=O)NC[C@H](c2ccc(SC)cc2)[N@@H+]2CCc3sccc3C2)n1 ZINC001355270332 1067398952 /nfs/dbraw/zinc/39/89/52/1067398952.db2.gz KJUIMVKFGLHPMA-HXUWFJFHSA-N 1 2 453.637 4.140 20 0 JIADLO CNc1nc(C)cc(C(=O)NC[C@H](c2ccc(SC)cc2)[N@H+]2CCc3sccc3C2)n1 ZINC001355270332 1067398966 /nfs/dbraw/zinc/39/89/66/1067398966.db2.gz KJUIMVKFGLHPMA-HXUWFJFHSA-N 1 2 453.637 4.140 20 0 JIADLO O=S(=O)(c1ccc(NCc2ccccc2-c2ccc(Cn3cc[nH+]c3)cc2)nc1)N1CCCC1 ZINC000505641297 1067416857 /nfs/dbraw/zinc/41/68/57/1067416857.db2.gz UULXKXGFBKYTOE-UHFFFAOYSA-N 1 2 473.602 4.390 20 0 JIADLO COc1ccc(-c2nnc(N3CC[C@@H](NC(=O)OC(C)(C)C)C3)n2CCCc2cccc(C)[nH+]2)cc1 ZINC001300044729 1067490224 /nfs/dbraw/zinc/49/02/24/1067490224.db2.gz UTKRVXHEUCZCNC-JOCHJYFZSA-N 1 2 492.624 4.393 20 0 JIADLO COc1ccc(-c2nnc(N3CCC(OCCC(C)C)CC3)n2Cc2ccc(N(C)C)[nH+]c2)cc1 ZINC001300047640 1067501349 /nfs/dbraw/zinc/50/13/49/1067501349.db2.gz UGPZNQJGMLAWHC-UHFFFAOYSA-N 1 2 478.641 4.495 20 0 JIADLO O=C(NCc1cc[nH+]c(N2CCN(c3ccc(F)cc3)CC2)c1)C(F)(F)c1ccccc1F ZINC001355755923 1067574333 /nfs/dbraw/zinc/57/43/33/1067574333.db2.gz WBDHREDMFJTZHC-UHFFFAOYSA-N 1 2 458.459 4.095 20 0 JIADLO COc1ccc(CCc2nnc(N(C)CC3CC(F)(F)C3)n2Cc2ccc(N(C)C)[nH+]c2)cc1 ZINC001300114473 1067722277 /nfs/dbraw/zinc/72/22/77/1067722277.db2.gz OQQBJSCTSLIMJT-UHFFFAOYSA-N 1 2 470.568 4.063 20 0 JIADLO C[C@H]1Cn2nc(C(=O)Nc3ccc(-n4cc[nH+]c4)c(Cl)c3)cc2CN1C(=O)OC(C)(C)C ZINC001356317732 1067722402 /nfs/dbraw/zinc/72/24/02/1067722402.db2.gz VKKNAPFZWDOCDF-AWEZNQCLSA-N 1 2 456.934 4.114 20 0 JIADLO Cc1ccc(NC(=S)N2CCC3(CC2)CN(c2cccc[nH+]2)CCO3)c(Br)c1 ZINC001200144523 1067748527 /nfs/dbraw/zinc/74/85/27/1067748527.db2.gz LDKUZUAYBLEPAW-UHFFFAOYSA-N 1 2 461.429 4.221 20 0 JIADLO COc1ccc(CCc2nnc(N3CC[NH+](Cc4cnc(C)s4)CC3)n2CCC(C)C)cc1 ZINC001300126070 1067752262 /nfs/dbraw/zinc/75/22/62/1067752262.db2.gz AOBLBCMPCPNCFE-UHFFFAOYSA-N 1 2 468.671 4.205 20 0 JIADLO Cc1cccc(C[N@@H+]2CCCC[C@@H]2C(=O)Oc2ccc(S(=O)(=O)N3CCCCC3)cc2)c1 ZINC001356580037 1067782646 /nfs/dbraw/zinc/78/26/46/1067782646.db2.gz ZQSQQKKNLWULEZ-XMMPIXPASA-N 1 2 456.608 4.130 20 0 JIADLO Cc1cccc(C[N@H+]2CCCC[C@@H]2C(=O)Oc2ccc(S(=O)(=O)N3CCCCC3)cc2)c1 ZINC001356580037 1067782659 /nfs/dbraw/zinc/78/26/59/1067782659.db2.gz ZQSQQKKNLWULEZ-XMMPIXPASA-N 1 2 456.608 4.130 20 0 JIADLO COc1ccccc1NC(=O)c1ccc(NC(=O)[C@@H](C)[N@H+](C)Cc2cc(Cl)cn2C)cc1 ZINC001473229791 1067807897 /nfs/dbraw/zinc/80/78/97/1067807897.db2.gz IZAGXUGVJHMULB-MRXNPFEDSA-N 1 2 454.958 4.398 20 0 JIADLO COc1ccccc1NC(=O)c1ccc(NC(=O)[C@@H](C)[N@@H+](C)Cc2cc(Cl)cn2C)cc1 ZINC001473229791 1067807900 /nfs/dbraw/zinc/80/79/00/1067807900.db2.gz IZAGXUGVJHMULB-MRXNPFEDSA-N 1 2 454.958 4.398 20 0 JIADLO CC(C)(C)OC(=O)NC1(CNC(=O)Nc2ccccc2OCCn2cc[nH+]c2)CCCCC1 ZINC001200175385 1067809958 /nfs/dbraw/zinc/80/99/58/1067809958.db2.gz UHKKAVLGBMJVAB-UHFFFAOYSA-N 1 2 457.575 4.311 20 0 JIADLO CC[C@@H](C)[C@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)c1ccn(-c2ccc(F)cc2F)n1 ZINC001357245390 1067823607 /nfs/dbraw/zinc/82/36/07/1067823607.db2.gz CKTDHASHFMXBRQ-MZNJEOGPSA-N 1 2 453.537 4.227 20 0 JIADLO CC[C@@H](C)[C@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)c1ccn(-c2ccc(F)cc2F)n1 ZINC001357245390 1067823608 /nfs/dbraw/zinc/82/36/08/1067823608.db2.gz CKTDHASHFMXBRQ-MZNJEOGPSA-N 1 2 453.537 4.227 20 0 JIADLO C[C@@H]1C[C@@]1(C(=O)OC(C)(C)C)C(=O)N1CC[NH+](CCOC(c2ccccc2)c2ccccc2)CC1 ZINC001357280022 1067829891 /nfs/dbraw/zinc/82/98/91/1067829891.db2.gz WJAOLTHASGGHDI-MNNSJKJDSA-N 1 2 478.633 4.305 20 0 JIADLO Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)C2CCN(C(=O)/C=C\c3ccccc3)CC2)c(C)c1 ZINC001357329076 1067834820 /nfs/dbraw/zinc/83/48/20/1067834820.db2.gz AIWYTKQOOOEPPX-RMZPIOGSSA-N 1 2 456.590 4.309 20 0 JIADLO Cc1ccccc1-c1nnc(N(C)CC(=O)NC(C)(C)C)n1Cc1ccc(N2CCC(C)CC2)[nH+]c1 ZINC001492557439 1067871622 /nfs/dbraw/zinc/87/16/22/1067871622.db2.gz LJKOJTZJIPEWMA-UHFFFAOYSA-N 1 2 489.668 4.284 20 0 JIADLO C[C@H](c1cccc(NC(=O)NCc2cc(F)c(Br)cc2F)c1)[NH+]1CCOCC1 ZINC001200233433 1067877852 /nfs/dbraw/zinc/87/78/52/1067877852.db2.gz QNPFATXVBOQTDB-CYBMUJFWSA-N 1 2 454.315 4.442 20 0 JIADLO Cc1cn2cc(NC(=O)[C@@H]3CCCN(C(=O)c4ccc(Br)cc4C)C3)ccc2[nH+]1 ZINC001357621403 1067878125 /nfs/dbraw/zinc/87/81/25/1067878125.db2.gz SYXTYEYITPBQJN-MRXNPFEDSA-N 1 2 455.356 4.205 20 0 JIADLO COc1ccc(C[NH+]2CCN(c3nnc(-c4cccnc4)n3CC(C)(C)C(F)(F)F)CC2)cc1F ZINC001300230608 1067908805 /nfs/dbraw/zinc/90/88/05/1067908805.db2.gz LAKUMXOUAIXADO-UHFFFAOYSA-N 1 2 492.521 4.399 20 0 JIADLO O=C(NCCSC(F)(F)F)c1cccnc1N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC001357815403 1067909873 /nfs/dbraw/zinc/90/98/73/1067909873.db2.gz PZGVIPKXKNINBI-UHFFFAOYSA-N 1 2 458.937 4.040 20 0 JIADLO COc1ccc(C[NH+]2CCN(c3nnc(CC4CCCC4)n3CC(F)(F)F)CC2)cc1F ZINC001300232190 1067918562 /nfs/dbraw/zinc/91/85/62/1067918562.db2.gz OJIVEAPBPPSAEW-UHFFFAOYSA-N 1 2 455.500 4.043 20 0 JIADLO COc1ccc(F)cc1C[NH+]1CCN(c2nnc(C(C)(C)C)n2CCOCCC(C)C)CC1 ZINC001300245526 1067968812 /nfs/dbraw/zinc/96/88/12/1067968812.db2.gz RODRDEVWLRUEFV-UHFFFAOYSA-N 1 2 461.626 4.108 20 0 JIADLO Cc1ccccc1-c1nnc(N2CC[C@@H](NC(=O)OC(C)(C)C)C2)n1CCCNc1cccc[nH+]1 ZINC001492564870 1068072305 /nfs/dbraw/zinc/07/23/05/1068072305.db2.gz VWBFYFRZXIAWGT-HXUWFJFHSA-N 1 2 477.613 4.254 20 0 JIADLO C[C@H](Oc1ccccc1C(F)(F)F)C(=O)N(Cc1ccccc1)[C@@H](C)C[NH+]1CCOCC1 ZINC001358434994 1068090378 /nfs/dbraw/zinc/09/03/78/1068090378.db2.gz ZGNICZOTTZOECY-OALUTQOASA-N 1 2 450.501 4.222 20 0 JIADLO CC(C)(CNC(=O)Nc1nnc(SCc2c(Cl)cccc2Cl)s1)[NH+]1CCOCC1 ZINC000510179717 1068156220 /nfs/dbraw/zinc/15/62/20/1068156220.db2.gz BOENTTSDCVRJMU-UHFFFAOYSA-N 1 2 476.455 4.370 20 0 JIADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)[C@H](Oc1ccc(Cl)c(Cl)c1)c1ccccc1 ZINC000518245467 1068304475 /nfs/dbraw/zinc/30/44/75/1068304475.db2.gz SLDYTOLHTKHPML-JOCHJYFZSA-N 1 2 475.376 4.281 20 0 JIADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)c1oc2ccccc2c1COc1ccccc1Cl ZINC000521802147 1068336026 /nfs/dbraw/zinc/33/60/26/1068336026.db2.gz OUEFHVGXEFTXRE-UHFFFAOYSA-N 1 2 480.952 4.446 20 0 JIADLO COc1cccc(C=C2CCN(c3nnc(CC(C)(C)C)n3C[C@@H](C)[NH+]3CCOCC3)CC2)c1 ZINC001300407553 1068579365 /nfs/dbraw/zinc/57/93/65/1068579365.db2.gz GNXPKMBUGQTNOT-OAQYLSRUSA-N 1 2 467.658 4.280 20 0 JIADLO CCN(C[C@@H]1C[N@H+](Cc2ccccc2)CCO1)C(=S)Nc1cc(OC)c(Cl)cc1OC ZINC001200540288 1068855639 /nfs/dbraw/zinc/85/56/39/1068855639.db2.gz RSOMITZJPUIOFV-SFHVURJKSA-N 1 2 464.031 4.277 20 0 JIADLO CCN(C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)C(=S)Nc1cc(OC)c(Cl)cc1OC ZINC001200540288 1068855643 /nfs/dbraw/zinc/85/56/43/1068855643.db2.gz RSOMITZJPUIOFV-SFHVURJKSA-N 1 2 464.031 4.277 20 0 JIADLO Cc1ccccc1Cc1nnc(N2CC[NH+](C[C@H]3CN(C(C)C)CCO3)CC2)n1CCCC(C)(C)C ZINC001492587400 1069024095 /nfs/dbraw/zinc/02/40/95/1069024095.db2.gz OMZJDFNWGMQKIM-SANMLTNESA-N 1 2 496.744 4.235 20 0 JIADLO COC(=O)c1ccc(Br)c(C)c1NC(=O)Cn1c(C)[nH+]c2cc(F)c(F)cc21 ZINC001354533797 1069309313 /nfs/dbraw/zinc/30/93/13/1069309313.db2.gz QNIFNKDDWSKADA-UHFFFAOYSA-N 1 2 452.255 4.119 20 0 JIADLO COc1ccccc1NS(=O)(=O)c1cccc(C(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)c1 ZINC000012526456 562960556 /nfs/dbraw/zinc/96/05/56/562960556.db2.gz UZKWEZDKXJDVTK-JOCHJYFZSA-N 1 2 483.590 4.046 20 0 JIADLO CCOC(=O)c1sc2nc(C[NH+]3CCCCC3)nc(N3C[C@@H]4CC(F)(F)[C@H]4C3)c2c1C ZINC001164411242 718870905 /nfs/dbraw/zinc/87/09/05/718870905.db2.gz OMQJQAOJYZXLAN-GJZGRUSLSA-N 1 2 450.555 4.254 20 0 JIADLO FC(F)(c1cnc(Cl)nc1Cl)N1CCO[C@H](c2[nH+]cn3c2cccc3Br)C1 ZINC001164415764 718889455 /nfs/dbraw/zinc/88/94/55/718889455.db2.gz AQRVVYFCCMINGT-NSHDSACASA-N 1 2 479.112 4.316 20 0 JIADLO COc1ccc(C(F)(F)N2CCO[C@@H](c3[nH+]cn4c3cccc4Br)C2)c(Cl)n1 ZINC001164421331 718890033 /nfs/dbraw/zinc/89/00/33/718890033.db2.gz XGYIUKMRVCEZBN-CYBMUJFWSA-N 1 2 473.705 4.277 20 0 JIADLO FC(F)(c1nc(Cl)ncc1Cl)N1CCO[C@H](c2[nH+]cn3c2cccc3Br)C1 ZINC001164420656 718890193 /nfs/dbraw/zinc/89/01/93/718890193.db2.gz VJWCVWSVZNVAAM-NSHDSACASA-N 1 2 479.112 4.316 20 0 JIADLO COc1ccc(C(F)(F)N2CCO[C@H](c3[nH+]cn4c3cccc4Br)C2)nc1Cl ZINC001164421368 718890411 /nfs/dbraw/zinc/89/04/11/718890411.db2.gz XKTQTFAMHPEIFE-ZDUSSCGKSA-N 1 2 473.705 4.277 20 0 JIADLO FC(F)(c1ccc2ncnc(Cl)c2n1)N1CCO[C@@H](c2[nH+]cn3c2cccc3Br)C1 ZINC001164422090 718890529 /nfs/dbraw/zinc/89/05/29/718890529.db2.gz ZSROFTYMMQMQRJ-CYBMUJFWSA-N 1 2 495.715 4.211 20 0 JIADLO C[C@@H]1C[N@H+](C)[C@@H](C)CN1C(F)(F)c1cccc(S(=O)(=O)Nc2nc3ccccc3nc2Cl)c1 ZINC001164633358 719237676 /nfs/dbraw/zinc/23/76/76/719237676.db2.gz LEQVMHRDLBPTHE-LSDHHAIUSA-N 1 2 495.983 4.158 20 0 JIADLO C[C@@H]1C[N@@H+](C)[C@@H](C)CN1C(F)(F)c1cccc(S(=O)(=O)Nc2nc3ccccc3nc2Cl)c1 ZINC001164633358 719237678 /nfs/dbraw/zinc/23/76/78/719237678.db2.gz LEQVMHRDLBPTHE-LSDHHAIUSA-N 1 2 495.983 4.158 20 0 JIADLO C[C@@H]1CN(C(F)(F)c2ccccc2S(=O)(=O)Nc2nc3ccccc3nc2Cl)[C@@H](C)C[N@@H+]1C ZINC001164635335 719238836 /nfs/dbraw/zinc/23/88/36/719238836.db2.gz PRGBXKMVAOLKMD-CABCVRRESA-N 1 2 495.983 4.158 20 0 JIADLO C[C@@H]1CN(C(F)(F)c2ccccc2S(=O)(=O)Nc2nc3ccccc3nc2Cl)[C@@H](C)C[N@H+]1C ZINC001164635335 719238840 /nfs/dbraw/zinc/23/88/40/719238840.db2.gz PRGBXKMVAOLKMD-CABCVRRESA-N 1 2 495.983 4.158 20 0 JIADLO c1sc([C@@H]2C[C@H]3CN(c4ncnc5c4C[N@H+](Cc4ccccc4)CC5)C[C@H]3O2)nc1C1CC1 ZINC001164647258 719287867 /nfs/dbraw/zinc/28/78/67/719287867.db2.gz RHFWCYRWKVTIEO-WDJPJFJCSA-N 1 2 459.619 4.335 20 0 JIADLO c1sc([C@@H]2C[C@H]3CN(c4ncnc5c4C[N@@H+](Cc4ccccc4)CC5)C[C@H]3O2)nc1C1CC1 ZINC001164647258 719287870 /nfs/dbraw/zinc/28/78/70/719287870.db2.gz RHFWCYRWKVTIEO-WDJPJFJCSA-N 1 2 459.619 4.335 20 0 JIADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ncccc1C(=O)N1CCCCC1)CC2 ZINC001164664572 719345937 /nfs/dbraw/zinc/34/59/37/719345937.db2.gz ZBWRCRURPSSFHD-UHFFFAOYSA-N 1 2 484.648 4.402 20 0 JIADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ncccc1C(=O)N1CCCCC1)CC2 ZINC001164664572 719345943 /nfs/dbraw/zinc/34/59/43/719345943.db2.gz ZBWRCRURPSSFHD-UHFFFAOYSA-N 1 2 484.648 4.402 20 0 JIADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ncnc3ccc(C(=O)OC)cc31)CC2 ZINC001164664534 719346779 /nfs/dbraw/zinc/34/67/79/719346779.db2.gz XEIXIDNQALPYHX-UHFFFAOYSA-N 1 2 482.588 4.111 20 0 JIADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ncnc3ccc(C(=O)OC)cc31)CC2 ZINC001164664534 719346781 /nfs/dbraw/zinc/34/67/81/719346781.db2.gz XEIXIDNQALPYHX-UHFFFAOYSA-N 1 2 482.588 4.111 20 0 JIADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ncc3cccc(OC)c3n1)CC2 ZINC001164658585 719351159 /nfs/dbraw/zinc/35/11/59/719351159.db2.gz JTMJPFLDZZLOSP-UHFFFAOYSA-N 1 2 454.578 4.333 20 0 JIADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ncc3cccc(OC)c3n1)CC2 ZINC001164658585 719351163 /nfs/dbraw/zinc/35/11/63/719351163.db2.gz JTMJPFLDZZLOSP-UHFFFAOYSA-N 1 2 454.578 4.333 20 0 JIADLO CCN1CCn2c(-c3ccccc3)cnc2C12CCN(c1[nH+]cc(C)cc1/C=C/C(=O)OC)CC2 ZINC001164659724 719352427 /nfs/dbraw/zinc/35/24/27/719352427.db2.gz RVBWQIVOYQWLGU-ZHACJKMWSA-N 1 2 471.605 4.271 20 0 JIADLO COc1cccc(-c2cc(C(F)(F)N3CCc4onc(Cn5cc[nH+]c5)c4C3)c(Cl)nn2)c1 ZINC001164676304 719568005 /nfs/dbraw/zinc/56/80/05/719568005.db2.gz ABAISDIWZKPIEM-UHFFFAOYSA-N 1 2 472.883 4.146 20 0 JIADLO NC(=O)c1ccc(-c2c[nH+]c3n2CCC32CCN(C(F)(F)c3ccc(Cl)nc3)CC2)cc1 ZINC001164697634 719830090 /nfs/dbraw/zinc/83/00/90/719830090.db2.gz PVEKRXOECYJVOC-UHFFFAOYSA-N 1 2 457.912 4.184 20 0 JIADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ccc(-c2ccc(-c3ccccc3)cc2)nn1 ZINC001164699839 719872969 /nfs/dbraw/zinc/87/29/69/719872969.db2.gz BXRHJQBIDGXGNO-CUBQBAPOSA-N 1 2 472.589 4.043 20 0 JIADLO CC(=O)NC[C@@H]1c2[nH+]cn(C(C)C)c2CCN1C(F)(F)c1ccc2nc(Cl)nc(Cl)c2c1 ZINC001164722374 720312890 /nfs/dbraw/zinc/31/28/90/720312890.db2.gz KRVCRPWHPSJFAW-QGZVFWFLSA-N 1 2 483.350 4.499 20 0 JIADLO CC(=O)NC[C@@H]1c2[nH+]cn(C(C)C)c2CCN1C(F)(F)c1cccc(-c2ccc(Cl)nn2)c1 ZINC001164725505 720316539 /nfs/dbraw/zinc/31/65/39/720316539.db2.gz WIUCFYHNUUBVFJ-HXUWFJFHSA-N 1 2 474.943 4.359 20 0 JIADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4ccc(-c5cccc6ccccc65)nn4)CC3)C2=O)cs1 ZINC001164824992 720380534 /nfs/dbraw/zinc/38/05/34/720380534.db2.gz SWHTWFVXIMOQIK-UHFFFAOYSA-N 1 2 498.656 4.375 20 0 JIADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4ccc(-c5cccc6ccccc65)nn4)CC3)C2=O)cs1 ZINC001164824992 720380537 /nfs/dbraw/zinc/38/05/37/720380537.db2.gz SWHTWFVXIMOQIK-UHFFFAOYSA-N 1 2 498.656 4.375 20 0 JIADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4c(Cl)ccc5c(Cl)ncnc54)CC3)C2=O)cs1 ZINC001164821816 720385653 /nfs/dbraw/zinc/38/56/53/720385653.db2.gz IUSYEHGPLUXSSS-UHFFFAOYSA-N 1 2 491.448 4.015 20 0 JIADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4c(Cl)ccc5c(Cl)ncnc54)CC3)C2=O)cs1 ZINC001164821816 720385661 /nfs/dbraw/zinc/38/56/61/720385661.db2.gz IUSYEHGPLUXSSS-UHFFFAOYSA-N 1 2 491.448 4.015 20 0 JIADLO FC(F)(c1cc(-c2ccco2)nnc1Cl)N1CCC2(CC1)CN(c1cccc[nH+]1)CCO2 ZINC001164874251 721219850 /nfs/dbraw/zinc/21/98/50/721219850.db2.gz TYBKRTLRKRVUOP-UHFFFAOYSA-N 1 2 461.900 4.206 20 0 JIADLO COc1ccc2nc(C(F)(F)N3Cc4c[nH+]cn4C[C@H](COc4cccnc4)C3)nc(Cl)c2c1 ZINC001164769094 721275819 /nfs/dbraw/zinc/27/58/19/721275819.db2.gz OOMKCHAHHPICPJ-HNNXBMFYSA-N 1 2 486.910 4.144 20 0 JIADLO c1ccc(C[N@@H+]2CCc3ncnc(N4CCO[C@@]5(CCC[C@H]5COCc5ccncc5)C4)c3C2)cc1 ZINC001164781274 721383414 /nfs/dbraw/zinc/38/34/14/721383414.db2.gz ITOFMUPZZXPTNU-SVEHJYQDSA-N 1 2 485.632 4.022 20 0 JIADLO c1ccc(C[N@H+]2CCc3ncnc(N4CCO[C@@]5(CCC[C@H]5COCc5ccncc5)C4)c3C2)cc1 ZINC001164781274 721383415 /nfs/dbraw/zinc/38/34/15/721383415.db2.gz ITOFMUPZZXPTNU-SVEHJYQDSA-N 1 2 485.632 4.022 20 0 JIADLO FC(F)(c1cc(-c2cccs2)nnc1Cl)N1C[C@H]2C[NH+](Cc3nccs3)C[C@@H]2C1 ZINC001164784628 721427891 /nfs/dbraw/zinc/42/78/91/721427891.db2.gz LKFSJNOSYFJPQS-CHWSQXEVSA-N 1 2 453.971 4.428 20 0 JIADLO CCc1cccc(Oc2nc(Cl)ncc2N2CCC3(CC2)c2[nH+]cc(C)n2CCN3C)c1 ZINC001164918558 721821628 /nfs/dbraw/zinc/82/16/28/721821628.db2.gz FVLDTGHZRDCQBF-UHFFFAOYSA-N 1 2 452.990 4.431 20 0 JIADLO O=C1NCC[N@@H+](Cc2ccccc2)C12CCN(c1nc(Cl)cc(C3CCCCC3)n1)CC2 ZINC001164946451 721981473 /nfs/dbraw/zinc/98/14/73/721981473.db2.gz GADJCLQCJPFTMT-UHFFFAOYSA-N 1 2 454.018 4.149 20 0 JIADLO O=C1NCC[N@H+](Cc2ccccc2)C12CCN(c1nc(Cl)cc(C3CCCCC3)n1)CC2 ZINC001164946451 721981476 /nfs/dbraw/zinc/98/14/76/721981476.db2.gz GADJCLQCJPFTMT-UHFFFAOYSA-N 1 2 454.018 4.149 20 0 JIADLO Cc1cccc(COC[C@@]23CCCO[C@@H]2CCN(c2ncnc4c2C[N@H+](Cc2ccccc2)CC4)C3)n1 ZINC001164958011 722025964 /nfs/dbraw/zinc/02/59/64/722025964.db2.gz DKQNHROJCQAZJV-DGPALRBDSA-N 1 2 499.659 4.331 20 0 JIADLO Cc1cccc(COC[C@@]23CCCO[C@@H]2CCN(c2ncnc4c2C[N@@H+](Cc2ccccc2)CC4)C3)n1 ZINC001164958011 722025968 /nfs/dbraw/zinc/02/59/68/722025968.db2.gz DKQNHROJCQAZJV-DGPALRBDSA-N 1 2 499.659 4.331 20 0 JIADLO COc1ccccc1OCc1nnc(N2C[C@@H](OC)C(C)(C)C2)n1CCCc1cccc(C)[nH+]1 ZINC001300643333 1069312633 /nfs/dbraw/zinc/31/26/33/1069312633.db2.gz YOFMZLLHGRNKTG-HSZRJFAPSA-N 1 2 465.598 4.063 20 0 JIADLO COc1ccccc1SCc1nnc(N2CCC[C@@H]2CSC)n1CC(C)(C)[NH+]1CCOCC1 ZINC001300679008 1069438115 /nfs/dbraw/zinc/43/81/15/1069438115.db2.gz HVLLFCKEBKWMMP-LJQANCHMSA-N 1 2 491.727 4.022 20 0 JIADLO COc1ccccc1SCc1nnc(N2CCC[C@@](C)(OC)CC2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001300679051 1069438329 /nfs/dbraw/zinc/43/83/29/1069438329.db2.gz JEMUXIFXPGTLLK-AREMUKBSSA-N 1 2 496.681 4.484 20 0 JIADLO CC(=O)N[C@H]1CCCN(c2nnc(-c3cccc(Br)c3)n2CCCc2cccc(C)[nH+]2)C1 ZINC001359417428 1069543262 /nfs/dbraw/zinc/54/32/62/1069543262.db2.gz XIUITKTXZFWUDU-QFIPXVFZSA-N 1 2 497.441 4.149 20 0 JIADLO CC(=O)NCCN(Cc1ccc(C)s1)c1nnc(CC(C)(C)C)n1C[C@@H]1CCCn2cc(C)[nH+]c21 ZINC001359464200 1069590365 /nfs/dbraw/zinc/59/03/65/1069590365.db2.gz MOXZTUVUKYIXLG-NRFANRHFSA-N 1 2 497.713 4.462 20 0 JIADLO CC(C)(C)c1nnc(N2CCC([C@](C)(O)C(F)(F)F)CC2)n1Cc1cccc(Cn2cc[nH+]c2)c1 ZINC001359503257 1069770091 /nfs/dbraw/zinc/77/00/91/1069770091.db2.gz MCBQOQDSEYLQHG-DEOSSOPVSA-N 1 2 490.574 4.398 20 0 JIADLO CC(C)(C)c1nnc(N2CCC(C(=O)Nc3ccc(Cl)cn3)CC2)n1CCCNc1cccc[nH+]1 ZINC001359503250 1069770207 /nfs/dbraw/zinc/77/02/07/1069770207.db2.gz LVIOMLPVKFRDJT-UHFFFAOYSA-N 1 2 497.047 4.376 20 0 JIADLO CC(C)(C)Cc1nnc(N2CC[NH+](Cc3cccc(Cl)c3)CC2)n1CCNC(=O)OC(C)(C)C ZINC001359540512 1069837822 /nfs/dbraw/zinc/83/78/22/1069837822.db2.gz YBGLQFYXQWPAHO-UHFFFAOYSA-N 1 2 491.080 4.367 20 0 JIADLO CC(C)(Cn1c(-c2ccc(Cl)cc2)nnc1N1CCC(C(=O)C(F)(F)F)CC1)[NH+]1CCOCC1 ZINC001359594129 1070039935 /nfs/dbraw/zinc/03/99/35/1070039935.db2.gz OUNDBBLSSOXQAU-UHFFFAOYSA-N 1 2 499.965 4.057 20 0 JIADLO CC(C)[C@@H](Cn1c(CC(C)(C)C)nnc1N1CCN([C@H](C)c2ccsc2)CC1)[NH+]1CCOCC1 ZINC001359664088 1070289670 /nfs/dbraw/zinc/28/96/70/1070289670.db2.gz ZIRVMRDFVHSWKJ-FYYLOGMGSA-N 1 2 488.746 4.168 20 0 JIADLO CC(C)c1nnc(N2CC[C@H](NC(=O)OC(C)(C)C)C2)n1Cc1ccc(N2CCCCCC2)[nH+]c1 ZINC001359699483 1070361682 /nfs/dbraw/zinc/36/16/82/1070361682.db2.gz HIGFUPDUFJJTEP-NRFANRHFSA-N 1 2 483.661 4.329 20 0 JIADLO COc1ccc(C[NH+]2CCN(c3nnc(-c4cccc(C)n4)n3C[C@H](OC)C(C)(C)C)CC2)cc1F ZINC001315504848 1064416625 /nfs/dbraw/zinc/41/66/25/1064416625.db2.gz KSLBDRCAPVATBK-DEOSSOPVSA-N 1 2 496.631 4.180 20 0 JIADLO COc1ccc(Cn2c(N3CCc4c(cc[nH+]c4N(C)C)C3)nnc2C(C)(C)C)cc1OC(F)F ZINC001315508044 1064430916 /nfs/dbraw/zinc/43/09/16/1064430916.db2.gz PVBNCLSDBMIUJQ-UHFFFAOYSA-N 1 2 486.567 4.258 20 0 JIADLO COc1ccc(F)cc1C[NH+]1CCN(c2nnc(-c3ccccn3)n2CCSCC(C)C)CC1 ZINC001315515256 1064461541 /nfs/dbraw/zinc/46/15/41/1064461541.db2.gz IMLXWGNXPFCNCK-UHFFFAOYSA-N 1 2 484.645 4.199 20 0 JIADLO COc1ccc(F)cc1C[NH+]1CCN(c2nnc(-c3ccc(C)o3)n2CCCOC(F)(F)F)CC1 ZINC001315515736 1064463471 /nfs/dbraw/zinc/46/34/71/1064463471.db2.gz SDOHZYKPUWRUQE-UHFFFAOYSA-N 1 2 497.493 4.243 20 0 JIADLO COc1cccc(-c2nnc(N(C)C[C@H](C)c3nccs3)n2Cc2c[nH+]ccc2OC)c1 ZINC001315550406 1064566772 /nfs/dbraw/zinc/56/67/72/1064566772.db2.gz WLYFWPCICHOHSG-INIZCTEOSA-N 1 2 450.568 4.102 20 0 JIADLO COc1ccccc1-c1nnc(N2CCc3c(cc[nH+]c3N(C)C)C2)n1CCSC(F)(F)F ZINC001315601458 1064710585 /nfs/dbraw/zinc/71/05/85/1064710585.db2.gz MHDBBRCNAJJDOB-UHFFFAOYSA-N 1 2 478.544 4.230 20 0 JIADLO COc1ccccc1SCc1nnc(N2C[C@@H](C)CC(C)(C)C2)n1C[C@H](C)[NH+]1CCOCC1 ZINC001315663445 1064870398 /nfs/dbraw/zinc/87/03/98/1064870398.db2.gz ZFNPROBSCBCFAT-PMACEKPBSA-N 1 2 473.687 4.172 20 0 JIADLO COc1ccccc1SCc1nnc(N2CC[C@H](C)C(C)(C)C2)n1CC[N@@H+]1CCOC[C@H]1C ZINC001315665952 1064880626 /nfs/dbraw/zinc/88/06/26/1064880626.db2.gz USEQQLRCPFOGBC-VQTJNVASSA-N 1 2 473.687 4.172 20 0 JIADLO COc1ccccc1SCc1nnc(N2CC[C@H](C)C(C)(C)C2)n1CC[N@H+]1CCOC[C@H]1C ZINC001315665952 1064880628 /nfs/dbraw/zinc/88/06/28/1064880628.db2.gz USEQQLRCPFOGBC-VQTJNVASSA-N 1 2 473.687 4.172 20 0 JIADLO COc1cc[nH+]cc1Cn1c(-c2ccc(Cl)cc2OC)nnc1N(C)Cc1c(C)nn(C)c1C ZINC001315668583 1064892742 /nfs/dbraw/zinc/89/27/42/1064892742.db2.gz ADAFNSPTMOOLPJ-UHFFFAOYSA-N 1 2 481.988 4.046 20 0 JIADLO COc1cc[nH+]cc1Cn1c(Cc2c(F)cccc2F)nnc1N(C)Cc1scnc1C ZINC001315671680 1064901572 /nfs/dbraw/zinc/90/15/72/1064901572.db2.gz JVSZAJSXOSBVKN-UHFFFAOYSA-N 1 2 456.522 4.000 20 0 JIADLO COc1cc[nH+]cc1Cn1c(CC(C)(C)C)nnc1N1CCC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1 ZINC001315672244 1064902138 /nfs/dbraw/zinc/90/21/38/1064902138.db2.gz QTMKVXWXXXPVSQ-RBUKOAKNSA-N 1 2 486.661 4.448 20 0 JIADLO COc1cc[nH+]cc1Cn1c(CSc2ccc(C)cc2)nnc1N(C)C[C@H]1CCCCO1 ZINC001315672950 1064904199 /nfs/dbraw/zinc/90/41/99/1064904199.db2.gz RRCVYHUAHVYIGU-HXUWFJFHSA-N 1 2 453.612 4.336 20 0 JIADLO COc1cc[nH+]cc1Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(C)Cc1ccc(C)o1 ZINC001315673172 1064905169 /nfs/dbraw/zinc/90/51/69/1064905169.db2.gz YTOJLWDCNPUBGL-UHFFFAOYSA-N 1 2 496.612 4.382 20 0 JIADLO COc1cc[nH+]cc1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC=C(C(F)(F)F)CC1 ZINC001315675304 1064910028 /nfs/dbraw/zinc/91/00/28/1064910028.db2.gz ZFFSLSUGAYOBKG-IEBWSBKVSA-N 1 2 465.520 4.347 20 0 JIADLO CO[C@@H]1CN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCCc2cccc(C)[nH+]2)CC[C@H]1C ZINC001315710655 1064987379 /nfs/dbraw/zinc/98/73/79/1064987379.db2.gz UNFQNVLHFPDWMF-NTKDMRAZSA-N 1 2 476.625 4.345 20 0 JIADLO COCC1(C)CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCCNc2cccc[nH+]2)CC1 ZINC001315830522 1065193510 /nfs/dbraw/zinc/19/35/10/1065193510.db2.gz WYSDZRLEZYIWBO-UHFFFAOYSA-N 1 2 488.434 4.186 20 0 JIADLO COCC1(C)CCN(c2nnc([C@@H]3CCCOC3)n2C[C@H](c2c(F)cccc2F)[NH+](C)C)CC1 ZINC001315831821 1065196627 /nfs/dbraw/zinc/19/66/27/1065196627.db2.gz SGGDYWPNVKTUBF-WIYYLYMNSA-N 1 2 477.600 4.006 20 0 JIADLO COCc1cc(Cn2c(CC(C)(C)C)nnc2N2CC[NH+](Cc3cnc(C)s3)CC2)ccc1F ZINC001315853929 1065255549 /nfs/dbraw/zinc/25/55/49/1065255549.db2.gz PVCJWMWPVHUDML-UHFFFAOYSA-N 1 2 486.661 4.288 20 0 JIADLO COC[C@@H]1CCCCN(c2nnc(COc3cc(C)cc(C)c3)n2Cc2ccc(N(C)C)[nH+]c2)C1 ZINC001315888460 1065342244 /nfs/dbraw/zinc/34/22/44/1065342244.db2.gz YTIOTSSROMMNCB-HSZRJFAPSA-N 1 2 478.641 4.236 20 0 JIADLO COCCN(C)c1nnc(-c2ccc(C)c(Br)c2)n1Cc1ccc(N2CCCC2)[nH+]c1 ZINC001316057514 1065694465 /nfs/dbraw/zinc/69/44/65/1065694465.db2.gz CHVSKVJIAQKESY-UHFFFAOYSA-N 1 2 485.430 4.142 20 0 JIADLO COCCN(c1nnc(-c2ccc(OC)cc2)n1Cc1ccc(N(C)C)[nH+]c1)[C@@H]1CC[C@H](C)C1 ZINC001316075636 1065714842 /nfs/dbraw/zinc/71/48/42/1065714842.db2.gz CYPYFFFDINRGGO-SIKLNZKXSA-N 1 2 464.614 4.104 20 0 JIADLO COCCN(c1nnc(-c2cccc(OC)c2)n1Cc1ccc(N(C)C)[nH+]c1)[C@H]1CC[C@H](C)C1 ZINC001316080025 1065725089 /nfs/dbraw/zinc/72/50/89/1065725089.db2.gz NKEHRVOUOHQJKN-UGKGYDQZSA-N 1 2 464.614 4.104 20 0 JIADLO COCCN(c1nnc(C(C)(C)C)n1C[C@@H]1C[N@H+](Cc2ccccc2)CCO1)[C@@H]1CC[C@@H](C)C1 ZINC001316081372 1065727545 /nfs/dbraw/zinc/72/75/45/1065727545.db2.gz NBBILHNSNVUJRP-JRFVFWCSSA-N 1 2 469.674 4.118 20 0 JIADLO COCCN(c1nnc(C(C)(C)C)n1C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)[C@@H]1CC[C@@H](C)C1 ZINC001316081372 1065727559 /nfs/dbraw/zinc/72/75/59/1065727559.db2.gz NBBILHNSNVUJRP-JRFVFWCSSA-N 1 2 469.674 4.118 20 0 JIADLO COCCO[C@H](C)c1nnc(N2C[C@@H](C)CC[C@@H]2C)n1Cc1cc[nH+]c(N2CCCCC2)c1 ZINC001316158442 1065823902 /nfs/dbraw/zinc/82/39/02/1065823902.db2.gz CVKUGLUYRHYAJN-PCCBWWKXSA-N 1 2 456.635 4.061 20 0 JIADLO COCCO[C@H](C)c1nnc(N2CC=C(C(C)(C)C)CC2)n1C[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC001316163050 1065830325 /nfs/dbraw/zinc/83/03/25/1065830325.db2.gz BFKQCPAESKKKRN-RCZVLFRGSA-N 1 2 497.684 4.258 20 0 JIADLO CSC(C)(C)Cn1c(Cc2ccsc2)nnc1N1CC[NH+](Cc2cnc(C)s2)CC1 ZINC001316373510 1066128100 /nfs/dbraw/zinc/12/81/00/1066128100.db2.gz ZUAFPWLSVJVBOV-UHFFFAOYSA-N 1 2 462.714 4.159 20 0 JIADLO CCOCCCn1c2nn(C[N@@H+]3CC[C@@H]4CCCC[C@H]4C3)c(=S)n2c2ccccc2c1=O ZINC001324990952 1066234946 /nfs/dbraw/zinc/23/49/46/1066234946.db2.gz VOUSHYRLLDMGJN-OALUTQOASA-N 1 2 455.628 4.076 20 0 JIADLO CCOCCCn1c2nn(C[N@H+]3CC[C@@H]4CCCC[C@H]4C3)c(=S)n2c2ccccc2c1=O ZINC001324990952 1066234961 /nfs/dbraw/zinc/23/49/61/1066234961.db2.gz VOUSHYRLLDMGJN-OALUTQOASA-N 1 2 455.628 4.076 20 0 JIADLO CSc1ccccc1CN(C)c1nnc(Cc2ccsc2)n1C[C@@H](C)[NH+]1CCOCC1 ZINC001316423722 1066235729 /nfs/dbraw/zinc/23/57/29/1066235729.db2.gz HDGZSWUWOTVUFU-GOSISDBHSA-N 1 2 457.669 4.009 20 0 JIADLO O=C(Nc1ccc2nc(C[NH+]3CCCCC3)[nH]c2c1)C(=Cc1ccco1)n1nnnc1-c1ccccc1 ZINC001325988986 1066277498 /nfs/dbraw/zinc/27/74/98/1066277498.db2.gz AVTMABRLFMPSAS-JJIBRWJFSA-N 1 2 494.559 4.432 20 0 JIADLO CCS(=O)(=O)Nc1cccc(C(=O)NCc2ccccc2-c2ccc(Cn3cc[nH+]c3)cc2)c1 ZINC001326381330 1066294015 /nfs/dbraw/zinc/29/40/15/1066294015.db2.gz ANRUGSYFCZGZII-UHFFFAOYSA-N 1 2 474.586 4.290 20 0 JIADLO CSCC[C@H](C)N(C)c1nnc(CC2CCCC2)n1Cc1ccc(N2CCO[C@@H](C)C2)[nH+]c1 ZINC001316448199 1066323138 /nfs/dbraw/zinc/32/31/38/1066323138.db2.gz APYJUFAKIRJRDO-PMACEKPBSA-N 1 2 472.703 4.257 20 0 JIADLO CSCCCN(C)c1nnc(-c2ccc(Cl)nc2)n1Cc1ccc(N2CCCC2)[nH+]c1 ZINC001316464787 1066363764 /nfs/dbraw/zinc/36/37/64/1066363764.db2.gz CDQALMSQCZDDCN-UHFFFAOYSA-N 1 2 458.035 4.226 20 0 JIADLO CSCCCCn1c(COc2ccc(C)cc2)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC001316467469 1066372092 /nfs/dbraw/zinc/37/20/92/1066372092.db2.gz WSYFPGJYKBGWQE-UHFFFAOYSA-N 1 2 452.628 4.030 20 0 JIADLO FC(F)(F)c1ccccc1-n1ccc(-c2nc(-c3cccc(C[NH+]4CCOCC4)c3)no2)n1 ZINC001333204157 1066386129 /nfs/dbraw/zinc/38/61/29/1066386129.db2.gz OQCVZJLEPBVBKR-UHFFFAOYSA-N 1 2 455.440 4.440 20 0 JIADLO CC[NH+](CC)Cc1csc(NC(=O)/C(=C\c2cccs2)n2nnnc2-c2ccccc2)n1 ZINC001333301381 1066387491 /nfs/dbraw/zinc/38/74/91/1066387491.db2.gz FBVHPNXDYMOMPN-CPNJWEJPSA-N 1 2 465.608 4.337 20 0 JIADLO Cc1cccc(CCCn2c([C@H]3CCCOC3)nnc2N2CCC[C@H](CNC(=O)OC(C)(C)C)C2)[nH+]1 ZINC001492525836 1066412591 /nfs/dbraw/zinc/41/25/91/1066412591.db2.gz IPZSLCOZSNPSCL-YADHBBJMSA-N 1 2 498.672 4.249 20 0 JIADLO Cc1cccc(CCCn2c(CC3CCCC3)nnc2N2CCN(C(=O)OC(C)(C)C)CC2)[nH+]1 ZINC001492526500 1066414622 /nfs/dbraw/zinc/41/46/22/1066414622.db2.gz AYRLWPLWTSGJAU-UHFFFAOYSA-N 1 2 468.646 4.404 20 0 JIADLO Cc1cccc(CCCn2c(C3CCN(C(=O)OC(C)(C)C)CC3)nnc2N(C)C2CC2)[nH+]1 ZINC001492526413 1066414789 /nfs/dbraw/zinc/41/47/89/1066414789.db2.gz XRCKRWYUMRGXDD-UHFFFAOYSA-N 1 2 454.619 4.327 20 0 JIADLO Cc1cccc(CCCn2c(CC3CCCC3)nnc2N2CCN(CC(C)C)C(=O)[C@@H]2C)[nH+]1 ZINC001492527373 1066420838 /nfs/dbraw/zinc/42/08/38/1066420838.db2.gz ZUWRCLTUWHFLII-NRFANRHFSA-N 1 2 452.647 4.040 20 0 JIADLO Cc1cccc(CCCn2c(COc3ccc(F)cc3)nnc2N2CCC[C@H](NC(=O)C(C)C)C2)[nH+]1 ZINC001492527404 1066421419 /nfs/dbraw/zinc/42/14/19/1066421419.db2.gz GPEOJJPYVYNIDO-QHCPKHFHSA-N 1 2 494.615 4.073 20 0 JIADLO FC(F)(F)Cn1c(=S)n(C[N@@H+]2CCCN3c4ccccc4C[C@@H]3C2)nc1-c1ccncc1 ZINC001335874903 1066426194 /nfs/dbraw/zinc/42/61/94/1066426194.db2.gz PNAFILYYSGUGIR-GOSISDBHSA-N 1 2 460.529 4.133 20 0 JIADLO FC(F)(F)Cn1c(=S)n(C[N@H+]2CCCN3c4ccccc4C[C@@H]3C2)nc1-c1ccncc1 ZINC001335874903 1066426210 /nfs/dbraw/zinc/42/62/10/1066426210.db2.gz PNAFILYYSGUGIR-GOSISDBHSA-N 1 2 460.529 4.133 20 0 JIADLO C[C@H]1CN(c2nnc(C(C)(C)C)n2Cc2cc[nH+]c(N3CCCCC3)c2)CCN1C(=O)OC(C)(C)C ZINC001316494967 1066439667 /nfs/dbraw/zinc/43/96/67/1066439667.db2.gz AZGHBNDYPUITRM-FQEVSTJZSA-N 1 2 497.688 4.455 20 0 JIADLO C[C@@H]1CN(c2nnc(-c3cc(Br)c[nH]3)n2Cc2ccc(N(C)C)[nH+]c2)C[C@H](C)C1(F)F ZINC001316497862 1066451852 /nfs/dbraw/zinc/45/18/52/1066451852.db2.gz VCHAWEMMMJWLHH-OKILXGFUSA-N 1 2 494.388 4.273 20 0 JIADLO COc1cc(Cl)c(C)cc1N1C(=O)C[C@@H]([NH+]2CCC(c3nc4ccccc4o3)CC2)C1=O ZINC001337056611 1066456579 /nfs/dbraw/zinc/45/65/79/1066456579.db2.gz JRGUCAJLANPMNO-LJQANCHMSA-N 1 2 453.926 4.310 20 0 JIADLO COc1cc2cc(C(=O)Nc3ccc4nc(C[NH+]5CCCCC5)[nH]c4c3)[nH]c2c(OC)c1OC ZINC001338430453 1066554812 /nfs/dbraw/zinc/55/48/12/1066554812.db2.gz QTPFGYIJXZALGC-UHFFFAOYSA-N 1 2 463.538 4.308 20 0 JIADLO C[C@@H]1Oc2ccccc2N(CC(=O)O[C@H](Cn2cc[nH+]c2)c2ccc(Cl)cc2Cl)C1=O ZINC001343432559 1066615848 /nfs/dbraw/zinc/61/58/48/1066615848.db2.gz QFNVCDANYREUBX-VBKZILBWSA-N 1 2 460.317 4.289 20 0 JIADLO Cc1cccc([C@H](Cn2c(C(C)C)nnc2N2CCC[C@@H](OCC(F)(F)F)C2)[NH+]2CCOCC2)c1 ZINC001492479973 1066625525 /nfs/dbraw/zinc/62/55/25/1066625525.db2.gz IWSMBYQVLINVRE-YADHBBJMSA-N 1 2 495.590 4.331 20 0 JIADLO Cc1ncsc1CN(C)c1nnc(CC(C)C)n1C[C@H](c1cccc(C)c1)[NH+]1CCOCC1 ZINC001492480323 1066626538 /nfs/dbraw/zinc/62/65/38/1066626538.db2.gz KRMOJFYMQHEPKG-JOCHJYFZSA-N 1 2 468.671 4.260 20 0 JIADLO C[N@@H+](Cc1nc(C(F)(F)F)n2c1CCCC2)C[C@@H](O)COc1cc(Cl)cc(Cl)c1 ZINC001474667623 1066639794 /nfs/dbraw/zinc/63/97/94/1066639794.db2.gz KKMOZEYVIWSGSC-CQSZACIVSA-N 1 2 452.304 4.417 20 0 JIADLO C[N@H+](Cc1nc(C(F)(F)F)n2c1CCCC2)C[C@@H](O)COc1cc(Cl)cc(Cl)c1 ZINC001474667623 1066639803 /nfs/dbraw/zinc/63/98/03/1066639803.db2.gz KKMOZEYVIWSGSC-CQSZACIVSA-N 1 2 452.304 4.417 20 0 JIADLO O=C(O[C@H](Cn1cc[nH+]c1)c1ccc(Cl)cc1Cl)c1ccc(S(=O)(=O)NC2CC2)cc1 ZINC001348216782 1066728290 /nfs/dbraw/zinc/72/82/90/1066728290.db2.gz JVFNMTVGBWRKBG-HXUWFJFHSA-N 1 2 480.373 4.229 20 0 JIADLO COC(=O)/C=C\c1ccc(C(=O)N2CC[NH+](Cc3ccc(-c4cccc(F)c4)s3)CC2)o1 ZINC001350235877 1066935496 /nfs/dbraw/zinc/93/54/96/1066935496.db2.gz CLKZOSFWIJWSTA-POHAHGRESA-N 1 2 454.523 4.291 20 0 JIADLO COc1cc(Cl)c(C)cc1N1C(=O)C[C@H]([NH+]2CCC(C)(N(C)C(=O)OC(C)(C)C)CC2)C1=O ZINC001318340304 1067024224 /nfs/dbraw/zinc/02/42/24/1067024224.db2.gz OHSIYUXPRLQCDK-SFHVURJKSA-N 1 2 480.005 4.010 20 0 JIADLO O=C(CC[C@@H]1NC(=O)N(c2ccc(Cl)cc2)C1=O)Nc1ccc2nc(C[NH+]3CCCCC3)[nH]c2c1 ZINC001318347593 1067026821 /nfs/dbraw/zinc/02/68/21/1067026821.db2.gz LENMMUYSLXJOSM-FQEVSTJZSA-N 1 2 494.983 4.046 20 0 JIADLO C[C@@]1(c2ccc(Cl)c(Cl)c2)NC(=O)N(C[NH+]2CCC([C@@H]3c4ccccc4NC3=O)CC2)C1=O ZINC001318350991 1067028326 /nfs/dbraw/zinc/02/83/26/1067028326.db2.gz DWFFYMWLQHHRHU-YKSBVNFPSA-N 1 2 487.387 4.166 20 0 JIADLO COc1cc[nH+]cc1Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N(C)Cc1cc(Cl)ccn1 ZINC001300686884 1067030307 /nfs/dbraw/zinc/03/03/07/1067030307.db2.gz IWZMCFMMRKRYTH-UHFFFAOYSA-N 1 2 491.983 4.284 20 0 JIADLO CS(=O)(=O)c1ccc(NC(=O)[C@@]2(C(F)(F)F)CC[N@H+](Cc3ccccc3)C2)cc1Cl ZINC001318462788 1067045993 /nfs/dbraw/zinc/04/59/93/1067045993.db2.gz JGAOOEVCQVYXRH-LJQANCHMSA-N 1 2 460.905 4.137 20 0 JIADLO CS(=O)(=O)c1ccc(NC(=O)[C@@]2(C(F)(F)F)CC[N@@H+](Cc3ccccc3)C2)cc1Cl ZINC001318462788 1067046011 /nfs/dbraw/zinc/04/60/11/1067046011.db2.gz JGAOOEVCQVYXRH-LJQANCHMSA-N 1 2 460.905 4.137 20 0 JIADLO COc1cc[nH+]cc1Cn1c(-c2ccc(Br)s2)nnc1N1C[C@@H](C)[C@@H](F)C1 ZINC001300694980 1067050176 /nfs/dbraw/zinc/05/01/76/1067050176.db2.gz ZHCORHKTZISGRP-YPMHNXCESA-N 1 2 452.353 4.015 20 0 JIADLO COc1cc[nH+]cc1Cn1c(CNC(=O)c2cccs2)nnc1N(C)[C@H](C)c1ccccc1C ZINC001300695080 1067050830 /nfs/dbraw/zinc/05/08/30/1067050830.db2.gz KICCFBFILMKVOA-GOSISDBHSA-N 1 2 476.606 4.227 20 0 JIADLO CCCNC(=O)c1cccc(CNC(=O)[C@@H](c2cccc(Br)c2)[NH+]2CCCC2)c1 ZINC001354701107 1067051539 /nfs/dbraw/zinc/05/15/39/1067051539.db2.gz BQIINRKUINSMSW-OAQYLSRUSA-N 1 2 458.400 4.042 20 0 JIADLO CC[NH+](CC)[C@@H](C(=O)Nc1ncc(C(O)(C(F)(F)F)C(F)(F)F)s1)c1ccccc1 ZINC001318564031 1067052290 /nfs/dbraw/zinc/05/22/90/1067052290.db2.gz JAVOCQJZUMDXJY-CYBMUJFWSA-N 1 2 455.424 4.477 20 0 JIADLO COc1cc[nH+]cc1Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CC[C@@H](CC(C)C)C1 ZINC001300701870 1067063031 /nfs/dbraw/zinc/06/30/31/1067063031.db2.gz KJGYCUMXFVFOEX-IRFCIJBXSA-N 1 2 484.645 4.373 20 0 JIADLO COc1cc[nH+]cc1Cn1c(N2CCO[C@@H](c3ccc(F)cc3Cl)C2)nnc1C(C)(C)C ZINC001300702097 1067063670 /nfs/dbraw/zinc/06/36/70/1067063670.db2.gz OGOKPZOWBSCUQS-HXUWFJFHSA-N 1 2 459.953 4.398 20 0 JIADLO COc1cc[nH+]cc1Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCS[C@@H](C)[C@H]1C ZINC001300702870 1067066330 /nfs/dbraw/zinc/06/63/30/1067066330.db2.gz XSQDDHHZJANKBI-MOPGFXCFSA-N 1 2 453.612 4.256 20 0 JIADLO O=C(Cc1cccs1)Nc1nc(CC(=O)Nc2ccc3nc(C[NH+]4CCCCC4)[nH]c3c2)cs1 ZINC001321485297 1067142125 /nfs/dbraw/zinc/14/21/25/1067142125.db2.gz GTESPJWIWNWIRT-UHFFFAOYSA-N 1 2 494.646 4.429 20 0 JIADLO CC(C)Cc1ncc(C(=O)NCc2cc[nH+]c(N3CCN(c4ccc(F)cc4)CC3)c2)s1 ZINC001354828171 1067155127 /nfs/dbraw/zinc/15/51/27/1067155127.db2.gz BIWWVIXDYMZYNT-UHFFFAOYSA-N 1 2 453.587 4.132 20 0 JIADLO CN(C(=O)OC(C)(C)C)C1(C)CC[NH+](CN2C(=O)N[C@](C)(c3ccc4ccccc4c3)C2=O)CC1 ZINC001321636747 1067185735 /nfs/dbraw/zinc/18/57/35/1067185735.db2.gz OXRACWMBIBKTRD-HHHXNRCGSA-N 1 2 480.609 4.286 20 0 JIADLO CCc1ccc(N2CCN(C(=O)[C@@H](c3cccc(Br)c3)[NH+]3CCCC3)CC2)cc1 ZINC001354866912 1067221507 /nfs/dbraw/zinc/22/15/07/1067221507.db2.gz YREVHEUIVNXQCD-HSZRJFAPSA-N 1 2 456.428 4.497 20 0 JIADLO Fc1cc(Br)cc(Br)c1NC(=S)NCc1ccc2[nH+]ccn2c1 ZINC001200805852 1067229595 /nfs/dbraw/zinc/22/95/95/1067229595.db2.gz XAJRCQSZJSRFJJ-UHFFFAOYSA-N 1 2 458.154 4.485 20 0 JIADLO CC(C)(C)C1CCC2(CC(=O)N(C[NH+]3CCC([C@H]4c5ccccc5NC4=O)CC3)C2=O)CC1 ZINC001322588081 1067304132 /nfs/dbraw/zinc/30/41/32/1067304132.db2.gz AUFXJWJUJCMWHY-OZGZLMSGSA-N 1 2 451.611 4.373 20 0 JIADLO C[C@H](C(=O)N1CC[NH+](Cc2ccc(OC(F)(F)F)cc2)CC1)[C@H]1OCCc2sccc21 ZINC001355324392 1067419523 /nfs/dbraw/zinc/41/95/23/1067419523.db2.gz AFIADZOQKBPCFH-MGPUTAFESA-N 1 2 454.514 4.241 20 0 JIADLO C[C@H](C(=O)N1CC[NH+](Cc2ccc(OC(F)(F)F)cc2)CC1)[C@@H]1OCCc2sccc21 ZINC001355324394 1067419871 /nfs/dbraw/zinc/41/98/71/1067419871.db2.gz AFIADZOQKBPCFH-YWZLYKJASA-N 1 2 454.514 4.241 20 0 JIADLO CC(C)(C)c1ncsc1C(=O)NCc1cc[nH+]c(N2CCN(c3ccc(F)cc3)CC2)c1 ZINC001355755154 1067574562 /nfs/dbraw/zinc/57/45/62/1067574562.db2.gz ODLSNMAJOIWASK-UHFFFAOYSA-N 1 2 453.587 4.231 20 0 JIADLO COCCOc1ccc(C(=O)Nc2nc3ccccc3n2CCCn2cc[nH+]c2)c(Cl)c1 ZINC001352777764 1067714068 /nfs/dbraw/zinc/71/40/68/1067714068.db2.gz DQACKMJAQJWYOI-UHFFFAOYSA-N 1 2 453.930 4.254 20 0 JIADLO CC[C@@H](C)[C@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)c1cnc(OCc2ccccc2)cn1 ZINC001357246863 1067823865 /nfs/dbraw/zinc/82/38/65/1067823865.db2.gz NCJXGTXHMUYBQI-CJFMBICVSA-N 1 2 459.594 4.132 20 0 JIADLO CC[C@@H](C)[C@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)c1cnc(OCc2ccccc2)cn1 ZINC001357246863 1067823867 /nfs/dbraw/zinc/82/38/67/1067823867.db2.gz NCJXGTXHMUYBQI-CJFMBICVSA-N 1 2 459.594 4.132 20 0 JIADLO CC[N@@H+]1CCn2c(-c3cnn(C)c3)cnc2C12CCN(C(=S)Nc1c(C)cccc1Cl)CC2 ZINC001200194009 1067826946 /nfs/dbraw/zinc/82/69/46/1067826946.db2.gz STLXXNSCYNBDOW-UHFFFAOYSA-N 1 2 484.073 4.269 20 0 JIADLO CC[N@H+]1CCn2c(-c3cnn(C)c3)cnc2C12CCN(C(=S)Nc1c(C)cccc1Cl)CC2 ZINC001200194009 1067826952 /nfs/dbraw/zinc/82/69/52/1067826952.db2.gz STLXXNSCYNBDOW-UHFFFAOYSA-N 1 2 484.073 4.269 20 0 JIADLO CCOc1c(Br)cc(Cl)cc1NC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001357448412 1067851516 /nfs/dbraw/zinc/85/15/16/1067851516.db2.gz LTGPQNPNQOBKLC-GOSISDBHSA-N 1 2 453.764 4.341 20 0 JIADLO CCOc1c(Br)cc(Cl)cc1NC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001357448412 1067851517 /nfs/dbraw/zinc/85/15/17/1067851517.db2.gz LTGPQNPNQOBKLC-GOSISDBHSA-N 1 2 453.764 4.341 20 0 JIADLO Cc1cc(Br)cc(C)c1NC(=S)Nc1sc2c(c1C(N)=O)CC[N@@H+](C)C2 ZINC001200221654 1067863330 /nfs/dbraw/zinc/86/33/30/1067863330.db2.gz ZKRXFQTVTYTLSV-UHFFFAOYSA-N 1 2 453.431 4.023 20 0 JIADLO Cc1cc(Br)cc(C)c1NC(=S)Nc1sc2c(c1C(N)=O)CC[N@H+](C)C2 ZINC001200221654 1067863333 /nfs/dbraw/zinc/86/33/33/1067863333.db2.gz ZKRXFQTVTYTLSV-UHFFFAOYSA-N 1 2 453.431 4.023 20 0 JIADLO O=C(Nc1cccc(CN2CCCC2=O)c1)[C@H](c1cccc(Br)c1)[NH+]1CCCC1 ZINC001353137696 1067877282 /nfs/dbraw/zinc/87/72/82/1067877282.db2.gz OBSPDRDEWODVNU-QFIPXVFZSA-N 1 2 456.384 4.347 20 0 JIADLO COc1ccc(C[NH+]2CCN(c3nnc(CC(C)(C)C)n3C[C@@H]3CCOC[C@@H]3C)CC2)cc1F ZINC001300232569 1067920361 /nfs/dbraw/zinc/92/03/61/1067920361.db2.gz ZCUBMCDVDCBXQP-FPOVZHCZSA-N 1 2 473.637 4.009 20 0 JIADLO COc1ccc(-c2nc(C(=O)N[C@@H](c3ccc(Cl)cc3)[C@H]3C[N@H+](C)CCO3)cs2)cc1 ZINC001358071332 1068007470 /nfs/dbraw/zinc/00/74/70/1068007470.db2.gz DIUSPTMDLVHNAH-RTWAWAEBSA-N 1 2 457.983 4.274 20 0 JIADLO COc1ccc(-c2nc(C(=O)N[C@@H](c3ccc(Cl)cc3)[C@H]3C[N@@H+](C)CCO3)cs2)cc1 ZINC001358071332 1068007486 /nfs/dbraw/zinc/00/74/86/1068007486.db2.gz DIUSPTMDLVHNAH-RTWAWAEBSA-N 1 2 457.983 4.274 20 0 JIADLO C[N@@H+]1CCO[C@H]([C@@H](NC(=O)CCc2ccc(OC(F)(F)F)cc2)c2ccc(Cl)cc2)C1 ZINC001358071339 1068008140 /nfs/dbraw/zinc/00/81/40/1068008140.db2.gz DKFCTICMBVOHIF-FPOVZHCZSA-N 1 2 456.892 4.359 20 0 JIADLO C[N@H+]1CCO[C@H]([C@@H](NC(=O)CCc2ccc(OC(F)(F)F)cc2)c2ccc(Cl)cc2)C1 ZINC001358071339 1068008155 /nfs/dbraw/zinc/00/81/55/1068008155.db2.gz DKFCTICMBVOHIF-FPOVZHCZSA-N 1 2 456.892 4.359 20 0 JIADLO CC(C)(C)OC(=O)NC1(C(=O)N2CC[NH+](Cc3ccc(-c4ccccc4F)s3)CC2)CC1 ZINC001353538611 1068303914 /nfs/dbraw/zinc/30/39/14/1068303914.db2.gz NTBIHVJDONTRKU-UHFFFAOYSA-N 1 2 459.587 4.256 20 0 JIADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)c1ccc(-c2ccc(OC(F)(F)F)cc2)s1 ZINC000521802328 1068335627 /nfs/dbraw/zinc/33/56/27/1068335627.db2.gz PUYCMHPBGAJTOC-UHFFFAOYSA-N 1 2 466.485 4.095 20 0 JIADLO COc1cccc(-c2nnc(N(C)CC(C)C)n2C[C@@H](c2cccs2)[NH+]2CCOCC2)c1 ZINC001300343793 1068336720 /nfs/dbraw/zinc/33/67/20/1068336720.db2.gz QLGHJXWGXYYQGZ-NRFANRHFSA-N 1 2 455.628 4.181 20 0 JIADLO Cc1nc(NCc2cccc(C(=O)N3CCO[C@@H](c4cccc(OC(F)F)c4)C3)c2)cc[nH+]1 ZINC000622468901 1068362666 /nfs/dbraw/zinc/36/26/66/1068362666.db2.gz ULCFCDCFAMJBGV-OAQYLSRUSA-N 1 2 454.477 4.212 20 0 JIADLO COc1cccc(-c2nnc(N(C)CCC(F)F)n2C[C@@H](c2cccs2)[NH+]2CCOCC2)c1 ZINC001300351925 1068364637 /nfs/dbraw/zinc/36/46/37/1068364637.db2.gz CPZBIMGEHBSRCP-IBGZPJMESA-N 1 2 477.581 4.180 20 0 JIADLO COc1cccc(-c2nnc(N3CCc4c(cc[nH+]c4N(C)C)C3)n2CCOCCC(C)C)c1 ZINC001300378212 1068459677 /nfs/dbraw/zinc/45/96/77/1068459677.db2.gz ZNFGWAGUFYTCQB-UHFFFAOYSA-N 1 2 464.614 4.040 20 0 JIADLO CSc1ccc([C@@H](CNC(=O)CCc2cnn(C)c2C)[N@@H+]2CCc3sccc3C2)cc1 ZINC001353920439 1068755480 /nfs/dbraw/zinc/75/54/80/1068755480.db2.gz YSEGLKVXYYLTIM-JOCHJYFZSA-N 1 2 454.665 4.360 20 0 JIADLO CSc1ccc([C@@H](CNC(=O)CCc2cnn(C)c2C)[N@H+]2CCc3sccc3C2)cc1 ZINC001353920439 1068755491 /nfs/dbraw/zinc/75/54/91/1068755491.db2.gz YSEGLKVXYYLTIM-JOCHJYFZSA-N 1 2 454.665 4.360 20 0 JIADLO COc1cc(NC(=S)N2CC3(C2)CC[N@H+](Cc2csc(C)n2)C3)c(OC)cc1Cl ZINC001200534673 1068843797 /nfs/dbraw/zinc/84/37/97/1068843797.db2.gz ALLPZHPAZPAJEY-UHFFFAOYSA-N 1 2 453.033 4.027 20 0 JIADLO COc1cc(NC(=S)N2CC3(C2)CC[N@@H+](Cc2csc(C)n2)C3)c(OC)cc1Cl ZINC001200534673 1068843799 /nfs/dbraw/zinc/84/37/99/1068843799.db2.gz ALLPZHPAZPAJEY-UHFFFAOYSA-N 1 2 453.033 4.027 20 0 JIADLO COc1ccccc1-c1nnc(N2CCc3c(cc[nH+]c3N(C)C)C2)n1C[C@@](C)(O)CCC(C)C ZINC001300494472 1068862429 /nfs/dbraw/zinc/86/24/29/1068862429.db2.gz QHJWZKNLGWLHIN-MHZLTWQESA-N 1 2 478.641 4.165 20 0 JIADLO COc1cc(NC(=S)NCCSCc2csc(C[NH+](C)C)n2)c(OC)cc1Cl ZINC001200546663 1068865959 /nfs/dbraw/zinc/86/59/59/1068865959.db2.gz LNRXXCWGKFDQIP-UHFFFAOYSA-N 1 2 461.078 4.095 20 0 JIADLO CC(C)(C)OC(=O)N1CCc2nc(C[NH+]3CCC(C)(C(=O)OC(C)(C)C)CC3)sc2C1 ZINC001474595006 1068883613 /nfs/dbraw/zinc/88/36/13/1068883613.db2.gz DYRQTDCTGBPUPE-UHFFFAOYSA-N 1 2 451.633 4.380 20 0 JIADLO COc1ccccc1C[C@H](C)N(C)c1nnc(CC(C)(C)C)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001300531297 1068942979 /nfs/dbraw/zinc/94/29/79/1068942979.db2.gz WLJHPQQDKBXTSD-IBGZPJMESA-N 1 2 450.631 4.452 20 0 JIADLO C[C@@H]1C[N@H+](CCNC(=O)c2ccc(Oc3ccc(Br)cc3)c(F)c2)[C@H](C)CO1 ZINC001300610241 1069213163 /nfs/dbraw/zinc/21/31/63/1069213163.db2.gz FVUDCZGDVHLUJJ-HUUCEWRRSA-N 1 2 451.336 4.220 20 0 JIADLO C[C@@H]1C[N@@H+](CCNC(=O)c2ccc(Oc3ccc(Br)cc3)c(F)c2)[C@H](C)CO1 ZINC001300610241 1069213194 /nfs/dbraw/zinc/21/31/94/1069213194.db2.gz FVUDCZGDVHLUJJ-HUUCEWRRSA-N 1 2 451.336 4.220 20 0 JIADLO CCOC(=O)c1cnc(SC)nc1N1CCC2(CC1)c1ncc(-c3ccccc3)n1CC[N@H+]2CC ZINC001164664555 719345313 /nfs/dbraw/zinc/34/53/13/719345313.db2.gz YIIRFYDHNKKLAJ-UHFFFAOYSA-N 1 2 492.649 4.070 20 0 JIADLO CCOC(=O)c1cnc(SC)nc1N1CCC2(CC1)c1ncc(-c3ccccc3)n1CC[N@@H+]2CC ZINC001164664555 719345315 /nfs/dbraw/zinc/34/53/15/719345315.db2.gz YIIRFYDHNKKLAJ-UHFFFAOYSA-N 1 2 492.649 4.070 20 0 JIADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1cc(Cl)ncc1C(=O)OC)CC2 ZINC001164663831 719345845 /nfs/dbraw/zinc/34/58/45/719345845.db2.gz NEEIKDYFIGSCCM-UHFFFAOYSA-N 1 2 465.985 4.216 20 0 JIADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1cc(Cl)ncc1C(=O)OC)CC2 ZINC001164663831 719345848 /nfs/dbraw/zinc/34/58/48/719345848.db2.gz NEEIKDYFIGSCCM-UHFFFAOYSA-N 1 2 465.985 4.216 20 0 JIADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ncc3c(cccc3C(=O)OC)n1)CC2 ZINC001164664110 719348335 /nfs/dbraw/zinc/34/83/35/719348335.db2.gz RJVVFQMZENCMSK-UHFFFAOYSA-N 1 2 482.588 4.111 20 0 JIADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ncc3c(cccc3C(=O)OC)n1)CC2 ZINC001164664110 719348339 /nfs/dbraw/zinc/34/83/39/719348339.db2.gz RJVVFQMZENCMSK-UHFFFAOYSA-N 1 2 482.588 4.111 20 0 JIADLO CCOC(=O)/C=C\c1ccc(N2CCC3(CC2)c2ncc(-c4ccccc4)n2CC[N@H+]3CC)nc1 ZINC001164658925 719352022 /nfs/dbraw/zinc/35/20/22/719352022.db2.gz MBMVBILPUBMLHL-QBFSEMIESA-N 1 2 471.605 4.353 20 0 JIADLO CCOC(=O)/C=C\c1ccc(N2CCC3(CC2)c2ncc(-c4ccccc4)n2CC[N@@H+]3CC)nc1 ZINC001164658925 719352027 /nfs/dbraw/zinc/35/20/27/719352027.db2.gz MBMVBILPUBMLHL-QBFSEMIESA-N 1 2 471.605 4.353 20 0 JIADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ncccc1-c1nc(C)no1)CC2 ZINC001164660631 719353748 /nfs/dbraw/zinc/35/37/48/719353748.db2.gz WFCUZZMPEOPFOZ-UHFFFAOYSA-N 1 2 455.566 4.135 20 0 JIADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ncccc1-c1nc(C)no1)CC2 ZINC001164660631 719353753 /nfs/dbraw/zinc/35/37/53/719353753.db2.gz WFCUZZMPEOPFOZ-UHFFFAOYSA-N 1 2 455.566 4.135 20 0 JIADLO CCOC(=O)c1c(Cl)cc(C)nc1N1CCC2(CC1)COCC[N@@H+]2Cc1ccc(F)cc1 ZINC001164665765 719493810 /nfs/dbraw/zinc/49/38/10/719493810.db2.gz BHKHKBADJVUHOU-UHFFFAOYSA-N 1 2 461.965 4.231 20 0 JIADLO CCOC(=O)c1c(Cl)cc(C)nc1N1CCC2(CC1)COCC[N@H+]2Cc1ccc(F)cc1 ZINC001164665765 719493825 /nfs/dbraw/zinc/49/38/25/719493825.db2.gz BHKHKBADJVUHOU-UHFFFAOYSA-N 1 2 461.965 4.231 20 0 JIADLO NC(=O)c1ccc(-c2c[nH+]c3n2CCC32CCN(C(F)(F)c3nc(Cl)ncc3Cl)CC2)cc1 ZINC001164698273 719829860 /nfs/dbraw/zinc/82/98/60/719829860.db2.gz SXKBGGNIMCTJAO-UHFFFAOYSA-N 1 2 493.345 4.233 20 0 JIADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nc2ccc(Cl)cc2c(-c2ccccc2)n1 ZINC001164708471 719867415 /nfs/dbraw/zinc/86/74/15/719867415.db2.gz ZKWPPFLYMPGROT-FNZWTVRRSA-N 1 2 480.996 4.183 20 0 JIADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1cc(-c2ccccc2)nc(-c2cccs2)n1 ZINC001164708207 719872306 /nfs/dbraw/zinc/87/23/06/719872306.db2.gz YQJCZYYWNBCWKG-FQRUVTKNSA-N 1 2 478.618 4.105 20 0 JIADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ccc(-c2ccc(Oc3ccccc3)cc2)nn1 ZINC001164702978 719874910 /nfs/dbraw/zinc/87/49/10/719874910.db2.gz JKNPUUYUXPNLCB-DWACAAAGSA-N 1 2 488.588 4.169 20 0 JIADLO Fc1ccc(-c2cc(C(F)(F)N3CCCn4nnc(Cn5cc[nH+]c5)c4C3)cnc2Cl)cc1 ZINC001164831089 720398801 /nfs/dbraw/zinc/39/88/01/720398801.db2.gz UXIILRHBPMMPTD-UHFFFAOYSA-N 1 2 473.890 4.333 20 0 JIADLO CCOC(=O)c1sc2nc(C[NH+]3CCCCC3)nc(N3C[C@@H]4CCC[C@@]4(COC)C3)c2c1C ZINC001164848697 720791384 /nfs/dbraw/zinc/79/13/84/720791384.db2.gz QOBMPNIWXOWBBK-BVZFJXPGSA-N 1 2 472.655 4.415 20 0 JIADLO Fc1cccc2c(Cl)nc(C(F)(F)N3Cc4c[nH+]cn4C[C@@H](COCC4CC4)C3)nc12 ZINC001164757313 720974688 /nfs/dbraw/zinc/97/46/88/720974688.db2.gz OEAIHNPFTJWKMX-CQSZACIVSA-N 1 2 451.880 4.227 20 0 JIADLO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2C[C@@H]3CN(Cc4nccs4)C[C@H]3C2)n1 ZINC001164790220 721426700 /nfs/dbraw/zinc/42/67/00/721426700.db2.gz XFTXMFVGDVMVRD-ROUUACIJSA-N 1 2 456.685 4.175 20 0 JIADLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(c1nc(-c3ccccc3F)nc3ccc(F)cc31)C2 ZINC001165011726 721699552 /nfs/dbraw/zinc/69/95/52/721699552.db2.gz XCYAPHXYTUMSLK-UHFFFAOYSA-N 1 2 463.536 4.417 20 0 JIADLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(c1nc(-c3ccccc3F)nc3ccc(F)cc31)C2 ZINC001165011726 721699556 /nfs/dbraw/zinc/69/95/56/721699556.db2.gz XCYAPHXYTUMSLK-UHFFFAOYSA-N 1 2 463.536 4.417 20 0 JIADLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(c1nc(-c3ccccc3)nc(-c3ccccc3)n1)C2 ZINC001165010393 721702263 /nfs/dbraw/zinc/70/22/63/721702263.db2.gz HWPYNMAKVZIQOD-UHFFFAOYSA-N 1 2 454.582 4.048 20 0 JIADLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(c1nc(-c3ccccc3)nc(-c3ccccc3)n1)C2 ZINC001165010393 721702267 /nfs/dbraw/zinc/70/22/67/721702267.db2.gz HWPYNMAKVZIQOD-UHFFFAOYSA-N 1 2 454.582 4.048 20 0 JIADLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(c1ncnc3scc(-c4ccc(F)cc4)c31)C2 ZINC001165008622 721712186 /nfs/dbraw/zinc/71/21/86/721712186.db2.gz IZGQXWZWJCHAPD-UHFFFAOYSA-N 1 2 451.575 4.339 20 0 JIADLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(c1ncnc3scc(-c4ccc(F)cc4)c31)C2 ZINC001165008622 721712193 /nfs/dbraw/zinc/71/21/93/721712193.db2.gz IZGQXWZWJCHAPD-UHFFFAOYSA-N 1 2 451.575 4.339 20 0 JIADLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(c1ncnc3cc(OCc4ccccc4)ccc31)C2 ZINC001165011532 721720036 /nfs/dbraw/zinc/72/00/36/721720036.db2.gz RMJBFLJXCDFIFK-UHFFFAOYSA-N 1 2 457.582 4.051 20 0 JIADLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(c1ncnc3cc(OCc4ccccc4)ccc31)C2 ZINC001165011532 721720045 /nfs/dbraw/zinc/72/00/45/721720045.db2.gz RMJBFLJXCDFIFK-UHFFFAOYSA-N 1 2 457.582 4.051 20 0 JIADLO Clc1nc(Cl)c(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)c(Cl)c1Cl ZINC001164913358 721775831 /nfs/dbraw/zinc/77/58/31/721775831.db2.gz XKHLKOKSCJBQAA-IBGZPJMESA-N 1 2 478.207 4.198 20 0 JIADLO Clc1nc(Cl)c(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)c(Cl)c1Cl ZINC001164913358 721775843 /nfs/dbraw/zinc/77/58/43/721775843.db2.gz XKHLKOKSCJBQAA-IBGZPJMESA-N 1 2 478.207 4.198 20 0 JIADLO c1ccc(-c2cc(-c3ccccc3)nc(N3CCO[C@@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)n2)cc1 ZINC001164910155 721776001 /nfs/dbraw/zinc/77/60/01/721776001.db2.gz AFHWNSGNOCRJNG-PMERELPUSA-N 1 2 493.611 4.313 20 0 JIADLO c1ccc(-c2cc(-c3ccccc3)nc(N3CCO[C@@]4(C3)COCC[N@H+](Cc3cccnc3)C4)n2)cc1 ZINC001164910155 721776011 /nfs/dbraw/zinc/77/60/11/721776011.db2.gz AFHWNSGNOCRJNG-PMERELPUSA-N 1 2 493.611 4.313 20 0 JIADLO c1ccc(COc2ccc3nc(N4CCO[C@@]5(C4)COCC[N@H+](Cc4cccnc4)C5)ccc3c2)cc1 ZINC001164914480 721786624 /nfs/dbraw/zinc/78/66/24/721786624.db2.gz DLLXJMAPDLUYLA-PMERELPUSA-N 1 2 496.611 4.317 20 0 JIADLO c1ccc(COc2ccc3nc(N4CCO[C@@]5(C4)COCC[N@@H+](Cc4cccnc4)C5)ccc3c2)cc1 ZINC001164914480 721786627 /nfs/dbraw/zinc/78/66/27/721786627.db2.gz DLLXJMAPDLUYLA-PMERELPUSA-N 1 2 496.611 4.317 20 0 JIADLO CC(C)(C)CCCn1c(CN2CCCC2=O)nnc1N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC001359545690 1069848763 /nfs/dbraw/zinc/84/87/63/1069848763.db2.gz AUGMYPXEWJKFEG-UHFFFAOYSA-N 1 2 473.065 4.202 20 0 JIADLO CC(C)=CCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1 ZINC001359606310 1070066344 /nfs/dbraw/zinc/06/63/44/1070066344.db2.gz HOOFFRDOLQWJGX-FGZHOGPDSA-N 1 2 498.647 4.046 20 0 JIADLO CC(C)c1nnc(N(C)[C@@H](C)c2ccc(S(C)(=O)=O)cc2)n1Cc1ccc(N2CCCC2)[nH+]c1 ZINC001359676437 1070330872 /nfs/dbraw/zinc/33/08/72/1070330872.db2.gz IOXBRLHRTXQHBU-IBGZPJMESA-N 1 2 482.654 4.046 20 0 JIADLO CC(C)c1nnc(N2CCC[C@@H](C(=O)Nc3ccc(Cl)cn3)C2)n1CCCNc1cccc[nH+]1 ZINC001359705185 1070370541 /nfs/dbraw/zinc/37/05/41/1070370541.db2.gz ZJWRGMRZHNOREH-GOSISDBHSA-N 1 2 483.020 4.202 20 0 JIADLO CC(C)c1nnc(N2CCc3nc(C(F)(F)F)ncc3C2)n1C[C@@H](c1c(F)cccc1F)[NH+](C)C ZINC001359704555 1070370635 /nfs/dbraw/zinc/37/06/35/1070370635.db2.gz LFZIQRWBMBKLDI-SFHVURJKSA-N 1 2 495.500 4.354 20 0 JIADLO COc1ccc(CN(C)c2nnc(CC(C)C)n2Cc2ccc(N3CCCC3)[nH+]c2)cc1OC ZINC001315481146 1064342221 /nfs/dbraw/zinc/34/22/21/1064342221.db2.gz ZDVLSCCFEBJIQM-UHFFFAOYSA-N 1 2 464.614 4.174 20 0 JIADLO COc1ccc(C[NH+]2CCN(c3nnc(C(C)(C)C)n3C[C@](C)(O)C3CCCCC3)CC2)cc1F ZINC001315504791 1064416616 /nfs/dbraw/zinc/41/66/16/1064416616.db2.gz ISVVFXDJODKQAE-MHZLTWQESA-N 1 2 487.664 4.377 20 0 JIADLO COc1ccc(F)cc1C[NH+]1CCN(c2nnc(Cc3ccncc3)n2CCC=C(C)C)CC1 ZINC001315516058 1064464080 /nfs/dbraw/zinc/46/40/80/1064464080.db2.gz XKUHWFMVMJWNIV-UHFFFAOYSA-N 1 2 464.589 4.090 20 0 JIADLO COc1cccc(-c2nnc(N(C)C[C@@H](C)c3nccs3)n2Cc2c[nH+]ccc2OC)c1 ZINC001315550407 1064566588 /nfs/dbraw/zinc/56/65/88/1064566588.db2.gz WLYFWPCICHOHSG-MRXNPFEDSA-N 1 2 450.568 4.102 20 0 JIADLO COc1ccccc1-c1nnc(N2CCC[C@@H](NC(=O)C(C)(C)C)C2)n1CCCc1cccc(C)[nH+]1 ZINC001315601771 1064711305 /nfs/dbraw/zinc/71/13/05/1064711305.db2.gz ACHBVIMAMLQWHA-JOCHJYFZSA-N 1 2 490.652 4.421 20 0 JIADLO COc1ccccc1O[C@H](C)Cn1c(CC(C)C)nnc1N1CC[NH+](Cc2cnc(C)s2)CC1 ZINC001315648846 1064824371 /nfs/dbraw/zinc/82/43/71/1064824371.db2.gz QJISCRJPGKDDGU-LJQANCHMSA-N 1 2 484.670 4.040 20 0 JIADLO COc1ccccc1OCc1nnc(N2CCC(C)(C)CC2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001315653072 1064837608 /nfs/dbraw/zinc/83/76/08/1064837608.db2.gz DIUDMCDWORRQAV-UHFFFAOYSA-N 1 2 450.587 4.001 20 0 JIADLO COc1ccccc1OCc1nnc(N2CCC(C)(C)CC2)n1CCCNc1cccc[nH+]1 ZINC001315653653 1064839011 /nfs/dbraw/zinc/83/90/11/1064839011.db2.gz LASIKNVDZQDINM-UHFFFAOYSA-N 1 2 450.587 4.389 20 0 JIADLO COc1ccccc1SCc1nnc(N2C[C@@H](C)CC[C@@H]2C)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001315662520 1064866023 /nfs/dbraw/zinc/86/60/23/1064866023.db2.gz QVLRXERJJLKXKI-PMACEKPBSA-N 1 2 473.687 4.315 20 0 JIADLO COc1ccccc1SCc1nnc(N2C[C@@H](C)CC[C@@H]2C)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001315662520 1064866032 /nfs/dbraw/zinc/86/60/32/1064866032.db2.gz QVLRXERJJLKXKI-PMACEKPBSA-N 1 2 473.687 4.315 20 0 JIADLO COc1cc[nH+]cc1Cn1c(-c2ccc(Cl)cc2F)nnc1N1C[C@H](C(F)(F)F)O[C@@H](C)C1 ZINC001315668995 1064894211 /nfs/dbraw/zinc/89/42/11/1064894211.db2.gz GBYDMNTXWAWTPM-KPZWWZAWSA-N 1 2 485.869 4.346 20 0 JIADLO COc1cc[nH+]cc1Cn1c(-c2cccnc2)nnc1N(C)Cc1ccc(Br)cc1 ZINC001315669609 1064897434 /nfs/dbraw/zinc/89/74/34/1064897434.db2.gz NVTQHOZDYQBLAH-UHFFFAOYSA-N 1 2 465.355 4.191 20 0 JIADLO COc1cc[nH+]cc1Cn1c(-c2ccc(C)c(Br)c2)nnc1N1C[C@@H](C)O[C@@H](C)C1 ZINC001315669864 1064898115 /nfs/dbraw/zinc/89/81/15/1064898115.db2.gz PHWNKNQYPUPWJR-IYBDPMFKSA-N 1 2 472.387 4.082 20 0 JIADLO COC1CCC(Cn2c([C@@H](C)Oc3cccc(C)c3C)nnc2N(C)CC[NH+]2CCOCC2)CC1 ZINC001315679670 1064921125 /nfs/dbraw/zinc/92/11/25/1064921125.db2.gz AXKMOBMRXFBYDU-ZKMFCFPVSA-N 1 2 485.673 4.009 20 0 JIADLO COCC(C)(C)Cn1c(-c2ccccc2C)nnc1N(C)C[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC001315765650 1065083351 /nfs/dbraw/zinc/08/33/51/1065083351.db2.gz SMHOKQINBOHMRJ-QFIPXVFZSA-N 1 2 483.682 4.497 20 0 JIADLO COCC(C)(C)Cn1c(-c2ccccc2C)nnc1N(C)C[C@H](c1cccs1)[NH+]1CCOCC1 ZINC001315765648 1065083487 /nfs/dbraw/zinc/08/34/87/1065083487.db2.gz SMHOKQINBOHMRJ-JOCHJYFZSA-N 1 2 483.682 4.497 20 0 JIADLO COC[C@@H](C)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CC[C@@H]([NH+]2CCN(C(C)C)CC2)C1 ZINC001315781428 1065111868 /nfs/dbraw/zinc/11/18/68/1065111868.db2.gz KLDQWQSVMHYFCC-AZUAARDMSA-N 1 2 495.499 4.139 20 0 JIADLO COCCC(C)(C)Cn1c(CC2CCCC2)nnc1N1CC[NH+](Cc2cnc(C)s2)CC1 ZINC001315961851 1065515719 /nfs/dbraw/zinc/51/57/19/1065515719.db2.gz MSKSTYOGMBLBFX-UHFFFAOYSA-N 1 2 460.692 4.161 20 0 JIADLO COCC[C@@H]1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCCc2cccc(C)[nH+]2)C1 ZINC001316002289 1065586198 /nfs/dbraw/zinc/58/61/98/1065586198.db2.gz HWZVMPFOXOLKLI-MDNUFGMLSA-N 1 2 455.647 4.396 20 0 JIADLO COCCCCCn1c(-c2cccn2C)nnc1N1CC[NH+]([C@H](C)c2ccc(F)cc2F)CC1 ZINC001316007974 1065597865 /nfs/dbraw/zinc/59/78/65/1065597865.db2.gz RUMVPEGWFWXSJF-LJQANCHMSA-N 1 2 472.584 4.262 20 0 JIADLO COCCCN(C)c1nnc(-c2ccc(Cl)cc2F)n1Cc1ccc(N2CCCC2)[nH+]c1 ZINC001316022047 1065625321 /nfs/dbraw/zinc/62/53/21/1065625321.db2.gz LZMWIACRTYYZSP-UHFFFAOYSA-N 1 2 458.969 4.254 20 0 JIADLO COCCN(C)c1nnc(-c2ccc(Br)s2)n1Cc1cc[nH+]c(N2CCCCC2)c1 ZINC001316057221 1065693553 /nfs/dbraw/zinc/69/35/53/1065693553.db2.gz QTAMATSIOWRVQO-UHFFFAOYSA-N 1 2 491.459 4.285 20 0 JIADLO COCCO[C@H](C)c1nnc(N2C[C@@H](C)CC(C)(C)C2)n1C[C@H](c1cccc(C)c1)[NH+]1CCOCC1 ZINC001316160177 1065826251 /nfs/dbraw/zinc/82/62/51/1065826251.db2.gz HBMRYXBLRNIVOH-JBRSBNLGSA-N 1 2 499.700 4.256 20 0 JIADLO COCCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CCCc2cccc(C)[nH+]2)C1 ZINC001316242912 1065984187 /nfs/dbraw/zinc/98/41/87/1065984187.db2.gz YUIQJHAZLQDJJN-HXUWFJFHSA-N 1 2 473.980 4.316 20 0 JIADLO CCOCCCn1c2nn(C[N@@H+]3CC[C@H]4CCCC[C@H]4C3)c(=S)n2c2ccccc2c1=O ZINC001324990949 1066234831 /nfs/dbraw/zinc/23/48/31/1066234831.db2.gz VOUSHYRLLDMGJN-MOPGFXCFSA-N 1 2 455.628 4.076 20 0 JIADLO CCOCCCn1c2nn(C[N@H+]3CC[C@H]4CCCC[C@H]4C3)c(=S)n2c2ccccc2c1=O ZINC001324990949 1066234837 /nfs/dbraw/zinc/23/48/37/1066234837.db2.gz VOUSHYRLLDMGJN-MOPGFXCFSA-N 1 2 455.628 4.076 20 0 JIADLO CSCCCN(C)c1nnc(CC(C)(C)C)n1C[C@H](c1cccc(C)c1)[NH+]1CCOCC1 ZINC001316468005 1066372358 /nfs/dbraw/zinc/37/23/58/1066372358.db2.gz FNCKFEILRFVHMQ-JOCHJYFZSA-N 1 2 459.704 4.438 20 0 JIADLO CSCCCN(C)c1nnc(Cc2csc(C)n2)n1Cc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC001316468323 1066372978 /nfs/dbraw/zinc/37/29/78/1066372978.db2.gz KMWZOYVCOADTPT-UHFFFAOYSA-N 1 2 471.631 4.196 20 0 JIADLO CC[NH+](CC)Cc1csc(NC(=O)C2CCN(S(=O)(=O)c3ccc(C(C)C)cc3)CC2)n1 ZINC001334536584 1066396631 /nfs/dbraw/zinc/39/66/31/1066396631.db2.gz CZQXCZWPRCTVSR-UHFFFAOYSA-N 1 2 478.684 4.148 20 0 JIADLO Cc1cccc(CCCn2c([C@@H]3CCCOC3)nnc2N2CCC[C@H](CNC(=O)OC(C)(C)C)C2)[nH+]1 ZINC001492525833 1066412392 /nfs/dbraw/zinc/41/23/92/1066412392.db2.gz IPZSLCOZSNPSCL-FGZHOGPDSA-N 1 2 498.672 4.249 20 0 JIADLO Cc1cccc(CCCn2c([C@H]3CCCOC3)nnc2N2CCC(NC(=O)OC(C)(C)C)CC2)[nH+]1 ZINC001492526403 1066415072 /nfs/dbraw/zinc/41/50/72/1066415072.db2.gz XMDATJSPRPWQPS-FQEVSTJZSA-N 1 2 484.645 4.002 20 0 JIADLO Cc1cccc(CCCn2c(CC(C)(C)C)nnc2N(C)Cc2nc3ccccc3c(=O)[nH]2)[nH+]1 ZINC001492526578 1066416083 /nfs/dbraw/zinc/41/60/83/1066416083.db2.gz DLMYPUFBOPSLBB-UHFFFAOYSA-N 1 2 459.598 4.488 20 0 JIADLO Cc1cccc(CCCn2c(CC3CC3)nnc2N2CCC(CNC(=O)OC(C)(C)C)CC2)[nH+]1 ZINC001492526913 1066418546 /nfs/dbraw/zinc/41/85/46/1066418546.db2.gz PIUXBDMMDOGCOW-UHFFFAOYSA-N 1 2 468.646 4.308 20 0 JIADLO CC(C)CCn1c2nn(C[N@@H+]3CCCN4c5ccccc5C[C@H]4C3)c(=S)n2c2ccccc2c1=O ZINC001336688379 1066441948 /nfs/dbraw/zinc/44/19/48/1066441948.db2.gz FKKDMRBUXYRFDQ-NRFANRHFSA-N 1 2 488.661 4.321 20 0 JIADLO CC(C)CCn1c2nn(C[N@H+]3CCCN4c5ccccc5C[C@H]4C3)c(=S)n2c2ccccc2c1=O ZINC001336688379 1066441965 /nfs/dbraw/zinc/44/19/65/1066441965.db2.gz FKKDMRBUXYRFDQ-NRFANRHFSA-N 1 2 488.661 4.321 20 0 JIADLO COc1ccc(-c2nc(CSCCC(=O)N3CCN(c4cccc[nH+]4)CC3)cs2)cc1OC ZINC001337327797 1066475380 /nfs/dbraw/zinc/47/53/80/1066475380.db2.gz SQBNXVJFIJEMJW-UHFFFAOYSA-N 1 2 484.647 4.194 20 0 JIADLO C[C@@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)Nc2ccc3nc(C[NH+]4CCCCC4)[nH]c3c2)cc1 ZINC001338429392 1066554997 /nfs/dbraw/zinc/55/49/97/1066554997.db2.gz JPXSZKHFYDSKJN-LJQANCHMSA-N 1 2 495.649 4.364 20 0 JIADLO Cc1cccc([C@@H](Cn2c(C(C)C)nnc2N2CCC[C@@H](OCC(F)(F)F)C2)[NH+]2CCOCC2)c1 ZINC001492479971 1066625832 /nfs/dbraw/zinc/62/58/32/1066625832.db2.gz IWSMBYQVLINVRE-FGZHOGPDSA-N 1 2 495.590 4.331 20 0 JIADLO Cc1cccc([C@@H](Cn2c(N3CCC=C(Br)C3)nnc2C(C)(C)C)[NH+]2CCOCC2)c1 ZINC001492480537 1066626567 /nfs/dbraw/zinc/62/65/67/1066626567.db2.gz MWQQTHNCRIIZHA-OAQYLSRUSA-N 1 2 488.474 4.446 20 0 JIADLO Cc1cc(NC(=O)CSCC(=O)O[C@H](Cn2cc[nH+]c2)c2ccc(Cl)cc2Cl)no1 ZINC001344507505 1066629919 /nfs/dbraw/zinc/62/99/19/1066629919.db2.gz PCNWOFYDUBHDFJ-MRXNPFEDSA-N 1 2 469.350 4.143 20 0 JIADLO CC[C@@H](c1nnc(SCc2cnc(-c3ccccc3)s2)n1CCN1CCOCC1)[NH+](C)C ZINC001317697205 1066634725 /nfs/dbraw/zinc/63/47/25/1066634725.db2.gz OJNNSORHGUGUPQ-FQEVSTJZSA-N 1 2 472.684 4.039 20 0 JIADLO CCN(CC)S(=O)(=O)c1cc(C(=O)O[C@H](Cn2cc[nH+]c2)c2ccc(Cl)cc2Cl)n(C)c1 ZINC001344788084 1066635733 /nfs/dbraw/zinc/63/57/33/1066635733.db2.gz QWTAZAUITVXAPV-HXUWFJFHSA-N 1 2 499.420 4.157 20 0 JIADLO CCOC(=O)C1=C(C[NH+]2CCC(Nc3ccccc3)CC2)NC(=O)N[C@@H]1c1ccc(Cl)cc1 ZINC001345018294 1066638172 /nfs/dbraw/zinc/63/81/72/1066638172.db2.gz XABQVGCRZPDXFB-HSZRJFAPSA-N 1 2 468.985 4.088 20 0 JIADLO CCOC(=O)C1C(C[NH+]2CCC(Nc3ccccc3)CC2)=NC(=O)N[C@@H]1c1ccc(Cl)cc1 ZINC001345018294 1066638179 /nfs/dbraw/zinc/63/81/79/1066638179.db2.gz XABQVGCRZPDXFB-HSZRJFAPSA-N 1 2 468.985 4.088 20 0 JIADLO Cn1cc(-c2nc(C[NH+]3CCC(N(CC(F)(F)F)C(=O)c4ccccc4F)CC3)cs2)cn1 ZINC001347685244 1066685220 /nfs/dbraw/zinc/68/52/20/1066685220.db2.gz LESKFXDGDZZDGP-UHFFFAOYSA-N 1 2 481.519 4.352 20 0 JIADLO CCOc1ccc(NS(=O)(=O)c2cc(C(=O)N3CC[NH+](C(C)(C)C)CC3)ccc2Cl)cc1 ZINC001317918230 1066786386 /nfs/dbraw/zinc/78/63/86/1066786386.db2.gz GKEQHKCGXWMNIV-UHFFFAOYSA-N 1 2 480.030 4.096 20 0 JIADLO CCOC(=O)c1c(-c2ccccc2Cl)csc1NC(=O)CSCC[NH+]1CCOCC1 ZINC001317929864 1066792660 /nfs/dbraw/zinc/79/26/60/1066792660.db2.gz QLLTVEUYFZLPOJ-UHFFFAOYSA-N 1 2 469.028 4.249 20 0 JIADLO Cc1oc(-c2cccc(C(F)(F)F)c2)nc1C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001349100835 1066807411 /nfs/dbraw/zinc/80/74/11/1066807411.db2.gz BONPXSLASHKFEN-FQEVSTJZSA-N 1 2 459.468 4.300 20 0 JIADLO Cc1oc(-c2cccc(C(F)(F)F)c2)nc1C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001349100835 1066807416 /nfs/dbraw/zinc/80/74/16/1066807416.db2.gz BONPXSLASHKFEN-FQEVSTJZSA-N 1 2 459.468 4.300 20 0 JIADLO COCCn1cc(NC(=O)NC[C@H](c2ccc(SC)cc2)[N@@H+]2CCc3sccc3C2)ccc1=O ZINC001318014509 1066852287 /nfs/dbraw/zinc/85/22/87/1066852287.db2.gz POSPBICNAGVULV-JOCHJYFZSA-N 1 2 498.674 4.199 20 0 JIADLO COCCn1cc(NC(=O)NC[C@H](c2ccc(SC)cc2)[N@H+]2CCc3sccc3C2)ccc1=O ZINC001318014509 1066852291 /nfs/dbraw/zinc/85/22/91/1066852291.db2.gz POSPBICNAGVULV-JOCHJYFZSA-N 1 2 498.674 4.199 20 0 JIADLO Cc1nc(SC2CCCC2)sc1CC(=O)Nc1ccccc1C(=O)N1CC[NH+](C)CC1 ZINC001349745589 1066880162 /nfs/dbraw/zinc/88/01/62/1066880162.db2.gz JJPLMNOLONZJSH-UHFFFAOYSA-N 1 2 458.653 4.055 20 0 JIADLO CCN(C[C@H]1COc2ccccc2O1)C(=O)[C@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC001349830938 1066887338 /nfs/dbraw/zinc/88/73/38/1066887338.db2.gz BFCPMBKSBJDBKV-UGKGYDQZSA-N 1 2 459.384 4.275 20 0 JIADLO CC(C)(C)[NH+]1CCN(C(=O)c2ccc(NS(=O)(=O)c3cc(Cl)ccc3Cl)cc2)CC1 ZINC001318078949 1066888985 /nfs/dbraw/zinc/88/89/85/1066888985.db2.gz XVMPTWODJRKLOG-UHFFFAOYSA-N 1 2 470.422 4.351 20 0 JIADLO O=C1Nc2ccccc2[C@@H]1C1CC[NH+](CN2C(=O)NC3(CCC(c4ccccc4)CC3)C2=O)CC1 ZINC001318165839 1066933763 /nfs/dbraw/zinc/93/37/63/1066933763.db2.gz IGFTUDZZMXZNAM-CJWSQJNTSA-N 1 2 472.589 4.040 20 0 JIADLO CCC(C)(C)C1CCC2(CC1)NC(=O)N(C[NH+]1CCC([C@@H]3c4ccccc4NC3=O)CC1)C2=O ZINC001318217515 1066966132 /nfs/dbraw/zinc/96/61/32/1066966132.db2.gz VWUPPAFGUXXPHD-QLEGCBLDSA-N 1 2 466.626 4.309 20 0 JIADLO O=C(Nc1ccc(CN2CCCC2=O)cc1)[C@H](c1cccc(Br)c1)[NH+]1CCCC1 ZINC001350604171 1066978063 /nfs/dbraw/zinc/97/80/63/1066978063.db2.gz KLIMKPDKKBGNKX-QFIPXVFZSA-N 1 2 456.384 4.347 20 0 JIADLO CC(C)(C)OC(=O)N1CCC(c2nc(-c3cccc(C[NH+]4CCOCC4)c3)no2)(C(F)(F)F)CC1 ZINC001350673561 1066986452 /nfs/dbraw/zinc/98/64/52/1066986452.db2.gz LAUIOFQMNRUUNL-UHFFFAOYSA-N 1 2 496.530 4.400 20 0 JIADLO Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)[C@H](c1ccc(Cl)cc1)[NH+](C)C ZINC001350695275 1066990112 /nfs/dbraw/zinc/99/01/12/1066990112.db2.gz MPIPVGKYSQMNTQ-IBGZPJMESA-N 1 2 452.780 4.111 20 0 JIADLO CCN(CC)S(=O)(=O)c1ccc(Cl)c(NC(=O)[C@@H](c2cccc(Cl)c2)[NH+](C)C)c1 ZINC001350983113 1067027156 /nfs/dbraw/zinc/02/71/56/1067027156.db2.gz QLMSYRRPPNALAL-LJQANCHMSA-N 1 2 458.411 4.265 20 0 JIADLO COc1cc[nH+]cc1Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCC(F)(F)C1 ZINC001300693707 1067045915 /nfs/dbraw/zinc/04/59/15/1067045915.db2.gz WOODPEXPQJOBRG-UHFFFAOYSA-N 1 2 459.497 4.038 20 0 JIADLO CNC(=O)Nc1cccc(C(=O)N2CC[NH+](Cc3ccc(-c4cccc(F)c4)s3)CC2)c1 ZINC001354694045 1067047254 /nfs/dbraw/zinc/04/72/54/1067047254.db2.gz WQCVIAKSWRNREV-UHFFFAOYSA-N 1 2 452.555 4.264 20 0 JIADLO COc1cc[nH+]cc1Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N(C)C[C@@H]1CCCOC1 ZINC001300694172 1067047992 /nfs/dbraw/zinc/04/79/92/1067047992.db2.gz OPMFLLKTIWYHPL-MSOLQXFVSA-N 1 2 471.989 4.386 20 0 JIADLO COc1cc[nH+]cc1Cn1c(-c2ccc(Br)s2)nnc1N(C)Cc1ccoc1 ZINC001300694139 1067048126 /nfs/dbraw/zinc/04/81/26/1067048126.db2.gz NXPHLHTVVOJDPB-UHFFFAOYSA-N 1 2 460.357 4.450 20 0 JIADLO COc1cc[nH+]cc1Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCC[C@@H]1C(C)C ZINC001300694386 1067048329 /nfs/dbraw/zinc/04/83/29/1067048329.db2.gz RIQAPIIOSJWPQX-LJQANCHMSA-N 1 2 467.570 4.048 20 0 JIADLO COc1cc[nH+]cc1Cn1c(-c2ccc(Br)cc2Cl)nnc1N1CC[C@H](OC)C1 ZINC001300694250 1067048403 /nfs/dbraw/zinc/04/84/03/1067048403.db2.gz PZBNEIYLSSWOJW-HNNXBMFYSA-N 1 2 478.778 4.038 20 0 JIADLO COc1cc[nH+]cc1Cn1c(CNC(=O)c2cccs2)nnc1N(C)Cc1cccc(Cl)c1 ZINC001300694831 1067049403 /nfs/dbraw/zinc/04/94/03/1067049403.db2.gz FBMBRJKSGSYQHF-UHFFFAOYSA-N 1 2 482.997 4.011 20 0 JIADLO COc1cc[nH+]cc1Cn1c(Cn2nc(C)cc2C)nnc1N(C)Cc1c(F)cccc1Cl ZINC001300695551 1067051893 /nfs/dbraw/zinc/05/18/93/1067051893.db2.gz YDJHZXPDRNIYSI-UHFFFAOYSA-N 1 2 469.952 4.021 20 0 JIADLO CN(C(=O)OC(C)(C)C)C1(C)CC[NH+]([C@H]2CC(=O)N(c3ccccc3C(F)(F)F)C2=O)CC1 ZINC001318619936 1067057012 /nfs/dbraw/zinc/05/70/12/1067057012.db2.gz GMRQPAVDWJEZQO-KRWDZBQOSA-N 1 2 469.504 4.059 20 0 JIADLO COc1cc[nH+]cc1Cn1c(COc2ccccc2OC)nnc1N(C)[C@H]1CCC[C@@H](C)C1 ZINC001300701561 1067061862 /nfs/dbraw/zinc/06/18/62/1067061862.db2.gz CTWAPQYJDZAFPM-QUCCMNQESA-N 1 2 451.571 4.333 20 0 JIADLO COc1cc[nH+]cc1Cn1c(CSc2ccccc2OC)nnc1N(C)Cc1c(C)noc1C ZINC001300702070 1067063476 /nfs/dbraw/zinc/06/34/76/1067063476.db2.gz NIOHMQYOZWWWHS-UHFFFAOYSA-N 1 2 480.594 4.272 20 0 JIADLO COc1cc[nH+]cc1Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCCO[C@@H](C)C1 ZINC001300702837 1067066095 /nfs/dbraw/zinc/06/60/95/1067066095.db2.gz WKOOAHYUJABVAJ-HNNXBMFYSA-N 1 2 478.380 4.231 20 0 JIADLO COc1cc[nH+]cc1Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCS[C@H](C)[C@H]1C ZINC001300702873 1067066962 /nfs/dbraw/zinc/06/69/62/1067066962.db2.gz XSQDDHHZJANKBI-RTBURBONSA-N 1 2 453.612 4.256 20 0 JIADLO CS[C@H]1CC[C@@H](N(C)C(=O)c2cccnc2N2CC[NH+](Cc3cccc(Cl)c3)CC2)C1 ZINC001354791643 1067099535 /nfs/dbraw/zinc/09/95/35/1067099535.db2.gz IZWAQTPDKGHQCS-RTWAWAEBSA-N 1 2 459.059 4.413 20 0 JIADLO Cc1csc(CCCNC(=O)c2cccnc2N2CC[NH+](Cc3cccc(Cl)c3)CC2)n1 ZINC001321414159 1067117253 /nfs/dbraw/zinc/11/72/53/1067117253.db2.gz IEWVQHBUHSAYHR-UHFFFAOYSA-N 1 2 470.042 4.185 20 0 JIADLO O=C(Nc1ccc(-n2cc[nH+]c2)c(Cl)c1)c1c(F)ccc(S(=O)(=O)CC2CC2)c1F ZINC001351766489 1067199817 /nfs/dbraw/zinc/19/98/17/1067199817.db2.gz NRUMXNXBHNLXPQ-UHFFFAOYSA-N 1 2 451.882 4.240 20 0 JIADLO Cc1ccccc1Cc1nnc(N(C)Cc2cn(C)nc2C(F)(F)F)n1CCCNc1cccc[nH+]1 ZINC001492578013 1067200877 /nfs/dbraw/zinc/20/08/77/1067200877.db2.gz UKUHXPDEVOODMY-UHFFFAOYSA-N 1 2 498.557 4.463 20 0 JIADLO O=C(NCCCCOc1ccccc1)NCc1cc[nH+]c(N2CCN(c3ccc(F)cc3)CC2)c1 ZINC001321724629 1067203933 /nfs/dbraw/zinc/20/39/33/1067203933.db2.gz GWCZMPXSGIEGOT-UHFFFAOYSA-N 1 2 477.584 4.206 20 0 JIADLO Cc1ccc(NC(=O)[C@H](c2ccccc2)[NH+]2CCSCC2)cc1I ZINC001351923799 1067244834 /nfs/dbraw/zinc/24/48/34/1067244834.db2.gz PZMQSRFSRQWGJM-SFHVURJKSA-N 1 2 452.361 4.328 20 0 JIADLO Fc1cc(Br)cc(Br)c1NC(=S)NCC[N@H+]1CCC[C@H](F)C1 ZINC001200808712 1067246403 /nfs/dbraw/zinc/24/64/03/1067246403.db2.gz OAOUFISZCKCBEY-JTQLQIEISA-N 1 2 457.182 4.071 20 0 JIADLO Fc1cc(Br)cc(Br)c1NC(=S)NCC[N@@H+]1CCC[C@H](F)C1 ZINC001200808712 1067246421 /nfs/dbraw/zinc/24/64/21/1067246421.db2.gz OAOUFISZCKCBEY-JTQLQIEISA-N 1 2 457.182 4.071 20 0 JIADLO CCCS(=O)(=O)Nc1cccc(NC(=O)N[C@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)c1 ZINC001200821874 1067295489 /nfs/dbraw/zinc/29/54/89/1067295489.db2.gz LSZSRBRWDYICAZ-JOCHJYFZSA-N 1 2 455.584 4.215 20 0 JIADLO CC(C)(C)OC(=O)N1CCC(CN(CCC[NH+]2CCOCC2)C(=S)Nc2ccccc2)CC1 ZINC001200835921 1067326277 /nfs/dbraw/zinc/32/62/77/1067326277.db2.gz DPXBHRLWELYZAZ-UHFFFAOYSA-N 1 2 476.687 4.055 20 0 JIADLO COc1ccc(-c2nnc(N(C)CCC(F)(F)F)n2C[C@@H]2CCCn3cc(C)[nH+]c32)c(OC)c1 ZINC001300012135 1067366152 /nfs/dbraw/zinc/36/61/52/1067366152.db2.gz RRSHGMUHXYPYAC-INIZCTEOSA-N 1 2 478.519 4.433 20 0 JIADLO C[C@@H](C(=O)N1CC[NH+](Cc2ccc(-c3ccc(Br)cc3)s2)CC1)n1cccn1 ZINC001355359950 1067433687 /nfs/dbraw/zinc/43/36/87/1067433687.db2.gz ARULTAUVYOHDKU-INIZCTEOSA-N 1 2 459.413 4.280 20 0 JIADLO C[C@H](CNC(=O)c1ccsc1NC(=O)c1ccc2c(c1)CCCC2)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001300038372 1067451798 /nfs/dbraw/zinc/45/17/98/1067451798.db2.gz GAHIYJQIZOMKBW-KURKYZTESA-N 1 2 455.624 4.107 20 0 JIADLO C[C@H](CNC(=O)c1ccsc1NC(=O)c1ccc2c(c1)CCCC2)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001300038372 1067451818 /nfs/dbraw/zinc/45/18/18/1067451818.db2.gz GAHIYJQIZOMKBW-KURKYZTESA-N 1 2 455.624 4.107 20 0 JIADLO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)c2ccc(OCC(=O)OC(C)(C)C)cc2)C[C@H](C)O1 ZINC001355707940 1067557509 /nfs/dbraw/zinc/55/75/09/1067557509.db2.gz LJWDIZTVTWMNSU-KDURUIRLSA-N 1 2 454.567 4.269 20 0 JIADLO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)c2ccc(OCC(=O)OC(C)(C)C)cc2)C[C@H](C)O1 ZINC001355707940 1067557523 /nfs/dbraw/zinc/55/75/23/1067557523.db2.gz LJWDIZTVTWMNSU-KDURUIRLSA-N 1 2 454.567 4.269 20 0 JIADLO CC(C)[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(S(=O)(=O)c2ccc(Br)cc2)cc1 ZINC001355743476 1067570265 /nfs/dbraw/zinc/57/02/65/1067570265.db2.gz GKIYMXUNQWMRKN-IBGZPJMESA-N 1 2 451.386 4.093 20 0 JIADLO CC(C)[N@H+]1CCC[C@H]1C(=O)Nc1ccc(S(=O)(=O)c2ccc(Br)cc2)cc1 ZINC001355743476 1067570284 /nfs/dbraw/zinc/57/02/84/1067570284.db2.gz GKIYMXUNQWMRKN-IBGZPJMESA-N 1 2 451.386 4.093 20 0 JIADLO COc1ccc(COCC(=O)N2CC[NH+](Cc3ccc(-c4ccccc4F)s3)CC2)cc1 ZINC001355906952 1067605781 /nfs/dbraw/zinc/60/57/81/1067605781.db2.gz NWPGDCAMDUWUTH-UHFFFAOYSA-N 1 2 454.567 4.424 20 0 JIADLO O=C(Nc1ccc(OCC(F)(F)C(F)F)nc1)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC001200137132 1067727958 /nfs/dbraw/zinc/72/79/58/1067727958.db2.gz XEGBDHIRDSSLRW-UHFFFAOYSA-N 1 2 455.456 4.305 20 0 JIADLO C[NH+]1CCN(C(=O)c2ccccc2NC(=O)c2sc(-c3ccccc3)nc2C(F)F)CC1 ZINC001352818680 1067741784 /nfs/dbraw/zinc/74/17/84/1067741784.db2.gz QENFIUHRLYMWEA-UHFFFAOYSA-N 1 2 456.518 4.388 20 0 JIADLO Cc1ccc(NC(=S)N2Cc3c[nH+]cn3C[C@@H](COCc3ccccn3)C2)c(Br)c1 ZINC001200144464 1067748836 /nfs/dbraw/zinc/74/88/36/1067748836.db2.gz KVGPCBOUOGUTKT-KRWDZBQOSA-N 1 2 486.439 4.395 20 0 JIADLO Cc1nc(C[N@@H+]2CCO[C@@H]3CN(C(=S)Nc4ccc(C)cc4Br)C[C@@H]3C2)cs1 ZINC001200149597 1067764745 /nfs/dbraw/zinc/76/47/45/1067764745.db2.gz YQWXZUFOONBION-HNAYVOBHSA-N 1 2 481.485 4.052 20 0 JIADLO Cc1nc(C[N@H+]2CCO[C@@H]3CN(C(=S)Nc4ccc(C)cc4Br)C[C@@H]3C2)cs1 ZINC001200149597 1067764765 /nfs/dbraw/zinc/76/47/65/1067764765.db2.gz YQWXZUFOONBION-HNAYVOBHSA-N 1 2 481.485 4.052 20 0 JIADLO CCN(CC)S(=O)(=O)c1ccc(C[NH2+]Cc2c(Cl)cc(Cl)cc2N(C)C)s1 ZINC001200152665 1067771935 /nfs/dbraw/zinc/77/19/35/1067771935.db2.gz ZGOAOJNZZJYDEQ-UHFFFAOYSA-N 1 2 450.457 4.441 20 0 JIADLO CC1(C)COCC[N@@H+]1CCNC(=O)Nc1nnc(SCc2c(Cl)cccc2Cl)s1 ZINC000480095616 1067802348 /nfs/dbraw/zinc/80/23/48/1067802348.db2.gz MPQJXEQVXCPBFP-UHFFFAOYSA-N 1 2 476.455 4.370 20 0 JIADLO CC1(C)COCC[N@H+]1CCNC(=O)Nc1nnc(SCc2c(Cl)cccc2Cl)s1 ZINC000480095616 1067802353 /nfs/dbraw/zinc/80/23/53/1067802353.db2.gz MPQJXEQVXCPBFP-UHFFFAOYSA-N 1 2 476.455 4.370 20 0 JIADLO COc1ccc(CCn2c(CC(C)(C)C)nnc2N2CCc3c(cc[nH+]c3N(C)C)C2)c(OC)c1 ZINC001300151624 1067807813 /nfs/dbraw/zinc/80/78/13/1067807813.db2.gz UZLOZWZTZTWMFM-UHFFFAOYSA-N 1 2 478.641 4.150 20 0 JIADLO COc1ccccc1NC(=O)c1ccc(NC(=O)[C@H](C)[N@H+](C)Cc2cc(Cl)cn2C)cc1 ZINC001473229790 1067807861 /nfs/dbraw/zinc/80/78/61/1067807861.db2.gz IZAGXUGVJHMULB-INIZCTEOSA-N 1 2 454.958 4.398 20 0 JIADLO COc1ccccc1NC(=O)c1ccc(NC(=O)[C@H](C)[N@@H+](C)Cc2cc(Cl)cn2C)cc1 ZINC001473229790 1067807863 /nfs/dbraw/zinc/80/78/63/1067807863.db2.gz IZAGXUGVJHMULB-INIZCTEOSA-N 1 2 454.958 4.398 20 0 JIADLO O=C(NCc1ccc(F)cc1F)c1cccnc1N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC001352966255 1067821543 /nfs/dbraw/zinc/82/15/43/1067821543.db2.gz RQQUIHBCKRXFAT-UHFFFAOYSA-N 1 2 456.924 4.265 20 0 JIADLO Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)[C@@H]2CC(=O)N(c3ccc(Cl)c(F)c3)C2)c(C)c1 ZINC001357329716 1067835082 /nfs/dbraw/zinc/83/50/82/1067835082.db2.gz GGCSOJDCPKQSGL-VGOFRKELSA-N 1 2 454.933 4.203 20 0 JIADLO Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)c2cnc(OC3CCOCC3)c(Cl)c2)c(C)c1 ZINC001357331425 1067835706 /nfs/dbraw/zinc/83/57/06/1067835706.db2.gz YIIIUUJYXVVADS-QFIPXVFZSA-N 1 2 454.958 4.277 20 0 JIADLO CC(C)N1C(=O)C[C@@H](C(=O)NCc2cc[nH+]c(N3CCCC3)c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001357611465 1067877167 /nfs/dbraw/zinc/87/71/67/1067877167.db2.gz MAFUIRIYKZBSAN-JPYJTQIMSA-N 1 2 458.965 4.089 20 0 JIADLO C[C@@H](c1cccc(NC(=O)N[C@H]2CCCN(c3ccccc3Cl)C2=O)c1)[NH+]1CCOCC1 ZINC001200234029 1067878428 /nfs/dbraw/zinc/87/84/28/1067878428.db2.gz YBHUJPONMZCEQI-UWJYYQICSA-N 1 2 456.974 4.050 20 0 JIADLO COc1ccc(Cl)c2c1CCC[C@H]2N(C)C(=O)C[N@@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC001300222610 1067893900 /nfs/dbraw/zinc/89/39/00/1067893900.db2.gz PKMIYQZAWOINND-HXUWFJFHSA-N 1 2 458.986 4.260 20 0 JIADLO COc1ccc(Cl)c2c1CCC[C@H]2N(C)C(=O)C[N@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC001300222610 1067893901 /nfs/dbraw/zinc/89/39/01/1067893901.db2.gz PKMIYQZAWOINND-HXUWFJFHSA-N 1 2 458.986 4.260 20 0 JIADLO COc1ccc(C[NH+]2CCN(c3nnc(C(C)(C)C)n3Cc3csc(C)c3)CC2)cc1F ZINC001300231295 1067913129 /nfs/dbraw/zinc/91/31/29/1067913129.db2.gz VNTHHDTXZNAPGK-UHFFFAOYSA-N 1 2 457.619 4.464 20 0 JIADLO COc1ccc(C[NH+]2CCN(c3nnc([C@@H]4CCCCO4)n3C[C@@H](OC)C(C)(C)C)CC2)cc1F ZINC001300231826 1067917043 /nfs/dbraw/zinc/91/70/43/1067917043.db2.gz BKSCCWJIXZTKPJ-XZOQPEGZSA-N 1 2 489.636 4.051 20 0 JIADLO COc1ccc(C[NH+]2CCN(c3nnc(CC(C)(C)C)n3C[C@H]3CCC[C@H]3OC)CC2)cc1F ZINC001300232321 1067918427 /nfs/dbraw/zinc/91/84/27/1067918427.db2.gz SIAPZPQBKFXQBI-IFMALSPDSA-N 1 2 473.637 4.152 20 0 JIADLO COc1ccc(F)cc1C[NH+]1CCN(c2nnc(Cc3csc(C)n3)n2CCC(C)C)CC1 ZINC001300247849 1067982230 /nfs/dbraw/zinc/98/22/30/1067982230.db2.gz QPSUXOCLXKNYCU-UHFFFAOYSA-N 1 2 472.634 4.150 20 0 JIADLO COc1ccc(F)cc1C[NH+]1CCN(c2nnc(CC(C)C)n2C[C@]2(C)CCCS2)CC1 ZINC001300248311 1067984123 /nfs/dbraw/zinc/98/41/23/1067984123.db2.gz ZHVXZPDCLPUROB-DEOSSOPVSA-N 1 2 461.651 4.232 20 0 JIADLO O=C(C[C@H]1CCC[C@H](C(F)(F)F)O1)N1CC[NH+](Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC001358124606 1068025936 /nfs/dbraw/zinc/02/59/36/1068025936.db2.gz RABDDFZEJANBFT-IAGOWNOFSA-N 1 2 454.411 4.120 20 0 JIADLO COc1ccc(/C=C(\C)C(=O)N2CC[NH+](Cc3ccc(OC(F)(F)F)cc3)CC2)cc1F ZINC001358124584 1068026167 /nfs/dbraw/zinc/02/61/67/1068026167.db2.gz QJDHDHDVUSWDAZ-DTQAZKPQSA-N 1 2 452.448 4.481 20 0 JIADLO COC(=O)c1ccc(C(=O)N2CC[NH+](Cc3ccc(-c4cccc(F)c4)s3)CC2)c(F)c1 ZINC001353338113 1068042040 /nfs/dbraw/zinc/04/20/40/1068042040.db2.gz CFEDTAWUTYVFRS-UHFFFAOYSA-N 1 2 456.514 4.438 20 0 JIADLO Cc1ccccc1-c1nnc(N2CC[C@H](CNC(=O)OC(C)(C)C)C2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001492564189 1068050876 /nfs/dbraw/zinc/05/08/76/1068050876.db2.gz ZPBSGJUGFVGEBU-OAQYLSRUSA-N 1 2 491.640 4.114 20 0 JIADLO COc1ccc(OCc2nnc(N3CCc4c(cc[nH+]c4N(C)C)C3)n2CC(C)(C)SC)cc1 ZINC001300285532 1068084680 /nfs/dbraw/zinc/08/46/80/1068084680.db2.gz WYQVIBVRPAASLU-UHFFFAOYSA-N 1 2 482.654 4.031 20 0 JIADLO COc1ccccc1Nc1nc2sc(C(=O)N3CCN(c4cccc[nH+]4)CC3)cc2s1 ZINC000612012380 1068269935 /nfs/dbraw/zinc/26/99/35/1068269935.db2.gz XVAPUILEHHNRNO-UHFFFAOYSA-N 1 2 451.577 4.467 20 0 JIADLO CC(C)(C)c1nnc(NC(=O)NCc2cc[nH+]c(N3CCN(c4ccc(F)cc4)CC3)c2)s1 ZINC000615566417 1068322206 /nfs/dbraw/zinc/32/22/06/1068322206.db2.gz AQJHNAFPIJDGLC-UHFFFAOYSA-N 1 2 469.590 4.018 20 0 JIADLO Cc1nc(NCc2cccc(C(=O)N3CCCN(C(=O)Nc4ccc(Cl)cc4)CC3)c2)cc[nH+]1 ZINC000622331878 1068360593 /nfs/dbraw/zinc/36/05/93/1068360593.db2.gz MXPGEVBHQNWNAB-UHFFFAOYSA-N 1 2 478.984 4.431 20 0 JIADLO Cc1nc(NCc2cccc(C(=O)N[C@H]3CCN(c4ccccc4OC(F)F)C3)c2)cc[nH+]1 ZINC000622377375 1068361506 /nfs/dbraw/zinc/36/15/06/1068361506.db2.gz KVOFUEPGXCTIDC-IBGZPJMESA-N 1 2 453.493 4.007 20 0 JIADLO Cc1nc(NCc2cccc(C(=O)N[C@@H]3CCN(c4ccccc4OC(F)F)C3)c2)cc[nH+]1 ZINC000622377376 1068361642 /nfs/dbraw/zinc/36/16/42/1068361642.db2.gz KVOFUEPGXCTIDC-LJQANCHMSA-N 1 2 453.493 4.007 20 0 JIADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)Nc1cccc(CS(=O)(=O)C(C)C)c1 ZINC001200393319 1068371135 /nfs/dbraw/zinc/37/11/35/1068371135.db2.gz JUOMTNOBWSIQID-UHFFFAOYSA-N 1 2 458.628 4.175 20 0 JIADLO CC(C)c1c(C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)cnn1-c1ccccc1Cl ZINC001353708873 1068493733 /nfs/dbraw/zinc/49/37/33/1068493733.db2.gz WLTDRLZFKYEGOL-HXUWFJFHSA-N 1 2 452.986 4.280 20 0 JIADLO CC(C)c1c(C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)cnn1-c1ccccc1Cl ZINC001353708873 1068493742 /nfs/dbraw/zinc/49/37/42/1068493742.db2.gz WLTDRLZFKYEGOL-HXUWFJFHSA-N 1 2 452.986 4.280 20 0 JIADLO C[C@H]1C[NH+](Cc2ccccc2NC(=O)NCCCNc2ccc(C(F)(F)F)cn2)C[C@H](C)O1 ZINC000503438271 1068630246 /nfs/dbraw/zinc/63/02/46/1068630246.db2.gz SGZDWNXWOYGPOA-IRXDYDNUSA-N 1 2 465.520 4.333 20 0 JIADLO COc1c(C)c[nH+]c(CN(C)C(=O)Nc2cccc(CS(=O)(=O)c3ccccc3)c2)c1C ZINC001200488243 1068726283 /nfs/dbraw/zinc/72/62/83/1068726283.db2.gz VKMFJXUJQWFHJR-UHFFFAOYSA-N 1 2 453.564 4.345 20 0 JIADLO COc1cc(NC(=S)N2CCC3(CC2)C[N@H+](Cc2ccoc2)CCO3)c(OC)cc1Cl ZINC001200535730 1068848268 /nfs/dbraw/zinc/84/82/68/1068848268.db2.gz UBJYJPLEWVTHKP-UHFFFAOYSA-N 1 2 466.003 4.014 20 0 JIADLO COc1cc(NC(=S)N2CCC3(CC2)C[N@@H+](Cc2ccoc2)CCO3)c(OC)cc1Cl ZINC001200535730 1068848270 /nfs/dbraw/zinc/84/82/70/1068848270.db2.gz UBJYJPLEWVTHKP-UHFFFAOYSA-N 1 2 466.003 4.014 20 0 JIADLO COc1cc(NC(=S)N2CC[NH+](CCCC(=O)c3ccc(F)cc3)CC2)c(OC)cc1Cl ZINC001200540262 1068855229 /nfs/dbraw/zinc/85/52/29/1068855229.db2.gz QSYBKCCWCUUGDJ-UHFFFAOYSA-N 1 2 480.005 4.474 20 0 JIADLO CCN(C[C@H]1C[N@H+](Cc2ccccc2)CCO1)C(=S)Nc1cc(OC)c(Cl)cc1OC ZINC001200540287 1068855762 /nfs/dbraw/zinc/85/57/62/1068855762.db2.gz RSOMITZJPUIOFV-GOSISDBHSA-N 1 2 464.031 4.277 20 0 JIADLO CCN(C[C@H]1C[N@@H+](Cc2ccccc2)CCO1)C(=S)Nc1cc(OC)c(Cl)cc1OC ZINC001200540287 1068855771 /nfs/dbraw/zinc/85/57/71/1068855771.db2.gz RSOMITZJPUIOFV-GOSISDBHSA-N 1 2 464.031 4.277 20 0 JIADLO C[C@H]1[C@H](c2ccc(Br)cc2)OCCN1C(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC001300507873 1068882907 /nfs/dbraw/zinc/88/29/07/1068882907.db2.gz LXEJWGAZSLBPLD-GAJHUEQPSA-N 1 2 454.368 4.225 20 0 JIADLO COc1ccccc1-c1nnc(N2CC[NH+](Cc3cnc(C)s3)CC2)n1CC(C)(C)SC ZINC001300512803 1068892543 /nfs/dbraw/zinc/89/25/43/1068892543.db2.gz HZCRJUGVJORIAF-UHFFFAOYSA-N 1 2 472.684 4.182 20 0 JIADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)c1cc(Br)c2nccnc2c1 ZINC001354463912 1069238969 /nfs/dbraw/zinc/23/89/69/1069238969.db2.gz BIRFKMOIJDGGJX-UHFFFAOYSA-N 1 2 454.372 4.166 20 0 JIADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)[C@@H]1CC(=O)N(C)[C@@H]1c1cccc(Cl)c1 ZINC001354465934 1069240606 /nfs/dbraw/zinc/24/06/06/1069240606.db2.gz SIKPFPKQBGNSDX-ZJSXRUAMSA-N 1 2 455.002 4.020 20 0 JIADLO FC(F)(c1nc(Cl)ncc1Cl)N1CCO[C@@H](c2[nH+]cn3c2cccc3Br)C1 ZINC001164420653 718889955 /nfs/dbraw/zinc/88/99/55/718889955.db2.gz VJWCVWSVZNVAAM-LLVKDONJSA-N 1 2 479.112 4.316 20 0 JIADLO C[C@@H]1C[N@H+](C)[C@@H](C)CN1C(F)(F)c1ccccc1S(=O)(=O)Nc1nc2ccccc2nc1Cl ZINC001164635338 719239012 /nfs/dbraw/zinc/23/90/12/719239012.db2.gz PRGBXKMVAOLKMD-LSDHHAIUSA-N 1 2 495.983 4.158 20 0 JIADLO C[C@@H]1C[N@@H+](C)[C@@H](C)CN1C(F)(F)c1ccccc1S(=O)(=O)Nc1nc2ccccc2nc1Cl ZINC001164635338 719239015 /nfs/dbraw/zinc/23/90/15/719239015.db2.gz PRGBXKMVAOLKMD-LSDHHAIUSA-N 1 2 495.983 4.158 20 0 JIADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nc(Cl)nc3nc(C)[nH]c31)CC2 ZINC001164663450 719348181 /nfs/dbraw/zinc/34/81/81/719348181.db2.gz HEHRJLNEOUGADS-UHFFFAOYSA-N 1 2 462.989 4.009 20 0 JIADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nc(Cl)nc3nc(C)[nH]c31)CC2 ZINC001164663450 719348184 /nfs/dbraw/zinc/34/81/84/719348184.db2.gz HEHRJLNEOUGADS-UHFFFAOYSA-N 1 2 462.989 4.009 20 0 JIADLO C=Cc1nc(Cl)nc(N2CCC3(CC2)c2ncc(-c4ccccc4)n2CC[N@H+]3CC)c1OC ZINC001164658982 719353013 /nfs/dbraw/zinc/35/30/13/719353013.db2.gz OJWPIWPIECYLGW-UHFFFAOYSA-N 1 2 465.001 4.476 20 0 JIADLO C=Cc1nc(Cl)nc(N2CCC3(CC2)c2ncc(-c4ccccc4)n2CC[N@@H+]3CC)c1OC ZINC001164658982 719353015 /nfs/dbraw/zinc/35/30/15/719353015.db2.gz OJWPIWPIECYLGW-UHFFFAOYSA-N 1 2 465.001 4.476 20 0 JIADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ccc(N3CCC(C)CC3)nn1)CC2 ZINC001164660667 719353703 /nfs/dbraw/zinc/35/37/03/719353703.db2.gz WTRZCASNKDEXPC-UHFFFAOYSA-N 1 2 471.653 4.408 20 0 JIADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ccc(N3CCC(C)CC3)nn1)CC2 ZINC001164660667 719353707 /nfs/dbraw/zinc/35/37/07/719353707.db2.gz WTRZCASNKDEXPC-UHFFFAOYSA-N 1 2 471.653 4.408 20 0 JIADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ncnc3c(OC)cc(OC)cc31)CC2 ZINC001164663877 719355946 /nfs/dbraw/zinc/35/59/46/719355946.db2.gz IDSDWQNPUICNMO-UHFFFAOYSA-N 1 2 484.604 4.342 20 0 JIADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ncnc3c(OC)cc(OC)cc31)CC2 ZINC001164663877 719355949 /nfs/dbraw/zinc/35/59/49/719355949.db2.gz IDSDWQNPUICNMO-UHFFFAOYSA-N 1 2 484.604 4.342 20 0 JIADLO CCOC(=O)c1cc(N2CCC3(CC2)COCC[N@@H+]3Cc2ccc(F)cc2)nc2ccccc21 ZINC001164674542 719505865 /nfs/dbraw/zinc/50/58/65/719505865.db2.gz ZGYFGFDBCLJJCD-UHFFFAOYSA-N 1 2 463.553 4.422 20 0 JIADLO CCOC(=O)c1cc(N2CCC3(CC2)COCC[N@H+]3Cc2ccc(F)cc2)nc2ccccc21 ZINC001164674542 719505875 /nfs/dbraw/zinc/50/58/75/719505875.db2.gz ZGYFGFDBCLJJCD-UHFFFAOYSA-N 1 2 463.553 4.422 20 0 JIADLO CCN(CC)C(=O)c1cc(Cl)nc(N2CCC3(CC2)COCC[N@@H+]3Cc2ccc(F)cc2)c1 ZINC001164670253 719511948 /nfs/dbraw/zinc/51/19/48/719511948.db2.gz CERSRKRKJGJREU-UHFFFAOYSA-N 1 2 475.008 4.228 20 0 JIADLO CCN(CC)C(=O)c1cc(Cl)nc(N2CCC3(CC2)COCC[N@H+]3Cc2ccc(F)cc2)c1 ZINC001164670253 719511957 /nfs/dbraw/zinc/51/19/57/719511957.db2.gz CERSRKRKJGJREU-UHFFFAOYSA-N 1 2 475.008 4.228 20 0 JIADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nc(-c2ccccc2)cc(-c2ccccc2)n1 ZINC001164706565 719847552 /nfs/dbraw/zinc/84/75/52/719847552.db2.gz XREQMKMGCYGAOQ-LXFBAYGMSA-N 1 2 472.589 4.043 20 0 JIADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1cc(C)nc(-c2ccc(-c3ccccc3)cc2)n1 ZINC001164708015 719873848 /nfs/dbraw/zinc/87/38/48/719873848.db2.gz XFSLPYOJLVDLHV-VAVYLYDRSA-N 1 2 486.616 4.352 20 0 JIADLO CC(=O)NC[C@H]1c2[nH+]cn(C(C)C)c2CCN1C(F)(F)c1nc(Cl)c2cc(Cl)ccc2n1 ZINC001164726448 720312206 /nfs/dbraw/zinc/31/22/06/720312206.db2.gz ZDPLTQZPQDDEQB-KRWDZBQOSA-N 1 2 483.350 4.499 20 0 JIADLO CC(=O)NC[C@H]1c2[nH+]cn(C(C)C)c2CCN1C(F)(F)c1cnc(Cl)c(-c2ccncc2)c1 ZINC001164721521 720315898 /nfs/dbraw/zinc/31/58/98/720315898.db2.gz HJZFYOFUVFSHRV-FQEVSTJZSA-N 1 2 474.943 4.359 20 0 JIADLO CC(=O)NC[C@H]1c2[nH+]cn(C(C)C)c2CCN1C(F)(F)c1cc(-c2ccccc2)nnc1Cl ZINC001164726155 720316717 /nfs/dbraw/zinc/31/67/17/720316717.db2.gz YFKQIZAQYGZJCA-FQEVSTJZSA-N 1 2 474.943 4.359 20 0 JIADLO FC(F)(c1ccc2nc(Cl)cc(Cl)c2c1)N1CCCn2nnc(Cn3cc[nH+]c3)c2C1 ZINC001164831113 720398209 /nfs/dbraw/zinc/39/82/09/720398209.db2.gz VMGKCEZEWXKNAP-UHFFFAOYSA-N 1 2 464.307 4.333 20 0 JIADLO CCOC(=O)c1sc2nc(C[NH+]3CCCCC3)nc(N3CC[C@H](O)[C@@H]3Cc3ccccc3)c2c1C ZINC001164833534 720492321 /nfs/dbraw/zinc/49/23/21/720492321.db2.gz PRKHUUAACAHFJT-SFTDATJTSA-N 1 2 494.661 4.345 20 0 JIADLO COc1cccc(-c2cc(C(F)(F)N3C[C@@H]4C[NH+](Cc5nccs5)C[C@H]4C3)c(Cl)nn2)c1 ZINC001164788201 721438944 /nfs/dbraw/zinc/43/89/44/721438944.db2.gz ZTDXXDJKJPHSJW-HOTGVXAUSA-N 1 2 477.968 4.375 20 0 JIADLO CNC(=O)N[C@H]1CC2(CCN(c3ncnc4c3C[N@H+](Cc3ccccc3)CC4)CC2)c2ccc(C)cc21 ZINC001164900607 721491596 /nfs/dbraw/zinc/49/15/96/721491596.db2.gz QRBPBCMNLFUFIN-MHZLTWQESA-N 1 2 496.659 4.255 20 0 JIADLO CNC(=O)N[C@H]1CC2(CCN(c3ncnc4c3C[N@@H+](Cc3ccccc3)CC4)CC2)c2ccc(C)cc21 ZINC001164900607 721491599 /nfs/dbraw/zinc/49/15/99/721491599.db2.gz QRBPBCMNLFUFIN-MHZLTWQESA-N 1 2 496.659 4.255 20 0 JIADLO CCc1ccc(Oc2nc(Cl)ncc2N2CCCn3c(C[N@H+](C)C(C)C)nnc3C2)cc1 ZINC001165009885 721720833 /nfs/dbraw/zinc/72/08/33/721720833.db2.gz BFHJDJLAWOWJPC-UHFFFAOYSA-N 1 2 455.994 4.327 20 0 JIADLO CCc1ccc(Oc2nc(Cl)ncc2N2CCCn3c(C[N@@H+](C)C(C)C)nnc3C2)cc1 ZINC001165009885 721720838 /nfs/dbraw/zinc/72/08/38/721720838.db2.gz BFHJDJLAWOWJPC-UHFFFAOYSA-N 1 2 455.994 4.327 20 0 JIADLO CCc1cccc(Oc2nc(Cl)ncc2N2CCCn3c(C[N@H+](C)C(C)C)nnc3C2)c1 ZINC001165011734 721720981 /nfs/dbraw/zinc/72/09/81/721720981.db2.gz STDOXORVJYXENM-UHFFFAOYSA-N 1 2 455.994 4.327 20 0 JIADLO CCc1cccc(Oc2nc(Cl)ncc2N2CCCn3c(C[N@@H+](C)C(C)C)nnc3C2)c1 ZINC001165011734 721720991 /nfs/dbraw/zinc/72/09/91/721720991.db2.gz STDOXORVJYXENM-UHFFFAOYSA-N 1 2 455.994 4.327 20 0 JIADLO CCOC(=O)c1sc2nc(C[NH+]3CCCCC3)nc(N3CCC(F)(C(=O)OCC)CC3)c2c1C ZINC001165018471 721834827 /nfs/dbraw/zinc/83/48/27/721834827.db2.gz RFNVKIGLOFZUTM-UHFFFAOYSA-N 1 2 492.617 4.034 20 0 JIADLO CC(C)(C)OC(=O)Nc1ccc(F)c(NC(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)c1 ZINC001200701344 1069324163 /nfs/dbraw/zinc/32/41/63/1069324163.db2.gz ZVAGVLSKUQMXFX-LJQANCHMSA-N 1 2 458.534 4.195 20 0 JIADLO CC(C)(C)OC(=O)Nc1ccc(F)c(NC(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)c1 ZINC001200701344 1069324176 /nfs/dbraw/zinc/32/41/76/1069324176.db2.gz ZVAGVLSKUQMXFX-LJQANCHMSA-N 1 2 458.534 4.195 20 0 JIADLO COc1ccccc1SCc1nnc(N2CC[C@@H](CC(C)C)C2)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001300672147 1069408673 /nfs/dbraw/zinc/40/86/73/1069408673.db2.gz FSTXUVGGLBWCPN-SFTDATJTSA-N 1 2 473.687 4.172 20 0 JIADLO COc1ccccc1SCc1nnc(N2CC[C@@H](CC(C)C)C2)n1CC[N@H+]1CCOC[C@@H]1C ZINC001300672147 1069408701 /nfs/dbraw/zinc/40/87/01/1069408701.db2.gz FSTXUVGGLBWCPN-SFTDATJTSA-N 1 2 473.687 4.172 20 0 JIADLO COc1ccccc1SCc1nnc(N2CCN(c3cc[nH+]c(C)n3)CC2)n1CCC=C(C)C ZINC001300677896 1069434133 /nfs/dbraw/zinc/43/41/33/1069434133.db2.gz WICKNGOCOLXISC-UHFFFAOYSA-N 1 2 479.654 4.360 20 0 JIADLO CC(C)(C)C(=O)NC[C@@H]1CCCN(c2nnc(Cc3ccsc3)n2CCCNc2cccc[nH+]2)C1 ZINC001359491493 1069705926 /nfs/dbraw/zinc/70/59/26/1069705926.db2.gz PVXKCEMLQYIPBJ-NRFANRHFSA-N 1 2 495.697 4.206 20 0 JIADLO CC(C)(C)Cc1nnc(N2CCC(NC(=O)c3ccc(F)cc3)CC2)n1CCCNc1cccc[nH+]1 ZINC001359530709 1069822497 /nfs/dbraw/zinc/82/24/97/1069822497.db2.gz NFXURZPURHXUTR-UHFFFAOYSA-N 1 2 493.631 4.302 20 0 JIADLO CC(C)c1nnc(N(C)C[C@H](c2cccs2)[NH+]2CCOCC2)n1C[C@@](C)(O)c1ccc(F)cc1 ZINC001359679644 1070335167 /nfs/dbraw/zinc/33/51/67/1070335167.db2.gz OROZYQPVFGTDNG-PXDATVDWSA-N 1 2 487.645 4.020 20 0 JIADLO CC(C)c1nnc(N2C[C@H](C)[C@H](NC(=O)OC(C)(C)C)C2)n1C[C@@H](c1c(F)cccc1F)[NH+](C)C ZINC001359690029 1070346293 /nfs/dbraw/zinc/34/62/93/1070346293.db2.gz XSWIAQCFMZRRST-DBVUQKKJSA-N 1 2 492.615 4.332 20 0 JIADLO CC(C)c1nnc(N2CCC([C@](C)(O)C(F)(F)F)CC2)n1Cc1cccc(Cn2cc[nH+]c2)c1 ZINC001359691899 1070349807 /nfs/dbraw/zinc/34/98/07/1070349807.db2.gz BCAIBXWTBMATLC-QHCPKHFHSA-N 1 2 476.547 4.224 20 0 JIADLO CC(C)c1nnc(N2CC[C@@H](CNC(=O)OC(C)(C)C)C2)n1C[C@H](c1c(F)cccc1F)[NH+](C)C ZINC001359697056 1070356726 /nfs/dbraw/zinc/35/67/26/1070356726.db2.gz GPWPLADLFUKSGT-FXAWDEMLSA-N 1 2 492.615 4.334 20 0 JIADLO COc1ccc(C[NH+]2CCN(c3nnc(C(C)(C)C)n3C[C@]3(C)CCCS3)CC2)cc1F ZINC001315505242 1064418579 /nfs/dbraw/zinc/41/85/79/1064418579.db2.gz POSPHFMAWZLJEL-DEOSSOPVSA-N 1 2 461.651 4.331 20 0 JIADLO COc1ccc(F)cc1C[NH+]1CCN(c2nnc(C(C)C)n2C[C@H](C)c2nc(C)cs2)CC1 ZINC001315514989 1064460762 /nfs/dbraw/zinc/46/07/62/1064460762.db2.gz AZOPPCSQPNKJHO-KRWDZBQOSA-N 1 2 472.634 4.440 20 0 JIADLO COc1ccc(F)cc1C[NH+]1CCN(c2nnc(C3CCCC3)n2CCCOC(F)F)CC1 ZINC001315515539 1064462419 /nfs/dbraw/zinc/46/24/19/1064462419.db2.gz PIUWVNDSKGNFOL-UHFFFAOYSA-N 1 2 467.536 4.035 20 0 JIADLO COc1ccc(F)cc1C[NH+]1CCN(c2nnc(C(C)(C)C)n2CCSCC(F)(F)F)CC1 ZINC001315515918 1064464207 /nfs/dbraw/zinc/46/42/07/1064464207.db2.gz WCQQPOHVYBMIMI-UHFFFAOYSA-N 1 2 489.583 4.341 20 0 JIADLO COc1ccc(OCc2nnc(N(C)Cc3cc(C)cs3)n2Cc2ccc(N(C)C)[nH+]c2)cc1 ZINC001315527464 1064504691 /nfs/dbraw/zinc/50/46/91/1064504691.db2.gz VRJQKCLHJFKFAD-UHFFFAOYSA-N 1 2 478.622 4.381 20 0 JIADLO COc1cccc(-c2nnc(N3CC[NH+](Cc4cc(C)no4)CC3)n2C[C@H](SC)C(C)(C)C)c1 ZINC001315562378 1064589111 /nfs/dbraw/zinc/58/91/11/1064589111.db2.gz DQRXECNEBAXPKY-QFIPXVFZSA-N 1 2 484.670 4.350 20 0 JIADLO COc1ccccc1OCc1nnc(N2CCS[C@@H](C)[C@@H]2C)n1CCCNc1cccc[nH+]1 ZINC001315660141 1064856205 /nfs/dbraw/zinc/85/62/05/1064856205.db2.gz ZKLOTYPBHOHQEC-OALUTQOASA-N 1 2 468.627 4.093 20 0 JIADLO COc1cc[nH+]cc1Cn1c(-c2ccc(Cl)cc2Cl)nnc1N(C)Cc1cnn(C)c1 ZINC001315669016 1064894705 /nfs/dbraw/zinc/89/47/05/1064894705.db2.gz GNPHVLVNJDYAEY-UHFFFAOYSA-N 1 2 458.353 4.074 20 0 JIADLO COc1cc[nH+]cc1Cn1c(-c2ccc(C)c(Br)c2)nnc1N1CC[C@H](C)[C@H](OC)C1 ZINC001315669441 1064896785 /nfs/dbraw/zinc/89/67/85/1064896785.db2.gz KZUDGJMXWFJVMX-HRAATJIYSA-N 1 2 486.414 4.329 20 0 JIADLO COc1cc[nH+]cc1Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@H](C(C)(C)C)C1 ZINC001315670964 1064900489 /nfs/dbraw/zinc/90/04/89/1064900489.db2.gz YYFWFZDPDVDGHG-FQEVSTJZSA-N 1 2 462.598 4.472 20 0 JIADLO COc1cc[nH+]cc1Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC[C@@H](C)C1 ZINC001315672981 1064905199 /nfs/dbraw/zinc/90/51/99/1064905199.db2.gz VXBYTFATVVHLMP-RTBURBONSA-N 1 2 470.618 4.081 20 0 JIADLO COc1cc[nH+]cc1Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)CCC(F)(F)F ZINC001315673144 1064905295 /nfs/dbraw/zinc/90/52/95/1064905295.db2.gz XUERWJSIMVKFRR-MRXNPFEDSA-N 1 2 498.550 4.233 20 0 JIADLO COc1cc[nH+]cc1Cn1c(N(C)C[C@@H](C)c2ccccc2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001315673265 1064905782 /nfs/dbraw/zinc/90/57/82/1064905782.db2.gz XBTWUQIRZGSCRY-IBVKSMDESA-N 1 2 465.598 4.011 20 0 JIADLO CO[C@@H]1CCCN(c2nnc([C@H](C)Oc3c(C)cc(Cl)cc3C)n2C[C@@H](C)[NH+]2CCOCC2)C1 ZINC001315688283 1064941522 /nfs/dbraw/zinc/94/15/22/1064941522.db2.gz CGYXZLFSVGSPBE-RZUBCFFCSA-N 1 2 492.064 4.024 20 0 JIADLO CO[C@@H]1CN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2Cc2ccc(N(C)C)[nH+]c2)CC[C@@H]1C ZINC001315711276 1064987847 /nfs/dbraw/zinc/98/78/47/1064987847.db2.gz APNIXZODMKGTSI-ZCVJKFOLSA-N 1 2 478.641 4.405 20 0 JIADLO CO[C@@H]1CN(c2nnc(-c3cc(Br)cn3C)n2CCCc2cccc(C)[nH+]2)CC[C@H]1C ZINC001315711346 1064988776 /nfs/dbraw/zinc/98/87/76/1064988776.db2.gz CASSYQFRYKLMBV-IIBYNOLFSA-N 1 2 487.446 4.244 20 0 JIADLO COCC1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2CC(C)(C)[NH+]2CCOCC2)CC1 ZINC001315906843 1065392197 /nfs/dbraw/zinc/39/21/97/1065392197.db2.gz QKASGGBVYWLSNM-LJQANCHMSA-N 1 2 492.064 4.045 20 0 JIADLO COCCC1(Cn2c(C)nnc2N2CC[NH+](CCOc3ccccc3Cl)CC2)CCCCC1 ZINC001315980701 1065542733 /nfs/dbraw/zinc/54/27/33/1065542733.db2.gz VENYUFABVZRCMM-UHFFFAOYSA-N 1 2 476.065 4.428 20 0 JIADLO COCC[C@@H]1CCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2CC(C)(C)[NH+]2CCOCC2)C1 ZINC001315991989 1065565869 /nfs/dbraw/zinc/56/58/69/1065565869.db2.gz MLJCWXHZZHEMKY-PKTZIBPZSA-N 1 2 485.673 4.009 20 0 JIADLO COCCCN(C)c1nnc(-c2ccc(Br)s2)n1CCc1cn2ccccc2[nH+]1 ZINC001316021264 1065623150 /nfs/dbraw/zinc/62/31/50/1065623150.db2.gz BACNZBXUZLBFCQ-UHFFFAOYSA-N 1 2 475.416 4.132 20 0 JIADLO COCCCN(C)c1nnc(Cc2ccc(Cl)cc2)n1Cc1ccc(N2CCCC2)[nH+]c1 ZINC001316027312 1065637569 /nfs/dbraw/zinc/63/75/69/1065637569.db2.gz VXMZGBHGNPCJML-UHFFFAOYSA-N 1 2 455.006 4.039 20 0 JIADLO COCCOC1CCN(c2nnc(-c3ccccc3F)n2CCCc2cccc(C)[nH+]2)CC1 ZINC001316243901 1065985822 /nfs/dbraw/zinc/98/58/22/1065985822.db2.gz AMGBJTYHFHFKQX-UHFFFAOYSA-N 1 2 453.562 4.052 20 0 JIADLO CO[C@H]1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2CCCNc2cccc[nH+]2)C1 ZINC001316322117 1066077500 /nfs/dbraw/zinc/07/75/00/1066077500.db2.gz LDXFHZWEHVPUTL-SFTDATJTSA-N 1 2 450.587 4.157 20 0 JIADLO CS[C@@H](C)Cn1c(-c2ccc(C)o2)nnc1N(C)C[C@H](c1cccs1)[NH+]1CCOCC1 ZINC001316376625 1066139388 /nfs/dbraw/zinc/13/93/88/1066139388.db2.gz SBIKRHJRYWJBOK-ZWKOTPCHSA-N 1 2 461.657 4.169 20 0 JIADLO CS[C@@H](C)Cn1c(-c2cccc(Cl)c2)nnc1N1CC[NH+](Cc2cnc(C)s2)CC1 ZINC001316377672 1066143294 /nfs/dbraw/zinc/14/32/94/1066143294.db2.gz PLWIGRDTULLKQA-HNNXBMFYSA-N 1 2 463.076 4.437 20 0 JIADLO CS[C@@H](C)Cn1c(Cc2ccccc2C)nnc1N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC001316381620 1066149761 /nfs/dbraw/zinc/14/97/61/1066149761.db2.gz GNAZPIFFMCCWFL-NRFANRHFSA-N 1 2 479.698 4.477 20 0 JIADLO Cn1nc(C(C)(C)C)cc1NC(=O)c1cccnc1N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC001324502869 1066221211 /nfs/dbraw/zinc/22/12/11/1066221211.db2.gz RUSHUGKXYGRQTE-UHFFFAOYSA-N 1 2 467.017 4.341 20 0 JIADLO CCC[N@@H+]1CCCC[C@@H]1C(=O)Nc1ccc(Cl)c(S(=O)(=O)Nc2ccc(OC)cc2)c1 ZINC001324718322 1066228129 /nfs/dbraw/zinc/22/81/29/1066228129.db2.gz QIODXZMWVUKNHJ-HXUWFJFHSA-N 1 2 466.003 4.352 20 0 JIADLO CCC[N@H+]1CCCC[C@@H]1C(=O)Nc1ccc(Cl)c(S(=O)(=O)Nc2ccc(OC)cc2)c1 ZINC001324718322 1066228140 /nfs/dbraw/zinc/22/81/40/1066228140.db2.gz QIODXZMWVUKNHJ-HXUWFJFHSA-N 1 2 466.003 4.352 20 0 JIADLO CSc1ccccc1CN(C)c1nnc([C@H]2CCCOC2)n1CCCNc1cccc[nH+]1 ZINC001316425780 1066244222 /nfs/dbraw/zinc/24/42/22/1066244222.db2.gz TUMUWWVZLXGJNE-FQEVSTJZSA-N 1 2 452.628 4.428 20 0 JIADLO CSCc1cccc(Cn2c(N3CC[NH+](Cc4cc(C)no4)CC3)nnc2C(C)(C)C)c1 ZINC001316432675 1066276053 /nfs/dbraw/zinc/27/60/53/1066276053.db2.gz LEJMIGLWNQNTAI-UHFFFAOYSA-N 1 2 454.644 4.106 20 0 JIADLO CSC[C@@H]1CCCN1c1nnc(CSc2ccc(Cl)cc2)n1C[C@H](C)[NH+]1CCOCC1 ZINC001316442195 1066303674 /nfs/dbraw/zinc/30/36/74/1066303674.db2.gz JTQASHMXKYHXRV-HKUYNNGSSA-N 1 2 482.119 4.276 20 0 JIADLO CSCC[C@@H](C)N(C)c1nnc(-c2ccc(C)o2)n1C[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC001316444201 1066310748 /nfs/dbraw/zinc/31/07/48/1066310748.db2.gz KWUHLSAYLUQDBV-DENIHFKCSA-N 1 2 469.655 4.498 20 0 JIADLO CSCC[C@@H](C)N(C)c1nnc(CC2CCCC2)n1Cc1ccc(N2CCO[C@@H](C)C2)[nH+]c1 ZINC001316448200 1066323040 /nfs/dbraw/zinc/32/30/40/1066323040.db2.gz APYJUFAKIRJRDO-UXHICEINSA-N 1 2 472.703 4.257 20 0 JIADLO CSCC[C@@H](C)N(C)c1nnc(Cc2ccccn2)n1Cc1cc[nH+]c(N2CCCCC2)c1 ZINC001316452696 1066336100 /nfs/dbraw/zinc/33/61/00/1066336100.db2.gz XYEYNKRZOMXHJM-HXUWFJFHSA-N 1 2 465.671 4.275 20 0 JIADLO CC(C)c1ccc(C[NH+]2CCN(C(=O)c3ccc(NC(=O)c4ccc(=O)[nH]c4)cc3)CC2)cc1 ZINC001330713810 1066352311 /nfs/dbraw/zinc/35/23/11/1066352311.db2.gz MFGWUYJABFYJGO-UHFFFAOYSA-N 1 2 458.562 4.121 20 0 JIADLO CSCCCN(C)c1nnc(-c2ccccn2)n1Cc1ccc(N2CCC(C)CC2)[nH+]c1 ZINC001316469610 1066374610 /nfs/dbraw/zinc/37/46/10/1066374610.db2.gz VAGRBLPLSWGKSU-UHFFFAOYSA-N 1 2 451.644 4.209 20 0 JIADLO CC[NH+](CC)Cc1csc(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCCCC3)c2)n1 ZINC001332877490 1066380727 /nfs/dbraw/zinc/38/07/27/1066380727.db2.gz PTFBWJJWSXALPP-UHFFFAOYSA-N 1 2 485.075 4.455 20 0 JIADLO CC[NH+](CC)Cc1csc(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCCC3)c2)n1 ZINC001333301183 1066387266 /nfs/dbraw/zinc/38/72/66/1066387266.db2.gz BTXXHSZZCUZRKH-UHFFFAOYSA-N 1 2 471.048 4.065 20 0 JIADLO CC[NH+](CC)Cc1csc(NC(=O)c2cccc(S(=O)(=O)N3CCCc4ccccc43)c2)n1 ZINC001334538950 1066396454 /nfs/dbraw/zinc/39/64/54/1066396454.db2.gz UQQFRIFLGVGWMC-UHFFFAOYSA-N 1 2 484.647 4.379 20 0 JIADLO CC[NH+](CC)Cc1csc(NC(=O)C2CCN(S(=O)(=O)c3ccc(C(C)(C)C)cc3)CC2)n1 ZINC001334538163 1066396551 /nfs/dbraw/zinc/39/65/51/1066396551.db2.gz NPCKIEXCRFBMLQ-UHFFFAOYSA-N 1 2 492.711 4.322 20 0 JIADLO Cc1cccc(CCCn2c(C(=O)N3CCCC3)nnc2N(C)[C@@H](C)c2ccc(F)c(F)c2)[nH+]1 ZINC001492525300 1066404651 /nfs/dbraw/zinc/40/46/51/1066404651.db2.gz PMNONEOVOCQXAC-SFHVURJKSA-N 1 2 468.552 4.326 20 0 JIADLO C[C@@H]1CN(c2nnc(-c3ccccc3F)n2Cc2ccc(N(C)C)[nH+]c2)CCN1C(=O)OC(C)(C)C ZINC001316487395 1066410654 /nfs/dbraw/zinc/41/06/54/1066410654.db2.gz OGUHLPCVMUQUDX-GOSISDBHSA-N 1 2 495.603 4.039 20 0 JIADLO Cc1cccc(CCCn2c(-c3ccccn3)nnc2N2CC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)[nH+]1 ZINC001492525809 1066411542 /nfs/dbraw/zinc/41/15/42/1066411542.db2.gz IJJQRGWKKBOVIG-NHCUHLMSSA-N 1 2 491.640 4.416 20 0 JIADLO Cc1cccc(CCCn2c(COc3ccc(F)cc3)nnc2N2CCC[C@@H](NC(=O)C(C)C)C2)[nH+]1 ZINC001492527403 1066421179 /nfs/dbraw/zinc/42/11/79/1066421179.db2.gz GPEOJJPYVYNIDO-HSZRJFAPSA-N 1 2 494.615 4.073 20 0 JIADLO Cc1cccc(CCCn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCO[C@@H](C(C)C)C2)[nH+]1 ZINC001492527941 1066428546 /nfs/dbraw/zinc/42/85/46/1066428546.db2.gz YWOYJLPNJYDYLP-DNVJHFABSA-N 1 2 455.647 4.394 20 0 JIADLO FC(F)(F)SCCn1c(Cc2cccnc2)nnc1N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC001316517514 1066517961 /nfs/dbraw/zinc/51/79/61/1066517961.db2.gz RCSJJKGABYAORO-UHFFFAOYSA-N 1 2 496.990 4.493 20 0 JIADLO Fc1ccc(OCc2nnc(N3CCN(c4cccc[nH+]4)CC3)n2CCSCC(F)(F)F)cc1 ZINC001316524661 1066537038 /nfs/dbraw/zinc/53/70/38/1066537038.db2.gz KXMUMNFYPRTFDS-UHFFFAOYSA-N 1 2 496.534 4.013 20 0 JIADLO CCCCn1c2nn(C[N@@H+]3CCCN4c5ccccc5C[C@@H]4C3)c(=S)n2c2ccccc2c1=O ZINC001338407465 1066553175 /nfs/dbraw/zinc/55/31/75/1066553175.db2.gz VAMNAUJSAJKFOE-HXUWFJFHSA-N 1 2 474.634 4.075 20 0 JIADLO CCCCn1c2nn(C[N@H+]3CCCN4c5ccccc5C[C@@H]4C3)c(=S)n2c2ccccc2c1=O ZINC001338407465 1066553188 /nfs/dbraw/zinc/55/31/88/1066553188.db2.gz VAMNAUJSAJKFOE-HXUWFJFHSA-N 1 2 474.634 4.075 20 0 JIADLO O=C(Nc1ccc2nc(C[NH+]3CCCCC3)[nH]c2c1)[C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC001338428630 1066553813 /nfs/dbraw/zinc/55/38/13/1066553813.db2.gz CIPKZGUWUQHKDC-IBGZPJMESA-N 1 2 496.409 4.303 20 0 JIADLO Cc1ccc(-c2noc(CCC[NH+]3CCN(C(=O)c4ccc(Cn5cccc5)cc4)CC3)n2)cc1 ZINC001338603583 1066565633 /nfs/dbraw/zinc/56/56/33/1066565633.db2.gz CAEKQNGKARSEQP-UHFFFAOYSA-N 1 2 469.589 4.285 20 0 JIADLO Cc1cc(CN(C)c2nnc(CC(C)(C)C)n2C[C@@H](c2cccc(C)c2)[NH+]2CCOCC2)no1 ZINC001492480499 1066626445 /nfs/dbraw/zinc/62/64/45/1066626445.db2.gz MADVZJFFTOKKSX-QHCPKHFHSA-N 1 2 466.630 4.181 20 0 JIADLO Cc1cccc([C@@H](Cn2c(CC(C)C)nnc2N2CCC(OC(C)C)CC2)[NH+]2CCOCC2)c1 ZINC001492480807 1066626548 /nfs/dbraw/zinc/62/65/48/1066626548.db2.gz PHTDYJPATDSXTF-RUZDIDTESA-N 1 2 469.674 4.252 20 0 JIADLO Cc1cc(NC(=O)CSCC(=O)O[C@@H](Cn2cc[nH+]c2)c2ccc(Cl)cc2Cl)no1 ZINC001344507504 1066629776 /nfs/dbraw/zinc/62/97/76/1066629776.db2.gz PCNWOFYDUBHDFJ-INIZCTEOSA-N 1 2 469.350 4.143 20 0 JIADLO CCN(CC)S(=O)(=O)c1cccc(-c2nn(C[N@@H+]3CC[C@@H]4CCCC[C@H]4C3)c(=S)n2C)c1 ZINC001317700904 1066635902 /nfs/dbraw/zinc/63/59/02/1066635902.db2.gz WBYJCUOHIQOOSR-ICSRJNTNSA-N 1 2 477.700 4.118 20 0 JIADLO CCN(CC)S(=O)(=O)c1cccc(-c2nn(C[N@H+]3CC[C@@H]4CCCC[C@H]4C3)c(=S)n2C)c1 ZINC001317700904 1066635912 /nfs/dbraw/zinc/63/59/12/1066635912.db2.gz WBYJCUOHIQOOSR-ICSRJNTNSA-N 1 2 477.700 4.118 20 0 JIADLO C[C@@]1(c2ccc(C(F)(F)F)cc2)NC(=O)N(C[NH+]2CCC(c3nc4ccccc4o3)CC2)C1=O ZINC001317889027 1066758457 /nfs/dbraw/zinc/75/84/57/1066758457.db2.gz FOVJBQAZZCZKSA-QHCPKHFHSA-N 1 2 472.467 4.451 20 0 JIADLO Cn1c(C(=O)O[C@@H](Cn2cc[nH+]c2)c2ccc(Cl)cc2Cl)cc2c1nc1ccccn1c2=O ZINC001348704659 1066772074 /nfs/dbraw/zinc/77/20/74/1066772074.db2.gz QVEXDDQBYCJNLF-IBGZPJMESA-N 1 2 482.327 4.288 20 0 JIADLO O=C(NCc1cc[nH+]c(N2CCCCC2)c1)c1nn(-c2ccccc2F)cc1Br ZINC001317914531 1066783033 /nfs/dbraw/zinc/78/30/33/1066783033.db2.gz PCXCXOLUGLULNX-UHFFFAOYSA-N 1 2 458.335 4.089 20 0 JIADLO CN1CC[NH+](Cc2cccc(NC(=O)c3cnc4c(c3)c(C3CC3)nn4-c3ccccc3)c2)CC1 ZINC001317984049 1066831341 /nfs/dbraw/zinc/83/13/41/1066831341.db2.gz NHHIPENMLJRMDY-UHFFFAOYSA-N 1 2 466.589 4.298 20 0 JIADLO Cc1c(NC(=O)c2ccccc2I)cccc1NC(=O)[C@H](C)n1cc[nH+]c1 ZINC001317998132 1066841232 /nfs/dbraw/zinc/84/12/32/1066841232.db2.gz FHWGXIJNMREUHD-AWEZNQCLSA-N 1 2 474.302 4.248 20 0 JIADLO Cc1cc(C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)nn1-c1ccc(Cl)c(Cl)c1 ZINC001350083147 1066915209 /nfs/dbraw/zinc/91/52/09/1066915209.db2.gz XHGWSOCZUZPUGM-IBGZPJMESA-N 1 2 459.377 4.118 20 0 JIADLO Cc1cc(C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)nn1-c1ccc(Cl)c(Cl)c1 ZINC001350083147 1066915213 /nfs/dbraw/zinc/91/52/13/1066915213.db2.gz XHGWSOCZUZPUGM-IBGZPJMESA-N 1 2 459.377 4.118 20 0 JIADLO Cc1ncc(C[NH+]2CCN(c3nnc(COc4cccc(C)c4)n3CCOC(C)(C)C)CC2)s1 ZINC001492547517 1066929795 /nfs/dbraw/zinc/92/97/95/1066929795.db2.gz ANNZMUBOSCBWQM-UHFFFAOYSA-N 1 2 484.670 4.068 20 0 JIADLO COC(=O)c1ccc(C(=O)N2CC[NH+](Cc3ccc(-c4cccc(F)c4)s3)CC2)cc1F ZINC001350239425 1066936029 /nfs/dbraw/zinc/93/60/29/1066936029.db2.gz ZZBQWHYFGBLOJD-UHFFFAOYSA-N 1 2 456.514 4.438 20 0 JIADLO O=C(Nc1cccc(C(=O)Nc2ccc3nc(C[NH+]4CCCCC4)[nH]c3c2)c1)c1cccnc1 ZINC001318210565 1066960159 /nfs/dbraw/zinc/96/01/59/1066960159.db2.gz RNPOIAFBAARCFB-UHFFFAOYSA-N 1 2 454.534 4.448 20 0 JIADLO O=C(Nc1ccc2nc(C[NH+]3CCCCC3)[nH]c2c1)c1cnn(-c2ccccn2)c1C(F)(F)F ZINC001318229578 1066973330 /nfs/dbraw/zinc/97/33/30/1066973330.db2.gz JGLNNXRLUYSDCV-UHFFFAOYSA-N 1 2 469.471 4.401 20 0 JIADLO COc1cccc([C@H](C)[NH+]2CCN(C(=O)NCc3ccccc3CNC(=O)OC(C)(C)C)CC2)c1 ZINC001318325709 1067018040 /nfs/dbraw/zinc/01/80/40/1067018040.db2.gz ISDZQJPGYXQSCR-FQEVSTJZSA-N 1 2 482.625 4.308 20 0 JIADLO COc1cc[nH+]cc1Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N(C)[C@H]1CCC[C@@H](C)C1 ZINC001300686080 1067028523 /nfs/dbraw/zinc/02/85/23/1067028523.db2.gz BSDNBNJNJAVHJY-UTKZUKDTSA-N 1 2 483.016 4.328 20 0 JIADLO O=C(CCNC(=O)NC12CC3CC(CC(C3)C1)C2)Nc1ccc2nc(C[NH+]3CCCCC3)[nH]c2c1 ZINC001318416806 1067039343 /nfs/dbraw/zinc/03/93/43/1067039343.db2.gz CZAXHQHMHLVUKF-UHFFFAOYSA-N 1 2 478.641 4.145 20 0 JIADLO O=C(CCNS(=O)(=O)c1ccc2ccccc2c1)Nc1ccc2nc(C[NH+]3CCCCC3)[nH]c2c1 ZINC001318418934 1067040004 /nfs/dbraw/zinc/04/00/04/1067040004.db2.gz ZUDQDCWYEQYTBJ-UHFFFAOYSA-N 1 2 491.617 4.009 20 0 JIADLO COc1cc[nH+]cc1Cn1c(-c2ccc[nH]2)nnc1N(C)Cc1ccccc1Br ZINC001300692826 1067042792 /nfs/dbraw/zinc/04/27/92/1067042792.db2.gz LJDHREHSQPYIFZ-UHFFFAOYSA-N 1 2 453.344 4.124 20 0 JIADLO COc1cc[nH+]cc1Cn1c([C@@H](C)Oc2ccccc2F)nnc1N(C)Cc1c(C)noc1C ZINC001300694143 1067048087 /nfs/dbraw/zinc/04/80/87/1067048087.db2.gz OEMGCURJOKTGIX-QGZVFWFLSA-N 1 2 466.517 4.250 20 0 JIADLO COc1cc[nH+]cc1Cn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@H](CNC(=O)C(C)(C)C)C1 ZINC001300694391 1067048538 /nfs/dbraw/zinc/04/85/38/1067048538.db2.gz RQVOPMCBPHCZSU-GOSISDBHSA-N 1 2 497.043 4.429 20 0 JIADLO COc1cc[nH+]cc1Cn1c(Cc2ccccc2F)nnc1N(C)Cc1cnc(C(C)C)nc1 ZINC001300695249 1067051383 /nfs/dbraw/zinc/05/13/83/1067051383.db2.gz QHFCNWWOWMLXDK-UHFFFAOYSA-N 1 2 461.545 4.010 20 0 JIADLO COc1cc[nH+]cc1Cn1c(COc2cc(C)ccc2C(C)C)nnc1N(C)C[C@H]1CCCO1 ZINC001300695612 1067052486 /nfs/dbraw/zinc/05/24/86/1067052486.db2.gz ZRESUDMINZCFJX-OAQYLSRUSA-N 1 2 465.598 4.356 20 0 JIADLO COc1cc[nH+]cc1Cn1c(CC(C)(C)C)nnc1N1CCO[C@@H](c2ccc(OC(F)F)cc2)C1 ZINC001300697330 1067055453 /nfs/dbraw/zinc/05/54/53/1067055453.db2.gz QUNHNXMNAWHPOR-OAQYLSRUSA-N 1 2 487.551 4.498 20 0 JIADLO Cc1cccc(C)c1NC(=O)Cn1c(C(C)C)nnc1N(C)C[C@H](c1cccs1)[NH+]1CCOCC1 ZINC001492487007 1067083855 /nfs/dbraw/zinc/08/38/55/1067083855.db2.gz OTKFEUPRJIZYTN-OAQYLSRUSA-N 1 2 496.681 4.228 20 0 JIADLO CCOC(=O)c1sc(-c2ccccc2)cc1NC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001351514323 1067113693 /nfs/dbraw/zinc/11/36/93/1067113693.db2.gz FZIVVWGXAJNQFG-OAQYLSRUSA-N 1 2 450.560 4.431 20 0 JIADLO CCOC(=O)c1sc(-c2ccccc2)cc1NC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001351514323 1067113732 /nfs/dbraw/zinc/11/37/32/1067113732.db2.gz FZIVVWGXAJNQFG-OAQYLSRUSA-N 1 2 450.560 4.431 20 0 JIADLO CCC[C@@H](NC(=O)NCc1ccc(F)cc1)C(=O)Nc1ccc2nc(C[NH+]3CCCCC3)[nH]c2c1 ZINC001321485901 1067143468 /nfs/dbraw/zinc/14/34/68/1067143468.db2.gz KXFJMDDCHUOLBA-JOCHJYFZSA-N 1 2 480.588 4.295 20 0 JIADLO Cc1c(C(=O)Nc2ccc3nc(C[NH+]4CCCCC4)[nH]c3c2)nnn1-c1ccc(F)c(Cl)c1 ZINC001321636211 1067185562 /nfs/dbraw/zinc/18/55/62/1067185562.db2.gz DZEFHDIQIZQJBS-UHFFFAOYSA-N 1 2 467.936 4.483 20 0 JIADLO CCN(CCn1cc[nH+]c1)C(=S)Nc1c(F)cc(Br)cc1Br ZINC001200802224 1067208166 /nfs/dbraw/zinc/20/81/66/1067208166.db2.gz VHIRPFZQHLJDMR-UHFFFAOYSA-N 1 2 450.175 4.266 20 0 JIADLO Fc1cc(Br)cc(Br)c1NC(=S)NCc1c[nH+]cn1CC1CC1 ZINC001200806084 1067230363 /nfs/dbraw/zinc/23/03/63/1067230363.db2.gz ZTBBYNYNGSDECT-UHFFFAOYSA-N 1 2 462.186 4.444 20 0 JIADLO CC[NH+](CC)CCn1ccc2cc(NC(=O)c3ccc(CNC(=O)C(F)(F)F)o3)ccc21 ZINC001351985764 1067262794 /nfs/dbraw/zinc/26/27/94/1067262794.db2.gz IXPHWCUXFPKZGI-UHFFFAOYSA-N 1 2 450.461 4.007 20 0 JIADLO COc1ccccc1-n1c(C)nnc1SCC(=O)Nc1ccc2nc(C[NH+]3CCCCC3)[nH]c2c1 ZINC001322404495 1067286851 /nfs/dbraw/zinc/28/68/51/1067286851.db2.gz OOTLKXDLVFXNEV-UHFFFAOYSA-N 1 2 491.621 4.177 20 0 JIADLO CO[C@@H]1CCCN(c2nnc(-c3ccccc3Br)n2CCCNc2cccc[nH+]2)C1 ZINC001300765110 1067306767 /nfs/dbraw/zinc/30/67/67/1067306767.db2.gz YEQROYBHGVAEIR-QGZVFWFLSA-N 1 2 471.403 4.220 20 0 JIADLO CO[C@H]1CCCN(c2nnc(COc3cc(C)ccc3C(C)C)n2Cc2ccc(N(C)C)[nH+]c2)C1 ZINC001300772762 1067323313 /nfs/dbraw/zinc/32/33/13/1067323313.db2.gz MLUUAHRNAULQLS-QFIPXVFZSA-N 1 2 478.641 4.413 20 0 JIADLO Cc1cccc(C[NH+]2CCN(C(=O)c3nn(-c4ccccc4F)cc3Br)CC2)c1 ZINC001323584512 1067323937 /nfs/dbraw/zinc/32/39/37/1067323937.db2.gz VKLCIHHIDFWSHW-UHFFFAOYSA-N 1 2 457.347 4.040 20 0 JIADLO C[NH+]1CCN(C(=O)c2ccccc2NC(=O)c2cccc3cccc(Br)c32)CC1 ZINC001352334745 1067334345 /nfs/dbraw/zinc/33/43/45/1067334345.db2.gz VEWIEAZBWCHFIT-UHFFFAOYSA-N 1 2 452.352 4.242 20 0 JIADLO COc1ccc(-c2nnc(N(C)CC(F)(F)F)n2C[C@@H]2CCCn3cc(C)[nH+]c32)c(OC)c1 ZINC001300000865 1067337659 /nfs/dbraw/zinc/33/76/59/1067337659.db2.gz MWOCALOWKFZPTH-HNNXBMFYSA-N 1 2 464.492 4.043 20 0 JIADLO Cc1ccccc1[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](c1ccsc1)[NH+](C)C ZINC001492553367 1067346306 /nfs/dbraw/zinc/34/63/06/1067346306.db2.gz JOOYJLPWSZWRJQ-CZTZKLFOSA-N 1 2 487.695 4.050 20 0 JIADLO CCOC(=O)N1CCC[C@H](C(=O)N2CC[NH+](Cc3ccc(-c4ccccc4F)s3)CC2)C1 ZINC001355907632 1067605557 /nfs/dbraw/zinc/60/55/57/1067605557.db2.gz VRLXCAHWRQZLJP-SFHVURJKSA-N 1 2 459.587 4.067 20 0 JIADLO Cc1cn(C)nc1C(=O)N1CC[NH+](Cc2ccc(-c3ccc(Br)cc3)s2)CC1 ZINC001352670689 1067618718 /nfs/dbraw/zinc/61/87/18/1067618718.db2.gz MPPQZGAFWUULSR-UHFFFAOYSA-N 1 2 459.413 4.178 20 0 JIADLO COc1ccc(-c2nnc(N3CCOC[C@H]3C)n2CCCc2cccc(C)[nH+]2)cc1Br ZINC001300083027 1067621551 /nfs/dbraw/zinc/62/15/51/1067621551.db2.gz HBMKDMRMDQEWFW-QGZVFWFLSA-N 1 2 486.414 4.278 20 0 JIADLO O=C(Nc1cccc(C[NH+]2CCOCC2)c1)[C@@H](c1ccc(Br)cc1)N1CCCC1 ZINC001356159266 1067676470 /nfs/dbraw/zinc/67/64/70/1067676470.db2.gz VHICMMTYWCHALH-JOCHJYFZSA-N 1 2 458.400 4.057 20 0 JIADLO COC(=O)Nc1ccc(C(=O)Nc2nc3ccccc3n2CCCn2cc[nH+]c2)c(Cl)c1 ZINC001352778730 1067714748 /nfs/dbraw/zinc/71/47/48/1067714748.db2.gz LCRCMPNLGRZOKQ-UHFFFAOYSA-N 1 2 452.902 4.407 20 0 JIADLO C[NH+]1CCN(C(=O)c2ccccc2NC(=O)c2cc(Br)c3ccccc3c2)CC1 ZINC001352817683 1067740648 /nfs/dbraw/zinc/74/06/48/1067740648.db2.gz GBXGUZFHLBQMAA-UHFFFAOYSA-N 1 2 452.352 4.242 20 0 JIADLO CCN1CCn2c(C)c[nH+]c2C12CCN(C(=S)Nc1ccc(C)cc1Br)CC2 ZINC001200144017 1067748161 /nfs/dbraw/zinc/74/81/61/1067748161.db2.gz IIJVGAYDMFCSOE-UHFFFAOYSA-N 1 2 462.461 4.286 20 0 JIADLO Cc1ccccc1Nc1nc2sc(C(=O)Nc3cnn(CC[NH+]4CCOCC4)c3)cc2s1 ZINC000487234122 1067804892 /nfs/dbraw/zinc/80/48/92/1067804892.db2.gz SZPBOOLBYUGOSN-UHFFFAOYSA-N 1 2 468.608 4.191 20 0 JIADLO Cc1cc(Br)cc(C)c1NC(=S)N(C)CC[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC001200228912 1067872590 /nfs/dbraw/zinc/87/25/90/1067872590.db2.gz YXWLSUFBMMGNAQ-UHFFFAOYSA-N 1 2 485.492 4.247 20 0 JIADLO COc1ccc(C[NH+]2CCN(c3nnc(C4CCC4)n3CCSCC(F)(F)F)CC2)cc1F ZINC001300231871 1067917182 /nfs/dbraw/zinc/91/71/82/1067917182.db2.gz DAEJJQGEDMURKL-UHFFFAOYSA-N 1 2 487.567 4.311 20 0 JIADLO COc1ccc(C[NH+]2CCN(c3nnc(Cc4ccccn4)n3CCCC(C)C)CC2)cc1F ZINC001300232249 1067918258 /nfs/dbraw/zinc/91/82/58/1067918258.db2.gz QFKOAGSBUUGJGE-UHFFFAOYSA-N 1 2 466.605 4.170 20 0 JIADLO Cc1c(C(=O)N(Cc2ccccc2)[C@@H](C)C[NH+]2CCOCC2)cnn1-c1ccccc1Cl ZINC001358071996 1068009007 /nfs/dbraw/zinc/00/90/07/1068009007.db2.gz IPHKWSOPBCCRGJ-IBGZPJMESA-N 1 2 452.986 4.197 20 0 JIADLO COc1ccc(OCc2nnc(N3C[C@H](C)OC(C)(C)C3)n2CCCc2cccc(C)[nH+]2)cc1 ZINC001300269418 1068045882 /nfs/dbraw/zinc/04/58/82/1068045882.db2.gz MVPIRJFZCCSWAO-FQEVSTJZSA-N 1 2 465.598 4.206 20 0 JIADLO CC(=O)Nc1cccc(Nc2nnc(SCC(=O)Nc3nc(C[NH+]4CCCC4)cs3)s2)c1 ZINC000510185467 1068156604 /nfs/dbraw/zinc/15/66/04/1068156604.db2.gz MJBPVXPGCQVIGV-UHFFFAOYSA-N 1 2 489.652 4.023 20 0 JIADLO CCN(c1ccccc1)S(=O)(=O)c1ccc(NCc2ccc(-n3cc[nH+]c3)c(F)c2)nc1 ZINC000518689366 1068310341 /nfs/dbraw/zinc/31/03/41/1068310341.db2.gz XLPGCAPBNWVTIM-UHFFFAOYSA-N 1 2 451.527 4.234 20 0 JIADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)c1ccc(Oc2ccc(Oc3ccccc3)cc2)nc1 ZINC000518744177 1068310929 /nfs/dbraw/zinc/31/09/29/1068310929.db2.gz DRXXGWLDDVJZPU-UHFFFAOYSA-N 1 2 485.544 4.447 20 0 JIADLO COc1ccc([C@H](NC(=O)c2cccc(Cn3cc[nH+]c3)c2)c2ccc(OC)cc2OC)cc1 ZINC001353578245 1068342796 /nfs/dbraw/zinc/34/27/96/1068342796.db2.gz HUCARPOXPZTZEI-SANMLTNESA-N 1 2 457.530 4.477 20 0 JIADLO CC(C)c1c(C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)cnn1-c1ccccc1Cl ZINC001353708872 1068492690 /nfs/dbraw/zinc/49/26/90/1068492690.db2.gz WLTDRLZFKYEGOL-FQEVSTJZSA-N 1 2 452.986 4.280 20 0 JIADLO CC(C)c1c(C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)cnn1-c1ccccc1Cl ZINC001353708872 1068492700 /nfs/dbraw/zinc/49/27/00/1068492700.db2.gz WLTDRLZFKYEGOL-FQEVSTJZSA-N 1 2 452.986 4.280 20 0 JIADLO COc1cccc(-c2nnc(N3CCN(c4cccc[nH+]4)CC3)n2C[C@H](SC)C(C)(C)C)c1 ZINC001300389297 1068500633 /nfs/dbraw/zinc/50/06/33/1068500633.db2.gz QCVMWJXZUCYFDN-NRFANRHFSA-N 1 2 466.655 4.453 20 0 JIADLO COc1cccc(Cn2c(CC(C)C)nnc2N2CCN(c3cc(C)[nH+]c(C(C)C)n3)CC2)c1OC ZINC001300427859 1068669916 /nfs/dbraw/zinc/66/99/16/1068669916.db2.gz IGIYCOKLPRTGPI-UHFFFAOYSA-N 1 2 493.656 4.091 20 0 JIADLO Cc1c(C(=O)N[C@@H]2C[NH+]3CCC2CC3)sc2[nH]c(CSc3cc(C)ccc3C)nc(=O)c12 ZINC001353861468 1068679954 /nfs/dbraw/zinc/67/99/54/1068679954.db2.gz QGLPMNGYEMZGTA-QGZVFWFLSA-N 1 2 468.648 4.026 20 0 JIADLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)c1ccc(Cn2ccc(C(F)(F)F)n2)cc1 ZINC001353921260 1068756193 /nfs/dbraw/zinc/75/61/93/1068756193.db2.gz FLWLOKOYNVBXJB-UHFFFAOYSA-N 1 2 458.484 4.343 20 0 JIADLO Cc1nn(CC(=O)N2CC[NH+](Cc3ccc(OC(F)(F)F)cc3)CC2)cc1-c1ccccc1 ZINC001354043826 1068859917 /nfs/dbraw/zinc/85/99/17/1068859917.db2.gz ITYRRLUWCMVAFO-UHFFFAOYSA-N 1 2 458.484 4.102 20 0 JIADLO COc1ccccc1[C@H]1CCCN1c1nnc(C(=O)NC(C)C)n1CCCc1cccc(C)[nH+]1 ZINC001300520582 1068910720 /nfs/dbraw/zinc/91/07/20/1068910720.db2.gz JNIYDRJQXOLHSL-JOCHJYFZSA-N 1 2 462.598 4.103 20 0 JIADLO COc1cccc([C@H](C)[NH+]2CCN(C(=O)Nc3nnc(Cc4cccc(F)c4)s3)CC2)c1 ZINC000504155816 1069081141 /nfs/dbraw/zinc/08/11/41/1069081141.db2.gz MXMZXILQVFONOT-INIZCTEOSA-N 1 2 455.559 4.187 20 0 JIADLO CN(C)c1ccc([NH+]2CCC(NC(=O)[C@H]3CC[C@@H](C4CC4)N3C(=O)OC(C)(C)C)CC2)cc1 ZINC001354414823 1069199970 /nfs/dbraw/zinc/19/99/70/1069199970.db2.gz OLUOUJGXNXFQNV-XZOQPEGZSA-N 1 2 456.631 4.016 20 0 JIADLO COc1ccccc1OCc1nnc(N(C)CC(C)C)n1Cc1ccc(N2CCCC2)[nH+]c1 ZINC001300627197 1069263109 /nfs/dbraw/zinc/26/31/09/1069263109.db2.gz GHTDRSHLIDPFOQ-UHFFFAOYSA-N 1 2 450.587 4.001 20 0 JIADLO FC(F)(Cc1nc(Cl)cc(Cl)n1)N1CCO[C@H](c2[nH+]cn3c2cccc3Br)C1 ZINC001164415822 718890479 /nfs/dbraw/zinc/89/04/79/718890479.db2.gz BZLUPZCWPVUCMS-NSHDSACASA-N 1 2 493.139 4.402 20 0 JIADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ncnc3c(OC)cccc31)CC2 ZINC001164662910 719347478 /nfs/dbraw/zinc/34/74/78/719347478.db2.gz AYEWDQIYFUYNFO-UHFFFAOYSA-N 1 2 454.578 4.333 20 0 JIADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ncnc3c(OC)cccc31)CC2 ZINC001164662910 719347479 /nfs/dbraw/zinc/34/74/79/719347479.db2.gz AYEWDQIYFUYNFO-UHFFFAOYSA-N 1 2 454.578 4.333 20 0 JIADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ccnc(-c3cccnc3)n1)CC2 ZINC001164660584 719350986 /nfs/dbraw/zinc/35/09/86/719350986.db2.gz VNFOKFRZQCTNQN-UHFFFAOYSA-N 1 2 451.578 4.233 20 0 JIADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ccnc(-c3cccnc3)n1)CC2 ZINC001164660584 719350988 /nfs/dbraw/zinc/35/09/88/719350988.db2.gz VNFOKFRZQCTNQN-UHFFFAOYSA-N 1 2 451.578 4.233 20 0 JIADLO COc1ccc(OC)c(-c2ccc(N3CCC4(CC3)COCC[N@@H+]4Cc3ccc(F)cc3)nn2)c1 ZINC001164677800 719526277 /nfs/dbraw/zinc/52/62/77/719526277.db2.gz GSYYUHAXVSUFFR-UHFFFAOYSA-N 1 2 478.568 4.171 20 0 JIADLO COc1ccc(OC)c(-c2ccc(N3CCC4(CC3)COCC[N@H+]4Cc3ccc(F)cc3)nn2)c1 ZINC001164677800 719526289 /nfs/dbraw/zinc/52/62/89/719526289.db2.gz GSYYUHAXVSUFFR-UHFFFAOYSA-N 1 2 478.568 4.171 20 0 JIADLO COc1ccccc1-c1cc(C(F)(F)N2CCc3onc(Cn4cc[nH+]c4)c3C2)c(Cl)nn1 ZINC001164676537 719567810 /nfs/dbraw/zinc/56/78/10/719567810.db2.gz HOWOZSVKGZHMOL-UHFFFAOYSA-N 1 2 472.883 4.146 20 0 JIADLO Cc1cccc(-c2cc(C(F)(F)N3CCc4onc(Cn5cc[nH+]c5)c4C3)c(Cl)nn2)c1 ZINC001164676989 719567882 /nfs/dbraw/zinc/56/78/82/719567882.db2.gz UDCJVTKKSJDDSX-UHFFFAOYSA-N 1 2 456.884 4.446 20 0 JIADLO NC(=O)c1ccc(-c2c[nH+]c3n2CCC32CCN(C(F)(F)Oc3ccc(Cl)nc3)CC2)cc1 ZINC001164695160 719830182 /nfs/dbraw/zinc/83/01/82/719830182.db2.gz BWWFMXNDLWIGFG-UHFFFAOYSA-N 1 2 473.911 4.064 20 0 JIADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1C(F)(F)c1ccc(-c2ccnc(Cl)c2)cc1 ZINC001164697325 719846873 /nfs/dbraw/zinc/84/68/73/719846873.db2.gz CQLFBHSZJCYDJX-NFBKMPQASA-N 1 2 479.955 4.180 20 0 JIADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4ccc5c(Cl)ccc(F)c5n4)CC3)C2=O)cs1 ZINC001164821868 720384873 /nfs/dbraw/zinc/38/48/73/720384873.db2.gz KEFSCDKXABOUTB-UHFFFAOYSA-N 1 2 474.005 4.105 20 0 JIADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4ccc5c(Cl)ccc(F)c5n4)CC3)C2=O)cs1 ZINC001164821868 720384879 /nfs/dbraw/zinc/38/48/79/720384879.db2.gz KEFSCDKXABOUTB-UHFFFAOYSA-N 1 2 474.005 4.105 20 0 JIADLO O=c1cc(Cn2cc[nH+]c2)nc2n1CCCN(C(F)(F)c1cnc(Cl)c(-c3cccs3)c1)C2 ZINC001164859408 720896458 /nfs/dbraw/zinc/89/64/58/720896458.db2.gz PZLANRIEXIVJEG-UHFFFAOYSA-N 1 2 488.951 4.220 20 0 JIADLO Fc1ccc2nc(C(F)(F)N3Cc4c[nH+]cn4C[C@@H](COc4cccnc4)C3)nc(Cl)c2c1 ZINC001164770637 721273306 /nfs/dbraw/zinc/27/33/06/721273306.db2.gz VKSVDRYFAZBQFR-CQSZACIVSA-N 1 2 474.874 4.274 20 0 JIADLO COc1ccc(-c2cc(C(F)(F)N3C[C@H]4C[NH+](Cc5nccs5)C[C@@H]4C3)c(Cl)nn2)cc1 ZINC001164781401 721439001 /nfs/dbraw/zinc/43/90/01/721439001.db2.gz FTDMXIZTGHHTPR-HZPDHXFCSA-N 1 2 477.968 4.375 20 0 JIADLO COCc1nc2scc(-c3ccccc3)c2c(N2CCCn3c(C[N@H+](C)C(C)C)nnc3C2)n1 ZINC001165009991 721716503 /nfs/dbraw/zinc/71/65/03/721716503.db2.gz DHMLYCCUFYIHHJ-UHFFFAOYSA-N 1 2 477.638 4.347 20 0 JIADLO COCc1nc2scc(-c3ccccc3)c2c(N2CCCn3c(C[N@@H+](C)C(C)C)nnc3C2)n1 ZINC001165009991 721716509 /nfs/dbraw/zinc/71/65/09/721716509.db2.gz DHMLYCCUFYIHHJ-UHFFFAOYSA-N 1 2 477.638 4.347 20 0 JIADLO c1ccc(-c2cc(-c3ccccc3)nc(N3CCO[C@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)n2)cc1 ZINC001164910156 721775687 /nfs/dbraw/zinc/77/56/87/721775687.db2.gz AFHWNSGNOCRJNG-SSEXGKCCSA-N 1 2 493.611 4.313 20 0 JIADLO c1ccc(-c2cc(-c3ccccc3)nc(N3CCO[C@]4(C3)COCC[N@H+](Cc3cccnc3)C4)n2)cc1 ZINC001164910156 721775689 /nfs/dbraw/zinc/77/56/89/721775689.db2.gz AFHWNSGNOCRJNG-SSEXGKCCSA-N 1 2 493.611 4.313 20 0 JIADLO Clc1cc2nc(Cl)c(N3CCO[C@@]4(C3)COCC[N@H+](Cc3cccnc3)C4)nc2cc1Cl ZINC001164912876 721776378 /nfs/dbraw/zinc/77/63/78/721776378.db2.gz RDQPQWQSJGQRJY-QFIPXVFZSA-N 1 2 494.810 4.093 20 0 JIADLO Clc1cc2nc(Cl)c(N3CCO[C@@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)nc2cc1Cl ZINC001164912876 721776379 /nfs/dbraw/zinc/77/63/79/721776379.db2.gz RDQPQWQSJGQRJY-QFIPXVFZSA-N 1 2 494.810 4.093 20 0 JIADLO Cc1c[nH+]c2n1CCN(C)C21CCN(c2nc(-c3ccccc3)nc(-c3ccccc3)n2)CC1 ZINC001164916198 721814881 /nfs/dbraw/zinc/81/48/81/721814881.db2.gz BAZYTYBFHUWGJZ-UHFFFAOYSA-N 1 2 451.578 4.152 20 0 JIADLO Cc1c[nH+]c2n1CCN(C)C21CCN(c2nc(-c3ccc(Cl)s3)nc3c2CCC3)CC1 ZINC001164919702 721820175 /nfs/dbraw/zinc/82/01/75/721820175.db2.gz UDVYYMISANOZHU-UHFFFAOYSA-N 1 2 455.031 4.293 20 0 JIADLO Cc1cccc(Oc2nc(Cl)ncc2N2CCC3(CC2)C(=O)NCC[N@H+]3Cc2ccccc2)c1 ZINC001164951005 721981387 /nfs/dbraw/zinc/98/13/87/721981387.db2.gz WSFSPEKHVVWXOX-UHFFFAOYSA-N 1 2 477.996 4.202 20 0 JIADLO Cc1cccc(Oc2nc(Cl)ncc2N2CCC3(CC2)C(=O)NCC[N@@H+]3Cc2ccccc2)c1 ZINC001164951005 721981390 /nfs/dbraw/zinc/98/13/90/721981390.db2.gz WSFSPEKHVVWXOX-UHFFFAOYSA-N 1 2 477.996 4.202 20 0 JIADLO Cc1nc(CO[C@H]2COC3(C2)CCN(c2ncnc4c2C[N@H+](Cc2ccccc2)CC4)CC3)cs1 ZINC001165005776 722272563 /nfs/dbraw/zinc/27/25/63/722272563.db2.gz JVPAFDOUJZGLNU-HSZRJFAPSA-N 1 2 491.661 4.145 20 0 JIADLO Cc1nc(CO[C@H]2COC3(C2)CCN(c2ncnc4c2C[N@@H+](Cc2ccccc2)CC4)CC3)cs1 ZINC001165005776 722272565 /nfs/dbraw/zinc/27/25/65/722272565.db2.gz JVPAFDOUJZGLNU-HSZRJFAPSA-N 1 2 491.661 4.145 20 0 JIADLO COC(=O)c1sc2c(c1NC(=S)NCc1ccc3c(c1)OCO3)CC[N@@H+](Cc1ccccc1)C2 ZINC001200720386 1069386560 /nfs/dbraw/zinc/38/65/60/1069386560.db2.gz MUQOOCZCEFSQKX-UHFFFAOYSA-N 1 2 495.626 4.308 20 0 JIADLO COC(=O)c1sc2c(c1NC(=S)NCc1ccc3c(c1)OCO3)CC[N@H+](Cc1ccccc1)C2 ZINC001200720386 1069386574 /nfs/dbraw/zinc/38/65/74/1069386574.db2.gz MUQOOCZCEFSQKX-UHFFFAOYSA-N 1 2 495.626 4.308 20 0 JIADLO COc1ccccc1SCc1nnc(N2C[C@H](C)C[C@H](C)C2)n1CC[N@@H+]1CCOCC1(C)C ZINC001300668904 1069395945 /nfs/dbraw/zinc/39/59/45/1069395945.db2.gz HRTUJYXLLOJZOQ-BGYRXZFFSA-N 1 2 473.687 4.172 20 0 JIADLO COc1ccccc1SCc1nnc(N2C[C@H](C)C[C@H](C)C2)n1CC[N@H+]1CCOCC1(C)C ZINC001300668904 1069395956 /nfs/dbraw/zinc/39/59/56/1069395956.db2.gz HRTUJYXLLOJZOQ-BGYRXZFFSA-N 1 2 473.687 4.172 20 0 JIADLO COc1ccccc1SCc1nnc(N2C[C@@H](C)C[C@H](C)C2)n1CC(C)(C)[NH+]1CCOCC1 ZINC001300670860 1069404041 /nfs/dbraw/zinc/40/40/41/1069404041.db2.gz YPJQGELZLAUNME-PMACEKPBSA-N 1 2 473.687 4.172 20 0 JIADLO CC(C)(C)Cc1nnc(N2CCC=C(Br)C2)n1Cc1ccc(N2CCCC2)[nH+]c1 ZINC001359534410 1069827658 /nfs/dbraw/zinc/82/76/58/1069827658.db2.gz UUVFSSYZMCSLOH-UHFFFAOYSA-N 1 2 459.436 4.399 20 0 JIADLO CC(C)C(=O)NC[C@@H]1CCCN(c2nnc(C(C)(C)C)n2Cc2ccc(N3CCCCCC3)[nH+]c2)C1 ZINC001359626699 1070122242 /nfs/dbraw/zinc/12/22/42/1070122242.db2.gz SPNURAQNOSYXOJ-QFIPXVFZSA-N 1 2 495.716 4.388 20 0 JIADLO COc1ccc(CN(C)c2nnc(CC(C)(C)C)n2Cc2ccc(N(C)C)[nH+]c2)cc1OC ZINC001315473747 1064317561 /nfs/dbraw/zinc/31/75/61/1064317561.db2.gz AAMUIJWDVUNPFZ-UHFFFAOYSA-N 1 2 452.603 4.030 20 0 JIADLO COc1ccc(Cn2c(CC(C)(C)C)nnc2N2CCN(c3cc(C)[nH+]c(C(C)C)n3)CC2)cc1 ZINC001315499733 1064397940 /nfs/dbraw/zinc/39/79/40/1064397940.db2.gz VHAHCMXWEHLDHI-UHFFFAOYSA-N 1 2 477.657 4.472 20 0 JIADLO COc1ccc(C[NH+]2CCN(c3nnc(-c4cccc(C)n4)n3C[C@@H](OC)C(C)(C)C)CC2)cc1F ZINC001315504849 1064416486 /nfs/dbraw/zinc/41/64/86/1064416486.db2.gz KSLBDRCAPVATBK-XMMPIXPASA-N 1 2 496.631 4.180 20 0 JIADLO COc1ccc(C[NH+]2CCN(c3nnc([C@H]4CCCO4)n3CCCC(C)(C)C)CC2)cc1F ZINC001315504798 1064416579 /nfs/dbraw/zinc/41/65/79/1064416579.db2.gz IXTPDFBKGZJRIE-JOCHJYFZSA-N 1 2 459.610 4.426 20 0 JIADLO COc1ccc(C[NH+]2CCN(c3nnc(C(C)(C)C)n3C[C@@]3(C)CCCS3)CC2)cc1F ZINC001315505243 1064418803 /nfs/dbraw/zinc/41/88/03/1064418803.db2.gz POSPHFMAWZLJEL-XMMPIXPASA-N 1 2 461.651 4.331 20 0 JIADLO COc1ccccc1Cc1nnc(N(C)Cc2cc(Cl)ccn2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001315616733 1064744540 /nfs/dbraw/zinc/74/45/40/1064744540.db2.gz XXWZUWFQNIUUIL-UHFFFAOYSA-N 1 2 478.000 4.072 20 0 JIADLO COc1ccccc1CN(C)c1nnc(-c2cc(Br)cn2C)n1Cc1c[nH+]ccc1OC ZINC001315637013 1064795036 /nfs/dbraw/zinc/79/50/36/1064795036.db2.gz SUINRLSLAWPQBH-UHFFFAOYSA-N 1 2 497.397 4.143 20 0 JIADLO COc1ccccc1OCCN(C)c1nnc(C(C)C)n1Cc1ccc(N2CCCCC2)[nH+]c1 ZINC001315658827 1064853202 /nfs/dbraw/zinc/85/32/02/1064853202.db2.gz NJQRHNBOHWGJMQ-UHFFFAOYSA-N 1 2 464.614 4.359 20 0 JIADLO COc1ccccc1SCc1nnc(N2CCC=C(C)C2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001315668165 1064890802 /nfs/dbraw/zinc/89/08/02/1064890802.db2.gz UGJQRESFTMLWOR-UHFFFAOYSA-N 1 2 450.612 4.245 20 0 JIADLO COc1cc[nH+]cc1Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCC(F)(F)CC1 ZINC001315669591 1064896888 /nfs/dbraw/zinc/89/68/88/1064896888.db2.gz NIFHUZNSWHIONW-UHFFFAOYSA-N 1 2 473.524 4.428 20 0 JIADLO COc1cc[nH+]cc1Cn1c(Cc2ccc(F)cc2)nnc1N(C)Cc1cnc(C(C)C)nc1 ZINC001315671378 1064900607 /nfs/dbraw/zinc/90/06/07/1064900607.db2.gz DMWZAPAIXYMULU-UHFFFAOYSA-N 1 2 461.545 4.010 20 0 JIADLO COc1cc[nH+]cc1Cn1c(CCCOc2ccc(Cl)cc2C)nnc1N1C[C@H](C)O[C@@H](C)C1 ZINC001315671383 1064901152 /nfs/dbraw/zinc/90/11/52/1064901152.db2.gz DCOOOTOHCWRWAX-OALUTQOASA-N 1 2 486.016 4.317 20 0 JIADLO COc1cc[nH+]cc1Cn1c(N2CCN([C@@H](C)c3ccc(F)cc3F)CC2)nnc1C(C)(C)C ZINC001315671696 1064901313 /nfs/dbraw/zinc/90/13/13/1064901313.db2.gz FMWMLRIEHIEIHW-KRWDZBQOSA-N 1 2 470.568 4.189 20 0 JIADLO COc1cc[nH+]cc1Cn1c(CC(C)(C)C)nnc1N1CC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1 ZINC001315673103 1064904822 /nfs/dbraw/zinc/90/48/22/1064904822.db2.gz WWSVSZFHZJBCCU-ROUUACIJSA-N 1 2 472.634 4.058 20 0 JIADLO COc1cc[nH+]cc1Cn1c(COc2ccc(Cl)cc2)nnc1N1CC[C@@H](OCC(C)C)C1 ZINC001315673288 1064905907 /nfs/dbraw/zinc/90/59/07/1064905907.db2.gz YIYONGQNKPRJQE-OAQYLSRUSA-N 1 2 471.989 4.214 20 0 JIADLO COc1cc[nH+]cc1Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCS[C@@H](C)[C@H]1C ZINC001315673476 1064906657 /nfs/dbraw/zinc/90/66/57/1064906657.db2.gz CVYLOFXSYLOJCR-AOIWGVFYSA-N 1 2 488.658 4.132 20 0 JIADLO COC1CCC(Cn2c([C@H](C)Oc3cccc(C)c3C)nnc2N(C)CC[NH+]2CCOCC2)CC1 ZINC001315679667 1064920995 /nfs/dbraw/zinc/92/09/95/1064920995.db2.gz AXKMOBMRXFBYDU-BOMBAVFCSA-N 1 2 485.673 4.009 20 0 JIADLO COC1CCC(Cn2c(CC(C)C)nnc2N(C)C[C@@H](c2cccs2)[NH+]2CCOCC2)CC1 ZINC001315681987 1064927727 /nfs/dbraw/zinc/92/77/27/1064927727.db2.gz BKVMWCLRTGYRCG-HRTMPFAESA-N 1 2 475.703 4.253 20 0 JIADLO CO[C@@H]1CCCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CCCc2cccc(C)[nH+]2)C1 ZINC001315707790 1064982129 /nfs/dbraw/zinc/98/21/29/1064982129.db2.gz QDBFZJKXNDDYDA-YADHBBJMSA-N 1 2 484.645 4.302 20 0 JIADLO COCC1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2CC(C)(C)[NH+]2CCOCC2)CC1 ZINC001315906842 1065392105 /nfs/dbraw/zinc/39/21/05/1065392105.db2.gz QKASGGBVYWLSNM-IBGZPJMESA-N 1 2 492.064 4.045 20 0 JIADLO COCCC1(Cn2c(CC(C)(C)C)nnc2N2CCN(c3cc[nH+]c(C)n3)CC2)CCCCC1 ZINC001315984936 1065552272 /nfs/dbraw/zinc/55/22/72/1065552272.db2.gz QPBYWXUXNJRGLG-UHFFFAOYSA-N 1 2 469.678 4.279 20 0 JIADLO COCCN(C)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1Cc1c[nH+]ccc1OC ZINC001316055374 1065689057 /nfs/dbraw/zinc/68/90/57/1065689057.db2.gz LOQGFEXSXALATD-KRWDZBQOSA-N 1 2 459.978 4.223 20 0 JIADLO CS[C@H](C)Cn1c(-c2ccc(Br)cc2)nnc1N1CCc2c(cc[nH+]c2N(C)C)C1 ZINC001316374841 1066133209 /nfs/dbraw/zinc/13/32/09/1066133209.db2.gz HCEKPYLMYRDWMN-OAHLLOKOSA-N 1 2 487.471 4.483 20 0 JIADLO CSC1(Cn2c(C(C)C)nnc2N2CC[NH+](CCOc3ccccc3Cl)CC2)CC1 ZINC001316399599 1066177236 /nfs/dbraw/zinc/17/72/36/1066177236.db2.gz UHSCEGKCKFLCFV-UHFFFAOYSA-N 1 2 450.052 4.152 20 0 JIADLO COc1ccc(-c2cn(C[NH+]3CCC(OCC(N)=O)CC3)c(=S)n2-c2ccc(C)cc2C)cc1 ZINC001325208671 1066239977 /nfs/dbraw/zinc/23/99/77/1066239977.db2.gz IOZBLULQZOELOZ-UHFFFAOYSA-N 1 2 480.634 4.225 20 0 JIADLO CS[C@H]1CCCCN(c2nnc(Cc3ccccc3C)n2Cc2ccc(N(C)C)[nH+]c2)C1 ZINC001316427322 1066250790 /nfs/dbraw/zinc/25/07/90/1066250790.db2.gz ILSJYJBFDPSHGQ-QFIPXVFZSA-N 1 2 450.656 4.409 20 0 JIADLO CS[C@@H]1CCCCN(c2nnc(COc3ccccc3F)n2Cc2ccc(N(C)C)[nH+]c2)C1 ZINC001316428892 1066258048 /nfs/dbraw/zinc/25/80/48/1066258048.db2.gz BITORVJJURBHIE-LJQANCHMSA-N 1 2 470.618 4.227 20 0 JIADLO CSC[C@@H]1CCCN1c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CC[N@@H+]1CCOC[C@H]1C ZINC001316435182 1066285131 /nfs/dbraw/zinc/28/51/31/1066285131.db2.gz VCSFPJXJZKDDLP-GGPKGHCWSA-N 1 2 480.078 4.124 20 0 JIADLO CSC[C@@H]1CCCN1c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CC[N@H+]1CCOC[C@H]1C ZINC001316435182 1066285151 /nfs/dbraw/zinc/28/51/51/1066285151.db2.gz VCSFPJXJZKDDLP-GGPKGHCWSA-N 1 2 480.078 4.124 20 0 JIADLO CSC[C@@H]1CCCN1c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001316435181 1066285315 /nfs/dbraw/zinc/28/53/15/1066285315.db2.gz VCSFPJXJZKDDLP-BJLQDIEVSA-N 1 2 480.078 4.124 20 0 JIADLO CSC[C@@H]1CCCN1c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CC[N@H+]1CCOC[C@@H]1C ZINC001316435181 1066285342 /nfs/dbraw/zinc/28/53/42/1066285342.db2.gz VCSFPJXJZKDDLP-BJLQDIEVSA-N 1 2 480.078 4.124 20 0 JIADLO CSCC[C@H](C)N(C)c1nnc(-c2ccccn2)n1C[C@H](c1c(F)cccc1F)[NH+](C)C ZINC001316445532 1066314911 /nfs/dbraw/zinc/31/49/11/1066314911.db2.gz IGDNDEHCWJDJPT-OXJNMPFZSA-N 1 2 460.598 4.499 20 0 JIADLO CSCC[C@@H](C)N(C)c1nnc(-c2ccccn2)n1C[C@@H](c1c(F)cccc1F)[NH+](C)C ZINC001316445534 1066315208 /nfs/dbraw/zinc/31/52/08/1066315208.db2.gz IGDNDEHCWJDJPT-UZLBHIALSA-N 1 2 460.598 4.499 20 0 JIADLO CSCCCCCn1c([C@H]2CCCO2)nnc1N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC001316457802 1066348150 /nfs/dbraw/zinc/34/81/50/1066348150.db2.gz ICAQAKGVIAIKOG-HXUWFJFHSA-N 1 2 473.691 4.211 20 0 JIADLO CC[NH+](CC)Cc1csc(NC(=O)c2cccc(NS(=O)(=O)c3cc(F)ccc3C)c2)n1 ZINC001331705680 1066362152 /nfs/dbraw/zinc/36/21/52/1066362152.db2.gz XIWMEVLXUQJFDR-UHFFFAOYSA-N 1 2 476.599 4.486 20 0 JIADLO CSCCCN(C)c1nnc(-c2ccc(C)o2)n1C[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC001316466433 1066369506 /nfs/dbraw/zinc/36/95/06/1066369506.db2.gz RPPZZOQSECHJQF-SFHVURJKSA-N 1 2 461.657 4.171 20 0 JIADLO CSCCCn1c(-c2ccccc2Cl)nnc1N1CC[NH+](Cc2cnc(C)s2)CC1 ZINC001316471165 1066377561 /nfs/dbraw/zinc/37/75/61/1066377561.db2.gz CKMVBILQCXZLHI-UHFFFAOYSA-N 1 2 463.076 4.439 20 0 JIADLO CC[NH+](CC)Cc1csc(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCC[C@H](C)C3)c2)n1 ZINC001332875500 1066380913 /nfs/dbraw/zinc/38/09/13/1066380913.db2.gz IJYWVNSSLNRFHV-HNNXBMFYSA-N 1 2 485.075 4.311 20 0 JIADLO Cc1cccc(CCCn2c([C@@H](C)Oc3ccccc3F)nnc2N2CCC(CO)CC2)[nH+]1 ZINC001492525009 1066399911 /nfs/dbraw/zinc/39/99/11/1066399911.db2.gz FNNNHSPOTSTQBQ-LJQANCHMSA-N 1 2 453.562 4.102 20 0 JIADLO Cc1cccc(CCCn2c(-c3ccc(C(C)(C)C)cc3)nnc2N2CCS(=O)CC2)[nH+]1 ZINC001492525503 1066405786 /nfs/dbraw/zinc/40/57/86/1066405786.db2.gz SLKCBPVPMLMBBF-UHFFFAOYSA-N 1 2 451.640 4.148 20 0 JIADLO Cc1cccc(CCCn2c(-c3cccc(Br)c3)nnc2N(C)CC(=O)NC(C)(C)C)[nH+]1 ZINC001492525657 1066406962 /nfs/dbraw/zinc/40/69/62/1066406962.db2.gz VCFCPRBEISSPQD-UHFFFAOYSA-N 1 2 499.457 4.395 20 0 JIADLO COc1ccc(-c2nn(C[N@@H+]3CCCN4c5ccccc5C[C@H]4C3)c(=S)n2C[C@@H]2CCCO2)cc1 ZINC001335299044 1066408187 /nfs/dbraw/zinc/40/81/87/1066408187.db2.gz GRACSKQHKATBPR-UPVQGACJSA-N 1 2 491.661 4.363 20 0 JIADLO COc1ccc(-c2nn(C[N@H+]3CCCN4c5ccccc5C[C@H]4C3)c(=S)n2C[C@@H]2CCCO2)cc1 ZINC001335299044 1066408205 /nfs/dbraw/zinc/40/82/05/1066408205.db2.gz GRACSKQHKATBPR-UPVQGACJSA-N 1 2 491.661 4.363 20 0 JIADLO Cc1cccc(CCCn2c(-c3cc(Br)cn3C)nnc2N2C[C@H](C)OC(C)(C)C2)[nH+]1 ZINC001492525801 1066412349 /nfs/dbraw/zinc/41/23/49/1066412349.db2.gz YMFHUUFDIWRUNE-KRWDZBQOSA-N 1 2 487.446 4.386 20 0 JIADLO Cc1cccc(CCCn2c([C@@H]3CCCOC3)nnc2N2CCC[C@@H](CNC(=O)OC(C)(C)C)C2)[nH+]1 ZINC001492525831 1066412719 /nfs/dbraw/zinc/41/27/19/1066412719.db2.gz IPZSLCOZSNPSCL-FCHUYYIVSA-N 1 2 498.672 4.249 20 0 JIADLO C[C@@H]1CN(c2nnc(-c3ccc(Br)cc3)n2Cc2ccc(N(C)C)[nH+]c2)C[C@@H]1F ZINC001316488318 1066414776 /nfs/dbraw/zinc/41/47/76/1066414776.db2.gz IGITUPSQASJLKT-KDOFPFPSSA-N 1 2 459.367 4.011 20 0 JIADLO Cc1cccc(CCCn2c(CC(C)C)nnc2N2CCC[C@H](NC(=O)OC(C)(C)C)C2)[nH+]1 ZINC001492526697 1066416417 /nfs/dbraw/zinc/41/64/17/1066416417.db2.gz IRRBWEMODFYTOA-NRFANRHFSA-N 1 2 456.635 4.306 20 0 JIADLO COc1ccc(-c2cc(NC(=O)NC[C@@H]3C[N@H+](Cc4ccccc4)CCO3)ccc2OC)cc1 ZINC001337395749 1066478668 /nfs/dbraw/zinc/47/86/68/1066478668.db2.gz KSIPUQNAVZQXKD-XMMPIXPASA-N 1 2 461.562 4.393 20 0 JIADLO COc1ccc(-c2cc(NC(=O)NC[C@@H]3C[N@@H+](Cc4ccccc4)CCO3)ccc2OC)cc1 ZINC001337395749 1066478686 /nfs/dbraw/zinc/47/86/86/1066478686.db2.gz KSIPUQNAVZQXKD-XMMPIXPASA-N 1 2 461.562 4.393 20 0 JIADLO Cc1cccc([C@@H](Cn2c(CC(C)C)nnc2N2CCO[C@H](C(C)(C)C)C2)[NH+]2CCOCC2)c1 ZINC001492481325 1066627233 /nfs/dbraw/zinc/62/72/33/1066627233.db2.gz VYBMHBAXAXXIBS-RPWUZVMVSA-N 1 2 469.674 4.110 20 0 JIADLO CCN(CC)S(=O)(=O)c1cccc(-c2nn(C[N@@H+]3CC[C@H]4CCCC[C@H]4C3)c(=S)n2C)c1 ZINC001317700905 1066636175 /nfs/dbraw/zinc/63/61/75/1066636175.db2.gz WBYJCUOHIQOOSR-QUCCMNQESA-N 1 2 477.700 4.118 20 0 JIADLO CCN(CC)S(=O)(=O)c1cccc(-c2nn(C[N@H+]3CC[C@H]4CCCC[C@H]4C3)c(=S)n2C)c1 ZINC001317700905 1066636181 /nfs/dbraw/zinc/63/61/81/1066636181.db2.gz WBYJCUOHIQOOSR-QUCCMNQESA-N 1 2 477.700 4.118 20 0 JIADLO NC(=O)COC1CC[NH+](Cn2cc(-c3ccc(Cl)cc3)n(Cc3ccccc3)c2=S)CC1 ZINC001345054917 1066639069 /nfs/dbraw/zinc/63/90/69/1066639069.db2.gz VLPBFMLNXJJYQX-UHFFFAOYSA-N 1 2 471.026 4.312 20 0 JIADLO Cc1ccc(NS(=O)(=O)c2ccsc2C(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2C)cc1 ZINC001345717620 1066646715 /nfs/dbraw/zinc/64/67/15/1066646715.db2.gz IUIGBBJEJDJMEP-UHFFFAOYSA-N 1 2 484.647 4.170 20 0 JIADLO O=C(NC[C@H]1C[N@H+](Cc2ccccc2)CCO1)[C@H](Oc1ccc(Cl)cc1)c1ccccc1 ZINC001347776339 1066697740 /nfs/dbraw/zinc/69/77/40/1066697740.db2.gz KCKRGTWXSPBBKF-LOSJGSFVSA-N 1 2 450.966 4.477 20 0 JIADLO O=C(NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1)[C@H](Oc1ccc(Cl)cc1)c1ccccc1 ZINC001347776339 1066697742 /nfs/dbraw/zinc/69/77/42/1066697742.db2.gz KCKRGTWXSPBBKF-LOSJGSFVSA-N 1 2 450.966 4.477 20 0 JIADLO O=C(NCc1ccccc1C[NH+]1CCOCC1)c1cnc2c(c1)c(C1CC1)nn2-c1ccccc1 ZINC001317813855 1066703841 /nfs/dbraw/zinc/70/38/41/1066703841.db2.gz RCQVJYNTTHIKSM-UHFFFAOYSA-N 1 2 467.573 4.060 20 0 JIADLO O=C(Nc1nc(C[NH+]2CCCCC2)cs1)c1nn(-c2ccccc2F)cc1Br ZINC001317858178 1066736876 /nfs/dbraw/zinc/73/68/76/1066736876.db2.gz HREYAJNLOCORGT-UHFFFAOYSA-N 1 2 464.364 4.469 20 0 JIADLO CCCCS(=O)(=O)c1ccc(C(=O)NC[C@@H](c2ccc(OC)cc2)[NH+]2CCCCC2)cc1 ZINC001350103532 1066918161 /nfs/dbraw/zinc/91/81/61/1066918161.db2.gz XMDNEIGFUCZRBY-DEOSSOPVSA-N 1 2 458.624 4.226 20 0 JIADLO O=C(CCOc1ccccc1)N1CCC(C(=O)Nc2ccc3nc(C[NH+]4CCCCC4)[nH]c3c2)CC1 ZINC001318210410 1066960317 /nfs/dbraw/zinc/96/03/17/1066960317.db2.gz PMOPJMYLNXBYMQ-UHFFFAOYSA-N 1 2 489.620 4.195 20 0 JIADLO Cc1nc2scc(-c3ccccc3)c2c(NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)n1 ZINC001318220715 1066968259 /nfs/dbraw/zinc/96/82/59/1066968259.db2.gz GHKIQKAYDRMGEB-UHFFFAOYSA-N 1 2 458.591 4.213 20 0 JIADLO COc1ccc(CCC(=O)Nc2ccc3nc(C[NH+]4CCCCC4)[nH]c3c2)c(OC)c1OC ZINC001318230037 1066973469 /nfs/dbraw/zinc/97/34/69/1066973469.db2.gz QOOMZZXIBNJKMG-UHFFFAOYSA-N 1 2 452.555 4.146 20 0 JIADLO Cc1sc2nc(CCC(=O)Nc3ccc4nc(C[NH+]5CCCCC5)[nH]c4c3)[nH]c(=O)c2c1C ZINC001318261349 1066988746 /nfs/dbraw/zinc/98/87/46/1066988746.db2.gz ASFPUHFPLPHYPB-UHFFFAOYSA-N 1 2 464.595 4.447 20 0 JIADLO O=C(Nc1ccc2nc(C[NH+]3CCCCC3)[nH]c2c1)[C@@H]1CCCN(C(=O)Nc2ccccc2)C1 ZINC001318261494 1066989497 /nfs/dbraw/zinc/98/94/97/1066989497.db2.gz FAQCNYYAJGPOKG-LJQANCHMSA-N 1 2 460.582 4.431 20 0 JIADLO Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)C(=O)Nc1ccccc1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC001350762718 1066998493 /nfs/dbraw/zinc/99/84/93/1066998493.db2.gz NZKDKCSXZJRRKP-JYJNAYRXSA-N 1 2 452.521 4.414 20 0 JIADLO CCC(CC)n1nccc1C(=O)NCc1cc[nH+]c(N2CCN(c3ccc(F)cc3)CC2)c1 ZINC001350784662 1067001368 /nfs/dbraw/zinc/00/13/68/1067001368.db2.gz ZZUOKXLXSCIBTB-UHFFFAOYSA-N 1 2 450.562 4.035 20 0 JIADLO COc1cc[nH+]cc1Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N(C)[C@@H]1CCC[C@H](C)C1 ZINC001300686079 1067028351 /nfs/dbraw/zinc/02/83/51/1067028351.db2.gz BSDNBNJNJAVHJY-LAUBAEHRSA-N 1 2 483.016 4.328 20 0 JIADLO Cc1ccc(C2N=NC(=S)N2CC(=O)Nc2ccc3nc(C[NH+]4CCCCC4)[nH]c3c2)cc1 ZINC001318416750 1067039589 /nfs/dbraw/zinc/03/95/89/1067039589.db2.gz ATIJESWTUUSEBA-UHFFFAOYSA-N 1 2 461.595 4.043 20 0 JIADLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)NCc1cccc(NC(=O)c2ccc(F)cc2)c1 ZINC001351087585 1067043437 /nfs/dbraw/zinc/04/34/37/1067043437.db2.gz HWCJSYIDOSSVET-UHFFFAOYSA-N 1 2 452.436 4.331 20 0 JIADLO COc1cc[nH+]cc1Cn1c(-c2cccnc2)nnc1N1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC001300693160 1067043555 /nfs/dbraw/zinc/04/35/55/1067043555.db2.gz PPZMYMJRHSRTRP-UHFFFAOYSA-N 1 2 472.393 4.113 20 0 JIADLO COc1cc[nH+]cc1Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N(C)[C@@H]1CCSC1 ZINC001300693637 1067045747 /nfs/dbraw/zinc/04/57/47/1067045747.db2.gz IKVUBEJDUIKFGD-CRAIPNDOSA-N 1 2 460.003 4.465 20 0 JIADLO COc1cc[nH+]cc1Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCO[C@@H](C(C)(C)C)C1 ZINC001300695022 1067050887 /nfs/dbraw/zinc/05/08/87/1067050887.db2.gz IMEJIHFEZGDSFY-HSZRJFAPSA-N 1 2 465.598 4.177 20 0 JIADLO COc1cc[nH+]cc1Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 ZINC001300696484 1067053868 /nfs/dbraw/zinc/05/38/68/1067053868.db2.gz CJRYVEZCYXVAPN-UHFFFAOYSA-N 1 2 499.015 4.031 20 0 JIADLO COc1cc[nH+]cc1Cn1c(N(C)Cc2ccc(Cl)c(F)c2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001300702034 1067062928 /nfs/dbraw/zinc/06/29/28/1067062928.db2.gz MFMVPJYNFXYODV-DEOSSOPVSA-N 1 2 489.979 4.200 20 0 JIADLO COc1cc[nH+]cc1Cn1c(N2CCC[C@@H](C(=O)c3ccc(F)cc3)C2)nnc1C(C)(C)C ZINC001300702057 1067062955 /nfs/dbraw/zinc/06/29/55/1067062955.db2.gz NDIAKJFMSKZTNM-GOSISDBHSA-N 1 2 451.546 4.266 20 0 JIADLO COc1cc[nH+]cc1Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCO[C@H](C(C)C)C1 ZINC001300702062 1067063748 /nfs/dbraw/zinc/06/37/48/1067063748.db2.gz NEOLFWOZNGGJIJ-DEOSSOPVSA-N 1 2 479.625 4.468 20 0 JIADLO COc1cc[nH+]cc1Cn1c(N(C)CCc2ccc(Cl)cc2)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001300702352 1067064350 /nfs/dbraw/zinc/06/43/50/1067064350.db2.gz PUDIQQFWTOJOCR-RUZDIDTESA-N 1 2 486.016 4.103 20 0 JIADLO COc1cc[nH+]cc1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC(C)(C)OC(C)(C)C1 ZINC001300702344 1067064653 /nfs/dbraw/zinc/06/46/53/1067064653.db2.gz PLRFPSPVNKEOOL-UYAOXDASSA-N 1 2 457.619 4.042 20 0 JIADLO CC(C)(C)n1cccc(C(=O)N2CC[NH+](Cc3ccc(-c4ccccc4F)s3)CC2)c1=O ZINC001351303415 1067073394 /nfs/dbraw/zinc/07/33/94/1067073394.db2.gz XUYGYEMYDNPBGE-UHFFFAOYSA-N 1 2 453.583 4.429 20 0 JIADLO O=C(NCc1cc[nH+]c(N2CCN(c3ccc(F)cc3)CC2)c1)c1ccc(Cn2cccc2)cc1 ZINC001321566573 1067168833 /nfs/dbraw/zinc/16/88/33/1067168833.db2.gz UQCFAONPJNWRPG-UHFFFAOYSA-N 1 2 469.564 4.327 20 0 JIADLO O=C(NCCc1coc(-c2ccccc2)n1)N1CC[NH+](Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC001322350233 1067280688 /nfs/dbraw/zinc/28/06/88/1067280688.db2.gz OTQGQKSOYYDKDP-UHFFFAOYSA-N 1 2 474.483 4.310 20 0 JIADLO C[C@H](c1cccc(NC(=O)c2nn(-c3ccccc3F)cc2Br)c1)[NH+]1CCOCC1 ZINC001322508739 1067300509 /nfs/dbraw/zinc/30/05/09/1067300509.db2.gz DTHNWZBVXQIZIZ-OAHLLOKOSA-N 1 2 473.346 4.419 20 0 JIADLO O=C(NCCc1ccn(-c2ccccc2)n1)[C@@H](c1cccc(Br)c1)[NH+]1CCCC1 ZINC001352219352 1067311942 /nfs/dbraw/zinc/31/19/42/1067311942.db2.gz XKIKXWYMPPFEJA-JOCHJYFZSA-N 1 2 453.384 4.131 20 0 JIADLO COc1ccc(-c2nnc(N3C[C@@H](C)O[C@@H](C(F)(F)F)C3)n2CCCNc2cccc[nH+]2)cc1 ZINC001300025361 1067395553 /nfs/dbraw/zinc/39/55/53/1067395553.db2.gz TUTOHSGVOKKUFW-VQIMIIECSA-N 1 2 476.503 4.007 20 0 JIADLO COc1ccc(-c2nnc(N3C[C@@H](C)CC[C@@H]3C)n2CCCNc2cccc[nH+]2)c(OC)c1 ZINC001300026446 1067398208 /nfs/dbraw/zinc/39/82/08/1067398208.db2.gz ZABWFYSRAYVCSN-OALUTQOASA-N 1 2 450.587 4.484 20 0 JIADLO COc1ccc(-c2nnc(N3CC=C(C(F)(F)F)CC3)n2Cc2ccc(N(C)C)[nH+]c2)cc1 ZINC001300026816 1067399261 /nfs/dbraw/zinc/39/92/61/1067399261.db2.gz FQKPZNNXTJXLKE-UHFFFAOYSA-N 1 2 458.488 4.162 20 0 JIADLO CC[NH+](CC)Cc1nc(C2(NC(=O)CS[C@H](C)c3nc4ccccc4[nH]3)CCCC2)no1 ZINC001355404687 1067450820 /nfs/dbraw/zinc/45/08/20/1067450820.db2.gz JFAUIEWCOJJZHV-MRXNPFEDSA-N 1 2 456.616 4.168 20 0 JIADLO CCOC(=O)c1c(-c2ccc(C)cc2C)csc1NC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001355460021 1067473249 /nfs/dbraw/zinc/47/32/49/1067473249.db2.gz VVEJAIFYHGNVBD-NQIIRXRSSA-N 1 2 472.607 4.027 20 0 JIADLO O=C(N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1)c1csc(Cc2cccc(C(F)(F)F)c2)n1 ZINC001355606061 1067524478 /nfs/dbraw/zinc/52/44/78/1067524478.db2.gz TVKMASCCXHRNRK-MJGOQNOKSA-N 1 2 453.530 4.126 20 0 JIADLO C[C@@H](Cc1cnc2ccccc2n1)C(=O)N1CC[NH+](Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC001352640170 1067596492 /nfs/dbraw/zinc/59/64/92/1067596492.db2.gz PUOJEABYQQFKPX-KRWDZBQOSA-N 1 2 458.484 4.051 20 0 JIADLO Cc1ccnc(C(=O)N2CC[NH+](Cc3ccc(-c4ccc(Br)cc4)s3)CC2)n1 ZINC001352670071 1067618614 /nfs/dbraw/zinc/61/86/14/1067618614.db2.gz JSOWHFOFCQAVHC-UHFFFAOYSA-N 1 2 457.397 4.234 20 0 JIADLO C[NH+]1CCN(C(=O)c2ccccc2NC(=O)/C=C(/c2ccc(Cl)cc2)C(F)(F)F)CC1 ZINC001352819241 1067741583 /nfs/dbraw/zinc/74/15/83/1067741583.db2.gz ZNWSFCWDZGZFAU-JXAWBTAJSA-N 1 2 451.876 4.312 20 0 JIADLO Cc1ccc(NC(=S)N2Cc3c[nH+]cn3C[C@H](COc3cccnc3)C2)c(Br)c1 ZINC001200146674 1067755427 /nfs/dbraw/zinc/75/54/27/1067755427.db2.gz VPFSLJKINUKDKH-MRXNPFEDSA-N 1 2 472.412 4.257 20 0 JIADLO O=C(NCc1ccccc1Cn1cccn1)[C@H](c1cccc(Br)c1)[NH+]1CCCC1 ZINC001356562168 1067779392 /nfs/dbraw/zinc/77/93/92/1067779392.db2.gz OXQUAEXRTVLWQD-QFIPXVFZSA-N 1 2 453.384 4.147 20 0 JIADLO O=C(Nc1ccc(Oc2ccccc2C(F)(F)F)cc1)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001357138241 1067809173 /nfs/dbraw/zinc/80/91/73/1067809173.db2.gz QSCFUTUZOYHGAG-NQIIRXRSSA-N 1 2 450.457 4.316 20 0 JIADLO CC[C@H](C)[C@@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)c1ccn(-c2ccc(F)cc2F)n1 ZINC001357245395 1067823482 /nfs/dbraw/zinc/82/34/82/1067823482.db2.gz CKTDHASHFMXBRQ-XDHUDOTRSA-N 1 2 453.537 4.227 20 0 JIADLO CC[C@H](C)[C@@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)c1ccn(-c2ccc(F)cc2F)n1 ZINC001357245395 1067823485 /nfs/dbraw/zinc/82/34/85/1067823485.db2.gz CKTDHASHFMXBRQ-XDHUDOTRSA-N 1 2 453.537 4.227 20 0 JIADLO Cc1cccc(Cl)c1CC(=O)NCc1cc[nH+]c(N2CCN(c3ccc(F)cc3)CC2)c1 ZINC001357554202 1067869202 /nfs/dbraw/zinc/86/92/02/1067869202.db2.gz ZREFVXWWAWPQPY-UHFFFAOYSA-N 1 2 452.961 4.368 20 0 JIADLO O=C(C[NH+]1CCC(NC(=O)C(F)(F)c2cccc(Cl)c2Cl)CC1)Nc1ccccc1 ZINC001357582176 1067873957 /nfs/dbraw/zinc/87/39/57/1067873957.db2.gz JBOWRUDWGWVMCO-UHFFFAOYSA-N 1 2 456.320 4.305 20 0 JIADLO CC(=O)Nc1ccc(C(=O)N2CC[NH+](Cc3ccc(OC(F)(F)F)cc3)CC2)cc1Cl ZINC001353138170 1067878138 /nfs/dbraw/zinc/87/81/38/1067878138.db2.gz XMDRCROBPIQWLF-UHFFFAOYSA-N 1 2 455.864 4.155 20 0 JIADLO C[C@H](c1cccc(NC(=O)N[C@H]2CCCN(c3ccccc3Cl)C2=O)c1)[NH+]1CCOCC1 ZINC001200234027 1067878467 /nfs/dbraw/zinc/87/84/67/1067878467.db2.gz YBHUJPONMZCEQI-UTKZUKDTSA-N 1 2 456.974 4.050 20 0 JIADLO COc1ccc(C[NH+]2CCN(c3nnc(CC(C)C)n3C[C@@H]3CCCO[C@@H]3C(C)C)CC2)cc1F ZINC001300232268 1067918236 /nfs/dbraw/zinc/91/82/36/1067918236.db2.gz QUJZJIMQVAKGGN-BKMJKUGQSA-N 1 2 487.664 4.398 20 0 JIADLO COc1ccc(C[NH+]2CCN(c3nnc(CC(C)(C)C)n3C[C@@H]3CCC[C@H]3OC)CC2)cc1F ZINC001300232323 1067919259 /nfs/dbraw/zinc/91/92/59/1067919259.db2.gz SIAPZPQBKFXQBI-RBBKRZOGSA-N 1 2 473.637 4.152 20 0 JIADLO COc1ccc(Cl)cc1CN(C)c1nnc(Cc2ccccn2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001300236864 1067931299 /nfs/dbraw/zinc/93/12/99/1067931299.db2.gz APPWLYUGTRYHBU-UHFFFAOYSA-N 1 2 478.000 4.072 20 0 JIADLO COc1ccc(F)cc1C[NH+]1CCN(c2nnc(-c3ccc[nH]3)n2CCSCC(F)(F)F)CC1 ZINC001300245756 1067971327 /nfs/dbraw/zinc/97/13/27/1067971327.db2.gz ZJUWFXHHSZAZFG-UHFFFAOYSA-N 1 2 498.550 4.039 20 0 JIADLO CC(C)(C)OC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC001358238547 1068049381 /nfs/dbraw/zinc/04/93/81/1068049381.db2.gz XLLRKEHRDQAHPX-HSZRJFAPSA-N 1 2 459.550 4.106 20 0 JIADLO Cc1ccc(C[N@@H+]2CCO[C@@H](CNC(=O)Nc3cc(NC(=O)C(C)(C)C)ccc3C)C2)cc1 ZINC001200315004 1068054522 /nfs/dbraw/zinc/05/45/22/1068054522.db2.gz PPUFQBKYSCDGKH-QFIPXVFZSA-N 1 2 452.599 4.311 20 0 JIADLO Cc1ccc(C[N@H+]2CCO[C@@H](CNC(=O)Nc3cc(NC(=O)C(C)(C)C)ccc3C)C2)cc1 ZINC001200315004 1068054525 /nfs/dbraw/zinc/05/45/25/1068054525.db2.gz PPUFQBKYSCDGKH-QFIPXVFZSA-N 1 2 452.599 4.311 20 0 JIADLO CCN(CC)C(=O)Cn1ccc2cc(NC(=O)Cn3c(C)[nH+]c4cc(F)c(F)cc43)ccc21 ZINC001358372815 1068077106 /nfs/dbraw/zinc/07/71/06/1068077106.db2.gz PMHLRGSKYDWSRQ-UHFFFAOYSA-N 1 2 453.493 4.085 20 0 JIADLO COc1ccc(OCc2nnc(N3CCC[C@@H](C(C)C)C3)n2Cc2ccc(N(C)C)[nH+]c2)cc1 ZINC001300285128 1068083057 /nfs/dbraw/zinc/08/30/57/1068083057.db2.gz TYRZOOMPHZVSHS-OAQYLSRUSA-N 1 2 464.614 4.247 20 0 JIADLO CC(=O)Nc1cccc(CC(=O)N2CC[NH+](Cc3ccc(-c4ccccc4F)s3)CC2)c1 ZINC001353538352 1068303639 /nfs/dbraw/zinc/30/36/39/1068303639.db2.gz JPXGIWMODUTZGR-UHFFFAOYSA-N 1 2 451.567 4.400 20 0 JIADLO O=C(CCc1c2ccccc2[nH]c1-c1ccc(F)cc1)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000520915512 1068329078 /nfs/dbraw/zinc/32/90/78/1068329078.db2.gz XBGKXBYITGFBIB-UHFFFAOYSA-N 1 2 461.541 4.074 20 0 JIADLO O=C(c1cccc(C[NH2+]Cc2csc(COc3ccc(Cl)cc3)n2)c1)N1CCOCC1 ZINC001474122192 1068356902 /nfs/dbraw/zinc/35/69/02/1068356902.db2.gz ZCVYZWXOTBDORP-UHFFFAOYSA-N 1 2 457.983 4.138 20 0 JIADLO Cc1nc(NCc2cccc(C(=O)N3CCCC[C@@H]3c3nnc(CC(F)(F)F)o3)c2)cc[nH+]1 ZINC000622600498 1068366628 /nfs/dbraw/zinc/36/66/28/1068366628.db2.gz ZXJXVMLUZRKFKN-QGZVFWFLSA-N 1 2 460.460 4.252 20 0 JIADLO Cc1cccc(NC(=O)CN(C[C@H]2CCCO2)C(=O)[C@H](c2ccc(Cl)cc2)[NH+](C)C)c1C ZINC001353719964 1068508433 /nfs/dbraw/zinc/50/84/33/1068508433.db2.gz LNGQCSSZDLDCKG-QPPBQGQZSA-N 1 2 458.002 4.206 20 0 JIADLO CC[NH+](CC)Cc1csc(NC(=O)c2ccc(OC)c(S(=O)(=O)N[C@H]3CCCC[C@@H]3C)c2)n1 ZINC001353719836 1068508867 /nfs/dbraw/zinc/50/88/67/1068508867.db2.gz QMQUZXLZWBKVEB-LPHOPBHVSA-N 1 2 494.683 4.103 20 0 JIADLO CSc1ccc([C@H](CNC(=O)[C@H](CC(C)C)NC(C)=O)[N@@H+]2CCc3sccc3C2)cc1 ZINC001353919121 1068752622 /nfs/dbraw/zinc/75/26/22/1068752622.db2.gz MBTAGPFJOSTRBN-VXKWHMMOSA-N 1 2 459.681 4.236 20 0 JIADLO CSc1ccc([C@H](CNC(=O)[C@H](CC(C)C)NC(C)=O)[N@H+]2CCc3sccc3C2)cc1 ZINC001353919121 1068752632 /nfs/dbraw/zinc/75/26/32/1068752632.db2.gz MBTAGPFJOSTRBN-VXKWHMMOSA-N 1 2 459.681 4.236 20 0 JIADLO CC(C)c1[nH]cc(CNC(=O)CSc2nnc(-c3ccccc3F)n2-c2ccccc2)[nH+]1 ZINC001472091898 1068766874 /nfs/dbraw/zinc/76/68/74/1068766874.db2.gz BYFNADHDNQOPLT-UHFFFAOYSA-N 1 2 450.543 4.328 20 0 JIADLO CC(C)c1[nH]c(CNC(=O)CSc2nnc(-c3ccccc3F)n2-c2ccccc2)c[nH+]1 ZINC001472091898 1068766885 /nfs/dbraw/zinc/76/68/85/1068766885.db2.gz BYFNADHDNQOPLT-UHFFFAOYSA-N 1 2 450.543 4.328 20 0 JIADLO COc1ccccc1-c1nnc(N(C)CC[NH+]2CCOCC2)n1C[C@@H]1CCCC[C@@H]1C(F)(F)F ZINC001300476472 1068826493 /nfs/dbraw/zinc/82/64/93/1068826493.db2.gz YEUYEDUIFKXGTO-ICSRJNTNSA-N 1 2 481.563 4.091 20 0 JIADLO CCN(C(=O)c1nscc1Br)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC001354071827 1068878813 /nfs/dbraw/zinc/87/88/13/1068878813.db2.gz ZOCKKLYAPDEYSF-UHFFFAOYSA-N 1 2 452.422 4.259 20 0 JIADLO CCOc1cc(C[N@@H+]2CC3(CCOCC3)[C@H]2c2cnn(CC(C)C)c2)ccc1O[C@H](C)C(=O)N(C)C ZINC000849478638 1069048339 /nfs/dbraw/zinc/04/83/39/1069048339.db2.gz KRNARECEUJOWEZ-QFQXNSOFSA-N 1 2 498.668 4.147 20 0 JIADLO CCOc1cc(C[N@H+]2CC3(CCOCC3)[C@H]2c2cnn(CC(C)C)c2)ccc1O[C@H](C)C(=O)N(C)C ZINC000849478638 1069048353 /nfs/dbraw/zinc/04/83/53/1069048353.db2.gz KRNARECEUJOWEZ-QFQXNSOFSA-N 1 2 498.668 4.147 20 0 JIADLO C[C@@H]1C[N@H+](CCNC(=O)c2ccc(NC(=O)c3cc(Cl)cc(Cl)c3)cc2)[C@H](C)CO1 ZINC001300610853 1069216571 /nfs/dbraw/zinc/21/65/71/1069216571.db2.gz JJPNPAGRXHABBA-HUUCEWRRSA-N 1 2 450.366 4.085 20 0 JIADLO C[C@@H]1C[N@@H+](CCNC(=O)c2ccc(NC(=O)c3cc(Cl)cc(Cl)c3)cc2)[C@H](C)CO1 ZINC001300610853 1069216577 /nfs/dbraw/zinc/21/65/77/1069216577.db2.gz JJPNPAGRXHABBA-HUUCEWRRSA-N 1 2 450.366 4.085 20 0 JIADLO Cc1nc(C[N@@H+]2CCOC[C@]3(CCCN(C(=S)Nc4cc(F)cc(F)c4)C3)C2)cs1 ZINC001200666023 1069220664 /nfs/dbraw/zinc/22/06/64/1069220664.db2.gz YUMOAEGRSSAIDL-OAQYLSRUSA-N 1 2 452.596 4.041 20 0 JIADLO Cc1nc(C[N@H+]2CCOC[C@]3(CCCN(C(=S)Nc4cc(F)cc(F)c4)C3)C2)cs1 ZINC001200666023 1069220675 /nfs/dbraw/zinc/22/06/75/1069220675.db2.gz YUMOAEGRSSAIDL-OAQYLSRUSA-N 1 2 452.596 4.041 20 0 JIADLO CCCCS(=O)(=O)Nc1ccc(NC(=O)N2CC[NH+]([C@H](C)c3ccsc3)CC2)cc1 ZINC001200679536 1069261562 /nfs/dbraw/zinc/26/15/62/1069261562.db2.gz ZYLFTTXPGAUTEY-QGZVFWFLSA-N 1 2 450.630 4.201 20 0 JIADLO CCOC(=O)/C=C\c1cccnc1N1CCC2(CC1)c1ncc(-c3ccccc3)n1CC[N@H+]2CC ZINC001164663140 719346286 /nfs/dbraw/zinc/34/62/86/719346286.db2.gz FDJPMKSVALHXPK-SEYXRHQNSA-N 1 2 471.605 4.353 20 0 JIADLO CCOC(=O)/C=C\c1cccnc1N1CCC2(CC1)c1ncc(-c3ccccc3)n1CC[N@@H+]2CC ZINC001164663140 719346287 /nfs/dbraw/zinc/34/62/87/719346287.db2.gz FDJPMKSVALHXPK-SEYXRHQNSA-N 1 2 471.605 4.353 20 0 JIADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nc3ncccc3nc1Cl)CC2 ZINC001164663807 719349715 /nfs/dbraw/zinc/34/97/15/719349715.db2.gz MKVQCWWEMHRSLQ-UHFFFAOYSA-N 1 2 459.985 4.373 20 0 JIADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nc3ncccc3nc1Cl)CC2 ZINC001164663807 719349718 /nfs/dbraw/zinc/34/97/18/719349718.db2.gz MKVQCWWEMHRSLQ-UHFFFAOYSA-N 1 2 459.985 4.373 20 0 JIADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ncnc3cc(OC)ccc31)CC2 ZINC001164663891 719350726 /nfs/dbraw/zinc/35/07/26/719350726.db2.gz OKJYFRYZHOWIRD-UHFFFAOYSA-N 1 2 454.578 4.333 20 0 JIADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ncnc3cc(OC)ccc31)CC2 ZINC001164663891 719350728 /nfs/dbraw/zinc/35/07/28/719350728.db2.gz OKJYFRYZHOWIRD-UHFFFAOYSA-N 1 2 454.578 4.333 20 0 JIADLO CCOC(=O)c1cc2ccc(N3CCC4(CC3)c3ncc(-c5ccccc5)n3CC[N@H+]4CC)[nH]c-2n1 ZINC001164659741 719352705 /nfs/dbraw/zinc/35/27/05/719352705.db2.gz RVPUWZGGKHRZTE-UHFFFAOYSA-N 1 2 484.604 4.434 20 0 JIADLO CCOC(=O)c1cc2ccc(N3CCC4(CC3)c3ncc(-c5ccccc5)n3CC[N@@H+]4CC)[nH]c-2n1 ZINC001164659741 719352707 /nfs/dbraw/zinc/35/27/07/719352707.db2.gz RVPUWZGGKHRZTE-UHFFFAOYSA-N 1 2 484.604 4.434 20 0 JIADLO O=C(NCc1ccccc1)c1cccnc1N1CCC2(CC1)COCC[N@H+]2Cc1ccc(F)cc1 ZINC001164671394 719495757 /nfs/dbraw/zinc/49/57/57/719495757.db2.gz FISGRGIYPXNPRU-UHFFFAOYSA-N 1 2 474.580 4.022 20 0 JIADLO O=C(NCc1ccccc1)c1cccnc1N1CCC2(CC1)COCC[N@@H+]2Cc1ccc(F)cc1 ZINC001164671394 719495764 /nfs/dbraw/zinc/49/57/64/719495764.db2.gz FISGRGIYPXNPRU-UHFFFAOYSA-N 1 2 474.580 4.022 20 0 JIADLO COc1cc2nc(Cl)c(N3CCC4(CC3)COCC[N@@H+]4Cc3ccc(F)cc3)nc2cc1OC ZINC001164670155 719510349 /nfs/dbraw/zinc/51/03/49/719510349.db2.gz BLOJOCMGWJEQFU-UHFFFAOYSA-N 1 2 486.975 4.311 20 0 JIADLO COc1cc2nc(Cl)c(N3CCC4(CC3)COCC[N@H+]4Cc3ccc(F)cc3)nc2cc1OC ZINC001164670155 719510357 /nfs/dbraw/zinc/51/03/57/719510357.db2.gz BLOJOCMGWJEQFU-UHFFFAOYSA-N 1 2 486.975 4.311 20 0 JIADLO Fc1ccc(C[N@@H+]2CCOCC23CCN(c2cncc(Oc4cccc(F)c4)n2)CC3)cc1 ZINC001164673969 719516487 /nfs/dbraw/zinc/51/64/87/719516487.db2.gz WCXLYAURIKUERJ-UHFFFAOYSA-N 1 2 452.505 4.419 20 0 JIADLO Fc1ccc(C[N@H+]2CCOCC23CCN(c2cncc(Oc4cccc(F)c4)n2)CC3)cc1 ZINC001164673969 719516493 /nfs/dbraw/zinc/51/64/93/719516493.db2.gz WCXLYAURIKUERJ-UHFFFAOYSA-N 1 2 452.505 4.419 20 0 JIADLO Cc1cc(Cl)nc(C(F)(F)N2CCC3(CCn4c(-c5ccc(C(N)=O)cc5)c[nH+]c43)CC2)c1 ZINC001164696377 719830144 /nfs/dbraw/zinc/83/01/44/719830144.db2.gz IVQJSSINJAVGCT-UHFFFAOYSA-N 1 2 471.939 4.493 20 0 JIADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1C(F)(F)c1ccc2nc(Cl)cc(Cl)c2c1 ZINC001164701892 719851334 /nfs/dbraw/zinc/85/13/34/719851334.db2.gz LNXVZEDIXTVWBW-QVKFZJNVSA-N 1 2 488.362 4.319 20 0 JIADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ccc2cc(OCc3ccccc3)ccc2n1 ZINC001164705110 719859287 /nfs/dbraw/zinc/85/92/87/719859287.db2.gz SWLTWRLEXFASHL-LXFBAYGMSA-N 1 2 475.589 4.047 20 0 JIADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nc2ccc(Cl)cc2c(-c2ccccc2)n1 ZINC001164708473 719867470 /nfs/dbraw/zinc/86/74/70/719867470.db2.gz ZKWPPFLYMPGROT-FQRUVTKNSA-N 1 2 480.996 4.183 20 0 JIADLO CC(=O)NC[C@H]1c2[nH+]cn(C(C)C)c2CCN1C(F)(F)c1cnc(Cl)c(-c2cccnc2)c1 ZINC001164726205 720316159 /nfs/dbraw/zinc/31/61/59/720316159.db2.gz YMAHXYWZLZHSFB-FQEVSTJZSA-N 1 2 474.943 4.359 20 0 JIADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4nc(Cl)cc5cccc(C)c54)CC3)C2=O)cs1 ZINC001164822257 720384893 /nfs/dbraw/zinc/38/48/93/720384893.db2.gz KZMXUWSRSQQCSO-UHFFFAOYSA-N 1 2 470.042 4.275 20 0 JIADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4nc(Cl)cc5cccc(C)c54)CC3)C2=O)cs1 ZINC001164822257 720384896 /nfs/dbraw/zinc/38/48/96/720384896.db2.gz KZMXUWSRSQQCSO-UHFFFAOYSA-N 1 2 470.042 4.275 20 0 JIADLO CCOC(=O)c1sc2nc(C[NH+]3CCCCC3)nc(N3CC[C@@H](O)[C@@H]3Cc3ccccc3)c2c1C ZINC001164833531 720491656 /nfs/dbraw/zinc/49/16/56/720491656.db2.gz PRKHUUAACAHFJT-LEWJYISDSA-N 1 2 494.661 4.345 20 0 JIADLO Fc1ccc2nc(C(F)(F)N3Cc4c[nH+]cn4C[C@@H](COCC4CC4)C3)nc(Cl)c2c1 ZINC001164758105 720976748 /nfs/dbraw/zinc/97/67/48/720976748.db2.gz TUWXNPAAXQXAEG-CQSZACIVSA-N 1 2 451.880 4.227 20 0 JIADLO COc1ccc2nc(C(F)(F)N3Cc4c[nH+]cn4C[C@H](COCC4CC4)C3)nc(Cl)c2c1 ZINC001164757016 720980207 /nfs/dbraw/zinc/98/02/07/720980207.db2.gz LXOLNWYPDQIJLX-HNNXBMFYSA-N 1 2 463.916 4.096 20 0 JIADLO CSc1ccc(C(F)(F)N2Cc3c[nH+]cn3C[C@H](COc3cccnc3)C2)nc1Cl ZINC001164767094 721274325 /nfs/dbraw/zinc/27/43/25/721274325.db2.gz GBGJABLDTODJKU-AWEZNQCLSA-N 1 2 451.930 4.309 20 0 JIADLO c1ccc(C[N@@H+]2CCc3ncnc(N4CCC5(CCOC[C@H]5COc5cccnc5)CC4)c3C2)cc1 ZINC001164797257 721603641 /nfs/dbraw/zinc/60/36/41/721603641.db2.gz AYCOBFJKPQMQKK-DEOSSOPVSA-N 1 2 485.632 4.132 20 0 JIADLO c1ccc(C[N@H+]2CCc3ncnc(N4CCC5(CCOC[C@H]5COc5cccnc5)CC4)c3C2)cc1 ZINC001164797257 721603642 /nfs/dbraw/zinc/60/36/42/721603642.db2.gz AYCOBFJKPQMQKK-DEOSSOPVSA-N 1 2 485.632 4.132 20 0 JIADLO FC(F)(c1cc(Cl)nc2c1CCCCC2)N1CCO[C@@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164915304 721801628 /nfs/dbraw/zinc/80/16/28/721801628.db2.gz VZSSXJVQYODWAJ-DEOSSOPVSA-N 1 2 492.998 4.052 20 0 JIADLO FC(F)(c1cc(Cl)nc2c1CCCCC2)N1CCO[C@@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164915304 721801629 /nfs/dbraw/zinc/80/16/29/721801629.db2.gz VZSSXJVQYODWAJ-DEOSSOPVSA-N 1 2 492.998 4.052 20 0 JIADLO Cc1cnc2n1CC[N@@H+](C)C21CCN(C(F)(F)c2cnc(Cl)c(-c3cccnc3)c2)CC1 ZINC001164919286 721820754 /nfs/dbraw/zinc/82/07/54/721820754.db2.gz PKWPMZSBDUIVHC-UHFFFAOYSA-N 1 2 458.944 4.288 20 0 JIADLO Cc1cnc2n1CC[N@H+](C)C21CCN(C(F)(F)c2cnc(Cl)c(-c3cccnc3)c2)CC1 ZINC001164919286 721820756 /nfs/dbraw/zinc/82/07/56/721820756.db2.gz PKWPMZSBDUIVHC-UHFFFAOYSA-N 1 2 458.944 4.288 20 0 JIADLO CCc1ccccc1Oc1nc(Cl)ncc1N1CCC2(CC1)c1[nH+]cc(C)n1CCN2C ZINC001164918232 721821762 /nfs/dbraw/zinc/82/17/62/721821762.db2.gz DKVNMAROGBJCAR-UHFFFAOYSA-N 1 2 452.990 4.431 20 0 JIADLO CCOC(=O)c1c(Cl)c2ccccc2nc1N1CCC2(CC1)C(=O)NCC[N@H+]2Cc1ccccc1 ZINC001164945842 721978345 /nfs/dbraw/zinc/97/83/45/721978345.db2.gz GQYGBGHOCWSTTN-UHFFFAOYSA-N 1 2 493.007 4.036 20 0 JIADLO CCOC(=O)c1c(Cl)c2ccccc2nc1N1CCC2(CC1)C(=O)NCC[N@@H+]2Cc1ccccc1 ZINC001164945842 721978347 /nfs/dbraw/zinc/97/83/47/721978347.db2.gz GQYGBGHOCWSTTN-UHFFFAOYSA-N 1 2 493.007 4.036 20 0 JIADLO Cc1cncc(COCc2cnc3n2CCN(c2ncnc4c2C[N@H+](Cc2ccccc2)CC4)[C@@H]3C)c1 ZINC001164965850 722062816 /nfs/dbraw/zinc/06/28/16/722062816.db2.gz MBPSRJFTDQNOPY-JOCHJYFZSA-N 1 2 495.631 4.233 20 0 JIADLO Cc1cncc(COCc2cnc3n2CCN(c2ncnc4c2C[N@@H+](Cc2ccccc2)CC4)[C@@H]3C)c1 ZINC001164965850 722062817 /nfs/dbraw/zinc/06/28/17/722062817.db2.gz MBPSRJFTDQNOPY-JOCHJYFZSA-N 1 2 495.631 4.233 20 0 JIADLO COC(=O)c1ccc(-c2ccc(N3CC[C@@H]4OCCN(Cc5csc(C)n5)[C@H]4CC3)[nH+]c2C)cc1 ZINC001164987668 722184784 /nfs/dbraw/zinc/18/47/84/722184784.db2.gz LFYSVZAYXGISIK-DQEYMECFSA-N 1 2 492.645 4.478 20 0 JIADLO CC(=O)NC1CCC(N(C)c2nnc(C(C)(C)C)n2Cc2ccc(N3CCCCCC3)[nH+]c2)CC1 ZINC001359410616 1069524562 /nfs/dbraw/zinc/52/45/62/1069524562.db2.gz IKPVCCSSDZPYEL-UHFFFAOYSA-N 1 2 481.689 4.283 20 0 JIADLO CC(C)(C)[C@@]1(C)CN(c2nnc(Cc3ccsc3)n2CCCNc2cccc[nH+]2)CCO1 ZINC001359495880 1069728178 /nfs/dbraw/zinc/72/81/78/1069728178.db2.gz AKRZKJCBMHMBLC-XMMPIXPASA-N 1 2 454.644 4.469 20 0 JIADLO CC(C)(C)Cc1nnc(N2CCC[C@H](C(F)F)C2)n1C[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001359534083 1069826929 /nfs/dbraw/zinc/82/69/29/1069826929.db2.gz OFTKHTFBCDDUIU-SFTDATJTSA-N 1 2 461.601 4.249 20 0 JIADLO CC(C)(C)Cc1nnc(N2CCC[C@H](C(F)F)C2)n1C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001359534083 1069826930 /nfs/dbraw/zinc/82/69/30/1069826930.db2.gz OFTKHTFBCDDUIU-SFTDATJTSA-N 1 2 461.601 4.249 20 0 JIADLO CC(C)c1nnc(N2CCN(c3nccc(C(C)C)n3)CC2)n1C[C@H](c1c(F)cccc1F)[NH+](C)C ZINC001359668608 1070307066 /nfs/dbraw/zinc/30/70/66/1070307066.db2.gz JFKSEHQOOQUINW-JOCHJYFZSA-N 1 2 498.626 4.223 20 0 JIADLO CC(C)c1nnc(N(C)C[C@@H](c2cccs2)[NH+]2CCOCC2)n1Cc1ccc(Cl)nc1 ZINC001359679235 1070335121 /nfs/dbraw/zinc/33/51/21/1070335121.db2.gz BJVZJFCVGDERIG-SFHVURJKSA-N 1 2 461.035 4.069 20 0 JIADLO COc1ccc(CCn2c(C(C)C)nnc2N2CCN(c3cccc[nH+]3)CC2)c(Cl)c1OC ZINC001315461235 1064275340 /nfs/dbraw/zinc/27/53/40/1064275340.db2.gz IMIGESZICRABSP-UHFFFAOYSA-N 1 2 471.005 4.036 20 0 JIADLO COc1ccc(C[NH+]2CCN(c3nnc(CC(C)C)n3CCc3sc(C)nc3C)CC2)cc1F ZINC001315505278 1064418761 /nfs/dbraw/zinc/41/87/61/1064418761.db2.gz QPMCKPHGEWGEBE-UHFFFAOYSA-N 1 2 486.661 4.263 20 0 JIADLO COc1cccc(-c2nnc(N(C)C[C@H](c3cccs3)[NH+]3CCOCC3)n2CCOC(C)(C)C)c1 ZINC001315549256 1064563611 /nfs/dbraw/zinc/56/36/11/1064563611.db2.gz GSTVOPZVUFMMBG-JOCHJYFZSA-N 1 2 499.681 4.340 20 0 JIADLO COc1ccccc1OCc1nnc(N2C[C@@H](C)CC(C)(C)C2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001315651670 1064832995 /nfs/dbraw/zinc/83/29/95/1064832995.db2.gz BBFUWCGAEINZQA-IBGZPJMESA-N 1 2 464.614 4.247 20 0 JIADLO COc1ccccc1SCc1nnc(N(C)C[C@H]2CCCCO2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001315662193 1064864165 /nfs/dbraw/zinc/86/41/65/1064864165.db2.gz QXQQQHRJRVLSJI-HXUWFJFHSA-N 1 2 482.654 4.094 20 0 JIADLO COc1ccccc1SCc1nnc(N2C[C@H](C)CC(C)(C)C2)n1C[C@@H](C)[NH+]1CCOCC1 ZINC001315663448 1064870381 /nfs/dbraw/zinc/87/03/81/1064870381.db2.gz ZFNPROBSCBCFAT-WOJBJXKFSA-N 1 2 473.687 4.172 20 0 JIADLO COc1ccccc1SCc1nnc(N2CCCC[C@@H](SC)C2)n1C[C@H](C)[NH+]1CCOCC1 ZINC001315666082 1064881268 /nfs/dbraw/zinc/88/12/68/1064881268.db2.gz VRYFEEXNNXQFLP-VQTJNVASSA-N 1 2 491.727 4.022 20 0 JIADLO COc1cc[nH+]cc1Cn1c(-c2ccc(Cl)cc2F)nnc1N1C[C@H](C)O[C@H](C(F)(F)F)C1 ZINC001315668997 1064894690 /nfs/dbraw/zinc/89/46/90/1064894690.db2.gz GBYDMNTXWAWTPM-SGTLLEGYSA-N 1 2 485.869 4.346 20 0 JIADLO COc1cc[nH+]cc1Cn1c(-c2ccccc2Cl)nnc1N1C[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001315669460 1064896777 /nfs/dbraw/zinc/89/67/77/1064896777.db2.gz LOJRTABNWNANTF-JXFKEZNVSA-N 1 2 499.015 4.400 20 0 JIADLO COc1cc[nH+]cc1Cn1c([C@@H]2CCCOC2)nnc1N(C)Cc1ccc(F)c(C(F)(F)F)c1 ZINC001315671205 1064900535 /nfs/dbraw/zinc/90/05/35/1064900535.db2.gz DXAFIERFVJIKIC-MRXNPFEDSA-N 1 2 479.478 4.418 20 0 JIADLO COc1cc[nH+]cc1Cn1c(C2CCCC2)nnc1N(C)Cc1cc(OC)c(OC)cc1C ZINC001315671737 1064901224 /nfs/dbraw/zinc/90/12/24/1064901224.db2.gz IWDKTKLZSMTXOA-UHFFFAOYSA-N 1 2 451.571 4.350 20 0 JIADLO COc1cc[nH+]cc1Cn1c(CC(C)(C)C)nnc1N1CC[C@](O)(Cc2cccc(Cl)c2)C1 ZINC001315671930 1064902368 /nfs/dbraw/zinc/90/23/68/1064902368.db2.gz MEVYOFYOMBIMSE-VWLOTQADSA-N 1 2 470.017 4.156 20 0 JIADLO COc1cc[nH+]cc1Cn1c(-c2cccc(C)n2)nnc1N(C)CCOc1ccccc1Cl ZINC001315671864 1064902417 /nfs/dbraw/zinc/90/24/17/1064902417.db2.gz KXLDRKBEOVUFHW-UHFFFAOYSA-N 1 2 464.957 4.269 20 0 JIADLO COc1cc[nH+]cc1Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CCCC[C@@H](C)C1 ZINC001315673327 1064905833 /nfs/dbraw/zinc/90/58/33/1064905833.db2.gz YYBIJLYAOXPYLC-GGPKGHCWSA-N 1 2 470.618 4.127 20 0 JIADLO COc1cc[nH+]cc1Cn1c(N(C)C[C@H](C)c2ccccc2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001315673263 1064906035 /nfs/dbraw/zinc/90/60/35/1064906035.db2.gz XBTWUQIRZGSCRY-FNZWTVRRSA-N 1 2 465.598 4.011 20 0 JIADLO CO[C@@H]1CN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCCc2cccc(C)[nH+]2)CC[C@@H]1C ZINC001315710656 1064987241 /nfs/dbraw/zinc/98/72/41/1064987241.db2.gz UNFQNVLHFPDWMF-YADARESESA-N 1 2 476.625 4.345 20 0 JIADLO COCC(C)(C)CCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC001315761237 1065073192 /nfs/dbraw/zinc/07/31/92/1065073192.db2.gz LKEAERDRJDGOME-FYYLOGMGSA-N 1 2 484.689 4.371 20 0 JIADLO COC[C@@H](C)Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCc2c(cc[nH+]c2N(C)C)C1 ZINC001315772490 1065095356 /nfs/dbraw/zinc/09/53/56/1065095356.db2.gz AZWKGNLDBQVJJY-IBGZPJMESA-N 1 2 494.640 4.047 20 0 JIADLO COCC1(C)CCN(c2nnc(C(C)(C)C)n2C[C@@H](c2cccc(C)c2)[NH+]2CCOCC2)CC1 ZINC001315828235 1065186187 /nfs/dbraw/zinc/18/61/87/1065186187.db2.gz KQDORIABEIGTQC-QHCPKHFHSA-N 1 2 469.674 4.210 20 0 JIADLO COCC1(CCn2c(N3CC[NH+](Cc4cc(F)ccc4OC)CC3)nnc2C(C)(C)C)CCC1 ZINC001315841584 1065224483 /nfs/dbraw/zinc/22/44/83/1065224483.db2.gz XFZMMVALWYLQKK-UHFFFAOYSA-N 1 2 473.637 4.252 20 0 JIADLO COCC1=CCN(c2nnc(-c3ccccc3Br)n2CCCNc2cccc[nH+]2)CC1 ZINC001315867317 1065284959 /nfs/dbraw/zinc/28/49/59/1065284959.db2.gz ZMKHAIVWYPNTHJ-UHFFFAOYSA-N 1 2 483.414 4.388 20 0 JIADLO COCCN(c1nnc(-c2ccc(Cl)nc2)n1Cc1ccc(N(C)C)[nH+]c1)[C@@H]1CC[C@H](C)C1 ZINC001316079462 1065724118 /nfs/dbraw/zinc/72/41/18/1065724118.db2.gz MOORQTAXAMJZCZ-FXAWDEMLSA-N 1 2 470.021 4.144 20 0 JIADLO COCCN(CC(C)C)c1nnc(-c2ccc(OC)cc2)n1C[C@H]1CCCn2cc(C)[nH+]c21 ZINC001316087641 1065741329 /nfs/dbraw/zinc/74/13/29/1065741329.db2.gz ZVNGCKZCYKVQCR-OAQYLSRUSA-N 1 2 452.603 4.145 20 0 JIADLO COCCO[C@H](C)c1nnc(N2C[C@@H](C)CC[C@H]2C)n1Cc1cc[nH+]c(N2CCCCC2)c1 ZINC001316158445 1065823922 /nfs/dbraw/zinc/82/39/22/1065823922.db2.gz CVKUGLUYRHYAJN-PWRODBHTSA-N 1 2 456.635 4.061 20 0 JIADLO COCCO[C@H](C)c1nnc(N2C[C@H](C)C[C@H](C)C2)n1Cc1ccc(N2CCCCCC2)[nH+]c1 ZINC001316160189 1065826289 /nfs/dbraw/zinc/82/62/89/1065826289.db2.gz HEHZTRGEIIXRQZ-BHIFYINESA-N 1 2 470.662 4.308 20 0 JIADLO COCCO[C@H](C)c1nnc(N2CCC[C@H](C(F)(F)F)C2)n1Cc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC001316190704 1065880507 /nfs/dbraw/zinc/88/05/07/1065880507.db2.gz RXBBGNBGOCFOFX-AEFFLSMTSA-N 1 2 496.509 4.154 20 0 JIADLO CS[C@@H]1CCCCN(c2nnc(Cc3ccccc3C)n2Cc2ccc(N(C)C)[nH+]c2)C1 ZINC001316427319 1066249975 /nfs/dbraw/zinc/24/99/75/1066249975.db2.gz ILSJYJBFDPSHGQ-JOCHJYFZSA-N 1 2 450.656 4.409 20 0 JIADLO O=C(Nc1ccc2nc(C[NH+]3CCCCC3)[nH]c2c1)C(=Cc1ccco1)n1nnnc1-c1ccccc1 ZINC001325989015 1066277263 /nfs/dbraw/zinc/27/72/63/1066277263.db2.gz AVTMABRLFMPSAS-ULJHMMPZSA-N 1 2 494.559 4.432 20 0 JIADLO COc1cccc(-n2ccnc2SCC(=O)Nc2ccc3nc(C[NH+]4CCCCC4)[nH]c3c2)c1 ZINC001325990509 1066278523 /nfs/dbraw/zinc/27/85/23/1066278523.db2.gz GLLPFCVWLVKMFP-UHFFFAOYSA-N 1 2 476.606 4.474 20 0 JIADLO CSC[C@@H]1CCCN1c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1C[C@H](C)[NH+]1CCOCC1 ZINC001316434631 1066283219 /nfs/dbraw/zinc/28/32/19/1066283219.db2.gz OZUOKNSNUDANIA-NSHGMRRFSA-N 1 2 480.078 4.124 20 0 JIADLO CSC[C@H]1CCCN1c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001316442356 1066304672 /nfs/dbraw/zinc/30/46/72/1066304672.db2.gz KJPBGCMPMATNDT-SFHLNBCPSA-N 1 2 458.676 4.038 20 0 JIADLO CCOC(=O)C1C(C[N@@H+]2CCC[C@@H]2c2cccc(OC)c2)=NC(=O)N[C@@H]1c1ccc(Cl)cc1 ZINC001327303103 1066314986 /nfs/dbraw/zinc/31/49/86/1066314986.db2.gz JESMAJMLBGXKGD-FYYLOGMGSA-N 1 2 469.969 4.357 20 0 JIADLO CCOC(=O)C1C(C[N@H+]2CCC[C@@H]2c2cccc(OC)c2)=NC(=O)N[C@@H]1c1ccc(Cl)cc1 ZINC001327303103 1066315000 /nfs/dbraw/zinc/31/50/00/1066315000.db2.gz JESMAJMLBGXKGD-FYYLOGMGSA-N 1 2 469.969 4.357 20 0 JIADLO CCOC(=O)C1=C(C[N@@H+]2CCC[C@@H]2c2cccc(OC)c2)NC(=O)N[C@@H]1c1ccc(Cl)cc1 ZINC001327303103 1066315021 /nfs/dbraw/zinc/31/50/21/1066315021.db2.gz JESMAJMLBGXKGD-FYYLOGMGSA-N 1 2 469.969 4.357 20 0 JIADLO CCOC(=O)C1=C(C[N@H+]2CCC[C@@H]2c2cccc(OC)c2)NC(=O)N[C@@H]1c1ccc(Cl)cc1 ZINC001327303103 1066315039 /nfs/dbraw/zinc/31/50/39/1066315039.db2.gz JESMAJMLBGXKGD-FYYLOGMGSA-N 1 2 469.969 4.357 20 0 JIADLO CSCC[C@H](C)N(C)c1nnc(Cc2ccc(F)cc2)n1CCc1cn2ccccc2[nH+]1 ZINC001316450096 1066328525 /nfs/dbraw/zinc/32/85/25/1066328525.db2.gz KGOHSYBZQGLJKK-SFHVURJKSA-N 1 2 452.603 4.476 20 0 JIADLO Cc1cccc(CCCn2c([C@@H](C)Oc3ccccc3F)nnc2N2CC[C@@H](C)[C@@H](O)C2)[nH+]1 ZINC001492525343 1066404459 /nfs/dbraw/zinc/40/44/59/1066404459.db2.gz QPSWFXUMIJRHJQ-JUXOCIIHSA-N 1 2 453.562 4.101 20 0 JIADLO Cc1cccc(CCCn2c(-c3ccc(Br)s3)nnc2N2CCCOCC2)[nH+]1 ZINC001492525549 1066405981 /nfs/dbraw/zinc/40/59/81/1066405981.db2.gz TWPLXWTZAHUUHH-UHFFFAOYSA-N 1 2 462.417 4.332 20 0 JIADLO Cc1cccc(CCCn2c(-c3ccc(C(C)(C)C)cc3)nnc2N2CC[C@](C)(C(N)=O)C2)[nH+]1 ZINC001492525670 1066407222 /nfs/dbraw/zinc/40/72/22/1066407222.db2.gz VNDJKLXEJNRJIW-MHZLTWQESA-N 1 2 460.626 4.281 20 0 JIADLO COc1ccc(-c2nn(C[N@@H+]3CCCN4c5ccccc5C[C@H]4C3)c(=S)n2C[C@H]2CCCO2)cc1 ZINC001335299043 1066407997 /nfs/dbraw/zinc/40/79/97/1066407997.db2.gz GRACSKQHKATBPR-LADGPHEKSA-N 1 2 491.661 4.363 20 0 JIADLO COc1ccc(-c2nn(C[N@H+]3CCCN4c5ccccc5C[C@H]4C3)c(=S)n2C[C@H]2CCCO2)cc1 ZINC001335299043 1066408004 /nfs/dbraw/zinc/40/80/04/1066408004.db2.gz GRACSKQHKATBPR-LADGPHEKSA-N 1 2 491.661 4.363 20 0 JIADLO Cc1cccc(CCCn2c([C@H]3CCCOC3)nnc2N(C)CC(=O)N(C)[C@@H](C)c2ccccc2)[nH+]1 ZINC001492525850 1066412518 /nfs/dbraw/zinc/41/25/18/1066412518.db2.gz ITWJGHXQIGTTFB-UPVQGACJSA-N 1 2 490.652 4.164 20 0 JIADLO Cc1cccc(CCCn2c([C@@H]3CCCOC3)nnc2N2CC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C2)[nH+]1 ZINC001492526177 1066413836 /nfs/dbraw/zinc/41/38/36/1066413836.db2.gz PGWXIGHMLGQSNU-FDFHNCONSA-N 1 2 498.672 4.248 20 0 JIADLO Cc1cccc(CCCn2c(CC(C)C)nnc2N2CCC(C(=O)N3CCC[C@H](C)C3)CC2)[nH+]1 ZINC001492526985 1066419118 /nfs/dbraw/zinc/41/91/18/1066419118.db2.gz RMKXBXWOAWUDAW-NRFANRHFSA-N 1 2 466.674 4.288 20 0 JIADLO Cc1cccc(CCCn2c(CC(C)(C)C)nnc2N2CCC[C@H](NC(=O)C(C)(C)C)C2)[nH+]1 ZINC001492527228 1066419875 /nfs/dbraw/zinc/41/98/75/1066419875.db2.gz XXPGMOSRVAJZNO-NRFANRHFSA-N 1 2 454.663 4.334 20 0 JIADLO Cc1cccc(CCCn2c(Cc3ccc(F)cc3)nnc2N2CCN(C(=O)C(C)(C)C)CC2)[nH+]1 ZINC001492527193 1066419939 /nfs/dbraw/zinc/41/99/39/1066419939.db2.gz XPLCODCTBYABMW-UHFFFAOYSA-N 1 2 478.616 4.039 20 0 JIADLO Cc1cccc(CCCn2c(Nc3cnn(C)c3)nnc2[C@H]2CCCN(C(=O)OC(C)(C)C)C2)[nH+]1 ZINC001492527680 1066425023 /nfs/dbraw/zinc/42/50/23/1066425023.db2.gz PCVGNDAZNZOJAN-IBGZPJMESA-N 1 2 480.617 4.206 20 0 JIADLO Cc1cccc(CCCn2c(Nc3cnn(C)c3)nnc2[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)[nH+]1 ZINC001492527681 1066425249 /nfs/dbraw/zinc/42/52/49/1066425249.db2.gz PCVGNDAZNZOJAN-LJQANCHMSA-N 1 2 480.617 4.206 20 0 JIADLO FC(F)(F)OCCCn1c(-c2cccnc2)nnc1N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC001316515126 1066508858 /nfs/dbraw/zinc/50/88/58/1066508858.db2.gz IFRBGDXGWSDZHI-UHFFFAOYSA-N 1 2 480.922 4.242 20 0 JIADLO COc1cc(C(=O)Nc2ccc(OC(=O)c3ccc(-n4cc[nH+]c4)cc3)cc2)cc(OC)c1OC ZINC001341767055 1066589155 /nfs/dbraw/zinc/58/91/55/1066589155.db2.gz HQIFVMADFMQIJD-UHFFFAOYSA-N 1 2 473.485 4.370 20 0 JIADLO Cc1c(C(=O)OCCOCCCc2cccc(C)[nH+]2)cnn1-c1ccc(Br)cc1 ZINC001343507203 1066618193 /nfs/dbraw/zinc/61/81/93/1066618193.db2.gz XHQFSJMKMCKRPE-UHFFFAOYSA-N 1 2 458.356 4.453 20 0 JIADLO Cc1ccc2c(c1)C(=O)N(CC(=O)O[C@@H](Cn1cc[nH+]c1)c1ccc(Cl)cc1Cl)C2=O ZINC001343799541 1066619729 /nfs/dbraw/zinc/61/97/29/1066619729.db2.gz KHPFBYBLPFDQTH-IBGZPJMESA-N 1 2 458.301 4.079 20 0 JIADLO CCN(CC)S(=O)(=O)c1cc(C(=O)O[C@@H](Cn2cc[nH+]c2)c2ccc(Cl)cc2Cl)n(C)c1 ZINC001344788045 1066635561 /nfs/dbraw/zinc/63/55/61/1066635561.db2.gz QWTAZAUITVXAPV-FQEVSTJZSA-N 1 2 499.420 4.157 20 0 JIADLO O=C(CCc1nnc(C(F)F)o1)N1CC[NH+](Cc2ccc(-c3ccccc3F)s2)CC1 ZINC001348922046 1066790576 /nfs/dbraw/zinc/79/05/76/1066790576.db2.gz OHHUUGFZNOOIJB-UHFFFAOYSA-N 1 2 450.486 4.152 20 0 JIADLO CO[C@@H](C(=O)N1CC[NH+](Cc2ccc(-c3cccc(Br)c3)s2)CC1)C(C)C ZINC001349826862 1066887281 /nfs/dbraw/zinc/88/72/81/1066887281.db2.gz NYVGBENERKMKFM-HXUWFJFHSA-N 1 2 451.430 4.493 20 0 JIADLO O=C(C[NH+]1CCC([C@H]2C(=O)Nc3ccccc32)CC1)N1N=C(c2cccs2)C[C@@H]1c1ccco1 ZINC001318172494 1066938577 /nfs/dbraw/zinc/93/85/77/1066938577.db2.gz AKFAOXVFTHPJFK-PXDATVDWSA-N 1 2 474.586 4.467 20 0 JIADLO CCc1ccccc1-n1cnnc1SCC(=O)Nc1ccc2nc(C[NH+]3CCCCC3)[nH]c2c1 ZINC001318213739 1066962439 /nfs/dbraw/zinc/96/24/39/1066962439.db2.gz JNWCPXKJWKCORT-UHFFFAOYSA-N 1 2 475.622 4.423 20 0 JIADLO O=C(Cc1csc(NC(=O)c2ccco2)n1)Nc1ccc2nc(C[NH+]3CCCCC3)[nH]c2c1 ZINC001318213719 1066962684 /nfs/dbraw/zinc/96/26/84/1066962684.db2.gz LJJVPLQVJUCVJL-UHFFFAOYSA-N 1 2 464.551 4.032 20 0 JIADLO COC(=O)c1cc(C(=O)NC[C@@H](c2c(F)cccc2Cl)[NH+]2CCCC2)n(-c2ccccc2)n1 ZINC001318246979 1066982072 /nfs/dbraw/zinc/98/20/72/1066982072.db2.gz YVUWRXMPJAVTDU-NRFANRHFSA-N 1 2 470.932 4.018 20 0 JIADLO COc1cc[nH+]cc1Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1C[C@@H](C)O[C@@H](C)C1 ZINC001300693284 1067043956 /nfs/dbraw/zinc/04/39/56/1067043956.db2.gz DHAFKMWDQVIPTI-BBWFWOEESA-N 1 2 457.962 4.137 20 0 JIADLO CS(=O)(=O)c1ccc(NC(=O)[C@]2(C(F)(F)F)CC[N@H+](Cc3ccccc3)C2)cc1Cl ZINC001318462781 1067046122 /nfs/dbraw/zinc/04/61/22/1067046122.db2.gz JGAOOEVCQVYXRH-IBGZPJMESA-N 1 2 460.905 4.137 20 0 JIADLO CS(=O)(=O)c1ccc(NC(=O)[C@]2(C(F)(F)F)CC[N@@H+](Cc3ccccc3)C2)cc1Cl ZINC001318462781 1067046136 /nfs/dbraw/zinc/04/61/36/1067046136.db2.gz JGAOOEVCQVYXRH-IBGZPJMESA-N 1 2 460.905 4.137 20 0 JIADLO COc1cc[nH+]cc1Cn1c(-c2ccc(Cl)cc2)nnc1N1C[C@H](C)[C@H](NC(=O)OC(C)(C)C)C1 ZINC001300694244 1067048058 /nfs/dbraw/zinc/04/80/58/1067048058.db2.gz PYZOBRCMPKIYRN-OXJNMPFZSA-N 1 2 499.015 4.400 20 0 JIADLO COc1cccc([C@H](C)[NH+]2CCN(C(=O)c3nn(-c4ccccc4F)cc3Br)CC2)c1 ZINC001318501596 1067049144 /nfs/dbraw/zinc/04/91/44/1067049144.db2.gz DMZIEIPBRCBIDM-INIZCTEOSA-N 1 2 487.373 4.302 20 0 JIADLO Cc1cc(C(=O)NCc2cc[nH+]c(N3CCN(c4ccc(F)cc4)CC3)c2)c(C)n1CC1CC1 ZINC001318501893 1067049235 /nfs/dbraw/zinc/04/92/35/1067049235.db2.gz FZWRDMUCNQMITL-UHFFFAOYSA-N 1 2 461.585 4.306 20 0 JIADLO COc1cc[nH+]cc1Cn1c(CC(C)C)nnc1N(C)[C@@H](C)c1cccc(N2CCOC2=O)c1 ZINC001300697777 1067055909 /nfs/dbraw/zinc/05/59/09/1067055909.db2.gz SRHXATGCDGDUFK-SFHVURJKSA-N 1 2 464.570 4.083 20 0 JIADLO O=C(Nc1cc(N2CCOC2=O)ccc1F)N1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC001319781238 1067079722 /nfs/dbraw/zinc/07/97/22/1067079722.db2.gz KEZKFORDYZACLM-UHFFFAOYSA-N 1 2 466.435 4.151 20 0 JIADLO O=C(NC[C@H]1C[N@H+](Cc2ccccc2)CCO1)c1cc(F)c(OCc2ccccc2)c(F)c1 ZINC001351355701 1067083101 /nfs/dbraw/zinc/08/31/01/1067083101.db2.gz XOXQLTANYXCJAQ-QFIPXVFZSA-N 1 2 452.501 4.175 20 0 JIADLO O=C(NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1)c1cc(F)c(OCc2ccccc2)c(F)c1 ZINC001351355701 1067083118 /nfs/dbraw/zinc/08/31/18/1067083118.db2.gz XOXQLTANYXCJAQ-QFIPXVFZSA-N 1 2 452.501 4.175 20 0 JIADLO COc1ccc(-c2cn(-c3ccccc3)nc2C(=O)N2CCC(c3[nH]cc[nH+]3)CC2)cc1OC ZINC001320952660 1067096493 /nfs/dbraw/zinc/09/64/93/1067096493.db2.gz SKNWSFAMFAJTCG-UHFFFAOYSA-N 1 2 457.534 4.299 20 0 JIADLO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)N2CCC([C@@H]3c4ccccc4NC3=O)CC2)C[C@H](C)O1 ZINC001321425477 1067123487 /nfs/dbraw/zinc/12/34/87/1067123487.db2.gz KWJCKHZWKOKSLJ-HHJKRLRDSA-N 1 2 462.594 4.276 20 0 JIADLO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)N2CCC([C@@H]3c4ccccc4NC3=O)CC2)C[C@H](C)O1 ZINC001321425477 1067123496 /nfs/dbraw/zinc/12/34/96/1067123496.db2.gz KWJCKHZWKOKSLJ-HHJKRLRDSA-N 1 2 462.594 4.276 20 0 JIADLO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)N2CCC([C@H]3c4ccccc4NC3=O)CC2)C[C@@H](C)O1 ZINC001321425482 1067123706 /nfs/dbraw/zinc/12/37/06/1067123706.db2.gz KWJCKHZWKOKSLJ-RRQZXNHTSA-N 1 2 462.594 4.276 20 0 JIADLO O=C(CC[C@@H]1CC1(Cl)Cl)NCc1cc[nH+]c(N2CCN(c3ccc(F)cc3)CC2)c1 ZINC001354829078 1067156111 /nfs/dbraw/zinc/15/61/11/1067156111.db2.gz MTIKXNATMHFCCQ-QGZVFWFLSA-N 1 2 451.373 4.138 20 0 JIADLO C[C@@H](c1cccc(NC(=O)NCc2ccccc2CNC(=O)OC(C)(C)C)c1)[NH+]1CCOCC1 ZINC001321589762 1067172857 /nfs/dbraw/zinc/17/28/57/1067172857.db2.gz NOTUEPQNQSONCO-IBGZPJMESA-N 1 2 468.598 4.426 20 0 JIADLO O=C(C[NH+]1CCC(NC(=O)Nc2ccc(Oc3cccc(F)c3)nc2)CC1)Nc1ccccc1 ZINC001321677178 1067198451 /nfs/dbraw/zinc/19/84/51/1067198451.db2.gz QJLOXPVFKPIYAB-UHFFFAOYSA-N 1 2 463.513 4.238 20 0 JIADLO Cc1ccc(S(=O)(=O)NC(C)(C)C)cc1C(=O)Nc1ccc2nc(C[NH+]3CCCCC3)[nH]c2c1 ZINC001322403670 1067287263 /nfs/dbraw/zinc/28/72/63/1067287263.db2.gz GLTFWBLLOGQHAY-UHFFFAOYSA-N 1 2 483.638 4.186 20 0 JIADLO CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)[C@@H]([NH2+]CC(=O)N1CCCC1)c1ccccc1 ZINC001322479401 1067297959 /nfs/dbraw/zinc/29/79/59/1067297959.db2.gz LMOMZCHQQBSKKA-DEOSSOPVSA-N 1 2 491.613 4.484 20 0 JIADLO C[C@@H](c1cccc(NC(=O)c2nn(-c3ccccc3F)cc2Br)c1)[NH+]1CCOCC1 ZINC001322508738 1067300111 /nfs/dbraw/zinc/30/01/11/1067300111.db2.gz DTHNWZBVXQIZIZ-HNNXBMFYSA-N 1 2 473.346 4.419 20 0 JIADLO Cc1ccc(NC(=O)[C@@H](c2cccc(Br)c2)[NH+]2CCCC2)cc1N1CCOC1=O ZINC001355223010 1067391567 /nfs/dbraw/zinc/39/15/67/1067391567.db2.gz ITCJBQQAAFWAIL-HXUWFJFHSA-N 1 2 458.356 4.490 20 0 JIADLO O=C(N[C@H]1CCCC[C@H]1[NH+]1CCOCC1)c1csc(Cc2cccc(C(F)(F)F)c2)n1 ZINC001355606062 1067524270 /nfs/dbraw/zinc/52/42/70/1067524270.db2.gz TVKMASCCXHRNRK-PKOBYXMFSA-N 1 2 453.530 4.126 20 0 JIADLO Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)Cc2csc(NC(=O)c3ccccc3)n2)c(C)c1 ZINC001357329140 1067835176 /nfs/dbraw/zinc/83/51/76/1067835176.db2.gz AYPRTRNFTJPZTN-JOCHJYFZSA-N 1 2 459.575 4.309 20 0 JIADLO Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)c2cnc(OC3CCOCC3)c(Cl)c2)c(C)c1 ZINC001357331424 1067835613 /nfs/dbraw/zinc/83/56/13/1067835613.db2.gz YIIIUUJYXVVADS-JOCHJYFZSA-N 1 2 454.958 4.277 20 0 JIADLO CC(C)c1nc(C(=O)Nc2ccccc2C[NH+]2C[C@@H](C)O[C@H](C)C2)nn1-c1ccccc1F ZINC001357519371 1067863622 /nfs/dbraw/zinc/86/36/22/1067863622.db2.gz QLNLIHNGGCTSHF-QZTJIDSGSA-N 1 2 451.546 4.391 20 0 JIADLO Cc1c[nH+]c2n1CCN(C)C21CCN(C(=S)Nc2c(C)cc(Br)cc2C)CC1 ZINC001200222659 1067865946 /nfs/dbraw/zinc/86/59/46/1067865946.db2.gz VWBUUQBJHYRCCO-UHFFFAOYSA-N 1 2 462.461 4.204 20 0 JIADLO Cc1ccc(I)cc1C(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1 ZINC001353105901 1067867478 /nfs/dbraw/zinc/86/74/78/1067867478.db2.gz JZQYZNRNDLOWTE-OAHLLOKOSA-N 1 2 450.320 4.245 20 0 JIADLO Cc1ccccc1-c1nnc(N(C)CCC(F)F)n1C[C@H](c1cccs1)[NH+]1CCOCC1 ZINC001492559256 1067884324 /nfs/dbraw/zinc/88/43/24/1067884324.db2.gz VRHCZGAFSJRAOS-LJQANCHMSA-N 1 2 461.582 4.480 20 0 JIADLO COc1ccc(C[NH+]2CCN(c3nnc(C(C)(C)C)n3CC(F)(F)Br)CC2)cc1F ZINC001300230945 1067911369 /nfs/dbraw/zinc/91/13/69/1067911369.db2.gz OUEWNJLQTOWDEZ-UHFFFAOYSA-N 1 2 490.368 4.033 20 0 JIADLO COc1ccc(F)cc1C[NH+]1CCN(c2nnc(C(C)(C)C)n2CCc2scnc2C)CC1 ZINC001300245104 1067965412 /nfs/dbraw/zinc/96/54/12/1067965412.db2.gz GAVKKYIXXJSKNU-UHFFFAOYSA-N 1 2 472.634 4.053 20 0 JIADLO Cc1ccc(-c2ccc(C(=O)N3CC[NH+](Cc4ccc(OC(F)(F)F)cc4)CC3)cc2)nn1 ZINC001358123692 1068025170 /nfs/dbraw/zinc/02/51/70/1068025170.db2.gz AUHBZAOJEAOXFS-UHFFFAOYSA-N 1 2 456.468 4.309 20 0 JIADLO Cc1ccc(C[N@@H+]2CCO[C@H](CNC(=O)Nc3cc(NC(=O)C(C)(C)C)ccc3C)C2)cc1 ZINC001200315000 1068054584 /nfs/dbraw/zinc/05/45/84/1068054584.db2.gz PPUFQBKYSCDGKH-JOCHJYFZSA-N 1 2 452.599 4.311 20 0 JIADLO Cc1ccc(C[N@H+]2CCO[C@H](CNC(=O)Nc3cc(NC(=O)C(C)(C)C)ccc3C)C2)cc1 ZINC001200315000 1068054601 /nfs/dbraw/zinc/05/46/01/1068054601.db2.gz PPUFQBKYSCDGKH-JOCHJYFZSA-N 1 2 452.599 4.311 20 0 JIADLO CO[C@@H](C(=O)N(Cc1ccccc1)[C@H](C)C[NH+]1CCOCC1)c1ccccc1C(F)(F)F ZINC001358434476 1068090298 /nfs/dbraw/zinc/09/02/98/1068090298.db2.gz RRWWBNZTQBUFTF-XMSQKQJNSA-N 1 2 450.501 4.142 20 0 JIADLO Fc1ccc(N2CCN(c3cc(CNc4ccc5nnc(-c6ccccc6F)n5n4)cc[nH+]3)CC2)cc1 ZINC000511736614 1068202297 /nfs/dbraw/zinc/20/22/97/1068202297.db2.gz WYDCAXXTWPRHKQ-UHFFFAOYSA-N 1 2 498.541 4.403 20 0 JIADLO Cc1ccc(NC(=O)N[C@@H](Cc2ccccc2)C[NH+]2CCOCC2)cc1NC(=O)C(C)(C)C ZINC001200372842 1068291660 /nfs/dbraw/zinc/29/16/60/1068291660.db2.gz ONIJNVBYMRWLBA-QFIPXVFZSA-N 1 2 452.599 4.045 20 0 JIADLO Cc1ccnc(C2CC[NH+](CC(=O)N(C)[C@@]3(c4ccccc4Cl)CCCCC3=O)CC2)n1 ZINC001473828054 1068295934 /nfs/dbraw/zinc/29/59/34/1068295934.db2.gz QFHKLZWVBMGWRG-RUZDIDTESA-N 1 2 455.002 4.115 20 0 JIADLO COc1ccc([C@@H](NC(=O)c2cccc(Cn3cc[nH+]c3)c2)c2ccc(OC)cc2OC)cc1 ZINC001353578241 1068342745 /nfs/dbraw/zinc/34/27/45/1068342745.db2.gz HUCARPOXPZTZEI-AREMUKBSSA-N 1 2 457.530 4.477 20 0 JIADLO COc1cccc([C@H](C)[NH+]2CCN(C(=O)Nc3nnc(Cc4ccccc4F)s3)CC2)c1 ZINC000524565139 1068353127 /nfs/dbraw/zinc/35/31/27/1068353127.db2.gz IXQZKIOUVSXWSW-INIZCTEOSA-N 1 2 455.559 4.187 20 0 JIADLO Cc1nc(NCc2cccc(C(=O)NC3CCN(c4ccc(C(F)(F)F)cn4)CC3)c2)cc[nH+]1 ZINC000622308778 1068361068 /nfs/dbraw/zinc/36/10/68/1068361068.db2.gz SXTVNHYBCLIVJD-UHFFFAOYSA-N 1 2 470.499 4.210 20 0 JIADLO CCOC(=O)C[C@@H](CNC(=O)[C@@H](c1cccc(Br)c1)[NH+]1CCCC1)CC(C)C ZINC001300369200 1068415184 /nfs/dbraw/zinc/41/51/84/1068415184.db2.gz ROQAYYQMFODEIW-LAUBAEHRSA-N 1 2 453.421 4.318 20 0 JIADLO O=C([C@@H]1C[N@H+](Cc2ccccc2)CCO1)N(CC(F)(F)F)c1ccc(Br)cc1 ZINC001353861768 1068681027 /nfs/dbraw/zinc/68/10/27/1068681027.db2.gz SUMHSFZEWNWILK-SFHVURJKSA-N 1 2 457.290 4.245 20 0 JIADLO O=C([C@@H]1C[N@@H+](Cc2ccccc2)CCO1)N(CC(F)(F)F)c1ccc(Br)cc1 ZINC001353861768 1068681037 /nfs/dbraw/zinc/68/10/37/1068681037.db2.gz SUMHSFZEWNWILK-SFHVURJKSA-N 1 2 457.290 4.245 20 0 JIADLO CSc1ccc([C@H](CNC(=O)CCc2cn(C)nc2C)[N@@H+]2CCc3sccc3C2)cc1 ZINC001353919892 1068753107 /nfs/dbraw/zinc/75/31/07/1068753107.db2.gz SXHZBDQDZPJICB-QFIPXVFZSA-N 1 2 454.665 4.360 20 0 JIADLO CSc1ccc([C@H](CNC(=O)CCc2cn(C)nc2C)[N@H+]2CCc3sccc3C2)cc1 ZINC001353919892 1068753118 /nfs/dbraw/zinc/75/31/18/1068753118.db2.gz SXHZBDQDZPJICB-QFIPXVFZSA-N 1 2 454.665 4.360 20 0 JIADLO COc1ccccc1Cc1nnc(N(CC(C)C)C2CCCC2)n1C[C@@H](C)[NH+]1CCOCC1 ZINC001300546181 1068983785 /nfs/dbraw/zinc/98/37/85/1068983785.db2.gz GYTXWYGYIHQQHI-OAQYLSRUSA-N 1 2 455.647 4.003 20 0 JIADLO O=C(CSc1nnc(-c2ccc(Cl)cc2)o1)N1CC[NH+](Cc2cccc3cccnc32)CC1 ZINC000849367163 1069022422 /nfs/dbraw/zinc/02/24/22/1069022422.db2.gz BPYXNSAEIVMVPY-UHFFFAOYSA-N 1 2 479.993 4.375 20 0 JIADLO CCOc1cc(C[N@@H+]2CC3(CCOCC3)[C@H]2c2cnn(CC(C)C)c2)ccc1O[C@@H](C)C(=O)N(C)C ZINC000849478634 1069046666 /nfs/dbraw/zinc/04/66/66/1069046666.db2.gz KRNARECEUJOWEZ-HFZDXXHNSA-N 1 2 498.668 4.147 20 0 JIADLO CCOc1cc(C[N@H+]2CC3(CCOCC3)[C@H]2c2cnn(CC(C)C)c2)ccc1O[C@@H](C)C(=O)N(C)C ZINC000849478634 1069046685 /nfs/dbraw/zinc/04/66/85/1069046685.db2.gz KRNARECEUJOWEZ-HFZDXXHNSA-N 1 2 498.668 4.147 20 0 JIADLO CN(C)c1ccc([NH+]2CCC(NC(=O)Cc3csc(Cc4ccc(F)cc4)n3)CC2)cc1 ZINC001354413647 1069199181 /nfs/dbraw/zinc/19/91/81/1069199181.db2.gz FCWHSUNSNFHHEW-UHFFFAOYSA-N 1 2 452.599 4.267 20 0 JIADLO CN(C)c1ccc([NH+]2CCC(NC(=O)[C@@H]3CC[C@H](C4CC4)N3C(=O)OC(C)(C)C)CC2)cc1 ZINC001354414822 1069200310 /nfs/dbraw/zinc/20/03/10/1069200310.db2.gz OLUOUJGXNXFQNV-PKTZIBPZSA-N 1 2 456.631 4.016 20 0 JIADLO COc1ccccc1Cn1c(C(C)C)nnc1N(C)C[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC001300606400 1069202403 /nfs/dbraw/zinc/20/24/03/1069202403.db2.gz SFDMQUUNKBCDFO-FQEVSTJZSA-N 1 2 455.628 4.030 20 0 JIADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)[C@H]1CC(=O)N(C)[C@@H]1c1cccc(Cl)c1 ZINC001354465933 1069240567 /nfs/dbraw/zinc/24/05/67/1069240567.db2.gz SIKPFPKQBGNSDX-XUZZJYLKSA-N 1 2 455.002 4.020 20 0 JIADLO Cc1nc(C[N@@H+]2CCOC[C@@]3(CCCN(C(=S)Nc4ccc(F)c(F)c4)C3)C2)cs1 ZINC001200692951 1069304437 /nfs/dbraw/zinc/30/44/37/1069304437.db2.gz QOZQKAGTWZCZPQ-NRFANRHFSA-N 1 2 452.596 4.041 20 0 JIADLO Cc1nc(C[N@H+]2CCOC[C@@]3(CCCN(C(=S)Nc4ccc(F)c(F)c4)C3)C2)cs1 ZINC001200692951 1069304448 /nfs/dbraw/zinc/30/44/48/1069304448.db2.gz QOZQKAGTWZCZPQ-NRFANRHFSA-N 1 2 452.596 4.041 20 0 JIADLO CCOC(=O)c1sc2nc(C[NH+]3CCCCC3)nc(N3C[C@H]4CC(F)(F)[C@@H]4C3)c2c1C ZINC001164411243 718870753 /nfs/dbraw/zinc/87/07/53/718870753.db2.gz OMQJQAOJYZXLAN-HUUCEWRRSA-N 1 2 450.555 4.254 20 0 JIADLO Fc1ccc(C(F)(F)N2CCO[C@@H](c3[nH+]cn4c3cccc4Br)C2)nc1Cl ZINC001164419971 718890081 /nfs/dbraw/zinc/89/00/81/718890081.db2.gz SNECERBWWAOXDB-GFCCVEGCSA-N 1 2 461.669 4.407 20 0 JIADLO CCN1CCn2c(-c3ccccc3)cnc2C12CCN(c1nc(NCC3CC3)c(C)c[nH+]1)CC2 ZINC001164660628 719345067 /nfs/dbraw/zinc/34/50/67/719345067.db2.gz JHQCMMDWFMCJIE-UHFFFAOYSA-N 1 2 457.626 4.302 20 0 JIADLO CCOC(=O)c1cc(F)cnc1N1CCC2(CC1)c1ncc(-c3ccccc3)n1CC[N@H+]2CC ZINC001164664118 719346884 /nfs/dbraw/zinc/34/68/84/719346884.db2.gz RPIDMJKZMAWMOH-UHFFFAOYSA-N 1 2 463.557 4.092 20 0 JIADLO CCOC(=O)c1cc(F)cnc1N1CCC2(CC1)c1ncc(-c3ccccc3)n1CC[N@@H+]2CC ZINC001164664118 719346886 /nfs/dbraw/zinc/34/68/86/719346886.db2.gz RPIDMJKZMAWMOH-UHFFFAOYSA-N 1 2 463.557 4.092 20 0 JIADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1cc(-c3ccccn3)ncn1)CC2 ZINC001164660650 719353878 /nfs/dbraw/zinc/35/38/78/719353878.db2.gz WIWAJXWETBYHKX-UHFFFAOYSA-N 1 2 451.578 4.233 20 0 JIADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1cc(-c3ccccn3)ncn1)CC2 ZINC001164660650 719353879 /nfs/dbraw/zinc/35/38/79/719353879.db2.gz WIWAJXWETBYHKX-UHFFFAOYSA-N 1 2 451.578 4.233 20 0 JIADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ccc(-c3ccncc3)nn1)CC2 ZINC001164658901 719354869 /nfs/dbraw/zinc/35/48/69/719354869.db2.gz LMQMHPQPNXGBOR-UHFFFAOYSA-N 1 2 451.578 4.233 20 0 JIADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ccc(-c3ccncc3)nn1)CC2 ZINC001164658901 719354870 /nfs/dbraw/zinc/35/48/70/719354870.db2.gz LMQMHPQPNXGBOR-UHFFFAOYSA-N 1 2 451.578 4.233 20 0 JIADLO CCOC(Cc1c(Cl)ncnc1N1CCC2(CC1)COCC[N@@H+]2Cc1ccc(F)cc1)OCC ZINC001164672306 719509075 /nfs/dbraw/zinc/50/90/75/719509075.db2.gz JIGKOCCSOCQKOW-UHFFFAOYSA-N 1 2 493.023 4.082 20 0 JIADLO CCOC(Cc1c(Cl)ncnc1N1CCC2(CC1)COCC[N@H+]2Cc1ccc(F)cc1)OCC ZINC001164672306 719509093 /nfs/dbraw/zinc/50/90/93/719509093.db2.gz JIGKOCCSOCQKOW-UHFFFAOYSA-N 1 2 493.023 4.082 20 0 JIADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1cc(-c2ccccc2)nc(-c2cccs2)n1 ZINC001164708208 719872425 /nfs/dbraw/zinc/87/24/25/719872425.db2.gz YQJCZYYWNBCWKG-IBVKSMDESA-N 1 2 478.618 4.105 20 0 JIADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1cc(C)nc(-c2ccc(-c3ccccc3)cc2)n1 ZINC001164708013 719874064 /nfs/dbraw/zinc/87/40/64/719874064.db2.gz XFSLPYOJLVDLHV-IRPSRAIASA-N 1 2 486.616 4.352 20 0 JIADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4nc(Cl)nc5cccc(Cl)c54)CC3)C2=O)cs1 ZINC001164821175 720369302 /nfs/dbraw/zinc/36/93/02/720369302.db2.gz ZIKSXJPEVZGEBC-UHFFFAOYSA-N 1 2 491.448 4.015 20 0 JIADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4nc(Cl)nc5cccc(Cl)c54)CC3)C2=O)cs1 ZINC001164821175 720369311 /nfs/dbraw/zinc/36/93/11/720369311.db2.gz ZIKSXJPEVZGEBC-UHFFFAOYSA-N 1 2 491.448 4.015 20 0 JIADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4ccc5ccc(Cl)c(C)c5n4)CC3)C2=O)cs1 ZINC001164819860 720376277 /nfs/dbraw/zinc/37/62/77/720376277.db2.gz IWAMCHBNKRCESM-UHFFFAOYSA-N 1 2 470.042 4.275 20 0 JIADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4ccc5ccc(Cl)c(C)c5n4)CC3)C2=O)cs1 ZINC001164819860 720376282 /nfs/dbraw/zinc/37/62/82/720376282.db2.gz IWAMCHBNKRCESM-UHFFFAOYSA-N 1 2 470.042 4.275 20 0 JIADLO F[C@H](Oc1cccc(-c2ccc(Cl)nn2)c1)N1Cc2c[nH+]cn2C[C@H](COCC2CC2)C1 ZINC001164755814 720980827 /nfs/dbraw/zinc/98/08/27/720980827.db2.gz BZCWLKPZWSVUEI-HXOBKFHXSA-N 1 2 457.937 4.184 20 0 JIADLO COc1ccc2nc(C(F)(F)N3Cc4c[nH+]cn4C[C@@H](COc4cccnc4)C3)nc(Cl)c2c1 ZINC001164769097 721275594 /nfs/dbraw/zinc/27/55/94/721275594.db2.gz OOMKCHAHHPICPJ-OAHLLOKOSA-N 1 2 486.910 4.144 20 0 JIADLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(c1nc(-c3ccccn3)c(-c3ccccn3)nc1Cl)C2 ZINC001165009982 721720821 /nfs/dbraw/zinc/72/08/21/721720821.db2.gz CYWZFPUHCONXPZ-UHFFFAOYSA-N 1 2 490.015 4.096 20 0 JIADLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(c1nc(-c3ccccn3)c(-c3ccccn3)nc1Cl)C2 ZINC001165009982 721720826 /nfs/dbraw/zinc/72/08/26/721720826.db2.gz CYWZFPUHCONXPZ-UHFFFAOYSA-N 1 2 490.015 4.096 20 0 JIADLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(C(F)(F)c1cc(-c3ccccc3F)nnc1Cl)C2 ZINC001165010927 721722109 /nfs/dbraw/zinc/72/21/09/721722109.db2.gz KUKIKMVKQATVFS-UHFFFAOYSA-N 1 2 479.938 4.323 20 0 JIADLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(C(F)(F)c1cc(-c3ccccc3F)nnc1Cl)C2 ZINC001165010927 721722111 /nfs/dbraw/zinc/72/21/11/721722111.db2.gz KUKIKMVKQATVFS-UHFFFAOYSA-N 1 2 479.938 4.323 20 0 JIADLO Cc1cnc2n1CC[N@@H+](C)C21CCN(C(F)(F)c2ccc3c(Cl)nc(Cl)nc3c2)CC1 ZINC001164916405 721816555 /nfs/dbraw/zinc/81/65/55/721816555.db2.gz DEEPKWHTJVXNHN-UHFFFAOYSA-N 1 2 467.351 4.428 20 0 JIADLO Cc1cnc2n1CC[N@H+](C)C21CCN(C(F)(F)c2ccc3c(Cl)nc(Cl)nc3c2)CC1 ZINC001164916405 721816557 /nfs/dbraw/zinc/81/65/57/721816557.db2.gz DEEPKWHTJVXNHN-UHFFFAOYSA-N 1 2 467.351 4.428 20 0 JIADLO CC(=O)N1CCCN(c2nnc(-c3ccc(Cl)cc3F)n2CCCc2cccc(C)[nH+]2)CC1 ZINC001359375620 1069481812 /nfs/dbraw/zinc/48/18/12/1069481812.db2.gz UWYDREDAMBZOJC-UHFFFAOYSA-N 1 2 470.980 4.132 20 0 JIADLO CC(C)(C)c1nnc(N2CCC[C@@H](C(F)(F)F)C2)n1C[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001359509377 1069786312 /nfs/dbraw/zinc/78/63/12/1069786312.db2.gz WRTGMNNJCQTQSK-UXHICEINSA-N 1 2 465.564 4.255 20 0 JIADLO CC(C)(C)c1nnc(N2CCC[C@@H](C(F)(F)F)C2)n1C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001359509377 1069786335 /nfs/dbraw/zinc/78/63/35/1069786335.db2.gz WRTGMNNJCQTQSK-UXHICEINSA-N 1 2 465.564 4.255 20 0 JIADLO COc1ccc(C[NH+]2CCN(c3nnc(-c4ccc(Cl)nc4)n3C[C@@H](C)SC)CC2)cc1F ZINC001315504495 1064415235 /nfs/dbraw/zinc/41/52/35/1064415235.db2.gz GBEFHYVDLLKCMU-MRXNPFEDSA-N 1 2 491.036 4.215 20 0 JIADLO COc1ccc(OCc2nnc(N3CCO[C@@H](C(C)(C)C)C3)n2CCCNc2cccc[nH+]2)cc1 ZINC001315538420 1064532684 /nfs/dbraw/zinc/53/26/84/1064532684.db2.gz UKWOEJSKCBELAI-JOCHJYFZSA-N 1 2 480.613 4.014 20 0 JIADLO COc1ccccc1C[C@H](C)N(C)c1nnc([C@H]2CCCCO2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001315612289 1064733215 /nfs/dbraw/zinc/73/32/15/1064733215.db2.gz GKSHQGSPBROZOL-WMZHIEFXSA-N 1 2 464.614 4.105 20 0 JIADLO COc1ccccc1C[C@@H](C)N(C)c1nnc([C@H]2CCCCO2)n1Cc1c[nH+]ccc1OC ZINC001315613380 1064736523 /nfs/dbraw/zinc/73/65/23/1064736523.db2.gz PTXAUBAJOMBZLK-WZONZLPQSA-N 1 2 451.571 4.048 20 0 JIADLO COc1ccccc1Cc1nnc(N2CCc3c(cc[nH+]c3N(C)C)C2)n1C[C@@](C)(O)CCC(C)C ZINC001315625536 1064767486 /nfs/dbraw/zinc/76/74/86/1064767486.db2.gz OZFDSUOZFICZIX-NDEPHWFRSA-N 1 2 492.668 4.088 20 0 JIADLO COc1ccccc1SCc1nnc(N2CCCC[C@H](SC)C2)n1C[C@@H](C)[NH+]1CCOCC1 ZINC001315666081 1064881333 /nfs/dbraw/zinc/88/13/33/1064881333.db2.gz VRYFEEXNNXQFLP-UXHICEINSA-N 1 2 491.727 4.022 20 0 JIADLO COc1cc[nH+]cc1Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1C[C@@H](C)OC(C)(C)C1 ZINC001315668958 1064894099 /nfs/dbraw/zinc/89/40/99/1064894099.db2.gz DXSFLXSYUFPRFC-GOSISDBHSA-N 1 2 481.597 4.197 20 0 JIADLO COc1cc[nH+]cc1Cn1c(-c2ccccc2Cl)nnc1N1C[C@H](C)[C@H](NC(=O)OC(C)(C)C)C1 ZINC001315669461 1064896911 /nfs/dbraw/zinc/89/69/11/1064896911.db2.gz LOJRTABNWNANTF-OXJNMPFZSA-N 1 2 499.015 4.400 20 0 JIADLO COc1cc[nH+]cc1Cn1c(CCc2ccccc2)nnc1N1CCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC001315671203 1064900289 /nfs/dbraw/zinc/90/02/89/1064900289.db2.gz CGWLPARGIYYFHI-QFIPXVFZSA-N 1 2 492.624 4.009 20 0 JIADLO COc1cc[nH+]cc1Cn1c(CCOc2ccccc2)nnc1N1C[C@@H](C)C(F)(F)[C@@H](C)C1 ZINC001315671309 1064900334 /nfs/dbraw/zinc/90/03/34/1064900334.db2.gz ASRUPTMSYSVLSM-HDICACEKSA-N 1 2 457.525 4.079 20 0 JIADLO COc1cc[nH+]cc1Cn1c(COc2cc(C)cc(C)c2)nnc1N1CC[C@H](OCC(C)C)C1 ZINC001315671667 1064901691 /nfs/dbraw/zinc/90/16/91/1064901691.db2.gz DUHSIQNKGDTALC-QFIPXVFZSA-N 1 2 465.598 4.177 20 0 JIADLO COc1cc[nH+]cc1Cn1c(CC(C)(C)C)nnc1N1CC[C@@](O)(Cc2cccc(Cl)c2)C1 ZINC001315671929 1064902287 /nfs/dbraw/zinc/90/22/87/1064902287.db2.gz MEVYOFYOMBIMSE-RUZDIDTESA-N 1 2 470.017 4.156 20 0 JIADLO COc1cc[nH+]cc1Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC[C@H](C)C1 ZINC001315672979 1064904098 /nfs/dbraw/zinc/90/40/98/1064904098.db2.gz VXBYTFATVVHLMP-RBUKOAKNSA-N 1 2 470.618 4.081 20 0 JIADLO COc1cc[nH+]cc1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)CCc1cccs1 ZINC001315675269 1064910079 /nfs/dbraw/zinc/91/00/79/1064910079.db2.gz YEBXBLGWIWAZPL-TZIWHRDSSA-N 1 2 455.628 4.389 20 0 JIADLO CO[C@@H]1CN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2Cc2ccc(N(C)C)[nH+]c2)CC[C@H]1C ZINC001315711277 1064988225 /nfs/dbraw/zinc/98/82/25/1064988225.db2.gz APNIXZODMKGTSI-ZILOHOTNSA-N 1 2 478.641 4.405 20 0 JIADLO CO[C@@H]1CN(c2nnc(COc3cc(C)ccc3C)n2CCCNc2cccc[nH+]2)CC1(C)C ZINC001315736916 1065040477 /nfs/dbraw/zinc/04/04/77/1065040477.db2.gz RCSKSZQLXWXUKQ-JOCHJYFZSA-N 1 2 464.614 4.232 20 0 JIADLO COCC1(C)CCN(c2nnc(CC(C)C)n2C[C@H](c2cccc(C)c2)[NH+]2CCOCC2)CC1 ZINC001315832072 1065197328 /nfs/dbraw/zinc/19/73/28/1065197328.db2.gz CBEFEBXDRCVQLA-XMMPIXPASA-N 1 2 469.674 4.111 20 0 JIADLO COC[C@H]1CCCCN(c2nnc(-c3cccn3C)n2C[C@H](c2c(F)cccc2F)[NH+](C)C)C1 ZINC001315880977 1065318668 /nfs/dbraw/zinc/31/86/68/1065318668.db2.gz PTIXIYJHVNUJLZ-PGRDOPGGSA-N 1 2 472.584 4.118 20 0 JIADLO COC[C@@H]1CCCN(c2nnc(Cc3c(F)cccc3F)n2CCCc2cccc(C)[nH+]2)C1 ZINC001315895759 1065361759 /nfs/dbraw/zinc/36/17/59/1065361759.db2.gz DOUNVTGPQVZMOM-LJQANCHMSA-N 1 2 455.553 4.346 20 0 JIADLO COCCC(C)(C)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC001315954798 1065497433 /nfs/dbraw/zinc/49/74/33/1065497433.db2.gz QOGDRUNAQPIWEO-LJQANCHMSA-N 1 2 497.619 4.045 20 0 JIADLO COCC[C@H]1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@H](c2c(F)cccc2F)[NH+](C)C)C1 ZINC001316000418 1065583301 /nfs/dbraw/zinc/58/33/01/1065583301.db2.gz VWIFLTQSSRYFOW-OXQOHEQNSA-N 1 2 490.986 4.437 20 0 JIADLO COCC[C@H]1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCCc2cccc(C)[nH+]2)C1 ZINC001316002290 1065586159 /nfs/dbraw/zinc/58/61/59/1065586159.db2.gz HWZVMPFOXOLKLI-YMPZKCBVSA-N 1 2 455.647 4.396 20 0 JIADLO COCCCOc1cc(C)ccc1Cn1c(C(C)C)nnc1N1CCc2c(cc[nH+]c2N(C)C)C1 ZINC001316051089 1065671905 /nfs/dbraw/zinc/67/19/05/1065671905.db2.gz QJGFYQMDWBGIRW-UHFFFAOYSA-N 1 2 478.641 4.197 20 0 JIADLO COCCO[C@H](C)c1nnc(N2C[C@@H](C)CC(C)(C)C2)n1C[C@@H](c1cccc(C)c1)[NH+]1CCOCC1 ZINC001316160176 1065826346 /nfs/dbraw/zinc/82/63/46/1065826346.db2.gz HBMRYXBLRNIVOH-ARNLJNQMSA-N 1 2 499.700 4.256 20 0 JIADLO CSC(C)(C)Cn1c(N(C)C[C@@H](c2cccs2)[NH+]2CCOCC2)nnc1C(C)(C)C ZINC001316373215 1066127178 /nfs/dbraw/zinc/12/71/78/1066127178.db2.gz LMVHDMUDQBKKLJ-KRWDZBQOSA-N 1 2 451.706 4.288 20 0 JIADLO CSC(C)(C)Cn1c(CCCc2ccccc2)nnc1N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC001316373487 1066128048 /nfs/dbraw/zinc/12/80/48/1066128048.db2.gz YZRZHTTYLRZNOC-UHFFFAOYSA-N 1 2 465.671 4.020 20 0 JIADLO CS[C@@H](C)Cn1c(-c2ccc(Br)cc2)nnc1N1CC[NH+](Cc2cc(C)no2)CC1 ZINC001316374176 1066130620 /nfs/dbraw/zinc/13/06/20/1066130620.db2.gz CDJWRJXUMJRFME-INIZCTEOSA-N 1 2 491.459 4.078 20 0 JIADLO CS[C@@H](Cn1c(Cc2cccnc2)nnc1N1CC[NH+](Cc2cnc(C)s2)CC1)C(C)(C)C ZINC001316393078 1066168027 /nfs/dbraw/zinc/16/80/27/1066168027.db2.gz BUTUXSPLTWMDFL-NRFANRHFSA-N 1 2 485.727 4.129 20 0 JIADLO CSc1ccc(F)cc1Cn1c(CC(C)C)nnc1N1CC[NH+](Cc2cnc(C)s2)CC1 ZINC001316421538 1066228199 /nfs/dbraw/zinc/22/81/99/1066228199.db2.gz ONGWRYWCRWAWNU-UHFFFAOYSA-N 1 2 474.675 4.473 20 0 JIADLO Cc1cccc(-c2nnc(N3CCC[C@H](NC(=O)OC(C)(C)C)C3)n2CCCNc2cccc[nH+]2)n1 ZINC001492513917 1066353988 /nfs/dbraw/zinc/35/39/88/1066353988.db2.gz HOADETGYRVYZAN-FQEVSTJZSA-N 1 2 492.628 4.039 20 0 JIADLO CCOc1ccc(N2C(=O)c3ccc(C(=O)Nc4nc(C[NH+](CC)CC)cs4)cc3C2=O)cc1 ZINC001331705032 1066361117 /nfs/dbraw/zinc/36/11/17/1066361117.db2.gz VYTDIJBDGGOGQQ-UHFFFAOYSA-N 1 2 478.574 4.437 20 0 JIADLO CC[NH+](CC)Cc1csc(NC(=O)c2ccccc2OCC(=O)Nc2ccccc2F)n1 ZINC001332112214 1066371482 /nfs/dbraw/zinc/37/14/82/1066371482.db2.gz CBMTVCLTATVOAL-UHFFFAOYSA-N 1 2 456.543 4.394 20 0 JIADLO CSCCCN(C)c1nnc(-c2cccn2C)n1Cc1ccc(N2CCC(C)CC2)[nH+]c1 ZINC001316468135 1066373235 /nfs/dbraw/zinc/37/32/35/1066373235.db2.gz GURFDHPOVPBMAY-UHFFFAOYSA-N 1 2 453.660 4.153 20 0 JIADLO CC(C)(C)OC(=O)N[C@H](c1noc([C@H]2C[N@H+](Cc3ccccc3)CCO2)n1)c1ccccc1 ZINC001332503145 1066377540 /nfs/dbraw/zinc/37/75/40/1066377540.db2.gz ZRNKNLRFQWTVKS-RTWAWAEBSA-N 1 2 450.539 4.257 20 0 JIADLO CC(C)(C)OC(=O)N[C@H](c1noc([C@H]2C[N@@H+](Cc3ccccc3)CCO2)n1)c1ccccc1 ZINC001332503145 1066377558 /nfs/dbraw/zinc/37/75/58/1066377558.db2.gz ZRNKNLRFQWTVKS-RTWAWAEBSA-N 1 2 450.539 4.257 20 0 JIADLO CC[NH+](CC)Cc1csc(NC(=O)CSCc2nc3sc4c(c3c(=O)[nH]2)CCCC4)n1 ZINC001334536394 1066396355 /nfs/dbraw/zinc/39/63/55/1066396355.db2.gz CGKZOYHUTCJWCV-UHFFFAOYSA-N 1 2 477.681 4.446 20 0 JIADLO Cc1cccc(CCCn2c(C(=O)NC(C)C)nnc2N2CCc3cccc(Br)c3C2)[nH+]1 ZINC001492524987 1066400012 /nfs/dbraw/zinc/40/00/12/1066400012.db2.gz FASCTFOLTBYCFG-UHFFFAOYSA-N 1 2 497.441 4.078 20 0 JIADLO Cc1cccc(CCCn2c(-c3cccc(Br)c3)nnc2N2CCO[C@H](C)C2)[nH+]1 ZINC001492525256 1066403661 /nfs/dbraw/zinc/40/36/61/1066403661.db2.gz NZQZMEDCLWBIME-QGZVFWFLSA-N 1 2 456.388 4.269 20 0 JIADLO Cc1cccc(CCCn2c(-c3cc(Br)cn3C)nnc2N2CCO[C@H](C(C)C)C2)[nH+]1 ZINC001492525513 1066405711 /nfs/dbraw/zinc/40/57/11/1066405711.db2.gz SMICMEOJVSSNLZ-NRFANRHFSA-N 1 2 487.446 4.244 20 0 JIADLO Cc1cccc(CCCn2c(-c3ccc(Cl)cc3)nnc2N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O)[nH+]1 ZINC001492525682 1066406771 /nfs/dbraw/zinc/40/67/71/1066406771.db2.gz VNJAZXHSZGYPNQ-ZWKOTPCHSA-N 1 2 476.046 4.193 20 0 JIADLO Cc1cccc(CCCn2c(C(=O)Nc3ccc(C)c(C)c3)nnc2N2CCC(CCCO)CC2)[nH+]1 ZINC001492525928 1066409502 /nfs/dbraw/zinc/40/95/02/1066409502.db2.gz ZWZINYAGBNDWKD-UHFFFAOYSA-N 1 2 490.652 4.472 20 0 JIADLO Cc1cccc(CCCn2c(C3CC3)nnc2N2CCC[C@@H](N(C)C(=O)OC(C)(C)C)C2)[nH+]1 ZINC001492526174 1066413960 /nfs/dbraw/zinc/41/39/60/1066413960.db2.gz PEMARWINIQFNFZ-OAQYLSRUSA-N 1 2 454.619 4.327 20 0 JIADLO Cc1cccc(CCCn2c(CNC(=O)c3cccs3)nnc2N2CC[C@@H](C(C)(C)C)C2)[nH+]1 ZINC001492526842 1066417646 /nfs/dbraw/zinc/41/76/46/1066417646.db2.gz NFZYUFDPTYLXRA-LJQANCHMSA-N 1 2 466.655 4.478 20 0 JIADLO Cc1cccc(CCCn2c(COc3ccc(F)cc3)nnc2N(C)Cc2nccs2)[nH+]1 ZINC001492526991 1066419002 /nfs/dbraw/zinc/41/90/02/1066419002.db2.gz RQMGLHVLGDYQLV-UHFFFAOYSA-N 1 2 452.559 4.425 20 0 JIADLO Cc1cccc(CCCn2c([C@@H]3COCCN3C(=O)OC(C)(C)C)nnc2N2CCC(C)CC2)[nH+]1 ZINC001492526924 1066419150 /nfs/dbraw/zinc/41/91/50/1066419150.db2.gz QACNGAYUPAPIII-QFIPXVFZSA-N 1 2 484.645 4.159 20 0 JIADLO Cc1nc(Cc2nnc(N3CCN(CC(F)(F)F)[C@H](C)C3)n2CCCc2cccc(C)[nH+]2)cs1 ZINC001492527034 1066419174 /nfs/dbraw/zinc/41/91/74/1066419174.db2.gz TXKCAZXOIVLEMU-QGZVFWFLSA-N 1 2 493.603 4.043 20 0 JIADLO Cc1cccc(CCCn2c(CC(C)(C)C)nnc2N2CCC[C@@H](NC(=O)C(C)(C)C)C2)[nH+]1 ZINC001492527230 1066420346 /nfs/dbraw/zinc/42/03/46/1066420346.db2.gz XXPGMOSRVAJZNO-OAQYLSRUSA-N 1 2 454.663 4.334 20 0 JIADLO Cc1cccc(CCCn2c([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)nnc2N(C)Cc2ccon2)[nH+]1 ZINC001492527396 1066421373 /nfs/dbraw/zinc/42/13/73/1066421373.db2.gz GHEJBYNSDXUSKT-RVWIWJKTSA-N 1 2 481.601 4.009 20 0 JIADLO C[C@@H]1CN(c2nnc(Cc3ccncc3)n2C[C@H](c2c(F)cccc2F)[NH+](C)C)C[C@H]1C(F)(F)F ZINC001316490824 1066425733 /nfs/dbraw/zinc/42/57/33/1066425733.db2.gz GYICHXSRYMETGD-WRWLIDTKSA-N 1 2 494.512 4.480 20 0 JIADLO Fc1ccc(-c2nn(C[N@@H+]3CC[C@H]4CCCC[C@H]4C3)c(=S)n2CCN2CCOCC2)cc1 ZINC001337047572 1066455441 /nfs/dbraw/zinc/45/54/41/1066455441.db2.gz WLLNKBBVXXSDPU-CTNGQTDRSA-N 1 2 459.635 4.022 20 0 JIADLO Fc1ccc(-c2nn(C[N@H+]3CC[C@H]4CCCC[C@H]4C3)c(=S)n2CCN2CCOCC2)cc1 ZINC001337047572 1066455453 /nfs/dbraw/zinc/45/54/53/1066455453.db2.gz WLLNKBBVXXSDPU-CTNGQTDRSA-N 1 2 459.635 4.022 20 0 JIADLO CC(C)(C)c1ccc([C@]2(C)NC(=O)N(C[NH+]3CCC([C@@H]4c5ccccc5NC4=O)CC3)C2=O)cc1 ZINC001338310058 1066545156 /nfs/dbraw/zinc/54/51/56/1066545156.db2.gz IRHNQOSLEYUYMU-LXFBAYGMSA-N 1 2 474.605 4.157 20 0 JIADLO CC(C)(C)c1ccc([C@@]2(C)NC(=O)N(C[NH+]3CCC([C@@H]4c5ccccc5NC4=O)CC3)C2=O)cc1 ZINC001338310068 1066545407 /nfs/dbraw/zinc/54/54/07/1066545407.db2.gz IRHNQOSLEYUYMU-QDPGVEIFSA-N 1 2 474.605 4.157 20 0 JIADLO Cc1cccc([C@H](Cn2c(N3CCC=C(Br)C3)nnc2C(C)(C)C)[NH+]2CCOCC2)c1 ZINC001492480536 1066626530 /nfs/dbraw/zinc/62/65/30/1066626530.db2.gz MWQQTHNCRIIZHA-NRFANRHFSA-N 1 2 488.474 4.446 20 0 JIADLO CCOC(=O)c1c2c(sc1NC(=O)[C@@H](C)Sc1nnc(C)o1)C[N@@H+](Cc1ccccc1)CC2 ZINC001317689453 1066630440 /nfs/dbraw/zinc/63/04/40/1066630440.db2.gz KKIQSSNTIXCOEC-CQSZACIVSA-N 1 2 486.619 4.294 20 0 JIADLO CCOC(=O)c1c2c(sc1NC(=O)[C@@H](C)Sc1nnc(C)o1)C[N@H+](Cc1ccccc1)CC2 ZINC001317689453 1066630447 /nfs/dbraw/zinc/63/04/47/1066630447.db2.gz KKIQSSNTIXCOEC-CQSZACIVSA-N 1 2 486.619 4.294 20 0 JIADLO C[C@]1(c2ccccc2Br)NC(=O)N(C[NH+]2CCC(c3nc4ccccc4o3)CC2)C1=O ZINC001317702563 1066636764 /nfs/dbraw/zinc/63/67/64/1066636764.db2.gz JVXIHKLNHRPQTA-HSZRJFAPSA-N 1 2 483.366 4.194 20 0 JIADLO O=C(CCn1cnc2ccccc2c1=O)O[C@H](Cn1cc[nH+]c1)c1ccc(Cl)cc1Cl ZINC001345702128 1066645995 /nfs/dbraw/zinc/64/59/95/1066645995.db2.gz BJRVJHOOHDVXBD-HXUWFJFHSA-N 1 2 457.317 4.275 20 0 JIADLO O=C(O[C@H](Cn1cc[nH+]c1)c1ccc(Cl)cc1Cl)[C@@H]1CCCN(C(=O)N2CCCC2)C1 ZINC001348693938 1066771129 /nfs/dbraw/zinc/77/11/29/1066771129.db2.gz YOWIAWVTGVAQGN-OXQOHEQNSA-N 1 2 465.381 4.402 20 0 JIADLO O=C(COCCOc1ccccc1)N1CC[NH+](Cc2ccc(-c3ccccc3F)s2)CC1 ZINC001348922402 1066790489 /nfs/dbraw/zinc/79/04/89/1066790489.db2.gz YTUPMFSVDWMMPE-UHFFFAOYSA-N 1 2 454.567 4.294 20 0 JIADLO O=C(Nc1ccc2[nH]c(C[NH+]3CCCCC3)nc2c1)c1cc(S(=O)(=O)Nc2ccccc2F)c[nH]1 ZINC001318213608 1066962298 /nfs/dbraw/zinc/96/22/98/1066962298.db2.gz HQKPACFFJBQUNO-UHFFFAOYSA-N 1 2 496.568 4.069 20 0 JIADLO O=C(Nc1ccc2nc(C[NH+]3CCCCC3)[nH]c2c1)c1cc(S(=O)(=O)Nc2ccccc2F)c[nH]1 ZINC001318213608 1066962307 /nfs/dbraw/zinc/96/23/07/1066962307.db2.gz HQKPACFFJBQUNO-UHFFFAOYSA-N 1 2 496.568 4.069 20 0 JIADLO O=C(CCNC(=O)c1ccccc1-c1ncc(-c2ccc(F)cc2)o1)N1CCN(c2cccc[nH+]2)CC1 ZINC001318221104 1066968350 /nfs/dbraw/zinc/96/83/50/1066968350.db2.gz LLUZREXIRKAFAA-UHFFFAOYSA-N 1 2 499.546 4.011 20 0 JIADLO CS(=O)(=O)Nc1cc2ccccc2cc1C(=O)Nc1ccc2[nH]c(C[NH+]3CCCCC3)nc2c1 ZINC001318230040 1066973483 /nfs/dbraw/zinc/97/34/83/1066973483.db2.gz QSJQQQQCQMYWDU-UHFFFAOYSA-N 1 2 477.590 4.326 20 0 JIADLO COC(=O)c1cc(C(=O)NC[C@H](c2c(F)cccc2Cl)[NH+]2CCCC2)n(-c2ccccc2)n1 ZINC001318246985 1066981902 /nfs/dbraw/zinc/98/19/02/1066981902.db2.gz YVUWRXMPJAVTDU-OAQYLSRUSA-N 1 2 470.932 4.018 20 0 JIADLO CCCCOc1ccc(C(=O)NCC(=O)Nc2ccc3nc(C[NH+]4CCCCC4)[nH]c3c2)cc1 ZINC001318270207 1066994109 /nfs/dbraw/zinc/99/41/09/1066994109.db2.gz LAYJPWQQJLYJHH-UHFFFAOYSA-N 1 2 463.582 4.096 20 0 JIADLO Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)C(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001350762721 1066998268 /nfs/dbraw/zinc/99/82/68/1066998268.db2.gz NZKDKCSXZJRRKP-XHSDSOJGSA-N 1 2 452.521 4.414 20 0 JIADLO Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)C(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001350762721 1066998277 /nfs/dbraw/zinc/99/82/77/1066998277.db2.gz NZKDKCSXZJRRKP-XHSDSOJGSA-N 1 2 452.521 4.414 20 0 JIADLO CCOc1ccc(CN(CCCn2cc[nH+]c2)C(=O)C2=NN(c3cccc(C)c3)C(=O)CC2)cc1 ZINC001318282009 1067000897 /nfs/dbraw/zinc/00/08/97/1067000897.db2.gz RPKLTMZXYNLJOV-UHFFFAOYSA-N 1 2 473.577 4.192 20 0 JIADLO O=C1C[C@H]([NH+]2CCC([C@@H]3C(=O)Nc4ccccc43)CC2)C(=O)N1c1ccc(Cl)c(C(F)(F)F)c1 ZINC001318338960 1067023029 /nfs/dbraw/zinc/02/30/29/1067023029.db2.gz SBMPGHPMUJFJOF-FPOVZHCZSA-N 1 2 491.897 4.439 20 0 JIADLO O=C(Nc1ccc2nc(C[NH+]3CCCCC3)[nH]c2c1)c1cn(-c2ccccc2C(F)(F)F)nn1 ZINC001318417308 1067040380 /nfs/dbraw/zinc/04/03/80/1067040380.db2.gz FYHBZQCQBVLADX-UHFFFAOYSA-N 1 2 469.471 4.401 20 0 JIADLO O=C(Cc1csc(NC(=O)c2ccccc2)n1)Nc1ccc2nc(C[NH+]3CCCCC3)[nH]c2c1 ZINC001318417808 1067040525 /nfs/dbraw/zinc/04/05/25/1067040525.db2.gz LKHXSZJXMAFDLE-UHFFFAOYSA-N 1 2 474.590 4.439 20 0 JIADLO COc1cc[nH+]cc1Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@H](OC(C)(C)C)C1 ZINC001300693687 1067046024 /nfs/dbraw/zinc/04/60/24/1067046024.db2.gz KFBGUJITOHBRTP-SFHVURJKSA-N 1 2 456.978 4.229 20 0 JIADLO COc1cc[nH+]cc1Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCOC(C)(C)[C@H]1C ZINC001300693636 1067046134 /nfs/dbraw/zinc/04/61/34/1067046134.db2.gz IJNKFJQYJJGLLO-OAHLLOKOSA-N 1 2 459.497 4.002 20 0 JIADLO COc1cc[nH+]cc1Cn1c(COc2cccc(C)c2)nnc1N1CCC(OC(C)(C)C)CC1 ZINC001300694554 1067049082 /nfs/dbraw/zinc/04/90/82/1067049082.db2.gz BUIDCBNPTSESGR-UHFFFAOYSA-N 1 2 465.598 4.401 20 0 JIADLO COc1cc[nH+]cc1Cn1c(Cn2nc(C)cc2C)nnc1N(C)Cc1ccccc1C(F)(F)F ZINC001300695111 1067050621 /nfs/dbraw/zinc/05/06/21/1067050621.db2.gz LLRQOPGJBFTBLD-UHFFFAOYSA-N 1 2 485.514 4.247 20 0 JIADLO COc1cc[nH+]cc1Cn1c(CCOc2ccccc2)nnc1N1CCC[C@@H](OC(C)(C)C)C1 ZINC001300695125 1067050916 /nfs/dbraw/zinc/05/09/16/1067050916.db2.gz LXRBQMXPMGZRFH-JOCHJYFZSA-N 1 2 465.598 4.135 20 0 JIADLO COc1cc[nH+]cc1Cn1c(COc2ccc(Br)cc2)nnc1N(C)CCC1CC1 ZINC001300695138 1067051579 /nfs/dbraw/zinc/05/15/79/1067051579.db2.gz MEUCQQHRGHABSA-UHFFFAOYSA-N 1 2 472.387 4.308 20 0 JIADLO COc1cc[nH+]cc1Cn1c(COc2ccc(Br)cc2)nnc1N1CCC[C@@H]1C ZINC001300695562 1067052078 /nfs/dbraw/zinc/05/20/78/1067052078.db2.gz YLDREUUKLFOPPB-HNNXBMFYSA-N 1 2 458.360 4.060 20 0 JIADLO COc1cc[nH+]cc1Cn1c(CCCOc2ccc(Cl)cc2C)nnc1N1CCCO[C@@H](C)C1 ZINC001300695570 1067052578 /nfs/dbraw/zinc/05/25/78/1067052578.db2.gz YNEUAMJPYNGAEZ-IBGZPJMESA-N 1 2 486.016 4.319 20 0 JIADLO O=C(Nc1ccc2nc(C[NH+]3CCCCC3)[nH]c2c1)c1csc(I)c1 ZINC001318585804 1067053507 /nfs/dbraw/zinc/05/35/07/1067053507.db2.gz JUKDKXHDERMHKM-UHFFFAOYSA-N 1 2 466.348 4.467 20 0 JIADLO COc1cc[nH+]cc1Cn1c(CC(C)(C)C)nnc1N1CCN(c2ncc(Cl)cc2Cl)CC1 ZINC001300696555 1067053888 /nfs/dbraw/zinc/05/38/88/1067053888.db2.gz FIMPOIYREFGWNI-UHFFFAOYSA-N 1 2 490.439 4.347 20 0 JIADLO COc1cc[nH+]cc1Cn1c(C2CCCC2)nnc1N1CCC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC001300696836 1067055043 /nfs/dbraw/zinc/05/50/43/1067055043.db2.gz ILEPQUIBCITVSD-SFHVURJKSA-N 1 2 470.618 4.129 20 0 JIADLO COc1cc[nH+]cc1Cn1c(COc2ccccc2F)nnc1N1C[C@@H](C)C(F)(F)[C@@H](C)C1 ZINC001300701770 1067062239 /nfs/dbraw/zinc/06/22/39/1067062239.db2.gz HGOSMRMSPNUSEZ-IYBDPMFKSA-N 1 2 461.488 4.176 20 0 JIADLO COc1cc[nH+]cc1Cn1c(COc2ccc(C)c(C)c2)nnc1N(C)CCc1nccs1 ZINC001300702405 1067064406 /nfs/dbraw/zinc/06/44/06/1067064406.db2.gz RMILYYANKZQSHD-UHFFFAOYSA-N 1 2 464.595 4.061 20 0 JIADLO COc1cc[nH+]cc1Cn1c(N(C)Cc2ccccc2SC)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001300702810 1067066413 /nfs/dbraw/zinc/06/64/13/1067066413.db2.gz VRCVMXLASOZMDT-RUZDIDTESA-N 1 2 483.638 4.129 20 0 JIADLO COCCn1cc(NC(=O)N2CC[NH+]([C@@H](c3ccccc3)c3ccccc3Cl)CC2)ccc1=O ZINC001321440635 1067131690 /nfs/dbraw/zinc/13/16/90/1067131690.db2.gz RIWYAIAKPWWKNI-VWLOTQADSA-N 1 2 480.996 4.087 20 0 JIADLO Cc1sc2nc(CN3CC[NH+](Cc4cnc(-c5ccccc5)s4)CC3)[nH]c(=O)c2c1C ZINC001321459121 1067136498 /nfs/dbraw/zinc/13/64/98/1067136498.db2.gz ZIKBFVUXWKLESQ-UHFFFAOYSA-N 1 2 451.621 4.455 20 0 JIADLO O=C(Nc1ccccc1OCCn1cc[nH+]c1)c1nn(-c2ccccc2F)cc1Br ZINC001322108598 1067252767 /nfs/dbraw/zinc/25/27/67/1067252767.db2.gz DUGZGHJLXFTHIJ-UHFFFAOYSA-N 1 2 470.302 4.302 20 0 JIADLO Cc1ccc(-c2nn(-c3ccccc3Cl)cc2C(=O)NCC(C)(C)[NH+]2CCOCC2)cc1 ZINC001351967064 1067259194 /nfs/dbraw/zinc/25/91/94/1067259194.db2.gz NDEMYNSJYHKSDW-UHFFFAOYSA-N 1 2 452.986 4.342 20 0 JIADLO Cc1cccc(OCCn2c(CC(C)C)nnc2N2CCN(c3cc(C)[nH+]c(C(C)C)n3)CC2)c1 ZINC001492551274 1067293482 /nfs/dbraw/zinc/29/34/82/1067293482.db2.gz IVIJLHOFCCAWQB-UHFFFAOYSA-N 1 2 477.657 4.412 20 0 JIADLO C[NH+]1CCN(C(=O)c2ccccc2NC(=O)c2ccc(Oc3ccccc3Cl)nc2)CC1 ZINC001352334207 1067333936 /nfs/dbraw/zinc/33/39/36/1067333936.db2.gz QDUWGPAFUQMMLR-UHFFFAOYSA-N 1 2 450.926 4.167 20 0 JIADLO COc1ccc(-c2nnc(N(C)Cc3cccs3)n2Cc2c[nH+]ccc2OC)c(OC)c1 ZINC001300001436 1067339805 /nfs/dbraw/zinc/33/98/05/1067339805.db2.gz AEYDXLNCUCDDIG-UHFFFAOYSA-N 1 2 451.552 4.112 20 0 JIADLO COc1ccc(-c2nnc(N(C)Cc3ncc(Cl)n3C)n2CCCc2cccc(C)[nH+]2)cc1 ZINC001300006531 1067355676 /nfs/dbraw/zinc/35/56/76/1067355676.db2.gz QCOSXCDEZMXNRW-UHFFFAOYSA-N 1 2 465.989 4.313 20 0 JIADLO COc1ccc(-c2nnc(N3CCC(F)(F)CC3)n2Cc2c[nH+]ccc2OC)cc1Br ZINC001300041740 1067474460 /nfs/dbraw/zinc/47/44/60/1067474460.db2.gz MDPMYJCWJZKCKI-UHFFFAOYSA-N 1 2 494.340 4.404 20 0 JIADLO COc1ccc(-c2nnc(N3CC[NH+](Cc4cc(C)no4)CC3)n2CCCC(C)C)c(OC)c1 ZINC001300074855 1067598824 /nfs/dbraw/zinc/59/88/24/1067598824.db2.gz HIAFKVCJBOWTCH-UHFFFAOYSA-N 1 2 468.602 4.017 20 0 JIADLO CNC(=O)Nc1ccc(C(=O)N2CC[NH+](Cc3ccc(-c4ccccc4F)s3)CC2)cc1 ZINC001355907441 1067605615 /nfs/dbraw/zinc/60/56/15/1067605615.db2.gz SQADFLQZQMKPFM-UHFFFAOYSA-N 1 2 452.555 4.264 20 0 JIADLO Cc1cccc(Nc2nnc(SCCC(=O)N3CCN(c4cccc[nH+]4)CC3)s2)c1C ZINC000501539198 1067702122 /nfs/dbraw/zinc/70/21/22/1067702122.db2.gz PDEXDUSDGNGUFW-UHFFFAOYSA-N 1 2 454.625 4.125 20 0 JIADLO COc1ccc(CCc2nnc(N3CCC(OC(C)(C)C)CC3)n2Cc2c[nH+]ccc2OC)cc1 ZINC001300120119 1067736001 /nfs/dbraw/zinc/73/60/01/1067736001.db2.gz NMGLFTFSDMWNHI-UHFFFAOYSA-N 1 2 479.625 4.308 20 0 JIADLO CC(=O)N1CC[C@H](NC(=O)[C@@H](c2cccc(Br)c2)[NH+]2CCCC2)c2ccccc21 ZINC001356404728 1067745352 /nfs/dbraw/zinc/74/53/52/1067745352.db2.gz XBBKJJYMPAYZRO-RBBKRZOGSA-N 1 2 456.384 4.200 20 0 JIADLO COc1ccc(CN(C)c2nnc(CC(C)C)n2Cc2cc[nH+]c(N3CCCCC3)c2)cc1O ZINC001300173100 1067832440 /nfs/dbraw/zinc/83/24/40/1067832440.db2.gz OEFCGBDDMPOADF-UHFFFAOYSA-N 1 2 464.614 4.261 20 0 JIADLO Cc1ccnc(OC2CCN(C(=O)[C@H](c3ccc(Br)cc3)[NH+]3CCCC3)CC2)c1 ZINC001357453982 1067851955 /nfs/dbraw/zinc/85/19/55/1067851955.db2.gz HHIMQCOSZCSZBH-QFIPXVFZSA-N 1 2 458.400 4.359 20 0 JIADLO CC(C)c1nc(C(=O)Nc2ccccc2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)nn1-c1cccc(F)c1 ZINC001357518705 1067863123 /nfs/dbraw/zinc/86/31/23/1067863123.db2.gz GUEJBWZABTXHEY-HDICACEKSA-N 1 2 451.546 4.391 20 0 JIADLO CC(C)c1nc(C(=O)Nc2ccccc2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)nn1-c1cccc(F)c1 ZINC001357518705 1067863126 /nfs/dbraw/zinc/86/31/26/1067863126.db2.gz GUEJBWZABTXHEY-HDICACEKSA-N 1 2 451.546 4.391 20 0 JIADLO CC(C)(C)OC1CC(CC(=O)NCc2cc[nH+]c(N3CCN(c4ccc(F)cc4)CC3)c2)C1 ZINC001357552871 1067868914 /nfs/dbraw/zinc/86/89/14/1067868914.db2.gz QTUYONUSEHVOKP-UHFFFAOYSA-N 1 2 454.590 4.147 20 0 JIADLO Cc1ccccc1-c1nnc(N(C)CCC(F)F)n1C[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC001492559255 1067884260 /nfs/dbraw/zinc/88/42/60/1067884260.db2.gz VRHCZGAFSJRAOS-IBGZPJMESA-N 1 2 461.582 4.480 20 0 JIADLO COc1ccc(C[NH+]2CCN(c3nnc(C(C)(C)C)n3C[C@@H]3CCCO[C@@H]3C(C)C)CC2)cc1F ZINC001300230911 1067911480 /nfs/dbraw/zinc/91/14/80/1067911480.db2.gz NKBJTVLSEBQPFJ-XUZZJYLKSA-N 1 2 487.664 4.497 20 0 JIADLO COc1ccc(C[NH+]2CCN(c3nnc(C(C)(C)C)n3CCc3nc(C)c(C)s3)CC2)cc1F ZINC001300231344 1067914074 /nfs/dbraw/zinc/91/40/74/1067914074.db2.gz WMWIDGCIQBTSNR-UHFFFAOYSA-N 1 2 486.661 4.362 20 0 JIADLO CCCOc1ccc(C(C)(C)C)cc1S(=O)(=O)N1Cc2c[nH+]cn2C[C@@H](COc2ccccn2)C1 ZINC001200286153 1067961347 /nfs/dbraw/zinc/96/13/47/1067961347.db2.gz DJVODYWHBPMBMJ-HXUWFJFHSA-N 1 2 498.649 4.264 20 0 JIADLO COc1ccc(F)cc1C[NH+]1CCN(c2nnc(CC3CCCC3)n2C[C@@H](OC)C(C)C)CC1 ZINC001300247925 1067981523 /nfs/dbraw/zinc/98/15/23/1067981523.db2.gz RWYHARDUIOHXIH-XMMPIXPASA-N 1 2 473.637 4.152 20 0 JIADLO COc1ccc(O[C@H](C)Cn2c(CC(C)(C)C)nnc2N2CCc3c(cc[nH+]c3N(C)C)C2)cc1 ZINC001300248735 1067987675 /nfs/dbraw/zinc/98/76/75/1067987675.db2.gz GDYFCINYIKOQAA-LJQANCHMSA-N 1 2 478.641 4.367 20 0 JIADLO C[C@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)c1ccc(-c2noc(C(F)F)n2)cc1 ZINC001358071462 1068008527 /nfs/dbraw/zinc/00/85/27/1068008527.db2.gz BSNGMLMBSAVWDB-QGZVFWFLSA-N 1 2 456.493 4.037 20 0 JIADLO Cc1c(C(=O)N[C@H](c2ccc(Cl)cc2)[C@@H]2C[N@H+](C)CCO2)cnn1-c1ccccc1Cl ZINC001358072681 1068010609 /nfs/dbraw/zinc/01/06/09/1068010609.db2.gz QFULJCBRCOZRPB-FCHUYYIVSA-N 1 2 459.377 4.289 20 0 JIADLO Cc1c(C(=O)N[C@H](c2ccc(Cl)cc2)[C@@H]2C[N@@H+](C)CCO2)cnn1-c1ccccc1Cl ZINC001358072681 1068010624 /nfs/dbraw/zinc/01/06/24/1068010624.db2.gz QFULJCBRCOZRPB-FCHUYYIVSA-N 1 2 459.377 4.289 20 0 JIADLO COc1ccc(OC(F)F)c(Cn2c(CC(C)C)nnc2N2CCc3c(cc[nH+]c3N(C)C)C2)c1 ZINC001300254281 1068011061 /nfs/dbraw/zinc/01/10/61/1068011061.db2.gz QNOBVERUZZNLER-UHFFFAOYSA-N 1 2 486.567 4.159 20 0 JIADLO O=C(Nc1ccc(CN2CCOC2=O)cc1)[C@H](c1cccc(Br)c1)[NH+]1CCCC1 ZINC001358109095 1068021016 /nfs/dbraw/zinc/02/10/16/1068021016.db2.gz MFORXTXBIGPNJK-FQEVSTJZSA-N 1 2 458.356 4.177 20 0 JIADLO O=C(Nc1ccc(CN2CCOC2=O)cc1)[C@@H](c1cccc(Br)c1)[NH+]1CCCC1 ZINC001358109096 1068021407 /nfs/dbraw/zinc/02/14/07/1068021407.db2.gz MFORXTXBIGPNJK-HXUWFJFHSA-N 1 2 458.356 4.177 20 0 JIADLO Cc1ccc(NC(=O)C(C)(C)C)cc1NC(=O)N[C@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC001200313854 1068052291 /nfs/dbraw/zinc/05/22/91/1068052291.db2.gz JXGLTNZGOPLFEP-JOCHJYFZSA-N 1 2 452.599 4.045 20 0 JIADLO CC[C@H](C(=O)NC1CC[NH+](CC(=O)Nc2ccccc2)CC1)c1ccc(Br)cc1 ZINC001353519511 1068258194 /nfs/dbraw/zinc/25/81/94/1068258194.db2.gz XCIHZPBPJNRQDN-NRFANRHFSA-N 1 2 458.400 4.162 20 0 JIADLO Cc1ccc(NC(=O)CSc2nnc(NC(=O)c3ccc(Cn4cc[nH+]c4)cc3)s2)c(C)c1 ZINC000515133398 1068260403 /nfs/dbraw/zinc/26/04/03/1068260403.db2.gz CPUJMQXIKCNJDR-UHFFFAOYSA-N 1 2 478.603 4.383 20 0 JIADLO CCn1cc(C[N@H+](CC(=O)N2N=C(c3ccccc3)C[C@H]2c2ccc(OC)cc2)C(C)C)cn1 ZINC001473605365 1068267912 /nfs/dbraw/zinc/26/79/12/1068267912.db2.gz DXDDAALNKMVPDS-SANMLTNESA-N 1 2 459.594 4.500 20 0 JIADLO CCn1cc(C[N@@H+](CC(=O)N2N=C(c3ccccc3)C[C@H]2c2ccc(OC)cc2)C(C)C)cn1 ZINC001473605365 1068267932 /nfs/dbraw/zinc/26/79/32/1068267932.db2.gz DXDDAALNKMVPDS-SANMLTNESA-N 1 2 459.594 4.500 20 0 JIADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)[C@H](Sc1ccc(F)c(Cl)c1)c1ccccc1 ZINC000517508553 1068295452 /nfs/dbraw/zinc/29/54/52/1068295452.db2.gz MIZTYVBXLWFQHW-JOCHJYFZSA-N 1 2 474.989 4.480 20 0 JIADLO CCCCc1ccc(NC(=S)N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@H+]3C)cc1 ZINC001200385573 1068346893 /nfs/dbraw/zinc/34/68/93/1068346893.db2.gz JMDNOUWUMFEEBU-UHFFFAOYSA-N 1 2 485.723 4.300 20 0 JIADLO CCCCc1ccc(NC(=S)N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@@H+]3C)cc1 ZINC001200385573 1068346907 /nfs/dbraw/zinc/34/69/07/1068346907.db2.gz JMDNOUWUMFEEBU-UHFFFAOYSA-N 1 2 485.723 4.300 20 0 JIADLO CC[NH+](CC)Cc1csc(NC(=O)C2CCN(c3ncnc4sc(C)c(C)c43)CC2)n1 ZINC001353718952 1068507795 /nfs/dbraw/zinc/50/77/95/1068507795.db2.gz KOBTUXNCUZREMA-UHFFFAOYSA-N 1 2 458.657 4.462 20 0 JIADLO CC[N@@H+]1CCn2c(-c3cnn(C)c3)cnc2C12CCN(C(=S)Nc1ccc(F)c(Cl)c1)CC2 ZINC001200581917 1068947814 /nfs/dbraw/zinc/94/78/14/1068947814.db2.gz IXWPSXZAPPMDEV-UHFFFAOYSA-N 1 2 488.036 4.100 20 0 JIADLO CC[N@H+]1CCn2c(-c3cnn(C)c3)cnc2C12CCN(C(=S)Nc1ccc(F)c(Cl)c1)CC2 ZINC001200581917 1068947821 /nfs/dbraw/zinc/94/78/21/1068947821.db2.gz IXWPSXZAPPMDEV-UHFFFAOYSA-N 1 2 488.036 4.100 20 0 JIADLO Cc1ccc([C@@H]([NH2+]Cc2cnc(C3OCCO3)s2)c2cccc(S(C)(=O)=O)c2)c(C)c1 ZINC001200581908 1068947910 /nfs/dbraw/zinc/94/79/10/1068947910.db2.gz UPFQGHQZCLKVDY-NRFANRHFSA-N 1 2 458.605 4.088 20 0 JIADLO COc1ccccc1Cc1nnc(N2C[C@@H](C)[C@H](C(F)(F)F)C2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001300580167 1069112824 /nfs/dbraw/zinc/11/28/24/1069112824.db2.gz RHWWJZSFHOPQRJ-VQIMIIECSA-N 1 2 474.531 4.021 20 0 JIADLO CC[C@@H](C(=O)NC[C@H](c1ccc(SC)cc1)[N@@H+]1CCc2sccc2C1)N1CCCC1=O ZINC001354347063 1069128508 /nfs/dbraw/zinc/12/85/08/1069128508.db2.gz NAHXYPUMBJEBTE-LEWJYISDSA-N 1 2 457.665 4.087 20 0 JIADLO CC[C@@H](C(=O)NC[C@H](c1ccc(SC)cc1)[N@H+]1CCc2sccc2C1)N1CCCC1=O ZINC001354347063 1069128515 /nfs/dbraw/zinc/12/85/15/1069128515.db2.gz NAHXYPUMBJEBTE-LEWJYISDSA-N 1 2 457.665 4.087 20 0 JIADLO CSc1c(F)cccc1C(=O)NCc1cc[nH+]c(N2CCN(c3ccc(F)cc3)CC2)c1 ZINC001354370842 1069145682 /nfs/dbraw/zinc/14/56/82/1069145682.db2.gz FVDVHQQDDHIAQC-UHFFFAOYSA-N 1 2 454.546 4.338 20 0 JIADLO C[C@H]1C[N@H+](CCNC(=O)c2ccc(Oc3ccc(Br)cc3)c(F)c2)[C@@H](C)CO1 ZINC001300610240 1069213557 /nfs/dbraw/zinc/21/35/57/1069213557.db2.gz FVUDCZGDVHLUJJ-GJZGRUSLSA-N 1 2 451.336 4.220 20 0 JIADLO C[C@H]1C[N@@H+](CCNC(=O)c2ccc(Oc3ccc(Br)cc3)c(F)c2)[C@@H](C)CO1 ZINC001300610240 1069213570 /nfs/dbraw/zinc/21/35/70/1069213570.db2.gz FVUDCZGDVHLUJJ-GJZGRUSLSA-N 1 2 451.336 4.220 20 0 JIADLO C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)c1ccc(NC(=O)c2cc(Cl)cc(Cl)c2)cc1 ZINC001300610847 1069216597 /nfs/dbraw/zinc/21/65/97/1069216597.db2.gz JJPNPAGRXHABBA-CABCVRRESA-N 1 2 450.366 4.085 20 0 JIADLO C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)c1ccc(NC(=O)c2cc(Cl)cc(Cl)c2)cc1 ZINC001300610847 1069216601 /nfs/dbraw/zinc/21/66/01/1069216601.db2.gz JJPNPAGRXHABBA-CABCVRRESA-N 1 2 450.366 4.085 20 0 JIADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)[C@H](OC)c1ccc(Br)s1 ZINC001354463920 1069239033 /nfs/dbraw/zinc/23/90/33/1069239033.db2.gz BMMMFVRQIBFITD-LJQANCHMSA-N 1 2 452.418 4.358 20 0 JIADLO CC(C)c1nccc([C@@H]2C[C@@H]3CCN(c4ncnc5c4C[N@H+](Cc4ccccc4)CC5)C[C@H]3O2)n1 ZINC001164639775 719260196 /nfs/dbraw/zinc/26/01/96/719260196.db2.gz RKLUWTZSCUWTDK-OUIFVKKZSA-N 1 2 470.621 4.305 20 0 JIADLO CC(C)c1nccc([C@@H]2C[C@@H]3CCN(c4ncnc5c4C[N@@H+](Cc4ccccc4)CC5)C[C@H]3O2)n1 ZINC001164639775 719260202 /nfs/dbraw/zinc/26/02/02/719260202.db2.gz RKLUWTZSCUWTDK-OUIFVKKZSA-N 1 2 470.621 4.305 20 0 JIADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ncnc3ccc(OC)cc31)CC2 ZINC001164663461 719347291 /nfs/dbraw/zinc/34/72/91/719347291.db2.gz HJXPBGXNYOJRTK-UHFFFAOYSA-N 1 2 454.578 4.333 20 0 JIADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ncnc3ccc(OC)cc31)CC2 ZINC001164663461 719347295 /nfs/dbraw/zinc/34/72/95/719347295.db2.gz HJXPBGXNYOJRTK-UHFFFAOYSA-N 1 2 454.578 4.333 20 0 JIADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ncnc3cc(OC)c(OC)cc31)CC2 ZINC001164662985 719347754 /nfs/dbraw/zinc/34/77/54/719347754.db2.gz BRCRMSYZTIMMDA-UHFFFAOYSA-N 1 2 484.604 4.342 20 0 JIADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ncnc3cc(OC)c(OC)cc31)CC2 ZINC001164662985 719347757 /nfs/dbraw/zinc/34/77/57/719347757.db2.gz BRCRMSYZTIMMDA-UHFFFAOYSA-N 1 2 484.604 4.342 20 0 JIADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nc(Cl)nc3c1ccn3C)CC2 ZINC001164663147 719348468 /nfs/dbraw/zinc/34/84/68/719348468.db2.gz FEVFLMIGLRKEQK-UHFFFAOYSA-N 1 2 462.001 4.316 20 0 JIADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nc(Cl)nc3c1ccn3C)CC2 ZINC001164663147 719348470 /nfs/dbraw/zinc/34/84/70/719348470.db2.gz FEVFLMIGLRKEQK-UHFFFAOYSA-N 1 2 462.001 4.316 20 0 JIADLO CCOC(=O)c1cc(C)cnc1N1CCC2(CC1)c1ncc(-c3ccccc3)n1CC[N@H+]2CC ZINC001164663893 719350198 /nfs/dbraw/zinc/35/01/98/719350198.db2.gz OKQGSYWICJTREA-UHFFFAOYSA-N 1 2 459.594 4.261 20 0 JIADLO CCOC(=O)c1cc(C)cnc1N1CCC2(CC1)c1ncc(-c3ccccc3)n1CC[N@@H+]2CC ZINC001164663893 719350201 /nfs/dbraw/zinc/35/02/01/719350201.db2.gz OKQGSYWICJTREA-UHFFFAOYSA-N 1 2 459.594 4.261 20 0 JIADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1c(C)nc(Cl)nc1OC)CC2 ZINC001164664589 719350547 /nfs/dbraw/zinc/35/05/47/719350547.db2.gz ZRYYUAPFBCULPV-UHFFFAOYSA-N 1 2 452.990 4.142 20 0 JIADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1c(C)nc(Cl)nc1OC)CC2 ZINC001164664589 719350549 /nfs/dbraw/zinc/35/05/49/719350549.db2.gz ZRYYUAPFBCULPV-UHFFFAOYSA-N 1 2 452.990 4.142 20 0 JIADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nc(/C=C/C(=O)OC)cc3cc[nH]c31)CC2 ZINC001164659600 719352531 /nfs/dbraw/zinc/35/25/31/719352531.db2.gz RFMRYVSBXOJUJO-MDZDMXLPSA-N 1 2 496.615 4.444 20 0 JIADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nc(/C=C/C(=O)OC)cc3cc[nH]c31)CC2 ZINC001164659600 719352535 /nfs/dbraw/zinc/35/25/35/719352535.db2.gz RFMRYVSBXOJUJO-MDZDMXLPSA-N 1 2 496.615 4.444 20 0 JIADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ncccc1C(=O)Nc1cc(C)on1)CC2 ZINC001164658594 719353818 /nfs/dbraw/zinc/35/38/18/719353818.db2.gz KAPBVBWZKOOYBX-UHFFFAOYSA-N 1 2 497.603 4.325 20 0 JIADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ncccc1C(=O)Nc1cc(C)on1)CC2 ZINC001164658594 719353822 /nfs/dbraw/zinc/35/38/22/719353822.db2.gz KAPBVBWZKOOYBX-UHFFFAOYSA-N 1 2 497.603 4.325 20 0 JIADLO CCOC(=O)c1c(C)nc(Cl)cc1N1CCC2(CC1)COCC[N@@H+]2Cc1ccc(F)cc1 ZINC001164671115 719501705 /nfs/dbraw/zinc/50/17/05/719501705.db2.gz BPHPCQZCUAAQNH-UHFFFAOYSA-N 1 2 461.965 4.231 20 0 JIADLO CCOC(=O)c1c(C)nc(Cl)cc1N1CCC2(CC1)COCC[N@H+]2Cc1ccc(F)cc1 ZINC001164671115 719501712 /nfs/dbraw/zinc/50/17/12/719501712.db2.gz BPHPCQZCUAAQNH-UHFFFAOYSA-N 1 2 461.965 4.231 20 0 JIADLO Cc1nc(C)c(-c2ccc(N3CCC4(CC3)COCC[N@@H+]4Cc3ccc(F)cc3)nn2)s1 ZINC001164679299 719528096 /nfs/dbraw/zinc/52/80/96/719528096.db2.gz XIARKBBNBUXMOX-UHFFFAOYSA-N 1 2 453.587 4.227 20 0 JIADLO Cc1nc(C)c(-c2ccc(N3CCC4(CC3)COCC[N@H+]4Cc3ccc(F)cc3)nn2)s1 ZINC001164679299 719528104 /nfs/dbraw/zinc/52/81/04/719528104.db2.gz XIARKBBNBUXMOX-UHFFFAOYSA-N 1 2 453.587 4.227 20 0 JIADLO NC(=O)c1ccc(-c2c[nH+]c3n2CCC32CCN(C(F)(F)c3ccnc(Cl)c3F)CC2)cc1 ZINC001164698121 719829832 /nfs/dbraw/zinc/82/98/32/719829832.db2.gz RGRARCIJZSJXPU-UHFFFAOYSA-N 1 2 475.902 4.323 20 0 JIADLO Cc1cc(Cl)ncc1C(F)(F)N1CCC2(CCn3c(-c4ccc(C(N)=O)cc4)c[nH+]c32)CC1 ZINC001164695885 719829851 /nfs/dbraw/zinc/82/98/51/719829851.db2.gz GJWIYMYGWQEEOI-UHFFFAOYSA-N 1 2 471.939 4.493 20 0 JIADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1C(F)(F)c1ccc(-c2ccnc(Cl)c2)cc1 ZINC001164697327 719846554 /nfs/dbraw/zinc/84/65/54/719846554.db2.gz CQLFBHSZJCYDJX-NZQKXSOJSA-N 1 2 479.955 4.180 20 0 JIADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1cc(-c2ccccc2)c2ccc(OC)cc2n1 ZINC001164704435 719868496 /nfs/dbraw/zinc/86/84/96/719868496.db2.gz MAEXSYSTIBMUJR-KMRXNPHXSA-N 1 2 475.589 4.143 20 0 JIADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4nc(-c5ccccc5)nc5ccccc54)CC3)C2=O)cs1 ZINC001164823990 720366137 /nfs/dbraw/zinc/36/61/37/720366137.db2.gz GGJUEPGRKHHZDN-UHFFFAOYSA-N 1 2 498.656 4.375 20 0 JIADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4nc(-c5ccccc5)nc5ccccc54)CC3)C2=O)cs1 ZINC001164823990 720366142 /nfs/dbraw/zinc/36/61/42/720366142.db2.gz GGJUEPGRKHHZDN-UHFFFAOYSA-N 1 2 498.656 4.375 20 0 JIADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4cc(F)cc5ccc(Cl)nc54)CC3)C2=O)cs1 ZINC001164819823 720368991 /nfs/dbraw/zinc/36/89/91/720368991.db2.gz IQZGHIVDIRSUHZ-UHFFFAOYSA-N 1 2 474.005 4.105 20 0 JIADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4cc(F)cc5ccc(Cl)nc54)CC3)C2=O)cs1 ZINC001164819823 720368998 /nfs/dbraw/zinc/36/89/98/720368998.db2.gz IQZGHIVDIRSUHZ-UHFFFAOYSA-N 1 2 474.005 4.105 20 0 JIADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4cc(SCc5ccccc5)ccn4)CC3)C2=O)cs1 ZINC001164822834 720380869 /nfs/dbraw/zinc/38/08/69/720380869.db2.gz MEOROVLMXLWBLH-UHFFFAOYSA-N 1 2 493.702 4.452 20 0 JIADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4cc(SCc5ccccc5)ccn4)CC3)C2=O)cs1 ZINC001164822834 720380876 /nfs/dbraw/zinc/38/08/76/720380876.db2.gz MEOROVLMXLWBLH-UHFFFAOYSA-N 1 2 493.702 4.452 20 0 JIADLO Fc1cccc2c(Cl)nc(C(F)(F)N3Cc4c[nH+]cn4C[C@H](COCC4CC4)C3)nc12 ZINC001164757311 720974177 /nfs/dbraw/zinc/97/41/77/720974177.db2.gz OEAIHNPFTJWKMX-AWEZNQCLSA-N 1 2 451.880 4.227 20 0 JIADLO FC(F)(c1cc(Cl)nc(-c2ccccn2)n1)N1CCC2(CC1)CN(c1cccc[nH+]1)CCO2 ZINC001164871777 721219371 /nfs/dbraw/zinc/21/93/71/721219371.db2.gz LLVMXLNNXZUQLK-UHFFFAOYSA-N 1 2 472.927 4.008 20 0 JIADLO O=C(c1cccnc1N1C[C@@H]2CCC[C@@]2(COc2ccccn2)C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC001164794507 721506345 /nfs/dbraw/zinc/50/63/45/721506345.db2.gz ADXANJSRPXUXFW-QCDSWUKFSA-N 1 2 497.643 4.120 20 0 JIADLO COc1cccc(-c2nc3ccccc3c(N3CCCn4c(C[N@H+](C)C(C)C)nnc4C3)n2)c1 ZINC001165010578 721716485 /nfs/dbraw/zinc/71/64/85/721716485.db2.gz JISXMNPALPFLFS-UHFFFAOYSA-N 1 2 457.582 4.147 20 0 JIADLO COc1cccc(-c2nc3ccccc3c(N3CCCn4c(C[N@@H+](C)C(C)C)nnc4C3)n2)c1 ZINC001165010578 721716491 /nfs/dbraw/zinc/71/64/91/721716491.db2.gz JISXMNPALPFLFS-UHFFFAOYSA-N 1 2 457.582 4.147 20 0 JIADLO Cc1c[nH+]c2n1CCN(C)C21CCN(c2nc(-c3cccnc3)nc3sc4c(c32)CCC4)CC1 ZINC001164918351 721819206 /nfs/dbraw/zinc/81/92/06/721819206.db2.gz PCOJLRPCMKHZDY-UHFFFAOYSA-N 1 2 471.634 4.188 20 0 JIADLO CSCc1nc2sc3c(c2c(N2CCC4(CC2)c2[nH+]cc(C)n2CCN4C)n1)CCCC3 ZINC001164918905 721819601 /nfs/dbraw/zinc/81/96/01/721819601.db2.gz XDOOIOLAMQHQAU-UHFFFAOYSA-N 1 2 468.696 4.379 20 0 JIADLO Cc1cnc2n1CC[N@@H+](C)C21CCN(C(F)(F)c2cccc(-c3ccc(Cl)nn3)c2)CC1 ZINC001164918675 721820227 /nfs/dbraw/zinc/82/02/27/721820227.db2.gz GPFAQNTUYLVYGX-UHFFFAOYSA-N 1 2 458.944 4.288 20 0 JIADLO Cc1cnc2n1CC[N@H+](C)C21CCN(C(F)(F)c2cccc(-c3ccc(Cl)nn3)c2)CC1 ZINC001164918675 721820229 /nfs/dbraw/zinc/82/02/29/721820229.db2.gz GPFAQNTUYLVYGX-UHFFFAOYSA-N 1 2 458.944 4.288 20 0 JIADLO Cc1c[nH+]c2n1CCN(C)C21CCN(c2ccc(-c3ccc(N4CCCCC4)cc3)nn2)CC1 ZINC001164919550 721820594 /nfs/dbraw/zinc/82/05/94/721820594.db2.gz SOOQDTDGQBANOF-UHFFFAOYSA-N 1 2 457.626 4.080 20 0 JIADLO Cc1c[nH+]c2n1CCN(C)C21CCN(c2ncnc3cc(OCc4ccccc4)ccc32)CC1 ZINC001164919954 721821066 /nfs/dbraw/zinc/82/10/66/721821066.db2.gz ZIYPNZQFAXYTOQ-UHFFFAOYSA-N 1 2 454.578 4.155 20 0 JIADLO CC(C)C(=O)NC[C@@H]1CCCN(c2nnc(CC(C)(C)C)n2Cc2cccc(Cn3cc[nH+]c3)c2)C1 ZINC001359629390 1070140124 /nfs/dbraw/zinc/14/01/24/1070140124.db2.gz UPNCRJQIIHUXPD-DEOSSOPVSA-N 1 2 491.684 4.148 20 0 JIADLO CC(C)c1nnc(N2CCC(CC(=O)N3CCCC3)CC2)n1C[C@@H](c1c(F)cccc1F)[NH+](C)C ZINC001359695575 1070354030 /nfs/dbraw/zinc/35/40/30/1070354030.db2.gz NOMVVFZCXBHHSI-QFIPXVFZSA-N 1 2 488.627 4.212 20 0 JIADLO COc1ccc(CN(C)c2nnc(Cc3csc(C)n3)n2Cc2ccc(N(C)C)[nH+]c2)cc1C ZINC001315479607 1064337150 /nfs/dbraw/zinc/33/71/50/1064337150.db2.gz NBLLPIVFSUFMSK-UHFFFAOYSA-N 1 2 477.638 4.097 20 0 JIADLO COc1ccc(C[NH+]2CCN(c3nnc(CC(C)C)n3CCc3nc(C)c(C)s3)CC2)cc1F ZINC001315505707 1064420545 /nfs/dbraw/zinc/42/05/45/1064420545.db2.gz ZEIFHJGUDXJFQX-UHFFFAOYSA-N 1 2 486.661 4.263 20 0 JIADLO COc1ccc(O[C@H](C)Cn2c(C(C)C)nnc2N2CCN(c3cc(C)[nH+]c(C(C)C)n3)CC2)cc1 ZINC001315517584 1064470429 /nfs/dbraw/zinc/47/04/29/1064470429.db2.gz DVMCNSZAELFFIH-OAQYLSRUSA-N 1 2 493.656 4.426 20 0 JIADLO COc1ccc(OCc2nnc(N(C)[C@@H](C)C3CCCCC3)n2CC[N@@H+]2CCN(C)C(C)(C)C2)cc1 ZINC001315525880 1064501847 /nfs/dbraw/zinc/50/18/47/1064501847.db2.gz TYABBSOQRDCBBP-QFIPXVFZSA-N 1 2 498.716 4.297 20 0 JIADLO COc1ccc(OCc2nnc(N(C)[C@@H](C)C3CCCCC3)n2CC[N@H+]2CCN(C)C(C)(C)C2)cc1 ZINC001315525880 1064501861 /nfs/dbraw/zinc/50/18/61/1064501861.db2.gz TYABBSOQRDCBBP-QFIPXVFZSA-N 1 2 498.716 4.297 20 0 JIADLO COc1ccc(OCc2nnc(N3CCC(C(C)C)CC3)n2Cc2c[nH+]ccc2OC)cc1 ZINC001315530684 1064514197 /nfs/dbraw/zinc/51/41/97/1064514197.db2.gz YPNARGFMDXPFEL-UHFFFAOYSA-N 1 2 451.571 4.190 20 0 JIADLO COc1ccc(OCCn2c(CC(C)C)nnc2N2CCN(c3cc(C)[nH+]c(C(C)C)n3)CC2)cc1 ZINC001315541468 1064539210 /nfs/dbraw/zinc/53/92/10/1064539210.db2.gz GKQWLSOCGLXIAX-UHFFFAOYSA-N 1 2 493.656 4.113 20 0 JIADLO COc1cccc(-c2nnc(N3CC[C@H](NC(=O)OC(C)(C)C)C3)n2CCCc2cccc(C)[nH+]2)c1 ZINC001315566118 1064597949 /nfs/dbraw/zinc/59/79/49/1064597949.db2.gz LZRPJXAJYXNBLJ-QFIPXVFZSA-N 1 2 492.624 4.393 20 0 JIADLO COc1ccccc1-c1nnc(N(C)C[C@@H](c2cccs2)[NH+]2CCOCC2)n1CCOC(C)(C)C ZINC001315592435 1064684150 /nfs/dbraw/zinc/68/41/50/1064684150.db2.gz YCUHBVTXTWEMGE-NRFANRHFSA-N 1 2 499.681 4.340 20 0 JIADLO COc1ccccc1C[C@H](C)N(C)c1nnc([C@@H]2CCCCO2)n1Cc1c[nH+]ccc1OC ZINC001315613379 1064736357 /nfs/dbraw/zinc/73/63/57/1064736357.db2.gz PTXAUBAJOMBZLK-MBSDFSHPSA-N 1 2 451.571 4.048 20 0 JIADLO COc1ccccc1SCc1nnc(N2CCC[C@@H](C(F)(F)F)C2)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001315665398 1064878834 /nfs/dbraw/zinc/87/88/34/1064878834.db2.gz BMLXIXPPZOJBCJ-ZWKOTPCHSA-N 1 2 499.603 4.078 20 0 JIADLO COc1ccccc1SCc1nnc(N2CCC[C@@H](C(F)(F)F)C2)n1CC[N@H+]1CCOC[C@@H]1C ZINC001315665398 1064878836 /nfs/dbraw/zinc/87/88/36/1064878836.db2.gz BMLXIXPPZOJBCJ-ZWKOTPCHSA-N 1 2 499.603 4.078 20 0 JIADLO COc1cc[nH+]cc1Cn1c(-c2ccccc2C)nnc1N1CCC[C@@H](OCC(F)(F)F)C1 ZINC001315668989 1064894078 /nfs/dbraw/zinc/89/40/78/1064894078.db2.gz FXKODEMCHANOAD-GOSISDBHSA-N 1 2 461.488 4.253 20 0 JIADLO COc1cc[nH+]cc1Cn1c(-c2ccc(Br)s2)nnc1N1C[C@H](OC)C(C)(C)C1 ZINC001315668970 1064894162 /nfs/dbraw/zinc/89/41/62/1064894162.db2.gz FJNSSBFXLMUKNF-INIZCTEOSA-N 1 2 478.416 4.082 20 0 JIADLO COc1cc[nH+]cc1Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N(C)Cc1cnn(C)c1C ZINC001315669132 1064895513 /nfs/dbraw/zinc/89/55/13/1064895513.db2.gz HAXKCWKCNNSYSR-UHFFFAOYSA-N 1 2 459.598 4.373 20 0 JIADLO COc1cc[nH+]cc1Cn1c(COc2ccc(F)cc2)nnc1N1CCC[C@@H](C(F)(F)F)C1 ZINC001315671693 1064901518 /nfs/dbraw/zinc/90/15/18/1064901518.db2.gz FMBWYAOEUVUMNF-MRXNPFEDSA-N 1 2 465.451 4.227 20 0 JIADLO COc1cc[nH+]cc1Cn1c(COc2cc(C)cc(C)c2)nnc1N(C)Cc1scnc1C ZINC001315671849 1064902102 /nfs/dbraw/zinc/90/21/02/1064902102.db2.gz HCKMNUFSKYWBNS-UHFFFAOYSA-N 1 2 464.595 4.327 20 0 JIADLO COc1cc[nH+]cc1Cn1c(COc2ccccc2OC)nnc1N1CCC[C@@H](C(C)C)C1 ZINC001315672141 1064902487 /nfs/dbraw/zinc/90/24/87/1064902487.db2.gz JBNWTPPOUAPKNZ-LJQANCHMSA-N 1 2 451.571 4.190 20 0 JIADLO COc1cc[nH+]cc1Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC(C)CC1 ZINC001315672381 1064903581 /nfs/dbraw/zinc/90/35/81/1064903581.db2.gz QHCWAGFLDXDQMF-LJQANCHMSA-N 1 2 470.618 4.081 20 0 JIADLO COc1cc[nH+]cc1Cn1c(COc2cccc(C)c2)nnc1N1CCC(OC(C)C)CC1 ZINC001315672880 1064903917 /nfs/dbraw/zinc/90/39/17/1064903917.db2.gz RFPVXWDZQUBFBR-UHFFFAOYSA-N 1 2 451.571 4.011 20 0 JIADLO COc1cc[nH+]cc1Cn1c(CC(C)(C)C)nnc1N1CC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC001315673101 1064905276 /nfs/dbraw/zinc/90/52/76/1064905276.db2.gz WWSVSZFHZJBCCU-MSOLQXFVSA-N 1 2 472.634 4.058 20 0 JIADLO COc1cc[nH+]cc1Cn1c(N(C)C[C@@H](C)c2ccccc2)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001315673264 1064906067 /nfs/dbraw/zinc/90/60/67/1064906067.db2.gz XBTWUQIRZGSCRY-FQRUVTKNSA-N 1 2 465.598 4.011 20 0 JIADLO COc1cc[nH+]cc1Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCS[C@H](C)[C@@H]1C ZINC001315673479 1064906912 /nfs/dbraw/zinc/90/69/12/1064906912.db2.gz CVYLOFXSYLOJCR-SCTDSRPQSA-N 1 2 488.658 4.132 20 0 JIADLO COC[C@H]1CCCCN(c2nnc(Cc3cccnc3)n2C[C@H](c2c(F)cccc2F)[NH+](C)C)C1 ZINC001315883048 1065324889 /nfs/dbraw/zinc/32/48/89/1065324889.db2.gz ULXKHUVFRQEIHP-NZQKXSOJSA-N 1 2 484.595 4.098 20 0 JIADLO COCCN(CC(C)C)c1nnc(-c2cccc(C)n2)n1Cc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC001316080255 1065726179 /nfs/dbraw/zinc/72/61/79/1065726179.db2.gz VKQOMZAEIZXDOL-UHFFFAOYSA-N 1 2 463.561 4.130 20 0 JIADLO COCCN(c1nnc(C(C)(C)C)n1C[C@@H]1C[N@H+](Cc2ccccc2)CCO1)[C@H]1CC[C@H](C)C1 ZINC001316081378 1065727490 /nfs/dbraw/zinc/72/74/90/1065727490.db2.gz NBBILHNSNVUJRP-XWGVYQGASA-N 1 2 469.674 4.118 20 0 JIADLO COCCN(c1nnc(C(C)(C)C)n1C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)[C@H]1CC[C@H](C)C1 ZINC001316081378 1065727501 /nfs/dbraw/zinc/72/75/01/1065727501.db2.gz NBBILHNSNVUJRP-XWGVYQGASA-N 1 2 469.674 4.118 20 0 JIADLO COCCO[C@H](C)c1nnc(N2C[C@H](C)CC(C)(C)C2)n1C[C@@H](c1cccc(C)c1)[NH+]1CCOCC1 ZINC001316160178 1065826426 /nfs/dbraw/zinc/82/64/26/1065826426.db2.gz HBMRYXBLRNIVOH-OYRHQHFDSA-N 1 2 499.700 4.256 20 0 JIADLO COCCO[C@H]1CCCN(c2nnc(-c3ccc(C)o3)n2C[C@H](c2c(F)cccc2F)[NH+](C)C)C1 ZINC001316239301 1065975820 /nfs/dbraw/zinc/97/58/20/1065975820.db2.gz ZZCIOCVBRZDVJB-GHTZIAJQSA-N 1 2 489.567 4.059 20 0 JIADLO CON(C)c1nnc(CCCOc2ccc(Cl)cc2C)n1C[C@@H]1CCCn2cc(C)[nH+]c21 ZINC001316313915 1066070448 /nfs/dbraw/zinc/07/04/48/1066070448.db2.gz NOCBIYOONQIXEL-SFHVURJKSA-N 1 2 458.994 4.332 20 0 JIADLO CS[C@H](C)Cn1c(-c2cccc(Cl)c2)nnc1N1CC[NH+](Cc2cnc(C)s2)CC1 ZINC001316377673 1066143017 /nfs/dbraw/zinc/14/30/17/1066143017.db2.gz PLWIGRDTULLKQA-OAHLLOKOSA-N 1 2 463.076 4.437 20 0 JIADLO CC[NH+](CC)Cc1nc(C2(NC(=O)c3cc4c(cccc4OC(F)(F)F)[nH]3)CCCC2)no1 ZINC001324552345 1066222043 /nfs/dbraw/zinc/22/20/43/1066222043.db2.gz BUEFPLXVGPGFST-UHFFFAOYSA-N 1 2 465.476 4.491 20 0 JIADLO CSC[C@H]1CCCN1c1nnc(CSc2ccc(Cl)cc2)n1C[C@@H](C)[NH+]1CCOCC1 ZINC001316442196 1066303534 /nfs/dbraw/zinc/30/35/34/1066303534.db2.gz JTQASHMXKYHXRV-IEBWSBKVSA-N 1 2 482.119 4.276 20 0 JIADLO Cc1cccc(-c2nnc(N3C[C@H](C)OC(C)(C)C3)n2C[C@H](c2c(F)cccc2F)[NH+](C)C)n1 ZINC001492506988 1066329649 /nfs/dbraw/zinc/32/96/49/1066329649.db2.gz OITJOMLOCSZCGL-LAUBAEHRSA-N 1 2 470.568 4.233 20 0 JIADLO Cc1cccc(CCCn2c(C(=O)NCc3ccc(Cl)cc3)nnc2N(C)CC(C)C)[nH+]1 ZINC001492525110 1066403681 /nfs/dbraw/zinc/40/36/81/1066403681.db2.gz JDAYYSFGLZYKPY-UHFFFAOYSA-N 1 2 455.006 4.290 20 0 JIADLO Cc1cccc(CCCn2c(-c3ccc(Cl)cc3Cl)nnc2N2CC(=O)N(C)C[C@H]2C)[nH+]1 ZINC001492525483 1066405854 /nfs/dbraw/zinc/40/58/54/1066405854.db2.gz BUFCGZFKRIFVED-MRXNPFEDSA-N 1 2 473.408 4.255 20 0 JIADLO Cc1cccc(CCCn2c(C3CCCC3)nnc2N2CCN(CC(F)(F)C(F)F)CC2)[nH+]1 ZINC001492525408 1066406110 /nfs/dbraw/zinc/40/61/10/1066406110.db2.gz ATICNSKTCMSDEB-UHFFFAOYSA-N 1 2 468.543 4.294 20 0 JIADLO Cc1cccc(CCCn2c(-c3ccc(Cl)cc3)nnc2N(C)[C@H](C)[C@@H](C)S(C)(=O)=O)[nH+]1 ZINC001492525677 1066407103 /nfs/dbraw/zinc/40/71/03/1066407103.db2.gz VNJAZXHSZGYPNQ-QZTJIDSGSA-N 1 2 476.046 4.193 20 0 JIADLO Cc1cccc(CCCn2c([C@H]3CCC(=O)N3)nnc2N(C)Cc2ccc(F)c(C(F)(F)F)c2)[nH+]1 ZINC001492526142 1066413917 /nfs/dbraw/zinc/41/39/17/1066413917.db2.gz OCXHFEXPFWUZCK-HXUWFJFHSA-N 1 2 490.505 4.360 20 0 JIADLO Cc1cccc(CCCn2c(-c3ccccc3F)nnc2N2CCN([C@@H](C)C(F)(F)F)CC2)[nH+]1 ZINC001492526469 1066414670 /nfs/dbraw/zinc/41/46/70/1066414670.db2.gz ZTKNLARMBDAXSO-SFHVURJKSA-N 1 2 476.522 4.493 20 0 JIADLO Cc1cccc(CCCn2c(N(C)Cc3cc(Cl)ccn3)nnc2[C@@]2(OC(C)C)CCOC2)[nH+]1 ZINC001492527865 1066427100 /nfs/dbraw/zinc/42/71/00/1066427100.db2.gz WKFZMTQDQSJCOI-RUZDIDTESA-N 1 2 485.032 4.340 20 0 JIADLO Fc1ccc(-c2nn(C[N@@H+]3CC[C@@H]4CCCC[C@@H]4C3)c(=S)n2CCN2CCOCC2)cc1 ZINC001337047585 1066456693 /nfs/dbraw/zinc/45/66/93/1066456693.db2.gz WLLNKBBVXXSDPU-PZJWPPBQSA-N 1 2 459.635 4.022 20 0 JIADLO Fc1ccc(-c2nn(C[N@H+]3CC[C@@H]4CCCC[C@@H]4C3)c(=S)n2CCN2CCOCC2)cc1 ZINC001337047585 1066456695 /nfs/dbraw/zinc/45/66/95/1066456695.db2.gz WLLNKBBVXXSDPU-PZJWPPBQSA-N 1 2 459.635 4.022 20 0 JIADLO C[C@H]1COC(C)(C)CN1c1nnc(CSc2ccc(Cl)cc2)n1CC(C)(C)[NH+]1CCOCC1 ZINC001316508148 1066486235 /nfs/dbraw/zinc/48/62/35/1066486235.db2.gz RNYKKJAJPUDWIE-SFHVURJKSA-N 1 2 494.105 4.338 20 0 JIADLO FC(F)(F)CCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC001316510987 1066496213 /nfs/dbraw/zinc/49/62/13/1066496213.db2.gz LPXQAHYXFAYKDU-UHFFFAOYSA-N 1 2 484.324 4.100 20 0 JIADLO C[C@H]1CCCCN1S(=O)(=O)c1cccc(C(=O)Nc2ccc3nc(C[NH+]4CCCCC4)[nH]c3c2)c1 ZINC001338430431 1066554386 /nfs/dbraw/zinc/55/43/86/1066554386.db2.gz PZTNQESFXCDTDK-IBGZPJMESA-N 1 2 495.649 4.364 20 0 JIADLO O=C(CCC(=O)N1CC(=O)Nc2ccccc21)O[C@@H](Cn1cc[nH+]c1)c1ccc(Cl)cc1Cl ZINC001343804106 1066620895 /nfs/dbraw/zinc/62/08/95/1066620895.db2.gz UPGIARPQIKDHBS-FQEVSTJZSA-N 1 2 487.343 4.240 20 0 JIADLO CCn1c(-c2cccc(S(=O)(=O)N3CCCC3)c2)nn(C[N@@H+]2CC[C@@H]3CCCC[C@H]3C2)c1=S ZINC001317705366 1066638104 /nfs/dbraw/zinc/63/81/04/1066638104.db2.gz YVCFZLANTRSJDV-FPOVZHCZSA-N 1 2 489.711 4.355 20 0 JIADLO CCn1c(-c2cccc(S(=O)(=O)N3CCCC3)c2)nn(C[N@H+]2CC[C@@H]3CCCC[C@H]3C2)c1=S ZINC001317705366 1066638114 /nfs/dbraw/zinc/63/81/14/1066638114.db2.gz YVCFZLANTRSJDV-FPOVZHCZSA-N 1 2 489.711 4.355 20 0 JIADLO O=C(CCn1cnc2ccccc2c1=O)O[C@@H](Cn1cc[nH+]c1)c1ccc(Cl)cc1Cl ZINC001345702127 1066645938 /nfs/dbraw/zinc/64/59/38/1066645938.db2.gz BJRVJHOOHDVXBD-FQEVSTJZSA-N 1 2 457.317 4.275 20 0 JIADLO Cn1cc[nH+]c1CCNC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2cc(Cl)ccc2Cl)c1 ZINC001347513741 1066683238 /nfs/dbraw/zinc/68/32/38/1066683238.db2.gz DCWCYZKRUIXJCM-UHFFFAOYSA-N 1 2 487.796 4.154 20 0 JIADLO COc1cccc(-c2nc(CSCCC(=O)N3CCN(c4cccc[nH+]4)CC3)cs2)c1OC ZINC001317821659 1066709363 /nfs/dbraw/zinc/70/93/63/1066709363.db2.gz SFWOCBKLLGZHOA-UHFFFAOYSA-N 1 2 484.647 4.194 20 0 JIADLO O=C(c1cnc2c(c1)c(C1CC1)nn2-c1ccccc1)N1CC[NH+](CCOc2ccccc2)CC1 ZINC001317828432 1066713662 /nfs/dbraw/zinc/71/36/62/1066713662.db2.gz ZEYIFOBISYRFFA-UHFFFAOYSA-N 1 2 467.573 4.135 20 0 JIADLO Cc1cc(CC(C)(C)C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)ccc1Br ZINC001348544946 1066755326 /nfs/dbraw/zinc/75/53/26/1066755326.db2.gz MJCDWTMZBMVZGU-OAQYLSRUSA-N 1 2 459.428 4.343 20 0 JIADLO Cc1cc(CC(C)(C)C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)ccc1Br ZINC001348544946 1066755341 /nfs/dbraw/zinc/75/53/41/1066755341.db2.gz MJCDWTMZBMVZGU-OAQYLSRUSA-N 1 2 459.428 4.343 20 0 JIADLO O=C(O[C@@H](Cn1cc[nH+]c1)c1ccc(Cl)cc1Cl)[C@@H]1CCCN(C(=O)N2CCCC2)C1 ZINC001348693996 1066771023 /nfs/dbraw/zinc/77/10/23/1066771023.db2.gz YOWIAWVTGVAQGN-UZLBHIALSA-N 1 2 465.381 4.402 20 0 JIADLO CSc1ccc([C@@H](CNC(=O)CNC(=O)c2ccc(C)s2)[N@@H+]2CCc3sccc3C2)cc1 ZINC001317909176 1066779152 /nfs/dbraw/zinc/77/91/52/1066779152.db2.gz RACJHZDJGXYQAS-HXUWFJFHSA-N 1 2 485.700 4.486 20 0 JIADLO CSc1ccc([C@@H](CNC(=O)CNC(=O)c2ccc(C)s2)[N@H+]2CCc3sccc3C2)cc1 ZINC001317909176 1066779169 /nfs/dbraw/zinc/77/91/69/1066779169.db2.gz RACJHZDJGXYQAS-HXUWFJFHSA-N 1 2 485.700 4.486 20 0 JIADLO CC(C)(C)OC(=O)Nc1ccc(Cl)c(C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)c1 ZINC001349101307 1066807517 /nfs/dbraw/zinc/80/75/17/1066807517.db2.gz DVVGCGRCIYVJBU-LJQANCHMSA-N 1 2 459.974 4.318 20 0 JIADLO CC(C)(C)OC(=O)Nc1ccc(Cl)c(C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)c1 ZINC001349101307 1066807518 /nfs/dbraw/zinc/80/75/18/1066807518.db2.gz DVVGCGRCIYVJBU-LJQANCHMSA-N 1 2 459.974 4.318 20 0 JIADLO CC(C)(C)OC(=O)Nc1ccc(Cl)c(C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)c1 ZINC001349101306 1066807569 /nfs/dbraw/zinc/80/75/69/1066807569.db2.gz DVVGCGRCIYVJBU-IBGZPJMESA-N 1 2 459.974 4.318 20 0 JIADLO CC(C)(C)OC(=O)Nc1ccc(Cl)c(C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)c1 ZINC001349101306 1066807574 /nfs/dbraw/zinc/80/75/74/1066807574.db2.gz DVVGCGRCIYVJBU-IBGZPJMESA-N 1 2 459.974 4.318 20 0 JIADLO COc1ccccc1C1(C(=O)NCc2cc[nH+]c(N3CCN(c4ccc(F)cc4)CC3)c2)CCC1 ZINC001318095428 1066896922 /nfs/dbraw/zinc/89/69/22/1066896922.db2.gz KLGNIWVVDTWRSS-UHFFFAOYSA-N 1 2 474.580 4.294 20 0 JIADLO CCCCS(=O)(=O)c1ccc(C(=O)NC[C@H](c2ccc(OC)cc2)[NH+]2CCCCC2)cc1 ZINC001350103534 1066917966 /nfs/dbraw/zinc/91/79/66/1066917966.db2.gz XMDNEIGFUCZRBY-XMMPIXPASA-N 1 2 458.624 4.226 20 0 JIADLO COc1ncc(/C=C/C(=O)NC[C@@H](c2ccc(Cl)cc2)[N@@H+]2CCc3sccc3C2)cn1 ZINC001350340418 1066945426 /nfs/dbraw/zinc/94/54/26/1066945426.db2.gz OEGQCZHXRTXJGH-NLDVTHOVSA-N 1 2 454.983 4.129 20 0 JIADLO COc1ncc(/C=C/C(=O)NC[C@@H](c2ccc(Cl)cc2)[N@H+]2CCc3sccc3C2)cn1 ZINC001350340418 1066945437 /nfs/dbraw/zinc/94/54/37/1066945437.db2.gz OEGQCZHXRTXJGH-NLDVTHOVSA-N 1 2 454.983 4.129 20 0 JIADLO CCC(C)(C)C1CCC2(CC1)NC(=O)N(C[NH+]1CCC([C@H]3c4ccccc4NC3=O)CC1)C2=O ZINC001318217518 1066966186 /nfs/dbraw/zinc/96/61/86/1066966186.db2.gz VWUPPAFGUXXPHD-UPNKGIKISA-N 1 2 466.626 4.309 20 0 JIADLO COc1nn(C)c2nc(C)c(CCC(=O)Nc3ccc4nc(C[NH+]5CCCCC5)[nH]c4c3)c(C)c12 ZINC001318261455 1066988655 /nfs/dbraw/zinc/98/86/55/1066988655.db2.gz DELBBMCBNIYRSP-UHFFFAOYSA-N 1 2 475.597 4.027 20 0 JIADLO O=C(Nc1ccc2nc(C[NH+]3CCCCC3)[nH]c2c1)c1ccc(CS(=O)(=O)c2ccccc2)o1 ZINC001318261794 1066989398 /nfs/dbraw/zinc/98/93/98/1066989398.db2.gz GDUCNOQPRNKQGV-UHFFFAOYSA-N 1 2 478.574 4.368 20 0 JIADLO O=C(Nc1ccc2nc(C[NH+]3CCCCC3)[nH]c2c1)c1cccc(S(=O)(=O)N2CCCCCC2)c1 ZINC001318263749 1066991295 /nfs/dbraw/zinc/99/12/95/1066991295.db2.gz ZCMQJYANRSTZNQ-UHFFFAOYSA-N 1 2 495.649 4.366 20 0 JIADLO Cc1cc(F)c2c(c1)CCCN2C(=O)C[N@H+](CCNC(=O)OC(C)(C)C)Cc1ccccc1 ZINC001350736230 1066995253 /nfs/dbraw/zinc/99/52/53/1066995253.db2.gz YCVPOYXPCUGUCQ-UHFFFAOYSA-N 1 2 455.574 4.440 20 0 JIADLO Cc1cc(F)c2c(c1)CCCN2C(=O)C[N@@H+](CCNC(=O)OC(C)(C)C)Cc1ccccc1 ZINC001350736230 1066995262 /nfs/dbraw/zinc/99/52/62/1066995262.db2.gz YCVPOYXPCUGUCQ-UHFFFAOYSA-N 1 2 455.574 4.440 20 0 JIADLO O=C(CNC(=O)c1ccc(Cl)c(Cl)c1)Nc1ccc2nc(C[NH+]3CCCCC3)[nH]c2c1 ZINC001318285607 1067002222 /nfs/dbraw/zinc/00/22/22/1067002222.db2.gz RQTHPAVJGNMLRK-UHFFFAOYSA-N 1 2 460.365 4.224 20 0 JIADLO O=C(NCc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1)c1cccc(N2CCNC2=O)c1 ZINC001318285762 1067002472 /nfs/dbraw/zinc/00/24/72/1067002472.db2.gz DVKMEHGOTAMDTL-UHFFFAOYSA-N 1 2 451.530 4.058 20 0 JIADLO COc1cc[nH+]cc1Cn1c(-c2ccc(C)o2)nnc1N(C)CCOc1ccc(Cl)cc1 ZINC001300693312 1067044058 /nfs/dbraw/zinc/04/40/58/1067044058.db2.gz DRFWCPSCLBRKQA-UHFFFAOYSA-N 1 2 453.930 4.467 20 0 JIADLO COc1cc[nH+]cc1Cn1c(-c2ccc(Br)cc2)nnc1N1CC(C)(C)OC[C@@H]1C ZINC001300693923 1067047027 /nfs/dbraw/zinc/04/70/27/1067047027.db2.gz LCPYWYAEXXLPIE-HNNXBMFYSA-N 1 2 472.387 4.163 20 0 JIADLO COc1cc[nH+]cc1Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCO[C@H](C(C)(C)C)C1 ZINC001300695023 1067050691 /nfs/dbraw/zinc/05/06/91/1067050691.db2.gz IMEJIHFEZGDSFY-QHCPKHFHSA-N 1 2 465.598 4.177 20 0 JIADLO COc1cc[nH+]cc1Cn1c(Cc2csc(C)n2)nnc1N(C)CCOc1cccc(Cl)c1 ZINC001300695545 1067051772 /nfs/dbraw/zinc/05/17/72/1067051772.db2.gz YANAFJATSPEJQV-UHFFFAOYSA-N 1 2 485.013 4.254 20 0 JIADLO COc1cc[nH+]cc1Cn1c(Cc2ccccn2)nnc1N(C)Cc1ccc(Cl)c(F)c1 ZINC001300695416 1067052018 /nfs/dbraw/zinc/05/20/18/1067052018.db2.gz WQBIURLGOMIBTL-UHFFFAOYSA-N 1 2 452.921 4.145 20 0 JIADLO COc1cc[nH+]cc1Cn1c(CCCOc2ccc(Cl)cc2C)nnc1N1CCCO[C@H](C)C1 ZINC001300695571 1067052378 /nfs/dbraw/zinc/05/23/78/1067052378.db2.gz YNEUAMJPYNGAEZ-LJQANCHMSA-N 1 2 486.016 4.319 20 0 JIADLO Cc1cc(N2CCN(C(=O)c3cnc4c(c3)c(C3CC3)nn4-c3ccccc3)CC2)nc(C(C)C)[nH+]1 ZINC001318595131 1067054220 /nfs/dbraw/zinc/05/42/20/1067054220.db2.gz OEGUJPYEMHTRRK-UHFFFAOYSA-N 1 2 481.604 4.482 20 0 JIADLO COc1cc[nH+]cc1Cn1c(CC(C)C)nnc1N1CCO[C@H](c2ccc(F)c(Cl)c2)C1 ZINC001300696726 1067054665 /nfs/dbraw/zinc/05/46/65/1067054665.db2.gz HNZSNLSBCGBUFY-NRFANRHFSA-N 1 2 459.953 4.299 20 0 JIADLO COc1cc[nH+]cc1Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCCC(C)(C)C1 ZINC001300697858 1067056456 /nfs/dbraw/zinc/05/64/56/1067056456.db2.gz VDNITFUPSTVWJQ-LJQANCHMSA-N 1 2 484.645 4.471 20 0 JIADLO O=C(C[NH+]1CCC(NC(=O)C(Cc2ccccc2)Cc2ccccc2)CC1)Nc1ccccc1 ZINC001354753512 1067077116 /nfs/dbraw/zinc/07/71/16/1067077116.db2.gz GEPUVIGTGLFCGL-UHFFFAOYSA-N 1 2 455.602 4.307 20 0 JIADLO Cc1cccc(C)c1NC(=O)Cn1c(C(C)C)nnc1N(C)C[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC001492487006 1067084111 /nfs/dbraw/zinc/08/41/11/1067084111.db2.gz OTKFEUPRJIZYTN-NRFANRHFSA-N 1 2 496.681 4.228 20 0 JIADLO O=C(Nc1ccc2nc(C[NH+]3CCCCC3)[nH]c2c1)c1cccc(S(=O)(=O)NC2CCCC2)c1 ZINC001321488068 1067144954 /nfs/dbraw/zinc/14/49/54/1067144954.db2.gz LHIGVUVVMWGAQT-UHFFFAOYSA-N 1 2 481.622 4.022 20 0 JIADLO CC(C)c1oc(-c2ccccc2)nc1C(=O)OCC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC001321626060 1067180228 /nfs/dbraw/zinc/18/02/28/1067180228.db2.gz LVDQCFKPDHAQBS-UHFFFAOYSA-N 1 2 453.564 4.028 20 0 JIADLO C[C@H](SCC(=O)Nc1ccc(F)cc1)C(=O)Nc1ccc2nc(C[NH+]3CCCCC3)[nH]c2c1 ZINC001322404904 1067287119 /nfs/dbraw/zinc/28/71/19/1067287119.db2.gz SEGXYKCSDYASBA-INIZCTEOSA-N 1 2 469.586 4.387 20 0 JIADLO COc1ccc(-c2nnc(N(C)C[C@H](c3cccs3)[NH+]3CCOCC3)n2CC(F)(F)F)cc1 ZINC001300001150 1067338518 /nfs/dbraw/zinc/33/85/18/1067338518.db2.gz RJDLTGCMRFJBDH-GOSISDBHSA-N 1 2 481.544 4.087 20 0 JIADLO Cc1ccccc1[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](c1ccsc1)[NH+](C)C ZINC001492553371 1067346199 /nfs/dbraw/zinc/34/61/99/1067346199.db2.gz JOOYJLPWSZWRJQ-VCOUNFBDSA-N 1 2 487.695 4.050 20 0 JIADLO CC(C)(C)OC(=O)N1CC[C@@H]2CCCC[C@@H]2[C@H]1C(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC001355479805 1067482928 /nfs/dbraw/zinc/48/29/28/1067482928.db2.gz JSBGZXIAONKAPR-VABKMULXSA-N 1 2 452.599 4.363 20 0 JIADLO COc1ccc(-c2nnc(N3CCC[C@](C)(OC)CC3)n2CCCNc2cccc[nH+]2)cc1 ZINC001300052030 1067520250 /nfs/dbraw/zinc/52/02/50/1067520250.db2.gz SRVRQQFRRRKOQQ-VWLOTQADSA-N 1 2 450.587 4.246 20 0 JIADLO O=C(NCC[NH+]1CCN(c2cccc(Cl)c2)CC1)c1csc(Cc2ccc(F)cc2)n1 ZINC001355621551 1067531806 /nfs/dbraw/zinc/53/18/06/1067531806.db2.gz MMSOMGSIBGLYJJ-UHFFFAOYSA-N 1 2 458.990 4.078 20 0 JIADLO Cc1cc(Br)c(C(=O)NCc2cc[nH+]c(N3CCCC3)c2)cc1Br ZINC001352566636 1067536066 /nfs/dbraw/zinc/53/60/66/1067536066.db2.gz KBTNLZYABHMXHG-UHFFFAOYSA-N 1 2 453.178 4.445 20 0 JIADLO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)c2ccc(NC(=O)Cc3cccnc3)cc2)C[C@@H](C)O1 ZINC001355719946 1067562509 /nfs/dbraw/zinc/56/25/09/1067562509.db2.gz CAFLREFSBIYXQH-WOJBJXKFSA-N 1 2 458.562 4.124 20 0 JIADLO Cc1c(Cl)cccc1Nc1nnc(SCCC(=O)N2CCN(c3cccc[nH+]3)CC2)s1 ZINC000501635907 1067741232 /nfs/dbraw/zinc/74/12/32/1067741232.db2.gz GPMRZPKPXYGSON-UHFFFAOYSA-N 1 2 475.043 4.470 20 0 JIADLO O=C(N[C@H]1CCN(c2cccc[nH+]2)C1)[C@@H](Oc1ccccc1Br)c1ccccc1 ZINC001356555184 1067777448 /nfs/dbraw/zinc/77/74/48/1067777448.db2.gz OWBIJEZOVYWVJP-AVRDEDQJSA-N 1 2 452.352 4.359 20 0 JIADLO COc1ccc(CCn2c(N(C)C[C@H](c3cccs3)[NH+]3CCOCC3)nnc2C(C)(C)C)cc1 ZINC001300155652 1067811731 /nfs/dbraw/zinc/81/17/31/1067811731.db2.gz DWDDIMNFSCYLHR-JOCHJYFZSA-N 1 2 483.682 4.398 20 0 JIADLO COCC(C)(C)C(=O)N1CC[NH+](Cc2ccc(-c3cccc(Br)c3)s2)CC1 ZINC001352977715 1067824920 /nfs/dbraw/zinc/82/49/20/1067824920.db2.gz OXFKPBMIAKJCOP-UHFFFAOYSA-N 1 2 451.430 4.494 20 0 JIADLO COC(=O)CCSCc1cccc(NC(=O)N[C@@H](Cc2[nH+]ccn2C)c2ccccc2)c1 ZINC001200214927 1067851139 /nfs/dbraw/zinc/85/11/39/1067851139.db2.gz MEUXTQJLDWTMTQ-NRFANRHFSA-N 1 2 452.580 4.322 20 0 JIADLO C[C@H]1C[NH+](Cc2ccccc2NC(=O)Cc2noc3ccc(Br)cc32)C[C@H](C)O1 ZINC001357518856 1067863134 /nfs/dbraw/zinc/86/31/34/1067863134.db2.gz JGZQBUBKAAHMHE-GJZGRUSLSA-N 1 2 458.356 4.381 20 0 JIADLO C[C@@H](c1cccc(NC(=O)c2nn(-c3ccccc3)cc2Br)c1)[NH+]1CCOCC1 ZINC001353105257 1067867100 /nfs/dbraw/zinc/86/71/00/1067867100.db2.gz CSWBSWXSPLBBKQ-INIZCTEOSA-N 1 2 455.356 4.280 20 0 JIADLO C[C@H](c1cccc(NC(=O)c2nn(-c3ccccc3)cc2Br)c1)[NH+]1CCOCC1 ZINC001353105259 1067867145 /nfs/dbraw/zinc/86/71/45/1067867145.db2.gz CSWBSWXSPLBBKQ-MRXNPFEDSA-N 1 2 455.356 4.280 20 0 JIADLO Cc1ccccc1-c1nnc(N(C)C[C@H](c2cccs2)[NH+]2CCOCC2)n1CCOC(C)C ZINC001492557601 1067871857 /nfs/dbraw/zinc/87/18/57/1067871857.db2.gz PWXCAGAWJAMHEY-JOCHJYFZSA-N 1 2 469.655 4.250 20 0 JIADLO CCCOc1ccc(C(C)(C)C)cc1S(=O)(=O)N1Cc2c[nH+]cn2C[C@@H](COCC2CC2)C1 ZINC001200267578 1067906059 /nfs/dbraw/zinc/90/60/59/1067906059.db2.gz OHIASVGBHBNQRU-HXUWFJFHSA-N 1 2 475.655 4.217 20 0 JIADLO COc1ccc(C[NH+]2CCN(c3nnc(-c4cccc(C)n4)n3CCCC(F)(F)F)CC2)cc1F ZINC001300232514 1067919786 /nfs/dbraw/zinc/91/97/86/1067919786.db2.gz XQJCLGBKSXQAME-UHFFFAOYSA-N 1 2 492.521 4.461 20 0 JIADLO O=C(NCCc1cnn(-c2ccccc2)c1)[C@@H](c1cccc(Br)c1)[NH+]1CCCC1 ZINC001353258210 1067960009 /nfs/dbraw/zinc/96/00/09/1067960009.db2.gz YEPLYEPBAQAJDQ-JOCHJYFZSA-N 1 2 453.384 4.131 20 0 JIADLO CC(=O)NCc1ccc(-c2csc(NC(=O)Cn3c(C)[nH+]c4cc(F)c(F)cc43)n2)cc1 ZINC001353267980 1067967106 /nfs/dbraw/zinc/96/71/06/1067967106.db2.gz OXXKXILQLOSRHG-UHFFFAOYSA-N 1 2 455.490 4.021 20 0 JIADLO COc1ccc(F)cc1C[NH+]1CCN(c2nnc(-c3ccccn3)n2CCSC(F)(F)F)CC1 ZINC001300245507 1067968723 /nfs/dbraw/zinc/96/87/23/1067968723.db2.gz QZELQPCODKPTOW-UHFFFAOYSA-N 1 2 496.534 4.063 20 0 JIADLO COc1ccc(F)cc1C[NH+]1CCN(c2nnc(CC(C)(C)C)n2CC[C@H]2C[C@H](F)C2)CC1 ZINC001300247751 1067980622 /nfs/dbraw/zinc/98/06/22/1067980622.db2.gz OMBGUSAVCMDWPY-XGAFWQRZSA-N 1 2 461.601 4.475 20 0 JIADLO Cc1ccccc1-c1nnc(N2CCC(C(=O)N(C)C(C)C)CC2)n1CCCNc1cccc[nH+]1 ZINC001492561709 1068005613 /nfs/dbraw/zinc/00/56/13/1068005613.db2.gz MQPIQQWOERJMOD-UHFFFAOYSA-N 1 2 475.641 4.234 20 0 JIADLO CC[C@@H](C)[C@H](NC(=O)c1cccc(Cn2cc[nH+]c2)c1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC001358441022 1068092174 /nfs/dbraw/zinc/09/21/74/1068092174.db2.gz JBWXTTRUGXQPQP-NLFFAJNJSA-N 1 2 459.594 4.315 20 0 JIADLO Cc1nc(C[N@@H+]2CCO[C@@H]3CN(C(=S)Nc4ccc(C)cc4Cl)CC[C@@H]3C2)cs1 ZINC001200335539 1068113713 /nfs/dbraw/zinc/11/37/13/1068113713.db2.gz XMPGWXAICMSNAH-OXQOHEQNSA-N 1 2 451.061 4.333 20 0 JIADLO Cc1nc(C[N@H+]2CCO[C@@H]3CN(C(=S)Nc4ccc(C)cc4Cl)CC[C@@H]3C2)cs1 ZINC001200335539 1068113786 /nfs/dbraw/zinc/11/37/86/1068113786.db2.gz XMPGWXAICMSNAH-OXQOHEQNSA-N 1 2 451.061 4.333 20 0 JIADLO O=C(NCc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1)C(=O)Nc1ccn(-c2ccccc2)n1 ZINC000510300615 1068169398 /nfs/dbraw/zinc/16/93/98/1068169398.db2.gz UVYQNGSNQWTVEN-UHFFFAOYSA-N 1 2 476.540 4.039 20 0 JIADLO Cc1sc2nc(C[NH+]3CCCC3)nc(Sc3nnc(NC[C@@H]4CCCO4)s3)c2c1C ZINC000608361463 1068196263 /nfs/dbraw/zinc/19/62/63/1068196263.db2.gz RYHYPYNXRLQEBI-AWEZNQCLSA-N 1 2 462.670 4.498 20 0 JIADLO O=C(CCn1cc[nH+]c1)Nc1cccc(C(=O)Nc2cc(-c3cc(F)cc(Br)c3)[nH]n2)c1 ZINC000512353970 1068226294 /nfs/dbraw/zinc/22/62/94/1068226294.db2.gz VGXCVSLJUQGKLM-UHFFFAOYSA-N 1 2 497.328 4.456 20 0 JIADLO CC(C)(C)c1cc(CCC(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)cc(C(C)(C)C)c1O ZINC000518229369 1068304519 /nfs/dbraw/zinc/30/45/19/1068304519.db2.gz MGDAHDPEYRUZKM-UHFFFAOYSA-N 1 2 456.631 4.087 20 0 JIADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)c1c2ccccc2nc2c1CCC/C2=C\c1ccco1 ZINC000519507769 1068317689 /nfs/dbraw/zinc/31/76/89/1068317689.db2.gz HDYWPRNBSMRJEE-FMQUCBEESA-N 1 2 483.572 4.486 20 0 JIADLO COc1cccc(-c2nnc(N(C)Cc3cc(Cl)ccn3)n2Cc2c[nH+]ccc2OC)c1 ZINC001300342931 1068333713 /nfs/dbraw/zinc/33/37/13/1068333713.db2.gz HBILKTSTHUKDMP-UHFFFAOYSA-N 1 2 450.930 4.090 20 0 JIADLO C[C@@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)Nc1nnc(Cc2ccccc2F)s1 ZINC000524565644 1068354033 /nfs/dbraw/zinc/35/40/33/1068354033.db2.gz BULWVGSWYMHEOK-SFHVURJKSA-N 1 2 469.586 4.023 20 0 JIADLO COc1cccc(-c2nnc(N3CCN(c4cccc[nH+]4)CC3)n2C[C@@H](SC)C(C)(C)C)c1 ZINC001300389298 1068500103 /nfs/dbraw/zinc/50/01/03/1068500103.db2.gz QCVMWJXZUCYFDN-OAQYLSRUSA-N 1 2 466.655 4.453 20 0 JIADLO COc1ccccc1[C@@H](Cn1c(C(C)C)nnc1N1CC[NH+](Cc2cc(C)no2)CC1)OC(C)C ZINC001300456677 1068776078 /nfs/dbraw/zinc/77/60/78/1068776078.db2.gz UQSHTTFWQMYZAS-XMMPIXPASA-N 1 2 482.629 4.195 20 0 JIADLO COc1ccccc1CN(C(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1)c1cc(Cl)cc(Cl)c1 ZINC001354095953 1068895416 /nfs/dbraw/zinc/89/54/16/1068895416.db2.gz GXBRUELTZFJMGH-GGAORHGYSA-N 1 2 479.404 4.415 20 0 JIADLO COc1ccccc1[C@@H]1CCCN1c1nnc(C(=O)NC(C)C)n1CCCc1cccc(C)[nH+]1 ZINC001300520583 1068910862 /nfs/dbraw/zinc/91/08/62/1068910862.db2.gz JNIYDRJQXOLHSL-QFIPXVFZSA-N 1 2 462.598 4.103 20 0 JIADLO Cc1onc(-c2c(F)cccc2Cl)c1C(=O)N[C@H](C)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001354156982 1068937210 /nfs/dbraw/zinc/93/72/10/1068937210.db2.gz PNFHPLOSPJISOA-FOIQADDNSA-N 1 2 457.933 4.462 20 0 JIADLO Cc1onc(-c2c(F)cccc2Cl)c1C(=O)N[C@H](C)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001354156982 1068937228 /nfs/dbraw/zinc/93/72/28/1068937228.db2.gz PNFHPLOSPJISOA-FOIQADDNSA-N 1 2 457.933 4.462 20 0 JIADLO CC[C@@H](c1nnc(NC(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)s1)c1ccccc1 ZINC000504036656 1068973977 /nfs/dbraw/zinc/97/39/77/1068973977.db2.gz NSUVCHVUIUECKD-NHCUHLMSSA-N 1 2 451.596 4.103 20 0 JIADLO CC[C@@H](c1nnc(NC(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)s1)c1ccccc1 ZINC000504036656 1068973988 /nfs/dbraw/zinc/97/39/88/1068973988.db2.gz NSUVCHVUIUECKD-NHCUHLMSSA-N 1 2 451.596 4.103 20 0 JIADLO CC(C)(C)OC(=O)N1CC[C@H](c2ccccc2)[C@H](NC(=O)Cc2c[nH+]cn2Cc2ccccc2)C1 ZINC001300563524 1069041135 /nfs/dbraw/zinc/04/11/35/1069041135.db2.gz MWWMFFBDNZNJQO-JWQCQUIFSA-N 1 2 474.605 4.383 20 0 JIADLO COc1ccc(C(F)(F)N2CCO[C@H](c3[nH+]cn4c3cccc4Br)C2)c(Cl)n1 ZINC001164421332 718889946 /nfs/dbraw/zinc/88/99/46/718889946.db2.gz XGYIUKMRVCEZBN-ZDUSSCGKSA-N 1 2 473.705 4.277 20 0 JIADLO CCOC(=O)c1sc2nc(C[NH+]3CCCCC3)nc(N3CC[C@H]4CCCO[C@H]4C3)c2c1C ZINC001164421511 718901974 /nfs/dbraw/zinc/90/19/74/718901974.db2.gz STSYYBJZSDTRJM-MSOLQXFVSA-N 1 2 458.628 4.168 20 0 JIADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nc(C)c(F)cc1C(=O)OC)CC2 ZINC001164663016 719350639 /nfs/dbraw/zinc/35/06/39/719350639.db2.gz CBPFLRHCQRSJIT-UHFFFAOYSA-N 1 2 463.557 4.010 20 0 JIADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nc(C)c(F)cc1C(=O)OC)CC2 ZINC001164663016 719350642 /nfs/dbraw/zinc/35/06/42/719350642.db2.gz CBPFLRHCQRSJIT-UHFFFAOYSA-N 1 2 463.557 4.010 20 0 JIADLO Fc1ccc(C[N@@H+]2CCOCC23CCN(c2nc(Cl)nc4c(Cl)nc(Cl)nc42)CC3)cc1 ZINC001164671325 719499784 /nfs/dbraw/zinc/49/97/84/719499784.db2.gz DRRCULJNSYVORB-UHFFFAOYSA-N 1 2 497.789 4.391 20 0 JIADLO Fc1ccc(C[N@H+]2CCOCC23CCN(c2nc(Cl)nc4c(Cl)nc(Cl)nc42)CC3)cc1 ZINC001164671325 719499793 /nfs/dbraw/zinc/49/97/93/719499793.db2.gz DRRCULJNSYVORB-UHFFFAOYSA-N 1 2 497.789 4.391 20 0 JIADLO FC(F)(c1ccc2nc(Cl)c(Cl)nc2c1)N1CCc2onc(Cn3cc[nH+]c3)c2C1 ZINC001164677990 719564414 /nfs/dbraw/zinc/56/44/14/719564414.db2.gz URHFBCJSCKWETG-UHFFFAOYSA-N 1 2 451.264 4.277 20 0 JIADLO COc1ccc(C(F)(F)N2CCC3(CCn4c(-c5ccc(C(N)=O)cc5)c[nH+]c43)CC2)nc1Cl ZINC001164695446 719829845 /nfs/dbraw/zinc/82/98/45/719829845.db2.gz CTYOBOVNCWJLKN-UHFFFAOYSA-N 1 2 487.938 4.193 20 0 JIADLO NC(=O)c1ccc(-c2c[nH+]c3n2CCC32CCN(C(F)(F)c3c4c(nnc3Cl)CCC4)CC2)cc1 ZINC001164695876 719830426 /nfs/dbraw/zinc/83/04/26/719830426.db2.gz GHDRLVHOLZJTKS-UHFFFAOYSA-N 1 2 498.965 4.068 20 0 JIADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1cnc(-c2ccccc2)c(-c2ccccc2)n1 ZINC001164705632 719852923 /nfs/dbraw/zinc/85/29/23/719852923.db2.gz VAVIEEQIBPPJRA-QDPGVEIFSA-N 1 2 472.589 4.043 20 0 JIADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ccc2cc(OCc3ccccc3)ccc2n1 ZINC001164705109 719859339 /nfs/dbraw/zinc/85/93/39/719859339.db2.gz SWLTWRLEXFASHL-FIPFOOKPSA-N 1 2 475.589 4.047 20 0 JIADLO CC(=O)NC[C@@H]1c2[nH+]cn(C(C)C)c2CCN1C(F)(F)c1ccc(-c2cc(Cl)ncn2)cc1 ZINC001164726068 720312371 /nfs/dbraw/zinc/31/23/71/720312371.db2.gz XTAFUJZYRYFYMK-HXUWFJFHSA-N 1 2 474.943 4.359 20 0 JIADLO CC(=O)NC[C@@H]1c2[nH+]cn(C(C)C)c2CCN1C(F)(F)c1ccc(-c2ccc(Cl)nn2)cc1 ZINC001164726480 720316371 /nfs/dbraw/zinc/31/63/71/720316371.db2.gz ZRCAAASKEIHQHM-HXUWFJFHSA-N 1 2 474.943 4.359 20 0 JIADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4nc5c(Cl)cccc5nc4Cl)CC3)C2=O)cs1 ZINC001164824339 720384700 /nfs/dbraw/zinc/38/47/00/720384700.db2.gz QYCUYFYSMUQUIU-UHFFFAOYSA-N 1 2 491.448 4.015 20 0 JIADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4nc5c(Cl)cccc5nc4Cl)CC3)C2=O)cs1 ZINC001164824339 720384710 /nfs/dbraw/zinc/38/47/10/720384710.db2.gz QYCUYFYSMUQUIU-UHFFFAOYSA-N 1 2 491.448 4.015 20 0 JIADLO FC(F)(c1ccc(OCc2ccc(Cl)nc2)cc1)N1CCCn2nnc(Cn3cc[nH+]c3)c2C1 ZINC001164830572 720399138 /nfs/dbraw/zinc/39/91/38/720399138.db2.gz SEIWWAMGOYYHNG-UHFFFAOYSA-N 1 2 485.926 4.106 20 0 JIADLO FC(F)(c1ccc2nc(Cl)cnc2c1)N1Cc2c[nH+]cn2C[C@@H](COc2cccnc2)C1 ZINC001164767203 721272953 /nfs/dbraw/zinc/27/29/53/721272953.db2.gz HSYDFRHUYKCVCR-OAHLLOKOSA-N 1 2 456.884 4.135 20 0 JIADLO FC(F)(c1cc(Cl)nc(-c2cccnc2)n1)N1Cc2c[nH+]cn2C[C@@H](COc2cccnc2)C1 ZINC001164769135 721275762 /nfs/dbraw/zinc/27/57/62/721275762.db2.gz PGSWZSBDEILHOS-MRXNPFEDSA-N 1 2 483.910 4.044 20 0 JIADLO COc1ccc(-c2cc(C(F)(F)N3C[C@@H]4C[N@@H+](Cc5nccs5)C[C@@H]4C3)c(Cl)nn2)cc1 ZINC001164781404 721439073 /nfs/dbraw/zinc/43/90/73/721439073.db2.gz FTDMXIZTGHHTPR-IYBDPMFKSA-N 1 2 477.968 4.375 20 0 JIADLO COc1ccc(-c2cc(C(F)(F)N3C[C@@H]4C[N@H+](Cc5nccs5)C[C@@H]4C3)c(Cl)nn2)cc1 ZINC001164781404 721439078 /nfs/dbraw/zinc/43/90/78/721439078.db2.gz FTDMXIZTGHHTPR-IYBDPMFKSA-N 1 2 477.968 4.375 20 0 JIADLO COc1ccccc1-c1cc(C(F)(F)N2C[C@@H]3C[NH+](Cc4nccs4)C[C@H]3C2)c(Cl)nn1 ZINC001164780839 721439210 /nfs/dbraw/zinc/43/92/10/721439210.db2.gz CIBJLJNVLQTCPI-GJZGRUSLSA-N 1 2 477.968 4.375 20 0 JIADLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(c1nc3cc(Cl)c(Cl)cc3nc1Cl)C2 ZINC001165011476 721699960 /nfs/dbraw/zinc/69/99/60/721699960.db2.gz UBPBEWFTRIXQOE-UHFFFAOYSA-N 1 2 454.793 4.432 20 0 JIADLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(c1nc3cc(Cl)c(Cl)cc3nc1Cl)C2 ZINC001165011476 721699962 /nfs/dbraw/zinc/69/99/62/721699962.db2.gz UBPBEWFTRIXQOE-UHFFFAOYSA-N 1 2 454.793 4.432 20 0 JIADLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(C(F)(F)c1cnc(Cl)c(-c3ccncc3)c1)C2 ZINC001165011996 721717469 /nfs/dbraw/zinc/71/74/69/721717469.db2.gz XTYRWYDOFXXQBQ-UHFFFAOYSA-N 1 2 461.948 4.184 20 0 JIADLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(C(F)(F)c1cnc(Cl)c(-c3ccncc3)c1)C2 ZINC001165011996 721717479 /nfs/dbraw/zinc/71/74/79/721717479.db2.gz XTYRWYDOFXXQBQ-UHFFFAOYSA-N 1 2 461.948 4.184 20 0 JIADLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(C(F)(F)c1cc(Cl)nc3c1CCCCC3)C2 ZINC001165011488 721722289 /nfs/dbraw/zinc/72/22/89/721722289.db2.gz QRULVLKBPJFQAX-UHFFFAOYSA-N 1 2 452.981 4.391 20 0 JIADLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(C(F)(F)c1cc(Cl)nc3c1CCCCC3)C2 ZINC001165011488 721722297 /nfs/dbraw/zinc/72/22/97/721722297.db2.gz QRULVLKBPJFQAX-UHFFFAOYSA-N 1 2 452.981 4.391 20 0 JIADLO Cc1cnc2n1CC[N@@H+](C)C21CCN(C(F)(F)c2cc(-c3ccccc3F)nnc2Cl)CC1 ZINC001164919038 721822210 /nfs/dbraw/zinc/82/22/10/721822210.db2.gz KYWOZUMDJZRQQG-UHFFFAOYSA-N 1 2 476.934 4.427 20 0 JIADLO Cc1cnc2n1CC[N@H+](C)C21CCN(C(F)(F)c2cc(-c3ccccc3F)nnc2Cl)CC1 ZINC001164919038 721822213 /nfs/dbraw/zinc/82/22/13/721822213.db2.gz KYWOZUMDJZRQQG-UHFFFAOYSA-N 1 2 476.934 4.427 20 0 JIADLO COc1ccccc1-c1cc(C(F)(F)N2CCC3(CC2)c2ncc(C)n2CC[N@H+]3C)c(Cl)nn1 ZINC001164919931 721822252 /nfs/dbraw/zinc/82/22/52/721822252.db2.gz YVGKIQZAZHFJOB-UHFFFAOYSA-N 1 2 488.970 4.297 20 0 JIADLO COc1ccccc1-c1cc(C(F)(F)N2CCC3(CC2)c2ncc(C)n2CC[N@@H+]3C)c(Cl)nn1 ZINC001164919931 721822256 /nfs/dbraw/zinc/82/22/56/721822256.db2.gz YVGKIQZAZHFJOB-UHFFFAOYSA-N 1 2 488.970 4.297 20 0 JIADLO O=C1NCC[N@H+](Cc2ccccc2)C12CCN(c1nc3ccccc3c(-c3ccccc3)n1)CC2 ZINC001164946748 721973200 /nfs/dbraw/zinc/97/32/00/721973200.db2.gz VSJAOMWSNFMKAO-UHFFFAOYSA-N 1 2 463.585 4.268 20 0 JIADLO O=C1NCC[N@@H+](Cc2ccccc2)C12CCN(c1nc3ccccc3c(-c3ccccc3)n1)CC2 ZINC001164946748 721973203 /nfs/dbraw/zinc/97/32/03/721973203.db2.gz VSJAOMWSNFMKAO-UHFFFAOYSA-N 1 2 463.585 4.268 20 0 JIADLO O=C1NCC[N@@H+](Cc2ccccc2)C12CCN(c1cnc(Cl)nc1Oc1ccc(F)cc1)CC2 ZINC001164946452 721978903 /nfs/dbraw/zinc/97/89/03/721978903.db2.gz GCADXAUGHYUNCO-UHFFFAOYSA-N 1 2 481.959 4.032 20 0 JIADLO O=C1NCC[N@H+](Cc2ccccc2)C12CCN(c1cnc(Cl)nc1Oc1ccc(F)cc1)CC2 ZINC001164946452 721978907 /nfs/dbraw/zinc/97/89/07/721978907.db2.gz GCADXAUGHYUNCO-UHFFFAOYSA-N 1 2 481.959 4.032 20 0 JIADLO Cc1nc(-c2ccccc2)nc(Cl)c1N1CCC2(CC1)C(=O)NCC[N@H+]2Cc1ccccc1 ZINC001164949919 721979546 /nfs/dbraw/zinc/97/95/46/721979546.db2.gz RNMMSBMCYWLGTG-UHFFFAOYSA-N 1 2 461.997 4.076 20 0 JIADLO Cc1nc(-c2ccccc2)nc(Cl)c1N1CCC2(CC1)C(=O)NCC[N@@H+]2Cc1ccccc1 ZINC001164949919 721979548 /nfs/dbraw/zinc/97/95/48/721979548.db2.gz RNMMSBMCYWLGTG-UHFFFAOYSA-N 1 2 461.997 4.076 20 0 JIADLO Cc1ccc(N2C[C@@]3(CCN(c4ncnc5c4C[N@H+](Cc4ccccc4)CC5)C3)CC2=O)s1 ZINC001164961090 722043687 /nfs/dbraw/zinc/04/36/87/722043687.db2.gz LQAMZOBJYBJNIY-SANMLTNESA-N 1 2 459.619 4.038 20 0 JIADLO Cc1ccc(N2C[C@@]3(CCN(c4ncnc5c4C[N@@H+](Cc4ccccc4)CC5)C3)CC2=O)s1 ZINC001164961090 722043690 /nfs/dbraw/zinc/04/36/90/722043690.db2.gz LQAMZOBJYBJNIY-SANMLTNESA-N 1 2 459.619 4.038 20 0 JIADLO COC(=O)c1ccc(-c2ccc(N3CC[C@@H]4[C@H](CC3)OCCN4Cc3csc(C)n3)[nH+]c2C)cc1 ZINC001164987671 722184778 /nfs/dbraw/zinc/18/47/78/722184778.db2.gz LFYSVZAYXGISIK-RPBOFIJWSA-N 1 2 492.645 4.478 20 0 JIADLO COc1ccccc1SCc1nnc(N2CCC[C@H]2CSC)n1CC(C)(C)[NH+]1CCOCC1 ZINC001300679007 1069438303 /nfs/dbraw/zinc/43/83/03/1069438303.db2.gz HVLLFCKEBKWMMP-IBGZPJMESA-N 1 2 491.727 4.022 20 0 JIADLO C[C@H](C(=O)NC1CC1)[NH+]1CCN(c2nnc(-c3ccc(Cl)cc3)n2CCCC(C)(C)C)CC1 ZINC001359478166 1069640537 /nfs/dbraw/zinc/64/05/37/1069640537.db2.gz NUNRMYWRCVDLFL-GOSISDBHSA-N 1 2 473.065 4.214 20 0 JIADLO CC(C)(C)[C@]1(C)CN(c2nnc(Cc3ccsc3)n2CCCNc2cccc[nH+]2)CCO1 ZINC001359495879 1069728278 /nfs/dbraw/zinc/72/82/78/1069728278.db2.gz AKRZKJCBMHMBLC-DEOSSOPVSA-N 1 2 454.644 4.469 20 0 JIADLO CC(C)(C)c1nnc(N2CCCN(C(=O)c3cccc(Cl)c3)CC2)n1CCCNc1cccc[nH+]1 ZINC001359512358 1069793615 /nfs/dbraw/zinc/79/36/15/1069793615.db2.gz YNFWKXDAYGQWKS-UHFFFAOYSA-N 1 2 496.059 4.479 20 0 JIADLO CC(C)(C)c1nnc(N2CC[NH+](CCOc3ccccc3Cl)CC2)n1CCCOC(F)F ZINC001359515864 1069802622 /nfs/dbraw/zinc/80/26/22/1069802622.db2.gz JPTHWCGOJGRPNO-UHFFFAOYSA-N 1 2 471.980 4.059 20 0 JIADLO COc1ccc(CN(C)c2nnc(CC3CCCC3)n2Cc2c[nH+]ccc2OC)c(OC)c1 ZINC001315481040 1064341289 /nfs/dbraw/zinc/34/12/89/1064341289.db2.gz WKPSHPBOZZIOTN-UHFFFAOYSA-N 1 2 451.571 4.116 20 0 JIADLO COc1ccc(C[NH+]2CCN(c3nnc(C(C)(C)C)n3CCSC(F)(F)F)CC2)cc1F ZINC001315504481 1064414749 /nfs/dbraw/zinc/41/47/49/1064414749.db2.gz FOHNWXIDDZXPHO-UHFFFAOYSA-N 1 2 475.556 4.299 20 0 JIADLO COc1ccc(C[NH+]2CCN(c3nnc([C@H]4CCCO4)n3CC(C)(C)C(F)(F)F)CC2)cc1F ZINC001315505227 1064418821 /nfs/dbraw/zinc/41/88/21/1064418821.db2.gz OYLGPCDZNIATPT-LJQANCHMSA-N 1 2 485.526 4.188 20 0 JIADLO COc1ccc(F)cc1C[NH+]1CCN(c2nnc(C(C)C)n2Cc2nc(C(C)C)cs2)CC1 ZINC001315515030 1064460579 /nfs/dbraw/zinc/46/05/79/1064460579.db2.gz CVPOJHAENNPNLH-UHFFFAOYSA-N 1 2 472.634 4.500 20 0 JIADLO COc1ccccc1[C@H](Cn1c(N2CC[NH+](Cc3cc(C)no3)CC2)nnc1C(C)(C)C)OC(C)C ZINC001315590443 1064677410 /nfs/dbraw/zinc/67/74/10/1064677410.db2.gz DWDFKPVXOANXRA-DEOSSOPVSA-N 1 2 496.656 4.369 20 0 JIADLO COc1ccccc1C[C@@H](C)N(C)c1nnc([C@@H]2CCCCO2)n1Cc1c[nH+]ccc1OC ZINC001315613378 1064736644 /nfs/dbraw/zinc/73/66/44/1064736644.db2.gz PTXAUBAJOMBZLK-JPYJTQIMSA-N 1 2 451.571 4.048 20 0 JIADLO COc1ccccc1OC[C@H](C)Cn1c(CC(C)C)nnc1N1CCc2c(cc[nH+]c2N(C)C)C1 ZINC001315646441 1064817973 /nfs/dbraw/zinc/81/79/73/1064817973.db2.gz BXXCGHPRWFENRA-HXUWFJFHSA-N 1 2 478.641 4.224 20 0 JIADLO COc1ccccc1OCc1nnc(N2CCOC(C)(C)[C@@H]2C)n1CCCc1cccc(C)[nH+]1 ZINC001315655740 1064844953 /nfs/dbraw/zinc/84/49/53/1064844953.db2.gz YOYUOIOASOPJBM-FQEVSTJZSA-N 1 2 465.598 4.206 20 0 JIADLO COc1ccccc1SCc1nnc(N2C[C@H](C)CC(C)(C)C2)n1C[C@H](C)[NH+]1CCOCC1 ZINC001315663446 1064870332 /nfs/dbraw/zinc/87/03/32/1064870332.db2.gz ZFNPROBSCBCFAT-UXHICEINSA-N 1 2 473.687 4.172 20 0 JIADLO COc1cc[nH+]cc1Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N(C)CCc1cnccn1 ZINC001315668719 1064893426 /nfs/dbraw/zinc/89/34/26/1064893426.db2.gz CUPYOIXJRCVQQB-UHFFFAOYSA-N 1 2 457.582 4.163 20 0 JIADLO COc1cc[nH+]cc1Cn1c(-c2cccn2C)nnc1N(C)Cc1cc(OC)c(OC)cc1SC ZINC001315669920 1064898033 /nfs/dbraw/zinc/89/80/33/1064898033.db2.gz RFRVNTHMBIJATP-UHFFFAOYSA-N 1 2 494.621 4.111 20 0 JIADLO COc1cc[nH+]cc1Cn1c(-c2ccccc2Br)nnc1N(C)C[C@@H]1CCCOC1 ZINC001315670416 1064899029 /nfs/dbraw/zinc/89/90/29/1064899029.db2.gz XYFAONPPSPTYBW-INIZCTEOSA-N 1 2 472.387 4.022 20 0 JIADLO COc1cc[nH+]cc1Cn1c(CC(C)C)nnc1N(C)Cc1csc(Br)c1 ZINC001315671954 1064902310 /nfs/dbraw/zinc/90/23/10/1064902310.db2.gz NACZIACYFODQSI-UHFFFAOYSA-N 1 2 450.406 4.389 20 0 JIADLO COc1cc[nH+]cc1Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N(C)Cc1ccon1 ZINC001315671859 1064902342 /nfs/dbraw/zinc/90/23/42/1064902342.db2.gz HEGFKGOVICYUKD-UHFFFAOYSA-N 1 2 462.554 4.231 20 0 JIADLO COc1cc[nH+]cc1Cn1c(CCOc2ccccc2)nnc1N1CCC(C)=C(Br)C1 ZINC001315672945 1064904065 /nfs/dbraw/zinc/90/40/65/1064904065.db2.gz ROKVQZYYSLNYPZ-UHFFFAOYSA-N 1 2 484.398 4.231 20 0 JIADLO COc1cc[nH+]cc1Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC[C@@H](C)C1 ZINC001315672975 1064904325 /nfs/dbraw/zinc/90/43/25/1064904325.db2.gz VXBYTFATVVHLMP-MOPGFXCFSA-N 1 2 470.618 4.081 20 0 JIADLO COc1cc[nH+]cc1Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1C[C@H](C)CC[C@@H]1C ZINC001315673211 1064905223 /nfs/dbraw/zinc/90/52/23/1064905223.db2.gz VMYVHQYNGFPORQ-RMJJICAUSA-N 1 2 470.618 4.126 20 0 JIADLO COC1CCC(Cn2c(CC(C)C)nnc2N(C)C[C@H](c2cccs2)[NH+]2CCOCC2)CC1 ZINC001315681988 1064927658 /nfs/dbraw/zinc/92/76/58/1064927658.db2.gz BKVMWCLRTGYRCG-LZBANZJXSA-N 1 2 475.703 4.253 20 0 JIADLO CO[C@@H]1CN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CCCNc2cccc[nH+]2)CC[C@H]1C ZINC001315714555 1065002620 /nfs/dbraw/zinc/00/26/20/1065002620.db2.gz QMNDSVCXXUKZLZ-WOIUINJBSA-N 1 2 468.577 4.316 20 0 JIADLO COCC(C)(C)CCCn1c(CC2CCCC2)nnc1N1CCc2c(cc[nH+]c2N(C)C)C1 ZINC001315759673 1065067930 /nfs/dbraw/zinc/06/79/30/1065067930.db2.gz TUHIXMUNAZTJSE-UHFFFAOYSA-N 1 2 454.663 4.487 20 0 JIADLO COCC1(C)CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2C[C@@H](C)[NH+]2CCOCC2)CC1 ZINC001315828958 1065188453 /nfs/dbraw/zinc/18/84/53/1065188453.db2.gz QMMYPYSPHAAMGS-WOJBJXKFSA-N 1 2 492.064 4.045 20 0 JIADLO COCC1(C)CCN(c2nnc(Cc3csc(C)n3)n2CCCc2cccc(C)[nH+]2)CC1 ZINC001315835082 1065209519 /nfs/dbraw/zinc/20/95/19/1065209519.db2.gz VZWPNAXSYFJXBC-UHFFFAOYSA-N 1 2 454.644 4.223 20 0 JIADLO COC[C@@H]1CCCCN(c2nnc(-c3cccn3C)n2C[C@@H](c2c(F)cccc2F)[NH+](C)C)C1 ZINC001315880974 1065318723 /nfs/dbraw/zinc/31/87/23/1065318723.db2.gz PTIXIYJHVNUJLZ-GCJKJVERSA-N 1 2 472.584 4.118 20 0 JIADLO COC[C@H]1CCCCN(c2nnc(Cc3cccnc3)n2C[C@@H](c2c(F)cccc2F)[NH+](C)C)C1 ZINC001315883054 1065324727 /nfs/dbraw/zinc/32/47/27/1065324727.db2.gz ULXKHUVFRQEIHP-REWPJTCUSA-N 1 2 484.595 4.098 20 0 JIADLO COC[C@H]1CCCN(c2nnc(Cc3c(F)cccc3F)n2CCCc2cccc(C)[nH+]2)C1 ZINC001315895748 1065361811 /nfs/dbraw/zinc/36/18/11/1065361811.db2.gz DOUNVTGPQVZMOM-IBGZPJMESA-N 1 2 455.553 4.346 20 0 JIADLO COCCC(C)(C)Cn1c(-c2ccc(OC)cc2)nnc1N1CC[NH+](Cc2cnc(C)s2)CC1 ZINC001315956616 1065502458 /nfs/dbraw/zinc/50/24/58/1065502458.db2.gz FNDLIXIERSDQJF-UHFFFAOYSA-N 1 2 484.670 4.104 20 0 JIADLO COCC[C@@H]1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2CC(C)(C)[NH+]2CCOCC2)C1 ZINC001315991986 1065565947 /nfs/dbraw/zinc/56/59/47/1065565947.db2.gz MLJCWXHZZHEMKY-GOTSBHOMSA-N 1 2 485.673 4.009 20 0 JIADLO COCCN(CC(C)C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H]1CCCn2cc(C)[nH+]c21 ZINC001316089567 1065745571 /nfs/dbraw/zinc/74/55/71/1065745571.db2.gz WRQWYLUAKVUJRC-BHDDXSALSA-N 1 2 472.678 4.388 20 0 JIADLO COCCO[C@@H](C)c1nnc(N2CC=C(C(C)(C)C)CC2)n1C[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC001316163047 1065830244 /nfs/dbraw/zinc/83/02/44/1065830244.db2.gz BFKQCPAESKKKRN-DHLKQENFSA-N 1 2 497.684 4.258 20 0 JIADLO COCCO[C@H](C)c1nnc(N2CCCC[C@@H](C)C2)n1Cc1cc[nH+]c(N2CCCCC2)c1 ZINC001316196293 1065890975 /nfs/dbraw/zinc/89/09/75/1065890975.db2.gz BRAZKHCDNUIGKA-NHCUHLMSSA-N 1 2 456.635 4.062 20 0 JIADLO CS[C@H](C)Cn1c(CCCc2ccccc2)nnc1N1CCc2c(cc[nH+]c2N(C)C)C1 ZINC001316385007 1066154659 /nfs/dbraw/zinc/15/46/59/1066154659.db2.gz CKMYBSQYHJWMBJ-LJQANCHMSA-N 1 2 450.656 4.229 20 0 JIADLO COc1ccccc1C1(C(=O)N2CC[NH+](CCCc3nc(-c4cccs4)no3)CC2)CCC1 ZINC001325469120 1066252026 /nfs/dbraw/zinc/25/20/26/1066252026.db2.gz VNDCSYXZRVJDFQ-UHFFFAOYSA-N 1 2 466.607 4.005 20 0 JIADLO Cc1cccc(C2N=NC(=S)N2CCC(=O)Nc2ccc3nc(C[NH+]4CCCCC4)[nH]c3c2)c1 ZINC001326022310 1066280688 /nfs/dbraw/zinc/28/06/88/1066280688.db2.gz PAXLQTKWAZKBTC-UHFFFAOYSA-N 1 2 475.622 4.433 20 0 JIADLO CSC[C@H]1CCCN1c1nnc(CSc2ccc(Cl)cc2)n1C[C@H](C)[NH+]1CCOCC1 ZINC001316442198 1066304251 /nfs/dbraw/zinc/30/42/51/1066304251.db2.gz JTQASHMXKYHXRV-PKOBYXMFSA-N 1 2 482.119 4.276 20 0 JIADLO CSCCCN(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1C[C@H](C)[NH+]1CCOCC1 ZINC001316464472 1066363065 /nfs/dbraw/zinc/36/30/65/1066363065.db2.gz BFKSOUZEQLTOTC-MSOLQXFVSA-N 1 2 463.717 4.041 20 0 JIADLO Cc1cccc(CCCn2c(-c3ccc(Br)s3)nnc2N2CCOC[C@@H]2C)[nH+]1 ZINC001492525039 1066400835 /nfs/dbraw/zinc/40/08/35/1066400835.db2.gz GERSBXWBSRPECY-HNNXBMFYSA-N 1 2 462.417 4.330 20 0 JIADLO CC(C)(C)OC(=O)N[C@H](c1noc(-c2cccc(C[NH+]3CCOCC3)c2)n1)c1ccccc1 ZINC001334872048 1066401834 /nfs/dbraw/zinc/40/18/34/1066401834.db2.gz GKWODXMKKGYIMU-NRFANRHFSA-N 1 2 450.539 4.183 20 0 JIADLO Cc1cccc(CCCn2c(C(=O)Nc3ccccn3)nnc2N(Cc2ccco2)C(C)C)[nH+]1 ZINC001492525407 1066405691 /nfs/dbraw/zinc/40/56/91/1066405691.db2.gz ROFZEKZHCUBQLP-UHFFFAOYSA-N 1 2 459.554 4.270 20 0 JIADLO Cc1cccc(CCCn2c(-c3ccccc3Cl)nnc2N2CCCC[C@H](S(C)(=O)=O)C2)[nH+]1 ZINC001492526077 1066411612 /nfs/dbraw/zinc/41/16/12/1066411612.db2.gz MRMZPXYMEUYAEX-FQEVSTJZSA-N 1 2 488.057 4.338 20 0 JIADLO Cc1cccc(CCCn2c(-c3ccccn3)nnc2N2CC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C2)[nH+]1 ZINC001492525812 1066412480 /nfs/dbraw/zinc/41/24/80/1066412480.db2.gz IJJQRGWKKBOVIG-SFTDATJTSA-N 1 2 491.640 4.416 20 0 JIADLO Cc1cccc(CCCn2c([C@@H]3CCCOC3)nnc2N(C)CC(=O)N(C)[C@@H](C)c2ccccc2)[nH+]1 ZINC001492525848 1066412750 /nfs/dbraw/zinc/41/27/50/1066412750.db2.gz ITWJGHXQIGTTFB-LADGPHEKSA-N 1 2 490.652 4.164 20 0 JIADLO Cc1cccc(CCCn2c(-c3ccccn3)nnc2N2CCC(NC(=O)OC(C)(C)C)CC2)[nH+]1 ZINC001492526244 1066413671 /nfs/dbraw/zinc/41/36/71/1066413671.db2.gz RENMSKLSTACJOJ-UHFFFAOYSA-N 1 2 477.613 4.170 20 0 JIADLO Cc1cccc(CCCn2c(Cc3c(F)cccc3F)nnc2N2CCO[C@H](C(F)(F)F)C2)[nH+]1 ZINC001492527385 1066421319 /nfs/dbraw/zinc/42/13/19/1066421319.db2.gz ZYXUZKJAJKLIEH-FQEVSTJZSA-N 1 2 481.469 4.251 20 0 JIADLO Cc1cccc(CCCn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCO[C@H](C(C)C)C2)[nH+]1 ZINC001492527942 1066428382 /nfs/dbraw/zinc/42/83/82/1066428382.db2.gz YWOYJLPNJYDYLP-XPWALMASSA-N 1 2 455.647 4.394 20 0 JIADLO C[C@@H]1CCCCN1S(=O)(=O)c1cccc(C(=O)Nc2ccc3nc(C[NH+]4CCCCC4)[nH]c3c2)c1 ZINC001338430432 1066554659 /nfs/dbraw/zinc/55/46/59/1066554659.db2.gz PZTNQESFXCDTDK-LJQANCHMSA-N 1 2 495.649 4.364 20 0 JIADLO CC(=O)N[C@@H](CC(=O)Nc1ccc2nc(C[NH+]3CCCCC3)[nH]c2c1)c1ccc(Cl)cc1 ZINC001338429531 1066554758 /nfs/dbraw/zinc/55/47/58/1066554758.db2.gz LRWPHAAKEZXNFX-NRFANRHFSA-N 1 2 453.974 4.408 20 0 JIADLO Cc1cccc(CCCOCCOC(=O)c2ccc(-n3c(C)nc4ccccc4c3=O)cc2)[nH+]1 ZINC001342605276 1066599459 /nfs/dbraw/zinc/59/94/59/1066599459.db2.gz LDUDTRZBFAVEPS-UHFFFAOYSA-N 1 2 457.530 4.204 20 0 JIADLO C[C@@H](C(=O)Nc1cccc(S(=O)(=O)Nc2ccc(SC(F)F)cc2)c1)n1cc[nH+]c1 ZINC001344070321 1066624209 /nfs/dbraw/zinc/62/42/09/1066624209.db2.gz QFJHMDKMXLPBMC-ZDUSSCGKSA-N 1 2 452.508 4.198 20 0 JIADLO Cc1cccc([C@@H](Cn2c(C3CCCC3)nnc2N(C)CC(F)(F)F)[NH+]2CCOCC2)c1 ZINC001492479841 1066625451 /nfs/dbraw/zinc/62/54/51/1066625451.db2.gz IGSXPSFIMYLRSA-HXUWFJFHSA-N 1 2 451.537 4.316 20 0 JIADLO Cc1cccc([C@H](Cn2c(CC(C)C)nnc2N2CCS[C@@H](C(C)C)C2)[NH+]2CCOCC2)c1 ZINC001492481348 1066627062 /nfs/dbraw/zinc/62/70/62/1066627062.db2.gz WHYZIJABOLHFRT-BJKOFHAPSA-N 1 2 471.715 4.436 20 0 JIADLO C[C@@H]1C[NH+](Cc2ccc(C(=O)Nc3ncc(C(O)(C(F)(F)F)C(F)(F)F)s3)cc2)C[C@@H](C)O1 ZINC001317885745 1066754558 /nfs/dbraw/zinc/75/45/58/1066754558.db2.gz OXWNPPAFXLCPMU-VXGBXAGGSA-N 1 2 497.461 4.317 20 0 JIADLO COc1cccc(/C=C2\CCc3c2nc2ccccc2c3C(=O)NCCc2[nH+]ccn2C)c1OC ZINC001348614022 1066763570 /nfs/dbraw/zinc/76/35/70/1066763570.db2.gz AYYHOVJZJPJMAB-ISLYRVAYSA-N 1 2 468.557 4.445 20 0 JIADLO O=C([C@@H]1OCCO[C@@H]1C(F)(F)F)N1CC[NH+](Cc2ccc(-c3cccc(Cl)c3)s2)CC1 ZINC001349945674 1066899911 /nfs/dbraw/zinc/89/99/11/1066899911.db2.gz SOUCQCVJVAUEHR-MOPGFXCFSA-N 1 2 474.932 4.059 20 0 JIADLO Cc1cc(C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)nn1-c1ccc(Cl)c(Cl)c1 ZINC001350083148 1066915004 /nfs/dbraw/zinc/91/50/04/1066915004.db2.gz XHGWSOCZUZPUGM-LJQANCHMSA-N 1 2 459.377 4.118 20 0 JIADLO Cc1cc(C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)nn1-c1ccc(Cl)c(Cl)c1 ZINC001350083148 1066915014 /nfs/dbraw/zinc/91/50/14/1066915014.db2.gz XHGWSOCZUZPUGM-LJQANCHMSA-N 1 2 459.377 4.118 20 0 JIADLO Cn1ccnc1C[NH+]1CCC(C(=O)Nc2nc(-c3ccc(Br)s3)cs2)CC1 ZINC001350283315 1066940116 /nfs/dbraw/zinc/94/01/16/1066940116.db2.gz WENODAMXKPSEGR-UHFFFAOYSA-N 1 2 466.430 4.218 20 0 JIADLO O=C(Nc1ccc2nc(C[NH+]3CCCCC3)[nH]c2c1)[C@H]1CCN(c2ccccc2Br)C1=O ZINC001318214219 1066963133 /nfs/dbraw/zinc/96/31/33/1066963133.db2.gz PWTFSZKUMGDAQQ-QGZVFWFLSA-N 1 2 496.409 4.303 20 0 JIADLO CSc1ccc([C@@H](CNC(=O)[C@@H](NC(C)=O)C(C)(C)C)[N@@H+]2CCc3sccc3C2)cc1 ZINC001350520483 1066967691 /nfs/dbraw/zinc/96/76/91/1066967691.db2.gz SNYGXTZFPHHACB-IFMALSPDSA-N 1 2 459.681 4.236 20 0 JIADLO CSc1ccc([C@@H](CNC(=O)[C@@H](NC(C)=O)C(C)(C)C)[N@H+]2CCc3sccc3C2)cc1 ZINC001350520483 1066967704 /nfs/dbraw/zinc/96/77/04/1066967704.db2.gz SNYGXTZFPHHACB-IFMALSPDSA-N 1 2 459.681 4.236 20 0 JIADLO CN(Cc1ccc(C(N)=O)cc1)C(=O)NCc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC001318257658 1066986891 /nfs/dbraw/zinc/98/68/91/1066986891.db2.gz KUKJUBALXONWNX-UHFFFAOYSA-N 1 2 453.546 4.039 20 0 JIADLO O=C(Nc1ccc2nc(C[NH+]3CCCCC3)[nH]c2c1)[C@@H]1CS[C@@]2(c3ccc(F)cc3)CCC(=O)N12 ZINC001318262432 1066989795 /nfs/dbraw/zinc/98/97/95/1066989795.db2.gz LVPHZSXBOLWXGP-BKMJKUGQSA-N 1 2 493.608 4.217 20 0 JIADLO O=C(Nc1ccc2nc(C[NH+]3CCCCC3)[nH]c2c1)[C@@H]1CS[C@]2(c3ccc(F)cc3)CCC(=O)N12 ZINC001318262436 1066989923 /nfs/dbraw/zinc/98/99/23/1066989923.db2.gz LVPHZSXBOLWXGP-NVQXNPDNSA-N 1 2 493.608 4.217 20 0 JIADLO C[C@H]1CCCN(S(=O)(=O)c2ccc(C(=O)Nc3ccc4nc(C[NH+]5CCCCC5)[nH]c4c3)cc2)C1 ZINC001318263454 1066990592 /nfs/dbraw/zinc/99/05/92/1066990592.db2.gz UXXKMKQKZDUSAO-IBGZPJMESA-N 1 2 495.649 4.222 20 0 JIADLO Cc1ccc(-c2nn(-c3ccccc3Cl)cc2C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)cc1 ZINC001318305245 1067009204 /nfs/dbraw/zinc/00/92/04/1067009204.db2.gz BLCNJXRZOACNSN-UHFFFAOYSA-N 1 2 490.995 4.282 20 0 JIADLO COc1ccc(C)cc1C[NH+]1CCN(C(=O)NCc2ccccc2CNC(=O)OC(C)(C)C)CC1 ZINC001318311420 1067012038 /nfs/dbraw/zinc/01/20/38/1067012038.db2.gz UXQADTNPKDPTAR-UHFFFAOYSA-N 1 2 482.625 4.056 20 0 JIADLO COc1cc(Cl)c(C)cc1N1C(=O)C[C@@H]([NH+]2CCC(C)(N(C)C(=O)OC(C)(C)C)CC2)C1=O ZINC001318340303 1067024305 /nfs/dbraw/zinc/02/43/05/1067024305.db2.gz OHSIYUXPRLQCDK-GOSISDBHSA-N 1 2 480.005 4.010 20 0 JIADLO Cc1cc(NC(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)n(-c2cccc(C(F)(F)F)c2)n1 ZINC001318342841 1067025270 /nfs/dbraw/zinc/02/52/70/1067025270.db2.gz LOWPUISPAVUCPM-OAQYLSRUSA-N 1 2 473.499 4.222 20 0 JIADLO Cc1cc(NC(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)n(-c2cccc(C(F)(F)F)c2)n1 ZINC001318342841 1067025283 /nfs/dbraw/zinc/02/52/83/1067025283.db2.gz LOWPUISPAVUCPM-OAQYLSRUSA-N 1 2 473.499 4.222 20 0 JIADLO COc1cc[nH+]cc1Cn1c(-c2ccccc2Cl)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1 ZINC001300693594 1067045292 /nfs/dbraw/zinc/04/52/92/1067045292.db2.gz WGUNISZWINFWQY-SFHVURJKSA-N 1 2 483.016 4.182 20 0 JIADLO COc1cc[nH+]cc1Cn1c(-c2ccc(Br)s2)nnc1N(C)C[C@H]1CCCOC1 ZINC001300693692 1067045645 /nfs/dbraw/zinc/04/56/45/1067045645.db2.gz KHBLKYPLGKHFJE-CQSZACIVSA-N 1 2 478.416 4.084 20 0 JIADLO COc1cc[nH+]cc1Cn1c(-c2ccc(Cl)cc2)nnc1N1C[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C1 ZINC001300694245 1067047514 /nfs/dbraw/zinc/04/75/14/1067047514.db2.gz PYZOBRCMPKIYRN-OXQOHEQNSA-N 1 2 499.015 4.400 20 0 JIADLO COc1cc[nH+]cc1Cn1c(CCOc2ccccc2)nnc1N1CCC[C@H](OC(C)(C)C)C1 ZINC001300695126 1067050752 /nfs/dbraw/zinc/05/07/52/1067050752.db2.gz LXRBQMXPMGZRFH-QFIPXVFZSA-N 1 2 465.598 4.135 20 0 JIADLO COc1cc[nH+]cc1Cn1c([C@@H]2CCCCO2)nnc1N(C)CCCOc1ccccc1C ZINC001300696571 1067053777 /nfs/dbraw/zinc/05/37/77/1067053777.db2.gz FTWXYRKKWOAZHV-QHCPKHFHSA-N 1 2 451.571 4.185 20 0 JIADLO COc1cc[nH+]cc1Cn1c(CC(C)(C)C)nnc1N1CCC(C(=O)Nc2ccc(Cl)cn2)CC1 ZINC001300697390 1067055687 /nfs/dbraw/zinc/05/56/87/1067055687.db2.gz RJDIAQNSETTZIL-UHFFFAOYSA-N 1 2 498.031 4.222 20 0 JIADLO COc1cc[nH+]cc1Cn1c(N2CCO[C@H](c3cccc(Br)c3)C2)nnc1C(C)(C)C ZINC001300701575 1067061784 /nfs/dbraw/zinc/06/17/84/1067061784.db2.gz CXZNFWZQTSGORR-FQEVSTJZSA-N 1 2 486.414 4.368 20 0 JIADLO COc1cc[nH+]cc1Cn1c(COc2ccccc2OC)nnc1N(C)[C@@H]1CCC[C@H](C)C1 ZINC001300701557 1067061915 /nfs/dbraw/zinc/06/19/15/1067061915.db2.gz CTWAPQYJDZAFPM-AZUAARDMSA-N 1 2 451.571 4.333 20 0 JIADLO COc1cc[nH+]cc1Cn1c(CSc2ccccc2OC)nnc1N(C)Cc1nccs1 ZINC001300701823 1067062212 /nfs/dbraw/zinc/06/22/12/1067062212.db2.gz JAXKYVWLZGOUCB-UHFFFAOYSA-N 1 2 468.608 4.124 20 0 JIADLO COc1cc[nH+]cc1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)CC(=O)Nc1ccc(C)cc1 ZINC001300701860 1067063258 /nfs/dbraw/zinc/06/32/58/1067063258.db2.gz KAWOINXVPHRMRW-ZJSXRUAMSA-N 1 2 492.624 4.032 20 0 JIADLO COc1cc[nH+]cc1Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCO[C@@H](C(C)C)C1 ZINC001300702063 1067063408 /nfs/dbraw/zinc/06/34/08/1067063408.db2.gz NEOLFWOZNGGJIJ-XMMPIXPASA-N 1 2 479.625 4.468 20 0 JIADLO COc1cc[nH+]cc1Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N(C)Cc1ccccc1C ZINC001300702535 1067065324 /nfs/dbraw/zinc/06/53/24/1067065324.db2.gz SQTJHLAYBALFSE-GRGXKFILSA-N 1 2 492.624 4.446 20 0 JIADLO COc1cc[nH+]cc1Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCCO[C@H](C)C1 ZINC001300702838 1067066263 /nfs/dbraw/zinc/06/62/63/1067066263.db2.gz WKOOAHYUJABVAJ-OAHLLOKOSA-N 1 2 478.380 4.231 20 0 JIADLO Cc1ccc(C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)cc1NC(=O)Nc1ccccc1 ZINC001351353546 1067082399 /nfs/dbraw/zinc/08/23/99/1067082399.db2.gz JPCHRLXRVJCVFI-DEOSSOPVSA-N 1 2 458.562 4.270 20 0 JIADLO Cc1ccc(C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)cc1NC(=O)Nc1ccccc1 ZINC001351353546 1067082416 /nfs/dbraw/zinc/08/24/16/1067082416.db2.gz JPCHRLXRVJCVFI-DEOSSOPVSA-N 1 2 458.562 4.270 20 0 JIADLO CC(C)(COc1cc(Cl)cc(Cl)c1)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001351355998 1067083198 /nfs/dbraw/zinc/08/31/98/1067083198.db2.gz ZLFBGSYIJIKXRV-OAQYLSRUSA-N 1 2 451.394 4.416 20 0 JIADLO CC(C)(COc1cc(Cl)cc(Cl)c1)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001351355998 1067083211 /nfs/dbraw/zinc/08/32/11/1067083211.db2.gz ZLFBGSYIJIKXRV-OAQYLSRUSA-N 1 2 451.394 4.416 20 0 JIADLO C[C@@H](C(=O)Nc1cc(Cl)c(NC(=O)c2ccc(S(C)(=O)=O)cc2)c(Cl)c1)n1cc[nH+]c1 ZINC001320179424 1067086593 /nfs/dbraw/zinc/08/65/93/1067086593.db2.gz MSSDSKBPBCGKBY-LBPRGKRZSA-N 1 2 481.361 4.045 20 0 JIADLO Cc1ccc(C(=O)c2ccccc2C(=O)OCC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)cc1C ZINC001321477812 1067140220 /nfs/dbraw/zinc/14/02/20/1067140220.db2.gz CCZQLXVHKCXTRP-UHFFFAOYSA-N 1 2 486.568 4.162 20 0 JIADLO CN1C(=O)C[C@@H](C(=O)NCc2ccccc2-c2ccc(Cn3cc[nH+]c3)cc2)c2ccccc21 ZINC001321549131 1067162446 /nfs/dbraw/zinc/16/24/46/1067162446.db2.gz BADIQGBVTLXUGF-RUZDIDTESA-N 1 2 450.542 4.365 20 0 JIADLO CCCS(=O)(=O)Nc1cccc(NC(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)c1 ZINC001200822473 1067297790 /nfs/dbraw/zinc/29/77/90/1067297790.db2.gz QARAZERDWJHRMW-UHFFFAOYSA-N 1 2 451.552 4.398 20 0 JIADLO Cc1cccc(-c2nnc(N(C)C[C@H](c3cccs3)[NH+]3CCOCC3)n2CCC(C)C)n1 ZINC001492498077 1067340719 /nfs/dbraw/zinc/34/07/19/1067340719.db2.gz RCTZHBOHNZPGNZ-OAQYLSRUSA-N 1 2 454.644 4.266 20 0 JIADLO C[NH+]1CCN(C(=O)c2ccccc2NC(=O)c2cc(-c3ccc(Cl)cc3Cl)on2)CC1 ZINC001355033619 1067351020 /nfs/dbraw/zinc/35/10/20/1067351020.db2.gz SFCUVRRRNMXKCV-UHFFFAOYSA-N 1 2 459.333 4.288 20 0 JIADLO C[C@@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)CCc1ccccc1OC(F)(F)F ZINC001352469793 1067419411 /nfs/dbraw/zinc/41/94/11/1067419411.db2.gz UAQKZUDJUCXULQ-IBGZPJMESA-N 1 2 450.501 4.267 20 0 JIADLO Cc1cn(C)nc1C(=O)N1CC[NH+](Cc2ccc(-c3cccc(Br)c3)s2)CC1 ZINC001352495284 1067444471 /nfs/dbraw/zinc/44/44/71/1067444471.db2.gz VDSVHEHYOVPYIK-UHFFFAOYSA-N 1 2 459.413 4.178 20 0 JIADLO C[C@@H](CNC(=O)c1ccsc1NC(=O)c1ccc2c(c1)CCCC2)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001300038373 1067451404 /nfs/dbraw/zinc/45/14/04/1067451404.db2.gz GAHIYJQIZOMKBW-OKZBNKHCSA-N 1 2 455.624 4.107 20 0 JIADLO C[C@@H](CNC(=O)c1ccsc1NC(=O)c1ccc2c(c1)CCCC2)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001300038373 1067451413 /nfs/dbraw/zinc/45/14/13/1067451413.db2.gz GAHIYJQIZOMKBW-OKZBNKHCSA-N 1 2 455.624 4.107 20 0 JIADLO CCN(C[C@@H]1COc2ccccc2O1)C(=O)[C@@H](c1cccc(Br)c1)[NH+]1CCCC1 ZINC001352506086 1067453587 /nfs/dbraw/zinc/45/35/87/1067453587.db2.gz NIZASFDLKJKEOC-DENIHFKCSA-N 1 2 459.384 4.275 20 0 JIADLO COc1ccc(-c2nnc(N3CC[C@H](NC(=O)OC(C)(C)C)C3)n2CCCc2cccc(C)[nH+]2)cc1 ZINC001300044730 1067490163 /nfs/dbraw/zinc/49/01/63/1067490163.db2.gz UTKRVXHEUCZCNC-QFIPXVFZSA-N 1 2 492.624 4.393 20 0 JIADLO O=C(N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1)c1csc(Cc2cccc(C(F)(F)F)c2)n1 ZINC001355606059 1067524514 /nfs/dbraw/zinc/52/45/14/1067524514.db2.gz TVKMASCCXHRNRK-HKUYNNGSSA-N 1 2 453.530 4.126 20 0 JIADLO CC(C)C(=O)Nc1ccc(CNC(=O)[C@@H](c2cccc(Br)c2)[NH+]2CCCC2)cc1 ZINC001355899988 1067602837 /nfs/dbraw/zinc/60/28/37/1067602837.db2.gz HUJVEPLBALWCDQ-OAQYLSRUSA-N 1 2 458.400 4.497 20 0 JIADLO Cc1c(C(=O)NCc2cccc(Cn3cc[nH+]c3)c2)cnn1-c1cccc(Br)c1 ZINC001355979898 1067623678 /nfs/dbraw/zinc/62/36/78/1067623678.db2.gz RKXBMWHONWEFGZ-UHFFFAOYSA-N 1 2 450.340 4.118 20 0 JIADLO O=C(c1ccn(CC(F)(F)F)n1)N1CC[NH+](Cc2ccc(-c3cccc(F)c3)s2)CC1 ZINC001356020637 1067635811 /nfs/dbraw/zinc/63/58/11/1067635811.db2.gz AQYMBQKRRDVKGT-UHFFFAOYSA-N 1 2 452.477 4.271 20 0 JIADLO CC(C)(C)OC(=O)N1C[C@@H](Cc2ccccc2)[C@H](C(=O)Nc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC001356157931 1067675120 /nfs/dbraw/zinc/67/51/20/1067675120.db2.gz INXRNQUENXSRMK-ILBGXUMGSA-N 1 2 479.621 4.183 20 0 JIADLO CC(C)(C)OC(=O)c1ccccc1CC(=O)Nc1nc2ccccc2n1CCCn1cc[nH+]c1 ZINC001352779224 1067715395 /nfs/dbraw/zinc/71/53/95/1067715395.db2.gz NKNSARMTCFJARR-UHFFFAOYSA-N 1 2 459.550 4.460 20 0 JIADLO COc1ccc(CCc2nnc(N3CCc4c(cc[nH+]c4N(C)C)C3)n2CC(C)(C)SC)cc1 ZINC001300120916 1067738993 /nfs/dbraw/zinc/73/89/93/1067738993.db2.gz UUHFAZQPRGJTCH-UHFFFAOYSA-N 1 2 480.682 4.237 20 0 JIADLO COc1ccc(CCCn2c(C(C)C)nnc2N2CCc3c(cc[nH+]c3N(C)C)C2)cc1OC ZINC001300133000 1067771915 /nfs/dbraw/zinc/77/19/15/1067771915.db2.gz KJXNGURKBAZDHB-UHFFFAOYSA-N 1 2 464.614 4.075 20 0 JIADLO COc1ccc(CCCn2c(CC(C)C)nnc2N2CCc3c(cc[nH+]c3N(C)C)C2)cc1OC ZINC001300137372 1067781156 /nfs/dbraw/zinc/78/11/56/1067781156.db2.gz WBIIDRABDOKFDC-UHFFFAOYSA-N 1 2 478.641 4.150 20 0 JIADLO C[C@@H]1CN(c2ccc(Cl)c(F)c2)CCN1C(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC001200176038 1067809898 /nfs/dbraw/zinc/80/98/98/1067809898.db2.gz YIKITTXWJNPOEP-QGZVFWFLSA-N 1 2 457.937 4.497 20 0 JIADLO O=C(Nc1ccccc1OCCn1cc[nH+]c1)N1CCOc2cccc(Br)c2C1 ZINC001200175684 1067809938 /nfs/dbraw/zinc/80/99/38/1067809938.db2.gz XEWBJGNQQZNJNU-UHFFFAOYSA-N 1 2 457.328 4.151 20 0 JIADLO CC(C)(C)OC(=O)CCC(=O)N1CC[NH+](CCOC(c2ccccc2)c2ccccc2)CC1 ZINC001357279233 1067829538 /nfs/dbraw/zinc/82/95/38/1067829538.db2.gz KYNFOXBOABIRFL-UHFFFAOYSA-N 1 2 452.595 4.059 20 0 JIADLO Cc1ccccc1C1(CNC(=O)C[N@H+](CCNC(=O)OC(C)(C)C)Cc2ccccc2)CC1 ZINC001357681783 1067885914 /nfs/dbraw/zinc/88/59/14/1067885914.db2.gz VLIAHOJUMPJXPA-UHFFFAOYSA-N 1 2 451.611 4.170 20 0 JIADLO Cc1ccccc1C1(CNC(=O)C[N@@H+](CCNC(=O)OC(C)(C)C)Cc2ccccc2)CC1 ZINC001357681783 1067885916 /nfs/dbraw/zinc/88/59/16/1067885916.db2.gz VLIAHOJUMPJXPA-UHFFFAOYSA-N 1 2 451.611 4.170 20 0 JIADLO CC(C)C(=O)Nc1ccc(CNC(=O)[C@H](c2ccc(Br)cc2)[NH+]2CCCC2)cc1 ZINC001353203166 1067898686 /nfs/dbraw/zinc/89/86/86/1067898686.db2.gz NSMBPRCKYIHJOO-NRFANRHFSA-N 1 2 458.400 4.497 20 0 JIADLO CC(C)C(=O)Nc1ccc(CNC(=O)[C@@H](c2ccc(Br)cc2)[NH+]2CCCC2)cc1 ZINC001353203567 1067898717 /nfs/dbraw/zinc/89/87/17/1067898717.db2.gz NSMBPRCKYIHJOO-OAQYLSRUSA-N 1 2 458.400 4.497 20 0 JIADLO COc1ccc(C[NH+]2CCN(c3nnc([C@@H]4CCCOC4)n3CCSCC(C)C)CC2)cc1F ZINC001300231971 1067917193 /nfs/dbraw/zinc/91/71/93/1067917193.db2.gz HKRDACVKFWHKJY-OAQYLSRUSA-N 1 2 491.677 4.031 20 0 JIADLO COc1ccc(C[NH+]2CCN(c3nnc(CC(C)(C)C)n3C[C@H]3CCC[C@@H]3OC)CC2)cc1F ZINC001300232322 1067918983 /nfs/dbraw/zinc/91/89/83/1067918983.db2.gz SIAPZPQBKFXQBI-IRLDBZIGSA-N 1 2 473.637 4.152 20 0 JIADLO COc1ccc(C[NH+]2CCN(c3nnc(CC(C)(C)C)n3C[C@@H]3CCOC[C@H]3C)CC2)cc1F ZINC001300232568 1067920607 /nfs/dbraw/zinc/92/06/07/1067920607.db2.gz ZCUBMCDVDCBXQP-CTNGQTDRSA-N 1 2 473.637 4.009 20 0 JIADLO COc1ccc(Cl)cc1CN(C)c1nnc([C@@H]2CCCOC2)n1CCCNc1cccc[nH+]1 ZINC001300237620 1067933372 /nfs/dbraw/zinc/93/33/72/1067933372.db2.gz MLALVDKHDXHNMG-GOSISDBHSA-N 1 2 471.005 4.368 20 0 JIADLO O=C(NCc1cccc(Cn2cc[nH+]c2)c1)Nc1cc(Br)ccc1-n1cccn1 ZINC001200287733 1067968886 /nfs/dbraw/zinc/96/88/86/1067968886.db2.gz ZPJLGWFGNFUOQB-UHFFFAOYSA-N 1 2 451.328 4.201 20 0 JIADLO O=C(COc1cccc(I)c1)Nc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC001358056473 1068004881 /nfs/dbraw/zinc/00/48/81/1068004881.db2.gz YBBVDFBNOKJYBY-UHFFFAOYSA-N 1 2 453.667 4.148 20 0 JIADLO C/C(=C\c1ccc(Br)o1)C(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC001358071823 1068009038 /nfs/dbraw/zinc/00/90/38/1068009038.db2.gz JUORWIFYLFZXNO-LUOJLBBYSA-N 1 2 453.764 4.287 20 0 JIADLO C/C(=C\c1ccc(Br)o1)C(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC001358071823 1068009061 /nfs/dbraw/zinc/00/90/61/1068009061.db2.gz JUORWIFYLFZXNO-LUOJLBBYSA-N 1 2 453.764 4.287 20 0 JIADLO Cc1c(C(=O)N(Cc2ccccc2)[C@H](C)C[NH+]2CCOCC2)cnn1-c1ccccc1Cl ZINC001358071997 1068009411 /nfs/dbraw/zinc/00/94/11/1068009411.db2.gz IPHKWSOPBCCRGJ-LJQANCHMSA-N 1 2 452.986 4.197 20 0 JIADLO COc1ccc(OCc2nnc(N(C)[C@H]3CCSC3)n2CCCc2cccc(C)[nH+]2)cc1 ZINC001300264746 1068033775 /nfs/dbraw/zinc/03/37/75/1068033775.db2.gz KVDOPQSVCUHKON-FQEVSTJZSA-N 1 2 453.612 4.144 20 0 JIADLO CO[C@H](C(=O)N(Cc1ccccc1)[C@H](C)C[NH+]1CCOCC1)c1ccccc1C(F)(F)F ZINC001358434471 1068090445 /nfs/dbraw/zinc/09/04/45/1068090445.db2.gz RRWWBNZTQBUFTF-GCJKJVERSA-N 1 2 450.501 4.142 20 0 JIADLO CO[C@@H](C(=O)N(Cc1ccccc1)[C@@H](C)C[NH+]1CCOCC1)c1ccccc1C(F)(F)F ZINC001358434474 1068090717 /nfs/dbraw/zinc/09/07/17/1068090717.db2.gz RRWWBNZTQBUFTF-PGRDOPGGSA-N 1 2 450.501 4.142 20 0 JIADLO O=C(C[NH+]1CCC(NC(=O)c2cc(Br)ccc2C2CC2)CC1)Nc1ccccc1 ZINC001353519225 1068257877 /nfs/dbraw/zinc/25/78/77/1068257877.db2.gz SYUMGDTYLIECHR-UHFFFAOYSA-N 1 2 456.384 4.159 20 0 JIADLO COc1cccc(C(C)(C)Cn2c(CC(C)(C)C)nnc2N2CC[NH+](Cc3cc(C)no3)CC2)c1 ZINC001300333298 1068288213 /nfs/dbraw/zinc/28/82/13/1068288213.db2.gz SDZLOJUFCWZXTP-UHFFFAOYSA-N 1 2 480.657 4.472 20 0 JIADLO CCc1ccc(-c2nn(-c3ccccc3C)cc2C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)cc1 ZINC000519504286 1068316782 /nfs/dbraw/zinc/31/67/82/1068316782.db2.gz IYWXUKKEZCCJRM-UHFFFAOYSA-N 1 2 484.604 4.191 20 0 JIADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)c1c2c(nc3ccccc31)/C(=C/c1ccco1)CC2 ZINC000520187908 1068322352 /nfs/dbraw/zinc/32/23/52/1068322352.db2.gz MDVRZPRCODEOBK-VHEBQXMUSA-N 1 2 469.545 4.096 20 0 JIADLO Cc1nc(NCc2cccc(C(=O)N3CCCN(C(=O)Nc4cccc(Cl)c4)CC3)c2)cc[nH+]1 ZINC000622337392 1068360643 /nfs/dbraw/zinc/36/06/43/1068360643.db2.gz XCXFIUQWQMCXHZ-UHFFFAOYSA-N 1 2 478.984 4.431 20 0 JIADLO COc1ccccc1[C@H](Cn1c(C(C)C)nnc1N1CC[NH+](Cc2cc(C)no2)CC1)OC(C)C ZINC001300456675 1068776425 /nfs/dbraw/zinc/77/64/25/1068776425.db2.gz UQSHTTFWQMYZAS-DEOSSOPVSA-N 1 2 482.629 4.195 20 0 JIADLO COc1ccccc1-c1nnc(N(C)CCC(F)(F)F)n1Cc1ccc(N2CCO[C@H](C)C2)[nH+]c1 ZINC001300473944 1068819499 /nfs/dbraw/zinc/81/94/99/1068819499.db2.gz ACWLQEMGKBLLMH-QGZVFWFLSA-N 1 2 490.530 4.011 20 0 JIADLO COCC[S@@](=O)Cc1cccc(NC(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)c1 ZINC001200541253 1068857076 /nfs/dbraw/zinc/85/70/76/1068857076.db2.gz BJXBSKOVWNMSSH-JGCGQSQUSA-N 1 2 450.564 4.141 20 0 JIADLO C[C@H](NC(=O)c1ncoc1-c1cccc(C(F)(F)F)c1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001354157677 1068937494 /nfs/dbraw/zinc/93/74/94/1068937494.db2.gz VGQWSOOKCAEMKE-JXFKEZNVSA-N 1 2 459.468 4.380 20 0 JIADLO C[C@H](NC(=O)c1ncoc1-c1cccc(C(F)(F)F)c1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001354157677 1068937503 /nfs/dbraw/zinc/93/75/03/1068937503.db2.gz VGQWSOOKCAEMKE-JXFKEZNVSA-N 1 2 459.468 4.380 20 0 JIADLO COc1ccccc1C[C@@H](C)N(C)c1nnc(CC(C)(C)C)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001300531298 1068943262 /nfs/dbraw/zinc/94/32/62/1068943262.db2.gz WLJHPQQDKBXTSD-LJQANCHMSA-N 1 2 450.631 4.452 20 0 JIADLO COc1ccccc1Cc1nnc(N(C)Cc2ccc(C)s2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001300535965 1068955956 /nfs/dbraw/zinc/95/59/56/1068955956.db2.gz LSNDVBFCFOEQAZ-UHFFFAOYSA-N 1 2 462.623 4.393 20 0 JIADLO COc1ccccc1Cc1nnc(N2CC=C(C(F)(F)F)CC2)n1CCCNc1cccc[nH+]1 ZINC001300546871 1068986416 /nfs/dbraw/zinc/98/64/16/1068986416.db2.gz GZGRMPANSVWRRZ-UHFFFAOYSA-N 1 2 472.515 4.474 20 0 JIADLO CSc1nc(Cl)cc(C(F)(F)N2CCO[C@H](c3[nH+]cn4c3cccc4Br)C2)n1 ZINC001164420788 718889937 /nfs/dbraw/zinc/88/99/37/718889937.db2.gz VWJNIUJIPOBDGC-NSHDSACASA-N 1 2 490.761 4.385 20 0 JIADLO Cc1nc(C(F)(F)N2CCO[C@H](c3[nH+]cn4c3cccc4Br)C2)nc(Cl)c1C ZINC001164417117 718890332 /nfs/dbraw/zinc/89/03/32/718890332.db2.gz HUCJFBSRNZWBIW-ZDUSSCGKSA-N 1 2 472.721 4.280 20 0 JIADLO FC(F)(c1cnc2c(Cl)ncnc2c1)N1CCO[C@@H](c2[nH+]cn3c2cccc3Br)C1 ZINC001164418511 718890590 /nfs/dbraw/zinc/89/05/90/718890590.db2.gz OQLQVJHJOAOFFJ-CQSZACIVSA-N 1 2 495.715 4.211 20 0 JIADLO FC(F)(c1c2c(nnc1Cl)CCC2)N1CCO[C@H](c2[nH+]cn3c2cccc3Br)C1 ZINC001164417073 718890853 /nfs/dbraw/zinc/89/08/53/718890853.db2.gz HJOCYJILIHBAFO-AWEZNQCLSA-N 1 2 484.732 4.152 20 0 JIADLO O=C(c1cccnc1N1CCC2(CC(=O)c3ccc(F)cc32)CC1)N1CC[NH+](Cc2ccccc2)CC1 ZINC001164424480 718937062 /nfs/dbraw/zinc/93/70/62/718937062.db2.gz PCKZYWJCTWZJJQ-UHFFFAOYSA-N 1 2 498.602 4.303 20 0 JIADLO C[C@@H]1C[N@H+](C)[C@H](C)CN1C(F)(F)c1cccc(S(=O)(=O)Nc2nc3ccccc3nc2Cl)c1 ZINC001164633355 719237843 /nfs/dbraw/zinc/23/78/43/719237843.db2.gz LEQVMHRDLBPTHE-HUUCEWRRSA-N 1 2 495.983 4.158 20 0 JIADLO C[C@@H]1C[N@@H+](C)[C@H](C)CN1C(F)(F)c1cccc(S(=O)(=O)Nc2nc3ccccc3nc2Cl)c1 ZINC001164633355 719237846 /nfs/dbraw/zinc/23/78/46/719237846.db2.gz LEQVMHRDLBPTHE-HUUCEWRRSA-N 1 2 495.983 4.158 20 0 JIADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nccc(Cl)c1C(=O)OC)CC2 ZINC001164663467 719346490 /nfs/dbraw/zinc/34/64/90/719346490.db2.gz HSBXWWSUUMVXJZ-UHFFFAOYSA-N 1 2 465.985 4.216 20 0 JIADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nccc(Cl)c1C(=O)OC)CC2 ZINC001164663467 719346495 /nfs/dbraw/zinc/34/64/95/719346495.db2.gz HSBXWWSUUMVXJZ-UHFFFAOYSA-N 1 2 465.985 4.216 20 0 JIADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ncnc3cc4c(cc31)OCCO4)CC2 ZINC001164663072 719346894 /nfs/dbraw/zinc/34/68/94/719346894.db2.gz CHVRFRUHOYMJMQ-UHFFFAOYSA-N 1 2 482.588 4.096 20 0 JIADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ncnc3cc4c(cc31)OCCO4)CC2 ZINC001164663072 719346896 /nfs/dbraw/zinc/34/68/96/719346896.db2.gz CHVRFRUHOYMJMQ-UHFFFAOYSA-N 1 2 482.588 4.096 20 0 JIADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nc3ccccc3nc1OC)CC2 ZINC001164664580 719347668 /nfs/dbraw/zinc/34/76/68/719347668.db2.gz ZFCJQVWQCQRWLA-UHFFFAOYSA-N 1 2 454.578 4.333 20 0 JIADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nc3ccccc3nc1OC)CC2 ZINC001164664580 719347672 /nfs/dbraw/zinc/34/76/72/719347672.db2.gz ZFCJQVWQCQRWLA-UHFFFAOYSA-N 1 2 454.578 4.333 20 0 JIADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ncnc3cc(F)c(OC)cc31)CC2 ZINC001164660568 719351849 /nfs/dbraw/zinc/35/18/49/719351849.db2.gz VKNCGJBHPXGLRQ-UHFFFAOYSA-N 1 2 472.568 4.472 20 0 JIADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ncnc3cc(F)c(OC)cc31)CC2 ZINC001164660568 719351851 /nfs/dbraw/zinc/35/18/51/719351851.db2.gz VKNCGJBHPXGLRQ-UHFFFAOYSA-N 1 2 472.568 4.472 20 0 JIADLO CCOC(=O)c1cnc(-c2cccs2)nc1N1CCC2(CC1)COCC[N@@H+]2Cc1ccc(F)cc1 ZINC001164673193 719503603 /nfs/dbraw/zinc/50/36/03/719503603.db2.gz PMZQNEYFGKQFEZ-UHFFFAOYSA-N 1 2 496.608 4.392 20 0 JIADLO CCOC(=O)c1cnc(-c2cccs2)nc1N1CCC2(CC1)COCC[N@H+]2Cc1ccc(F)cc1 ZINC001164673193 719503611 /nfs/dbraw/zinc/50/36/11/719503611.db2.gz PMZQNEYFGKQFEZ-UHFFFAOYSA-N 1 2 496.608 4.392 20 0 JIADLO CCOC(=O)c1cnc2ccc(Cl)nc2c1N1CCC2(CC1)COCC[N@@H+]2Cc1ccc(F)cc1 ZINC001164673022 719506677 /nfs/dbraw/zinc/50/66/77/719506677.db2.gz MKMGSBQUYOKSQZ-UHFFFAOYSA-N 1 2 498.986 4.470 20 0 JIADLO CCOC(=O)c1cnc2ccc(Cl)nc2c1N1CCC2(CC1)COCC[N@H+]2Cc1ccc(F)cc1 ZINC001164673022 719506684 /nfs/dbraw/zinc/50/66/84/719506684.db2.gz MKMGSBQUYOKSQZ-UHFFFAOYSA-N 1 2 498.986 4.470 20 0 JIADLO CC(C)(C)c1noc(-c2ccnc(N3CCC4(CC3)COCC[N@@H+]4Cc3ccc(F)cc3)c2)n1 ZINC001164671709 719519201 /nfs/dbraw/zinc/51/92/01/719519201.db2.gz IMMTWZLCUHUBDA-UHFFFAOYSA-N 1 2 465.573 4.440 20 0 JIADLO CC(C)(C)c1noc(-c2ccnc(N3CCC4(CC3)COCC[N@H+]4Cc3ccc(F)cc3)c2)n1 ZINC001164671709 719519211 /nfs/dbraw/zinc/51/92/11/719519211.db2.gz IMMTWZLCUHUBDA-UHFFFAOYSA-N 1 2 465.573 4.440 20 0 JIADLO FC(F)(c1ccc2c(Cl)nc(Cl)nc2c1)N1CCc2onc(Cn3cc[nH+]c3)c2C1 ZINC001164677202 719565059 /nfs/dbraw/zinc/56/50/59/719565059.db2.gz LKTCGVKINODYCU-UHFFFAOYSA-N 1 2 451.264 4.277 20 0 JIADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1C(F)(F)c1ccc(-c2ccnc(Cl)c2)cc1 ZINC001164697331 719846834 /nfs/dbraw/zinc/84/68/34/719846834.db2.gz CQLFBHSZJCYDJX-REWPJTCUSA-N 1 2 479.955 4.180 20 0 JIADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ccc(-c2ccc(-c3ccccc3)cc2)nn1 ZINC001164699842 719872753 /nfs/dbraw/zinc/87/27/53/719872753.db2.gz BXRHJQBIDGXGNO-YWEHKCAJSA-N 1 2 472.589 4.043 20 0 JIADLO CC(=O)NC[C@H]1c2[nH+]cn(C(C)C)c2CCN1C(F)(F)c1cc(-c2cccs2)nnc1Cl ZINC001164721369 720316585 /nfs/dbraw/zinc/31/65/85/720316585.db2.gz GPYHMEPBLDCHGN-KRWDZBQOSA-N 1 2 480.972 4.421 20 0 JIADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4c(Cl)cc(Cl)nc4Cl)CC3)C2=O)cs1 ZINC001164826629 720364821 /nfs/dbraw/zinc/36/48/21/720364821.db2.gz XUKBLMPIRKOCNT-UHFFFAOYSA-N 1 2 474.845 4.120 20 0 JIADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4c(Cl)cc(Cl)nc4Cl)CC3)C2=O)cs1 ZINC001164826629 720364830 /nfs/dbraw/zinc/36/48/30/720364830.db2.gz XUKBLMPIRKOCNT-UHFFFAOYSA-N 1 2 474.845 4.120 20 0 JIADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4cncc(Sc5cccc(C)c5)n4)CC3)C2=O)cs1 ZINC001164821157 720375678 /nfs/dbraw/zinc/37/56/78/720375678.db2.gz YEVAYSGTUUKFJD-UHFFFAOYSA-N 1 2 494.690 4.014 20 0 JIADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4cncc(Sc5cccc(C)c5)n4)CC3)C2=O)cs1 ZINC001164821157 720375684 /nfs/dbraw/zinc/37/56/84/720375684.db2.gz YEVAYSGTUUKFJD-UHFFFAOYSA-N 1 2 494.690 4.014 20 0 JIADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4nc(Cl)cc5cc(C)ccc54)CC3)C2=O)cs1 ZINC001164820025 720376817 /nfs/dbraw/zinc/37/68/17/720376817.db2.gz KJTYYIAICHHOFJ-UHFFFAOYSA-N 1 2 470.042 4.275 20 0 JIADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4nc(Cl)cc5cc(C)ccc54)CC3)C2=O)cs1 ZINC001164820025 720376825 /nfs/dbraw/zinc/37/68/25/720376825.db2.gz KJTYYIAICHHOFJ-UHFFFAOYSA-N 1 2 470.042 4.275 20 0 JIADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4c(C)nc(-c5ccccc5)nc4Cl)CC3)C2=O)cs1 ZINC001164821092 720380553 /nfs/dbraw/zinc/38/05/53/720380553.db2.gz WNUASXPILJTDAH-UHFFFAOYSA-N 1 2 497.068 4.184 20 0 JIADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4c(C)nc(-c5ccccc5)nc4Cl)CC3)C2=O)cs1 ZINC001164821092 720380560 /nfs/dbraw/zinc/38/05/60/720380560.db2.gz WNUASXPILJTDAH-UHFFFAOYSA-N 1 2 497.068 4.184 20 0 JIADLO FC(F)(c1ccc(-c2ccnc(Cl)c2)cc1)N1CCCn2nnc(Cn3cc[nH+]c3)c2C1 ZINC001164832064 720398316 /nfs/dbraw/zinc/39/83/16/720398316.db2.gz YUQGPMFMAUPUJL-UHFFFAOYSA-N 1 2 455.900 4.194 20 0 JIADLO O=c1cc(Cn2cc[nH+]c2)nc2n1CCCN(C(F)(F)Oc1ccccc1-c1cccc(Cl)n1)C2 ZINC001164855393 720896826 /nfs/dbraw/zinc/89/68/26/720896826.db2.gz BNYPEPRWYIHIKA-UHFFFAOYSA-N 1 2 498.921 4.039 20 0 JIADLO Fc1cccc2c(Cl)nc(C(F)(F)N3Cc4c[nH+]cn4C[C@@H](COc4cccnc4)C3)nc12 ZINC001164763764 721273573 /nfs/dbraw/zinc/27/35/73/721273573.db2.gz GDPYERVBYZYDJM-CQSZACIVSA-N 1 2 474.874 4.274 20 0 JIADLO FC(F)(c1cc(-c2cccs2)nnc1Cl)N1C[C@@H]2C[N@@H+](Cc3nccs3)C[C@@H]2C1 ZINC001164784622 721427924 /nfs/dbraw/zinc/42/79/24/721427924.db2.gz LKFSJNOSYFJPQS-BETUJISGSA-N 1 2 453.971 4.428 20 0 JIADLO FC(F)(c1cc(-c2cccs2)nnc1Cl)N1C[C@@H]2C[N@H+](Cc3nccs3)C[C@@H]2C1 ZINC001164784622 721427926 /nfs/dbraw/zinc/42/79/26/721427926.db2.gz LKFSJNOSYFJPQS-BETUJISGSA-N 1 2 453.971 4.428 20 0 JIADLO O=C(c1cccnc1N1C[C@@H]2CCC[C@]2(COc2ccccn2)C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC001164794511 721506657 /nfs/dbraw/zinc/50/66/57/721506657.db2.gz ADXANJSRPXUXFW-SETSBSEESA-N 1 2 497.643 4.120 20 0 JIADLO COc1ccccc1-c1cc(C(F)(F)N2CCCn3c(C[N@H+](C)C(C)C)nnc3C2)c(Cl)nn1 ZINC001165011290 721722160 /nfs/dbraw/zinc/72/21/60/721722160.db2.gz OPKRITXGTVVSMQ-UHFFFAOYSA-N 1 2 491.974 4.193 20 0 JIADLO COc1ccccc1-c1cc(C(F)(F)N2CCCn3c(C[N@@H+](C)C(C)C)nnc3C2)c(Cl)nn1 ZINC001165011290 721722161 /nfs/dbraw/zinc/72/21/61/721722161.db2.gz OPKRITXGTVVSMQ-UHFFFAOYSA-N 1 2 491.974 4.193 20 0 JIADLO c1ccc(COc2ccc3nc(N4CCO[C@]5(C4)COCC[N@H+](Cc4cccnc4)C5)ccc3c2)cc1 ZINC001164914485 721787201 /nfs/dbraw/zinc/78/72/01/721787201.db2.gz DLLXJMAPDLUYLA-SSEXGKCCSA-N 1 2 496.611 4.317 20 0 JIADLO c1ccc(COc2ccc3nc(N4CCO[C@]5(C4)COCC[N@@H+](Cc4cccnc4)C5)ccc3c2)cc1 ZINC001164914485 721787206 /nfs/dbraw/zinc/78/72/06/721787206.db2.gz DLLXJMAPDLUYLA-SSEXGKCCSA-N 1 2 496.611 4.317 20 0 JIADLO O=C1NCC[N@H+](Cc2ccccc2)C12CCN(c1ccc(-c3cccc4ccccc43)nn1)CC2 ZINC001164951038 721979558 /nfs/dbraw/zinc/97/95/58/721979558.db2.gz WYUFXZWJUWKZSS-UHFFFAOYSA-N 1 2 463.585 4.268 20 0 JIADLO O=C1NCC[N@@H+](Cc2ccccc2)C12CCN(c1ccc(-c3cccc4ccccc43)nn1)CC2 ZINC001164951038 721979561 /nfs/dbraw/zinc/97/95/61/721979561.db2.gz WYUFXZWJUWKZSS-UHFFFAOYSA-N 1 2 463.585 4.268 20 0 JIADLO CC(=O)N1CCN(c2nnc(C(C)(C)C)n2CCCc2cccc(C)[nH+]2)CC12CCCCC2 ZINC001359381984 1069486203 /nfs/dbraw/zinc/48/62/03/1069486203.db2.gz XGTYVFKQWQIFNZ-UHFFFAOYSA-N 1 2 452.647 4.283 20 0 JIADLO CC(=O)N1CC[NH+](CCn2c(CSc3ccc(Cl)cc3)nnc2N(CC(C)C)C(C)C)CC1 ZINC001359402795 1069506239 /nfs/dbraw/zinc/50/62/39/1069506239.db2.gz NCECXUCTGPDJEF-UHFFFAOYSA-N 1 2 493.121 4.259 20 0 JIADLO CC(C)(C)C(=O)NC[C@@H]1CCCN(c2nnc(C(C)(C)C)n2Cc2cccc(Cn3cc[nH+]c3)c2)C1 ZINC001359490674 1069696427 /nfs/dbraw/zinc/69/64/27/1069696427.db2.gz YUXVPBJZDBRGMJ-QHCPKHFHSA-N 1 2 491.684 4.247 20 0 JIADLO CO[C@@H]1CN(c2nnc(-c3cccc(Br)c3)n2Cc2ccc(N(C)C)[nH+]c2)CC1(C)C ZINC001300794958 1069847152 /nfs/dbraw/zinc/84/71/52/1069847152.db2.gz FZQYXXOYIYYTQP-LJQANCHMSA-N 1 2 485.430 4.078 20 0 JIADLO CC(C)=CCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1 ZINC001359606309 1070066384 /nfs/dbraw/zinc/06/63/84/1070066384.db2.gz HOOFFRDOLQWJGX-FCHUYYIVSA-N 1 2 498.647 4.046 20 0 JIADLO CC(C)=CCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC001359610193 1070072465 /nfs/dbraw/zinc/07/24/65/1070072465.db2.gz XKGQBUAZHOAGBX-UHFFFAOYSA-N 1 2 495.672 4.471 20 0 JIADLO CC(C)[C@@H](Cn1c(CC(C)(C)C)nnc1N1CCN([C@@H](C)c2ccsc2)CC1)[NH+]1CCOCC1 ZINC001359664091 1070291063 /nfs/dbraw/zinc/29/10/63/1070291063.db2.gz ZIRVMRDFVHSWKJ-JTHBVZDNSA-N 1 2 488.746 4.168 20 0 JIADLO CC(C)c1nnc(N2CCc3nc(C(F)(F)F)ncc3C2)n1C[C@H](c1c(F)cccc1F)[NH+](C)C ZINC001359704554 1070370308 /nfs/dbraw/zinc/37/03/08/1070370308.db2.gz LFZIQRWBMBKLDI-GOSISDBHSA-N 1 2 495.500 4.354 20 0 JIADLO COc1ccc(CN(C)c2nnc(-c3cccc(C)n3)n2Cc2ccc(N(C)C)[nH+]c2)cc1C ZINC001315473227 1064315220 /nfs/dbraw/zinc/31/52/20/1064315220.db2.gz GWTZGZKIYTXYHO-UHFFFAOYSA-N 1 2 457.582 4.111 20 0 JIADLO COc1ccc(C[NH+]2CCN(c3nnc(C4CCCC4)n3CCCOC(C)C)CC2)cc1F ZINC001315505661 1064420315 /nfs/dbraw/zinc/42/03/15/1064420315.db2.gz YREAYMVVSJCRJH-UHFFFAOYSA-N 1 2 459.610 4.221 20 0 JIADLO COc1ccc(OC2CCN(c3nnc(CC(C)(C)C)n3Cc3c[nH+]ccc3OC)CC2)cc1 ZINC001315522103 1064489984 /nfs/dbraw/zinc/48/99/84/1064489984.db2.gz FJTPGSKITQQNCK-UHFFFAOYSA-N 1 2 465.598 4.375 20 0 JIADLO COc1ccc(OCc2nnc(N3C[C@H](C)CC(C)(C)C3)n2Cc2ccc(N(C)C)[nH+]c2)cc1 ZINC001315524528 1064498716 /nfs/dbraw/zinc/49/87/16/1064498716.db2.gz KCTIVWHCHLOGBX-LJQANCHMSA-N 1 2 464.614 4.247 20 0 JIADLO COc1cccc(-c2nnc(N(C)CCOC(C)(C)C)n2Cc2ccc(N3CCCC3)[nH+]c2)c1 ZINC001315553173 1064570305 /nfs/dbraw/zinc/57/03/05/1064570305.db2.gz YJCVYBQWAKUXBR-UHFFFAOYSA-N 1 2 464.614 4.249 20 0 JIADLO COc1ccccc1-c1nnc(N(CC(C)C)C(C)C)n1Cc1ccc(N2CCOCC2)[nH+]c1 ZINC001315593933 1064689857 /nfs/dbraw/zinc/68/98/57/1064689857.db2.gz BQQKPACYVKZPAH-UHFFFAOYSA-N 1 2 464.614 4.104 20 0 JIADLO COc1ccccc1O[C@@H](C)Cn1c(CC(C)(C)C)nnc1N1CC[NH+](Cc2cnc(C)s2)CC1 ZINC001315645413 1064813676 /nfs/dbraw/zinc/81/36/76/1064813676.db2.gz FHJBTSWNWNNBBX-IBGZPJMESA-N 1 2 498.697 4.430 20 0 JIADLO COc1ccccc1OCc1nnc(N2C[C@H](C)CC(C)(C)C2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001315651671 1064833136 /nfs/dbraw/zinc/83/31/36/1064833136.db2.gz BBFUWCGAEINZQA-LJQANCHMSA-N 1 2 464.614 4.247 20 0 JIADLO COc1ccccc1SCc1nnc(N(C)Cc2cnc(C)s2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001315662268 1064864130 /nfs/dbraw/zinc/86/41/30/1064864130.db2.gz UJJSKZHCLBVOBU-UHFFFAOYSA-N 1 2 495.678 4.490 20 0 JIADLO COc1ccccc1SCc1nnc(N2CCCC[C@@H](SC)C2)n1C[C@@H](C)[NH+]1CCOCC1 ZINC001315666083 1064881791 /nfs/dbraw/zinc/88/17/91/1064881791.db2.gz VRYFEEXNNXQFLP-WOJBJXKFSA-N 1 2 491.727 4.022 20 0 JIADLO COc1cc[nH+]cc1Cn1c(-c2cccnc2)nnc1N(C)Cc1csc(Br)c1 ZINC001315668647 1064892849 /nfs/dbraw/zinc/89/28/49/1064892849.db2.gz BRCKLMFCKUVHBB-UHFFFAOYSA-N 1 2 471.384 4.252 20 0 JIADLO COc1cc[nH+]cc1Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[C@H](CC(C)C)C1 ZINC001315668976 1064894250 /nfs/dbraw/zinc/89/42/50/1064894250.db2.gz FQMHCRLHLCGMMW-GOSISDBHSA-N 1 2 451.571 4.287 20 0 JIADLO COc1cc[nH+]cc1Cn1c(-c2ccc(C)c(Br)c2)nnc1N1CC[C@@H](C)[C@H](OC)C1 ZINC001315669443 1064896855 /nfs/dbraw/zinc/89/68/55/1064896855.db2.gz KZUDGJMXWFJVMX-IIBYNOLFSA-N 1 2 486.414 4.329 20 0 JIADLO COc1cc[nH+]cc1Cn1c(CC(C)C)nnc1N1CCN(Cc2csc(C(C)(C)C)n2)CC1 ZINC001315671196 1064900688 /nfs/dbraw/zinc/90/06/88/1064900688.db2.gz CFVAGMPGKMDOSB-UHFFFAOYSA-N 1 2 483.686 4.005 20 0 JIADLO COc1cc[nH+]cc1Cn1c(Cc2ccccc2C)nnc1N1CCC([C@@](C)(O)C(F)(F)F)CC1 ZINC001315672797 1064904231 /nfs/dbraw/zinc/90/42/31/1064904231.db2.gz YYNLXTQYCWMERB-XMMPIXPASA-N 1 2 489.542 4.159 20 0 JIADLO COC1CCC(Cn2c(CSc3ccc(Cl)cc3)nnc2N(C)CC[NH+]2CCOCC2)CC1 ZINC001315682936 1064930059 /nfs/dbraw/zinc/93/00/59/1064930059.db2.gz GJEXOIJECPDGNU-UHFFFAOYSA-N 1 2 494.105 4.197 20 0 JIADLO COCC(C)(C)CCCn1c(-c2ccccc2F)nnc1N1CC[C@@H]([NH+]2CCN(C(C)C)CC2)C1 ZINC001315757612 1065062101 /nfs/dbraw/zinc/06/21/01/1065062101.db2.gz JWOJUAPSULRSNG-JOCHJYFZSA-N 1 2 486.680 4.142 20 0 JIADLO COC[C@H](C)Cn1c(CC(C)(C)C)nnc1N1CC[NH+](CCOc2ccccc2Cl)CC1 ZINC001315784865 1065119047 /nfs/dbraw/zinc/11/90/47/1065119047.db2.gz CZCIRZUWUQCTLT-LJQANCHMSA-N 1 2 464.054 4.004 20 0 JIADLO COCC1(C)CCN(c2nnc([C@H]3CCCOC3)n2C[C@H](c2c(F)cccc2F)[NH+](C)C)CC1 ZINC001315831818 1065196494 /nfs/dbraw/zinc/19/64/94/1065196494.db2.gz SGGDYWPNVKTUBF-GHTZIAJQSA-N 1 2 477.600 4.006 20 0 JIADLO COC[C@H]1CCCCN(c2nnc(-c3cccn3C)n2C[C@@H](c2c(F)cccc2F)[NH+](C)C)C1 ZINC001315880972 1065318560 /nfs/dbraw/zinc/31/85/60/1065318560.db2.gz PTIXIYJHVNUJLZ-AVRDEDQJSA-N 1 2 472.584 4.118 20 0 JIADLO COCCN(c1nnc(C(C)(C)C)n1C[C@H](c1ccccc1)[NH+]1CCOCC1)[C@@H]1CC[C@@H](C)C1 ZINC001316083038 1065731197 /nfs/dbraw/zinc/73/11/97/1065731197.db2.gz RIYDSVVHTWGBQC-GMKZXUHWSA-N 1 2 469.674 4.291 20 0 JIADLO COCCN(c1nnc(C(C)(C)C)n1C[C@H](c1ccccc1)[NH+]1CCOCC1)[C@H]1CC[C@@H](C)C1 ZINC001316083041 1065731293 /nfs/dbraw/zinc/73/12/93/1065731293.db2.gz RIYDSVVHTWGBQC-YFNKSVMNSA-N 1 2 469.674 4.291 20 0 JIADLO COCCN(CC(C)C)c1nnc([C@H]2CCCCO2)n1Cc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC001316086407 1065738600 /nfs/dbraw/zinc/73/86/00/1065738600.db2.gz FQICPRBCJYIBMQ-JOCHJYFZSA-N 1 2 456.566 4.002 20 0 JIADLO COCCO[C@@H]1CCCN(c2nnc(-c3ccc(C)o3)n2C[C@H](c2c(F)cccc2F)[NH+](C)C)C1 ZINC001316239304 1065976137 /nfs/dbraw/zinc/97/61/37/1065976137.db2.gz ZZCIOCVBRZDVJB-WIYYLYMNSA-N 1 2 489.567 4.059 20 0 JIADLO CSC(C)(C)Cn1c(-c2cccnc2)nnc1N(C)C[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC001316368179 1066112914 /nfs/dbraw/zinc/11/29/14/1066112914.db2.gz WMWOBRSLVWLXAT-IBGZPJMESA-N 1 2 472.684 4.053 20 0 JIADLO CS[C@H](C)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCc2c(cc[nH+]c2N(C)C)C1 ZINC001316378449 1066145418 /nfs/dbraw/zinc/14/54/18/1066145418.db2.gz UYYQKDFAYMBACZ-OAHLLOKOSA-N 1 2 474.581 4.322 20 0 JIADLO CS[C@@H](Cn1c(-c2cnn(C)c2)nnc1N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1)C(C)(C)C ZINC001316390511 1066163205 /nfs/dbraw/zinc/16/32/05/1066163205.db2.gz BAZNKDYMOBHDDB-FQEVSTJZSA-N 1 2 497.717 4.005 20 0 JIADLO CS[C@@H](Cn1c(Cc2ccccc2F)nnc1N1CC[NH+](Cc2cc(C)no2)CC1)C(C)(C)C ZINC001316393256 1066168695 /nfs/dbraw/zinc/16/86/95/1066168695.db2.gz HUQHUKMCBOEXIB-QFIPXVFZSA-N 1 2 486.661 4.404 20 0 JIADLO CSc1cc(Cn2c(CC(C)C)nnc2N2CCN(c3cc(C)[nH+]c(C(C)C)n3)CC2)ccn1 ZINC001316413393 1066205103 /nfs/dbraw/zinc/20/51/03/1066205103.db2.gz DEBAPBOTNXCZCI-UHFFFAOYSA-N 1 2 480.686 4.190 20 0 JIADLO CSCC[C@@H](C)N(C)c1nnc(-c2ccccc2C)n1Cc1ccc[nH+]c1N1CCOCC1 ZINC001316448997 1066325051 /nfs/dbraw/zinc/32/50/51/1066325051.db2.gz XKFCESIROVTCLY-HXUWFJFHSA-N 1 2 466.655 4.111 20 0 JIADLO CC[NH+](CC)Cc1csc(NC(=O)CCc2ccc(S(=O)(=O)N3CCCCCC3)cc2)n1 ZINC001331699726 1066361314 /nfs/dbraw/zinc/36/13/14/1066361314.db2.gz BEDAQLJKDUFQJX-UHFFFAOYSA-N 1 2 478.684 4.121 20 0 JIADLO CSCCCN(C)c1nnc(CC(C)(C)C)n1C[C@@H](c1cccc(C)c1)[NH+]1CCOCC1 ZINC001316468007 1066372650 /nfs/dbraw/zinc/37/26/50/1066372650.db2.gz FNCKFEILRFVHMQ-QFIPXVFZSA-N 1 2 459.704 4.438 20 0 JIADLO CC[NH+](CC)Cc1csc(NC(=O)/C(=C/c2cccs2)n2nnnc2-c2ccccc2)n1 ZINC001333301399 1066387322 /nfs/dbraw/zinc/38/73/22/1066387322.db2.gz FBVHPNXDYMOMPN-UYRXBGFRSA-N 1 2 465.608 4.337 20 0 JIADLO Cc1cccc(CCCn2c([C@H](C)Oc3ccc(F)cc3)nnc2N2CCN(CC(F)F)CC2)[nH+]1 ZINC001492525052 1066401617 /nfs/dbraw/zinc/40/16/17/1066401617.db2.gz GSUNLDACVJYOQL-IBGZPJMESA-N 1 2 488.558 4.281 20 0 JIADLO Cc1cccc(CCCn2c([C@@H](C)Oc3ccc(F)cc3)nnc2N2CCN(CC(F)F)CC2)[nH+]1 ZINC001492525053 1066401988 /nfs/dbraw/zinc/40/19/88/1066401988.db2.gz GSUNLDACVJYOQL-LJQANCHMSA-N 1 2 488.558 4.281 20 0 JIADLO Cc1cccc(CCCn2c(-c3cc(F)ccc3Br)nnc2N2CCOC[C@H]2C)[nH+]1 ZINC001492525540 1066406094 /nfs/dbraw/zinc/40/60/94/1066406094.db2.gz SSYXPGQCFWHZDS-MRXNPFEDSA-N 1 2 474.378 4.408 20 0 JIADLO Cc1cccc(CCCn2c(-c3cc(Br)cn3C)nnc2N2CCSC[C@H]2C)[nH+]1 ZINC001492525632 1066407123 /nfs/dbraw/zinc/40/71/23/1066407123.db2.gz UMHGYBOVRQSKJI-MRXNPFEDSA-N 1 2 475.460 4.324 20 0 JIADLO Cc1cccc(CCCn2c(CC(C)(C)C)nnc2N2CCN(C(=O)c3ccsc3)CC2)[nH+]1 ZINC001492526512 1066416061 /nfs/dbraw/zinc/41/60/61/1066416061.db2.gz BLQHIDPOWOCHEG-UHFFFAOYSA-N 1 2 466.655 4.227 20 0 JIADLO Cc1cccc(CCCn2c(CC(C)(C)C)nnc2N(C)Cc2ccc(S(C)(=O)=O)cc2)[nH+]1 ZINC001492526715 1066416210 /nfs/dbraw/zinc/41/62/10/1066416210.db2.gz JFEFWZPUWHWPRZ-UHFFFAOYSA-N 1 2 469.655 4.243 20 0 JIADLO Cc1cccc(CCCn2c(CSc3ccc(Cl)cc3)nnc2N2CCC[C@H](C(N)=O)C2)[nH+]1 ZINC001492527667 1066424576 /nfs/dbraw/zinc/42/45/76/1066424576.db2.gz OTLAMNWAABWNIX-SFHVURJKSA-N 1 2 485.057 4.262 20 0 JIADLO FC(F)OCCCn1c(-c2cccc(Br)c2)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC001316521072 1066526848 /nfs/dbraw/zinc/52/68/48/1066526848.db2.gz OOODRUXOLGXUJN-UHFFFAOYSA-N 1 2 493.356 4.059 20 0 JIADLO CC(C)[C@H](C(=O)Nc1ccc2nc(C[NH+]3CCCCC3)[nH]c2c1)S(=O)(=O)C1CCCCC1 ZINC001338520074 1066561438 /nfs/dbraw/zinc/56/14/38/1066561438.db2.gz SDWAKCYRPIOWQP-HSZRJFAPSA-N 1 2 460.644 4.259 20 0 JIADLO COc1cccc(C[NH+]2CCC(NC(=O)c3cc(Br)cc(Br)c3O)CC2)c1 ZINC001339092807 1066573077 /nfs/dbraw/zinc/57/30/77/1066573077.db2.gz LHVQGUWAVQQQGV-UHFFFAOYSA-N 1 2 498.215 4.320 20 0 JIADLO CS(=O)(=O)Cc1ccc(C(=O)O[C@@H](Cn2cc[nH+]c2)c2ccc(Cl)cc2Cl)cc1 ZINC001343409672 1066613439 /nfs/dbraw/zinc/61/34/39/1066613439.db2.gz UVCRPIBWGJOYEJ-IBGZPJMESA-N 1 2 453.347 4.333 20 0 JIADLO O=C(CCN1C(=O)COc2ccccc21)O[C@H](Cn1cc[nH+]c1)c1ccc(Cl)cc1Cl ZINC001346311951 1066659753 /nfs/dbraw/zinc/65/97/53/1066659753.db2.gz JAYJEFFKLVKQGK-HXUWFJFHSA-N 1 2 460.317 4.290 20 0 JIADLO COc1cc(Br)c(OC)c(C(=O)Nc2ccccc2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC001317865172 1066741193 /nfs/dbraw/zinc/74/11/93/1066741193.db2.gz ZWZHWFHRTBDIAD-GASCZTMLSA-N 1 2 463.372 4.328 20 0 JIADLO COc1cc(Br)c(OC)c(C(=O)Nc2ccccc2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC001317865172 1066741202 /nfs/dbraw/zinc/74/12/02/1066741202.db2.gz ZWZHWFHRTBDIAD-GASCZTMLSA-N 1 2 463.372 4.328 20 0 JIADLO O=C(Cc1csc2ccc(Br)cc12)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001349100893 1066807471 /nfs/dbraw/zinc/80/74/71/1066807471.db2.gz BZTZEOQOMGUJDI-IBGZPJMESA-N 1 2 459.409 4.224 20 0 JIADLO O=C(Cc1csc2ccc(Br)cc12)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001349100893 1066807474 /nfs/dbraw/zinc/80/74/74/1066807474.db2.gz BZTZEOQOMGUJDI-IBGZPJMESA-N 1 2 459.409 4.224 20 0 JIADLO Cc1c2cc(Br)cc(C)c2oc1C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001349101910 1066807973 /nfs/dbraw/zinc/80/79/73/1066807973.db2.gz KPVLJTBDQNPUNB-LJQANCHMSA-N 1 2 457.368 4.443 20 0 JIADLO Cc1c2cc(Br)cc(C)c2oc1C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001349101910 1066807974 /nfs/dbraw/zinc/80/79/74/1066807974.db2.gz KPVLJTBDQNPUNB-LJQANCHMSA-N 1 2 457.368 4.443 20 0 JIADLO O=C(NCc1cc[nH+]c(N2CCN(c3ccc(F)cc3)CC2)c1)N1CCC(Oc2ccccc2)CC1 ZINC001317977602 1066828826 /nfs/dbraw/zinc/82/88/26/1066828826.db2.gz HYLRJWWGTCCSIS-UHFFFAOYSA-N 1 2 489.595 4.300 20 0 JIADLO C[NH+]1CCN(C(=O)c2ccccc2NC(=O)c2ccc3ccc(Br)cc3c2)CC1 ZINC001349747779 1066880124 /nfs/dbraw/zinc/88/01/24/1066880124.db2.gz WJAHXMYAPLBOBB-UHFFFAOYSA-N 1 2 452.352 4.242 20 0 JIADLO Cc1cc(C(=O)N2CC[NH+](Cc3ccc(-c4ccc(Br)cc4)s3)CC2)ncn1 ZINC001349916672 1066896463 /nfs/dbraw/zinc/89/64/63/1066896463.db2.gz MKCFTDVOPGGAKZ-UHFFFAOYSA-N 1 2 457.397 4.234 20 0 JIADLO Cc1cccc(OCc2nnc(N3CC[NH+]([C@@H](C)C(=O)N4CCCC4)CC3)n2CCCC(C)(C)C)c1 ZINC001492547487 1066929097 /nfs/dbraw/zinc/92/90/97/1066929097.db2.gz ZZAIPRLLDADWMC-QHCPKHFHSA-N 1 2 496.700 4.125 20 0 JIADLO COC(=O)/C=C/c1ccc(C(=O)N2CC[NH+](Cc3ccc(-c4cccc(F)c4)s3)CC2)o1 ZINC001350235878 1066935297 /nfs/dbraw/zinc/93/52/97/1066935297.db2.gz CLKZOSFWIJWSTA-UXBLZVDNSA-N 1 2 454.523 4.291 20 0 JIADLO CCOC(=O)c1c(CC)c(C)sc1NC(=O)C[NH+]1CCC([C@H]2C(=O)Nc3ccccc32)CC1 ZINC001318188239 1066948363 /nfs/dbraw/zinc/94/83/63/1066948363.db2.gz RUDCMSRJQGNZTQ-OAQYLSRUSA-N 1 2 469.607 4.182 20 0 JIADLO CSc1ccc([C@H](CNC(=O)c2nnn(C(C)C)c2C)[N@@H+]2CCc3sccc3C2)cc1 ZINC001350520182 1066967363 /nfs/dbraw/zinc/96/73/63/1066967363.db2.gz JTXGKNJNBQORFA-FQEVSTJZSA-N 1 2 455.653 4.480 20 0 JIADLO CSc1ccc([C@H](CNC(=O)c2nnn(C(C)C)c2C)[N@H+]2CCc3sccc3C2)cc1 ZINC001350520182 1066967372 /nfs/dbraw/zinc/96/73/72/1066967372.db2.gz JTXGKNJNBQORFA-FQEVSTJZSA-N 1 2 455.653 4.480 20 0 JIADLO CSc1ccc([C@H](CNC(=O)[C@@H](NC(C)=O)C(C)(C)C)[N@@H+]2CCc3sccc3C2)cc1 ZINC001350520484 1066967617 /nfs/dbraw/zinc/96/76/17/1066967617.db2.gz SNYGXTZFPHHACB-RBBKRZOGSA-N 1 2 459.681 4.236 20 0 JIADLO CSc1ccc([C@H](CNC(=O)[C@@H](NC(C)=O)C(C)(C)C)[N@H+]2CCc3sccc3C2)cc1 ZINC001350520484 1066967631 /nfs/dbraw/zinc/96/76/31/1066967631.db2.gz SNYGXTZFPHHACB-RBBKRZOGSA-N 1 2 459.681 4.236 20 0 JIADLO O=C(Nc1ccc2nc(C[NH+]3CCCCC3)[nH]c2c1)C1(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC001318262961 1066989890 /nfs/dbraw/zinc/98/98/90/1066989890.db2.gz RBYKNVZJPBANSF-UHFFFAOYSA-N 1 2 472.998 4.147 20 0 JIADLO O=C(NCc1cc[nH+]c(N2CCCCC2)c1)c1ccc(Cn2cc(Br)cn2)cc1 ZINC001350781792 1067001435 /nfs/dbraw/zinc/00/14/35/1067001435.db2.gz FPNUXMGMJVRNID-UHFFFAOYSA-N 1 2 454.372 4.009 20 0 JIADLO O=C1C[C@@H]([NH+]2CCC([C@H]3C(=O)Nc4ccccc43)CC2)C(=O)N1c1ccc(Cl)c(C(F)(F)F)c1 ZINC001318338962 1067022813 /nfs/dbraw/zinc/02/28/13/1067022813.db2.gz SBMPGHPMUJFJOF-TZIWHRDSSA-N 1 2 491.897 4.439 20 0 JIADLO COc1ccccc1SCc1nnc(N2CCOC[C@@H]2C)n1CCCc1cccc(C)[nH+]1 ZINC001300687364 1067030735 /nfs/dbraw/zinc/03/07/35/1067030735.db2.gz OLRMJPXWISBHOV-IBGZPJMESA-N 1 2 453.612 4.140 20 0 JIADLO O=C(CCn1cnc2sc3c(c2c1=O)CCCC3)Nc1ccc2nc(C[NH+]3CCCCC3)[nH]c2c1 ZINC001318418725 1067040195 /nfs/dbraw/zinc/04/01/95/1067040195.db2.gz VHPYSPMVQKNYHI-UHFFFAOYSA-N 1 2 490.633 4.228 20 0 JIADLO O=C(Nc1ccc2nc(C[NH+]3CCCCC3)[nH]c2c1)c1sccc1S(=O)(=O)N1CCCCC1 ZINC001318417875 1067040587 /nfs/dbraw/zinc/04/05/87/1067040587.db2.gz MQDWWTDWFDEEIA-UHFFFAOYSA-N 1 2 487.651 4.037 20 0 JIADLO COc1cc[nH+]cc1Cn1c(-c2ccc(Br)cc2Cl)nnc1N(C)C[C@@H]1CCOC1 ZINC001300694238 1067047476 /nfs/dbraw/zinc/04/74/76/1067047476.db2.gz PXXSGQYZIWLFLK-AWEZNQCLSA-N 1 2 492.805 4.286 20 0 JIADLO COc1cc[nH+]cc1Cn1c(Cc2ccc(Cl)cc2)nnc1N1CC[C@H](OCC(C)C)C1 ZINC001300696479 1067053825 /nfs/dbraw/zinc/05/38/25/1067053825.db2.gz CICXYWMGMCGZGS-NRFANRHFSA-N 1 2 455.990 4.226 20 0 JIADLO COc1cc[nH+]cc1Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@H](C)[C@H]1C ZINC001300696701 1067054388 /nfs/dbraw/zinc/05/43/88/1067054388.db2.gz GVWBDTHYLAUSNA-IPMKNSEASA-N 1 2 470.618 4.079 20 0 JIADLO COc1cc[nH+]cc1Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@H](C)[C@@H]1C ZINC001300696699 1067054604 /nfs/dbraw/zinc/05/46/04/1067054604.db2.gz GVWBDTHYLAUSNA-GBESFXJTSA-N 1 2 470.618 4.079 20 0 JIADLO COc1cc[nH+]cc1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@@](C)(OC)CC1 ZINC001300701593 1067062310 /nfs/dbraw/zinc/06/23/10/1067062310.db2.gz DEFYTPRYWDJRRU-DZRGJMJISA-N 1 2 457.619 4.044 20 0 JIADLO COc1cc[nH+]cc1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCO[C@@](C)(C(C)(C)C)C1 ZINC001300701868 1067062805 /nfs/dbraw/zinc/06/28/05/1067062805.db2.gz KHPKKGALPDDRAA-NYUJMHJJSA-N 1 2 471.646 4.290 20 0 JIADLO COc1cc[nH+]cc1Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)CCOC(C)(C)C ZINC001300702846 1067066375 /nfs/dbraw/zinc/06/63/75/1067066375.db2.gz WPFJHTFEQGRYFH-IBGZPJMESA-N 1 2 488.633 4.053 20 0 JIADLO O=C(NCCc1cccc(F)c1)c1cccnc1N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC001351313839 1067075090 /nfs/dbraw/zinc/07/50/90/1067075090.db2.gz PMGUWFOSMCOUPG-UHFFFAOYSA-N 1 2 452.961 4.169 20 0 JIADLO Cc1cc(NC(=O)[C@H](C)SCC(=O)NCc2ccccc2-c2ccc(Cn3cc[nH+]c3)cc2)no1 ZINC000504771047 1067081847 /nfs/dbraw/zinc/08/18/47/1067081847.db2.gz ZWONKBQPHZOELA-IBGZPJMESA-N 1 2 489.601 4.271 20 0 JIADLO O=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1)c1cc(F)c(OCc2ccccc2)c(F)c1 ZINC001351355700 1067083286 /nfs/dbraw/zinc/08/32/86/1067083286.db2.gz XOXQLTANYXCJAQ-JOCHJYFZSA-N 1 2 452.501 4.175 20 0 JIADLO O=C(NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)c1cc(F)c(OCc2ccccc2)c(F)c1 ZINC001351355700 1067083302 /nfs/dbraw/zinc/08/33/02/1067083302.db2.gz XOXQLTANYXCJAQ-JOCHJYFZSA-N 1 2 452.501 4.175 20 0 JIADLO Fc1cc(Br)cc(Br)c1NC(=S)N1CC([NH+]2CCC(F)(F)CC2)C1 ZINC001200798479 1067175075 /nfs/dbraw/zinc/17/50/75/1067175075.db2.gz BTSNAEASWLVMFT-UHFFFAOYSA-N 1 2 487.183 4.463 20 0 JIADLO Cc1cc([C@H](C)NC(=O)[C@H](Cc2cn(Cc3ccccc3)c[nH+]2)NC(=O)OC(C)(C)C)c(C)o1 ZINC001321618826 1067177459 /nfs/dbraw/zinc/17/74/59/1067177459.db2.gz NJJXZEIHVYBFJH-MBSDFSHPSA-N 1 2 466.582 4.454 20 0 JIADLO Fc1cc(Br)cc(Br)c1NC(=S)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC001200805989 1067229522 /nfs/dbraw/zinc/22/95/22/1067229522.db2.gz YJUHOIRKBQFFBH-LLVKDONJSA-N 1 2 474.197 4.311 20 0 JIADLO Cc1cc(C(=O)N2CCCC[C@@H]2C)ccc1NC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001322063316 1067246062 /nfs/dbraw/zinc/24/60/62/1067246062.db2.gz KRNRAEDUOMMAMQ-URXFXBBRSA-N 1 2 464.610 4.032 20 0 JIADLO Cc1cc(C(=O)N2CCCC[C@@H]2C)ccc1NC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001322063316 1067246083 /nfs/dbraw/zinc/24/60/83/1067246083.db2.gz KRNRAEDUOMMAMQ-URXFXBBRSA-N 1 2 464.610 4.032 20 0 JIADLO CCn1c(SCC(=O)Nc2ccc3nc(C[NH+]4CCCCC4)[nH]c3c2)nnc1-c1ccco1 ZINC001322404508 1067286991 /nfs/dbraw/zinc/28/69/91/1067286991.db2.gz PCSKWYHUPFNZLL-UHFFFAOYSA-N 1 2 465.583 4.151 20 0 JIADLO Cc1cc(C(=O)Nc2ccccc2C(=O)N2CC[NH+](C)CC2)cc(Cl)c1Br ZINC001352335580 1067334432 /nfs/dbraw/zinc/33/44/32/1067334432.db2.gz ZFENLUIJIJUNFX-UHFFFAOYSA-N 1 2 450.764 4.051 20 0 JIADLO COc1ccc(-c2nnc(N(C)CC(F)(F)F)n2Cc2ccc(N(C)C)[nH+]c2)cc1Br ZINC001300001304 1067339338 /nfs/dbraw/zinc/33/93/38/1067339338.db2.gz VYCSKKZFEHUMAB-UHFFFAOYSA-N 1 2 499.335 4.224 20 0 JIADLO COc1ccc(-c2nnc(N(C)CCCSC)n2C[C@@H]2CCCn3cc(C)[nH+]c32)cc1OC ZINC001300014606 1067371280 /nfs/dbraw/zinc/37/12/80/1067371280.db2.gz GFECRRSUCVAVJD-IBGZPJMESA-N 1 2 470.643 4.234 20 0 JIADLO COc1ccc(-c2nnc(N(C)OC)n2Cc2ccc(N3CCCCC3)[nH+]c2)cc1Br ZINC001300017799 1067380227 /nfs/dbraw/zinc/38/02/27/1067380227.db2.gz XLBHXQZBIJLUEA-UHFFFAOYSA-N 1 2 487.402 4.147 20 0 JIADLO COc1ccc(-c2nnc(N3C[C@@H](C)O[C@H](C(F)(F)F)C3)n2CCCNc2cccc[nH+]2)cc1 ZINC001300025355 1067395738 /nfs/dbraw/zinc/39/57/38/1067395738.db2.gz TUTOHSGVOKKUFW-APWZRJJASA-N 1 2 476.503 4.007 20 0 JIADLO C[C@@H](C(=O)N1CC[NH+](Cc2ccc(OC(F)(F)F)cc2)CC1)[C@@H]1OCCc2sccc21 ZINC001355324393 1067419859 /nfs/dbraw/zinc/41/98/59/1067419859.db2.gz AFIADZOQKBPCFH-QRWLVFNGSA-N 1 2 454.514 4.241 20 0 JIADLO COc1ccc(-c2nnc(N3CCC(NC(=O)C(C)C)CC3)n2CCCc2cccc(C)[nH+]2)cc1 ZINC001300043291 1067482605 /nfs/dbraw/zinc/48/26/05/1067482605.db2.gz DOLJMQVUUGLTBC-UHFFFAOYSA-N 1 2 476.625 4.031 20 0 JIADLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C[C@H]1c2ccccc2CN1C(=O)OC(C)(C)C ZINC001355847505 1067591196 /nfs/dbraw/zinc/59/11/96/1067591196.db2.gz CAUVLZQPUNWDHB-NRFANRHFSA-N 1 2 452.555 4.047 20 0 JIADLO COc1ccc(CC(=O)N2CC[NH+](Cc3ccc(-c4ccccc4F)s3)CC2)cc1OC ZINC001355899247 1067602177 /nfs/dbraw/zinc/60/21/77/1067602177.db2.gz SYTQSKXAUNLQME-UHFFFAOYSA-N 1 2 454.567 4.458 20 0 JIADLO COc1ccc(CCc2nnc(N(C)Cc3cc(Cl)ccn3)n2Cc2ccc(N(C)C)[nH+]c2)cc1 ZINC001300110241 1067708998 /nfs/dbraw/zinc/70/89/98/1067708998.db2.gz BXEMSELAUXYFGB-UHFFFAOYSA-N 1 2 492.027 4.266 20 0 JIADLO Cc1cccc(COc2cccc(CC(=O)Nc3ccccc3C(=O)N3CC[NH+](C)CC3)c2)c1 ZINC001352818690 1067741672 /nfs/dbraw/zinc/74/16/72/1067741672.db2.gz QMBVPTSTXAXFKL-UHFFFAOYSA-N 1 2 457.574 4.143 20 0 JIADLO O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)[C@@H](Oc1ccccc1Br)c1ccccc1 ZINC001356555186 1067777606 /nfs/dbraw/zinc/77/76/06/1067777606.db2.gz OWBIJEZOVYWVJP-GCJKJVERSA-N 1 2 452.352 4.359 20 0 JIADLO Cc1cc(Br)c(C(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1Br ZINC001356562396 1067779359 /nfs/dbraw/zinc/77/93/59/1067779359.db2.gz SBHRFTRLIBAYQZ-UHFFFAOYSA-N 1 2 452.190 4.478 20 0 JIADLO O=C(NCc1ccccc1Cn1cccn1)[C@@H](c1cccc(Br)c1)[NH+]1CCCC1 ZINC001356562166 1067779432 /nfs/dbraw/zinc/77/94/32/1067779432.db2.gz OXQUAEXRTVLWQD-JOCHJYFZSA-N 1 2 453.384 4.147 20 0 JIADLO Cc1ccc(NC(=O)C2CC[NH+](CC(=O)Nc3ccc(Cl)cc3C(F)(F)F)CC2)nc1 ZINC001473230062 1067810041 /nfs/dbraw/zinc/81/00/41/1067810041.db2.gz RFXNOBOAWBTUQB-UHFFFAOYSA-N 1 2 454.880 4.351 20 0 JIADLO COc1ccc(CCn2c(N(C)C[C@@H](c3cccs3)[NH+]3CCOCC3)nnc2C(C)(C)C)cc1 ZINC001300155653 1067811658 /nfs/dbraw/zinc/81/16/58/1067811658.db2.gz DWDDIMNFSCYLHR-QFIPXVFZSA-N 1 2 483.682 4.398 20 0 JIADLO Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)Cc2csc(NC(=O)c3ccccc3)n2)c(C)c1 ZINC001357329143 1067835111 /nfs/dbraw/zinc/83/51/11/1067835111.db2.gz AYPRTRNFTJPZTN-QFIPXVFZSA-N 1 2 459.575 4.309 20 0 JIADLO Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)CSc2nnc(-c3cccs3)n2C)c(C)c1 ZINC001357331441 1067835683 /nfs/dbraw/zinc/83/56/83/1067835683.db2.gz YQPSTUWDBIOTQT-GOSISDBHSA-N 1 2 452.609 4.007 20 0 JIADLO Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)[C@H]2CC(=O)N(Cc3ccccc3Cl)C2)c(C)c1 ZINC001357331417 1067835702 /nfs/dbraw/zinc/83/57/02/1067835702.db2.gz YDAPCVSUKUIRQH-NZQKXSOJSA-N 1 2 450.970 4.060 20 0 JIADLO COC(=O)CCSCc1cccc(NC(=O)N[C@H](Cc2[nH+]ccn2C)c2ccccc2)c1 ZINC001200214929 1067851214 /nfs/dbraw/zinc/85/12/14/1067851214.db2.gz MEUXTQJLDWTMTQ-OAQYLSRUSA-N 1 2 452.580 4.322 20 0 JIADLO CC(C)c1nc(C(=O)Nc2ccccc2C[NH+]2C[C@@H](C)O[C@H](C)C2)nn1-c1cccc(F)c1 ZINC001357518709 1067863182 /nfs/dbraw/zinc/86/31/82/1067863182.db2.gz GUEJBWZABTXHEY-QZTJIDSGSA-N 1 2 451.546 4.391 20 0 JIADLO Cc1ccccc1-c1nnc(N(C)Cc2cn(C)nc2C(F)(F)F)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001492558523 1067875800 /nfs/dbraw/zinc/87/58/00/1067875800.db2.gz XHQKASLHWAWVBM-UHFFFAOYSA-N 1 2 484.530 4.152 20 0 JIADLO O=C(NCc1cc[nH+]c(N2CCCC2)c1)c1c(Cl)ccc(I)c1F ZINC001357613448 1067877293 /nfs/dbraw/zinc/87/72/93/1067877293.db2.gz SJZNSMINNQIBDE-UHFFFAOYSA-N 1 2 459.690 4.009 20 0 JIADLO COc1ccc(C[NH+]2CCN(c3nnc(-c4ccc(C)o4)n3CC(C)(C)SC)CC2)cc1F ZINC001300229915 1067904436 /nfs/dbraw/zinc/90/44/36/1067904436.db2.gz AUYIDJJDALAQDT-UHFFFAOYSA-N 1 2 473.618 4.458 20 0 JIADLO C[NH+]1CCN(C(=O)c2ccccc2NC(=O)c2ccc(Oc3ccc(F)c(F)c3)cc2)CC1 ZINC001357828702 1067915313 /nfs/dbraw/zinc/91/53/13/1067915313.db2.gz KCAQEECWSAIBOV-UHFFFAOYSA-N 1 2 451.473 4.397 20 0 JIADLO COc1ccc(C[NH+]2CCN(c3nnc([C@H]4CCCOC4)n3CCSCC(C)C)CC2)cc1F ZINC001300231970 1067916942 /nfs/dbraw/zinc/91/69/42/1067916942.db2.gz HKRDACVKFWHKJY-NRFANRHFSA-N 1 2 491.677 4.031 20 0 JIADLO COc1ccc(F)cc1C[NH+]1CCN(c2nnc(C(C)(C)C)n2C[C@@H](OC)C(C)(C)C)CC1 ZINC001300245768 1067970926 /nfs/dbraw/zinc/97/09/26/1067970926.db2.gz ZUSLJJWKWKYBPI-OAQYLSRUSA-N 1 2 461.626 4.107 20 0 JIADLO CCCN(CC)C(=O)c1ccc(C(=O)N[C@H](c2ccc(Cl)cc2)[C@@H]2C[N@H+](C)CCO2)cc1 ZINC001358072419 1068009772 /nfs/dbraw/zinc/00/97/72/1068009772.db2.gz OGZSDMVCJBLTIQ-XZOQPEGZSA-N 1 2 458.002 4.014 20 0 JIADLO CCCN(CC)C(=O)c1ccc(C(=O)N[C@H](c2ccc(Cl)cc2)[C@@H]2C[N@@H+](C)CCO2)cc1 ZINC001358072419 1068009795 /nfs/dbraw/zinc/00/97/95/1068009795.db2.gz OGZSDMVCJBLTIQ-XZOQPEGZSA-N 1 2 458.002 4.014 20 0 JIADLO COc1ccc(-c2ncc(C(=O)N[C@@H](c3ccc(Cl)cc3)[C@H]3C[N@H+](C)CCO3)s2)cc1 ZINC001358073082 1068011333 /nfs/dbraw/zinc/01/13/33/1068011333.db2.gz SJQYVWOGKDMIGX-CTNGQTDRSA-N 1 2 457.983 4.274 20 0 JIADLO COc1ccc(-c2ncc(C(=O)N[C@@H](c3ccc(Cl)cc3)[C@H]3C[N@@H+](C)CCO3)s2)cc1 ZINC001358073082 1068011350 /nfs/dbraw/zinc/01/13/50/1068011350.db2.gz SJQYVWOGKDMIGX-CTNGQTDRSA-N 1 2 457.983 4.274 20 0 JIADLO O=C(Cc1ccccc1Br)N1CC[NH+](Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC001358124275 1068025547 /nfs/dbraw/zinc/02/55/47/1068025547.db2.gz JBLIIPPRWJUUKZ-UHFFFAOYSA-N 1 2 457.290 4.235 20 0 JIADLO Cc1ccccc1-c1nnc(N2CC[C@@H](CNC(=O)OC(C)(C)C)C2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001492564188 1068050689 /nfs/dbraw/zinc/05/06/89/1068050689.db2.gz ZPBSGJUGFVGEBU-NRFANRHFSA-N 1 2 491.640 4.114 20 0 JIADLO CC[C@H](C)[C@H](NC(=O)c1cccc(Cn2cc[nH+]c2)c1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC001358441020 1068092004 /nfs/dbraw/zinc/09/20/04/1068092004.db2.gz JBWXTTRUGXQPQP-CPJSRVTESA-N 1 2 459.594 4.315 20 0 JIADLO O=C(CSc1nnc(NCc2ccc(F)cc2)s1)Nc1nc(C[NH+]2CCCC2)cs1 ZINC000510215136 1068159394 /nfs/dbraw/zinc/15/93/94/1068159394.db2.gz HRJOLDBEGLGWQU-UHFFFAOYSA-N 1 2 464.617 4.072 20 0 JIADLO O=C(CCNC(=O)C1CCCCC1)N1CC[NH+](Cc2ccc(-c3ccccc3F)s2)CC1 ZINC001353538396 1068303221 /nfs/dbraw/zinc/30/32/21/1068303221.db2.gz KGJBAKSDBZCWPQ-UHFFFAOYSA-N 1 2 457.615 4.285 20 0 JIADLO COc1cccc(-c2nnc(N(C)CC(C)C)n2C[C@H](c2cccs2)[NH+]2CCOCC2)c1 ZINC001300343794 1068336758 /nfs/dbraw/zinc/33/67/58/1068336758.db2.gz QLGHJXWGXYYQGZ-OAQYLSRUSA-N 1 2 455.628 4.181 20 0 JIADLO CC(C)(C)OC(=O)N1CCc2ccc(NC(=O)NCc3cc[nH+]c(N4CCCC4)c3)cc2C1 ZINC001200384477 1068342879 /nfs/dbraw/zinc/34/28/79/1068342879.db2.gz ZILMXNOWJHNDMW-UHFFFAOYSA-N 1 2 451.571 4.297 20 0 JIADLO COc1cccc([C@@H](C)[NH+]2CCN(C(=O)Nc3nnc(Cc4ccccc4F)s3)CC2)c1 ZINC000524565140 1068352957 /nfs/dbraw/zinc/35/29/57/1068352957.db2.gz IXQZKIOUVSXWSW-MRXNPFEDSA-N 1 2 455.559 4.187 20 0 JIADLO Fc1ccc([C@H]([NH2+]Cc2cnc3cnccn23)c2ccccc2I)cc1 ZINC001200439611 1068554741 /nfs/dbraw/zinc/55/47/41/1068554741.db2.gz SMFTWBBYSDFLIK-FQEVSTJZSA-N 1 2 458.278 4.352 20 0 JIADLO COc1cccc(C=C2CCN(c3nnc(CC(C)(C)C)n3C[C@H](C)[NH+]3CCOCC3)CC2)c1 ZINC001300407549 1068579658 /nfs/dbraw/zinc/57/96/58/1068579658.db2.gz GNXPKMBUGQTNOT-NRFANRHFSA-N 1 2 467.658 4.280 20 0 JIADLO COc1cc(CCC(=O)NC[C@@H](c2ccc(SC)cc2)[N@@H+]2CCc3sccc3C2)on1 ZINC001353920401 1068755543 /nfs/dbraw/zinc/75/55/43/1068755543.db2.gz YMAZFBGNNDVWSC-FQEVSTJZSA-N 1 2 457.621 4.315 20 0 JIADLO COc1cc(CCC(=O)NC[C@@H](c2ccc(SC)cc2)[N@H+]2CCc3sccc3C2)on1 ZINC001353920401 1068755556 /nfs/dbraw/zinc/75/55/56/1068755556.db2.gz YMAZFBGNNDVWSC-FQEVSTJZSA-N 1 2 457.621 4.315 20 0 JIADLO Fc1ccccc1-n1cc(Br)c(-c2nc(-c3cccc(C[NH+]4CCOCC4)c3)no2)n1 ZINC001353962253 1068803013 /nfs/dbraw/zinc/80/30/13/1068803013.db2.gz BPKIOMKKZTXUBA-UHFFFAOYSA-N 1 2 484.329 4.323 20 0 JIADLO COc1ccccc1-c1nnc(N(CC(C)C)C(C)C)n1Cc1ccc(N2CCO[C@@H](C)C2)[nH+]c1 ZINC001300473709 1068818869 /nfs/dbraw/zinc/81/88/69/1068818869.db2.gz JXFYVAIOSZVHLE-NRFANRHFSA-N 1 2 478.641 4.493 20 0 JIADLO COc1cccc(CNC(=S)NC2CC[NH+](Cc3cc(F)cc(C(F)(F)F)c3)CC2)c1OC ZINC001200528333 1068827438 /nfs/dbraw/zinc/82/74/38/1068827438.db2.gz MKQXMSRYAGWMJZ-UHFFFAOYSA-N 1 2 485.547 4.490 20 0 JIADLO COc1cc(NC(=S)N2CC[C@@H]3C[N@H+](Cc4csc(C)n4)CCO[C@@H]3C2)c(OC)cc1Cl ZINC001200534682 1068843896 /nfs/dbraw/zinc/84/38/96/1068843896.db2.gz ASEKIPOBGVNKJA-QVKFZJNVSA-N 1 2 497.086 4.042 20 0 JIADLO COc1cc(NC(=S)N2CC[C@@H]3C[N@@H+](Cc4csc(C)n4)CCO[C@@H]3C2)c(OC)cc1Cl ZINC001200534682 1068843900 /nfs/dbraw/zinc/84/39/00/1068843900.db2.gz ASEKIPOBGVNKJA-QVKFZJNVSA-N 1 2 497.086 4.042 20 0 JIADLO CCOc1cc(C[N@@H+]2CC3(CCOCC3)[C@@H]2c2cnn(CC(C)C)c2)ccc1O[C@H](C)C(=O)N(C)C ZINC000849478639 1069048098 /nfs/dbraw/zinc/04/80/98/1069048098.db2.gz KRNARECEUJOWEZ-RLWLMLJZSA-N 1 2 498.668 4.147 20 0 JIADLO CCOc1cc(C[N@H+]2CC3(CCOCC3)[C@@H]2c2cnn(CC(C)C)c2)ccc1O[C@H](C)C(=O)N(C)C ZINC000849478639 1069048119 /nfs/dbraw/zinc/04/81/19/1069048119.db2.gz KRNARECEUJOWEZ-RLWLMLJZSA-N 1 2 498.668 4.147 20 0 JIADLO CC[C@@H](C(=O)NC[C@@H](c1ccc(SC)cc1)[N@@H+]1CCc2sccc2C1)N1CCCC1=O ZINC001354347074 1069128615 /nfs/dbraw/zinc/12/86/15/1069128615.db2.gz NAHXYPUMBJEBTE-SFTDATJTSA-N 1 2 457.665 4.087 20 0 JIADLO CC[C@@H](C(=O)NC[C@@H](c1ccc(SC)cc1)[N@H+]1CCc2sccc2C1)N1CCCC1=O ZINC001354347074 1069128624 /nfs/dbraw/zinc/12/86/24/1069128624.db2.gz NAHXYPUMBJEBTE-SFTDATJTSA-N 1 2 457.665 4.087 20 0 JIADLO CCN(CC)C(=O)CCC(=O)NC[C@@H](c1ccc(SC)cc1)[N@@H+]1CCc2sccc2C1 ZINC001354347613 1069129027 /nfs/dbraw/zinc/12/90/27/1069129027.db2.gz UGLSGQGTRIDSGY-NRFANRHFSA-N 1 2 459.681 4.334 20 0 JIADLO CCN(CC)C(=O)CCC(=O)NC[C@@H](c1ccc(SC)cc1)[N@H+]1CCc2sccc2C1 ZINC001354347613 1069129031 /nfs/dbraw/zinc/12/90/31/1069129031.db2.gz UGLSGQGTRIDSGY-NRFANRHFSA-N 1 2 459.681 4.334 20 0 JIADLO CC[C@H](C(=O)NCc1cc[nH+]c(N2CCN(c3ccc(F)cc3)CC2)c1)c1ccc(F)cc1 ZINC001354370648 1069146176 /nfs/dbraw/zinc/14/61/76/1069146176.db2.gz CLDPKYJTZOASNW-DEOSSOPVSA-N 1 2 450.533 4.496 20 0 JIADLO COc1ccccc1CN(C)c1nnc(-c2cc(Br)c[nH]2)n1Cc1c[nH+]ccc1OC ZINC001300591802 1069157714 /nfs/dbraw/zinc/15/77/14/1069157714.db2.gz MBVTXBBKWCQLQY-UHFFFAOYSA-N 1 2 483.370 4.133 20 0 JIADLO C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)c1ccc(Oc2ccc(Br)cc2)c(F)c1 ZINC001300610239 1069213691 /nfs/dbraw/zinc/21/36/91/1069213691.db2.gz FVUDCZGDVHLUJJ-CABCVRRESA-N 1 2 451.336 4.220 20 0 JIADLO C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)c1ccc(Oc2ccc(Br)cc2)c(F)c1 ZINC001300610239 1069213709 /nfs/dbraw/zinc/21/37/09/1069213709.db2.gz FVUDCZGDVHLUJJ-CABCVRRESA-N 1 2 451.336 4.220 20 0 JIADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)[C@@H](OC)c1ccc(Br)s1 ZINC001354463918 1069238997 /nfs/dbraw/zinc/23/89/97/1069238997.db2.gz BMMMFVRQIBFITD-IBGZPJMESA-N 1 2 452.418 4.358 20 0 JIADLO CC(C)c1nccc([C@@H]2C[C@H]3CCN(c4ncnc5c4C[N@H+](Cc4ccccc4)CC5)C[C@@H]3O2)n1 ZINC001164639774 719260030 /nfs/dbraw/zinc/26/00/30/719260030.db2.gz RKLUWTZSCUWTDK-NYMACZPPSA-N 1 2 470.621 4.305 20 0 JIADLO CC(C)c1nccc([C@@H]2C[C@H]3CCN(c4ncnc5c4C[N@@H+](Cc4ccccc4)CC5)C[C@@H]3O2)n1 ZINC001164639774 719260035 /nfs/dbraw/zinc/26/00/35/719260035.db2.gz RKLUWTZSCUWTDK-NYMACZPPSA-N 1 2 470.621 4.305 20 0 JIADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1cc(C(=O)OC)cc(Cl)n1)CC2 ZINC001164664189 719346233 /nfs/dbraw/zinc/34/62/33/719346233.db2.gz TVQPMYQGRWCGFC-UHFFFAOYSA-N 1 2 465.985 4.216 20 0 JIADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1cc(C(=O)OC)cc(Cl)n1)CC2 ZINC001164664189 719346235 /nfs/dbraw/zinc/34/62/35/719346235.db2.gz TVQPMYQGRWCGFC-UHFFFAOYSA-N 1 2 465.985 4.216 20 0 JIADLO CCOC(=O)c1cc2ccnc(N3CCC4(CC3)c3ncc(-c5ccccc5)n3CC[N@H+]4CC)c2[nH]1 ZINC001164662813 719349229 /nfs/dbraw/zinc/34/92/29/719349229.db2.gz AGAHOMOPTXJCNY-UHFFFAOYSA-N 1 2 484.604 4.434 20 0 JIADLO CCOC(=O)c1cc2ccnc(N3CCC4(CC3)c3ncc(-c5ccccc5)n3CC[N@@H+]4CC)c2[nH]1 ZINC001164662813 719349230 /nfs/dbraw/zinc/34/92/30/719349230.db2.gz AGAHOMOPTXJCNY-UHFFFAOYSA-N 1 2 484.604 4.434 20 0 JIADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nc(Cl)nc3c1SCC3)CC2 ZINC001164662887 719349360 /nfs/dbraw/zinc/34/93/60/719349360.db2.gz APQFUBCWORDZTE-UHFFFAOYSA-N 1 2 467.042 4.473 20 0 JIADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nc(Cl)nc3c1SCC3)CC2 ZINC001164662887 719349361 /nfs/dbraw/zinc/34/93/61/719349361.db2.gz APQFUBCWORDZTE-UHFFFAOYSA-N 1 2 467.042 4.473 20 0 JIADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ncc3cc(OC)ccc3n1)CC2 ZINC001164659955 719351194 /nfs/dbraw/zinc/35/11/94/719351194.db2.gz SWGOIOOOLOYUEP-UHFFFAOYSA-N 1 2 454.578 4.333 20 0 JIADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ncc3cc(OC)ccc3n1)CC2 ZINC001164659955 719351197 /nfs/dbraw/zinc/35/11/97/719351197.db2.gz SWGOIOOOLOYUEP-UHFFFAOYSA-N 1 2 454.578 4.333 20 0 JIADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nc(Cl)nc3c(Cl)ncnc31)CC2 ZINC001164658040 719355408 /nfs/dbraw/zinc/35/54/08/719355408.db2.gz BXRBGIVQWZDCQL-UHFFFAOYSA-N 1 2 495.418 4.421 20 0 JIADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nc(Cl)nc3c(Cl)ncnc31)CC2 ZINC001164658040 719355410 /nfs/dbraw/zinc/35/54/10/719355410.db2.gz BXRBGIVQWZDCQL-UHFFFAOYSA-N 1 2 495.418 4.421 20 0 JIADLO O=C(Nc1ccccc1)c1ccnc(N2CCC3(CC2)COCC[N@H+]3Cc2ccc(F)cc2)c1 ZINC001164673373 719510040 /nfs/dbraw/zinc/51/00/40/719510040.db2.gz QPIDNXZYXFLMHT-UHFFFAOYSA-N 1 2 460.553 4.344 20 0 JIADLO O=C(Nc1ccccc1)c1ccnc(N2CCC3(CC2)COCC[N@@H+]3Cc2ccc(F)cc2)c1 ZINC001164673373 719510050 /nfs/dbraw/zinc/51/00/50/719510050.db2.gz QPIDNXZYXFLMHT-UHFFFAOYSA-N 1 2 460.553 4.344 20 0 JIADLO CCOC(=O)c1cnc(Cl)c(C)c1N1CCC2(CC1)COCC[N@@H+]2Cc1ccc(F)cc1 ZINC001164673388 719512245 /nfs/dbraw/zinc/51/22/45/719512245.db2.gz RJQJTWVCELCVCT-UHFFFAOYSA-N 1 2 461.965 4.231 20 0 JIADLO CCOC(=O)c1cnc(Cl)c(C)c1N1CCC2(CC1)COCC[N@H+]2Cc1ccc(F)cc1 ZINC001164673388 719512251 /nfs/dbraw/zinc/51/22/51/719512251.db2.gz RJQJTWVCELCVCT-UHFFFAOYSA-N 1 2 461.965 4.231 20 0 JIADLO CC(C)(C)NC(=O)c1ccc(Cl)nc1N1CCC2(CC1)COCC[N@@H+]2Cc1ccc(F)cc1 ZINC001164670656 719512347 /nfs/dbraw/zinc/51/23/47/719512347.db2.gz DUQDABVSNVOKQS-UHFFFAOYSA-N 1 2 475.008 4.274 20 0 JIADLO CC(C)(C)NC(=O)c1ccc(Cl)nc1N1CCC2(CC1)COCC[N@H+]2Cc1ccc(F)cc1 ZINC001164670656 719512358 /nfs/dbraw/zinc/51/23/58/719512358.db2.gz DUQDABVSNVOKQS-UHFFFAOYSA-N 1 2 475.008 4.274 20 0 JIADLO Fc1ccc(C[N@@H+]2CCOCC23CCN(c2nc4ccccc4nc2N2CCCC2)CC3)cc1 ZINC001164672669 719521445 /nfs/dbraw/zinc/52/14/45/719521445.db2.gz MMRPESWAMVRSKB-UHFFFAOYSA-N 1 2 461.585 4.241 20 0 JIADLO Fc1ccc(C[N@H+]2CCOCC23CCN(c2nc4ccccc4nc2N2CCCC2)CC3)cc1 ZINC001164672669 719521450 /nfs/dbraw/zinc/52/14/50/719521450.db2.gz MMRPESWAMVRSKB-UHFFFAOYSA-N 1 2 461.585 4.241 20 0 JIADLO FC(F)(c1ccc2nc(Cl)nc(Cl)c2c1)N1CCc2onc(Cn3cc[nH+]c3)c2C1 ZINC001164676470 719564753 /nfs/dbraw/zinc/56/47/53/719564753.db2.gz CCRVVXXELUIGRO-UHFFFAOYSA-N 1 2 451.264 4.277 20 0 JIADLO COc1ccc(-c2cc(C(F)(F)N3CCc4onc(Cn5cc[nH+]c5)c4C3)c(Cl)nn2)cc1 ZINC001164676368 719568154 /nfs/dbraw/zinc/56/81/54/719568154.db2.gz COIYVLSPZYKGJA-UHFFFAOYSA-N 1 2 472.883 4.146 20 0 JIADLO Cc1cc(C(F)(F)N2CCC3(CCn4c(-c5ccc(C(N)=O)cc5)c[nH+]c43)CC2)cc(Cl)n1 ZINC001164698759 719829927 /nfs/dbraw/zinc/82/99/27/719829927.db2.gz UGGUBWSXCAQQBL-UHFFFAOYSA-N 1 2 471.939 4.493 20 0 JIADLO NC(=O)c1ccc(-c2c[nH+]c3n2CCC32CCN(C(F)(F)c3ccc(F)c(Cl)n3)CC2)cc1 ZINC001164695532 719830000 /nfs/dbraw/zinc/83/00/00/719830000.db2.gz DRILWEQOSFEIBL-UHFFFAOYSA-N 1 2 475.902 4.323 20 0 JIADLO COc1cc(C(F)(F)N2CCC3(CCn4c(-c5ccc(C(N)=O)cc5)c[nH+]c43)CC2)cc(Cl)n1 ZINC001164695812 719830006 /nfs/dbraw/zinc/83/00/06/719830006.db2.gz FTUVSPJYRZRQCN-UHFFFAOYSA-N 1 2 487.938 4.193 20 0 JIADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1cc(C)nc(-c2ccc(-c3ccccc3)cc2)n1 ZINC001164708014 719874161 /nfs/dbraw/zinc/87/41/61/719874161.db2.gz XFSLPYOJLVDLHV-SVEHJYQDSA-N 1 2 486.616 4.352 20 0 JIADLO CC(=O)NC[C@H]1c2[nH+]cn(C(C)C)c2CCN1C(F)(F)c1cccc(-c2ccc(Cl)nn2)c1 ZINC001164725504 720316003 /nfs/dbraw/zinc/31/60/03/720316003.db2.gz WIUCFYHNUUBVFJ-FQEVSTJZSA-N 1 2 474.943 4.359 20 0 JIADLO CC(=O)NC[C@@H]1c2[nH+]cn(C(C)C)c2CCN1C(F)(F)c1cc(-c2cccs2)nnc1Cl ZINC001164721372 720316298 /nfs/dbraw/zinc/31/62/98/720316298.db2.gz GPYHMEPBLDCHGN-QGZVFWFLSA-N 1 2 480.972 4.421 20 0 JIADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4nccc5cc(F)c(Cl)cc54)CC3)C2=O)cs1 ZINC001164824258 720384108 /nfs/dbraw/zinc/38/41/08/720384108.db2.gz QPLBUKUJGYJDSV-UHFFFAOYSA-N 1 2 474.005 4.105 20 0 JIADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4nccc5cc(F)c(Cl)cc54)CC3)C2=O)cs1 ZINC001164824258 720384117 /nfs/dbraw/zinc/38/41/17/720384117.db2.gz QPLBUKUJGYJDSV-UHFFFAOYSA-N 1 2 474.005 4.105 20 0 JIADLO CCOC(=O)c1sc2nc(C[NH+]3CCCCC3)nc(N3CC[C@H](O)[C@H]3Cc3ccccc3)c2c1C ZINC001164833533 720492416 /nfs/dbraw/zinc/49/24/16/720492416.db2.gz PRKHUUAACAHFJT-RTWAWAEBSA-N 1 2 494.661 4.345 20 0 JIADLO CCOC(=O)c1sc2nc(C[NH+]3CCCCC3)nc(N3C[C@H]4CCC[C@@]4(COC)C3)c2c1C ZINC001164848701 720792269 /nfs/dbraw/zinc/79/22/69/720792269.db2.gz QOBMPNIWXOWBBK-CJAUYULYSA-N 1 2 472.655 4.415 20 0 JIADLO F[C@@H](Oc1cccc(-c2ccc(Cl)nn2)c1)N1CCC2(CC1)CN(c1cccc[nH+]1)CCO2 ZINC001164875154 721219422 /nfs/dbraw/zinc/21/94/22/721219422.db2.gz WZTHMCSXEQDYPO-HSZRJFAPSA-N 1 2 469.948 4.195 20 0 JIADLO O=C(c1cccnc1N1C[C@@H]2CCC[C@H](OCC3CC3)[C@@H]2C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC001164899305 721498432 /nfs/dbraw/zinc/49/84/32/721498432.db2.gz JPYVOVRRRDLRKR-OIKPOIBNSA-N 1 2 474.649 4.071 20 0 JIADLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(C(F)(F)c1ccc(-c3cc(Cl)ncn3)cc1)C2 ZINC001165011739 721698944 /nfs/dbraw/zinc/69/89/44/721698944.db2.gz XFQFKWKDKQZNCO-UHFFFAOYSA-N 1 2 461.948 4.184 20 0 JIADLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(C(F)(F)c1ccc(-c3cc(Cl)ncn3)cc1)C2 ZINC001165011739 721698948 /nfs/dbraw/zinc/69/89/48/721698948.db2.gz XFQFKWKDKQZNCO-UHFFFAOYSA-N 1 2 461.948 4.184 20 0 JIADLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(c1cnc(Cl)nc1Oc1cccc(Cl)c1)C2 ZINC001165010551 721721217 /nfs/dbraw/zinc/72/12/17/721721217.db2.gz IUEXPNWPMLWLCY-UHFFFAOYSA-N 1 2 462.385 4.418 20 0 JIADLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(c1cnc(Cl)nc1Oc1cccc(Cl)c1)C2 ZINC001165010551 721721224 /nfs/dbraw/zinc/72/12/24/721721224.db2.gz IUEXPNWPMLWLCY-UHFFFAOYSA-N 1 2 462.385 4.418 20 0 JIADLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(C(F)(F)c1cc(-c3ccc(F)cc3)nnc1Cl)C2 ZINC001165009750 721721833 /nfs/dbraw/zinc/72/18/33/721721833.db2.gz ANUOGEZSNZJJCJ-UHFFFAOYSA-N 1 2 479.938 4.323 20 0 JIADLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(C(F)(F)c1cc(-c3ccc(F)cc3)nnc1Cl)C2 ZINC001165009750 721721841 /nfs/dbraw/zinc/72/18/41/721721841.db2.gz ANUOGEZSNZJJCJ-UHFFFAOYSA-N 1 2 479.938 4.323 20 0 JIADLO c1ccc(-c2cc(N3CCO[C@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)nc3ccccc32)cc1 ZINC001164914996 721793234 /nfs/dbraw/zinc/79/32/34/721793234.db2.gz SSTSSCQJKDJYIL-GDLZYMKVSA-N 1 2 466.585 4.405 20 0 JIADLO c1ccc(-c2cc(N3CCO[C@]4(C3)COCC[N@H+](Cc3cccnc3)C4)nc3ccccc32)cc1 ZINC001164914996 721793236 /nfs/dbraw/zinc/79/32/36/721793236.db2.gz SSTSSCQJKDJYIL-GDLZYMKVSA-N 1 2 466.585 4.405 20 0 JIADLO COc1ccc(-c2nc3ccc(F)cc3c(N3CCC4(CC3)c3[nH+]cc(C)n3CCN4C)n2)cc1 ZINC001164916319 721814077 /nfs/dbraw/zinc/81/40/77/721814077.db2.gz CATPAZURXCUAJG-UHFFFAOYSA-N 1 2 472.568 4.391 20 0 JIADLO Fc1cccc(C[N@@H+]2CC[C@@]23CCCN(c2c(Cl)nc(N4CCOCC4)nc2Cl)C3)c1 ZINC001164994437 722202533 /nfs/dbraw/zinc/20/25/33/722202533.db2.gz HBRRMWUDILJHTI-JOCHJYFZSA-N 1 2 466.388 4.004 20 0 JIADLO Fc1cccc(C[N@H+]2CC[C@@]23CCCN(c2c(Cl)nc(N4CCOCC4)nc2Cl)C3)c1 ZINC001164994437 722202538 /nfs/dbraw/zinc/20/25/38/722202538.db2.gz HBRRMWUDILJHTI-JOCHJYFZSA-N 1 2 466.388 4.004 20 0 JIADLO Fc1cccc(C[N@@H+]2CC[C@]23CCCN(c2c(Cl)nc(N4CCOCC4)nc2Cl)C3)c1 ZINC001164994438 722202747 /nfs/dbraw/zinc/20/27/47/722202747.db2.gz HBRRMWUDILJHTI-QFIPXVFZSA-N 1 2 466.388 4.004 20 0 JIADLO Fc1cccc(C[N@H+]2CC[C@]23CCCN(c2c(Cl)nc(N4CCOCC4)nc2Cl)C3)c1 ZINC001164994438 722202750 /nfs/dbraw/zinc/20/27/50/722202750.db2.gz HBRRMWUDILJHTI-QFIPXVFZSA-N 1 2 466.388 4.004 20 0 JIADLO CC(C)(C)C(=O)NC[C@@H]1CCCN(c2nnc(C(C)(C)C)n2Cc2ccc(N3CCCCC3)[nH+]c2)C1 ZINC001359489741 1069685323 /nfs/dbraw/zinc/68/53/23/1069685323.db2.gz INPOEOKNEAIIGV-NRFANRHFSA-N 1 2 495.716 4.388 20 0 JIADLO CC(C)(C)[C@@H]1OCC[C@H]1c1nnc(N2CC[NH+](Cc3cccc(Cl)c3)CC2)n1CCCCCO ZINC001359593000 1070035700 /nfs/dbraw/zinc/03/57/00/1070035700.db2.gz YQIHKQVRNKPALW-DHIUTWEWSA-N 1 2 490.092 4.335 20 0 JIADLO CC(C)[C@H](Cn1c(CC(C)(C)C)nnc1N1CCC(C(=O)c2cccs2)CC1)[NH+]1CCOCC1 ZINC001359662764 1070284831 /nfs/dbraw/zinc/28/48/31/1070284831.db2.gz GAFFNVKQDBNAJL-NRFANRHFSA-N 1 2 487.714 4.384 20 0 JIADLO CC(C)c1nnc(N(C)C[C@H](c2cccs2)[NH+]2CCOCC2)n1CCN(C)c1ccccc1 ZINC001359679868 1070335624 /nfs/dbraw/zinc/33/56/24/1070335624.db2.gz WVRZMGGAOCFIOK-JOCHJYFZSA-N 1 2 468.671 4.109 20 0 JIADLO CC(C)c1nnc(N2C[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C2)n1C[C@@H](c1c(F)cccc1F)[NH+](C)C ZINC001359690032 1070346725 /nfs/dbraw/zinc/34/67/25/1070346725.db2.gz XSWIAQCFMZRRST-VDGAXYAQSA-N 1 2 492.615 4.332 20 0 JIADLO COc1ccc(F)cc1C[NH+]1CCN(c2nnc([C@@H]3CCCCO3)n2CCSC(C)C)CC1 ZINC001315515681 1064463187 /nfs/dbraw/zinc/46/31/87/1064463187.db2.gz QMJKGPUZPQSVNH-QFIPXVFZSA-N 1 2 477.650 4.131 20 0 JIADLO COc1cccc(-c2nnc(N(C)CC3COC(C)(C)OC3)n2CCCc2cccc(C)[nH+]2)c1 ZINC001315555113 1064574104 /nfs/dbraw/zinc/57/41/04/1064574104.db2.gz DWGLLAZMUIFDPA-UHFFFAOYSA-N 1 2 465.598 4.125 20 0 JIADLO COc1ccccc1O[C@@H](C)Cn1c(CC(C)C)nnc1N1CC[NH+](Cc2cnc(C)s2)CC1 ZINC001315648845 1064824395 /nfs/dbraw/zinc/82/43/95/1064824395.db2.gz QJISCRJPGKDDGU-IBGZPJMESA-N 1 2 484.670 4.040 20 0 JIADLO COc1ccccc1SCc1nnc(N2CCCC[C@H](SC)C2)n1C[C@H](C)[NH+]1CCOCC1 ZINC001315666080 1064881176 /nfs/dbraw/zinc/88/11/76/1064881176.db2.gz VRYFEEXNNXQFLP-PMACEKPBSA-N 1 2 491.727 4.022 20 0 JIADLO COc1cc[nH+]cc1Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCC=C(Br)C1 ZINC001315671828 1064902578 /nfs/dbraw/zinc/90/25/78/1064902578.db2.gz GYFMBBKTYQPVQQ-UHFFFAOYSA-N 1 2 484.398 4.415 20 0 JIADLO COc1cc[nH+]cc1Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC(C)CC1 ZINC001315672380 1064903350 /nfs/dbraw/zinc/90/33/50/1064903350.db2.gz QHCWAGFLDXDQMF-IBGZPJMESA-N 1 2 470.618 4.081 20 0 JIADLO COc1cc[nH+]cc1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)Cc1ccc(OC)c(OC)c1 ZINC001315673548 1064906847 /nfs/dbraw/zinc/90/68/47/1064906847.db2.gz GFYOXGJVXDPJOT-HYBUGGRVSA-N 1 2 495.624 4.302 20 0 JIADLO COCC(C)(C)CCCn1c(-c2ccc[nH]2)nnc1N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC001315758715 1065065085 /nfs/dbraw/zinc/06/50/85/1065065085.db2.gz LUNZFKHQRFSYTP-UHFFFAOYSA-N 1 2 480.661 4.274 20 0 JIADLO COCC(C)(C)Cn1c(Cc2ccsc2)nnc1N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC001315769834 1065089572 /nfs/dbraw/zinc/08/95/72/1065089572.db2.gz NAHKQJWIRPBAFD-UHFFFAOYSA-N 1 2 483.686 4.151 20 0 JIADLO COCC[C@@H]1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@@H](c2c(F)cccc2F)[NH+](C)C)C1 ZINC001316000416 1065583223 /nfs/dbraw/zinc/58/32/23/1065583223.db2.gz VWIFLTQSSRYFOW-JXFKEZNVSA-N 1 2 490.986 4.437 20 0 JIADLO COCCCCCn1c(-c2cccn2C)nnc1N1CC[NH+]([C@@H](C)c2ccc(F)cc2F)CC1 ZINC001316007973 1065597777 /nfs/dbraw/zinc/59/77/77/1065597777.db2.gz RUMVPEGWFWXSJF-IBGZPJMESA-N 1 2 472.584 4.262 20 0 JIADLO COCCN(C)c1nnc(COc2cc(C)cc(C)c2)n1Cc1ccc(N2CCC(C)CC2)[nH+]c1 ZINC001316061843 1065698959 /nfs/dbraw/zinc/69/89/59/1065698959.db2.gz SOLUQPIHGNAXMO-UHFFFAOYSA-N 1 2 478.641 4.236 20 0 JIADLO COCCN(c1nnc(-c2ccc(OC)cc2)n1Cc1ccc(N(C)C)[nH+]c1)[C@H]1CC[C@H](C)C1 ZINC001316075637 1065714927 /nfs/dbraw/zinc/71/49/27/1065714927.db2.gz CYPYFFFDINRGGO-UGKGYDQZSA-N 1 2 464.614 4.104 20 0 JIADLO CSC(C)(C)Cn1c(COc2ccc(C)cc2)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC001316370692 1066118784 /nfs/dbraw/zinc/11/87/84/1066118784.db2.gz FUESSWSOIQQKKW-UHFFFAOYSA-N 1 2 452.628 4.029 20 0 JIADLO CS[C@@H](C)Cn1c(COc2cc(C)ccc2C(C)C)nnc1N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC001316388654 1066160972 /nfs/dbraw/zinc/16/09/72/1066160972.db2.gz SVAACQLJOPSXNG-FQEVSTJZSA-N 1 2 495.697 4.465 20 0 JIADLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)c3cnc4scc(-c5ccccc5)n4c3=O)n2)C1 ZINC001325684425 1066261743 /nfs/dbraw/zinc/26/17/43/1066261743.db2.gz MNYFTCYIDLQLTO-OAHLLOKOSA-N 1 2 465.604 4.364 20 0 JIADLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)c3cnc4scc(-c5ccccc5)n4c3=O)n2)C1 ZINC001325684425 1066261754 /nfs/dbraw/zinc/26/17/54/1066261754.db2.gz MNYFTCYIDLQLTO-OAHLLOKOSA-N 1 2 465.604 4.364 20 0 JIADLO CC(C)(C)NS(=O)(=O)Cc1cccc(C(=O)Nc2ccc3nc(C[NH+]4CCCCC4)[nH]c3c2)c1 ZINC001325969204 1066277708 /nfs/dbraw/zinc/27/77/08/1066277708.db2.gz XVRXVNMCYLNEGB-UHFFFAOYSA-N 1 2 483.638 4.019 20 0 JIADLO CSCC[C@H](C)N(C)c1nnc(-c2ccc(C)o2)n1C[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC001316444503 1066311353 /nfs/dbraw/zinc/31/13/53/1066311353.db2.gz KWUHLSAYLUQDBV-SIKLNZKXSA-N 1 2 469.655 4.498 20 0 JIADLO CSCC[C@@H](C)N(C)c1nnc(CC2CCCC2)n1Cc1ccc(N2CCO[C@H](C)C2)[nH+]c1 ZINC001316448202 1066322968 /nfs/dbraw/zinc/32/29/68/1066322968.db2.gz APYJUFAKIRJRDO-WOJBJXKFSA-N 1 2 472.703 4.257 20 0 JIADLO CSCCCCCn1c(-c2ccccc2F)nnc1N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC001316453432 1066338169 /nfs/dbraw/zinc/33/81/69/1066338169.db2.gz HDLPVHHISOXWEM-UHFFFAOYSA-N 1 2 455.607 4.043 20 0 JIADLO Cc1cccc(CCCn2c(-c3ccc[nH]3)nnc2N2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)[nH+]1 ZINC001492525575 1066406141 /nfs/dbraw/zinc/40/61/41/1066406141.db2.gz DQXLKTFZOXAAEC-IBGZPJMESA-N 1 2 465.602 4.055 20 0 JIADLO Cc1cccc(CCCn2c(-c3cnccn3)nnc2N(C)CCOc2cccc(Cl)c2)[nH+]1 ZINC001492526044 1066411215 /nfs/dbraw/zinc/41/12/15/1066411215.db2.gz LXUFGHLTOBMNBC-UHFFFAOYSA-N 1 2 463.973 4.240 20 0 JIADLO FC(F)(Br)Cn1c(-c2ccc[nH]2)nnc1N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC001316509637 1066491711 /nfs/dbraw/zinc/49/17/11/1066491711.db2.gz ZKWIINYICVYMTJ-UHFFFAOYSA-N 1 2 485.764 4.237 20 0 JIADLO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)NCc2ccc(-n3cnc4ccccc43)nc2)C[C@@H](C)O1 ZINC001338029266 1066526485 /nfs/dbraw/zinc/52/64/85/1066526485.db2.gz XVPSEPOGVORZSU-WOJBJXKFSA-N 1 2 470.577 4.351 20 0 JIADLO O=C(CCc1nc2sc3c(c2c(=O)[nH]1)CCC3)Nc1ccc2nc(C[NH+]3CCCCC3)[nH]c2c1 ZINC001338429060 1066553773 /nfs/dbraw/zinc/55/37/73/1066553773.db2.gz KBKGOYNEJIGOCE-UHFFFAOYSA-N 1 2 476.606 4.319 20 0 JIADLO C[C@@H]1CCCN(C(=O)CCNC(=O)NCc2ccccc2-c2ccc(Cn3cc[nH+]c3)cc2)C1 ZINC001339733079 1066578477 /nfs/dbraw/zinc/57/84/77/1066578477.db2.gz KZSBUVROVXFBBD-OAQYLSRUSA-N 1 2 459.594 4.046 20 0 JIADLO OCCCCCCn1c(-c2ccc(Br)s2)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC001316587310 1066612621 /nfs/dbraw/zinc/61/26/21/1066612621.db2.gz IVTGBFVWRGVWDC-UHFFFAOYSA-N 1 2 491.459 4.043 20 0 JIADLO C[C@@]1(c2ccccc2Br)NC(=O)N(C[NH+]2CCC(c3nc4ccccc4o3)CC2)C1=O ZINC001317702564 1066636735 /nfs/dbraw/zinc/63/67/35/1066636735.db2.gz JVXIHKLNHRPQTA-QHCPKHFHSA-N 1 2 483.366 4.194 20 0 JIADLO O=C(NC[C@H]1C[N@H+](Cc2ccccc2)CCO1)[C@@H](Oc1ccc(Cl)cc1)c1ccccc1 ZINC001347776337 1066697693 /nfs/dbraw/zinc/69/76/93/1066697693.db2.gz KCKRGTWXSPBBKF-DQEYMECFSA-N 1 2 450.966 4.477 20 0 JIADLO O=C(NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1)[C@@H](Oc1ccc(Cl)cc1)c1ccccc1 ZINC001347776337 1066697697 /nfs/dbraw/zinc/69/76/97/1066697697.db2.gz KCKRGTWXSPBBKF-DQEYMECFSA-N 1 2 450.966 4.477 20 0 JIADLO O=C(NC[C@H]1C[N@H+](Cc2ccccc2)CCO1)C1(c2cccc(Br)c2)CCCC1 ZINC001347777532 1066698337 /nfs/dbraw/zinc/69/83/37/1066698337.db2.gz VIQRXZFKAGOOIM-QFIPXVFZSA-N 1 2 457.412 4.278 20 0 JIADLO O=C(NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1)C1(c2cccc(Br)c2)CCCC1 ZINC001347777532 1066698343 /nfs/dbraw/zinc/69/83/43/1066698343.db2.gz VIQRXZFKAGOOIM-QFIPXVFZSA-N 1 2 457.412 4.278 20 0 JIADLO CN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)[C@@H](c2cccc(Cl)c2)[NH+](C)C)c1 ZINC001348283076 1066733498 /nfs/dbraw/zinc/73/34/98/1066733498.db2.gz PDZSMMNZHJVENE-JOCHJYFZSA-N 1 2 457.983 4.407 20 0 JIADLO O=C(NCc1cc[nH+]c(N2CCN(c3ccc(F)cc3)CC2)c1)N1CC[C@@H]2CCCC[C@@H]2C1 ZINC001317868447 1066744195 /nfs/dbraw/zinc/74/41/95/1066744195.db2.gz SATYIONEONZVDP-FCHUYYIVSA-N 1 2 451.590 4.269 20 0 JIADLO CC1CCN(C(=O)C2CC[NH+](CC(=O)N(CC(F)(F)F)c3ccc(Cl)cc3)CC2)CC1 ZINC001317924906 1066789547 /nfs/dbraw/zinc/78/95/47/1066789547.db2.gz XRECHGXMYSYEAZ-UHFFFAOYSA-N 1 2 459.940 4.206 20 0 JIADLO CCOC(=O)c1sc2nc(C[NH+](C)C)nc(N3CCC[C@@H](c4nc5ccccc5[nH]4)C3)c2c1C ZINC001318002751 1066845242 /nfs/dbraw/zinc/84/52/42/1066845242.db2.gz ZALIAYQUTLUPKP-MRXNPFEDSA-N 1 2 478.622 4.498 20 0 JIADLO CC(C)(C)OC(=O)NCC[N@H+](CC(=O)NC[C@@H]1CCCc2ccccc21)Cc1ccccc1 ZINC001349871052 1066889730 /nfs/dbraw/zinc/88/97/30/1066889730.db2.gz FSMYYMBYDPZHHV-QHCPKHFHSA-N 1 2 451.611 4.250 20 0 JIADLO CC(C)(C)OC(=O)NCC[N@@H+](CC(=O)NC[C@@H]1CCCc2ccccc21)Cc1ccccc1 ZINC001349871052 1066889733 /nfs/dbraw/zinc/88/97/33/1066889733.db2.gz FSMYYMBYDPZHHV-QHCPKHFHSA-N 1 2 451.611 4.250 20 0 JIADLO O=C(COCc1cc[nH]c(=O)c1)N1CC[NH+](Cc2ccc(-c3cccc(Cl)c3)s2)CC1 ZINC001349944661 1066899308 /nfs/dbraw/zinc/89/93/08/1066899308.db2.gz KWQFSRJWIKXMJS-UHFFFAOYSA-N 1 2 457.983 4.030 20 0 JIADLO CCOc1ccccc1CN(CCCn1cc[nH+]c1)C(=O)N[C@@H]1CCCN(C(=O)c2ccccc2)C1 ZINC001318155501 1066928222 /nfs/dbraw/zinc/92/82/22/1066928222.db2.gz JRESWAQUMJFEQA-RUZDIDTESA-N 1 2 489.620 4.189 20 0 JIADLO CCOC(=O)c1ccc(C(=O)N2CC[NH+](Cc3ccc(-c4cccc(F)c4)s3)CC2)nc1 ZINC001350237034 1066935333 /nfs/dbraw/zinc/93/53/33/1066935333.db2.gz IRTRVGFJMGHAHF-UHFFFAOYSA-N 1 2 453.539 4.084 20 0 JIADLO Cc1cccc(C2N=NC(=S)N2CC(=O)Nc2ccc3nc(C[NH+]4CCCCC4)[nH]c3c2)c1 ZINC001318261932 1066989214 /nfs/dbraw/zinc/98/92/14/1066989214.db2.gz ICMTWWXGRZWZHW-UHFFFAOYSA-N 1 2 461.595 4.043 20 0 JIADLO O=C(C[NH+]1CCC([C@H]2C(=O)Nc3ccccc32)CC1)N1N=C(c2ccco2)C[C@H]1c1cccs1 ZINC001318338253 1067022731 /nfs/dbraw/zinc/02/27/31/1067022731.db2.gz OHOYZNWKNZYWML-SQJMNOBHSA-N 1 2 474.586 4.467 20 0 JIADLO COc1cc[nH+]cc1Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC(Cl)=C(Cl)C1 ZINC001300687571 1067030793 /nfs/dbraw/zinc/03/07/93/1067030793.db2.gz PUDDBJPLVYXCLC-UHFFFAOYSA-N 1 2 487.391 4.498 20 0 JIADLO COc1cc[nH+]cc1Cn1c(-c2ccc(OC)c(OC)c2)nnc1N(C)[C@@H]1CCC[C@@H](C)C1 ZINC001300693183 1067043722 /nfs/dbraw/zinc/04/37/22/1067043722.db2.gz QIYHGYVEALDORE-YLJYHZDGSA-N 1 2 451.571 4.429 20 0 JIADLO COc1cc[nH+]cc1Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC(OC(C)(C)C)CC1 ZINC001300693384 1067043887 /nfs/dbraw/zinc/04/38/87/1067043887.db2.gz FORKBFXLQFEZFF-UHFFFAOYSA-N 1 2 489.418 4.272 20 0 JIADLO COc1cc[nH+]cc1Cn1c(COc2ccc(Br)cc2)nnc1N1CCC[C@H]1C ZINC001300695564 1067052635 /nfs/dbraw/zinc/05/26/35/1067052635.db2.gz YLDREUUKLFOPPB-OAHLLOKOSA-N 1 2 458.360 4.060 20 0 JIADLO COc1cc[nH+]cc1Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(C)CCC1CC1 ZINC001300698393 1067057388 /nfs/dbraw/zinc/05/73/88/1067057388.db2.gz ZKSBPICAXBKMFJ-UHFFFAOYSA-N 1 2 470.618 4.081 20 0 JIADLO COc1cc[nH+]cc1Cn1c([C@@H]2CCCCO2)nnc1N(C)CCOc1ccc(Cl)cc1 ZINC001300698307 1067057556 /nfs/dbraw/zinc/05/75/56/1067057556.db2.gz ZCCHZARVRPCKRH-NRFANRHFSA-N 1 2 457.962 4.140 20 0 JIADLO COc1cc[nH+]cc1Cn1c(N(Cc2cccc(F)c2)C(C)C)nnc1[C@]1(OC(C)C)CCOC1 ZINC001300701538 1067061669 /nfs/dbraw/zinc/06/16/69/1067061669.db2.gz CAIMIWATPMBTDX-SANMLTNESA-N 1 2 483.588 4.325 20 0 JIADLO COc1ccc2cc(C(=O)N3CC[NH+](CCCc4nc(-c5cccs5)no4)CC3)ccc2c1 ZINC001319087809 1067066420 /nfs/dbraw/zinc/06/64/20/1067066420.db2.gz ADRBKHVKOZSLTG-UHFFFAOYSA-N 1 2 462.575 4.351 20 0 JIADLO COc1cc[nH+]cc1Cn1c(CSc2ccc(Cl)cc2)nnc1N(C)Cc1cnccn1 ZINC001300703005 1067067211 /nfs/dbraw/zinc/06/72/11/1067067211.db2.gz YTCLPFYHBVHMGU-UHFFFAOYSA-N 1 2 467.986 4.102 20 0 JIADLO O=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)c1ccc(Cl)c(I)c1 ZINC001351401146 1067089526 /nfs/dbraw/zinc/08/95/26/1067089526.db2.gz DUCJQORVMCRADE-UHFFFAOYSA-N 1 2 455.658 4.199 20 0 JIADLO COc1cc(Br)c(OC)c(C(=O)Nc2nc3ccccc3n2CCCn2cc[nH+]c2)c1 ZINC001321539054 1067159961 /nfs/dbraw/zinc/15/99/61/1067159961.db2.gz JVENWWYGSRLPRF-UHFFFAOYSA-N 1 2 484.354 4.355 20 0 JIADLO CN1C(=O)C[C@H](C(=O)NCc2ccccc2-c2ccc(Cn3cc[nH+]c3)cc2)c2ccccc21 ZINC001321549132 1067163425 /nfs/dbraw/zinc/16/34/25/1067163425.db2.gz BADIQGBVTLXUGF-VWLOTQADSA-N 1 2 450.542 4.365 20 0 JIADLO Cc1cc(C(=O)N2CCCC[C@H]2C)ccc1NC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001322063312 1067245711 /nfs/dbraw/zinc/24/57/11/1067245711.db2.gz KRNRAEDUOMMAMQ-QPPBQGQZSA-N 1 2 464.610 4.032 20 0 JIADLO Cc1cc(C(=O)N2CCCC[C@H]2C)ccc1NC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001322063312 1067245728 /nfs/dbraw/zinc/24/57/28/1067245728.db2.gz KRNRAEDUOMMAMQ-QPPBQGQZSA-N 1 2 464.610 4.032 20 0 JIADLO Cc1cc(Cl)cc(Cl)c1NC(=S)N1CCc2nnc(C[NH+]3CCCCC3)n2CC1 ZINC001200812105 1067265385 /nfs/dbraw/zinc/26/53/85/1067265385.db2.gz CEUQRHVRWGIZKH-UHFFFAOYSA-N 1 2 453.443 4.134 20 0 JIADLO CC(=O)N[C@@H](CC(=O)Nc1ccc2nc(C[NH+]3CCCCC3)[nH]c2c1)c1c(F)cccc1F ZINC001322391891 1067285411 /nfs/dbraw/zinc/28/54/11/1067285411.db2.gz AKSSFYPCIAIJTA-NRFANRHFSA-N 1 2 455.509 4.033 20 0 JIADLO O=C(Nc1ccc2nc(C[NH+]3CCCCC3)[nH]c2c1)[C@@H]1CCCN1c1ncnc2sccc21 ZINC001322450335 1067294796 /nfs/dbraw/zinc/29/47/96/1067294796.db2.gz WDTNDFKNADEHGX-FQEVSTJZSA-N 1 2 461.595 4.161 20 0 JIADLO C[NH+]1CCN(C(=O)c2ccccc2NC(=O)/C=C\c2ccccc2OCc2ccccc2)CC1 ZINC001352334985 1067334378 /nfs/dbraw/zinc/33/43/78/1067334378.db2.gz WYEWCJPFXHHKOX-NXVVXOECSA-N 1 2 455.558 4.305 20 0 JIADLO CO[C@H]1CN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCCc2cccc(C)[nH+]2)CC1(C)C ZINC001300791241 1067362065 /nfs/dbraw/zinc/36/20/65/1067362065.db2.gz KNNFTDDOVCRTPV-QHCPKHFHSA-N 1 2 476.625 4.345 20 0 JIADLO CO[C@@H]1CN(c2nnc(-c3cc(Br)c[nH]3)n2CCCc2cccc(C)[nH+]2)CC[C@@H]1C ZINC001300793423 1067365322 /nfs/dbraw/zinc/36/53/22/1067365322.db2.gz FXVMMIOJEFZDPD-MGPUTAFESA-N 1 2 473.419 4.233 20 0 JIADLO Cc1nc(C[N@@H+]2CCOC[C@]3(CCCN(C(=S)Nc4ccccc4Cl)C3)C2)cs1 ZINC001200859119 1067367821 /nfs/dbraw/zinc/36/78/21/1067367821.db2.gz OELYXUNQLXGMIS-OAQYLSRUSA-N 1 2 451.061 4.416 20 0 JIADLO Cc1nc(C[N@H+]2CCOC[C@]3(CCCN(C(=S)Nc4ccccc4Cl)C3)C2)cs1 ZINC001200859119 1067367834 /nfs/dbraw/zinc/36/78/34/1067367834.db2.gz OELYXUNQLXGMIS-OAQYLSRUSA-N 1 2 451.061 4.416 20 0 JIADLO C[C@@H](C(=O)N1CC[NH+](Cc2ccc(OC(F)(F)F)cc2)CC1)[C@H]1OCCc2sccc21 ZINC001355324391 1067419795 /nfs/dbraw/zinc/41/97/95/1067419795.db2.gz AFIADZOQKBPCFH-FOIQADDNSA-N 1 2 454.514 4.241 20 0 JIADLO COc1ccc(-c2nnc(N3CC[C@@H](C)C(C)(C)C3)n2Cc2ccc(N(C)C)[nH+]c2)cc1OC ZINC001300032294 1067427117 /nfs/dbraw/zinc/42/71/17/1067427117.db2.gz GCWLWDHMMYZTDX-GOSISDBHSA-N 1 2 464.614 4.344 20 0 JIADLO C[C@H](C(=O)N1CC[NH+](Cc2ccc(-c3cccc(Br)c3)s2)CC1)n1cccn1 ZINC001352482855 1067435574 /nfs/dbraw/zinc/43/55/74/1067435574.db2.gz QKNHJLWRZBYLFF-MRXNPFEDSA-N 1 2 459.413 4.280 20 0 JIADLO CC(C)[N@@H+]1CCC[C@@H]1C(=O)Nc1ccc(S(=O)(=O)c2ccc(Br)cc2)cc1 ZINC001355743481 1067570204 /nfs/dbraw/zinc/57/02/04/1067570204.db2.gz GKIYMXUNQWMRKN-LJQANCHMSA-N 1 2 451.386 4.093 20 0 JIADLO CC(C)[N@H+]1CCC[C@@H]1C(=O)Nc1ccc(S(=O)(=O)c2ccc(Br)cc2)cc1 ZINC001355743481 1067570217 /nfs/dbraw/zinc/57/02/17/1067570217.db2.gz GKIYMXUNQWMRKN-LJQANCHMSA-N 1 2 451.386 4.093 20 0 JIADLO CC(=O)N1CC[C@@H](NC(=O)[C@@H](c2cccc(Br)c2)[NH+]2CCCC2)c2ccccc21 ZINC001356404724 1067745204 /nfs/dbraw/zinc/74/52/04/1067745204.db2.gz XBBKJJYMPAYZRO-IFMALSPDSA-N 1 2 456.384 4.200 20 0 JIADLO COc1ccc(CN(C)c2nnc(-c3ccc(Cl)nc3)n2Cc2ccc(N(C)C)[nH+]c2)c(OC)c1 ZINC001300162445 1067817804 /nfs/dbraw/zinc/81/78/04/1067817804.db2.gz MZRUFSUAGSDZIX-UHFFFAOYSA-N 1 2 493.999 4.156 20 0 JIADLO CC[C@@H](C)[C@@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)c1cnc(OCc2ccccc2)cn1 ZINC001357246866 1067823825 /nfs/dbraw/zinc/82/38/25/1067823825.db2.gz NCJXGTXHMUYBQI-NLFFAJNJSA-N 1 2 459.594 4.132 20 0 JIADLO CC[C@@H](C)[C@@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)c1cnc(OCc2ccccc2)cn1 ZINC001357246866 1067823826 /nfs/dbraw/zinc/82/38/26/1067823826.db2.gz NCJXGTXHMUYBQI-NLFFAJNJSA-N 1 2 459.594 4.132 20 0 JIADLO Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)[C@@H]2CC(=O)N(Cc3ccccc3Cl)C2)c(C)c1 ZINC001357331418 1067835595 /nfs/dbraw/zinc/83/55/95/1067835595.db2.gz YDAPCVSUKUIRQH-OFNKIYASSA-N 1 2 450.970 4.060 20 0 JIADLO Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)[C@@H]2CC(=O)N(Cc3ccccc3Cl)C2)c(C)c1 ZINC001357331416 1067835600 /nfs/dbraw/zinc/83/56/00/1067835600.db2.gz YDAPCVSUKUIRQH-NFBKMPQASA-N 1 2 450.970 4.060 20 0 JIADLO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)Cc2noc3ccc(Br)cc32)C[C@H](C)O1 ZINC001357518855 1067863156 /nfs/dbraw/zinc/86/31/56/1067863156.db2.gz JGZQBUBKAAHMHE-GASCZTMLSA-N 1 2 458.356 4.381 20 0 JIADLO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)Cc2noc3ccc(Br)cc32)C[C@H](C)O1 ZINC001357518855 1067863159 /nfs/dbraw/zinc/86/31/59/1067863159.db2.gz JGZQBUBKAAHMHE-GASCZTMLSA-N 1 2 458.356 4.381 20 0 JIADLO Cc1nc(C[N@@H+]2CCO[C@@H]3CN(C(=S)Nc4c(C)cc(Br)cc4C)C[C@@H]3C2)cs1 ZINC001200222366 1067864980 /nfs/dbraw/zinc/86/49/80/1067864980.db2.gz SGEACDUBDOYSMX-QFBILLFUSA-N 1 2 495.512 4.360 20 0 JIADLO Cc1nc(C[N@H+]2CCO[C@@H]3CN(C(=S)Nc4c(C)cc(Br)cc4C)C[C@@H]3C2)cs1 ZINC001200222366 1067864984 /nfs/dbraw/zinc/86/49/84/1067864984.db2.gz SGEACDUBDOYSMX-QFBILLFUSA-N 1 2 495.512 4.360 20 0 JIADLO O=C(CCc1ccc(F)cc1F)NCc1cc[nH+]c(N2CCN(c3ccc(F)cc3)CC2)c1 ZINC001357552408 1067868829 /nfs/dbraw/zinc/86/88/29/1067868829.db2.gz OIWKCLJCYICIJJ-UHFFFAOYSA-N 1 2 454.496 4.075 20 0 JIADLO C[C@@H](CSC(F)(F)F)C(=O)NCc1cc[nH+]c(N2CCN(c3ccc(F)cc3)CC2)c1 ZINC001357552473 1067868895 /nfs/dbraw/zinc/86/88/95/1067868895.db2.gz OOYUAXVZQCBCPC-HNNXBMFYSA-N 1 2 456.509 4.053 20 0 JIADLO Cc1cc(Br)cc(C)c1NC(=S)NCCC[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC001200230168 1067874658 /nfs/dbraw/zinc/87/46/58/1067874658.db2.gz CGGVWJHLUIMTNW-UHFFFAOYSA-N 1 2 485.492 4.295 20 0 JIADLO CO[C@@H](c1ccc(Br)cc1)[C@@H](C)NC(=O)Cn1c(C)[nH+]c2cc(F)c(F)cc21 ZINC001357730378 1067892158 /nfs/dbraw/zinc/89/21/58/1067892158.db2.gz CQBATFWHSFMLLC-BIBXISHDSA-N 1 2 452.299 4.278 20 0 JIADLO COc1ccc(C[NH+]2CCN(c3nnc(C(C)(C)C)n3C[C@H]3CCCO[C@H]3C(C)C)CC2)cc1F ZINC001300230909 1067911227 /nfs/dbraw/zinc/91/12/27/1067911227.db2.gz NKBJTVLSEBQPFJ-QPPBQGQZSA-N 1 2 487.664 4.497 20 0 JIADLO CCCOc1ccc(C(C)(C)C)cc1S(=O)(=O)N1Cc2c[nH+]cn2C[C@H](COc2ccccn2)C1 ZINC001200286151 1067961300 /nfs/dbraw/zinc/96/13/00/1067961300.db2.gz DJVODYWHBPMBMJ-FQEVSTJZSA-N 1 2 498.649 4.264 20 0 JIADLO COc1ccc(F)cc1C[NH+]1CCN(c2nnc(C3CCCC3)n2CC[C@@H](OC)C(F)(F)F)CC1 ZINC001300244956 1067964232 /nfs/dbraw/zinc/96/42/32/1067964232.db2.gz DBWMHJDNWYRQQO-OAQYLSRUSA-N 1 2 499.553 4.373 20 0 JIADLO CC(C)(C)OC(=O)N1CCC(c2ncc(C(=O)Nc3ccc(-n4cc[nH+]c4)c(F)c3)o2)CC1 ZINC001358067158 1068006750 /nfs/dbraw/zinc/00/67/50/1068006750.db2.gz OMTZFFRUOVSHNN-UHFFFAOYSA-N 1 2 455.490 4.366 20 0 JIADLO Cc1ccc(-c2cnc(CCC(=O)N[C@@H](c3ccc(Cl)cc3)[C@@H]3C[N@H+](C)CCO3)o2)cc1 ZINC001358071171 1068007740 /nfs/dbraw/zinc/00/77/40/1068007740.db2.gz BOESFMPXPRMVBF-DHLKQENFSA-N 1 2 453.970 4.424 20 0 JIADLO Cc1ccc(-c2cnc(CCC(=O)N[C@@H](c3ccc(Cl)cc3)[C@@H]3C[N@@H+](C)CCO3)o2)cc1 ZINC001358071171 1068007758 /nfs/dbraw/zinc/00/77/58/1068007758.db2.gz BOESFMPXPRMVBF-DHLKQENFSA-N 1 2 453.970 4.424 20 0 JIADLO C[N@@H+]1CCO[C@@H]([C@@H](NC(=O)CCc2ccc(OC(F)(F)F)cc2)c2ccc(Cl)cc2)C1 ZINC001358071338 1068008392 /nfs/dbraw/zinc/00/83/92/1068008392.db2.gz DKFCTICMBVOHIF-CTNGQTDRSA-N 1 2 456.892 4.359 20 0 JIADLO C[N@H+]1CCO[C@@H]([C@@H](NC(=O)CCc2ccc(OC(F)(F)F)cc2)c2ccc(Cl)cc2)C1 ZINC001358071338 1068008403 /nfs/dbraw/zinc/00/84/03/1068008403.db2.gz DKFCTICMBVOHIF-CTNGQTDRSA-N 1 2 456.892 4.359 20 0 JIADLO CN(C)c1cc(C(=O)N[C@H](c2ccc(Cl)cc2)[C@H]2C[N@H+](C)CCO2)cc(C(F)(F)F)c1 ZINC001358073049 1068010370 /nfs/dbraw/zinc/01/03/70/1068010370.db2.gz RVPLZAXLDYHHCD-WOJBJXKFSA-N 1 2 455.908 4.227 20 0 JIADLO CN(C)c1cc(C(=O)N[C@H](c2ccc(Cl)cc2)[C@H]2C[N@@H+](C)CCO2)cc(C(F)(F)F)c1 ZINC001358073049 1068010384 /nfs/dbraw/zinc/01/03/84/1068010384.db2.gz RVPLZAXLDYHHCD-WOJBJXKFSA-N 1 2 455.908 4.227 20 0 JIADLO O=S(=O)(CC[NH2+]Cc1nc(-c2ccc(Br)cc2)c[nH]1)c1ccc(Cl)cc1 ZINC001200302439 1068022536 /nfs/dbraw/zinc/02/25/36/1068022536.db2.gz VBZSAPNJYKNBBZ-UHFFFAOYSA-N 1 2 454.777 4.056 20 0 JIADLO O=C(C[C@@H]1CCC[C@@H](C(F)(F)F)O1)N1CC[NH+](Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC001358124607 1068026102 /nfs/dbraw/zinc/02/61/02/1068026102.db2.gz RABDDFZEJANBFT-IRXDYDNUSA-N 1 2 454.411 4.120 20 0 JIADLO Cc1ccccc1-c1nnc(N2CC[C@H](NC(=O)OC(C)(C)C)C2)n1CCCNc1cccc[nH+]1 ZINC001492564869 1068072460 /nfs/dbraw/zinc/07/24/60/1068072460.db2.gz VWBFYFRZXIAWGT-FQEVSTJZSA-N 1 2 477.613 4.254 20 0 JIADLO C[C@@H](Oc1ccccc1C(F)(F)F)C(=O)N(Cc1ccccc1)[C@@H](C)C[NH+]1CCOCC1 ZINC001358434995 1068090862 /nfs/dbraw/zinc/09/08/62/1068090862.db2.gz ZGNICZOTTZOECY-RBUKOAKNSA-N 1 2 450.501 4.222 20 0 JIADLO CC(C)(C)c1cc(NC(=O)C(=O)NCc2ccccc2-c2ccc(Cn3cc[nH+]c3)cc2)no1 ZINC000510296557 1068168885 /nfs/dbraw/zinc/16/88/85/1068168885.db2.gz DRGACVFWYJKHRS-UHFFFAOYSA-N 1 2 457.534 4.139 20 0 JIADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(C(=S)NCc1ccc(OC)cc1)CC2 ZINC001200354113 1068207031 /nfs/dbraw/zinc/20/70/31/1068207031.db2.gz IBVOOLSMCZZRBG-UHFFFAOYSA-N 1 2 475.662 4.260 20 0 JIADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(C(=S)NCc1ccc(OC)cc1)CC2 ZINC001200354113 1068207067 /nfs/dbraw/zinc/20/70/67/1068207067.db2.gz IBVOOLSMCZZRBG-UHFFFAOYSA-N 1 2 475.662 4.260 20 0 JIADLO COc1ccccc1Nc1nc(-c2ccccc2)c(CC(=O)NCC(C)(C)[NH+]2CCOCC2)s1 ZINC000512656377 1068233124 /nfs/dbraw/zinc/23/31/24/1068233124.db2.gz ZPSLHDMGTYEOCK-UHFFFAOYSA-N 1 2 480.634 4.332 20 0 JIADLO COCCn1ccc(NC(=O)NC[C@@H](c2ccc(SC)cc2)[N@@H+]2CCc3sccc3C2)n1 ZINC000513926058 1068249885 /nfs/dbraw/zinc/24/98/85/1068249885.db2.gz PFFLORRTFNLWEV-FQEVSTJZSA-N 1 2 471.652 4.234 20 0 JIADLO COCCn1ccc(NC(=O)NC[C@@H](c2ccc(SC)cc2)[N@H+]2CCc3sccc3C2)n1 ZINC000513926058 1068249913 /nfs/dbraw/zinc/24/99/13/1068249913.db2.gz PFFLORRTFNLWEV-FQEVSTJZSA-N 1 2 471.652 4.234 20 0 JIADLO COc1cccc(C(C)(C)Cn2c(C)nnc2N(C)C[C@H](c2cccs2)[NH+]2CCOCC2)c1 ZINC001300331500 1068276225 /nfs/dbraw/zinc/27/62/25/1068276225.db2.gz XYSKNJFZNMCVOC-JOCHJYFZSA-N 1 2 469.655 4.144 20 0 JIADLO Cc1nc(NCc2cccc(C(=O)N[C@H]3CCN(c4ncc(C(F)(F)F)cc4Cl)C3)c2)cc[nH+]1 ZINC000622430655 1068361563 /nfs/dbraw/zinc/36/15/63/1068361563.db2.gz HWHQFPKMVUGPIA-SFHVURJKSA-N 1 2 490.917 4.473 20 0 JIADLO COc1cc(S(=O)(=O)Nc2cc(C)nn2CC2CC[NH+](Cc3ccccc3)CC2)ccc1F ZINC001200396593 1068378958 /nfs/dbraw/zinc/37/89/58/1068378958.db2.gz KILOYLICMQBABL-UHFFFAOYSA-N 1 2 472.586 4.052 20 0 JIADLO C[C@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)c1cc(S(C)(=O)=O)c(Cl)cc1Cl ZINC001353846853 1068658056 /nfs/dbraw/zinc/65/80/56/1068658056.db2.gz YMCZQQAQJQNMLI-HNNXBMFYSA-N 1 2 455.407 4.134 20 0 JIADLO C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)c1cc(S(C)(=O)=O)c(Cl)cc1Cl ZINC001353846853 1068658062 /nfs/dbraw/zinc/65/80/62/1068658062.db2.gz YMCZQQAQJQNMLI-HNNXBMFYSA-N 1 2 455.407 4.134 20 0 JIADLO C[C@H](Cc1cccs1)N(Cc1ccc(Cl)cc1)C(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001353966017 1068806309 /nfs/dbraw/zinc/80/63/09/1068806309.db2.gz RAIWHFLQFQUXNJ-AAIMPIBUSA-N 1 2 463.043 4.241 20 0 JIADLO Cc1ccccc1-c1nnc(N2CCC[C@@H](NC(=O)OC(C)(C)C)C2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001492568416 1068845555 /nfs/dbraw/zinc/84/55/55/1068845555.db2.gz YIDGALBDMZXOTM-OAQYLSRUSA-N 1 2 491.640 4.256 20 0 JIADLO COc1ccccc1-c1nnc(N2CC[C@H](NC(=O)OC(C)(C)C)C2)n1CCCc1cccc(C)[nH+]1 ZINC001300491707 1068856895 /nfs/dbraw/zinc/85/68/95/1068856895.db2.gz OLUFSWLJEPCTMW-NRFANRHFSA-N 1 2 492.624 4.393 20 0 JIADLO Cc1ccc([C@H]([NH2+]Cc2cnc(C3OCCO3)s2)c2cccc(S(C)(=O)=O)c2)c(C)c1 ZINC001200581909 1068947724 /nfs/dbraw/zinc/94/77/24/1068947724.db2.gz UPFQGHQZCLKVDY-OAQYLSRUSA-N 1 2 458.605 4.088 20 0 JIADLO CCOc1ccc(C[NH+]2CCN(C(=O)Nc3nnc(Cc4cccc(F)c4)s3)CC2)cc1 ZINC000504137895 1069060472 /nfs/dbraw/zinc/06/04/72/1069060472.db2.gz VJDHOVGHVCISSS-UHFFFAOYSA-N 1 2 455.559 4.016 20 0 JIADLO COc1ccccc1Cc1nnc(N2CC[NH+](Cc3cnc(C)s3)CC2)n1CCSC(C)C ZINC001300573512 1069089563 /nfs/dbraw/zinc/08/95/63/1069089563.db2.gz HQSMZSKMKMSPCI-UHFFFAOYSA-N 1 2 486.711 4.106 20 0 JIADLO C[C@@H](C(=O)Nc1nccc2cc(Br)ccc21)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC001472574552 1069124054 /nfs/dbraw/zinc/12/40/54/1069124054.db2.gz SOJHKSMHFXYVIP-HNNXBMFYSA-N 1 2 457.347 4.286 20 0 JIADLO O=C(c1ccc(NC(=S)Nc2cc(F)cc(F)c2)cc1)N1CCN(c2cccc[nH+]2)CC1 ZINC001200670472 1069231988 /nfs/dbraw/zinc/23/19/88/1069231988.db2.gz WTRNJTGZIWPCLH-UHFFFAOYSA-N 1 2 453.518 4.131 20 0 JIADLO Fc1ccc(C(F)(F)N2CCO[C@H](c3[nH+]cn4c3cccc4Br)C2)nc1Cl ZINC001164419976 718890075 /nfs/dbraw/zinc/89/00/75/718890075.db2.gz SNECERBWWAOXDB-LBPRGKRZSA-N 1 2 461.669 4.407 20 0 JIADLO CCOC(=O)/C=C/c1cccnc1N1CCC2(CC1)c1ncc(-c3ccccc3)n1CC[N@H+]2CC ZINC001164663138 719346209 /nfs/dbraw/zinc/34/62/09/719346209.db2.gz FDJPMKSVALHXPK-OUKQBFOZSA-N 1 2 471.605 4.353 20 0 JIADLO CCOC(=O)/C=C/c1cccnc1N1CCC2(CC1)c1ncc(-c3ccccc3)n1CC[N@@H+]2CC ZINC001164663138 719346213 /nfs/dbraw/zinc/34/62/13/719346213.db2.gz FDJPMKSVALHXPK-OUKQBFOZSA-N 1 2 471.605 4.353 20 0 JIADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ncc3ncn(C(C)C)c3n1)CC2 ZINC001164658521 719353690 /nfs/dbraw/zinc/35/36/90/719353690.db2.gz IADLAEIAMUCDHX-UHFFFAOYSA-N 1 2 456.598 4.102 20 0 JIADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ncc3ncn(C(C)C)c3n1)CC2 ZINC001164658521 719353694 /nfs/dbraw/zinc/35/36/94/719353694.db2.gz IADLAEIAMUCDHX-UHFFFAOYSA-N 1 2 456.598 4.102 20 0 JIADLO CC(C)(C)OC(=O)Nc1ccc(N2CCC3(CC2)COCC[N@@H+]3Cc2ccc(F)cc2)nc1 ZINC001164671481 719521890 /nfs/dbraw/zinc/52/18/90/719521890.db2.gz FDVHPWQWMYAABF-UHFFFAOYSA-N 1 2 456.562 4.439 20 0 JIADLO CC(C)(C)OC(=O)Nc1ccc(N2CCC3(CC2)COCC[N@H+]3Cc2ccc(F)cc2)nc1 ZINC001164671481 719521901 /nfs/dbraw/zinc/52/19/01/719521901.db2.gz FDVHPWQWMYAABF-UHFFFAOYSA-N 1 2 456.562 4.439 20 0 JIADLO Fc1cccc(-c2cc(C(F)(F)N3CCc4onc(Cn5cc[nH+]c5)c4C3)c(Cl)nn2)c1 ZINC001164676997 719567947 /nfs/dbraw/zinc/56/79/47/719567947.db2.gz UOCQTVZNIPUOOB-UHFFFAOYSA-N 1 2 460.847 4.277 20 0 JIADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ccc(-c2ccc(Oc3ccccc3)cc2)nn1 ZINC001164702982 719874964 /nfs/dbraw/zinc/87/49/64/719874964.db2.gz JKNPUUYUXPNLCB-RBISFHTESA-N 1 2 488.588 4.169 20 0 JIADLO CC(=O)NC[C@H]1c2[nH+]cn(C(C)C)c2CCN1C(F)(F)c1ccc(-c2cc(Cl)ncn2)cc1 ZINC001164726061 720312123 /nfs/dbraw/zinc/31/21/23/720312123.db2.gz XTAFUJZYRYFYMK-FQEVSTJZSA-N 1 2 474.943 4.359 20 0 JIADLO CC(=O)NC[C@@H]1c2[nH+]cn(C(C)C)c2CCN1C(F)(F)c1nc(Cl)c2cc(Cl)ccc2n1 ZINC001164726449 720312927 /nfs/dbraw/zinc/31/29/27/720312927.db2.gz ZDPLTQZPQDDEQB-QGZVFWFLSA-N 1 2 483.350 4.499 20 0 JIADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4nc(Cl)nc5ccc(Cl)cc54)CC3)C2=O)cs1 ZINC001164825587 720359054 /nfs/dbraw/zinc/35/90/54/720359054.db2.gz RMOXPOHUAXXEHE-UHFFFAOYSA-N 1 2 491.448 4.015 20 0 JIADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4nc(Cl)nc5ccc(Cl)cc54)CC3)C2=O)cs1 ZINC001164825587 720359059 /nfs/dbraw/zinc/35/90/59/720359059.db2.gz RMOXPOHUAXXEHE-UHFFFAOYSA-N 1 2 491.448 4.015 20 0 JIADLO FC(F)(Oc1ccc(-c2ccnc(Cl)c2)cc1)N1CCCn2nnc(Cn3cc[nH+]c3)c2C1 ZINC001164829652 720398480 /nfs/dbraw/zinc/39/84/80/720398480.db2.gz NXCBQDSOYJRRTN-UHFFFAOYSA-N 1 2 471.899 4.073 20 0 JIADLO FC(F)(c1nc(Cl)c2ccccc2n1)N1Cc2c[nH+]cn2C[C@@H](COc2cccnc2)C1 ZINC001164766993 721272069 /nfs/dbraw/zinc/27/20/69/721272069.db2.gz PUXIRFWRSQGOIL-OAHLLOKOSA-N 1 2 456.884 4.135 20 0 JIADLO FC(F)(c1cc(-c2ccco2)nnc1Cl)N1Cc2c[nH+]cn2C[C@H](COc2cccnc2)C1 ZINC001164770058 721275105 /nfs/dbraw/zinc/27/51/05/721275105.db2.gz TZFADQXOYCPLSM-HNNXBMFYSA-N 1 2 472.883 4.242 20 0 JIADLO FC(F)(c1cc(Cl)nc(-c2ccncc2)n1)N1Cc2c[nH+]cn2C[C@@H](COc2cccnc2)C1 ZINC001164770032 721275362 /nfs/dbraw/zinc/27/53/62/721275362.db2.gz SRMOTUZNKMAOKF-MRXNPFEDSA-N 1 2 483.910 4.044 20 0 JIADLO FC(F)(c1cc(Cl)nc(-c2ccccn2)n1)N1Cc2c[nH+]cn2C[C@@H](COc2cccnc2)C1 ZINC001164766281 721275632 /nfs/dbraw/zinc/27/56/32/721275632.db2.gz BISSKYNOPQKPEL-MRXNPFEDSA-N 1 2 483.910 4.044 20 0 JIADLO C[NH+](C)Cc1nc2scc(-c3ccccc3)c2c(N2Cc3nccn3C[C@@H](Cn3cccn3)C2)n1 ZINC001164895167 721487593 /nfs/dbraw/zinc/48/75/93/721487593.db2.gz KAZADIHSTSQUTO-LJQANCHMSA-N 1 2 484.633 4.150 20 0 JIADLO COc1ccc(-c2nc3ccc(F)cc3c(N3CCCn4c(C[N@H+](C)C(C)C)nnc4C3)n2)cc1 ZINC001165010376 721699104 /nfs/dbraw/zinc/69/91/04/721699104.db2.gz HSINDEKDKKJWLN-UHFFFAOYSA-N 1 2 475.572 4.287 20 0 JIADLO COc1ccc(-c2nc3ccc(F)cc3c(N3CCCn4c(C[N@@H+](C)C(C)C)nnc4C3)n2)cc1 ZINC001165010376 721699109 /nfs/dbraw/zinc/69/91/09/721699109.db2.gz HSINDEKDKKJWLN-UHFFFAOYSA-N 1 2 475.572 4.287 20 0 JIADLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(c1cnc(Cl)nc1Oc1ccc(Cl)cc1)C2 ZINC001165011833 721721043 /nfs/dbraw/zinc/72/10/43/721721043.db2.gz WDROVWDYBHCKSQ-UHFFFAOYSA-N 1 2 462.385 4.418 20 0 JIADLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(c1cnc(Cl)nc1Oc1ccc(Cl)cc1)C2 ZINC001165011833 721721047 /nfs/dbraw/zinc/72/10/47/721721047.db2.gz WDROVWDYBHCKSQ-UHFFFAOYSA-N 1 2 462.385 4.418 20 0 JIADLO Clc1nc(Cl)c(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)c(Cl)c1Cl ZINC001164913359 721776211 /nfs/dbraw/zinc/77/62/11/721776211.db2.gz XKHLKOKSCJBQAA-LJQANCHMSA-N 1 2 478.207 4.198 20 0 JIADLO Clc1nc(Cl)c(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)c(Cl)c1Cl ZINC001164913359 721776216 /nfs/dbraw/zinc/77/62/16/721776216.db2.gz XKHLKOKSCJBQAA-LJQANCHMSA-N 1 2 478.207 4.198 20 0 JIADLO COCc1nc2scc(-c3ccccc3)c2c(N2CCC3(CC2)c2[nH+]cc(C)n2CCN3C)n1 ZINC001164918977 721820179 /nfs/dbraw/zinc/82/01/79/721820179.db2.gz JMLWYLOPMIRMFW-UHFFFAOYSA-N 1 2 474.634 4.451 20 0 JIADLO CCc1ccc(Oc2nc(Cl)ncc2N2CCC3(CC2)c2[nH+]cc(C)n2CCN3C)cc1 ZINC001164918488 721821820 /nfs/dbraw/zinc/82/18/20/721821820.db2.gz DYAHKQSUENPXIC-UHFFFAOYSA-N 1 2 452.990 4.431 20 0 JIADLO CC(C)(C)c1nnc(N2CCC=C(Br)C2)n1Cc1cc[nH+]c(N2CCCCC2)c1 ZINC001359508744 1069783911 /nfs/dbraw/zinc/78/39/11/1069783911.db2.gz GZOGPKKUSRHBIU-UHFFFAOYSA-N 1 2 459.436 4.498 20 0 JIADLO CC(C)C(=O)NC[C@H]1CCCN(c2nnc(CC(C)(C)C)n2Cc2cccc(Cn3cc[nH+]c3)c2)C1 ZINC001359629391 1070139702 /nfs/dbraw/zinc/13/97/02/1070139702.db2.gz UPNCRJQIIHUXPD-XMMPIXPASA-N 1 2 491.684 4.148 20 0 JIADLO CC(C)c1nnc(N2CC[C@H](CNC(=O)OC(C)(C)C)C2)n1C[C@@H](c1c(F)cccc1F)[NH+](C)C ZINC001359697058 1070356499 /nfs/dbraw/zinc/35/64/99/1070356499.db2.gz GPWPLADLFUKSGT-XLIONFOSSA-N 1 2 492.615 4.334 20 0 JIADLO COc1cc[nH+]cc1Cn1c(Cc2csc(C)n2)nnc1N(C)Cc1cc(Cl)ccc1OC ZINC001315509435 1064437043 /nfs/dbraw/zinc/43/70/43/1064437043.db2.gz BKCMZTFJAGWGNV-UHFFFAOYSA-N 1 2 485.013 4.384 20 0 JIADLO COc1ccc(F)cc1C[NH+]1CCN(c2nnc(-c3ccc(C)o3)n2CCC(C)(F)F)CC1 ZINC001315515254 1064461278 /nfs/dbraw/zinc/46/12/78/1064461278.db2.gz IJTVFPQFPQDSTD-UHFFFAOYSA-N 1 2 463.504 4.362 20 0 JIADLO COc1cccc(-c2nnc(N3CCN(C(=O)OCC(C)C)CC3)n2CCCc2cccc(C)[nH+]2)c1 ZINC001315565097 1064596258 /nfs/dbraw/zinc/59/62/58/1064596258.db2.gz ZQGJJPCYRVCCDJ-UHFFFAOYSA-N 1 2 492.624 4.205 20 0 JIADLO COc1cccc(CN(C)c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2Cc2ccc(N(C)C)[nH+]c2)c1 ZINC001315577682 1064637789 /nfs/dbraw/zinc/63/77/89/1064637789.db2.gz NJIAYVWJBXDEJW-ISKFKSNPSA-N 1 2 478.641 4.351 20 0 JIADLO COc1ccccc1SCc1nnc(N2C[C@H](C)CC[C@H]2C)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001315662523 1064866092 /nfs/dbraw/zinc/86/60/92/1064866092.db2.gz QVLRXERJJLKXKI-WOJBJXKFSA-N 1 2 473.687 4.315 20 0 JIADLO COc1ccccc1SCc1nnc(N2C[C@H](C)CC[C@H]2C)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001315662523 1064866094 /nfs/dbraw/zinc/86/60/94/1064866094.db2.gz QVLRXERJJLKXKI-WOJBJXKFSA-N 1 2 473.687 4.315 20 0 JIADLO COc1ccccc1SCc1nnc(N2CCC[C@@H]2CSC)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001315663517 1064870357 /nfs/dbraw/zinc/87/03/57/1064870357.db2.gz APNBRYHBUZLIKR-LJQANCHMSA-N 1 2 484.695 4.420 20 0 JIADLO COc1cc[nH+]cc1Cn1c(-c2ccc(Br)s2)nnc1N1CC[C@@H](C)[C@@H](OC)C1 ZINC001315668651 1064892752 /nfs/dbraw/zinc/89/27/52/1064892752.db2.gz BTTXSJMROMKLNJ-CJNGLKHVSA-N 1 2 478.416 4.082 20 0 JIADLO COc1cc[nH+]cc1Cn1c(-c2ccc(OC)c(OC)c2)nnc1N(C)Cc1cccs1 ZINC001315669565 1064896864 /nfs/dbraw/zinc/89/68/64/1064896864.db2.gz MJOIOYDRALCGHR-UHFFFAOYSA-N 1 2 451.552 4.112 20 0 JIADLO COc1cc[nH+]cc1Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCN(CC(C)C)C(=O)C1 ZINC001315669872 1064897960 /nfs/dbraw/zinc/89/79/60/1064897960.db2.gz PLXZMYWNDSVUOL-UHFFFAOYSA-N 1 2 489.407 4.008 20 0 JIADLO COc1cc[nH+]cc1Cn1c(-c2ccc(Cl)cc2)nnc1N1CCC(C(=O)C(F)(F)F)CC1 ZINC001315670181 1064898080 /nfs/dbraw/zinc/89/80/80/1064898080.db2.gz ROKNSSGRJFZFGG-UHFFFAOYSA-N 1 2 479.890 4.398 20 0 JIADLO COc1cc[nH+]cc1Cn1c(-c2ccc(Cl)nc2)nnc1N(C)Cc1ccc(Br)o1 ZINC001315670388 1064899181 /nfs/dbraw/zinc/89/91/81/1064899181.db2.gz WRORQLLWRDRSSN-UHFFFAOYSA-N 1 2 489.761 4.437 20 0 JIADLO COc1cc[nH+]cc1Cn1c(Cc2ccc(Cl)cc2)nnc1N(C)Cc1c(C)noc1C ZINC001315672210 1064902636 /nfs/dbraw/zinc/90/26/36/1064902636.db2.gz PKAGUAWVFRLXMR-UHFFFAOYSA-N 1 2 452.946 4.215 20 0 JIADLO COc1cc[nH+]cc1Cn1c(Cc2ccccn2)nnc1N(C)[C@@H](C)c1cc(F)ccc1F ZINC001315672668 1064903173 /nfs/dbraw/zinc/90/31/73/1064903173.db2.gz XJKTVDGLYWRCAA-INIZCTEOSA-N 1 2 450.493 4.191 20 0 JIADLO COc1cc[nH+]cc1Cn1c(CSc2ccc(C)cc2)nnc1N(C)C[C@@H]1CCCCO1 ZINC001315672949 1064904292 /nfs/dbraw/zinc/90/42/92/1064904292.db2.gz RRCVYHUAHVYIGU-FQEVSTJZSA-N 1 2 453.612 4.336 20 0 JIADLO COc1cc[nH+]cc1Cn1c(COc2ccccc2OC)nnc1N1CCC(C(C)C)CC1 ZINC001315672861 1064904407 /nfs/dbraw/zinc/90/44/07/1064904407.db2.gz QOUXSSXEZFACIY-UHFFFAOYSA-N 1 2 451.571 4.190 20 0 JIADLO COc1cc[nH+]cc1Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CCCC[C@H](C)C1 ZINC001315673326 1064906097 /nfs/dbraw/zinc/90/60/97/1064906097.db2.gz YYBIJLYAOXPYLC-CMKODMSKSA-N 1 2 470.618 4.127 20 0 JIADLO COC1CCC(Cn2c(C(C)C)nnc2N(C)C[C@@H](c2cccs2)[NH+]2CCOCC2)CC1 ZINC001315679572 1064920315 /nfs/dbraw/zinc/92/03/15/1064920315.db2.gz MQYWAKQCUQCLRH-CBNMVNINSA-N 1 2 461.676 4.178 20 0 JIADLO CO[C@@H]1CCCN(c2nnc([C@@H](C)Oc3c(C)cc(Cl)cc3C)n2C[C@@H](C)[NH+]2CCOCC2)C1 ZINC001315688282 1064941633 /nfs/dbraw/zinc/94/16/33/1064941633.db2.gz CGYXZLFSVGSPBE-KCZVDYSFSA-N 1 2 492.064 4.024 20 0 JIADLO CO[C@H]1CCCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CCCc2cccc(C)[nH+]2)C1 ZINC001315707789 1064982170 /nfs/dbraw/zinc/98/21/70/1064982170.db2.gz QDBFZJKXNDDYDA-VXKWHMMOSA-N 1 2 484.645 4.302 20 0 JIADLO CO[C@@H]1CN(c2nnc(-c3cc(Br)cn3C)n2CCCc2cccc(C)[nH+]2)CC[C@@H]1C ZINC001315711344 1064987947 /nfs/dbraw/zinc/98/79/47/1064987947.db2.gz CASSYQFRYKLMBV-HRAATJIYSA-N 1 2 487.446 4.244 20 0 JIADLO COCC1(Cn2c(CC(C)(C)C)nnc2N2CCN(c3cc(C)[nH+]c(C(C)C)n3)CC2)CCC1 ZINC001315847259 1065239327 /nfs/dbraw/zinc/23/93/27/1065239327.db2.gz CVSNRUBDCXCSEC-UHFFFAOYSA-N 1 2 469.678 4.232 20 0 JIADLO COCCC(C)(C)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCc2c(cc[nH+]c2N(C)C)C1 ZINC001315957690 1065506358 /nfs/dbraw/zinc/50/63/58/1065506358.db2.gz SHYAIFLBWCGZCX-UHFFFAOYSA-N 1 2 494.640 4.049 20 0 JIADLO COCC[C@H]1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2CC(C)(C)[NH+]2CCOCC2)C1 ZINC001315991992 1065565986 /nfs/dbraw/zinc/56/59/86/1065565986.db2.gz MLJCWXHZZHEMKY-XZOQPEGZSA-N 1 2 485.673 4.009 20 0 JIADLO COCCO[C@@H](C)c1nnc(N2CCCC[C@H](C)C2)n1Cc1cc[nH+]c(N2CCCCC2)c1 ZINC001316196295 1065891069 /nfs/dbraw/zinc/89/10/69/1065891069.db2.gz BRAZKHCDNUIGKA-SFTDATJTSA-N 1 2 456.635 4.062 20 0 JIADLO CSC(C)(C)Cn1c(N(C)C[C@H](c2cccs2)[NH+]2CCOCC2)nnc1C(C)(C)C ZINC001316373216 1066127126 /nfs/dbraw/zinc/12/71/26/1066127126.db2.gz LMVHDMUDQBKKLJ-QGZVFWFLSA-N 1 2 451.706 4.288 20 0 JIADLO CS[C@H](C)Cn1c(-c2ccc(Br)cc2)nnc1N1CC[NH+](Cc2cc(C)no2)CC1 ZINC001316374177 1066130775 /nfs/dbraw/zinc/13/07/75/1066130775.db2.gz CDJWRJXUMJRFME-MRXNPFEDSA-N 1 2 491.459 4.078 20 0 JIADLO CS[C@@H](C)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCc2c(cc[nH+]c2N(C)C)C1 ZINC001316378447 1066145379 /nfs/dbraw/zinc/14/53/79/1066145379.db2.gz UYYQKDFAYMBACZ-HNNXBMFYSA-N 1 2 474.581 4.322 20 0 JIADLO CS[C@@H](Cn1c(-c2ccc(Cl)cc2)nnc1N(C)CC[NH+]1CCOCC1)C(C)(C)C ZINC001316388595 1066160953 /nfs/dbraw/zinc/16/09/53/1066160953.db2.gz NKGFDGLYOBQDCR-IBGZPJMESA-N 1 2 452.068 4.145 20 0 JIADLO CS[C@H](Cn1c(-c2ccc(Cl)cc2)nnc1N(C)CC[NH+]1CCOCC1)C(C)(C)C ZINC001316388596 1066160988 /nfs/dbraw/zinc/16/09/88/1066160988.db2.gz NKGFDGLYOBQDCR-LJQANCHMSA-N 1 2 452.068 4.145 20 0 JIADLO CSc1ccc(F)cc1Cn1c(CC(C)(C)C)nnc1N1CC[NH+](Cc2cc(C)no2)CC1 ZINC001316421942 1066229911 /nfs/dbraw/zinc/22/99/11/1066229911.db2.gz QCOVNJVIYHHXCP-UHFFFAOYSA-N 1 2 472.634 4.395 20 0 JIADLO CSCC[C@H](C)N(C)c1nnc(-c2ccc(C)o2)n1C[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC001316444504 1066311473 /nfs/dbraw/zinc/31/14/73/1066311473.db2.gz KWUHLSAYLUQDBV-UGKGYDQZSA-N 1 2 469.655 4.498 20 0 JIADLO O=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1)Nc1ccc(NC(=O)C2CC2)cc1C(F)(F)F ZINC001333501600 1066388689 /nfs/dbraw/zinc/38/86/89/1066388689.db2.gz RVTIHFIBRHMSBN-LJQANCHMSA-N 1 2 476.499 4.076 20 0 JIADLO O=C(NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)Nc1ccc(NC(=O)C2CC2)cc1C(F)(F)F ZINC001333501600 1066388709 /nfs/dbraw/zinc/38/87/09/1066388709.db2.gz RVTIHFIBRHMSBN-LJQANCHMSA-N 1 2 476.499 4.076 20 0 JIADLO Cc1cccc(CCCn2c(-c3ccccn3)nnc2N2CCC[C@@H](CNC(=O)OC(C)(C)C)C2)[nH+]1 ZINC001492525409 1066405937 /nfs/dbraw/zinc/40/59/37/1066405937.db2.gz AWDQVUPZHYCZFE-NRFANRHFSA-N 1 2 491.640 4.417 20 0 JIADLO Cc1cccc(CCCn2c(-c3ccc(Cl)nc3)nnc2N2CC[C@@H](NC(=O)OC(C)(C)C)C2)[nH+]1 ZINC001492526473 1066414860 /nfs/dbraw/zinc/41/48/60/1066414860.db2.gz ZWMLFZVHUMZWLN-HXUWFJFHSA-N 1 2 498.031 4.433 20 0 JIADLO Cc1cccc(CCCn2c(-c3cccnc3)nnc2N2CCC[C@H](CNC(=O)C(C)(C)C)C2)[nH+]1 ZINC001492526383 1066415448 /nfs/dbraw/zinc/41/54/48/1066415448.db2.gz WJOINNCKSFVKRI-OAQYLSRUSA-N 1 2 475.641 4.055 20 0 JIADLO Cc1cccc(CCCn2c(Cc3c(F)cccc3F)nnc2N2CCCN(C(=O)C(C)C)CC2)[nH+]1 ZINC001492526731 1066416474 /nfs/dbraw/zinc/41/64/74/1066416474.db2.gz JONQVEMTRWYZSZ-UHFFFAOYSA-N 1 2 496.606 4.178 20 0 JIADLO C[C@H](Sc1ncccc1C(=O)Nc1ccc2nc(C[NH+]3CCCCC3)[nH]c2c1)C(=O)N1CCCC1 ZINC001338428346 1066553585 /nfs/dbraw/zinc/55/35/85/1066553585.db2.gz CURZPQVPVSXLHF-SFHVURJKSA-N 1 2 492.649 4.299 20 0 JIADLO Cc1ccc(C2N=NC(=S)N2CCC(=O)Nc2ccc3nc(C[NH+]4CCCCC4)[nH]c3c2)cc1 ZINC001338431801 1066555629 /nfs/dbraw/zinc/55/56/29/1066555629.db2.gz XXLZUYSDVRQBSR-UHFFFAOYSA-N 1 2 475.622 4.433 20 0 JIADLO NC(=O)[C@@H]1CCCN(c2ccc(C(=O)NCc3ccccc3-c3ccc(Cn4cc[nH+]c4)cc3)cc2)C1 ZINC001338557047 1066563850 /nfs/dbraw/zinc/56/38/50/1066563850.db2.gz MQBMZDQIEVPBHS-AREMUKBSSA-N 1 2 493.611 4.230 20 0 JIADLO O=C(CCC(=O)N1CC(=O)Nc2ccccc21)O[C@H](Cn1cc[nH+]c1)c1ccc(Cl)cc1Cl ZINC001343804107 1066620672 /nfs/dbraw/zinc/62/06/72/1066620672.db2.gz UPGIARPQIKDHBS-HXUWFJFHSA-N 1 2 487.343 4.240 20 0 JIADLO Cc1cccc([C@H](Cn2c(C(C)C)nnc2N2CCC[C@H](OCC(F)(F)F)C2)[NH+]2CCOCC2)c1 ZINC001492479972 1066625796 /nfs/dbraw/zinc/62/57/96/1066625796.db2.gz IWSMBYQVLINVRE-VXKWHMMOSA-N 1 2 495.590 4.331 20 0 JIADLO O=C(CCn1cnc2sccc2c1=O)O[C@@H](Cn1cc[nH+]c1)c1ccc(Cl)cc1Cl ZINC001344821541 1066636393 /nfs/dbraw/zinc/63/63/93/1066636393.db2.gz RQAYBDMASAGBRN-KRWDZBQOSA-N 1 2 463.346 4.336 20 0 JIADLO CCn1c(-c2cccc(S(=O)(=O)N3CCCC3)c2)nn(C[N@@H+]2CC[C@@H]3CCCC[C@@H]3C2)c1=S ZINC001317705367 1066638210 /nfs/dbraw/zinc/63/82/10/1066638210.db2.gz YVCFZLANTRSJDV-PZJWPPBQSA-N 1 2 489.711 4.355 20 0 JIADLO CCn1c(-c2cccc(S(=O)(=O)N3CCCC3)c2)nn(C[N@H+]2CC[C@@H]3CCCC[C@@H]3C2)c1=S ZINC001317705367 1066638219 /nfs/dbraw/zinc/63/82/19/1066638219.db2.gz YVCFZLANTRSJDV-PZJWPPBQSA-N 1 2 489.711 4.355 20 0 JIADLO Cc1cccc(OCc2nnc(N3CC=C(C(C)(C)C)CC3)n2C[C@H](C)[NH+]2CCOCC2)c1 ZINC001492542202 1066654756 /nfs/dbraw/zinc/65/47/56/1066654756.db2.gz LTGUGMSKIDTHJA-NRFANRHFSA-N 1 2 453.631 4.069 20 0 JIADLO Cc1cccc2c(=O)n(CC(=O)O[C@H](Cn3cc[nH+]c3)c3ccc(Cl)cc3Cl)cnc12 ZINC001348138413 1066723049 /nfs/dbraw/zinc/72/30/49/1066723049.db2.gz ACGYQUFPWHNOGZ-LJQANCHMSA-N 1 2 457.317 4.193 20 0 JIADLO Cc1ccc(NC(=O)[C@@H]([NH2+]Cc2ccccc2NS(C)(=O)=O)c2ccccc2)cc1Cl ZINC001317913305 1066782430 /nfs/dbraw/zinc/78/24/30/1066782430.db2.gz ITQNIAIZVDPMST-QFIPXVFZSA-N 1 2 457.983 4.490 20 0 JIADLO CCN(C[C@@H]1COc2ccccc2O1)C(=O)[C@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC001349830936 1066887330 /nfs/dbraw/zinc/88/73/30/1066887330.db2.gz BFCPMBKSBJDBKV-KNQAVFIVSA-N 1 2 459.384 4.275 20 0 JIADLO O=C1Nc2ccccc2[C@H]1C1CC[NH+](CN2C(=O)NC3(CCC(c4ccccc4)CC3)C2=O)CC1 ZINC001318165849 1066933711 /nfs/dbraw/zinc/93/37/11/1066933711.db2.gz IGFTUDZZMXZNAM-KBEAHSEHSA-N 1 2 472.589 4.040 20 0 JIADLO C[C@]1(c2ccc3ccccc3c2)NC(=O)N(C[NH+]2CCC([C@H]3c4ccccc4NC3=O)CC2)C1=O ZINC001318166027 1066934332 /nfs/dbraw/zinc/93/43/32/1066934332.db2.gz JSCYSOYUMGMCMK-RBJSKKJNSA-N 1 2 468.557 4.012 20 0 JIADLO Cc1nnc(SCC(=O)Nc2ccc3nc(C[NH+]4CCCCC4)[nH]c3c2)n1Cc1ccccc1 ZINC001318210722 1066961026 /nfs/dbraw/zinc/96/10/26/1066961026.db2.gz UMFNUBMLURFDJN-UHFFFAOYSA-N 1 2 475.622 4.228 20 0 JIADLO C[C@H](NC(=O)c1ccc(Br)s1)C(=O)Nc1ccc2nc(C[NH+]3CCCCC3)[nH]c2c1 ZINC001318238116 1066978309 /nfs/dbraw/zinc/97/83/09/1066978309.db2.gz PREYIWUQLKNEIE-ZDUSSCGKSA-N 1 2 490.427 4.130 20 0 JIADLO COc1ccc(-c2cn(-c3ccccc3)nc2C(=O)N2CCC[C@H](n3cc[nH+]c3)C2)cc1OC ZINC001318253892 1066985482 /nfs/dbraw/zinc/98/54/82/1066985482.db2.gz MDCZUZLJQCETHA-NRFANRHFSA-N 1 2 457.534 4.230 20 0 JIADLO COc1cc[nH+]cc1Cn1c(-c2ccccc2C)nnc1N1CCC(C(=O)N[C@@H](C)C(C)C)CC1 ZINC001300692147 1067041296 /nfs/dbraw/zinc/04/12/96/1067041296.db2.gz AKLGTDXNLDEOAN-FQEVSTJZSA-N 1 2 476.625 4.083 20 0 JIADLO COc1cc[nH+]cc1Cn1c(-c2ccccc2Br)nnc1N(C)CCC1CCOCC1 ZINC001300692183 1067041393 /nfs/dbraw/zinc/04/13/93/1067041393.db2.gz BPPAEODUBHALHF-UHFFFAOYSA-N 1 2 486.414 4.412 20 0 JIADLO COc1cc[nH+]cc1Cn1c(-c2cccc(C)n2)nnc1N(C)[C@@H](C)CCc1ccc(O)cc1 ZINC001300693849 1067046420 /nfs/dbraw/zinc/04/64/20/1067046420.db2.gz ZLRSLVZQENRISI-IBGZPJMESA-N 1 2 458.566 4.264 20 0 JIADLO COc1cc[nH+]cc1Cn1c(-c2cc(Br)cn2C)nnc1N1CCC(Cl)=C(Cl)C1 ZINC001300694346 1067048742 /nfs/dbraw/zinc/04/87/42/1067048742.db2.gz QTSIVADPIXZESH-UHFFFAOYSA-N 1 2 498.212 4.397 20 0 JIADLO COc1cc[nH+]cc1Cn1c([C@H](C)Oc2ccccc2F)nnc1N(C)Cc1cscn1 ZINC001300694788 1067049586 /nfs/dbraw/zinc/04/95/86/1067049586.db2.gz XISINCXCRQJIAA-HNNXBMFYSA-N 1 2 454.531 4.102 20 0 JIADLO COc1cc[nH+]cc1Cn1c(C2CCCC2)nnc1N1CC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC001300696696 1067054493 /nfs/dbraw/zinc/05/44/93/1067054493.db2.gz GQTCDCRPBJFPMT-SFHVURJKSA-N 1 2 470.618 4.081 20 0 JIADLO COc1cc[nH+]cc1Cn1c(C2CCC2)nnc1N(C)Cc1cc(OC)c(OC)cc1SC ZINC001300697413 1067055321 /nfs/dbraw/zinc/05/53/21/1067055321.db2.gz RZNREAIDCJKNRS-UHFFFAOYSA-N 1 2 469.611 4.373 20 0 JIADLO CN(Cc1ccn(-c2ccccc2)n1)C(=O)[C@@H](c1cccc(Br)c1)[NH+]1CCCC1 ZINC001352017068 1067269487 /nfs/dbraw/zinc/26/94/87/1067269487.db2.gz FZTIZGNDUFGPLY-JOCHJYFZSA-N 1 2 453.384 4.430 20 0 JIADLO CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)[C@H]([NH2+]CC(=O)N1CCCC1)c1ccccc1 ZINC001322479404 1067298038 /nfs/dbraw/zinc/29/80/38/1067298038.db2.gz LMOMZCHQQBSKKA-XMMPIXPASA-N 1 2 491.613 4.484 20 0 JIADLO CS(=O)(=O)c1cccc([C@@H]([NH2+]Cc2ccc(N3CCCC3)nc2)c2ccc(F)c(F)c2)c1 ZINC001200844667 1067340413 /nfs/dbraw/zinc/34/04/13/1067340413.db2.gz KIHRURODCGWXPZ-XMMPIXPASA-N 1 2 457.546 4.243 20 0 JIADLO CO[C@@H]1CN(c2nnc(-c3cc(Br)c[nH]3)n2CCCc2cccc(C)[nH+]2)CC[C@H]1C ZINC001300793420 1067365555 /nfs/dbraw/zinc/36/55/55/1067365555.db2.gz FXVMMIOJEFZDPD-FOIQADDNSA-N 1 2 473.419 4.233 20 0 JIADLO CCN(C[C@@H]1COc2ccccc2O1)C(=O)[C@H](c1cccc(Br)c1)[NH+]1CCCC1 ZINC001352506087 1067453887 /nfs/dbraw/zinc/45/38/87/1067453887.db2.gz NIZASFDLKJKEOC-KNQAVFIVSA-N 1 2 459.384 4.275 20 0 JIADLO Cc1cc(C(=O)NCC[NH+]2CCN(c3cccc(Cl)c3)CC2)cc(C(=O)OC(C)(C)C)c1 ZINC001355621889 1067531964 /nfs/dbraw/zinc/53/19/64/1067531964.db2.gz NSCQXWCKRYELNU-UHFFFAOYSA-N 1 2 458.002 4.156 20 0 JIADLO C[C@H]1C[NH+](Cc2ccccc2NC(=O)C(F)(F)c2ncccc2Br)C[C@H](C)O1 ZINC001355720196 1067563202 /nfs/dbraw/zinc/56/32/02/1067563202.db2.gz JXZMWBRRYFLAKV-KBPBESRZSA-N 1 2 454.315 4.184 20 0 JIADLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)c1cc(Br)cc(Br)c1 ZINC001355848076 1067591610 /nfs/dbraw/zinc/59/16/10/1067591610.db2.gz FPKYYDSTQXFASR-UHFFFAOYSA-N 1 2 455.150 4.004 20 0 JIADLO COc1cccc2c1N(C(=O)C[N@H+](CCNC(=O)OC(C)(C)C)Cc1ccccc1)CCC2 ZINC001352651306 1067601137 /nfs/dbraw/zinc/60/11/37/1067601137.db2.gz RVWZZWBUCXOCOZ-UHFFFAOYSA-N 1 2 453.583 4.001 20 0 JIADLO COc1cccc2c1N(C(=O)C[N@@H+](CCNC(=O)OC(C)(C)C)Cc1ccccc1)CCC2 ZINC001352651306 1067601148 /nfs/dbraw/zinc/60/11/48/1067601148.db2.gz RVWZZWBUCXOCOZ-UHFFFAOYSA-N 1 2 453.583 4.001 20 0 JIADLO Cc1ccc(NC(=S)Nc2ccc(OCC[NH+]3CCOCC3)cc2)c(Br)c1 ZINC001200147438 1067758829 /nfs/dbraw/zinc/75/88/29/1067758829.db2.gz BAEISGMNNBYXGC-UHFFFAOYSA-N 1 2 450.402 4.277 20 0 JIADLO CCN(CC)S(=O)(=O)c1ccc(C[NH2+]Cc2cccc(Cl)c2Br)s1 ZINC001200151748 1067769907 /nfs/dbraw/zinc/76/99/07/1067769907.db2.gz KSCSOESGGRZFMJ-UHFFFAOYSA-N 1 2 451.839 4.484 20 0 JIADLO CC(C)(C)OC(=O)N1CCC(CCNC(=O)Nc2ccccc2OCCn2cc[nH+]c2)CC1 ZINC001200175580 1067809907 /nfs/dbraw/zinc/80/99/07/1067809907.db2.gz WIERYEQANOZTFH-UHFFFAOYSA-N 1 2 457.575 4.121 20 0 JIADLO CC[C@H](C)[C@@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)c1ccc2nc(C(F)(F)F)cn2c1 ZINC001357247039 1067824015 /nfs/dbraw/zinc/82/40/15/1067824015.db2.gz OYRMQRDDOFVZCN-JXFKEZNVSA-N 1 2 459.516 4.429 20 0 JIADLO CC[C@H](C)[C@@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)c1ccc2nc(C(F)(F)F)cn2c1 ZINC001357247039 1067824019 /nfs/dbraw/zinc/82/40/19/1067824019.db2.gz OYRMQRDDOFVZCN-JXFKEZNVSA-N 1 2 459.516 4.429 20 0 JIADLO CCCCN(C)c1ccc(NC(=O)N2CC[NH+]([C@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)cc1 ZINC001200196474 1067830660 /nfs/dbraw/zinc/83/06/60/1067830660.db2.gz GCIFRFUPGJDCBF-QFIPXVFZSA-N 1 2 459.635 4.082 20 0 JIADLO COC(=O)c1ccccc1C[NH+]1CCC(NS(=O)(=O)c2ccc(Cl)c3ccccc32)CC1 ZINC001200213734 1067850403 /nfs/dbraw/zinc/85/04/03/1067850403.db2.gz BZKFGBFRXUMJOG-UHFFFAOYSA-N 1 2 472.994 4.223 20 0 JIADLO COc1ccc(C[NH+]2CCN(c3nnc([C@H]4CCCCO4)n3C[C@@H](OC)C(C)(C)C)CC2)cc1F ZINC001300231823 1067916264 /nfs/dbraw/zinc/91/62/64/1067916264.db2.gz BKSCCWJIXZTKPJ-DHIUTWEWSA-N 1 2 489.636 4.051 20 0 JIADLO COc1ccc(C[NH+]2CCN(c3nnc(C4CCCC4)n3CCOC(C)(C)C)CC2)cc1F ZINC001300231884 1067916862 /nfs/dbraw/zinc/91/68/62/1067916862.db2.gz DOGSDKRWBZKGIM-UHFFFAOYSA-N 1 2 459.610 4.221 20 0 JIADLO CC(C)(C)OC(=O)NCC[N@H+](CC(=O)NCC(C)(C)c1ccccc1F)Cc1ccccc1 ZINC001357938899 1067951119 /nfs/dbraw/zinc/95/11/19/1067951119.db2.gz ZYERAOGLUGCDPV-UHFFFAOYSA-N 1 2 457.590 4.246 20 0 JIADLO CC(C)(C)OC(=O)NCC[N@@H+](CC(=O)NCC(C)(C)c1ccccc1F)Cc1ccccc1 ZINC001357938899 1067951127 /nfs/dbraw/zinc/95/11/27/1067951127.db2.gz ZYERAOGLUGCDPV-UHFFFAOYSA-N 1 2 457.590 4.246 20 0 JIADLO COc1ccc(F)cc1C[NH+]1CCN(c2nnc(CC(C)C)n2C[C@@]2(C)CCCS2)CC1 ZINC001300248312 1067983700 /nfs/dbraw/zinc/98/37/00/1067983700.db2.gz ZHVXZPDCLPUROB-XMMPIXPASA-N 1 2 461.651 4.232 20 0 JIADLO COc1ccc(-c2nc(C(=O)N[C@H](c3ccc(Cl)cc3)[C@@H]3C[N@H+](C)CCO3)cs2)cc1 ZINC001358071330 1068007836 /nfs/dbraw/zinc/00/78/36/1068007836.db2.gz DIUSPTMDLVHNAH-LEWJYISDSA-N 1 2 457.983 4.274 20 0 JIADLO COc1ccc(-c2nc(C(=O)N[C@H](c3ccc(Cl)cc3)[C@@H]3C[N@@H+](C)CCO3)cs2)cc1 ZINC001358071330 1068007854 /nfs/dbraw/zinc/00/78/54/1068007854.db2.gz DIUSPTMDLVHNAH-LEWJYISDSA-N 1 2 457.983 4.274 20 0 JIADLO CN(c1nc(C(=O)N[C@@H](c2ccc(Cl)cc2)[C@@H]2C[N@H+](C)CCO2)cs1)c1ccccc1 ZINC001358073760 1068011978 /nfs/dbraw/zinc/01/19/78/1068011978.db2.gz XXPSYJHPRWCYKU-SFTDATJTSA-N 1 2 456.999 4.366 20 0 JIADLO CN(c1nc(C(=O)N[C@@H](c2ccc(Cl)cc2)[C@@H]2C[N@@H+](C)CCO2)cs1)c1ccccc1 ZINC001358073760 1068011993 /nfs/dbraw/zinc/01/19/93/1068011993.db2.gz XXPSYJHPRWCYKU-SFTDATJTSA-N 1 2 456.999 4.366 20 0 JIADLO C[C@@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)CN(Cc1ccccc1)c1ccccc1 ZINC001358434761 1068090411 /nfs/dbraw/zinc/09/04/11/1068090411.db2.gz VFGMTKXXZYSIKD-VWLOTQADSA-N 1 2 457.618 4.443 20 0 JIADLO Cc1c(-c2ccccc2)sc(NC(=O)C[N@@H+]2CCC(C)=C(C)C2)c1C(=O)N1CCOCC1 ZINC001473431473 1068173244 /nfs/dbraw/zinc/17/32/44/1068173244.db2.gz FQOFULIIHNQOSI-UHFFFAOYSA-N 1 2 453.608 4.177 20 0 JIADLO Cc1c(-c2ccccc2)sc(NC(=O)C[N@H+]2CCC(C)=C(C)C2)c1C(=O)N1CCOCC1 ZINC001473431473 1068173271 /nfs/dbraw/zinc/17/32/71/1068173271.db2.gz FQOFULIIHNQOSI-UHFFFAOYSA-N 1 2 453.608 4.177 20 0 JIADLO CN(C)c1cc(C(F)(F)F)nc(NCc2cc[nH+]c(N3CCN(c4ccc(F)cc4)CC3)c2)n1 ZINC000613547206 1068294014 /nfs/dbraw/zinc/29/40/14/1068294014.db2.gz LHCLDHPGOSUIHL-UHFFFAOYSA-N 1 2 475.494 4.034 20 0 JIADLO O=C(Cc1sc(-c2ccccc2)nc1-c1cccs1)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000519504211 1068316635 /nfs/dbraw/zinc/31/66/35/1068316635.db2.gz DMCIGTBWPJGJNR-UHFFFAOYSA-N 1 2 479.631 4.249 20 0 JIADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)c1c2c(nc3ccccc31)/C(=C\c1ccco1)CC2 ZINC000520187907 1068322185 /nfs/dbraw/zinc/32/21/85/1068322185.db2.gz MDVRZPRCODEOBK-HNENSFHCSA-N 1 2 469.545 4.096 20 0 JIADLO Cc1nc(NCc2cccc(C(=O)N3CCC[C@@H](CNC(=O)Nc4cccc(F)c4)C3)c2)cc[nH+]1 ZINC000622346816 1068360789 /nfs/dbraw/zinc/36/07/89/1068360789.db2.gz RVRFOTZDLRFZES-FQEVSTJZSA-N 1 2 476.556 4.210 20 0 JIADLO Cc1nc(NCc2cccc(C(=O)N3CCC[C@H](CNC(=O)Nc4cccc(F)c4)C3)c2)cc[nH+]1 ZINC000622346817 1068361046 /nfs/dbraw/zinc/36/10/46/1068361046.db2.gz RVRFOTZDLRFZES-HXUWFJFHSA-N 1 2 476.556 4.210 20 0 JIADLO Cc1nc(NCc2cccc(C(=O)N[C@@H]3CCN(c4ncc(C(F)(F)F)cc4Cl)C3)c2)cc[nH+]1 ZINC000622430654 1068361952 /nfs/dbraw/zinc/36/19/52/1068361952.db2.gz HWHQFPKMVUGPIA-GOSISDBHSA-N 1 2 490.917 4.473 20 0 JIADLO Cc1nc(NCc2cccc(C(=O)N[C@@H]3CCN(c4ccc(Cl)c(Cl)c4)C3=O)c2)cc[nH+]1 ZINC000622491996 1068362325 /nfs/dbraw/zinc/36/23/25/1068362325.db2.gz KQKIUBISRVUPGD-HXUWFJFHSA-N 1 2 470.360 4.239 20 0 JIADLO CCOc1ccccc1C[N@@H+]1CCN(C(=O)c2cccc(CNc3ccnc(C)n3)c2)[C@@H](C)C1 ZINC000622582556 1068364465 /nfs/dbraw/zinc/36/44/65/1068364465.db2.gz VUNUFRRLVUGTTO-FQEVSTJZSA-N 1 2 459.594 4.142 20 0 JIADLO CCOc1ccccc1C[N@H+]1CCN(C(=O)c2cccc(CNc3ccnc(C)n3)c2)[C@@H](C)C1 ZINC000622582556 1068364480 /nfs/dbraw/zinc/36/44/80/1068364480.db2.gz VUNUFRRLVUGTTO-FQEVSTJZSA-N 1 2 459.594 4.142 20 0 JIADLO Cc1nc(NCc2cccc(C(=O)N3CCN(C(=O)Nc4cccc(C(F)(F)F)c4)CC3)c2)cc[nH+]1 ZINC000622567908 1068364524 /nfs/dbraw/zinc/36/45/24/1068364524.db2.gz GRUFSYIZQVCVFO-UHFFFAOYSA-N 1 2 498.509 4.406 20 0 JIADLO COc1cccc(-c2nnc(N(C)CCC(F)F)n2C[C@H](c2cccs2)[NH+]2CCOCC2)c1 ZINC001300351926 1068364725 /nfs/dbraw/zinc/36/47/25/1068364725.db2.gz CPZBIMGEHBSRCP-LJQANCHMSA-N 1 2 477.581 4.180 20 0 JIADLO O=C(NCc1cc[nH+]c(N2CCN(c3ccc(F)cc3)CC2)c1)Nc1ccn(-c2ccccc2)n1 ZINC000503192213 1068414323 /nfs/dbraw/zinc/41/43/23/1068414323.db2.gz VKTORSXSCXQZPK-UHFFFAOYSA-N 1 2 471.540 4.055 20 0 JIADLO COc1cccc(-c2nnc(N3CCC(NC(=O)C(C)C)CC3)n2CCCc2cccc(C)[nH+]2)c1 ZINC001300374108 1068438004 /nfs/dbraw/zinc/43/80/04/1068438004.db2.gz CYXNYJLZKDMOEM-UHFFFAOYSA-N 1 2 476.625 4.031 20 0 JIADLO CC[NH+](CC)Cc1csc(NC(=O)c2ccc(OC)c(S(=O)(=O)N[C@@H]3CCCC[C@@H]3C)c2)n1 ZINC001353719837 1068508303 /nfs/dbraw/zinc/50/83/03/1068508303.db2.gz QMQUZXLZWBKVEB-QFBILLFUSA-N 1 2 494.683 4.103 20 0 JIADLO Cc1cccc(NC(=O)CN(C[C@@H]2CCCO2)C(=O)[C@@H](c2ccc(Cl)cc2)[NH+](C)C)c1C ZINC001353719966 1068509608 /nfs/dbraw/zinc/50/96/08/1068509608.db2.gz LNGQCSSZDLDCKG-XUZZJYLKSA-N 1 2 458.002 4.206 20 0 JIADLO COc1cccc(CNC(=S)NCc2c[nH+]cn2Cc2ccc(C(F)(F)F)cc2)c1OC ZINC001200527961 1068826809 /nfs/dbraw/zinc/82/68/09/1068826809.db2.gz FPOCBIVFEOPIJR-UHFFFAOYSA-N 1 2 464.513 4.132 20 0 JIADLO C[C@@H](NC(=O)c1ncoc1-c1cccc(C(F)(F)F)c1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001354157681 1068938477 /nfs/dbraw/zinc/93/84/77/1068938477.db2.gz VGQWSOOKCAEMKE-OXQOHEQNSA-N 1 2 459.468 4.380 20 0 JIADLO C[C@@H](NC(=O)c1ncoc1-c1cccc(C(F)(F)F)c1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001354157681 1068938489 /nfs/dbraw/zinc/93/84/89/1068938489.db2.gz VGQWSOOKCAEMKE-OXQOHEQNSA-N 1 2 459.468 4.380 20 0 JIADLO Cc1ccccc1-c1nnc(N2CCN(c3cccc[nH+]3)CC2)n1C[C@H](C)CNC(=O)OC(C)(C)C ZINC001492569327 1068969996 /nfs/dbraw/zinc/96/99/96/1068969996.db2.gz SYVZJSVTKCRZLW-HXUWFJFHSA-N 1 2 491.640 4.136 20 0 JIADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)[C@H]1CC(=O)N(C)[C@H]1c1cccc(Cl)c1 ZINC001354465932 1069240496 /nfs/dbraw/zinc/24/04/96/1069240496.db2.gz SIKPFPKQBGNSDX-URXFXBBRSA-N 1 2 455.002 4.020 20 0 JIADLO FC(F)(Cc1nc(Cl)cc(Cl)n1)N1CCO[C@@H](c2[nH+]cn3c2cccc3Br)C1 ZINC001164415821 718890403 /nfs/dbraw/zinc/89/04/03/718890403.db2.gz BZLUPZCWPVUCMS-LLVKDONJSA-N 1 2 493.139 4.402 20 0 JIADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nc(Cl)nc3ncccc31)CC2 ZINC001164663432 719346996 /nfs/dbraw/zinc/34/69/96/719346996.db2.gz GPGMHRDYGVMPKP-UHFFFAOYSA-N 1 2 459.985 4.373 20 0 JIADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nc(Cl)nc3ncccc31)CC2 ZINC001164663432 719346999 /nfs/dbraw/zinc/34/69/99/719346999.db2.gz GPGMHRDYGVMPKP-UHFFFAOYSA-N 1 2 459.985 4.373 20 0 JIADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ccnc(-c3nccs3)n1)CC2 ZINC001164663498 719355816 /nfs/dbraw/zinc/35/58/16/719355816.db2.gz GRNHRTIZEAPIGH-UHFFFAOYSA-N 1 2 457.607 4.295 20 0 JIADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ccnc(-c3nccs3)n1)CC2 ZINC001164663498 719355818 /nfs/dbraw/zinc/35/58/18/719355818.db2.gz GRNHRTIZEAPIGH-UHFFFAOYSA-N 1 2 457.607 4.295 20 0 JIADLO COc1ccc(-c2ccc(N3CCC4(CC3)COCC[N@@H+]4Cc3ccc(F)cc3)nn2)c(OC)c1 ZINC001164677878 719524965 /nfs/dbraw/zinc/52/49/65/719524965.db2.gz HVRGLVZGJUORDC-UHFFFAOYSA-N 1 2 478.568 4.171 20 0 JIADLO COc1ccc(-c2ccc(N3CCC4(CC3)COCC[N@H+]4Cc3ccc(F)cc3)nn2)c(OC)c1 ZINC001164677878 719524976 /nfs/dbraw/zinc/52/49/76/719524976.db2.gz HVRGLVZGJUORDC-UHFFFAOYSA-N 1 2 478.568 4.171 20 0 JIADLO Cc1cc(OCc2ccccc2)nc(N2CCC3(CC2)COCC[N@@H+]3Cc2ccc(F)cc2)n1 ZINC001164677044 719527350 /nfs/dbraw/zinc/52/73/50/719527350.db2.gz AYKQXXVKDSIPSC-UHFFFAOYSA-N 1 2 462.569 4.375 20 0 JIADLO Cc1cc(OCc2ccccc2)nc(N2CCC3(CC2)COCC[N@H+]3Cc2ccc(F)cc2)n1 ZINC001164677044 719527358 /nfs/dbraw/zinc/52/73/58/719527358.db2.gz AYKQXXVKDSIPSC-UHFFFAOYSA-N 1 2 462.569 4.375 20 0 JIADLO NC(=O)c1ccc(-c2c[nH+]c3n2CCC32CCN(C(F)(F)c3cnc(Cl)nc3Cl)CC2)cc1 ZINC001164695831 719830051 /nfs/dbraw/zinc/83/00/51/719830051.db2.gz GBMNJNIVAOQYGC-UHFFFAOYSA-N 1 2 493.345 4.233 20 0 JIADLO Cc1nc(C(F)(F)N2CCC3(CCn4c(-c5ccc(C(N)=O)cc5)c[nH+]c43)CC2)nc(Cl)c1C ZINC001164699975 719830101 /nfs/dbraw/zinc/83/01/01/719830101.db2.gz ZECPBTSQYLHTHB-UHFFFAOYSA-N 1 2 486.954 4.196 20 0 JIADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ccc2cc(OCc3ccccc3)ccc2n1 ZINC001164705112 719859033 /nfs/dbraw/zinc/85/90/33/719859033.db2.gz SWLTWRLEXFASHL-QDPGVEIFSA-N 1 2 475.589 4.047 20 0 JIADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1cc(C)nc(-c2ccc(-c3ccccc3)cc2)n1 ZINC001164708012 719873932 /nfs/dbraw/zinc/87/39/32/719873932.db2.gz XFSLPYOJLVDLHV-ABYGYWHVSA-N 1 2 486.616 4.352 20 0 JIADLO CC(=O)NC[C@H]1c2[nH+]cn(C(C)C)c2CCN1C(F)(F)c1ccc2c(Cl)nc(Cl)nc2c1 ZINC001164724600 720313837 /nfs/dbraw/zinc/31/38/37/720313837.db2.gz RWNYKBZAADWDBK-KRWDZBQOSA-N 1 2 483.350 4.499 20 0 JIADLO CC(=O)NC[C@@H]1c2[nH+]cn(C(C)C)c2CCN1C(F)(F)Oc1ccc2nc(Cl)c(Cl)nc2c1 ZINC001164724955 720314435 /nfs/dbraw/zinc/31/44/35/720314435.db2.gz TVHUPABRZOXBFQ-QGZVFWFLSA-N 1 2 499.349 4.379 20 0 JIADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4nc(Cl)cc5ccc(C)cc54)CC3)C2=O)cs1 ZINC001164820628 720374658 /nfs/dbraw/zinc/37/46/58/720374658.db2.gz QFDULBRRBSVQHM-UHFFFAOYSA-N 1 2 470.042 4.275 20 0 JIADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4nc(Cl)cc5ccc(C)cc54)CC3)C2=O)cs1 ZINC001164820628 720374667 /nfs/dbraw/zinc/37/46/67/720374667.db2.gz QFDULBRRBSVQHM-UHFFFAOYSA-N 1 2 470.042 4.275 20 0 JIADLO CC[C@H](C)c1nc(Cl)c(C)c(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@H+]3C)n1 ZINC001164827196 720384577 /nfs/dbraw/zinc/38/45/77/720384577.db2.gz ZWFNOLDNKRCBKL-HNNXBMFYSA-N 1 2 477.078 4.030 20 0 JIADLO CC[C@H](C)c1nc(Cl)c(C)c(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@@H+]3C)n1 ZINC001164827196 720384582 /nfs/dbraw/zinc/38/45/82/720384582.db2.gz ZWFNOLDNKRCBKL-HNNXBMFYSA-N 1 2 477.078 4.030 20 0 JIADLO O=c1cc(Cn2cc[nH+]c2)nc2n1CCCN(C(F)(F)c1ccc3nc(Cl)cc(Cl)c3c1)C2 ZINC001164855398 720895569 /nfs/dbraw/zinc/89/55/69/720895569.db2.gz BSHKVBUNLQPWTP-UHFFFAOYSA-N 1 2 491.329 4.298 20 0 JIADLO Fc1cccc2c(Cl)nc(C(F)(F)N3Cc4c[nH+]cn4C[C@H](COc4cccnc4)C3)nc12 ZINC001164763762 721273295 /nfs/dbraw/zinc/27/32/95/721273295.db2.gz GDPYERVBYZYDJM-AWEZNQCLSA-N 1 2 474.874 4.274 20 0 JIADLO FC(F)(Oc1ccc2c(Cl)ncnc2c1)N1Cc2c[nH+]cn2C[C@H](COc2cccnc2)C1 ZINC001164767052 721275097 /nfs/dbraw/zinc/27/50/97/721275097.db2.gz DXJPBELBIGSSKW-HNNXBMFYSA-N 1 2 472.883 4.015 20 0 JIADLO FC(F)(c1cc(Cl)nc(-c2cccnc2)n1)N1Cc2c[nH+]cn2C[C@H](COc2cccnc2)C1 ZINC001164769131 721275554 /nfs/dbraw/zinc/27/55/54/721275554.db2.gz PGSWZSBDEILHOS-INIZCTEOSA-N 1 2 483.910 4.044 20 0 JIADLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(C(F)(F)c1nc(Cl)c3cc(Cl)ccc3n1)C2 ZINC001165011241 721698188 /nfs/dbraw/zinc/69/81/88/721698188.db2.gz ZYAMIVFGKCYAPF-UHFFFAOYSA-N 1 2 470.355 4.324 20 0 JIADLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(C(F)(F)c1nc(Cl)c3cc(Cl)ccc3n1)C2 ZINC001165011241 721698193 /nfs/dbraw/zinc/69/81/93/721698193.db2.gz ZYAMIVFGKCYAPF-UHFFFAOYSA-N 1 2 470.355 4.324 20 0 JIADLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(C(F)(F)Oc1ccc3nc(Cl)c(Cl)nc3c1)C2 ZINC001165010285 721702355 /nfs/dbraw/zinc/70/23/55/721702355.db2.gz GTGKLIRIYKPTDK-UHFFFAOYSA-N 1 2 486.354 4.203 20 0 JIADLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(C(F)(F)Oc1ccc3nc(Cl)c(Cl)nc3c1)C2 ZINC001165010285 721702356 /nfs/dbraw/zinc/70/23/56/721702356.db2.gz GTGKLIRIYKPTDK-UHFFFAOYSA-N 1 2 486.354 4.203 20 0 JIADLO Cc1cnc2n1CC[N@@H+](C)C21CCN(C(F)(F)c2ccc(-c3ccc(Cl)nn3)cc2)CC1 ZINC001164919045 721819432 /nfs/dbraw/zinc/81/94/32/721819432.db2.gz YYMRDSFCYOAWPF-UHFFFAOYSA-N 1 2 458.944 4.288 20 0 JIADLO Cc1cnc2n1CC[N@H+](C)C21CCN(C(F)(F)c2ccc(-c3ccc(Cl)nn3)cc2)CC1 ZINC001164919045 721819435 /nfs/dbraw/zinc/81/94/35/721819435.db2.gz YYMRDSFCYOAWPF-UHFFFAOYSA-N 1 2 458.944 4.288 20 0 JIADLO Cc1cnc2n1CC[N@@H+](C)C21CCN(C(F)(F)c2cnc(Cl)c(-c3ccncc3)c2)CC1 ZINC001164919947 721820913 /nfs/dbraw/zinc/82/09/13/721820913.db2.gz ZFZCRQVPUVNAMR-UHFFFAOYSA-N 1 2 458.944 4.288 20 0 JIADLO Cc1cnc2n1CC[N@H+](C)C21CCN(C(F)(F)c2cnc(Cl)c(-c3ccncc3)c2)CC1 ZINC001164919947 721820916 /nfs/dbraw/zinc/82/09/16/721820916.db2.gz ZFZCRQVPUVNAMR-UHFFFAOYSA-N 1 2 458.944 4.288 20 0 JIADLO O=C1NCC[N@H+](Cc2ccccc2)C12CCN(c1nc(-c3ccccc3)nc(-c3ccccc3)n1)CC2 ZINC001164943796 721973438 /nfs/dbraw/zinc/97/34/38/721973438.db2.gz FLUBHPRBSOEFEP-UHFFFAOYSA-N 1 2 490.611 4.177 20 0 JIADLO O=C1NCC[N@@H+](Cc2ccccc2)C12CCN(c1nc(-c3ccccc3)nc(-c3ccccc3)n1)CC2 ZINC001164943796 721973441 /nfs/dbraw/zinc/97/34/41/721973441.db2.gz FLUBHPRBSOEFEP-UHFFFAOYSA-N 1 2 490.611 4.177 20 0 JIADLO c1ccc(C[N@@H+]2CCc3ncnc(N4CCC[C@]5(C[C@H](OCC6CCCC6)CO5)C4)c3C2)cc1 ZINC001164981902 722164221 /nfs/dbraw/zinc/16/42/21/722164221.db2.gz SXKXLMYNTFYXMK-CUBQBAPOSA-N 1 2 462.638 4.370 20 0 JIADLO c1ccc(C[N@H+]2CCc3ncnc(N4CCC[C@]5(C[C@H](OCC6CCCC6)CO5)C4)c3C2)cc1 ZINC001164981902 722164224 /nfs/dbraw/zinc/16/42/24/722164224.db2.gz SXKXLMYNTFYXMK-CUBQBAPOSA-N 1 2 462.638 4.370 20 0 JIADLO COc1ccccc1OCc1nnc(N2CCN(c3cccc[nH+]3)CC2)n1C[C@H](SC)C(C)(C)C ZINC001300651588 1069336540 /nfs/dbraw/zinc/33/65/40/1069336540.db2.gz FWBYMSRHMSTLSD-QFIPXVFZSA-N 1 2 496.681 4.365 20 0 JIADLO FC(F)(F)Oc1cc(Br)ccc1NC(=S)N1CC([NH+]2CCC(F)(F)CC2)C1 ZINC001200710401 1069350758 /nfs/dbraw/zinc/35/07/58/1069350758.db2.gz ASOWEEHYRXPUAO-UHFFFAOYSA-N 1 2 474.293 4.460 20 0 JIADLO CC(C)(C)c1nnc(N2CCC([C@@](C)(O)C(F)(F)F)CC2)n1Cc1cccc(Cn2cc[nH+]c2)c1 ZINC001359503258 1069769495 /nfs/dbraw/zinc/76/94/95/1069769495.db2.gz MCBQOQDSEYLQHG-XMMPIXPASA-N 1 2 490.574 4.398 20 0 JIADLO CC(C)(C)c1nnc(N2CCC[C@@H](C(F)(F)F)C2)n1C[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001359509379 1069787421 /nfs/dbraw/zinc/78/74/21/1069787421.db2.gz WRTGMNNJCQTQSK-WOJBJXKFSA-N 1 2 465.564 4.255 20 0 JIADLO CC(C)(C)c1nnc(N2CCC[C@@H](C(F)(F)F)C2)n1C[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001359509379 1069787446 /nfs/dbraw/zinc/78/74/46/1069787446.db2.gz WRTGMNNJCQTQSK-WOJBJXKFSA-N 1 2 465.564 4.255 20 0 JIADLO CC(C)=CCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1 ZINC001359606312 1070066552 /nfs/dbraw/zinc/06/65/52/1070066552.db2.gz HOOFFRDOLQWJGX-YADHBBJMSA-N 1 2 498.647 4.046 20 0 JIADLO CC(C)[C@H](Cn1c(CC(C)(C)C)nnc1N1CCN([C@H](C)c2ccsc2)CC1)[NH+]1CCOCC1 ZINC001359664089 1070290109 /nfs/dbraw/zinc/29/01/09/1070290109.db2.gz ZIRVMRDFVHSWKJ-GGAORHGYSA-N 1 2 488.746 4.168 20 0 JIADLO CC(C)c1nnc(N2CCC([C@](C)(O)C(F)(F)F)CC2)n1Cc1ccc(N2CCCCC2)[nH+]c1 ZINC001359691895 1070349529 /nfs/dbraw/zinc/34/95/29/1070349529.db2.gz BBCALHZYSPZGOA-QHCPKHFHSA-N 1 2 480.579 4.365 20 0 JIADLO COc1ccc(C[NH+]2CCN(c3nnc(CC(C)C)n3C[C@H]3CCSC3(C)C)CC2)cc1F ZINC001315504857 1064416530 /nfs/dbraw/zinc/41/65/30/1064416530.db2.gz KVPFNWKFDQDQIO-HXUWFJFHSA-N 1 2 475.678 4.478 20 0 JIADLO COc1cccc(-c2nnc(N(C)CCC(F)F)n2Cc2cc[nH+]c(N3CCCCC3)c2)c1 ZINC001315557288 1064577758 /nfs/dbraw/zinc/57/77/58/1064577758.db2.gz VDUOVOUFMWWQNT-UHFFFAOYSA-N 1 2 456.541 4.479 20 0 JIADLO COc1ccccc1Cc1nnc(N(C)CCOC(C)(C)C)n1CCc1cn2ccccc2[nH+]1 ZINC001315619561 1064752426 /nfs/dbraw/zinc/75/24/26/1064752426.db2.gz ZZXRNEHRDPDZJE-UHFFFAOYSA-N 1 2 462.598 4.019 20 0 JIADLO COc1cc[nH+]cc1Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[C@@H](CC(C)C)C1 ZINC001315668977 1064894129 /nfs/dbraw/zinc/89/41/29/1064894129.db2.gz FQMHCRLHLCGMMW-SFHVURJKSA-N 1 2 451.571 4.287 20 0 JIADLO COc1cc[nH+]cc1Cn1c(-c2ccccc2Cl)nnc1N1C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001315669463 1064896739 /nfs/dbraw/zinc/89/67/39/1064896739.db2.gz LOJRTABNWNANTF-UZLBHIALSA-N 1 2 499.015 4.400 20 0 JIADLO COc1cc[nH+]cc1Cn1c(-c2ccc(C)c(Br)c2)nnc1N1C[C@H](C)O[C@@H](C)C1 ZINC001315669862 1064898019 /nfs/dbraw/zinc/89/80/19/1064898019.db2.gz PHWNKNQYPUPWJR-HOTGVXAUSA-N 1 2 472.387 4.082 20 0 JIADLO COc1cc[nH+]cc1Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@H](C(C)C)C1 ZINC001315671797 1064901635 /nfs/dbraw/zinc/90/16/35/1064901635.db2.gz KGLQBRGXDHCJNY-PMACEKPBSA-N 1 2 484.645 4.327 20 0 JIADLO COc1cc[nH+]cc1Cn1c(C2CCCC2)nnc1N(CCO)Cc1ccc(Br)s1 ZINC001315672964 1064903954 /nfs/dbraw/zinc/90/39/54/1064903954.db2.gz VSTYSLJIEJCXLA-UHFFFAOYSA-N 1 2 492.443 4.211 20 0 JIADLO COc1cc[nH+]cc1Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1C[C@@H](C)CC[C@H]1C ZINC001315673209 1064904996 /nfs/dbraw/zinc/90/49/96/1064904996.db2.gz VMYVHQYNGFPORQ-HLNWXESRSA-N 1 2 470.618 4.126 20 0 JIADLO CO[C@H]1CN(c2nnc([C@@H](C)Oc3ccccc3F)n2CCCNc2cccc[nH+]2)CC1(C)C ZINC001315711643 1064990356 /nfs/dbraw/zinc/99/03/56/1064990356.db2.gz CWNCGWXUMXBDMS-NQIIRXRSSA-N 1 2 468.577 4.316 20 0 JIADLO CO[C@H]1CN(c2nnc(COc3cc(C)ccc3C)n2CCCNc2cccc[nH+]2)CC1(C)C ZINC001315736917 1065040414 /nfs/dbraw/zinc/04/04/14/1065040414.db2.gz RCSKSZQLXWXUKQ-QFIPXVFZSA-N 1 2 464.614 4.232 20 0 JIADLO COCC(C)(C)CCCn1c(-c2ccccc2F)nnc1N1CC[C@H]([NH+]2CCN(C(C)C)CC2)C1 ZINC001315757613 1065061956 /nfs/dbraw/zinc/06/19/56/1065061956.db2.gz JWOJUAPSULRSNG-QFIPXVFZSA-N 1 2 486.680 4.142 20 0 JIADLO COC[C@H](C)Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCc2c(cc[nH+]c2N(C)C)C1 ZINC001315772491 1065095553 /nfs/dbraw/zinc/09/55/53/1065095553.db2.gz AZWKGNLDBQVJJY-LJQANCHMSA-N 1 2 494.640 4.047 20 0 JIADLO COC[C@H]1CCCCN(c2nnc(Cc3ccccn3)n2C[C@H](c2c(F)cccc2F)[NH+](C)C)C1 ZINC001315883908 1065327321 /nfs/dbraw/zinc/32/73/21/1065327321.db2.gz WEIRYICFWJOTMH-WMZHIEFXSA-N 1 2 484.595 4.098 20 0 JIADLO COC[C@@H]1CCCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@H](c2c(F)cccc2F)[NH+](C)C)C1 ZINC001315890173 1065346453 /nfs/dbraw/zinc/34/64/53/1065346453.db2.gz IAGHUXOXMDAAPG-OXQOHEQNSA-N 1 2 490.986 4.437 20 0 JIADLO COC[C@H]1CCCN(c2nnc(-c3ccc(C)c(Br)c3)n2Cc2ccc(N(C)C)[nH+]c2)C1 ZINC001315897784 1065365967 /nfs/dbraw/zinc/36/59/67/1065365967.db2.gz YKOUXOBGKGFOIP-IBGZPJMESA-N 1 2 499.457 4.388 20 0 JIADLO COCC1CCN(c2nnc(CC(C)(C)C)n2C[C@@H](c2cccc(C)c2)[NH+]2CCOCC2)CC1 ZINC001315914578 1065409975 /nfs/dbraw/zinc/40/99/75/1065409975.db2.gz CRKZWVQWMVEOBM-DEOSSOPVSA-N 1 2 469.674 4.111 20 0 JIADLO COCC1CCN(c2nnc(CSc3ccc(C)cc3)n2Cc2c[nH+]ccc2OC)CC1 ZINC001315921813 1065429881 /nfs/dbraw/zinc/42/98/81/1065429881.db2.gz QSUQTJQHCIWNOM-UHFFFAOYSA-N 1 2 453.612 4.194 20 0 JIADLO COCCCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCc2c(cc[nH+]c2N(C)C)C1 ZINC001316046504 1065663897 /nfs/dbraw/zinc/66/38/97/1065663897.db2.gz KIPXAVAIXMCLLV-UHFFFAOYSA-N 1 2 491.423 4.224 20 0 JIADLO COCCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1c[nH+]ccc1OC)[C@H]1CC[C@@H](C)C1 ZINC001316080113 1065725587 /nfs/dbraw/zinc/72/55/87/1065725587.db2.gz AVDWAJMBMWWFMP-ZVXPMLRVSA-N 1 2 471.646 4.290 20 0 JIADLO COCCO[C@H](C)c1nnc(N2C[C@H](C)CC(C)(C)C2)n1C[C@H](c1cccc(C)c1)[NH+]1CCOCC1 ZINC001316160179 1065826281 /nfs/dbraw/zinc/82/62/81/1065826281.db2.gz HBMRYXBLRNIVOH-VDKIKQQVSA-N 1 2 499.700 4.256 20 0 JIADLO COCCO[C@H](C)c1nnc(N2CCC(C)(C)CC2)n1Cc1cc[nH+]c(N2CCCCC2)c1 ZINC001316170521 1065842543 /nfs/dbraw/zinc/84/25/43/1065842543.db2.gz MJJQIZPZBGWINH-HXUWFJFHSA-N 1 2 456.635 4.062 20 0 JIADLO COCCO[C@@H](C)c1nnc(N2CCCC(C)(C)C2)n1C[C@@H](c1cccc(C)c1)[NH+]1CCOCC1 ZINC001316188294 1065876815 /nfs/dbraw/zinc/87/68/15/1065876815.db2.gz IIHBOPUFVBISAA-UPVQGACJSA-N 1 2 485.673 4.010 20 0 JIADLO COCCO[C@@H](C)c1nnc(N2CCC[C@@H](C(F)(F)F)C2)n1Cc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC001316190705 1065880577 /nfs/dbraw/zinc/88/05/77/1065880577.db2.gz RXBBGNBGOCFOFX-FUHWJXTLSA-N 1 2 496.509 4.154 20 0 JIADLO COCCO[C@H](C)c1nnc(N2CCCC2(C)C)n1Cc1ccc(N2CCC(C)CC2)[nH+]c1 ZINC001316193307 1065885888 /nfs/dbraw/zinc/88/58/88/1065885888.db2.gz NNZCYMPOQWUCBU-HXUWFJFHSA-N 1 2 456.635 4.061 20 0 JIADLO COCCOc1ccccc1Cn1c(CC(C)(C)C)nnc1N1CC[NH+](Cc2cnc(C)s2)CC1 ZINC001316225026 1065942478 /nfs/dbraw/zinc/94/24/78/1065942478.db2.gz CLXQSQLQHXIYSW-UHFFFAOYSA-N 1 2 498.697 4.027 20 0 JIADLO CON(C)c1nnc(COc2cc(C)ccc2C(C)C)n1Cc1ccc(N2CCCC2)[nH+]c1 ZINC001316310129 1066066905 /nfs/dbraw/zinc/06/69/05/1066066905.db2.gz PHKDRBHPZUEXAK-UHFFFAOYSA-N 1 2 450.587 4.330 20 0 JIADLO CSC(C)(C)Cn1c(-c2cccnc2)nnc1N(C)C[C@H](c1cccs1)[NH+]1CCOCC1 ZINC001316368181 1066113193 /nfs/dbraw/zinc/11/31/93/1066113193.db2.gz WMWOBRSLVWLXAT-LJQANCHMSA-N 1 2 472.684 4.053 20 0 JIADLO CS[C@H](Cn1c(Cc2ccccc2F)nnc1N1CC[NH+](Cc2cc(C)no2)CC1)C(C)(C)C ZINC001316393254 1066168763 /nfs/dbraw/zinc/16/87/63/1066168763.db2.gz HUQHUKMCBOEXIB-JOCHJYFZSA-N 1 2 486.661 4.404 20 0 JIADLO C[C@]1(c2ccc(OC(F)(F)F)cc2)NC(=O)N(C[NH+]2CCC(c3nc4ccccc4o3)CC2)C1=O ZINC001325683811 1066260896 /nfs/dbraw/zinc/26/08/96/1066260896.db2.gz KIASFQSWEVAZDW-HSZRJFAPSA-N 1 2 488.466 4.331 20 0 JIADLO Cc1cccc(-c2nnc(N(C)Cc3nc(C(F)(F)F)cs3)n2Cc2ccc(N(C)C)[nH+]c2)n1 ZINC001492500524 1066285439 /nfs/dbraw/zinc/28/54/39/1066285439.db2.gz IDBMBFQYZIIDOI-UHFFFAOYSA-N 1 2 488.543 4.270 20 0 JIADLO CSC[C@@H]1CCCN1c1nnc([C@H]2CCCO2)n1C[C@@H](c1c(F)cccc1F)[NH+](C)C ZINC001316442568 1066305555 /nfs/dbraw/zinc/30/55/55/1066305555.db2.gz MKLHAGUZEHVYHW-ZYSHUDEJSA-N 1 2 451.587 4.043 20 0 JIADLO Cc1cccc(CCCn2c(C(=O)Nc3ccc(C)c(C)c3)nnc2N(C)CC2CCOCC2)[nH+]1 ZINC001492525029 1066400924 /nfs/dbraw/zinc/40/09/24/1066400924.db2.gz FWTVAFOQDWSVPZ-UHFFFAOYSA-N 1 2 476.625 4.346 20 0 JIADLO Cc1cccc(CCCn2c(-c3cccc(OC(F)F)c3)nnc2N2C[C@H](C)O[C@@H](C)C2)[nH+]1 ZINC001492525259 1066404576 /nfs/dbraw/zinc/40/45/76/1066404576.db2.gz OCISIYUVIFTPSN-ROUUACIJSA-N 1 2 457.525 4.496 20 0 JIADLO Cc1nnc(N2CCO[C@@H](c3ccccc3Br)C2)n1CCCc1cccc(C)[nH+]1 ZINC001492525551 1066405748 /nfs/dbraw/zinc/40/57/48/1066405748.db2.gz TYPBGQUBHKNMAK-OAQYLSRUSA-N 1 2 456.388 4.263 20 0 JIADLO Cc1cccc(CCCn2c(-c3cc(Br)cn3C)nnc2N2CCO[C@@H](C(C)C)C2)[nH+]1 ZINC001492525517 1066405875 /nfs/dbraw/zinc/40/58/75/1066405875.db2.gz SMICMEOJVSSNLZ-OAQYLSRUSA-N 1 2 487.446 4.244 20 0 JIADLO Cc1cccc(CCCn2c(-c3ccc(Br)cc3)nnc2N(C)CC(=O)NC(C)C)[nH+]1 ZINC001492525881 1066409214 /nfs/dbraw/zinc/40/92/14/1066409214.db2.gz ZAKYJHQTWKRSMO-UHFFFAOYSA-N 1 2 485.430 4.005 20 0 JIADLO Cc1cccc(CCCn2c(Cc3ccsc3)nnc2N2CCC[C@H](NC(=O)C(C)(C)C)C2)[nH+]1 ZINC001492526810 1066417712 /nfs/dbraw/zinc/41/77/12/1066417712.db2.gz MKXRVYCGPGPLIQ-QFIPXVFZSA-N 1 2 480.682 4.398 20 0 JIADLO Cc1cccc(CCCn2c(CCCOc3ccc(Cl)cc3C)nnc2N2CCOCC2)[nH+]1 ZINC001492526946 1066418806 /nfs/dbraw/zinc/41/88/06/1066418806.db2.gz QPCFWBGUTGFRFS-UHFFFAOYSA-N 1 2 470.017 4.424 20 0 JIADLO Cc1cccc(CCCn2c(COc3ccc(F)cc3)nnc2N2CCN(CC(F)(F)F)CC2)[nH+]1 ZINC001492527762 1066425279 /nfs/dbraw/zinc/42/52/79/1066425279.db2.gz RVRMDTKBGSYJHO-UHFFFAOYSA-N 1 2 492.521 4.017 20 0 JIADLO Cc1cccc(CCCn2c(COc3ccc(F)cc3)nnc2N(C)CC2COC(C)(C)OC2)[nH+]1 ZINC001492527861 1066427210 /nfs/dbraw/zinc/42/72/10/1066427210.db2.gz WDXLTAHPKLUOFU-UHFFFAOYSA-N 1 2 483.588 4.168 20 0 JIADLO COc1cccc(-c2nc(CSCCC(=O)N3CCN(c4cccc[nH+]4)CC3)cs2)c1 ZINC001337326690 1066475333 /nfs/dbraw/zinc/47/53/33/1066475333.db2.gz CRUJCGRMKRQIER-UHFFFAOYSA-N 1 2 454.621 4.186 20 0 JIADLO O=C(Nc1ccc2nc(C[NH+]3CCCCC3)[nH]c2c1)[C@H]1CC(=O)N(c2ccccc2Br)C1 ZINC001338430827 1066554708 /nfs/dbraw/zinc/55/47/08/1066554708.db2.gz TYSFAFITGMMEPM-INIZCTEOSA-N 1 2 496.409 4.303 20 0 JIADLO O=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1)[C@@H](Oc1ccc(Cl)cc1)c1ccccc1 ZINC001347776340 1066697714 /nfs/dbraw/zinc/69/77/14/1066697714.db2.gz KCKRGTWXSPBBKF-RPBOFIJWSA-N 1 2 450.966 4.477 20 0 JIADLO O=C(NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)[C@@H](Oc1ccc(Cl)cc1)c1ccccc1 ZINC001347776340 1066697719 /nfs/dbraw/zinc/69/77/19/1066697719.db2.gz KCKRGTWXSPBBKF-RPBOFIJWSA-N 1 2 450.966 4.477 20 0 JIADLO COc1cc(Br)c(OC)c(C(=O)Nc2ccccc2C[NH+]2C[C@H](C)O[C@@H](C)C2)c1 ZINC001317865174 1066741085 /nfs/dbraw/zinc/74/10/85/1066741085.db2.gz ZWZHWFHRTBDIAD-GJZGRUSLSA-N 1 2 463.372 4.328 20 0 JIADLO COc1ccc(C(NC(=O)N2CC[NH+](Cc3cccs3)CC2)c2ccc(OC)cc2)cc1 ZINC001317883051 1066752833 /nfs/dbraw/zinc/75/28/33/1066752833.db2.gz LEEMYYORTJAEDR-UHFFFAOYSA-N 1 2 451.592 4.382 20 0 JIADLO Cc1ccc2c(c1)S[C@@H](C(=O)NCc1cc[nH+]c(N3CCN(c4ccc(F)cc4)CC3)c1)C2 ZINC001317890874 1066760002 /nfs/dbraw/zinc/76/00/02/1066760002.db2.gz HUJYDEPCQOJCAP-XMMPIXPASA-N 1 2 462.594 4.189 20 0 JIADLO O=C(Nc1ccc(C(=O)N2CC[NH+](Cc3ccc(C(F)(F)F)cc3)CC2)cc1)c1ccc(=O)[nH]c1 ZINC001317909134 1066779211 /nfs/dbraw/zinc/77/92/11/1066779211.db2.gz LGKVAFWZSQETJY-UHFFFAOYSA-N 1 2 484.478 4.016 20 0 JIADLO C[C@H](Sc1nc2ccsc2c(=O)n1CCC[NH+]1CCOCC1)c1ccc(F)c(F)c1 ZINC001317945389 1066803197 /nfs/dbraw/zinc/80/31/97/1066803197.db2.gz JJWDIKSEBWRCCR-AWEZNQCLSA-N 1 2 451.564 4.312 20 0 JIADLO CCOc1ccc(NS(=O)(=O)c2ccc(NC(=O)[C@H](C)n3cc[nH+]c3)cc2)cc1Br ZINC001317998139 1066841368 /nfs/dbraw/zinc/84/13/68/1066841368.db2.gz KIRAPDBIVUMXBR-AWEZNQCLSA-N 1 2 493.383 4.045 20 0 JIADLO O=C(NCc1cccc(OCC[NH+]2CCOCC2)c1)Nc1ccc(Oc2cccc(F)c2)nc1 ZINC001318004731 1066846301 /nfs/dbraw/zinc/84/63/01/1066846301.db2.gz INWUCPCGDIVRSJ-UHFFFAOYSA-N 1 2 466.513 4.046 20 0 JIADLO O=C(OCCCc1cccnc1)c1cccnc1N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC001318017959 1066854366 /nfs/dbraw/zinc/85/43/66/1066854366.db2.gz VHZZMFIKKIKIMP-UHFFFAOYSA-N 1 2 450.970 4.242 20 0 JIADLO CC(C)Cn1ncc(C(=O)NC2CC[NH+](CC(=O)Nc3ccccc3)CC2)c1-c1ccccc1 ZINC001349628205 1066862355 /nfs/dbraw/zinc/86/23/55/1066862355.db2.gz XNIJEEAGPDWTCL-UHFFFAOYSA-N 1 2 459.594 4.039 20 0 JIADLO CCN(C[C@H]1COc2ccccc2O1)C(=O)[C@@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC001349830937 1066887205 /nfs/dbraw/zinc/88/72/05/1066887205.db2.gz BFCPMBKSBJDBKV-SIKLNZKXSA-N 1 2 459.384 4.275 20 0 JIADLO COC(=O)[C@H](C)Sc1ccccc1C(=O)Nc1ccc2nc(C[NH+]3CCCCC3)[nH]c2c1 ZINC001318230108 1066973971 /nfs/dbraw/zinc/97/39/71/1066973971.db2.gz SRMWGRZHWFOHSS-INIZCTEOSA-N 1 2 452.580 4.455 20 0 JIADLO CCOc1ccc(NC(=O)c2ccc(NC(=O)[C@@H]3C[N@H+](Cc4ccccc4)CCO3)cc2)cc1 ZINC001350628870 1066981284 /nfs/dbraw/zinc/98/12/84/1066981284.db2.gz ZRRPJGNIGPJVFG-VWLOTQADSA-N 1 2 459.546 4.177 20 0 JIADLO CCOc1ccc(NC(=O)c2ccc(NC(=O)[C@@H]3C[N@@H+](Cc4ccccc4)CCO3)cc2)cc1 ZINC001350628870 1066981293 /nfs/dbraw/zinc/98/12/93/1066981293.db2.gz ZRRPJGNIGPJVFG-VWLOTQADSA-N 1 2 459.546 4.177 20 0 JIADLO COc1cc[nH+]cc1Cn1c(-c2cc(F)ccc2Br)nnc1N(C)CC1CC(F)C1 ZINC001300692909 1067043381 /nfs/dbraw/zinc/04/33/81/1067043381.db2.gz COAOFXPQGGKPGJ-UHFFFAOYSA-N 1 2 478.341 4.483 20 0 JIADLO COc1cc[nH+]cc1Cn1c(-c2cc(F)ccc2Br)nnc1N1CCC[C@@](C)(OC)C1 ZINC001300693688 1067045855 /nfs/dbraw/zinc/04/58/55/1067045855.db2.gz KFCGHEQKZRIHTJ-JOCHJYFZSA-N 1 2 490.377 4.304 20 0 JIADLO COc1cc[nH+]cc1Cn1c(-c2cc(F)ccc2Br)nnc1N(C)Cc1ccccn1 ZINC001300693953 1067046955 /nfs/dbraw/zinc/04/69/55/1067046955.db2.gz LRKUSUGYJMYDFK-UHFFFAOYSA-N 1 2 483.345 4.330 20 0 JIADLO COc1cc[nH+]cc1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@](C)(OC)CC1 ZINC001300701594 1067062272 /nfs/dbraw/zinc/06/22/72/1067062272.db2.gz DEFYTPRYWDJRRU-ZJCBTPCYSA-N 1 2 457.619 4.044 20 0 JIADLO CC(C)(C)OC(=O)N1CCC([C@H]2CCCN(C(=O)Cc3ccc(-n4cc[nH+]c4)cc3)C2)CC1 ZINC001300727602 1067142550 /nfs/dbraw/zinc/14/25/50/1067142550.db2.gz KVQBTRKBFYSHHM-QFIPXVFZSA-N 1 2 452.599 4.301 20 0 JIADLO Cc1c(C(=O)Nc2ccc3nc(C[NH+]4CCCCC4)[nH]c3c2)nnn1-c1cccc2ncccc21 ZINC001321639697 1067187046 /nfs/dbraw/zinc/18/70/46/1067187046.db2.gz GHECFBGJEXIACP-UHFFFAOYSA-N 1 2 466.549 4.238 20 0 JIADLO COc1ccc(-c2cn(-c3ccccc3)nc2C(=O)NCCc2cn3c([nH+]2)CCCC3)cc1OC ZINC001322580571 1067303575 /nfs/dbraw/zinc/30/35/75/1067303575.db2.gz TWBSXTCSFZQXKD-UHFFFAOYSA-N 1 2 471.561 4.062 20 0 JIADLO CC(C)(C)C1CCC2(CC(=O)N(C[NH+]3CCC([C@@H]4c5ccccc5NC4=O)CC3)C2=O)CC1 ZINC001322588080 1067304228 /nfs/dbraw/zinc/30/42/28/1067304228.db2.gz AUFXJWJUJCMWHY-AHKKLNPASA-N 1 2 451.611 4.373 20 0 JIADLO CO[C@H]1CCCN(c2nnc(-c3ccccc3Br)n2CCCNc2cccc[nH+]2)C1 ZINC001300765109 1067306798 /nfs/dbraw/zinc/30/67/98/1067306798.db2.gz YEQROYBHGVAEIR-KRWDZBQOSA-N 1 2 471.403 4.220 20 0 JIADLO CC(C)(C)[NH+]1CCN(C(=O)c2cccc(NS(=O)(=O)c3cc(Cl)ccc3Cl)c2)CC1 ZINC001324257041 1067337183 /nfs/dbraw/zinc/33/71/83/1067337183.db2.gz JKEVGWCTCPFHLI-UHFFFAOYSA-N 1 2 470.422 4.351 20 0 JIADLO COc1ccc(-c2nnc(N(C)C[C@@H](c3cccs3)[NH+]3CCOCC3)n2CC(F)(F)F)cc1 ZINC001300001152 1067338785 /nfs/dbraw/zinc/33/87/85/1067338785.db2.gz RJDLTGCMRFJBDH-SFHVURJKSA-N 1 2 481.544 4.087 20 0 JIADLO Cc1nccnc1C(=O)N1CC[NH+](Cc2ccc(-c3ccc(Br)cc3)s2)CC1 ZINC001355362755 1067434336 /nfs/dbraw/zinc/43/43/36/1067434336.db2.gz RHZAZZVMHGNCCF-UHFFFAOYSA-N 1 2 457.397 4.234 20 0 JIADLO COc1ccc(-c2nnc(N3CC[C@H](C(C)C)C3)n2CCCNc2cccc[nH+]2)c(OC)c1 ZINC001300033880 1067434581 /nfs/dbraw/zinc/43/45/81/1067434581.db2.gz NGSFIKAMGYLRLP-IBGZPJMESA-N 1 2 450.587 4.342 20 0 JIADLO O=C(Cc1ccc(Br)cc1)N1CC[NH+](Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC001352640434 1067596956 /nfs/dbraw/zinc/59/69/56/1067596956.db2.gz UPNUFXBGROEKMS-UHFFFAOYSA-N 1 2 457.290 4.235 20 0 JIADLO COc1ccc(C[C@@H](C)CN(C)c2nnc(C(C)C)n2Cc2ccc(N3CCO[C@@H](C)C3)[nH+]c2)cc1 ZINC001300100014 1067673775 /nfs/dbraw/zinc/67/37/75/1067673775.db2.gz QSMNUWNIYHIUNS-YADHBBJMSA-N 1 2 492.668 4.394 20 0 JIADLO C[NH+]1CCN(C(=O)c2ccccc2NC(=O)/C=C(\c2ccc(Cl)cc2)C(F)(F)F)CC1 ZINC001352819242 1067741510 /nfs/dbraw/zinc/74/15/10/1067741510.db2.gz ZNWSFCWDZGZFAU-NBVRZTHBSA-N 1 2 451.876 4.312 20 0 JIADLO CN(C(=O)Nc1ccccc1OCCn1cc[nH+]c1)C1CCC(NC(=O)OC(C)(C)C)CC1 ZINC001200176087 1067810265 /nfs/dbraw/zinc/81/02/65/1067810265.db2.gz ZJXBARJLTQGABG-UHFFFAOYSA-N 1 2 457.575 4.262 20 0 JIADLO CC[C@H](C)[C@@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)c1cnc(OCc2ccccc2)cn1 ZINC001357246864 1067823834 /nfs/dbraw/zinc/82/38/34/1067823834.db2.gz NCJXGTXHMUYBQI-CPJSRVTESA-N 1 2 459.594 4.132 20 0 JIADLO CC[C@H](C)[C@@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)c1cnc(OCc2ccccc2)cn1 ZINC001357246864 1067823836 /nfs/dbraw/zinc/82/38/36/1067823836.db2.gz NCJXGTXHMUYBQI-CPJSRVTESA-N 1 2 459.594 4.132 20 0 JIADLO Cc1cc(Br)cc(C)c1NC(=S)NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC001200219415 1067858293 /nfs/dbraw/zinc/85/82/93/1067858293.db2.gz UIDWQQXLDOSMCL-UHFFFAOYSA-N 1 2 478.456 4.264 20 0 JIADLO O=C(Nc1cc(Br)c[nH]c1=O)[C@H](c1cccc(Br)c1)[NH+]1CCCC1 ZINC001357744088 1067893612 /nfs/dbraw/zinc/89/36/12/1067893612.db2.gz NAAAGUJWBSRBCL-HNNXBMFYSA-N 1 2 455.150 4.088 20 0 JIADLO COc1ccc(C[NH+]2CCN(c3nnc(C(C)(C)C)n3C[C@@H]3CCCO[C@H]3C(C)C)CC2)cc1F ZINC001300230910 1067911254 /nfs/dbraw/zinc/91/12/54/1067911254.db2.gz NKBJTVLSEBQPFJ-URXFXBBRSA-N 1 2 487.664 4.497 20 0 JIADLO COc1ccc(C[NH+]2CCN(c3nnc([C@H]4CCCCO4)n3C[C@H](OC)C(C)(C)C)CC2)cc1F ZINC001300231825 1067916024 /nfs/dbraw/zinc/91/60/24/1067916024.db2.gz BKSCCWJIXZTKPJ-PKTZIBPZSA-N 1 2 489.636 4.051 20 0 JIADLO COc1ccc(C[NH+]2CCN(c3nnc(CC(C)(C)C)n3CCCOC(C)C)CC2)cc1F ZINC001300231990 1067916803 /nfs/dbraw/zinc/91/68/03/1067916803.db2.gz IDLDITILYHPXFP-UHFFFAOYSA-N 1 2 461.626 4.152 20 0 JIADLO COc1ccc(F)cc1C[NH+]1CCN(c2nnc(C(C)(C)C)n2Cc2sccc2C)CC1 ZINC001300245620 1067969659 /nfs/dbraw/zinc/96/96/59/1067969659.db2.gz VDRKIOUVXLBZIC-UHFFFAOYSA-N 1 2 457.619 4.464 20 0 JIADLO C[C@H](Oc1ccccc1C(F)(F)F)C(=O)N[C@@H](c1ccc(Cl)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC001358071577 1068008060 /nfs/dbraw/zinc/00/80/60/1068008060.db2.gz HMEDIOTURPIHMP-GKCIPKSASA-N 1 2 456.892 4.314 20 0 JIADLO C[C@H](Oc1ccccc1C(F)(F)F)C(=O)N[C@@H](c1ccc(Cl)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC001358071577 1068008076 /nfs/dbraw/zinc/00/80/76/1068008076.db2.gz HMEDIOTURPIHMP-GKCIPKSASA-N 1 2 456.892 4.314 20 0 JIADLO CN(C)c1cc(C(=O)N[C@H](c2ccc(Cl)cc2)[C@@H]2C[N@H+](C)CCO2)cc(C(F)(F)F)c1 ZINC001358073048 1068010694 /nfs/dbraw/zinc/01/06/94/1068010694.db2.gz RVPLZAXLDYHHCD-VQTJNVASSA-N 1 2 455.908 4.227 20 0 JIADLO CN(C)c1cc(C(=O)N[C@H](c2ccc(Cl)cc2)[C@@H]2C[N@@H+](C)CCO2)cc(C(F)(F)F)c1 ZINC001358073048 1068010708 /nfs/dbraw/zinc/01/07/08/1068010708.db2.gz RVPLZAXLDYHHCD-VQTJNVASSA-N 1 2 455.908 4.227 20 0 JIADLO COc1ccc(OCc2nnc(N3C[C@@H](C)C[C@H](C)C3)n2CCCNc2cccc[nH+]2)cc1 ZINC001300268768 1068044150 /nfs/dbraw/zinc/04/41/50/1068044150.db2.gz GUYMKGKKQDGPDR-PMACEKPBSA-N 1 2 450.587 4.245 20 0 JIADLO CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC001358238549 1068049412 /nfs/dbraw/zinc/04/94/12/1068049412.db2.gz XLLRKEHRDQAHPX-QHCPKHFHSA-N 1 2 459.550 4.106 20 0 JIADLO COc1ccc(C(=O)N(Cc2ccccc2)[C@H](C)C[NH+]2CCOCC2)c(OC2CCCC2)c1 ZINC001358433653 1068089758 /nfs/dbraw/zinc/08/97/58/1068089758.db2.gz LXFJCKOJJVIJEF-OAQYLSRUSA-N 1 2 452.595 4.380 20 0 JIADLO CC(C)(C[NH+]1CCOCC1)NC(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cn2)c(F)c1 ZINC001200330717 1068092978 /nfs/dbraw/zinc/09/29/78/1068092978.db2.gz OHJZIYPZEJDGNS-UHFFFAOYSA-N 1 2 456.440 4.264 20 0 JIADLO CC[N@@H+]1CCn2c(-c3cnn(C)c3)cnc2C12CCN(C(=S)Nc1ccc(C)cc1Cl)CC2 ZINC001200333184 1068099221 /nfs/dbraw/zinc/09/92/21/1068099221.db2.gz ZHBAKVJXQJBIBU-UHFFFAOYSA-N 1 2 484.073 4.269 20 0 JIADLO CC[N@H+]1CCn2c(-c3cnn(C)c3)cnc2C12CCN(C(=S)Nc1ccc(C)cc1Cl)CC2 ZINC001200333184 1068099236 /nfs/dbraw/zinc/09/92/36/1068099236.db2.gz ZHBAKVJXQJBIBU-UHFFFAOYSA-N 1 2 484.073 4.269 20 0 JIADLO CCOc1ccc(C[NH+]2CCN(C(=O)Nc3nnc(Cc4ccc(C)cc4)s3)CC2)cc1 ZINC000518165695 1068303692 /nfs/dbraw/zinc/30/36/92/1068303692.db2.gz PRWNGIAZOYTXLA-UHFFFAOYSA-N 1 2 451.596 4.186 20 0 JIADLO COc1ccc(C[NH2+][C@H](C)c2cc(F)ccc2N2CCC(O)CC2)c(Br)c1O ZINC001200390784 1068364582 /nfs/dbraw/zinc/36/45/82/1068364582.db2.gz QJQODRGESIMLMR-CYBMUJFWSA-N 1 2 453.352 4.114 20 0 JIADLO COc1c(Br)cc(C[NH2+][C@@H](CO)c2c(F)cccc2F)cc1Br ZINC001200425823 1068494764 /nfs/dbraw/zinc/49/47/64/1068494764.db2.gz XULXMNNCDPTYBP-AWEZNQCLSA-N 1 2 451.105 4.322 20 0 JIADLO COc1cccc(-c2nnc(N3CC[NH+](Cc4cnc(C)s4)CC3)n2CCCCSC)c1 ZINC001300389784 1068501894 /nfs/dbraw/zinc/50/18/94/1068501894.db2.gz RCSGODIUFQXRAG-UHFFFAOYSA-N 1 2 472.684 4.184 20 0 JIADLO CSc1ccc([C@@H](CNC(=O)[C@H](CC(C)C)NC(C)=O)[N@@H+]2CCc3sccc3C2)cc1 ZINC001353919118 1068752428 /nfs/dbraw/zinc/75/24/28/1068752428.db2.gz MBTAGPFJOSTRBN-FCHUYYIVSA-N 1 2 459.681 4.236 20 0 JIADLO CSc1ccc([C@@H](CNC(=O)[C@H](CC(C)C)NC(C)=O)[N@H+]2CCc3sccc3C2)cc1 ZINC001353919118 1068752441 /nfs/dbraw/zinc/75/24/41/1068752441.db2.gz MBTAGPFJOSTRBN-FCHUYYIVSA-N 1 2 459.681 4.236 20 0 JIADLO CCc1[nH]c(C(=O)N(CC)C2CCN(c3cc(C)[nH+]c(C(C)C)n3)CC2)c(C)c1C(=O)OC ZINC001354065939 1068874377 /nfs/dbraw/zinc/87/43/77/1068874377.db2.gz FNVVIXQPRACQHJ-UHFFFAOYSA-N 1 2 455.603 4.025 20 0 JIADLO Cc1ccccc1Cc1nnc(N2CC[NH+](C[C@@H]3CN(C(C)C)CCO3)CC2)n1CCCC(C)(C)C ZINC001492587399 1069024481 /nfs/dbraw/zinc/02/44/81/1069024481.db2.gz OMZJDFNWGMQKIM-AREMUKBSSA-N 1 2 496.744 4.235 20 0 JIADLO C[C@@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)Nc1nnc(Cc2cccc(F)c2)s1 ZINC000504154143 1069079501 /nfs/dbraw/zinc/07/95/01/1069079501.db2.gz USHWXQBGDCAIQQ-SFHVURJKSA-N 1 2 469.586 4.023 20 0 JIADLO CC[C@H](C(=O)NC[C@@H](c1ccc(SC)cc1)[N@@H+]1CCc2sccc2C1)N1CCCC1=O ZINC001354347070 1069128482 /nfs/dbraw/zinc/12/84/82/1069128482.db2.gz NAHXYPUMBJEBTE-RTWAWAEBSA-N 1 2 457.665 4.087 20 0 JIADLO CC[C@H](C(=O)NC[C@@H](c1ccc(SC)cc1)[N@H+]1CCc2sccc2C1)N1CCCC1=O ZINC001354347070 1069128485 /nfs/dbraw/zinc/12/84/85/1069128485.db2.gz NAHXYPUMBJEBTE-RTWAWAEBSA-N 1 2 457.665 4.087 20 0 JIADLO COc1ccccc1CN(CCO)c1nnc(C(C)(C)C)n1Cc1ccc(N2CCCCC2)[nH+]c1 ZINC001300599196 1069182555 /nfs/dbraw/zinc/18/25/55/1069182555.db2.gz DZECOHOYNYYIEG-UHFFFAOYSA-N 1 2 478.641 4.017 20 0 JIADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)[C@@H]1CC(=O)N(C)[C@H]1c1cccc(Cl)c1 ZINC001354465931 1069240342 /nfs/dbraw/zinc/24/03/42/1069240342.db2.gz SIKPFPKQBGNSDX-QPPBQGQZSA-N 1 2 455.002 4.020 20 0 JIADLO CCOC(=O)c1sc2nc(C[NH+]3CCCCC3)nc(N3CCC4(C[C@H]4CCO)CC3)c2c1C ZINC001164393041 718811545 /nfs/dbraw/zinc/81/15/45/718811545.db2.gz PSEORVHNOJFIMV-GOSISDBHSA-N 1 2 472.655 4.151 20 0 JIADLO C[C@@H]1C[N@H+](C)[C@H](C)CN1C(F)(F)c1ccccc1S(=O)(=O)Nc1nc2ccccc2nc1Cl ZINC001164635337 719238365 /nfs/dbraw/zinc/23/83/65/719238365.db2.gz PRGBXKMVAOLKMD-HUUCEWRRSA-N 1 2 495.983 4.158 20 0 JIADLO C[C@@H]1C[N@@H+](C)[C@H](C)CN1C(F)(F)c1ccccc1S(=O)(=O)Nc1nc2ccccc2nc1Cl ZINC001164635337 719238367 /nfs/dbraw/zinc/23/83/67/719238367.db2.gz PRGBXKMVAOLKMD-HUUCEWRRSA-N 1 2 495.983 4.158 20 0 JIADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ncccc1C(=O)N1CCCC1)CC2 ZINC001164662900 719345618 /nfs/dbraw/zinc/34/56/18/719345618.db2.gz VAYMLSITSMIVCD-UHFFFAOYSA-N 1 2 470.621 4.012 20 0 JIADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ncccc1C(=O)N1CCCC1)CC2 ZINC001164662900 719345619 /nfs/dbraw/zinc/34/56/19/719345619.db2.gz VAYMLSITSMIVCD-UHFFFAOYSA-N 1 2 470.621 4.012 20 0 JIADLO CCOc1c(Cl)ncnc1N1CCC2(CC1)c1ncc(-c3ccccc3)n1CC[N@H+]2CC ZINC001164658056 719351149 /nfs/dbraw/zinc/35/11/49/719351149.db2.gz CSQYOWDGYOIFJN-UHFFFAOYSA-N 1 2 452.990 4.223 20 0 JIADLO CCOc1c(Cl)ncnc1N1CCC2(CC1)c1ncc(-c3ccccc3)n1CC[N@@H+]2CC ZINC001164658056 719351153 /nfs/dbraw/zinc/35/11/53/719351153.db2.gz CSQYOWDGYOIFJN-UHFFFAOYSA-N 1 2 452.990 4.223 20 0 JIADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ccc(-c3ccccn3)nn1)CC2 ZINC001164658552 719354643 /nfs/dbraw/zinc/35/46/43/719354643.db2.gz IUWSPMBNYZSLAP-UHFFFAOYSA-N 1 2 451.578 4.233 20 0 JIADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ccc(-c3ccccn3)nn1)CC2 ZINC001164658552 719354645 /nfs/dbraw/zinc/35/46/45/719354645.db2.gz IUWSPMBNYZSLAP-UHFFFAOYSA-N 1 2 451.578 4.233 20 0 JIADLO CC(C)(C)NC(=O)c1cc(Cl)nc(N2CCC3(CC2)COCC[N@@H+]3Cc2ccc(F)cc2)c1 ZINC001164670321 719513618 /nfs/dbraw/zinc/51/36/18/719513618.db2.gz CVTUDKYXYQCCSH-UHFFFAOYSA-N 1 2 475.008 4.274 20 0 JIADLO CC(C)(C)NC(=O)c1cc(Cl)nc(N2CCC3(CC2)COCC[N@H+]3Cc2ccc(F)cc2)c1 ZINC001164670321 719513639 /nfs/dbraw/zinc/51/36/39/719513639.db2.gz CVTUDKYXYQCCSH-UHFFFAOYSA-N 1 2 475.008 4.274 20 0 JIADLO Fc1ccc(-c2cc(C(F)(F)N3CCc4onc(Cn5cc[nH+]c5)c4C3)c(Cl)nn2)cc1 ZINC001164676987 719567712 /nfs/dbraw/zinc/56/77/12/719567712.db2.gz TYGVNTWDRXQIDE-UHFFFAOYSA-N 1 2 460.847 4.277 20 0 JIADLO NC(=O)c1ccc(-c2c[nH+]c3n2CCC32CCN(C(F)(F)Oc3cccc(Cl)n3)CC2)cc1 ZINC001164695535 719829938 /nfs/dbraw/zinc/82/99/38/719829938.db2.gz DUXYNCJTBAUULN-UHFFFAOYSA-N 1 2 473.911 4.064 20 0 JIADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1C(F)(F)c1ccc2nc(Cl)cc(Cl)c2c1 ZINC001164701891 719851387 /nfs/dbraw/zinc/85/13/87/719851387.db2.gz LNXVZEDIXTVWBW-BTYIYWSLSA-N 1 2 488.362 4.319 20 0 JIADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1cnc(-c2ccccc2)c(-c2ccccc2)n1 ZINC001164705630 719852546 /nfs/dbraw/zinc/85/25/46/719852546.db2.gz VAVIEEQIBPPJRA-LXFBAYGMSA-N 1 2 472.589 4.043 20 0 JIADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1cc(-c2ccccc2)nc(-c2cccs2)n1 ZINC001164708206 719872460 /nfs/dbraw/zinc/87/24/60/719872460.db2.gz YQJCZYYWNBCWKG-FNZWTVRRSA-N 1 2 478.618 4.105 20 0 JIADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ccc(-c2ccc(-c3ccccc3)cc2)nn1 ZINC001164699840 719873001 /nfs/dbraw/zinc/87/30/01/719873001.db2.gz BXRHJQBIDGXGNO-RBJSKKJNSA-N 1 2 472.589 4.043 20 0 JIADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4nc(Cl)cc5cc(F)ccc54)CC3)C2=O)cs1 ZINC001164823257 720358465 /nfs/dbraw/zinc/35/84/65/720358465.db2.gz CWBITXLYEKXJBF-UHFFFAOYSA-N 1 2 474.005 4.105 20 0 JIADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4nc(Cl)cc5cc(F)ccc54)CC3)C2=O)cs1 ZINC001164823257 720358471 /nfs/dbraw/zinc/35/84/71/720358471.db2.gz CWBITXLYEKXJBF-UHFFFAOYSA-N 1 2 474.005 4.105 20 0 JIADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4cc(Cl)nc5ccsc54)CC3)C2=O)cs1 ZINC001164823141 720365881 /nfs/dbraw/zinc/36/58/81/720365881.db2.gz BAGNGWUCCJATOB-UHFFFAOYSA-N 1 2 462.044 4.028 20 0 JIADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4cc(Cl)nc5ccsc54)CC3)C2=O)cs1 ZINC001164823141 720365888 /nfs/dbraw/zinc/36/58/88/720365888.db2.gz BAGNGWUCCJATOB-UHFFFAOYSA-N 1 2 462.044 4.028 20 0 JIADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4c(Cl)ncc(Cl)c4Cl)CC3)C2=O)cs1 ZINC001164820189 720371257 /nfs/dbraw/zinc/37/12/57/720371257.db2.gz LYQNCFFFQKFSKC-UHFFFAOYSA-N 1 2 474.845 4.120 20 0 JIADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4c(Cl)ncc(Cl)c4Cl)CC3)C2=O)cs1 ZINC001164820189 720371269 /nfs/dbraw/zinc/37/12/69/720371269.db2.gz LYQNCFFFQKFSKC-UHFFFAOYSA-N 1 2 474.845 4.120 20 0 JIADLO Fc1cccc(-c2cc(C(F)(F)N3CCCn4nnc(Cn5cc[nH+]c5)c4C3)cnc2Cl)c1 ZINC001164828184 720399591 /nfs/dbraw/zinc/39/95/91/720399591.db2.gz IOGFBYFBIXPAJM-UHFFFAOYSA-N 1 2 473.890 4.333 20 0 JIADLO FC(F)(c1ccc2ncnc(Cl)c2c1)N1Cc2c[nH+]cn2C[C@@H](COc2cccnc2)C1 ZINC001164768138 721273467 /nfs/dbraw/zinc/27/34/67/721273467.db2.gz KMAMITXWABTIQN-OAHLLOKOSA-N 1 2 456.884 4.135 20 0 JIADLO COc1ccc(-c2cc(C(F)(F)N3CCCn4c(C[N@H+](C)C(C)C)nnc4C3)c(Cl)nn2)cc1 ZINC001165011859 721721722 /nfs/dbraw/zinc/72/17/22/721721722.db2.gz WROIPOJJEYOTSB-UHFFFAOYSA-N 1 2 491.974 4.193 20 0 JIADLO COc1ccc(-c2cc(C(F)(F)N3CCCn4c(C[N@@H+](C)C(C)C)nnc4C3)c(Cl)nn2)cc1 ZINC001165011859 721721724 /nfs/dbraw/zinc/72/17/24/721721724.db2.gz WROIPOJJEYOTSB-UHFFFAOYSA-N 1 2 491.974 4.193 20 0 JIADLO COC(=O)c1nc(Cl)ccc1-c1ccc(C(F)(F)N2CC[NH+](CCc3ccccn3)CC2)cc1 ZINC001165056215 722016189 /nfs/dbraw/zinc/01/61/89/722016189.db2.gz PCLVROAVMZOETG-UHFFFAOYSA-N 1 2 486.950 4.493 20 0 JIADLO COc1ccccc1-c1cc(C(F)(F)N2CC[NH+](CCc3ccccn3)CC2)c(Cl)nn1 ZINC001165055195 722020392 /nfs/dbraw/zinc/02/03/92/722020392.db2.gz LPJCZQGRMQXIDL-UHFFFAOYSA-N 1 2 459.928 4.110 20 0 JIADLO COC(=O)c1ccc(-c2ccc(N3CC[C@H]4OCCN(Cc5csc(C)n5)[C@H]4CC3)[nH+]c2C)cc1 ZINC001164987670 722184754 /nfs/dbraw/zinc/18/47/54/722184754.db2.gz LFYSVZAYXGISIK-LOSJGSFVSA-N 1 2 492.645 4.478 20 0 JIADLO CC(=O)N1CC[C@@H](CN(C)c2nnc(-c3ccc(Cl)cc3F)n2CCCc2cccc(C)[nH+]2)C1 ZINC001359358343 1069450940 /nfs/dbraw/zinc/45/09/40/1069450940.db2.gz YJSRTWJQQIJHGK-IBGZPJMESA-N 1 2 485.007 4.378 20 0 JIADLO CC(=O)N1CC[C@@H](CN(C)c2nnc(COc3ccc(Cl)cc3)n2CCCc2cccc(C)[nH+]2)C1 ZINC001359363655 1069457041 /nfs/dbraw/zinc/45/70/41/1069457041.db2.gz WVHADVKXPVPEHD-NRFANRHFSA-N 1 2 497.043 4.151 20 0 JIADLO CC(C)(C)C(=O)N1CCN(c2nnc(C(C)(C)C)n2Cc2ccc(N3CCCCCC3)[nH+]c2)CC1 ZINC001359487160 1069668716 /nfs/dbraw/zinc/66/87/16/1069668716.db2.gz ONAVMYVZXXDFGZ-UHFFFAOYSA-N 1 2 481.689 4.094 20 0 JIADLO CC(C)(C)Cc1nnc(N2CC[NH+](Cc3cccc(F)c3)CC2)n1CCCNc1ccccn1 ZINC001359540314 1069837791 /nfs/dbraw/zinc/83/77/91/1069837791.db2.gz QNWWVAZGRWZLCU-UHFFFAOYSA-N 1 2 465.621 4.225 20 0 JIADLO CC(C)c1nnc(N(C)C[C@H](c2cccs2)[NH+]2CCOCC2)n1CCc1ccc(F)cc1 ZINC001359679627 1070335228 /nfs/dbraw/zinc/33/52/28/1070335228.db2.gz OILGKVNQVQHFAI-OAQYLSRUSA-N 1 2 457.619 4.355 20 0 JIADLO CC(C)c1nnc(N2C[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C2)n1C[C@H](c1c(F)cccc1F)[NH+](C)C ZINC001359690030 1070346207 /nfs/dbraw/zinc/34/62/07/1070346207.db2.gz XSWIAQCFMZRRST-FFZOFVMBSA-N 1 2 492.615 4.332 20 0 JIADLO CC(C)c1nnc(N2CCC([C@@](C)(O)C(F)(F)F)CC2)n1Cc1ccccc1-n1cc[nH+]c1 ZINC001359692024 1070350385 /nfs/dbraw/zinc/35/03/85/1070350385.db2.gz FOLMWZQRMCXARR-JOCHJYFZSA-N 1 2 462.520 4.165 20 0 JIADLO COc1ccc(C[NH+]2CCN(c3nnc(CC(C)(C)C)n3CCCOC(F)(F)F)CC2)cc1F ZINC001315505110 1064417253 /nfs/dbraw/zinc/41/72/53/1064417253.db2.gz NURHFCBMSANHEC-UHFFFAOYSA-N 1 2 487.542 4.263 20 0 JIADLO COc1ccc(F)cc1C[NH+]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CC(C)C)CC1 ZINC001315515014 1064460744 /nfs/dbraw/zinc/46/07/44/1064460744.db2.gz CCFYQZKMNQPZFJ-UHFFFAOYSA-N 1 2 491.409 4.162 20 0 JIADLO COc1ccc(F)cc1C[NH+]1CCN(c2nnc(CC(C)(C)C)n2CCc2csc(C)n2)CC1 ZINC001315515266 1064461232 /nfs/dbraw/zinc/46/12/32/1064461232.db2.gz JHEOROTUSULJIO-UHFFFAOYSA-N 1 2 486.661 4.344 20 0 JIADLO COc1ccccc1CN(C)c1nnc(-c2ccc(Cl)nc2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001315637984 1064796710 /nfs/dbraw/zinc/79/67/10/1064796710.db2.gz WPZKVNIGUUHGKQ-UHFFFAOYSA-N 1 2 463.973 4.148 20 0 JIADLO COc1ccccc1SCc1nnc(N(C)Cc2c(C)noc2C)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001315661626 1064861957 /nfs/dbraw/zinc/86/19/57/1064861957.db2.gz LUVKRXLGCAJGIU-UHFFFAOYSA-N 1 2 493.637 4.330 20 0 JIADLO COc1ccccc1SCc1nnc(N2C[C@@H](C)CC(C)(C)C2)n1C[C@@H](C)[NH+]1CCOCC1 ZINC001315663447 1064870234 /nfs/dbraw/zinc/87/02/34/1064870234.db2.gz ZFNPROBSCBCFAT-VQTJNVASSA-N 1 2 473.687 4.172 20 0 JIADLO COc1ccccc1SCc1nnc(N2CCC[C@H](C(F)(F)F)C2)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001315665396 1064878866 /nfs/dbraw/zinc/87/88/66/1064878866.db2.gz BMLXIXPPZOJBCJ-ROUUACIJSA-N 1 2 499.603 4.078 20 0 JIADLO COc1ccccc1SCc1nnc(N2CCC[C@H](C(F)(F)F)C2)n1CC[N@H+]1CCOC[C@@H]1C ZINC001315665396 1064878873 /nfs/dbraw/zinc/87/88/73/1064878873.db2.gz BMLXIXPPZOJBCJ-ROUUACIJSA-N 1 2 499.603 4.078 20 0 JIADLO COc1ccccc1SCc1nnc(N2CC[C@@H](C(C)(C)C)C2)n1CC[N@@H+]1CCOC[C@H]1C ZINC001315666011 1064881257 /nfs/dbraw/zinc/88/12/57/1064881257.db2.gz VMNSGGMARVADOP-WOJBJXKFSA-N 1 2 473.687 4.172 20 0 JIADLO COc1ccccc1SCc1nnc(N2CC[C@@H](C(C)(C)C)C2)n1CC[N@H+]1CCOC[C@H]1C ZINC001315666011 1064881259 /nfs/dbraw/zinc/88/12/59/1064881259.db2.gz VMNSGGMARVADOP-WOJBJXKFSA-N 1 2 473.687 4.172 20 0 JIADLO COc1ccccc1SCc1nnc(N2CCS[C@@H](C)C2)n1CCCNc1cccc[nH+]1 ZINC001315667761 1064888916 /nfs/dbraw/zinc/88/89/16/1064888916.db2.gz HZCJIBGSXOUECL-SFHVURJKSA-N 1 2 470.668 4.418 20 0 JIADLO COc1cc[nH+]cc1Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCC(CNC(C)=O)CC1 ZINC001315669595 1064897520 /nfs/dbraw/zinc/89/75/20/1064897520.db2.gz NLUCYYVIYVDFSD-UHFFFAOYSA-N 1 2 489.407 4.056 20 0 JIADLO COc1cc[nH+]cc1Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1C[C@@H](C)CC(C)(C)C1 ZINC001315670358 1064899016 /nfs/dbraw/zinc/89/90/16/1064899016.db2.gz LSPHTRHUWIPQJS-KRWDZBQOSA-N 1 2 462.598 4.472 20 0 JIADLO COc1cc[nH+]cc1Cn1c(CC(C)(C)C)nnc1N1CCC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1 ZINC001315672243 1064902167 /nfs/dbraw/zinc/90/21/67/1064902167.db2.gz QTMKVXWXXXPVSQ-OALUTQOASA-N 1 2 486.661 4.448 20 0 JIADLO CO[C@H]1CN(c2nnc(-c3cc(Br)cn3C)n2CCCc2cccc(C)[nH+]2)CC[C@H]1C ZINC001315711345 1064988103 /nfs/dbraw/zinc/98/81/03/1064988103.db2.gz CASSYQFRYKLMBV-IERDGZPVSA-N 1 2 487.446 4.244 20 0 JIADLO CO[C@H]1CN(c2nnc([C@H](C)Oc3ccccc3F)n2CCCNc2cccc[nH+]2)CC1(C)C ZINC001315711644 1064990436 /nfs/dbraw/zinc/99/04/36/1064990436.db2.gz CWNCGWXUMXBDMS-RXVVDRJESA-N 1 2 468.577 4.316 20 0 JIADLO COCCC(C)(C)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC001315954797 1065497475 /nfs/dbraw/zinc/49/74/75/1065497475.db2.gz QOGDRUNAQPIWEO-IBGZPJMESA-N 1 2 497.619 4.045 20 0 JIADLO COCC[C@H]1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2Cc2c[nH+]ccc2OC)C1 ZINC001316002856 1065587162 /nfs/dbraw/zinc/58/71/62/1065587162.db2.gz NDVDHBGEFPQOTB-HXUWFJFHSA-N 1 2 479.625 4.469 20 0 JIADLO COCCCn1c(CSc2ccc(C)cc2)nnc1N1CC[NH+](Cc2cnc(C)s2)CC1 ZINC001316047039 1065666336 /nfs/dbraw/zinc/66/63/36/1065666336.db2.gz RGILIGLTKATZTL-UHFFFAOYSA-N 1 2 472.684 4.002 20 0 JIADLO COCCN(c1nnc(C(C)(C)C)n1C[C@@H]1C[N@H+](Cc2ccccc2)CCO1)[C@@H]1CC[C@H](C)C1 ZINC001316081376 1065727601 /nfs/dbraw/zinc/72/76/01/1065727601.db2.gz NBBILHNSNVUJRP-QTJGBDASSA-N 1 2 469.674 4.118 20 0 JIADLO COCCN(c1nnc(C(C)(C)C)n1C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)[C@@H]1CC[C@H](C)C1 ZINC001316081376 1065727617 /nfs/dbraw/zinc/72/76/17/1065727617.db2.gz NBBILHNSNVUJRP-QTJGBDASSA-N 1 2 469.674 4.118 20 0 JIADLO COCCN(CCc1ccccc1)c1nnc(C(C)(C)C)n1Cc1ccc(N2CCCC2)[nH+]c1 ZINC001316103172 1065769231 /nfs/dbraw/zinc/76/92/31/1065769231.db2.gz DNHSDNHFHZYIJY-UHFFFAOYSA-N 1 2 462.642 4.315 20 0 JIADLO COCCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC001316105602 1065773025 /nfs/dbraw/zinc/77/30/25/1065773025.db2.gz HGUIWVJHDRXWDB-JOCHJYFZSA-N 1 2 493.656 4.230 20 0 JIADLO COCCO[C@@H](C)c1nnc(N2CC=C(C(C)(C)C)CC2)n1C[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC001316163057 1065830304 /nfs/dbraw/zinc/83/03/04/1065830304.db2.gz BFKQCPAESKKKRN-WIOPSUGQSA-N 1 2 497.684 4.258 20 0 JIADLO COCCO[C@H](C)c1nnc(N2CCCC(C)(C)C2)n1C[C@H](c1cccc(C)c1)[NH+]1CCOCC1 ZINC001316188292 1065876724 /nfs/dbraw/zinc/87/67/24/1065876724.db2.gz IIHBOPUFVBISAA-ISKFKSNPSA-N 1 2 485.673 4.010 20 0 JIADLO COCCO[C@@H](C)c1nnc(N2CCCC(C)(C)C2)n1C[C@H](c1cccc(C)c1)[NH+]1CCOCC1 ZINC001316188293 1065876776 /nfs/dbraw/zinc/87/67/76/1065876776.db2.gz IIHBOPUFVBISAA-LADGPHEKSA-N 1 2 485.673 4.010 20 0 JIADLO COCCO[C@H]1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CCCc2cccc(C)[nH+]2)C1 ZINC001316242911 1065984325 /nfs/dbraw/zinc/98/43/25/1065984325.db2.gz YUIQJHAZLQDJJN-FQEVSTJZSA-N 1 2 473.980 4.316 20 0 JIADLO CON(C)c1nnc(CCCOc2ccc(Cl)cc2C)n1C[C@H]1CCCn2cc(C)[nH+]c21 ZINC001316313914 1066070161 /nfs/dbraw/zinc/07/01/61/1066070161.db2.gz NOCBIYOONQIXEL-GOSISDBHSA-N 1 2 458.994 4.332 20 0 JIADLO CS[C@H](Cn1c(Cc2ccsc2)nnc1N1CC[NH+](Cc2cc(C)no2)CC1)C(C)(C)C ZINC001316396280 1066173362 /nfs/dbraw/zinc/17/33/62/1066173362.db2.gz SPYFZXLEZGYETN-HXUWFJFHSA-N 1 2 474.700 4.327 20 0 JIADLO CS[C@H](Cn1c(CSc2ccc(C)cc2)nnc1N(C)CC[NH+]1CCOCC1)C(C)(C)C ZINC001316398161 1066175887 /nfs/dbraw/zinc/17/58/87/1066175887.db2.gz GYDGCWKITZCMFU-OAQYLSRUSA-N 1 2 477.744 4.425 20 0 JIADLO CSc1ccccc1CN(C)c1nnc([C@H]2CCCOC2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001316423352 1066235017 /nfs/dbraw/zinc/23/50/17/1066235017.db2.gz FYSGLZYXLVMROP-FQEVSTJZSA-N 1 2 452.628 4.040 20 0 JIADLO CCOC(=O)C1C(C[N@@H+]2CCC[C@H]2c2cccc(OC)c2)=NC(=O)N[C@@H]1c1ccc(Cl)cc1 ZINC001327303111 1066315226 /nfs/dbraw/zinc/31/52/26/1066315226.db2.gz JESMAJMLBGXKGD-JTHBVZDNSA-N 1 2 469.969 4.357 20 0 JIADLO CCOC(=O)C1C(C[N@H+]2CCC[C@H]2c2cccc(OC)c2)=NC(=O)N[C@@H]1c1ccc(Cl)cc1 ZINC001327303111 1066315245 /nfs/dbraw/zinc/31/52/45/1066315245.db2.gz JESMAJMLBGXKGD-JTHBVZDNSA-N 1 2 469.969 4.357 20 0 JIADLO CCOC(=O)C1=C(C[N@@H+]2CCC[C@H]2c2cccc(OC)c2)NC(=O)N[C@@H]1c1ccc(Cl)cc1 ZINC001327303111 1066315258 /nfs/dbraw/zinc/31/52/58/1066315258.db2.gz JESMAJMLBGXKGD-JTHBVZDNSA-N 1 2 469.969 4.357 20 0 JIADLO CCOC(=O)C1=C(C[N@H+]2CCC[C@H]2c2cccc(OC)c2)NC(=O)N[C@@H]1c1ccc(Cl)cc1 ZINC001327303111 1066315278 /nfs/dbraw/zinc/31/52/78/1066315278.db2.gz JESMAJMLBGXKGD-JTHBVZDNSA-N 1 2 469.969 4.357 20 0 JIADLO CSCC[C@H](C)N(C)c1nnc(-c2ccccc2C)n1Cc1ccc[nH+]c1N1CCOCC1 ZINC001316448995 1066324554 /nfs/dbraw/zinc/32/45/54/1066324554.db2.gz XKFCESIROVTCLY-FQEVSTJZSA-N 1 2 466.655 4.111 20 0 JIADLO Cc1cccc(-c2nnc(N3C[C@@H](C)OC(C)(C)C3)n2C[C@H](c2c(F)cccc2F)[NH+](C)C)n1 ZINC001492506986 1066329854 /nfs/dbraw/zinc/32/98/54/1066329854.db2.gz OITJOMLOCSZCGL-DYESRHJHSA-N 1 2 470.568 4.233 20 0 JIADLO CC[NH+](CC)Cc1csc(NC(=O)C2CCN(C(=O)c3ccc(Br)cc3)CC2)n1 ZINC001331702300 1066361153 /nfs/dbraw/zinc/36/11/53/1066361153.db2.gz MTXHAWRYTHZQAN-UHFFFAOYSA-N 1 2 479.444 4.238 20 0 JIADLO Cc1cccc(CCCn2c(-c3ccccn3)nnc2N2CC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C2)[nH+]1 ZINC001492525807 1066411391 /nfs/dbraw/zinc/41/13/91/1066411391.db2.gz IJJQRGWKKBOVIG-LEWJYISDSA-N 1 2 491.640 4.416 20 0 JIADLO Cc1cccc(CCCn2c(C3CC3)nnc2N(CCO)Cc2ccc(F)c(Br)c2)[nH+]1 ZINC001492526051 1066411435 /nfs/dbraw/zinc/41/14/35/1066411435.db2.gz MCQJSODADXSYBU-UHFFFAOYSA-N 1 2 488.405 4.392 20 0 JIADLO Cc1cccc(CCCn2c(-c3ccccc3F)nnc2N2CCN([C@H](C)C(F)(F)F)CC2)[nH+]1 ZINC001492526468 1066415285 /nfs/dbraw/zinc/41/52/85/1066415285.db2.gz ZTKNLARMBDAXSO-GOSISDBHSA-N 1 2 476.522 4.493 20 0 JIADLO Cc1cccc(CCCn2c(N3CCC[C@@H](NC(=O)OC(C)(C)C)C3)nnc2C(C)(C)C)[nH+]1 ZINC001492527663 1066424045 /nfs/dbraw/zinc/42/40/45/1066424045.db2.gz ORZOPNLHWXTCAQ-HXUWFJFHSA-N 1 2 456.635 4.405 20 0 JIADLO FC(F)(F)[C@@H]1CN(c2nnc(-c3cccc(Cl)c3)n2CCCNc2cccc[nH+]2)CCO1 ZINC001316510417 1066494165 /nfs/dbraw/zinc/49/41/65/1066494165.db2.gz OEGYCYSIUSBUJD-KRWDZBQOSA-N 1 2 466.895 4.263 20 0 JIADLO FC(F)(F)CC1CCN(c2nnc(Cc3cccnc3)n2CCCNc2cccc[nH+]2)CC1 ZINC001316511052 1066496185 /nfs/dbraw/zinc/49/61/85/1066496185.db2.gz MUIBKUGRFHBJNF-UHFFFAOYSA-N 1 2 459.520 4.330 20 0 JIADLO O=C(CCOc1ccccc1)N1CCC[C@@H](C(=O)Nc2ccc3nc(C[NH+]4CCCCC4)[nH]c3c2)C1 ZINC001338428304 1066553623 /nfs/dbraw/zinc/55/36/23/1066553623.db2.gz BMGOJYIELNOXHH-OAQYLSRUSA-N 1 2 489.620 4.195 20 0 JIADLO C[C@@H](Sc1ncccc1C(=O)Nc1ccc2nc(C[NH+]3CCCCC3)[nH]c2c1)C(=O)N1CCCC1 ZINC001338428345 1066553705 /nfs/dbraw/zinc/55/37/05/1066553705.db2.gz CURZPQVPVSXLHF-GOSISDBHSA-N 1 2 492.649 4.299 20 0 JIADLO Cc1oc(C(=O)O[C@H](Cn2cc[nH+]c2)c2ccc(Cl)cc2Cl)cc1S(=O)(=O)N1CCCC1 ZINC001345106526 1066640229 /nfs/dbraw/zinc/64/02/29/1066640229.db2.gz QASWWLRODQDXIO-LJQANCHMSA-N 1 2 498.388 4.474 20 0 JIADLO CCCCNS(=O)(=O)c1cccc(NC(=O)N2CC[NH+](Cc3ccc(C(F)(F)F)cc3)CC2)c1 ZINC001317829891 1066715608 /nfs/dbraw/zinc/71/56/08/1066715608.db2.gz JGDWMIDACWZAGL-UHFFFAOYSA-N 1 2 498.571 4.134 20 0 JIADLO CCCN(Cc1nc2ccsc2c(=O)[nH]1)C(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001317886382 1066755577 /nfs/dbraw/zinc/75/55/77/1066755577.db2.gz HBLGZDOHYFEQJC-IAGOWNOFSA-N 1 2 469.611 4.450 20 0 JIADLO C[C@H](C(=O)N(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)Cc1ccco1)n1cc[nH+]c1 ZINC001317997802 1066840594 /nfs/dbraw/zinc/84/05/94/1066840594.db2.gz GEHFBYXBWLGZAV-CYBMUJFWSA-N 1 2 454.836 4.377 20 0 JIADLO COC(=O)c1ccc(NC(=O)c2cccnc2N2CC[NH+](Cc3cccc(Cl)c3)CC2)c(C)c1 ZINC001318054174 1066874005 /nfs/dbraw/zinc/87/40/05/1066874005.db2.gz HXAAOTZUMVICIJ-UHFFFAOYSA-N 1 2 478.980 4.405 20 0 JIADLO O=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1)c1cc(Br)cc(C(F)(F)F)c1 ZINC001350082103 1066914057 /nfs/dbraw/zinc/91/40/57/1066914057.db2.gz DHZRFWBBSLACDZ-GOSISDBHSA-N 1 2 457.290 4.099 20 0 JIADLO O=C(NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)c1cc(Br)cc(C(F)(F)F)c1 ZINC001350082103 1066914076 /nfs/dbraw/zinc/91/40/76/1066914076.db2.gz DHZRFWBBSLACDZ-GOSISDBHSA-N 1 2 457.290 4.099 20 0 JIADLO C[C@@]1(c2ccc3ccccc3c2)NC(=O)N(C[NH+]2CCC([C@@H]3c4ccccc4NC3=O)CC2)C1=O ZINC001318166030 1066934251 /nfs/dbraw/zinc/93/42/51/1066934251.db2.gz JSCYSOYUMGMCMK-YWEHKCAJSA-N 1 2 468.557 4.012 20 0 JIADLO CSc1ccc([C@@H](CNC(=O)c2cc(C[NH+](C)C)on2)N2CCc3sccc3C2)cc1 ZINC001350522637 1066968000 /nfs/dbraw/zinc/96/80/00/1066968000.db2.gz NFNUBCMFCRNLFQ-OAQYLSRUSA-N 1 2 456.637 4.049 20 0 JIADLO O=C(COc1ccc(Br)cc1F)Nc1ccc2nc(C[NH+]3CCCCC3)[nH]c2c1 ZINC001318237847 1066978030 /nfs/dbraw/zinc/97/80/30/1066978030.db2.gz HYMFYTMPWKPHQS-UHFFFAOYSA-N 1 2 461.335 4.468 20 0 JIADLO O=C(Nc1ccc2nc(C[NH+]3CCCCC3)[nH]c2c1)[C@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC001318262988 1066990718 /nfs/dbraw/zinc/99/07/18/1066990718.db2.gz RPWJTCLEOXRDSH-LJQANCHMSA-N 1 2 451.958 4.194 20 0 JIADLO C[C@@H]1CCCN(S(=O)(=O)c2ccc(C(=O)Nc3ccc4nc(C[NH+]5CCCCC5)[nH]c4c3)cc2)C1 ZINC001318263455 1066990764 /nfs/dbraw/zinc/99/07/64/1066990764.db2.gz UXXKMKQKZDUSAO-LJQANCHMSA-N 1 2 495.649 4.222 20 0 JIADLO CN(C[C@H]1CC[N@H+](CC(=O)N(CC(F)(F)F)c2ccc(Cl)cc2)C1)C(=O)OC(C)(C)C ZINC001318293573 1067005107 /nfs/dbraw/zinc/00/51/07/1067005107.db2.gz JYTOVOSCPWQIGH-OAHLLOKOSA-N 1 2 463.928 4.424 20 0 JIADLO CN(C[C@H]1CC[N@@H+](CC(=O)N(CC(F)(F)F)c2ccc(Cl)cc2)C1)C(=O)OC(C)(C)C ZINC001318293573 1067005120 /nfs/dbraw/zinc/00/51/20/1067005120.db2.gz JYTOVOSCPWQIGH-OAHLLOKOSA-N 1 2 463.928 4.424 20 0 JIADLO CN(C(=O)OC(C)(C)C)C1(C)CC[NH+](CN2C(=O)NC(c3ccccc3)(c3ccccc3)C2=O)CC1 ZINC001318331164 1067020426 /nfs/dbraw/zinc/02/04/26/1067020426.db2.gz WGFKAEBOHLTXQM-UHFFFAOYSA-N 1 2 492.620 4.161 20 0 JIADLO Cc1ccc(C[N@@H+]2CCCN(C(=O)c3cccc(S(=O)(=O)Cc4ccccc4)c3)CC2)cc1 ZINC001318387179 1067035688 /nfs/dbraw/zinc/03/56/88/1067035688.db2.gz MDBUHDJSYXWYJY-UHFFFAOYSA-N 1 2 462.615 4.317 20 0 JIADLO Cc1ccc(C[N@H+]2CCCN(C(=O)c3cccc(S(=O)(=O)Cc4ccccc4)c3)CC2)cc1 ZINC001318387179 1067035717 /nfs/dbraw/zinc/03/57/17/1067035717.db2.gz MDBUHDJSYXWYJY-UHFFFAOYSA-N 1 2 462.615 4.317 20 0 JIADLO COc1cc[nH+]cc1Cn1c([C@H](C)Oc2ccccc2F)nnc1N(C)Cc1c(C)noc1C ZINC001300694142 1067047809 /nfs/dbraw/zinc/04/78/09/1067047809.db2.gz OEMGCURJOKTGIX-KRWDZBQOSA-N 1 2 466.517 4.250 20 0 JIADLO COc1cc[nH+]cc1Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCC(OC(C)C)CC1 ZINC001300694570 1067049189 /nfs/dbraw/zinc/04/91/89/1067049189.db2.gz CDZAGYKQLUSHHG-UHFFFAOYSA-N 1 2 465.598 4.320 20 0 JIADLO COc1cc[nH+]cc1Cn1c(Cn2nc(C)cc2C)nnc1N(C)[C@H](C)c1ccc(F)c(F)c1 ZINC001300695406 1067052140 /nfs/dbraw/zinc/05/21/40/1067052140.db2.gz WGSIDMBOXMPPPA-QGZVFWFLSA-N 1 2 467.524 4.067 20 0 JIADLO CC[NH+](CC)[C@H](C(=O)Nc1ncc(C(O)(C(F)(F)F)C(F)(F)F)s1)c1ccccc1 ZINC001318564032 1067052473 /nfs/dbraw/zinc/05/24/73/1067052473.db2.gz JAVOCQJZUMDXJY-ZDUSSCGKSA-N 1 2 455.424 4.477 20 0 JIADLO COc1cc[nH+]cc1Cn1c(N2CCO[C@@H](c3cccc(Br)c3)C2)nnc1C(C)(C)C ZINC001300701576 1067061976 /nfs/dbraw/zinc/06/19/76/1067061976.db2.gz CXZNFWZQTSGORR-HXUWFJFHSA-N 1 2 486.414 4.368 20 0 JIADLO COc1ncccc1Cn1c(N2CC[NH+](Cc3cccc(Cl)c3)CC2)nnc1C(C)(C)C ZINC001300711542 1067085633 /nfs/dbraw/zinc/08/56/33/1067085633.db2.gz GFBBCLWLCSYWEQ-UHFFFAOYSA-N 1 2 455.006 4.003 20 0 JIADLO COC1CCC(Cn2c(C(C)C)nnc2N2CCN(c3cc(C)[nH+]c(C(C)C)n3)CC2)CC1 ZINC001300722284 1067118629 /nfs/dbraw/zinc/11/86/29/1067118629.db2.gz WNJYLKAYFKYURL-UHFFFAOYSA-N 1 2 455.651 4.155 20 0 JIADLO Cc1cc(Cl)cc(Cl)c1NC(=S)NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC001200805897 1067229452 /nfs/dbraw/zinc/22/94/52/1067229452.db2.gz HZCPMRIKVNNYPY-UHFFFAOYSA-N 1 2 454.423 4.499 20 0 JIADLO CC(C)(C)OC(=O)NCc1ccccc1CNC(=O)[C@H](c1ccccc1)[NH+]1CCSCC1 ZINC001322279533 1067270267 /nfs/dbraw/zinc/27/02/67/1067270267.db2.gz OQZPPAGWWSIUPQ-QFIPXVFZSA-N 1 2 455.624 4.118 20 0 JIADLO NC(=O)c1ccc(C[NH+]2CCN(C(=O)c3ccccc3-c3ncc(-c4ccc(F)cc4)o3)CC2)cc1 ZINC001322601801 1067305615 /nfs/dbraw/zinc/30/56/15/1067305615.db2.gz RQRAGBRKYZUOJR-UHFFFAOYSA-N 1 2 484.531 4.205 20 0 JIADLO Cc1ccc(-c2noc(CCC[NH+]3CCN(C(=O)[C@@H]4Cc5ccc(C)cc5S4)CC3)n2)cc1 ZINC001322817447 1067309539 /nfs/dbraw/zinc/30/95/39/1067309539.db2.gz BQWSCOYGTFTGBT-QHCPKHFHSA-N 1 2 462.619 4.147 20 0 JIADLO COc1ccc(C)cc1C[NH+]1CCN(C(=O)N[C@@H]2CCCc3c2cnn3Cc2ccccc2)CC1 ZINC001323296676 1067317729 /nfs/dbraw/zinc/31/77/29/1067317729.db2.gz IABPCKDDCLVVGS-RUZDIDTESA-N 1 2 473.621 4.153 20 0 JIADLO CCOc1cc(-c2ccccc2)sc1C(=O)N[C@@H](C)C[NH+]1CCN(c2ccccn2)CC1 ZINC001355041007 1067355857 /nfs/dbraw/zinc/35/58/57/1067355857.db2.gz WDKYEESCIPKYQM-IBGZPJMESA-N 1 2 450.608 4.149 20 0 JIADLO COc1ccc(-c2nnc(N3C[C@@H](C)CC[C@H]3C)n2CCCNc2cccc[nH+]2)c(OC)c1 ZINC001300026449 1067397914 /nfs/dbraw/zinc/39/79/14/1067397914.db2.gz ZABWFYSRAYVCSN-RBUKOAKNSA-N 1 2 450.587 4.484 20 0 JIADLO O=C([C@H]1C[C@@H]1c1cc(F)c(F)c(F)c1)N1CC[NH+](Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC001355325656 1067420809 /nfs/dbraw/zinc/42/08/09/1067420809.db2.gz QWTIDVXGCYYEPF-SJORKVTESA-N 1 2 458.402 4.450 20 0 JIADLO O=C([C@H]1C[C@H]1c1cc(F)c(F)c(F)c1)N1CC[NH+](Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC001355325652 1067421193 /nfs/dbraw/zinc/42/11/93/1067421193.db2.gz QWTIDVXGCYYEPF-IRXDYDNUSA-N 1 2 458.402 4.450 20 0 JIADLO COc1ccc(-c2nnc(N3CC[C@@H](C)[C@@H]3C)n2Cc2ccc(N(C)C)[nH+]c2)cc1Br ZINC001300035770 1067443092 /nfs/dbraw/zinc/44/30/92/1067443092.db2.gz DKKBRHVXPPCGCU-CVEARBPZSA-N 1 2 485.430 4.460 20 0 JIADLO CC[N@@H+]1CCn2c(-c3cnn(C)c3)cnc2C12CCN(C(=S)Nc1cccc3ccccc31)CC2 ZINC001200097459 1067604654 /nfs/dbraw/zinc/60/46/54/1067604654.db2.gz JVKBIECNHGFBRK-UHFFFAOYSA-N 1 2 485.661 4.460 20 0 JIADLO CC[N@H+]1CCn2c(-c3cnn(C)c3)cnc2C12CCN(C(=S)Nc1cccc3ccccc31)CC2 ZINC001200097459 1067604673 /nfs/dbraw/zinc/60/46/73/1067604673.db2.gz JVKBIECNHGFBRK-UHFFFAOYSA-N 1 2 485.661 4.460 20 0 JIADLO COc1cccc(COCC(=O)N2CC[NH+](Cc3ccc(-c4ccccc4F)s3)CC2)c1 ZINC001355905522 1067604971 /nfs/dbraw/zinc/60/49/71/1067604971.db2.gz BVMGFVIBACIPFJ-UHFFFAOYSA-N 1 2 454.567 4.424 20 0 JIADLO CCOC(=O)c1cc(C(=O)N2CC[NH+](Cc3ccc(-c4cccc(F)c4)s3)CC2)[nH]c1C ZINC001356021000 1067636401 /nfs/dbraw/zinc/63/64/01/1067636401.db2.gz FENDTPFVRNTBLO-UHFFFAOYSA-N 1 2 455.555 4.325 20 0 JIADLO CSc1ccc([C@@H](CNc2nc3c(cnn3C)c(=O)[nH]2)[N@@H+]2CCc3sccc3C2)cc1 ZINC000487996042 1067804931 /nfs/dbraw/zinc/80/49/31/1067804931.db2.gz KLDQVOCXOUTDLH-GOSISDBHSA-N 1 2 452.609 4.064 20 0 JIADLO CSc1ccc([C@@H](CNc2nc3c(cnn3C)c(=O)[nH]2)[N@H+]2CCc3sccc3C2)cc1 ZINC000487996042 1067804935 /nfs/dbraw/zinc/80/49/35/1067804935.db2.gz KLDQVOCXOUTDLH-GOSISDBHSA-N 1 2 452.609 4.064 20 0 JIADLO CC[C@H](C)[C@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)c1ccc2nc(C(F)(F)F)cn2c1 ZINC001357247040 1067824070 /nfs/dbraw/zinc/82/40/70/1067824070.db2.gz OYRMQRDDOFVZCN-OXJNMPFZSA-N 1 2 459.516 4.429 20 0 JIADLO CC[C@H](C)[C@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)c1ccc2nc(C(F)(F)F)cn2c1 ZINC001357247040 1067824071 /nfs/dbraw/zinc/82/40/71/1067824071.db2.gz OYRMQRDDOFVZCN-OXJNMPFZSA-N 1 2 459.516 4.429 20 0 JIADLO Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)[C@H]2CC(=O)N(Cc3ccccc3Cl)C2)c(C)c1 ZINC001357331419 1067835641 /nfs/dbraw/zinc/83/56/41/1067835641.db2.gz YDAPCVSUKUIRQH-REWPJTCUSA-N 1 2 450.970 4.060 20 0 JIADLO Cc1ccnc(OC2CCN(C(=O)[C@@H](c3ccc(Br)cc3)[NH+]3CCCC3)CC2)c1 ZINC001357453977 1067852024 /nfs/dbraw/zinc/85/20/24/1067852024.db2.gz HHIMQCOSZCSZBH-JOCHJYFZSA-N 1 2 458.400 4.359 20 0 JIADLO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)Cc2ccc(NC(=O)OC(C)(C)C)cn2)C[C@H](C)O1 ZINC001357518101 1067862908 /nfs/dbraw/zinc/86/29/08/1067862908.db2.gz BAHIDUYRQAVFFC-HDICACEKSA-N 1 2 454.571 4.219 20 0 JIADLO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)Cc2ccc(NC(=O)OC(C)(C)C)cn2)C[C@H](C)O1 ZINC001357518101 1067862911 /nfs/dbraw/zinc/86/29/11/1067862911.db2.gz BAHIDUYRQAVFFC-HDICACEKSA-N 1 2 454.571 4.219 20 0 JIADLO C[C@@H](c1cccc(NC(=O)NCc2cc(F)c(Br)cc2F)c1)[NH+]1CCOCC1 ZINC001200233434 1067877798 /nfs/dbraw/zinc/87/77/98/1067877798.db2.gz QNPFATXVBOQTDB-ZDUSSCGKSA-N 1 2 454.315 4.442 20 0 JIADLO COc1ccc(C[NH+]2CCN(c3nnc([C@@H]4CCCCO4)n3C[C@H](OC)C(C)(C)C)CC2)cc1F ZINC001300231824 1067916436 /nfs/dbraw/zinc/91/64/36/1067916436.db2.gz BKSCCWJIXZTKPJ-GOTSBHOMSA-N 1 2 489.636 4.051 20 0 JIADLO CNC(=O)c1cccc(C(=O)N2CC[NH+](Cc3ccc(-c4cccc(Cl)c4)s3)CC2)c1 ZINC001353221712 1067922206 /nfs/dbraw/zinc/92/22/06/1067922206.db2.gz SBLJKUDXEFGTDO-UHFFFAOYSA-N 1 2 453.995 4.386 20 0 JIADLO COc1ccc(Cl)cc1CN(C)c1nnc([C@H]2CCCOC2)n1CCCNc1cccc[nH+]1 ZINC001300237621 1067933908 /nfs/dbraw/zinc/93/39/08/1067933908.db2.gz MLALVDKHDXHNMG-SFHVURJKSA-N 1 2 471.005 4.368 20 0 JIADLO CC(C)(C)OC(=O)N1[C@H](C(=O)Nc2cccc(C[NH+]3CCOCC3)c2)CC[C@@H]2CCCC[C@@H]21 ZINC001357927918 1067945309 /nfs/dbraw/zinc/94/53/09/1067945309.db2.gz JXNDKBYSFGDASU-PMVMPFDFSA-N 1 2 457.615 4.416 20 0 JIADLO COc1ccc(F)cc1C[NH+]1CCN(c2nnc(C(C)(C)C)n2Cc2cscc2C)CC1 ZINC001300244930 1067964567 /nfs/dbraw/zinc/96/45/67/1067964567.db2.gz CAZUNXROLLZELX-UHFFFAOYSA-N 1 2 457.619 4.464 20 0 JIADLO COc1ccc(F)cc1C[NH+]1CCN(c2nnc(C(C)(C)C)n2C[C@](C)(O)CCC(C)C)CC1 ZINC001300245087 1067965321 /nfs/dbraw/zinc/96/53/21/1067965321.db2.gz FMYASNLLCFNVNW-AREMUKBSSA-N 1 2 475.653 4.233 20 0 JIADLO C[N@@H+]1CCO[C@H]([C@H](NC(=O)CCc2ccc(OC(F)(F)F)cc2)c2ccc(Cl)cc2)C1 ZINC001358071340 1068008289 /nfs/dbraw/zinc/00/82/89/1068008289.db2.gz DKFCTICMBVOHIF-PZJWPPBQSA-N 1 2 456.892 4.359 20 0 JIADLO C[N@H+]1CCO[C@H]([C@H](NC(=O)CCc2ccc(OC(F)(F)F)cc2)c2ccc(Cl)cc2)C1 ZINC001358071340 1068008305 /nfs/dbraw/zinc/00/83/05/1068008305.db2.gz DKFCTICMBVOHIF-PZJWPPBQSA-N 1 2 456.892 4.359 20 0 JIADLO C/C(=C/c1ccc(Br)o1)C(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC001358071824 1068009097 /nfs/dbraw/zinc/00/90/97/1068009097.db2.gz JUORWIFYLFZXNO-NZCDRVSYSA-N 1 2 453.764 4.287 20 0 JIADLO C/C(=C/c1ccc(Br)o1)C(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC001358071824 1068009115 /nfs/dbraw/zinc/00/91/15/1068009115.db2.gz JUORWIFYLFZXNO-NZCDRVSYSA-N 1 2 453.764 4.287 20 0 JIADLO CCCN(CC)C(=O)c1ccc(C(=O)N[C@@H](c2ccc(Cl)cc2)[C@@H]2C[N@H+](C)CCO2)cc1 ZINC001358072416 1068009691 /nfs/dbraw/zinc/00/96/91/1068009691.db2.gz OGZSDMVCJBLTIQ-GOTSBHOMSA-N 1 2 458.002 4.014 20 0 JIADLO CCCN(CC)C(=O)c1ccc(C(=O)N[C@@H](c2ccc(Cl)cc2)[C@@H]2C[N@@H+](C)CCO2)cc1 ZINC001358072416 1068009705 /nfs/dbraw/zinc/00/97/05/1068009705.db2.gz OGZSDMVCJBLTIQ-GOTSBHOMSA-N 1 2 458.002 4.014 20 0 JIADLO COc1ccc(OCc2nnc(N(C)C3CCCCC3)n2Cc2ccc(N(C)C)[nH+]c2)cc1 ZINC001300263939 1068031580 /nfs/dbraw/zinc/03/15/80/1068031580.db2.gz BXFOPUSZKLYXHM-UHFFFAOYSA-N 1 2 450.587 4.144 20 0 JIADLO COc1ccc(OCc2nnc(N3C[C@@H](C)OC(C)(C)C3)n2CCCc2cccc(C)[nH+]2)cc1 ZINC001300269419 1068045564 /nfs/dbraw/zinc/04/55/64/1068045564.db2.gz MVPIRJFZCCSWAO-HXUWFJFHSA-N 1 2 465.598 4.206 20 0 JIADLO C[C@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)CCCOc1ccc2c(c1)CCCC2 ZINC001358432448 1068090022 /nfs/dbraw/zinc/09/00/22/1068090022.db2.gz CFHAEKIKMHYPTN-HSZRJFAPSA-N 1 2 450.623 4.474 20 0 JIADLO CCCOc1ccc(C(C)(C)C)cc1S(=O)(=O)NC1CC[NH+](CC(=O)C(C)(C)C)CC1 ZINC001200333374 1068099759 /nfs/dbraw/zinc/09/97/59/1068099759.db2.gz PMZMKZXHTKLQGA-UHFFFAOYSA-N 1 2 452.661 4.131 20 0 JIADLO O=C(Nc1nncs1)N1CC[NH+](Cc2ccc(-c3cccc(Br)c3)s2)CC1 ZINC000516481193 1068276082 /nfs/dbraw/zinc/27/60/82/1068276082.db2.gz VMFVCDDZHRVMBV-UHFFFAOYSA-N 1 2 464.414 4.379 20 0 JIADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)[C@H](Sc1ccccc1Cl)c1ccccc1 ZINC000518729823 1068311298 /nfs/dbraw/zinc/31/12/98/1068311298.db2.gz BCBASMLFMIRPEH-JOCHJYFZSA-N 1 2 456.999 4.341 20 0 JIADLO C[C@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)Nc1nnc(Cc2ccccc2F)s1 ZINC000524565643 1068353960 /nfs/dbraw/zinc/35/39/60/1068353960.db2.gz BULWVGSWYMHEOK-GOSISDBHSA-N 1 2 469.586 4.023 20 0 JIADLO Cc1nc(NCc2cccc(C(=O)N3CC[C@H](Oc4ccc(C(F)(F)F)cn4)C3)c2)cc[nH+]1 ZINC000622482940 1068362539 /nfs/dbraw/zinc/36/25/39/1068362539.db2.gz NZJDBAHYUQULGQ-IBGZPJMESA-N 1 2 457.456 4.104 20 0 JIADLO CC[NH+](CC)Cc1csc(NC(=O)c2ccc(OC)c(S(=O)(=O)N[C@@H]3CCCC[C@H]3C)c2)n1 ZINC001353719838 1068508358 /nfs/dbraw/zinc/50/83/58/1068508358.db2.gz QMQUZXLZWBKVEB-VQIMIIECSA-N 1 2 494.683 4.103 20 0 JIADLO COc1cccc([C@@H]2CCCN2c2nnc(C(=O)NC(C)C)n2CCCc2cccc(C)[nH+]2)c1 ZINC001300403772 1068562543 /nfs/dbraw/zinc/56/25/43/1068562543.db2.gz SXTBHPQXIHBUBC-QHCPKHFHSA-N 1 2 462.598 4.103 20 0 JIADLO COc1cccc(Cn2c(CC(C)(C)C)nnc2N2CC[NH+](Cc3cnc(C)s3)CC2)c1 ZINC001300427831 1068670183 /nfs/dbraw/zinc/67/01/83/1068670183.db2.gz GZWGQLWEWBVCTN-UHFFFAOYSA-N 1 2 454.644 4.011 20 0 JIADLO COc1cccc(OCCCn2c(N3CCc4c(cc[nH+]c4N(C)C)C3)nnc2C(C)(C)C)c1 ZINC001300452682 1068762017 /nfs/dbraw/zinc/76/20/17/1068762017.db2.gz ZXDJQKVVTKYLEX-UHFFFAOYSA-N 1 2 464.614 4.077 20 0 JIADLO COc1ccccc1-c1nnc(N(C)CCC(F)(F)F)n1Cc1ccc(N2CCO[C@@H](C)C2)[nH+]c1 ZINC001300473943 1068819568 /nfs/dbraw/zinc/81/95/68/1068819568.db2.gz ACWLQEMGKBLLMH-KRWDZBQOSA-N 1 2 490.530 4.011 20 0 JIADLO COCC[S@](=O)Cc1cccc(NC(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)c1 ZINC001200541255 1068856953 /nfs/dbraw/zinc/85/69/53/1068856953.db2.gz BJXBSKOVWNMSSH-YTTGMZPUSA-N 1 2 450.564 4.141 20 0 JIADLO CCN(C(=O)c1scnc1Br)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC001354066541 1068875978 /nfs/dbraw/zinc/87/59/78/1068875978.db2.gz XRZAIMKREPEFDE-UHFFFAOYSA-N 1 2 452.422 4.259 20 0 JIADLO COc1ccc([C@H]2[C@H](C(=O)Nc3cc[nH+]c(C)c3)CCC(=O)N2c2ccc(C)cc2)cc1OC ZINC000849209045 1068967015 /nfs/dbraw/zinc/96/70/15/1068967015.db2.gz UOPVWMFAHLVNDH-GJZUVCINSA-N 1 2 459.546 4.261 20 0 JIADLO COc1ccc([C@@H]2CC(c3cccs3)=NN2C(=O)CO[NH+]=C(N)c2ccccc2C)cc1OC ZINC000849213961 1068973431 /nfs/dbraw/zinc/97/34/31/1068973431.db2.gz VITOHCBBKNBGDD-FQEVSTJZSA-N 1 2 478.574 4.298 20 0 JIADLO COc1ccc([C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2NC(=O)c2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC001300575963 1069098541 /nfs/dbraw/zinc/09/85/41/1069098541.db2.gz PXEOGJVARSIJRU-ZEQRLZLVSA-N 1 2 476.577 4.404 20 0 JIADLO COCCCn1c2nn(C[N@H+](CC3CCCCC3)C3CC3)c(=S)n2c2ccccc2c1=O ZINC000058434740 195379179 /nfs/dbraw/zinc/37/91/79/195379179.db2.gz XXCWXMXDNZXXGT-UHFFFAOYSA-N 1 2 455.628 4.219 20 0 JIADLO COCCCn1c2nn(C[N@@H+](CC3CCCCC3)C3CC3)c(=S)n2c2ccccc2c1=O ZINC000058434740 195379182 /nfs/dbraw/zinc/37/91/82/195379182.db2.gz XXCWXMXDNZXXGT-UHFFFAOYSA-N 1 2 455.628 4.219 20 0 JIADLO CCOC(=O)c1sc2nc(C[NH+]3CCCCC3)nc(N3C[C@H]4[C@H](CC4(F)F)C3)c2c1C ZINC001164411241 718870996 /nfs/dbraw/zinc/87/09/96/718870996.db2.gz OMQJQAOJYZXLAN-CABCVRRESA-N 1 2 450.555 4.254 20 0 JIADLO CCN1CCn2c(-c3ccccc3)cnc2C12CCN(c1nc(N3CCCC3)c(C)c[nH+]1)CC2 ZINC001164659392 719345043 /nfs/dbraw/zinc/34/50/43/719345043.db2.gz BZWSSJVYUGCEKB-UHFFFAOYSA-N 1 2 457.626 4.080 20 0 JIADLO CCOC(=O)c1cnc(N2CCC3(CC2)c2ncc(-c4ccccc4)n2CC[N@H+]3CC)c(C)c1 ZINC001164664518 719348390 /nfs/dbraw/zinc/34/83/90/719348390.db2.gz WTHMTCOVMQAIQS-UHFFFAOYSA-N 1 2 459.594 4.261 20 0 JIADLO CCOC(=O)c1cnc(N2CCC3(CC2)c2ncc(-c4ccccc4)n2CC[N@@H+]3CC)c(C)c1 ZINC001164664518 719348392 /nfs/dbraw/zinc/34/83/92/719348392.db2.gz WTHMTCOVMQAIQS-UHFFFAOYSA-N 1 2 459.594 4.261 20 0 JIADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ccc2cc(OCc3ccccc3)ccc2n1 ZINC001164705111 719859144 /nfs/dbraw/zinc/85/91/44/719859144.db2.gz SWLTWRLEXFASHL-NEKDWFFYSA-N 1 2 475.589 4.047 20 0 JIADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nc2ccc(Cl)cc2c(-c2ccccc2)n1 ZINC001164708475 719867279 /nfs/dbraw/zinc/86/72/79/719867279.db2.gz ZKWPPFLYMPGROT-RXFWQSSRSA-N 1 2 480.996 4.183 20 0 JIADLO CC(=O)NC[C@H]1c2[nH+]cn(C(C)C)c2CCN1C(F)(F)c1ccc2nc(Cl)c(Cl)nc2c1 ZINC001164723756 720313339 /nfs/dbraw/zinc/31/33/39/720313339.db2.gz OYDMCCWPKCDPDD-KRWDZBQOSA-N 1 2 483.350 4.499 20 0 JIADLO CC(=O)NC[C@@H]1c2[nH+]cn(C(C)C)c2CCN1C(F)(F)c1cccc2c(Cl)nc(Cl)nc21 ZINC001164721347 720313508 /nfs/dbraw/zinc/31/35/08/720313508.db2.gz GKDLQHHJNCUOOQ-MRXNPFEDSA-N 1 2 483.350 4.499 20 0 JIADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4cc(Cl)nc5ccc(F)cc54)CC3)C2=O)cs1 ZINC001164823118 720364064 /nfs/dbraw/zinc/36/40/64/720364064.db2.gz ASFAAOPOJUQGMB-UHFFFAOYSA-N 1 2 474.005 4.105 20 0 JIADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4cc(Cl)nc5ccc(F)cc54)CC3)C2=O)cs1 ZINC001164823118 720364071 /nfs/dbraw/zinc/36/40/71/720364071.db2.gz ASFAAOPOJUQGMB-UHFFFAOYSA-N 1 2 474.005 4.105 20 0 JIADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4nc(Cl)ccc4-c4ccccc4)CC3)C2=O)cs1 ZINC001164824792 720370289 /nfs/dbraw/zinc/37/02/89/720370289.db2.gz LKGATHYCSRDSOT-UHFFFAOYSA-N 1 2 482.053 4.480 20 0 JIADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4nc(Cl)ccc4-c4ccccc4)CC3)C2=O)cs1 ZINC001164824792 720370296 /nfs/dbraw/zinc/37/02/96/720370296.db2.gz LKGATHYCSRDSOT-UHFFFAOYSA-N 1 2 482.053 4.480 20 0 JIADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4nnc(Cl)c5ccc(Cl)cc54)CC3)C2=O)cs1 ZINC001164821821 720382595 /nfs/dbraw/zinc/38/25/95/720382595.db2.gz IWRNDNPZNAFRRE-UHFFFAOYSA-N 1 2 491.448 4.015 20 0 JIADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4nnc(Cl)c5ccc(Cl)cc54)CC3)C2=O)cs1 ZINC001164821821 720382600 /nfs/dbraw/zinc/38/26/00/720382600.db2.gz IWRNDNPZNAFRRE-UHFFFAOYSA-N 1 2 491.448 4.015 20 0 JIADLO Fc1ccc(-c2ncnc3c2CCN(c2ncnc4c2C[N@H+](Cc2ccccc2)CC4)CC3)cc1 ZINC001164775911 721315473 /nfs/dbraw/zinc/31/54/73/721315473.db2.gz LASVBJBRYXNGHK-UHFFFAOYSA-N 1 2 466.564 4.236 20 0 JIADLO Fc1ccc(-c2ncnc3c2CCN(c2ncnc4c2C[N@@H+](Cc2ccccc2)CC4)CC3)cc1 ZINC001164775911 721315477 /nfs/dbraw/zinc/31/54/77/721315477.db2.gz LASVBJBRYXNGHK-UHFFFAOYSA-N 1 2 466.564 4.236 20 0 JIADLO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3nc(Cl)ccc3CN3CCCC3)C2)C1 ZINC001164778216 721354934 /nfs/dbraw/zinc/35/49/34/721354934.db2.gz LGUAIURDTDMJNN-RUZDIDTESA-N 1 2 474.049 4.055 20 0 JIADLO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3nc(Cl)ccc3CN3CCCC3)C2)C1 ZINC001164778216 721354938 /nfs/dbraw/zinc/35/49/38/721354938.db2.gz LGUAIURDTDMJNN-RUZDIDTESA-N 1 2 474.049 4.055 20 0 JIADLO FC(F)(c1cc(-c2cccs2)nnc1Cl)N1C[C@@H]2C[NH+](Cc3nccs3)C[C@H]2C1 ZINC001164784640 721428163 /nfs/dbraw/zinc/42/81/63/721428163.db2.gz LKFSJNOSYFJPQS-STQMWFEESA-N 1 2 453.971 4.428 20 0 JIADLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(C(F)(F)c1ccc3c(Cl)nc(Cl)nc3c1)C2 ZINC001165010291 721706502 /nfs/dbraw/zinc/70/65/02/721706502.db2.gz GYOMRDGYXMFWNL-UHFFFAOYSA-N 1 2 470.355 4.324 20 0 JIADLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(C(F)(F)c1ccc3c(Cl)nc(Cl)nc3c1)C2 ZINC001165010291 721706511 /nfs/dbraw/zinc/70/65/11/721706511.db2.gz GYOMRDGYXMFWNL-UHFFFAOYSA-N 1 2 470.355 4.324 20 0 JIADLO COc1ccc(-c2csc3ncnc(N4CCCn5c(C[N@H+](C)C(C)C)nnc5C4)c23)cc1 ZINC001165009027 721712645 /nfs/dbraw/zinc/71/26/45/721712645.db2.gz NGZPAMDQBGRYPR-UHFFFAOYSA-N 1 2 463.611 4.209 20 0 JIADLO COc1ccc(-c2csc3ncnc(N4CCCn5c(C[N@@H+](C)C(C)C)nnc5C4)c23)cc1 ZINC001165009027 721712647 /nfs/dbraw/zinc/71/26/47/721712647.db2.gz NGZPAMDQBGRYPR-UHFFFAOYSA-N 1 2 463.611 4.209 20 0 JIADLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(C(F)(F)c1cc(Cl)c(Cl)nc1Cl)C2 ZINC001165009691 721713000 /nfs/dbraw/zinc/71/30/00/721713000.db2.gz VLZJCVXBPZGPHW-UHFFFAOYSA-N 1 2 453.752 4.429 20 0 JIADLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(C(F)(F)c1cc(Cl)c(Cl)nc1Cl)C2 ZINC001165009691 721713002 /nfs/dbraw/zinc/71/30/02/721713002.db2.gz VLZJCVXBPZGPHW-UHFFFAOYSA-N 1 2 453.752 4.429 20 0 JIADLO Cc1sc2nc(-c3cccnc3)nc(N3CCCn4c(C[N@@H+](C)C(C)C)nnc4C3)c2c1C ZINC001165008303 721713534 /nfs/dbraw/zinc/71/35/34/721713534.db2.gz DSCRXQGNTBDQJE-UHFFFAOYSA-N 1 2 462.627 4.212 20 0 JIADLO Cc1sc2nc(-c3cccnc3)nc(N3CCCn4c(C[N@H+](C)C(C)C)nnc4C3)c2c1C ZINC001165008303 721713539 /nfs/dbraw/zinc/71/35/39/721713539.db2.gz DSCRXQGNTBDQJE-UHFFFAOYSA-N 1 2 462.627 4.212 20 0 JIADLO CC(=O)NC1CCC(N(C)c2nnc(CC(C)(C)C)n2Cc2ccc(N3CCC(C)CC3)[nH+]c2)CC1 ZINC001359414107 1069536473 /nfs/dbraw/zinc/53/64/73/1069536473.db2.gz YKJOYVNJSKDTRX-UHFFFAOYSA-N 1 2 495.716 4.430 20 0 JIADLO CC(C)C(C)(C)Cn1c(COc2ccc(Br)cc2)nnc1N(C)CC[NH+]1CCOCC1 ZINC001359646979 1070197726 /nfs/dbraw/zinc/19/77/26/1070197726.db2.gz LSNHWJWGWJDDHE-UHFFFAOYSA-N 1 2 494.478 4.070 20 0 JIADLO COc1ccc(C[NH+]2CCN(c3nnc(-c4ccccn4)n3CCC=C(C)C)CC2)cc1F ZINC001315505571 1064419800 /nfs/dbraw/zinc/41/98/00/1064419800.db2.gz WFUVOEPYBQIUDN-UHFFFAOYSA-N 1 2 450.562 4.166 20 0 JIADLO COc1ccc(F)cc1C[NH+]1CCN(c2nnc(C3CCC3)n2C[C@H](OC)C(C)(C)C)CC1 ZINC001315515463 1064462319 /nfs/dbraw/zinc/46/23/19/1064462319.db2.gz MZRWNUUUPMUCIM-QFIPXVFZSA-N 1 2 459.610 4.077 20 0 JIADLO COc1ccc(F)cc1C[NH+]1CCN(c2nnc(CC(C)C)n2C[C@@H]2CCCSC2)CC1 ZINC001315515338 1064462402 /nfs/dbraw/zinc/46/24/02/1064462402.db2.gz LXWVXTBJJWPDRJ-IBGZPJMESA-N 1 2 461.651 4.090 20 0 JIADLO COc1ccc(O[C@@H](C)Cn2c(C(C)C)nnc2N2CCN(c3cc(C)[nH+]c(C(C)C)n3)CC2)cc1 ZINC001315517583 1064470520 /nfs/dbraw/zinc/47/05/20/1064470520.db2.gz DVMCNSZAELFFIH-NRFANRHFSA-N 1 2 493.656 4.426 20 0 JIADLO COc1ccc(OCc2nnc(N3CCC(C)(C)CC3)n2Cc2ccc(N(C)C)[nH+]c2)cc1 ZINC001315528149 1064506940 /nfs/dbraw/zinc/50/69/40/1064506940.db2.gz ACYOWEBKRGWIQB-UHFFFAOYSA-N 1 2 450.587 4.001 20 0 JIADLO COc1ccc(OCc2nnc(N3CC=C(C(F)(F)F)CC3)n2CCCNc2cccc[nH+]2)cc1 ZINC001315528860 1064509355 /nfs/dbraw/zinc/50/93/55/1064509355.db2.gz PJGIVWIPYYANNM-UHFFFAOYSA-N 1 2 488.514 4.462 20 0 JIADLO COc1cccc([C@@H](C)[NH+]2CCN(c3nnc(C(C)(C)C)n3CC[S@](=O)C(C)(C)C)CC2)c1 ZINC001315546999 1064555337 /nfs/dbraw/zinc/55/53/37/1064555337.db2.gz ZOJMXOROSFDYQY-ASPBEGMCSA-N 1 2 475.703 4.015 20 0 JIADLO COc1ccccc1Cc1nnc(N(Cc2cccs2)C(C)C)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001315617793 1064748363 /nfs/dbraw/zinc/74/83/63/1064748363.db2.gz ILLPZBRUUGDPAB-FQEVSTJZSA-N 1 2 469.655 4.075 20 0 JIADLO COc1ccccc1Cc1nnc(N(Cc2cccs2)C(C)C)n1CC[N@H+]1CCOC[C@@H]1C ZINC001315617793 1064748374 /nfs/dbraw/zinc/74/83/74/1064748374.db2.gz ILLPZBRUUGDPAB-FQEVSTJZSA-N 1 2 469.655 4.075 20 0 JIADLO COc1ccccc1OCc1nnc(N2CCS[C@@H](C)[C@H]2C)n1CCCNc1cccc[nH+]1 ZINC001315660140 1064856260 /nfs/dbraw/zinc/85/62/60/1064856260.db2.gz ZKLOTYPBHOHQEC-MOPGFXCFSA-N 1 2 468.627 4.093 20 0 JIADLO COc1ccccc1SCc1nnc(N2CCC[C@H]2CSC)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001315663516 1064870224 /nfs/dbraw/zinc/87/02/24/1064870224.db2.gz APNBRYHBUZLIKR-IBGZPJMESA-N 1 2 484.695 4.420 20 0 JIADLO COc1ccccc1SCc1nnc(N2CC[C@H](C(C)C)C2)n1CC[N@@H+]1CCOCC1(C)C ZINC001315664992 1064877333 /nfs/dbraw/zinc/87/73/33/1064877333.db2.gz NXNFSPPTCLFUFS-FQEVSTJZSA-N 1 2 473.687 4.172 20 0 JIADLO COc1ccccc1SCc1nnc(N2CC[C@H](C(C)C)C2)n1CC[N@H+]1CCOCC1(C)C ZINC001315664992 1064877335 /nfs/dbraw/zinc/87/73/35/1064877335.db2.gz NXNFSPPTCLFUFS-FQEVSTJZSA-N 1 2 473.687 4.172 20 0 JIADLO COc1ccccc1SCc1nnc(N2CCSC[C@@H]2C)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001315666920 1064885142 /nfs/dbraw/zinc/88/51/42/1064885142.db2.gz ANFKDUXEZLLUQX-KRWDZBQOSA-N 1 2 470.668 4.030 20 0 JIADLO COc1cc[nH+]cc1Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCC[C@@](C)(OC)CC1 ZINC001315671190 1064900407 /nfs/dbraw/zinc/90/04/07/1064900407.db2.gz BYUUPAMCPHAVRI-XMMPIXPASA-N 1 2 455.990 4.370 20 0 JIADLO COc1cc[nH+]cc1Cn1c(CC2CCCC2)nnc1N1CCC(CNC(=O)OC(C)(C)C)CC1 ZINC001315671158 1064900460 /nfs/dbraw/zinc/90/04/60/1064900460.db2.gz BORSAYHVJILJOX-UHFFFAOYSA-N 1 2 484.645 4.204 20 0 JIADLO COc1cc[nH+]cc1Cn1c(COc2ccccc2F)nnc1N1CCO[C@@](C)(C(C)(C)C)C1 ZINC001315672429 1064903114 /nfs/dbraw/zinc/90/31/14/1064903114.db2.gz LVSBWYMIJKVAPC-RUZDIDTESA-N 1 2 469.561 4.090 20 0 JIADLO COc1cc[nH+]cc1Cn1c(CNC(=O)c2cccs2)nnc1N(C)[C@@H](C)c1ccccc1F ZINC001315673345 1064905987 /nfs/dbraw/zinc/90/59/87/1064905987.db2.gz ZUDVXLWMGHUUHF-INIZCTEOSA-N 1 2 480.569 4.058 20 0 JIADLO CO[C@@H]1CCCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2CCCc2cccc(C)[nH+]2)C1 ZINC001315701126 1064964902 /nfs/dbraw/zinc/96/49/02/1064964902.db2.gz IWQQHYRVTPKDRV-HSZRJFAPSA-N 1 2 498.672 4.344 20 0 JIADLO CO[C@H]1CCCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2Cc2ccc(N(C)C)[nH+]c2)C1 ZINC001315708201 1064983210 /nfs/dbraw/zinc/98/32/10/1064983210.db2.gz UUMJWLUNVFLRPR-QHCPKHFHSA-N 1 2 478.641 4.279 20 0 JIADLO CO[C@H]1CN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCCc2cccc(C)[nH+]2)CC[C@@H]1C ZINC001315710653 1064986843 /nfs/dbraw/zinc/98/68/43/1064986843.db2.gz UNFQNVLHFPDWMF-CYFREDJKSA-N 1 2 476.625 4.345 20 0 JIADLO CO[C@H]1CN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCCc2cccc(C)[nH+]2)CC[C@H]1C ZINC001315710654 1064987540 /nfs/dbraw/zinc/98/75/40/1064987540.db2.gz UNFQNVLHFPDWMF-DVECYGJZSA-N 1 2 476.625 4.345 20 0 JIADLO CO[C@@H]1CN(c2nnc(-c3cccc(Br)c3)n2Cc2ccc(N(C)C)[nH+]c2)CC[C@H]1C ZINC001315711750 1064990484 /nfs/dbraw/zinc/99/04/84/1064990484.db2.gz GEJLRBPOIJSGEF-OXQOHEQNSA-N 1 2 485.430 4.078 20 0 JIADLO COCC1(C)CCN(c2nnc(C(C)(C)C)n2C[C@H](c2cccc(C)c2)[NH+]2CCOCC2)CC1 ZINC001315828233 1065186409 /nfs/dbraw/zinc/18/64/09/1065186409.db2.gz KQDORIABEIGTQC-HSZRJFAPSA-N 1 2 469.674 4.210 20 0 JIADLO COCC1(C)CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2C[C@H](C)[NH+]2CCOCC2)CC1 ZINC001315828957 1065188823 /nfs/dbraw/zinc/18/88/23/1065188823.db2.gz QMMYPYSPHAAMGS-VQTJNVASSA-N 1 2 492.064 4.045 20 0 JIADLO COCCCn1c(-c2ccccc2Cl)nnc1N(C)C[C@H](c1cccs1)[NH+]1CCOCC1 ZINC001316038167 1065655140 /nfs/dbraw/zinc/65/51/40/1065655140.db2.gz CNJZCFUTOIRAML-HXUWFJFHSA-N 1 2 476.046 4.206 20 0 JIADLO COCCN(c1nnc(-c2ccc(Cl)nc2)n1Cc1ccc(N(C)C)[nH+]c1)[C@@H]1CC[C@@H](C)C1 ZINC001316079465 1065724151 /nfs/dbraw/zinc/72/41/51/1065724151.db2.gz MOORQTAXAMJZCZ-YLJYHZDGSA-N 1 2 470.021 4.144 20 0 JIADLO COCCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1c[nH+]ccc1OC)[C@H]1CC[C@H](C)C1 ZINC001316080112 1065725672 /nfs/dbraw/zinc/72/56/72/1065725672.db2.gz AVDWAJMBMWWFMP-VXPBHUBDSA-N 1 2 471.646 4.290 20 0 JIADLO COCCN(c1nnc(C(C)(C)C)n1C[C@H](c1ccccc1)[NH+]1CCOCC1)[C@H]1CC[C@H](C)C1 ZINC001316083039 1065731032 /nfs/dbraw/zinc/73/10/32/1065731032.db2.gz RIYDSVVHTWGBQC-OEMFJLHTSA-N 1 2 469.674 4.291 20 0 JIADLO COCCO[C@H](C)c1nnc(N2C[C@H](C)C[C@@H](C)C2)n1Cc1ccc(N2CCCCCC2)[nH+]c1 ZINC001316160191 1065826378 /nfs/dbraw/zinc/82/63/78/1065826378.db2.gz HEHZTRGEIIXRQZ-YPAWHYETSA-N 1 2 470.662 4.308 20 0 JIADLO COCCO[C@@H](C)c1nnc(N2CCC[C@H]2c2cccc(C)c2)n1Cc1c[nH+]ccc1OC ZINC001316193329 1065886413 /nfs/dbraw/zinc/88/64/13/1065886413.db2.gz NURKXKHZDOWCEK-UGKGYDQZSA-N 1 2 451.571 4.104 20 0 JIADLO CSc1ccc(F)cc1Cn1c(N2CC[NH+](Cc3cc(C)no3)CC2)nnc1C(C)(C)C ZINC001316418223 1066219018 /nfs/dbraw/zinc/21/90/18/1066219018.db2.gz CCYGJSJKOCQQQK-UHFFFAOYSA-N 1 2 458.607 4.104 20 0 JIADLO CS[C@H]1CCCCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCCc2cccc(C)[nH+]2)C1 ZINC001316422479 1066231606 /nfs/dbraw/zinc/23/16/06/1066231606.db2.gz IATTURDEYQEUFW-QFIPXVFZSA-N 1 2 499.706 4.407 20 0 JIADLO CSCc1cccc(Cn2c(CC(C)(C)C)nnc2N2CCN(c3cccc[nH+]3)CC2)c1 ZINC001316435250 1066285092 /nfs/dbraw/zinc/28/50/92/1066285092.db2.gz WIUXLXKBRINXSP-UHFFFAOYSA-N 1 2 450.656 4.500 20 0 JIADLO CC(C)(C)OC(=O)N[C@@H](c1noc([C@@H]2C[N@H+](Cc3ccccc3)CCO2)n1)c1ccccc1 ZINC001332503138 1066377581 /nfs/dbraw/zinc/37/75/81/1066377581.db2.gz ZRNKNLRFQWTVKS-LEWJYISDSA-N 1 2 450.539 4.257 20 0 JIADLO CC(C)(C)OC(=O)N[C@@H](c1noc([C@@H]2C[N@@H+](Cc3ccccc3)CCO2)n1)c1ccccc1 ZINC001332503138 1066377596 /nfs/dbraw/zinc/37/75/96/1066377596.db2.gz ZRNKNLRFQWTVKS-LEWJYISDSA-N 1 2 450.539 4.257 20 0 JIADLO Cc1cccc(CCCn2c(C(=O)Nc3ccccn3)nnc2N(C)Cc2ccc(F)cc2F)[nH+]1 ZINC001492525315 1066404484 /nfs/dbraw/zinc/40/44/84/1066404484.db2.gz PVMBMCPURWGCKD-UHFFFAOYSA-N 1 2 477.519 4.176 20 0 JIADLO Cc1cccc(CCCn2c(-c3ccccn3)nnc2N2CCC[C@H](CNC(=O)OC(C)(C)C)C2)[nH+]1 ZINC001492525410 1066405906 /nfs/dbraw/zinc/40/59/06/1066405906.db2.gz AWDQVUPZHYCZFE-OAQYLSRUSA-N 1 2 491.640 4.417 20 0 JIADLO Cc1cccc(CCCn2c(C(=O)NCc3ccc(Cl)cc3)nnc2N(C)Cc2nccs2)[nH+]1 ZINC001492525714 1066407169 /nfs/dbraw/zinc/40/71/69/1066407169.db2.gz WPXVPBONFNCSOB-UHFFFAOYSA-N 1 2 496.040 4.291 20 0 JIADLO Cc1nc(Cc2nnc(N3CCC[C@H](NC(=O)C(C)(C)C)C3)n2CCCc2cccc(C)[nH+]2)cs1 ZINC001492526642 1066416739 /nfs/dbraw/zinc/41/67/39/1066416739.db2.gz GUVFIUMQWFNFFN-NRFANRHFSA-N 1 2 495.697 4.101 20 0 JIADLO Cc1cc(C(=O)N2CCN(c3nnc(CC(C)(C)C)n3CCCc3cccc(C)[nH+]3)CC2)c(C)o1 ZINC001492527014 1066418709 /nfs/dbraw/zinc/41/87/09/1066418709.db2.gz SQFHBOAKBZBVCZ-UHFFFAOYSA-N 1 2 478.641 4.375 20 0 JIADLO FC(F)(Br)Cn1c(-c2ccccc2Cl)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC001316508395 1066487152 /nfs/dbraw/zinc/48/71/52/1066487152.db2.gz JEHMRGCVUMFZNK-UHFFFAOYSA-N 1 2 483.748 4.308 20 0 JIADLO O=C(NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1)c1ccc(NC(=O)c2ccc(=O)[nH]c2)cc1 ZINC001337603951 1066498978 /nfs/dbraw/zinc/49/89/78/1066498978.db2.gz JFAYABTVUABKSJ-NRFANRHFSA-N 1 2 482.943 4.399 20 0 JIADLO Cc1cccc([C@H](Cn2c(C(C)C)nnc2N(C)Cc2cnc(C(C)C)nc2)[NH+]2CCOCC2)c1 ZINC001492479999 1066625592 /nfs/dbraw/zinc/62/55/92/1066625592.db2.gz JLMSASIZACOWMD-DEOSSOPVSA-N 1 2 477.657 4.333 20 0 JIADLO Cc1cccc(OCc2nnc(N(C)CC[NH+]3CCOCC3)n2CC2CCC(C(F)(F)F)CC2)c1 ZINC001492540050 1066627044 /nfs/dbraw/zinc/62/70/44/1066627044.db2.gz RFIBRZCRHBIAKW-UHFFFAOYSA-N 1 2 495.590 4.303 20 0 JIADLO Cc1ccc(S(=O)(=O)NCCC(=O)O[C@@H](Cn2cc[nH+]c2)c2ccc(Cl)cc2Cl)cc1C ZINC001344515352 1066629797 /nfs/dbraw/zinc/62/97/97/1066629797.db2.gz VWNGTJZSQDNYAN-NRFANRHFSA-N 1 2 496.416 4.460 20 0 JIADLO O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)O[C@H](Cn1cc[nH+]c1)c1ccc(Cl)cc1Cl ZINC001344788859 1066636489 /nfs/dbraw/zinc/63/64/89/1066636489.db2.gz WVOQYGRLSMGQFK-DMUMMCEESA-N 1 2 483.421 4.200 20 0 JIADLO Cc1cccc2c(=O)n(CC(=O)O[C@@H](Cn3cc[nH+]c3)c3ccc(Cl)cc3Cl)cnc12 ZINC001348138409 1066722472 /nfs/dbraw/zinc/72/24/72/1066722472.db2.gz ACGYQUFPWHNOGZ-IBGZPJMESA-N 1 2 457.317 4.193 20 0 JIADLO CN(C1CCCCC1)S(=O)(=O)c1ccc(NC(=O)c2cccc(Cn3cc[nH+]c3)c2)cc1 ZINC001348248667 1066730698 /nfs/dbraw/zinc/73/06/98/1066730698.db2.gz ZHYXVEJWIUYGJS-UHFFFAOYSA-N 1 2 452.580 4.137 20 0 JIADLO COc1cc(Br)c(OC)c(C(=O)Nc2ccccc2C[NH+]2C[C@@H](C)O[C@H](C)C2)c1 ZINC001317865178 1066741240 /nfs/dbraw/zinc/74/12/40/1066741240.db2.gz ZWZHWFHRTBDIAD-HUUCEWRRSA-N 1 2 463.372 4.328 20 0 JIADLO C[C@@H](Sc1nc2ccsc2c(=O)n1CCC[NH+]1CCOCC1)c1ccc(F)c(F)c1 ZINC001317945390 1066803165 /nfs/dbraw/zinc/80/31/65/1066803165.db2.gz JJWDIKSEBWRCCR-CQSZACIVSA-N 1 2 451.564 4.312 20 0 JIADLO O=C(Nc1ccc2nc(C[NH+]3CCCCC3)[nH]c2c1)[C@@H]1CC(=O)N(Cc2ccccc2Cl)C1 ZINC001318209375 1066960069 /nfs/dbraw/zinc/96/00/69/1066960069.db2.gz CIUKJASZKXKTDP-GOSISDBHSA-N 1 2 465.985 4.189 20 0 JIADLO CSCC[C@H](NC(=O)c1ccccc1)C(=O)Nc1ccc2nc(C[NH+]3CCCCC3)[nH]c2c1 ZINC001318263437 1066990474 /nfs/dbraw/zinc/99/04/74/1066990474.db2.gz UOQOPSBYHNGEIH-NRFANRHFSA-N 1 2 465.623 4.039 20 0 JIADLO COc1cc(/C=C2/CCc3c2nc2ccccc2c3C(=O)NCCc2[nH+]ccn2C)cc(OC)c1OC ZINC001350868525 1067012563 /nfs/dbraw/zinc/01/25/63/1067012563.db2.gz HFRVMKJSKQHTGS-CYVLTUHYSA-N 1 2 498.583 4.453 20 0 JIADLO Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)Nc1ccc2nc(C[NH+]3CCCCC3)[nH]c2c1 ZINC001318418689 1067040127 /nfs/dbraw/zinc/04/01/27/1067040127.db2.gz TWBDFOIKKYMZBM-UHFFFAOYSA-N 1 2 495.649 4.284 20 0 JIADLO COc1cc[nH+]cc1Cn1c(-c2ccccc2Cl)nnc1N(C)Cc1cn(C)nc1C(F)(F)F ZINC001300692350 1067041887 /nfs/dbraw/zinc/04/18/87/1067041887.db2.gz DZAIXVNYZIHJJG-UHFFFAOYSA-N 1 2 491.905 4.439 20 0 JIADLO COc1cc[nH+]cc1Cn1c(-c2ccc(C)o2)nnc1N1CCC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1 ZINC001300693964 1067047222 /nfs/dbraw/zinc/04/72/22/1067047222.db2.gz LYXAGNJUQKIKMH-OALUTQOASA-N 1 2 496.612 4.428 20 0 JIADLO COc1cc[nH+]cc1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCO[C@](C)(C(C)(C)C)C1 ZINC001300701867 1067063154 /nfs/dbraw/zinc/06/31/54/1067063154.db2.gz KHPKKGALPDDRAA-KCPMXOJXSA-N 1 2 471.646 4.290 20 0 JIADLO COc1cc[nH+]cc1Cn1c(N2CCO[C@H](c3ccc(F)cc3Cl)C2)nnc1C(C)(C)C ZINC001300702096 1067063788 /nfs/dbraw/zinc/06/37/88/1067063788.db2.gz OGOKPZOWBSCUQS-FQEVSTJZSA-N 1 2 459.953 4.398 20 0 JIADLO COc1ccc(C(=O)Nc2ccc(C(=O)NCc3ccc(-n4cc[nH+]c4)c(F)c3)s2)cc1 ZINC001351406175 1067090582 /nfs/dbraw/zinc/09/05/82/1067090582.db2.gz OXFVRXMWDDODCE-UHFFFAOYSA-N 1 2 450.495 4.264 20 0 JIADLO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)c2cnc(OC3CCOCC3)c(Cl)c2)C[C@H](C)O1 ZINC001354797821 1067112492 /nfs/dbraw/zinc/11/24/92/1067112492.db2.gz OOIMBAOHNJWEIG-CALCHBBNSA-N 1 2 459.974 4.154 20 0 JIADLO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)c2cnc(OC3CCOCC3)c(Cl)c2)C[C@H](C)O1 ZINC001354797821 1067112508 /nfs/dbraw/zinc/11/25/08/1067112508.db2.gz OOIMBAOHNJWEIG-CALCHBBNSA-N 1 2 459.974 4.154 20 0 JIADLO CCC[C@H](NC(=O)NCc1ccc(F)cc1)C(=O)Nc1ccc2nc(C[NH+]3CCCCC3)[nH]c2c1 ZINC001321485903 1067144387 /nfs/dbraw/zinc/14/43/87/1067144387.db2.gz KXFJMDDCHUOLBA-QFIPXVFZSA-N 1 2 480.588 4.295 20 0 JIADLO O=C(Nc1ccc2nc(C[NH+]3CCCCC3)[nH]c2c1)c1cc2c(c(Br)c1)OCO2 ZINC001321489476 1067145557 /nfs/dbraw/zinc/14/55/57/1067145557.db2.gz YBABYQFSLYSPMV-UHFFFAOYSA-N 1 2 457.328 4.292 20 0 JIADLO CNC(=O)Cc1ccccc1NC(=O)NCc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC001321554792 1067165382 /nfs/dbraw/zinc/16/53/82/1067165382.db2.gz OWQIXBIVTJGWSB-UHFFFAOYSA-N 1 2 453.546 4.209 20 0 JIADLO O=C(Nc1ncc(C(O)(C(F)(F)F)C(F)(F)F)s1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001321959335 1067232791 /nfs/dbraw/zinc/23/27/91/1067232791.db2.gz CHAAEWXZPVAQCC-CYBMUJFWSA-N 1 2 467.435 4.306 20 0 JIADLO O=C(Nc1ncc(C(O)(C(F)(F)F)C(F)(F)F)s1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001321959335 1067232806 /nfs/dbraw/zinc/23/28/06/1067232806.db2.gz CHAAEWXZPVAQCC-CYBMUJFWSA-N 1 2 467.435 4.306 20 0 JIADLO CCCN(C(=O)Cn1c(C)[nH+]c2cc(F)c(F)cc21)C1CCN(C(=O)c2ccccc2)CC1 ZINC001352098262 1067286930 /nfs/dbraw/zinc/28/69/30/1067286930.db2.gz MOEHUPGJALAKMN-UHFFFAOYSA-N 1 2 454.521 4.166 20 0 JIADLO O=C(NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1)Nc1ccn(CCc2ccncc2)n1 ZINC001200861137 1067368608 /nfs/dbraw/zinc/36/86/08/1067368608.db2.gz AWSGRQXTIZQNFB-FQEVSTJZSA-N 1 2 456.953 4.272 20 0 JIADLO COc1ccc(-c2nnc(N3CC[C@@H](C(C)C)C3)n2CCCNc2cccc[nH+]2)c(OC)c1 ZINC001300033881 1067434733 /nfs/dbraw/zinc/43/47/33/1067434733.db2.gz NGSFIKAMGYLRLP-LJQANCHMSA-N 1 2 450.587 4.342 20 0 JIADLO COc1ccc(-c2nnc(N3CC[C@H](C)[C@H]3C)n2Cc2ccc(N(C)C)[nH+]c2)cc1Br ZINC001300035773 1067442897 /nfs/dbraw/zinc/44/28/97/1067442897.db2.gz DKKBRHVXPPCGCU-JKSUJKDBSA-N 1 2 485.430 4.460 20 0 JIADLO CC[NH+](CC)Cc1csc(NC(=O)c2cc(C)c(OCC(=O)N3CCCCC3)c(C)c2)n1 ZINC001300053314 1067525934 /nfs/dbraw/zinc/52/59/34/1067525934.db2.gz MMERRVQONXFCMQ-UHFFFAOYSA-N 1 2 458.628 4.245 20 0 JIADLO O=C(Nc1ccc(-c2cc[nH]n2)cc1)N(CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC001200086600 1067578736 /nfs/dbraw/zinc/57/87/36/1067578736.db2.gz DQCAMKATVQRYSQ-UHFFFAOYSA-N 1 2 455.316 4.363 20 0 JIADLO COC(=O)c1ccc(CC(=O)N2CC[NH+](Cc3ccc(-c4ccccc4F)s3)CC2)cc1 ZINC001355906488 1067605835 /nfs/dbraw/zinc/60/58/35/1067605835.db2.gz KTDAXYDVRFNIHE-UHFFFAOYSA-N 1 2 452.551 4.228 20 0 JIADLO COc1ccc(CCc2nnc(N3CCc4c(cc[nH+]c4N(C)C)C3)n2CCC(C)(F)F)cc1 ZINC001300119092 1067732704 /nfs/dbraw/zinc/73/27/04/1067732704.db2.gz CCWDDDBMPGXTTJ-UHFFFAOYSA-N 1 2 470.568 4.141 20 0 JIADLO CC(=O)N(c1nc(CN2CCC[N@H+](Cc3cc(C)on3)CC2)cs1)c1ccc(C)c(C)c1 ZINC001352825439 1067746029 /nfs/dbraw/zinc/74/60/29/1067746029.db2.gz LNRWRICOCKKOPN-UHFFFAOYSA-N 1 2 453.612 4.449 20 0 JIADLO CC(=O)N(c1nc(CN2CCC[N@@H+](Cc3cc(C)on3)CC2)cs1)c1ccc(C)c(C)c1 ZINC001352825439 1067746037 /nfs/dbraw/zinc/74/60/37/1067746037.db2.gz LNRWRICOCKKOPN-UHFFFAOYSA-N 1 2 453.612 4.449 20 0 JIADLO CC(C)(C(=O)N1CC[NH+](CCOC(c2ccccc2)c2ccccc2)CC1)C1CCOCC1 ZINC001357277941 1067829599 /nfs/dbraw/zinc/82/95/99/1067829599.db2.gz BJLHSKUWGDFAEV-UHFFFAOYSA-N 1 2 450.623 4.390 20 0 JIADLO Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)C2CCN(C(=O)/C=C/c3ccccc3)CC2)c(C)c1 ZINC001357329075 1067834783 /nfs/dbraw/zinc/83/47/83/1067834783.db2.gz AIWYTKQOOOEPPX-OXXZUKKGSA-N 1 2 456.590 4.309 20 0 JIADLO Cc1nc2ccc(Br)cn2c1C(=O)N[C@@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC001357329350 1067835147 /nfs/dbraw/zinc/83/51/47/1067835147.db2.gz CKQORTWRWMXGNG-IBGZPJMESA-N 1 2 452.356 4.390 20 0 JIADLO CC(C)c1nc(C(=O)Nc2ccccc2C[NH+]2C[C@H](C)O[C@@H](C)C2)nn1-c1cccc(F)c1 ZINC001357518710 1067863173 /nfs/dbraw/zinc/86/31/73/1067863173.db2.gz GUEJBWZABTXHEY-ROUUACIJSA-N 1 2 451.546 4.391 20 0 JIADLO Cc1ccc(I)cc1C(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1 ZINC001353105900 1067867374 /nfs/dbraw/zinc/86/73/74/1067867374.db2.gz JZQYZNRNDLOWTE-HNNXBMFYSA-N 1 2 450.320 4.245 20 0 JIADLO CCc1nc(C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)nn1-c1c(Cl)cccc1Cl ZINC001357545343 1067868034 /nfs/dbraw/zinc/86/80/34/1067868034.db2.gz ZRBVZSIGQPAYRG-UHFFFAOYSA-N 1 2 459.381 4.452 20 0 JIADLO COC(=O)[C@@H](c1ccc(Cl)c(Cl)c1)N(C)C(=O)Cn1c(C)[nH+]c2cc(F)c(F)cc21 ZINC001357978072 1067967741 /nfs/dbraw/zinc/96/77/41/1067967741.db2.gz NSZPBYFMWRMCRV-LJQANCHMSA-N 1 2 456.276 4.302 20 0 JIADLO COc1ccc(F)cc1C[NH+]1CCN(c2nnc(CC3CC3)n2CC(C)(C)C(F)(F)F)CC1 ZINC001300247503 1067979075 /nfs/dbraw/zinc/97/90/75/1067979075.db2.gz MDKBSAQVVVWHDA-UHFFFAOYSA-N 1 2 469.527 4.289 20 0 JIADLO COc1cc(Br)c(C[NH2+]Cc2cn3ccc(Br)cc3n2)cc1OC ZINC001200291408 1067984340 /nfs/dbraw/zinc/98/43/40/1067984340.db2.gz CEAYKSBKJKEBEY-UHFFFAOYSA-N 1 2 455.150 4.166 20 0 JIADLO CC1(C)C[N@H+](CCNC(=O)Nc2ccc(Oc3ccc(C(F)(F)F)cn3)c(F)c2)CCO1 ZINC001200330890 1068093931 /nfs/dbraw/zinc/09/39/31/1068093931.db2.gz VLPIZGWPGBYGID-UHFFFAOYSA-N 1 2 456.440 4.264 20 0 JIADLO CC1(C)C[N@@H+](CCNC(=O)Nc2ccc(Oc3ccc(C(F)(F)F)cn3)c(F)c2)CCO1 ZINC001200330890 1068093947 /nfs/dbraw/zinc/09/39/47/1068093947.db2.gz VLPIZGWPGBYGID-UHFFFAOYSA-N 1 2 456.440 4.264 20 0 JIADLO CSc1ccc([C@H](CNC(=O)Nc2nc3nc(C)cc(C)n3n2)[N@@H+]2CCc3sccc3C2)cc1 ZINC000508050612 1068128276 /nfs/dbraw/zinc/12/82/76/1068128276.db2.gz AEOKWRVUHOBYHD-FQEVSTJZSA-N 1 2 493.662 4.446 20 0 JIADLO CSc1ccc([C@H](CNC(=O)Nc2nc3nc(C)cc(C)n3n2)[N@H+]2CCc3sccc3C2)cc1 ZINC000508050612 1068128308 /nfs/dbraw/zinc/12/83/08/1068128308.db2.gz AEOKWRVUHOBYHD-FQEVSTJZSA-N 1 2 493.662 4.446 20 0 JIADLO Cc1cccc(NC(=O)c2ccccc2NC(=O)C[NH+]2CCC(Oc3ncccc3C)CC2)c1 ZINC001473431843 1068173476 /nfs/dbraw/zinc/17/34/76/1068173476.db2.gz MIOQPNWYPBDNPK-UHFFFAOYSA-N 1 2 458.562 4.433 20 0 JIADLO O=C(Nc1nnc(SCc2ccccc2)s1)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000515107213 1068260034 /nfs/dbraw/zinc/26/00/34/1068260034.db2.gz JISXVHLGIFYHDO-UHFFFAOYSA-N 1 2 455.609 4.059 20 0 JIADLO O=C(CCc1cn(Cc2ccc(Cl)cc2)c2ccccc12)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000521330282 1068332103 /nfs/dbraw/zinc/33/21/03/1068332103.db2.gz HCRJLKQFHCEZRG-UHFFFAOYSA-N 1 2 492.023 4.443 20 0 JIADLO C[C@H](NC(=O)c1ncoc1-c1cccc(C(F)(F)F)c1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001354157679 1068937557 /nfs/dbraw/zinc/93/75/57/1068937557.db2.gz VGQWSOOKCAEMKE-OXJNMPFZSA-N 1 2 459.468 4.380 20 0 JIADLO C[C@H](NC(=O)c1ncoc1-c1cccc(C(F)(F)F)c1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001354157679 1068937566 /nfs/dbraw/zinc/93/75/66/1068937566.db2.gz VGQWSOOKCAEMKE-OXJNMPFZSA-N 1 2 459.468 4.380 20 0 JIADLO Cc1nc(C[N@@H+]2CCO[C@@H]3CN(C(=S)Nc4ccc(F)c(Cl)c4)CC[C@@H]3C2)cs1 ZINC001200582279 1068948805 /nfs/dbraw/zinc/94/88/05/1068948805.db2.gz ISZYERDIJJHTAR-AUUYWEPGSA-N 1 2 455.024 4.164 20 0 JIADLO Cc1nc(C[N@H+]2CCO[C@@H]3CN(C(=S)Nc4ccc(F)c(Cl)c4)CC[C@@H]3C2)cs1 ZINC001200582279 1068948822 /nfs/dbraw/zinc/94/88/22/1068948822.db2.gz ISZYERDIJJHTAR-AUUYWEPGSA-N 1 2 455.024 4.164 20 0 JIADLO Cc1cc(Br)c(NC(=O)CO[NH+]=C(N)c2ccccc2C)c(Br)c1 ZINC000849213426 1068973867 /nfs/dbraw/zinc/97/38/67/1068973867.db2.gz HDBIFZDWUQOKBB-UHFFFAOYSA-N 1 2 455.150 4.314 20 0 JIADLO COc1cccc(Cc2nnc(NC(=O)N3CC[NH+]([C@@H](C)c4cccc(OC)c4)CC3)s2)c1 ZINC000504171678 1069096233 /nfs/dbraw/zinc/09/62/33/1069096233.db2.gz MEOCGYSKUKIGGZ-KRWDZBQOSA-N 1 2 467.595 4.057 20 0 JIADLO CN(C)c1ccc([NH+]2CCC(NC(=O)c3nc4ccccc4cc3Br)CC2)cc1 ZINC001354415556 1069201107 /nfs/dbraw/zinc/20/11/07/1069201107.db2.gz UKTCPZGKHXIYQP-UHFFFAOYSA-N 1 2 453.384 4.462 20 0 JIADLO C[C@H]1C[N@H+](CCNC(=O)c2ccc(NC(=O)c3cc(Cl)cc(Cl)c3)cc2)[C@@H](C)CO1 ZINC001300610850 1069216640 /nfs/dbraw/zinc/21/66/40/1069216640.db2.gz JJPNPAGRXHABBA-GJZGRUSLSA-N 1 2 450.366 4.085 20 0 JIADLO C[C@H]1C[N@@H+](CCNC(=O)c2ccc(NC(=O)c3cc(Cl)cc(Cl)c3)cc2)[C@@H](C)CO1 ZINC001300610850 1069216645 /nfs/dbraw/zinc/21/66/45/1069216645.db2.gz JJPNPAGRXHABBA-GJZGRUSLSA-N 1 2 450.366 4.085 20 0 JIADLO COc1ccccc1O[C@H](C)Cn1c(N2CCc3c(cc[nH+]c3N(C)C)C2)nnc1C(C)(C)C ZINC001300619609 1069238899 /nfs/dbraw/zinc/23/88/99/1069238899.db2.gz BSCKXZFZKULHCQ-GOSISDBHSA-N 1 2 464.614 4.075 20 0 JIADLO COc1ccccc1NS(=O)(=O)c1cccc(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)c1 ZINC000012526457 562960547 /nfs/dbraw/zinc/96/05/47/562960547.db2.gz UZKWEZDKXJDVTK-QFIPXVFZSA-N 1 2 483.590 4.046 20 0 JIADLO CCOC(=O)c1sc2nc(C[NH+]3CCCCC3)nc(N3CC[C@@H]4CCCO[C@@H]4C3)c2c1C ZINC001164421514 718902950 /nfs/dbraw/zinc/90/29/50/718902950.db2.gz STSYYBJZSDTRJM-ZWKOTPCHSA-N 1 2 458.628 4.168 20 0 JIADLO c1sc([C@H]2C[C@H]3CN(c4ncnc5c4C[N@H+](Cc4ccccc4)CC5)C[C@H]3O2)nc1C1CC1 ZINC001164647266 719287985 /nfs/dbraw/zinc/28/79/85/719287985.db2.gz RHFWCYRWKVTIEO-WUMKDDEVSA-N 1 2 459.619 4.335 20 0 JIADLO c1sc([C@H]2C[C@H]3CN(c4ncnc5c4C[N@@H+](Cc4ccccc4)CC5)C[C@H]3O2)nc1C1CC1 ZINC001164647266 719287989 /nfs/dbraw/zinc/28/79/89/719287989.db2.gz RHFWCYRWKVTIEO-WUMKDDEVSA-N 1 2 459.619 4.335 20 0 JIADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nc(Cl)ccc1C(=O)OC)CC2 ZINC001164662956 719345601 /nfs/dbraw/zinc/34/56/01/719345601.db2.gz BJHIFCOULQRGNW-UHFFFAOYSA-N 1 2 465.985 4.216 20 0 JIADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nc(Cl)ccc1C(=O)OC)CC2 ZINC001164662956 719345603 /nfs/dbraw/zinc/34/56/03/719345603.db2.gz BJHIFCOULQRGNW-UHFFFAOYSA-N 1 2 465.985 4.216 20 0 JIADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ncc3cc(C(=O)OC)ccc3n1)CC2 ZINC001164663761 719346700 /nfs/dbraw/zinc/34/67/00/719346700.db2.gz LKYAALWZXAFRQN-UHFFFAOYSA-N 1 2 482.588 4.111 20 0 JIADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ncc3cc(C(=O)OC)ccc3n1)CC2 ZINC001164663761 719346701 /nfs/dbraw/zinc/34/67/01/719346701.db2.gz LKYAALWZXAFRQN-UHFFFAOYSA-N 1 2 482.588 4.111 20 0 JIADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1cc(Cl)cc(C(=O)OC)n1)CC2 ZINC001164663830 719347705 /nfs/dbraw/zinc/34/77/05/719347705.db2.gz NEAFFTFREVOQGH-UHFFFAOYSA-N 1 2 465.985 4.216 20 0 JIADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1cc(Cl)cc(C(=O)OC)n1)CC2 ZINC001164663830 719347708 /nfs/dbraw/zinc/34/77/08/719347708.db2.gz NEAFFTFREVOQGH-UHFFFAOYSA-N 1 2 465.985 4.216 20 0 JIADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ncnc3cc(OC)cc(OC)c31)CC2 ZINC001164660726 719350838 /nfs/dbraw/zinc/35/08/38/719350838.db2.gz XUQDFISHNBZZMF-UHFFFAOYSA-N 1 2 484.604 4.342 20 0 JIADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ncnc3cc(OC)cc(OC)c31)CC2 ZINC001164660726 719350842 /nfs/dbraw/zinc/35/08/42/719350842.db2.gz XUQDFISHNBZZMF-UHFFFAOYSA-N 1 2 484.604 4.342 20 0 JIADLO CCOC(=O)/C=C/c1ccc(N2CCC3(CC2)c2ncc(-c4ccccc4)n2CC[N@H+]3CC)nc1 ZINC001164658924 719351686 /nfs/dbraw/zinc/35/16/86/719351686.db2.gz MBMVBILPUBMLHL-ACCUITESSA-N 1 2 471.605 4.353 20 0 JIADLO CCOC(=O)/C=C/c1ccc(N2CCC3(CC2)c2ncc(-c4ccccc4)n2CC[N@@H+]3CC)nc1 ZINC001164658924 719351690 /nfs/dbraw/zinc/35/16/90/719351690.db2.gz MBMVBILPUBMLHL-ACCUITESSA-N 1 2 471.605 4.353 20 0 JIADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1cc(C(=O)NC(C)(C)C)ccn1)CC2 ZINC001164658028 719352340 /nfs/dbraw/zinc/35/23/40/719352340.db2.gz BHZNXQFKZAVPIX-UHFFFAOYSA-N 1 2 472.637 4.305 20 0 JIADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1cc(C(=O)NC(C)(C)C)ccn1)CC2 ZINC001164658028 719352344 /nfs/dbraw/zinc/35/23/44/719352344.db2.gz BHZNXQFKZAVPIX-UHFFFAOYSA-N 1 2 472.637 4.305 20 0 JIADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nc(/C=C\C(=O)OC)cc3cc[nH]c31)CC2 ZINC001164659597 719352684 /nfs/dbraw/zinc/35/26/84/719352684.db2.gz RFMRYVSBXOJUJO-KTKRTIGZSA-N 1 2 496.615 4.444 20 0 JIADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nc(/C=C\C(=O)OC)cc3cc[nH]c31)CC2 ZINC001164659597 719352687 /nfs/dbraw/zinc/35/26/87/719352687.db2.gz RFMRYVSBXOJUJO-KTKRTIGZSA-N 1 2 496.615 4.444 20 0 JIADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ncnc(Cl)c1[C@@H](C)C(=O)OC)CC2 ZINC001164664638 719356245 /nfs/dbraw/zinc/35/62/45/719356245.db2.gz QBMBOBPQEXFHPP-GOSISDBHSA-N 1 2 495.027 4.101 20 0 JIADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ncnc(Cl)c1[C@@H](C)C(=O)OC)CC2 ZINC001164664638 719356247 /nfs/dbraw/zinc/35/62/47/719356247.db2.gz QBMBOBPQEXFHPP-GOSISDBHSA-N 1 2 495.027 4.101 20 0 JIADLO Fc1ccc(C[N@@H+]2CCOCC23CCN(c2ccc(-c4c(F)cccc4F)nn2)CC3)cc1 ZINC001164677338 719526573 /nfs/dbraw/zinc/52/65/73/719526573.db2.gz CTGYKGGDJPVZQI-UHFFFAOYSA-N 1 2 454.496 4.432 20 0 JIADLO Fc1ccc(C[N@H+]2CCOCC23CCN(c2ccc(-c4c(F)cccc4F)nn2)CC3)cc1 ZINC001164677338 719526581 /nfs/dbraw/zinc/52/65/81/719526581.db2.gz CTGYKGGDJPVZQI-UHFFFAOYSA-N 1 2 454.496 4.432 20 0 JIADLO CC(C)c1noc(-c2ccnc(N3CCC4(CC3)COCC[N@@H+]4Cc3ccc(F)cc3)c2)n1 ZINC001164678080 719527261 /nfs/dbraw/zinc/52/72/61/719527261.db2.gz IRCRXEBIPMONRI-UHFFFAOYSA-N 1 2 451.546 4.266 20 0 JIADLO CC(C)c1noc(-c2ccnc(N3CCC4(CC3)COCC[N@H+]4Cc3ccc(F)cc3)c2)n1 ZINC001164678080 719527265 /nfs/dbraw/zinc/52/72/65/719527265.db2.gz IRCRXEBIPMONRI-UHFFFAOYSA-N 1 2 451.546 4.266 20 0 JIADLO Fc1ccccc1-c1cc(C(F)(F)N2CCc3onc(Cn4cc[nH+]c4)c3C2)c(Cl)nn1 ZINC001164676345 719567469 /nfs/dbraw/zinc/56/74/69/719567469.db2.gz BTTWPGYCTUINTR-UHFFFAOYSA-N 1 2 460.847 4.277 20 0 JIADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1C(F)(F)c1ccc(-c2ccnc(Cl)c2)cc1 ZINC001164697329 719846723 /nfs/dbraw/zinc/84/67/23/719846723.db2.gz CQLFBHSZJCYDJX-OFNKIYASSA-N 1 2 479.955 4.180 20 0 JIADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ccc(-c2ccc(Oc3ccccc3)cc2)nn1 ZINC001164702985 719874884 /nfs/dbraw/zinc/87/48/84/719874884.db2.gz JKNPUUYUXPNLCB-SKCUWOTOSA-N 1 2 488.588 4.169 20 0 JIADLO CC(=O)NC[C@H]1c2[nH+]cn(C(C)C)c2CCN1C(F)(F)c1ccc2nc(Cl)nc(Cl)c2c1 ZINC001164722372 720312310 /nfs/dbraw/zinc/31/23/10/720312310.db2.gz KRVCRPWHPSJFAW-KRWDZBQOSA-N 1 2 483.350 4.499 20 0 JIADLO CC(=O)NC[C@@H]1c2[nH+]cn(C(C)C)c2CCN1C(F)(F)c1ccc2nc(Cl)c(Cl)nc2c1 ZINC001164723759 720314252 /nfs/dbraw/zinc/31/42/52/720314252.db2.gz OYDMCCWPKCDPDD-QGZVFWFLSA-N 1 2 483.350 4.499 20 0 JIADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1cc(-c3ccccc3)c3ccccc3n1)C2 ZINC001164828697 720470160 /nfs/dbraw/zinc/47/01/60/720470160.db2.gz AAMOSLOBPOVLBX-HSZRJFAPSA-N 1 2 483.616 4.088 20 0 JIADLO c1ccc(C[N@@H+]2CCc3ncnc(N4CCc5c(COCc6ccccn6)cncc5C4)c3C2)cc1 ZINC001164763645 721269554 /nfs/dbraw/zinc/26/95/54/721269554.db2.gz DKSBXLLODLTIKD-UHFFFAOYSA-N 1 2 478.600 4.104 20 0 JIADLO c1ccc(C[N@H+]2CCc3ncnc(N4CCc5c(COCc6ccccn6)cncc5C4)c3C2)cc1 ZINC001164763645 721269561 /nfs/dbraw/zinc/26/95/61/721269561.db2.gz DKSBXLLODLTIKD-UHFFFAOYSA-N 1 2 478.600 4.104 20 0 JIADLO FC(F)(Oc1cc(Cl)nc(Cl)c1)N1Cc2c[nH+]cn2C[C@@H](COc2cccnc2)C1 ZINC001164770007 721276267 /nfs/dbraw/zinc/27/62/67/721276267.db2.gz ROGBJXSLBXSQFA-CYBMUJFWSA-N 1 2 456.280 4.120 20 0 JIADLO FC(F)(Oc1cccc(COc2cncc(Cl)n2)c1)N1C[C@H]2C[NH+](Cc3nccs3)C[C@@H]2C1 ZINC001164784747 721436191 /nfs/dbraw/zinc/43/61/91/721436191.db2.gz MAAOMBCPOXKOSL-IAGOWNOFSA-N 1 2 493.967 4.158 20 0 JIADLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(C(F)(F)c1cc(Cl)nc(-c3ccccc3)n1)C2 ZINC001165008624 721708996 /nfs/dbraw/zinc/70/89/96/721708996.db2.gz JAUSRIIMQXVNKK-UHFFFAOYSA-N 1 2 461.948 4.184 20 0 JIADLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(C(F)(F)c1cc(Cl)nc(-c3ccccc3)n1)C2 ZINC001165008624 721709003 /nfs/dbraw/zinc/70/90/03/721709003.db2.gz JAUSRIIMQXVNKK-UHFFFAOYSA-N 1 2 461.948 4.184 20 0 JIADLO CSCc1nc2sc3c(c2c(N2CCCn4c(C[N@H+](C)C(C)C)nnc4C2)n1)CCCC3 ZINC001165009680 721714167 /nfs/dbraw/zinc/71/41/67/721714167.db2.gz VGFDTQNHQNWWFF-UHFFFAOYSA-N 1 2 471.700 4.275 20 0 JIADLO CSCc1nc2sc3c(c2c(N2CCCn4c(C[N@@H+](C)C(C)C)nnc4C2)n1)CCCC3 ZINC001165009680 721714172 /nfs/dbraw/zinc/71/41/72/721714172.db2.gz VGFDTQNHQNWWFF-UHFFFAOYSA-N 1 2 471.700 4.275 20 0 JIADLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(c1nc(-c3ccc(Cl)s3)nc3c1CCC3)C2 ZINC001165010022 721718584 /nfs/dbraw/zinc/71/85/84/721718584.db2.gz DVZNNIXSXMXUTG-UHFFFAOYSA-N 1 2 458.035 4.189 20 0 JIADLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(c1nc(-c3ccc(Cl)s3)nc3c1CCC3)C2 ZINC001165010022 721718586 /nfs/dbraw/zinc/71/85/86/721718586.db2.gz DVZNNIXSXMXUTG-UHFFFAOYSA-N 1 2 458.035 4.189 20 0 JIADLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(C(F)(F)c1cnc(Cl)c(-c3ccco3)c1)C2 ZINC001165011701 721722331 /nfs/dbraw/zinc/72/23/31/721722331.db2.gz SFENYFOGALZMOS-UHFFFAOYSA-N 1 2 450.921 4.382 20 0 JIADLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(C(F)(F)c1cnc(Cl)c(-c3ccco3)c1)C2 ZINC001165011701 721722337 /nfs/dbraw/zinc/72/23/37/721722337.db2.gz SFENYFOGALZMOS-UHFFFAOYSA-N 1 2 450.921 4.382 20 0 JIADLO Clc1cc2nc(Cl)c(N3CCO[C@]4(C3)COCC[N@H+](Cc3cccnc3)C4)nc2cc1Cl ZINC001164912874 721775899 /nfs/dbraw/zinc/77/58/99/721775899.db2.gz RDQPQWQSJGQRJY-JOCHJYFZSA-N 1 2 494.810 4.093 20 0 JIADLO Clc1cc2nc(Cl)c(N3CCO[C@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)nc2cc1Cl ZINC001164912874 721775900 /nfs/dbraw/zinc/77/59/00/721775900.db2.gz RDQPQWQSJGQRJY-JOCHJYFZSA-N 1 2 494.810 4.093 20 0 JIADLO COc1ccc(-c2csc3ncnc(N4CCC5(CC4)c4[nH+]cc(C)n4CCN5C)c23)cc1 ZINC001164917139 721818832 /nfs/dbraw/zinc/81/88/32/721818832.db2.gz CALSHJZFDPCAHD-UHFFFAOYSA-N 1 2 460.607 4.313 20 0 JIADLO Cc1cccc(COC[C@@]23CCCO[C@H]2CCN(c2ncnc4c2C[N@H+](Cc2ccccc2)CC4)C3)n1 ZINC001164958013 722026010 /nfs/dbraw/zinc/02/60/10/722026010.db2.gz DKQNHROJCQAZJV-JDXGNMNLSA-N 1 2 499.659 4.331 20 0 JIADLO Cc1cccc(COC[C@@]23CCCO[C@H]2CCN(c2ncnc4c2C[N@@H+](Cc2ccccc2)CC4)C3)n1 ZINC001164958013 722026013 /nfs/dbraw/zinc/02/60/13/722026013.db2.gz DKQNHROJCQAZJV-JDXGNMNLSA-N 1 2 499.659 4.331 20 0 JIADLO Cc1cccc(COC[C@]23CCCO[C@H]2CCN(c2ncnc4c2C[N@H+](Cc2ccccc2)CC4)C3)n1 ZINC001164958026 722026029 /nfs/dbraw/zinc/02/60/29/722026029.db2.gz DKQNHROJCQAZJV-MFMCTBQISA-N 1 2 499.659 4.331 20 0 JIADLO Cc1cccc(COC[C@]23CCCO[C@H]2CCN(c2ncnc4c2C[N@@H+](Cc2ccccc2)CC4)C3)n1 ZINC001164958026 722026031 /nfs/dbraw/zinc/02/60/31/722026031.db2.gz DKQNHROJCQAZJV-MFMCTBQISA-N 1 2 499.659 4.331 20 0 JIADLO COc1ccccc1OCc1nnc(N2CCN(c3cccc[nH+]3)CC2)n1C[C@@H](SC)C(C)(C)C ZINC001300651587 1069336454 /nfs/dbraw/zinc/33/64/54/1069336454.db2.gz FWBYMSRHMSTLSD-JOCHJYFZSA-N 1 2 496.681 4.365 20 0 JIADLO CC(C)c1nc2cc(NC(=O)N3CC[NH+]([C@H]4CCN(C(=O)OC(C)(C)C)C4)CC3)ccc2o1 ZINC001200712349 1069358396 /nfs/dbraw/zinc/35/83/96/1069358396.db2.gz HSEBXYJKKLLELH-SFHVURJKSA-N 1 2 457.575 4.110 20 0 JIADLO CC(=O)N1CCCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2CCCNc2cccc[nH+]2)CC1 ZINC001359374338 1069479272 /nfs/dbraw/zinc/47/92/72/1069479272.db2.gz ZJIUKTMOGIOMAK-IBGZPJMESA-N 1 2 498.031 4.027 20 0 JIADLO CC(=O)N1CC[NH+](CCn2c([C@H](C)Oc3cccc(Cl)c3)nnc2N2CCCCCCC2)CC1 ZINC001359400560 1069505864 /nfs/dbraw/zinc/50/58/64/1069505864.db2.gz OZEYZJOVMQQZRT-FQEVSTJZSA-N 1 2 489.064 4.006 20 0 JIADLO CC(C)(C)C(=O)NC[C@H]1CCCN(c2nnc(C(C)(C)C)n2Cc2cccc(Cn3cc[nH+]c3)c2)C1 ZINC001359490673 1069696398 /nfs/dbraw/zinc/69/63/98/1069696398.db2.gz YUXVPBJZDBRGMJ-HSZRJFAPSA-N 1 2 491.684 4.247 20 0 JIADLO CC(C)(C)Cc1nnc(N2CCC(CC(F)(F)F)CC2)n1Cc1ccc(N2CCOCC2)[nH+]c1 ZINC001359528971 1069818709 /nfs/dbraw/zinc/81/87/09/1069818709.db2.gz DDZWTIRKCZRLQL-UHFFFAOYSA-N 1 2 480.579 4.315 20 0 JIADLO CC(C)(C)Cc1nnc(N2CCC[C@@H](C(F)F)C2)n1C[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001359534081 1069826899 /nfs/dbraw/zinc/82/68/99/1069826899.db2.gz OFTKHTFBCDDUIU-NHCUHLMSSA-N 1 2 461.601 4.249 20 0 JIADLO CC(C)(C)Cc1nnc(N2CCC[C@@H](C(F)F)C2)n1C[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001359534081 1069826900 /nfs/dbraw/zinc/82/69/00/1069826900.db2.gz OFTKHTFBCDDUIU-NHCUHLMSSA-N 1 2 461.601 4.249 20 0 JIADLO CC(C)C(=O)NC[C@H]1CCCN(c2nnc(C(C)(C)C)n2Cc2ccc(N3CCCCCC3)[nH+]c2)C1 ZINC001359626698 1070122540 /nfs/dbraw/zinc/12/25/40/1070122540.db2.gz SPNURAQNOSYXOJ-JOCHJYFZSA-N 1 2 495.716 4.388 20 0 JIADLO CC(C)c1nnc(N(C)Cc2cnc(C(C)C)nc2)n1C[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC001359673006 1070321078 /nfs/dbraw/zinc/32/10/78/1070321078.db2.gz MEXKJKATODIKJO-QHCPKHFHSA-N 1 2 463.630 4.025 20 0 JIADLO CC(C)c1nnc(N(C)C[C@@H](c2cccs2)[NH+]2CCOCC2)n1CCc1ccc(F)cc1 ZINC001359679626 1070334946 /nfs/dbraw/zinc/33/49/46/1070334946.db2.gz OILGKVNQVQHFAI-NRFANRHFSA-N 1 2 457.619 4.355 20 0 JIADLO CC(C)c1nnc(N(C)C[C@@H](c2cccs2)[NH+]2CCOCC2)n1C[C@@](C)(O)c1ccc(F)cc1 ZINC001359679645 1070334985 /nfs/dbraw/zinc/33/49/85/1070334985.db2.gz OROZYQPVFGTDNG-SQJMNOBHSA-N 1 2 487.645 4.020 20 0 JIADLO COc1ccc(C[NH+]2CCN(c3nnc(C4CCC4)n3CC(F)(F)Br)CC2)cc1F ZINC001315504815 1064416500 /nfs/dbraw/zinc/41/65/00/1064416500.db2.gz JKSIHRCEHHJTOQ-UHFFFAOYSA-N 1 2 488.352 4.003 20 0 JIADLO COc1ccc(F)cc1C[NH+]1CCN(c2nnc(CC(C)C)n2Cc2sccc2C)CC1 ZINC001315515004 1064460711 /nfs/dbraw/zinc/46/07/11/1064460711.db2.gz BKRZLXTTXXNFAF-UHFFFAOYSA-N 1 2 457.619 4.365 20 0 JIADLO COc1ccc(F)cc1C[NH+]1CCN(c2nnc(CC(C)(C)C)n2CCCc2nccs2)CC1 ZINC001315515282 1064461259 /nfs/dbraw/zinc/46/12/59/1064461259.db2.gz KGPVQHVKVNWXJG-UHFFFAOYSA-N 1 2 486.661 4.426 20 0 JIADLO COc1cccc(Cl)c1Cn1c(N2CC[NH+](Cc3cnc(C)s3)CC2)nnc1C(C)(C)C ZINC001315583394 1064654732 /nfs/dbraw/zinc/65/47/32/1064654732.db2.gz JQAUEMAMPPVGCI-UHFFFAOYSA-N 1 2 475.062 4.373 20 0 JIADLO COc1ccccc1Cc1nnc(N2CCS[C@H](C(C)C)C2)n1CCCNc1cccc[nH+]1 ZINC001315631053 1064781826 /nfs/dbraw/zinc/78/18/26/1064781826.db2.gz JGCYRBDLXOFRRM-QFIPXVFZSA-N 1 2 466.655 4.353 20 0 JIADLO COc1ccccc1SCc1nnc(N2CCc3c(cc[nH+]c3N(C)C)C2)n1C[C@@](C)(O)C(C)C ZINC001315666607 1064883307 /nfs/dbraw/zinc/88/33/07/1064883307.db2.gz CNNFGRRQZJILTI-AREMUKBSSA-N 1 2 496.681 4.010 20 0 JIADLO COc1cc[nH+]cc1Cn1c(-c2ccc(Cl)cc2)nnc1N(C)Cc1c(C)nn(C)c1C ZINC001315669611 1064897495 /nfs/dbraw/zinc/89/74/95/1064897495.db2.gz NXUWVDDDTIVFPH-UHFFFAOYSA-N 1 2 451.962 4.037 20 0 JIADLO COc1cc[nH+]cc1Cn1c(-c2ccc(C)c(Br)c2)nnc1N(C)C[C@H]1CCCO1 ZINC001315670284 1064899006 /nfs/dbraw/zinc/89/90/06/1064899006.db2.gz WJFDEWIEXXZVOI-GOSISDBHSA-N 1 2 472.387 4.083 20 0 JIADLO COc1cc[nH+]cc1Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC[C@H](C)C1 ZINC001315672977 1064903988 /nfs/dbraw/zinc/90/39/88/1064903988.db2.gz VXBYTFATVVHLMP-OALUTQOASA-N 1 2 470.618 4.081 20 0 JIADLO CO[C@H]1CN(c2nnc(-c3cc(Br)cn3C)n2CCCc2cccc(C)[nH+]2)CC[C@@H]1C ZINC001315711347 1064988914 /nfs/dbraw/zinc/98/89/14/1064988914.db2.gz CASSYQFRYKLMBV-KKSFZXQISA-N 1 2 487.446 4.244 20 0 JIADLO COCC1(C)CCN(c2nnc(CC(C)C)n2C[C@@H](c2cccc(C)c2)[NH+]2CCOCC2)CC1 ZINC001315832071 1065197351 /nfs/dbraw/zinc/19/73/51/1065197351.db2.gz CBEFEBXDRCVQLA-DEOSSOPVSA-N 1 2 469.674 4.111 20 0 JIADLO COCC[C@H]1CCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2CC(C)(C)[NH+]2CCOCC2)C1 ZINC001315991983 1065565829 /nfs/dbraw/zinc/56/58/29/1065565829.db2.gz MLJCWXHZZHEMKY-DHIUTWEWSA-N 1 2 485.673 4.009 20 0 JIADLO COCCN(C)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@@H]1CCCn2cc(C)[nH+]c21 ZINC001316059008 1065697434 /nfs/dbraw/zinc/69/74/34/1065697434.db2.gz WUJNYRLIJNURNB-SFHVURJKSA-N 1 2 473.419 4.181 20 0 JIADLO COCCN(c1nnc(-c2cccc(OC)c2)n1Cc1ccc(N(C)C)[nH+]c1)[C@H]1CC[C@@H](C)C1 ZINC001316080023 1065724967 /nfs/dbraw/zinc/72/49/67/1065724967.db2.gz NKEHRVOUOHQJKN-KNQAVFIVSA-N 1 2 464.614 4.104 20 0 JIADLO COCCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1c[nH+]ccc1OC)[C@@H]1CC[C@@H](C)C1 ZINC001316080111 1065725627 /nfs/dbraw/zinc/72/56/27/1065725627.db2.gz AVDWAJMBMWWFMP-KTDPBYDISA-N 1 2 471.646 4.290 20 0 JIADLO COCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC001316105610 1065772895 /nfs/dbraw/zinc/77/28/95/1065772895.db2.gz HGUIWVJHDRXWDB-QFIPXVFZSA-N 1 2 493.656 4.230 20 0 JIADLO COCCO[C@@H](C)c1nnc(N2C[C@H](C)C[C@H](C)C2)n1Cc1ccc(N2CCCCCC2)[nH+]c1 ZINC001316160188 1065826393 /nfs/dbraw/zinc/82/63/93/1065826393.db2.gz HEHZTRGEIIXRQZ-BDTNDASRSA-N 1 2 470.662 4.308 20 0 JIADLO COCCO[C@H](C)c1nnc(N2CC[NH+](Cc3cccc(Cl)c3)CC2)n1CC1=CCCCC1 ZINC001316215601 1065926205 /nfs/dbraw/zinc/92/62/05/1065926205.db2.gz QIAJHAWNLKGTNC-HXUWFJFHSA-N 1 2 474.049 4.478 20 0 JIADLO CON(C)c1nnc(-c2ccc(Br)s2)n1Cc1ccc(N2CCCCC2)[nH+]c1 ZINC001316304707 1066065708 /nfs/dbraw/zinc/06/57/08/1066065708.db2.gz OFDSLTVZEQBGHN-UHFFFAOYSA-N 1 2 463.405 4.200 20 0 JIADLO CS[C@H](C)Cn1c(COc2ccc(Cl)cc2)nnc1N1CC[NH+](Cc2cnc(C)s2)CC1 ZINC001316386773 1066157895 /nfs/dbraw/zinc/15/78/95/1066157895.db2.gz IJNDCQFWPIYVJB-MRXNPFEDSA-N 1 2 493.102 4.349 20 0 JIADLO CSc1cc(C)ccc1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)CC[NH+]1CCOCC1 ZINC001316414636 1066208709 /nfs/dbraw/zinc/20/87/09/1066208709.db2.gz QTXMZBREZHRZPZ-FYYLOGMGSA-N 1 2 487.714 4.044 20 0 JIADLO COc1ccccc1C(=O)N[C@@H](CCSC)C(=O)Nc1ccc2nc(C[NH+]3CCCCC3)[nH]c2c1 ZINC001325991475 1066279113 /nfs/dbraw/zinc/27/91/13/1066279113.db2.gz LCYZMXYCJRDDFS-NRFANRHFSA-N 1 2 495.649 4.048 20 0 JIADLO O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)c1cc(-c2ccc(Cl)cc2)nc2ccccc21 ZINC001326327669 1066292341 /nfs/dbraw/zinc/29/23/41/1066292341.db2.gz GWTRUPPERRSJJW-UHFFFAOYSA-N 1 2 461.953 4.336 20 0 JIADLO CC[NH+](CC)Cc1csc(NC(=O)c2cccc(S(=O)(=O)N3c4ccccc4C[C@H]3C)c2)n1 ZINC001332164075 1066372564 /nfs/dbraw/zinc/37/25/64/1066372564.db2.gz GBHZERDPYRKYNC-QGZVFWFLSA-N 1 2 484.647 4.377 20 0 JIADLO CC(C)(C)OC(=O)N[C@@H](c1noc([C@H]2C[N@H+](Cc3ccccc3)CCO2)n1)c1ccccc1 ZINC001332503141 1066377488 /nfs/dbraw/zinc/37/74/88/1066377488.db2.gz ZRNKNLRFQWTVKS-NHCUHLMSSA-N 1 2 450.539 4.257 20 0 JIADLO CC(C)(C)OC(=O)N[C@@H](c1noc([C@H]2C[N@@H+](Cc3ccccc3)CCO2)n1)c1ccccc1 ZINC001332503141 1066377509 /nfs/dbraw/zinc/37/75/09/1066377509.db2.gz ZRNKNLRFQWTVKS-NHCUHLMSSA-N 1 2 450.539 4.257 20 0 JIADLO Cc1cccc(CCCn2c(-c3cc(F)ccc3Br)nnc2N2CCOC[C@@H]2C)[nH+]1 ZINC001492525539 1066406049 /nfs/dbraw/zinc/40/60/49/1066406049.db2.gz SSYXPGQCFWHZDS-INIZCTEOSA-N 1 2 474.378 4.408 20 0 JIADLO Cc1cc(-c2nnc(N(C)CC(=O)NC(C)(C)C)n2CCCc2cccc(C)[nH+]2)c2ccccc2n1 ZINC001492525717 1066407021 /nfs/dbraw/zinc/40/70/21/1066407021.db2.gz WVWDHPYXRPMCAF-UHFFFAOYSA-N 1 2 485.636 4.489 20 0 JIADLO Cc1cccc(CCCn2c(-c3ccc(Cl)cc3)nnc2N(C)[C@@H](C)[C@H](C)S(C)(=O)=O)[nH+]1 ZINC001492525680 1066407147 /nfs/dbraw/zinc/40/71/47/1066407147.db2.gz VNJAZXHSZGYPNQ-ROUUACIJSA-N 1 2 476.046 4.193 20 0 JIADLO Cc1cccc(CCCn2c(C(=O)Nc3ccc(C)c(C)c3)nnc2N(C)C[C@H]2CCCO2)[nH+]1 ZINC001492525878 1066409254 /nfs/dbraw/zinc/40/92/54/1066409254.db2.gz ZAGCDGYXKWFFGB-HSZRJFAPSA-N 1 2 462.598 4.099 20 0 JIADLO Cc1cccc(CCCn2c(-c3ccccc3)nnc2N2CCN([C@H](C)C(F)(F)F)CC2)[nH+]1 ZINC001492525953 1066410589 /nfs/dbraw/zinc/41/05/89/1066410589.db2.gz JLRZBKXIGAOSRJ-LJQANCHMSA-N 1 2 458.532 4.354 20 0 JIADLO Cc1cccc(CCCn2c(-c3ccccc3Br)nnc2N(C)[C@H]2CCOC2)[nH+]1 ZINC001492526191 1066413602 /nfs/dbraw/zinc/41/36/02/1066413602.db2.gz PNVBSBGDWCFMDV-SFHVURJKSA-N 1 2 456.388 4.269 20 0 JIADLO Cc1cccc(CCCn2c(-c3ccc(OCCC(C)C)cc3)nnc2N2CC(=O)N(C)[C@H](C)C2)[nH+]1 ZINC001492526308 1066415117 /nfs/dbraw/zinc/41/51/17/1066415117.db2.gz ULGUXTISTOINGI-JOCHJYFZSA-N 1 2 490.652 4.373 20 0 JIADLO Cc1cccc(CCCn2c(COc3ccc(Cl)cc3)nnc2N2C[C@@H](C)O[C@H](C)C2)[nH+]1 ZINC001492526866 1066417516 /nfs/dbraw/zinc/41/75/16/1066417516.db2.gz NWYJAVOIMJNORE-RTBURBONSA-N 1 2 455.990 4.460 20 0 JIADLO Cc1nc(Cc2nnc(N3CCN(CC(F)(F)F)[C@@H](C)C3)n2CCCc2cccc(C)[nH+]2)cs1 ZINC001492527033 1066419029 /nfs/dbraw/zinc/41/90/29/1066419029.db2.gz TXKCAZXOIVLEMU-KRWDZBQOSA-N 1 2 493.603 4.043 20 0 JIADLO Cc1cccc(CCCn2c(COc3ccc(F)cc3)nnc2N2CCOC(C)(C)[C@H]2C)[nH+]1 ZINC001492527665 1066423856 /nfs/dbraw/zinc/42/38/56/1066423856.db2.gz OSLAZSCHUIFQKN-LJQANCHMSA-N 1 2 453.562 4.336 20 0 JIADLO CCCCCn1c2nn(C[N@@H+]3CCCN4c5ccccc5C[C@H]4C3)c(=S)n2c2ccccc2c1=O ZINC001335872805 1066424626 /nfs/dbraw/zinc/42/46/26/1066424626.db2.gz BERCTKGZCIHIJQ-NRFANRHFSA-N 1 2 488.661 4.465 20 0 JIADLO CCCCCn1c2nn(C[N@H+]3CCCN4c5ccccc5C[C@H]4C3)c(=S)n2c2ccccc2c1=O ZINC001335872805 1066424637 /nfs/dbraw/zinc/42/46/37/1066424637.db2.gz BERCTKGZCIHIJQ-NRFANRHFSA-N 1 2 488.661 4.465 20 0 JIADLO Cc1cccc(CCCn2c(COc3ccc(F)cc3)nnc2N2C[C@H](C)OC(C)(C)C2)[nH+]1 ZINC001492527494 1066424803 /nfs/dbraw/zinc/42/48/03/1066424803.db2.gz JRCLPGFYZVGOQF-IBGZPJMESA-N 1 2 453.562 4.336 20 0 JIADLO Fc1ccc(-c2nn(C[N@@H+]3CC[C@H]4CCCC[C@@H]4C3)c(=S)n2CCN2CCOCC2)cc1 ZINC001337047589 1066456528 /nfs/dbraw/zinc/45/65/28/1066456528.db2.gz WLLNKBBVXXSDPU-TZIWHRDSSA-N 1 2 459.635 4.022 20 0 JIADLO Fc1ccc(-c2nn(C[N@H+]3CC[C@H]4CCCC[C@@H]4C3)c(=S)n2CCN2CCOCC2)cc1 ZINC001337047589 1066456538 /nfs/dbraw/zinc/45/65/38/1066456538.db2.gz WLLNKBBVXXSDPU-TZIWHRDSSA-N 1 2 459.635 4.022 20 0 JIADLO OCCCC1CCN(c2nnc(-c3ccc(Cl)cc3)n2CCCNc2cccc[nH+]2)CC1 ZINC001316586262 1066609902 /nfs/dbraw/zinc/60/99/02/1066609902.db2.gz MCFUPKTYUFPLGH-UHFFFAOYSA-N 1 2 455.006 4.485 20 0 JIADLO Cc1cccc([C@@H](Cn2c(CC(C)C)nnc2N2CCO[C@@H](C(C)(C)C)C2)[NH+]2CCOCC2)c1 ZINC001492481324 1066627334 /nfs/dbraw/zinc/62/73/34/1066627334.db2.gz VYBMHBAXAXXIBS-DNQXCXABSA-N 1 2 469.674 4.110 20 0 JIADLO C[C@@H](Sc1ccnc2cc(Cl)ccc21)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001347777117 1066697617 /nfs/dbraw/zinc/69/76/17/1066697617.db2.gz RMIXGFGYARBEBJ-YLJYHZDGSA-N 1 2 456.011 4.386 20 0 JIADLO C[C@@H](Sc1ccnc2cc(Cl)ccc21)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001347777117 1066697624 /nfs/dbraw/zinc/69/76/24/1066697624.db2.gz RMIXGFGYARBEBJ-YLJYHZDGSA-N 1 2 456.011 4.386 20 0 JIADLO C[C@@H]1CN(Cc2csc(NC(=O)N3CC[NH+](Cc4ccc(C(F)(F)F)cc4)CC3)n2)C[C@@H](C)O1 ZINC001317846776 1066729437 /nfs/dbraw/zinc/72/94/37/1066729437.db2.gz XYZOHBNOPRAMDM-IAGOWNOFSA-N 1 2 497.587 4.121 20 0 JIADLO Cc1c2cc(Br)cc(C)c2oc1C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001349101901 1066808067 /nfs/dbraw/zinc/80/80/67/1066808067.db2.gz KPVLJTBDQNPUNB-IBGZPJMESA-N 1 2 457.368 4.443 20 0 JIADLO Cc1c2cc(Br)cc(C)c2oc1C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001349101901 1066808068 /nfs/dbraw/zinc/80/80/68/1066808068.db2.gz KPVLJTBDQNPUNB-IBGZPJMESA-N 1 2 457.368 4.443 20 0 JIADLO O=C(C[NH+]1CCC(NC(=O)c2cc(Cl)c3cc(Cl)ccc3n2)CC1)Nc1ccccc1 ZINC001349628360 1066862195 /nfs/dbraw/zinc/86/21/95/1066862195.db2.gz YTJVFNOOOYUYOR-UHFFFAOYSA-N 1 2 457.361 4.375 20 0 JIADLO Cc1cc(C[N@@H+]2CCCN(c3ncccc3C(=O)Nc3ccc(Br)cc3)CC2)no1 ZINC001318090542 1066894666 /nfs/dbraw/zinc/89/46/66/1066894666.db2.gz NUMOKNIHBSWDMW-UHFFFAOYSA-N 1 2 470.371 4.105 20 0 JIADLO Cc1cc(C[N@H+]2CCCN(c3ncccc3C(=O)Nc3ccc(Br)cc3)CC2)no1 ZINC001318090542 1066894670 /nfs/dbraw/zinc/89/46/70/1066894670.db2.gz NUMOKNIHBSWDMW-UHFFFAOYSA-N 1 2 470.371 4.105 20 0 JIADLO COc1ncc(/C=C\C(=O)NC[C@@H](c2ccc(Cl)cc2)[N@@H+]2CCc3sccc3C2)cn1 ZINC001350340419 1066945643 /nfs/dbraw/zinc/94/56/43/1066945643.db2.gz OEGQCZHXRTXJGH-UFZSZQJXSA-N 1 2 454.983 4.129 20 0 JIADLO COc1ncc(/C=C\C(=O)NC[C@@H](c2ccc(Cl)cc2)[N@H+]2CCc3sccc3C2)cn1 ZINC001350340419 1066945652 /nfs/dbraw/zinc/94/56/52/1066945652.db2.gz OEGQCZHXRTXJGH-UFZSZQJXSA-N 1 2 454.983 4.129 20 0 JIADLO O=C(Nc1ccc2nc(C[NH+]3CCCCC3)[nH]c2c1)[C@@H]1CCN(c2ccccc2Br)C1=O ZINC001318214216 1066963367 /nfs/dbraw/zinc/96/33/67/1066963367.db2.gz PWTFSZKUMGDAQQ-KRWDZBQOSA-N 1 2 496.409 4.303 20 0 JIADLO O=C(Nc1cccc(-n2cc[nH+]c2)c1)C1(NS(=O)(=O)c2ccc(Cl)cc2)CCCCC1 ZINC001350614737 1066979212 /nfs/dbraw/zinc/97/92/12/1066979212.db2.gz LNEHTIMGAJQZGW-UHFFFAOYSA-N 1 2 458.971 4.146 20 0 JIADLO O=C(Nc1ccc2nc(C[NH+]3CCCCC3)[nH]c2c1)[C@@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC001318262987 1066990142 /nfs/dbraw/zinc/99/01/42/1066990142.db2.gz RPWJTCLEOXRDSH-IBGZPJMESA-N 1 2 451.958 4.194 20 0 JIADLO O=C(Nc1ccc2nc(C[NH+]3CCCCC3)[nH]c2c1)[C@H]1CSCN1C(=O)c1ccc(Cl)cc1 ZINC001318304866 1067009130 /nfs/dbraw/zinc/00/91/30/1067009130.db2.gz QTNBQHACJWNDAA-OAQYLSRUSA-N 1 2 484.025 4.356 20 0 JIADLO Fc1cc(C[NH+]2CCC(NC(=S)NCc3ccc4c(c3)OCO4)CC2)cc(C(F)(F)F)c1 ZINC001200739916 1067019732 /nfs/dbraw/zinc/01/97/32/1067019732.db2.gz SXHDSYXWVQCZNX-UHFFFAOYSA-N 1 2 469.504 4.202 20 0 JIADLO C[C@]1(c2ccc(Cl)c(Cl)c2)NC(=O)N(C[NH+]2CCC([C@@H]3c4ccccc4NC3=O)CC2)C1=O ZINC001318350986 1067028453 /nfs/dbraw/zinc/02/84/53/1067028453.db2.gz DWFFYMWLQHHRHU-HYBUGGRVSA-N 1 2 487.387 4.166 20 0 JIADLO COc1ccccc1SCc1nnc(N2CCOC[C@H]2C)n1CCCc1cccc(C)[nH+]1 ZINC001300687365 1067030570 /nfs/dbraw/zinc/03/05/70/1067030570.db2.gz OLRMJPXWISBHOV-LJQANCHMSA-N 1 2 453.612 4.140 20 0 JIADLO CN(C(=O)OC(C)(C)C)C1(C)CC[NH+](CN2C(=O)N[C@](C)(c3ccc(C(F)(F)F)cc3)C2=O)CC1 ZINC001318407438 1067039209 /nfs/dbraw/zinc/03/92/09/1067039209.db2.gz ZNXJOWMONNETFI-HSZRJFAPSA-N 1 2 498.546 4.151 20 0 JIADLO COc1cc[nH+]cc1Cn1c(-c2ccccc2Br)nnc1N1CCOC(C)(C)[C@@H]1C ZINC001300692681 1067042662 /nfs/dbraw/zinc/04/26/62/1067042662.db2.gz KKBLHGRKWMBOHJ-HNNXBMFYSA-N 1 2 472.387 4.163 20 0 JIADLO COc1cc[nH+]cc1Cn1c(-c2ccccc2Br)nnc1N1CCOC(C)(C)[C@H]1C ZINC001300692682 1067042827 /nfs/dbraw/zinc/04/28/27/1067042827.db2.gz KKBLHGRKWMBOHJ-OAHLLOKOSA-N 1 2 472.387 4.163 20 0 JIADLO COc1cc[nH+]cc1Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N(C)C[C@H]1CCCOC1 ZINC001300694173 1067047587 /nfs/dbraw/zinc/04/75/87/1067047587.db2.gz OPMFLLKTIWYHPL-QZTJIDSGSA-N 1 2 471.989 4.386 20 0 JIADLO COc1cc[nH+]cc1Cn1c(CC2CCCC2)nnc1N(C)c1cc(OC)c(OC)c(OC)c1 ZINC001300695204 1067051504 /nfs/dbraw/zinc/05/15/04/1067051504.db2.gz PBQMVZXGGMDVEL-UHFFFAOYSA-N 1 2 467.570 4.256 20 0 JIADLO COc1ccc(-c2ncc(C(=O)Nc3ccccc3OCCn3cc[nH+]c3)s2)cc1OC ZINC001351227222 1067061593 /nfs/dbraw/zinc/06/15/93/1067061593.db2.gz KUHFAMFNDIVVFB-UHFFFAOYSA-N 1 2 450.520 4.355 20 0 JIADLO COc1cc[nH+]cc1Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCC[C@@H]1CSC ZINC001300701592 1067061944 /nfs/dbraw/zinc/06/19/44/1067061944.db2.gz DAQAOJAWQJCDKC-HXUWFJFHSA-N 1 2 453.612 4.258 20 0 JIADLO O=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1)c1cc(C(F)(F)F)ccc1Br ZINC001351355151 1067082771 /nfs/dbraw/zinc/08/27/71/1067082771.db2.gz PNCOYIVQFPORNG-MRXNPFEDSA-N 1 2 457.290 4.099 20 0 JIADLO O=C(NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)c1cc(C(F)(F)F)ccc1Br ZINC001351355151 1067082788 /nfs/dbraw/zinc/08/27/88/1067082788.db2.gz PNCOYIVQFPORNG-MRXNPFEDSA-N 1 2 457.290 4.099 20 0 JIADLO COc1cccc(N2CCC(NC(=O)N3CC[NH+](Cc4ccc(C(F)(F)F)cc4)CC3)CC2)c1 ZINC001320481267 1067090915 /nfs/dbraw/zinc/09/09/15/1067090915.db2.gz WLNDWSNZCMMDOH-UHFFFAOYSA-N 1 2 476.543 4.210 20 0 JIADLO COCCn1cc(NC(=O)N2CC[NH+]([C@H](c3ccccc3)c3ccccc3Cl)CC2)ccc1=O ZINC001321440629 1067130539 /nfs/dbraw/zinc/13/05/39/1067130539.db2.gz RIWYAIAKPWWKNI-RUZDIDTESA-N 1 2 480.996 4.087 20 0 JIADLO O=C(NCc1ccccc1)NC1(C(=O)Nc2ccc3nc(C[NH+]4CCCCC4)[nH]c3c2)CCCC1 ZINC001321485275 1067142807 /nfs/dbraw/zinc/14/28/07/1067142807.db2.gz FSOXREOWHHSGOS-UHFFFAOYSA-N 1 2 474.609 4.300 20 0 JIADLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)N3CCC([C@H]4C(=O)Nc5ccccc54)CC3)n2)C1 ZINC001322346770 1067278904 /nfs/dbraw/zinc/27/89/04/1067278904.db2.gz MZFSCFPYXISRCM-IIBYNOLFSA-N 1 2 453.612 4.355 20 0 JIADLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)N3CCC([C@H]4C(=O)Nc5ccccc54)CC3)n2)C1 ZINC001322346770 1067278918 /nfs/dbraw/zinc/27/89/18/1067278918.db2.gz MZFSCFPYXISRCM-IIBYNOLFSA-N 1 2 453.612 4.355 20 0 JIADLO CN(C1CCCCC1)S(=O)(=O)c1cccc(NC(=O)NCCCCNc2cccc[nH+]2)c1 ZINC001200851770 1067356934 /nfs/dbraw/zinc/35/69/34/1067356934.db2.gz OQNPXIYONMUMHR-UHFFFAOYSA-N 1 2 459.616 4.049 20 0 JIADLO O=C(NCc1ccc(N2CCCC2=O)cc1)[C@@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC001355217470 1067390577 /nfs/dbraw/zinc/39/05/77/1067390577.db2.gz AXZFNTHNJPNDIK-JOCHJYFZSA-N 1 2 456.384 4.029 20 0 JIADLO O=C([C@@H]1C[C@H]1c1cc(F)c(F)c(F)c1)N1CC[NH+](Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC001355325642 1067419827 /nfs/dbraw/zinc/41/98/27/1067419827.db2.gz QWTIDVXGCYYEPF-DLBZAZTESA-N 1 2 458.402 4.450 20 0 JIADLO COc1ccc(-c2nnc(N3CCC(C)(C)CC3)n2Cc2ccc(N(C)C)[nH+]c2)cc1OC ZINC001300031218 1067421524 /nfs/dbraw/zinc/42/15/24/1067421524.db2.gz VXNDTYDKJHMHGH-UHFFFAOYSA-N 1 2 450.587 4.098 20 0 JIADLO CC[NH+](CC)Cc1csc(NC(=O)C[C@@H](NC(=O)c2ccc(O)cc2)c2ccccc2)n1 ZINC001300052934 1067525002 /nfs/dbraw/zinc/52/50/02/1067525002.db2.gz GRDBOJXXWQWTQQ-OAQYLSRUSA-N 1 2 452.580 4.190 20 0 JIADLO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)C(F)(F)c2ncccc2Br)C[C@H](C)O1 ZINC001355720197 1067563566 /nfs/dbraw/zinc/56/35/66/1067563566.db2.gz JXZMWBRRYFLAKV-OKILXGFUSA-N 1 2 454.315 4.184 20 0 JIADLO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)C(F)(F)c2ncccc2Br)C[C@H](C)O1 ZINC001355720197 1067563591 /nfs/dbraw/zinc/56/35/91/1067563591.db2.gz JXZMWBRRYFLAKV-OKILXGFUSA-N 1 2 454.315 4.184 20 0 JIADLO CC(C)C(=O)Nc1ccc(CNC(=O)[C@H](c2cccc(Br)c2)[NH+]2CCCC2)cc1 ZINC001355899987 1067602978 /nfs/dbraw/zinc/60/29/78/1067602978.db2.gz HUJVEPLBALWCDQ-NRFANRHFSA-N 1 2 458.400 4.497 20 0 JIADLO Cc1ccc(F)c2c1CCCN2C(=O)C[N@H+](CCNC(=O)OC(C)(C)C)Cc1ccccc1 ZINC001352713018 1067646015 /nfs/dbraw/zinc/64/60/15/1067646015.db2.gz NFALTWKDGSRLFA-UHFFFAOYSA-N 1 2 455.574 4.440 20 0 JIADLO Cc1ccc(F)c2c1CCCN2C(=O)C[N@@H+](CCNC(=O)OC(C)(C)C)Cc1ccccc1 ZINC001352713018 1067646023 /nfs/dbraw/zinc/64/60/23/1067646023.db2.gz NFALTWKDGSRLFA-UHFFFAOYSA-N 1 2 455.574 4.440 20 0 JIADLO Cc1ccc(NC(=S)N2CCC3(CC2)C[N@H+](Cc2ccoc2)CCO3)c(Br)c1 ZINC001200147018 1067757965 /nfs/dbraw/zinc/75/79/65/1067757965.db2.gz ZUHIUXGKMZFRIU-UHFFFAOYSA-N 1 2 464.429 4.414 20 0 JIADLO Cc1ccc(NC(=S)N2CCC3(CC2)C[N@@H+](Cc2ccoc2)CCO3)c(Br)c1 ZINC001200147018 1067757977 /nfs/dbraw/zinc/75/79/77/1067757977.db2.gz ZUHIUXGKMZFRIU-UHFFFAOYSA-N 1 2 464.429 4.414 20 0 JIADLO C[C@@H](c1ccc(F)cc1F)N1CCN(C(=O)Nc2ccccc2OCCn2cc[nH+]c2)CC1 ZINC001200175537 1067809877 /nfs/dbraw/zinc/80/98/77/1067809877.db2.gz VYVIAMNUPVKPKD-SFHVURJKSA-N 1 2 455.509 4.151 20 0 JIADLO CC[C@H](C)[C@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)c1ccn(-c2ccc(F)cc2F)n1 ZINC001357245383 1067823594 /nfs/dbraw/zinc/82/35/94/1067823594.db2.gz CKTDHASHFMXBRQ-BXKMTCNYSA-N 1 2 453.537 4.227 20 0 JIADLO CC[C@H](C)[C@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)c1ccn(-c2ccc(F)cc2F)n1 ZINC001357245383 1067823595 /nfs/dbraw/zinc/82/35/95/1067823595.db2.gz CKTDHASHFMXBRQ-BXKMTCNYSA-N 1 2 453.537 4.227 20 0 JIADLO Cc1cc(Br)cc(C)c1NC(=S)N[C@@H](C)C[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC001200218534 1067856167 /nfs/dbraw/zinc/85/61/67/1067856167.db2.gz KSTKALOODQLUJS-INIZCTEOSA-N 1 2 485.492 4.294 20 0 JIADLO COc1cc2oc(=O)cc(C)c2cc1CCC(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1 ZINC001353105659 1067867366 /nfs/dbraw/zinc/86/73/66/1067867366.db2.gz GVJVSVVCYZASDA-GOSISDBHSA-N 1 2 450.535 4.075 20 0 JIADLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)Nc1ccc(C(=O)NCc2ccc(F)cc2)cc1 ZINC001357544816 1067867690 /nfs/dbraw/zinc/86/76/90/1067867690.db2.gz SSZWNVLNLKNWSQ-UHFFFAOYSA-N 1 2 452.436 4.331 20 0 JIADLO CCn1ccc(C(=O)N2CC[NH+](Cc3ccc(-c4ccc(Br)cc4)s3)CC2)n1 ZINC001353167630 1067886927 /nfs/dbraw/zinc/88/69/27/1067886927.db2.gz UUPNRGLLLJXDJK-UHFFFAOYSA-N 1 2 459.413 4.352 20 0 JIADLO CC(C)(C)OC(=O)N1[C@@H]2CCCC[C@H]2CC[C@H]1C(=O)Nc1cccc(C[NH+]2CCOCC2)c1 ZINC001357927923 1067945880 /nfs/dbraw/zinc/94/58/80/1067945880.db2.gz JXNDKBYSFGDASU-WWNPGLIZSA-N 1 2 457.615 4.416 20 0 JIADLO CCc1ccc(Br)cc1C(=O)N[C@@H](c1ccc(Cl)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC001358072655 1068009918 /nfs/dbraw/zinc/00/99/18/1068009918.db2.gz QEMNSKZVZPCRQR-PMACEKPBSA-N 1 2 451.792 4.467 20 0 JIADLO CCc1ccc(Br)cc1C(=O)N[C@@H](c1ccc(Cl)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC001358072655 1068009933 /nfs/dbraw/zinc/00/99/33/1068009933.db2.gz QEMNSKZVZPCRQR-PMACEKPBSA-N 1 2 451.792 4.467 20 0 JIADLO C[C@@H](Oc1ccccc1C(F)(F)F)C(=O)N(Cc1ccccc1)[C@H](C)C[NH+]1CCOCC1 ZINC001358434996 1068091028 /nfs/dbraw/zinc/09/10/28/1068091028.db2.gz ZGNICZOTTZOECY-RTBURBONSA-N 1 2 450.501 4.222 20 0 JIADLO O=C(C[NH+]1CCC(NC(=O)C(F)(F)c2cc(Cl)ccc2Cl)CC1)Nc1ccccc1 ZINC001353519321 1068257590 /nfs/dbraw/zinc/25/75/90/1068257590.db2.gz VQANCKTZTPYUPT-UHFFFAOYSA-N 1 2 456.320 4.305 20 0 JIADLO COc1cccc(C(C)(C)Cn2c(C)nnc2N(C)C[C@@H](c2cccs2)[NH+]2CCOCC2)c1 ZINC001300331506 1068276658 /nfs/dbraw/zinc/27/66/58/1068276658.db2.gz XYSKNJFZNMCVOC-QFIPXVFZSA-N 1 2 469.655 4.144 20 0 JIADLO Cc1cc(-c2cc(C(=O)Nc3ccn(CC[NH+]4CCOCC4)n3)c3cnn(C(C)C)c3n2)c(C)s1 ZINC000517520599 1068294993 /nfs/dbraw/zinc/29/49/93/1068294993.db2.gz NNDHRXRDUWKSIU-UHFFFAOYSA-N 1 2 493.637 4.139 20 0 JIADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)[C@@H](Oc1ccc(Cl)c(Cl)c1)c1ccccc1 ZINC000518245468 1068304877 /nfs/dbraw/zinc/30/48/77/1068304877.db2.gz SLDYTOLHTKHPML-QFIPXVFZSA-N 1 2 475.376 4.281 20 0 JIADLO COc1cccc([C@@H](C)[NH+]2CCN(C(=O)Nc3nnc(Cc4ccc(C)cc4)s3)CC2)c1 ZINC000518684990 1068310227 /nfs/dbraw/zinc/31/02/27/1068310227.db2.gz UVFJJVSYMYPONJ-GOSISDBHSA-N 1 2 451.596 4.357 20 0 JIADLO CC1(C)C[N@H+](CCNC(=O)Nc2nnc(SCc3c(Cl)cccc3Cl)s2)CCO1 ZINC000524661965 1068354626 /nfs/dbraw/zinc/35/46/26/1068354626.db2.gz DJUQUIKARKSXPN-UHFFFAOYSA-N 1 2 476.455 4.370 20 0 JIADLO CC1(C)C[N@@H+](CCNC(=O)Nc2nnc(SCc3c(Cl)cccc3Cl)s2)CCO1 ZINC000524661965 1068354635 /nfs/dbraw/zinc/35/46/35/1068354635.db2.gz DJUQUIKARKSXPN-UHFFFAOYSA-N 1 2 476.455 4.370 20 0 JIADLO Nc1ccc(C(=O)N2CC[NH+](Cc3ccc(-c4ccc(Br)cc4)s3)CC2)cn1 ZINC000621517344 1068356710 /nfs/dbraw/zinc/35/67/10/1068356710.db2.gz AYXGBPBZDAEIMK-UHFFFAOYSA-N 1 2 457.397 4.113 20 0 JIADLO Cc1nc(NCc2cccc(C(=O)N(C)CC(=O)Nc3ccc(Cl)c(Cl)c3)c2)cc[nH+]1 ZINC000622278651 1068360200 /nfs/dbraw/zinc/36/02/00/1068360200.db2.gz GNXVFHZPJQHFHZ-UHFFFAOYSA-N 1 2 458.349 4.415 20 0 JIADLO Cc1cccc(NC(=O)CN(C[C@H]2CCCO2)C(=O)[C@@H](c2ccc(Cl)cc2)[NH+](C)C)c1C ZINC001353720175 1068509735 /nfs/dbraw/zinc/50/97/35/1068509735.db2.gz LNGQCSSZDLDCKG-ZJSXRUAMSA-N 1 2 458.002 4.206 20 0 JIADLO CSc1ccc([C@H](CNC(=O)[C@@H]2CCC(=O)N2C(C)C)[N@@H+]2CCc3sccc3C2)cc1 ZINC001353918867 1068751593 /nfs/dbraw/zinc/75/15/93/1068751593.db2.gz KJFVUJBYTCYXCI-SFTDATJTSA-N 1 2 457.665 4.085 20 0 JIADLO CSc1ccc([C@H](CNC(=O)[C@@H]2CCC(=O)N2C(C)C)[N@H+]2CCc3sccc3C2)cc1 ZINC001353918867 1068751602 /nfs/dbraw/zinc/75/16/02/1068751602.db2.gz KJFVUJBYTCYXCI-SFTDATJTSA-N 1 2 457.665 4.085 20 0 JIADLO CCN(C(=O)c1ccc(N=S(C)(C)=O)cc1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC001354070170 1068878154 /nfs/dbraw/zinc/87/81/54/1068878154.db2.gz KZERNKPBFPYALK-UHFFFAOYSA-N 1 2 457.644 4.399 20 0 JIADLO COc1ccccc1-c1nnc(N2CC[NH+](Cc3cc(C)no3)CC2)n1C[C@@H](SC)C(C)(C)C ZINC001300513984 1068895354 /nfs/dbraw/zinc/89/53/54/1068895354.db2.gz WBHQHFUQDBFDFV-JOCHJYFZSA-N 1 2 484.670 4.350 20 0 JIADLO CC[C@@H](c1nnc(NC(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)s1)c1ccccc1 ZINC000504036654 1068974298 /nfs/dbraw/zinc/97/42/98/1068974298.db2.gz NSUVCHVUIUECKD-LEWJYISDSA-N 1 2 451.596 4.103 20 0 JIADLO CC[C@@H](c1nnc(NC(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)s1)c1ccccc1 ZINC000504036654 1068974310 /nfs/dbraw/zinc/97/43/10/1068974310.db2.gz NSUVCHVUIUECKD-LEWJYISDSA-N 1 2 451.596 4.103 20 0 JIADLO CC(C)Cn1cc([C@@H]2[N@H+](Cc3c(Cl)cccc3N3CCOCC3)CC23CCOCC3)cn1 ZINC000849480578 1069049221 /nfs/dbraw/zinc/04/92/21/1069049221.db2.gz HCPYBLPZOHBEOC-DEOSSOPVSA-N 1 2 459.034 4.383 20 0 JIADLO CC(C)Cn1cc([C@@H]2[N@@H+](Cc3c(Cl)cccc3N3CCOCC3)CC23CCOCC3)cn1 ZINC000849480578 1069049238 /nfs/dbraw/zinc/04/92/38/1069049238.db2.gz HCPYBLPZOHBEOC-DEOSSOPVSA-N 1 2 459.034 4.383 20 0 JIADLO COc1cc(C[N@@H+]2CC3(CCOCC3)[C@H]2c2cnn(CC(C)C)c2)ccc1OC(=O)C1CC1 ZINC000849479430 1069049550 /nfs/dbraw/zinc/04/95/50/1069049550.db2.gz QRPSTAFSRNDVFO-XMMPIXPASA-N 1 2 453.583 4.217 20 0 JIADLO COc1cc(C[N@H+]2CC3(CCOCC3)[C@H]2c2cnn(CC(C)C)c2)ccc1OC(=O)C1CC1 ZINC000849479430 1069049556 /nfs/dbraw/zinc/04/95/56/1069049556.db2.gz QRPSTAFSRNDVFO-XMMPIXPASA-N 1 2 453.583 4.217 20 0 JIADLO Cc1ccc2[nH+]c(CSCC(=O)N3CC4(CCOCC4)[C@@H]3c3cnn(CC(C)C)c3)cn2c1 ZINC000849530190 1069132398 /nfs/dbraw/zinc/13/23/98/1069132398.db2.gz RICIJTFAALIPHV-DEOSSOPVSA-N 1 2 467.639 4.109 20 0 JIADLO Cc1nc(NCc2cccc(C(=O)N3CC4(CCOCC4)[C@H]3c3cnn(CC(C)C)c3)c2)cc[nH+]1 ZINC000849541837 1069172709 /nfs/dbraw/zinc/17/27/09/1069172709.db2.gz SLANFYTYSOFBHG-RUZDIDTESA-N 1 2 474.609 4.244 20 0 JIADLO CC[N@H+](CC(=O)N1CC2(CCOCC2)[C@@H]1c1cnn(CC(C)C)c1)Cc1ccccc1Cl ZINC000849544077 1069176790 /nfs/dbraw/zinc/17/67/90/1069176790.db2.gz XJWAGHKYMFCCOM-DEOSSOPVSA-N 1 2 459.034 4.395 20 0 JIADLO CC[N@@H+](CC(=O)N1CC2(CCOCC2)[C@@H]1c1cnn(CC(C)C)c1)Cc1ccccc1Cl ZINC000849544077 1069176796 /nfs/dbraw/zinc/17/67/96/1069176796.db2.gz XJWAGHKYMFCCOM-DEOSSOPVSA-N 1 2 459.034 4.395 20 0 JIADLO CN(C)c1ccc([NH+]2CCC(NC(=O)c3cccc(C(=O)N(C)c4ccccc4)c3)CC2)cc1 ZINC001354414871 1069199918 /nfs/dbraw/zinc/19/99/18/1069199918.db2.gz PTUVWBPXGWGXDZ-UHFFFAOYSA-N 1 2 456.590 4.428 20 0 JIADLO CN(C)c1ccc([NH+]2CCC(NC(=O)[C@@H]3CC[C@@H](C4CC4)N3C(=O)OC(C)(C)C)CC2)cc1 ZINC001354414821 1069200142 /nfs/dbraw/zinc/20/01/42/1069200142.db2.gz OLUOUJGXNXFQNV-GOTSBHOMSA-N 1 2 456.631 4.016 20 0 JIADLO FC(F)(c1cnc(Cl)nc1Cl)N1CCO[C@@H](c2[nH+]cn3c2cccc3Br)C1 ZINC001164415763 718889518 /nfs/dbraw/zinc/88/95/18/718889518.db2.gz AQRVVYFCCMINGT-LLVKDONJSA-N 1 2 479.112 4.316 20 0 JIADLO Fc1c(Cl)nccc1C(F)(F)N1CCO[C@H](c2[nH+]cn3c2cccc3Br)C1 ZINC001164420843 718889531 /nfs/dbraw/zinc/88/95/31/718889531.db2.gz WGYMIGZKPCJUFO-LBPRGKRZSA-N 1 2 461.669 4.407 20 0 JIADLO Fc1ccc(Cl)nc1C(F)(F)N1CCO[C@H](c2[nH+]cn3c2cccc3Br)C1 ZINC001164417125 718890061 /nfs/dbraw/zinc/89/00/61/718890061.db2.gz ICUDUMBDQAVAQQ-LBPRGKRZSA-N 1 2 461.669 4.407 20 0 JIADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nccc3c1C(=O)OC3(C)C)CC2 ZINC001164663781 719349215 /nfs/dbraw/zinc/34/92/15/719349215.db2.gz LPLTWVGLGHKVKS-UHFFFAOYSA-N 1 2 457.578 4.182 20 0 JIADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nccc3c1C(=O)OC3(C)C)CC2 ZINC001164663781 719349216 /nfs/dbraw/zinc/34/92/16/719349216.db2.gz LPLTWVGLGHKVKS-UHFFFAOYSA-N 1 2 457.578 4.182 20 0 JIADLO CCOC(=O)c1cnc(N2CCC3(CC2)c2ncc(-c4ccccc4)n2CC[N@H+]3CC)cc1OCC ZINC001164663848 719349722 /nfs/dbraw/zinc/34/97/22/719349722.db2.gz NSNRQAOIAIFBRH-UHFFFAOYSA-N 1 2 489.620 4.352 20 0 JIADLO CCOC(=O)c1cnc(N2CCC3(CC2)c2ncc(-c4ccccc4)n2CC[N@@H+]3CC)cc1OCC ZINC001164663848 719349724 /nfs/dbraw/zinc/34/97/24/719349724.db2.gz NSNRQAOIAIFBRH-UHFFFAOYSA-N 1 2 489.620 4.352 20 0 JIADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ccc(Cl)c(C(=O)OC)n1)CC2 ZINC001164664081 719349875 /nfs/dbraw/zinc/34/98/75/719349875.db2.gz QKENLRCQDDAMAB-UHFFFAOYSA-N 1 2 465.985 4.216 20 0 JIADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ccc(Cl)c(C(=O)OC)n1)CC2 ZINC001164664081 719349879 /nfs/dbraw/zinc/34/98/79/719349879.db2.gz QKENLRCQDDAMAB-UHFFFAOYSA-N 1 2 465.985 4.216 20 0 JIADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1cc(C(=O)N(C)OC)cc(Cl)n1)CC2 ZINC001164660952 719351259 /nfs/dbraw/zinc/35/12/59/719351259.db2.gz ZPJRQFQXFQEPPB-UHFFFAOYSA-N 1 2 495.027 4.063 20 0 JIADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1cc(C(=O)N(C)OC)cc(Cl)n1)CC2 ZINC001164660952 719351261 /nfs/dbraw/zinc/35/12/61/719351261.db2.gz ZPJRQFQXFQEPPB-UHFFFAOYSA-N 1 2 495.027 4.063 20 0 JIADLO CCN1CCn2c(-c3ccccc3)cnc2C12CCN(c1[nH+]cc(C)cc1/C=C\C(=O)OC)CC2 ZINC001164659714 719352580 /nfs/dbraw/zinc/35/25/80/719352580.db2.gz RVBWQIVOYQWLGU-KHPPLWFESA-N 1 2 471.605 4.271 20 0 JIADLO CCOCc1cnc(Cl)nc1N1CCC2(CC1)c1ncc(-c3ccccc3)n1CC[N@H+]2CC ZINC001164659975 719353007 /nfs/dbraw/zinc/35/30/07/719353007.db2.gz TVJCUZCPASOUAJ-UHFFFAOYSA-N 1 2 467.017 4.361 20 0 JIADLO CCOCc1cnc(Cl)nc1N1CCC2(CC1)c1ncc(-c3ccccc3)n1CC[N@@H+]2CC ZINC001164659975 719353009 /nfs/dbraw/zinc/35/30/09/719353009.db2.gz TVJCUZCPASOUAJ-UHFFFAOYSA-N 1 2 467.017 4.361 20 0 JIADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1cccc(SCC(=O)OC)n1)CC2 ZINC001164658110 719353134 /nfs/dbraw/zinc/35/31/34/719353134.db2.gz DNCYNZMETCDCGG-UHFFFAOYSA-N 1 2 477.634 4.041 20 0 JIADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1cccc(SCC(=O)OC)n1)CC2 ZINC001164658110 719353137 /nfs/dbraw/zinc/35/31/37/719353137.db2.gz DNCYNZMETCDCGG-UHFFFAOYSA-N 1 2 477.634 4.041 20 0 JIADLO CCOC(=O)c1c(Cl)nc(SC)nc1N1CCC2(CC1)COCC[N@@H+]2Cc1ccc(F)cc1 ZINC001164673032 719507476 /nfs/dbraw/zinc/50/74/76/719507476.db2.gz MPMAMTMVBZYEDC-UHFFFAOYSA-N 1 2 495.020 4.039 20 0 JIADLO CCOC(=O)c1c(Cl)nc(SC)nc1N1CCC2(CC1)COCC[N@H+]2Cc1ccc(F)cc1 ZINC001164673032 719507480 /nfs/dbraw/zinc/50/74/80/719507480.db2.gz MPMAMTMVBZYEDC-UHFFFAOYSA-N 1 2 495.020 4.039 20 0 JIADLO Fc1ccc(C[N@@H+]2CCOCC23CCN(c2nc(Cl)nc(Oc4cccc(F)c4)n2)CC3)cc1 ZINC001164670566 719515084 /nfs/dbraw/zinc/51/50/84/719515084.db2.gz DOBAXQJMJUZQCA-UHFFFAOYSA-N 1 2 487.938 4.467 20 0 JIADLO Fc1ccc(C[N@H+]2CCOCC23CCN(c2nc(Cl)nc(Oc4cccc(F)c4)n2)CC3)cc1 ZINC001164670566 719515090 /nfs/dbraw/zinc/51/50/90/719515090.db2.gz DOBAXQJMJUZQCA-UHFFFAOYSA-N 1 2 487.938 4.467 20 0 JIADLO COC(=O)C[C@H](c1ccnc(N2CCC3(CC2)COCC[N@@H+]3Cc2ccc(F)cc2)c1)C1CC1 ZINC001164670416 719522093 /nfs/dbraw/zinc/52/20/93/719522093.db2.gz DGRANDZLCUYYBQ-DEOSSOPVSA-N 1 2 467.585 4.149 20 0 JIADLO COC(=O)C[C@H](c1ccnc(N2CCC3(CC2)COCC[N@H+]3Cc2ccc(F)cc2)c1)C1CC1 ZINC001164670416 719522103 /nfs/dbraw/zinc/52/21/03/719522103.db2.gz DGRANDZLCUYYBQ-DEOSSOPVSA-N 1 2 467.585 4.149 20 0 JIADLO Fc1ccc(C[N@@H+]2CCOCC23CCN(c2nc(-c4ccncc4)nc4c2CCC4)CC3)cc1 ZINC001164678188 719528886 /nfs/dbraw/zinc/52/88/86/719528886.db2.gz JPUQTHTUUFVOOU-UHFFFAOYSA-N 1 2 459.569 4.038 20 0 JIADLO Fc1ccc(C[N@H+]2CCOCC23CCN(c2nc(-c4ccncc4)nc4c2CCC4)CC3)cc1 ZINC001164678188 719528891 /nfs/dbraw/zinc/52/88/91/719528891.db2.gz JPUQTHTUUFVOOU-UHFFFAOYSA-N 1 2 459.569 4.038 20 0 JIADLO NC(=O)c1ccc(-c2c[nH+]c3n2CCC32CCN(C(F)(F)c3ccnc(Cl)c3)CC2)cc1 ZINC001164697452 719829820 /nfs/dbraw/zinc/82/98/20/719829820.db2.gz OFRJKDMECCKELA-UHFFFAOYSA-N 1 2 457.912 4.184 20 0 JIADLO NC(=O)c1ccc(-c2c[nH+]c3n2CCC32CCN(C(F)(F)c3cnc(Cl)c(F)c3)CC2)cc1 ZINC001164698179 719829993 /nfs/dbraw/zinc/82/99/93/719829993.db2.gz SIVKOKANUPQRPV-UHFFFAOYSA-N 1 2 475.902 4.323 20 0 JIADLO FC(F)(c1cnc(Cl)c(-c2cccs2)c1)N1CCCn2nnc(Cn3cc[nH+]c3)c2C1 ZINC001164831080 720400717 /nfs/dbraw/zinc/40/07/17/720400717.db2.gz URUUUXMRJLCMLT-UHFFFAOYSA-N 1 2 461.929 4.255 20 0 JIADLO F[C@@H](Oc1cccc(-c2ccc(Cl)nn2)c1)N1Cc2c[nH+]cn2C[C@H](COCC2CC2)C1 ZINC001164755817 720980458 /nfs/dbraw/zinc/98/04/58/720980458.db2.gz BZCWLKPZWSVUEI-UZUQRXQVSA-N 1 2 457.937 4.184 20 0 JIADLO FC(F)(c1ccc2ncnc(Cl)c2c1)N1Cc2c[nH+]cn2C[C@H](COc2cccnc2)C1 ZINC001164768131 721273602 /nfs/dbraw/zinc/27/36/02/721273602.db2.gz KMAMITXWABTIQN-HNNXBMFYSA-N 1 2 456.884 4.135 20 0 JIADLO FC(F)(c1nc2ccccc2nc1Cl)N1Cc2c[nH+]cn2C[C@H](COc2cccnc2)C1 ZINC001164770619 721274633 /nfs/dbraw/zinc/27/46/33/721274633.db2.gz UVAYJZSTMBKUCC-HNNXBMFYSA-N 1 2 456.884 4.135 20 0 JIADLO FC(F)(c1ccc2cnc(Cl)nc2c1)N1Cc2c[nH+]cn2C[C@@H](COc2cccnc2)C1 ZINC001164767076 721274733 /nfs/dbraw/zinc/27/47/33/721274733.db2.gz FKKDYBNADYKAOP-OAHLLOKOSA-N 1 2 456.884 4.135 20 0 JIADLO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3nc(Cl)ccc3CN3CCCC3)C2)C1 ZINC001164778217 721354349 /nfs/dbraw/zinc/35/43/49/721354349.db2.gz LGUAIURDTDMJNN-VWLOTQADSA-N 1 2 474.049 4.055 20 0 JIADLO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3nc(Cl)ccc3CN3CCCC3)C2)C1 ZINC001164778217 721354352 /nfs/dbraw/zinc/35/43/52/721354352.db2.gz LGUAIURDTDMJNN-VWLOTQADSA-N 1 2 474.049 4.055 20 0 JIADLO COc1ccccc1-c1cc(C(F)(F)N2C[C@H]3C[NH+](Cc4nccs4)C[C@@H]3C2)c(Cl)nn1 ZINC001164780841 721438807 /nfs/dbraw/zinc/43/88/07/721438807.db2.gz CIBJLJNVLQTCPI-HUUCEWRRSA-N 1 2 477.968 4.375 20 0 JIADLO Cc1cnc2n1CC[N@@H+](C)C21CCN(C(F)(F)Oc2ccc3nc(Cl)c(Cl)nc3c2)CC1 ZINC001164917322 721815249 /nfs/dbraw/zinc/81/52/49/721815249.db2.gz LDRMWLKBBDMQTG-UHFFFAOYSA-N 1 2 483.350 4.307 20 0 JIADLO Cc1cnc2n1CC[N@H+](C)C21CCN(C(F)(F)Oc2ccc3nc(Cl)c(Cl)nc3c2)CC1 ZINC001164917322 721815250 /nfs/dbraw/zinc/81/52/50/721815250.db2.gz LDRMWLKBBDMQTG-UHFFFAOYSA-N 1 2 483.350 4.307 20 0 JIADLO COc1cccc(-c2nc3ccccc3c(N3CCC4(CC3)c3[nH+]cc(C)n3CCN4C)n2)c1 ZINC001164919761 721820238 /nfs/dbraw/zinc/82/02/38/721820238.db2.gz VVMXDXNOONJIHJ-UHFFFAOYSA-N 1 2 454.578 4.251 20 0 JIADLO c1ccc(C[N@@H+]2CCc3ncnc(N4CCC[C@]5(C[C@@H](OCC6CCCC6)CO5)C4)c3C2)cc1 ZINC001164981909 722163939 /nfs/dbraw/zinc/16/39/39/722163939.db2.gz SXKXLMYNTFYXMK-YWEHKCAJSA-N 1 2 462.638 4.370 20 0 JIADLO c1ccc(C[N@H+]2CCc3ncnc(N4CCC[C@]5(C[C@@H](OCC6CCCC6)CO5)C4)c3C2)cc1 ZINC001164981909 722163942 /nfs/dbraw/zinc/16/39/42/722163942.db2.gz SXKXLMYNTFYXMK-YWEHKCAJSA-N 1 2 462.638 4.370 20 0 JIADLO CC(C)(C)c1nnc(N2CCC[C@@H](C(=O)Nc3ccc(Cl)cn3)C2)n1CCCNc1cccc[nH+]1 ZINC001359508916 1069784740 /nfs/dbraw/zinc/78/47/40/1069784740.db2.gz KSFZGGUGUAXTFA-GOSISDBHSA-N 1 2 497.047 4.376 20 0 JIADLO CC(C)(C)c1nnc(N2CCC[C@H](C(F)(F)F)C2)n1C[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001359509376 1069786070 /nfs/dbraw/zinc/78/60/70/1069786070.db2.gz WRTGMNNJCQTQSK-PMACEKPBSA-N 1 2 465.564 4.255 20 0 JIADLO CC(C)(C)c1nnc(N2CCC[C@H](C(F)(F)F)C2)n1C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001359509376 1069786093 /nfs/dbraw/zinc/78/60/93/1069786093.db2.gz WRTGMNNJCQTQSK-PMACEKPBSA-N 1 2 465.564 4.255 20 0 JIADLO CC(C)(C)Cc1nnc(N2CCC[C@H](C(F)F)C2)n1C[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001359534080 1069826975 /nfs/dbraw/zinc/82/69/75/1069826975.db2.gz OFTKHTFBCDDUIU-LEWJYISDSA-N 1 2 461.601 4.249 20 0 JIADLO CC(C)(C)Cc1nnc(N2CCC[C@H](C(F)F)C2)n1C[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001359534080 1069826976 /nfs/dbraw/zinc/82/69/76/1069826976.db2.gz OFTKHTFBCDDUIU-LEWJYISDSA-N 1 2 461.601 4.249 20 0 JIADLO CC(C)(C)O[C@@H]1CCCN(c2nnc(C(C)(C)C)n2C[C@@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC001359579947 1070000417 /nfs/dbraw/zinc/00/04/17/1070000417.db2.gz XOOSCYPDMNNAIK-PKTZIBPZSA-N 1 2 469.674 4.261 20 0 JIADLO CC(C)(C)O[C@@H]1CCCN(c2nnc(C(C)(C)C)n2C[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC001359579947 1070000434 /nfs/dbraw/zinc/00/04/34/1070000434.db2.gz XOOSCYPDMNNAIK-PKTZIBPZSA-N 1 2 469.674 4.261 20 0 JIADLO CC(C)=CCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1 ZINC001359606311 1070066732 /nfs/dbraw/zinc/06/67/32/1070066732.db2.gz HOOFFRDOLQWJGX-VXKWHMMOSA-N 1 2 498.647 4.046 20 0 JIADLO CC(C)=CCCn1c(-c2ccc(Cl)cc2F)nnc1N1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1 ZINC001359607134 1070068365 /nfs/dbraw/zinc/06/83/65/1070068365.db2.gz FZGVIXUCODYJLH-LJQANCHMSA-N 1 2 489.039 4.227 20 0 JIADLO CC(C)=CCCn1c(CCOc2ccccc2)nnc1N1CC[NH+](Cc2cnc(C)s2)CC1 ZINC001359612057 1070074733 /nfs/dbraw/zinc/07/47/33/1070074733.db2.gz BXUNTTGOLGLKJN-UHFFFAOYSA-N 1 2 466.655 4.343 20 0 JIADLO CC(C)[C@H](Cn1c(Cc2ccc(Cl)cc2)nnc1N(C)CC[NH+]1CCOCC1)c1cccnc1 ZINC001359664024 1070289623 /nfs/dbraw/zinc/28/96/23/1070289623.db2.gz YHXLKKCCJHGZDJ-DEOSSOPVSA-N 1 2 483.060 4.126 20 0 JIADLO CC(C)c1nnc(N(C)Cc2c(F)cccc2Cl)n1Cc1ccc(N2CCOCC2)[nH+]c1 ZINC001359679782 1070335999 /nfs/dbraw/zinc/33/59/99/1070335999.db2.gz UDEMSBHOSPZXFT-UHFFFAOYSA-N 1 2 458.969 4.110 20 0 JIADLO COc1ccc(C[NH+]2CCN(c3nnc(CC4CCCC4)n3CCCOC(F)(F)F)CC2)cc1F ZINC001315504438 1064414650 /nfs/dbraw/zinc/41/46/50/1064414650.db2.gz CSAWHETWQOHFKW-UHFFFAOYSA-N 1 2 499.553 4.407 20 0 JIADLO COc1ccc(C[NH+]2CCN(c3nnc(CC(C)(C)C)n3CC(C)(C)SC)CC2)cc1F ZINC001315504792 1064416592 /nfs/dbraw/zinc/41/65/92/1064416592.db2.gz ISYHRNXGIGPYCT-UHFFFAOYSA-N 1 2 463.667 4.478 20 0 JIADLO COc1ccc(F)cc1C[NH+]1CCN(c2nnc(C(C)(C)C)n2C[C@H]2CCCSC2)CC1 ZINC001315515066 1064461386 /nfs/dbraw/zinc/46/13/86/1064461386.db2.gz FKIXVBCDOXJWDA-GOSISDBHSA-N 1 2 461.651 4.189 20 0 JIADLO COc1ccc(OCc2nnc(N3CC(C)(C)OC[C@@H]3C)n2CCCc2cccc(C)[nH+]2)cc1 ZINC001315524451 1064497649 /nfs/dbraw/zinc/49/76/49/1064497649.db2.gz IZWPXKWCZMKJMG-FQEVSTJZSA-N 1 2 465.598 4.206 20 0 JIADLO COc1ccccc1[C@@H](Cn1c(N2CC[NH+](Cc3cc(C)no3)CC2)nnc1C(C)(C)C)OC(C)C ZINC001315590444 1064677398 /nfs/dbraw/zinc/67/73/98/1064677398.db2.gz DWDFKPVXOANXRA-XMMPIXPASA-N 1 2 496.656 4.369 20 0 JIADLO COc1ccccc1OCc1nnc(N2CCCC(C)(C)C2)n1CCCNc1cccc[nH+]1 ZINC001315657417 1064849290 /nfs/dbraw/zinc/84/92/90/1064849290.db2.gz YBGPGNYECSFHJH-UHFFFAOYSA-N 1 2 450.587 4.389 20 0 JIADLO COc1ccccc1SCc1nnc(N(C)C2CCC(C)CC2)n1C[C@@H](C)[NH+]1CCOCC1 ZINC001315660562 1064858319 /nfs/dbraw/zinc/85/83/19/1064858319.db2.gz KIPSSBLTWDZQIR-NYLDSWQDSA-N 1 2 473.687 4.315 20 0 JIADLO COc1ccccc1SCc1nnc(N(C)CC2CCCCC2)n1C[C@@H](C)[NH+]1CCOCC1 ZINC001315662643 1064866732 /nfs/dbraw/zinc/86/67/32/1064866732.db2.gz ZHQMDYNNNNAZQZ-HXUWFJFHSA-N 1 2 473.687 4.316 20 0 JIADLO COc1cc[nH+]cc1Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N(C)Cc1cc(C)on1 ZINC001315669189 1064895464 /nfs/dbraw/zinc/89/54/64/1064895464.db2.gz JBHCLGCERARPNC-UHFFFAOYSA-N 1 2 478.553 4.126 20 0 JIADLO COc1cc[nH+]cc1Cn1c(-c2ccc(C)c(Br)c2)nnc1N1C[C@@H](C)O[C@H](C)C1 ZINC001315669863 1064898129 /nfs/dbraw/zinc/89/81/29/1064898129.db2.gz PHWNKNQYPUPWJR-HZPDHXFCSA-N 1 2 472.387 4.082 20 0 JIADLO COc1cc[nH+]cc1Cn1c([C@@H]2CCCCO2)nnc1N(C)Cc1ccccc1Br ZINC001315672318 1064902260 /nfs/dbraw/zinc/90/22/60/1064902260.db2.gz OGTCKYQGYIYCII-FQEVSTJZSA-N 1 2 472.387 4.371 20 0 JIADLO COc1cc[nH+]cc1Cn1c(CC(C)(C)C)nnc1N1CCC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC001315672245 1064902518 /nfs/dbraw/zinc/90/25/18/1064902518.db2.gz QTMKVXWXXXPVSQ-RTBURBONSA-N 1 2 486.661 4.448 20 0 JIADLO COc1cc[nH+]cc1Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)CCC(F)(F)F ZINC001315673143 1064905328 /nfs/dbraw/zinc/90/53/28/1064905328.db2.gz XUERWJSIMVKFRR-INIZCTEOSA-N 1 2 498.550 4.233 20 0 JIADLO CO[C@H]1CN(c2nnc(-c3cccc(Br)c3)n2Cc2ccc(N(C)C)[nH+]c2)CC[C@H]1C ZINC001315711751 1064990137 /nfs/dbraw/zinc/99/01/37/1064990137.db2.gz GEJLRBPOIJSGEF-UZLBHIALSA-N 1 2 485.430 4.078 20 0 JIADLO COC[C@H](C)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CC[C@@H]([NH+]2CCN(C(C)C)CC2)C1 ZINC001315781431 1065112435 /nfs/dbraw/zinc/11/24/35/1065112435.db2.gz KLDQWQSVMHYFCC-UYAOXDASSA-N 1 2 495.499 4.139 20 0 JIADLO COC[C@@H](C)Cn1c(CC(C)(C)C)nnc1N1CC[NH+](CCOc2ccccc2Cl)CC1 ZINC001315784864 1065118852 /nfs/dbraw/zinc/11/88/52/1065118852.db2.gz CZCIRZUWUQCTLT-IBGZPJMESA-N 1 2 464.054 4.004 20 0 JIADLO COC[C@H]1CCCCN(c2nnc(Cc3ccncc3)n2C[C@@H](c2c(F)cccc2F)[NH+](C)C)C1 ZINC001315882362 1065322101 /nfs/dbraw/zinc/32/21/01/1065322101.db2.gz SDFCPHPHLUNOLE-REWPJTCUSA-N 1 2 484.595 4.098 20 0 JIADLO COC[C@@H]1CCCCN(c2nnc(Cc3ccncc3)n2C[C@H](c2c(F)cccc2F)[NH+](C)C)C1 ZINC001315882353 1065322163 /nfs/dbraw/zinc/32/21/63/1065322163.db2.gz SDFCPHPHLUNOLE-NFBKMPQASA-N 1 2 484.595 4.098 20 0 JIADLO COC[C@@H]1CCCCN(c2nnc(Cc3ccccn3)n2C[C@@H](c2c(F)cccc2F)[NH+](C)C)C1 ZINC001315883909 1065327163 /nfs/dbraw/zinc/32/71/63/1065327163.db2.gz WEIRYICFWJOTMH-XXBNENTESA-N 1 2 484.595 4.098 20 0 JIADLO COCC1CCN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2Cc2c[nH+]ccc2OC)CC1 ZINC001315909987 1065402544 /nfs/dbraw/zinc/40/25/44/1065402544.db2.gz SYHABYBRYYIEQH-UHFFFAOYSA-N 1 2 481.597 4.056 20 0 JIADLO COCCC(C)(C)Cn1c(Cc2ccccc2C)nnc1N1CCc2c(cc[nH+]c2N(C)C)C1 ZINC001315960184 1065512319 /nfs/dbraw/zinc/51/23/19/1065512319.db2.gz NWWCRVIDJKBZBF-UHFFFAOYSA-N 1 2 462.642 4.264 20 0 JIADLO COCCN(CC(C)C)c1nnc(-c2ccc(OC)cc2)n1C[C@@H]1CCCn2cc(C)[nH+]c21 ZINC001316087640 1065741143 /nfs/dbraw/zinc/74/11/43/1065741143.db2.gz ZVNGCKZCYKVQCR-NRFANRHFSA-N 1 2 452.603 4.145 20 0 JIADLO COCCO[C@@H](C)c1nnc(N2CCC(Cl)=C(Cl)C2)n1Cc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC001316179262 1065859368 /nfs/dbraw/zinc/85/93/68/1065859368.db2.gz UGIJHWDMVOOVKX-HNNXBMFYSA-N 1 2 495.386 4.275 20 0 JIADLO COCCO[C@@H](C)c1nnc(N2CC[NH+](Cc3cccc(Cl)c3)CC2)n1CC1=CCCCC1 ZINC001316215599 1065926056 /nfs/dbraw/zinc/92/60/56/1065926056.db2.gz QIAJHAWNLKGTNC-FQEVSTJZSA-N 1 2 474.049 4.478 20 0 JIADLO COCCOC[C@@H]1CCN(c2nnc(CC(C)(C)C)n2Cc2ccc(N3CCC(C)CC3)[nH+]c2)C1 ZINC001316259009 1066006529 /nfs/dbraw/zinc/00/65/29/1066006529.db2.gz LCWLKVRKTIBTKB-HSZRJFAPSA-N 1 2 484.689 4.036 20 0 JIADLO CS[C@H](C)Cn1c(-c2ccc(C)o2)nnc1N(C)C[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC001316376622 1066138968 /nfs/dbraw/zinc/13/89/68/1066138968.db2.gz SBIKRHJRYWJBOK-MSOLQXFVSA-N 1 2 461.657 4.169 20 0 JIADLO O=C(Nc1cccc(C[NH+]2CCOCC2)c1)c1cnc2c(c1)c(C1CC1)nn2-c1ccccc1 ZINC001324553367 1066222640 /nfs/dbraw/zinc/22/26/40/1066222640.db2.gz OVXIFSZHXOZLAQ-UHFFFAOYSA-N 1 2 453.546 4.382 20 0 JIADLO CSC[C@@H]1CCCN1c1nnc([C@H]2CCCO2)n1C[C@H](c1c(F)cccc1F)[NH+](C)C ZINC001316442567 1066305183 /nfs/dbraw/zinc/30/51/83/1066305183.db2.gz MKLHAGUZEHVYHW-KFKAGJAMSA-N 1 2 451.587 4.043 20 0 JIADLO CCOC(=O)C1C(C[N@@H+]2CCC[C@@H]2c2cccc(OC)c2)=NC(=O)N[C@H]1c1ccc(Cl)cc1 ZINC001327303106 1066315788 /nfs/dbraw/zinc/31/57/88/1066315788.db2.gz JESMAJMLBGXKGD-GGAORHGYSA-N 1 2 469.969 4.357 20 0 JIADLO CCOC(=O)C1C(C[N@H+]2CCC[C@@H]2c2cccc(OC)c2)=NC(=O)N[C@H]1c1ccc(Cl)cc1 ZINC001327303106 1066315807 /nfs/dbraw/zinc/31/58/07/1066315807.db2.gz JESMAJMLBGXKGD-GGAORHGYSA-N 1 2 469.969 4.357 20 0 JIADLO CCOC(=O)C1=C(C[N@@H+]2CCC[C@@H]2c2cccc(OC)c2)NC(=O)N[C@H]1c1ccc(Cl)cc1 ZINC001327303106 1066315824 /nfs/dbraw/zinc/31/58/24/1066315824.db2.gz JESMAJMLBGXKGD-GGAORHGYSA-N 1 2 469.969 4.357 20 0 JIADLO CCOC(=O)C1=C(C[N@H+]2CCC[C@@H]2c2cccc(OC)c2)NC(=O)N[C@H]1c1ccc(Cl)cc1 ZINC001327303106 1066315834 /nfs/dbraw/zinc/31/58/34/1066315834.db2.gz JESMAJMLBGXKGD-GGAORHGYSA-N 1 2 469.969 4.357 20 0 JIADLO CSCCCCn1c(-c2ccccn2)nnc1N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC001316459167 1066351200 /nfs/dbraw/zinc/35/12/00/1066351200.db2.gz QZSFFIJLAKOFSM-UHFFFAOYSA-N 1 2 457.047 4.459 20 0 JIADLO CSCCCN(C)c1nnc(COc2cccc(C)c2)n1C[C@H]1CCCn2cc(C)[nH+]c21 ZINC001316469473 1066374463 /nfs/dbraw/zinc/37/44/63/1066374463.db2.gz FLQHAZHVCRWCLO-HXUWFJFHSA-N 1 2 454.644 4.437 20 0 JIADLO CSCCCn1c(-c2ccc(Br)s2)nnc1N1CC[NH+](Cc2cc(C)no2)CC1 ZINC001316475523 1066386232 /nfs/dbraw/zinc/38/62/32/1066386232.db2.gz QYLSAZWOEQDKAP-UHFFFAOYSA-N 1 2 497.488 4.141 20 0 JIADLO CSCCCn1c(CC(C)(C)C)nnc1N(C)C[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC001316476021 1066387001 /nfs/dbraw/zinc/38/70/01/1066387001.db2.gz JGZORNFZGIWAGM-SFHVURJKSA-N 1 2 451.706 4.191 20 0 JIADLO Cc1cccc(CCCn2c(-c3ccc(Br)s3)nnc2N2CCOC[C@H]2C)[nH+]1 ZINC001492525040 1066400870 /nfs/dbraw/zinc/40/08/70/1066400870.db2.gz GERSBXWBSRPECY-OAHLLOKOSA-N 1 2 462.417 4.330 20 0 JIADLO Cc1cccc(CCCn2c(-c3cc(F)ccc3Br)nnc2N(C)[C@@H]2CCOC2)[nH+]1 ZINC001492525287 1066404733 /nfs/dbraw/zinc/40/47/33/1066404733.db2.gz PCNKZHMVGDHSCG-GOSISDBHSA-N 1 2 474.378 4.408 20 0 JIADLO Cc1cccc(CCCn2c([C@H]3CCCCO3)nnc2N2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)[nH+]1 ZINC001492525685 1066406650 /nfs/dbraw/zinc/40/66/50/1066406650.db2.gz GQBMTUIHFDMUPU-RBBKRZOGSA-N 1 2 484.645 4.302 20 0 JIADLO Cc1cccc(CCCn2c([C@@H]3CCC(=O)N3)nnc2N(C)Cc2ccc(F)c(C(F)(F)F)c2)[nH+]1 ZINC001492526141 1066414046 /nfs/dbraw/zinc/41/40/46/1066414046.db2.gz OCXHFEXPFWUZCK-FQEVSTJZSA-N 1 2 490.505 4.360 20 0 JIADLO Cc1cccc(CCCn2c(-c3cccnc3)nnc2N2CCC[C@@H](CNC(=O)C(C)(C)C)C2)[nH+]1 ZINC001492526382 1066414965 /nfs/dbraw/zinc/41/49/65/1066414965.db2.gz WJOINNCKSFVKRI-NRFANRHFSA-N 1 2 475.641 4.055 20 0 JIADLO Cc1cccc(CCCn2c(COc3ccc(C(C)(C)C)cc3)nnc2N2CCN(C)C(=O)[C@H]2C)[nH+]1 ZINC001492526546 1066416515 /nfs/dbraw/zinc/41/65/15/1066416515.db2.gz CCTVFPBUVCNUSG-OAQYLSRUSA-N 1 2 490.652 4.158 20 0 JIADLO Cc1cccc(CCCn2c(COc3ccc(C)c(C)c3)nnc2N2CCN(C(=O)C(C)C)CC2)[nH+]1 ZINC001492526817 1066417856 /nfs/dbraw/zinc/41/78/56/1066417856.db2.gz MPIFASLHAQOKSH-UHFFFAOYSA-N 1 2 490.652 4.115 20 0 JIADLO C[C@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)Nc2ccc3nc(C[NH+]4CCCCC4)[nH]c3c2)cc1 ZINC001338429391 1066554866 /nfs/dbraw/zinc/55/48/66/1066554866.db2.gz JPXSZKHFYDSKJN-IBGZPJMESA-N 1 2 495.649 4.364 20 0 JIADLO CCOC(=O)c1c2c(sc1NC(=O)[C@H](C)Sc1nnc(C)o1)C[N@@H+](Cc1ccccc1)CC2 ZINC001317689452 1066630499 /nfs/dbraw/zinc/63/04/99/1066630499.db2.gz KKIQSSNTIXCOEC-AWEZNQCLSA-N 1 2 486.619 4.294 20 0 JIADLO CCOC(=O)c1c2c(sc1NC(=O)[C@H](C)Sc1nnc(C)o1)C[N@H+](Cc1ccccc1)CC2 ZINC001317689452 1066630505 /nfs/dbraw/zinc/63/05/05/1066630505.db2.gz KKIQSSNTIXCOEC-AWEZNQCLSA-N 1 2 486.619 4.294 20 0 JIADLO O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)O[C@@H](Cn1cc[nH+]c1)c1ccc(Cl)cc1Cl ZINC001344788860 1066636384 /nfs/dbraw/zinc/63/63/84/1066636384.db2.gz WVOQYGRLSMGQFK-JPLJXNOCSA-N 1 2 483.421 4.200 20 0 JIADLO Cc1ccc(C)c(S(=O)(=O)NCCC(=O)O[C@H](Cn2cc[nH+]c2)c2ccc(Cl)cc2Cl)c1 ZINC001344834279 1066637371 /nfs/dbraw/zinc/63/73/71/1066637371.db2.gz HYWFKXPFKQXBKM-HXUWFJFHSA-N 1 2 496.416 4.460 20 0 JIADLO O=C(C[NH+]1CCC(NC(=O)c2csc(Cc3ccc(Cl)cc3)n2)CC1)Nc1ccccc1 ZINC001317820880 1066708751 /nfs/dbraw/zinc/70/87/51/1066708751.db2.gz OSPJQIJCMYVABH-UHFFFAOYSA-N 1 2 469.010 4.220 20 0 JIADLO Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)C2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)C1 ZINC001348013229 1066712835 /nfs/dbraw/zinc/71/28/35/1066712835.db2.gz BYEQVOMGCDBXSI-HNNXBMFYSA-N 1 2 469.939 4.185 20 0 JIADLO O=C(NCc1cc[nH+]c(N2CCN(c3ccc(F)cc3)CC2)c1)N1CC[C@H]2CCCC[C@@H]2C1 ZINC001317868455 1066744140 /nfs/dbraw/zinc/74/41/40/1066744140.db2.gz SATYIONEONZVDP-FGZHOGPDSA-N 1 2 451.590 4.269 20 0 JIADLO O=C(NCc1cc[nH+]c(N2CCN(c3ccc(F)cc3)CC2)c1)N1CC[C@H]2CCCC[C@H]2C1 ZINC001317868459 1066744217 /nfs/dbraw/zinc/74/42/17/1066744217.db2.gz SATYIONEONZVDP-YADHBBJMSA-N 1 2 451.590 4.269 20 0 JIADLO O=C(O[C@H](Cn1cc[nH+]c1)c1ccc(Cl)cc1Cl)[C@H]1CCCN(C(=O)N2CCCC2)C1 ZINC001348693937 1066770964 /nfs/dbraw/zinc/77/09/64/1066770964.db2.gz YOWIAWVTGVAQGN-OXJNMPFZSA-N 1 2 465.381 4.402 20 0 JIADLO Cc1ccc(C[N@@H+]2CCCN(C(=O)c3cccc(CS(=O)(=O)c4ccccc4)c3)CC2)cc1 ZINC001317906945 1066777273 /nfs/dbraw/zinc/77/72/73/1066777273.db2.gz BYYZMJVNOFFRJE-UHFFFAOYSA-N 1 2 462.615 4.317 20 0 JIADLO Cc1ccc(C[N@H+]2CCCN(C(=O)c3cccc(CS(=O)(=O)c4ccccc4)c3)CC2)cc1 ZINC001317906945 1066777284 /nfs/dbraw/zinc/77/72/84/1066777284.db2.gz BYYZMJVNOFFRJE-UHFFFAOYSA-N 1 2 462.615 4.317 20 0 JIADLO CC(C)(C)OC(=O)Nc1ccc(C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)c(Cl)c1 ZINC001349103149 1066808470 /nfs/dbraw/zinc/80/84/70/1066808470.db2.gz VCPOHNJGTFBKIU-LJQANCHMSA-N 1 2 459.974 4.318 20 0 JIADLO CC(C)(C)OC(=O)Nc1ccc(C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)c(Cl)c1 ZINC001349103149 1066808476 /nfs/dbraw/zinc/80/84/76/1066808476.db2.gz VCPOHNJGTFBKIU-LJQANCHMSA-N 1 2 459.974 4.318 20 0 JIADLO Cc1ccc(NC(=O)[C@@H](C)n2cc[nH+]c2)cc1NC(=O)c1ccccc1I ZINC001317999083 1066841857 /nfs/dbraw/zinc/84/18/57/1066841857.db2.gz SNIQXRCJWKVBCO-CQSZACIVSA-N 1 2 474.302 4.248 20 0 JIADLO CCOC(=O)c1sc2nc(C[NH+](C)C)nc(N3CCC[C@H](c4nc5ccccc5[nH]4)C3)c2c1C ZINC001318002745 1066845267 /nfs/dbraw/zinc/84/52/67/1066845267.db2.gz ZALIAYQUTLUPKP-INIZCTEOSA-N 1 2 478.622 4.498 20 0 JIADLO O=C(C[NH+]1CCC([C@H]2C(=O)Nc3ccccc32)CC1)N1N=C(c2cccs2)C[C@H]1c1ccco1 ZINC001318172495 1066938499 /nfs/dbraw/zinc/93/84/99/1066938499.db2.gz AKFAOXVFTHPJFK-SQJMNOBHSA-N 1 2 474.586 4.467 20 0 JIADLO O=C(C[NH+]1CCC([C@@H]2C(=O)Nc3ccccc32)CC1)N1N=C(c2cccs2)C[C@H]1c1ccco1 ZINC001318172493 1066938635 /nfs/dbraw/zinc/93/86/35/1066938635.db2.gz AKFAOXVFTHPJFK-OFVILXPXSA-N 1 2 474.586 4.467 20 0 JIADLO CC[NH+](CC)Cc1csc(NC(=O)c2ccc3c(c2)C(=O)N(CCc2ccccc2)C3=O)n1 ZINC001350430809 1066957868 /nfs/dbraw/zinc/95/78/68/1066957868.db2.gz BMNRHKAGTQJMPS-UHFFFAOYSA-N 1 2 462.575 4.076 20 0 JIADLO O=C(CCN1C(=S)N=NC1c1cccs1)Nc1ccc2nc(C[NH+]3CCCCC3)[nH]c2c1 ZINC001318210555 1066960377 /nfs/dbraw/zinc/96/03/77/1066960377.db2.gz BENGREPREKIMLX-UHFFFAOYSA-N 1 2 467.624 4.186 20 0 JIADLO O=C(Nc1ccc2nc(C[NH+]3CCCCC3)[nH]c2c1)[C@H]1CCCN(C(=O)Nc2ccccc2)C1 ZINC001318261492 1066989260 /nfs/dbraw/zinc/98/92/60/1066989260.db2.gz FAQCNYYAJGPOKG-IBGZPJMESA-N 1 2 460.582 4.431 20 0 JIADLO CN(CC(=O)Nc1ccc2nc(C[NH+]3CCCCC3)[nH]c2c1)C(=O)c1ccc(Br)s1 ZINC001318417906 1067040847 /nfs/dbraw/zinc/04/08/47/1067040847.db2.gz MXCDNHKOXVAZNG-UHFFFAOYSA-N 1 2 490.427 4.084 20 0 JIADLO COc1cc[nH+]cc1Cn1c(COc2ccc(Cl)cc2)nnc1N(C)CCOC(C)(C)C ZINC001300701470 1067061154 /nfs/dbraw/zinc/06/11/54/1067061154.db2.gz AICOIWMIDDJKKR-UHFFFAOYSA-N 1 2 459.978 4.214 20 0 JIADLO COc1cc[nH+]cc1Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCC(F)(F)C1 ZINC001300701497 1067061317 /nfs/dbraw/zinc/06/13/17/1067061317.db2.gz ASBMMRJKBMUMOY-UHFFFAOYSA-N 1 2 457.525 4.452 20 0 JIADLO COc1cc[nH+]cc1Cn1c(N(C)Cc2cccc(Cl)c2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001300701633 1067062427 /nfs/dbraw/zinc/06/24/27/1067062427.db2.gz DNKHRBCAPIYPSL-DEOSSOPVSA-N 1 2 471.989 4.060 20 0 JIADLO COc1cc[nH+]cc1Cn1c(N2CCC[C@H](C(=O)c3ccc(F)cc3)C2)nnc1C(C)(C)C ZINC001300702058 1067063635 /nfs/dbraw/zinc/06/36/35/1067063635.db2.gz NDIAKJFMSKZTNM-SFHVURJKSA-N 1 2 451.546 4.266 20 0 JIADLO O=C(C[NH+]1CCC(NC(=O)c2ccc(C(F)(F)C(F)(F)F)cc2)CC1)Nc1ccccc1 ZINC001354753915 1067077639 /nfs/dbraw/zinc/07/76/39/1067077639.db2.gz KWQFXCZLGOBUNI-UHFFFAOYSA-N 1 2 455.427 4.174 20 0 JIADLO O=C(NC[C@H]1C[N@H+](Cc2ccccc2)CCO1)c1cc(C(F)(F)F)ccc1Br ZINC001351355150 1067082477 /nfs/dbraw/zinc/08/24/77/1067082477.db2.gz PNCOYIVQFPORNG-INIZCTEOSA-N 1 2 457.290 4.099 20 0 JIADLO O=C(NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1)c1cc(C(F)(F)F)ccc1Br ZINC001351355150 1067082493 /nfs/dbraw/zinc/08/24/93/1067082493.db2.gz PNCOYIVQFPORNG-INIZCTEOSA-N 1 2 457.290 4.099 20 0 JIADLO CCCS(=O)(=O)Nc1cccc(NC(=O)N[C@@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)c1 ZINC001200821875 1067295378 /nfs/dbraw/zinc/29/53/78/1067295378.db2.gz LSZSRBRWDYICAZ-QFIPXVFZSA-N 1 2 455.584 4.215 20 0 JIADLO O=C(Nc1ncc(C(O)(C(F)(F)F)C(F)(F)F)s1)C1CC[NH+](Cc2ccccc2)CC1 ZINC001324143338 1067333804 /nfs/dbraw/zinc/33/38/04/1067333804.db2.gz LQGPKDFSYIFULG-UHFFFAOYSA-N 1 2 467.435 4.306 20 0 JIADLO Cc1ccccc1[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](c1ccsc1)[NH+](C)C ZINC001492553369 1067346382 /nfs/dbraw/zinc/34/63/82/1067346382.db2.gz JOOYJLPWSZWRJQ-RCZSKKKRSA-N 1 2 487.695 4.050 20 0 JIADLO COc1ccc(-c2nnc(N3C[C@H](C)CC[C@@H]3C)n2CCCNc2cccc[nH+]2)c(OC)c1 ZINC001300026442 1067398122 /nfs/dbraw/zinc/39/81/22/1067398122.db2.gz ZABWFYSRAYVCSN-MOPGFXCFSA-N 1 2 450.587 4.484 20 0 JIADLO O=C(NC1CCCCC1)c1cc(NC(=O)[C@H]2C[N@H+](Cc3ccccc3)CCO2)ccc1Cl ZINC001355280389 1067402285 /nfs/dbraw/zinc/40/22/85/1067402285.db2.gz HTYIKARNKKQVPY-HSZRJFAPSA-N 1 2 455.986 4.242 20 0 JIADLO O=C(NC1CCCCC1)c1cc(NC(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)ccc1Cl ZINC001355280389 1067402305 /nfs/dbraw/zinc/40/23/05/1067402305.db2.gz HTYIKARNKKQVPY-HSZRJFAPSA-N 1 2 455.986 4.242 20 0 JIADLO CSc1ccc(O[C@@H](C)C(=O)N2CC[NH+](Cc3ccc(OC(F)(F)F)cc3)CC2)cc1 ZINC001355324408 1067419975 /nfs/dbraw/zinc/41/99/75/1067419975.db2.gz ALZZXTSEODOFBI-INIZCTEOSA-N 1 2 454.514 4.419 20 0 JIADLO CC[NH+](CC)Cc1nc(C2(NC(=O)c3c(Cl)nc4cc(Cl)ccn43)CCCC2)no1 ZINC001355404535 1067450962 /nfs/dbraw/zinc/45/09/62/1067450962.db2.gz FIESPKBIOIXGTH-UHFFFAOYSA-N 1 2 451.358 4.065 20 0 JIADLO Cc1ccc2c(c1)O[C@@H](C)CN2C(=O)C[N@H+](CCNC(=O)OC(C)(C)C)Cc1ccccc1 ZINC001355473743 1067479583 /nfs/dbraw/zinc/47/95/83/1067479583.db2.gz RYRGSRPTGYOHSA-FQEVSTJZSA-N 1 2 453.583 4.136 20 0 JIADLO Cc1ccc2c(c1)O[C@@H](C)CN2C(=O)C[N@@H+](CCNC(=O)OC(C)(C)C)Cc1ccccc1 ZINC001355473743 1067479613 /nfs/dbraw/zinc/47/96/13/1067479613.db2.gz RYRGSRPTGYOHSA-FQEVSTJZSA-N 1 2 453.583 4.136 20 0 JIADLO O=S(=O)(c1ccc(Cl)c2ccccc21)N1CCC[C@]2(C1)COCC[N@H+](Cc1ccccn1)C2 ZINC001200106801 1067632064 /nfs/dbraw/zinc/63/20/64/1067632064.db2.gz ANNIVECCUHUIKD-VWLOTQADSA-N 1 2 486.037 4.192 20 0 JIADLO O=S(=O)(c1ccc(Cl)c2ccccc21)N1CCC[C@]2(C1)COCC[N@@H+](Cc1ccccn1)C2 ZINC001200106801 1067632066 /nfs/dbraw/zinc/63/20/66/1067632066.db2.gz ANNIVECCUHUIKD-VWLOTQADSA-N 1 2 486.037 4.192 20 0 JIADLO COc1ccc(C[C@H](C)CN(C)c2nnc(C(C)C)n2Cc2ccc(N3CCO[C@H](C)C3)[nH+]c2)cc1 ZINC001300100011 1067673686 /nfs/dbraw/zinc/67/36/86/1067673686.db2.gz QSMNUWNIYHIUNS-FCHUYYIVSA-N 1 2 492.668 4.394 20 0 JIADLO CC(=O)Nc1ccc(-c2csc(NC(=O)Cn3c(C)[nH+]c4cc(F)c(F)cc43)n2)c(F)c1 ZINC001356414953 1067746665 /nfs/dbraw/zinc/74/66/65/1067746665.db2.gz ZWESOKIFKJHWDM-UHFFFAOYSA-N 1 2 459.453 4.483 20 0 JIADLO O=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)c1ccc(Br)cc1Br ZINC001357401450 1067844471 /nfs/dbraw/zinc/84/44/71/1067844471.db2.gz YYTUHNPUQUNVHC-UHFFFAOYSA-N 1 2 453.109 4.466 20 0 JIADLO CCOc1c(Br)cc(Cl)cc1NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001357448413 1067851441 /nfs/dbraw/zinc/85/14/41/1067851441.db2.gz LTGPQNPNQOBKLC-SFHVURJKSA-N 1 2 453.764 4.341 20 0 JIADLO CCOc1c(Br)cc(Cl)cc1NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001357448413 1067851445 /nfs/dbraw/zinc/85/14/45/1067851445.db2.gz LTGPQNPNQOBKLC-SFHVURJKSA-N 1 2 453.764 4.341 20 0 JIADLO Cc1cc(I)cc(C(=O)Nc2cccc([C@H](C)[NH+]3CCOCC3)c2)c1 ZINC001353105748 1067867433 /nfs/dbraw/zinc/86/74/33/1067867433.db2.gz ICPVMOVZFVWFOO-HNNXBMFYSA-N 1 2 450.320 4.245 20 0 JIADLO Cc1ccccc1[C@@H]1CCN(C(=O)C[N@H+](CCNC(=O)OC(C)(C)C)Cc2ccccc2)C1 ZINC001357621809 1067878172 /nfs/dbraw/zinc/87/81/72/1067878172.db2.gz VUWMGTJRBCLMCD-HSZRJFAPSA-N 1 2 451.611 4.338 20 0 JIADLO Cc1ccccc1[C@@H]1CCN(C(=O)C[N@@H+](CCNC(=O)OC(C)(C)C)Cc2ccccc2)C1 ZINC001357621809 1067878173 /nfs/dbraw/zinc/87/81/73/1067878173.db2.gz VUWMGTJRBCLMCD-HSZRJFAPSA-N 1 2 451.611 4.338 20 0 JIADLO CCCOc1ccc(C(C)(C)C)cc1S(=O)(=O)N1Cc2c[nH+]cn2C[C@H](COc2cccnc2)C1 ZINC001200268520 1067911311 /nfs/dbraw/zinc/91/13/11/1067911311.db2.gz UJFINBMNUOHGKB-FQEVSTJZSA-N 1 2 498.649 4.264 20 0 JIADLO COc1ccc(C[NH+]2CCN(c3nnc(CC(C)(C)C)n3Cc3sc(C)nc3C)CC2)cc1F ZINC001300231903 1067916778 /nfs/dbraw/zinc/91/67/78/1067916778.db2.gz FCDULIGXOVOEKJ-UHFFFAOYSA-N 1 2 486.661 4.458 20 0 JIADLO CC(C)n1ncc(C(=O)Nc2ccc(-n3cc[nH+]c3)c(Cl)c2)c1I ZINC001358055904 1068005127 /nfs/dbraw/zinc/00/51/27/1068005127.db2.gz IGXAZEFYTMHRBS-UHFFFAOYSA-N 1 2 455.687 4.160 20 0 JIADLO Cc1c(C(=O)N[C@@H](c2ccc(Cl)cc2)[C@H]2C[N@H+](C)CCO2)cnn1-c1ccccc1Cl ZINC001358072688 1068010461 /nfs/dbraw/zinc/01/04/61/1068010461.db2.gz QFULJCBRCOZRPB-YADHBBJMSA-N 1 2 459.377 4.289 20 0 JIADLO Cc1c(C(=O)N[C@@H](c2ccc(Cl)cc2)[C@H]2C[N@@H+](C)CCO2)cnn1-c1ccccc1Cl ZINC001358072688 1068010478 /nfs/dbraw/zinc/01/04/78/1068010478.db2.gz QFULJCBRCOZRPB-YADHBBJMSA-N 1 2 459.377 4.289 20 0 JIADLO CN(c1nc(C(=O)N[C@@H](c2ccc(Cl)cc2)[C@H]2C[N@H+](C)CCO2)cs1)c1ccccc1 ZINC001358073759 1068010920 /nfs/dbraw/zinc/01/09/20/1068010920.db2.gz XXPSYJHPRWCYKU-RTWAWAEBSA-N 1 2 456.999 4.366 20 0 JIADLO CN(c1nc(C(=O)N[C@@H](c2ccc(Cl)cc2)[C@H]2C[N@@H+](C)CCO2)cs1)c1ccccc1 ZINC001358073759 1068010933 /nfs/dbraw/zinc/01/09/33/1068010933.db2.gz XXPSYJHPRWCYKU-RTWAWAEBSA-N 1 2 456.999 4.366 20 0 JIADLO CN(c1nc(C(=O)N[C@H](c2ccc(Cl)cc2)[C@@H]2C[N@H+](C)CCO2)cs1)c1ccccc1 ZINC001358073757 1068011016 /nfs/dbraw/zinc/01/10/16/1068011016.db2.gz XXPSYJHPRWCYKU-LEWJYISDSA-N 1 2 456.999 4.366 20 0 JIADLO CN(c1nc(C(=O)N[C@H](c2ccc(Cl)cc2)[C@@H]2C[N@@H+](C)CCO2)cs1)c1ccccc1 ZINC001358073757 1068011031 /nfs/dbraw/zinc/01/10/31/1068011031.db2.gz XXPSYJHPRWCYKU-LEWJYISDSA-N 1 2 456.999 4.366 20 0 JIADLO CO[C@H](C(=O)N(Cc1ccccc1)[C@@H](C)C[NH+]1CCOCC1)c1ccccc1C(F)(F)F ZINC001358434469 1068090624 /nfs/dbraw/zinc/09/06/24/1068090624.db2.gz RRWWBNZTQBUFTF-AVRDEDQJSA-N 1 2 450.501 4.142 20 0 JIADLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)NCCCNc3ccc(C(F)(F)F)cn3)n2)C1 ZINC000509590038 1068151420 /nfs/dbraw/zinc/15/14/20/1068151420.db2.gz CEFJPHJJHDMLMU-CQSZACIVSA-N 1 2 456.538 4.413 20 0 JIADLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)NCCCNc3ccc(C(F)(F)F)cn3)n2)C1 ZINC000509590038 1068151450 /nfs/dbraw/zinc/15/14/50/1068151450.db2.gz CEFJPHJJHDMLMU-CQSZACIVSA-N 1 2 456.538 4.413 20 0 JIADLO CC(C)CC(=O)N1CCC[N@@H+]([C@@H](C)C(=O)Nc2cccc(CSc3ccccn3)c2)CC1 ZINC001473736509 1068280289 /nfs/dbraw/zinc/28/02/89/1068280289.db2.gz GPOUKGBAGXNWSB-FQEVSTJZSA-N 1 2 454.640 4.281 20 0 JIADLO CC(C)CC(=O)N1CCC[N@H+]([C@@H](C)C(=O)Nc2cccc(CSc3ccccn3)c2)CC1 ZINC001473736509 1068280315 /nfs/dbraw/zinc/28/03/15/1068280315.db2.gz GPOUKGBAGXNWSB-FQEVSTJZSA-N 1 2 454.640 4.281 20 0 JIADLO O=C(CS[C@@H](c1ccccc1)c1ccc(Cl)cc1)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000521312073 1068332036 /nfs/dbraw/zinc/33/20/36/1068332036.db2.gz QLZAEIXCBCKJLB-DEOSSOPVSA-N 1 2 471.026 4.330 20 0 JIADLO Cc1nc(NCc2cccc(C(=O)Nc3ccc(Cl)c(CN4CCOCC4)c3)c2)cc[nH+]1 ZINC000622577267 1068364612 /nfs/dbraw/zinc/36/46/12/1068364612.db2.gz GQESIIFELWCNCC-UHFFFAOYSA-N 1 2 451.958 4.135 20 0 JIADLO Cc1nc(NCc2cccc(C(=O)N3CCCC[C@H]3c3nnc(CC(F)(F)F)o3)c2)cc[nH+]1 ZINC000622600497 1068366696 /nfs/dbraw/zinc/36/66/96/1068366696.db2.gz ZXJXVMLUZRKFKN-KRWDZBQOSA-N 1 2 460.460 4.252 20 0 JIADLO COc1cccc(-c2nnc(N3CCc4c(cc[nH+]c4N(C)C)C3)n2CCCCSC)c1 ZINC001300373921 1068437425 /nfs/dbraw/zinc/43/74/25/1068437425.db2.gz DJOYHVZIFSCGND-UHFFFAOYSA-N 1 2 452.628 4.121 20 0 JIADLO CCCOc1ccc(-c2nc(C(=O)NC[C@H]3C[N@H+](Cc4ccccc4)CCO3)cs2)cc1 ZINC001353708751 1068492652 /nfs/dbraw/zinc/49/26/52/1068492652.db2.gz VMLYWNCATBZEDJ-QFIPXVFZSA-N 1 2 451.592 4.230 20 0 JIADLO CCCOc1ccc(-c2nc(C(=O)NC[C@H]3C[N@@H+](Cc4ccccc4)CCO3)cs2)cc1 ZINC001353708751 1068492660 /nfs/dbraw/zinc/49/26/60/1068492660.db2.gz VMLYWNCATBZEDJ-QFIPXVFZSA-N 1 2 451.592 4.230 20 0 JIADLO COc1cccc(-c2nnc(N3CCN(c4cc(C)[nH+]c(C(C)C)n4)CC3)n2C[C@@H](C)SC)c1 ZINC001300389289 1068500729 /nfs/dbraw/zinc/50/07/29/1068500729.db2.gz PSZXFIYVJKNPQS-LJQANCHMSA-N 1 2 481.670 4.254 20 0 JIADLO Cc1cccc(NC(=O)CN(C[C@@H]2CCCO2)C(=O)[C@H](c2ccc(Cl)cc2)[NH+](C)C)c1C ZINC001353719965 1068508199 /nfs/dbraw/zinc/50/81/99/1068508199.db2.gz LNGQCSSZDLDCKG-URXFXBBRSA-N 1 2 458.002 4.206 20 0 JIADLO Fc1ccc([C@@H]([NH2+]Cc2cnc3cnccn23)c2ccccc2I)cc1 ZINC001200439613 1068555106 /nfs/dbraw/zinc/55/51/06/1068555106.db2.gz SMFTWBBYSDFLIK-HXUWFJFHSA-N 1 2 458.278 4.352 20 0 JIADLO C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)c1cc(S(C)(=O)=O)c(Cl)cc1Cl ZINC001353846854 1068657989 /nfs/dbraw/zinc/65/79/89/1068657989.db2.gz YMCZQQAQJQNMLI-OAHLLOKOSA-N 1 2 455.407 4.134 20 0 JIADLO C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)c1cc(S(C)(=O)=O)c(Cl)cc1Cl ZINC001353846854 1068658007 /nfs/dbraw/zinc/65/80/07/1068658007.db2.gz YMCZQQAQJQNMLI-OAHLLOKOSA-N 1 2 455.407 4.134 20 0 JIADLO O=C(NCc1ccc(Cn2cccn2)cc1)[C@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC001354021745 1068839246 /nfs/dbraw/zinc/83/92/46/1068839246.db2.gz GPCGYKKQMDBJEP-QFIPXVFZSA-N 1 2 453.384 4.147 20 0 JIADLO Cc1onc(-c2c(F)cccc2Cl)c1C(=O)N[C@@H](C)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001354156989 1068936848 /nfs/dbraw/zinc/93/68/48/1068936848.db2.gz PNFHPLOSPJISOA-YWZLYKJASA-N 1 2 457.933 4.462 20 0 JIADLO Cc1onc(-c2c(F)cccc2Cl)c1C(=O)N[C@@H](C)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001354156989 1068936858 /nfs/dbraw/zinc/93/68/58/1068936858.db2.gz PNFHPLOSPJISOA-YWZLYKJASA-N 1 2 457.933 4.462 20 0 JIADLO COc1ccccc1Cc1nnc(N(C)Cc2ncc(Cl)n2C)n1CCCc1cccc(C)[nH+]1 ZINC001300540426 1068970794 /nfs/dbraw/zinc/97/07/94/1068970794.db2.gz WCFKDOXKUXZTBQ-UHFFFAOYSA-N 1 2 480.016 4.237 20 0 JIADLO Cc1cc(Br)cn2c(CN3Cc4ccc(NC(=O)C(F)(F)F)cc4C3)c[nH+]c12 ZINC001474625887 1068978150 /nfs/dbraw/zinc/97/81/50/1068978150.db2.gz QRMGBZBUYKNQGT-UHFFFAOYSA-N 1 2 453.262 4.422 20 0 JIADLO CCOc1cc(C[N@@H+]2CC3(CCOCC3)[C@@H]2c2cnn(CC(C)C)c2)ccc1O[C@@H](C)C(=O)N(C)C ZINC000849478637 1069047893 /nfs/dbraw/zinc/04/78/93/1069047893.db2.gz KRNARECEUJOWEZ-LVXARBLLSA-N 1 2 498.668 4.147 20 0 JIADLO CCOc1cc(C[N@H+]2CC3(CCOCC3)[C@@H]2c2cnn(CC(C)C)c2)ccc1O[C@@H](C)C(=O)N(C)C ZINC000849478637 1069047915 /nfs/dbraw/zinc/04/79/15/1069047915.db2.gz KRNARECEUJOWEZ-LVXARBLLSA-N 1 2 498.668 4.147 20 0 JIADLO Cc1ccc2[nH+]c(CSCC(=O)N3CC4(CCOCC4)[C@H]3c3cnn(CC(C)C)c3)cn2c1 ZINC000849530191 1069132592 /nfs/dbraw/zinc/13/25/92/1069132592.db2.gz RICIJTFAALIPHV-XMMPIXPASA-N 1 2 467.639 4.109 20 0 JIADLO CCn1nc(C(F)(F)F)c(C(=O)NC2CC[NH+](c3ccc(N(C)C)cc3)CC2)c1C(F)F ZINC001354413870 1069199302 /nfs/dbraw/zinc/19/93/02/1069199302.db2.gz IKQFAJXRZQPWMX-UHFFFAOYSA-N 1 2 459.463 4.324 20 0 JIADLO CN(C)c1ccc([NH+]2CCC(NC(=O)c3ccccc3CNC(=O)OC(C)(C)C)CC2)cc1 ZINC001354417382 1069202367 /nfs/dbraw/zinc/20/23/67/1069202367.db2.gz NHHKHFRDSDOOHO-UHFFFAOYSA-N 1 2 452.599 4.176 20 0 JIADLO Fc1cc(F)cc(NC(=S)N2CCO[C@H](c3[nH+]cn4c3cccc4Br)C2)c1 ZINC001200663070 1069211534 /nfs/dbraw/zinc/21/15/34/1069211534.db2.gz VCYSZBUVHPGQBE-HNNXBMFYSA-N 1 2 453.312 4.145 20 0 JIADLO CC(C)c1nccc([C@@H]2C[C@@H]3CCN(c4ncnc5c4C[N@H+](Cc4ccccc4)CC5)C[C@@H]3O2)n1 ZINC001164639773 719260109 /nfs/dbraw/zinc/26/01/09/719260109.db2.gz RKLUWTZSCUWTDK-MZBJOSPHSA-N 1 2 470.621 4.305 20 0 JIADLO CC(C)c1nccc([C@@H]2C[C@@H]3CCN(c4ncnc5c4C[N@@H+](Cc4ccccc4)CC5)C[C@@H]3O2)n1 ZINC001164639773 719260110 /nfs/dbraw/zinc/26/01/10/719260110.db2.gz RKLUWTZSCUWTDK-MZBJOSPHSA-N 1 2 470.621 4.305 20 0 JIADLO CCN1CCn2c(-c3ccccc3)cnc2C12CCN(c1[nH+]c(C)cc(C)c1C(=O)OC)CC2 ZINC001164663782 719349728 /nfs/dbraw/zinc/34/97/28/719349728.db2.gz LPNNKMCVFJIWBQ-UHFFFAOYSA-N 1 2 459.594 4.180 20 0 JIADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ncccc1C(=O)OC(C)C)CC2 ZINC001164664646 719355640 /nfs/dbraw/zinc/35/56/40/719355640.db2.gz QEZDYORQLNNZLA-UHFFFAOYSA-N 1 2 459.594 4.342 20 0 JIADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ncccc1C(=O)OC(C)C)CC2 ZINC001164664646 719355643 /nfs/dbraw/zinc/35/56/43/719355643.db2.gz QEZDYORQLNNZLA-UHFFFAOYSA-N 1 2 459.594 4.342 20 0 JIADLO Fc1ccc(C[N@@H+]2CCOCC23CCN(c2nc(Cl)nc(-c4ccccc4)n2)CC3)cc1 ZINC001164672269 719503006 /nfs/dbraw/zinc/50/30/06/719503006.db2.gz IELDLDVHUBKCLK-UHFFFAOYSA-N 1 2 453.949 4.203 20 0 JIADLO Fc1ccc(C[N@H+]2CCOCC23CCN(c2nc(Cl)nc(-c4ccccc4)n2)CC3)cc1 ZINC001164672269 719503008 /nfs/dbraw/zinc/50/30/08/719503008.db2.gz IELDLDVHUBKCLK-UHFFFAOYSA-N 1 2 453.949 4.203 20 0 JIADLO COc1cccc2nc(Cl)nc(N3CCC4(CC3)COCC[N@@H+]4Cc3ccc(F)cc3)c21 ZINC001164673415 719510611 /nfs/dbraw/zinc/51/06/11/719510611.db2.gz SPTFDABENXFQLU-UHFFFAOYSA-N 1 2 456.949 4.302 20 0 JIADLO COc1cccc2nc(Cl)nc(N3CCC4(CC3)COCC[N@H+]4Cc3ccc(F)cc3)c21 ZINC001164673415 719510617 /nfs/dbraw/zinc/51/06/17/719510617.db2.gz SPTFDABENXFQLU-UHFFFAOYSA-N 1 2 456.949 4.302 20 0 JIADLO CCOC(=O)c1sc2nc(C)nc(N3CCC4(CC3)COCC[N@@H+]4Cc3ccc(F)cc3)c2c1C ZINC001164671544 719521571 /nfs/dbraw/zinc/52/15/71/719521571.db2.gz FVRVLCFDXSQGEG-UHFFFAOYSA-N 1 2 498.624 4.495 20 0 JIADLO CCOC(=O)c1sc2nc(C)nc(N3CCC4(CC3)COCC[N@H+]4Cc3ccc(F)cc3)c2c1C ZINC001164671544 719521575 /nfs/dbraw/zinc/52/15/75/719521575.db2.gz FVRVLCFDXSQGEG-UHFFFAOYSA-N 1 2 498.624 4.495 20 0 JIADLO O=C(OCc1ccccc1)c1ccc(N2CCC3(CC2)COCC[N@H+]3Cc2ccc(F)cc2)nc1 ZINC001164673379 719526597 /nfs/dbraw/zinc/52/65/97/719526597.db2.gz QTIPGJZOMPNEAV-UHFFFAOYSA-N 1 2 475.564 4.449 20 0 JIADLO O=C(OCc1ccccc1)c1ccc(N2CCC3(CC2)COCC[N@@H+]3Cc2ccc(F)cc2)nc1 ZINC001164673379 719526606 /nfs/dbraw/zinc/52/66/06/719526606.db2.gz QTIPGJZOMPNEAV-UHFFFAOYSA-N 1 2 475.564 4.449 20 0 JIADLO CC(=O)NC[C@H]1c2[nH+]cn(C(C)C)c2CCN1C(F)(F)c1cc(-c2ccc(F)cc2)nnc1Cl ZINC001164725443 720317064 /nfs/dbraw/zinc/31/70/64/720317064.db2.gz VLTDOHSYAQWGSK-FQEVSTJZSA-N 1 2 492.933 4.498 20 0 JIADLO Cc1cccc(-c2cc(C(F)(F)N3CCCn4c(=O)cc(Cn5cc[nH+]c5)nc4C3)cnc2Cl)c1 ZINC001164855198 720896428 /nfs/dbraw/zinc/89/64/28/720896428.db2.gz ARFGOCLVYHWDJC-UHFFFAOYSA-N 1 2 496.949 4.467 20 0 JIADLO O=C(c1cccnc1N1C[C@@H]2CCC[C@@H](OCC3CC3)[C@H]2C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC001164899299 721498246 /nfs/dbraw/zinc/49/82/46/721498246.db2.gz JPYVOVRRRDLRKR-DOEKTCAHSA-N 1 2 474.649 4.071 20 0 JIADLO Cc1cccc(-c2cc(C(F)(F)N3CCCn4c(C[N@@H+](C)C(C)C)nnc4C3)c(Cl)nn2)c1 ZINC001165010404 721721812 /nfs/dbraw/zinc/72/18/12/721721812.db2.gz HCHFMEHPOWFTMA-UHFFFAOYSA-N 1 2 475.975 4.492 20 0 JIADLO Cc1cccc(-c2cc(C(F)(F)N3CCCn4c(C[N@H+](C)C(C)C)nnc4C3)c(Cl)nn2)c1 ZINC001165010404 721721819 /nfs/dbraw/zinc/72/18/19/721721819.db2.gz HCHFMEHPOWFTMA-UHFFFAOYSA-N 1 2 475.975 4.492 20 0 JIADLO Clc1ccc(Cl)c2nc(N3CCO[C@@]4(C3)COCC[N@H+](Cc3cccnc3)C4)ccc12 ZINC001164914500 721799962 /nfs/dbraw/zinc/79/99/62/721799962.db2.gz OFBLDVSPJHDWDY-QHCPKHFHSA-N 1 2 459.377 4.044 20 0 JIADLO Clc1ccc(Cl)c2nc(N3CCO[C@@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)ccc12 ZINC001164914500 721799964 /nfs/dbraw/zinc/79/99/64/721799964.db2.gz OFBLDVSPJHDWDY-QHCPKHFHSA-N 1 2 459.377 4.044 20 0 JIADLO Cc1cnc2n1CC[N@@H+](C)C21CCN(C(F)(F)c2cc(-c3cccs3)nnc2Cl)CC1 ZINC001164917840 721819413 /nfs/dbraw/zinc/81/94/13/721819413.db2.gz JDKUPHZMUSCZKV-UHFFFAOYSA-N 1 2 464.973 4.349 20 0 JIADLO Cc1cnc2n1CC[N@H+](C)C21CCN(C(F)(F)c2cc(-c3cccs3)nnc2Cl)CC1 ZINC001164917840 721819415 /nfs/dbraw/zinc/81/94/15/721819415.db2.gz JDKUPHZMUSCZKV-UHFFFAOYSA-N 1 2 464.973 4.349 20 0 JIADLO Cc1ccc(Oc2nc(Cl)ncc2N2CCC3(CC2)C(=O)NCC[N@H+]3Cc2ccccc2)cc1 ZINC001164945651 721981242 /nfs/dbraw/zinc/98/12/42/721981242.db2.gz CSNDHLQTMMSEJZ-UHFFFAOYSA-N 1 2 477.996 4.202 20 0 JIADLO Cc1ccc(Oc2nc(Cl)ncc2N2CCC3(CC2)C(=O)NCC[N@@H+]3Cc2ccccc2)cc1 ZINC001164945651 721981243 /nfs/dbraw/zinc/98/12/43/721981243.db2.gz CSNDHLQTMMSEJZ-UHFFFAOYSA-N 1 2 477.996 4.202 20 0 JIADLO CC(C)c1nc2cc(NC(=O)N3CC[C@@H]([NH+]4CCN(C(=O)OC(C)(C)C)CC4)C3)ccc2o1 ZINC001200714995 1069369057 /nfs/dbraw/zinc/36/90/57/1069369057.db2.gz XCUOWYLJBWQBON-GOSISDBHSA-N 1 2 457.575 4.110 20 0 JIADLO FC(F)(F)Oc1cc(Br)ccc1NC(=S)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC001200715574 1069372256 /nfs/dbraw/zinc/37/22/56/1069372256.db2.gz GPAJJOSXSKIEBE-GFCCVEGCSA-N 1 2 461.307 4.308 20 0 JIADLO COc1ccccc1SCc1nnc(N2CC[C@H](CC(C)C)C2)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001300672144 1069408783 /nfs/dbraw/zinc/40/87/83/1069408783.db2.gz FSTXUVGGLBWCPN-LEWJYISDSA-N 1 2 473.687 4.172 20 0 JIADLO COc1ccccc1SCc1nnc(N2CC[C@H](CC(C)C)C2)n1CC[N@H+]1CCOC[C@@H]1C ZINC001300672144 1069408790 /nfs/dbraw/zinc/40/87/90/1069408790.db2.gz FSTXUVGGLBWCPN-LEWJYISDSA-N 1 2 473.687 4.172 20 0 JIADLO CC(=O)NCCN(Cc1ccc(C)s1)c1nnc(CC(C)(C)C)n1C[C@H]1CCCn2cc(C)[nH+]c21 ZINC001359464201 1069590199 /nfs/dbraw/zinc/59/01/99/1069590199.db2.gz MOXZTUVUKYIXLG-OAQYLSRUSA-N 1 2 497.713 4.462 20 0 JIADLO CC(C)C(C)(C)Cn1c(-c2ccccc2)nnc1N1CC[NH+]([C@H](C)C(=O)NC2CCCC2)CC1 ZINC001359480471 1069653105 /nfs/dbraw/zinc/65/31/05/1069653105.db2.gz YEDHBFDXRLXCMT-OAQYLSRUSA-N 1 2 466.674 4.197 20 0 JIADLO CC(C)(C)c1nnc(N2CCC(C(=O)C(F)(F)F)CC2)n1CC[N@@H+]1CCc2sccc2C1 ZINC001359502434 1069767201 /nfs/dbraw/zinc/76/72/01/1069767201.db2.gz MEWWBFHLYGYBGR-UHFFFAOYSA-N 1 2 469.577 4.043 20 0 JIADLO CC(C)(C)c1nnc(N2CCC(C(=O)C(F)(F)F)CC2)n1CC[N@H+]1CCc2sccc2C1 ZINC001359502434 1069767233 /nfs/dbraw/zinc/76/72/33/1069767233.db2.gz MEWWBFHLYGYBGR-UHFFFAOYSA-N 1 2 469.577 4.043 20 0 JIADLO CC(C)(C)Cc1nnc(N2CCO[C@@H](C(F)(F)F)C2)n1Cc1ccc(N2CCCCCC2)[nH+]c1 ZINC001359542192 1069840479 /nfs/dbraw/zinc/84/04/79/1069840479.db2.gz RUEXVHMYEUDATL-LJQANCHMSA-N 1 2 480.579 4.458 20 0 JIADLO CC(C)(Cn1c(CCOc2ccccc2)nnc1N1CCN(c2cccc[nH+]2)CC1)C(F)(F)F ZINC001359597100 1070049914 /nfs/dbraw/zinc/04/99/14/1070049914.db2.gz DNZBLWOUDBZCJT-UHFFFAOYSA-N 1 2 474.531 4.210 20 0 JIADLO CC(C)c1nnc(N2CCC[C@@H](NC(=O)C(C)(C)C)C2)n1Cc1ccc(N2CCCCCC2)[nH+]c1 ZINC001359708273 1070376875 /nfs/dbraw/zinc/37/68/75/1070376875.db2.gz LXIZUNQTVQTWRE-JOCHJYFZSA-N 1 2 481.689 4.356 20 0 JIADLO COc1ccc(F)cc1C[NH+]1CCN(c2nnc([C@H]3CCCCO3)n2CCSC(C)C)CC1 ZINC001315515680 1064463417 /nfs/dbraw/zinc/46/34/17/1064463417.db2.gz QMJKGPUZPQSVNH-JOCHJYFZSA-N 1 2 477.650 4.131 20 0 JIADLO COc1cccc([C@H](C)[NH+]2CCN(c3nnc(C(C)(C)C)n3CC[S@@](=O)C(C)(C)C)CC2)c1 ZINC001315547000 1064555442 /nfs/dbraw/zinc/55/54/42/1064555442.db2.gz ZOJMXOROSFDYQY-DUTUXMCTSA-N 1 2 475.703 4.015 20 0 JIADLO COc1cccc(-c2nnc(N(C)C[C@@H](c3cccs3)[NH+]3CCOCC3)n2CCOC(C)(C)C)c1 ZINC001315549257 1064563805 /nfs/dbraw/zinc/56/38/05/1064563805.db2.gz GSTVOPZVUFMMBG-QFIPXVFZSA-N 1 2 499.681 4.340 20 0 JIADLO COc1cccc(CCn2c(CC(C)(C)C)nnc2N2CC[NH+](Cc3cnc(C)s3)CC2)c1 ZINC001315575734 1064631346 /nfs/dbraw/zinc/63/13/46/1064631346.db2.gz PJRSAEWEUUZJIL-UHFFFAOYSA-N 1 2 468.671 4.205 20 0 JIADLO COc1ccccc1-c1nnc(N2CCC[C@H](NC(=O)C(C)(C)C)C2)n1CCCc1cccc(C)[nH+]1 ZINC001315601772 1064711183 /nfs/dbraw/zinc/71/11/83/1064711183.db2.gz ACHBVIMAMLQWHA-QFIPXVFZSA-N 1 2 490.652 4.421 20 0 JIADLO COc1ccccc1Cc1nnc(N(C)CC(C)(C)C)n1Cc1ccc(N2CCO[C@@H](C)C2)[nH+]c1 ZINC001315615312 1064741119 /nfs/dbraw/zinc/74/11/19/1064741119.db2.gz JQHXMJHLBITLCO-FQEVSTJZSA-N 1 2 478.641 4.028 20 0 JIADLO COc1cc[nH+]cc1Cn1c(-c2ccccc2C)nnc1N1CCC[C@H](OCC(F)(F)F)C1 ZINC001315668990 1064894067 /nfs/dbraw/zinc/89/40/67/1064894067.db2.gz FXKODEMCHANOAD-SFHVURJKSA-N 1 2 461.488 4.253 20 0 JIADLO COc1cc[nH+]cc1Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC(OC(C)C)CC1 ZINC001315670224 1064899191 /nfs/dbraw/zinc/89/91/91/1064899191.db2.gz TZNXTSVCPGOZNU-UHFFFAOYSA-N 1 2 471.989 4.453 20 0 JIADLO COc1cc[nH+]cc1Cn1c(CC(C)(C)C)nnc1N1CCC(C(=O)c2cccs2)CC1 ZINC001315671255 1064900185 /nfs/dbraw/zinc/90/01/85/1064900185.db2.gz FLAJZJVTAYHKED-UHFFFAOYSA-N 1 2 453.612 4.479 20 0 JIADLO COc1cc[nH+]cc1Cn1c(Cc2c(F)cccc2F)nnc1N1CCC[C@@H](C(F)(F)F)C1 ZINC001315671608 1064901261 /nfs/dbraw/zinc/90/12/61/1064901261.db2.gz IBDJGYHVBMHTPI-OAHLLOKOSA-N 1 2 467.442 4.378 20 0 JIADLO COc1cc[nH+]cc1Cn1c(CC(C)(C)C)nnc1N(C)Cc1cc2c(cc1OC(F)F)OCO2 ZINC001315673156 1064905099 /nfs/dbraw/zinc/90/50/99/1064905099.db2.gz YGBKZZBRYGJMEC-UHFFFAOYSA-N 1 2 489.523 4.285 20 0 JIADLO COc1cc[nH+]cc1Cn1c(COc2cc(C)ccc2C(C)C)nnc1N1CCC[C@@H](OC)C1 ZINC001315673078 1064905145 /nfs/dbraw/zinc/90/51/45/1064905145.db2.gz UQTKFDOTYAOQLR-OAQYLSRUSA-N 1 2 465.598 4.356 20 0 JIADLO CO[C@@H]1CN(c2nnc([C@@H](C)Oc3ccccc3F)n2CCCNc2cccc[nH+]2)CC1(C)C ZINC001315711645 1064990199 /nfs/dbraw/zinc/99/01/99/1064990199.db2.gz CWNCGWXUMXBDMS-WIYYLYMNSA-N 1 2 468.577 4.316 20 0 JIADLO COCC1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCCc2cccc(C)[nH+]2)CC1 ZINC001315905019 1065387064 /nfs/dbraw/zinc/38/70/64/1065387064.db2.gz HGSNZCQBSLDTJO-UHFFFAOYSA-N 1 2 497.043 4.061 20 0 JIADLO COCCC1(Cn2c(CC(C)C)nnc2N2CCN(c3cc(C)[nH+]c(C(C)C)n3)CC2)CCC1 ZINC001315987214 1065555901 /nfs/dbraw/zinc/55/59/01/1065555901.db2.gz LRYKGVBEBFRXLH-UHFFFAOYSA-N 1 2 469.678 4.232 20 0 JIADLO COCC[C@H]1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@@H](c2c(F)cccc2F)[NH+](C)C)C1 ZINC001316000419 1065583463 /nfs/dbraw/zinc/58/34/63/1065583463.db2.gz VWIFLTQSSRYFOW-UZLBHIALSA-N 1 2 490.986 4.437 20 0 JIADLO COCCN(c1nnc(-c2cccc(OC)c2)n1Cc1ccc(N(C)C)[nH+]c1)[C@@H]1CC[C@@H](C)C1 ZINC001316080022 1065725125 /nfs/dbraw/zinc/72/51/25/1065725125.db2.gz NKEHRVOUOHQJKN-DENIHFKCSA-N 1 2 464.614 4.104 20 0 JIADLO COCCN(Cc1ccc(C)o1)c1nnc(-c2ccccc2C)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001316091142 1065748447 /nfs/dbraw/zinc/74/84/47/1065748447.db2.gz AFUHHGQCPBQXFO-UHFFFAOYSA-N 1 2 460.582 4.317 20 0 JIADLO COCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC001316107008 1065775793 /nfs/dbraw/zinc/77/57/93/1065775793.db2.gz WFIMORQHOLZBAI-UHFFFAOYSA-N 1 2 477.657 4.437 20 0 JIADLO COCCO[C@H](C)c1nnc(N2CCC[C@@H](C(F)(F)F)C2)n1Cc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC001316190706 1065880534 /nfs/dbraw/zinc/88/05/34/1065880534.db2.gz RXBBGNBGOCFOFX-SJLPKXTDSA-N 1 2 496.509 4.154 20 0 JIADLO CS[C@H](Cn1c(-c2ccc[nH]2)nnc1N1CC[NH+](Cc2cnc(C)s2)CC1)C(C)(C)C ZINC001316395235 1066171452 /nfs/dbraw/zinc/17/14/52/1066171452.db2.gz FYQWEOAILLYIKZ-LJQANCHMSA-N 1 2 459.689 4.138 20 0 JIADLO O=C(NCc1ccccc1OCC[NH+]1CCOCC1)Nc1ccc(SC(F)(F)F)cc1 ZINC001324578840 1066223828 /nfs/dbraw/zinc/22/38/28/1066223828.db2.gz QZSWQMZLSOQZHO-UHFFFAOYSA-N 1 2 455.502 4.331 20 0 JIADLO C[C@]1(c2ccc(Br)cc2)CC(=O)N(C[NH+]2CCC(c3nc4ccccc4o3)CC2)C1=O ZINC001325758447 1066268685 /nfs/dbraw/zinc/26/86/85/1066268685.db2.gz QVJIWLCRGZYPMJ-XMMPIXPASA-N 1 2 482.378 4.444 20 0 JIADLO CSC[C@@H]1CCCN1c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@@H](C)[NH+]1CCOCC1 ZINC001316434629 1066282888 /nfs/dbraw/zinc/28/28/88/1066282888.db2.gz OZUOKNSNUDANIA-HBFSDRIKSA-N 1 2 480.078 4.124 20 0 JIADLO CSCCCN(C)c1nnc(-c2ccc(C)o2)n1C[C@H](c1cccs1)[NH+]1CCOCC1 ZINC001316466431 1066369317 /nfs/dbraw/zinc/36/93/17/1066369317.db2.gz RPPZZOQSECHJQF-GOSISDBHSA-N 1 2 461.657 4.171 20 0 JIADLO CC[NH+](CC)Cc1csc(NC(=O)c2csc(S(=O)(=O)N3CCc4ccccc4C3)c2)n1 ZINC001333816060 1066390989 /nfs/dbraw/zinc/39/09/89/1066390989.db2.gz HJEFZGVVILYITM-UHFFFAOYSA-N 1 2 490.676 4.046 20 0 JIADLO Cc1cccc(CCCn2c(C(=O)NC(C)C)nnc2N(C)Cc2csc(Br)c2)[nH+]1 ZINC001492524940 1066399225 /nfs/dbraw/zinc/39/92/25/1066399225.db2.gz CMKBRPVVNINDJD-UHFFFAOYSA-N 1 2 491.459 4.213 20 0 JIADLO Cc1cccc(CCCn2c(-c3cccc(Cl)c3)nnc2N2CCCC[C@H](S(C)(=O)=O)C2)[nH+]1 ZINC001492525210 1066403593 /nfs/dbraw/zinc/40/35/93/1066403593.db2.gz MFLOUZBMGZUCMU-QFIPXVFZSA-N 1 2 488.057 4.338 20 0 JIADLO Cc1cccc(CCCn2c(-c3ccc(Cl)cc3Cl)nnc2N2CC(=O)N(C)C[C@@H]2C)[nH+]1 ZINC001492525479 1066405807 /nfs/dbraw/zinc/40/58/07/1066405807.db2.gz BUFCGZFKRIFVED-INIZCTEOSA-N 1 2 473.408 4.255 20 0 JIADLO Cc1cccc(CCCn2c(C(C)C)nnc2N2CCC(NC(=O)c3ccccc3C)CC2)[nH+]1 ZINC001492525672 1066406518 /nfs/dbraw/zinc/40/65/18/1066406518.db2.gz VNEVIIYSXXYRFW-UHFFFAOYSA-N 1 2 460.626 4.445 20 0 JIADLO Cc1cccc(CCCn2c(-c3cc(F)ccc3Br)nnc2N2CCC(CO)CC2)[nH+]1 ZINC001492525708 1066406579 /nfs/dbraw/zinc/40/65/79/1066406579.db2.gz WJVDJNCIIUQIPL-UHFFFAOYSA-N 1 2 488.405 4.392 20 0 JIADLO Cc1cccc(CCCn2c(C(=O)NC(C)C)nnc2N2CCc3cc(Br)ccc3C2)[nH+]1 ZINC001492525921 1066409284 /nfs/dbraw/zinc/40/92/84/1066409284.db2.gz ZOQZBTPSCHWQJY-UHFFFAOYSA-N 1 2 497.441 4.078 20 0 JIADLO Cc1cccc(CCCn2c(-c3ccc(Cl)cc3)nnc2N(C)CCNC(=O)C(C)C)[nH+]1 ZINC001492526267 1066413789 /nfs/dbraw/zinc/41/37/89/1066413789.db2.gz SBGWWMJLACZULR-UHFFFAOYSA-N 1 2 455.006 4.143 20 0 JIADLO Cc1cccc(CCCn2c(-c3cnn(C)c3)nnc2N(C)Cc2ccc(OC(F)F)cc2)[nH+]1 ZINC001492526303 1066415371 /nfs/dbraw/zinc/41/53/71/1066415371.db2.gz UJUUCHVEDUVCFH-UHFFFAOYSA-N 1 2 467.524 4.253 20 0 JIADLO Cc1cccc(CCCn2c([C@H]3COCCN3C(=O)OC(C)(C)C)nnc2N2CCC(C)CC2)[nH+]1 ZINC001492526923 1066419063 /nfs/dbraw/zinc/41/90/63/1066419063.db2.gz QACNGAYUPAPIII-JOCHJYFZSA-N 1 2 484.645 4.159 20 0 JIADLO Cc1cccc(CCCn2c(COc3ccc(Cl)cc3)nnc2N(C)Cc2ccon2)[nH+]1 ZINC001492527366 1066421255 /nfs/dbraw/zinc/42/12/55/1066421255.db2.gz ZPRZOPONRUTGHY-UHFFFAOYSA-N 1 2 452.946 4.471 20 0 JIADLO CC(C)(C)c1ccc([C@]2(C)NC(=O)N(C[NH+]3CCC([C@H]4c5ccccc5NC4=O)CC3)C2=O)cc1 ZINC001338310054 1066545476 /nfs/dbraw/zinc/54/54/76/1066545476.db2.gz IRHNQOSLEYUYMU-FIPFOOKPSA-N 1 2 474.605 4.157 20 0 JIADLO COc1cc(CCC(=O)Nc2ccc3nc(C[NH+]4CCCCC4)[nH]c3c2)cc(OC)c1OC ZINC001338431761 1066554951 /nfs/dbraw/zinc/55/49/51/1066554951.db2.gz SEGQNJGJBNRPIE-UHFFFAOYSA-N 1 2 452.555 4.146 20 0 JIADLO Cc1cccc([C@H](Cn2c(CC(C)C)nnc2N2CCO[C@@H](C(C)(C)C)C2)[NH+]2CCOCC2)c1 ZINC001492481323 1066627360 /nfs/dbraw/zinc/62/73/60/1066627360.db2.gz VYBMHBAXAXXIBS-BJKOFHAPSA-N 1 2 469.674 4.110 20 0 JIADLO O=C(CCN1C(=O)COc2ccccc21)O[C@@H](Cn1cc[nH+]c1)c1ccc(Cl)cc1Cl ZINC001346311950 1066659477 /nfs/dbraw/zinc/65/94/77/1066659477.db2.gz JAYJEFFKLVKQGK-FQEVSTJZSA-N 1 2 460.317 4.290 20 0 JIADLO O=C([C@@H]1CCN(CC(F)(F)F)C1)N1CC[NH+](Cc2ccc(-c3ccccc3F)s2)CC1 ZINC001348922052 1066790636 /nfs/dbraw/zinc/79/06/36/1066790636.db2.gz OITFZNGGJQJYPZ-MRXNPFEDSA-N 1 2 455.521 4.083 20 0 JIADLO Cc1oc(-c2cccc(C(F)(F)F)c2)nc1C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001349100838 1066807493 /nfs/dbraw/zinc/80/74/93/1066807493.db2.gz BONPXSLASHKFEN-HXUWFJFHSA-N 1 2 459.468 4.300 20 0 JIADLO Cc1oc(-c2cccc(C(F)(F)F)c2)nc1C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001349100838 1066807501 /nfs/dbraw/zinc/80/75/01/1066807501.db2.gz BONPXSLASHKFEN-HXUWFJFHSA-N 1 2 459.468 4.300 20 0 JIADLO O=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1)c1cc2sc(Br)cc2s1 ZINC001349101774 1066808050 /nfs/dbraw/zinc/80/80/50/1066808050.db2.gz JTQTZLYXFFTNGH-CQSZACIVSA-N 1 2 451.411 4.356 20 0 JIADLO O=C(NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)c1cc2sc(Br)cc2s1 ZINC001349101774 1066808055 /nfs/dbraw/zinc/80/80/55/1066808055.db2.gz JTQTZLYXFFTNGH-CQSZACIVSA-N 1 2 451.411 4.356 20 0 JIADLO CC(C)Oc1ccc(-c2nc(C(=O)NC[C@@H]3C[N@H+](Cc4ccccc4)CCO3)cs2)cc1 ZINC001349103150 1066808437 /nfs/dbraw/zinc/80/84/37/1066808437.db2.gz VCQDWDUYAOLFPC-JOCHJYFZSA-N 1 2 451.592 4.228 20 0 JIADLO CC(C)Oc1ccc(-c2nc(C(=O)NC[C@@H]3C[N@@H+](Cc4ccccc4)CCO3)cs2)cc1 ZINC001349103150 1066808442 /nfs/dbraw/zinc/80/84/42/1066808442.db2.gz VCQDWDUYAOLFPC-JOCHJYFZSA-N 1 2 451.592 4.228 20 0 JIADLO Cc1ccc(C[N@@H+]2CCCN(C(=O)CCCCCn3c(=O)c4ccccc4[nH]c3=S)CC2)cc1 ZINC001318039393 1066865207 /nfs/dbraw/zinc/86/52/07/1066865207.db2.gz SATNUUCONLMGOX-UHFFFAOYSA-N 1 2 478.662 4.289 20 0 JIADLO Cc1ccc(C[N@H+]2CCCN(C(=O)CCCCCn3c(=O)c4ccccc4[nH]c3=S)CC2)cc1 ZINC001318039393 1066865212 /nfs/dbraw/zinc/86/52/12/1066865212.db2.gz SATNUUCONLMGOX-UHFFFAOYSA-N 1 2 478.662 4.289 20 0 JIADLO O=C(c1ccc(O[C@H]2CC2(F)F)cc1)N1CC[NH+](Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC001349904524 1066894119 /nfs/dbraw/zinc/89/41/19/1066894119.db2.gz IIXHCTWFUXXHLJ-IBGZPJMESA-N 1 2 456.411 4.330 20 0 JIADLO O=C(Nc1ccc2nc(C[NH+]3CCCCC3)[nH]c2c1)C1CCN(C(=O)Nc2ccccc2)CC1 ZINC001318229693 1066973542 /nfs/dbraw/zinc/97/35/42/1066973542.db2.gz KPRCNEACCIPZFF-UHFFFAOYSA-N 1 2 460.582 4.431 20 0 JIADLO Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)[C@@H](c1ccc(Cl)cc1)[NH+](C)C ZINC001350695276 1066990000 /nfs/dbraw/zinc/99/00/00/1066990000.db2.gz MPIPVGKYSQMNTQ-LJQANCHMSA-N 1 2 452.780 4.111 20 0 JIADLO Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)C(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001350762720 1066998459 /nfs/dbraw/zinc/99/84/59/1066998459.db2.gz NZKDKCSXZJRRKP-OWCLPIDISA-N 1 2 452.521 4.414 20 0 JIADLO Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)C(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001350762720 1066998474 /nfs/dbraw/zinc/99/84/74/1066998474.db2.gz NZKDKCSXZJRRKP-OWCLPIDISA-N 1 2 452.521 4.414 20 0 JIADLO O=C(C[NH+]1CCC([C@@H]2C(=O)Nc3ccccc32)CC1)N1N=C(c2ccco2)C[C@@H]1c1cccs1 ZINC001318338244 1067022790 /nfs/dbraw/zinc/02/27/90/1067022790.db2.gz OHOYZNWKNZYWML-BWKNWUBXSA-N 1 2 474.586 4.467 20 0 JIADLO Cc1c(C(=O)Nc2ccc3nc(C[NH+]4CCCCC4)[nH]c3c2)nnn1-c1ccc(OC(C)C)cc1 ZINC001318345371 1067026047 /nfs/dbraw/zinc/02/60/47/1067026047.db2.gz YDIZTZCYECSVTQ-UHFFFAOYSA-N 1 2 473.581 4.477 20 0 JIADLO CC(C)(C)NS(=O)(=O)c1cc(C(=O)Nc2ccc3nc(C[NH+]4CCCCC4)[nH]c3c2)ccc1F ZINC001318417391 1067040455 /nfs/dbraw/zinc/04/04/55/1067040455.db2.gz HOPSGMCHZIKNNL-UHFFFAOYSA-N 1 2 487.601 4.017 20 0 JIADLO COc1cc[nH+]cc1Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1C[C@@H](C)O[C@@H](C)C1 ZINC001300693286 1067044020 /nfs/dbraw/zinc/04/40/20/1067044020.db2.gz DHAFKMWDQVIPTI-IXDOHACOSA-N 1 2 457.962 4.137 20 0 JIADLO COc1cc[nH+]cc1Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N(C)CC1CCOCC1 ZINC001300693496 1067045070 /nfs/dbraw/zinc/04/50/70/1067045070.db2.gz SNARHHGUCAGFIE-UHFFFAOYSA-N 1 2 481.597 4.056 20 0 JIADLO COc1cc[nH+]cc1Cn1c(-c2cc(F)ccc2Br)nnc1N1CCC[C@](C)(OC)C1 ZINC001300693689 1067046073 /nfs/dbraw/zinc/04/60/73/1067046073.db2.gz KFCGHEQKZRIHTJ-QFIPXVFZSA-N 1 2 490.377 4.304 20 0 JIADLO COc1cc[nH+]cc1Cn1c(-c2ccc(Cl)cc2F)nnc1N(C)C1CCC(NC(C)=O)CC1 ZINC001300694153 1067047878 /nfs/dbraw/zinc/04/78/78/1067047878.db2.gz OHKAPDGYMLDIJP-UHFFFAOYSA-N 1 2 486.979 4.073 20 0 JIADLO COc1cc[nH+]cc1Cn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@@H](CNC(=O)C(C)(C)C)C1 ZINC001300694392 1067048433 /nfs/dbraw/zinc/04/84/33/1067048433.db2.gz RQVOPMCBPHCZSU-SFHVURJKSA-N 1 2 497.043 4.429 20 0 JIADLO COc1cc[nH+]cc1Cn1c(CC(C)C)nnc1N1CCO[C@@H](c2ccc(F)c(Cl)c2)C1 ZINC001300696727 1067054321 /nfs/dbraw/zinc/05/43/21/1067054321.db2.gz HNZSNLSBCGBUFY-OAQYLSRUSA-N 1 2 459.953 4.299 20 0 JIADLO COc1cc[nH+]cc1Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@@H](C)[C@@H]1C ZINC001300696698 1067054356 /nfs/dbraw/zinc/05/43/56/1067054356.db2.gz GVWBDTHYLAUSNA-CEXWTWQISA-N 1 2 470.618 4.079 20 0 JIADLO COc1cc[nH+]cc1Cn1c(CC(C)C)nnc1N(C)[C@H](C)c1cccc(N2CCOC2=O)c1 ZINC001300697775 1067055564 /nfs/dbraw/zinc/05/55/64/1067055564.db2.gz SRHXATGCDGDUFK-GOSISDBHSA-N 1 2 464.570 4.083 20 0 JIADLO COc1cc[nH+]cc1Cn1c(N(C)Cc2ccc(Cl)c(F)c2)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001300702035 1067063204 /nfs/dbraw/zinc/06/32/04/1067063204.db2.gz MFMVPJYNFXYODV-XMMPIXPASA-N 1 2 489.979 4.200 20 0 JIADLO COc1cc[nH+]cc1Cn1c(COc2ccc(C)cc2)nnc1N1CCO[C@](C)(C(C)(C)C)C1 ZINC001300702077 1067063549 /nfs/dbraw/zinc/06/35/49/1067063549.db2.gz NNBGLRWBVNMWKF-SANMLTNESA-N 1 2 465.598 4.259 20 0 JIADLO CC(=O)NCCCc1ccc(-c2csc(NC(=O)c3cccc(Cn4cc[nH+]c4)c3)n2)cc1 ZINC001351277830 1067070252 /nfs/dbraw/zinc/07/02/52/1067070252.db2.gz HLCUQQDLACVXSD-UHFFFAOYSA-N 1 2 459.575 4.376 20 0 JIADLO Cc1cc(NC(=O)[C@@H](C)n2cc[nH+]c2)ccc1NC(=O)c1ccccc1I ZINC001320179431 1067087305 /nfs/dbraw/zinc/08/73/05/1067087305.db2.gz NEJKJKLGMKXMCM-CQSZACIVSA-N 1 2 474.302 4.248 20 0 JIADLO O=C(Nc1cccc(C[NH+]2CCOCC2)c1)c1ccc(Br)c(OC(F)(F)F)c1 ZINC001351697653 1067172062 /nfs/dbraw/zinc/17/20/62/1067172062.db2.gz WODMNQBSJZGBNJ-UHFFFAOYSA-N 1 2 459.262 4.432 20 0 JIADLO O=C(Nc1ncc(C(O)(C(F)(F)F)C(F)(F)F)s1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001321959336 1067232546 /nfs/dbraw/zinc/23/25/46/1067232546.db2.gz CHAAEWXZPVAQCC-ZDUSSCGKSA-N 1 2 467.435 4.306 20 0 JIADLO O=C(Nc1ncc(C(O)(C(F)(F)F)C(F)(F)F)s1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001321959336 1067232566 /nfs/dbraw/zinc/23/25/66/1067232566.db2.gz CHAAEWXZPVAQCC-ZDUSSCGKSA-N 1 2 467.435 4.306 20 0 JIADLO CN(Cc1ccn(-c2ccccc2)n1)C(=O)[C@H](c1cccc(Br)c1)[NH+]1CCCC1 ZINC001352017069 1067269288 /nfs/dbraw/zinc/26/92/88/1067269288.db2.gz FZTIZGNDUFGPLY-QFIPXVFZSA-N 1 2 453.384 4.430 20 0 JIADLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)N3CCC([C@H]4C(=O)Nc5ccccc54)CC3)n2)C1 ZINC001322346768 1067278681 /nfs/dbraw/zinc/27/86/81/1067278681.db2.gz MZFSCFPYXISRCM-HRAATJIYSA-N 1 2 453.612 4.355 20 0 JIADLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)N3CCC([C@H]4C(=O)Nc5ccccc54)CC3)n2)C1 ZINC001322346768 1067278688 /nfs/dbraw/zinc/27/86/88/1067278688.db2.gz MZFSCFPYXISRCM-HRAATJIYSA-N 1 2 453.612 4.355 20 0 JIADLO Cc1nc(C[N@@H+]2CCOC[C@@]3(CCCN(C(=S)Nc4ccccc4Cl)C3)C2)cs1 ZINC001200859118 1067367672 /nfs/dbraw/zinc/36/76/72/1067367672.db2.gz OELYXUNQLXGMIS-NRFANRHFSA-N 1 2 451.061 4.416 20 0 JIADLO Cc1nc(C[N@H+]2CCOC[C@@]3(CCCN(C(=S)Nc4ccccc4Cl)C3)C2)cs1 ZINC001200859118 1067367685 /nfs/dbraw/zinc/36/76/85/1067367685.db2.gz OELYXUNQLXGMIS-NRFANRHFSA-N 1 2 451.061 4.416 20 0 JIADLO O=C(Cc1coc2c1ccc(F)c2F)N1CC[NH+](Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC001355324484 1067419643 /nfs/dbraw/zinc/41/96/43/1067419643.db2.gz CZITUPGKMPVMRM-UHFFFAOYSA-N 1 2 454.395 4.497 20 0 JIADLO COc1ccc(-c2nnc(N3CC[C@H](C)[C@@H]3C)n2Cc2ccc(N(C)C)[nH+]c2)cc1Br ZINC001300035771 1067442815 /nfs/dbraw/zinc/44/28/15/1067442815.db2.gz DKKBRHVXPPCGCU-HOTGVXAUSA-N 1 2 485.430 4.460 20 0 JIADLO CC(C)(C)OC(=O)N1CC[C@@H]2CCCC[C@@H]2[C@@H]1C(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC001355479803 1067482715 /nfs/dbraw/zinc/48/27/15/1067482715.db2.gz JSBGZXIAONKAPR-RJGXRXQPSA-N 1 2 452.599 4.363 20 0 JIADLO CC(C)(C)c1ccc(CSCC(=O)NC2CC[NH+](CC(=O)Nc3ccccc3)CC2)cc1 ZINC001352544997 1067503894 /nfs/dbraw/zinc/50/38/94/1067503894.db2.gz AMTWUYGBWSLIEY-UHFFFAOYSA-N 1 2 453.652 4.437 20 0 JIADLO O=C(C[NH+]1CCC(NC(=O)c2cc3ccccc3cc2OC(F)F)CC1)Nc1ccccc1 ZINC001352546085 1067504428 /nfs/dbraw/zinc/50/44/28/1067504428.db2.gz OYCWCVTWGJXPMG-UHFFFAOYSA-N 1 2 453.489 4.274 20 0 JIADLO Cc1c2cc(Br)ccc2oc(=O)c1C(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC001355555059 1067510500 /nfs/dbraw/zinc/51/05/00/1067510500.db2.gz RPQOOAHWAOFCHZ-UHFFFAOYSA-N 1 2 456.271 4.119 20 0 JIADLO C[C@H]1C[NH+](Cc2ccccc2NC(=O)c2ccc(OCC(=O)OC(C)(C)C)cc2)C[C@H](C)O1 ZINC001355707946 1067557794 /nfs/dbraw/zinc/55/77/94/1067557794.db2.gz LJWDIZTVTWMNSU-OALUTQOASA-N 1 2 454.567 4.269 20 0 JIADLO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)c2ccc(NC(=O)Cc3cccnc3)cc2)C[C@H](C)O1 ZINC001355719944 1067562176 /nfs/dbraw/zinc/56/21/76/1067562176.db2.gz CAFLREFSBIYXQH-BGYRXZFFSA-N 1 2 458.562 4.124 20 0 JIADLO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)c2ccc(NC(=O)Cc3cccnc3)cc2)C[C@H](C)O1 ZINC001355719944 1067562186 /nfs/dbraw/zinc/56/21/86/1067562186.db2.gz CAFLREFSBIYXQH-BGYRXZFFSA-N 1 2 458.562 4.124 20 0 JIADLO COc1ccc(CCNC(=S)NC[C@@H](c2ccc(Cl)cc2Cl)[NH+](C)C)cc1OC ZINC001200086818 1067579146 /nfs/dbraw/zinc/57/91/46/1067579146.db2.gz AQXCRNZXHRHATN-SFHVURJKSA-N 1 2 456.439 4.320 20 0 JIADLO COc1ccc(CCNC(=S)NCc2c[nH+]cn2Cc2ccc(C(F)(F)F)cc2)cc1OC ZINC001200088851 1067585400 /nfs/dbraw/zinc/58/54/00/1067585400.db2.gz MJNOYPYOGXQOOP-UHFFFAOYSA-N 1 2 478.540 4.174 20 0 JIADLO COc1ccc(CCNC(=S)NC2CC[NH+](Cc3ccc(Cl)cc3F)CC2)cc1OC ZINC001200091309 1067591000 /nfs/dbraw/zinc/59/10/00/1067591000.db2.gz KWDNKKGQDAGUGF-UHFFFAOYSA-N 1 2 466.022 4.168 20 0 JIADLO CN(C)c1ccc(N(Cc2ccc[nH]2)C(=O)c2cccc(NC(=O)CCn3cc[nH+]c3)c2)cc1 ZINC001356438807 1067752321 /nfs/dbraw/zinc/75/23/21/1067752321.db2.gz OEXHYFFBVMJQOV-UHFFFAOYSA-N 1 2 456.550 4.153 20 0 JIADLO Cc1ccc(NC(=S)N2Cc3c[nH+]cn3C[C@H](COc3ccccn3)C2)c(Br)c1 ZINC001200148750 1067763066 /nfs/dbraw/zinc/76/30/66/1067763066.db2.gz MXIICWZNLONBAJ-MRXNPFEDSA-N 1 2 472.412 4.257 20 0 JIADLO O=C(CCOc1ccc(Cl)cc1Br)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC001352913533 1067799277 /nfs/dbraw/zinc/79/92/77/1067799277.db2.gz GXHXARNJJVYCCK-UHFFFAOYSA-N 1 2 453.764 4.342 20 0 JIADLO C[C@H](c1ccc(F)cc1F)N1CCN(C(=O)Nc2ccccc2OCCn2cc[nH+]c2)CC1 ZINC001200175534 1067809850 /nfs/dbraw/zinc/80/98/50/1067809850.db2.gz VYVIAMNUPVKPKD-GOSISDBHSA-N 1 2 455.509 4.151 20 0 JIADLO Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)[C@@H]2CC(=O)N(c3ccc(Cl)c(F)c3)C2)c(C)c1 ZINC001357329718 1067835048 /nfs/dbraw/zinc/83/50/48/1067835048.db2.gz GGCSOJDCPKQSGL-VGSWGCGISA-N 1 2 454.933 4.203 20 0 JIADLO COc1ccc(-c2noc(CCCC(=O)N[C@H](Cn3cc[nH+]c3)c3ccc(C)cc3C)n2)cc1 ZINC001357329232 1067835070 /nfs/dbraw/zinc/83/50/70/1067835070.db2.gz BSBHBDCCYZRROW-HSZRJFAPSA-N 1 2 459.550 4.439 20 0 JIADLO COc1ccc(-c2noc(CCCC(=O)N[C@@H](Cn3cc[nH+]c3)c3ccc(C)cc3C)n2)cc1 ZINC001357329233 1067835164 /nfs/dbraw/zinc/83/51/64/1067835164.db2.gz BSBHBDCCYZRROW-QHCPKHFHSA-N 1 2 459.550 4.439 20 0 JIADLO CCOC(=O)c1sc2nc(C[NH+](C)C)nc(Sc3nnc(NCC(F)(F)F)s3)c2c1C ZINC000489176414 1067838467 /nfs/dbraw/zinc/83/84/67/1067838467.db2.gz NQMXTOAJYOSEAM-UHFFFAOYSA-N 1 2 492.574 4.215 20 0 JIADLO CC(C)c1nc(C(=O)Nc2ccccc2C[NH+]2C[C@H](C)O[C@@H](C)C2)nn1-c1ccccc1F ZINC001357519374 1067863526 /nfs/dbraw/zinc/86/35/26/1067863526.db2.gz QLNLIHNGGCTSHF-ROUUACIJSA-N 1 2 451.546 4.391 20 0 JIADLO Cc1ccccc1[C@H]1CCN(C(=O)C[N@H+](CCNC(=O)OC(C)(C)C)Cc2ccccc2)C1 ZINC001357621813 1067878349 /nfs/dbraw/zinc/87/83/49/1067878349.db2.gz VUWMGTJRBCLMCD-QHCPKHFHSA-N 1 2 451.611 4.338 20 0 JIADLO Cc1ccccc1[C@H]1CCN(C(=O)C[N@@H+](CCNC(=O)OC(C)(C)C)Cc2ccccc2)C1 ZINC001357621813 1067878350 /nfs/dbraw/zinc/87/83/50/1067878350.db2.gz VUWMGTJRBCLMCD-QHCPKHFHSA-N 1 2 451.611 4.338 20 0 JIADLO COc1ccc(Cn2c(N(C)C[C@H](c3cccs3)[NH+]3CCOCC3)nnc2C(C)(C)C)cc1F ZINC001300223610 1067895015 /nfs/dbraw/zinc/89/50/15/1067895015.db2.gz HDHZJSPCMCJFFE-HXUWFJFHSA-N 1 2 487.645 4.343 20 0 JIADLO CCN(Cc1cccc(NC(=O)Cn2c(C)[nH+]c3cc(F)c(F)cc32)c1)C(=O)C(F)(F)F ZINC001353204291 1067898945 /nfs/dbraw/zinc/89/89/45/1067898945.db2.gz VKWBBBDNBHKMQA-UHFFFAOYSA-N 1 2 454.399 4.172 20 0 JIADLO CCCOc1ccc(C(C)(C)C)cc1S(=O)(=O)N1CCC2(CC1)c1[nH+]cc(C)n1CCN2CC ZINC001200265442 1067899203 /nfs/dbraw/zinc/89/92/03/1067899203.db2.gz AVFDZWATCJDYLP-UHFFFAOYSA-N 1 2 488.698 4.293 20 0 JIADLO COc1ccc(Cl)cc1CN(C)c1nnc(CC(C)C)n1Cc1ccc(N2CCO[C@@H](C)C2)[nH+]c1 ZINC001300237785 1067934890 /nfs/dbraw/zinc/93/48/90/1067934890.db2.gz ONNHZMZQHQWJJE-IBGZPJMESA-N 1 2 499.059 4.443 20 0 JIADLO COc1ccc(F)cc1C[NH+]1CCN(c2nnc(C3CCCC3)n2CC[C@H](OC)C(F)(F)F)CC1 ZINC001300244955 1067964295 /nfs/dbraw/zinc/96/42/95/1067964295.db2.gz DBWMHJDNWYRQQO-NRFANRHFSA-N 1 2 499.553 4.373 20 0 JIADLO COc1ccc(O[C@@H](C)Cn2c(CC(C)(C)C)nnc2N2CCc3c(cc[nH+]c3N(C)C)C2)cc1 ZINC001300248734 1067988116 /nfs/dbraw/zinc/98/81/16/1067988116.db2.gz GDYFCINYIKOQAA-IBGZPJMESA-N 1 2 478.641 4.367 20 0 JIADLO O=C(CCOc1cccc(I)c1)Nc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC001358067770 1068007067 /nfs/dbraw/zinc/00/70/67/1068007067.db2.gz YYBRVAMVWLZZRT-UHFFFAOYSA-N 1 2 451.239 4.024 20 0 JIADLO CCCc1noc2nc(CC)cc(C(=O)N[C@H](c3ccc(Cl)cc3)[C@H]3C[N@H+](C)CCO3)c12 ZINC001358071293 1068007288 /nfs/dbraw/zinc/00/72/88/1068007288.db2.gz CIZQPENAMDHMJV-IFMALSPDSA-N 1 2 456.974 4.193 20 0 JIADLO CCCc1noc2nc(CC)cc(C(=O)N[C@H](c3ccc(Cl)cc3)[C@H]3C[N@@H+](C)CCO3)c12 ZINC001358071293 1068007304 /nfs/dbraw/zinc/00/73/04/1068007304.db2.gz CIZQPENAMDHMJV-IFMALSPDSA-N 1 2 456.974 4.193 20 0 JIADLO C[C@H](Oc1ccccc1C(F)(F)F)C(=O)N[C@@H](c1ccc(Cl)cc1)[C@H]1C[N@H+](C)CCO1 ZINC001358071578 1068008570 /nfs/dbraw/zinc/00/85/70/1068008570.db2.gz HMEDIOTURPIHMP-KPOBHBOGSA-N 1 2 456.892 4.314 20 0 JIADLO C[C@H](Oc1ccccc1C(F)(F)F)C(=O)N[C@@H](c1ccc(Cl)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC001358071578 1068008591 /nfs/dbraw/zinc/00/85/91/1068008591.db2.gz HMEDIOTURPIHMP-KPOBHBOGSA-N 1 2 456.892 4.314 20 0 JIADLO O=C(Cc1csc(-c2ccoc2)n1)N1CC[NH+](Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC001358124569 1068026300 /nfs/dbraw/zinc/02/63/00/1068026300.db2.gz QBAZTQMRVKFEBR-UHFFFAOYSA-N 1 2 451.470 4.189 20 0 JIADLO CC[C@H](C)[C@@H](NC(=O)c1cccc(Cn2cc[nH+]c2)c1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC001358441021 1068092243 /nfs/dbraw/zinc/09/22/43/1068092243.db2.gz JBWXTTRUGXQPQP-NBGIEHNGSA-N 1 2 459.594 4.315 20 0 JIADLO O=C(CCn1cc[nH+]c1)Nc1cccc(C(=O)Nc2ccc(OCCc3ccccc3)nc2)c1 ZINC001353412262 1068095704 /nfs/dbraw/zinc/09/57/04/1068095704.db2.gz SICKMCMBECPZCT-UHFFFAOYSA-N 1 2 455.518 4.181 20 0 JIADLO Cc1cc(C)n2nc(NC(=O)N3CC[NH+](Cc4ccc(-c5ccccc5Cl)s4)CC3)nc2n1 ZINC000508053771 1068128084 /nfs/dbraw/zinc/12/80/84/1068128084.db2.gz LFAYTGGKJGABQO-UHFFFAOYSA-N 1 2 482.013 4.473 20 0 JIADLO O=C(CCn1cc[nH+]c1)Nc1cccc(C(=O)Nc2cc(-c3ccc(Br)s3)[nH]n2)c1 ZINC000513732074 1068248725 /nfs/dbraw/zinc/24/87/25/1068248725.db2.gz ARWBBRGXXITDEN-UHFFFAOYSA-N 1 2 485.367 4.378 20 0 JIADLO COCCn1ccc(NC(=O)N2CC[NH+](Cc3ccc(-c4ccccc4Cl)s3)CC2)n1 ZINC000513932428 1068250993 /nfs/dbraw/zinc/25/09/93/1068250993.db2.gz WBORKRQTUXTTCF-UHFFFAOYSA-N 1 2 460.003 4.261 20 0 JIADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)[C@@H](Sc1ccccc1Cl)c1ccccc1 ZINC000518729824 1068311051 /nfs/dbraw/zinc/31/10/51/1068311051.db2.gz BCBASMLFMIRPEH-QFIPXVFZSA-N 1 2 456.999 4.341 20 0 JIADLO Cc1nc(NCc2cccc(C(=O)N3C[C@@H](CC(=O)N(C)C)c4cc(Cl)ccc43)c2)cc[nH+]1 ZINC000622389654 1068361443 /nfs/dbraw/zinc/36/14/43/1068361443.db2.gz WRNGZUDFPGSYRV-LJQANCHMSA-N 1 2 463.969 4.273 20 0 JIADLO Cc1nc(NCc2cccc(C(=O)N[C@H]3CCN(c4ccc(Cl)c(Cl)c4)C3=O)c2)cc[nH+]1 ZINC000622491995 1068362486 /nfs/dbraw/zinc/36/24/86/1068362486.db2.gz KQKIUBISRVUPGD-FQEVSTJZSA-N 1 2 470.360 4.239 20 0 JIADLO COc1cccc(-c2nnc(N3CCN(c4cc(C)[nH+]c(C(C)C)n4)CC3)n2CCCOC(C)C)c1 ZINC001300390166 1068503695 /nfs/dbraw/zinc/50/36/95/1068503695.db2.gz YWQGQKPNGMWLMX-UHFFFAOYSA-N 1 2 493.656 4.317 20 0 JIADLO COc1cccc(-c2nnc(N3CCO[C@@](C)(C(C)(C)C)C3)n2Cc2ccc(N(C)C)[nH+]c2)c1 ZINC001300394067 1068521568 /nfs/dbraw/zinc/52/15/68/1068521568.db2.gz DFIAPLZBBAZCJV-AREMUKBSSA-N 1 2 464.614 4.104 20 0 JIADLO CSc1ccc([C@@H](CNC(=O)CCc2cn(C)nc2C)[N@@H+]2CCc3sccc3C2)cc1 ZINC001353919891 1068753160 /nfs/dbraw/zinc/75/31/60/1068753160.db2.gz SXHZBDQDZPJICB-JOCHJYFZSA-N 1 2 454.665 4.360 20 0 JIADLO CSc1ccc([C@@H](CNC(=O)CCc2cn(C)nc2C)[N@H+]2CCc3sccc3C2)cc1 ZINC001353919891 1068753178 /nfs/dbraw/zinc/75/31/78/1068753178.db2.gz SXHZBDQDZPJICB-JOCHJYFZSA-N 1 2 454.665 4.360 20 0 JIADLO COc1ccccc1-c1nnc(N(C)CCCSC)n1Cc1ccc(N2CCCC2)[nH+]c1 ZINC001300475815 1068824410 /nfs/dbraw/zinc/82/44/10/1068824410.db2.gz VZDUINXNUINSTJ-UHFFFAOYSA-N 1 2 452.628 4.187 20 0 JIADLO CC[C@H](c1nnc(NC(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)s1)c1ccccc1 ZINC000504036974 1068974097 /nfs/dbraw/zinc/97/40/97/1068974097.db2.gz NSUVCHVUIUECKD-RTWAWAEBSA-N 1 2 451.596 4.103 20 0 JIADLO CC[C@H](c1nnc(NC(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)s1)c1ccccc1 ZINC000504036974 1068974110 /nfs/dbraw/zinc/97/41/10/1068974110.db2.gz NSUVCHVUIUECKD-RTWAWAEBSA-N 1 2 451.596 4.103 20 0 JIADLO COc1ccc(C)cc1C[NH+]1CCN(C(=O)Nc2ccc(OC3CCOCC3)c(C)c2)CC1 ZINC001200690356 1069292680 /nfs/dbraw/zinc/29/26/80/1069292680.db2.gz GWZZHKMUSVKCDP-UHFFFAOYSA-N 1 2 453.583 4.220 20 0 JIADLO CCOC(=O)c1sc2nc(C[NH+]3CCCCC3)nc(N3C[C@@H]4CC(F)(F)[C@@H]4C3)c2c1C ZINC001164411244 718870802 /nfs/dbraw/zinc/87/08/02/718870802.db2.gz OMQJQAOJYZXLAN-LSDHHAIUSA-N 1 2 450.555 4.254 20 0 JIADLO CCOC(=O)c1cnc(Cl)nc1N1CCC2(CC1)c1ncc(-c3ccccc3)n1CC[N@H+]2CC ZINC001164663148 719345771 /nfs/dbraw/zinc/34/57/71/719345771.db2.gz FEVXWEDLWJYYTO-UHFFFAOYSA-N 1 2 481.000 4.001 20 0 JIADLO CCOC(=O)c1cnc(Cl)nc1N1CCC2(CC1)c1ncc(-c3ccccc3)n1CC[N@@H+]2CC ZINC001164663148 719345774 /nfs/dbraw/zinc/34/57/74/719345774.db2.gz FEVXWEDLWJYYTO-UHFFFAOYSA-N 1 2 481.000 4.001 20 0 JIADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nc(Cl)nc3cccnc31)CC2 ZINC001164664582 719347500 /nfs/dbraw/zinc/34/75/00/719347500.db2.gz ZKSNETRCPSOISZ-UHFFFAOYSA-N 1 2 459.985 4.373 20 0 JIADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nc(Cl)nc3cccnc31)CC2 ZINC001164664582 719347501 /nfs/dbraw/zinc/34/75/01/719347501.db2.gz ZKSNETRCPSOISZ-UHFFFAOYSA-N 1 2 459.985 4.373 20 0 JIADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nc(OC)nc(-c3ccccc3)n1)CC2 ZINC001164658108 719351559 /nfs/dbraw/zinc/35/15/59/719351559.db2.gz DMUUGOGKXRJKCF-UHFFFAOYSA-N 1 2 481.604 4.242 20 0 JIADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nc(OC)nc(-c3ccccc3)n1)CC2 ZINC001164658108 719351562 /nfs/dbraw/zinc/35/15/62/719351562.db2.gz DMUUGOGKXRJKCF-UHFFFAOYSA-N 1 2 481.604 4.242 20 0 JIADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nc(C(N)=O)cc3ccccc31)CC2 ZINC001164659961 719354840 /nfs/dbraw/zinc/35/48/40/719354840.db2.gz SXIRXBPFNFUVCZ-UHFFFAOYSA-N 1 2 466.589 4.028 20 0 JIADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nc(C(N)=O)cc3ccccc31)CC2 ZINC001164659961 719354842 /nfs/dbraw/zinc/35/48/42/719354842.db2.gz SXIRXBPFNFUVCZ-UHFFFAOYSA-N 1 2 466.589 4.028 20 0 JIADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ncnc(Cl)c1[C@H](C)C(=O)OC)CC2 ZINC001164664639 719355935 /nfs/dbraw/zinc/35/59/35/719355935.db2.gz QBMBOBPQEXFHPP-SFHVURJKSA-N 1 2 495.027 4.101 20 0 JIADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ncnc(Cl)c1[C@H](C)C(=O)OC)CC2 ZINC001164664639 719355939 /nfs/dbraw/zinc/35/59/39/719355939.db2.gz QBMBOBPQEXFHPP-SFHVURJKSA-N 1 2 495.027 4.101 20 0 JIADLO NC(=O)c1ccc(-c2c[nH+]c3n2CCC32CCN(C(F)(F)Oc3cccnc3Cl)CC2)cc1 ZINC001164695459 719830054 /nfs/dbraw/zinc/83/00/54/719830054.db2.gz CXNRZRCKKSIISV-UHFFFAOYSA-N 1 2 473.911 4.064 20 0 JIADLO NC(=O)c1ccc(-c2c[nH+]c3n2CCC32CCN(C(F)(F)c3nc(Cl)cc(Cl)n3)CC2)cc1 ZINC001164695810 719830084 /nfs/dbraw/zinc/83/00/84/719830084.db2.gz FTEMZEQJOLHMFA-UHFFFAOYSA-N 1 2 493.345 4.233 20 0 JIADLO NC(=O)c1ccc(-c2c[nH+]c3n2CCC32CCN(C(F)(F)c3cc(Cl)nc(Cl)n3)CC2)cc1 ZINC001164699531 719830117 /nfs/dbraw/zinc/83/01/17/719830117.db2.gz WYWNCXAVCAZJHU-UHFFFAOYSA-N 1 2 493.345 4.233 20 0 JIADLO Cc1ccc(Cl)nc1C(F)(F)N1CCC2(CCn3c(-c4ccc(C(N)=O)cc4)c[nH+]c32)CC1 ZINC001164698137 719830175 /nfs/dbraw/zinc/83/01/75/719830175.db2.gz RVJUTRBYOIHHHX-UHFFFAOYSA-N 1 2 471.939 4.493 20 0 JIADLO CC(=O)NC[C@H]1c2[nH+]cn(C(C)C)c2CCN1C(F)(F)c1cc(-c2cccc(F)c2)nnc1Cl ZINC001164724554 720317247 /nfs/dbraw/zinc/31/72/47/720317247.db2.gz RAKGQSUBUGDMDN-FQEVSTJZSA-N 1 2 492.933 4.498 20 0 JIADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4cc(Cl)nc5c(F)cccc45)CC3)C2=O)cs1 ZINC001164822251 720384162 /nfs/dbraw/zinc/38/41/62/720384162.db2.gz KXZZKPUSPLEPPO-UHFFFAOYSA-N 1 2 474.005 4.105 20 0 JIADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4cc(Cl)nc5c(F)cccc45)CC3)C2=O)cs1 ZINC001164822251 720384174 /nfs/dbraw/zinc/38/41/74/720384174.db2.gz KXZZKPUSPLEPPO-UHFFFAOYSA-N 1 2 474.005 4.105 20 0 JIADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1cc(-c3ccccc3)c3ccccc3n1)C2 ZINC001164828702 720469750 /nfs/dbraw/zinc/46/97/50/720469750.db2.gz AAMOSLOBPOVLBX-QHCPKHFHSA-N 1 2 483.616 4.088 20 0 JIADLO FC(F)(c1nc2ccsc2c(Cl)n1)N1CCC2(CC1)CN(c1cccc[nH+]1)CCO2 ZINC001164875976 721218281 /nfs/dbraw/zinc/21/82/81/721218281.db2.gz YTSZIBPSWAQALB-UHFFFAOYSA-N 1 2 451.930 4.160 20 0 JIADLO COc1ccc2nc(C(F)(F)N3CCC4(CC3)CN(c3cccc[nH+]3)CCO4)nc(Cl)c2c1 ZINC001164872937 721219306 /nfs/dbraw/zinc/21/93/06/721219306.db2.gz PELVTNSTJPJSCW-UHFFFAOYSA-N 1 2 475.927 4.108 20 0 JIADLO FC(F)(Oc1cc(Cl)nc(Cl)c1)N1Cc2c[nH+]cn2C[C@H](COc2cccnc2)C1 ZINC001164770008 721277196 /nfs/dbraw/zinc/27/71/96/721277196.db2.gz ROGBJXSLBXSQFA-ZDUSSCGKSA-N 1 2 456.280 4.120 20 0 JIADLO O=C(c1cccnc1N1C[C@@H]2CCC[C@H](OCC3CC3)[C@H]2C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC001164899310 721498183 /nfs/dbraw/zinc/49/81/83/721498183.db2.gz JPYVOVRRRDLRKR-URORMMCBSA-N 1 2 474.649 4.071 20 0 JIADLO O=C(c1cccnc1N1C[C@@H]2CCC[C@@H](OCC3CC3)[C@@H]2C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC001164899313 721498351 /nfs/dbraw/zinc/49/83/51/721498351.db2.gz JPYVOVRRRDLRKR-WYMJOSIYSA-N 1 2 474.649 4.071 20 0 JIADLO c1ccc(-c2ncc(N3CCO[C@@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)nc2-c2ccccc2)cc1 ZINC001164916658 721781046 /nfs/dbraw/zinc/78/10/46/721781046.db2.gz RWDVXPYFENDFQH-PMERELPUSA-N 1 2 493.611 4.313 20 0 JIADLO c1ccc(-c2ncc(N3CCO[C@@]4(C3)COCC[N@H+](Cc3cccnc3)C4)nc2-c2ccccc2)cc1 ZINC001164916658 721781052 /nfs/dbraw/zinc/78/10/52/721781052.db2.gz RWDVXPYFENDFQH-PMERELPUSA-N 1 2 493.611 4.313 20 0 JIADLO Cc1cnc2n1CC[N@@H+](C)C21CCN(C(F)(F)c2ccc(-c3cc(Cl)ncn3)cc2)CC1 ZINC001164917326 721814033 /nfs/dbraw/zinc/81/40/33/721814033.db2.gz LHFQZJBQEAABOQ-UHFFFAOYSA-N 1 2 458.944 4.288 20 0 JIADLO Cc1cnc2n1CC[N@H+](C)C21CCN(C(F)(F)c2ccc(-c3cc(Cl)ncn3)cc2)CC1 ZINC001164917326 721814035 /nfs/dbraw/zinc/81/40/35/721814035.db2.gz LHFQZJBQEAABOQ-UHFFFAOYSA-N 1 2 458.944 4.288 20 0 JIADLO Cc1cnc2n1CC[N@@H+](C)C21CCN(C(F)(F)c2ccc3nc(Cl)nc(Cl)c3c2)CC1 ZINC001164916861 721814513 /nfs/dbraw/zinc/81/45/13/721814513.db2.gz JQEIUOAXPBYSAV-UHFFFAOYSA-N 1 2 467.351 4.428 20 0 JIADLO Cc1cnc2n1CC[N@H+](C)C21CCN(C(F)(F)c2ccc3nc(Cl)nc(Cl)c3c2)CC1 ZINC001164916861 721814515 /nfs/dbraw/zinc/81/45/15/721814515.db2.gz JQEIUOAXPBYSAV-UHFFFAOYSA-N 1 2 467.351 4.428 20 0 JIADLO Cc1c[nH+]c2n1CCN(C)C21CCN(c2nc(-c3cccnc3)nc3sc(C)c(C)c32)CC1 ZINC001164918267 721819354 /nfs/dbraw/zinc/81/93/54/721819354.db2.gz LKBSESFATJJEMR-UHFFFAOYSA-N 1 2 459.623 4.316 20 0 JIADLO c1ccc(C[N@@H+]2CCc3ncnc(N4CC[C@]5(C4)COCc4cnc(-c6ccccc6)nc45)c3C2)cc1 ZINC001164929860 721898277 /nfs/dbraw/zinc/89/82/77/721898277.db2.gz XHDQYOHBRJNVRI-PMERELPUSA-N 1 2 490.611 4.170 20 0 JIADLO c1ccc(C[N@H+]2CCc3ncnc(N4CC[C@]5(C4)COCc4cnc(-c6ccccc6)nc45)c3C2)cc1 ZINC001164929860 721898278 /nfs/dbraw/zinc/89/82/78/721898278.db2.gz XHDQYOHBRJNVRI-PMERELPUSA-N 1 2 490.611 4.170 20 0 JIADLO FC(F)(c1nc2cc(Cl)c(Cl)cc2nc1Cl)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC001165039228 721911950 /nfs/dbraw/zinc/91/19/50/721911950.db2.gz RQRJDQZNWMWIOI-NSHDSACASA-N 1 2 451.732 4.436 20 0 JIADLO Cc1cccc(COC[C@]23CCCO[C@@H]2CCN(c2ncnc4c2C[N@H+](Cc2ccccc2)CC4)C3)n1 ZINC001164958028 722026092 /nfs/dbraw/zinc/02/60/92/722026092.db2.gz DKQNHROJCQAZJV-PQHLKRTFSA-N 1 2 499.659 4.331 20 0 JIADLO Cc1cccc(COC[C@]23CCCO[C@@H]2CCN(c2ncnc4c2C[N@@H+](Cc2ccccc2)CC4)C3)n1 ZINC001164958028 722026096 /nfs/dbraw/zinc/02/60/96/722026096.db2.gz DKQNHROJCQAZJV-PQHLKRTFSA-N 1 2 499.659 4.331 20 0 JIADLO O=C(c1ccc(NC(=S)Nc2ccc(F)c(F)c2)cc1)N1CCN(c2cccc[nH+]2)CC1 ZINC001200699008 1069318457 /nfs/dbraw/zinc/31/84/57/1069318457.db2.gz JZRPFWQBPXFANS-UHFFFAOYSA-N 1 2 453.518 4.131 20 0 JIADLO COc1ccccc1SCc1nnc(N2CCC(F)(F)CC2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001300677428 1069431247 /nfs/dbraw/zinc/43/12/47/1069431247.db2.gz XDNVZOHTAOUFCQ-UHFFFAOYSA-N 1 2 474.581 4.324 20 0 JIADLO COc1ccccc1SCc1nnc(N2CCCC2(C)C)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001300680606 1069444496 /nfs/dbraw/zinc/44/44/96/1069444496.db2.gz XPLQLROWBXVFRB-UHFFFAOYSA-N 1 2 452.628 4.467 20 0 JIADLO CC(C)(Cn1c(Cc2ccccc2F)nnc1N1CCN(c2cccc[nH+]2)CC1)C(F)(F)F ZINC001359596627 1070049008 /nfs/dbraw/zinc/04/90/08/1070049008.db2.gz PAFJKBFASBQBHF-UHFFFAOYSA-N 1 2 462.495 4.318 20 0 JIADLO CC(C)C(=O)N[C@H]1CCCN(c2nnc(C(C)(C)C)n2Cc2ccc(N3CCCCCC3)[nH+]c2)C1 ZINC001359618960 1070088751 /nfs/dbraw/zinc/08/87/51/1070088751.db2.gz FXECPXWLJWDMGQ-QFIPXVFZSA-N 1 2 481.689 4.140 20 0 JIADLO CC(C)c1nnc(N2CC[C@@H](CNC(=O)OC(C)(C)C)C2)n1C[C@@H](c1c(F)cccc1F)[NH+](C)C ZINC001359697057 1070356937 /nfs/dbraw/zinc/35/69/37/1070356937.db2.gz GPWPLADLFUKSGT-PXNSSMCTSA-N 1 2 492.615 4.334 20 0 JIADLO COc1ccc(F)cc1C[NH+]1CCN(c2nnc(Cc3ccccn3)n2CC(C)(C)C(C)C)CC1 ZINC001315515473 1064462288 /nfs/dbraw/zinc/46/22/88/1064462288.db2.gz NNWDFNJPWJGVBU-UHFFFAOYSA-N 1 2 480.632 4.416 20 0 JIADLO COc1cccc(-c2nnc(N3CCN(c4cc(C)[nH+]c(C(C)C)n4)CC3)n2CCCSC)c1 ZINC001315564328 1064594108 /nfs/dbraw/zinc/59/41/08/1064594108.db2.gz SUKSZNHDHOKTKW-UHFFFAOYSA-N 1 2 481.670 4.255 20 0 JIADLO COc1ccccc1-c1nnc(N2CCc3c(cc[nH+]c3N(C)C)C2)n1CCCOCC(C)C ZINC001315602502 1064712391 /nfs/dbraw/zinc/71/23/91/1064712391.db2.gz ZPOFMJJVOVNOSK-UHFFFAOYSA-N 1 2 464.614 4.040 20 0 JIADLO COc1ccccc1Cc1nnc(N(C)CC(C)(C)C)n1Cc1ccc(N2CCO[C@H](C)C2)[nH+]c1 ZINC001315615313 1064741226 /nfs/dbraw/zinc/74/12/26/1064741226.db2.gz JQHXMJHLBITLCO-HXUWFJFHSA-N 1 2 478.641 4.028 20 0 JIADLO COc1ccccc1SCc1nnc(N2C[C@H](C)CC[C@@H]2C)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001315662521 1064865911 /nfs/dbraw/zinc/86/59/11/1064865911.db2.gz QVLRXERJJLKXKI-UXHICEINSA-N 1 2 473.687 4.315 20 0 JIADLO COc1ccccc1SCc1nnc(N2C[C@H](C)CC[C@@H]2C)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001315662521 1064865912 /nfs/dbraw/zinc/86/59/12/1064865912.db2.gz QVLRXERJJLKXKI-UXHICEINSA-N 1 2 473.687 4.315 20 0 JIADLO COc1cc[nH+]cc1Cn1c(-c2ccccc2)nnc1N1CCC[C@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC001315669020 1064894785 /nfs/dbraw/zinc/89/47/85/1064894785.db2.gz GOVPFEPXTTVFAV-HXUWFJFHSA-N 1 2 492.624 4.480 20 0 JIADLO COc1cc[nH+]cc1Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCSC(C)(C)C1 ZINC001315669612 1064897561 /nfs/dbraw/zinc/89/75/61/1064897561.db2.gz NYHUIXKNDPREJT-UHFFFAOYSA-N 1 2 460.003 4.391 20 0 JIADLO COc1cc[nH+]cc1Cn1c(-c2ccc(OCCC(C)C)cc2)nnc1N1CC[C@@H](OC)C1 ZINC001315669858 1064898111 /nfs/dbraw/zinc/89/81/11/1064898111.db2.gz PDBDNHSIQHVEBQ-JOCHJYFZSA-N 1 2 451.571 4.047 20 0 JIADLO COc1cc[nH+]cc1Cn1c(-c2ccccc2Br)nnc1N(C)C[C@H]1CCCOC1 ZINC001315670417 1064899165 /nfs/dbraw/zinc/89/91/65/1064899165.db2.gz XYFAONPPSPTYBW-MRXNPFEDSA-N 1 2 472.387 4.022 20 0 JIADLO COc1cc[nH+]cc1Cn1c([C@H]2CCCOC2)nnc1N(C)Cc1ccc(F)c(C(F)(F)F)c1 ZINC001315671204 1064900368 /nfs/dbraw/zinc/90/03/68/1064900368.db2.gz DXAFIERFVJIKIC-INIZCTEOSA-N 1 2 479.478 4.418 20 0 JIADLO COc1cc[nH+]cc1Cn1c(N2CCN([C@H](C)c3ccc(F)cc3F)CC2)nnc1C(C)(C)C ZINC001315671700 1064901443 /nfs/dbraw/zinc/90/14/43/1064901443.db2.gz FMWMLRIEHIEIHW-QGZVFWFLSA-N 1 2 470.568 4.189 20 0 JIADLO COc1cc[nH+]cc1Cn1c(CCCOc2ccc(Cl)cc2C)nnc1N1C[C@@H](C)O[C@H](C)C1 ZINC001315671385 1064901543 /nfs/dbraw/zinc/90/15/43/1064901543.db2.gz DCOOOTOHCWRWAX-RTBURBONSA-N 1 2 486.016 4.317 20 0 JIADLO COc1cc[nH+]cc1Cn1c(Cc2ccccc2C)nnc1N1CCC([C@](C)(O)C(F)(F)F)CC1 ZINC001315672795 1064903027 /nfs/dbraw/zinc/90/30/27/1064903027.db2.gz YYNLXTQYCWMERB-DEOSSOPVSA-N 1 2 489.542 4.159 20 0 JIADLO COc1cc[nH+]cc1Cn1c(COc2ccccc2F)nnc1N1CCO[C@](C)(C(C)(C)C)C1 ZINC001315672430 1064903205 /nfs/dbraw/zinc/90/32/05/1064903205.db2.gz LVSBWYMIJKVAPC-VWLOTQADSA-N 1 2 469.561 4.090 20 0 JIADLO COCC1=CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2Cc2ccc(N(C)C)[nH+]c2)CC1 ZINC001315869242 1065289814 /nfs/dbraw/zinc/28/98/14/1065289814.db2.gz AYTXEWMTYDFACM-UHFFFAOYSA-N 1 2 490.652 4.447 20 0 JIADLO COC[C@H]1CCCCN(c2nnc(Cc3ccccn3)n2C[C@@H](c2c(F)cccc2F)[NH+](C)C)C1 ZINC001315883907 1065327055 /nfs/dbraw/zinc/32/70/55/1065327055.db2.gz WEIRYICFWJOTMH-CVDCTZTESA-N 1 2 484.595 4.098 20 0 JIADLO COCCC(C)(C)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCc2c(cc[nH+]c2N(C)C)C1 ZINC001315954795 1065497407 /nfs/dbraw/zinc/49/74/07/1065497407.db2.gz QMVWFGLXZGIEIE-UHFFFAOYSA-N 1 2 494.640 4.049 20 0 JIADLO COCCC1(Cn2c(-c3ccc(Cl)cc3F)nnc2N(C)CC[NH+]2CCOCC2)CCCCC1 ZINC001315977288 1065536752 /nfs/dbraw/zinc/53/67/52/1065536752.db2.gz KZUVQGAKGMZOLW-UHFFFAOYSA-N 1 2 494.055 4.493 20 0 JIADLO COCCCN(C)c1nnc(Cc2ccc(F)cc2)n1Cc1ccc(N2CCC(C)CC2)[nH+]c1 ZINC001316025223 1065633296 /nfs/dbraw/zinc/63/32/96/1065633296.db2.gz LXCPPJJIDGVXJO-UHFFFAOYSA-N 1 2 466.605 4.160 20 0 JIADLO COCCO[C@@H](C)c1nnc(N2CCC[C@@H]2c2cccc(C)c2)n1Cc1c[nH+]ccc1OC ZINC001316193328 1065886310 /nfs/dbraw/zinc/88/63/10/1065886310.db2.gz NURKXKHZDOWCEK-SIKLNZKXSA-N 1 2 451.571 4.104 20 0 JIADLO COCCO[C@H](C)c1nnc(N2CCC[C@H]2c2cccc(C)c2)n1Cc1c[nH+]ccc1OC ZINC001316193327 1065886355 /nfs/dbraw/zinc/88/63/55/1065886355.db2.gz NURKXKHZDOWCEK-KNQAVFIVSA-N 1 2 451.571 4.104 20 0 JIADLO COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[C@@H](C(F)F)C2)n1C[C@@H](c1c(F)cccc1F)[NH+](C)C ZINC001316290887 1066050858 /nfs/dbraw/zinc/05/08/58/1066050858.db2.gz PRJLTQHFLZGDMO-DFPKUZHUSA-N 1 2 499.553 4.065 20 0 JIADLO Cc1cccc(-c2nnc(N(CC(C)C)C(C)C)n2Cc2ccc(N3CCO[C@H](C)C3)[nH+]c2)n1 ZINC001492504453 1066320889 /nfs/dbraw/zinc/32/08/89/1066320889.db2.gz WRQXZERNSNXFRO-OAQYLSRUSA-N 1 2 463.630 4.188 20 0 JIADLO CSCCCN(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@H](C)[NH+]1CCOCC1 ZINC001316464474 1066363340 /nfs/dbraw/zinc/36/33/40/1066363340.db2.gz BFKSOUZEQLTOTC-ROUUACIJSA-N 1 2 463.717 4.041 20 0 JIADLO CSCCCn1c(COc2ccc(C)cc2)nnc1N1CC[NH+](Cc2cnc(C)s2)CC1 ZINC001316478516 1066390695 /nfs/dbraw/zinc/39/06/95/1066390695.db2.gz CKHZCOSRPLHZBV-UHFFFAOYSA-N 1 2 472.684 4.006 20 0 JIADLO CSCCCn1c(COc2cc(C)ccc2C)nnc1N1CCc2c(cc[nH+]c2N(C)C)C1 ZINC001316479166 1066392507 /nfs/dbraw/zinc/39/25/07/1066392507.db2.gz ROEYGBPGNQLHBQ-UHFFFAOYSA-N 1 2 466.655 4.251 20 0 JIADLO Cc1cccc(CCCn2c(C(C)C)nnc2N2CCC[C@H](CNC(=O)OC(C)(C)C)C2)[nH+]1 ZINC001492525294 1066404621 /nfs/dbraw/zinc/40/46/21/1066404621.db2.gz PECPHHXRQSYYPU-HXUWFJFHSA-N 1 2 456.635 4.479 20 0 JIADLO Cc1cccc(CCCn2c(C(=O)NC(C)C)nnc2N(C)Cc2ccc(F)c(Cl)c2)[nH+]1 ZINC001492525456 1066405724 /nfs/dbraw/zinc/40/57/24/1066405724.db2.gz RZOACPKTGJGCHS-UHFFFAOYSA-N 1 2 458.969 4.181 20 0 JIADLO Cc1cccc(CCCn2c(-c3ccccc3Cl)nnc2N2CCCC[C@@H](S(C)(=O)=O)C2)[nH+]1 ZINC001492526078 1066411016 /nfs/dbraw/zinc/41/10/16/1066411016.db2.gz MRMZPXYMEUYAEX-HXUWFJFHSA-N 1 2 488.057 4.338 20 0 JIADLO Cc1cccc(CCCn2c(CC(C)C)nnc2N2CCN(Cc3ccc(Cl)cc3)C(=O)C2)[nH+]1 ZINC001492526696 1066416023 /nfs/dbraw/zinc/41/60/23/1066416023.db2.gz IPXBUKQSZYLQBC-UHFFFAOYSA-N 1 2 481.044 4.315 20 0 JIADLO Cc1cccc(CCCn2c(CC(C)(C)C)nnc2N2CC[C@@H](NC(=O)OC(C)(C)C)C2)[nH+]1 ZINC001492526719 1066416670 /nfs/dbraw/zinc/41/66/70/1066416670.db2.gz JGALBIPAPLNVDJ-HXUWFJFHSA-N 1 2 456.635 4.306 20 0 JIADLO Cc1cccc(CCCn2c([C@@H]3CCCN3C(=O)OC(C)(C)C)nnc2N(C)Cc2ccon2)[nH+]1 ZINC001492527397 1066420895 /nfs/dbraw/zinc/42/08/95/1066420895.db2.gz GHQCTVSZMSWHAG-NRFANRHFSA-N 1 2 481.601 4.311 20 0 JIADLO Cc1cccc(CCCn2c(CNC(=O)c3cccs3)nnc2N(C)Cc2ccccc2)[nH+]1 ZINC001492527371 1066421531 /nfs/dbraw/zinc/42/15/31/1066421531.db2.gz ZTNHPXIOPZPOKQ-UHFFFAOYSA-N 1 2 460.607 4.242 20 0 JIADLO C[C@@H]1CN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2Cc2ccc(N(C)C)[nH+]c2)C[C@H]1C(F)(F)F ZINC001316492290 1066430139 /nfs/dbraw/zinc/43/01/39/1066430139.db2.gz HSRHPIHQPJPVRY-DLVXIWMQSA-N 1 2 480.579 4.341 20 0 JIADLO CCN(Cc1ccccc1F)C(=O)NCc1cc[nH+]c(N2CCN(c3ccc(F)cc3)CC2)c1 ZINC001338010324 1066525161 /nfs/dbraw/zinc/52/51/61/1066525161.db2.gz KJTVKVRVPBUZDV-UHFFFAOYSA-N 1 2 465.548 4.418 20 0 JIADLO C[N@H+](Cc1nc(-c2ccc(N3CCN(c4ccc(F)cc4)CC3)nc2)no1)Cc1ccccc1 ZINC001339293448 1066575610 /nfs/dbraw/zinc/57/56/10/1066575610.db2.gz ICIBRJMGTQMXSD-UHFFFAOYSA-N 1 2 458.541 4.229 20 0 JIADLO C[N@@H+](Cc1nc(-c2ccc(N3CCN(c4ccc(F)cc4)CC3)nc2)no1)Cc1ccccc1 ZINC001339293448 1066575627 /nfs/dbraw/zinc/57/56/27/1066575627.db2.gz ICIBRJMGTQMXSD-UHFFFAOYSA-N 1 2 458.541 4.229 20 0 JIADLO C[C@H]1Oc2ccccc2N(CC(=O)O[C@H](Cn2cc[nH+]c2)c2ccc(Cl)cc2Cl)C1=O ZINC001343432558 1066615598 /nfs/dbraw/zinc/61/55/98/1066615598.db2.gz QFNVCDANYREUBX-JLTOFOAXSA-N 1 2 460.317 4.289 20 0 JIADLO Cc1cccc([C@H](Cn2c(CC(C)C)nnc2N2CCC(OC(C)C)CC2)[NH+]2CCOCC2)c1 ZINC001492480808 1066626511 /nfs/dbraw/zinc/62/65/11/1066626511.db2.gz PHTDYJPATDSXTF-VWLOTQADSA-N 1 2 469.674 4.252 20 0 JIADLO CCN(CC)S(=O)(=O)c1cccc(-c2nn(C[N@@H+]3CC[C@H]4CCCC[C@@H]4C3)c(=S)n2C)c1 ZINC001317700963 1066636046 /nfs/dbraw/zinc/63/60/46/1066636046.db2.gz WBYJCUOHIQOOSR-UYAOXDASSA-N 1 2 477.700 4.118 20 0 JIADLO CCN(CC)S(=O)(=O)c1cccc(-c2nn(C[N@H+]3CC[C@H]4CCCC[C@@H]4C3)c(=S)n2C)c1 ZINC001317700963 1066636055 /nfs/dbraw/zinc/63/60/55/1066636055.db2.gz WBYJCUOHIQOOSR-UYAOXDASSA-N 1 2 477.700 4.118 20 0 JIADLO C[C@H](Sc1ccnc2cc(Cl)ccc21)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001347777115 1066697641 /nfs/dbraw/zinc/69/76/41/1066697641.db2.gz RMIXGFGYARBEBJ-PXNSSMCTSA-N 1 2 456.011 4.386 20 0 JIADLO C[C@H](Sc1ccnc2cc(Cl)ccc21)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001347777115 1066697649 /nfs/dbraw/zinc/69/76/49/1066697649.db2.gz RMIXGFGYARBEBJ-PXNSSMCTSA-N 1 2 456.011 4.386 20 0 JIADLO CN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)[C@H](c2cccc(Cl)c2)[NH+](C)C)c1 ZINC001348283079 1066733689 /nfs/dbraw/zinc/73/36/89/1066733689.db2.gz PDZSMMNZHJVENE-QFIPXVFZSA-N 1 2 457.983 4.407 20 0 JIADLO COc1cc(CNC(=O)N2CC[NH+](Cc3ccc(C(F)(F)F)cc3)CC2)cc(Cl)c1OC ZINC001348382381 1066741104 /nfs/dbraw/zinc/74/11/04/1066741104.db2.gz NAODGVJBNMOCCL-UHFFFAOYSA-N 1 2 471.907 4.403 20 0 JIADLO Cc1ccc2c(c1)S[C@H](C(=O)NCc1cc[nH+]c(N3CCN(c4ccc(F)cc4)CC3)c1)C2 ZINC001317890872 1066760161 /nfs/dbraw/zinc/76/01/61/1066760161.db2.gz HUJYDEPCQOJCAP-DEOSSOPVSA-N 1 2 462.594 4.189 20 0 JIADLO CSc1ccc([C@H](CNC(=O)CNC(=O)c2ccc(C)s2)[N@@H+]2CCc3sccc3C2)cc1 ZINC001317909175 1066779328 /nfs/dbraw/zinc/77/93/28/1066779328.db2.gz RACJHZDJGXYQAS-FQEVSTJZSA-N 1 2 485.700 4.486 20 0 JIADLO CSc1ccc([C@H](CNC(=O)CNC(=O)c2ccc(C)s2)[N@H+]2CCc3sccc3C2)cc1 ZINC001317909175 1066779337 /nfs/dbraw/zinc/77/93/37/1066779337.db2.gz RACJHZDJGXYQAS-FQEVSTJZSA-N 1 2 485.700 4.486 20 0 JIADLO Cc1ccc(NC(=O)[C@H]([NH2+]Cc2ccccc2NS(C)(=O)=O)c2ccccc2)cc1Cl ZINC001317913301 1066782517 /nfs/dbraw/zinc/78/25/17/1066782517.db2.gz ITQNIAIZVDPMST-JOCHJYFZSA-N 1 2 457.983 4.490 20 0 JIADLO C[C@@H](C(=O)Nc1ccc(F)c(NC(=O)c2ccccc2I)c1)n1cc[nH+]c1 ZINC001318034713 1066862712 /nfs/dbraw/zinc/86/27/12/1066862712.db2.gz KJJYRBNVSLFEFW-LBPRGKRZSA-N 1 2 478.265 4.079 20 0 JIADLO Cc1nccnc1C(=O)N1CC[NH+](Cc2ccc(-c3cccc(Br)c3)s2)CC1 ZINC001349823030 1066886924 /nfs/dbraw/zinc/88/69/24/1066886924.db2.gz BQANPJYXOAGHGM-UHFFFAOYSA-N 1 2 457.397 4.234 20 0 JIADLO CN(C[C@@H]1CC[N@H+](CC(=O)N(CC(F)(F)F)c2ccc(Cl)cc2)C1)C(=O)OC(C)(C)C ZINC001318293571 1067005394 /nfs/dbraw/zinc/00/53/94/1067005394.db2.gz JYTOVOSCPWQIGH-HNNXBMFYSA-N 1 2 463.928 4.424 20 0 JIADLO CN(C[C@@H]1CC[N@@H+](CC(=O)N(CC(F)(F)F)c2ccc(Cl)cc2)C1)C(=O)OC(C)(C)C ZINC001318293571 1067005406 /nfs/dbraw/zinc/00/54/06/1067005406.db2.gz JYTOVOSCPWQIGH-HNNXBMFYSA-N 1 2 463.928 4.424 20 0 JIADLO C[C@H](c1cccc(NC(=O)NCc2ccc(-n3cnc4ccccc43)nc2)c1)[NH+]1CCOCC1 ZINC001318294543 1067005774 /nfs/dbraw/zinc/00/57/74/1067005774.db2.gz CWIHTAUMOWDQMJ-LJQANCHMSA-N 1 2 456.550 4.135 20 0 JIADLO C[C@]1(c2ccc(Cl)c(Cl)c2)NC(=O)N(C[NH+]2CCC([C@H]3c4ccccc4NC3=O)CC2)C1=O ZINC001318350983 1067028540 /nfs/dbraw/zinc/02/85/40/1067028540.db2.gz DWFFYMWLQHHRHU-GBXCKJPGSA-N 1 2 487.387 4.166 20 0 JIADLO C[C@@]1(c2ccc(Cl)c(Cl)c2)NC(=O)N(C[NH+]2CCC([C@H]3c4ccccc4NC3=O)CC2)C1=O ZINC001318350989 1067028568 /nfs/dbraw/zinc/02/85/68/1067028568.db2.gz DWFFYMWLQHHRHU-RDPSFJRHSA-N 1 2 487.387 4.166 20 0 JIADLO COc1cc[nH+]cc1Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N(C)CCC1CCOCC1 ZINC001300686549 1067028838 /nfs/dbraw/zinc/02/88/38/1067028838.db2.gz FTDJHZAMWIMLKY-SFHVURJKSA-N 1 2 469.561 4.262 20 0 JIADLO COc1cc[nH+]cc1Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N(C)Cc1c(C)noc1C ZINC001300687282 1067030643 /nfs/dbraw/zinc/03/06/43/1067030643.db2.gz MPRUWZFBEWZAAX-QGZVFWFLSA-N 1 2 466.517 4.250 20 0 JIADLO CN(C(=O)OC(C)(C)C)C1(C)CC[NH+]([C@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C2=O)CC1 ZINC001318363540 1067031565 /nfs/dbraw/zinc/03/15/65/1067031565.db2.gz QDTZOZQFQXNPFU-KRWDZBQOSA-N 1 2 469.504 4.059 20 0 JIADLO COc1cc[nH+]cc1Cn1c(-c2cccc(OC(F)F)c2)nnc1N1C[C@@H](C)S[C@@H](C)C1 ZINC001300692824 1067042425 /nfs/dbraw/zinc/04/24/25/1067042425.db2.gz BVFIIPNQFTYIAW-GASCZTMLSA-N 1 2 461.538 4.329 20 0 JIADLO COc1cc[nH+]cc1Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N(C)Cc1ncnn1CC(F)F ZINC001300692746 1067042516 /nfs/dbraw/zinc/04/25/16/1067042516.db2.gz ANBRGVPBCXUPLZ-UHFFFAOYSA-N 1 2 496.566 4.188 20 0 JIADLO COc1cc[nH+]cc1Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1C[C@@H](C)O[C@H](C)C1 ZINC001300693289 1067043924 /nfs/dbraw/zinc/04/39/24/1067043924.db2.gz DHAFKMWDQVIPTI-ZACQAIPSSA-N 1 2 457.962 4.137 20 0 JIADLO COc1cc[nH+]cc1Cn1c(-c2ccc(Br)cc2)nnc1N1CCS[C@H](C)[C@@H]1C ZINC001300693622 1067045201 /nfs/dbraw/zinc/04/52/01/1067045201.db2.gz HYIDFFLXRQDDOB-LSDHHAIUSA-N 1 2 474.428 4.490 20 0 JIADLO COc1cc[nH+]cc1Cn1c(-c2ccc(C)c(Br)c2)nnc1N(C)CC1CCOCC1 ZINC001300693641 1067046104 /nfs/dbraw/zinc/04/61/04/1067046104.db2.gz IMVHOHTTZCLYPI-UHFFFAOYSA-N 1 2 486.414 4.331 20 0 JIADLO COc1cc[nH+]cc1Cn1c([C@H](C)Oc2ccccc2F)nnc1N(C)CCC1CCOCC1 ZINC001300694204 1067047845 /nfs/dbraw/zinc/04/78/45/1067047845.db2.gz PACWDPHUGVLSHY-SFHVURJKSA-N 1 2 469.561 4.262 20 0 JIADLO O=C(Cn1cc(C(F)(F)F)ccc1=O)NCc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC001318494550 1067048813 /nfs/dbraw/zinc/04/88/13/1067048813.db2.gz RBZDUVROIAGKDT-UHFFFAOYSA-N 1 2 466.463 4.095 20 0 JIADLO COc1cc[nH+]cc1Cn1c(CC(C)C)nnc1N1CCC([C@@H](O)c2ccc(F)cc2)CC1 ZINC001300697766 1067055589 /nfs/dbraw/zinc/05/55/89/1067055589.db2.gz SOGIYOGZEQQUMI-DEOSSOPVSA-N 1 2 453.562 4.018 20 0 JIADLO CS[C@@H]1CC[C@H](N(C)C(=O)c2cccnc2N2CC[NH+](Cc3cccc(Cl)c3)CC2)C1 ZINC001354791576 1067099840 /nfs/dbraw/zinc/09/98/40/1067099840.db2.gz IZWAQTPDKGHQCS-LEWJYISDSA-N 1 2 459.059 4.413 20 0 JIADLO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)N2CCC([C@@H]3c4ccccc4NC3=O)CC2)C[C@@H](C)O1 ZINC001321425480 1067123544 /nfs/dbraw/zinc/12/35/44/1067123544.db2.gz KWJCKHZWKOKSLJ-MPCDZSKCSA-N 1 2 462.594 4.276 20 0 JIADLO CCc1ccc(N2CCN(C(=O)[C@H](c3cccc(Br)c3)[NH+]3CCCC3)CC2)cc1 ZINC001354866915 1067221623 /nfs/dbraw/zinc/22/16/23/1067221623.db2.gz YREVHEUIVNXQCD-QHCPKHFHSA-N 1 2 456.428 4.497 20 0 JIADLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)N3CCC([C@@H]4C(=O)Nc5ccccc54)CC3)n2)C1 ZINC001322346769 1067278857 /nfs/dbraw/zinc/27/88/57/1067278857.db2.gz MZFSCFPYXISRCM-IERDGZPVSA-N 1 2 453.612 4.355 20 0 JIADLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)N3CCC([C@@H]4C(=O)Nc5ccccc54)CC3)n2)C1 ZINC001322346769 1067278868 /nfs/dbraw/zinc/27/88/68/1067278868.db2.gz MZFSCFPYXISRCM-IERDGZPVSA-N 1 2 453.612 4.355 20 0 JIADLO COc1ccc(C)cc1C[NH+]1CCN(C(=O)N[C@H]2CCCc3c2cnn3Cc2ccccc2)CC1 ZINC001323296685 1067317774 /nfs/dbraw/zinc/31/77/74/1067317774.db2.gz IABPCKDDCLVVGS-VWLOTQADSA-N 1 2 473.621 4.153 20 0 JIADLO CNc1nc(C)cc(C(=O)NC[C@@H](c2ccc(SC)cc2)[N@@H+]2CCc3sccc3C2)n1 ZINC001355270327 1067398839 /nfs/dbraw/zinc/39/88/39/1067398839.db2.gz KJUIMVKFGLHPMA-FQEVSTJZSA-N 1 2 453.637 4.140 20 0 JIADLO CNc1nc(C)cc(C(=O)NC[C@@H](c2ccc(SC)cc2)[N@H+]2CCc3sccc3C2)n1 ZINC001355270327 1067398850 /nfs/dbraw/zinc/39/88/50/1067398850.db2.gz KJUIMVKFGLHPMA-FQEVSTJZSA-N 1 2 453.637 4.140 20 0 JIADLO COc1ccc(-c2nnc(N3CC[C@H](C)C(C)(C)C3)n2Cc2ccc(N(C)C)[nH+]c2)cc1OC ZINC001300032295 1067426874 /nfs/dbraw/zinc/42/68/74/1067426874.db2.gz GCWLWDHMMYZTDX-SFHVURJKSA-N 1 2 464.614 4.344 20 0 JIADLO CC[NH+](CC)Cc1nc(C2(NC(=O)c3ccc(OC)cc3OC3CCCC3)CCCC2)no1 ZINC001355404536 1067450856 /nfs/dbraw/zinc/45/08/56/1067450856.db2.gz FIJDFFPAYDSZKA-UHFFFAOYSA-N 1 2 456.587 4.441 20 0 JIADLO CCN(CC)S(=O)(=O)c1ccc(Cl)c(NC(=O)[C@@H](c2ccc(Cl)cc2)[NH+](C)C)c1 ZINC001355588828 1067518727 /nfs/dbraw/zinc/51/87/27/1067518727.db2.gz FDKXVHDKUIDDSY-LJQANCHMSA-N 1 2 458.411 4.265 20 0 JIADLO C[C@@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)Nc1cc(Br)ccc1F ZINC001200087231 1067580154 /nfs/dbraw/zinc/58/01/54/1067580154.db2.gz JBBZWMWIWWPFHC-INIZCTEOSA-N 1 2 450.352 4.343 20 0 JIADLO Cc1nc(C[N@@H+]2CC[C@]3(C2)COCCN(S(=O)(=O)c2ccc(Cl)c4ccccc42)C3)cs1 ZINC001200107475 1067635255 /nfs/dbraw/zinc/63/52/55/1067635255.db2.gz FLSZTKSSKNPXSL-HSZRJFAPSA-N 1 2 492.066 4.171 20 0 JIADLO Cc1nc(C[N@H+]2CC[C@]3(C2)COCCN(S(=O)(=O)c2ccc(Cl)c4ccccc42)C3)cs1 ZINC001200107475 1067635267 /nfs/dbraw/zinc/63/52/67/1067635267.db2.gz FLSZTKSSKNPXSL-HSZRJFAPSA-N 1 2 492.066 4.171 20 0 JIADLO COc1ccc(C[C@@H](C)CN(C)c2nnc(C)n2C[C@H](c2cccs2)[NH+]2CCOCC2)cc1 ZINC001300100074 1067674315 /nfs/dbraw/zinc/67/43/15/1067674315.db2.gz RVRMVWLVYIWEMJ-AUSIDOKSSA-N 1 2 469.655 4.045 20 0 JIADLO O=C(N[C@H]1CCN(c2cccc[nH+]2)C1)[C@H](Oc1ccccc1Br)c1ccccc1 ZINC001356555188 1067777667 /nfs/dbraw/zinc/77/76/67/1067777667.db2.gz OWBIJEZOVYWVJP-PGRDOPGGSA-N 1 2 452.352 4.359 20 0 JIADLO Clc1cc(Cl)cc(-c2nnc3ccc(NCc4ccccc4OCC[NH+]4CCOCC4)nn32)c1 ZINC000488086028 1067805538 /nfs/dbraw/zinc/80/55/38/1067805538.db2.gz UKYMGLDQNIYMSY-UHFFFAOYSA-N 1 2 499.402 4.421 20 0 JIADLO O=C(COCC(F)F)N1CC[NH+](Cc2ccc(-c3cccc(Br)c3)s2)CC1 ZINC001352977740 1067824824 /nfs/dbraw/zinc/82/48/24/1067824824.db2.gz PSQITRMMICXSKJ-UHFFFAOYSA-N 1 2 459.356 4.104 20 0 JIADLO C[NH+](C)Cc1nc(CSCCNS(=O)(=O)c2ccc(Cl)c3ccccc32)cs1 ZINC001200191626 1067825287 /nfs/dbraw/zinc/82/52/87/1067825287.db2.gz ZCCUYVXJNGNCIG-UHFFFAOYSA-N 1 2 456.058 4.223 20 0 JIADLO CC(C)(C)OC(=O)N[C@@H](Cc1ccc2cc[nH]c2c1)C(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC001357464111 1067853051 /nfs/dbraw/zinc/85/30/51/1067853051.db2.gz JTUZHJKIBFAMLT-QHCPKHFHSA-N 1 2 459.550 4.106 20 0 JIADLO CC(C)(C)OC(=O)N[C@H](Cc1ccc2cc[nH]c2c1)C(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC001357464110 1067853111 /nfs/dbraw/zinc/85/31/11/1067853111.db2.gz JTUZHJKIBFAMLT-HSZRJFAPSA-N 1 2 459.550 4.106 20 0 JIADLO Cc1cc(Br)cc(C)c1NC(=S)N1CCCn2c(C[N@@H+](C)C(C)C)nnc2C1 ZINC001200221174 1067861793 /nfs/dbraw/zinc/86/17/93/1067861793.db2.gz ASLYGWCLNVXDOQ-UHFFFAOYSA-N 1 2 465.465 4.100 20 0 JIADLO Cc1cc(Br)cc(C)c1NC(=S)N1CCCn2c(C[N@H+](C)C(C)C)nnc2C1 ZINC001200221174 1067861796 /nfs/dbraw/zinc/86/17/96/1067861796.db2.gz ASLYGWCLNVXDOQ-UHFFFAOYSA-N 1 2 465.465 4.100 20 0 JIADLO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)Cc2noc3ccc(Br)cc32)C[C@@H](C)O1 ZINC001357518857 1067863207 /nfs/dbraw/zinc/86/32/07/1067863207.db2.gz JGZQBUBKAAHMHE-HUUCEWRRSA-N 1 2 458.356 4.381 20 0 JIADLO COc1ccc(C[NH+]2CCN(c3nnc(C(C)(C)C)n3CCCc3nccs3)CC2)cc1F ZINC001300231464 1067914009 /nfs/dbraw/zinc/91/40/09/1067914009.db2.gz ZUKWNKHEXVEPRG-UHFFFAOYSA-N 1 2 472.634 4.135 20 0 JIADLO COc1ccc(C[NH+]2CCN(c3nnc(CC(C)(C)C)n3C[C@@H]3CCC[C@@H]3OC)CC2)cc1F ZINC001300232324 1067919145 /nfs/dbraw/zinc/91/91/45/1067919145.db2.gz SIAPZPQBKFXQBI-UNMCSNQZSA-N 1 2 473.637 4.152 20 0 JIADLO CC(C)(C)OC(=O)NCC[N@H+](CC(=O)N(Cc1cccc(F)c1)C1CC1)Cc1ccccc1 ZINC001353242204 1067945128 /nfs/dbraw/zinc/94/51/28/1067945128.db2.gz STFZVGASZHBNAU-UHFFFAOYSA-N 1 2 455.574 4.344 20 0 JIADLO CC(C)(C)OC(=O)NCC[N@@H+](CC(=O)N(Cc1cccc(F)c1)C1CC1)Cc1ccccc1 ZINC001353242204 1067945138 /nfs/dbraw/zinc/94/51/38/1067945138.db2.gz STFZVGASZHBNAU-UHFFFAOYSA-N 1 2 455.574 4.344 20 0 JIADLO CC(C)(C)OC(=O)N1[C@H](C(=O)Nc2cccc(C[NH+]3CCOCC3)c2)CC[C@H]2CCCC[C@@H]21 ZINC001357927921 1067946397 /nfs/dbraw/zinc/94/63/97/1067946397.db2.gz JXNDKBYSFGDASU-PUHATCMVSA-N 1 2 457.615 4.416 20 0 JIADLO COc1ccc(-c2ncc(C(=O)N[C@H](c3ccc(Cl)cc3)[C@H]3C[N@H+](C)CCO3)s2)cc1 ZINC001358073088 1068011286 /nfs/dbraw/zinc/01/12/86/1068011286.db2.gz SJQYVWOGKDMIGX-TZIWHRDSSA-N 1 2 457.983 4.274 20 0 JIADLO COc1ccc(-c2ncc(C(=O)N[C@H](c3ccc(Cl)cc3)[C@H]3C[N@@H+](C)CCO3)s2)cc1 ZINC001358073088 1068011301 /nfs/dbraw/zinc/01/13/01/1068011301.db2.gz SJQYVWOGKDMIGX-TZIWHRDSSA-N 1 2 457.983 4.274 20 0 JIADLO CC(C)(COCc1ccccc1)C(=O)N1CC[NH+](Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC001358124525 1068026220 /nfs/dbraw/zinc/02/62/20/1068026220.db2.gz OEUMYHNAVMCTMG-UHFFFAOYSA-N 1 2 450.501 4.472 20 0 JIADLO C[C@@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)CCCOc1ccc2c(c1)CCCC2 ZINC001358432450 1068089793 /nfs/dbraw/zinc/08/97/93/1068089793.db2.gz CFHAEKIKMHYPTN-QHCPKHFHSA-N 1 2 450.623 4.474 20 0 JIADLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)NCCCNc3ccc(C(F)(F)F)cn3)n2)C1 ZINC000509590037 1068150997 /nfs/dbraw/zinc/15/09/97/1068150997.db2.gz CEFJPHJJHDMLMU-AWEZNQCLSA-N 1 2 456.538 4.413 20 0 JIADLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)NCCCNc3ccc(C(F)(F)F)cn3)n2)C1 ZINC000509590037 1068151025 /nfs/dbraw/zinc/15/10/25/1068151025.db2.gz CEFJPHJJHDMLMU-AWEZNQCLSA-N 1 2 456.538 4.413 20 0 JIADLO COc1ccc(C[C@@H]([NH2+]Cc2nc(N)nc(Nc3ccccc3C)n2)c2ccc(OC)cc2)cc1 ZINC000499056055 1068216355 /nfs/dbraw/zinc/21/63/55/1068216355.db2.gz ZNELFXLCMMKEAT-XMMPIXPASA-N 1 2 470.577 4.019 20 0 JIADLO Cc1nc(NCc2cccc(C(=O)N3CCO[C@H](c4cccc(OC(F)F)c4)C3)c2)cc[nH+]1 ZINC000622468900 1068362574 /nfs/dbraw/zinc/36/25/74/1068362574.db2.gz ULCFCDCFAMJBGV-NRFANRHFSA-N 1 2 454.477 4.212 20 0 JIADLO Cc1nc(NCc2cccc(C(=O)N3CC[C@@H](Oc4ccc(C(F)(F)F)cn4)C3)c2)cc[nH+]1 ZINC000622482941 1068362684 /nfs/dbraw/zinc/36/26/84/1068362684.db2.gz NZJDBAHYUQULGQ-LJQANCHMSA-N 1 2 457.456 4.104 20 0 JIADLO CCOc1ccccc1C[N@@H+]1CCN(C(=O)c2cccc(CNc3ccnc(C)n3)c2)[C@H](C)C1 ZINC000622582557 1068364703 /nfs/dbraw/zinc/36/47/03/1068364703.db2.gz VUNUFRRLVUGTTO-HXUWFJFHSA-N 1 2 459.594 4.142 20 0 JIADLO CCOc1ccccc1C[N@H+]1CCN(C(=O)c2cccc(CNc3ccnc(C)n3)c2)[C@H](C)C1 ZINC000622582557 1068364717 /nfs/dbraw/zinc/36/47/17/1068364717.db2.gz VUNUFRRLVUGTTO-HXUWFJFHSA-N 1 2 459.594 4.142 20 0 JIADLO O=C([C@H]1C[N@H+](Cc2ccccc2)CCO1)N(CC(F)(F)F)c1ccc(Br)cc1 ZINC001353861766 1068681068 /nfs/dbraw/zinc/68/10/68/1068681068.db2.gz SUMHSFZEWNWILK-GOSISDBHSA-N 1 2 457.290 4.245 20 0 JIADLO O=C([C@H]1C[N@@H+](Cc2ccccc2)CCO1)N(CC(F)(F)F)c1ccc(Br)cc1 ZINC001353861766 1068681076 /nfs/dbraw/zinc/68/10/76/1068681076.db2.gz SUMHSFZEWNWILK-GOSISDBHSA-N 1 2 457.290 4.245 20 0 JIADLO COc1cccc(CNC(=S)NCc2c[nH+]cn2Cc2cccc(C(F)(F)F)c2)c1OC ZINC001200530423 1068831664 /nfs/dbraw/zinc/83/16/64/1068831664.db2.gz YWMPXTCNMGTTAV-UHFFFAOYSA-N 1 2 464.513 4.132 20 0 JIADLO COc1ccccc1-c1nnc(N2C[C@@H](C)[C@H](C(F)(F)F)C2)n1CCCNc1cccc[nH+]1 ZINC001300520548 1068910769 /nfs/dbraw/zinc/91/07/69/1068910769.db2.gz IYDCTJPOQXYSKC-SJLPKXTDSA-N 1 2 460.504 4.486 20 0 JIADLO COc1ccc([C@H]2CC(c3cccs3)=NN2C(=O)CO[NH+]=C(N)c2ccccc2C)cc1OC ZINC000849213963 1068973151 /nfs/dbraw/zinc/97/31/51/1068973151.db2.gz VITOHCBBKNBGDD-HXUWFJFHSA-N 1 2 478.574 4.298 20 0 JIADLO CSc1ccc([C@H](CNC(=O)c2cn(C(C)(C)C)nn2)[N@@H+]2CCc3sccc3C2)cc1 ZINC001354346346 1069127874 /nfs/dbraw/zinc/12/78/74/1069127874.db2.gz BLKKSDPAVKBALG-FQEVSTJZSA-N 1 2 455.653 4.346 20 0 JIADLO CSc1ccc([C@H](CNC(=O)c2cn(C(C)(C)C)nn2)[N@H+]2CCc3sccc3C2)cc1 ZINC001354346346 1069127878 /nfs/dbraw/zinc/12/78/78/1069127878.db2.gz BLKKSDPAVKBALG-FQEVSTJZSA-N 1 2 455.653 4.346 20 0 JIADLO O=C(Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1)c1csc(I)n1 ZINC001354356240 1069134906 /nfs/dbraw/zinc/13/49/06/1069134906.db2.gz HBWAELPXQDPGMI-UHFFFAOYSA-N 1 2 450.305 4.200 20 0 JIADLO COc1ccc(C(F)(F)N2CCO[C@@H](c3[nH+]cn4c3cccc4Br)C2)nc1Cl ZINC001164421365 718890405 /nfs/dbraw/zinc/89/04/05/718890405.db2.gz XKTQTFAMHPEIFE-CYBMUJFWSA-N 1 2 473.705 4.277 20 0 JIADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ncc(Cl)cc1C(=O)OC)CC2 ZINC001164664178 719346438 /nfs/dbraw/zinc/34/64/38/719346438.db2.gz SUYQJCFKVHXKCD-UHFFFAOYSA-N 1 2 465.985 4.216 20 0 JIADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ncc(Cl)cc1C(=O)OC)CC2 ZINC001164664178 719346440 /nfs/dbraw/zinc/34/64/40/719346440.db2.gz SUYQJCFKVHXKCD-UHFFFAOYSA-N 1 2 465.985 4.216 20 0 JIADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ncc3ccc(C(=O)OC)cc3n1)CC2 ZINC001164663797 719346915 /nfs/dbraw/zinc/34/69/15/719346915.db2.gz LYNKQSKWEZPGNH-UHFFFAOYSA-N 1 2 482.588 4.111 20 0 JIADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ncc3ccc(C(=O)OC)cc3n1)CC2 ZINC001164663797 719346918 /nfs/dbraw/zinc/34/69/18/719346918.db2.gz LYNKQSKWEZPGNH-UHFFFAOYSA-N 1 2 482.588 4.111 20 0 JIADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1cnc3cc(OC)c(OC)cc3n1)CC2 ZINC001164664571 719349589 /nfs/dbraw/zinc/34/95/89/719349589.db2.gz YZZWMZDLJQITJT-UHFFFAOYSA-N 1 2 484.604 4.342 20 0 JIADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1cnc3cc(OC)c(OC)cc3n1)CC2 ZINC001164664571 719349591 /nfs/dbraw/zinc/34/95/91/719349591.db2.gz YZZWMZDLJQITJT-UHFFFAOYSA-N 1 2 484.604 4.342 20 0 JIADLO CCOC(=O)c1cnc(C2CC2)nc1N1CCC2(CC1)c1ncc(-c3ccccc3)n1CC[N@H+]2CC ZINC001164664592 719350410 /nfs/dbraw/zinc/35/04/10/719350410.db2.gz ZSSMVMGIGADFJU-UHFFFAOYSA-N 1 2 486.620 4.225 20 0 JIADLO CCOC(=O)c1cnc(C2CC2)nc1N1CCC2(CC1)c1ncc(-c3ccccc3)n1CC[N@@H+]2CC ZINC001164664592 719350412 /nfs/dbraw/zinc/35/04/12/719350412.db2.gz ZSSMVMGIGADFJU-UHFFFAOYSA-N 1 2 486.620 4.225 20 0 JIADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1cc(C(=O)N3CCCC3)ccn1)CC2 ZINC001164659000 719352146 /nfs/dbraw/zinc/35/21/46/719352146.db2.gz PKPRLVQWYKKALY-UHFFFAOYSA-N 1 2 470.621 4.012 20 0 JIADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1cc(C(=O)N3CCCC3)ccn1)CC2 ZINC001164659000 719352148 /nfs/dbraw/zinc/35/21/48/719352148.db2.gz PKPRLVQWYKKALY-UHFFFAOYSA-N 1 2 470.621 4.012 20 0 JIADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ncc(C(=O)N(C)C)cc1Cl)CC2 ZINC001164658560 719353636 /nfs/dbraw/zinc/35/36/36/719353636.db2.gz JAYXNBKIFHTOSZ-UHFFFAOYSA-N 1 2 479.028 4.132 20 0 JIADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ncc(C(=O)N(C)C)cc1Cl)CC2 ZINC001164658560 719353638 /nfs/dbraw/zinc/35/36/38/719353638.db2.gz JAYXNBKIFHTOSZ-UHFFFAOYSA-N 1 2 479.028 4.132 20 0 JIADLO O=C(NC1CCCCC1)c1cccnc1N1CCC2(CC1)COCC[N@H+]2Cc1ccc(F)cc1 ZINC001164672334 719496628 /nfs/dbraw/zinc/49/66/28/719496628.db2.gz LHJVDZBJDGQDJD-UHFFFAOYSA-N 1 2 466.601 4.155 20 0 JIADLO O=C(NC1CCCCC1)c1cccnc1N1CCC2(CC1)COCC[N@@H+]2Cc1ccc(F)cc1 ZINC001164672334 719496637 /nfs/dbraw/zinc/49/66/37/719496637.db2.gz LHJVDZBJDGQDJD-UHFFFAOYSA-N 1 2 466.601 4.155 20 0 JIADLO CCOC(=O)c1ccc2nc(Cl)nc(N3CCC4(CC3)COCC[N@@H+]4Cc3ccc(F)cc3)c2c1 ZINC001164671690 719518860 /nfs/dbraw/zinc/51/88/60/719518860.db2.gz HKAOKKMANMMWHK-UHFFFAOYSA-N 1 2 498.986 4.470 20 0 JIADLO CCOC(=O)c1ccc2nc(Cl)nc(N3CCC4(CC3)COCC[N@H+]4Cc3ccc(F)cc3)c2c1 ZINC001164671690 719518877 /nfs/dbraw/zinc/51/88/77/719518877.db2.gz HKAOKKMANMMWHK-UHFFFAOYSA-N 1 2 498.986 4.470 20 0 JIADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1cc(-c2ccccc2)c2ccc(OC)cc2n1 ZINC001164704437 719868715 /nfs/dbraw/zinc/86/87/15/719868715.db2.gz MAEXSYSTIBMUJR-PIKZIKFNSA-N 1 2 475.589 4.143 20 0 JIADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1cc(-c2ccccc2)c2ccc(OC)cc2n1 ZINC001164704438 719869052 /nfs/dbraw/zinc/86/90/52/719869052.db2.gz MAEXSYSTIBMUJR-RBTNQOKQSA-N 1 2 475.589 4.143 20 0 JIADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ccc(-c2ccc(-c3ccccc3)cc2)nn1 ZINC001164699841 719872867 /nfs/dbraw/zinc/87/28/67/719872867.db2.gz BXRHJQBIDGXGNO-UFHPHHKVSA-N 1 2 472.589 4.043 20 0 JIADLO CC(=O)NC[C@H]1c2[nH+]cn(C(C)C)c2CCN1C(F)(F)c1cc(-c2ccccc2F)nnc1Cl ZINC001164723290 720317018 /nfs/dbraw/zinc/31/70/18/720317018.db2.gz NFUUFYHFKFCCBC-FQEVSTJZSA-N 1 2 492.933 4.498 20 0 JIADLO CC[C@@H](C)c1nc(Cl)c(C)c(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@H+]3C)n1 ZINC001164827201 720384595 /nfs/dbraw/zinc/38/45/95/720384595.db2.gz ZWFNOLDNKRCBKL-OAHLLOKOSA-N 1 2 477.078 4.030 20 0 JIADLO CC[C@@H](C)c1nc(Cl)c(C)c(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@@H+]3C)n1 ZINC001164827201 720384600 /nfs/dbraw/zinc/38/46/00/720384600.db2.gz ZWFNOLDNKRCBKL-OAHLLOKOSA-N 1 2 477.078 4.030 20 0 JIADLO FC(F)(c1cc(Cl)nc(-c2cccnc2)n1)N1CCC2(CC1)CN(c1cccc[nH+]1)CCO2 ZINC001164870747 721220055 /nfs/dbraw/zinc/22/00/55/721220055.db2.gz HMLZCQWRYZTHCV-UHFFFAOYSA-N 1 2 472.927 4.008 20 0 JIADLO FC(F)(c1nc2ccsc2c(Cl)n1)N1Cc2c[nH+]cn2C[C@H](COc2cccnc2)C1 ZINC001164766871 721273507 /nfs/dbraw/zinc/27/35/07/721273507.db2.gz OXJJSTPAQWJKIP-ZDUSSCGKSA-N 1 2 462.913 4.197 20 0 JIADLO c1ccc(-c2cc(N3CCO[C@@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)nc3ccccc32)cc1 ZINC001164914997 721792922 /nfs/dbraw/zinc/79/29/22/721792922.db2.gz SSTSSCQJKDJYIL-LJAQVGFWSA-N 1 2 466.585 4.405 20 0 JIADLO c1ccc(-c2cc(N3CCO[C@@]4(C3)COCC[N@H+](Cc3cccnc3)C4)nc3ccccc32)cc1 ZINC001164914997 721792925 /nfs/dbraw/zinc/79/29/25/721792925.db2.gz SSTSSCQJKDJYIL-LJAQVGFWSA-N 1 2 466.585 4.405 20 0 JIADLO Cc1cnc2n1CC[N@@H+](C)C21CCN(C(F)(F)c2nc(Cl)c3cc(Cl)ccc3n2)CC1 ZINC001164916460 721813896 /nfs/dbraw/zinc/81/38/96/721813896.db2.gz DWZMAXDIXNOTCC-UHFFFAOYSA-N 1 2 467.351 4.428 20 0 JIADLO Cc1cnc2n1CC[N@H+](C)C21CCN(C(F)(F)c2nc(Cl)c3cc(Cl)ccc3n2)CC1 ZINC001164916460 721813897 /nfs/dbraw/zinc/81/38/97/721813897.db2.gz DWZMAXDIXNOTCC-UHFFFAOYSA-N 1 2 467.351 4.428 20 0 JIADLO O=C1NCC[N@H+](Cc2ccccc2)C12CCN(c1cc(SCc3ccccc3)ccn1)CC2 ZINC001164951423 721979665 /nfs/dbraw/zinc/97/96/65/721979665.db2.gz ZNXXXPJLKYNGEP-UHFFFAOYSA-N 1 2 458.631 4.345 20 0 JIADLO O=C1NCC[N@@H+](Cc2ccccc2)C12CCN(c1cc(SCc3ccccc3)ccn1)CC2 ZINC001164951423 721979667 /nfs/dbraw/zinc/97/96/67/721979667.db2.gz ZNXXXPJLKYNGEP-UHFFFAOYSA-N 1 2 458.631 4.345 20 0 JIADLO Cc1cncc(COCc2cnc3n2CCN(c2ncnc4c2C[N@H+](Cc2ccccc2)CC4)[C@H]3C)c1 ZINC001164965851 722062674 /nfs/dbraw/zinc/06/26/74/722062674.db2.gz MBPSRJFTDQNOPY-QFIPXVFZSA-N 1 2 495.631 4.233 20 0 JIADLO Cc1cncc(COCc2cnc3n2CCN(c2ncnc4c2C[N@@H+](Cc2ccccc2)CC4)[C@H]3C)c1 ZINC001164965851 722062676 /nfs/dbraw/zinc/06/26/76/722062676.db2.gz MBPSRJFTDQNOPY-QFIPXVFZSA-N 1 2 495.631 4.233 20 0 JIADLO COC(=O)c1ccc(-c2ccc(N3CC[C@H]4OCCN(Cc5csc(C)n5)[C@@H]4CC3)[nH+]c2C)cc1 ZINC001164987669 722184746 /nfs/dbraw/zinc/18/47/46/722184746.db2.gz LFYSVZAYXGISIK-JWQCQUIFSA-N 1 2 492.645 4.478 20 0 JIADLO Cc1nc(CO[C@@H]2COC3(C2)CCN(c2ncnc4c2C[N@H+](Cc2ccccc2)CC4)CC3)cs1 ZINC001165005778 722272586 /nfs/dbraw/zinc/27/25/86/722272586.db2.gz JVPAFDOUJZGLNU-QHCPKHFHSA-N 1 2 491.661 4.145 20 0 JIADLO Cc1nc(CO[C@@H]2COC3(C2)CCN(c2ncnc4c2C[N@@H+](Cc2ccccc2)CC4)CC3)cs1 ZINC001165005778 722272587 /nfs/dbraw/zinc/27/25/87/722272587.db2.gz JVPAFDOUJZGLNU-QHCPKHFHSA-N 1 2 491.661 4.145 20 0 JIADLO FC(F)(F)Oc1cc(Br)ccc1NC(=S)N1CCN(c2cccc[nH+]2)CC1 ZINC001200708894 1069346751 /nfs/dbraw/zinc/34/67/51/1069346751.db2.gz RQMLHEOCFNBXHL-UHFFFAOYSA-N 1 2 461.307 4.262 20 0 JIADLO CC(C)c1nc2cc(NC(=O)N3CC[NH+]([C@@H]4CCN(C(=O)OC(C)(C)C)C4)CC3)ccc2o1 ZINC001200712348 1069358677 /nfs/dbraw/zinc/35/86/77/1069358677.db2.gz HSEBXYJKKLLELH-GOSISDBHSA-N 1 2 457.575 4.110 20 0 JIADLO CC(C)(C)Cc1nnc(N2CC[NH+](CCOc3ccccc3Cl)CC2)n1C[C@H]1CCSC1 ZINC001359540968 1069838537 /nfs/dbraw/zinc/83/85/37/1069838537.db2.gz MBWMHCARZHZJNC-LJQANCHMSA-N 1 2 478.106 4.474 20 0 JIADLO CC(C)(C)OC(=O)NCCCCn1c(-c2ccccc2F)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC001359571041 1069938768 /nfs/dbraw/zinc/93/87/68/1069938768.db2.gz TZDVZDIYEMUSCD-UHFFFAOYSA-N 1 2 495.603 4.111 20 0 JIADLO CC(C)C(=O)N[C@@H]1CCCN(c2nnc(C(C)(C)C)n2Cc2ccc(N3CCCCCC3)[nH+]c2)C1 ZINC001359618959 1070089002 /nfs/dbraw/zinc/08/90/02/1070089002.db2.gz FXECPXWLJWDMGQ-JOCHJYFZSA-N 1 2 481.689 4.140 20 0 JIADLO CC(C)C(C)(C)Cn1c(COc2ccc(F)cc2)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC001359647064 1070198429 /nfs/dbraw/zinc/19/84/29/1070198429.db2.gz OJLVUJSNPQUFBG-UHFFFAOYSA-N 1 2 452.578 4.400 20 0 JIADLO CC(C)c1nnc(N2CCC(OCc3ccccc3F)CC2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001359701457 1070367078 /nfs/dbraw/zinc/36/70/78/1070367078.db2.gz UPTRUWIEPMCMNM-UHFFFAOYSA-N 1 2 452.578 4.236 20 0 JIADLO CC(C)c1nnc(N2CCC[C@H](NC(=O)C(C)(C)C)C2)n1Cc1ccc(N2CCCCCC2)[nH+]c1 ZINC001359708274 1070376792 /nfs/dbraw/zinc/37/67/92/1070376792.db2.gz LXIZUNQTVQTWRE-QFIPXVFZSA-N 1 2 481.689 4.356 20 0 JIADLO COc1ccc(C[NH+]2CCN(c3nnc([C@@H]4CCCCO4)n3CCCCSC)CC2)cc1F ZINC001315505172 1064418085 /nfs/dbraw/zinc/41/80/85/1064418085.db2.gz NYPHFFBEFQEGKK-QFIPXVFZSA-N 1 2 477.650 4.133 20 0 JIADLO COc1ccc(C[NH+]2CCN(c3nnc(CC(C)C)n3Cc3csc(C)c3)CC2)cc1F ZINC001315505245 1064418632 /nfs/dbraw/zinc/41/86/32/1064418632.db2.gz PSUGHYGFZSCLEM-UHFFFAOYSA-N 1 2 457.619 4.365 20 0 JIADLO COc1ccc(F)cc1C[NH+]1CCN(c2nnc(C(C)(C)C)n2Cc2ccnc(SC)c2)CC1 ZINC001315515874 1064463225 /nfs/dbraw/zinc/46/32/25/1064463225.db2.gz UAHSOWJUYCNLNE-UHFFFAOYSA-N 1 2 484.645 4.211 20 0 JIADLO COc1ccc(OCc2nnc(N(C)CC(F)(F)F)n2Cc2cc[nH+]c(N3CCCCC3)c2)cc1 ZINC001315526190 1064502462 /nfs/dbraw/zinc/50/24/62/1064502462.db2.gz DNDWHRNVBUWTEJ-UHFFFAOYSA-N 1 2 490.530 4.298 20 0 JIADLO COc1cccc(Cn2c(CC(C)(C)C)nnc2N2CC[NH+](Cc3cnc(C)s3)CC2)c1OC ZINC001315580851 1064645250 /nfs/dbraw/zinc/64/52/50/1064645250.db2.gz HPWMOSKMGQRJSZ-UHFFFAOYSA-N 1 2 484.670 4.019 20 0 JIADLO COc1ccccc1Cc1nnc(N2CCC(CC(F)(F)F)CC2)n1Cc1c[nH+]ccc1OC ZINC001315621371 1064756177 /nfs/dbraw/zinc/75/61/77/1064756177.db2.gz FECIBWUOGVZYEO-UHFFFAOYSA-N 1 2 475.515 4.498 20 0 JIADLO COc1ccccc1SCc1nnc(N2CC[C@@H](C(C)(C)C)C2)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001315666009 1064881134 /nfs/dbraw/zinc/88/11/34/1064881134.db2.gz VMNSGGMARVADOP-VQTJNVASSA-N 1 2 473.687 4.172 20 0 JIADLO COc1ccccc1SCc1nnc(N2CC[C@@H](C(C)(C)C)C2)n1CC[N@H+]1CCOC[C@@H]1C ZINC001315666009 1064881137 /nfs/dbraw/zinc/88/11/37/1064881137.db2.gz VMNSGGMARVADOP-VQTJNVASSA-N 1 2 473.687 4.172 20 0 JIADLO COc1cc[nH+]cc1Cn1c(-c2ccc(F)cc2Br)nnc1N(C)CCCSC ZINC001315669137 1064895411 /nfs/dbraw/zinc/89/54/11/1064895411.db2.gz HFUOGLYPRXZHJG-UHFFFAOYSA-N 1 2 480.407 4.488 20 0 JIADLO COc1cc[nH+]cc1Cn1c(-c2ccccc2C)nnc1N1CCC[C@@H](CNC(=O)C(C)(C)C)C1 ZINC001315670267 1064899046 /nfs/dbraw/zinc/89/90/46/1064899046.db2.gz VQGXAWDNZDKQNV-FQEVSTJZSA-N 1 2 476.625 4.084 20 0 JIADLO COc1cc[nH+]cc1Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1C[C@H](C)CC(C)(C)C1 ZINC001315670359 1064899152 /nfs/dbraw/zinc/89/91/52/1064899152.db2.gz LSPHTRHUWIPQJS-QGZVFWFLSA-N 1 2 462.598 4.472 20 0 JIADLO COc1cc[nH+]cc1Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC=C(Br)C1 ZINC001315670635 1064899616 /nfs/dbraw/zinc/89/96/16/1064899616.db2.gz PPDODZLSRCWLJB-UHFFFAOYSA-N 1 2 497.397 4.088 20 0 JIADLO COc1cc[nH+]cc1Cn1c(CCCOc2ccc(Cl)cc2C)nnc1N1C[C@@H](C)O[C@@H](C)C1 ZINC001315671381 1064900639 /nfs/dbraw/zinc/90/06/39/1064900639.db2.gz DCOOOTOHCWRWAX-KDURUIRLSA-N 1 2 486.016 4.317 20 0 JIADLO COc1cc[nH+]cc1Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCC[C@](C)(OC)CC1 ZINC001315671188 1064900748 /nfs/dbraw/zinc/90/07/48/1064900748.db2.gz BYUUPAMCPHAVRI-DEOSSOPVSA-N 1 2 455.990 4.370 20 0 JIADLO COc1cc[nH+]cc1Cn1c(COc2ccccc2OC)nnc1N1CCC[C@H](C(C)C)C1 ZINC001315672140 1064902199 /nfs/dbraw/zinc/90/21/99/1064902199.db2.gz JBNWTPPOUAPKNZ-IBGZPJMESA-N 1 2 451.571 4.190 20 0 JIADLO COc1cc[nH+]cc1Cn1c([C@H]2CCCCO2)nnc1N(C)Cc1ccccc1Br ZINC001315672319 1064903318 /nfs/dbraw/zinc/90/33/18/1064903318.db2.gz OGTCKYQGYIYCII-HXUWFJFHSA-N 1 2 472.387 4.371 20 0 JIADLO COc1cc[nH+]cc1Cn1c(COc2cc(C)cc(C)c2)nnc1N(C)Cc1cnc(C)s1 ZINC001315672480 1064903617 /nfs/dbraw/zinc/90/36/17/1064903617.db2.gz NHARKRXWIOSOQO-UHFFFAOYSA-N 1 2 464.595 4.327 20 0 JIADLO COc1cc[nH+]cc1Cn1c([C@H]2CCCOC2)nnc1N(C)Cc1cccc(Br)c1 ZINC001315672914 1064903880 /nfs/dbraw/zinc/90/38/80/1064903880.db2.gz UVAFDKZVAHETNP-KRWDZBQOSA-N 1 2 472.387 4.023 20 0 JIADLO COc1cc[nH+]cc1Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)c1ccc(C)cc1 ZINC001315672902 1064904352 /nfs/dbraw/zinc/90/43/52/1064904352.db2.gz UKKZZWHTAUUZOU-NRFANRHFSA-N 1 2 494.596 4.115 20 0 JIADLO COc1cc[nH+]cc1Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CC[C@@H](C(C)(C)C)C1 ZINC001315672959 1064904434 /nfs/dbraw/zinc/90/44/34/1064904434.db2.gz RUSZYQOJDRMIJP-RLLQIKCJSA-N 1 2 484.645 4.373 20 0 JIADLO COc1cc[nH+]cc1Cn1c(CC(C)(C)C)nnc1N1CC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC001315673102 1064905121 /nfs/dbraw/zinc/90/51/21/1064905121.db2.gz WWSVSZFHZJBCCU-QZTJIDSGSA-N 1 2 472.634 4.058 20 0 JIADLO COc1cc[nH+]cc1Cn1c(COc2ccc(Cl)cc2)nnc1N1CC[C@H](OCC(C)C)C1 ZINC001315673287 1064906007 /nfs/dbraw/zinc/90/60/07/1064906007.db2.gz YIYONGQNKPRJQE-NRFANRHFSA-N 1 2 471.989 4.214 20 0 JIADLO COC[C@@H]1CCCCN(c2nnc(Cc3cccnc3)n2C[C@@H](c2c(F)cccc2F)[NH+](C)C)C1 ZINC001315883051 1065324863 /nfs/dbraw/zinc/32/48/63/1065324863.db2.gz ULXKHUVFRQEIHP-OFNKIYASSA-N 1 2 484.595 4.098 20 0 JIADLO COCCN(C)c1nnc(-c2ccc(Cl)cc2OC)n1Cc1ccc(N2CCCCC2)[nH+]c1 ZINC001316058023 1065694960 /nfs/dbraw/zinc/69/49/60/1065694960.db2.gz JMTNHLGDTBKCPA-UHFFFAOYSA-N 1 2 471.005 4.123 20 0 JIADLO COCCO[C@H](C)c1nnc(N2CC=C(C(C)(C)C)CC2)n1CCc1cn2ccccc2[nH+]1 ZINC001316163493 1065830814 /nfs/dbraw/zinc/83/08/14/1065830814.db2.gz CSNABFDSUZFWLV-LJQANCHMSA-N 1 2 452.603 4.075 20 0 JIADLO CS[C@@H](C)Cn1c(CCCc2ccccc2)nnc1N1CCc2c(cc[nH+]c2N(C)C)C1 ZINC001316385006 1066154560 /nfs/dbraw/zinc/15/45/60/1066154560.db2.gz CKMYBSQYHJWMBJ-IBGZPJMESA-N 1 2 450.656 4.229 20 0 JIADLO Cc1ccc(C)c(N2N=C(C(=O)Nc3ccc4nc(C[NH+]5CCCCC5)[nH]c4c3)CCC2=O)c1 ZINC001325992310 1066278853 /nfs/dbraw/zinc/27/88/53/1066278853.db2.gz RAKXVQIWKKKIPO-UHFFFAOYSA-N 1 2 458.566 4.287 20 0 JIADLO CC[NH+](CC)Cc1csc(NC(=O)c2ccc(S(=O)(=O)N(C)C3CCCCC3)cc2)n1 ZINC001331700679 1066361538 /nfs/dbraw/zinc/36/15/38/1066361538.db2.gz GVTNAYKDYJCENF-UHFFFAOYSA-N 1 2 464.657 4.190 20 0 JIADLO CC[NH+](CC)Cc1csc(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCC[C@@H](C)C3)c2)n1 ZINC001332875528 1066380642 /nfs/dbraw/zinc/38/06/42/1066380642.db2.gz IJYWVNSSLNRFHV-OAHLLOKOSA-N 1 2 485.075 4.311 20 0 JIADLO CSCCCn1c(-c2ccc(C)o2)nnc1N(C)C[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC001316474324 1066383100 /nfs/dbraw/zinc/38/31/00/1066383100.db2.gz FNOZGIOHIVVECY-SFHVURJKSA-N 1 2 461.657 4.171 20 0 JIADLO O=C(NC[C@H]1C[N@H+](Cc2ccccc2)CCO1)Nc1ccc(NC(=O)C2CC2)cc1C(F)(F)F ZINC001333501599 1066388590 /nfs/dbraw/zinc/38/85/90/1066388590.db2.gz RVTIHFIBRHMSBN-IBGZPJMESA-N 1 2 476.499 4.076 20 0 JIADLO O=C(NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1)Nc1ccc(NC(=O)C2CC2)cc1C(F)(F)F ZINC001333501599 1066388609 /nfs/dbraw/zinc/38/86/09/1066388609.db2.gz RVTIHFIBRHMSBN-IBGZPJMESA-N 1 2 476.499 4.076 20 0 JIADLO CC(C)(C)OC(=O)N[C@@H](c1noc(-c2cccc(C[NH+]3CCOCC3)c2)n1)c1ccccc1 ZINC001334872050 1066401942 /nfs/dbraw/zinc/40/19/42/1066401942.db2.gz GKWODXMKKGYIMU-OAQYLSRUSA-N 1 2 450.539 4.183 20 0 JIADLO Cc1cccc(CCCn2c(-c3cc(Br)cn3C)nnc2N2CCSC[C@@H]2C)[nH+]1 ZINC001492525630 1066406870 /nfs/dbraw/zinc/40/68/70/1066406870.db2.gz UMHGYBOVRQSKJI-INIZCTEOSA-N 1 2 475.460 4.324 20 0 JIADLO Cc1cccc(CCCn2c(-c3ccc(C(C)(C)C)cc3)nnc2N2CC[C@@](C)(C(N)=O)C2)[nH+]1 ZINC001492525667 1066407077 /nfs/dbraw/zinc/40/70/77/1066407077.db2.gz VNDJKLXEJNRJIW-HHHXNRCGSA-N 1 2 460.626 4.281 20 0 JIADLO COc1ccc(-c2nn(C[N@@H+]3CCCN4c5ccccc5C[C@@H]4C3)c(=S)n2C[C@H]2CCCO2)cc1 ZINC001335299042 1066407929 /nfs/dbraw/zinc/40/79/29/1066407929.db2.gz GRACSKQHKATBPR-ISKFKSNPSA-N 1 2 491.661 4.363 20 0 JIADLO COc1ccc(-c2nn(C[N@H+]3CCCN4c5ccccc5C[C@@H]4C3)c(=S)n2C[C@H]2CCCO2)cc1 ZINC001335299042 1066407934 /nfs/dbraw/zinc/40/79/34/1066407934.db2.gz GRACSKQHKATBPR-ISKFKSNPSA-N 1 2 491.661 4.363 20 0 JIADLO Cc1cccc(CCCn2c(-c3ccccn3)nnc2N2CC[C@@H](CNC(=O)OC(C)(C)C)C2)[nH+]1 ZINC001492526210 1066413735 /nfs/dbraw/zinc/41/37/35/1066413735.db2.gz QBDRNNHCPVLFPD-FQEVSTJZSA-N 1 2 477.613 4.027 20 0 JIADLO Cc1cccc(CCCn2c(C3CC3)nnc2N2CCC[C@H](N(C)C(=O)OC(C)(C)C)C2)[nH+]1 ZINC001492526173 1066414106 /nfs/dbraw/zinc/41/41/06/1066414106.db2.gz PEMARWINIQFNFZ-NRFANRHFSA-N 1 2 454.619 4.327 20 0 JIADLO Cc1cccc(CCCn2c(-c3ccc(Cl)nc3)nnc2N2CC[C@H](NC(=O)OC(C)(C)C)C2)[nH+]1 ZINC001492526472 1066415483 /nfs/dbraw/zinc/41/54/83/1066415483.db2.gz ZWMLFZVHUMZWLN-FQEVSTJZSA-N 1 2 498.031 4.433 20 0 JIADLO Cc1cccc(CCCn2c([C@H]3COCCN3C(=O)OC(C)(C)C)nnc2N(C)CC(C)(C)C)[nH+]1 ZINC001492526877 1066417595 /nfs/dbraw/zinc/41/75/95/1066417595.db2.gz OGZNTNNRDMPBEW-OAQYLSRUSA-N 1 2 486.661 4.405 20 0 JIADLO Cc1cccc(CCCn2c(COc3ccc(Cl)cc3)nnc2N(C)CC(=O)NC(C)(C)C)[nH+]1 ZINC001492527204 1066420010 /nfs/dbraw/zinc/42/00/10/1066420010.db2.gz XTMWWNRLNQPGKG-UHFFFAOYSA-N 1 2 485.032 4.198 20 0 JIADLO Cc1cccc(CCCn2c(COc3ccccc3F)nnc2N2CCC(CC(=O)N(C)C)CC2)[nH+]1 ZINC001492527688 1066425192 /nfs/dbraw/zinc/42/51/92/1066425192.db2.gz PIHCJNPUSQMSFS-UHFFFAOYSA-N 1 2 494.615 4.027 20 0 JIADLO Cc1cccc(CCCn2c(N3CCN(C(=O)OC(C)(C)C)[C@@H](C)C3)nnc2C(C)(C)C)[nH+]1 ZINC001492527868 1066427006 /nfs/dbraw/zinc/42/70/06/1066427006.db2.gz WLYGMSUDKBCGIJ-IBGZPJMESA-N 1 2 456.635 4.357 20 0 JIADLO FC(F)OCCCn1c(-c2ccc(Br)cc2)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC001316521466 1066528230 /nfs/dbraw/zinc/52/82/30/1066528230.db2.gz RRNKKBXZLYERJJ-UHFFFAOYSA-N 1 2 493.356 4.059 20 0 JIADLO C[C@H]1CCCN(C(=O)CCNC(=O)NCc2ccccc2-c2ccc(Cn3cc[nH+]c3)cc2)C1 ZINC001339733077 1066578527 /nfs/dbraw/zinc/57/85/27/1066578527.db2.gz KZSBUVROVXFBBD-NRFANRHFSA-N 1 2 459.594 4.046 20 0 JIADLO C[C@@H]1Oc2ccccc2N(CC(=O)O[C@@H](Cn2cc[nH+]c2)c2ccc(Cl)cc2Cl)C1=O ZINC001343432561 1066615859 /nfs/dbraw/zinc/61/58/59/1066615859.db2.gz QFNVCDANYREUBX-XOBRGWDASA-N 1 2 460.317 4.289 20 0 JIADLO Cc1cccc(OCc2nnc(N(C)Cc3ccc(Cl)s3)n2CC[N@H+]2CCOC[C@@H]2C)c1 ZINC001492538816 1066620554 /nfs/dbraw/zinc/62/05/54/1066620554.db2.gz SEVLIEKAJWVKIU-SFHVURJKSA-N 1 2 476.046 4.238 20 0 JIADLO Cc1cccc(OCc2nnc(N(C)Cc3ccc(Cl)s3)n2CC[N@@H+]2CCOC[C@@H]2C)c1 ZINC001492538816 1066620564 /nfs/dbraw/zinc/62/05/64/1066620564.db2.gz SEVLIEKAJWVKIU-SFHVURJKSA-N 1 2 476.046 4.238 20 0 JIADLO Cc1cccc([C@@H](Cn2c(CC(C)C)nnc2N2CCS[C@@H](C(C)C)C2)[NH+]2CCOCC2)c1 ZINC001492481349 1066627283 /nfs/dbraw/zinc/62/72/83/1066627283.db2.gz WHYZIJABOLHFRT-DNQXCXABSA-N 1 2 471.715 4.436 20 0 JIADLO C[C@@H]1C[N@@H+](Cc2ccc(C(=O)Nc3ncc(C(O)(C(F)(F)F)C(F)(F)F)s3)cc2)C[C@H](C)O1 ZINC001317885744 1066754774 /nfs/dbraw/zinc/75/47/74/1066754774.db2.gz OXWNPPAFXLCPMU-TXEJJXNPSA-N 1 2 497.461 4.317 20 0 JIADLO C[C@@H]1C[N@H+](Cc2ccc(C(=O)Nc3ncc(C(O)(C(F)(F)F)C(F)(F)F)s3)cc2)C[C@H](C)O1 ZINC001317885744 1066754791 /nfs/dbraw/zinc/75/47/91/1066754791.db2.gz OXWNPPAFXLCPMU-TXEJJXNPSA-N 1 2 497.461 4.317 20 0 JIADLO C[C@]1(c2ccc(C(F)(F)F)cc2)NC(=O)N(C[NH+]2CCC(c3nc4ccccc4o3)CC2)C1=O ZINC001317889003 1066758259 /nfs/dbraw/zinc/75/82/59/1066758259.db2.gz FOVJBQAZZCZKSA-HSZRJFAPSA-N 1 2 472.467 4.451 20 0 JIADLO O=C(CSCc1cccs1)NCc1cc[nH+]c(N2CCN(c3ccc(F)cc3)CC2)c1 ZINC001317891251 1066760703 /nfs/dbraw/zinc/76/07/03/1066760703.db2.gz RVMMYWISAWARBX-UHFFFAOYSA-N 1 2 456.612 4.158 20 0 JIADLO COCCn1cc(NC(=O)NC[C@@H](c2ccc(SC)cc2)[N@@H+]2CCc3sccc3C2)ccc1=O ZINC001318014510 1066852262 /nfs/dbraw/zinc/85/22/62/1066852262.db2.gz POSPBICNAGVULV-QFIPXVFZSA-N 1 2 498.674 4.199 20 0 JIADLO COCCn1cc(NC(=O)NC[C@@H](c2ccc(SC)cc2)[N@H+]2CCc3sccc3C2)ccc1=O ZINC001318014510 1066852264 /nfs/dbraw/zinc/85/22/64/1066852264.db2.gz POSPBICNAGVULV-QFIPXVFZSA-N 1 2 498.674 4.199 20 0 JIADLO CO[C@H](C(=O)N1CC[NH+](Cc2ccc(-c3cccc(Br)c3)s2)CC1)C(C)C ZINC001349826855 1066887317 /nfs/dbraw/zinc/88/73/17/1066887317.db2.gz NYVGBENERKMKFM-FQEVSTJZSA-N 1 2 451.430 4.493 20 0 JIADLO COCCOc1ccc(C(F)(F)F)cc1NC(=O)C[NH+]1CCC([C@H]2C(=O)Nc3ccccc32)CC1 ZINC001318218016 1066966740 /nfs/dbraw/zinc/96/67/40/1066966740.db2.gz IIMFHTVYUFQXCM-HSZRJFAPSA-N 1 2 491.510 4.117 20 0 JIADLO CSc1ccc([C@H](CNC(=O)COCc2ccccn2)[N@@H+]2CCc3sccc3C2)cc1 ZINC001350522031 1066967958 /nfs/dbraw/zinc/96/79/58/1066967958.db2.gz IGPSZUKEPAORSU-QFIPXVFZSA-N 1 2 453.633 4.297 20 0 JIADLO CSc1ccc([C@H](CNC(=O)COCc2ccccn2)[N@H+]2CCc3sccc3C2)cc1 ZINC001350522031 1066967970 /nfs/dbraw/zinc/96/79/70/1066967970.db2.gz IGPSZUKEPAORSU-QFIPXVFZSA-N 1 2 453.633 4.297 20 0 JIADLO CC(=O)N(CC(=O)N1CC[NH+](Cc2ccc(-c3ccccc3F)s2)CC1)c1ccccc1 ZINC001350808643 1067004848 /nfs/dbraw/zinc/00/48/48/1067004848.db2.gz UXIIDPCDDSGUAC-UHFFFAOYSA-N 1 2 451.567 4.252 20 0 JIADLO CC(C)(C)OC(=O)NCc1ccccc1CNC(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC001318298657 1067007105 /nfs/dbraw/zinc/00/71/05/1067007105.db2.gz VDCINAHNZRZMAB-UHFFFAOYSA-N 1 2 459.616 4.475 20 0 JIADLO COc1ccccc1SCc1nnc(N2CCSCC2)n1CCCNc1cccc[nH+]1 ZINC001300685858 1067027177 /nfs/dbraw/zinc/02/71/77/1067027177.db2.gz CULVPORKALKIFS-UHFFFAOYSA-N 1 2 456.641 4.029 20 0 JIADLO COc1cc[nH+]cc1Cn1c(-c2ccccc2Br)nnc1N(C)Cc1c(C)nn(C)c1C ZINC001300692600 1067041748 /nfs/dbraw/zinc/04/17/48/1067041748.db2.gz JDOZDKJVJQWTST-UHFFFAOYSA-N 1 2 496.413 4.146 20 0 JIADLO COc1cc[nH+]cc1Cn1c(-c2ccc(Cl)nc2)nnc1N(C)CCN(C)c1ccccc1 ZINC001300692743 1067042631 /nfs/dbraw/zinc/04/26/31/1067042631.db2.gz AJCIPDVJPXDNQS-UHFFFAOYSA-N 1 2 463.973 4.018 20 0 JIADLO COc1cc[nH+]cc1Cn1c(-c2ccc(Br)cc2)nnc1N1CCS[C@H](C)[C@H]1C ZINC001300693621 1067045410 /nfs/dbraw/zinc/04/54/10/1067045410.db2.gz HYIDFFLXRQDDOB-HUUCEWRRSA-N 1 2 474.428 4.490 20 0 JIADLO COc1cc[nH+]cc1Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@@H](OC(C)(C)C)C1 ZINC001300693686 1067045598 /nfs/dbraw/zinc/04/55/98/1067045598.db2.gz KFBGUJITOHBRTP-GOSISDBHSA-N 1 2 456.978 4.229 20 0 JIADLO COc1cc[nH+]cc1Cn1c(-c2ccc(Br)s2)nnc1N(C)C[C@@H]1CCCOC1 ZINC001300693691 1067045819 /nfs/dbraw/zinc/04/58/19/1067045819.db2.gz KHBLKYPLGKHFJE-AWEZNQCLSA-N 1 2 478.416 4.084 20 0 JIADLO COc1cc[nH+]cc1Cn1c(-c2ccc(Br)cc2)nnc1N(C)CCOC(C)(C)C ZINC001300694234 1067047954 /nfs/dbraw/zinc/04/79/54/1067047954.db2.gz PUABOBJDRFVOOZ-UHFFFAOYSA-N 1 2 474.403 4.411 20 0 JIADLO COc1cc[nH+]cc1Cn1c(-c2ccc(C)c(Br)c2)nnc1N1C[C@H](C)OC(C)(C)C1 ZINC001300694341 1067048800 /nfs/dbraw/zinc/04/88/00/1067048800.db2.gz QLOWFSNLXDGDAX-INIZCTEOSA-N 1 2 486.414 4.472 20 0 JIADLO COc1cc[nH+]cc1Cn1c(Cc2ccccc2C)nnc1N1CCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC001300695161 1067051436 /nfs/dbraw/zinc/05/14/36/1067051436.db2.gz NDEUIXHKVZYTAH-QFIPXVFZSA-N 1 2 492.624 4.123 20 0 JIADLO COc1cc[nH+]cc1Cn1c(Cc2ccccc2C)nnc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001300695160 1067051615 /nfs/dbraw/zinc/05/16/15/1067051615.db2.gz NDEUIXHKVZYTAH-JOCHJYFZSA-N 1 2 492.624 4.123 20 0 JIADLO COc1cc[nH+]cc1Cn1c(Cn2nc(C)cc2C)nnc1N(C)[C@@H](C)c1ccc(F)c(F)c1 ZINC001300695405 1067051987 /nfs/dbraw/zinc/05/19/87/1067051987.db2.gz WGSIDMBOXMPPPA-KRWDZBQOSA-N 1 2 467.524 4.067 20 0 JIADLO COc1cc[nH+]cc1Cn1c(COc2ccccc2OC)nnc1N(C)[C@H]1CCC[C@H](C)C1 ZINC001300701559 1067061884 /nfs/dbraw/zinc/06/18/84/1067061884.db2.gz CTWAPQYJDZAFPM-ICSRJNTNSA-N 1 2 451.571 4.333 20 0 JIADLO CC(C)(C)n1ncc(C(=O)NC2CC[NH+](CC(=O)Nc3ccccc3)CC2)c1-c1ccccc1 ZINC001354753322 1067077082 /nfs/dbraw/zinc/07/70/82/1067077082.db2.gz CAYJCNJWUBHYTN-UHFFFAOYSA-N 1 2 459.594 4.138 20 0 JIADLO O=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)c1ccc(I)c(Cl)c1 ZINC001351407456 1067090948 /nfs/dbraw/zinc/09/09/48/1067090948.db2.gz ZCGRNIIHMBOQLS-UHFFFAOYSA-N 1 2 455.658 4.199 20 0 JIADLO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)c2cnc(OC3CCOCC3)c(Cl)c2)C[C@@H](C)O1 ZINC001354797822 1067112767 /nfs/dbraw/zinc/11/27/67/1067112767.db2.gz OOIMBAOHNJWEIG-IAGOWNOFSA-N 1 2 459.974 4.154 20 0 JIADLO CC(C)(C)OC(=O)N1CCC([C@@H]2CCCN(C(=O)Cc3ccc(-n4cc[nH+]c4)cc3)C2)CC1 ZINC001300727600 1067142153 /nfs/dbraw/zinc/14/21/53/1067142153.db2.gz KVQBTRKBFYSHHM-JOCHJYFZSA-N 1 2 452.599 4.301 20 0 JIADLO CC(C)(C)c1csc(C(=O)NCc2cc[nH+]c(N3CCN(c4ccc(F)cc4)CC3)c2)n1 ZINC001354829389 1067156081 /nfs/dbraw/zinc/15/60/81/1067156081.db2.gz PEFDMMMMYMMXPU-UHFFFAOYSA-N 1 2 453.587 4.231 20 0 JIADLO COc1ccc(S(=O)(=O)CCC(=O)NCc2ccccc2-c2ccc(Cn3cc[nH+]c3)cc2)cc1 ZINC001321551805 1067163373 /nfs/dbraw/zinc/16/33/73/1067163373.db2.gz VQEMQQRCICZSGQ-UHFFFAOYSA-N 1 2 489.597 4.087 20 0 JIADLO CO[C@@H]1CN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCCc2cccc(C)[nH+]2)CC1(C)C ZINC001300791240 1067362001 /nfs/dbraw/zinc/36/20/01/1067362001.db2.gz KNNFTDDOVCRTPV-HSZRJFAPSA-N 1 2 476.625 4.345 20 0 JIADLO COc1ccc(-c2nnc(N3C[C@H](C(F)(F)F)O[C@@H](C)C3)n2CCCNc2cccc[nH+]2)cc1 ZINC001300025359 1067395517 /nfs/dbraw/zinc/39/55/17/1067395517.db2.gz TUTOHSGVOKKUFW-QFBILLFUSA-N 1 2 476.503 4.007 20 0 JIADLO CCN(C[C@H]1COc2ccccc2O1)C(=O)[C@@H](c1cccc(Br)c1)[NH+]1CCCC1 ZINC001352506088 1067454455 /nfs/dbraw/zinc/45/44/55/1067454455.db2.gz NIZASFDLKJKEOC-SIKLNZKXSA-N 1 2 459.384 4.275 20 0 JIADLO O=C(CSCC[NH+]1CCOCC1)Nc1ccc(Oc2ccc(Br)cc2)cc1 ZINC001472972802 1067474594 /nfs/dbraw/zinc/47/45/94/1067474594.db2.gz QCDQSHUYKPITGY-UHFFFAOYSA-N 1 2 451.386 4.245 20 0 JIADLO Cc1ccc2c(c1)O[C@H](C)CN2C(=O)C[N@H+](CCNC(=O)OC(C)(C)C)Cc1ccccc1 ZINC001355473744 1067479432 /nfs/dbraw/zinc/47/94/32/1067479432.db2.gz RYRGSRPTGYOHSA-HXUWFJFHSA-N 1 2 453.583 4.136 20 0 JIADLO Cc1ccc2c(c1)O[C@H](C)CN2C(=O)C[N@@H+](CCNC(=O)OC(C)(C)C)Cc1ccccc1 ZINC001355473744 1067479437 /nfs/dbraw/zinc/47/94/37/1067479437.db2.gz RYRGSRPTGYOHSA-HXUWFJFHSA-N 1 2 453.583 4.136 20 0 JIADLO CCC1(CC)CN(C(=O)C2CC[NH+](Cc3nccn3C)CC2)c2ccc(Br)cc21 ZINC001355546239 1067508000 /nfs/dbraw/zinc/50/80/00/1067508000.db2.gz RDBMYOFRRRJREE-UHFFFAOYSA-N 1 2 459.432 4.499 20 0 JIADLO COc1ccc(OCC(F)(F)C(F)F)c(C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)c1 ZINC001355755568 1067574250 /nfs/dbraw/zinc/57/42/50/1067574250.db2.gz RFHBVWAPNDDHKE-UHFFFAOYSA-N 1 2 455.452 4.290 20 0 JIADLO C[C@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)Nc1cc(Br)ccc1F ZINC001200087232 1067580263 /nfs/dbraw/zinc/58/02/63/1067580263.db2.gz JBBZWMWIWWPFHC-MRXNPFEDSA-N 1 2 450.352 4.343 20 0 JIADLO Cc1sc(=O)n(CCC(=O)N2CC[NH+](Cc3ccc(-c4ccccc4F)s3)CC2)c1C ZINC001355898798 1067602446 /nfs/dbraw/zinc/60/24/46/1067602446.db2.gz NLHKFZRGPNABCM-UHFFFAOYSA-N 1 2 459.612 4.129 20 0 JIADLO O=C(C1CCN(CC(F)F)CC1)N1CC[NH+](Cc2ccc(-c3ccccc3F)s2)CC1 ZINC001355905519 1067604908 /nfs/dbraw/zinc/60/49/08/1067604908.db2.gz BVAJJNSHWAASMX-UHFFFAOYSA-N 1 2 451.558 4.176 20 0 JIADLO CC(=O)Nc1ccc(C(=O)N2CC[NH+](Cc3ccc(-c4cccc(Cl)c4)s3)CC2)nc1 ZINC001352727124 1067654006 /nfs/dbraw/zinc/65/40/06/1067654006.db2.gz XFBSGHMZDJFTDQ-UHFFFAOYSA-N 1 2 454.983 4.380 20 0 JIADLO Cc1ccc(NC(=S)N2Cc3c[nH+]cn3C[C@H](COCc3ccccn3)C2)c(Br)c1 ZINC001200144467 1067748790 /nfs/dbraw/zinc/74/87/90/1067748790.db2.gz KVGPCBOUOGUTKT-QGZVFWFLSA-N 1 2 486.439 4.395 20 0 JIADLO COc1ccc(CCc2nnc(N3CCS[C@H](C)C3)n2CCCc2cccc(C)[nH+]2)cc1 ZINC001300127927 1067760600 /nfs/dbraw/zinc/76/06/00/1067760600.db2.gz DIHMSQGGKJKMTR-HXUWFJFHSA-N 1 2 451.640 4.350 20 0 JIADLO Cc1cc(Br)cn2cc(CCNC(=O)Nc3ccc(N(C)C)c(Cl)c3)[nH+]c12 ZINC001200164348 1067796701 /nfs/dbraw/zinc/79/67/01/1067796701.db2.gz PXDGJNPOUXZPEV-UHFFFAOYSA-N 1 2 450.768 4.489 20 0 JIADLO CCS(=O)(=O)c1cccc(C(=O)NCc2ccccc2-c2ccc(Cn3cc[nH+]c3)cc2)c1 ZINC001352928834 1067806480 /nfs/dbraw/zinc/80/64/80/1067806480.db2.gz IZKVMVYSVMEBCD-UHFFFAOYSA-N 1 2 459.571 4.322 20 0 JIADLO CC(C)Oc1cccc(C(=O)N2CC[NH+](CCOC(c3ccccc3)c3ccccc3)CC2)n1 ZINC001357278016 1067829525 /nfs/dbraw/zinc/82/95/25/1067829525.db2.gz CAZDTXYXVYDGBN-UHFFFAOYSA-N 1 2 459.590 4.433 20 0 JIADLO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)Cc2ccc(NC(=O)OC(C)(C)C)cn2)C[C@@H](C)O1 ZINC001357518103 1067862880 /nfs/dbraw/zinc/86/28/80/1067862880.db2.gz BAHIDUYRQAVFFC-QZTJIDSGSA-N 1 2 454.571 4.219 20 0 JIADLO CC(C)c1nc(C(=O)Nc2ccccc2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)nn1-c1ccccc1F ZINC001357519369 1067863568 /nfs/dbraw/zinc/86/35/68/1067863568.db2.gz QLNLIHNGGCTSHF-HDICACEKSA-N 1 2 451.546 4.391 20 0 JIADLO CC(C)c1nc(C(=O)Nc2ccccc2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)nn1-c1ccccc1F ZINC001357519369 1067863571 /nfs/dbraw/zinc/86/35/71/1067863571.db2.gz QLNLIHNGGCTSHF-HDICACEKSA-N 1 2 451.546 4.391 20 0 JIADLO COc1ccc(C[NH+]2CCN(c3nnc(C(C)C)n3Cc3ccnc(SC)c3)CC2)cc1F ZINC001300231296 1067913256 /nfs/dbraw/zinc/91/32/56/1067913256.db2.gz VNZRNICWRIZGOV-UHFFFAOYSA-N 1 2 470.618 4.037 20 0 JIADLO COc1ccc(C[NH+]2CCN(c3nnc(CC(C)C)n3C[C@@H]3CCCO[C@H]3C(C)C)CC2)cc1F ZINC001300232270 1067918382 /nfs/dbraw/zinc/91/83/82/1067918382.db2.gz QUJZJIMQVAKGGN-NVQXNPDNSA-N 1 2 487.664 4.398 20 0 JIADLO COc1ccc(F)cc1C[NH+]1CCN(c2nnc(CC(C)(C)C)n2C[C@]2(O)CCCC2(C)C)CC1 ZINC001300246906 1067977433 /nfs/dbraw/zinc/97/74/33/1067977433.db2.gz FOKVJDWAQQNIQE-HHHXNRCGSA-N 1 2 487.664 4.278 20 0 JIADLO COc1ccc(-c2nc(C(=O)N[C@H](c3ccc(Cl)cc3)[C@H]3C[N@H+](C)CCO3)cs2)cc1 ZINC001358071331 1068007557 /nfs/dbraw/zinc/00/75/57/1068007557.db2.gz DIUSPTMDLVHNAH-NHCUHLMSSA-N 1 2 457.983 4.274 20 0 JIADLO COc1ccc(-c2nc(C(=O)N[C@H](c3ccc(Cl)cc3)[C@H]3C[N@@H+](C)CCO3)cs2)cc1 ZINC001358071331 1068007572 /nfs/dbraw/zinc/00/75/72/1068007572.db2.gz DIUSPTMDLVHNAH-NHCUHLMSSA-N 1 2 457.983 4.274 20 0 JIADLO COC(=O)CC[C@@H]1CC[C@H](C(=O)N2CC[NH+](Cc3ccc(-c4cccc(Cl)c4)s3)CC2)O1 ZINC001358198661 1068042162 /nfs/dbraw/zinc/04/21/62/1068042162.db2.gz JJKWVIZOKUGAQS-PZJWPPBQSA-N 1 2 477.026 4.214 20 0 JIADLO O=C(Nc1ccccc1OCCn1cc[nH+]c1)c1ccc(Cn2ccc(C(F)(F)F)n2)cc1 ZINC001358329502 1068067810 /nfs/dbraw/zinc/06/78/10/1068067810.db2.gz UNLZBWWJHYAMQC-UHFFFAOYSA-N 1 2 455.440 4.478 20 0 JIADLO CSc1ccc([C@@H](CNC(=O)Nc2nc3nc(C)cc(C)n3n2)[N@@H+]2CCc3sccc3C2)cc1 ZINC000508050615 1068128194 /nfs/dbraw/zinc/12/81/94/1068128194.db2.gz AEOKWRVUHOBYHD-HXUWFJFHSA-N 1 2 493.662 4.446 20 0 JIADLO CSc1ccc([C@@H](CNC(=O)Nc2nc3nc(C)cc(C)n3n2)[N@H+]2CCc3sccc3C2)cc1 ZINC000508050615 1068128213 /nfs/dbraw/zinc/12/82/13/1068128213.db2.gz AEOKWRVUHOBYHD-HXUWFJFHSA-N 1 2 493.662 4.446 20 0 JIADLO Cc1sc2nc(C[NH+]3CCCC3)nc(Sc3nnc(NC[C@H]4CCCO4)s3)c2c1C ZINC000608361465 1068196802 /nfs/dbraw/zinc/19/68/02/1068196802.db2.gz RYHYPYNXRLQEBI-CQSZACIVSA-N 1 2 462.670 4.498 20 0 JIADLO O=S(=O)(c1ccc(NCCNc2cccc[nH+]2)nc1)N(Cc1ccccc1)Cc1ccccc1 ZINC000608389520 1068198234 /nfs/dbraw/zinc/19/82/34/1068198234.db2.gz DPFDBVIDCYTHAF-UHFFFAOYSA-N 1 2 473.602 4.392 20 0 JIADLO COc1ccc(CNC(=S)NC2CC[NH+](Cc3cc(F)cc(C(F)(F)F)c3)CC2)cc1 ZINC001200369637 1068271301 /nfs/dbraw/zinc/27/13/01/1068271301.db2.gz ZSXCCLOYGWYPJE-UHFFFAOYSA-N 1 2 455.521 4.482 20 0 JIADLO Cc1ccnc(C2CC[NH+](CC(=O)N(C)[C@]3(c4ccccc4Cl)CCCCC3=O)CC2)n1 ZINC001473828055 1068296437 /nfs/dbraw/zinc/29/64/37/1068296437.db2.gz QFHKLZWVBMGWRG-VWLOTQADSA-N 1 2 455.002 4.115 20 0 JIADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)c1ccc(CSc2ccc(Cl)cc2)cc1 ZINC000521316568 1068332164 /nfs/dbraw/zinc/33/21/64/1068332164.db2.gz UPHSGHSFFWDJDT-UHFFFAOYSA-N 1 2 456.999 4.413 20 0 JIADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)c1cc(F)ccc1-c1cccc(C(F)(F)F)c1 ZINC000521802114 1068335694 /nfs/dbraw/zinc/33/56/94/1068335694.db2.gz NDVZBTWRYFVZRN-UHFFFAOYSA-N 1 2 462.447 4.293 20 0 JIADLO Cc1nc(NCc2cccc(C(=O)N3CCN(c4ncc(C(F)(F)F)cc4Cl)CC3)c2)cc[nH+]1 ZINC000622277707 1068360007 /nfs/dbraw/zinc/36/00/07/1068360007.db2.gz ONYYZGNESHRUEI-UHFFFAOYSA-N 1 2 490.917 4.427 20 0 JIADLO COc1cc(Cl)c(C)cc1NC(=O)CCNC(=O)c1cccc(CNc2cc[nH+]c(C)n2)c1 ZINC000622409821 1068361997 /nfs/dbraw/zinc/36/19/97/1068361997.db2.gz SNLURUDUOXIHMD-UHFFFAOYSA-N 1 2 467.957 4.126 20 0 JIADLO CSc1ccc([C@@H](CNC(=O)[C@@H]2CCC(=O)N2C(C)C)[N@@H+]2CCc3sccc3C2)cc1 ZINC001353918864 1068751746 /nfs/dbraw/zinc/75/17/46/1068751746.db2.gz KJFVUJBYTCYXCI-LEWJYISDSA-N 1 2 457.665 4.085 20 0 JIADLO CSc1ccc([C@@H](CNC(=O)[C@@H]2CCC(=O)N2C(C)C)[N@H+]2CCc3sccc3C2)cc1 ZINC001353918864 1068751756 /nfs/dbraw/zinc/75/17/56/1068751756.db2.gz KJFVUJBYTCYXCI-LEWJYISDSA-N 1 2 457.665 4.085 20 0 JIADLO C[C@@H](Cc1cccs1)N(Cc1ccc(Cl)cc1)C(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001353966020 1068806178 /nfs/dbraw/zinc/80/61/78/1068806178.db2.gz RAIWHFLQFQUXNJ-ZEYPLWLESA-N 1 2 463.043 4.241 20 0 JIADLO COc1cccc(CNC(=S)NCc2c[nH+]cn2Cc2ccccc2C(F)(F)F)c1OC ZINC001200527687 1068826095 /nfs/dbraw/zinc/82/60/95/1068826095.db2.gz DHWDFZHJCWVQDS-UHFFFAOYSA-N 1 2 464.513 4.132 20 0 JIADLO COc1ccccc1-c1nnc(N2CCc3c(cc[nH+]c3N(C)C)C2)n1CCSC(C)C ZINC001300494739 1068862812 /nfs/dbraw/zinc/86/28/12/1068862812.db2.gz VDCIHXSZBFXYLW-UHFFFAOYSA-N 1 2 452.628 4.119 20 0 JIADLO C[C@@H](NC(=O)c1ncoc1-c1cccc(C(F)(F)F)c1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001354157683 1068938256 /nfs/dbraw/zinc/93/82/56/1068938256.db2.gz VGQWSOOKCAEMKE-UZLBHIALSA-N 1 2 459.468 4.380 20 0 JIADLO C[C@@H](NC(=O)c1ncoc1-c1cccc(C(F)(F)F)c1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001354157683 1068938268 /nfs/dbraw/zinc/93/82/68/1068938268.db2.gz VGQWSOOKCAEMKE-UZLBHIALSA-N 1 2 459.468 4.380 20 0 JIADLO COc1ccccc1Cc1nnc(N2CC[NH+](Cc3cnc(C)s3)CC2)n1CCC=C(C)C ZINC001300573654 1069090449 /nfs/dbraw/zinc/09/04/49/1069090449.db2.gz JZDOTKPFZYIQCA-UHFFFAOYSA-N 1 2 466.655 4.321 20 0 JIADLO CC(C)(C)OC(=O)N1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001300575358 1069097583 /nfs/dbraw/zinc/09/75/83/1069097583.db2.gz GOJGUGGYBGJUAC-DNQXCXABSA-N 1 2 478.568 4.463 20 0 JIADLO CSc1ccc([C@@H](CNC(=O)c2cn(C(C)(C)C)nn2)[N@@H+]2CCc3sccc3C2)cc1 ZINC001354346348 1069127854 /nfs/dbraw/zinc/12/78/54/1069127854.db2.gz BLKKSDPAVKBALG-HXUWFJFHSA-N 1 2 455.653 4.346 20 0 JIADLO CSc1ccc([C@@H](CNC(=O)c2cn(C(C)(C)C)nn2)[N@H+]2CCc3sccc3C2)cc1 ZINC001354346348 1069127863 /nfs/dbraw/zinc/12/78/63/1069127863.db2.gz BLKKSDPAVKBALG-HXUWFJFHSA-N 1 2 455.653 4.346 20 0 JIADLO CC(C)Cn1cc([C@H]2N(C(=O)[C@@H](c3ccccc3)[NH+]3CCSCC3)CC23CCOCC3)cn1 ZINC000849531338 1069136151 /nfs/dbraw/zinc/13/61/51/1069136151.db2.gz CENNDVAUCJNTSU-DNQXCXABSA-N 1 2 468.667 4.009 20 0 JIADLO COc1ccccc1O[C@H](C)Cn1c(CC(C)(C)C)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC001300618143 1069235004 /nfs/dbraw/zinc/23/50/04/1069235004.db2.gz ARELPUGZZJIMNX-HXUWFJFHSA-N 1 2 464.614 4.064 20 0 JIADLO COc1ccccc1O[C@@H](C)Cn1c(N2CCc3c(cc[nH+]c3N(C)C)C2)nnc1C(C)(C)C ZINC001300619611 1069239663 /nfs/dbraw/zinc/23/96/63/1069239663.db2.gz BSCKXZFZKULHCQ-SFHVURJKSA-N 1 2 464.614 4.075 20 0 JIADLO CCCCS(=O)(=O)Nc1ccc(NC(=O)N2CC[NH+]([C@@H](C)c3ccsc3)CC2)cc1 ZINC001200679534 1069262021 /nfs/dbraw/zinc/26/20/21/1069262021.db2.gz ZYLFTTXPGAUTEY-KRWDZBQOSA-N 1 2 450.630 4.201 20 0 JIADLO Cc1cc(NS(=O)(=O)c2cccc(C)c2F)n(CC2CC[NH+](Cc3ccccc3)CC2)n1 ZINC001200690250 1069292892 /nfs/dbraw/zinc/29/28/92/1069292892.db2.gz DWTZBIOVAGSPHL-UHFFFAOYSA-N 1 2 456.587 4.352 20 0 JIADLO COc1cc(C(F)(F)N2CCO[C@H](c3[nH+]cn4c3cccc4Br)C2)cc(Cl)n1 ZINC001164416703 718889966 /nfs/dbraw/zinc/88/99/66/718889966.db2.gz FSANZIDFYWZBNA-ZDUSSCGKSA-N 1 2 473.705 4.277 20 0 JIADLO FC(F)(COc1ccnc(Cl)c1)N1CCO[C@@H](c2[nH+]cn3c2cccc3Br)C1 ZINC001164417443 718890097 /nfs/dbraw/zinc/89/00/97/718890097.db2.gz KADROTNTMCBDQN-CQSZACIVSA-N 1 2 473.705 4.190 20 0 JIADLO FC(F)(c1cnc2c(Cl)ncnc2c1)N1CCO[C@H](c2[nH+]cn3c2cccc3Br)C1 ZINC001164418507 718890394 /nfs/dbraw/zinc/89/03/94/718890394.db2.gz OQLQVJHJOAOFFJ-AWEZNQCLSA-N 1 2 495.715 4.211 20 0 JIADLO CCOC(=O)c1sc2nc(C[NH+]3CCCCC3)nc(N3CC[C@H]4CCCO[C@@H]4C3)c2c1C ZINC001164421512 718902506 /nfs/dbraw/zinc/90/25/06/718902506.db2.gz STSYYBJZSDTRJM-QZTJIDSGSA-N 1 2 458.628 4.168 20 0 JIADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1cc(C(=O)OC)c(Cl)cn1)CC2 ZINC001164663424 719346249 /nfs/dbraw/zinc/34/62/49/719346249.db2.gz GMFJHHMRGSKUOF-UHFFFAOYSA-N 1 2 465.985 4.216 20 0 JIADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1cc(C(=O)OC)c(Cl)cn1)CC2 ZINC001164663424 719346252 /nfs/dbraw/zinc/34/62/52/719346252.db2.gz GMFJHHMRGSKUOF-UHFFFAOYSA-N 1 2 465.985 4.216 20 0 JIADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nc(Cl)nc3cnccc31)CC2 ZINC001164663377 719348093 /nfs/dbraw/zinc/34/80/93/719348093.db2.gz FPKQQGUXDQUNQD-UHFFFAOYSA-N 1 2 459.985 4.373 20 0 JIADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nc(Cl)nc3cnccc31)CC2 ZINC001164663377 719348098 /nfs/dbraw/zinc/34/80/98/719348098.db2.gz FPKQQGUXDQUNQD-UHFFFAOYSA-N 1 2 459.985 4.373 20 0 JIADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1cnc3ccc(OC)cc3n1)CC2 ZINC001164663104 719350269 /nfs/dbraw/zinc/35/02/69/719350269.db2.gz CSDFHRGAQTZJFI-UHFFFAOYSA-N 1 2 454.578 4.333 20 0 JIADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1cnc3ccc(OC)cc3n1)CC2 ZINC001164663104 719350273 /nfs/dbraw/zinc/35/02/73/719350273.db2.gz CSDFHRGAQTZJFI-UHFFFAOYSA-N 1 2 454.578 4.333 20 0 JIADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nccc(-c3cccnc3F)n1)CC2 ZINC001164658441 719352569 /nfs/dbraw/zinc/35/25/69/719352569.db2.gz HBBULRGRRGKISO-UHFFFAOYSA-N 1 2 469.568 4.372 20 0 JIADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nccc(-c3cccnc3F)n1)CC2 ZINC001164658441 719352572 /nfs/dbraw/zinc/35/25/72/719352572.db2.gz HBBULRGRRGKISO-UHFFFAOYSA-N 1 2 469.568 4.372 20 0 JIADLO O=C(c1cc(Cl)nc(N2CCC3(CC2)COCC[N@H+]3Cc2ccc(F)cc2)c1)N1CCCCC1 ZINC001164674424 719498299 /nfs/dbraw/zinc/49/82/99/719498299.db2.gz XBRHKNZENZSSRL-UHFFFAOYSA-N 1 2 487.019 4.372 20 0 JIADLO O=C(c1cc(Cl)nc(N2CCC3(CC2)COCC[N@@H+]3Cc2ccc(F)cc2)c1)N1CCCCC1 ZINC001164674424 719498307 /nfs/dbraw/zinc/49/83/07/719498307.db2.gz XBRHKNZENZSSRL-UHFFFAOYSA-N 1 2 487.019 4.372 20 0 JIADLO COc1ccc2nc(N3CCC4(CC3)COCC[N@@H+]4Cc3ccc(F)cc3)c(Cl)nc2c1 ZINC001164670983 719503465 /nfs/dbraw/zinc/50/34/65/719503465.db2.gz ASTVPXCYEFLAJM-UHFFFAOYSA-N 1 2 456.949 4.302 20 0 JIADLO COc1ccc2nc(N3CCC4(CC3)COCC[N@H+]4Cc3ccc(F)cc3)c(Cl)nc2c1 ZINC001164670983 719503475 /nfs/dbraw/zinc/50/34/75/719503475.db2.gz ASTVPXCYEFLAJM-UHFFFAOYSA-N 1 2 456.949 4.302 20 0 JIADLO CCOC(=O)c1cc2ccccc2nc1N1CCC2(CC1)COCC[N@@H+]2Cc1ccc(F)cc1 ZINC001164673409 719514370 /nfs/dbraw/zinc/51/43/70/719514370.db2.gz SKCRRNPDAVXUQF-UHFFFAOYSA-N 1 2 463.553 4.422 20 0 JIADLO CCOC(=O)c1cc2ccccc2nc1N1CCC2(CC1)COCC[N@H+]2Cc1ccc(F)cc1 ZINC001164673409 719514379 /nfs/dbraw/zinc/51/43/79/719514379.db2.gz SKCRRNPDAVXUQF-UHFFFAOYSA-N 1 2 463.553 4.422 20 0 JIADLO COc1ccc(C(F)(F)N2CCC3(CCn4c(-c5ccc(C(N)=O)cc5)c[nH+]c43)CC2)c(Cl)n1 ZINC001164695882 719829866 /nfs/dbraw/zinc/82/98/66/719829866.db2.gz GJOMPSIATKBHAI-UHFFFAOYSA-N 1 2 487.938 4.193 20 0 JIADLO CC(=O)NC[C@@H]1c2[nH+]cn(C(C)C)c2CCN1C(F)(F)c1ccc(Cl)nc1C(F)(F)F ZINC001164722819 720317228 /nfs/dbraw/zinc/31/72/28/720317228.db2.gz LXRFLUOJUFPHFY-CQSZACIVSA-N 1 2 465.854 4.316 20 0 JIADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4nc5c(C)ccc(F)c5cc4C)CC3)C2=O)cs1 ZINC001164819826 720373905 /nfs/dbraw/zinc/37/39/05/720373905.db2.gz IRABFDHVSYGALH-UHFFFAOYSA-N 1 2 467.614 4.069 20 0 JIADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4nc5c(C)ccc(F)c5cc4C)CC3)C2=O)cs1 ZINC001164819826 720373911 /nfs/dbraw/zinc/37/39/11/720373911.db2.gz IRABFDHVSYGALH-UHFFFAOYSA-N 1 2 467.614 4.069 20 0 JIADLO Cc1csc2c1nc(Cl)cc2N1CCC2(CC1)C(=O)N(Cc1csc(C)n1)CC[N@H+]2C ZINC001164821027 720375660 /nfs/dbraw/zinc/37/56/60/720375660.db2.gz WDLGVMPMZRVLSK-UHFFFAOYSA-N 1 2 476.071 4.336 20 0 JIADLO Cc1csc2c1nc(Cl)cc2N1CCC2(CC1)C(=O)N(Cc1csc(C)n1)CC[N@@H+]2C ZINC001164821027 720375663 /nfs/dbraw/zinc/37/56/63/720375663.db2.gz WDLGVMPMZRVLSK-UHFFFAOYSA-N 1 2 476.071 4.336 20 0 JIADLO CCOC(=O)c1sc2nc(C[NH+]3CCCCC3)nc(N3C[C@@H]4CCC[C@]4(COC)C3)c2c1C ZINC001164848690 720791327 /nfs/dbraw/zinc/79/13/27/720791327.db2.gz QOBMPNIWXOWBBK-AVRWGWEMSA-N 1 2 472.655 4.415 20 0 JIADLO Fc1cccc2c(Cl)nc(C(F)(F)N3CCC4(CC3)CN(c3cccc[nH+]3)CCO4)nc12 ZINC001164875999 721218754 /nfs/dbraw/zinc/21/87/54/721218754.db2.gz ZAFJESWPLUVLAV-UHFFFAOYSA-N 1 2 463.891 4.238 20 0 JIADLO O=C(c1cccnc1N1C[C@H]2CCC[C@]2(COc2ccccn2)C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC001164794504 721506489 /nfs/dbraw/zinc/50/64/89/721506489.db2.gz ADXANJSRPXUXFW-FYBSXPHGSA-N 1 2 497.643 4.120 20 0 JIADLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(c1ccc(-c3ccc(C4OCCCO4)cc3)cn1)C2 ZINC001165008922 721709681 /nfs/dbraw/zinc/70/96/81/721709681.db2.gz LFVCXCVPOVUCMD-UHFFFAOYSA-N 1 2 462.598 4.026 20 0 JIADLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(c1ccc(-c3ccc(C4OCCCO4)cc3)cn1)C2 ZINC001165008922 721709690 /nfs/dbraw/zinc/70/96/90/721709690.db2.gz LFVCXCVPOVUCMD-UHFFFAOYSA-N 1 2 462.598 4.026 20 0 JIADLO O=C(c1cccnc1N(Cc1cccnc1)Cc1ccccn1)N1CC[NH+](Cc2ccccc2)CC1 ZINC001165038379 721881332 /nfs/dbraw/zinc/88/13/32/721881332.db2.gz TUIDGJWLHPFRRL-UHFFFAOYSA-N 1 2 478.600 4.036 20 0 JIADLO Cc1ccc(N2C[C@]3(CCN(c4ncnc5c4C[N@H+](Cc4ccccc4)CC5)C3)CC2=O)s1 ZINC001164961089 722043674 /nfs/dbraw/zinc/04/36/74/722043674.db2.gz LQAMZOBJYBJNIY-AREMUKBSSA-N 1 2 459.619 4.038 20 0 JIADLO Cc1ccc(N2C[C@]3(CCN(c4ncnc5c4C[N@@H+](Cc4ccccc4)CC5)C3)CC2=O)s1 ZINC001164961089 722043678 /nfs/dbraw/zinc/04/36/78/722043678.db2.gz LQAMZOBJYBJNIY-AREMUKBSSA-N 1 2 459.619 4.038 20 0 JIADLO COc1ccccc1SCc1nnc(N2C[C@H](C)C[C@@H](C)C2)n1CC[N@@H+]1CCOCC1(C)C ZINC001300668906 1069395977 /nfs/dbraw/zinc/39/59/77/1069395977.db2.gz HRTUJYXLLOJZOQ-WOJBJXKFSA-N 1 2 473.687 4.172 20 0 JIADLO COc1ccccc1SCc1nnc(N2C[C@H](C)C[C@@H](C)C2)n1CC[N@H+]1CCOCC1(C)C ZINC001300668906 1069395995 /nfs/dbraw/zinc/39/59/95/1069395995.db2.gz HRTUJYXLLOJZOQ-WOJBJXKFSA-N 1 2 473.687 4.172 20 0 JIADLO CC(=O)N1CC[C@H](CN(C)c2nnc(-c3ccc(Cl)cc3F)n2CCCc2cccc(C)[nH+]2)C1 ZINC001359358344 1069450917 /nfs/dbraw/zinc/45/09/17/1069450917.db2.gz YJSRTWJQQIJHGK-LJQANCHMSA-N 1 2 485.007 4.378 20 0 JIADLO CC(=O)N1CCCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2CCCNc2cccc[nH+]2)CC1 ZINC001359374339 1069479184 /nfs/dbraw/zinc/47/91/84/1069479184.db2.gz ZJIUKTMOGIOMAK-LJQANCHMSA-N 1 2 498.031 4.027 20 0 JIADLO CC(C)(C)c1nnc(N2CCO[C@@](C)(C(C)(C)C)C2)n1C[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC001359516812 1069803181 /nfs/dbraw/zinc/80/31/81/1069803181.db2.gz IVUDAZJURGYLHH-WXVAWEFUSA-N 1 2 469.674 4.291 20 0 JIADLO CC(C)(C)Cc1nnc(N2CC[NH+](CCOc3ccccc3Cl)CC2)n1C[C@H]1CC=CCO1 ZINC001359541033 1069838417 /nfs/dbraw/zinc/83/84/17/1069838417.db2.gz ODEZFXKSVQBCMD-HXUWFJFHSA-N 1 2 474.049 4.066 20 0 JIADLO CC(C)(C)Cc1nnc(N2CC[NH+](CCOc3ccccc3Cl)CC2)n1[C@@H]1C[C@H]1CF ZINC001359541379 1069838983 /nfs/dbraw/zinc/83/89/83/1069838983.db2.gz XZRUVKWLBNCSIU-PKOBYXMFSA-N 1 2 450.002 4.252 20 0 JIADLO CC(C)(C)O[C@H]1CCCN(c2nnc(C(C)(C)C)n2C[C@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC001359579948 1070000578 /nfs/dbraw/zinc/00/05/78/1070000578.db2.gz XOOSCYPDMNNAIK-XZOQPEGZSA-N 1 2 469.674 4.261 20 0 JIADLO CC(C)(C)O[C@H]1CCCN(c2nnc(C(C)(C)C)n2C[C@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC001359579948 1070000594 /nfs/dbraw/zinc/00/05/94/1070000594.db2.gz XOOSCYPDMNNAIK-XZOQPEGZSA-N 1 2 469.674 4.261 20 0 JIADLO CC(C)c1nnc(N(C)C[C@H](c2cccs2)[NH+]2CCOCC2)n1C[C@](C)(O)c1ccc(F)cc1 ZINC001359679642 1070334916 /nfs/dbraw/zinc/33/49/16/1070334916.db2.gz OROZYQPVFGTDNG-BWKNWUBXSA-N 1 2 487.645 4.020 20 0 JIADLO CC(C)c1nnc(N(C)C[C@@H](c2cccs2)[NH+]2CCOCC2)n1C[C@](C)(O)c1ccc(F)cc1 ZINC001359679643 1070335290 /nfs/dbraw/zinc/33/52/90/1070335290.db2.gz OROZYQPVFGTDNG-OFVILXPXSA-N 1 2 487.645 4.020 20 0 JIADLO CC(C)c1nnc(N2CC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C2)n1Cc1ccccc1-n1cc[nH+]c1 ZINC001359691908 1070350530 /nfs/dbraw/zinc/35/05/30/1070350530.db2.gz BGRRWDZIWVFKOQ-VQTJNVASSA-N 1 2 479.629 4.375 20 0 JIADLO COc1ccc(F)cc1C[NH+]1CCN(c2nnc(C(C)(C)C)n2CC2(OC)CCCC2)CC1 ZINC001315515301 1064461418 /nfs/dbraw/zinc/46/14/18/1064461418.db2.gz KQFLYMLQJGDDNE-UHFFFAOYSA-N 1 2 459.610 4.005 20 0 JIADLO COc1ccc(F)cc1C[NH+]1CCN(c2nnc(CC(C)C)n2CCSCC(F)(F)F)CC1 ZINC001315515501 1064462411 /nfs/dbraw/zinc/46/24/11/1064462411.db2.gz OMKFBSJELHFDMS-UHFFFAOYSA-N 1 2 489.583 4.242 20 0 JIADLO COc1ccc(OCCN(C)c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2Cc2c[nH+]ccc2OC)cc1 ZINC001315539115 1064534220 /nfs/dbraw/zinc/53/42/20/1064534220.db2.gz NGWJCGAQOLWKJP-ISKFKSNPSA-N 1 2 495.624 4.172 20 0 JIADLO COc1ccccc1-c1nnc(N2CCN(c3cccc[nH+]3)CC2)n1CC(C)(C)C(F)(F)F ZINC001315606876 1064723971 /nfs/dbraw/zinc/72/39/71/1064723971.db2.gz MTEZKMIMTZUARU-UHFFFAOYSA-N 1 2 460.504 4.264 20 0 JIADLO COc1ccccc1C[C@@H](C)N(C)c1nnc([C@@H]2CCCCO2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001315612290 1064733189 /nfs/dbraw/zinc/73/31/89/1064733189.db2.gz GKSHQGSPBROZOL-XXBNENTESA-N 1 2 464.614 4.105 20 0 JIADLO COc1ccccc1C[C@@H](C)N(C)c1nnc([C@H]2CCCCO2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001315612287 1064733258 /nfs/dbraw/zinc/73/32/58/1064733258.db2.gz GKSHQGSPBROZOL-AUSIDOKSSA-N 1 2 464.614 4.105 20 0 JIADLO COc1ccccc1SCc1nnc(N2C[C@@H](C)CC[C@H]2C)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001315662522 1064865974 /nfs/dbraw/zinc/86/59/74/1064865974.db2.gz QVLRXERJJLKXKI-VQTJNVASSA-N 1 2 473.687 4.315 20 0 JIADLO COc1ccccc1SCc1nnc(N2C[C@@H](C)CC[C@H]2C)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001315662522 1064865978 /nfs/dbraw/zinc/86/59/78/1064865978.db2.gz QVLRXERJJLKXKI-VQTJNVASSA-N 1 2 473.687 4.315 20 0 JIADLO COc1cc[nH+]cc1Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCCC[C@H](SC)C1 ZINC001315670041 1064898595 /nfs/dbraw/zinc/89/85/95/1064898595.db2.gz GQIYTGMTWKZVCL-NRFANRHFSA-N 1 2 480.638 4.321 20 0 JIADLO COc1cc[nH+]cc1Cn1c(Cc2ccncc2)nnc1N(C)Cc1ccc(SC)c(OC)c1 ZINC001315672686 1064903146 /nfs/dbraw/zinc/90/31/46/1064903146.db2.gz XUGICAMBIYSTDA-UHFFFAOYSA-N 1 2 476.606 4.083 20 0 JIADLO COc1cc[nH+]cc1Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CC[C@H](C(C)(C)C)C1 ZINC001315672961 1064904462 /nfs/dbraw/zinc/90/44/62/1064904462.db2.gz RUSZYQOJDRMIJP-YSIASYRMSA-N 1 2 484.645 4.373 20 0 JIADLO COc1cc[nH+]cc1Cn1c(COc2ccc(Br)cc2)nnc1N(C)Cc1ccoc1 ZINC001315673257 1064905804 /nfs/dbraw/zinc/90/58/04/1064905804.db2.gz WZBHYDJRHCJJSC-UHFFFAOYSA-N 1 2 484.354 4.301 20 0 JIADLO CO[C@H]1CN(c2nnc(-c3cccc(Br)c3)n2Cc2ccc(N(C)C)[nH+]c2)CC[C@@H]1C ZINC001315711748 1064990170 /nfs/dbraw/zinc/99/01/70/1064990170.db2.gz GEJLRBPOIJSGEF-JXFKEZNVSA-N 1 2 485.430 4.078 20 0 JIADLO COC[C@H](C)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CC[C@H]([NH+]2CCN(C(C)C)CC2)C1 ZINC001315781430 1065112657 /nfs/dbraw/zinc/11/26/57/1065112657.db2.gz KLDQWQSVMHYFCC-QUCCMNQESA-N 1 2 495.499 4.139 20 0 JIADLO COCC1(C)CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2CC[N@@H+]2CCOC[C@@H]2C)CC1 ZINC001315828276 1065186385 /nfs/dbraw/zinc/18/63/85/1065186385.db2.gz LBFMXPKGRGORGH-GMAHTHKFSA-N 1 2 485.673 4.009 20 0 JIADLO COCC1(C)CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2CC[N@H+]2CCOC[C@@H]2C)CC1 ZINC001315828276 1065186396 /nfs/dbraw/zinc/18/63/96/1065186396.db2.gz LBFMXPKGRGORGH-GMAHTHKFSA-N 1 2 485.673 4.009 20 0 JIADLO COC[C@H]1CCCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@H](c2c(F)cccc2F)[NH+](C)C)C1 ZINC001315890171 1065346710 /nfs/dbraw/zinc/34/67/10/1065346710.db2.gz IAGHUXOXMDAAPG-OXJNMPFZSA-N 1 2 490.986 4.437 20 0 JIADLO COCC1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CCCc2cccc(C)[nH+]2)CC1 ZINC001315909453 1065401117 /nfs/dbraw/zinc/40/11/17/1065401117.db2.gz PMAOCBKNPFQUGC-UHFFFAOYSA-N 1 2 465.598 4.161 20 0 JIADLO COCC[C@@H]1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2Cc2c[nH+]ccc2OC)C1 ZINC001316002855 1065586733 /nfs/dbraw/zinc/58/67/33/1065586733.db2.gz NDVDHBGEFPQOTB-FQEVSTJZSA-N 1 2 479.625 4.469 20 0 JIADLO COCCN(c1nnc(-c2ccc(Cl)nc2)n1Cc1ccc(N(C)C)[nH+]c1)[C@H]1CC[C@H](C)C1 ZINC001316079463 1065723999 /nfs/dbraw/zinc/72/39/99/1065723999.db2.gz MOORQTAXAMJZCZ-PXNSSMCTSA-N 1 2 470.021 4.144 20 0 JIADLO COCCn1c(-c2ccc(Br)s2)nnc1N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC001316106630 1065774817 /nfs/dbraw/zinc/77/48/17/1065774817.db2.gz LPBQRSZLSQUYND-UHFFFAOYSA-N 1 2 496.862 4.391 20 0 JIADLO COC[C@@H]1CCO[C@@H]1c1nnc(N(C)CCC(F)(F)F)n1Cc1ccc(N2CCC(C)CC2)[nH+]c1 ZINC001316274303 1066023878 /nfs/dbraw/zinc/02/38/78/1066023878.db2.gz DCVSCZYBJWBHLI-FPOVZHCZSA-N 1 2 496.578 4.070 20 0 JIADLO CS[C@@H](Cn1c(-c2ccc[nH]2)nnc1N1CC[NH+](Cc2cnc(C)s2)CC1)C(C)(C)C ZINC001316395234 1066171432 /nfs/dbraw/zinc/17/14/32/1066171432.db2.gz FYQWEOAILLYIKZ-IBGZPJMESA-N 1 2 459.689 4.138 20 0 JIADLO CS[C@@H](Cn1c(CSc2ccc(C)cc2)nnc1N(C)CC[NH+]1CCOCC1)C(C)(C)C ZINC001316398160 1066175931 /nfs/dbraw/zinc/17/59/31/1066175931.db2.gz GYDGCWKITZCMFU-NRFANRHFSA-N 1 2 477.744 4.425 20 0 JIADLO CSc1ccc(F)cc1Cn1c(CC(C)C)nnc1N1CCc2c(cc[nH+]c2N(C)C)C1 ZINC001316423019 1066233382 /nfs/dbraw/zinc/23/33/82/1066233382.db2.gz ZFCFTOIULJWGIJ-UHFFFAOYSA-N 1 2 454.619 4.410 20 0 JIADLO CC(C)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccc2nc(C[NH+]3CCCCC3)[nH]c2c1 ZINC001325967851 1066276571 /nfs/dbraw/zinc/27/65/71/1066276571.db2.gz BLRNEXGUYDVTPA-RUZDIDTESA-N 1 2 486.620 4.352 20 0 JIADLO COc1cccc(-n2c(C)nnc2SCC(=O)Nc2ccc3nc(C[NH+]4CCCCC4)[nH]c3c2)c1 ZINC001325992186 1066278592 /nfs/dbraw/zinc/27/85/92/1066278592.db2.gz NKBMWAUERPBJEB-UHFFFAOYSA-N 1 2 491.621 4.177 20 0 JIADLO Cc1cccc(CCCn2c(-c3cccc(OC(F)F)c3)nnc2N2C[C@@H](C)O[C@@H](C)C2)[nH+]1 ZINC001492525257 1066403725 /nfs/dbraw/zinc/40/37/25/1066403725.db2.gz OCISIYUVIFTPSN-HDICACEKSA-N 1 2 457.525 4.496 20 0 JIADLO Cc1ccc(-c2nnc(N3CCC[C@@H](CNC(=O)C(C)C)C3)n2CCCc2cccc(C)[nH+]2)o1 ZINC001492525263 1066404698 /nfs/dbraw/zinc/40/46/98/1066404698.db2.gz OCVLUMIUHCATAC-NRFANRHFSA-N 1 2 464.614 4.171 20 0 JIADLO Cc1cccc(CCCn2c(-c3cccnc3)nnc2N(C)CC(=O)Nc2cccc(C)c2C)[nH+]1 ZINC001492525621 1066405830 /nfs/dbraw/zinc/40/58/30/1066405830.db2.gz FYSCAULWSVNLAN-UHFFFAOYSA-N 1 2 469.593 4.368 20 0 JIADLO Cc1cccc(CCCn2c(-c3ccc(Cl)cc3)nnc2N(C)[C@H](C)[C@H](C)S(C)(=O)=O)[nH+]1 ZINC001492525675 1066406809 /nfs/dbraw/zinc/40/68/09/1066406809.db2.gz VNJAZXHSZGYPNQ-MSOLQXFVSA-N 1 2 476.046 4.193 20 0 JIADLO Cc1cccc(CCCn2c(-c3ccc(Cl)cc3Cl)nnc2N2CCN(C)C(=O)[C@@H]2C)[nH+]1 ZINC001492526355 1066415392 /nfs/dbraw/zinc/41/53/92/1066415392.db2.gz VNTKRFONGNYGLG-INIZCTEOSA-N 1 2 473.408 4.255 20 0 JIADLO Cc1cccc(CCCn2c(CC(C)C)nnc2N2CCC(Oc3cncc(Cl)n3)CC2)[nH+]1 ZINC001492526770 1066416574 /nfs/dbraw/zinc/41/65/74/1066416574.db2.gz LCPIOBUEYQHODK-UHFFFAOYSA-N 1 2 470.021 4.304 20 0 JIADLO Cc1cccc(CCCn2c(CC3CC3)nnc2N(C)C2CCN(C(=O)OC(C)(C)C)CC2)[nH+]1 ZINC001492526868 1066417279 /nfs/dbraw/zinc/41/72/79/1066417279.db2.gz OBCLDTHVAINZRU-UHFFFAOYSA-N 1 2 468.646 4.403 20 0 JIADLO Cc1cccc(CCCn2c(Cc3ccsc3)nnc2N2CCC[C@@H](NC(=O)C(C)(C)C)C2)[nH+]1 ZINC001492526809 1066417755 /nfs/dbraw/zinc/41/77/55/1066417755.db2.gz MKXRVYCGPGPLIQ-JOCHJYFZSA-N 1 2 480.682 4.398 20 0 JIADLO Cc1cccc(CCCn2c(CNC(=O)c3cccs3)nnc2N2CC[C@H](C(C)(C)C)C2)[nH+]1 ZINC001492526841 1066417804 /nfs/dbraw/zinc/41/78/04/1066417804.db2.gz NFZYUFDPTYLXRA-IBGZPJMESA-N 1 2 466.655 4.478 20 0 JIADLO Cc1cccc(CCCn2c(CC3CC3)nnc2N2CCC[C@@H](CNC(=O)OC(C)(C)C)C2)[nH+]1 ZINC001492526920 1066418892 /nfs/dbraw/zinc/41/88/92/1066418892.db2.gz PVTZMQDUNNNXLT-NRFANRHFSA-N 1 2 468.646 4.308 20 0 JIADLO Cc1cccc(CCCn2c(CC3CCCC3)nnc2N2CCN(CC(C)C)C(=O)[C@H]2C)[nH+]1 ZINC001492527374 1066420994 /nfs/dbraw/zinc/42/09/94/1066420994.db2.gz ZUWRCLTUWHFLII-OAQYLSRUSA-N 1 2 452.647 4.040 20 0 JIADLO Cc1cccc(CCCn2c(N3CCC=C(Br)C3)nnc2[C@]2(OC(C)C)CCOC2)[nH+]1 ZINC001492527479 1066422291 /nfs/dbraw/zinc/42/22/91/1066422291.db2.gz IXUDMVGLAVTJNE-QHCPKHFHSA-N 1 2 490.446 4.144 20 0 JIADLO CC(C)CCn1c2nn(C[N@@H+]3CCCN4c5ccccc5C[C@@H]4C3)c(=S)n2c2ccccc2c1=O ZINC001336688406 1066441874 /nfs/dbraw/zinc/44/18/74/1066441874.db2.gz FKKDMRBUXYRFDQ-OAQYLSRUSA-N 1 2 488.661 4.321 20 0 JIADLO CC(C)CCn1c2nn(C[N@H+]3CCCN4c5ccccc5C[C@@H]4C3)c(=S)n2c2ccccc2c1=O ZINC001336688406 1066441889 /nfs/dbraw/zinc/44/18/89/1066441889.db2.gz FKKDMRBUXYRFDQ-OAQYLSRUSA-N 1 2 488.661 4.321 20 0 JIADLO Fc1ccc(-c2nn(C[N@@H+]3CC[C@@H]4CCCC[C@H]4C3)c(=S)n2CCN2CCOCC2)cc1 ZINC001337047582 1066455362 /nfs/dbraw/zinc/45/53/62/1066455362.db2.gz WLLNKBBVXXSDPU-FPOVZHCZSA-N 1 2 459.635 4.022 20 0 JIADLO Fc1ccc(-c2nn(C[N@H+]3CC[C@@H]4CCCC[C@H]4C3)c(=S)n2CCN2CCOCC2)cc1 ZINC001337047582 1066455368 /nfs/dbraw/zinc/45/53/68/1066455368.db2.gz WLLNKBBVXXSDPU-FPOVZHCZSA-N 1 2 459.635 4.022 20 0 JIADLO FC(F)C(F)(F)COCCn1c(-c2ccccc2Cl)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC001316517033 1066515934 /nfs/dbraw/zinc/51/59/34/1066515934.db2.gz RWASGSOZYQJUBT-UHFFFAOYSA-N 1 2 498.912 4.237 20 0 JIADLO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)NCc2ccc(-n3cnc4ccccc43)nc2)C[C@H](C)O1 ZINC001338029264 1066526240 /nfs/dbraw/zinc/52/62/40/1066526240.db2.gz XVPSEPOGVORZSU-BGYRXZFFSA-N 1 2 470.577 4.351 20 0 JIADLO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)NCc2ccc(-n3cnc4ccccc43)nc2)C[C@H](C)O1 ZINC001338029264 1066526248 /nfs/dbraw/zinc/52/62/48/1066526248.db2.gz XVPSEPOGVORZSU-BGYRXZFFSA-N 1 2 470.577 4.351 20 0 JIADLO O=C(O[C@@H](Cn1cc[nH+]c1)c1ccc(Cl)cc1Cl)c1cccc(S(=O)(=O)NC2CC2)c1 ZINC001346315268 1066659645 /nfs/dbraw/zinc/65/96/45/1066659645.db2.gz YPWUGSDBHFURHI-FQEVSTJZSA-N 1 2 480.373 4.229 20 0 JIADLO O=C(Nc1cccc(C[NH+]2CCCC2)c1)c1ccc2c(c1)[nH]c(=S)n(Cc1ccco1)c2=O ZINC001317804086 1066698655 /nfs/dbraw/zinc/69/86/55/1066698655.db2.gz VCJZZSRNSSLUKT-UHFFFAOYSA-N 1 2 460.559 4.175 20 0 JIADLO O=C(c1cc(C(F)(F)F)ncn1)N1CC[NH+](Cc2ccc(-c3ccccc3F)s2)CC1 ZINC001348921713 1066789968 /nfs/dbraw/zinc/78/99/68/1066789968.db2.gz IMNVSIMQXNALAM-UHFFFAOYSA-N 1 2 450.461 4.321 20 0 JIADLO CC(C)Oc1ccc(-c2nc(C(=O)NC[C@H]3C[N@H+](Cc4ccccc4)CCO3)cs2)cc1 ZINC001349103151 1066808613 /nfs/dbraw/zinc/80/86/13/1066808613.db2.gz VCQDWDUYAOLFPC-QFIPXVFZSA-N 1 2 451.592 4.228 20 0 JIADLO CC(C)Oc1ccc(-c2nc(C(=O)NC[C@H]3C[N@@H+](Cc4ccccc4)CCO3)cs2)cc1 ZINC001349103151 1066808617 /nfs/dbraw/zinc/80/86/17/1066808617.db2.gz VCQDWDUYAOLFPC-QFIPXVFZSA-N 1 2 451.592 4.228 20 0 JIADLO Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)[C@H](c1cccc(Cl)c1)[NH+](C)C ZINC001349164314 1066816210 /nfs/dbraw/zinc/81/62/10/1066816210.db2.gz CTINDZDKRCMCNI-NRFANRHFSA-N 1 2 450.004 4.064 20 0 JIADLO O=C(c1cnc2scc(-c3ccccc3)n2c1=O)N1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC001318066161 1066881882 /nfs/dbraw/zinc/88/18/82/1066881882.db2.gz RBSKSOURRUIIRH-UHFFFAOYSA-N 1 2 498.530 4.400 20 0 JIADLO CCN(C[C@@H]1COc2ccccc2O1)C(=O)[C@@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC001349830935 1066887384 /nfs/dbraw/zinc/88/73/84/1066887384.db2.gz BFCPMBKSBJDBKV-DENIHFKCSA-N 1 2 459.384 4.275 20 0 JIADLO O=C(NC[C@H]1C[N@H+](Cc2ccccc2)CCO1)c1cc(Br)cc(C(F)(F)F)c1 ZINC001350082104 1066913937 /nfs/dbraw/zinc/91/39/37/1066913937.db2.gz DHZRFWBBSLACDZ-SFHVURJKSA-N 1 2 457.290 4.099 20 0 JIADLO O=C(NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1)c1cc(Br)cc(C(F)(F)F)c1 ZINC001350082104 1066913951 /nfs/dbraw/zinc/91/39/51/1066913951.db2.gz DHZRFWBBSLACDZ-SFHVURJKSA-N 1 2 457.290 4.099 20 0 JIADLO C[C@@H](c1cccc(NC(=O)NCc2ccc(-n3cnc4ccccc43)nc2)c1)[NH+]1CCOCC1 ZINC001318294539 1067005747 /nfs/dbraw/zinc/00/57/47/1067005747.db2.gz CWIHTAUMOWDQMJ-IBGZPJMESA-N 1 2 456.550 4.135 20 0 JIADLO O=C(C[NH+]1CCC([C@H]2C(=O)Nc3ccccc32)CC1)N1N=C(c2ccco2)C[C@@H]1c1cccs1 ZINC001318338250 1067022927 /nfs/dbraw/zinc/02/29/27/1067022927.db2.gz OHOYZNWKNZYWML-PXDATVDWSA-N 1 2 474.586 4.467 20 0 JIADLO COc1cc[nH+]cc1Cn1c(-c2ccccc2Br)nnc1N1CC[C@H](OCC(C)C)C1 ZINC001300692158 1067041425 /nfs/dbraw/zinc/04/14/25/1067041425.db2.gz ASBTXTRBZVYTTJ-SFHVURJKSA-N 1 2 486.414 4.411 20 0 JIADLO COc1cc[nH+]cc1Cn1c(-c2ccccc2C)nnc1N1CCC(C(=O)N[C@H](C)C(C)C)CC1 ZINC001300692148 1067041551 /nfs/dbraw/zinc/04/15/51/1067041551.db2.gz AKLGTDXNLDEOAN-HXUWFJFHSA-N 1 2 476.625 4.083 20 0 JIADLO COc1cc[nH+]cc1Cn1c(-c2ccccc2Cl)nnc1N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC001300692581 1067042137 /nfs/dbraw/zinc/04/21/37/1067042137.db2.gz IVALKQYCPQBIGH-QGZVFWFLSA-N 1 2 499.015 4.496 20 0 JIADLO COc1cc[nH+]cc1Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCN(CC(F)(F)F)CC1 ZINC001300692882 1067042389 /nfs/dbraw/zinc/04/23/89/1067042389.db2.gz CFCNUTKRKSXJIA-UHFFFAOYSA-N 1 2 488.558 4.379 20 0 JIADLO COc1cc[nH+]cc1Cn1c(-c2ccc(Cl)cc2OC)nnc1N(C)CCOC(C)(C)C ZINC001300693406 1067044618 /nfs/dbraw/zinc/04/46/18/1067044618.db2.gz GHLNCDMRBIMXOS-UHFFFAOYSA-N 1 2 459.978 4.310 20 0 JIADLO COc1cc[nH+]cc1Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N(C)[C@@H]1CCSC1 ZINC001300693638 1067045948 /nfs/dbraw/zinc/04/59/48/1067045948.db2.gz IKVUBEJDUIKFGD-MAUKXSAKSA-N 1 2 460.003 4.465 20 0 JIADLO Cn1nc(C(F)(F)F)cc1C(=O)N1CC[NH+](Cc2ccc(-c3cccc(F)c3)s2)CC1 ZINC001354693754 1067046590 /nfs/dbraw/zinc/04/65/90/1067046590.db2.gz PXVMYYAAPRDXPF-UHFFFAOYSA-N 1 2 452.477 4.265 20 0 JIADLO COc1cc[nH+]cc1Cn1c(-c2ccc(C)o2)nnc1N1CCC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC001300693963 1067047287 /nfs/dbraw/zinc/04/72/87/1067047287.db2.gz LYXAGNJUQKIKMH-MOPGFXCFSA-N 1 2 496.612 4.428 20 0 JIADLO COc1cc[nH+]cc1Cn1c(N(C)Cc2cccc(Cl)c2)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001300701635 1067062150 /nfs/dbraw/zinc/06/21/50/1067062150.db2.gz DNKHRBCAPIYPSL-XMMPIXPASA-N 1 2 471.989 4.060 20 0 JIADLO COc1cc[nH+]cc1Cn1c(CSc2ccc(Cl)cc2)nnc1N1CCOC(C)(C)C1 ZINC001300701765 1067062491 /nfs/dbraw/zinc/06/24/91/1067062491.db2.gz GWYPJGWVLWHTFL-UHFFFAOYSA-N 1 2 460.003 4.291 20 0 JIADLO COc1cc[nH+]cc1Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCC(C)=C(C)C1 ZINC001300702886 1067066603 /nfs/dbraw/zinc/06/66/03/1067066603.db2.gz XZZZNUKNHCGAQO-FQEVSTJZSA-N 1 2 468.602 4.349 20 0 JIADLO COc1cc[nH+]cc1Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@@H](C)CC1 ZINC001300703025 1067067584 /nfs/dbraw/zinc/06/75/84/1067067584.db2.gz ZDPJIMKQJWTTBJ-QUCCMNQESA-N 1 2 470.618 4.428 20 0 JIADLO COc1cc[nH+]cc1Cn1c(COc2ccccc2OC)nnc1N1CCCC[C@H](SC)C1 ZINC001300703028 1067067819 /nfs/dbraw/zinc/06/78/19/1067067819.db2.gz ZFEIVNGJKNSIPF-IBGZPJMESA-N 1 2 469.611 4.040 20 0 JIADLO O=C(CCSc1ccnc2cc(Cl)ccc21)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001351352430 1067082098 /nfs/dbraw/zinc/08/20/98/1067082098.db2.gz FBOFFMWLKLGQCZ-HXUWFJFHSA-N 1 2 456.011 4.388 20 0 JIADLO O=C(CCSc1ccnc2cc(Cl)ccc21)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001351352430 1067082112 /nfs/dbraw/zinc/08/21/12/1067082112.db2.gz FBOFFMWLKLGQCZ-HXUWFJFHSA-N 1 2 456.011 4.388 20 0 JIADLO Cc1cc(NC(=O)[C@@H](C)SCC(=O)NCc2ccccc2-c2ccc(Cn3cc[nH+]c3)cc2)no1 ZINC000504771048 1067082208 /nfs/dbraw/zinc/08/22/08/1067082208.db2.gz ZWONKBQPHZOELA-LJQANCHMSA-N 1 2 489.601 4.271 20 0 JIADLO CC(C)(C)OC(=O)NC[C@@H]1CCC[N@H+](CC(=O)N(CC(F)(F)F)c2ccc(Cl)cc2)C1 ZINC001321140158 1067099347 /nfs/dbraw/zinc/09/93/47/1067099347.db2.gz SGOGUXSHIHWMKH-HNNXBMFYSA-N 1 2 463.928 4.472 20 0 JIADLO CC(C)(C)OC(=O)NC[C@@H]1CCC[N@@H+](CC(=O)N(CC(F)(F)F)c2ccc(Cl)cc2)C1 ZINC001321140158 1067099369 /nfs/dbraw/zinc/09/93/69/1067099369.db2.gz SGOGUXSHIHWMKH-HNNXBMFYSA-N 1 2 463.928 4.472 20 0 JIADLO O=C(Nc1cccc(C[NH+]2CCOCC2)c1)c1cc(Br)ccc1Br ZINC001351696051 1067170680 /nfs/dbraw/zinc/17/06/80/1067170680.db2.gz JPJAWKADVRKKNG-UHFFFAOYSA-N 1 2 454.162 4.296 20 0 JIADLO C[C@H](c1cccc(NC(=O)NCc2ccccc2CNC(=O)OC(C)(C)C)c1)[NH+]1CCOCC1 ZINC001321589764 1067173401 /nfs/dbraw/zinc/17/34/01/1067173401.db2.gz NOTUEPQNQSONCO-LJQANCHMSA-N 1 2 468.598 4.426 20 0 JIADLO Cc1cccc(S(=O)(=O)Nc2ccc(C(=O)N3CC[NH+](C4CCCCC4)CC3)cc2)c1F ZINC001200798975 1067179166 /nfs/dbraw/zinc/17/91/66/1067179166.db2.gz PLYXDNYLIVTRPU-UHFFFAOYSA-N 1 2 459.587 4.025 20 0 JIADLO CSc1cccc(N2C[C@@H](C(=O)Nc3ccc4nc(C[NH+]5CCCCC5)[nH]c4c3)CC2=O)c1 ZINC001322392578 1067285993 /nfs/dbraw/zinc/28/59/93/1067285993.db2.gz IKDVOTZPPXDGIX-KRWDZBQOSA-N 1 2 463.607 4.262 20 0 JIADLO CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2ccc3nc(C[NH+]4CCCCC4)[nH]c3c2)ccc1C ZINC001322403686 1067286711 /nfs/dbraw/zinc/28/67/11/1067286711.db2.gz GVDMAEZBRLWTRW-UHFFFAOYSA-N 1 2 483.638 4.140 20 0 JIADLO C[C@@H](SCC(=O)Nc1ccc(F)cc1)C(=O)Nc1ccc2nc(C[NH+]3CCCCC3)[nH]c2c1 ZINC001322404906 1067287173 /nfs/dbraw/zinc/28/71/73/1067287173.db2.gz SEGXYKCSDYASBA-MRXNPFEDSA-N 1 2 469.586 4.387 20 0 JIADLO COc1ccc(-c2nnc(N(C)CCC(F)F)n2Cc2c[nH+]ccc2OC)cc1Br ZINC001300011956 1067365403 /nfs/dbraw/zinc/36/54/03/1067365403.db2.gz OUICTFQVRPBIPY-UHFFFAOYSA-N 1 2 482.329 4.260 20 0 JIADLO CO[C@H]1CN(c2nnc(-c3cc(Br)c[nH]3)n2CCCc2cccc(C)[nH+]2)CC[C@@H]1C ZINC001300793430 1067365394 /nfs/dbraw/zinc/36/53/94/1067365394.db2.gz FXVMMIOJEFZDPD-YWZLYKJASA-N 1 2 473.419 4.233 20 0 JIADLO CC[NH+](CC)Cc1nc(C2(NC(=O)CS[C@@H](C)c3nc4ccccc4[nH]3)CCCC2)no1 ZINC001355404686 1067450658 /nfs/dbraw/zinc/45/06/58/1067450658.db2.gz JFAUIEWCOJJZHV-INIZCTEOSA-N 1 2 456.616 4.168 20 0 JIADLO CC(C)(C)OC(=O)N1CC[C@@H]2CCCC[C@H]2[C@@H]1C(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC001355479806 1067482839 /nfs/dbraw/zinc/48/28/39/1067482839.db2.gz JSBGZXIAONKAPR-YTFSRNRJSA-N 1 2 452.599 4.363 20 0 JIADLO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)C(F)(F)c2ncccc2Br)C[C@@H](C)O1 ZINC001355720198 1067562891 /nfs/dbraw/zinc/56/28/91/1067562891.db2.gz JXZMWBRRYFLAKV-ZIAGYGMSSA-N 1 2 454.315 4.184 20 0 JIADLO O=C(Cc1ccc(Cl)c(F)c1)NCc1cc[nH+]c(N2CCN(c3ccc(F)cc3)CC2)c1 ZINC001355753711 1067573644 /nfs/dbraw/zinc/57/36/44/1067573644.db2.gz AXOVSBOLZUYTBF-UHFFFAOYSA-N 1 2 456.924 4.199 20 0 JIADLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(C)(C)Sc1ccc(Br)cc1 ZINC001355847368 1067591113 /nfs/dbraw/zinc/59/11/13/1067591113.db2.gz BRADPPOUCBBLDS-UHFFFAOYSA-N 1 2 450.402 4.499 20 0 JIADLO C[C@H](Cc1cnc2ccccc2n1)C(=O)N1CC[NH+](Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC001352640171 1067596334 /nfs/dbraw/zinc/59/63/34/1067596334.db2.gz PUOJEABYQQFKPX-QGZVFWFLSA-N 1 2 458.484 4.051 20 0 JIADLO C[C@H](NC(=O)c1cccc(NC(=O)CCn2cc[nH+]c2)c1)c1ccc(OCC2CC2)c(F)c1 ZINC001355885193 1067598328 /nfs/dbraw/zinc/59/83/28/1067598328.db2.gz GJIPSTBUVZQOSE-KRWDZBQOSA-N 1 2 450.514 4.331 20 0 JIADLO CC(=O)c1cccc(OCC(=O)N2CC[NH+](Cc3ccc(-c4ccccc4F)s3)CC2)c1 ZINC001355899483 1067602289 /nfs/dbraw/zinc/60/22/89/1067602289.db2.gz YKQKVDPGAAGIEV-UHFFFAOYSA-N 1 2 452.551 4.480 20 0 JIADLO O=S(=O)(c1ccc(Cl)c2ccccc21)N1CCC[C@@]2(C1)COCC[N@H+](Cc1ccccn1)C2 ZINC001200106799 1067631443 /nfs/dbraw/zinc/63/14/43/1067631443.db2.gz ANNIVECCUHUIKD-RUZDIDTESA-N 1 2 486.037 4.192 20 0 JIADLO O=S(=O)(c1ccc(Cl)c2ccccc21)N1CCC[C@@]2(C1)COCC[N@@H+](Cc1ccccn1)C2 ZINC001200106799 1067631454 /nfs/dbraw/zinc/63/14/54/1067631454.db2.gz ANNIVECCUHUIKD-RUZDIDTESA-N 1 2 486.037 4.192 20 0 JIADLO COC(=O)Cc1cccc(C(=O)N2CC[NH+](Cc3ccc(-c4cccc(F)c4)s3)CC2)c1 ZINC001356024486 1067637502 /nfs/dbraw/zinc/63/75/02/1067637502.db2.gz WZRRYTQGBCNWGW-UHFFFAOYSA-N 1 2 452.551 4.228 20 0 JIADLO COc1ccc(C[C@H](C)CN(C)c2nnc(C(C)C)n2Cc2ccc(N3CCO[C@@H](C)C3)[nH+]c2)cc1 ZINC001300100013 1067673727 /nfs/dbraw/zinc/67/37/27/1067673727.db2.gz QSMNUWNIYHIUNS-VXKWHMMOSA-N 1 2 492.668 4.394 20 0 JIADLO Cc1ccc(NC(=S)NCCSCc2csc(C[NH+](C)C)n2)c(Br)c1 ZINC001200154768 1067776878 /nfs/dbraw/zinc/77/68/78/1067776878.db2.gz ZDLGYNZOJZLTFY-UHFFFAOYSA-N 1 2 459.504 4.495 20 0 JIADLO CCCOc1ccc(C(C)(C)C)cc1S(=O)(=O)N1Cc2c[nH+]cn2C[C@@H](COc2cccnc2)C1 ZINC001200268526 1067911808 /nfs/dbraw/zinc/91/18/08/1067911808.db2.gz UJFINBMNUOHGKB-HXUWFJFHSA-N 1 2 498.649 4.264 20 0 JIADLO COc1ccc(C[NH+]2CCN(c3nnc(C(C)C)n3CCc3nc(C)c(C)s3)CC2)cc1F ZINC001300231297 1067913577 /nfs/dbraw/zinc/91/35/77/1067913577.db2.gz VQQXJSSQPDSTJV-UHFFFAOYSA-N 1 2 472.634 4.187 20 0 JIADLO COC(=O)Cc1occc1C(=O)N1CC[NH+](Cc2ccc(-c3cccc(Cl)c3)s2)CC1 ZINC001353221391 1067921712 /nfs/dbraw/zinc/92/17/12/1067921712.db2.gz KCZQPEJYCQDWPD-UHFFFAOYSA-N 1 2 458.967 4.335 20 0 JIADLO Cc1ccc(-c2cnc(CCC(=O)N[C@@H](c3ccc(Cl)cc3)[C@H]3C[N@H+](C)CCO3)o2)cc1 ZINC001358071173 1068007406 /nfs/dbraw/zinc/00/74/06/1068007406.db2.gz BOESFMPXPRMVBF-RDGATRHJSA-N 1 2 453.970 4.424 20 0 JIADLO Cc1ccc(-c2cnc(CCC(=O)N[C@@H](c3ccc(Cl)cc3)[C@H]3C[N@@H+](C)CCO3)o2)cc1 ZINC001358071173 1068007418 /nfs/dbraw/zinc/00/74/18/1068007418.db2.gz BOESFMPXPRMVBF-RDGATRHJSA-N 1 2 453.970 4.424 20 0 JIADLO CCCc1noc2nc(CC)cc(C(=O)N[C@H](c3ccc(Cl)cc3)[C@@H]3C[N@H+](C)CCO3)c12 ZINC001358071295 1068007615 /nfs/dbraw/zinc/00/76/15/1068007615.db2.gz CIZQPENAMDHMJV-RBBKRZOGSA-N 1 2 456.974 4.193 20 0 JIADLO CCCc1noc2nc(CC)cc(C(=O)N[C@H](c3ccc(Cl)cc3)[C@@H]3C[N@@H+](C)CCO3)c12 ZINC001358071295 1068007629 /nfs/dbraw/zinc/00/76/29/1068007629.db2.gz CIZQPENAMDHMJV-RBBKRZOGSA-N 1 2 456.974 4.193 20 0 JIADLO C[C@@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)c1ccc(-c2noc(C(F)F)n2)cc1 ZINC001358071461 1068008774 /nfs/dbraw/zinc/00/87/74/1068008774.db2.gz BSNGMLMBSAVWDB-KRWDZBQOSA-N 1 2 456.493 4.037 20 0 JIADLO O=C(C[C@H]1CCC[C@@H](C(F)(F)F)O1)N1CC[NH+](Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC001358124608 1068026030 /nfs/dbraw/zinc/02/60/30/1068026030.db2.gz RABDDFZEJANBFT-SJORKVTESA-N 1 2 454.411 4.120 20 0 JIADLO Cc1ccc(NC(=O)C(C)(C)C)cc1NC(=O)N[C@@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC001200313856 1068052897 /nfs/dbraw/zinc/05/28/97/1068052897.db2.gz JXGLTNZGOPLFEP-QFIPXVFZSA-N 1 2 452.599 4.045 20 0 JIADLO COc1ccc(CNC(=S)Nc2ccc(C[NH+]3CCN(C(=O)OC(C)(C)C)CC3)cc2)cc1 ZINC001200359825 1068232891 /nfs/dbraw/zinc/23/28/91/1068232891.db2.gz AHVCKEAPPZIPCG-UHFFFAOYSA-N 1 2 470.639 4.235 20 0 JIADLO COc1ccc(CNC(=S)Nc2cccc(C[NH+]3CCN(C(=O)OC(C)(C)C)CC3)c2)cc1 ZINC001200362398 1068245631 /nfs/dbraw/zinc/24/56/31/1068245631.db2.gz SUGFUGFCANLHRX-UHFFFAOYSA-N 1 2 470.639 4.235 20 0 JIADLO COc1ccc(CCn2c(C)cc(C(=O)Cn3c(NC[C@H](C)O)[nH+]c4ccccc43)c2C)cc1 ZINC000514591690 1068256395 /nfs/dbraw/zinc/25/63/95/1068256395.db2.gz WOHOMGQEKQFNAY-IBGZPJMESA-N 1 2 460.578 4.382 20 0 JIADLO COc1cccc([C@H](C)[NH+]2CCN(C(=O)Nc3nnc(Cc4ccc(C)cc4)s3)CC2)c1 ZINC000518684991 1068310494 /nfs/dbraw/zinc/31/04/94/1068310494.db2.gz UVFJJVSYMYPONJ-SFHVURJKSA-N 1 2 451.596 4.357 20 0 JIADLO COc1cccc(Nc2nnc(SCC(=O)Nc3nc(C[NH+]4CCCC4)cs3)s2)c1 ZINC000519781438 1068317280 /nfs/dbraw/zinc/31/72/80/1068317280.db2.gz YJMSULZGAJFYGT-UHFFFAOYSA-N 1 2 462.626 4.073 20 0 JIADLO Cc1c(C(=O)N[C@H]2C[NH+]3CCC2CC3)sc2[nH]c(CSc3cc(C)ccc3C)nc(=O)c12 ZINC001353861467 1068680022 /nfs/dbraw/zinc/68/00/22/1068680022.db2.gz QGLPMNGYEMZGTA-KRWDZBQOSA-N 1 2 468.648 4.026 20 0 JIADLO COc1ccccc1-c1nnc(N2CC[C@@H](NC(=O)OC(C)(C)C)C2)n1CCCc1cccc(C)[nH+]1 ZINC001300491708 1068857069 /nfs/dbraw/zinc/85/70/69/1068857069.db2.gz OLUFSWLJEPCTMW-OAQYLSRUSA-N 1 2 492.624 4.393 20 0 JIADLO CCN(C(=O)CCc1cccc(OC)c1OC)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC001354065739 1068874505 /nfs/dbraw/zinc/87/45/05/1068874505.db2.gz AZCFOCVHHCGCLZ-UHFFFAOYSA-N 1 2 454.615 4.376 20 0 JIADLO CC(C)(C)OC(=O)N1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)c2cc(-n3cc[nH+]c3)ccc2O)C1 ZINC001300575489 1069097431 /nfs/dbraw/zinc/09/74/31/1069097431.db2.gz JJEGVBRITHNHFH-IFMALSPDSA-N 1 2 480.540 4.240 20 0 JIADLO Cc1cccc(CC(=O)NCc2cc[nH+]c(N3CCN(c4ccc(F)cc4)CC3)c2)c1Cl ZINC001354371400 1069147116 /nfs/dbraw/zinc/14/71/16/1069147116.db2.gz JEPKDEFUDUFXPT-UHFFFAOYSA-N 1 2 452.961 4.368 20 0 JIADLO Fc1c(Cl)nccc1C(F)(F)N1CCO[C@@H](c2[nH+]cn3c2cccc3Br)C1 ZINC001164420842 718889451 /nfs/dbraw/zinc/88/94/51/718889451.db2.gz WGYMIGZKPCJUFO-GFCCVEGCSA-N 1 2 461.669 4.407 20 0 JIADLO Cc1nc(C(F)(F)N2CCO[C@@H](c3[nH+]cn4c3cccc4Br)C2)nc(Cl)c1C ZINC001164417110 718890445 /nfs/dbraw/zinc/89/04/45/718890445.db2.gz HUCJFBSRNZWBIW-CYBMUJFWSA-N 1 2 472.721 4.280 20 0 JIADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nccc(C(=O)OC(C)(C)C)n1)CC2 ZINC001164658949 719351497 /nfs/dbraw/zinc/35/14/97/719351497.db2.gz MSMKDXBQPDJYQV-UHFFFAOYSA-N 1 2 474.609 4.127 20 0 JIADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nccc(C(=O)OC(C)(C)C)n1)CC2 ZINC001164658949 719351500 /nfs/dbraw/zinc/35/15/00/719351500.db2.gz MSMKDXBQPDJYQV-UHFFFAOYSA-N 1 2 474.609 4.127 20 0 JIADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nc(Cl)nc3c1nc(C)n3C)CC2 ZINC001164659905 719353071 /nfs/dbraw/zinc/35/30/71/719353071.db2.gz SKUQLZVLHMCLJU-UHFFFAOYSA-N 1 2 477.016 4.020 20 0 JIADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nc(Cl)nc3c1nc(C)n3C)CC2 ZINC001164659905 719353074 /nfs/dbraw/zinc/35/30/74/719353074.db2.gz SKUQLZVLHMCLJU-UHFFFAOYSA-N 1 2 477.016 4.020 20 0 JIADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ncnc3cccc(OC)c31)CC2 ZINC001164660637 719354020 /nfs/dbraw/zinc/35/40/20/719354020.db2.gz WHDGIDRUFKYEIM-UHFFFAOYSA-N 1 2 454.578 4.333 20 0 JIADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ncnc3cccc(OC)c31)CC2 ZINC001164660637 719354025 /nfs/dbraw/zinc/35/40/25/719354025.db2.gz WHDGIDRUFKYEIM-UHFFFAOYSA-N 1 2 454.578 4.333 20 0 JIADLO CN(C)c1ccc(-c2ccnc(N3CCC4(CC3)COCC[N@@H+]4Cc3ccc(F)cc3)n2)cc1 ZINC001164673999 719516317 /nfs/dbraw/zinc/51/63/17/719516317.db2.gz XZXYXLUJXRXVKR-UHFFFAOYSA-N 1 2 461.585 4.220 20 0 JIADLO CN(C)c1ccc(-c2ccnc(N3CCC4(CC3)COCC[N@H+]4Cc3ccc(F)cc3)n2)cc1 ZINC001164673999 719516323 /nfs/dbraw/zinc/51/63/23/719516323.db2.gz XZXYXLUJXRXVKR-UHFFFAOYSA-N 1 2 461.585 4.220 20 0 JIADLO CC(=O)NC[C@H]1c2[nH+]cn(C(C)C)c2CCN1C(F)(F)c1cccc2c(Cl)nc(Cl)nc21 ZINC001164721345 720314267 /nfs/dbraw/zinc/31/42/67/720314267.db2.gz GKDLQHHJNCUOOQ-INIZCTEOSA-N 1 2 483.350 4.499 20 0 JIADLO CC(=O)NC[C@H]1c2[nH+]cn(C(C)C)c2CCN1C(F)(F)c1ccc(Cl)nc1C(F)(F)F ZINC001164722816 720317365 /nfs/dbraw/zinc/31/73/65/720317365.db2.gz LXRFLUOJUFPHFY-AWEZNQCLSA-N 1 2 465.854 4.316 20 0 JIADLO CC(=O)NC[C@@H]1c2[nH+]cn(C(C)C)c2CCN1C(F)(F)c1cc(-c2ccccc2F)nnc1Cl ZINC001164723306 720317872 /nfs/dbraw/zinc/31/78/72/720317872.db2.gz NFUUFYHFKFCCBC-HXUWFJFHSA-N 1 2 492.933 4.498 20 0 JIADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4cc(-c5ccccc5)cc(Cl)n4)CC3)C2=O)cs1 ZINC001164820772 720370438 /nfs/dbraw/zinc/37/04/38/720370438.db2.gz UMWOZMAKGOKTSA-UHFFFAOYSA-N 1 2 482.053 4.480 20 0 JIADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4cc(-c5ccccc5)cc(Cl)n4)CC3)C2=O)cs1 ZINC001164820772 720370445 /nfs/dbraw/zinc/37/04/45/720370445.db2.gz UMWOZMAKGOKTSA-UHFFFAOYSA-N 1 2 482.053 4.480 20 0 JIADLO COc1ccc2nc(C(F)(F)N3Cc4c[nH+]cn4C[C@@H](COCC4CC4)C3)nc(Cl)c2c1 ZINC001164757018 720979392 /nfs/dbraw/zinc/97/93/92/720979392.db2.gz LXOLNWYPDQIJLX-OAHLLOKOSA-N 1 2 463.916 4.096 20 0 JIADLO CSc1cnc(Cl)c(C(F)(F)N2Cc3c[nH+]cn3C[C@@H](COc3cccnc3)C2)c1 ZINC001164770038 721275351 /nfs/dbraw/zinc/27/53/51/721275351.db2.gz SVQKPBIUFDIYFW-CQSZACIVSA-N 1 2 451.930 4.309 20 0 JIADLO FC(F)(Oc1ccc2c(Cl)ncnc2c1)N1Cc2c[nH+]cn2C[C@@H](COc2cccnc2)C1 ZINC001164767053 721275539 /nfs/dbraw/zinc/27/55/39/721275539.db2.gz DXJPBELBIGSSKW-OAHLLOKOSA-N 1 2 472.883 4.015 20 0 JIADLO COc1cccc(-c2cc(C(F)(F)N3C[C@@H]4C[N@@H+](Cc5nccs5)C[C@@H]4C3)c(Cl)nn2)c1 ZINC001164788206 721438816 /nfs/dbraw/zinc/43/88/16/721438816.db2.gz ZTDXXDJKJPHSJW-IYBDPMFKSA-N 1 2 477.968 4.375 20 0 JIADLO COc1cccc(-c2cc(C(F)(F)N3C[C@@H]4C[N@H+](Cc5nccs5)C[C@@H]4C3)c(Cl)nn2)c1 ZINC001164788206 721438819 /nfs/dbraw/zinc/43/88/19/721438819.db2.gz ZTDXXDJKJPHSJW-IYBDPMFKSA-N 1 2 477.968 4.375 20 0 JIADLO c1ccc(C[N@@H+]2CCc3ncnc(N4CCC5(CCOC[C@@H]5COc5cccnc5)CC4)c3C2)cc1 ZINC001164797260 721603621 /nfs/dbraw/zinc/60/36/21/721603621.db2.gz AYCOBFJKPQMQKK-XMMPIXPASA-N 1 2 485.632 4.132 20 0 JIADLO c1ccc(C[N@H+]2CCc3ncnc(N4CCC5(CCOC[C@@H]5COc5cccnc5)CC4)c3C2)cc1 ZINC001164797260 721603622 /nfs/dbraw/zinc/60/36/22/721603622.db2.gz AYCOBFJKPQMQKK-XMMPIXPASA-N 1 2 485.632 4.132 20 0 JIADLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(C(F)(F)c1cc(-c3cccs3)nnc1Cl)C2 ZINC001165008919 721713732 /nfs/dbraw/zinc/71/37/32/721713732.db2.gz LCRSIFOBVXHYLX-UHFFFAOYSA-N 1 2 467.977 4.245 20 0 JIADLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(C(F)(F)c1cc(-c3cccs3)nnc1Cl)C2 ZINC001165008919 721713738 /nfs/dbraw/zinc/71/37/38/721713738.db2.gz LCRSIFOBVXHYLX-UHFFFAOYSA-N 1 2 467.977 4.245 20 0 JIADLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(C(F)(F)c1cc(-c3ccccc3)nnc1Cl)C2 ZINC001165009147 721714419 /nfs/dbraw/zinc/71/44/19/721714419.db2.gz QFRZTINEEZXNMT-UHFFFAOYSA-N 1 2 461.948 4.184 20 0 JIADLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(C(F)(F)c1cc(-c3ccccc3)nnc1Cl)C2 ZINC001165009147 721714424 /nfs/dbraw/zinc/71/44/24/721714424.db2.gz QFRZTINEEZXNMT-UHFFFAOYSA-N 1 2 461.948 4.184 20 0 JIADLO COc1ccc(-c2cc(C(F)(F)N3CCC4(CC3)c3ncc(C)n3CC[N@H+]4C)c(Cl)nn2)cc1 ZINC001164919737 721822200 /nfs/dbraw/zinc/82/22/00/721822200.db2.gz VJEATBJXEPNQLQ-UHFFFAOYSA-N 1 2 488.970 4.297 20 0 JIADLO COc1ccc(-c2cc(C(F)(F)N3CCC4(CC3)c3ncc(C)n3CC[N@@H+]4C)c(Cl)nn2)cc1 ZINC001164919737 721822201 /nfs/dbraw/zinc/82/22/01/721822201.db2.gz VJEATBJXEPNQLQ-UHFFFAOYSA-N 1 2 488.970 4.297 20 0 JIADLO c1ccc(C[N@@H+]2CCc3ncnc(N4CCC[C@@]5(C[C@@H](OCC6CCCC6)CO5)C4)c3C2)cc1 ZINC001164981906 722164260 /nfs/dbraw/zinc/16/42/60/722164260.db2.gz SXKXLMYNTFYXMK-UFHPHHKVSA-N 1 2 462.638 4.370 20 0 JIADLO c1ccc(C[N@H+]2CCc3ncnc(N4CCC[C@@]5(C[C@@H](OCC6CCCC6)CO5)C4)c3C2)cc1 ZINC001164981906 722164262 /nfs/dbraw/zinc/16/42/62/722164262.db2.gz SXKXLMYNTFYXMK-UFHPHHKVSA-N 1 2 462.638 4.370 20 0 JIADLO COc1ccccc1OCc1nnc(N2C[C@H](OC)C(C)(C)C2)n1CCCc1cccc(C)[nH+]1 ZINC001300643335 1069313317 /nfs/dbraw/zinc/31/33/17/1069313317.db2.gz YOFMZLLHGRNKTG-QHCPKHFHSA-N 1 2 465.598 4.063 20 0 JIADLO COc1ccccc1SCc1nnc(N(C)CC2CCCC2)n1CC[N@@H+]1CCOCC1(C)C ZINC001300667183 1069390477 /nfs/dbraw/zinc/39/04/77/1069390477.db2.gz JQLPTNQUWJLSLM-UHFFFAOYSA-N 1 2 473.687 4.316 20 0 JIADLO COc1ccccc1SCc1nnc(N(C)CC2CCCC2)n1CC[N@H+]1CCOCC1(C)C ZINC001300667183 1069390493 /nfs/dbraw/zinc/39/04/93/1069390493.db2.gz JQLPTNQUWJLSLM-UHFFFAOYSA-N 1 2 473.687 4.316 20 0 JIADLO COc1ccccc1SCc1nnc(N2C[C@@H](C)C[C@H](C)C2)n1CC[N@@H+]1CCOCC1(C)C ZINC001300668905 1069396110 /nfs/dbraw/zinc/39/61/10/1069396110.db2.gz HRTUJYXLLOJZOQ-PMACEKPBSA-N 1 2 473.687 4.172 20 0 JIADLO COc1ccccc1SCc1nnc(N2C[C@@H](C)C[C@H](C)C2)n1CC[N@H+]1CCOCC1(C)C ZINC001300668905 1069396126 /nfs/dbraw/zinc/39/61/26/1069396126.db2.gz HRTUJYXLLOJZOQ-PMACEKPBSA-N 1 2 473.687 4.172 20 0 JIADLO CC(C)(C)C(=O)NC[C@H]1CCCN(c2nnc(C(C)(C)C)n2Cc2ccc(N3CCCCC3)[nH+]c2)C1 ZINC001359489742 1069687352 /nfs/dbraw/zinc/68/73/52/1069687352.db2.gz INPOEOKNEAIIGV-OAQYLSRUSA-N 1 2 495.716 4.388 20 0 JIADLO CC(C)(C)c1nnc(N2CCO[C@](C)(C(C)(C)C)C2)n1C[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC001359516811 1069803153 /nfs/dbraw/zinc/80/31/53/1069803153.db2.gz IVUDAZJURGYLHH-CUNXSJBXSA-N 1 2 469.674 4.291 20 0 JIADLO CC(C)=CCCn1c(-c2ccc(Cl)cc2F)nnc1N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1 ZINC001359607133 1070068411 /nfs/dbraw/zinc/06/84/11/1070068411.db2.gz FZGVIXUCODYJLH-IBGZPJMESA-N 1 2 489.039 4.227 20 0 JIADLO CC(C)C(=O)NCCN(C)c1nnc(CC2CCCC2)n1Cc1ccc(N2CCCCCC2)[nH+]c1 ZINC001359637060 1070166651 /nfs/dbraw/zinc/16/66/51/1070166651.db2.gz FNIISZVRJMLKFB-UHFFFAOYSA-N 1 2 481.689 4.043 20 0 JIADLO CC(C)c1nnc(N2CCN(c3nccc(C(C)C)n3)CC2)n1C[C@@H](c1c(F)cccc1F)[NH+](C)C ZINC001359668609 1070307411 /nfs/dbraw/zinc/30/74/11/1070307411.db2.gz JFKSEHQOOQUINW-QFIPXVFZSA-N 1 2 498.626 4.223 20 0 JIADLO CC(C)c1nnc(N2CC[C@H](CNC(=O)OC(C)(C)C)C2)n1C[C@H](c1c(F)cccc1F)[NH+](C)C ZINC001359697059 1070356855 /nfs/dbraw/zinc/35/68/55/1070356855.db2.gz GPWPLADLFUKSGT-YLJYHZDGSA-N 1 2 492.615 4.334 20 0 JIADLO COc1ccc(Cl)cc1Cn1c(CC(C)(C)C)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC001315509508 1064436870 /nfs/dbraw/zinc/43/68/70/1064436870.db2.gz BDBUVDWFNIYJBA-UHFFFAOYSA-N 1 2 455.006 4.299 20 0 JIADLO COc1ccc(F)cc1C[NH+]1CCN(c2nnc(C(C)(C)C)n2CCC[C@@H]2CCCCO2)CC1 ZINC001315515218 1064461356 /nfs/dbraw/zinc/46/13/56/1064461356.db2.gz HXCOIDXOKWHTAG-QFIPXVFZSA-N 1 2 473.637 4.395 20 0 JIADLO COc1ccc(OCc2nnc(N3CCC(Cl)=C(Cl)C3)n2Cc2c[nH+]ccc2OC)cc1 ZINC001315531689 1064516896 /nfs/dbraw/zinc/51/68/96/1064516896.db2.gz NALUZZRWUAMQOQ-UHFFFAOYSA-N 1 2 476.364 4.217 20 0 JIADLO COc1cccc(-c2nnc(N3CC[NH+](Cc4cc(C)no4)CC3)n2C[C@@H](SC)C(C)(C)C)c1 ZINC001315562377 1064589025 /nfs/dbraw/zinc/58/90/25/1064589025.db2.gz DQRXECNEBAXPKY-JOCHJYFZSA-N 1 2 484.670 4.350 20 0 JIADLO COc1ccccc1-c1nnc(N(C)Cc2cc(Cl)ccn2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001315592400 1064684092 /nfs/dbraw/zinc/68/40/92/1064684092.db2.gz LZAHAWWAEHCQQD-UHFFFAOYSA-N 1 2 463.973 4.148 20 0 JIADLO COc1ccccc1O[C@H](C)Cn1c(CC(C)(C)C)nnc1N1CC[NH+](Cc2cnc(C)s2)CC1 ZINC001315645414 1064813641 /nfs/dbraw/zinc/81/36/41/1064813641.db2.gz FHJBTSWNWNNBBX-LJQANCHMSA-N 1 2 498.697 4.430 20 0 JIADLO COc1ccccc1OC[C@@H](C)Cn1c(CC(C)C)nnc1N1CCc2c(cc[nH+]c2N(C)C)C1 ZINC001315646439 1064818092 /nfs/dbraw/zinc/81/80/92/1064818092.db2.gz BXXCGHPRWFENRA-FQEVSTJZSA-N 1 2 478.641 4.224 20 0 JIADLO COc1ccccc1SCc1nnc(N2CC[C@H](C)C(C)(C)C2)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001315665948 1064880698 /nfs/dbraw/zinc/88/06/98/1064880698.db2.gz USEQQLRCPFOGBC-PMACEKPBSA-N 1 2 473.687 4.172 20 0 JIADLO COc1ccccc1SCc1nnc(N2CC[C@H](C)C(C)(C)C2)n1CC[N@H+]1CCOC[C@@H]1C ZINC001315665948 1064880703 /nfs/dbraw/zinc/88/07/03/1064880703.db2.gz USEQQLRCPFOGBC-PMACEKPBSA-N 1 2 473.687 4.172 20 0 JIADLO COc1cc[nH+]cc1Cn1c(-c2ccc(Br)s2)nnc1N1CC[C@@H](C)[C@H](OC)C1 ZINC001315668653 1064892840 /nfs/dbraw/zinc/89/28/40/1064892840.db2.gz BTTXSJMROMKLNJ-CZUORRHYSA-N 1 2 478.416 4.082 20 0 JIADLO COc1cc[nH+]cc1Cn1c(-c2ccc(Cl)cc2F)nnc1N1C[C@@H](C)O[C@@H](C(F)(F)F)C1 ZINC001315668996 1064894767 /nfs/dbraw/zinc/89/47/67/1064894767.db2.gz GBYDMNTXWAWTPM-KZULUSFZSA-N 1 2 485.869 4.346 20 0 JIADLO COc1cc[nH+]cc1Cn1c(C2CCC2)nnc1N(C)Cc1ccc(OC)c(OC(F)F)c1 ZINC001315671537 1064901110 /nfs/dbraw/zinc/90/11/10/1064901110.db2.gz HDCLPSDEFIAZEQ-UHFFFAOYSA-N 1 2 459.497 4.244 20 0 JIADLO COc1cc[nH+]cc1Cn1c(Cc2cccnc2)nnc1N(C)Cc1ccc(Br)s1 ZINC001315672543 1064903408 /nfs/dbraw/zinc/90/34/08/1064903408.db2.gz UQSILFJEYADRFU-UHFFFAOYSA-N 1 2 485.411 4.176 20 0 JIADLO COc1cc[nH+]cc1Cn1c(CC(C)(C)C)nnc1N1CC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1 ZINC001315673104 1064904784 /nfs/dbraw/zinc/90/47/84/1064904784.db2.gz WWSVSZFHZJBCCU-ZWKOTPCHSA-N 1 2 472.634 4.058 20 0 JIADLO COc1cc[nH+]cc1Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1C[C@@H](C)CC[C@@H]1C ZINC001315673208 1064905247 /nfs/dbraw/zinc/90/52/47/1064905247.db2.gz VMYVHQYNGFPORQ-CGBFIWBNSA-N 1 2 470.618 4.126 20 0 JIADLO CO[C@@H]1CN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CCCNc2cccc[nH+]2)CC[C@H]1C ZINC001315714557 1065002365 /nfs/dbraw/zinc/00/23/65/1065002365.db2.gz QMNDSVCXXUKZLZ-XQBPLPMBSA-N 1 2 468.577 4.316 20 0 JIADLO COCC(C)(C)Cn1c([C@H]2CCCCO2)nnc1N1CC[NH+](CCOc2ccccc2Cl)CC1 ZINC001315768221 1065088028 /nfs/dbraw/zinc/08/80/28/1065088028.db2.gz FYIBSRAMYMRILD-JOCHJYFZSA-N 1 2 492.064 4.047 20 0 JIADLO COC[C@@H]1CCCN(c2nnc(-c3ccc(Br)s3)n2Cc2c[nH+]ccc2OC)C1 ZINC001315892422 1065353755 /nfs/dbraw/zinc/35/37/55/1065353755.db2.gz CQDMSORCTDOASE-CQSZACIVSA-N 1 2 478.416 4.084 20 0 JIADLO COCCC1(Cn2c(C)nnc2N2CC[NH+](Cc3cc(F)ccc3OC)CC2)CCCCC1 ZINC001315978125 1065538241 /nfs/dbraw/zinc/53/82/41/1065538241.db2.gz HTIPZPOPJFOPAM-UHFFFAOYSA-N 1 2 459.610 4.043 20 0 JIADLO COCCN(C)c1nnc(COc2ccc(C)c(C)c2)n1Cc1ccc(N2CCCCCC2)[nH+]c1 ZINC001316062170 1065699966 /nfs/dbraw/zinc/69/99/66/1065699966.db2.gz YQUGRHOKXMVCNC-UHFFFAOYSA-N 1 2 478.641 4.380 20 0 JIADLO CS[C@@H](Cn1c(COc2cccc(C)c2)nnc1N1CCN(c2cc[nH+]c(C)n2)CC1)C(C)(C)C ZINC001316399388 1066177203 /nfs/dbraw/zinc/17/72/03/1066177203.db2.gz KZPMSDXSJKQIEG-QFIPXVFZSA-N 1 2 495.697 4.368 20 0 JIADLO CSC[C@@H]1CCCN1c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1C[C@@H](C)[NH+]1CCOCC1 ZINC001316434627 1066283143 /nfs/dbraw/zinc/28/31/43/1066283143.db2.gz OZUOKNSNUDANIA-GGPKGHCWSA-N 1 2 480.078 4.124 20 0 JIADLO CSC[C@@H]1CCCN1c1nnc(CSc2ccc(Cl)cc2)n1C[C@@H](C)[NH+]1CCOCC1 ZINC001316442197 1066303876 /nfs/dbraw/zinc/30/38/76/1066303876.db2.gz JTQASHMXKYHXRV-MJGOQNOKSA-N 1 2 482.119 4.276 20 0 JIADLO CSCC[C@H](C)N(C)c1nnc(CC2CCCC2)n1Cc1ccc(N2CCO[C@H](C)C2)[nH+]c1 ZINC001316448201 1066322823 /nfs/dbraw/zinc/32/28/23/1066322823.db2.gz APYJUFAKIRJRDO-VQTJNVASSA-N 1 2 472.703 4.257 20 0 JIADLO CSCC[C@H](C)N(C)c1nnc([C@@H]2CCCCO2)n1Cc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC001316449782 1066327195 /nfs/dbraw/zinc/32/71/95/1066327195.db2.gz VCFWOSLSGXEBCP-UWJYYQICSA-N 1 2 458.607 4.471 20 0 JIADLO Cc1cccc(CCCn2c([C@H]3CCCOC3)nnc2N2CCC[C@@H](CNC(=O)OC(C)(C)C)C2)[nH+]1 ZINC001492525834 1066412554 /nfs/dbraw/zinc/41/25/54/1066412554.db2.gz IPZSLCOZSNPSCL-VXKWHMMOSA-N 1 2 498.672 4.249 20 0 JIADLO Cc1cccc(CCCn2c(Cc3ccccc3F)nnc2N2CC[C@H](NC(=O)OC(C)(C)C)C2)[nH+]1 ZINC001492526686 1066416127 /nfs/dbraw/zinc/41/61/27/1066416127.db2.gz IJLGYAWOBQVOMR-QFIPXVFZSA-N 1 2 494.615 4.448 20 0 JIADLO Cc1cccc(CCCn2c(COc3ccc(C(C)(C)C)cc3)nnc2N2CCN(C)C(=O)[C@@H]2C)[nH+]1 ZINC001492526545 1066416269 /nfs/dbraw/zinc/41/62/69/1066416269.db2.gz CCTVFPBUVCNUSG-NRFANRHFSA-N 1 2 490.652 4.158 20 0 JIADLO Cc1cccc(CCCn2c(CC(C)(C)C)nnc2N2CCCN(c3ncccc3F)CC2)[nH+]1 ZINC001492526966 1066419093 /nfs/dbraw/zinc/41/90/93/1066419093.db2.gz RDZGLNLSEGTGNU-UHFFFAOYSA-N 1 2 465.621 4.454 20 0 JIADLO Cc1cccc(CCCn2c(CCc3ccccc3)nnc2N2CCN(C(=O)C(C)(C)C)CC2)[nH+]1 ZINC001492527278 1066421215 /nfs/dbraw/zinc/42/12/15/1066421215.db2.gz YFHDRBHICGFFPS-UHFFFAOYSA-N 1 2 474.653 4.094 20 0 JIADLO CCCCCn1c2nn(C[N@@H+]3CCCN4c5ccccc5C[C@@H]4C3)c(=S)n2c2ccccc2c1=O ZINC001335872806 1066424954 /nfs/dbraw/zinc/42/49/54/1066424954.db2.gz BERCTKGZCIHIJQ-OAQYLSRUSA-N 1 2 488.661 4.465 20 0 JIADLO CCCCCn1c2nn(C[N@H+]3CCCN4c5ccccc5C[C@@H]4C3)c(=S)n2c2ccccc2c1=O ZINC001335872806 1066424977 /nfs/dbraw/zinc/42/49/77/1066424977.db2.gz BERCTKGZCIHIJQ-OAQYLSRUSA-N 1 2 488.661 4.465 20 0 JIADLO Cc1cccc(CCCn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCC(CCC(N)=O)CC2)[nH+]1 ZINC001492527737 1066425052 /nfs/dbraw/zinc/42/50/52/1066425052.db2.gz QXNUBJHDAZDEII-ISKFKSNPSA-N 1 2 482.673 4.015 20 0 JIADLO C[C@@H]1CN(c2nnc(Cc3ccncc3)n2C[C@@H](c2c(F)cccc2F)[NH+](C)C)C[C@H]1C(F)(F)F ZINC001316490823 1066425752 /nfs/dbraw/zinc/42/57/52/1066425752.db2.gz GYICHXSRYMETGD-MDYRTPRTSA-N 1 2 494.512 4.480 20 0 JIADLO FC(F)(F)CN1CCN(c2nnc(-c3cccc(Cl)c3)n2CCCNc2cccc[nH+]2)CC1 ZINC001316513619 1066502933 /nfs/dbraw/zinc/50/29/33/1066502933.db2.gz AZCYYPZTQQWBJC-UHFFFAOYSA-N 1 2 479.938 4.180 20 0 JIADLO O=C(CC1c2ccccc2Oc2ccccc21)NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC001337858379 1066515386 /nfs/dbraw/zinc/51/53/86/1066515386.db2.gz AWYJGUWPFLFIHW-UHFFFAOYSA-N 1 2 458.558 4.342 20 0 JIADLO CC(C)[N@H+](CCc1ccccc1)Cn1nc(-c2ccc(F)cc2)n(CCN2CCOCC2)c1=S ZINC001337967522 1066522118 /nfs/dbraw/zinc/52/21/18/1066522118.db2.gz OVACCSDQQNLDBG-UHFFFAOYSA-N 1 2 483.657 4.463 20 0 JIADLO CC(C)[N@@H+](CCc1ccccc1)Cn1nc(-c2ccc(F)cc2)n(CCN2CCOCC2)c1=S ZINC001337967522 1066522133 /nfs/dbraw/zinc/52/21/33/1066522133.db2.gz OVACCSDQQNLDBG-UHFFFAOYSA-N 1 2 483.657 4.463 20 0 JIADLO C[C@H]1Oc2ccccc2N(CC(=O)O[C@@H](Cn2cc[nH+]c2)c2ccc(Cl)cc2Cl)C1=O ZINC001343432560 1066615653 /nfs/dbraw/zinc/61/56/53/1066615653.db2.gz QFNVCDANYREUBX-VLIAUNLRSA-N 1 2 460.317 4.289 20 0 JIADLO Cc1cc(CN(C)c2nnc(CC(C)(C)C)n2C[C@H](c2cccc(C)c2)[NH+]2CCOCC2)no1 ZINC001492480498 1066626554 /nfs/dbraw/zinc/62/65/54/1066626554.db2.gz MADVZJFFTOKKSX-HSZRJFAPSA-N 1 2 466.630 4.181 20 0 JIADLO C[C@@H](Sc1ccnc2cc(Cl)ccc21)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001347777116 1066697732 /nfs/dbraw/zinc/69/77/32/1066697732.db2.gz RMIXGFGYARBEBJ-XLIONFOSSA-N 1 2 456.011 4.386 20 0 JIADLO C[C@@H](Sc1ccnc2cc(Cl)ccc21)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001347777116 1066697734 /nfs/dbraw/zinc/69/77/34/1066697734.db2.gz RMIXGFGYARBEBJ-XLIONFOSSA-N 1 2 456.011 4.386 20 0 JIADLO CNC(=O)Cc1ccccc1NC(=O)N1CC[NH+](Cc2ccc(-c3ccccc3F)s2)CC1 ZINC001317832763 1066717838 /nfs/dbraw/zinc/71/78/38/1066717838.db2.gz CDXKTLFPRIUWRZ-UHFFFAOYSA-N 1 2 466.582 4.192 20 0 JIADLO CN(CC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)[C@@H](c1ccccc1)[NH+]1CCSCC1 ZINC001348959503 1066794240 /nfs/dbraw/zinc/79/42/40/1066794240.db2.gz WHCVIKVXAQSWOW-HXUWFJFHSA-N 1 2 452.407 4.180 20 0 JIADLO Cc1ccc(NC(=O)[C@H](C)n2cc[nH+]c2)cc1NC(=O)c1ccccc1I ZINC001317999081 1066841844 /nfs/dbraw/zinc/84/18/44/1066841844.db2.gz SNIQXRCJWKVBCO-AWEZNQCLSA-N 1 2 474.302 4.248 20 0 JIADLO O=C(NCc1ccccc1OCC[NH+]1CCOCC1)Nc1ccc(Oc2cccc(F)c2)nc1 ZINC001318034330 1066862273 /nfs/dbraw/zinc/86/22/73/1066862273.db2.gz VCZXLPFCNLEGGB-UHFFFAOYSA-N 1 2 466.513 4.046 20 0 JIADLO O=C(c1ccc(O[C@@H]2CC2(F)F)cc1)N1CC[NH+](Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC001349904543 1066894081 /nfs/dbraw/zinc/89/40/81/1066894081.db2.gz IIXHCTWFUXXHLJ-LJQANCHMSA-N 1 2 456.411 4.330 20 0 JIADLO CCn1c2ccccc2c2cc(CN(C)C(=O)NCCC(=O)N3CCN(c4cccc[nH+]4)CC3)ccc21 ZINC001318124886 1066912145 /nfs/dbraw/zinc/91/21/45/1066912145.db2.gz GJBOPMICBYOUEV-UHFFFAOYSA-N 1 2 498.631 4.090 20 0 JIADLO C[C@]1(c2ccc3ccccc3c2)NC(=O)N(C[NH+]2CCC([C@@H]3c4ccccc4NC3=O)CC2)C1=O ZINC001318166029 1066934287 /nfs/dbraw/zinc/93/42/87/1066934287.db2.gz JSCYSOYUMGMCMK-UFHPHHKVSA-N 1 2 468.557 4.012 20 0 JIADLO O=C1Nc2ccccc2[C@@H]1C1CC[NH+](CN2C(=O)N[C@@](Cc3ccccc3)(c3ccccc3)C2=O)CC1 ZINC001318188536 1066948292 /nfs/dbraw/zinc/94/82/92/1066948292.db2.gz UUZSRHSZLRMKCD-YZNIXAGQSA-N 1 2 494.595 4.082 20 0 JIADLO O=C1Nc2ccccc2[C@H]1C1CC[NH+](CN2C(=O)N[C@@](Cc3ccccc3)(c3ccccc3)C2=O)CC1 ZINC001318188535 1066948383 /nfs/dbraw/zinc/94/83/83/1066948383.db2.gz UUZSRHSZLRMKCD-VIZCGCQYSA-N 1 2 494.595 4.082 20 0 JIADLO O=C(Nc1ccc2nc(C[NH+]3CCCCC3)[nH]c2c1)c1ccc2c(c1)nc1n(c2=O)CCCCC1 ZINC001318213884 1066963027 /nfs/dbraw/zinc/96/30/27/1066963027.db2.gz MBOUGFZZVDJBJF-UHFFFAOYSA-N 1 2 470.577 4.237 20 0 JIADLO CSc1ccc([C@H](CNC(=O)c2cc(C[NH+](C)C)on2)N2CCc3sccc3C2)cc1 ZINC001350522632 1066967732 /nfs/dbraw/zinc/96/77/32/1066967732.db2.gz NFNUBCMFCRNLFQ-NRFANRHFSA-N 1 2 456.637 4.049 20 0 JIADLO O=C(Nc1ccc2nc(C[NH+]3CCCCC3)[nH]c2c1)c1ccccc1I ZINC001318229687 1066973600 /nfs/dbraw/zinc/97/36/00/1066973600.db2.gz KOALYWZKNLWWFG-UHFFFAOYSA-N 1 2 460.319 4.406 20 0 JIADLO CC(C)Cn1c(SCC(=O)NCCc2[nH+]ccn2C)nnc1-c1ccc(Cl)cc1Cl ZINC001350868999 1067012779 /nfs/dbraw/zinc/01/27/79/1067012779.db2.gz VSBLGOBOGFKGDB-UHFFFAOYSA-N 1 2 467.426 4.092 20 0 JIADLO COc1cc[nH+]cc1Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N(C)[C@@H](C)CCSC ZINC001300686155 1067028291 /nfs/dbraw/zinc/02/82/91/1067028291.db2.gz CQCUVPVGFZBLQX-SFHVURJKSA-N 1 2 468.627 4.177 20 0 JIADLO COc1cc[nH+]cc1Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N(C)[C@H]1CCC[C@H](C)C1 ZINC001300686081 1067028656 /nfs/dbraw/zinc/02/86/56/1067028656.db2.gz BSDNBNJNJAVHJY-UWJYYQICSA-N 1 2 483.016 4.328 20 0 JIADLO COc1cc[nH+]cc1Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N(C)CCC1CCOCC1 ZINC001300686548 1067029075 /nfs/dbraw/zinc/02/90/75/1067029075.db2.gz FTDJHZAMWIMLKY-GOSISDBHSA-N 1 2 469.561 4.262 20 0 JIADLO COc1cc[nH+]cc1Cn1c(-c2ccc(OC)c(OC)c2)nnc1N(C)[C@H]1CCC[C@@H](C)C1 ZINC001300693182 1067044144 /nfs/dbraw/zinc/04/41/44/1067044144.db2.gz QIYHGYVEALDORE-XLIONFOSSA-N 1 2 451.571 4.429 20 0 JIADLO COc1cc[nH+]cc1Cn1c(-c2cccc(C)n2)nnc1N(C)[C@H](C)CCc1ccc(O)cc1 ZINC001300693850 1067046327 /nfs/dbraw/zinc/04/63/27/1067046327.db2.gz ZLRSLVZQENRISI-LJQANCHMSA-N 1 2 458.566 4.264 20 0 JIADLO COc1cc[nH+]cc1Cn1c(-c2ccc(Cl)cc2)nnc1N1C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001300694247 1067048161 /nfs/dbraw/zinc/04/81/61/1067048161.db2.gz PYZOBRCMPKIYRN-UZLBHIALSA-N 1 2 499.015 4.400 20 0 JIADLO O=C(Nc1ccccc1OCCn1cc[nH+]c1)c1cc2ccc(Br)cc2c(=O)o1 ZINC001351226366 1067061316 /nfs/dbraw/zinc/06/13/16/1067061316.db2.gz COSXYCBZQZKZBT-UHFFFAOYSA-N 1 2 454.280 4.083 20 0 JIADLO COc1cc[nH+]cc1Cn1c(COc2ccc(C)cc2)nnc1N1CC=C(C(F)(F)F)CC1 ZINC001300701530 1067061755 /nfs/dbraw/zinc/06/17/55/1067061755.db2.gz BSVPWGYNLYQZOZ-UHFFFAOYSA-N 1 2 459.472 4.316 20 0 JIADLO COc1cc[nH+]cc1Cn1c(COc2ccc(C)cc2)nnc1N1CCO[C@@](C)(C(C)(C)C)C1 ZINC001300702076 1067063714 /nfs/dbraw/zinc/06/37/14/1067063714.db2.gz NNBGLRWBVNMWKF-AREMUKBSSA-N 1 2 465.598 4.259 20 0 JIADLO COc1cc[nH+]cc1Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@H](C)CC1 ZINC001300703024 1067067370 /nfs/dbraw/zinc/06/73/70/1067067370.db2.gz ZDPJIMKQJWTTBJ-ICSRJNTNSA-N 1 2 470.618 4.428 20 0 JIADLO O=C(CCSc1ccnc2cc(Cl)ccc21)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001351352429 1067082008 /nfs/dbraw/zinc/08/20/08/1067082008.db2.gz FBOFFMWLKLGQCZ-FQEVSTJZSA-N 1 2 456.011 4.388 20 0 JIADLO O=C(CCSc1ccnc2cc(Cl)ccc21)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001351352429 1067082027 /nfs/dbraw/zinc/08/20/27/1067082027.db2.gz FBOFFMWLKLGQCZ-FQEVSTJZSA-N 1 2 456.011 4.388 20 0 JIADLO COC(=O)c1ccc2c(c1)OCC[N@@H+](Cc1cc3c(s1)CCN(C(=O)OC(C)(C)C)C3)C2 ZINC001474744481 1067085587 /nfs/dbraw/zinc/08/55/87/1067085587.db2.gz IADZFFLEMKIMJP-UHFFFAOYSA-N 1 2 458.580 4.223 20 0 JIADLO COC(=O)c1ccc2c(c1)OCC[N@H+](Cc1cc3c(s1)CCN(C(=O)OC(C)(C)C)C3)C2 ZINC001474744481 1067085602 /nfs/dbraw/zinc/08/56/02/1067085602.db2.gz IADZFFLEMKIMJP-UHFFFAOYSA-N 1 2 458.580 4.223 20 0 JIADLO CS[C@H]1CC[C@H](N(C)C(=O)c2cccnc2N2CC[NH+](Cc3cccc(Cl)c3)CC2)C1 ZINC001354791646 1067099984 /nfs/dbraw/zinc/09/99/84/1067099984.db2.gz IZWAQTPDKGHQCS-SFTDATJTSA-N 1 2 459.059 4.413 20 0 JIADLO Fc1cc(Br)cc(Br)c1NC(=S)N1CCN(c2cccc[nH+]2)CC1 ZINC001200796956 1067159529 /nfs/dbraw/zinc/15/95/29/1067159529.db2.gz YGRHCYZUYKHUKP-UHFFFAOYSA-N 1 2 474.197 4.265 20 0 JIADLO COC1CCC(Cn2c(N(C)C[C@@H](c3cccs3)[NH+]3CCOCC3)nnc2C(C)(C)C)CC1 ZINC001300734810 1067189308 /nfs/dbraw/zinc/18/93/08/1067189308.db2.gz FIHTXTGCUANYLO-CBNMVNINSA-N 1 2 475.703 4.352 20 0 JIADLO C[C@H](C(=O)Nc1cc(NC(=O)c2ccccc2I)ccc1F)n1cc[nH+]c1 ZINC001322132736 1067255714 /nfs/dbraw/zinc/25/57/14/1067255714.db2.gz HBPMYZHPPYHWLX-GFCCVEGCSA-N 1 2 478.265 4.079 20 0 JIADLO CCCN(Cc1nc2ccsc2c(=O)[nH]1)C(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1 ZINC001322525685 1067300937 /nfs/dbraw/zinc/30/09/37/1067300937.db2.gz WSPYILXUCUXDJO-MRXNPFEDSA-N 1 2 455.584 4.234 20 0 JIADLO Cc1ccc(-c2noc(CCC[NH+]3CCN(C(=O)[C@H]4Cc5ccc(C)cc5S4)CC3)n2)cc1 ZINC001322817446 1067309773 /nfs/dbraw/zinc/30/97/73/1067309773.db2.gz BQWSCOYGTFTGBT-HSZRJFAPSA-N 1 2 462.619 4.147 20 0 JIADLO CC(C)Cn1cccc(C(=O)N2CC[NH+](Cc3ccc(-c4ccccc4F)s3)CC2)c1=O ZINC001352247724 1067317271 /nfs/dbraw/zinc/31/72/71/1067317271.db2.gz LORYVVBNJSQTFG-UHFFFAOYSA-N 1 2 453.583 4.330 20 0 JIADLO COc1ccc(-c2nnc(N(C)Cc3nccs3)n2CCCc2cccc(C)[nH+]2)cc1OC ZINC001300007022 1067356652 /nfs/dbraw/zinc/35/66/52/1067356652.db2.gz WWNJHYBNYODHLF-UHFFFAOYSA-N 1 2 464.595 4.391 20 0 JIADLO COc1ccccc1Nc1nc(-c2ccccc2)c(CC(=O)NCC[N@@H+]2CCOC(C)(C)C2)s1 ZINC000505462998 1067389331 /nfs/dbraw/zinc/38/93/31/1067389331.db2.gz ZRSJAOQLUAORRC-UHFFFAOYSA-N 1 2 480.634 4.332 20 0 JIADLO COc1ccccc1Nc1nc(-c2ccccc2)c(CC(=O)NCC[N@H+]2CCOC(C)(C)C2)s1 ZINC000505462998 1067389347 /nfs/dbraw/zinc/38/93/47/1067389347.db2.gz ZRSJAOQLUAORRC-UHFFFAOYSA-N 1 2 480.634 4.332 20 0 JIADLO COc1ccc(-c2nnc(N3C[C@H](C)O[C@H](C(F)(F)F)C3)n2CCCNc2cccc[nH+]2)cc1 ZINC001300025357 1067395628 /nfs/dbraw/zinc/39/56/28/1067395628.db2.gz TUTOHSGVOKKUFW-LPHOPBHVSA-N 1 2 476.503 4.007 20 0 JIADLO CSc1ccc(O[C@H](C)C(=O)N2CC[NH+](Cc3ccc(OC(F)(F)F)cc3)CC2)cc1 ZINC001355324409 1067419703 /nfs/dbraw/zinc/41/97/03/1067419703.db2.gz ALZZXTSEODOFBI-MRXNPFEDSA-N 1 2 454.514 4.419 20 0 JIADLO Cc1ccccc1-c1cc(NCc2ccc(OCCn3cc[nH+]c3)c(Cl)c2)n(CCO)n1 ZINC001200046982 1067426265 /nfs/dbraw/zinc/42/62/65/1067426265.db2.gz YLPPBBKRXRFMAQ-UHFFFAOYSA-N 1 2 451.958 4.392 20 0 JIADLO C[C@H]1C[NH+](Cc2ccccc2NC(=O)c2ccc(NC(=O)Cc3cccnc3)cc2)C[C@H](C)O1 ZINC001355719945 1067562337 /nfs/dbraw/zinc/56/23/37/1067562337.db2.gz CAFLREFSBIYXQH-PMACEKPBSA-N 1 2 458.562 4.124 20 0 JIADLO Cc1cc(C(=O)NCc2cccc(Cn3cc[nH+]c3)c2)nn1-c1ccccc1Br ZINC001355977347 1067623498 /nfs/dbraw/zinc/62/34/98/1067623498.db2.gz DMZWBYNAYFRKDT-UHFFFAOYSA-N 1 2 450.340 4.118 20 0 JIADLO Fc1ccc(N2CCN(c3cc(CNc4ccc5nnc(-c6ccccc6)n5n4)cc[nH+]3)CC2)cc1 ZINC000506977773 1067669015 /nfs/dbraw/zinc/66/90/15/1067669015.db2.gz AGQJOHHRRNRMPU-UHFFFAOYSA-N 1 2 480.551 4.264 20 0 JIADLO COc1ccc(C[C@H](C)CN(C)c2nnc(C)n2C[C@H](c2cccs2)[NH+]2CCOCC2)cc1 ZINC001300100076 1067674321 /nfs/dbraw/zinc/67/43/21/1067674321.db2.gz RVRMVWLVYIWEMJ-WMZHIEFXSA-N 1 2 469.655 4.045 20 0 JIADLO C[C@@H](NC(=O)c1cccc(Cn2cc[nH+]c2)c1)c1nc(-c2ccc(Br)cc2)no1 ZINC001356163311 1067678084 /nfs/dbraw/zinc/67/80/84/1067678084.db2.gz JMRYQXXINVXQBU-CQSZACIVSA-N 1 2 452.312 4.235 20 0 JIADLO CC(=O)N1CC[C@@H](NC(=O)[C@H](c2cccc(Br)c2)[NH+]2CCCC2)c2ccccc21 ZINC001356404726 1067745288 /nfs/dbraw/zinc/74/52/88/1067745288.db2.gz XBBKJJYMPAYZRO-IRLDBZIGSA-N 1 2 456.384 4.200 20 0 JIADLO COc1ccccc1Nc1nc(-c2ccccc2)c(CC(=O)NCC[N@@H+]2CCOCC2(C)C)s1 ZINC000476490208 1067799534 /nfs/dbraw/zinc/79/95/34/1067799534.db2.gz HBYQDGUQLUCECW-UHFFFAOYSA-N 1 2 480.634 4.332 20 0 JIADLO COc1ccccc1Nc1nc(-c2ccccc2)c(CC(=O)NCC[N@H+]2CCOCC2(C)C)s1 ZINC000476490208 1067799541 /nfs/dbraw/zinc/79/95/41/1067799541.db2.gz HBYQDGUQLUCECW-UHFFFAOYSA-N 1 2 480.634 4.332 20 0 JIADLO COc1ccc(CN(C)c2nnc(C3CCCC3)n2Cc2ccc(N(C)C)[nH+]c2)cc1OC ZINC001300169812 1067828152 /nfs/dbraw/zinc/82/81/52/1067828152.db2.gz FMMMPYABXOMWTG-UHFFFAOYSA-N 1 2 450.587 4.099 20 0 JIADLO Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)[C@H]2CC(=O)N(c3ccc(Cl)c(F)c3)C2)c(C)c1 ZINC001357329713 1067835127 /nfs/dbraw/zinc/83/51/27/1067835127.db2.gz GGCSOJDCPKQSGL-HTAPYJJXSA-N 1 2 454.933 4.203 20 0 JIADLO Cc1cc(I)cc(C(=O)Nc2cccc([C@@H](C)[NH+]3CCOCC3)c2)c1 ZINC001353105750 1067867355 /nfs/dbraw/zinc/86/73/55/1067867355.db2.gz ICPVMOVZFVWFOO-OAHLLOKOSA-N 1 2 450.320 4.245 20 0 JIADLO C[C@H](CSC(F)(F)F)C(=O)NCc1cc[nH+]c(N2CCN(c3ccc(F)cc3)CC2)c1 ZINC001357552478 1067868817 /nfs/dbraw/zinc/86/88/17/1067868817.db2.gz OOYUAXVZQCBCPC-OAHLLOKOSA-N 1 2 456.509 4.053 20 0 JIADLO C[C@H](c1cccc(NC(=O)N[C@@H]2CCCN(c3ccccc3Cl)C2=O)c1)[NH+]1CCOCC1 ZINC001200234025 1067878329 /nfs/dbraw/zinc/87/83/29/1067878329.db2.gz YBHUJPONMZCEQI-DYESRHJHSA-N 1 2 456.974 4.050 20 0 JIADLO COc1ccc(Cn2c(CC(C)(C)C)nnc2N2CC[NH+](Cc3cnc(C)s3)CC2)cc1 ZINC001300213034 1067883065 /nfs/dbraw/zinc/88/30/65/1067883065.db2.gz KTEVSOLWRKFKRX-UHFFFAOYSA-N 1 2 454.644 4.011 20 0 JIADLO COc1ccc(Cn2c(CC(C)(C)C)nnc2N2CCN(c3cccc[nH+]3)CC2)cc1Cl ZINC001300213924 1067884357 /nfs/dbraw/zinc/88/43/57/1067884357.db2.gz ZTMJFTWZMPTWIF-UHFFFAOYSA-N 1 2 455.006 4.299 20 0 JIADLO COc1ccc(C[NH+]2CCN(c3nnc(-c4cccnc4)n3CCSCC(C)C)CC2)cc1F ZINC001300230583 1067908724 /nfs/dbraw/zinc/90/87/24/1067908724.db2.gz KFAYOGXAESUCCZ-UHFFFAOYSA-N 1 2 484.645 4.199 20 0 JIADLO COc1ccc(F)cc1C[NH+]1CCN(c2nnc(C(C)(C)C)n2C[C@@](C)(O)CCC(C)C)CC1 ZINC001300245088 1067965145 /nfs/dbraw/zinc/96/51/45/1067965145.db2.gz FMYASNLLCFNVNW-SANMLTNESA-N 1 2 475.653 4.233 20 0 JIADLO COc1ccc(F)cc1C[NH+]1CCN(c2nnc(C(C)(C)C)n2C[C@H](OC)C(C)(C)C)CC1 ZINC001300245767 1067971193 /nfs/dbraw/zinc/97/11/93/1067971193.db2.gz ZUSLJJWKWKYBPI-NRFANRHFSA-N 1 2 461.626 4.107 20 0 JIADLO COc1ccc(F)cc1C[NH+]1CCN(c2nnc(CC(C)(C)C)n2C[C@@]2(O)CCCC2(C)C)CC1 ZINC001300246908 1067977170 /nfs/dbraw/zinc/97/71/70/1067977170.db2.gz FOKVJDWAQQNIQE-MHZLTWQESA-N 1 2 487.664 4.278 20 0 JIADLO C[C@H](Oc1ccccc1C(F)(F)F)C(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1C[N@H+](C)CCO1 ZINC001358071580 1068008009 /nfs/dbraw/zinc/00/80/09/1068008009.db2.gz HMEDIOTURPIHMP-VHKYSDTDSA-N 1 2 456.892 4.314 20 0 JIADLO C[C@H](Oc1ccccc1C(F)(F)F)C(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC001358071580 1068008027 /nfs/dbraw/zinc/00/80/27/1068008027.db2.gz HMEDIOTURPIHMP-VHKYSDTDSA-N 1 2 456.892 4.314 20 0 JIADLO CCCN(CC)C(=O)c1ccc(C(=O)N[C@@H](c2ccc(Cl)cc2)[C@H]2C[N@H+](C)CCO2)cc1 ZINC001358072417 1068010010 /nfs/dbraw/zinc/01/00/10/1068010010.db2.gz OGZSDMVCJBLTIQ-PKTZIBPZSA-N 1 2 458.002 4.014 20 0 JIADLO CCCN(CC)C(=O)c1ccc(C(=O)N[C@@H](c2ccc(Cl)cc2)[C@H]2C[N@@H+](C)CCO2)cc1 ZINC001358072417 1068010024 /nfs/dbraw/zinc/01/00/24/1068010024.db2.gz OGZSDMVCJBLTIQ-PKTZIBPZSA-N 1 2 458.002 4.014 20 0 JIADLO CCc1ccc(Br)cc1C(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC001358072657 1068010739 /nfs/dbraw/zinc/01/07/39/1068010739.db2.gz QEMNSKZVZPCRQR-VQTJNVASSA-N 1 2 451.792 4.467 20 0 JIADLO CCc1ccc(Br)cc1C(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC001358072657 1068010752 /nfs/dbraw/zinc/01/07/52/1068010752.db2.gz QEMNSKZVZPCRQR-VQTJNVASSA-N 1 2 451.792 4.467 20 0 JIADLO COc1ccc(-c2ncc(C(=O)N[C@H](c3ccc(Cl)cc3)[C@@H]3C[N@H+](C)CCO3)s2)cc1 ZINC001358073086 1068011387 /nfs/dbraw/zinc/01/13/87/1068011387.db2.gz SJQYVWOGKDMIGX-PZJWPPBQSA-N 1 2 457.983 4.274 20 0 JIADLO COc1ccc(-c2ncc(C(=O)N[C@H](c3ccc(Cl)cc3)[C@@H]3C[N@@H+](C)CCO3)s2)cc1 ZINC001358073086 1068011403 /nfs/dbraw/zinc/01/14/03/1068011403.db2.gz SJQYVWOGKDMIGX-PZJWPPBQSA-N 1 2 457.983 4.274 20 0 JIADLO COc1ccc(OCc2nnc(N(C)[C@@H]3CCSC3)n2CCCc2cccc(C)[nH+]2)cc1 ZINC001300264747 1068033628 /nfs/dbraw/zinc/03/36/28/1068033628.db2.gz KVDOPQSVCUHKON-HXUWFJFHSA-N 1 2 453.612 4.144 20 0 JIADLO CCOc1ccc(-n2c3nnc(CSc4nc(N)cc(C)[nH+]4)n3c3cc(Cl)ccc3c2=O)cc1 ZINC000494480703 1068148549 /nfs/dbraw/zinc/14/85/49/1068148549.db2.gz ZEPMMNOVEWLYBF-UHFFFAOYSA-N 1 2 493.980 4.058 20 0 JIADLO COCCn1ccc(NC(=O)NC[C@H](c2ccc(SC)cc2)[N@@H+]2CCc3sccc3C2)n1 ZINC000513926059 1068249347 /nfs/dbraw/zinc/24/93/47/1068249347.db2.gz PFFLORRTFNLWEV-HXUWFJFHSA-N 1 2 471.652 4.234 20 0 JIADLO COCCn1ccc(NC(=O)NC[C@H](c2ccc(SC)cc2)[N@H+]2CCc3sccc3C2)n1 ZINC000513926059 1068249374 /nfs/dbraw/zinc/24/93/74/1068249374.db2.gz PFFLORRTFNLWEV-HXUWFJFHSA-N 1 2 471.652 4.234 20 0 JIADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)[C@@H](Sc1ccc(F)c(Cl)c1)c1ccccc1 ZINC000517508554 1068295564 /nfs/dbraw/zinc/29/55/64/1068295564.db2.gz MIZTYVBXLWFQHW-QFIPXVFZSA-N 1 2 474.989 4.480 20 0 JIADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)c1ccccc1OCc1ccc(Cl)cc1Cl ZINC000518229773 1068304655 /nfs/dbraw/zinc/30/46/55/1068304655.db2.gz WFWFHZKATJXNHC-UHFFFAOYSA-N 1 2 475.376 4.353 20 0 JIADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)c1sc(-c2ccccc2)nc1-c1ccccc1 ZINC000518232041 1068304747 /nfs/dbraw/zinc/30/47/47/1068304747.db2.gz KTYYRNLLSXVPLC-UHFFFAOYSA-N 1 2 459.575 4.258 20 0 JIADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)c1ccc(Oc2ccc(Br)cc2)c(F)c1 ZINC000518745921 1068311182 /nfs/dbraw/zinc/31/11/82/1068311182.db2.gz YPGCROVRLZSQNS-UHFFFAOYSA-N 1 2 489.345 4.162 20 0 JIADLO CC(C)c1ccc(-c2nn(-c3ccccc3)cc2C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)cc1 ZINC000520916326 1068329138 /nfs/dbraw/zinc/32/91/38/1068329138.db2.gz XFURNFPIWVEOQA-UHFFFAOYSA-N 1 2 484.604 4.444 20 0 JIADLO Cc1ccc(NC(=O)N2CCN(C(=O)c3cccc(CNc4cc[nH+]c(C)n4)c3)CC2)cc1Cl ZINC000622313533 1068360926 /nfs/dbraw/zinc/36/09/26/1068360926.db2.gz QOBZCFUTMJNRIA-UHFFFAOYSA-N 1 2 478.984 4.349 20 0 JIADLO O=C(COCCOc1ccccc1)N1CC[NH+](Cc2ccc(-c3cccc(F)c3)s2)CC1 ZINC001353786970 1068586381 /nfs/dbraw/zinc/58/63/81/1068586381.db2.gz UTBKQBSQPARATN-UHFFFAOYSA-N 1 2 454.567 4.294 20 0 JIADLO O=C(NCc1ccc(Cn2cccn2)cc1)[C@@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC001354021743 1068839089 /nfs/dbraw/zinc/83/90/89/1068839089.db2.gz GPCGYKKQMDBJEP-JOCHJYFZSA-N 1 2 453.384 4.147 20 0 JIADLO COc1ccccc1[C@@H](NCc1ccc(OCCn2cc[nH+]c2)c(Cl)c1)c1noc(C)n1 ZINC001200591294 1068975540 /nfs/dbraw/zinc/97/55/40/1068975540.db2.gz WONJZUCAXXLKEQ-JOCHJYFZSA-N 1 2 453.930 4.195 20 0 JIADLO CC(C)Cn1cc([C@@H]2N(C(=O)[C@H](c3ccccc3)[NH+]3CCSCC3)CC23CCOCC3)cn1 ZINC000849531341 1069134768 /nfs/dbraw/zinc/13/47/68/1069134768.db2.gz CENNDVAUCJNTSU-ZEQRLZLVSA-N 1 2 468.667 4.009 20 0 JIADLO Cc1nc(NCc2cccc(C(=O)N3CC4(CCOCC4)[C@@H]3c3cnn(CC(C)C)c3)c2)cc[nH+]1 ZINC000849541838 1069172611 /nfs/dbraw/zinc/17/26/11/1069172611.db2.gz SLANFYTYSOFBHG-VWLOTQADSA-N 1 2 474.609 4.244 20 0 JIADLO FC(F)(c1c2c(nnc1Cl)CCC2)N1CCO[C@@H](c2[nH+]cn3c2cccc3Br)C1 ZINC001164417075 718891156 /nfs/dbraw/zinc/89/11/56/718891156.db2.gz HJOCYJILIHBAFO-CQSZACIVSA-N 1 2 484.732 4.152 20 0 JIADLO FC(F)(c1nc2ccc(Cl)nc2[nH]1)N1CCO[C@@H](c2[nH+]cn3c2cccc3Br)C1 ZINC001164416713 718891236 /nfs/dbraw/zinc/89/12/36/718891236.db2.gz FWDCEKINIASRDG-GFCCVEGCSA-N 1 2 483.704 4.144 20 0 JIADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ccc(N3CCCCC3)nn1)CC2 ZINC001164660522 719345520 /nfs/dbraw/zinc/34/55/20/719345520.db2.gz IDSQMDUOCYLGAK-UHFFFAOYSA-N 1 2 457.626 4.162 20 0 JIADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ccc(N3CCCCC3)nn1)CC2 ZINC001164660522 719345523 /nfs/dbraw/zinc/34/55/23/719345523.db2.gz IDSQMDUOCYLGAK-UHFFFAOYSA-N 1 2 457.626 4.162 20 0 JIADLO CCOC(=O)c1ccc(N2CCC3(CC2)c2ncc(-c4ccccc4)n2CC[N@H+]3CC)nc1C ZINC001164663014 719345829 /nfs/dbraw/zinc/34/58/29/719345829.db2.gz CBBBZXVGUOOOKK-UHFFFAOYSA-N 1 2 459.594 4.261 20 0 JIADLO CCOC(=O)c1ccc(N2CCC3(CC2)c2ncc(-c4ccccc4)n2CC[N@@H+]3CC)nc1C ZINC001164663014 719345831 /nfs/dbraw/zinc/34/58/31/719345831.db2.gz CBBBZXVGUOOOKK-UHFFFAOYSA-N 1 2 459.594 4.261 20 0 JIADLO CCOC(=O)c1cc(C)cc(N2CCC3(CC2)c2ncc(-c4ccccc4)n2CC[N@H+]3CC)n1 ZINC001164662946 719347458 /nfs/dbraw/zinc/34/74/58/719347458.db2.gz BIVFZUQOKPWEIW-UHFFFAOYSA-N 1 2 459.594 4.261 20 0 JIADLO CCOC(=O)c1cc(C)cc(N2CCC3(CC2)c2ncc(-c4ccccc4)n2CC[N@@H+]3CC)n1 ZINC001164662946 719347461 /nfs/dbraw/zinc/34/74/61/719347461.db2.gz BIVFZUQOKPWEIW-UHFFFAOYSA-N 1 2 459.594 4.261 20 0 JIADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1cc3nc(C(=O)OC)cc-3c[nH]1)CC2 ZINC001164658424 719353345 /nfs/dbraw/zinc/35/33/45/719353345.db2.gz GOEBFSXEGCBWPE-UHFFFAOYSA-N 1 2 470.577 4.044 20 0 JIADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1cc3nc(C(=O)OC)cc-3c[nH]1)CC2 ZINC001164658424 719353348 /nfs/dbraw/zinc/35/33/48/719353348.db2.gz GOEBFSXEGCBWPE-UHFFFAOYSA-N 1 2 470.577 4.044 20 0 JIADLO COC(=O)c1ccc2nc(Cl)c(N3CCC4(CC3)COCC[N@@H+]4Cc3ccc(F)cc3)nc2c1 ZINC001164671129 719496352 /nfs/dbraw/zinc/49/63/52/719496352.db2.gz BSIWPRZWLDPYCD-UHFFFAOYSA-N 1 2 484.959 4.080 20 0 JIADLO COC(=O)c1ccc2nc(Cl)c(N3CCC4(CC3)COCC[N@H+]4Cc3ccc(F)cc3)nc2c1 ZINC001164671129 719496356 /nfs/dbraw/zinc/49/63/56/719496356.db2.gz BSIWPRZWLDPYCD-UHFFFAOYSA-N 1 2 484.959 4.080 20 0 JIADLO CCOC(=O)c1cc(Cl)nc(N2CCC3(CC2)COCC[N@@H+]3Cc2ccc(F)cc2)c1C ZINC001164672247 719505613 /nfs/dbraw/zinc/50/56/13/719505613.db2.gz HWKYQSXJXKQYNY-UHFFFAOYSA-N 1 2 461.965 4.231 20 0 JIADLO CCOC(=O)c1cc(Cl)nc(N2CCC3(CC2)COCC[N@H+]3Cc2ccc(F)cc2)c1C ZINC001164672247 719505614 /nfs/dbraw/zinc/50/56/14/719505614.db2.gz HWKYQSXJXKQYNY-UHFFFAOYSA-N 1 2 461.965 4.231 20 0 JIADLO COc1cc2ccc(N3CCC4(CC3)COCC[N@@H+]4Cc3ccc(F)cc3)nc2cc1OC ZINC001164671588 719512973 /nfs/dbraw/zinc/51/29/73/719512973.db2.gz GHNHAKIFVUOEKD-UHFFFAOYSA-N 1 2 451.542 4.263 20 0 JIADLO COc1cc2ccc(N3CCC4(CC3)COCC[N@H+]4Cc3ccc(F)cc3)nc2cc1OC ZINC001164671588 719512992 /nfs/dbraw/zinc/51/29/92/719512992.db2.gz GHNHAKIFVUOEKD-UHFFFAOYSA-N 1 2 451.542 4.263 20 0 JIADLO Cc1ccc(-c2cc(C(F)(F)N3CCc4onc(Cn5cc[nH+]c5)c4C3)c(Cl)nn2)cc1 ZINC001164676323 719568443 /nfs/dbraw/zinc/56/84/43/719568443.db2.gz ASUSQSQYHSKGOS-UHFFFAOYSA-N 1 2 456.884 4.446 20 0 JIADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nc2ccc(Cl)cc2c(-c2ccccc2)n1 ZINC001164708474 719867489 /nfs/dbraw/zinc/86/74/89/719867489.db2.gz ZKWPPFLYMPGROT-IBVKSMDESA-N 1 2 480.996 4.183 20 0 JIADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4cc5nc(Cl)cnc5cc4Cl)CC3)C2=O)cs1 ZINC001164825656 720367668 /nfs/dbraw/zinc/36/76/68/720367668.db2.gz SPLGMZNSONVASP-UHFFFAOYSA-N 1 2 491.448 4.015 20 0 JIADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4cc5nc(Cl)cnc5cc4Cl)CC3)C2=O)cs1 ZINC001164825656 720367676 /nfs/dbraw/zinc/36/76/76/720367676.db2.gz SPLGMZNSONVASP-UHFFFAOYSA-N 1 2 491.448 4.015 20 0 JIADLO FC(F)(c1cc(Cl)nc2c1CCCCC2)N1CCO[C@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164915305 721801372 /nfs/dbraw/zinc/80/13/72/721801372.db2.gz VZSSXJVQYODWAJ-XMMPIXPASA-N 1 2 492.998 4.052 20 0 JIADLO FC(F)(c1cc(Cl)nc2c1CCCCC2)N1CCO[C@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164915305 721801373 /nfs/dbraw/zinc/80/13/73/721801373.db2.gz VZSSXJVQYODWAJ-XMMPIXPASA-N 1 2 492.998 4.052 20 0 JIADLO CCOC(=O)c1c(Cl)c2ccccc2nc1N1CCC2(CC1)c1[nH+]cc(C)n1CCN2C ZINC001164917852 721819024 /nfs/dbraw/zinc/81/90/24/721819024.db2.gz JSBSFHZNJKBCDK-UHFFFAOYSA-N 1 2 453.974 4.011 20 0 JIADLO Cc1cnc2n1CC[N@@H+](C)C21CCN(C(F)(F)c2cc(-c3ccccc3)nnc2Cl)CC1 ZINC001164918870 721819277 /nfs/dbraw/zinc/81/92/77/721819277.db2.gz WJLFKPWKTGRSBR-UHFFFAOYSA-N 1 2 458.944 4.288 20 0 JIADLO Cc1cnc2n1CC[N@H+](C)C21CCN(C(F)(F)c2cc(-c3ccccc3)nnc2Cl)CC1 ZINC001164918870 721819280 /nfs/dbraw/zinc/81/92/80/721819280.db2.gz WJLFKPWKTGRSBR-UHFFFAOYSA-N 1 2 458.944 4.288 20 0 JIADLO C[NH+]1CCN(C(=O)c2ccc(NC(=S)Nc3ccc(F)c(F)c3)cc2C(F)(F)F)CC1 ZINC001200700620 1069321648 /nfs/dbraw/zinc/32/16/48/1069321648.db2.gz ZQLWNEWKJQBIBI-UHFFFAOYSA-N 1 2 458.456 4.180 20 0 JIADLO COc1ccccc1SCc1nnc(N(C)Cc2ccc(C)o2)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001300669744 1069398073 /nfs/dbraw/zinc/39/80/73/1069398073.db2.gz RRGDQEXMUHJFSU-UHFFFAOYSA-N 1 2 485.654 4.228 20 0 JIADLO COc1ccccc1SCc1nnc(N(C)Cc2ccc(C)o2)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001300669744 1069398093 /nfs/dbraw/zinc/39/80/93/1069398093.db2.gz RRGDQEXMUHJFSU-UHFFFAOYSA-N 1 2 485.654 4.228 20 0 JIADLO COc1ccccc1SCc1nnc(N2CCC(C)CC2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001300673064 1069413284 /nfs/dbraw/zinc/41/32/84/1069413284.db2.gz VWZLQARSPKELOH-UHFFFAOYSA-N 1 2 452.628 4.325 20 0 JIADLO COc1ccccc1SCc1nnc(N2CCC[C@](C)(OC)CC2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001300679052 1069438253 /nfs/dbraw/zinc/43/82/53/1069438253.db2.gz JEMUXIFXPGTLLK-SANMLTNESA-N 1 2 496.681 4.484 20 0 JIADLO CC(=O)NC1CCC(N(C)c2nnc(COc3ccc(F)cc3)n2CCCc2cccc(C)[nH+]2)CC1 ZINC001359414362 1069537775 /nfs/dbraw/zinc/53/77/75/1069537775.db2.gz JHGIAPPCVGMTKU-UHFFFAOYSA-N 1 2 494.615 4.216 20 0 JIADLO CC(C)(C)Cc1nnc(N2CCC[C@@H](C(F)F)C2)n1C[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001359534082 1069826826 /nfs/dbraw/zinc/82/68/26/1069826826.db2.gz OFTKHTFBCDDUIU-RTWAWAEBSA-N 1 2 461.601 4.249 20 0 JIADLO CC(C)(C)Cc1nnc(N2CCC[C@@H](C(F)F)C2)n1C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001359534082 1069826827 /nfs/dbraw/zinc/82/68/27/1069826827.db2.gz OFTKHTFBCDDUIU-RTWAWAEBSA-N 1 2 461.601 4.249 20 0 JIADLO CC(C)(C)Cc1nnc(N2CC[NH+](Cc3cccc(Cl)c3)CC2)n1CCCOC(F)F ZINC001359540015 1069837143 /nfs/dbraw/zinc/83/71/43/1069837143.db2.gz DZPHHXHRIFHGKT-UHFFFAOYSA-N 1 2 455.981 4.472 20 0 JIADLO CC(C)=CCCn1c(COc2ccc(Cl)cc2)nnc1N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC001359612842 1070077375 /nfs/dbraw/zinc/07/73/75/1070077375.db2.gz DOYATTBXILMKOR-UHFFFAOYSA-N 1 2 468.005 4.292 20 0 JIADLO CC(C)c1nnc(N(C)[C@H](C)c2ccc(S(C)(=O)=O)cc2)n1Cc1ccc(N2CCCC2)[nH+]c1 ZINC001359676438 1070330406 /nfs/dbraw/zinc/33/04/06/1070330406.db2.gz IOXBRLHRTXQHBU-LJQANCHMSA-N 1 2 482.654 4.046 20 0 JIADLO CC(C)c1nnc(N2C[C@H](C)[C@H](NC(=O)OC(C)(C)C)C2)n1C[C@H](c1c(F)cccc1F)[NH+](C)C ZINC001359690031 1070346459 /nfs/dbraw/zinc/34/64/59/1070346459.db2.gz XSWIAQCFMZRRST-PWIZWCRZSA-N 1 2 492.615 4.332 20 0 JIADLO CC(C)c1nnc(N2CC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C2)n1Cc1ccccc1-n1cc[nH+]c1 ZINC001359691906 1070349611 /nfs/dbraw/zinc/34/96/11/1070349611.db2.gz BGRRWDZIWVFKOQ-PMACEKPBSA-N 1 2 479.629 4.375 20 0 JIADLO COc1ccc(Cn2c(C(C)C)nnc2N2CCN(c3cc(C)[nH+]c(C(C)C)n3)CC2)cc1F ZINC001315485394 1064354630 /nfs/dbraw/zinc/35/46/30/1064354630.db2.gz OPILGLUDFQJCJK-UHFFFAOYSA-N 1 2 467.593 4.146 20 0 JIADLO COc1ccc(C[NH+]2CCN(c3nnc(CC(C)C)n3CC(C)(C)c3ccccn3)CC2)cc1F ZINC001315504796 1064416599 /nfs/dbraw/zinc/41/65/99/1064416599.db2.gz IWTNKSOWTZCCCT-UHFFFAOYSA-N 1 2 480.632 4.319 20 0 JIADLO COc1ccc(C[NH+]2CCN(c3nnc(CC(C)C)n3C[C@@H]3CCSC3(C)C)CC2)cc1F ZINC001315504856 1064416611 /nfs/dbraw/zinc/41/66/11/1064416611.db2.gz KVPFNWKFDQDQIO-FQEVSTJZSA-N 1 2 475.678 4.478 20 0 JIADLO COc1ccc(C[NH+]2CCN(c3nnc(C4CC4)n3C[C@@H](SC)C(C)(C)C)CC2)cc1F ZINC001315504903 1064417141 /nfs/dbraw/zinc/41/71/41/1064417141.db2.gz LWSGOYJQDUJYPU-OAQYLSRUSA-N 1 2 461.651 4.403 20 0 JIADLO COc1ccc(C[NH+]2CCN(c3nnc(C(C)(C)C)n3CCc3sc(C)nc3C)CC2)cc1F ZINC001315505369 1064418682 /nfs/dbraw/zinc/41/86/82/1064418682.db2.gz UJZBNOKTYSQIAS-UHFFFAOYSA-N 1 2 486.661 4.362 20 0 JIADLO COc1ccc(F)cc1C[NH+]1CCN(c2nnc(-c3ccccn3)n2CC(C)(C)C(F)(F)F)CC1 ZINC001315515860 1064463303 /nfs/dbraw/zinc/46/33/03/1064463303.db2.gz SWXHSBDBHRMWIC-UHFFFAOYSA-N 1 2 492.521 4.399 20 0 JIADLO COc1cccc(Cl)c1Cn1c(CC(C)C)nnc1N1CCc2c(cc[nH+]c2N(C)C)C1 ZINC001315583388 1064655003 /nfs/dbraw/zinc/65/50/03/1064655003.db2.gz JMBBSSWNTQTMBL-UHFFFAOYSA-N 1 2 455.006 4.211 20 0 JIADLO COc1ccccc1-c1nnc(N(C)C[C@H](c2cccs2)[NH+]2CCOCC2)n1CCOC(C)(C)C ZINC001315592436 1064684203 /nfs/dbraw/zinc/68/42/03/1064684203.db2.gz YCUHBVTXTWEMGE-OAQYLSRUSA-N 1 2 499.681 4.340 20 0 JIADLO COc1ccccc1-c1nnc(N(C)CCOC(C)(C)C)n1Cc1ccc(N2CCCC2)[nH+]c1 ZINC001315593932 1064689996 /nfs/dbraw/zinc/68/99/96/1064689996.db2.gz BNGOZMQHIYCOKS-UHFFFAOYSA-N 1 2 464.614 4.249 20 0 JIADLO COc1ccccc1-c1nnc(N2CCN(c3cc[nH+]c(C)n3)CC2)n1C[C@@H](SC)C(C)(C)C ZINC001315608909 1064728016 /nfs/dbraw/zinc/72/80/16/1064728016.db2.gz YDZALVUBWXWNMG-OAQYLSRUSA-N 1 2 481.670 4.156 20 0 JIADLO COc1ccccc1OCc1nnc(N2CCN(c3cc(C)[nH+]c(C(C)C)n3)CC2)n1CC(C)C ZINC001315656453 1064847432 /nfs/dbraw/zinc/84/74/32/1064847432.db2.gz OUIOGTQJOOWGQC-UHFFFAOYSA-N 1 2 479.629 4.070 20 0 JIADLO COc1ccccc1SCc1nnc(N2CC[C@H](C(C)(C)C)C2)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001315666005 1064880781 /nfs/dbraw/zinc/88/07/81/1064880781.db2.gz VMNSGGMARVADOP-PMACEKPBSA-N 1 2 473.687 4.172 20 0 JIADLO COc1ccccc1SCc1nnc(N2CC[C@H](C(C)(C)C)C2)n1CC[N@H+]1CCOC[C@@H]1C ZINC001315666005 1064880786 /nfs/dbraw/zinc/88/07/86/1064880786.db2.gz VMNSGGMARVADOP-PMACEKPBSA-N 1 2 473.687 4.172 20 0 JIADLO COc1cc[nH+]cc1Cn1c(-c2ccc(Br)s2)nnc1N1CC[C@H](C)[C@H](OC)C1 ZINC001315668655 1064892785 /nfs/dbraw/zinc/89/27/85/1064892785.db2.gz BTTXSJMROMKLNJ-XJKSGUPXSA-N 1 2 478.416 4.082 20 0 JIADLO COc1cc[nH+]cc1Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N(C)Cc1ccc(C)o1 ZINC001315669618 1064897577 /nfs/dbraw/zinc/89/75/77/1064897577.db2.gz DMGUWOCSVBDXEP-UHFFFAOYSA-N 1 2 460.538 4.137 20 0 JIADLO COc1cc[nH+]cc1Cn1c(-c2ccc(OCCC(C)C)cc2)nnc1N1CCCO[C@H](C)C1 ZINC001315669855 1064898070 /nfs/dbraw/zinc/89/80/70/1064898070.db2.gz OWVQNBOIIBLHKE-HXUWFJFHSA-N 1 2 465.598 4.437 20 0 JIADLO COc1cc[nH+]cc1Cn1c(C2CCCC2)nnc1N1CCC(CN(C)C(=O)OC(C)(C)C)CC1 ZINC001315671783 1064901602 /nfs/dbraw/zinc/90/16/02/1064901602.db2.gz JTCUARVPQZZWQG-UHFFFAOYSA-N 1 2 484.645 4.471 20 0 JIADLO COc1cc[nH+]cc1Cn1c(CNC(=O)c2cccs2)nnc1N(C)[C@H](C)c1ccccc1F ZINC001315673346 1064906163 /nfs/dbraw/zinc/90/61/63/1064906163.db2.gz ZUDVXLWMGHUUHF-MRXNPFEDSA-N 1 2 480.569 4.058 20 0 JIADLO CO[C@@H]1CN(c2nnc(-c3cccc(Br)c3)n2Cc2ccc(N(C)C)[nH+]c2)CC[C@@H]1C ZINC001315711749 1064990399 /nfs/dbraw/zinc/99/03/99/1064990399.db2.gz GEJLRBPOIJSGEF-OXJNMPFZSA-N 1 2 485.430 4.078 20 0 JIADLO COC[C@H](F)Cn1c(CSc2ccc(Cl)cc2)nnc1N1CCc2c(cc[nH+]c2N(C)C)C1 ZINC001315829159 1065188800 /nfs/dbraw/zinc/18/88/00/1065188800.db2.gz ZJRPMNRNLGUBEG-GOSISDBHSA-N 1 2 491.036 4.232 20 0 JIADLO COC[C@@H]1CCCCN(c2nnc(-c3cccn3C)n2C[C@H](c2c(F)cccc2F)[NH+](C)C)C1 ZINC001315880979 1065318771 /nfs/dbraw/zinc/31/87/71/1065318771.db2.gz PTIXIYJHVNUJLZ-XMSQKQJNSA-N 1 2 472.584 4.118 20 0 JIADLO COCCCn1c(-c2ccccc2Cl)nnc1N(C)C[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC001316038166 1065655080 /nfs/dbraw/zinc/65/50/80/1065655080.db2.gz CNJZCFUTOIRAML-FQEVSTJZSA-N 1 2 476.046 4.206 20 0 JIADLO COCCN(CC(C)C)c1nnc(-c2cccn2C)n1Cc1ccc(N2CCCCCC2)[nH+]c1 ZINC001316078947 1065723097 /nfs/dbraw/zinc/72/30/97/1065723097.db2.gz JCKDTLDLOHQPGX-UHFFFAOYSA-N 1 2 465.646 4.216 20 0 JIADLO COCCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1c[nH+]ccc1OC)[C@@H]1CC[C@H](C)C1 ZINC001316080110 1065725525 /nfs/dbraw/zinc/72/55/25/1065725525.db2.gz AVDWAJMBMWWFMP-BWKHYTDRSA-N 1 2 471.646 4.290 20 0 JIADLO COCCN(CC1CC1)c1nnc(-c2cccc(Br)c2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001316092320 1065751892 /nfs/dbraw/zinc/75/18/92/1065751892.db2.gz QVKXZWUJWFTVHB-UHFFFAOYSA-N 1 2 485.430 4.080 20 0 JIADLO COCCN(Cc1ccc(C)o1)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1c[nH+]ccc1OC ZINC001316093991 1065755243 /nfs/dbraw/zinc/75/52/43/1065755243.db2.gz RSDVHEWANRKKTI-FYYLOGMGSA-N 1 2 483.613 4.203 20 0 JIADLO COCCN(Cc1ccco1)c1nnc(-c2ccccc2Br)n1Cc1c[nH+]ccc1OC ZINC001316095955 1065759016 /nfs/dbraw/zinc/75/90/16/1065759016.db2.gz XOVFFTCZSCZBDN-UHFFFAOYSA-N 1 2 498.381 4.406 20 0 JIADLO COCCO[C@H](C)c1nnc(N2CCC[C@@H]2c2cccc(C)c2)n1Cc1c[nH+]ccc1OC ZINC001316193326 1065886277 /nfs/dbraw/zinc/88/62/77/1065886277.db2.gz NURKXKHZDOWCEK-DENIHFKCSA-N 1 2 451.571 4.104 20 0 JIADLO CO[C@H]1CCN(c2nnc(-c3ccc(Br)cc3Cl)n2Cc2ccc(N(C)C)[nH+]c2)C1 ZINC001316325335 1066081995 /nfs/dbraw/zinc/08/19/95/1066081995.db2.gz VNDHOLGEUXYJAX-INIZCTEOSA-N 1 2 491.821 4.095 20 0 JIADLO CSC(C)(C)Cn1c(-c2cccc(Cl)c2)nnc1N1CC[NH+](Cc2cc(C)no2)CC1 ZINC001316364244 1066102359 /nfs/dbraw/zinc/10/23/59/1066102359.db2.gz GXPJIKMFLRDQSG-UHFFFAOYSA-N 1 2 461.035 4.359 20 0 JIADLO CSC(C)(C)Cn1c(-c2ccccn2)nnc1N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC001316368205 1066113103 /nfs/dbraw/zinc/11/31/03/1066113103.db2.gz WZHCGUHPIDTIDP-UHFFFAOYSA-N 1 2 466.659 4.030 20 0 JIADLO CS[C@@H](C)Cn1c(-c2ccc(-c3ccc(F)cc3)s2)nnc1N(C)CC[NH+]1CCOCC1 ZINC001316377240 1066141538 /nfs/dbraw/zinc/14/15/38/1066141538.db2.gz XJCMAOHCTVWQPT-KRWDZBQOSA-N 1 2 475.659 4.333 20 0 JIADLO CS[C@H](Cn1c(-c2cnn(C)c2)nnc1N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1)C(C)(C)C ZINC001316390516 1066163227 /nfs/dbraw/zinc/16/32/27/1066163227.db2.gz BAZNKDYMOBHDDB-HXUWFJFHSA-N 1 2 497.717 4.005 20 0 JIADLO CS[C@H](Cn1c(COc2cccc(C)c2)nnc1N1CCN(c2cc[nH+]c(C)n2)CC1)C(C)(C)C ZINC001316399387 1066176967 /nfs/dbraw/zinc/17/69/67/1066176967.db2.gz KZPMSDXSJKQIEG-JOCHJYFZSA-N 1 2 495.697 4.368 20 0 JIADLO C[C@@]1(c2ccc(Br)cc2)CC(=O)N(C[NH+]2CCC(c3nc4ccccc4o3)CC2)C1=O ZINC001325758443 1066268450 /nfs/dbraw/zinc/26/84/50/1066268450.db2.gz QVJIWLCRGZYPMJ-DEOSSOPVSA-N 1 2 482.378 4.444 20 0 JIADLO CCOc1ccccc1C(=O)NCCCC(=O)Nc1ccc2nc(C[NH+]3CCCCC3)[nH]c2c1 ZINC001325992732 1066278413 /nfs/dbraw/zinc/27/84/13/1066278413.db2.gz TWKAYVXXANANOI-UHFFFAOYSA-N 1 2 463.582 4.096 20 0 JIADLO CSC[C@@H]1CCCN1c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001316435184 1066284761 /nfs/dbraw/zinc/28/47/61/1066284761.db2.gz VCSFPJXJZKDDLP-NSHGMRRFSA-N 1 2 480.078 4.124 20 0 JIADLO CSC[C@@H]1CCCN1c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CC[N@H+]1CCOC[C@@H]1C ZINC001316435184 1066284780 /nfs/dbraw/zinc/28/47/80/1066284780.db2.gz VCSFPJXJZKDDLP-NSHGMRRFSA-N 1 2 480.078 4.124 20 0 JIADLO CSC[C@@H]1CCCN1c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001316442355 1066304515 /nfs/dbraw/zinc/30/45/15/1066304515.db2.gz KJPBGCMPMATNDT-QKNQBKEWSA-N 1 2 458.676 4.038 20 0 JIADLO Cc1cccc(-c2nnc(N(C)CCCOc3ccc(F)cc3)n2Cc2ccc(N(C)C)[nH+]c2)n1 ZINC001492502894 1066310580 /nfs/dbraw/zinc/31/05/80/1066310580.db2.gz NEQZGJRKQMDOJN-UHFFFAOYSA-N 1 2 475.572 4.202 20 0 JIADLO CC(C)n1cc(C(=O)Nc2ccc3nc(C[NH+]4CCCCC4)[nH]c3c2)c(C2CCOCC2)n1 ZINC001328523397 1066325148 /nfs/dbraw/zinc/32/51/48/1066325148.db2.gz DXALXSUWQRXSLW-UHFFFAOYSA-N 1 2 450.587 4.473 20 0 JIADLO CSCC[C@@H](C)N(C)c1nnc(Cc2ccc(F)cc2)n1CCc1cn2ccccc2[nH+]1 ZINC001316450095 1066328320 /nfs/dbraw/zinc/32/83/20/1066328320.db2.gz KGOHSYBZQGLJKK-GOSISDBHSA-N 1 2 452.603 4.476 20 0 JIADLO Cc1cccc(-c2nnc(N3C[C@@H](C)OC(C)(C)C3)n2C[C@@H](c2c(F)cccc2F)[NH+](C)C)n1 ZINC001492506990 1066329967 /nfs/dbraw/zinc/32/99/67/1066329967.db2.gz OITJOMLOCSZCGL-UTKZUKDTSA-N 1 2 470.568 4.233 20 0 JIADLO Cc1cccc(-c2nnc(N3CC[NH+]([C@H](C)c4ccc(F)cc4F)CC3)n2CC(F)(F)F)n1 ZINC001492517454 1066373266 /nfs/dbraw/zinc/37/32/66/1066373266.db2.gz SUBGOXYLTCOOEW-OAHLLOKOSA-N 1 2 466.458 4.372 20 0 JIADLO Cc1ncc(C[NH+]2CCN(c3nnc(-c4cccc(C)n4)n3CC(C)(C)C(F)(F)F)CC2)s1 ZINC001492518600 1066379310 /nfs/dbraw/zinc/37/93/10/1066379310.db2.gz KRSSXWQYLRXHJO-UHFFFAOYSA-N 1 2 479.576 4.324 20 0 JIADLO Cc1cccc(CCCn2c(-c3cc(F)ccc3Br)nnc2N(C)[C@H]2CCOC2)[nH+]1 ZINC001492525288 1066404537 /nfs/dbraw/zinc/40/45/37/1066404537.db2.gz PCNKZHMVGDHSCG-SFHVURJKSA-N 1 2 474.378 4.408 20 0 JIADLO Cc1cccc(CCCn2c([C@@H]3CCCCO3)nnc2N2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)[nH+]1 ZINC001492525688 1066406725 /nfs/dbraw/zinc/40/67/25/1066406725.db2.gz GQBMTUIHFDMUPU-UNMCSNQZSA-N 1 2 484.645 4.302 20 0 JIADLO Cc1cccc(CCCn2c(-c3ccc(OCCC(C)C)cc3)nnc2N2CC(=O)N(C)[C@@H](C)C2)[nH+]1 ZINC001492526309 1066415320 /nfs/dbraw/zinc/41/53/20/1066415320.db2.gz ULGUXTISTOINGI-QFIPXVFZSA-N 1 2 490.652 4.373 20 0 JIADLO Cc1nc(Cc2nnc(N3CCN(C(=O)OC(C)(C)C)CC3)n2CCCc2cccc(C)[nH+]2)cs1 ZINC001492526720 1066416184 /nfs/dbraw/zinc/41/61/84/1066416184.db2.gz JGSGPUMKCBDGLX-UHFFFAOYSA-N 1 2 497.669 4.027 20 0 JIADLO O=C(CC1c2ccccc2Oc2ccccc21)NCc1ccccc1OCC[NH+]1CCOCC1 ZINC001337928671 1066520259 /nfs/dbraw/zinc/52/02/59/1066520259.db2.gz GYMXIFUZFGZRQY-UHFFFAOYSA-N 1 2 458.558 4.342 20 0 JIADLO FC(F)OCCCn1c(-c2ccccc2Br)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC001316519190 1066521890 /nfs/dbraw/zinc/52/18/90/1066521890.db2.gz AREFGDKPOAIDJJ-UHFFFAOYSA-N 1 2 493.356 4.059 20 0 JIADLO CC[NH+](CC)Cc1csc(NC(=O)c2nn(-c3ccccc3F)cc2Br)n1 ZINC001339019335 1066573272 /nfs/dbraw/zinc/57/32/72/1066573272.db2.gz UIKJZDOXTBYJET-UHFFFAOYSA-N 1 2 452.353 4.325 20 0 JIADLO C[N@@H+](Cc1nc(C(F)(F)F)n2c1CCCC2)C[C@H](O)COc1cc(Cl)cc(Cl)c1 ZINC001474667622 1066639911 /nfs/dbraw/zinc/63/99/11/1066639911.db2.gz KKMOZEYVIWSGSC-AWEZNQCLSA-N 1 2 452.304 4.417 20 0 JIADLO C[N@H+](Cc1nc(C(F)(F)F)n2c1CCCC2)C[C@H](O)COc1cc(Cl)cc(Cl)c1 ZINC001474667622 1066639916 /nfs/dbraw/zinc/63/99/16/1066639916.db2.gz KKMOZEYVIWSGSC-AWEZNQCLSA-N 1 2 452.304 4.417 20 0 JIADLO C[C@H]1CCCN(C(=O)C2CC[NH+](CC(=O)N(CC(F)(F)F)c3ccc(Cl)cc3)CC2)C1 ZINC001317893559 1066763253 /nfs/dbraw/zinc/76/32/53/1066763253.db2.gz NXRZADKGFRMXQW-INIZCTEOSA-N 1 2 459.940 4.206 20 0 JIADLO CN(CC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)[C@H](c1ccccc1)[NH+]1CCSCC1 ZINC001348959502 1066794055 /nfs/dbraw/zinc/79/40/55/1066794055.db2.gz WHCVIKVXAQSWOW-FQEVSTJZSA-N 1 2 452.407 4.180 20 0 JIADLO COc1ccc(-c2cc(NC(=O)NCc3cccc(OCC[NH+]4CCOCC4)c3)ccc2OC)cc1 ZINC001318031118 1066860706 /nfs/dbraw/zinc/86/07/06/1066860706.db2.gz QITLEMQHIYHXJG-UHFFFAOYSA-N 1 2 491.588 4.404 20 0 JIADLO CCN(CC)S(=O)(=O)c1ccc(Oc2ccccc2)c(NC(=O)C[C@H](C)n2cc[nH+]c2)c1 ZINC001349887404 1066892251 /nfs/dbraw/zinc/89/22/51/1066892251.db2.gz XSMKHPNAFHDHOX-SFHVURJKSA-N 1 2 456.568 4.296 20 0 JIADLO COc1ccc(COCC(=O)N2CC[NH+](Cc3ccc(-c4cccc(F)c4)s3)CC2)cc1 ZINC001350237190 1066935529 /nfs/dbraw/zinc/93/55/29/1066935529.db2.gz KEYWMUPWNLBYNU-UHFFFAOYSA-N 1 2 454.567 4.424 20 0 JIADLO Cc1cccc(NC(=O)CSCC(=O)Nc2ccc3nc(C[NH+]4CCCCC4)[nH]c3c2)c1 ZINC001318241472 1066979561 /nfs/dbraw/zinc/97/95/61/1066979561.db2.gz VNQAFPIGPAUFSU-UHFFFAOYSA-N 1 2 451.596 4.168 20 0 JIADLO C[C@@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)N[C@@H]1CCCc2c1cnn2Cc1ccccc1 ZINC001318258651 1066987379 /nfs/dbraw/zinc/98/73/79/1066987379.db2.gz ALQZPDXVPKNMFU-WNCULLNHSA-N 1 2 487.648 4.241 20 0 JIADLO Cc1ccccc1C(F)(F)C(=O)NCc1cc[nH+]c(N2CCN(c3ccc(F)cc3)CC2)c1 ZINC001350781413 1067001231 /nfs/dbraw/zinc/00/12/31/1067001231.db2.gz BNAXONQLWXXSKK-UHFFFAOYSA-N 1 2 454.496 4.264 20 0 JIADLO CCOC(=O)c1ccc(C(=O)N2CC[NH+](Cc3ccc(-c4ccccc4F)s3)CC2)nc1 ZINC001350808933 1067004899 /nfs/dbraw/zinc/00/48/99/1067004899.db2.gz YJSRHCXBLGOZQQ-UHFFFAOYSA-N 1 2 453.539 4.084 20 0 JIADLO CN(C(=O)OC(C)(C)C)C1(C)CC[NH+]([C@@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C2=O)CC1 ZINC001318363547 1067031655 /nfs/dbraw/zinc/03/16/55/1067031655.db2.gz QDTZOZQFQXNPFU-QGZVFWFLSA-N 1 2 469.504 4.059 20 0 JIADLO O=C(Nc1ccc2nc(C[NH+]3CCCCC3)[nH]c2c1)[C@@H]1CC(=O)N(c2ccccc2Cl)C1 ZINC001318416854 1067040643 /nfs/dbraw/zinc/04/06/43/1067040643.db2.gz DOYJOBXMAADUQR-MRXNPFEDSA-N 1 2 451.958 4.194 20 0 JIADLO O=C(Nc1ccc2nc(C[NH+]3CCCCC3)[nH]c2c1)[C@H]1CC(=O)N(c2ccccc2Cl)C1 ZINC001318416850 1067040734 /nfs/dbraw/zinc/04/07/34/1067040734.db2.gz DOYJOBXMAADUQR-INIZCTEOSA-N 1 2 451.958 4.194 20 0 JIADLO COc1cc[nH+]cc1Cn1c(-c2ccccc2Br)nnc1N(C)C[C@@H]1CCCCO1 ZINC001300693184 1067043756 /nfs/dbraw/zinc/04/37/56/1067043756.db2.gz QKHOHMHCABDNBD-KRWDZBQOSA-N 1 2 472.387 4.165 20 0 JIADLO COc1cc[nH+]cc1Cn1c(-c2ccccn2)nnc1N(C)Cc1ccccc1Br ZINC001300693522 1067045445 /nfs/dbraw/zinc/04/54/45/1067045445.db2.gz UARUTKOMERCCLN-UHFFFAOYSA-N 1 2 465.355 4.191 20 0 JIADLO COc1cc[nH+]cc1Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCOC(C)(C)[C@@H]1C ZINC001300693635 1067045982 /nfs/dbraw/zinc/04/59/82/1067045982.db2.gz IJNKFJQYJJGLLO-HNNXBMFYSA-N 1 2 459.497 4.002 20 0 JIADLO COc1cc[nH+]cc1Cn1c([C@@H](C)Oc2ccccc2F)nnc1N(C)CCC1CCOCC1 ZINC001300694203 1067047735 /nfs/dbraw/zinc/04/77/35/1067047735.db2.gz PACWDPHUGVLSHY-GOSISDBHSA-N 1 2 469.561 4.262 20 0 JIADLO COc1cc[nH+]cc1Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)CCOc1ccc(C)cc1 ZINC001300694371 1067048295 /nfs/dbraw/zinc/04/82/95/1067048295.db2.gz RATRUYTXOJGLCS-UHFFFAOYSA-N 1 2 497.397 4.311 20 0 JIADLO COc1cc[nH+]cc1Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCO[C@H](C(C)(C)C)C1 ZINC001300694978 1067050362 /nfs/dbraw/zinc/05/03/62/1067050362.db2.gz ZEMLONYUYVVPJS-FQEVSTJZSA-N 1 2 459.953 4.441 20 0 JIADLO COc1cc[nH+]cc1Cn1c([C@H]2CCCCO2)nnc1N(C)CCCOc1ccccc1C ZINC001300696570 1067054146 /nfs/dbraw/zinc/05/41/46/1067054146.db2.gz FTWXYRKKWOAZHV-HSZRJFAPSA-N 1 2 451.571 4.185 20 0 JIADLO CC(C)(C)OC(=O)N1CCC[C@H](C2CCN(C(=O)c3ccc(Cn4cc[nH+]c4)cc3)CC2)C1 ZINC001300709247 1067079862 /nfs/dbraw/zinc/07/98/62/1067079862.db2.gz VOUVXCFYQZJHEN-QHCPKHFHSA-N 1 2 452.599 4.431 20 0 JIADLO C[C@H](C(=O)Nc1cc(Cl)c(NC(=O)c2ccc(S(C)(=O)=O)cc2)c(Cl)c1)n1cc[nH+]c1 ZINC001320179423 1067086626 /nfs/dbraw/zinc/08/66/26/1067086626.db2.gz MSSDSKBPBCGKBY-GFCCVEGCSA-N 1 2 481.361 4.045 20 0 JIADLO CS[C@@H]1CC[C@@H](N(C)C(=O)c2cccnc2N2CC[NH+](Cc3cccc(Cl)c3)CC2)C1 ZINC001354791639 1067099704 /nfs/dbraw/zinc/09/97/04/1067099704.db2.gz IZWAQTPDKGHQCS-NHCUHLMSSA-N 1 2 459.059 4.413 20 0 JIADLO O=C(Nc1ccc2nc(C[NH+]3CCCCC3)[nH]c2c1)[C@H]1CCCN(C(=O)c2ccc(F)cc2)C1 ZINC001321486697 1067143656 /nfs/dbraw/zinc/14/36/56/1067143656.db2.gz RCWLEQVDQFUJNN-IBGZPJMESA-N 1 2 463.557 4.179 20 0 JIADLO Fc1cc(Br)cc(Br)c1NC(=S)NCc1c[nH+]cn1C1CCOCC1 ZINC001200805184 1067225071 /nfs/dbraw/zinc/22/50/71/1067225071.db2.gz POQONMFLOOKSEU-UHFFFAOYSA-N 1 2 492.212 4.385 20 0 JIADLO CC(=O)N[C@H](CC(=O)Nc1ccc2nc(C[NH+]3CCCCC3)[nH]c2c1)c1c(F)cccc1F ZINC001322391911 1067285253 /nfs/dbraw/zinc/28/52/53/1067285253.db2.gz AKSSFYPCIAIJTA-OAQYLSRUSA-N 1 2 455.509 4.033 20 0 JIADLO CSc1cccc(N2C[C@H](C(=O)Nc3ccc4nc(C[NH+]5CCCCC5)[nH]c4c3)CC2=O)c1 ZINC001322392579 1067286265 /nfs/dbraw/zinc/28/62/65/1067286265.db2.gz IKDVOTZPPXDGIX-QGZVFWFLSA-N 1 2 463.607 4.262 20 0 JIADLO Cc1ccccc1COc1cccc(CC(=O)Nc2ccccc2C(=O)N2CC[NH+](C)CC2)c1 ZINC001352331566 1067333863 /nfs/dbraw/zinc/33/38/63/1067333863.db2.gz CRDSZDVOJPUDEJ-UHFFFAOYSA-N 1 2 457.574 4.143 20 0 JIADLO COc1ccc(-c2nnc(N(C)CC(F)(F)F)n2Cc2ccc(N3CCCCC3)[nH+]c2)c(OC)c1 ZINC001300000499 1067336852 /nfs/dbraw/zinc/33/68/52/1067336852.db2.gz GEOAVZTWIYJFLC-UHFFFAOYSA-N 1 2 490.530 4.394 20 0 JIADLO COc1ccc(Cl)cc1C(F)(F)C(=O)NCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC001355623505 1067533109 /nfs/dbraw/zinc/53/31/09/1067533109.db2.gz ZGLQPUGLXJCDAN-UHFFFAOYSA-N 1 2 458.336 4.032 20 0 JIADLO O=C(NCC[NH+]1CCN(c2cccc(Cl)c2)CC1)c1ccc(Br)cc1Cl ZINC001355623479 1067533410 /nfs/dbraw/zinc/53/34/10/1067533410.db2.gz YZCZTVVJAYKIMG-UHFFFAOYSA-N 1 2 457.199 4.308 20 0 JIADLO COc1ccc(-c2nnc(N3CCCC3)n2CCCNc2cccc[nH+]2)cc1Br ZINC001300058122 1067549443 /nfs/dbraw/zinc/54/94/43/1067549443.db2.gz ANKNZMNNZDKRNL-UHFFFAOYSA-N 1 2 457.376 4.214 20 0 JIADLO COc1ccc(CCNC(=S)NC[C@H](c2ccc(Cl)cc2Cl)[NH+](C)C)cc1OC ZINC001200086816 1067579104 /nfs/dbraw/zinc/57/91/04/1067579104.db2.gz AQXCRNZXHRHATN-GOSISDBHSA-N 1 2 456.439 4.320 20 0 JIADLO CCOC(=O)N1CCC[C@@H](C(=O)N2CC[NH+](Cc3ccc(-c4ccccc4F)s3)CC2)C1 ZINC001355907629 1067605681 /nfs/dbraw/zinc/60/56/81/1067605681.db2.gz VRLXCAHWRQZLJP-GOSISDBHSA-N 1 2 459.587 4.067 20 0 JIADLO O=S(=O)(c1ccc(Cl)c2ccccc21)N1Cc2c[nH+]cn2C[C@H](COCc2ccccn2)C1 ZINC001200107770 1067636760 /nfs/dbraw/zinc/63/67/60/1067636760.db2.gz HEYYWFQLCDUKAN-SFHVURJKSA-N 1 2 482.993 4.122 20 0 JIADLO CC(=O)Nc1ccccc1C(F)(F)C(=O)Nc1nc2ccccc2n1CCCn1cc[nH+]c1 ZINC001352777734 1067713990 /nfs/dbraw/zinc/71/39/90/1067713990.db2.gz CSSVGNBVWYJBKM-UHFFFAOYSA-N 1 2 452.465 4.012 20 0 JIADLO Cc1cc(C(=O)Nc2ccc(-n3cc[nH+]c3)c(F)c2)cc(C)c1OCC(=O)N1CCCCC1 ZINC001356296732 1067718995 /nfs/dbraw/zinc/71/89/95/1067718995.db2.gz OAAJYFMFFDTEGT-UHFFFAOYSA-N 1 2 450.514 4.272 20 0 JIADLO CSc1ccc([C@H](CNc2nc3c(cnn3C)c(=O)[nH]2)[N@@H+]2CCc3sccc3C2)cc1 ZINC000487996044 1067805040 /nfs/dbraw/zinc/80/50/40/1067805040.db2.gz KLDQVOCXOUTDLH-SFHVURJKSA-N 1 2 452.609 4.064 20 0 JIADLO CSc1ccc([C@H](CNc2nc3c(cnn3C)c(=O)[nH]2)[N@H+]2CCc3sccc3C2)cc1 ZINC000487996044 1067805043 /nfs/dbraw/zinc/80/50/43/1067805043.db2.gz KLDQVOCXOUTDLH-SFHVURJKSA-N 1 2 452.609 4.064 20 0 JIADLO Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)[C@H]2CC(=O)N(c3ccc(Cl)c(F)c3)C2)c(C)c1 ZINC001357329714 1067835090 /nfs/dbraw/zinc/83/50/90/1067835090.db2.gz GGCSOJDCPKQSGL-JTSKRJEESA-N 1 2 454.933 4.203 20 0 JIADLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)Nc1ccc(S(=O)(=O)c2ccc(F)cc2)cc1 ZINC001357535450 1067866225 /nfs/dbraw/zinc/86/62/25/1067866225.db2.gz SUNXSBOMBBSHLJ-UHFFFAOYSA-N 1 2 459.449 4.234 20 0 JIADLO COc1cc2oc(=O)cc(C)c2cc1CCC(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1 ZINC001353105663 1067867440 /nfs/dbraw/zinc/86/74/40/1067867440.db2.gz GVJVSVVCYZASDA-SFHVURJKSA-N 1 2 450.535 4.075 20 0 JIADLO C[C@@H](c1cccc(NC(=O)N2C[C@@H](C)[C@H](CCNC(=O)OC(C)(C)C)C2)c1)[NH+]1CCOCC1 ZINC001200232431 1067876388 /nfs/dbraw/zinc/87/63/88/1067876388.db2.gz GZCLKLVBKXJCTL-SVFBPWRDSA-N 1 2 460.619 4.094 20 0 JIADLO Cn1cc[nH+]c1CCNC(=O)CSc1nnc(-c2ccc(Cl)cc2Cl)n1-c1ccccc1 ZINC001353242081 1067944802 /nfs/dbraw/zinc/94/48/02/1067944802.db2.gz ZHLRJWOPUQDZOH-UHFFFAOYSA-N 1 2 487.416 4.426 20 0 JIADLO COc1ccc(C(=O)Nc2ccc(C(=O)Nc3cccc(C[NH+]4CCOCC4)c3)s2)cc1 ZINC001357928789 1067946441 /nfs/dbraw/zinc/94/64/41/1067946441.db2.gz QSAYSGQREIJGNM-UHFFFAOYSA-N 1 2 451.548 4.094 20 0 JIADLO COc1ccc(F)cc1C[NH+]1CCN(c2nnc(CC(C)C)n2CCSC(F)(F)F)CC1 ZINC001300248253 1067982846 /nfs/dbraw/zinc/98/28/46/1067982846.db2.gz XBVNWLIYPPOHHL-UHFFFAOYSA-N 1 2 475.556 4.200 20 0 JIADLO COc1ccc(-c2nc(C(=O)N[C@@H](c3ccc(Cl)cc3)[C@@H]3C[N@H+](C)CCO3)cs2)cc1 ZINC001358071333 1068008106 /nfs/dbraw/zinc/00/81/06/1068008106.db2.gz DIUSPTMDLVHNAH-SFTDATJTSA-N 1 2 457.983 4.274 20 0 JIADLO COc1ccc(-c2nc(C(=O)N[C@@H](c3ccc(Cl)cc3)[C@@H]3C[N@@H+](C)CCO3)cs2)cc1 ZINC001358071333 1068008119 /nfs/dbraw/zinc/00/81/19/1068008119.db2.gz DIUSPTMDLVHNAH-SFTDATJTSA-N 1 2 457.983 4.274 20 0 JIADLO Cc1c(C(=O)N[C@H](c2ccc(Cl)cc2)[C@H]2C[N@H+](C)CCO2)cnn1-c1ccccc1Cl ZINC001358072683 1068010180 /nfs/dbraw/zinc/01/01/80/1068010180.db2.gz QFULJCBRCOZRPB-FGZHOGPDSA-N 1 2 459.377 4.289 20 0 JIADLO Cc1c(C(=O)N[C@H](c2ccc(Cl)cc2)[C@H]2C[N@@H+](C)CCO2)cnn1-c1ccccc1Cl ZINC001358072683 1068010197 /nfs/dbraw/zinc/01/01/97/1068010197.db2.gz QFULJCBRCOZRPB-FGZHOGPDSA-N 1 2 459.377 4.289 20 0 JIADLO O=S(=O)(c1ccc(NCCCn2cc[nH+]c2)nc1)N(Cc1ccccc1)Cc1ccccc1 ZINC000514626341 1068256699 /nfs/dbraw/zinc/25/66/99/1068256699.db2.gz PUQLCPBZUBVBAM-UHFFFAOYSA-N 1 2 461.591 4.171 20 0 JIADLO O=C(NCc1cc[nH+]c(N2CCN(c3ccc(F)cc3)CC2)c1)Nc1nnc(-c2ccsc2)s1 ZINC000503022279 1068306878 /nfs/dbraw/zinc/30/68/78/1068306878.db2.gz WMSUMFYQNWLHDR-UHFFFAOYSA-N 1 2 495.609 4.449 20 0 JIADLO Cc1nc(NCc2cccc(C(=O)N3CCN(c4ncc(Cl)cc4Cl)CC3)c2)cc[nH+]1 ZINC000622314116 1068360991 /nfs/dbraw/zinc/36/09/91/1068360991.db2.gz JAXYHDFVZUMSOW-UHFFFAOYSA-N 1 2 457.365 4.061 20 0 JIADLO COc1cccc(-c2nnc(N3CCO[C@@](C)(C(C)(C)C)C3)n2CCCNc2cccc[nH+]2)c1 ZINC001300395088 1068527762 /nfs/dbraw/zinc/52/77/62/1068527762.db2.gz JGZIUKKXMLEHPX-AREMUKBSSA-N 1 2 464.614 4.492 20 0 JIADLO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)NCCCNc2ccc(C(F)(F)F)cn2)C[C@H](C)O1 ZINC000503438266 1068630699 /nfs/dbraw/zinc/63/06/99/1068630699.db2.gz SGZDWNXWOYGPOA-CALCHBBNSA-N 1 2 465.520 4.333 20 0 JIADLO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)NCCCNc2ccc(C(F)(F)F)cn2)C[C@H](C)O1 ZINC000503438266 1068630718 /nfs/dbraw/zinc/63/07/18/1068630718.db2.gz SGZDWNXWOYGPOA-CALCHBBNSA-N 1 2 465.520 4.333 20 0 JIADLO COc1cccc(O[C@@H](C)Cn2c(CC(C)(C)C)nnc2N2CCc3c(cc[nH+]c3N(C)C)C2)c1 ZINC001300445679 1068733705 /nfs/dbraw/zinc/73/37/05/1068733705.db2.gz MCDINGXRZAKBBD-IBGZPJMESA-N 1 2 478.641 4.367 20 0 JIADLO COc1cc(NC(=S)N2CCC3(CC2)COCC[N@@H+]3Cc2c(C)noc2C)c(OC)cc1Cl ZINC001200534567 1068843415 /nfs/dbraw/zinc/84/34/15/1068843415.db2.gz FMTWXSHUUBVVOI-UHFFFAOYSA-N 1 2 495.045 4.026 20 0 JIADLO COc1cc(NC(=S)N2CCC3(CC2)COCC[N@H+]3Cc2c(C)noc2C)c(OC)cc1Cl ZINC001200534567 1068843416 /nfs/dbraw/zinc/84/34/16/1068843416.db2.gz FMTWXSHUUBVVOI-UHFFFAOYSA-N 1 2 495.045 4.026 20 0 JIADLO CCN(C(=O)CN(C(=O)OC(C)(C)C)C1CC1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC001354066256 1068874927 /nfs/dbraw/zinc/87/49/27/1068874927.db2.gz NFGKDRREFGIHKD-UHFFFAOYSA-N 1 2 459.635 4.125 20 0 JIADLO COc1ccc([C@@H]2[C@@H](C(=O)Nc3cc[nH+]c(C)c3)CCC(=O)N2c2ccc(C)cc2)cc1OC ZINC000849209044 1068966939 /nfs/dbraw/zinc/96/69/39/1068966939.db2.gz UOPVWMFAHLVNDH-BKMJKUGQSA-N 1 2 459.546 4.261 20 0 JIADLO NC(=[NH+]OCC(=O)Nc1cccc(C(=O)Nc2cccc(C(F)(F)F)c2)c1)c1ccccc1 ZINC000849212206 1068973352 /nfs/dbraw/zinc/97/33/52/1068973352.db2.gz KPDBJNWJEAEWIW-UHFFFAOYSA-N 1 2 456.424 4.443 20 0 JIADLO COc1ccccc1[C@H](NCc1ccc(OCCn2cc[nH+]c2)c(Cl)c1)c1noc(C)n1 ZINC001200591297 1068975409 /nfs/dbraw/zinc/97/54/09/1068975409.db2.gz WONJZUCAXXLKEQ-QFIPXVFZSA-N 1 2 453.930 4.195 20 0 JIADLO COc1ccccc1Cc1nnc(N2CCC(OC(C)(C)C)CC2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001300558098 1069019735 /nfs/dbraw/zinc/01/97/35/1069019735.db2.gz TUFLOEBGTKRRSH-UHFFFAOYSA-N 1 2 478.641 4.171 20 0 JIADLO CCN(CC)C(=O)CCC(=O)NC[C@H](c1ccc(SC)cc1)[N@@H+]1CCc2sccc2C1 ZINC001354347615 1069129268 /nfs/dbraw/zinc/12/92/68/1069129268.db2.gz UGLSGQGTRIDSGY-OAQYLSRUSA-N 1 2 459.681 4.334 20 0 JIADLO CCN(CC)C(=O)CCC(=O)NC[C@H](c1ccc(SC)cc1)[N@H+]1CCc2sccc2C1 ZINC001354347615 1069129275 /nfs/dbraw/zinc/12/92/75/1069129275.db2.gz UGLSGQGTRIDSGY-OAQYLSRUSA-N 1 2 459.681 4.334 20 0 JIADLO CC[N@H+](CC(=O)N1CC2(CCOCC2)[C@H]1c1cnn(CC(C)C)c1)Cc1ccccc1Cl ZINC000849544078 1069176869 /nfs/dbraw/zinc/17/68/69/1069176869.db2.gz XJWAGHKYMFCCOM-XMMPIXPASA-N 1 2 459.034 4.395 20 0 JIADLO CC[N@@H+](CC(=O)N1CC2(CCOCC2)[C@H]1c1cnn(CC(C)C)c1)Cc1ccccc1Cl ZINC000849544078 1069176881 /nfs/dbraw/zinc/17/68/81/1069176881.db2.gz XJWAGHKYMFCCOM-XMMPIXPASA-N 1 2 459.034 4.395 20 0 JIADLO c1sc([C@@H]2C[C@H]3CN(c4ncnc5c4C[N@H+](Cc4ccccc4)CC5)C[C@@H]3O2)nc1C1CC1 ZINC001164647249 719287956 /nfs/dbraw/zinc/28/79/56/719287956.db2.gz RHFWCYRWKVTIEO-IGKWTDBASA-N 1 2 459.619 4.335 20 0 JIADLO c1sc([C@@H]2C[C@H]3CN(c4ncnc5c4C[N@@H+](Cc4ccccc4)CC5)C[C@@H]3O2)nc1C1CC1 ZINC001164647249 719287957 /nfs/dbraw/zinc/28/79/57/719287957.db2.gz RHFWCYRWKVTIEO-IGKWTDBASA-N 1 2 459.619 4.335 20 0 JIADLO c1sc([C@H]2C[C@H]3CN(c4ncnc5c4C[N@H+](Cc4ccccc4)CC5)C[C@@H]3O2)nc1C1CC1 ZINC001164647243 719287961 /nfs/dbraw/zinc/28/79/61/719287961.db2.gz RHFWCYRWKVTIEO-IEXUWNMDSA-N 1 2 459.619 4.335 20 0 JIADLO c1sc([C@H]2C[C@H]3CN(c4ncnc5c4C[N@@H+](Cc4ccccc4)CC5)C[C@@H]3O2)nc1C1CC1 ZINC001164647243 719287963 /nfs/dbraw/zinc/28/79/63/719287963.db2.gz RHFWCYRWKVTIEO-IEXUWNMDSA-N 1 2 459.619 4.335 20 0 JIADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ncnc3nc(Cl)ccc31)CC2 ZINC001164664127 719346974 /nfs/dbraw/zinc/34/69/74/719346974.db2.gz RVJHGPRHLQRBGU-UHFFFAOYSA-N 1 2 459.985 4.373 20 0 JIADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ncnc3nc(Cl)ccc31)CC2 ZINC001164664127 719346976 /nfs/dbraw/zinc/34/69/76/719346976.db2.gz RVJHGPRHLQRBGU-UHFFFAOYSA-N 1 2 459.985 4.373 20 0 JIADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nnc(Cl)c3cccnc31)CC2 ZINC001164663151 719350450 /nfs/dbraw/zinc/35/04/50/719350450.db2.gz FIZQBRUWGSKXTJ-UHFFFAOYSA-N 1 2 459.985 4.373 20 0 JIADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nnc(Cl)c3cccnc31)CC2 ZINC001164663151 719350452 /nfs/dbraw/zinc/35/04/52/719350452.db2.gz FIZQBRUWGSKXTJ-UHFFFAOYSA-N 1 2 459.985 4.373 20 0 JIADLO CCOC(=O)c1cc(N2CCC3(CC2)c2ncc(-c4ccccc4)n2CC[N@H+]3CC)ncc1C ZINC001164658868 719351104 /nfs/dbraw/zinc/35/11/04/719351104.db2.gz KQLLTRTVXLPPMJ-UHFFFAOYSA-N 1 2 459.594 4.261 20 0 JIADLO CCOC(=O)c1cc(N2CCC3(CC2)c2ncc(-c4ccccc4)n2CC[N@@H+]3CC)ncc1C ZINC001164658868 719351106 /nfs/dbraw/zinc/35/11/06/719351106.db2.gz KQLLTRTVXLPPMJ-UHFFFAOYSA-N 1 2 459.594 4.261 20 0 JIADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nc3ccccc3c(OC)n1)CC2 ZINC001164658867 719351253 /nfs/dbraw/zinc/35/12/53/719351253.db2.gz KPZDTWJBTBKFCP-UHFFFAOYSA-N 1 2 454.578 4.333 20 0 JIADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nc3ccccc3c(OC)n1)CC2 ZINC001164658867 719351255 /nfs/dbraw/zinc/35/12/55/719351255.db2.gz KPZDTWJBTBKFCP-UHFFFAOYSA-N 1 2 454.578 4.333 20 0 JIADLO COCc1cc(N2CCC3(CC2)COCC[N@@H+]3Cc2ccc(F)cc2)nc(-c2ccccc2)n1 ZINC001164673087 719494152 /nfs/dbraw/zinc/49/41/52/719494152.db2.gz NDBTWOPFRZKGRW-UHFFFAOYSA-N 1 2 462.569 4.301 20 0 JIADLO COCc1cc(N2CCC3(CC2)COCC[N@H+]3Cc2ccc(F)cc2)nc(-c2ccccc2)n1 ZINC001164673087 719494165 /nfs/dbraw/zinc/49/41/65/719494165.db2.gz NDBTWOPFRZKGRW-UHFFFAOYSA-N 1 2 462.569 4.301 20 0 JIADLO CCOC(=O)c1c(C)cc(Cl)nc1N1CCC2(CC1)COCC[N@@H+]2Cc1ccc(F)cc1 ZINC001164672312 719502047 /nfs/dbraw/zinc/50/20/47/719502047.db2.gz JWKZXJXKDPZAHG-UHFFFAOYSA-N 1 2 461.965 4.231 20 0 JIADLO CCOC(=O)c1c(C)cc(Cl)nc1N1CCC2(CC1)COCC[N@H+]2Cc1ccc(F)cc1 ZINC001164672312 719502054 /nfs/dbraw/zinc/50/20/54/719502054.db2.gz JWKZXJXKDPZAHG-UHFFFAOYSA-N 1 2 461.965 4.231 20 0 JIADLO Fc1ccc(C[N@@H+]2CCOCC23CCN(c2nccnc2C2SCCCS2)CC3)cc1 ZINC001164671151 719502290 /nfs/dbraw/zinc/50/22/90/719502290.db2.gz BUCOZQNIBPRYDM-UHFFFAOYSA-N 1 2 460.644 4.356 20 0 JIADLO Fc1ccc(C[N@H+]2CCOCC23CCN(c2nccnc2C2SCCCS2)CC3)cc1 ZINC001164671151 719502300 /nfs/dbraw/zinc/50/23/00/719502300.db2.gz BUCOZQNIBPRYDM-UHFFFAOYSA-N 1 2 460.644 4.356 20 0 JIADLO Fc1ccc(C[N@@H+]2CCOCC23CCN(c2nccc(Oc4cccc(F)c4)n2)CC3)cc1 ZINC001164673334 719519174 /nfs/dbraw/zinc/51/91/74/719519174.db2.gz ORKYXLBZVQPCOJ-UHFFFAOYSA-N 1 2 452.505 4.419 20 0 JIADLO Fc1ccc(C[N@H+]2CCOCC23CCN(c2nccc(Oc4cccc(F)c4)n2)CC3)cc1 ZINC001164673334 719519178 /nfs/dbraw/zinc/51/91/78/719519178.db2.gz ORKYXLBZVQPCOJ-UHFFFAOYSA-N 1 2 452.505 4.419 20 0 JIADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ccc(-c2ccc(Oc3ccccc3)cc2)nn1 ZINC001164702966 719874973 /nfs/dbraw/zinc/87/49/73/719874973.db2.gz JKNPUUYUXPNLCB-DFHRPNOPSA-N 1 2 488.588 4.169 20 0 JIADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4nc5ccccc5c(-c5ccccc5)n4)CC3)C2=O)cs1 ZINC001164825621 720367647 /nfs/dbraw/zinc/36/76/47/720367647.db2.gz RWLIXIALQBPDQM-UHFFFAOYSA-N 1 2 498.656 4.375 20 0 JIADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4nc5ccccc5c(-c5ccccc5)n4)CC3)C2=O)cs1 ZINC001164825621 720367655 /nfs/dbraw/zinc/36/76/55/720367655.db2.gz RWLIXIALQBPDQM-UHFFFAOYSA-N 1 2 498.656 4.375 20 0 JIADLO Fc1ccc2nc(C(F)(F)N3CCC4(CC3)CN(c3cccc[nH+]3)CCO4)nc(Cl)c2c1 ZINC001164869989 721218103 /nfs/dbraw/zinc/21/81/03/721218103.db2.gz DUWKLSYWASQEGV-UHFFFAOYSA-N 1 2 463.891 4.238 20 0 JIADLO F[C@H](Oc1cccc(-c2ccc(Cl)nn2)c1)N1CCC2(CC1)CN(c1cccc[nH+]1)CCO2 ZINC001164875155 721219633 /nfs/dbraw/zinc/21/96/33/721219633.db2.gz WZTHMCSXEQDYPO-QHCPKHFHSA-N 1 2 469.948 4.195 20 0 JIADLO FC(F)(c1ccc2nc(Cl)cnc2c1)N1Cc2c[nH+]cn2C[C@H](COc2cccnc2)C1 ZINC001164767189 721273170 /nfs/dbraw/zinc/27/31/70/721273170.db2.gz HSYDFRHUYKCVCR-HNNXBMFYSA-N 1 2 456.884 4.135 20 0 JIADLO COc1cccc(-c2cc(C(F)(F)N3C[C@H]4C[NH+](Cc5nccs5)C[C@@H]4C3)c(Cl)nn2)c1 ZINC001164788203 721439214 /nfs/dbraw/zinc/43/92/14/721439214.db2.gz ZTDXXDJKJPHSJW-HZPDHXFCSA-N 1 2 477.968 4.375 20 0 JIADLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(C(F)(F)c1cccc3c(Cl)nc(Cl)nc31)C2 ZINC001165009761 721706203 /nfs/dbraw/zinc/70/62/03/721706203.db2.gz DCJBNXYDSXSATJ-UHFFFAOYSA-N 1 2 470.355 4.324 20 0 JIADLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(C(F)(F)c1cccc3c(Cl)nc(Cl)nc31)C2 ZINC001165009761 721706208 /nfs/dbraw/zinc/70/62/08/721706208.db2.gz DCJBNXYDSXSATJ-UHFFFAOYSA-N 1 2 470.355 4.324 20 0 JIADLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(c1cnc(Cl)nc1Oc1ccccc1Cl)C2 ZINC001165011013 721720688 /nfs/dbraw/zinc/72/06/88/721720688.db2.gz MDIPDAWUCCPVBT-UHFFFAOYSA-N 1 2 462.385 4.418 20 0 JIADLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(c1cnc(Cl)nc1Oc1ccccc1Cl)C2 ZINC001165011013 721720692 /nfs/dbraw/zinc/72/06/92/721720692.db2.gz MDIPDAWUCCPVBT-UHFFFAOYSA-N 1 2 462.385 4.418 20 0 JIADLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(C(F)(F)c1cc(-c3cccc(F)c3)nnc1Cl)C2 ZINC001165009919 721721990 /nfs/dbraw/zinc/72/19/90/721721990.db2.gz BRZBGVJKSALWOZ-UHFFFAOYSA-N 1 2 479.938 4.323 20 0 JIADLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(C(F)(F)c1cc(-c3cccc(F)c3)nnc1Cl)C2 ZINC001165009919 721721997 /nfs/dbraw/zinc/72/19/97/721721997.db2.gz BRZBGVJKSALWOZ-UHFFFAOYSA-N 1 2 479.938 4.323 20 0 JIADLO Cc1cnc2n1CC[N@@H+](C)C21CCN(C(F)(F)c2ccc3nc(Cl)c(Cl)nc3c2)CC1 ZINC001164917872 721816099 /nfs/dbraw/zinc/81/60/99/721816099.db2.gz PQRWFOBYUWALAL-UHFFFAOYSA-N 1 2 467.351 4.428 20 0 JIADLO Cc1cnc2n1CC[N@H+](C)C21CCN(C(F)(F)c2ccc3nc(Cl)c(Cl)nc3c2)CC1 ZINC001164917872 721816100 /nfs/dbraw/zinc/81/61/00/721816100.db2.gz PQRWFOBYUWALAL-UHFFFAOYSA-N 1 2 467.351 4.428 20 0 JIADLO c1ccc(C[N@@H+]2CCc3ncnc(N4CC[C@@]5(C4)COCc4cnc(-c6ccccc6)nc45)c3C2)cc1 ZINC001164929871 721898315 /nfs/dbraw/zinc/89/83/15/721898315.db2.gz XHDQYOHBRJNVRI-SSEXGKCCSA-N 1 2 490.611 4.170 20 0 JIADLO c1ccc(C[N@H+]2CCc3ncnc(N4CC[C@@]5(C4)COCc4cnc(-c6ccccc6)nc45)c3C2)cc1 ZINC001164929871 721898317 /nfs/dbraw/zinc/89/83/17/721898317.db2.gz XHDQYOHBRJNVRI-SSEXGKCCSA-N 1 2 490.611 4.170 20 0 JIADLO COc1cccc(-c2cc(C(F)(F)N3CC[NH+](CCc4ccccn4)CC3)c(Cl)nn2)c1 ZINC001165055681 722020616 /nfs/dbraw/zinc/02/06/16/722020616.db2.gz SMLRDNPUVVACTQ-UHFFFAOYSA-N 1 2 459.928 4.110 20 0 JIADLO CC(=O)N[C@@H]1CCCN(c2nnc(-c3cccc(Br)c3)n2CCCc2cccc(C)[nH+]2)C1 ZINC001359417427 1069543176 /nfs/dbraw/zinc/54/31/76/1069543176.db2.gz XIUITKTXZFWUDU-JOCHJYFZSA-N 1 2 497.441 4.149 20 0 JIADLO CC(C)(C)c1nnc(N2CC[NH+](Cc3cccc(Cl)c3)CC2)n1CC(=O)NC1CCCCC1 ZINC001359515119 1069801512 /nfs/dbraw/zinc/80/15/12/1069801512.db2.gz KFOUXAQROVTBRV-UHFFFAOYSA-N 1 2 473.065 4.000 20 0 JIADLO CC(C)(C)c1nnc(N2CCO[C@@](C)(C(C)(C)C)C2)n1C[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001359517512 1069804509 /nfs/dbraw/zinc/80/45/09/1069804509.db2.gz WAAUUPYDCCVRRR-WXVAWEFUSA-N 1 2 469.674 4.118 20 0 JIADLO CC(C)(C)c1nnc(N2CCO[C@@](C)(C(C)(C)C)C2)n1C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001359517512 1069804510 /nfs/dbraw/zinc/80/45/10/1069804510.db2.gz WAAUUPYDCCVRRR-WXVAWEFUSA-N 1 2 469.674 4.118 20 0 JIADLO CC(C)(C)Cc1nnc(N2CCN(C(=O)OCc3ccccc3)CC2)n1CCCNc1cccc[nH+]1 ZINC001359538151 1069833765 /nfs/dbraw/zinc/83/37/65/1069833765.db2.gz FWQDRVBCDRDECA-UHFFFAOYSA-N 1 2 491.640 4.223 20 0 JIADLO CC(C)(C)OC(=O)N[C@@H]1CCN(c2nnc(Cc3ccc(F)cc3)n2CCCNc2cccc[nH+]2)C1 ZINC001359575873 1069972020 /nfs/dbraw/zinc/97/20/20/1069972020.db2.gz BIPZKJQZHAHIQR-OAQYLSRUSA-N 1 2 495.603 4.009 20 0 JIADLO CC(C)C(=O)N[C@@H]1CCCN(c2nnc(-c3ccc(Cl)cc3)n2CCCNc2cccc[nH+]2)C1 ZINC001359620404 1070093348 /nfs/dbraw/zinc/09/33/48/1070093348.db2.gz QFUHAOIJBOWBSQ-OAQYLSRUSA-N 1 2 482.032 4.237 20 0 JIADLO CC(C)c1nnc(N(C)C[C@H](c2cccs2)[NH+]2CCOCC2)n1Cc1ccc(Cl)nc1 ZINC001359679234 1070334649 /nfs/dbraw/zinc/33/46/49/1070334649.db2.gz BJVZJFCVGDERIG-GOSISDBHSA-N 1 2 461.035 4.069 20 0 JIADLO CC(C)c1nnc(N2CCC([C@@](C)(O)C(F)(F)F)CC2)n1Cc1cccc(Cn2cc[nH+]c2)c1 ZINC001359691898 1070349582 /nfs/dbraw/zinc/34/95/82/1070349582.db2.gz BCAIBXWTBMATLC-HSZRJFAPSA-N 1 2 476.547 4.224 20 0 JIADLO COc1ccc(CN(C)c2nnc(C)n2Cc2ccc(N3CCCCCC3)[nH+]c2)cc1OC ZINC001315470954 1064309644 /nfs/dbraw/zinc/30/96/44/1064309644.db2.gz QIOLQNFEDDDNAL-UHFFFAOYSA-N 1 2 450.587 4.064 20 0 JIADLO COc1ccc(C[NH+]2CCN(c3nnc(CC(C)(C)C)n3CC[C@H]3CCCCO3)CC2)cc1F ZINC001315504537 1064415306 /nfs/dbraw/zinc/41/53/06/1064415306.db2.gz HDNKRHPXZWZNKZ-OAQYLSRUSA-N 1 2 473.637 4.296 20 0 JIADLO COc1ccc(C[NH+]2CCN(c3nnc(CC(C)(C)C)n3CC[C@@H]3CCCCO3)CC2)cc1F ZINC001315504536 1064415505 /nfs/dbraw/zinc/41/55/05/1064415505.db2.gz HDNKRHPXZWZNKZ-NRFANRHFSA-N 1 2 473.637 4.296 20 0 JIADLO COc1ccc(C[NH+]2CCN(c3nnc(C4CC4)n3C[C@H](SC)C(C)(C)C)CC2)cc1F ZINC001315504902 1064417339 /nfs/dbraw/zinc/41/73/39/1064417339.db2.gz LWSGOYJQDUJYPU-NRFANRHFSA-N 1 2 461.651 4.403 20 0 JIADLO COc1ccc(C[NH+]2CCN(c3nnc(CC(C)(C)C)n3CCC(C)(F)F)CC2)cc1F ZINC001315505335 1064418603 /nfs/dbraw/zinc/41/86/03/1064418603.db2.gz STFWWFIELUNDDT-UHFFFAOYSA-N 1 2 453.553 4.382 20 0 JIADLO COc1ccccc1-c1nnc(N2CCN(c3cc[nH+]c(C)n3)CC2)n1C[C@H](SC)C(C)(C)C ZINC001315608908 1064728177 /nfs/dbraw/zinc/72/81/77/1064728177.db2.gz YDZALVUBWXWNMG-NRFANRHFSA-N 1 2 481.670 4.156 20 0 JIADLO COc1ccccc1Cc1nnc(N(Cc2cccs2)C(C)C)n1CC[N@@H+]1CCOC[C@H]1C ZINC001315617794 1064748422 /nfs/dbraw/zinc/74/84/22/1064748422.db2.gz ILLPZBRUUGDPAB-HXUWFJFHSA-N 1 2 469.655 4.075 20 0 JIADLO COc1ccccc1Cc1nnc(N(Cc2cccs2)C(C)C)n1CC[N@H+]1CCOC[C@H]1C ZINC001315617794 1064748432 /nfs/dbraw/zinc/74/84/32/1064748432.db2.gz ILLPZBRUUGDPAB-HXUWFJFHSA-N 1 2 469.655 4.075 20 0 JIADLO COc1ccccc1Cc1nnc(N2CCc3c(cc[nH+]c3N(C)C)C2)n1C[C@](C)(O)CCC(C)C ZINC001315625535 1064767575 /nfs/dbraw/zinc/76/75/75/1064767575.db2.gz OZFDSUOZFICZIX-MUUNZHRXSA-N 1 2 492.668 4.088 20 0 JIADLO COc1cc[nH+]cc1Cn1c(-c2ccc(Br)s2)nnc1N1C[C@@H](OC)C(C)(C)C1 ZINC001315668971 1064894206 /nfs/dbraw/zinc/89/42/06/1064894206.db2.gz FJNSSBFXLMUKNF-MRXNPFEDSA-N 1 2 478.416 4.082 20 0 JIADLO COc1cc[nH+]cc1Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@@H](C(C)(C)C)C1 ZINC001315670965 1064900667 /nfs/dbraw/zinc/90/06/67/1064900667.db2.gz YYFWFZDPDVDGHG-HXUWFJFHSA-N 1 2 462.598 4.472 20 0 JIADLO COc1cc[nH+]cc1Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@@H](C(C)C)C1 ZINC001315671798 1064901073 /nfs/dbraw/zinc/90/10/73/1064901073.db2.gz KGLQBRGXDHCJNY-UXHICEINSA-N 1 2 484.645 4.327 20 0 JIADLO COc1cc[nH+]cc1Cn1c(CC(C)(C)C)nnc1N1CCC(C(=O)Nc2ccccc2)CC1 ZINC001315672374 1064903236 /nfs/dbraw/zinc/90/32/36/1064903236.db2.gz PWYFRUWAQLIWKQ-UHFFFAOYSA-N 1 2 462.598 4.174 20 0 JIADLO COc1cc[nH+]cc1Cn1c(COc2cc(C)ccc2C)nnc1N(C)CCOC(C)(C)C ZINC001315672888 1064904479 /nfs/dbraw/zinc/90/44/79/1064904479.db2.gz RJQKVDWFQIUABV-UHFFFAOYSA-N 1 2 453.587 4.177 20 0 JIADLO COc1cc[nH+]cc1Cn1c(N(C)C[C@H](C)c2ccccc2)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001315673266 1064905926 /nfs/dbraw/zinc/90/59/26/1064905926.db2.gz XBTWUQIRZGSCRY-RXFWQSSRSA-N 1 2 465.598 4.011 20 0 JIADLO COc1cc[nH+]cc1Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCS[C@H](C)[C@H]1C ZINC001315673477 1064906885 /nfs/dbraw/zinc/90/68/85/1064906885.db2.gz CVYLOFXSYLOJCR-LMMKCTJWSA-N 1 2 488.658 4.132 20 0 JIADLO COC1CCC(Cn2c(C(C)C)nnc2N(C)C[C@H](c2cccs2)[NH+]2CCOCC2)CC1 ZINC001315679573 1064920427 /nfs/dbraw/zinc/92/04/27/1064920427.db2.gz MQYWAKQCUQCLRH-XVAXZDLZSA-N 1 2 461.676 4.178 20 0 JIADLO CO[C@@H]1CN(c2nnc([C@H](C)Oc3ccccc3F)n2CCCNc2cccc[nH+]2)CC1(C)C ZINC001315711642 1064990241 /nfs/dbraw/zinc/99/02/41/1064990241.db2.gz CWNCGWXUMXBDMS-GHTZIAJQSA-N 1 2 468.577 4.316 20 0 JIADLO COCC(C)(C)Cn1c(-c2ccccc2Cl)nnc1N1CC[NH+](Cc2cnc(C)s2)CC1 ZINC001315765421 1065082960 /nfs/dbraw/zinc/08/29/60/1065082960.db2.gz OIUOJSVROUFBDZ-UHFFFAOYSA-N 1 2 475.062 4.358 20 0 JIADLO COCC1(C)CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2CC[N@@H+]2CCOC[C@H]2C)CC1 ZINC001315828274 1065186298 /nfs/dbraw/zinc/18/62/98/1065186298.db2.gz LBFMXPKGRGORGH-GGAORHGYSA-N 1 2 485.673 4.009 20 0 JIADLO COCC1(C)CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2CC[N@H+]2CCOC[C@H]2C)CC1 ZINC001315828274 1065186313 /nfs/dbraw/zinc/18/63/13/1065186313.db2.gz LBFMXPKGRGORGH-GGAORHGYSA-N 1 2 485.673 4.009 20 0 JIADLO COCC1(C)CCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2CC[N@@H+]2CCOC[C@@H]2C)CC1 ZINC001315828278 1065186506 /nfs/dbraw/zinc/18/65/06/1065186506.db2.gz LBFMXPKGRGORGH-JTHBVZDNSA-N 1 2 485.673 4.009 20 0 JIADLO COCC1(C)CCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2CC[N@H+]2CCOC[C@@H]2C)CC1 ZINC001315828278 1065186515 /nfs/dbraw/zinc/18/65/15/1065186515.db2.gz LBFMXPKGRGORGH-JTHBVZDNSA-N 1 2 485.673 4.009 20 0 JIADLO COCc1nc(Cn2c(CC(C)(C)C)nnc2N2CC[NH+](Cc3cccc(Cl)c3)CC2)cs1 ZINC001315873839 1065300979 /nfs/dbraw/zinc/30/09/79/1065300979.db2.gz VPZHRZBBCLWQJU-UHFFFAOYSA-N 1 2 489.089 4.494 20 0 JIADLO COCCC(C)(C)Cn1c(-c2cc3c(s2)CCCCC3)nnc1N(C)CC[NH+]1CCOCC1 ZINC001315957571 1065506230 /nfs/dbraw/zinc/50/62/30/1065506230.db2.gz RIYZKAFTZVGTGG-UHFFFAOYSA-N 1 2 475.703 4.107 20 0 JIADLO COCCN(C)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@H]1CCCn2cc(C)[nH+]c21 ZINC001316059007 1065697301 /nfs/dbraw/zinc/69/73/01/1065697301.db2.gz WUJNYRLIJNURNB-GOSISDBHSA-N 1 2 473.419 4.181 20 0 JIADLO COCCN(c1nnc(C(C)(C)C)n1C[C@H](c1ccccc1)[NH+]1CCOCC1)[C@@H]1CC[C@H](C)C1 ZINC001316083040 1065731076 /nfs/dbraw/zinc/73/10/76/1065731076.db2.gz RIYDSVVHTWGBQC-QPTUXGOLSA-N 1 2 469.674 4.291 20 0 JIADLO COCCO[C@H](C)c1nnc(N2C[C@H](C)CC[C@@H]2C)n1Cc1cc[nH+]c(N2CCCCC2)c1 ZINC001316158447 1065823871 /nfs/dbraw/zinc/82/38/71/1065823871.db2.gz CVKUGLUYRHYAJN-QHAWAJNXSA-N 1 2 456.635 4.061 20 0 JIADLO COCCO[C@@H]1CCCN(c2nnc(-c3ccc(C)o3)n2C[C@@H](c2c(F)cccc2F)[NH+](C)C)C1 ZINC001316239302 1065975932 /nfs/dbraw/zinc/97/59/32/1065975932.db2.gz ZZCIOCVBRZDVJB-NQIIRXRSSA-N 1 2 489.567 4.059 20 0 JIADLO COCCOC[C@H]1CCN(c2nnc(CC(C)(C)C)n2Cc2ccc(N3CCC(C)CC3)[nH+]c2)C1 ZINC001316259012 1066006378 /nfs/dbraw/zinc/00/63/78/1066006378.db2.gz LCWLKVRKTIBTKB-QHCPKHFHSA-N 1 2 484.689 4.036 20 0 JIADLO COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[C@H](C(F)F)C2)n1C[C@H](c1c(F)cccc1F)[NH+](C)C ZINC001316290888 1066050587 /nfs/dbraw/zinc/05/05/87/1066050587.db2.gz PRJLTQHFLZGDMO-DGCVBNHASA-N 1 2 499.553 4.065 20 0 JIADLO CS[C@@H](C)Cn1c(-c2ccc(C)o2)nnc1N(C)C[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC001316376624 1066139741 /nfs/dbraw/zinc/13/97/41/1066139741.db2.gz SBIKRHJRYWJBOK-ROUUACIJSA-N 1 2 461.657 4.169 20 0 JIADLO CSCC[C@H](C)N(C)c1nnc(Cc2ccccn2)n1Cc1cc[nH+]c(N2CCCCC2)c1 ZINC001316452695 1066336200 /nfs/dbraw/zinc/33/62/00/1066336200.db2.gz XYEYNKRZOMXHJM-FQEVSTJZSA-N 1 2 465.671 4.275 20 0 JIADLO CSCCCCCn1c(-c2ccc[nH]2)nnc1N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC001316455598 1066344079 /nfs/dbraw/zinc/34/40/79/1066344079.db2.gz ZUHIOQYTNUAAHC-UHFFFAOYSA-N 1 2 468.675 4.355 20 0 JIADLO CC[NH+](CC)Cc1csc(NC(=O)[C@@H](NS(=O)(=O)c2ccc3ccccc3c2)C(C)C)n1 ZINC001331719888 1066361848 /nfs/dbraw/zinc/36/18/48/1066361848.db2.gz CVRBCOTUPPGNKZ-NRFANRHFSA-N 1 2 474.652 4.080 20 0 JIADLO CSCCCn1c(CC(C)(C)C)nnc1N1CC[NH+](CCOc2ccccc2Cl)CC1 ZINC001316475866 1066386771 /nfs/dbraw/zinc/38/67/71/1066386771.db2.gz HMLAYIJOZQAZSP-UHFFFAOYSA-N 1 2 466.095 4.474 20 0 JIADLO Cc1cccc(CCCn2c(-c3cnn(C)c3)nnc2N(C)CCOc2ccc(Cl)cc2)[nH+]1 ZINC001492525760 1066407052 /nfs/dbraw/zinc/40/70/52/1066407052.db2.gz GSBVRYBELWWCLK-UHFFFAOYSA-N 1 2 465.989 4.183 20 0 JIADLO COc1ccc(-c2nn(C[N@@H+]3CCCN4c5ccccc5C[C@@H]4C3)c(=S)n2C[C@@H]2CCCO2)cc1 ZINC001335299045 1066407901 /nfs/dbraw/zinc/40/79/01/1066407901.db2.gz GRACSKQHKATBPR-VWNXMTODSA-N 1 2 491.661 4.363 20 0 JIADLO COc1ccc(-c2nn(C[N@H+]3CCCN4c5ccccc5C[C@@H]4C3)c(=S)n2C[C@@H]2CCCO2)cc1 ZINC001335299045 1066407909 /nfs/dbraw/zinc/40/79/09/1066407909.db2.gz GRACSKQHKATBPR-VWNXMTODSA-N 1 2 491.661 4.363 20 0 JIADLO Cc1cccc(CCCn2c([C@@H]3CCCOC3)nnc2N2CC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)[nH+]1 ZINC001492526178 1066413530 /nfs/dbraw/zinc/41/35/30/1066413530.db2.gz PGWXIGHMLGQSNU-YPAWHYETSA-N 1 2 498.672 4.248 20 0 JIADLO Cc1cccc(CCCn2c([C@@H]3COCCN3C(=O)OC(C)(C)C)nnc2N(C)CC(C)(C)C)[nH+]1 ZINC001492526876 1066417334 /nfs/dbraw/zinc/41/73/34/1066417334.db2.gz OGZNTNNRDMPBEW-NRFANRHFSA-N 1 2 486.661 4.405 20 0 JIADLO Cc1cccc(CCCn2c(CC(C)C)nnc2N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)[nH+]1 ZINC001492526813 1066417543 /nfs/dbraw/zinc/41/75/43/1066417543.db2.gz MNQOMVNAXFNBQB-HXUWFJFHSA-N 1 2 456.635 4.258 20 0 JIADLO O=C(NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1)c1ccc(NC(=O)c2ccc(=O)[nH]c2)cc1 ZINC001337603952 1066499077 /nfs/dbraw/zinc/49/90/77/1066499077.db2.gz JFAYABTVUABKSJ-OAQYLSRUSA-N 1 2 482.943 4.399 20 0 JIADLO C[C@H](C(=O)Nc1cccc(S(=O)(=O)Nc2ccc(SC(F)F)cc2)c1)n1cc[nH+]c1 ZINC001344070317 1066624167 /nfs/dbraw/zinc/62/41/67/1066624167.db2.gz QFJHMDKMXLPBMC-CYBMUJFWSA-N 1 2 452.508 4.198 20 0 JIADLO Cc1cccc([C@@H](Cn2c(C(C)C)nnc2N2CCC[C@H](OCC(F)(F)F)C2)[NH+]2CCOCC2)c1 ZINC001492479970 1066625779 /nfs/dbraw/zinc/62/57/79/1066625779.db2.gz IWSMBYQVLINVRE-FCHUYYIVSA-N 1 2 495.590 4.331 20 0 JIADLO Cc1ccc(C)c(S(=O)(=O)NCCC(=O)O[C@@H](Cn2cc[nH+]c2)c2ccc(Cl)cc2Cl)c1 ZINC001344834277 1066637345 /nfs/dbraw/zinc/63/73/45/1066637345.db2.gz HYWFKXPFKQXBKM-FQEVSTJZSA-N 1 2 496.416 4.460 20 0 JIADLO O=C(O[C@@H](Cn1cc[nH+]c1)c1ccc(Cl)cc1Cl)[C@H]1CCCN(C(=O)N2CCCC2)C1 ZINC001348693936 1066771184 /nfs/dbraw/zinc/77/11/84/1066771184.db2.gz YOWIAWVTGVAQGN-JXFKEZNVSA-N 1 2 465.381 4.402 20 0 JIADLO Cc1cc(C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)nn1-c1ccc(Cl)cc1Cl ZINC001349102017 1066808628 /nfs/dbraw/zinc/80/86/28/1066808628.db2.gz MFCHTPBYXYAJPB-IBGZPJMESA-N 1 2 459.377 4.118 20 0 JIADLO Cc1cc(C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)nn1-c1ccc(Cl)cc1Cl ZINC001349102017 1066808629 /nfs/dbraw/zinc/80/86/29/1066808629.db2.gz MFCHTPBYXYAJPB-IBGZPJMESA-N 1 2 459.377 4.118 20 0 JIADLO C[C@@H](C(=O)N(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)Cc1ccco1)n1cc[nH+]c1 ZINC001317997803 1066840679 /nfs/dbraw/zinc/84/06/79/1066840679.db2.gz GEHFBYXBWLGZAV-ZDUSSCGKSA-N 1 2 454.836 4.377 20 0 JIADLO CCOc1ccc(NS(=O)(=O)c2ccc(NC(=O)[C@@H](C)n3cc[nH+]c3)cc2)cc1Br ZINC001317998144 1066841357 /nfs/dbraw/zinc/84/13/57/1066841357.db2.gz KIRAPDBIVUMXBR-CQSZACIVSA-N 1 2 493.383 4.045 20 0 JIADLO CCOc1ccc(NS(=O)(=O)c2cccc(NC(=O)[C@H](C)n3cc[nH+]c3)c2)cc1Br ZINC001318007359 1066848447 /nfs/dbraw/zinc/84/84/47/1066848447.db2.gz GQAKMEZXFCWEEH-AWEZNQCLSA-N 1 2 493.383 4.045 20 0 JIADLO COc1cccc(N2CCC(NC(=O)N3CC[NH+](Cc4ccc(OC(F)(F)F)cc4)CC3)CC2)c1 ZINC001318032544 1066861216 /nfs/dbraw/zinc/86/12/16/1066861216.db2.gz NNUFFFBGBXLJCL-UHFFFAOYSA-N 1 2 492.542 4.090 20 0 JIADLO O=C(CC1CC[NH+](CC(=O)N(CC(F)(F)F)c2ccc(Cl)cc2)CC1)NC1CCCC1 ZINC001318060894 1066877810 /nfs/dbraw/zinc/87/78/10/1066877810.db2.gz QRDOXUPKLOVXLP-UHFFFAOYSA-N 1 2 459.940 4.396 20 0 JIADLO Cc1cn(CC(=O)NCc2cc[nH+]c(N3CCN(c4ccc(F)cc4)CC3)c2)c2ccccc12 ZINC001318083095 1066890722 /nfs/dbraw/zinc/89/07/22/1066890722.db2.gz MSPRVBLUSQSCRE-UHFFFAOYSA-N 1 2 457.553 4.127 20 0 JIADLO COc1cc(OC)c(OC)c2[nH]c(C(=O)Nc3ccc4nc(C[NH+]5CCCCC5)[nH]c4c3)cc21 ZINC001318215067 1066963747 /nfs/dbraw/zinc/96/37/47/1066963747.db2.gz WIDVBGSXGJGWEU-UHFFFAOYSA-N 1 2 463.538 4.308 20 0 JIADLO CC[C@H](C)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)Nc1ccc2nc(C[NH+]3CCCCC3)[nH]c2c1 ZINC001318229502 1066972789 /nfs/dbraw/zinc/97/27/89/1066972789.db2.gz FNIKASIAWKVCHK-UQBPGWFLSA-N 1 2 473.621 4.487 20 0 JIADLO CC(C)Cn1nc(C(=O)Nc2ccc3nc(C[NH+]4CCCCC4)[nH]c3c2)c2ccccc2c1=O ZINC001318229244 1066972844 /nfs/dbraw/zinc/97/28/44/1066972844.db2.gz CIPZTCLTUYEJTP-UHFFFAOYSA-N 1 2 458.566 4.167 20 0 JIADLO O=C(Nc1ccc(CN2CCCC2=O)cc1)[C@@H](c1cccc(Br)c1)[NH+]1CCCC1 ZINC001350604170 1066978204 /nfs/dbraw/zinc/97/82/04/1066978204.db2.gz KLIMKPDKKBGNKX-JOCHJYFZSA-N 1 2 456.384 4.347 20 0 JIADLO C[C@@H](NC(=O)c1ccc(Br)s1)C(=O)Nc1ccc2nc(C[NH+]3CCCCC3)[nH]c2c1 ZINC001318238115 1066978124 /nfs/dbraw/zinc/97/81/24/1066978124.db2.gz PREYIWUQLKNEIE-CYBMUJFWSA-N 1 2 490.427 4.130 20 0 JIADLO O=C(CN1C(=S)N=NC1c1ccc(Cl)cc1)Nc1ccc2nc(C[NH+]3CCCCC3)[nH]c2c1 ZINC001318270785 1066994605 /nfs/dbraw/zinc/99/46/05/1066994605.db2.gz SDSRJGOJHRUTAT-UHFFFAOYSA-N 1 2 482.013 4.388 20 0 JIADLO COc1cc[nH+]cc1Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N(C)Cc1c(C)noc1C ZINC001300687281 1067029970 /nfs/dbraw/zinc/02/99/70/1067029970.db2.gz MPRUWZFBEWZAAX-KRWDZBQOSA-N 1 2 466.517 4.250 20 0 JIADLO COc1cc[nH+]cc1Cn1c(-c2ccc(Br)cc2)nnc1N1CCO[C@H](C(C)C)C1 ZINC001300692947 1067043057 /nfs/dbraw/zinc/04/30/57/1067043057.db2.gz DFUYYCIOPSYGGW-FQEVSTJZSA-N 1 2 472.387 4.021 20 0 JIADLO COc1cc[nH+]cc1Cn1c(-c2cccc(Br)c2)nnc1N1C[C@H](OC)C(C)(C)C1 ZINC001300694121 1067047321 /nfs/dbraw/zinc/04/73/21/1067047321.db2.gz NPWKJYFSZKHMSD-IBGZPJMESA-N 1 2 472.387 4.021 20 0 JIADLO COc1cc[nH+]cc1Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCC[C@H]1C(C)C ZINC001300694385 1067048478 /nfs/dbraw/zinc/04/84/78/1067048478.db2.gz RIQAPIIOSJWPQX-IBGZPJMESA-N 1 2 467.570 4.048 20 0 JIADLO COc1cc[nH+]cc1Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCO[C@H](C(C)(C)C)C1 ZINC001300697064 1067054963 /nfs/dbraw/zinc/05/49/63/1067054963.db2.gz MNKFSZLNCACUAR-NRFANRHFSA-N 1 2 455.990 4.226 20 0 JIADLO COc1cc[nH+]cc1Cn1c([C@H]2CCCOC2)nnc1N(C)Cc1ccccc1C(F)(F)F ZINC001300698407 1067057693 /nfs/dbraw/zinc/05/76/93/1067057693.db2.gz ZQIZHZUZCRWNFN-KRWDZBQOSA-N 1 2 461.488 4.279 20 0 JIADLO COc1cc[nH+]cc1Cn1c(COc2ccc(F)cc2)nnc1N(C)Cc1cc(Cl)ccn1 ZINC001300701711 1067062617 /nfs/dbraw/zinc/06/26/17/1067062617.db2.gz DWHJOFPTFQDSSZ-UHFFFAOYSA-N 1 2 468.920 4.133 20 0 JIADLO COc1cc[nH+]cc1Cn1c(COc2ccccc2OC)nnc1N1CCCC[C@@H](SC)C1 ZINC001300703029 1067068065 /nfs/dbraw/zinc/06/80/65/1067068065.db2.gz ZFEIVNGJKNSIPF-LJQANCHMSA-N 1 2 469.611 4.040 20 0 JIADLO O=C(Nc1ccc2nc(C[NH+]3CCCCC3)[nH]c2c1)[C@@H]1CCCN(C(=O)c2ccc(F)cc2)C1 ZINC001321486698 1067144328 /nfs/dbraw/zinc/14/43/28/1067144328.db2.gz RCWLEQVDQFUJNN-LJQANCHMSA-N 1 2 463.557 4.179 20 0 JIADLO COC1CCC(Cn2c(N(C)C[C@H](c3cccs3)[NH+]3CCOCC3)nnc2C(C)(C)C)CC1 ZINC001300734811 1067188723 /nfs/dbraw/zinc/18/87/23/1067188723.db2.gz FIHTXTGCUANYLO-XVAXZDLZSA-N 1 2 475.703 4.352 20 0 JIADLO FCCn1c[nH+]cc1CNC(=S)Nc1c(F)cc(Br)cc1Br ZINC001200805664 1067227727 /nfs/dbraw/zinc/22/77/27/1067227727.db2.gz VKGIXILTBNGMFB-UHFFFAOYSA-N 1 2 454.138 4.003 20 0 JIADLO C[C@@H](C(=O)Nc1cc(NC(=O)c2ccccc2I)ccc1F)n1cc[nH+]c1 ZINC001322132737 1067256012 /nfs/dbraw/zinc/25/60/12/1067256012.db2.gz HBPMYZHPPYHWLX-LBPRGKRZSA-N 1 2 478.265 4.079 20 0 JIADLO COc1ccccc1-c1nc(CSCCC(=O)N2CCN(c3cccc[nH+]3)CC2)cs1 ZINC001322696696 1067307638 /nfs/dbraw/zinc/30/76/38/1067307638.db2.gz GSGZZWVVZHXJGT-UHFFFAOYSA-N 1 2 454.621 4.186 20 0 JIADLO O=C(NC1CCCCC1)c1cc(NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)ccc1Cl ZINC001355280392 1067402793 /nfs/dbraw/zinc/40/27/93/1067402793.db2.gz HTYIKARNKKQVPY-QHCPKHFHSA-N 1 2 455.986 4.242 20 0 JIADLO O=C(NC1CCCCC1)c1cc(NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)ccc1Cl ZINC001355280392 1067402808 /nfs/dbraw/zinc/40/28/08/1067402808.db2.gz HTYIKARNKKQVPY-QHCPKHFHSA-N 1 2 455.986 4.242 20 0 JIADLO COc1ccc(CCNC(=S)NC2CC[NH+](Cc3c(F)cccc3Cl)CC2)cc1OC ZINC001200087702 1067582043 /nfs/dbraw/zinc/58/20/43/1067582043.db2.gz BNDSQDOWIWDLDK-UHFFFAOYSA-N 1 2 466.022 4.168 20 0 JIADLO COc1ccc(CCNC(=S)NC2CC[NH+](Cc3cc(Cl)ccc3F)CC2)cc1OC ZINC001200091256 1067590976 /nfs/dbraw/zinc/59/09/76/1067590976.db2.gz JSVQCENGFMTKKN-UHFFFAOYSA-N 1 2 466.022 4.168 20 0 JIADLO Cc1ccc(-n2nc(Br)cc2C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)cc1 ZINC001356043923 1067643064 /nfs/dbraw/zinc/64/30/64/1067643064.db2.gz KCLJLIYAMVYKFP-UHFFFAOYSA-N 1 2 454.303 4.198 20 0 JIADLO CCN1CCn2c(C)c[nH+]c2C12CCN(S(=O)(=O)c1ccc(Cl)c3ccccc31)CC2 ZINC001200109736 1067645891 /nfs/dbraw/zinc/64/58/91/1067645891.db2.gz QUZOWUBLDGIICQ-UHFFFAOYSA-N 1 2 459.015 4.014 20 0 JIADLO COc1ccc(C[C@@H](C)CN(C)c2nnc(C)n2C[C@@H](c2cccs2)[NH+]2CCOCC2)cc1 ZINC001300100077 1067674290 /nfs/dbraw/zinc/67/42/90/1067674290.db2.gz RVRMVWLVYIWEMJ-XXBNENTESA-N 1 2 469.655 4.045 20 0 JIADLO C[C@@H]1Cn2nc(C(=O)Nc3ccc(-n4cc[nH+]c4)c(Cl)c3)cc2CN1C(=O)OC(C)(C)C ZINC001356317733 1067722507 /nfs/dbraw/zinc/72/25/07/1067722507.db2.gz VKKNAPFZWDOCDF-CQSZACIVSA-N 1 2 456.934 4.114 20 0 JIADLO Cc1ccc(Nc2nnc(SCCC(=O)N3CCN(c4cccc[nH+]4)CC3)s2)cc1Cl ZINC000501648593 1067747576 /nfs/dbraw/zinc/74/75/76/1067747576.db2.gz YGMXKSXSOQFYOE-UHFFFAOYSA-N 1 2 475.043 4.470 20 0 JIADLO COc1ccc(CCc2nnc(N3CCS[C@@H](C)C3)n2CCCc2cccc(C)[nH+]2)cc1 ZINC001300127926 1067760386 /nfs/dbraw/zinc/76/03/86/1067760386.db2.gz DIHMSQGGKJKMTR-FQEVSTJZSA-N 1 2 451.640 4.350 20 0 JIADLO COc1cccc(Oc2ncccc2CNC(=O)Nc2ccccc2OCCn2cc[nH+]c2)c1 ZINC001200173912 1067808436 /nfs/dbraw/zinc/80/84/36/1067808436.db2.gz IZZSZOQESCVVIO-UHFFFAOYSA-N 1 2 459.506 4.480 20 0 JIADLO COCCOCC[NH+]1CCN(C(=O)c2cc(Cl)ccc2Oc2cccc(Cl)c2)CC1 ZINC001300160407 1067816111 /nfs/dbraw/zinc/81/61/11/1067816111.db2.gz ZIMPPRHMZDDIFM-UHFFFAOYSA-N 1 2 453.366 4.207 20 0 JIADLO COc1cccc(OCC[NH+]2CCN(C(=O)c3cncc(-c4ccc(Cl)cc4)c3)CC2)c1 ZINC001357269276 1067828681 /nfs/dbraw/zinc/82/86/81/1067828681.db2.gz SPHHAQSBWJPEOH-UHFFFAOYSA-N 1 2 451.954 4.247 20 0 JIADLO CC(C)N1C(=O)C[C@@H](C(=O)NCc2cc[nH+]c(N3CCCC3)c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC001357611471 1067877386 /nfs/dbraw/zinc/87/73/86/1067877386.db2.gz MAFUIRIYKZBSAN-WZONZLPQSA-N 1 2 458.965 4.089 20 0 JIADLO O=C(Nc1cccc(CN2CCCC2=O)c1)[C@@H](c1cccc(Br)c1)[NH+]1CCCC1 ZINC001353137694 1067877427 /nfs/dbraw/zinc/87/74/27/1067877427.db2.gz OBSPDRDEWODVNU-JOCHJYFZSA-N 1 2 456.384 4.347 20 0 JIADLO COc1ccc(Cn2c(CC(C)C)nnc2N2CCN(c3cccc[nH+]3)CC2)c(C(F)(F)F)c1 ZINC001300216486 1067886883 /nfs/dbraw/zinc/88/68/83/1067886883.db2.gz VVYJZWCSTYWFFN-UHFFFAOYSA-N 1 2 474.531 4.274 20 0 JIADLO CCCOc1ccc(C(C)(C)C)cc1S(=O)(=O)N1CCC2(CC1)CN(c1cccc[nH+]1)CCO2 ZINC001200266627 1067901376 /nfs/dbraw/zinc/90/13/76/1067901376.db2.gz ISHWKHMLYNHCEL-UHFFFAOYSA-N 1 2 487.666 4.228 20 0 JIADLO COc1ccc(C[NH+]2CCN(c3nnc(C)n3C[C@@H]3CCCC[C@@H]3C(F)(F)F)CC2)cc1F ZINC001300231168 1067912173 /nfs/dbraw/zinc/91/21/73/1067912173.db2.gz SXQUMLLVYYRVIU-OALUTQOASA-N 1 2 469.527 4.425 20 0 JIADLO COc1ccc(C[NH+]2CCN(c3nnc([C@H]4CCCO4)n3CC(C)(C)C(C)C)CC2)cc1F ZINC001300231876 1067917208 /nfs/dbraw/zinc/91/72/08/1067917208.db2.gz DFMWWOYBTYQBQX-JOCHJYFZSA-N 1 2 459.610 4.282 20 0 JIADLO O=C(NCCc1cnn(-c2ccccc2)c1)[C@H](c1cccc(Br)c1)[NH+]1CCCC1 ZINC001353258211 1067959800 /nfs/dbraw/zinc/95/98/00/1067959800.db2.gz YEPLYEPBAQAJDQ-QFIPXVFZSA-N 1 2 453.384 4.131 20 0 JIADLO COc1ccc(F)cc1C[NH+]1CCN(c2nnc(C(C)(C)C)n2CCCOC2CCCC2)CC1 ZINC001300244953 1067964514 /nfs/dbraw/zinc/96/45/14/1067964514.db2.gz CUVSUIBHVVFGFA-UHFFFAOYSA-N 1 2 473.637 4.395 20 0 JIADLO COc1ccc(F)cc1C[NH+]1CCN(c2nnc(-c3cccc(C)n3)n2CCSC(C)C)CC1 ZINC001300245065 1067965041 /nfs/dbraw/zinc/96/50/41/1067965041.db2.gz DMWGHAIXXKOFOE-UHFFFAOYSA-N 1 2 484.645 4.260 20 0 JIADLO O=C(CCOc1ccccc1I)Nc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC001358066950 1068006951 /nfs/dbraw/zinc/00/69/51/1068006951.db2.gz KRKBNLVBTBCYQE-UHFFFAOYSA-N 1 2 451.239 4.024 20 0 JIADLO CCCc1noc2nc(CC)cc(C(=O)N[C@@H](c3ccc(Cl)cc3)[C@H]3C[N@H+](C)CCO3)c12 ZINC001358071294 1068007329 /nfs/dbraw/zinc/00/73/29/1068007329.db2.gz CIZQPENAMDHMJV-IRLDBZIGSA-N 1 2 456.974 4.193 20 0 JIADLO CCCc1noc2nc(CC)cc(C(=O)N[C@@H](c3ccc(Cl)cc3)[C@H]3C[N@@H+](C)CCO3)c12 ZINC001358071294 1068007341 /nfs/dbraw/zinc/00/73/41/1068007341.db2.gz CIZQPENAMDHMJV-IRLDBZIGSA-N 1 2 456.974 4.193 20 0 JIADLO CCCc1noc2nc(CC)cc(C(=O)N[C@@H](c3ccc(Cl)cc3)[C@@H]3C[N@H+](C)CCO3)c12 ZINC001358071296 1068007789 /nfs/dbraw/zinc/00/77/89/1068007789.db2.gz CIZQPENAMDHMJV-UNMCSNQZSA-N 1 2 456.974 4.193 20 0 JIADLO CCCc1noc2nc(CC)cc(C(=O)N[C@@H](c3ccc(Cl)cc3)[C@@H]3C[N@@H+](C)CCO3)c12 ZINC001358071296 1068007813 /nfs/dbraw/zinc/00/78/13/1068007813.db2.gz CIZQPENAMDHMJV-UNMCSNQZSA-N 1 2 456.974 4.193 20 0 JIADLO C[C@@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)c1cncc(-c2ccc(N(C)C)cc2)c1 ZINC001358073547 1068011162 /nfs/dbraw/zinc/01/11/62/1068011162.db2.gz YWBUSZAMPBVWLT-QFIPXVFZSA-N 1 2 458.606 4.178 20 0 JIADLO Cc1ccccc1-c1nnc(N2CCC(C(=O)C(F)(F)F)CC2)n1CCCNc1cccc[nH+]1 ZINC001492563013 1068034770 /nfs/dbraw/zinc/03/47/70/1068034770.db2.gz ZZESBDLXFFJCIF-UHFFFAOYSA-N 1 2 472.515 4.499 20 0 JIADLO COc1ccc(Br)cc1-c1ncc(C(=O)N[C@H]2C[N@H+](C)Cc3ccccc32)s1 ZINC001358383850 1068079471 /nfs/dbraw/zinc/07/94/71/1068079471.db2.gz NKADYWHTNQBOMH-KRWDZBQOSA-N 1 2 458.381 4.498 20 0 JIADLO COc1ccc(Br)cc1-c1ncc(C(=O)N[C@H]2C[N@@H+](C)Cc3ccccc32)s1 ZINC001358383850 1068079488 /nfs/dbraw/zinc/07/94/88/1068079488.db2.gz NKADYWHTNQBOMH-KRWDZBQOSA-N 1 2 458.381 4.498 20 0 JIADLO COc1ccc(-c2cncc(C(=O)N(Cc3ccccc3)[C@@H](C)C[NH+]3CCOCC3)c2)c(C)c1 ZINC001358433089 1068089724 /nfs/dbraw/zinc/08/97/24/1068089724.db2.gz HXTCXLGNXKRIIT-QFIPXVFZSA-N 1 2 459.590 4.429 20 0 JIADLO C[C@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)CN(Cc1ccccc1)c1ccccc1 ZINC001358434760 1068090593 /nfs/dbraw/zinc/09/05/93/1068090593.db2.gz VFGMTKXXZYSIKD-RUZDIDTESA-N 1 2 457.618 4.443 20 0 JIADLO Cc1ccccc1Nc1nc2sc(C(=O)N3CCN(c4[nH+]cnc5c4cnn5C)CC3)cc2s1 ZINC000513017836 1068243655 /nfs/dbraw/zinc/24/36/55/1068243655.db2.gz UACKDAZLOSEGMM-UHFFFAOYSA-N 1 2 490.618 4.049 20 0 JIADLO CCOC(=O)c1sc2nc(C[NH+](C)C)nc(NCCNc3ccc4ccccc4n3)c2c1C ZINC000519169578 1068314656 /nfs/dbraw/zinc/31/46/56/1068314656.db2.gz PTQXIZYBOZBYBH-UHFFFAOYSA-N 1 2 464.595 4.310 20 0 JIADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)c1cn(Cc2ccccc2)nc1-c1ccc(Cl)cc1 ZINC000521312811 1068331710 /nfs/dbraw/zinc/33/17/10/1068331710.db2.gz GKMIKIKAEYSPKY-UHFFFAOYSA-N 1 2 490.995 4.033 20 0 JIADLO COc1ccccc1-c1nnc(N(CC(C)C)C(C)C)n1Cc1ccc(N2CCO[C@H](C)C2)[nH+]c1 ZINC001300473710 1068818892 /nfs/dbraw/zinc/81/88/92/1068818892.db2.gz JXFYVAIOSZVHLE-OAQYLSRUSA-N 1 2 478.641 4.493 20 0 JIADLO Cc1cccc(C[N@@H+]2CCO[C@H](CNC(=O)Nc3ccc(F)cc3OCC(F)(F)F)C2)c1 ZINC001200570189 1068914942 /nfs/dbraw/zinc/91/49/42/1068914942.db2.gz JWMPYXKCELEOKJ-GOSISDBHSA-N 1 2 455.452 4.098 20 0 JIADLO Cc1cccc(C[N@H+]2CCO[C@H](CNC(=O)Nc3ccc(F)cc3OCC(F)(F)F)C2)c1 ZINC001200570189 1068914952 /nfs/dbraw/zinc/91/49/52/1068914952.db2.gz JWMPYXKCELEOKJ-GOSISDBHSA-N 1 2 455.452 4.098 20 0 JIADLO COc1ccc([C@@H]2[C@H](C(=O)Nc3cc[nH+]c(C)c3)CCC(=O)N2c2ccc(C)cc2)cc1OC ZINC000849209043 1068966331 /nfs/dbraw/zinc/96/63/31/1068966331.db2.gz UOPVWMFAHLVNDH-ATIYNZHBSA-N 1 2 459.546 4.261 20 0 JIADLO COc1ccccc1Cc1nnc(N2CCC(Cl)=C(Cl)C2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001300558006 1069019375 /nfs/dbraw/zinc/01/93/75/1069019375.db2.gz ZHSRSBYQUOSCBE-UHFFFAOYSA-N 1 2 473.408 4.286 20 0 JIADLO Fc1cc(F)cc(NC(=S)N2CCO[C@@H](c3[nH+]cn4c3cccc4Br)C2)c1 ZINC001200663071 1069211677 /nfs/dbraw/zinc/21/16/77/1069211677.db2.gz VCYSZBUVHPGQBE-OAHLLOKOSA-N 1 2 453.312 4.145 20 0 JIADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)c1cnn(-c2ccccn2)c1C(F)(F)F ZINC001354465168 1069239517 /nfs/dbraw/zinc/23/95/17/1069239517.db2.gz LUAZFVAIQVOYIS-UHFFFAOYSA-N 1 2 458.488 4.060 20 0 JIADLO FC(F)(Oc1cccnc1Cl)N1CCO[C@H](c2[nH+]cn3c2cccc3Br)C1 ZINC001164421280 718889911 /nfs/dbraw/zinc/88/99/11/718889911.db2.gz WTHSCNLWRLXXFP-ZDUSSCGKSA-N 1 2 459.678 4.148 20 0 JIADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ncc(OC)c(NC(C)C)n1)CC2 ZINC001164661379 719344888 /nfs/dbraw/zinc/34/48/88/719344888.db2.gz KQNSSNWPEWTMKT-UHFFFAOYSA-N 1 2 461.614 4.000 20 0 JIADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ncc(OC)c(NC(C)C)n1)CC2 ZINC001164661379 719344891 /nfs/dbraw/zinc/34/48/91/719344891.db2.gz KQNSSNWPEWTMKT-UHFFFAOYSA-N 1 2 461.614 4.000 20 0 JIADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ncc(C(=O)OC)cc1Cl)CC2 ZINC001164659254 719345585 /nfs/dbraw/zinc/34/55/85/719345585.db2.gz AQIVYKDDMMOEHI-UHFFFAOYSA-N 1 2 465.985 4.216 20 0 JIADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ncc(C(=O)OC)cc1Cl)CC2 ZINC001164659254 719345587 /nfs/dbraw/zinc/34/55/87/719345587.db2.gz AQIVYKDDMMOEHI-UHFFFAOYSA-N 1 2 465.985 4.216 20 0 JIADLO CCOC(=O)c1nnc(Cl)cc1N1CCC2(CC1)c1ncc(-c3ccccc3)n1CC[N@H+]2CC ZINC001164663535 719348941 /nfs/dbraw/zinc/34/89/41/719348941.db2.gz KAVQGBNTIYULTR-UHFFFAOYSA-N 1 2 481.000 4.001 20 0 JIADLO CCOC(=O)c1nnc(Cl)cc1N1CCC2(CC1)c1ncc(-c3ccccc3)n1CC[N@@H+]2CC ZINC001164663535 719348945 /nfs/dbraw/zinc/34/89/45/719348945.db2.gz KAVQGBNTIYULTR-UHFFFAOYSA-N 1 2 481.000 4.001 20 0 JIADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ncnc(-c3cccc(F)c3)n1)CC2 ZINC001164658455 719354655 /nfs/dbraw/zinc/35/46/55/719354655.db2.gz HHRHUSYVKIFVBS-UHFFFAOYSA-N 1 2 469.568 4.372 20 0 JIADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ncnc(-c3cccc(F)c3)n1)CC2 ZINC001164658455 719354659 /nfs/dbraw/zinc/35/46/59/719354659.db2.gz HHRHUSYVKIFVBS-UHFFFAOYSA-N 1 2 469.568 4.372 20 0 JIADLO NC(=O)c1ccc(-c2c[nH+]c3n2CCC32CCN(C(F)(F)Oc3ccnc(Cl)c3)CC2)cc1 ZINC001164695872 719830431 /nfs/dbraw/zinc/83/04/31/719830431.db2.gz GGZRAOCPGMCEFX-UHFFFAOYSA-N 1 2 473.911 4.064 20 0 JIADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nc(-c2ccccc2)cc(-c2ccccc2)n1 ZINC001164706568 719847561 /nfs/dbraw/zinc/84/75/61/719847561.db2.gz XREQMKMGCYGAOQ-NEKDWFFYSA-N 1 2 472.589 4.043 20 0 JIADLO CC(=O)NC[C@@H]1c2[nH+]cn(C(C)C)c2CCN1C(F)(F)c1cnc(Cl)c(-c2ccncc2)c1 ZINC001164721522 720317417 /nfs/dbraw/zinc/31/74/17/720317417.db2.gz HJZFYOFUVFSHRV-HXUWFJFHSA-N 1 2 474.943 4.359 20 0 JIADLO CCOC(=O)c1sc2nc(C[NH+]3CCCCC3)nc(N3CCC[C@@]4(CCC(=O)N4)[C@H]3CC)c2c1C ZINC001164843764 720755176 /nfs/dbraw/zinc/75/51/76/720755176.db2.gz AMYIFHVNHZICPF-WXTAPIANSA-N 1 2 499.681 4.190 20 0 JIADLO FC(F)(c1cc(Cl)nc(-c2ccncc2)n1)N1CCC2(CC1)CN(c1cccc[nH+]1)CCO2 ZINC001164871582 721219962 /nfs/dbraw/zinc/21/99/62/721219962.db2.gz JYFRLSQPOPYPNN-UHFFFAOYSA-N 1 2 472.927 4.008 20 0 JIADLO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2C[C@H]3CN(Cc4nccs4)C[C@H]3C2)n1 ZINC001164790210 721426448 /nfs/dbraw/zinc/42/64/48/721426448.db2.gz XFTXMFVGDVMVRD-HDICACEKSA-N 1 2 456.685 4.175 20 0 JIADLO FC(F)(Oc1cccc(COc2cncc(Cl)n2)c1)N1C[C@@H]2C[NH+](Cc3nccs3)C[C@H]2C1 ZINC001164784748 721436316 /nfs/dbraw/zinc/43/63/16/721436316.db2.gz MAAOMBCPOXKOSL-IRXDYDNUSA-N 1 2 493.967 4.158 20 0 JIADLO COc1ccccc1-c1cc(C(F)(F)N2C[C@@H]3C[N@@H+](Cc4nccs4)C[C@@H]3C2)c(Cl)nn1 ZINC001164780836 721438798 /nfs/dbraw/zinc/43/87/98/721438798.db2.gz CIBJLJNVLQTCPI-GASCZTMLSA-N 1 2 477.968 4.375 20 0 JIADLO COc1ccccc1-c1cc(C(F)(F)N2C[C@@H]3C[N@H+](Cc4nccs4)C[C@@H]3C2)c(Cl)nn1 ZINC001164780836 721438799 /nfs/dbraw/zinc/43/87/99/721438799.db2.gz CIBJLJNVLQTCPI-GASCZTMLSA-N 1 2 477.968 4.375 20 0 JIADLO COc1ccc(-c2cc(C(F)(F)N3C[C@@H]4C[NH+](Cc5nccs5)C[C@H]4C3)c(Cl)nn2)cc1 ZINC001164781399 721438996 /nfs/dbraw/zinc/43/89/96/721438996.db2.gz FTDMXIZTGHHTPR-HOTGVXAUSA-N 1 2 477.968 4.375 20 0 JIADLO Cc1c[nH+]c2n1CCN(C)C21CCN(c2nc(C)c(Cc3ccc(Cl)cc3)c(C)n2)CC1 ZINC001164919070 721821344 /nfs/dbraw/zinc/82/13/44/721821344.db2.gz LNQWRCVJMUDVAN-UHFFFAOYSA-N 1 2 451.018 4.284 20 0 JIADLO O=C1NCC[N@H+](Cc2ccccc2)C12CCN(c1ccc(-c3ccc(N4CCCCC4)cc3)nn1)CC2 ZINC001164949881 721980349 /nfs/dbraw/zinc/98/03/49/721980349.db2.gz RAAXQPBWQREJGN-UHFFFAOYSA-N 1 2 496.659 4.105 20 0 JIADLO O=C1NCC[N@@H+](Cc2ccccc2)C12CCN(c1ccc(-c3ccc(N4CCCCC4)cc3)nn1)CC2 ZINC001164949881 721980352 /nfs/dbraw/zinc/98/03/52/721980352.db2.gz RAAXQPBWQREJGN-UHFFFAOYSA-N 1 2 496.659 4.105 20 0 JIADLO O=C1NCC[N@@H+](Cc2ccccc2)C12CCN(c1cnc(Cl)nc1Oc1ccccc1F)CC2 ZINC001164950433 721981639 /nfs/dbraw/zinc/98/16/39/721981639.db2.gz UELZQCMYEYLHCX-UHFFFAOYSA-N 1 2 481.959 4.032 20 0 JIADLO O=C1NCC[N@H+](Cc2ccccc2)C12CCN(c1cnc(Cl)nc1Oc1ccccc1F)CC2 ZINC001164950433 721981640 /nfs/dbraw/zinc/98/16/40/721981640.db2.gz UELZQCMYEYLHCX-UHFFFAOYSA-N 1 2 481.959 4.032 20 0 JIADLO COc1ccccc1SCc1nnc(N2CC[C@H](CC(C)C)C2)n1CC[N@@H+]1CCOC[C@H]1C ZINC001300672145 1069408456 /nfs/dbraw/zinc/40/84/56/1069408456.db2.gz FSTXUVGGLBWCPN-NHCUHLMSSA-N 1 2 473.687 4.172 20 0 JIADLO COc1ccccc1SCc1nnc(N2CC[C@H](CC(C)C)C2)n1CC[N@H+]1CCOC[C@H]1C ZINC001300672145 1069408467 /nfs/dbraw/zinc/40/84/67/1069408467.db2.gz FSTXUVGGLBWCPN-NHCUHLMSSA-N 1 2 473.687 4.172 20 0 JIADLO CC(=O)N1CC[NH+](CCn2c([C@@H](C)Oc3cccc(Cl)c3)nnc2N2CCCCCCC2)CC1 ZINC001359400561 1069505644 /nfs/dbraw/zinc/50/56/44/1069505644.db2.gz OZEYZJOVMQQZRT-HXUWFJFHSA-N 1 2 489.064 4.006 20 0 JIADLO CC(C)(C)C(=O)NC[C@H]1CCCN(c2nnc(Cc3ccsc3)n2CCCNc2cccc[nH+]2)C1 ZINC001359491494 1069706123 /nfs/dbraw/zinc/70/61/23/1069706123.db2.gz PVXKCEMLQYIPBJ-OAQYLSRUSA-N 1 2 495.697 4.206 20 0 JIADLO CC(C)(C)c1nnc(N2CCCN(CC(F)(F)F)CC2)n1Cc1ccc(N2CCCCCC2)[nH+]c1 ZINC001359511898 1069791444 /nfs/dbraw/zinc/79/14/44/1069791444.db2.gz FCJGWBWDIJBRSB-UHFFFAOYSA-N 1 2 493.622 4.474 20 0 JIADLO CC(C)[C@@H](Cn1c(CC(C)(C)C)nnc1N1CCC(C(=O)c2cccs2)CC1)[NH+]1CCOCC1 ZINC001359662765 1070285045 /nfs/dbraw/zinc/28/50/45/1070285045.db2.gz GAFFNVKQDBNAJL-OAQYLSRUSA-N 1 2 487.714 4.384 20 0 JIADLO CC(C)c1nnc(N2CCC(CC(=O)N3CCCC3)CC2)n1C[C@H](c1c(F)cccc1F)[NH+](C)C ZINC001359695574 1070353903 /nfs/dbraw/zinc/35/39/03/1070353903.db2.gz NOMVVFZCXBHHSI-JOCHJYFZSA-N 1 2 488.627 4.212 20 0 JIADLO CC(C)c1nnc(N2CC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)n1Cc1ccccc1-n1cc[nH+]c1 ZINC001359691907 1070350206 /nfs/dbraw/zinc/35/02/06/1070350206.db2.gz BGRRWDZIWVFKOQ-UXHICEINSA-N 1 2 479.629 4.375 20 0 JIADLO CC(C)c1nnc(N2CCc3c(cc[nH+]c3N(C)C)C2)n1C[C@H](c1c(F)cccc1F)N(C)C ZINC001359703259 1070369290 /nfs/dbraw/zinc/36/92/90/1070369290.db2.gz XMQBBZNUYOYLQU-OAQYLSRUSA-N 1 2 469.584 4.006 20 0 JIADLO COc1ccc(CN(C)c2nnc(-c3ccc[nH]3)n2Cc2ccc(N(C)C)[nH+]c2)cc1OC(F)F ZINC001315472538 1064312900 /nfs/dbraw/zinc/31/29/00/1064312900.db2.gz KRZOWAQFVRSCRW-UHFFFAOYSA-N 1 2 483.523 4.029 20 0 JIADLO COc1ccc(Cl)cc1Cn1c(N2CCc3c(cc[nH+]c3N(C)C)C2)nnc1C(C)(C)C ZINC001315509673 1064437732 /nfs/dbraw/zinc/43/77/32/1064437732.db2.gz FVIJSKOHACKDLN-UHFFFAOYSA-N 1 2 455.006 4.310 20 0 JIADLO COc1ccc(F)cc1Cn1c(C(C)C)nnc1N(C)C[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC001315510497 1064441873 /nfs/dbraw/zinc/44/18/73/1064441873.db2.gz VTZQCOFUKYOQNW-FQEVSTJZSA-N 1 2 473.618 4.169 20 0 JIADLO COc1ccc(F)cc1C[NH+]1CCN(c2nnc(Cc3ccsc3)n2CCCSC)CC1 ZINC001315515021 1064460780 /nfs/dbraw/zinc/46/07/80/1064460780.db2.gz CKNBHNYKWPMXDT-UHFFFAOYSA-N 1 2 475.659 4.153 20 0 JIADLO COc1cccc([C@H](C)[NH+]2CCN(c3nnc(C(C)(C)C)n3CC[S@](=O)C(C)(C)C)CC2)c1 ZINC001315547001 1064555730 /nfs/dbraw/zinc/55/57/30/1064555730.db2.gz ZOJMXOROSFDYQY-FPYOTAMTSA-N 1 2 475.703 4.015 20 0 JIADLO COc1ccccc1CN(CCO)c1nnc(C(C)(C)C)n1Cc1ccc(N2CCCCCC2)[nH+]c1 ZINC001315640533 1064802936 /nfs/dbraw/zinc/80/29/36/1064802936.db2.gz SHQUQCVKHGAHOK-UHFFFAOYSA-N 1 2 492.668 4.407 20 0 JIADLO COc1ccccc1OCc1nnc(N2CCS[C@H](C)[C@@H]2C)n1CCCNc1cccc[nH+]1 ZINC001315660142 1064856250 /nfs/dbraw/zinc/85/62/50/1064856250.db2.gz ZKLOTYPBHOHQEC-RBUKOAKNSA-N 1 2 468.627 4.093 20 0 JIADLO COc1ccccc1SCc1nnc(N(C)C[C@@H]2CCCCO2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001315662192 1064864105 /nfs/dbraw/zinc/86/41/05/1064864105.db2.gz QXQQQHRJRVLSJI-FQEVSTJZSA-N 1 2 482.654 4.094 20 0 JIADLO COc1ccccc1SCc1nnc(N(C)CC2CCCCC2)n1C[C@H](C)[NH+]1CCOCC1 ZINC001315662642 1064866783 /nfs/dbraw/zinc/86/67/83/1064866783.db2.gz ZHQMDYNNNNAZQZ-FQEVSTJZSA-N 1 2 473.687 4.316 20 0 JIADLO COc1ccccc1SCc1nnc(N2CC[C@@H](C)C(C)(C)C2)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001315665950 1064880808 /nfs/dbraw/zinc/88/08/08/1064880808.db2.gz USEQQLRCPFOGBC-UXHICEINSA-N 1 2 473.687 4.172 20 0 JIADLO COc1ccccc1SCc1nnc(N2CC[C@@H](C)C(C)(C)C2)n1CC[N@H+]1CCOC[C@@H]1C ZINC001315665950 1064880810 /nfs/dbraw/zinc/88/08/10/1064880810.db2.gz USEQQLRCPFOGBC-UXHICEINSA-N 1 2 473.687 4.172 20 0 JIADLO COc1ccccc1SCc1nnc(N2CCc3c(cc[nH+]c3N(C)C)C2)n1C[C@](C)(O)C(C)C ZINC001315666610 1064883366 /nfs/dbraw/zinc/88/33/66/1064883366.db2.gz CNNFGRRQZJILTI-SANMLTNESA-N 1 2 496.681 4.010 20 0 JIADLO COc1cc[nH+]cc1Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1C[C@H](C)OC(C)(C)C1 ZINC001315668959 1064894186 /nfs/dbraw/zinc/89/41/86/1064894186.db2.gz DXSFLXSYUFPRFC-SFHVURJKSA-N 1 2 481.597 4.197 20 0 JIADLO COc1cc[nH+]cc1Cn1c(-c2ccc(Cl)nc2)nnc1N(C)CC(=O)Nc1cccc(C)c1C ZINC001315668999 1064894630 /nfs/dbraw/zinc/89/46/30/1064894630.db2.gz GCHGLEWACFLEEE-UHFFFAOYSA-N 1 2 491.983 4.137 20 0 JIADLO COc1cc[nH+]cc1Cn1c(-c2ccc(Cl)cc2)nnc1N1CCN(CC(F)(F)C(F)F)CC1 ZINC001315669214 1064895439 /nfs/dbraw/zinc/89/54/39/1064895439.db2.gz JUFFHQKYLNXYGS-UHFFFAOYSA-N 1 2 498.912 4.073 20 0 JIADLO COc1cc[nH+]cc1Cn1c(-c2ccccc2C)nnc1N(C)Cc1cn(C)nc1C(F)(F)F ZINC001315669160 1064895452 /nfs/dbraw/zinc/89/54/52/1064895452.db2.gz ICSYRVFIVNPIKA-UHFFFAOYSA-N 1 2 471.487 4.094 20 0 JIADLO COc1ccccc1SCc1nnc(N2CC[C@@H](C)[C@@H](O)C2)n1CCCc1cccc(C)[nH+]1 ZINC001315669729 1064896826 /nfs/dbraw/zinc/89/68/26/1064896826.db2.gz KTCADEWPWVGTSY-NQIIRXRSSA-N 1 2 467.639 4.122 20 0 JIADLO COc1cc[nH+]cc1Cn1c(-c2ccccc2Cl)nnc1N1C[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C1 ZINC001315669462 1064896874 /nfs/dbraw/zinc/89/68/74/1064896874.db2.gz LOJRTABNWNANTF-OXQOHEQNSA-N 1 2 499.015 4.400 20 0 JIADLO COc1cc[nH+]cc1Cn1c(-c2ccccc2C)nnc1N1CCC[C@H](CNC(=O)C(C)(C)C)C1 ZINC001315670268 1064899114 /nfs/dbraw/zinc/89/91/14/1064899114.db2.gz VQGXAWDNZDKQNV-HXUWFJFHSA-N 1 2 476.625 4.084 20 0 JIADLO COc1cc[nH+]cc1Cn1c(COc2cc(C)cc(C)c2)nnc1N1CC[C@@H](OCC(C)C)C1 ZINC001315671666 1064901190 /nfs/dbraw/zinc/90/11/90/1064901190.db2.gz DUHSIQNKGDTALC-JOCHJYFZSA-N 1 2 465.598 4.177 20 0 JIADLO COc1cc[nH+]cc1Cn1c(Cc2csc(C)n2)nnc1N(C)Cc1ccccc1SC ZINC001315671504 1064901413 /nfs/dbraw/zinc/90/14/13/1064901413.db2.gz HNRIRRVOOQHIDE-UHFFFAOYSA-N 1 2 466.636 4.444 20 0 JIADLO COc1cc[nH+]cc1Cn1c(CC(C)(C)C)nnc1N1C[C@@H](C2CC2)[C@H](NC(=O)OC(C)(C)C)C1 ZINC001315671752 1064901665 /nfs/dbraw/zinc/90/16/65/1064901665.db2.gz KSWPBSDICGAGQN-VQTJNVASSA-N 1 2 484.645 4.058 20 0 JIADLO COc1cc[nH+]cc1Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@H](C(C)C)C1 ZINC001315671800 1064902466 /nfs/dbraw/zinc/90/24/66/1064902466.db2.gz KGLQBRGXDHCJNY-VQTJNVASSA-N 1 2 484.645 4.327 20 0 JIADLO COc1cc[nH+]cc1Cn1c(COc2ccccc2F)nnc1N1CC=C(C(F)(F)F)CC1 ZINC001315673203 1064905029 /nfs/dbraw/zinc/90/50/29/1064905029.db2.gz VKFNLGURSDBSFF-UHFFFAOYSA-N 1 2 463.435 4.147 20 0 JIADLO CO[C@@H]1CCCN(c2nnc([C@@H](C)Oc3c(C)cc(Cl)cc3C)n2C[C@H](C)[NH+]2CCOCC2)C1 ZINC001315688284 1064941447 /nfs/dbraw/zinc/94/14/47/1064941447.db2.gz CGYXZLFSVGSPBE-TUNNFDKTSA-N 1 2 492.064 4.024 20 0 JIADLO COCC(C)(C)CCCn1c(N2CC[NH+](Cc3ccc(OC)c(F)c3)CC2)nnc1C(C)(C)C ZINC001315762061 1065075440 /nfs/dbraw/zinc/07/54/40/1065075440.db2.gz ZBESTVFDRALSNP-UHFFFAOYSA-N 1 2 475.653 4.498 20 0 JIADLO COCc1ccc(Cn2c(C(C)C)nnc2N2CCN(c3cc(C)[nH+]c(C(C)C)n3)CC2)cc1 ZINC001315853212 1065253247 /nfs/dbraw/zinc/25/32/47/1065253247.db2.gz IBYJRNHRGLFDNE-UHFFFAOYSA-N 1 2 463.630 4.145 20 0 JIADLO COCC1=CCN(c2nnc(Cc3ccsc3)n2C[C@H](c2c(F)cccc2F)[NH+](C)C)CC1 ZINC001315866466 1065283841 /nfs/dbraw/zinc/28/38/41/1065283841.db2.gz SLHKNPFGVYODNV-OAQYLSRUSA-N 1 2 473.593 4.294 20 0 JIADLO COC[C@H]1CCCCN(c2nnc(Cc3ccncc3)n2C[C@H](c2c(F)cccc2F)[NH+](C)C)C1 ZINC001315882356 1065322317 /nfs/dbraw/zinc/32/23/17/1065322317.db2.gz SDFCPHPHLUNOLE-NZQKXSOJSA-N 1 2 484.595 4.098 20 0 JIADLO COC[C@@H]1CCCN(c2nnc(-c3ccc(Br)cc3)n2CCCNc2cccc[nH+]2)C1 ZINC001315895574 1065361256 /nfs/dbraw/zinc/36/12/56/1065361256.db2.gz PFLGCSBXLFJQKT-GOSISDBHSA-N 1 2 485.430 4.468 20 0 JIADLO COCCN(c1nnc(-c2cccc(OC)c2)n1Cc1ccc(N(C)C)[nH+]c1)[C@@H]1CC[C@H](C)C1 ZINC001316080024 1065724986 /nfs/dbraw/zinc/72/49/86/1065724986.db2.gz NKEHRVOUOHQJKN-SIKLNZKXSA-N 1 2 464.614 4.104 20 0 JIADLO COCCN(CC(C)C)c1nnc(-c2ccc(C)o2)n1Cc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC001316085989 1065738325 /nfs/dbraw/zinc/73/83/25/1065738325.db2.gz NORVKMYWBAFZIH-UHFFFAOYSA-N 1 2 452.534 4.328 20 0 JIADLO COCCO[C@H](C)c1nnc(N2C[C@@H](C)C[C@H](C)C2)n1Cc1ccc(N2CCCCCC2)[nH+]c1 ZINC001316160190 1065826323 /nfs/dbraw/zinc/82/63/23/1065826323.db2.gz HEHZTRGEIIXRQZ-FDFHNCONSA-N 1 2 470.662 4.308 20 0 JIADLO CS[C@H](C)Cn1c(-c2ccc(-c3ccc(F)cc3)s2)nnc1N(C)CC[NH+]1CCOCC1 ZINC001316377241 1066141804 /nfs/dbraw/zinc/14/18/04/1066141804.db2.gz XJCMAOHCTVWQPT-QGZVFWFLSA-N 1 2 475.659 4.333 20 0 JIADLO CSc1ccc(F)cc1Cn1c(CC(C)(C)C)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC001316422412 1066230858 /nfs/dbraw/zinc/23/08/58/1066230858.db2.gz UUMQJXXOKYHHSI-UHFFFAOYSA-N 1 2 454.619 4.498 20 0 JIADLO CC(C)(C(=O)OCC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)c1ccc(Cl)c(Cl)c1 ZINC001324942638 1066233312 /nfs/dbraw/zinc/23/33/12/1066233312.db2.gz GKAQBYLBIXPNGS-UHFFFAOYSA-N 1 2 465.377 4.285 20 0 JIADLO O=C(CCC(=O)c1ccc2c(c1)OCCCO2)Nc1ccc2nc(C[NH+]3CCCCC3)[nH]c2c1 ZINC001325993282 1066278198 /nfs/dbraw/zinc/27/81/98/1066278198.db2.gz YYMMEUQWNZEMIV-UHFFFAOYSA-N 1 2 462.550 4.312 20 0 JIADLO Cc1cccc(-c2nnc(N(C)CCC(F)(F)F)n2Cc2ccc(N3CCCCC3)[nH+]c2)n1 ZINC001492502364 1066302999 /nfs/dbraw/zinc/30/29/99/1066302999.db2.gz TXGPUMOKWPKBTK-UHFFFAOYSA-N 1 2 459.520 4.471 20 0 JIADLO Cc1cccc(-c2nnc(N(CC(C)C)C(C)C)n2Cc2ccc(N3CCO[C@@H](C)C3)[nH+]c2)n1 ZINC001492504452 1066320767 /nfs/dbraw/zinc/32/07/67/1066320767.db2.gz WRQXZERNSNXFRO-NRFANRHFSA-N 1 2 463.630 4.188 20 0 JIADLO CSCC[C@H](C)N(C)c1nnc([C@H]2CCCCO2)n1Cc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC001316449780 1066327116 /nfs/dbraw/zinc/32/71/16/1066327116.db2.gz VCFWOSLSGXEBCP-LAUBAEHRSA-N 1 2 458.607 4.471 20 0 JIADLO CSCCCCn1c(Cc2cccnc2)nnc1N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC001316463251 1066361051 /nfs/dbraw/zinc/36/10/51/1066361051.db2.gz QKCGMYOHPFDGTD-UHFFFAOYSA-N 1 2 471.074 4.383 20 0 JIADLO Cc1cccc(CCCn2c([C@@H]3CCCOC3)nnc2N(C)CC(=O)N(C)[C@H](C)c2ccccc2)[nH+]1 ZINC001492525846 1066412702 /nfs/dbraw/zinc/41/27/02/1066412702.db2.gz ITWJGHXQIGTTFB-ISKFKSNPSA-N 1 2 490.652 4.164 20 0 JIADLO Cc1cccc(CCCn2c(N3CCC=C(Br)C3)nnc2[C@@]2(OC(C)C)CCOC2)[nH+]1 ZINC001492527478 1066422664 /nfs/dbraw/zinc/42/26/64/1066422664.db2.gz IXUDMVGLAVTJNE-HSZRJFAPSA-N 1 2 490.446 4.144 20 0 JIADLO Cc1cccc(CCCn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCCN(C(=O)C(C)C)CC2)[nH+]1 ZINC001492527642 1066424030 /nfs/dbraw/zinc/42/40/30/1066424030.db2.gz OJNGTMPAYKMYEJ-DNQXCXABSA-N 1 2 496.700 4.228 20 0 JIADLO Cc1cccc(CCCn2c(COc3ccc(F)cc3)nnc2N2C[C@@H](C)OC(C)(C)C2)[nH+]1 ZINC001492527495 1066425115 /nfs/dbraw/zinc/42/51/15/1066425115.db2.gz JRCLPGFYZVGOQF-LJQANCHMSA-N 1 2 453.562 4.336 20 0 JIADLO C[C@H](Cn1c(CC2CC2)nnc1N1CC[NH+](Cc2cccc(Cl)c2)CC1)NC(=O)OC(C)(C)C ZINC001316498868 1066455474 /nfs/dbraw/zinc/45/54/74/1066455474.db2.gz YNTAASOEJJQUBH-GOSISDBHSA-N 1 2 489.064 4.119 20 0 JIADLO COc1ccc(-c2cc(NC(=O)NCc3ccccc3OCC[NH+]3CCOCC3)ccc2OC)cc1 ZINC001337978000 1066522345 /nfs/dbraw/zinc/52/23/45/1066522345.db2.gz DOANNEUBNHKBMP-UHFFFAOYSA-N 1 2 491.588 4.404 20 0 JIADLO Cc1cccc(CCCOCCOC(=O)c2ccc3c(c2)C(=O)N(C2CCCCC2)C3=O)[nH+]1 ZINC001343499578 1066618039 /nfs/dbraw/zinc/61/80/39/1066618039.db2.gz DNUMNDWFVGZKQE-UHFFFAOYSA-N 1 2 450.535 4.125 20 0 JIADLO Cc1cccc(OCc2nnc(N(C)Cc3ccc(Cl)s3)n2CC[N@H+]2CCOC[C@H]2C)c1 ZINC001492538815 1066620475 /nfs/dbraw/zinc/62/04/75/1066620475.db2.gz SEVLIEKAJWVKIU-GOSISDBHSA-N 1 2 476.046 4.238 20 0 JIADLO Cc1cccc(OCc2nnc(N(C)Cc3ccc(Cl)s3)n2CC[N@@H+]2CCOC[C@H]2C)c1 ZINC001492538815 1066620484 /nfs/dbraw/zinc/62/04/84/1066620484.db2.gz SEVLIEKAJWVKIU-GOSISDBHSA-N 1 2 476.046 4.238 20 0 JIADLO CCn1c(-c2cccc(S(=O)(=O)N3CCCC3)c2)nn(C[N@@H+]2CC[C@H]3CCCC[C@@H]3C2)c1=S ZINC001317705368 1066638160 /nfs/dbraw/zinc/63/81/60/1066638160.db2.gz YVCFZLANTRSJDV-TZIWHRDSSA-N 1 2 489.711 4.355 20 0 JIADLO CCn1c(-c2cccc(S(=O)(=O)N3CCCC3)c2)nn(C[N@H+]2CC[C@H]3CCCC[C@@H]3C2)c1=S ZINC001317705368 1066638165 /nfs/dbraw/zinc/63/81/65/1066638165.db2.gz YVCFZLANTRSJDV-TZIWHRDSSA-N 1 2 489.711 4.355 20 0 JIADLO O=C(O[C@@H](Cn1cc[nH+]c1)c1ccc(Cl)cc1Cl)c1ccc(S(=O)(=O)NC2CC2)cc1 ZINC001348216781 1066728386 /nfs/dbraw/zinc/72/83/86/1066728386.db2.gz JVFNMTVGBWRKBG-FQEVSTJZSA-N 1 2 480.373 4.229 20 0 JIADLO C[C@@H]1CN(Cc2csc(NC(=O)N3CC[NH+](Cc4ccc(C(F)(F)F)cc4)CC3)n2)C[C@H](C)O1 ZINC001317846773 1066729380 /nfs/dbraw/zinc/72/93/80/1066729380.db2.gz XYZOHBNOPRAMDM-CALCHBBNSA-N 1 2 497.587 4.121 20 0 JIADLO Cc1cc(C)c(C(=O)N2CCN(S(=O)(=O)c3c(C)cc(C(C)(C)C)cc3C)CC2)c(C)[nH+]1 ZINC001348444934 1066745230 /nfs/dbraw/zinc/74/52/30/1066745230.db2.gz SLRMNBQWWXNFHT-UHFFFAOYSA-N 1 2 457.640 4.068 20 0 JIADLO O=C(C[N@H+]1CCC[C@@H]1c1cccc(Cl)c1)Nc1cccc(S(=O)(=O)NC2=NCCCCC2)c1 ZINC001317885301 1066753821 /nfs/dbraw/zinc/75/38/21/1066753821.db2.gz NHSLOEDVRABKGE-JOCHJYFZSA-N 1 2 489.041 4.366 20 0 JIADLO O=C(C[N@@H+]1CCC[C@@H]1c1cccc(Cl)c1)Nc1cccc(S(=O)(=O)NC2=NCCCCC2)c1 ZINC001317885301 1066753832 /nfs/dbraw/zinc/75/38/32/1066753832.db2.gz NHSLOEDVRABKGE-JOCHJYFZSA-N 1 2 489.041 4.366 20 0 JIADLO Cn1c(C(=O)O[C@H](Cn2cc[nH+]c2)c2ccc(Cl)cc2Cl)cc2c1nc1ccccn1c2=O ZINC001348704660 1066772277 /nfs/dbraw/zinc/77/22/77/1066772277.db2.gz QVEXDDQBYCJNLF-LJQANCHMSA-N 1 2 482.327 4.288 20 0 JIADLO O=C(NCc1ccc2c(c1)CCC2)NCc1cc[nH+]c(N2CCN(c3ccc(F)cc3)CC2)c1 ZINC001317914894 1066783637 /nfs/dbraw/zinc/78/36/37/1066783637.db2.gz ZDTHQKGIEOPYCY-UHFFFAOYSA-N 1 2 459.569 4.035 20 0 JIADLO Cc1c(NC(=O)c2ccccc2I)cccc1NC(=O)[C@@H](C)n1cc[nH+]c1 ZINC001317998156 1066841261 /nfs/dbraw/zinc/84/12/61/1066841261.db2.gz FHWGXIJNMREUHD-CQSZACIVSA-N 1 2 474.302 4.248 20 0 JIADLO CC[NH+](CC)Cc1nc(C2(NC(=O)CSc3ccc(Br)cc3)CCCC2)no1 ZINC001318055176 1066874385 /nfs/dbraw/zinc/87/43/85/1066874385.db2.gz CCWHGHDKFKHDJZ-UHFFFAOYSA-N 1 2 467.433 4.352 20 0 JIADLO Cc1cccc(OCc2nnc(N3CC[NH+]([C@H](C)C(=O)N4CCCC4)CC3)n2CCCC(C)(C)C)c1 ZINC001492547486 1066928917 /nfs/dbraw/zinc/92/89/17/1066928917.db2.gz ZZAIPRLLDADWMC-HSZRJFAPSA-N 1 2 496.700 4.125 20 0 JIADLO COc1ncc(/C=C/C(=O)NC[C@H](c2ccc(Cl)cc2)[N@@H+]2CCc3sccc3C2)cn1 ZINC001350340420 1066945474 /nfs/dbraw/zinc/94/54/74/1066945474.db2.gz OEGQCZHXRTXJGH-ZLQPLPCPSA-N 1 2 454.983 4.129 20 0 JIADLO COc1ncc(/C=C/C(=O)NC[C@H](c2ccc(Cl)cc2)[N@H+]2CCc3sccc3C2)cn1 ZINC001350340420 1066945482 /nfs/dbraw/zinc/94/54/82/1066945482.db2.gz OEGQCZHXRTXJGH-ZLQPLPCPSA-N 1 2 454.983 4.129 20 0 JIADLO CC[NH+](CC)Cc1csc(NC(=O)Cn2cnc3scc(-c4cccs4)c3c2=O)n1 ZINC001350431323 1066957775 /nfs/dbraw/zinc/95/77/75/1066957775.db2.gz GOUAUZNXRLGUST-UHFFFAOYSA-N 1 2 459.622 4.124 20 0 JIADLO CN(Cc1ccccc1)C(=O)N1CCC(C(=O)Nc2ccc3nc(C[NH+]4CCCCC4)[nH]c3c2)CC1 ZINC001318261837 1066989456 /nfs/dbraw/zinc/98/94/56/1066989456.db2.gz GZJDABWYOLYXKY-UHFFFAOYSA-N 1 2 488.636 4.451 20 0 JIADLO O=C(c1ccc(Cn2cccc2)cc1)N1CC[NH+](CCCc2nc(-c3cccs3)no2)CC1 ZINC001318283543 1067001319 /nfs/dbraw/zinc/00/13/19/1067001319.db2.gz BDYMGUFSFDBAJQ-UHFFFAOYSA-N 1 2 461.591 4.039 20 0 JIADLO COc1cc[nH+]cc1Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N(C)[C@H](C)CCSC ZINC001300686151 1067028488 /nfs/dbraw/zinc/02/84/88/1067028488.db2.gz CQCUVPVGFZBLQX-GOSISDBHSA-N 1 2 468.627 4.177 20 0 JIADLO COc1cc[nH+]cc1Cn1c(-c2ccccc2Br)nnc1N(C)Cc1ccoc1 ZINC001300692163 1067041492 /nfs/dbraw/zinc/04/14/92/1067041492.db2.gz ATPUQRDBRUOQSE-UHFFFAOYSA-N 1 2 454.328 4.389 20 0 JIADLO COc1cc[nH+]cc1Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1C[C@H](C)O[C@@H](C)C1 ZINC001300693288 1067044298 /nfs/dbraw/zinc/04/42/98/1067044298.db2.gz DHAFKMWDQVIPTI-ULQDDVLXSA-N 1 2 457.962 4.137 20 0 JIADLO COc1cc[nH+]cc1Cn1c(-c2ccc(Br)cc2)nnc1N1CCS[C@@H](C)[C@H]1C ZINC001300693619 1067045374 /nfs/dbraw/zinc/04/53/74/1067045374.db2.gz HYIDFFLXRQDDOB-CABCVRRESA-N 1 2 474.428 4.490 20 0 JIADLO COc1cc[nH+]cc1Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N(C)[C@H]1CCSC1 ZINC001300693639 1067045677 /nfs/dbraw/zinc/04/56/77/1067045677.db2.gz IKVUBEJDUIKFGD-QAPCUYQASA-N 1 2 460.003 4.465 20 0 JIADLO COc1cc[nH+]cc1Cn1c(CCCOc2ccc(Cl)cc2C)nnc1Nc1ccn(C)n1 ZINC001300694520 1067048951 /nfs/dbraw/zinc/04/89/51/1067048951.db2.gz AHQBLKSJHRQKEB-UHFFFAOYSA-N 1 2 467.961 4.181 20 0 JIADLO COc1cc[nH+]cc1Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)Cc1cc(C)cs1 ZINC001300694428 1067049246 /nfs/dbraw/zinc/04/92/46/1067049246.db2.gz SLOSWWKAJBUCCU-UHFFFAOYSA-N 1 2 473.400 4.494 20 0 JIADLO COc1cc[nH+]cc1Cn1c(COc2cccc(C)c2)nnc1N1CCC[C@H](OC(C)(C)C)C1 ZINC001300695150 1067051260 /nfs/dbraw/zinc/05/12/60/1067051260.db2.gz MQKAPMZKBVDYNQ-QFIPXVFZSA-N 1 2 465.598 4.401 20 0 JIADLO COc1cc[nH+]cc1Cn1c(Cc2ccc(Cl)cc2)nnc1N1CC[C@@H](OCC(C)C)C1 ZINC001300696480 1067054019 /nfs/dbraw/zinc/05/40/19/1067054019.db2.gz CICXYWMGMCGZGS-OAQYLSRUSA-N 1 2 455.990 4.226 20 0 JIADLO COc1cc[nH+]cc1Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCCC(C)(C)C1 ZINC001300697857 1067056657 /nfs/dbraw/zinc/05/66/57/1067056657.db2.gz VDNITFUPSTVWJQ-IBGZPJMESA-N 1 2 484.645 4.471 20 0 JIADLO COc1cc[nH+]cc1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)CCOc1ccc(F)cc1 ZINC001300701461 1067061097 /nfs/dbraw/zinc/06/10/97/1067061097.db2.gz AFVCEKLMNUVJHB-FYYLOGMGSA-N 1 2 483.588 4.303 20 0 JIADLO Cc1ccc(C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)cc1NC(=O)Nc1ccccc1 ZINC001351353547 1067082671 /nfs/dbraw/zinc/08/26/71/1067082671.db2.gz JPCHRLXRVJCVFI-XMMPIXPASA-N 1 2 458.562 4.270 20 0 JIADLO Cc1ccc(C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)cc1NC(=O)Nc1ccccc1 ZINC001351353547 1067082684 /nfs/dbraw/zinc/08/26/84/1067082684.db2.gz JPCHRLXRVJCVFI-XMMPIXPASA-N 1 2 458.562 4.270 20 0 JIADLO COC1CCC(CCn2c(-c3ccc(Cl)cc3F)nnc2N(C)CC[NH+]2CCOCC2)CC1 ZINC001300714557 1067090169 /nfs/dbraw/zinc/09/01/69/1067090169.db2.gz WROZANUSIRLJTK-UHFFFAOYSA-N 1 2 480.028 4.101 20 0 JIADLO COc1ccc(C[C@H](C)N(C)C(=O)NCc2cc[nH+]c(N3CCN(c4ccc(F)cc4)CC3)c2)cc1 ZINC001320975715 1067096961 /nfs/dbraw/zinc/09/69/61/1067096961.db2.gz NUCQEHYENLRPGS-NRFANRHFSA-N 1 2 491.611 4.329 20 0 JIADLO NC(=O)c1ccc(C[NH+]2CCN(C(=O)Cc3csc(-c4c(Cl)cccc4Cl)n3)CC2)cc1 ZINC001321639743 1067186759 /nfs/dbraw/zinc/18/67/59/1067186759.db2.gz HBDVLVXCFURCGR-UHFFFAOYSA-N 1 2 489.428 4.103 20 0 JIADLO Cc1csc(Sc2c(Cl)cccc2NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)n1 ZINC001351766686 1067199318 /nfs/dbraw/zinc/19/93/18/1067199318.db2.gz WFVWEUPLMDPMRU-PBHICJAKSA-N 1 2 454.017 4.074 20 0 JIADLO CC[NH+](CC)Cc1nc(C2(NC(=O)COc3ccc(Cl)cc3Br)CCCC2)no1 ZINC001322078045 1067247121 /nfs/dbraw/zinc/24/71/21/1067247121.db2.gz VQHPTOOTCSMVMX-UHFFFAOYSA-N 1 2 485.810 4.292 20 0 JIADLO O=C(NCc1cc[nH+]c(N2CCCC2)c1)c1c(F)ccc(I)c1Cl ZINC001352117083 1067291745 /nfs/dbraw/zinc/29/17/45/1067291745.db2.gz JSJFCMNPLINNFA-UHFFFAOYSA-N 1 2 459.690 4.009 20 0 JIADLO COC(=O)c1cccc(Cc2cnc(NC(=O)Cn3c(C)[nH+]c4cc(F)c(F)cc43)s2)c1 ZINC001352228533 1067313309 /nfs/dbraw/zinc/31/33/09/1067313309.db2.gz YFCSXASVDLGFKF-UHFFFAOYSA-N 1 2 456.474 4.096 20 0 JIADLO CCS(=O)(=O)Nc1ccc(NC(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)cc1C ZINC001200003482 1067342543 /nfs/dbraw/zinc/34/25/43/1067342543.db2.gz NLVMXTXIPLQVMP-UHFFFAOYSA-N 1 2 451.552 4.316 20 0 JIADLO O=C(NCc1ccc(N2CCCC2=O)cc1)[C@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC001355217471 1067390380 /nfs/dbraw/zinc/39/03/80/1067390380.db2.gz AXZFNTHNJPNDIK-QFIPXVFZSA-N 1 2 456.384 4.029 20 0 JIADLO O=C(N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1)c1csc(Cc2cccc(C(F)(F)F)c2)n1 ZINC001355606060 1067524146 /nfs/dbraw/zinc/52/41/46/1067524146.db2.gz TVKMASCCXHRNRK-IEBWSBKVSA-N 1 2 453.530 4.126 20 0 JIADLO Cc1ccc(CC(=O)NCc2cc[nH+]c(N3CCN(c4ccc(F)cc4)CC3)c2)c(Cl)c1 ZINC001355755721 1067574297 /nfs/dbraw/zinc/57/42/97/1067574297.db2.gz UBULVTPGWFOERA-UHFFFAOYSA-N 1 2 452.961 4.368 20 0 JIADLO O=C(Cc1ccn(CC(F)(F)F)n1)NCc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC001352930431 1067807519 /nfs/dbraw/zinc/80/75/19/1067807519.db2.gz UVZQDDRFBXJDOG-UHFFFAOYSA-N 1 2 453.468 4.216 20 0 JIADLO COc1ccc(CCn2c(N3CCN(c4cccc[nH+]4)CC3)nnc2C(C)(C)C)cc1Br ZINC001300157449 1067813760 /nfs/dbraw/zinc/81/37/60/1067813760.db2.gz IWOWDSSFFVDXSO-UHFFFAOYSA-N 1 2 499.457 4.311 20 0 JIADLO COCCOCC[NH+]1CCN(C(=O)c2ccccc2Nc2ccc(Cl)c(Cl)c2)CC1 ZINC001300159789 1067815804 /nfs/dbraw/zinc/81/58/04/1067815804.db2.gz OTISAJWDDUGAQG-UHFFFAOYSA-N 1 2 452.382 4.158 20 0 JIADLO CC[C@H](C)[C@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)c1cnc(OCc2ccccc2)cn1 ZINC001357246865 1067823772 /nfs/dbraw/zinc/82/37/72/1067823772.db2.gz NCJXGTXHMUYBQI-NBGIEHNGSA-N 1 2 459.594 4.132 20 0 JIADLO CC[C@H](C)[C@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)c1cnc(OCc2ccccc2)cn1 ZINC001357246865 1067823777 /nfs/dbraw/zinc/82/37/77/1067823777.db2.gz NCJXGTXHMUYBQI-NBGIEHNGSA-N 1 2 459.594 4.132 20 0 JIADLO CC[C@@H](C)[C@@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)c1ccc2nc(C(F)(F)F)cn2c1 ZINC001357247042 1067824091 /nfs/dbraw/zinc/82/40/91/1067824091.db2.gz OYRMQRDDOFVZCN-UZLBHIALSA-N 1 2 459.516 4.429 20 0 JIADLO CC[C@@H](C)[C@@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)c1ccc2nc(C(F)(F)F)cn2c1 ZINC001357247042 1067824092 /nfs/dbraw/zinc/82/40/92/1067824092.db2.gz OYRMQRDDOFVZCN-UZLBHIALSA-N 1 2 459.516 4.429 20 0 JIADLO Cc1nc(C[N@@H+]2CCO[C@@H]3CN(C(=S)Nc4c(C)cccc4Cl)CC[C@@H]3C2)cs1 ZINC001200192679 1067826309 /nfs/dbraw/zinc/82/63/09/1067826309.db2.gz XESHEHUTTIMPDG-VQIMIIECSA-N 1 2 451.061 4.333 20 0 JIADLO Cc1nc(C[N@H+]2CCO[C@@H]3CN(C(=S)Nc4c(C)cccc4Cl)CC[C@@H]3C2)cs1 ZINC001200192679 1067826312 /nfs/dbraw/zinc/82/63/12/1067826312.db2.gz XESHEHUTTIMPDG-VQIMIIECSA-N 1 2 451.061 4.333 20 0 JIADLO Cc1c2cc(Br)ccc2oc(=O)c1C(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC001357341101 1067836554 /nfs/dbraw/zinc/83/65/54/1067836554.db2.gz LBDNFPPEJCYDMQ-UHFFFAOYSA-N 1 2 452.308 4.039 20 0 JIADLO CCCN(C(=O)c1ccc(S(=O)(=O)CC2CC2)cc1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001357512370 1067862035 /nfs/dbraw/zinc/86/20/35/1067862035.db2.gz NSHCTERNWMYVNY-XMMPIXPASA-N 1 2 454.636 4.387 20 0 JIADLO CCCN(C(=O)c1ccc(S(=O)(=O)CC2CC2)cc1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001357512370 1067862037 /nfs/dbraw/zinc/86/20/37/1067862037.db2.gz NSHCTERNWMYVNY-XMMPIXPASA-N 1 2 454.636 4.387 20 0 JIADLO COc1ccc(Cl)c2c1CCC[C@@H]2N(C)C(=O)C[N@@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC001300222609 1067893917 /nfs/dbraw/zinc/89/39/17/1067893917.db2.gz PKMIYQZAWOINND-FQEVSTJZSA-N 1 2 458.986 4.260 20 0 JIADLO COc1ccc(Cl)c2c1CCC[C@@H]2N(C)C(=O)C[N@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC001300222609 1067893919 /nfs/dbraw/zinc/89/39/19/1067893919.db2.gz PKMIYQZAWOINND-FQEVSTJZSA-N 1 2 458.986 4.260 20 0 JIADLO COc1ccc(C[NH+]2CCN(c3nnc(C4CCCC4)n3CCC(C)(F)F)CC2)cc1F ZINC001300232093 1067917501 /nfs/dbraw/zinc/91/75/01/1067917501.db2.gz KWASYOQZLQCJME-UHFFFAOYSA-N 1 2 451.537 4.451 20 0 JIADLO COc1ccc(C[NH+]2CCN(c3nnc(CC(C)C)n3CC3(SC)CCC3)CC2)cc1F ZINC001300232213 1067918535 /nfs/dbraw/zinc/91/85/35/1067918535.db2.gz PDVYZSJHKXXNNJ-UHFFFAOYSA-N 1 2 461.651 4.232 20 0 JIADLO C[NH+]1CCN(C(=O)c2ccccc2NC(=O)c2cc3cc(Br)ccc3s2)CC1 ZINC001357840718 1067919567 /nfs/dbraw/zinc/91/95/67/1067919567.db2.gz VISBFJMSHBFCSQ-UHFFFAOYSA-N 1 2 458.381 4.304 20 0 JIADLO CC(C)(C)OC(=O)N1[C@@H]2CCCC[C@@H]2CC[C@H]1C(=O)Nc1cccc(C[NH+]2CCOCC2)c1 ZINC001357927916 1067945125 /nfs/dbraw/zinc/94/51/25/1067945125.db2.gz JXNDKBYSFGDASU-MZYLBHOOSA-N 1 2 457.615 4.416 20 0 JIADLO COc1ccc(F)cc1C[NH+]1CCN(c2nnc(-c3ccccn3)n2CC(C)(C)C(C)C)CC1 ZINC001300245144 1067965901 /nfs/dbraw/zinc/96/59/01/1067965901.db2.gz HMYUNKZRFDDMFC-UHFFFAOYSA-N 1 2 466.605 4.492 20 0 JIADLO COc1ccc(F)cc1C[NH+]1CCN(c2nnc(C(C)(C)C)n2CCSCC(C)C)CC1 ZINC001300245523 1067969082 /nfs/dbraw/zinc/96/90/82/1067969082.db2.gz RMPOQORYRNGRHK-UHFFFAOYSA-N 1 2 463.667 4.435 20 0 JIADLO CCc1ccc(Br)cc1C(=O)N[C@@H](c1ccc(Cl)cc1)[C@H]1C[N@H+](C)CCO1 ZINC001358072656 1068010414 /nfs/dbraw/zinc/01/04/14/1068010414.db2.gz QEMNSKZVZPCRQR-UXHICEINSA-N 1 2 451.792 4.467 20 0 JIADLO CCc1ccc(Br)cc1C(=O)N[C@@H](c1ccc(Cl)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC001358072656 1068010431 /nfs/dbraw/zinc/01/04/31/1068010431.db2.gz QEMNSKZVZPCRQR-UXHICEINSA-N 1 2 451.792 4.467 20 0 JIADLO O=C(C[C@@H]1CCC[C@H](C(F)(F)F)O1)N1CC[NH+](Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC001358124605 1068025996 /nfs/dbraw/zinc/02/59/96/1068025996.db2.gz RABDDFZEJANBFT-DLBZAZTESA-N 1 2 454.411 4.120 20 0 JIADLO Fc1ccc(Cc2noc(C[NH2+]C3(c4cccc(OC(F)(F)F)c4)CCOCC3)n2)cc1 ZINC001473433780 1068158938 /nfs/dbraw/zinc/15/89/38/1068158938.db2.gz YKVUIHDBLIEGRD-UHFFFAOYSA-N 1 2 451.420 4.494 20 0 JIADLO COc1ccc(OCCN(C)c2nnc(CC(C)(C)C)n2C[C@H]2CCCn3cc(C)[nH+]c32)cc1 ZINC001300308690 1068178375 /nfs/dbraw/zinc/17/83/75/1068178375.db2.gz CZNOVUMTWIRBQP-HXUWFJFHSA-N 1 2 466.630 4.473 20 0 JIADLO CC[C@@H](C(=O)NC1CC[NH+](CC(=O)Nc2ccccc2)CC1)c1ccc(Br)cc1 ZINC001353519512 1068258475 /nfs/dbraw/zinc/25/84/75/1068258475.db2.gz XCIHZPBPJNRQDN-OAQYLSRUSA-N 1 2 458.400 4.162 20 0 JIADLO O=C(NCc1cc[nH+]c(N2CCN(c3ccc(F)cc3)CC2)c1)Nc1ccn(Cc2ccccc2)n1 ZINC000521440781 1068332868 /nfs/dbraw/zinc/33/28/68/1068332868.db2.gz IXRYPTNOTOQDTR-UHFFFAOYSA-N 1 2 485.567 4.114 20 0 JIADLO Cc1ccc(NC(=O)NC[C@H]2CCCN(C(=O)c3cccc(CNc4cc[nH+]c(C)n4)c3)C2)cc1 ZINC000622346937 1068360701 /nfs/dbraw/zinc/36/07/01/1068360701.db2.gz VCPKUPFLFQWJIL-JOCHJYFZSA-N 1 2 472.593 4.379 20 0 JIADLO COc1cccc(-c2nnc(N3CCO[C@](C)(C(C)(C)C)C3)n2Cc2ccc(N(C)C)[nH+]c2)c1 ZINC001300394068 1068521171 /nfs/dbraw/zinc/52/11/71/1068521171.db2.gz DFIAPLZBBAZCJV-SANMLTNESA-N 1 2 464.614 4.104 20 0 JIADLO COc1cccc(CNC(=S)NC2CC[NH+](Cc3c(F)cccc3Cl)CC2)c1OC ZINC001200528370 1068827475 /nfs/dbraw/zinc/82/74/75/1068827475.db2.gz MYGDMLNKLFUOPG-UHFFFAOYSA-N 1 2 451.995 4.125 20 0 JIADLO Cc1noc(C)c1C[N@@H+]1CCOCC12CCN(C(=S)Nc1ccc(F)c(Cl)c1)CC2 ZINC001200583017 1068950202 /nfs/dbraw/zinc/95/02/02/1068950202.db2.gz NRKPGDCVSDAFTR-UHFFFAOYSA-N 1 2 452.983 4.148 20 0 JIADLO Cc1noc(C)c1C[N@H+]1CCOCC12CCN(C(=S)Nc1ccc(F)c(Cl)c1)CC2 ZINC001200583017 1068950214 /nfs/dbraw/zinc/95/02/14/1068950214.db2.gz NRKPGDCVSDAFTR-UHFFFAOYSA-N 1 2 452.983 4.148 20 0 JIADLO Cc1ccccc1-c1nnc(N2CCN(c3cccc[nH+]3)CC2)n1CCSCC(F)(F)F ZINC001492569444 1068972376 /nfs/dbraw/zinc/97/23/76/1068972376.db2.gz XKKXAQLLOQSFMT-UHFFFAOYSA-N 1 2 462.545 4.271 20 0 JIADLO COc1ccccc1Cc1nnc(N2CCC(C)=C(Br)C2)n1Cc1c[nH+]ccc1OC ZINC001300553891 1069007333 /nfs/dbraw/zinc/00/73/33/1069007333.db2.gz VXVHJSIDHQFZTB-UHFFFAOYSA-N 1 2 484.398 4.208 20 0 JIADLO COc1cccc([C@@H](C)[NH+]2CCN(C(=O)Nc3nnc(Cc4cccc(F)c4)s3)CC2)c1 ZINC000504155818 1069081189 /nfs/dbraw/zinc/08/11/89/1069081189.db2.gz MXMZXILQVFONOT-MRXNPFEDSA-N 1 2 455.559 4.187 20 0 JIADLO C[C@H](C(=O)Nc1nccc2cc(Br)ccc21)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC001472574555 1069124032 /nfs/dbraw/zinc/12/40/32/1069124032.db2.gz SOJHKSMHFXYVIP-OAHLLOKOSA-N 1 2 457.347 4.286 20 0 JIADLO COc1ccccc1Cn1c(C(C)C)nnc1N(C)C[C@H](c1cccs1)[NH+]1CCOCC1 ZINC001300606401 1069202236 /nfs/dbraw/zinc/20/22/36/1069202236.db2.gz SFDMQUUNKBCDFO-HXUWFJFHSA-N 1 2 455.628 4.030 20 0 JIADLO C[C@@H]1C[N@H+](CCNC(=O)c2ccc(NC(=O)c3cc(Cl)cc(Cl)c3)cc2)[C@@H](C)CO1 ZINC001300610855 1069217224 /nfs/dbraw/zinc/21/72/24/1069217224.db2.gz JJPNPAGRXHABBA-LSDHHAIUSA-N 1 2 450.366 4.085 20 0 JIADLO C[C@@H]1C[N@@H+](CCNC(=O)c2ccc(NC(=O)c3cc(Cl)cc(Cl)c3)cc2)[C@@H](C)CO1 ZINC001300610855 1069217232 /nfs/dbraw/zinc/21/72/32/1069217232.db2.gz JJPNPAGRXHABBA-LSDHHAIUSA-N 1 2 450.366 4.085 20 0 JIADLO FC(F)(c1nc(Cl)cc(Cl)n1)N1CCO[C@H](c2[nH+]cn3c2cccc3Br)C1 ZINC001164417480 718889932 /nfs/dbraw/zinc/88/99/32/718889932.db2.gz KTIHIUUFUJGSPK-JTQLQIEISA-N 1 2 479.112 4.316 20 0 JIADLO C[C@H]1C[N@H+](C)[C@@H](C)CN1C(F)(F)c1cccc(S(=O)(=O)Nc2nc3ccccc3nc2Cl)c1 ZINC001164633353 719237411 /nfs/dbraw/zinc/23/74/11/719237411.db2.gz LEQVMHRDLBPTHE-GJZGRUSLSA-N 1 2 495.983 4.158 20 0 JIADLO C[C@H]1C[N@@H+](C)[C@@H](C)CN1C(F)(F)c1cccc(S(=O)(=O)Nc2nc3ccccc3nc2Cl)c1 ZINC001164633353 719237418 /nfs/dbraw/zinc/23/74/18/719237418.db2.gz LEQVMHRDLBPTHE-GJZGRUSLSA-N 1 2 495.983 4.158 20 0 JIADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1cc(-c3ccncc3)ncn1)CC2 ZINC001164660662 719353871 /nfs/dbraw/zinc/35/38/71/719353871.db2.gz WNSRCUWNTLJGMX-UHFFFAOYSA-N 1 2 451.578 4.233 20 0 JIADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1cc(-c3ccncc3)ncn1)CC2 ZINC001164660662 719353873 /nfs/dbraw/zinc/35/38/73/719353873.db2.gz WNSRCUWNTLJGMX-UHFFFAOYSA-N 1 2 451.578 4.233 20 0 JIADLO NC(=O)c1ccc(-c2c[nH+]c3n2CCC32CCN(C(F)(F)c3cc(C4CC4)nnc3Cl)CC2)cc1 ZINC001164696961 719830442 /nfs/dbraw/zinc/83/04/42/719830442.db2.gz NAKNGEBBDMFHTM-UHFFFAOYSA-N 1 2 498.965 4.457 20 0 JIADLO CC(=O)NC[C@H]1c2[nH+]cn(C(C)C)c2CCN1C(F)(F)c1cc(Cl)nc(-c2ccccc2)n1 ZINC001164720855 720315025 /nfs/dbraw/zinc/31/50/25/720315025.db2.gz BJMTYHUHIHEWEX-SFHVURJKSA-N 1 2 474.943 4.359 20 0 JIADLO CC(=O)NC[C@@H]1c2[nH+]cn(C(C)C)c2CCN1C(F)(F)c1cc(Cl)nc(-c2ccccc2)n1 ZINC001164720854 720315711 /nfs/dbraw/zinc/31/57/11/720315711.db2.gz BJMTYHUHIHEWEX-GOSISDBHSA-N 1 2 474.943 4.359 20 0 JIADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4cc(Cl)nc5sccc54)CC3)C2=O)cs1 ZINC001164823078 720366659 /nfs/dbraw/zinc/36/66/59/720366659.db2.gz AEYIJJPRZPVOTB-UHFFFAOYSA-N 1 2 462.044 4.028 20 0 JIADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4cc(Cl)nc5sccc54)CC3)C2=O)cs1 ZINC001164823078 720366664 /nfs/dbraw/zinc/36/66/64/720366664.db2.gz AEYIJJPRZPVOTB-UHFFFAOYSA-N 1 2 462.044 4.028 20 0 JIADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4nc5ccc(Cl)cc5nc4Cl)CC3)C2=O)cs1 ZINC001164824168 720366838 /nfs/dbraw/zinc/36/68/38/720366838.db2.gz KCKAVAFNUZWVNP-UHFFFAOYSA-N 1 2 491.448 4.015 20 0 JIADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4nc5ccc(Cl)cc5nc4Cl)CC3)C2=O)cs1 ZINC001164824168 720366844 /nfs/dbraw/zinc/36/68/44/720366844.db2.gz KCKAVAFNUZWVNP-UHFFFAOYSA-N 1 2 491.448 4.015 20 0 JIADLO CCOC(=O)c1sc2nc(C[NH+]3CCCCC3)nc(N3CC[C@@H](O)[C@H]3Cc3ccccc3)c2c1C ZINC001164833532 720491810 /nfs/dbraw/zinc/49/18/10/720491810.db2.gz PRKHUUAACAHFJT-NHCUHLMSSA-N 1 2 494.661 4.345 20 0 JIADLO CCOC(=O)c1sc2nc(C[NH+]3CCCCC3)nc(N3CCC[C@]4(CCC(=O)N4)[C@H]3CC)c2c1C ZINC001164843748 720755336 /nfs/dbraw/zinc/75/53/36/720755336.db2.gz AMYIFHVNHZICPF-DWXRJYCRSA-N 1 2 499.681 4.190 20 0 JIADLO Fc1ccc2nc(C(F)(F)N3Cc4c[nH+]cn4C[C@H](COCC4CC4)C3)nc(Cl)c2c1 ZINC001164758104 720975498 /nfs/dbraw/zinc/97/54/98/720975498.db2.gz TUWXNPAAXQXAEG-AWEZNQCLSA-N 1 2 451.880 4.227 20 0 JIADLO F[C@@H](Oc1cccc(-c2ccc(Cl)nn2)c1)N1Cc2c[nH+]cn2C[C@@H](COCC2CC2)C1 ZINC001164755813 720981007 /nfs/dbraw/zinc/98/10/07/720981007.db2.gz BZCWLKPZWSVUEI-GAJHUEQPSA-N 1 2 457.937 4.184 20 0 JIADLO Fc1ccc2nc(C(F)(F)N3Cc4c[nH+]cn4C[C@H](COc4cccnc4)C3)nc(Cl)c2c1 ZINC001164770636 721273486 /nfs/dbraw/zinc/27/34/86/721273486.db2.gz VKSVDRYFAZBQFR-AWEZNQCLSA-N 1 2 474.874 4.274 20 0 JIADLO CSc1cnc(Cl)c(C(F)(F)N2Cc3c[nH+]cn3C[C@H](COc3cccnc3)C2)c1 ZINC001164770037 721275647 /nfs/dbraw/zinc/27/56/47/721275647.db2.gz SVQKPBIUFDIYFW-AWEZNQCLSA-N 1 2 451.930 4.309 20 0 JIADLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(C(F)(F)c1ccc3nc(Cl)nc(Cl)c3c1)C2 ZINC001165010811 721701455 /nfs/dbraw/zinc/70/14/55/721701455.db2.gz MXIMLTCGQZFJJT-UHFFFAOYSA-N 1 2 470.355 4.324 20 0 JIADLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(C(F)(F)c1ccc3nc(Cl)nc(Cl)c3c1)C2 ZINC001165010811 721701457 /nfs/dbraw/zinc/70/14/57/721701457.db2.gz MXIMLTCGQZFJJT-UHFFFAOYSA-N 1 2 470.355 4.324 20 0 JIADLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(C(F)(F)c1cccc(-c3ccc(Cl)nn3)c1)C2 ZINC001165011477 721716581 /nfs/dbraw/zinc/71/65/81/721716581.db2.gz QNHJLAOZMDGODF-UHFFFAOYSA-N 1 2 461.948 4.184 20 0 JIADLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(C(F)(F)c1cccc(-c3ccc(Cl)nn3)c1)C2 ZINC001165011477 721716586 /nfs/dbraw/zinc/71/65/86/721716586.db2.gz QNHJLAOZMDGODF-UHFFFAOYSA-N 1 2 461.948 4.184 20 0 JIADLO Cc1cnc2n1CC[N@@H+](C)C21CCN(C(F)(F)c2cccc3c(Cl)nc(Cl)nc32)CC1 ZINC001164918454 721816114 /nfs/dbraw/zinc/81/61/14/721816114.db2.gz YVBOLTOCGRNKAD-UHFFFAOYSA-N 1 2 467.351 4.428 20 0 JIADLO Cc1cnc2n1CC[N@H+](C)C21CCN(C(F)(F)c2cccc3c(Cl)nc(Cl)nc32)CC1 ZINC001164918454 721816115 /nfs/dbraw/zinc/81/61/15/721816115.db2.gz YVBOLTOCGRNKAD-UHFFFAOYSA-N 1 2 467.351 4.428 20 0 JIADLO COc1ccccc1SCc1nnc(N2C[C@H](C)C[C@@H](C)C2)n1CC(C)(C)[NH+]1CCOCC1 ZINC001300670863 1069404069 /nfs/dbraw/zinc/40/40/69/1069404069.db2.gz YPJQGELZLAUNME-WOJBJXKFSA-N 1 2 473.687 4.172 20 0 JIADLO CC(=O)N(C)C1CCN(c2nnc(-c3ccc(Cl)cc3)n2CCCc2cccc(C)[nH+]2)CC1 ZINC001359351279 1069432507 /nfs/dbraw/zinc/43/25/07/1069432507.db2.gz DYMANRQUVSIXJX-UHFFFAOYSA-N 1 2 467.017 4.382 20 0 JIADLO CC(C)C(C)(C)Cn1c(-c2ccccc2)nnc1N1CC[NH+]([C@@H](C)C(=O)NC2CCCC2)CC1 ZINC001359480470 1069653372 /nfs/dbraw/zinc/65/33/72/1069653372.db2.gz YEDHBFDXRLXCMT-NRFANRHFSA-N 1 2 466.674 4.197 20 0 JIADLO CC(C)(C)c1nnc(N2CCC[C@H](OCC(F)(F)F)C2)n1CCc1cn2ccccc2[nH+]1 ZINC001359509545 1069786933 /nfs/dbraw/zinc/78/69/33/1069786933.db2.gz AJDDXUHMZAOFPK-KRWDZBQOSA-N 1 2 450.509 4.014 20 0 JIADLO CC(C)(C)c1nnc(N2CCC[C@H](C(F)(F)F)C2)n1C[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001359509378 1069787057 /nfs/dbraw/zinc/78/70/57/1069787057.db2.gz WRTGMNNJCQTQSK-VQTJNVASSA-N 1 2 465.564 4.255 20 0 JIADLO CC(C)(C)c1nnc(N2CCC[C@H](C(F)(F)F)C2)n1C[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001359509378 1069787064 /nfs/dbraw/zinc/78/70/64/1069787064.db2.gz WRTGMNNJCQTQSK-VQTJNVASSA-N 1 2 465.564 4.255 20 0 JIADLO CC(C)(C)c1nnc(N2CCO[C@](C)(C(C)(C)C)C2)n1C[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC001359516810 1069803238 /nfs/dbraw/zinc/80/32/38/1069803238.db2.gz IVUDAZJURGYLHH-AMGIVPHBSA-N 1 2 469.674 4.291 20 0 JIADLO CC(C)(C)c1nnc(N2CCO[C@@](C)(C(C)(C)C)C2)n1C[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC001359516809 1069803254 /nfs/dbraw/zinc/80/32/54/1069803254.db2.gz IVUDAZJURGYLHH-AJTFRIOCSA-N 1 2 469.674 4.291 20 0 JIADLO CC(C)(C)Cc1nnc(N2CCN(c3cccc[nH+]3)CC2)n1Cc1c(F)cccc1OC(F)F ZINC001359538672 1069834798 /nfs/dbraw/zinc/83/47/98/1069834798.db2.gz AADYDRNCNWMJNS-UHFFFAOYSA-N 1 2 474.531 4.377 20 0 JIADLO CC(C)(C)Cc1nnc(N2CCO[C@H](C(C)(C)C)C2)n1Cc1cccc(Cn2cc[nH+]c2)c1 ZINC001359542119 1069840380 /nfs/dbraw/zinc/84/03/80/1069840380.db2.gz QNRFEUMFDODALW-QFIPXVFZSA-N 1 2 450.631 4.411 20 0 JIADLO CC(C)(C)Cc1nnc(N2CCO[C@@H](C(C)(C)C)C2)n1Cc1cccc(Cn2cc[nH+]c2)c1 ZINC001359542118 1069840498 /nfs/dbraw/zinc/84/04/98/1069840498.db2.gz QNRFEUMFDODALW-JOCHJYFZSA-N 1 2 450.631 4.411 20 0 JIADLO CC(C)(C)Cc1nnc(N2CC[NH+](CCOc3ccccc3Cl)CC2)n1C[C@@H]1CCSC1 ZINC001359540967 1069838567 /nfs/dbraw/zinc/83/85/67/1069838567.db2.gz MBWMHCARZHZJNC-IBGZPJMESA-N 1 2 478.106 4.474 20 0 JIADLO CC(C)(C)Cc1nnc(N2CC[NH+](CCOc3ccccc3Cl)CC2)n1C[C@@H]1CC=CCO1 ZINC001359541032 1069838578 /nfs/dbraw/zinc/83/85/78/1069838578.db2.gz ODEZFXKSVQBCMD-FQEVSTJZSA-N 1 2 474.049 4.066 20 0 JIADLO CC(C)(C)O[C@@H]1CCCN(c2nnc(C(C)(C)C)n2C[C@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC001359579945 1070000619 /nfs/dbraw/zinc/00/06/19/1070000619.db2.gz XOOSCYPDMNNAIK-DHIUTWEWSA-N 1 2 469.674 4.261 20 0 JIADLO CC(C)(C)O[C@@H]1CCCN(c2nnc(C(C)(C)C)n2C[C@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC001359579945 1070000630 /nfs/dbraw/zinc/00/06/30/1070000630.db2.gz XOOSCYPDMNNAIK-DHIUTWEWSA-N 1 2 469.674 4.261 20 0 JIADLO CC(C)c1nc(CCn2c(-c3ccc(Cl)cc3)nnc2N(C)CC[NH+]2CCOCC2)cs1 ZINC001359672486 1070319658 /nfs/dbraw/zinc/31/96/58/1070319658.db2.gz UDJDNWWZLXTWQO-UHFFFAOYSA-N 1 2 475.062 4.190 20 0 JIADLO CC(C)c1nnc(N2CCC([C@](C)(O)C(F)(F)F)CC2)n1Cc1ccccc1-n1cc[nH+]c1 ZINC001359692025 1070350274 /nfs/dbraw/zinc/35/02/74/1070350274.db2.gz FOLMWZQRMCXARR-QFIPXVFZSA-N 1 2 462.520 4.165 20 0 JIADLO CC(C)c1nnc(N2CCC[C@H](C(=O)Nc3ccc(Cl)cn3)C2)n1CCCNc1cccc[nH+]1 ZINC001359705186 1070371062 /nfs/dbraw/zinc/37/10/62/1070371062.db2.gz ZJWRGMRZHNOREH-SFHVURJKSA-N 1 2 483.020 4.202 20 0 JIADLO COc1ccc(CN(C)c2nnc(-c3ccc(Cl)nc3)n2Cc2ccc(N(C)C)[nH+]c2)cc1 ZINC001315476131 1064326784 /nfs/dbraw/zinc/32/67/84/1064326784.db2.gz TXIXLXUEBSOKFD-UHFFFAOYSA-N 1 2 463.973 4.148 20 0 JIADLO COc1ccc(C[NH+]2CCN(c3nnc(-c4ccc(Cl)nc4)n3C[C@H](C)SC)CC2)cc1F ZINC001315504494 1064414618 /nfs/dbraw/zinc/41/46/18/1064414618.db2.gz GBEFHYVDLLKCMU-INIZCTEOSA-N 1 2 491.036 4.215 20 0 JIADLO COc1ccc(C[NH+]2CCN(c3nnc(C(C)(C)C)n3C[C@@](C)(O)C3CCCCC3)CC2)cc1F ZINC001315504790 1064416517 /nfs/dbraw/zinc/41/65/17/1064416517.db2.gz ISVVFXDJODKQAE-HHHXNRCGSA-N 1 2 487.664 4.377 20 0 JIADLO COc1ccc(F)cc1C[NH+]1CCN(c2nnc(CC3CCCC3)n2CCCSC)CC1 ZINC001315515104 1064461508 /nfs/dbraw/zinc/46/15/08/1064461508.db2.gz GRNMWMGGOMAAKA-UHFFFAOYSA-N 1 2 461.651 4.234 20 0 JIADLO COc1ccc(F)cc1C[NH+]1CCN(c2nnc(C(C)(C)C)n2C[C@@H]2CCCSC2)CC1 ZINC001315515067 1064461526 /nfs/dbraw/zinc/46/15/26/1064461526.db2.gz FKIXVBCDOXJWDA-SFHVURJKSA-N 1 2 461.651 4.189 20 0 JIADLO COc1cccc([C@@H](C)[NH+]2CCN(c3nnc(C(C)(C)C)n3CC[S@@](=O)C(C)(C)C)CC2)c1 ZINC001315546998 1064555605 /nfs/dbraw/zinc/55/56/05/1064555605.db2.gz ZOJMXOROSFDYQY-AONNBLCTSA-N 1 2 475.703 4.015 20 0 JIADLO COc1cccc(CN(C[C@H]2CCCO2)c2nnc(C(C)(C)C)n2Cc2ccc(N(C)C)[nH+]c2)c1 ZINC001315577346 1064636808 /nfs/dbraw/zinc/63/68/08/1064636808.db2.gz JSOIRLXDGODXOV-HSZRJFAPSA-N 1 2 478.641 4.279 20 0 JIADLO COc1cccc(CN(C[C@@H]2CCCO2)c2nnc(C(C)(C)C)n2Cc2ccc(N(C)C)[nH+]c2)c1 ZINC001315577347 1064636931 /nfs/dbraw/zinc/63/69/31/1064636931.db2.gz JSOIRLXDGODXOV-QHCPKHFHSA-N 1 2 478.641 4.279 20 0 JIADLO COc1ccccc1C[C@H](C)N(C)c1nnc([C@@H]2CCCCO2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001315612288 1064733333 /nfs/dbraw/zinc/73/33/33/1064733333.db2.gz GKSHQGSPBROZOL-CVDCTZTESA-N 1 2 464.614 4.105 20 0 JIADLO COc1cc[nH+]cc1Cn1c(-c2ccc(F)cc2Br)nnc1N1CC(C)(C)OC[C@@H]1C ZINC001315670478 1064899065 /nfs/dbraw/zinc/89/90/65/1064899065.db2.gz ZUMYOWWVGQKQKV-AWEZNQCLSA-N 1 2 490.377 4.302 20 0 JIADLO COc1cc[nH+]cc1Cn1c(Cc2csc(C)n2)nnc1N(C)Cc1cc(F)c(F)c(F)c1 ZINC001315671492 1064901343 /nfs/dbraw/zinc/90/13/43/1064901343.db2.gz HHDIQAWGAWSQKX-UHFFFAOYSA-N 1 2 474.512 4.139 20 0 JIADLO COc1cc[nH+]cc1Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@@H](C(C)C)C1 ZINC001315671802 1064902393 /nfs/dbraw/zinc/90/23/93/1064902393.db2.gz KGLQBRGXDHCJNY-WOJBJXKFSA-N 1 2 484.645 4.327 20 0 JIADLO COc1cc[nH+]cc1Cn1c(Cc2ccccn2)nnc1N(C)[C@H](C)c1cc(F)ccc1F ZINC001315672670 1064903484 /nfs/dbraw/zinc/90/34/84/1064903484.db2.gz XJKTVDGLYWRCAA-MRXNPFEDSA-N 1 2 450.493 4.191 20 0 JIADLO COc1cc[nH+]cc1Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)c1ccc(C)cc1 ZINC001315672903 1064904130 /nfs/dbraw/zinc/90/41/30/1064904130.db2.gz UKKZZWHTAUUZOU-OAQYLSRUSA-N 1 2 494.596 4.115 20 0 JIADLO COc1cc[nH+]cc1Cn1c(COc2cc(C)ccc2C(C)C)nnc1N1CCC[C@H](OC)C1 ZINC001315673077 1064904918 /nfs/dbraw/zinc/90/49/18/1064904918.db2.gz UQTKFDOTYAOQLR-NRFANRHFSA-N 1 2 465.598 4.356 20 0 JIADLO COc1cc[nH+]cc1Cn1c(N2CCc3cccc(Br)c3C2)nnc1C(C)(C)C ZINC001315673065 1064905352 /nfs/dbraw/zinc/90/53/52/1064905352.db2.gz UCENGFQPRHAAMG-UHFFFAOYSA-N 1 2 456.388 4.353 20 0 JIADLO COCC(C)(C)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC001315763322 1065078610 /nfs/dbraw/zinc/07/86/10/1065078610.db2.gz DNGULEQQMPQITL-UHFFFAOYSA-N 1 2 471.005 4.001 20 0 JIADLO COCC1(C)CCN(c2nnc(-c3ccc(Cl)nc3)n2CCCNc2cccc[nH+]2)CC1 ZINC001315832006 1065196461 /nfs/dbraw/zinc/19/64/61/1065196461.db2.gz DYVIJCIXMHGBOR-UHFFFAOYSA-N 1 2 455.994 4.144 20 0 JIADLO COCc1cc(Cn2c(CC(C)C)nnc2N2CCN(c3cc(C)[nH+]c(C(C)C)n3)CC2)ccc1F ZINC001315853930 1065255491 /nfs/dbraw/zinc/25/54/91/1065255491.db2.gz PVJKWIVNQKYMPX-UHFFFAOYSA-N 1 2 495.647 4.359 20 0 JIADLO COCC[C@@H]1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@H](c2c(F)cccc2F)[NH+](C)C)C1 ZINC001316000417 1065583396 /nfs/dbraw/zinc/58/33/96/1065583396.db2.gz VWIFLTQSSRYFOW-OXJNMPFZSA-N 1 2 490.986 4.437 20 0 JIADLO COCCN(CC(C)C)c1nnc([C@@H]2CCCCO2)n1Cc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC001316086408 1065738854 /nfs/dbraw/zinc/73/88/54/1065738854.db2.gz FQICPRBCJYIBMQ-QFIPXVFZSA-N 1 2 456.566 4.002 20 0 JIADLO COCCN(CC(C)C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H]1CCCn2cc(C)[nH+]c21 ZINC001316089568 1065745528 /nfs/dbraw/zinc/74/55/28/1065745528.db2.gz WRQWYLUAKVUJRC-YPAWHYETSA-N 1 2 472.678 4.388 20 0 JIADLO CS[C@H](C)Cn1c(Cc2ccccc2C)nnc1N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC001316381621 1066149817 /nfs/dbraw/zinc/14/98/17/1066149817.db2.gz GNAZPIFFMCCWFL-OAQYLSRUSA-N 1 2 479.698 4.477 20 0 JIADLO CS[C@@H](C)Cn1c(COc2ccc(Cl)cc2)nnc1N1CC[NH+](Cc2cnc(C)s2)CC1 ZINC001316386772 1066157860 /nfs/dbraw/zinc/15/78/60/1066157860.db2.gz IJNDCQFWPIYVJB-INIZCTEOSA-N 1 2 493.102 4.349 20 0 JIADLO CCOCCCn1c2nn(C[N@@H+]3CC[C@@H]4CCCC[C@@H]4C3)c(=S)n2c2ccccc2c1=O ZINC001324990955 1066235016 /nfs/dbraw/zinc/23/50/16/1066235016.db2.gz VOUSHYRLLDMGJN-RBUKOAKNSA-N 1 2 455.628 4.076 20 0 JIADLO CCOCCCn1c2nn(C[N@H+]3CC[C@@H]4CCCC[C@@H]4C3)c(=S)n2c2ccccc2c1=O ZINC001324990955 1066235031 /nfs/dbraw/zinc/23/50/31/1066235031.db2.gz VOUSHYRLLDMGJN-RBUKOAKNSA-N 1 2 455.628 4.076 20 0 JIADLO CSC[C@@H]1CCCN1c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CC[N@@H+]1CCOC[C@H]1C ZINC001316435183 1066284685 /nfs/dbraw/zinc/28/46/85/1066284685.db2.gz VCSFPJXJZKDDLP-HBFSDRIKSA-N 1 2 480.078 4.124 20 0 JIADLO CSC[C@@H]1CCCN1c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CC[N@H+]1CCOC[C@H]1C ZINC001316435183 1066284708 /nfs/dbraw/zinc/28/47/08/1066284708.db2.gz VCSFPJXJZKDDLP-HBFSDRIKSA-N 1 2 480.078 4.124 20 0 JIADLO CSCC[C@@H](C)N(C)c1nnc(-c2ccccn2)n1C[C@H](c1c(F)cccc1F)[NH+](C)C ZINC001316445533 1066315305 /nfs/dbraw/zinc/31/53/05/1066315305.db2.gz IGDNDEHCWJDJPT-OXQOHEQNSA-N 1 2 460.598 4.499 20 0 JIADLO CSCC[C@@H](C)N(C)c1nnc([C@H]2CCCCO2)n1Cc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC001316449779 1066326957 /nfs/dbraw/zinc/32/69/57/1066326957.db2.gz VCFWOSLSGXEBCP-DYESRHJHSA-N 1 2 458.607 4.471 20 0 JIADLO CSCC[C@@H](C)N(C)c1nnc([C@@H]2CCCCO2)n1Cc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC001316449781 1066327313 /nfs/dbraw/zinc/32/73/13/1066327313.db2.gz VCFWOSLSGXEBCP-UTKZUKDTSA-N 1 2 458.607 4.471 20 0 JIADLO Cc1cccc(-c2nnc(N3C[C@H](C)OC(C)(C)C3)n2C[C@@H](c2c(F)cccc2F)[NH+](C)C)n1 ZINC001492506992 1066329769 /nfs/dbraw/zinc/32/97/69/1066329769.db2.gz OITJOMLOCSZCGL-UWJYYQICSA-N 1 2 470.568 4.233 20 0 JIADLO Cc1cccc(CCCn2c(-c3cccc(OC(F)F)c3)nnc2N(C)CC(=O)NC(C)(C)C)[nH+]1 ZINC001492525088 1066403709 /nfs/dbraw/zinc/40/37/09/1066403709.db2.gz HYLFGIJRQABQTJ-UHFFFAOYSA-N 1 2 486.567 4.234 20 0 JIADLO Cc1cccc(CCCn2c(-c3cc(Br)cn3C)nnc2N2C[C@@H](C)OC(C)(C)C2)[nH+]1 ZINC001492525808 1066412137 /nfs/dbraw/zinc/41/21/37/1066412137.db2.gz YMFHUUFDIWRUNE-QGZVFWFLSA-N 1 2 487.446 4.386 20 0 JIADLO Cc1cccc(CCCn2c(-c3ccc(OCCC(C)C)cc3)nnc2N2CCS(=O)CC2)[nH+]1 ZINC001492526294 1066415167 /nfs/dbraw/zinc/41/51/67/1066415167.db2.gz UBBOFGHCFPDXGU-UHFFFAOYSA-N 1 2 481.666 4.275 20 0 JIADLO Cc1nc(Cc2nnc(N3CCC[C@@H](NC(=O)C(C)(C)C)C3)n2CCCc2cccc(C)[nH+]2)cs1 ZINC001492526643 1066416105 /nfs/dbraw/zinc/41/61/05/1066416105.db2.gz GUVFIUMQWFNFFN-OAQYLSRUSA-N 1 2 495.697 4.101 20 0 JIADLO Cc1cccc(CCCn2c([C@@H]3COCCN3C(=O)OC(C)(C)C)nnc2N(C)CCC2CC2)[nH+]1 ZINC001492527074 1066419734 /nfs/dbraw/zinc/41/97/34/1066419734.db2.gz VNOJMSBTOSJREE-QFIPXVFZSA-N 1 2 484.645 4.159 20 0 JIADLO Cc1cccc(CCCn2c(N3CC[C@H](CNC(=O)OC(C)(C)C)C3)nnc2C(C)(C)C)[nH+]1 ZINC001492527222 1066419846 /nfs/dbraw/zinc/41/98/46/1066419846.db2.gz CHHBTVJKORIUAS-LJQANCHMSA-N 1 2 456.635 4.263 20 0 JIADLO Cc1cccc(CCCn2c(N3CCN(c4nccc(C(C)C)n4)CC3)nnc2C(C)(C)C)[nH+]1 ZINC001492527673 1066424518 /nfs/dbraw/zinc/42/45/18/1066424518.db2.gz OZJRCMIHVQGEAB-UHFFFAOYSA-N 1 2 462.646 4.152 20 0 JIADLO FC(F)(F)[C@H]1CN(c2nnc(-c3cccc(Cl)c3)n2CCCNc2cccc[nH+]2)CCO1 ZINC001316510418 1066493800 /nfs/dbraw/zinc/49/38/00/1066493800.db2.gz OEGYCYSIUSBUJD-QGZVFWFLSA-N 1 2 466.895 4.263 20 0 JIADLO FC(F)(F)CN1CCN(c2nnc(-c3ccccc3Cl)n2CCCNc2cccc[nH+]2)CC1 ZINC001316514980 1066508345 /nfs/dbraw/zinc/50/83/45/1066508345.db2.gz XQVWJZKHSJCFQO-UHFFFAOYSA-N 1 2 479.938 4.180 20 0 JIADLO O=C(Nc1ccc2nc(C[NH+]3CCCCC3)[nH]c2c1)[C@@H]1CC(=O)N(c2ccccc2Br)C1 ZINC001338430829 1066554442 /nfs/dbraw/zinc/55/44/42/1066554442.db2.gz TYSFAFITGMMEPM-MRXNPFEDSA-N 1 2 496.409 4.303 20 0 JIADLO COc1cc(CNC(=O)N2CC[NH+](Cc3ccc(OC(F)(F)F)cc3)CC2)cc(Cl)c1OC ZINC001341869341 1066590454 /nfs/dbraw/zinc/59/04/54/1066590454.db2.gz TYVCOHSPPGIDKF-UHFFFAOYSA-N 1 2 487.906 4.283 20 0 JIADLO Cc1cccc([C@@H](Cn2c(CC(C)C)nnc2N2CCS[C@H](C(C)C)C2)[NH+]2CCOCC2)c1 ZINC001492481350 1066627269 /nfs/dbraw/zinc/62/72/69/1066627269.db2.gz WHYZIJABOLHFRT-RPWUZVMVSA-N 1 2 471.715 4.436 20 0 JIADLO CC[C@H](c1nnc(SCc2cnc(-c3ccccc3)s2)n1CCN1CCOCC1)[NH+](C)C ZINC001317697216 1066634733 /nfs/dbraw/zinc/63/47/33/1066634733.db2.gz OJNNSORHGUGUPQ-HXUWFJFHSA-N 1 2 472.684 4.039 20 0 JIADLO O=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1)[C@H](Oc1ccc(Cl)cc1)c1ccccc1 ZINC001347776338 1066697590 /nfs/dbraw/zinc/69/75/90/1066697590.db2.gz KCKRGTWXSPBBKF-JWQCQUIFSA-N 1 2 450.966 4.477 20 0 JIADLO O=C(NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)[C@H](Oc1ccc(Cl)cc1)c1ccccc1 ZINC001347776338 1066697603 /nfs/dbraw/zinc/69/76/03/1066697603.db2.gz KCKRGTWXSPBBKF-JWQCQUIFSA-N 1 2 450.966 4.477 20 0 JIADLO O=C(Cc1csc2ccc(Br)cc12)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001349100895 1066807607 /nfs/dbraw/zinc/80/76/07/1066807607.db2.gz BZTZEOQOMGUJDI-LJQANCHMSA-N 1 2 459.409 4.224 20 0 JIADLO O=C(Cc1csc2ccc(Br)cc12)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001349100895 1066807611 /nfs/dbraw/zinc/80/76/11/1066807611.db2.gz BZTZEOQOMGUJDI-LJQANCHMSA-N 1 2 459.409 4.224 20 0 JIADLO O=C(CCc1cc(Cl)ccc1Br)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001349101434 1066807931 /nfs/dbraw/zinc/80/79/31/1066807931.db2.gz GTXMKAGQMWILGN-IBGZPJMESA-N 1 2 451.792 4.052 20 0 JIADLO O=C(CCc1cc(Cl)ccc1Br)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001349101434 1066807934 /nfs/dbraw/zinc/80/79/34/1066807934.db2.gz GTXMKAGQMWILGN-IBGZPJMESA-N 1 2 451.792 4.052 20 0 JIADLO O=C(NC[C@H]1C[N@H+](Cc2ccccc2)CCO1)c1cc2sc(Br)cc2s1 ZINC001349101773 1066808039 /nfs/dbraw/zinc/80/80/39/1066808039.db2.gz JTQTZLYXFFTNGH-AWEZNQCLSA-N 1 2 451.411 4.356 20 0 JIADLO O=C(NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1)c1cc2sc(Br)cc2s1 ZINC001349101773 1066808042 /nfs/dbraw/zinc/80/80/42/1066808042.db2.gz JTQTZLYXFFTNGH-AWEZNQCLSA-N 1 2 451.411 4.356 20 0 JIADLO Cc1cc(N2CCN(C(=O)COC(=O)c3nc(-c4ccccc4)oc3C(C)C)CC2)nc(C(C)C)[nH+]1 ZINC001318001403 1066843414 /nfs/dbraw/zinc/84/34/14/1066843414.db2.gz VMELTQLVUSZEQG-UHFFFAOYSA-N 1 2 491.592 4.192 20 0 JIADLO CC(=O)NCc1ccc(-c2nc(NC(=O)c3cccc(Cn4cc[nH+]c4)c3)sc2C)s1 ZINC001349914050 1066895877 /nfs/dbraw/zinc/89/58/77/1066895877.db2.gz LYOXNRVXSVLLCO-UHFFFAOYSA-N 1 2 451.577 4.313 20 0 JIADLO CCOC(=O)c1c(CC)c(C)sc1NC(=O)C[NH+]1CCC([C@@H]2C(=O)Nc3ccccc32)CC1 ZINC001318188232 1066948196 /nfs/dbraw/zinc/94/81/96/1066948196.db2.gz RUDCMSRJQGNZTQ-NRFANRHFSA-N 1 2 469.607 4.182 20 0 JIADLO O=C1Nc2ccccc2[C@@H]1C1CC[NH+](CN2C(=O)N[C@](Cc3ccccc3)(c3ccccc3)C2=O)CC1 ZINC001318188533 1066948228 /nfs/dbraw/zinc/94/82/28/1066948228.db2.gz UUZSRHSZLRMKCD-FREGXXQWSA-N 1 2 494.595 4.082 20 0 JIADLO O=C(Nc1ccc2nc(C[NH+]3CCCCC3)[nH]c2c1)[C@@H]1CCCCN1C(=O)c1cccs1 ZINC001318229215 1066972949 /nfs/dbraw/zinc/97/29/49/1066972949.db2.gz BEBGFMSTKIELPG-FQEVSTJZSA-N 1 2 451.596 4.244 20 0 JIADLO C[C@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)N[C@H]1CCCc2c1cnn2Cc1ccccc1 ZINC001318258650 1066987284 /nfs/dbraw/zinc/98/72/84/1066987284.db2.gz ALQZPDXVPKNMFU-KCWPFWIISA-N 1 2 487.648 4.241 20 0 JIADLO COc1cccc([C@@H](C)[NH+]2CCN(C(=O)NCc3ccccc3CNC(=O)OC(C)(C)C)CC2)c1 ZINC001318325710 1067018073 /nfs/dbraw/zinc/01/80/73/1067018073.db2.gz ISDZQJPGYXQSCR-HXUWFJFHSA-N 1 2 482.625 4.308 20 0 JIADLO COc1cc[nH+]cc1Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N(C)Cc1nccs1 ZINC001300693175 1067043205 /nfs/dbraw/zinc/04/32/05/1067043205.db2.gz QEXAIWSGGCRGKA-UHFFFAOYSA-N 1 2 480.594 4.286 20 0 JIADLO COc1cc[nH+]cc1Cn1c(-c2ccccc2Cl)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1 ZINC001300693593 1067045239 /nfs/dbraw/zinc/04/52/39/1067045239.db2.gz WGUNISZWINFWQY-GOSISDBHSA-N 1 2 483.016 4.182 20 0 JIADLO COc1cc[nH+]cc1Cn1c(-c2ccc(Cl)cc2Cl)nnc1N(CCCCO)C1CC1 ZINC001300693992 1067046884 /nfs/dbraw/zinc/04/68/84/1067046884.db2.gz MJBLFLFYZPSKMW-UHFFFAOYSA-N 1 2 462.381 4.445 20 0 JIADLO COc1cc[nH+]cc1Cn1c(-c2ccc(Br)cc2Cl)nnc1N(C)C[C@H]1CCOC1 ZINC001300694241 1067047777 /nfs/dbraw/zinc/04/77/77/1067047777.db2.gz PXXSGQYZIWLFLK-CQSZACIVSA-N 1 2 492.805 4.286 20 0 JIADLO COc1cc[nH+]cc1Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N(C)C[C@H]1CCCOC1 ZINC001300694175 1067048028 /nfs/dbraw/zinc/04/80/28/1067048028.db2.gz OPMFLLKTIWYHPL-ZWKOTPCHSA-N 1 2 471.989 4.386 20 0 JIADLO COc1cc[nH+]cc1Cn1c(Cc2ccccn2)nnc1N(C)Cc1cccc(Br)c1 ZINC001300694902 1067050296 /nfs/dbraw/zinc/05/02/96/1067050296.db2.gz HDLGDURMICJZBQ-UHFFFAOYSA-N 1 2 479.382 4.115 20 0 JIADLO COc1cc[nH+]cc1Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(C)Cc1ccoc1C ZINC001300696535 1067054112 /nfs/dbraw/zinc/05/41/12/1067054112.db2.gz DYVRVCXVJFHILE-UHFFFAOYSA-N 1 2 496.612 4.382 20 0 JIADLO COc1cc[nH+]cc1Cn1c(N(Cc2cccc(F)c2)C[C@@H]2CCCO2)nnc1C(C)(C)C ZINC001300701723 1067062648 /nfs/dbraw/zinc/06/26/48/1067062648.db2.gz FFAZLEWYKAZZAK-NRFANRHFSA-N 1 2 453.562 4.352 20 0 JIADLO COc1cc[nH+]cc1Cn1c(COc2ccc(Cl)cc2)nnc1N1CCC(OC(C)C)CC1 ZINC001300701843 1067062835 /nfs/dbraw/zinc/06/28/35/1067062835.db2.gz JQMDOISAYNPFIN-UHFFFAOYSA-N 1 2 471.989 4.356 20 0 JIADLO CC(C)(C)[C@H]1CCc2c(sc(=O)n2C[NH+]2CCC(CN3C(=O)c4ccccc4C3=O)CC2)C1 ZINC001321498217 1067148677 /nfs/dbraw/zinc/14/86/77/1067148677.db2.gz RJZCWLWZLBIQEI-SFHVURJKSA-N 1 2 467.635 4.027 20 0 JIADLO O=C(CC[C@H]1CC1(Cl)Cl)NCc1cc[nH+]c(N2CCN(c3ccc(F)cc3)CC2)c1 ZINC001354829075 1067156352 /nfs/dbraw/zinc/15/63/52/1067156352.db2.gz MTIKXNATMHFCCQ-KRWDZBQOSA-N 1 2 451.373 4.138 20 0 JIADLO C[C@H]1C[NH+](C(C)(C)CNC(=O)c2cc(-c3ccc(Br)cc3)ns2)C[C@H](C)O1 ZINC001351677807 1067164914 /nfs/dbraw/zinc/16/49/14/1067164914.db2.gz UHBWUDPZDGGWKC-KBPBESRZSA-N 1 2 452.418 4.190 20 0 JIADLO O=C(Nc1ccc2nc(C[NH+]3CCCCC3)[nH]c2c1)c1ccc(OCC(F)(F)C(F)F)nc1 ZINC001321580585 1067171434 /nfs/dbraw/zinc/17/14/34/1067171434.db2.gz KBXVKGOHRKHQAU-UHFFFAOYSA-N 1 2 465.451 4.475 20 0 JIADLO Cc1cc([C@@H](C)NC(=O)[C@H](Cc2cn(Cc3ccccc3)c[nH+]2)NC(=O)OC(C)(C)C)c(C)o1 ZINC001321618822 1067176891 /nfs/dbraw/zinc/17/68/91/1067176891.db2.gz NJJXZEIHVYBFJH-JPYJTQIMSA-N 1 2 466.582 4.454 20 0 JIADLO Fc1cc(Br)cc(Br)c1NC(=S)NCC[N@H+]1CCC[C@@H](F)C1 ZINC001200808713 1067246787 /nfs/dbraw/zinc/24/67/87/1067246787.db2.gz OAOUFISZCKCBEY-SNVBAGLBSA-N 1 2 457.182 4.071 20 0 JIADLO Fc1cc(Br)cc(Br)c1NC(=S)NCC[N@@H+]1CCC[C@@H](F)C1 ZINC001200808713 1067246797 /nfs/dbraw/zinc/24/67/97/1067246797.db2.gz OAOUFISZCKCBEY-SNVBAGLBSA-N 1 2 457.182 4.071 20 0 JIADLO COc1ccc(-c2nnc(N(C)CC[NH+]3CCOCC3)n2CC(C)(C)C(C)C)cc1Br ZINC001300012814 1067368222 /nfs/dbraw/zinc/36/82/22/1067368222.db2.gz GTRPOZDOUMANMK-UHFFFAOYSA-N 1 2 494.478 4.167 20 0 JIADLO O=C(NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1)Nc1ccn(CCc2ccncc2)n1 ZINC001200861138 1067368537 /nfs/dbraw/zinc/36/85/37/1067368537.db2.gz AWSGRQXTIZQNFB-HXUWFJFHSA-N 1 2 456.953 4.272 20 0 JIADLO O=C(Nc1ccccc1OCCn1cc[nH+]c1)c1cn(Cc2ccc(Cl)cc2Cl)nn1 ZINC001355218316 1067390546 /nfs/dbraw/zinc/39/05/46/1067390546.db2.gz CZFASCLEEJYOHE-UHFFFAOYSA-N 1 2 457.321 4.161 20 0 JIADLO C[C@@H](C(=O)N1CC[NH+](Cc2ccc(-c3cccc(Br)c3)s2)CC1)n1cccn1 ZINC001352482854 1067435370 /nfs/dbraw/zinc/43/53/70/1067435370.db2.gz QKNHJLWRZBYLFF-INIZCTEOSA-N 1 2 459.413 4.280 20 0 JIADLO Cc1ccc(Nc2nc(N)nc(C[N@@H+](C)CCCc3cc(-c4ccc(F)cc4)n(C)n3)n2)cc1 ZINC000505783430 1067454627 /nfs/dbraw/zinc/45/46/27/1067454627.db2.gz MGBLIUCBJODAPN-UHFFFAOYSA-N 1 2 460.561 4.110 20 0 JIADLO Cc1ccc(Nc2nc(N)nc(C[N@H+](C)CCCc3cc(-c4ccc(F)cc4)n(C)n3)n2)cc1 ZINC000505783430 1067454647 /nfs/dbraw/zinc/45/46/47/1067454647.db2.gz MGBLIUCBJODAPN-UHFFFAOYSA-N 1 2 460.561 4.110 20 0 JIADLO O=C(Cc1ccc(F)c(Cl)c1)NCc1cc[nH+]c(N2CCN(c3ccc(F)cc3)CC2)c1 ZINC001355754779 1067574536 /nfs/dbraw/zinc/57/45/36/1067574536.db2.gz JTFBJYFUARONLF-UHFFFAOYSA-N 1 2 456.924 4.199 20 0 JIADLO COc1ccc(-c2nnc(N3CCOC[C@@H]3C)n2CCCc2cccc(C)[nH+]2)cc1Br ZINC001300083024 1067621516 /nfs/dbraw/zinc/62/15/16/1067621516.db2.gz HBMKDMRMDQEWFW-KRWDZBQOSA-N 1 2 486.414 4.278 20 0 JIADLO O=C(Nc1cccc(C[NH+]2CCOCC2)c1)[C@H](c1ccc(Br)cc1)N1CCCC1 ZINC001356159267 1067676522 /nfs/dbraw/zinc/67/65/22/1067676522.db2.gz VHICMMTYWCHALH-QFIPXVFZSA-N 1 2 458.400 4.057 20 0 JIADLO C[NH+]1CCN(C(=O)c2ccccc2NC(=O)c2cc3ccc(Br)cc3s2)CC1 ZINC001352817602 1067740809 /nfs/dbraw/zinc/74/08/09/1067740809.db2.gz DWJTZMVHEFOUAF-UHFFFAOYSA-N 1 2 458.381 4.304 20 0 JIADLO C[NH+]1CCN(C(=O)c2ccccc2NC(=O)c2ccc3scc(Br)c3c2)CC1 ZINC001352818853 1067741708 /nfs/dbraw/zinc/74/17/08/1067741708.db2.gz RVSURLWFGTUBSH-UHFFFAOYSA-N 1 2 458.381 4.304 20 0 JIADLO COc1ccc(OCC(F)(F)C(F)F)c(C(=O)Nc2cccc(C[NH+]3CCOCC3)c2)c1 ZINC001357117391 1067806254 /nfs/dbraw/zinc/80/62/54/1067806254.db2.gz IAOCZVRAXHESLC-UHFFFAOYSA-N 1 2 456.436 4.059 20 0 JIADLO Cc1cc(-c2noc([C@@H](C)NC(=O)Nc3ccccc3OCCn3cc[nH+]c3)n2)ccc1F ZINC001200174533 1067808980 /nfs/dbraw/zinc/80/89/80/1067808980.db2.gz NACXFIJBDOSPTH-MRXNPFEDSA-N 1 2 450.474 4.342 20 0 JIADLO COc1cccc(OCC[NH+]2CCN(C(=O)Cc3csc([C@H]4CC[C@H](C)CC4)n3)CC2)c1 ZINC001357268025 1067828335 /nfs/dbraw/zinc/82/83/35/1067828335.db2.gz IYGQVBSTRSRVLF-MXVIHJGJSA-N 1 2 457.640 4.211 20 0 JIADLO CC(C)N1C(=O)C[C@H](C(=O)NCc2cc[nH+]c(N3CCCC3)c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC001357611459 1067877134 /nfs/dbraw/zinc/87/71/34/1067877134.db2.gz MAFUIRIYKZBSAN-FDDCHVKYSA-N 1 2 458.965 4.089 20 0 JIADLO COc1cccc([C@@H](O)C2CCN(C(=O)Nc3cccc([C@H](C)[NH+]4CCOCC4)c3)CC2)c1 ZINC001200233140 1067877419 /nfs/dbraw/zinc/87/74/19/1067877419.db2.gz NKFJAELQRJXWFZ-DFBJGRDBSA-N 1 2 453.583 4.066 20 0 JIADLO CC(C)N1C(=O)C[C@H](C(=O)NCc2cc[nH+]c(N3CCCC3)c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001357611468 1067877396 /nfs/dbraw/zinc/87/73/96/1067877396.db2.gz MAFUIRIYKZBSAN-MBSDFSHPSA-N 1 2 458.965 4.089 20 0 JIADLO O=C(Nc1cc(Br)c[nH]c1=O)[C@@H](c1cccc(Br)c1)[NH+]1CCCC1 ZINC001357744089 1067893696 /nfs/dbraw/zinc/89/36/96/1067893696.db2.gz NAAAGUJWBSRBCL-OAHLLOKOSA-N 1 2 455.150 4.088 20 0 JIADLO COc1ccc(C[NH+]2CCN(c3nnc(-c4ccc(C)o4)n3CCOC(C)(C)C)CC2)cc1F ZINC001300230939 1067911661 /nfs/dbraw/zinc/91/16/61/1067911661.db2.gz OJFATKOLFARQOP-UHFFFAOYSA-N 1 2 471.577 4.132 20 0 JIADLO Cn1cc[nH+]c1CCNC(=O)CSc1nc2cc(C(F)(F)F)ccc2n1Cc1ccccc1 ZINC001353239221 1067944417 /nfs/dbraw/zinc/94/44/17/1067944417.db2.gz FXMHAPNUSJUKSM-UHFFFAOYSA-N 1 2 473.524 4.288 20 0 JIADLO COc1ccc(F)cc1C[NH+]1CCN(c2nnc(-c3cccnc3)n2CCCC(F)(F)F)CC1 ZINC001300245724 1067969520 /nfs/dbraw/zinc/96/95/20/1067969520.db2.gz YFLFSBBBWLUSPF-UHFFFAOYSA-N 1 2 478.494 4.153 20 0 JIADLO COc1ccc(F)cc1C[NH+]1CCN(c2nnc(-c3cccc(C)n3)n2CCCCSC)CC1 ZINC001300245695 1067969932 /nfs/dbraw/zinc/96/99/32/1067969932.db2.gz XLEXICZPKCSRCH-UHFFFAOYSA-N 1 2 484.645 4.262 20 0 JIADLO COc1ccc(F)cc1C[NH+]1CCN(c2nnc(-c3ccc(C)o3)n2CCCOC(C)C)CC1 ZINC001300245753 1067970714 /nfs/dbraw/zinc/97/07/14/1067970714.db2.gz ZGNRMKVSCMRFIS-UHFFFAOYSA-N 1 2 471.577 4.132 20 0 JIADLO Cc1cc(CCC(=O)N(Cc2ccccc2)[C@H](C)C[NH+]2CCOCC2)ccc1Br ZINC001358071399 1068008441 /nfs/dbraw/zinc/00/84/41/1068008441.db2.gz AFNHWENJQMDCDB-HXUWFJFHSA-N 1 2 459.428 4.440 20 0 JIADLO CCCN(CC)C(=O)c1ccc(C(=O)N[C@H](c2ccc(Cl)cc2)[C@H]2C[N@H+](C)CCO2)cc1 ZINC001358072414 1068009861 /nfs/dbraw/zinc/00/98/61/1068009861.db2.gz OGZSDMVCJBLTIQ-DHIUTWEWSA-N 1 2 458.002 4.014 20 0 JIADLO CCCN(CC)C(=O)c1ccc(C(=O)N[C@H](c2ccc(Cl)cc2)[C@H]2C[N@@H+](C)CCO2)cc1 ZINC001358072414 1068009879 /nfs/dbraw/zinc/00/98/79/1068009879.db2.gz OGZSDMVCJBLTIQ-DHIUTWEWSA-N 1 2 458.002 4.014 20 0 JIADLO COc1ccc(OCCN(C)c2nnc(CC(C)(C)C)n2C[C@@H]2CCCn3cc(C)[nH+]c32)cc1 ZINC001300308687 1068179003 /nfs/dbraw/zinc/17/90/03/1068179003.db2.gz CZNOVUMTWIRBQP-FQEVSTJZSA-N 1 2 466.630 4.473 20 0 JIADLO CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2cccc3[nH+]ccn32)c1 ZINC001353493800 1068208652 /nfs/dbraw/zinc/20/86/52/1068208652.db2.gz AISJLBCVYBOISH-UHFFFAOYSA-N 1 2 454.939 4.455 20 0 JIADLO CSc1ccc([C@H](CNC(=O)CCc2cnn(C)c2C)[N@@H+]2CCc3sccc3C2)cc1 ZINC001353920440 1068755345 /nfs/dbraw/zinc/75/53/45/1068755345.db2.gz YSEGLKVXYYLTIM-QFIPXVFZSA-N 1 2 454.665 4.360 20 0 JIADLO CSc1ccc([C@H](CNC(=O)CCc2cnn(C)c2C)[N@H+]2CCc3sccc3C2)cc1 ZINC001353920440 1068755361 /nfs/dbraw/zinc/75/53/61/1068755361.db2.gz YSEGLKVXYYLTIM-QFIPXVFZSA-N 1 2 454.665 4.360 20 0 JIADLO Cc1ccccc1-c1nnc(N2CCc3c(cc[nH+]c3N(C)C)C2)n1C[C@@H](C)NC(=O)OC(C)(C)C ZINC001492565702 1068802725 /nfs/dbraw/zinc/80/27/25/1068802725.db2.gz KOMDTEJDNXUWCX-LJQANCHMSA-N 1 2 491.640 4.190 20 0 JIADLO CCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)Cn1c(C)[nH+]c2cc(F)c(F)cc21 ZINC001354033197 1068850785 /nfs/dbraw/zinc/85/07/85/1068850785.db2.gz JBBSJWDBQNXUOZ-UHFFFAOYSA-N 1 2 455.292 4.417 20 0 JIADLO CCC(CC)(C(=O)OC(C)(C)C)C(=O)N1CC[NH+](Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC001354044265 1068860830 /nfs/dbraw/zinc/86/08/30/1068860830.db2.gz NMPINNVPVWAYQM-UHFFFAOYSA-N 1 2 458.521 4.378 20 0 JIADLO Cc1ccccc1Cc1nnc(N2CCN(c3cccc[nH+]3)CC2)n1CCSCC(F)(F)F ZINC001492586240 1069000903 /nfs/dbraw/zinc/00/09/03/1069000903.db2.gz AECFBMDTNKMIMB-UHFFFAOYSA-N 1 2 476.572 4.194 20 0 JIADLO C[C@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)Nc1nnc(Cc2cccc(F)c2)s1 ZINC000504154142 1069078340 /nfs/dbraw/zinc/07/83/40/1069078340.db2.gz USHWXQBGDCAIQQ-GOSISDBHSA-N 1 2 469.586 4.023 20 0 JIADLO Cc1nc(O[C@H](C)C(F)(F)F)ccc1C(=O)NC1CC[NH+](c2ccc(N(C)C)cc2)CC1 ZINC001354414284 1069199260 /nfs/dbraw/zinc/19/92/60/1069199260.db2.gz LKNCPFKHJJMRPU-MRXNPFEDSA-N 1 2 450.505 4.184 20 0 JIADLO Cc1nc(C[N@@H+]2CCOC[C@]3(CCCN(C(=S)Nc4ccc(F)c(F)c4)C3)C2)cs1 ZINC001200692954 1069304123 /nfs/dbraw/zinc/30/41/23/1069304123.db2.gz QOZQKAGTWZCZPQ-OAQYLSRUSA-N 1 2 452.596 4.041 20 0 JIADLO Cc1nc(C[N@H+]2CCOC[C@]3(CCCN(C(=S)Nc4ccc(F)c(F)c4)C3)C2)cs1 ZINC001200692954 1069304140 /nfs/dbraw/zinc/30/41/40/1069304140.db2.gz QOZQKAGTWZCZPQ-OAQYLSRUSA-N 1 2 452.596 4.041 20 0 JIADLO CCOC(=O)c1sc2nc(C[NH+]3CCCCC3)nc(N3CC[C@@H]4CCCO[C@H]4C3)c2c1C ZINC001164421513 718903020 /nfs/dbraw/zinc/90/30/20/718903020.db2.gz STSYYBJZSDTRJM-ROUUACIJSA-N 1 2 458.628 4.168 20 0 JIADLO CC(C)c1nccc([C@@H]2C[C@H]3CCN(c4ncnc5c4C[N@H+](Cc4ccccc4)CC5)C[C@H]3O2)n1 ZINC001164639776 719260286 /nfs/dbraw/zinc/26/02/86/719260286.db2.gz RKLUWTZSCUWTDK-QGUKFAFCSA-N 1 2 470.621 4.305 20 0 JIADLO CC(C)c1nccc([C@@H]2C[C@H]3CCN(c4ncnc5c4C[N@@H+](Cc4ccccc4)CC5)C[C@H]3O2)n1 ZINC001164639776 719260291 /nfs/dbraw/zinc/26/02/91/719260291.db2.gz RKLUWTZSCUWTDK-QGUKFAFCSA-N 1 2 470.621 4.305 20 0 JIADLO CCOC(=O)c1cc(Cl)nnc1N1CCC2(CC1)c1ncc(-c3ccccc3)n1CC[N@H+]2CC ZINC001164663120 719347728 /nfs/dbraw/zinc/34/77/28/719347728.db2.gz DSDMMTQFJGFSQP-UHFFFAOYSA-N 1 2 481.000 4.001 20 0 JIADLO CCOC(=O)c1cc(Cl)nnc1N1CCC2(CC1)c1ncc(-c3ccccc3)n1CC[N@@H+]2CC ZINC001164663120 719347734 /nfs/dbraw/zinc/34/77/34/719347734.db2.gz DSDMMTQFJGFSQP-UHFFFAOYSA-N 1 2 481.000 4.001 20 0 JIADLO COc1cccc(Oc2cncc(N3CCC4(CC3)COCC[N@@H+]4Cc3ccc(F)cc3)n2)c1 ZINC001164670570 719517364 /nfs/dbraw/zinc/51/73/64/719517364.db2.gz DRBVUQQFKGHGNK-UHFFFAOYSA-N 1 2 464.541 4.288 20 0 JIADLO COc1cccc(Oc2cncc(N3CCC4(CC3)COCC[N@H+]4Cc3ccc(F)cc3)n2)c1 ZINC001164670570 719517371 /nfs/dbraw/zinc/51/73/71/719517371.db2.gz DRBVUQQFKGHGNK-UHFFFAOYSA-N 1 2 464.541 4.288 20 0 JIADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nc(-c2ccccc2)cc(-c2ccccc2)n1 ZINC001164706562 719847569 /nfs/dbraw/zinc/84/75/69/719847569.db2.gz XREQMKMGCYGAOQ-FIPFOOKPSA-N 1 2 472.589 4.043 20 0 JIADLO CC(=O)NC[C@H]1c2[nH+]cn(C(C)C)c2CCN1C(F)(F)Oc1ccc2nc(Cl)c(Cl)nc2c1 ZINC001164724954 720313672 /nfs/dbraw/zinc/31/36/72/720313672.db2.gz TVHUPABRZOXBFQ-KRWDZBQOSA-N 1 2 499.349 4.379 20 0 JIADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4cc(C)c5ccc(Cl)cc5n4)CC3)C2=O)cs1 ZINC001164821142 720374387 /nfs/dbraw/zinc/37/43/87/720374387.db2.gz XJDQLAQNHFKEDR-UHFFFAOYSA-N 1 2 470.042 4.275 20 0 JIADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4cc(C)c5ccc(Cl)cc5n4)CC3)C2=O)cs1 ZINC001164821142 720374393 /nfs/dbraw/zinc/37/43/93/720374393.db2.gz XJDQLAQNHFKEDR-UHFFFAOYSA-N 1 2 470.042 4.275 20 0 JIADLO CCOC(=O)c1sc2nc(C[NH+]3CCCCC3)nc(N3CCC[C@@]4(CCC(=O)N4)[C@@H]3CC)c2c1C ZINC001164843753 720755402 /nfs/dbraw/zinc/75/54/02/720755402.db2.gz AMYIFHVNHZICPF-HFJWLAOPSA-N 1 2 499.681 4.190 20 0 JIADLO F[C@H](Oc1cccc(-c2ccc(Cl)nn2)c1)N1Cc2c[nH+]cn2C[C@@H](COCC2CC2)C1 ZINC001164755815 720979941 /nfs/dbraw/zinc/97/99/41/720979941.db2.gz BZCWLKPZWSVUEI-SBUREZEXSA-N 1 2 457.937 4.184 20 0 JIADLO FC(F)(c1nc(Cl)c2ccccc2n1)N1Cc2c[nH+]cn2C[C@H](COc2cccnc2)C1 ZINC001164766991 721272373 /nfs/dbraw/zinc/27/23/73/721272373.db2.gz PUXIRFWRSQGOIL-HNNXBMFYSA-N 1 2 456.884 4.135 20 0 JIADLO Clc1ccc(OC(Cl)(Cl)N2Cc3c[nH+]cn3C[C@@H](COc3cccnc3)C2)cn1 ZINC001164768106 721276217 /nfs/dbraw/zinc/27/62/17/721276217.db2.gz JVLUFEJDCXOQKR-CQSZACIVSA-N 1 2 454.745 4.005 20 0 JIADLO O=C(c1cccnc1N1C[C@H]2CCC[C@@]2(COc2ccccn2)C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC001164794509 721506441 /nfs/dbraw/zinc/50/64/41/721506441.db2.gz ADXANJSRPXUXFW-RNAHPLFWSA-N 1 2 497.643 4.120 20 0 JIADLO Cc1nc(N2CCCn3c(C[N@@H+](C)C(C)C)nnc3C2)nc(C)c1Cc1ccc(Cl)cc1 ZINC001165011045 721719008 /nfs/dbraw/zinc/71/90/08/721719008.db2.gz MTSQIBNMRSMSQS-UHFFFAOYSA-N 1 2 454.022 4.180 20 0 JIADLO Cc1nc(N2CCCn3c(C[N@H+](C)C(C)C)nnc3C2)nc(C)c1Cc1ccc(Cl)cc1 ZINC001165011045 721719018 /nfs/dbraw/zinc/71/90/18/721719018.db2.gz MTSQIBNMRSMSQS-UHFFFAOYSA-N 1 2 454.022 4.180 20 0 JIADLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(c1cc(Cl)nc(-c3ccc(F)c(Cl)c3)n1)C2 ZINC001165010531 721719752 /nfs/dbraw/zinc/71/97/52/721719752.db2.gz IMHJXEPMPCFNBB-UHFFFAOYSA-N 1 2 464.376 4.432 20 0 JIADLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(c1cc(Cl)nc(-c3ccc(F)c(Cl)c3)n1)C2 ZINC001165010531 721719757 /nfs/dbraw/zinc/71/97/57/721719757.db2.gz IMHJXEPMPCFNBB-UHFFFAOYSA-N 1 2 464.376 4.432 20 0 JIADLO Cc1cnc2n1CC[N@@H+](C)C21CCN(C(F)(F)c2cc(Cl)nc(-c3ccccc3)n2)CC1 ZINC001164918840 721817009 /nfs/dbraw/zinc/81/70/09/721817009.db2.gz VPUCICADQVHESL-UHFFFAOYSA-N 1 2 458.944 4.288 20 0 JIADLO Cc1cnc2n1CC[N@H+](C)C21CCN(C(F)(F)c2cc(Cl)nc(-c3ccccc3)n2)CC1 ZINC001164918840 721817010 /nfs/dbraw/zinc/81/70/10/721817010.db2.gz VPUCICADQVHESL-UHFFFAOYSA-N 1 2 458.944 4.288 20 0 JIADLO O=C1NCC[N@@H+](Cc2ccccc2)C12CCN(c1cnc(Cl)nc1Oc1cccc(F)c1)CC2 ZINC001164946396 721981248 /nfs/dbraw/zinc/98/12/48/721981248.db2.gz DWWTZADFFKXHSY-UHFFFAOYSA-N 1 2 481.959 4.032 20 0 JIADLO O=C1NCC[N@H+](Cc2ccccc2)C12CCN(c1cnc(Cl)nc1Oc1cccc(F)c1)CC2 ZINC001164946396 721981249 /nfs/dbraw/zinc/98/12/49/721981249.db2.gz DWWTZADFFKXHSY-UHFFFAOYSA-N 1 2 481.959 4.032 20 0 JIADLO CC(=O)N1CC2(CCN(c3ncnc4c3C[N@H+](Cc3ccccc3)CC4)CC2)c2cc(C)ccc21 ZINC001164989314 722189527 /nfs/dbraw/zinc/18/95/27/722189527.db2.gz BQLMWYZNQBDBMG-UHFFFAOYSA-N 1 2 467.617 4.248 20 0 JIADLO CC(=O)N1CC2(CCN(c3ncnc4c3C[N@@H+](Cc3ccccc3)CC4)CC2)c2cc(C)ccc21 ZINC001164989314 722189529 /nfs/dbraw/zinc/18/95/29/722189529.db2.gz BQLMWYZNQBDBMG-UHFFFAOYSA-N 1 2 467.617 4.248 20 0 JIADLO COc1ccccc1SCc1nnc(N2CCCC[C@@H](C)C2)n1CC[N@@H+]1CCOCC1(C)C ZINC001300678060 1069434654 /nfs/dbraw/zinc/43/46/54/1069434654.db2.gz BIYFQOGQOPEOKX-HXUWFJFHSA-N 1 2 473.687 4.316 20 0 JIADLO COc1ccccc1SCc1nnc(N2CCCC[C@@H](C)C2)n1CC[N@H+]1CCOCC1(C)C ZINC001300678060 1069434665 /nfs/dbraw/zinc/43/46/65/1069434665.db2.gz BIYFQOGQOPEOKX-HXUWFJFHSA-N 1 2 473.687 4.316 20 0 JIADLO CC(=O)NC1CCC(N(C)c2nnc(CCc3ccccc3)n2CCCc2cccc(C)[nH+]2)CC1 ZINC001359414231 1069537190 /nfs/dbraw/zinc/53/71/90/1069537190.db2.gz CVMLOQCTKXMZCX-UHFFFAOYSA-N 1 2 474.653 4.283 20 0 JIADLO CC(C)(C)c1ccc(OCc2nnc(N3CCCOCC3)n2CCCNc2cccc[nH+]2)cc1 ZINC001359497759 1069739727 /nfs/dbraw/zinc/73/97/27/1069739727.db2.gz CIAYCOIFGRUHET-UHFFFAOYSA-N 1 2 464.614 4.279 20 0 JIADLO CC(C)(C)c1nnc(N2CCC=C(Br)C2)n1Cc1cccc(Cn2cc[nH+]c2)c1 ZINC001359508992 1069785056 /nfs/dbraw/zinc/78/50/56/1069785056.db2.gz NCIFCEVSLBOICS-UHFFFAOYSA-N 1 2 455.404 4.358 20 0 JIADLO CC(C)(C)c1nnc(N2CCC[C@@H](OCC(F)(F)F)C2)n1CCc1cn2ccccc2[nH+]1 ZINC001359509546 1069787029 /nfs/dbraw/zinc/78/70/29/1069787029.db2.gz AJDDXUHMZAOFPK-QGZVFWFLSA-N 1 2 450.509 4.014 20 0 JIADLO CC(C)(C)c1nnc(N2CCN(c3cccc[nH+]3)CC2)n1Cc1cccc(COCC(F)(F)F)c1 ZINC001359513832 1069799348 /nfs/dbraw/zinc/79/93/48/1069799348.db2.gz KHYBBJLWXFGBSJ-UHFFFAOYSA-N 1 2 488.558 4.424 20 0 JIADLO CC(C)(C)c1nnc(N2CC[NH+](Cc3cccc(Cl)c3)CC2)n1CCNC(=O)c1cccs1 ZINC001359515561 1069802110 /nfs/dbraw/zinc/80/21/10/1069802110.db2.gz ZZFJNXBTUZELFE-UHFFFAOYSA-N 1 2 487.073 4.043 20 0 JIADLO CC(C)(C)Cc1nnc(N2CCCN(c3ncccc3F)CC2)n1CCCNc1cccc[nH+]1 ZINC001359537123 1069831504 /nfs/dbraw/zinc/83/15/04/1069831504.db2.gz LMUPNQOPBWYLTE-UHFFFAOYSA-N 1 2 466.609 4.015 20 0 JIADLO CC(C)(C)O[C@H]1CCCN(c2nnc(C(C)(C)C)n2C[C@@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC001359579946 1070000734 /nfs/dbraw/zinc/00/07/34/1070000734.db2.gz XOOSCYPDMNNAIK-GOTSBHOMSA-N 1 2 469.674 4.261 20 0 JIADLO CC(C)(C)O[C@H]1CCCN(c2nnc(C(C)(C)C)n2C[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC001359579946 1070000759 /nfs/dbraw/zinc/00/07/59/1070000759.db2.gz XOOSCYPDMNNAIK-GOTSBHOMSA-N 1 2 469.674 4.261 20 0 JIADLO CC(C)=CCCn1c(COc2ccc(C)c(C)c2)nnc1N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC001359612976 1070077128 /nfs/dbraw/zinc/07/71/28/1070077128.db2.gz JBRUEMMAHLGCDU-UHFFFAOYSA-N 1 2 461.614 4.255 20 0 JIADLO COc1ccc(F)cc1C[NH+]1CCN(c2nnc(C(C)(C)C)n2CCC[C@H]2CCCCO2)CC1 ZINC001315515216 1064461303 /nfs/dbraw/zinc/46/13/03/1064461303.db2.gz HXCOIDXOKWHTAG-JOCHJYFZSA-N 1 2 473.637 4.395 20 0 JIADLO COc1ccc(F)cc1C[NH+]1CCN(c2nnc(CC(C)C)n2C[C@@H](OC)C(C)(C)C)CC1 ZINC001315515704 1064463457 /nfs/dbraw/zinc/46/34/57/1064463457.db2.gz QXTPDWYKMBRYKH-JOCHJYFZSA-N 1 2 461.626 4.008 20 0 JIADLO COc1ccc(OCc2nnc(N3CCO[C@H](C(C)(C)C)C3)n2CCCNc2cccc[nH+]2)cc1 ZINC001315538421 1064532505 /nfs/dbraw/zinc/53/25/05/1064532505.db2.gz UKWOEJSKCBELAI-QFIPXVFZSA-N 1 2 480.613 4.014 20 0 JIADLO COc1ccccc1Cc1nnc(N(C)Cc2ccc(Br)o2)n1Cc1c[nH+]ccc1OC ZINC001315616336 1064743468 /nfs/dbraw/zinc/74/34/68/1064743468.db2.gz USOHZXHGSHLIJM-UHFFFAOYSA-N 1 2 498.381 4.321 20 0 JIADLO COc1ccccc1CN(C)c1nnc(-c2ccc(Cl)nc2)n1Cc1c[nH+]ccc1OC ZINC001315637278 1064795529 /nfs/dbraw/zinc/79/55/29/1064795529.db2.gz IHQKYJRYVPXQJI-UHFFFAOYSA-N 1 2 450.930 4.090 20 0 JIADLO COc1cc[nH+]cc1Cn1c(-c2ccc(C)c(Br)c2)nnc1N1CC[C@@H](C)[C@@H](OC)C1 ZINC001315669442 1064896750 /nfs/dbraw/zinc/89/67/50/1064896750.db2.gz KZUDGJMXWFJVMX-IERDGZPVSA-N 1 2 486.414 4.329 20 0 JIADLO COc1cc[nH+]cc1Cn1c(-c2ccc(OCCC(C)C)cc2)nnc1N1CCCO[C@@H](C)C1 ZINC001315669854 1064897987 /nfs/dbraw/zinc/89/79/87/1064897987.db2.gz OWVQNBOIIBLHKE-FQEVSTJZSA-N 1 2 465.598 4.437 20 0 JIADLO COc1cc[nH+]cc1Cn1c([C@@H]2CCCOC2)nnc1N(C)Cc1cccc(Br)c1 ZINC001315672915 1064904257 /nfs/dbraw/zinc/90/42/57/1064904257.db2.gz UVAFDKZVAHETNP-QGZVFWFLSA-N 1 2 472.387 4.023 20 0 JIADLO CO[C@H]1CN(c2nnc(-c3ccc(Cl)cc3F)n2Cc2ccc(N(C)C)[nH+]c2)CC1(C)C ZINC001315718011 1065010840 /nfs/dbraw/zinc/01/08/40/1065010840.db2.gz QSGADRXEXXQSOM-IBGZPJMESA-N 1 2 458.969 4.108 20 0 JIADLO COCC(C)(C)CCCn1c(-c2ccc(Cl)nc2)nnc1N1CCc2c(cc[nH+]c2N(C)C)C1 ZINC001315757359 1065061118 /nfs/dbraw/zinc/06/11/18/1065061118.db2.gz CDHCYRDFQLOBBS-UHFFFAOYSA-N 1 2 484.048 4.470 20 0 JIADLO COCC1(C)CCN(c2nnc(-c3cccc(C)n3)n2C[C@@H](c2c(F)cccc2F)[NH+](C)C)CC1 ZINC001315830751 1065194265 /nfs/dbraw/zinc/19/42/65/1065194265.db2.gz IWTPDBRTVHIPED-QFIPXVFZSA-N 1 2 484.595 4.483 20 0 JIADLO COCC1CCN(c2nnc(CC(C)(C)C)n2C[C@H](c2cccc(C)c2)[NH+]2CCOCC2)CC1 ZINC001315914579 1065409878 /nfs/dbraw/zinc/40/98/78/1065409878.db2.gz CRKZWVQWMVEOBM-XMMPIXPASA-N 1 2 469.674 4.111 20 0 JIADLO COCCO[C@@H](C)c1nnc(N2CCC[C@H](C(F)(F)F)C2)n1Cc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC001316190707 1065880475 /nfs/dbraw/zinc/88/04/75/1065880475.db2.gz RXBBGNBGOCFOFX-WMZOPIPTSA-N 1 2 496.509 4.154 20 0 JIADLO COCCO[C@H](C)c1nnc(N2CCCC[C@H](C)C2)n1Cc1cc[nH+]c(N2CCCCC2)c1 ZINC001316196292 1065891036 /nfs/dbraw/zinc/89/10/36/1065891036.db2.gz BRAZKHCDNUIGKA-LEWJYISDSA-N 1 2 456.635 4.062 20 0 JIADLO CSC(C)(C)Cn1c(CSc2ccc(C)cc2)nnc1N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC001316374599 1066133501 /nfs/dbraw/zinc/13/35/01/1066133501.db2.gz ZWAYNHDDWOPZPF-UHFFFAOYSA-N 1 2 483.711 4.445 20 0 JIADLO CSc1ccccc1CN(C)c1nnc(Cc2ccsc2)n1C[C@H](C)[NH+]1CCOCC1 ZINC001316423723 1066235543 /nfs/dbraw/zinc/23/55/43/1066235543.db2.gz HDGZSWUWOTVUFU-SFHVURJKSA-N 1 2 457.669 4.009 20 0 JIADLO CSc1ccccc1CN(C)c1nnc([C@@H]2CCCOC2)n1CCCNc1cccc[nH+]1 ZINC001316425781 1066243861 /nfs/dbraw/zinc/24/38/61/1066243861.db2.gz TUMUWWVZLXGJNE-HXUWFJFHSA-N 1 2 452.628 4.428 20 0 JIADLO O=C(NCc1cc[nH+]c(N2CCN(c3ccc(F)cc3)CC2)c1)N1CCC(Nc2ccccc2)CC1 ZINC001325498707 1066252239 /nfs/dbraw/zinc/25/22/39/1066252239.db2.gz NARJJZOJXCHAPZ-UHFFFAOYSA-N 1 2 488.611 4.333 20 0 JIADLO CSCCCCn1c(Cc2ccsc2)nnc1N1CC[NH+](Cc2cnc(C)s2)CC1 ZINC001316461860 1066358180 /nfs/dbraw/zinc/35/81/80/1066358180.db2.gz GKCVDEIKCYQSGL-UHFFFAOYSA-N 1 2 462.714 4.161 20 0 JIADLO CC[NH+](CC)Cc1csc(NC(=O)[C@H](NS(=O)(=O)c2ccc3ccccc3c2)C(C)C)n1 ZINC001331719893 1066362180 /nfs/dbraw/zinc/36/21/80/1066362180.db2.gz CVRBCOTUPPGNKZ-OAQYLSRUSA-N 1 2 474.652 4.080 20 0 JIADLO CC(C)(C)OC(=O)N[C@H](c1noc([C@@H]2C[N@H+](Cc3ccccc3)CCO2)n1)c1ccccc1 ZINC001332503149 1066377864 /nfs/dbraw/zinc/37/78/64/1066377864.db2.gz ZRNKNLRFQWTVKS-SFTDATJTSA-N 1 2 450.539 4.257 20 0 JIADLO CC(C)(C)OC(=O)N[C@H](c1noc([C@@H]2C[N@@H+](Cc3ccccc3)CCO2)n1)c1ccccc1 ZINC001332503149 1066377883 /nfs/dbraw/zinc/37/78/83/1066377883.db2.gz ZRNKNLRFQWTVKS-SFTDATJTSA-N 1 2 450.539 4.257 20 0 JIADLO Cc1cccc(CCCn2c([C@H](C)Oc3ccccc3F)nnc2N2CCC(CO)CC2)[nH+]1 ZINC001492525008 1066399685 /nfs/dbraw/zinc/39/96/85/1066399685.db2.gz FNNNHSPOTSTQBQ-IBGZPJMESA-N 1 2 453.562 4.102 20 0 JIADLO Cc1nnc(N2CCO[C@H](c3ccccc3Br)C2)n1CCCc1cccc(C)[nH+]1 ZINC001492525550 1066406020 /nfs/dbraw/zinc/40/60/20/1066406020.db2.gz TYPBGQUBHKNMAK-NRFANRHFSA-N 1 2 456.388 4.263 20 0 JIADLO Cc1cccc(CCCn2c(-c3cccnc3)nnc2N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)[nH+]1 ZINC001492526140 1066413489 /nfs/dbraw/zinc/41/34/89/1066413489.db2.gz OBIAKCVFLJMPEZ-HXUWFJFHSA-N 1 2 477.613 4.122 20 0 JIADLO Cc1cccc(CCCn2c([C@@H]3CCCOC3)nnc2N2CC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C2)[nH+]1 ZINC001492526175 1066413634 /nfs/dbraw/zinc/41/36/34/1066413634.db2.gz PGWXIGHMLGQSNU-BHDDXSALSA-N 1 2 498.672 4.248 20 0 JIADLO Cc1cccc(CCCn2c(-c3ccccc3Br)nnc2N(C)[C@@H]2CCOC2)[nH+]1 ZINC001492526190 1066414012 /nfs/dbraw/zinc/41/40/12/1066414012.db2.gz PNVBSBGDWCFMDV-GOSISDBHSA-N 1 2 456.388 4.269 20 0 JIADLO Cc1cccc(CCCn2c(-c3cnccn3)nnc2N2CCC(C(F)(F)F)(C(F)(F)F)C2)[nH+]1 ZINC001492526439 1066415214 /nfs/dbraw/zinc/41/52/14/1066415214.db2.gz YULJVIHZQWADCG-UHFFFAOYSA-N 1 2 485.436 4.392 20 0 JIADLO Cc1cccc(CCCn2c(CC(C)C)nnc2N2CCN(C(=O)CCC3CCCC3)CC2)[nH+]1 ZINC001492526843 1066417309 /nfs/dbraw/zinc/41/73/09/1066417309.db2.gz NHIWSFZPLUNFGU-UHFFFAOYSA-N 1 2 466.674 4.432 20 0 JIADLO Cc1cccc(CCCn2c(COc3ccc(Cl)cc3)nnc2N2CCN(C(=O)C(C)C)CC2)[nH+]1 ZINC001492527143 1066420294 /nfs/dbraw/zinc/42/02/94/1066420294.db2.gz WUMJHHRPKSSQPD-UHFFFAOYSA-N 1 2 497.043 4.151 20 0 JIADLO Cc1cccc(CCCn2c(N(C)Cc3cc(Cl)ccn3)nnc2[C@]2(OC(C)C)CCOC2)[nH+]1 ZINC001492527866 1066427395 /nfs/dbraw/zinc/42/73/95/1066427395.db2.gz WKFZMTQDQSJCOI-VWLOTQADSA-N 1 2 485.032 4.340 20 0 JIADLO O=C(CCOc1ccccc1)N1CCC[C@H](C(=O)Nc2ccc3nc(C[NH+]4CCCCC4)[nH]c3c2)C1 ZINC001338428301 1066554059 /nfs/dbraw/zinc/55/40/59/1066554059.db2.gz BMGOJYIELNOXHH-NRFANRHFSA-N 1 2 489.620 4.195 20 0 JIADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)c2cc(-c3ccc(Cl)cc3)nc3ccccc32)CC1 ZINC001317750054 1066666037 /nfs/dbraw/zinc/66/60/37/1066666037.db2.gz BJLHVLVFILZKLV-UHFFFAOYSA-N 1 2 483.963 4.194 20 0 JIADLO C[C@H]1C[NH+](Cc2ccc(C(=O)Nc3ncc(C(O)(C(F)(F)F)C(F)(F)F)s3)cc2)C[C@H](C)O1 ZINC001317885743 1066754894 /nfs/dbraw/zinc/75/48/94/1066754894.db2.gz OXWNPPAFXLCPMU-RYUDHWBXSA-N 1 2 497.461 4.317 20 0 JIADLO CS(=O)(=O)Cc1cccc(C(=O)O[C@@H](Cn2cc[nH+]c2)c2ccc(Cl)cc2Cl)c1 ZINC001348704429 1066772215 /nfs/dbraw/zinc/77/22/15/1066772215.db2.gz NTJACKDWVODGRH-IBGZPJMESA-N 1 2 453.347 4.333 20 0 JIADLO O=C(c1ccnn1CC(F)(F)F)N1CC[NH+](Cc2ccc(-c3ccccc3F)s2)CC1 ZINC001348921468 1066790110 /nfs/dbraw/zinc/79/01/10/1066790110.db2.gz DIQNWKNJNFMEMC-UHFFFAOYSA-N 1 2 452.477 4.271 20 0 JIADLO CC(C)(C)OC(=O)Nc1ccc(C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)c(Cl)c1 ZINC001349103148 1066808595 /nfs/dbraw/zinc/80/85/95/1066808595.db2.gz VCPOHNJGTFBKIU-IBGZPJMESA-N 1 2 459.974 4.318 20 0 JIADLO CC(C)(C)OC(=O)Nc1ccc(C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)c(Cl)c1 ZINC001349103148 1066808598 /nfs/dbraw/zinc/80/85/98/1066808598.db2.gz VCPOHNJGTFBKIU-IBGZPJMESA-N 1 2 459.974 4.318 20 0 JIADLO COc1ccc(NC(=O)c2c3c(sc2NC(=O)c2cc(C[NH+](C)C)on2)CCCC3)cc1 ZINC001349293278 1066827131 /nfs/dbraw/zinc/82/71/31/1066827131.db2.gz BGHZUPOKZRORKC-UHFFFAOYSA-N 1 2 454.552 4.190 20 0 JIADLO O=C(COc1ccc(Cl)cc1Br)Nc1ccccc1OCCn1cc[nH+]c1 ZINC001318042957 1066867347 /nfs/dbraw/zinc/86/73/47/1066867347.db2.gz JHWWCJXGQDXJJH-UHFFFAOYSA-N 1 2 450.720 4.396 20 0 JIADLO CCN(CC)S(=O)(=O)c1ccc(Oc2ccccc2)c(NC(=O)C[C@@H](C)n2cc[nH+]c2)c1 ZINC001349887403 1066892225 /nfs/dbraw/zinc/89/22/25/1066892225.db2.gz XSMKHPNAFHDHOX-GOSISDBHSA-N 1 2 456.568 4.296 20 0 JIADLO CCOc1ccc(CN(CCCn2cc[nH+]c2)C(=O)N[C@@H]2CCCN(C(=O)c3ccccc3)C2)cc1 ZINC001318175418 1066940342 /nfs/dbraw/zinc/94/03/42/1066940342.db2.gz MNWCSHDDOPIYSI-RUZDIDTESA-N 1 2 489.620 4.189 20 0 JIADLO CC[NH+](CC)Cc1csc(NC(=O)c2ccc(N(C)S(=O)(=O)c3ccc(C)cc3)cc2)n1 ZINC001350430715 1066957411 /nfs/dbraw/zinc/95/74/11/1066957411.db2.gz AWYVVBKLHPKWDM-UHFFFAOYSA-N 1 2 472.636 4.371 20 0 JIADLO O=C(CCCOc1ccc2c(c1)CCC(=O)N2)Nc1ccc2nc(C[NH+]3CCCCC3)[nH]c2c1 ZINC001318210831 1066960779 /nfs/dbraw/zinc/96/07/79/1066960779.db2.gz VEWFHCIOYORYSR-UHFFFAOYSA-N 1 2 461.566 4.231 20 0 JIADLO CS(=O)(=O)c1ccc(OCCCCC(=O)Nc2ccc3nc(C[NH+]4CCCCC4)[nH]c3c2)cc1 ZINC001318213352 1066962377 /nfs/dbraw/zinc/96/23/77/1066962377.db2.gz ASDYHSJMELRAPQ-UHFFFAOYSA-N 1 2 484.622 4.140 20 0 JIADLO O=C(Nc1ccc2nc(C[NH+]3CCCCC3)[nH]c2c1)c1ccc(S(=O)(=O)N2CCCCCC2)cc1 ZINC001318238102 1066978231 /nfs/dbraw/zinc/97/82/31/1066978231.db2.gz PHBKCMWIUXASNE-UHFFFAOYSA-N 1 2 495.649 4.366 20 0 JIADLO CCOc1ccccc1[C@H](CC(=O)Nc1ccc2nc(C[NH+]3CCCCC3)[nH]c2c1)NC(C)=O ZINC001318244034 1066980847 /nfs/dbraw/zinc/98/08/47/1066980847.db2.gz AZJRORTYMYQGQS-QFIPXVFZSA-N 1 2 463.582 4.154 20 0 JIADLO CCOc1ccc(NC(=O)c2ccc(NC(=O)[C@H]3C[N@H+](Cc4ccccc4)CCO3)cc2)cc1 ZINC001350628869 1066981233 /nfs/dbraw/zinc/98/12/33/1066981233.db2.gz ZRRPJGNIGPJVFG-RUZDIDTESA-N 1 2 459.546 4.177 20 0 JIADLO CCOc1ccc(NC(=O)c2ccc(NC(=O)[C@H]3C[N@@H+](Cc4ccccc4)CCO3)cc2)cc1 ZINC001350628869 1066981248 /nfs/dbraw/zinc/98/12/48/1066981248.db2.gz ZRRPJGNIGPJVFG-RUZDIDTESA-N 1 2 459.546 4.177 20 0 JIADLO O=C1C[C@@H]([NH+]2CCC([C@@H]3C(=O)Nc4ccccc43)CC2)C(=O)N1c1ccc(Cl)c(C(F)(F)F)c1 ZINC001318338950 1067022758 /nfs/dbraw/zinc/02/27/58/1067022758.db2.gz SBMPGHPMUJFJOF-CTNGQTDRSA-N 1 2 491.897 4.439 20 0 JIADLO COc1cc[nH+]cc1Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCN(C(=O)C(C)(C)C)CC1 ZINC001300693361 1067044335 /nfs/dbraw/zinc/04/43/35/1067044335.db2.gz FINCCZJFRPVEHM-UHFFFAOYSA-N 1 2 490.652 4.389 20 0 JIADLO CC(C)(C)OC(=O)NC1(C(=O)N2CC[NH+](Cc3ccc(-c4cccc(F)c4)s3)CC2)CC1 ZINC001354691441 1067044741 /nfs/dbraw/zinc/04/47/41/1067044741.db2.gz CSZPFLVONZBYHE-UHFFFAOYSA-N 1 2 459.587 4.256 20 0 JIADLO COc1cc[nH+]cc1Cn1c(-c2ccc(Br)cc2)nnc1N1CCS[C@@H](C)[C@@H]1C ZINC001300693620 1067045154 /nfs/dbraw/zinc/04/51/54/1067045154.db2.gz HYIDFFLXRQDDOB-GJZGRUSLSA-N 1 2 474.428 4.490 20 0 JIADLO COc1cc[nH+]cc1Cn1c(-c2ccc(Cl)cc2)nnc1N1C[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001300694243 1067047918 /nfs/dbraw/zinc/04/79/18/1067047918.db2.gz PYZOBRCMPKIYRN-JXFKEZNVSA-N 1 2 499.015 4.400 20 0 JIADLO COc1cc[nH+]cc1Cn1c(COc2cc(C)ccc2C)nnc1N(C)CC1CC(F)(F)C1 ZINC001300694585 1067049024 /nfs/dbraw/zinc/04/90/24/1067049024.db2.gz CWGAOMBAABYKGP-UHFFFAOYSA-N 1 2 457.525 4.407 20 0 JIADLO CN(C(=O)OC(C)(C)C)C1(C)CC[NH+]([C@@H]2CC(=O)N(c3ccccc3C(F)(F)F)C2=O)CC1 ZINC001318619937 1067056707 /nfs/dbraw/zinc/05/67/07/1067056707.db2.gz GMRQPAVDWJEZQO-QGZVFWFLSA-N 1 2 469.504 4.059 20 0 JIADLO COc1cc[nH+]cc1Cn1c(COc2ccccc2OC)nnc1N(C)[C@@H]1CCC[C@@H](C)C1 ZINC001300701563 1067061637 /nfs/dbraw/zinc/06/16/37/1067061637.db2.gz CTWAPQYJDZAFPM-UYAOXDASSA-N 1 2 451.571 4.333 20 0 JIADLO COc1cc[nH+]cc1Cn1c(N(C)Cc2ccccc2SC)nnc1[C@]1(OC(C)C)CCOC1 ZINC001300702811 1067066152 /nfs/dbraw/zinc/06/61/52/1067066152.db2.gz VRCVMXLASOZMDT-VWLOTQADSA-N 1 2 483.638 4.129 20 0 JIADLO CC(C)(C)OC(=O)NC[C@H]1CCC[N@H+](CC(=O)N(CC(F)(F)F)c2ccc(Cl)cc2)C1 ZINC001321140159 1067099534 /nfs/dbraw/zinc/09/95/34/1067099534.db2.gz SGOGUXSHIHWMKH-OAHLLOKOSA-N 1 2 463.928 4.472 20 0 JIADLO CC(C)(C)OC(=O)NC[C@H]1CCC[N@@H+](CC(=O)N(CC(F)(F)F)c2ccc(Cl)cc2)C1 ZINC001321140159 1067099550 /nfs/dbraw/zinc/09/95/50/1067099550.db2.gz SGOGUXSHIHWMKH-OAHLLOKOSA-N 1 2 463.928 4.472 20 0 JIADLO O=C(Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1)c1cn(-c2ccc(Br)cc2)nn1 ZINC001321704598 1067200569 /nfs/dbraw/zinc/20/05/69/1067200569.db2.gz DFZKEYKNXRNEPJ-UHFFFAOYSA-N 1 2 463.339 4.482 20 0 JIADLO Cc1cc(C(=O)N2CCCC[C@H]2C)ccc1NC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001322063319 1067245452 /nfs/dbraw/zinc/24/54/52/1067245452.db2.gz KRNRAEDUOMMAMQ-ZJSXRUAMSA-N 1 2 464.610 4.032 20 0 JIADLO Cc1cc(C(=O)N2CCCC[C@H]2C)ccc1NC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001322063319 1067245484 /nfs/dbraw/zinc/24/54/84/1067245484.db2.gz KRNRAEDUOMMAMQ-ZJSXRUAMSA-N 1 2 464.610 4.032 20 0 JIADLO O=C(NCCc1ccn(-c2ccccc2)n1)[C@H](c1cccc(Br)c1)[NH+]1CCCC1 ZINC001352219354 1067312145 /nfs/dbraw/zinc/31/21/45/1067312145.db2.gz XKIKXWYMPPFEJA-QFIPXVFZSA-N 1 2 453.384 4.131 20 0 JIADLO COc1ccc(-c2nnc(N(C)CC(F)(F)F)n2C[C@H]2CCCn3cc(C)[nH+]c32)c(OC)c1 ZINC001300000866 1067337559 /nfs/dbraw/zinc/33/75/59/1067337559.db2.gz MWOCALOWKFZPTH-OAHLLOKOSA-N 1 2 464.492 4.043 20 0 JIADLO CO[C@H]1CN(c2nnc(-c3cc(Br)c[nH]3)n2CCCc2cccc(C)[nH+]2)CC[C@H]1C ZINC001300793427 1067365634 /nfs/dbraw/zinc/36/56/34/1067365634.db2.gz FXVMMIOJEFZDPD-QRWLVFNGSA-N 1 2 473.419 4.233 20 0 JIADLO COc1ccc(-c2nnc(N(C)CCC(F)(F)F)n2C[C@H]2CCCn3cc(C)[nH+]c32)c(OC)c1 ZINC001300012136 1067366207 /nfs/dbraw/zinc/36/62/07/1067366207.db2.gz RRSHGMUHXYPYAC-MRXNPFEDSA-N 1 2 478.519 4.433 20 0 JIADLO CCN(C[C@H]1COc2ccccc2O1)C(=O)[C@H](c1cccc(Br)c1)[NH+]1CCCC1 ZINC001352506089 1067454794 /nfs/dbraw/zinc/45/47/94/1067454794.db2.gz NIZASFDLKJKEOC-UGKGYDQZSA-N 1 2 459.384 4.275 20 0 JIADLO O=C(NCC[NH+]1CCN(c2cccc(Cl)c2)CC1)c1cc(Br)ccc1Cl ZINC001355620607 1067530741 /nfs/dbraw/zinc/53/07/41/1067530741.db2.gz DYXGIKGGTLMGHQ-UHFFFAOYSA-N 1 2 457.199 4.308 20 0 JIADLO Cc1cccc(CNC(=O)c2ccc(C(=O)Nc3ccccc3OCCn3cc[nH+]c3)cc2)c1 ZINC001355705312 1067557292 /nfs/dbraw/zinc/55/72/92/1067557292.db2.gz WDHHAUBSOVVNAB-UHFFFAOYSA-N 1 2 454.530 4.453 20 0 JIADLO Cc1ccc(C(F)(F)C(=O)NCc2cc[nH+]c(N3CCN(c4ccc(F)cc4)CC3)c2)cc1 ZINC001355756072 1067574766 /nfs/dbraw/zinc/57/47/66/1067574766.db2.gz ZFXORGKUXRADSX-UHFFFAOYSA-N 1 2 454.496 4.264 20 0 JIADLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)c1cc(-c2ccc(Br)cc2)ns1 ZINC001355847529 1067591216 /nfs/dbraw/zinc/59/12/16/1067591216.db2.gz CBESMYAUDSQLNM-UHFFFAOYSA-N 1 2 459.369 4.365 20 0 JIADLO C[NH+](C)[C@@H](C(=O)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1)c1cccc(Cl)c1 ZINC001352668745 1067617935 /nfs/dbraw/zinc/61/79/35/1067617935.db2.gz IVKRQBOIDCRKRC-OAQYLSRUSA-N 1 2 450.004 4.146 20 0 JIADLO Cc1nc(C[N@@H+]2CCC3(CN(C(=S)Nc4ccc(C)cc4Br)C3)C2)cs1 ZINC001200149335 1067764266 /nfs/dbraw/zinc/76/42/66/1067764266.db2.gz UQLRMANPTDPMCZ-UHFFFAOYSA-N 1 2 451.459 4.427 20 0 JIADLO Cc1nc(C[N@H+]2CCC3(CN(C(=S)Nc4ccc(C)cc4Br)C3)C2)cs1 ZINC001200149335 1067764270 /nfs/dbraw/zinc/76/42/70/1067764270.db2.gz UQLRMANPTDPMCZ-UHFFFAOYSA-N 1 2 451.459 4.427 20 0 JIADLO Cc1cc(-c2noc([C@H](C)NC(=O)Nc3ccccc3OCCn3cc[nH+]c3)n2)ccc1F ZINC001200174532 1067808918 /nfs/dbraw/zinc/80/89/18/1067808918.db2.gz NACXFIJBDOSPTH-INIZCTEOSA-N 1 2 450.474 4.342 20 0 JIADLO O=C(Nc1ccccc1OCCn1cc[nH+]c1)N[C@H]1CCN(c2ccccc2C(F)(F)F)C1 ZINC001200176012 1067809983 /nfs/dbraw/zinc/80/99/83/1067809983.db2.gz XWZYUYZAJPIQQC-KRWDZBQOSA-N 1 2 459.472 4.381 20 0 JIADLO CC[C@@H](C)[C@@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)c1ccn(-c2ccc(F)cc2F)n1 ZINC001357245392 1067823499 /nfs/dbraw/zinc/82/34/99/1067823499.db2.gz CKTDHASHFMXBRQ-OSPHWJPCSA-N 1 2 453.537 4.227 20 0 JIADLO CC[C@@H](C)[C@@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)c1ccn(-c2ccc(F)cc2F)n1 ZINC001357245392 1067823502 /nfs/dbraw/zinc/82/35/02/1067823502.db2.gz CKTDHASHFMXBRQ-OSPHWJPCSA-N 1 2 453.537 4.227 20 0 JIADLO Cc1nc2ccc(Br)cn2c1C(=O)N[C@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC001357329365 1067835196 /nfs/dbraw/zinc/83/51/96/1067835196.db2.gz CKQORTWRWMXGNG-LJQANCHMSA-N 1 2 452.356 4.390 20 0 JIADLO CCCN(C(=O)c1ccc(S(=O)(=O)CC2CC2)cc1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001357512368 1067862102 /nfs/dbraw/zinc/86/21/02/1067862102.db2.gz NSHCTERNWMYVNY-DEOSSOPVSA-N 1 2 454.636 4.387 20 0 JIADLO CCCN(C(=O)c1ccc(S(=O)(=O)CC2CC2)cc1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001357512368 1067862107 /nfs/dbraw/zinc/86/21/07/1067862107.db2.gz NSHCTERNWMYVNY-DEOSSOPVSA-N 1 2 454.636 4.387 20 0 JIADLO Cc1ccccc1-c1nnc(N(C)C[C@@H](c2cccs2)[NH+]2CCOCC2)n1CCOC(C)C ZINC001492557602 1067871887 /nfs/dbraw/zinc/87/18/87/1067871887.db2.gz PWXCAGAWJAMHEY-QFIPXVFZSA-N 1 2 469.655 4.250 20 0 JIADLO COc1cccc([C@H](O)C2CCN(C(=O)Nc3cccc([C@@H](C)[NH+]4CCOCC4)c3)CC2)c1 ZINC001200233142 1067877295 /nfs/dbraw/zinc/87/72/95/1067877295.db2.gz NKFJAELQRJXWFZ-KBMIEXCESA-N 1 2 453.583 4.066 20 0 JIADLO CCCOc1ccc(C(C)(C)C)cc1S(=O)(=O)N1CC[C@H]2[C@H]1CC[N@@H+]2Cc1cccnc1 ZINC001200268450 1067910540 /nfs/dbraw/zinc/91/05/40/1067910540.db2.gz SOUHMVUDQXSBFO-FCHUYYIVSA-N 1 2 457.640 4.205 20 0 JIADLO CCCOc1ccc(C(C)(C)C)cc1S(=O)(=O)N1CC[C@H]2[C@H]1CC[N@H+]2Cc1cccnc1 ZINC001200268450 1067910556 /nfs/dbraw/zinc/91/05/56/1067910556.db2.gz SOUHMVUDQXSBFO-FCHUYYIVSA-N 1 2 457.640 4.205 20 0 JIADLO COc1ccc(C[NH+]2CCN(c3nnc(Cc4cccnc4)n3CC(C)(C)C(C)C)CC2)cc1F ZINC001300231945 1067916993 /nfs/dbraw/zinc/91/69/93/1067916993.db2.gz GOXSDQRFRYXNET-UHFFFAOYSA-N 1 2 480.632 4.416 20 0 JIADLO COc1ccc(C[NH+]2CCN(c3nnc(CC(C)C)n3C[C@H]3CCCO[C@H]3C(C)C)CC2)cc1F ZINC001300232269 1067918492 /nfs/dbraw/zinc/91/84/92/1067918492.db2.gz QUJZJIMQVAKGGN-GJZUVCINSA-N 1 2 487.664 4.398 20 0 JIADLO COc1ccc(F)cc1C[NH+]1CCN(c2nnc(C3CCCC3)n2CCCOC(F)(F)F)CC1 ZINC001300244938 1067964173 /nfs/dbraw/zinc/96/41/73/1067964173.db2.gz CKDMUFJRLIRLEO-UHFFFAOYSA-N 1 2 485.526 4.332 20 0 JIADLO COc1ccc(F)cc1C[NH+]1CCN(c2nnc(CC3CCCC3)n2C[C@H](OC)C(C)C)CC1 ZINC001300247923 1067981884 /nfs/dbraw/zinc/98/18/84/1067981884.db2.gz RWYHARDUIOHXIH-DEOSSOPVSA-N 1 2 473.637 4.152 20 0 JIADLO CN(C)c1cc(C(=O)N[C@@H](c2ccc(Cl)cc2)[C@@H]2C[N@H+](C)CCO2)cc(C(F)(F)F)c1 ZINC001358073044 1068010249 /nfs/dbraw/zinc/01/02/49/1068010249.db2.gz RVPLZAXLDYHHCD-PMACEKPBSA-N 1 2 455.908 4.227 20 0 JIADLO CN(C)c1cc(C(=O)N[C@@H](c2ccc(Cl)cc2)[C@@H]2C[N@@H+](C)CCO2)cc(C(F)(F)F)c1 ZINC001358073044 1068010263 /nfs/dbraw/zinc/01/02/63/1068010263.db2.gz RVPLZAXLDYHHCD-PMACEKPBSA-N 1 2 455.908 4.227 20 0 JIADLO COc1cccc(COCC(=O)N2CC[NH+](Cc3ccc(-c4cccc(F)c4)s3)CC2)c1 ZINC001353338397 1068041984 /nfs/dbraw/zinc/04/19/84/1068041984.db2.gz DSTPUZIPRNCRTC-UHFFFAOYSA-N 1 2 454.567 4.424 20 0 JIADLO COc1ccc(Cl)cc1-c1cc(NC(=O)c2cccc(NC(=O)CCn3cc[nH+]c3)c2)n[nH]1 ZINC000512844906 1068238152 /nfs/dbraw/zinc/23/81/52/1068238152.db2.gz JBWRMAOLYXDHMG-UHFFFAOYSA-N 1 2 464.913 4.216 20 0 JIADLO CC(C)(C)c1nn(-c2ccccc2)cc1C(=O)NC1CC[NH+](CC(=O)Nc2ccccc2)CC1 ZINC001353516907 1068254968 /nfs/dbraw/zinc/25/49/68/1068254968.db2.gz BFBKXCLUOHYSFP-UHFFFAOYSA-N 1 2 459.594 4.003 20 0 JIADLO Cc1ccc(NC(=O)N[C@H](Cc2ccccc2)C[NH+]2CCOCC2)cc1NC(=O)C(C)(C)C ZINC001200372841 1068291328 /nfs/dbraw/zinc/29/13/28/1068291328.db2.gz ONIJNVBYMRWLBA-JOCHJYFZSA-N 1 2 452.599 4.045 20 0 JIADLO O=C(CS[C@H](c1ccccc1)c1ccc(Cl)cc1)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000521312074 1068331922 /nfs/dbraw/zinc/33/19/22/1068331922.db2.gz QLZAEIXCBCKJLB-XMMPIXPASA-N 1 2 471.026 4.330 20 0 JIADLO CCN(C(=O)c1cnc(C2CCCC2)nc1N)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000622386446 1068361612 /nfs/dbraw/zinc/36/16/12/1068361612.db2.gz YUYHJXKWNLHQAX-UHFFFAOYSA-N 1 2 451.619 4.069 20 0 JIADLO CN(C)S(=O)(=O)c1cccc(C[NH2+]Cc2csc(-c3ccc(C(F)(F)F)cc3)n2)c1 ZINC001474155025 1068366819 /nfs/dbraw/zinc/36/68/19/1068366819.db2.gz YGURYTMJHWMKIO-UHFFFAOYSA-N 1 2 455.527 4.369 20 0 JIADLO Cc1ccccc1COc1c(C)cc(CN(C)C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)cc1C ZINC001353646440 1068396967 /nfs/dbraw/zinc/39/69/67/1068396967.db2.gz SRCKYUVEEZWVMG-FTJBHMTQSA-N 1 2 466.622 4.029 20 0 JIADLO COc1cccc(-c2nnc(N3C[C@@H](C)[C@H](C(F)(F)F)C3)n2CCCNc2cccc[nH+]2)c1 ZINC001300398487 1068544481 /nfs/dbraw/zinc/54/44/81/1068544481.db2.gz QVQIIAOCDGSALA-VQIMIIECSA-N 1 2 460.504 4.486 20 0 JIADLO C[NH+]1CCN(C(=O)c2ccccc2NC(=O)c2ccc(Oc3ccc(Cl)cn3)cc2)CC1 ZINC001353768470 1068563783 /nfs/dbraw/zinc/56/37/83/1068563783.db2.gz SMTSPIPDJMALST-UHFFFAOYSA-N 1 2 450.926 4.167 20 0 JIADLO COc1cccc(CN(C)c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2Cc2c[nH+]ccc2OC)c1 ZINC001300420680 1068633609 /nfs/dbraw/zinc/63/36/09/1068633609.db2.gz HAUFFTANBNRMMA-FYYLOGMGSA-N 1 2 465.598 4.294 20 0 JIADLO CC(C)(C)OC(=O)NCC[N@H+](CC(=O)Nc1ccccc1N1CCCC1)Cc1ccccc1 ZINC001353907282 1068740447 /nfs/dbraw/zinc/74/04/47/1068740447.db2.gz ZYILWPKZAJFKSD-UHFFFAOYSA-N 1 2 452.599 4.252 20 0 JIADLO CC(C)(C)OC(=O)NCC[N@@H+](CC(=O)Nc1ccccc1N1CCCC1)Cc1ccccc1 ZINC001353907282 1068740455 /nfs/dbraw/zinc/74/04/55/1068740455.db2.gz ZYILWPKZAJFKSD-UHFFFAOYSA-N 1 2 452.599 4.252 20 0 JIADLO CCOC(=O)Oc1ccc(C(=O)N2CC[NH+](Cc3ccc(OC(F)(F)F)cc3)CC2)cc1 ZINC001354043786 1068859976 /nfs/dbraw/zinc/85/99/76/1068859976.db2.gz GPPCUSYUNRNQBV-UHFFFAOYSA-N 1 2 452.429 4.079 20 0 JIADLO Cc1onc(-c2c(F)cccc2Cl)c1C(=O)N[C@H](C)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001354156987 1068936778 /nfs/dbraw/zinc/93/67/78/1068936778.db2.gz PNFHPLOSPJISOA-QRWLVFNGSA-N 1 2 457.933 4.462 20 0 JIADLO Cc1onc(-c2c(F)cccc2Cl)c1C(=O)N[C@H](C)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001354156987 1068936790 /nfs/dbraw/zinc/93/67/90/1068936790.db2.gz PNFHPLOSPJISOA-QRWLVFNGSA-N 1 2 457.933 4.462 20 0 JIADLO Cc1ccccc1-c1nnc(N2CCN(c3cccc[nH+]3)CC2)n1C[C@@H](C)CNC(=O)OC(C)(C)C ZINC001492569326 1068970210 /nfs/dbraw/zinc/97/02/10/1068970210.db2.gz SYVZJSVTKCRZLW-FQEVSTJZSA-N 1 2 491.640 4.136 20 0 JIADLO COc1cc(C(F)(F)N2CCO[C@@H](c3[nH+]cn4c3cccc4Br)C2)cc(Cl)n1 ZINC001164416697 718889958 /nfs/dbraw/zinc/88/99/58/718889958.db2.gz FSANZIDFYWZBNA-CYBMUJFWSA-N 1 2 473.705 4.277 20 0 JIADLO FC(F)(Oc1cccnc1Cl)N1CCO[C@@H](c2[nH+]cn3c2cccc3Br)C1 ZINC001164421279 718890028 /nfs/dbraw/zinc/89/00/28/718890028.db2.gz WTHSCNLWRLXXFP-CYBMUJFWSA-N 1 2 459.678 4.148 20 0 JIADLO FC(F)(c1nc2ccc(Cl)nc2[nH]1)N1CCO[C@H](c2[nH+]cn3c2cccc3Br)C1 ZINC001164416718 718891010 /nfs/dbraw/zinc/89/10/10/718891010.db2.gz FWDCEKINIASRDG-LBPRGKRZSA-N 1 2 483.704 4.144 20 0 JIADLO CCOC(=O)c1ccc(C)c(N2CCC3(CC2)c2ncc(-c4ccccc4)n2CC[N@H+]3CC)n1 ZINC001164662646 719344985 /nfs/dbraw/zinc/34/49/85/719344985.db2.gz RCPPQLGUQFSWEP-UHFFFAOYSA-N 1 2 459.594 4.261 20 0 JIADLO CCOC(=O)c1ccc(C)c(N2CCC3(CC2)c2ncc(-c4ccccc4)n2CC[N@@H+]3CC)n1 ZINC001164662646 719344986 /nfs/dbraw/zinc/34/49/86/719344986.db2.gz RCPPQLGUQFSWEP-UHFFFAOYSA-N 1 2 459.594 4.261 20 0 JIADLO Fc1ccc(C[N@@H+]2CCOCC23CCN(c2ncnc4c2ncn4Cc2ccccc2F)CC3)cc1 ZINC001164670298 719514973 /nfs/dbraw/zinc/51/49/73/719514973.db2.gz CSXBTJPGDVSHAI-UHFFFAOYSA-N 1 2 490.558 4.024 20 0 JIADLO Fc1ccc(C[N@H+]2CCOCC23CCN(c2ncnc4c2ncn4Cc2ccccc2F)CC3)cc1 ZINC001164670298 719514982 /nfs/dbraw/zinc/51/49/82/719514982.db2.gz CSXBTJPGDVSHAI-UHFFFAOYSA-N 1 2 490.558 4.024 20 0 JIADLO Cc1cc(N2CCC3(CC2)COCC[N@@H+]3Cc2ccc(F)cc2)nc(NC(=O)c2ccccc2)n1 ZINC001164679360 719527502 /nfs/dbraw/zinc/52/75/02/719527502.db2.gz YLJQOBHWILSFQY-UHFFFAOYSA-N 1 2 475.568 4.048 20 0 JIADLO Cc1cc(N2CCC3(CC2)COCC[N@H+]3Cc2ccc(F)cc2)nc(NC(=O)c2ccccc2)n1 ZINC001164679360 719527517 /nfs/dbraw/zinc/52/75/17/719527517.db2.gz YLJQOBHWILSFQY-UHFFFAOYSA-N 1 2 475.568 4.048 20 0 JIADLO FC(F)(c1cccc2c(Cl)nc(Cl)nc21)N1CCc2onc(Cn3cc[nH+]c3)c2C1 ZINC001164677494 719564710 /nfs/dbraw/zinc/56/47/10/719564710.db2.gz OKQDGQBDJSBUJI-UHFFFAOYSA-N 1 2 451.264 4.277 20 0 JIADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1cc(-c2ccccc2)nc(-c2cccs2)n1 ZINC001164708209 719872200 /nfs/dbraw/zinc/87/22/00/719872200.db2.gz YQJCZYYWNBCWKG-RXFWQSSRSA-N 1 2 478.618 4.105 20 0 JIADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4nc(Cl)cc(C5CCCCC5)n4)CC3)C2=O)cs1 ZINC001164823576 720384296 /nfs/dbraw/zinc/38/42/96/720384296.db2.gz OPAAKKJJIJIZIL-UHFFFAOYSA-N 1 2 489.089 4.256 20 0 JIADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4nc(Cl)cc(C5CCCCC5)n4)CC3)C2=O)cs1 ZINC001164823576 720384302 /nfs/dbraw/zinc/38/43/02/720384302.db2.gz OPAAKKJJIJIZIL-UHFFFAOYSA-N 1 2 489.089 4.256 20 0 JIADLO CSc1ccc(C(F)(F)N2Cc3c[nH+]cn3C[C@@H](COc3cccnc3)C2)nc1Cl ZINC001164767095 721274585 /nfs/dbraw/zinc/27/45/85/721274585.db2.gz GBGJABLDTODJKU-CQSZACIVSA-N 1 2 451.930 4.309 20 0 JIADLO COCCN1CCN(c2nc(C[NH+](C)C)nc3scc(-c4ccccc4)c32)Cc2cccnc21 ZINC001164888753 721369597 /nfs/dbraw/zinc/36/95/97/721369597.db2.gz WPVRRFHHOODPJE-UHFFFAOYSA-N 1 2 474.634 4.288 20 0 JIADLO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2C[C@H]3CN(Cc4nccs4)C[C@@H]3C2)n1 ZINC001164790215 721426612 /nfs/dbraw/zinc/42/66/12/721426612.db2.gz XFTXMFVGDVMVRD-QZTJIDSGSA-N 1 2 456.685 4.175 20 0 JIADLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(C(F)(F)c1ccc3nc(Cl)c(Cl)nc3c1)C2 ZINC001165009654 721706179 /nfs/dbraw/zinc/70/61/79/721706179.db2.gz BPIWYZADUIUXNZ-UHFFFAOYSA-N 1 2 470.355 4.324 20 0 JIADLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(C(F)(F)c1ccc3nc(Cl)c(Cl)nc3c1)C2 ZINC001165009654 721706183 /nfs/dbraw/zinc/70/61/83/721706183.db2.gz BPIWYZADUIUXNZ-UHFFFAOYSA-N 1 2 470.355 4.324 20 0 JIADLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(c1nc(-c3cccnc3)nc3sc4c(c31)CCCC4)C2 ZINC001165008294 721712862 /nfs/dbraw/zinc/71/28/62/721712862.db2.gz DQHFFDGNNWWMTR-UHFFFAOYSA-N 1 2 488.665 4.474 20 0 JIADLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(c1nc(-c3cccnc3)nc3sc4c(c31)CCCC4)C2 ZINC001165008294 721712869 /nfs/dbraw/zinc/71/28/69/721712869.db2.gz DQHFFDGNNWWMTR-UHFFFAOYSA-N 1 2 488.665 4.474 20 0 JIADLO Cc1c[nH+]c2n1CCN(C)C21CCN(c2nc(-c3ccccn3)c(-c3ccccn3)nc2Cl)CC1 ZINC001164919822 721821852 /nfs/dbraw/zinc/82/18/52/721821852.db2.gz WTMKAZNPGDXWDA-UHFFFAOYSA-N 1 2 487.011 4.200 20 0 JIADLO FC(F)(Oc1ccc2nc(Cl)c(Cl)nc2c1)N1CC[NH+](CCc2ccccn2)CC1 ZINC001165054272 722012473 /nfs/dbraw/zinc/01/24/73/722012473.db2.gz VOCYDNVZMQBDQR-UHFFFAOYSA-N 1 2 454.308 4.121 20 0 JIADLO CC(C)(C)OC(=O)Nc1ccc(F)c(NC(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)c1 ZINC001200701343 1069324114 /nfs/dbraw/zinc/32/41/14/1069324114.db2.gz ZVAGVLSKUQMXFX-IBGZPJMESA-N 1 2 458.534 4.195 20 0 JIADLO CC(C)(C)OC(=O)Nc1ccc(F)c(NC(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)c1 ZINC001200701343 1069324130 /nfs/dbraw/zinc/32/41/30/1069324130.db2.gz ZVAGVLSKUQMXFX-IBGZPJMESA-N 1 2 458.534 4.195 20 0 JIADLO COc1ccccc1SCc1nnc(N(C)Cc2ccoc2C)n1CC(C)(C)[NH+]1CCOCC1 ZINC001300670603 1069402652 /nfs/dbraw/zinc/40/26/52/1069402652.db2.gz ZGLMALLQFWMRTD-UHFFFAOYSA-N 1 2 485.654 4.228 20 0 JIADLO COc1ccccc1SCc1nnc(N2CC[C@@H](C(C)C)C2)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001300671914 1069407682 /nfs/dbraw/zinc/40/76/82/1069407682.db2.gz DLGCXZRZWFQLQF-HXUWFJFHSA-N 1 2 473.687 4.172 20 0 JIADLO COc1ccccc1SCc1nnc(N2CC[C@@H](C(C)C)C2)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001300671914 1069407695 /nfs/dbraw/zinc/40/76/95/1069407695.db2.gz DLGCXZRZWFQLQF-HXUWFJFHSA-N 1 2 473.687 4.172 20 0 JIADLO CC(C)(C)c1nnc(N2CCC[C@H](C(=O)Nc3ccc(Cl)cn3)C2)n1CCCNc1cccc[nH+]1 ZINC001359508917 1069785189 /nfs/dbraw/zinc/78/51/89/1069785189.db2.gz KSFZGGUGUAXTFA-SFHVURJKSA-N 1 2 497.047 4.376 20 0 JIADLO CC(C)(C)c1nnc(N2CCO[C@@](C)(C(C)(C)C)C2)n1C[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001359517509 1069804678 /nfs/dbraw/zinc/80/46/78/1069804678.db2.gz WAAUUPYDCCVRRR-AJTFRIOCSA-N 1 2 469.674 4.118 20 0 JIADLO CC(C)(C)c1nnc(N2CCO[C@@](C)(C(C)(C)C)C2)n1C[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001359517509 1069804679 /nfs/dbraw/zinc/80/46/79/1069804679.db2.gz WAAUUPYDCCVRRR-AJTFRIOCSA-N 1 2 469.674 4.118 20 0 JIADLO CC(C)c1nc(CCn2c(-c3cccc(Cl)c3)nnc2N(C)CC[NH+]2CCOCC2)cs1 ZINC001359672635 1070320226 /nfs/dbraw/zinc/32/02/26/1070320226.db2.gz YQRPDTIQPVXBMR-UHFFFAOYSA-N 1 2 475.062 4.190 20 0 JIADLO CC(C)c1nnc(N(C)C2CCN(C(=O)c3ccccc3)CC2)n1CCCNc1cccc[nH+]1 ZINC001359677701 1070332618 /nfs/dbraw/zinc/33/26/18/1070332618.db2.gz LVLJITOXKZLDTQ-UHFFFAOYSA-N 1 2 461.614 4.040 20 0 JIADLO CC(C)c1nnc(N(C)CCc2ccc(Br)cc2)n1Cc1ccc(N2CCOCC2)[nH+]c1 ZINC001359683496 1070339447 /nfs/dbraw/zinc/33/94/47/1070339447.db2.gz BROOLOCQZIEKNG-UHFFFAOYSA-N 1 2 499.457 4.123 20 0 JIADLO CC(C)c1nnc(N2CCC(Oc3ccc(F)cc3F)CC2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001359701519 1070367523 /nfs/dbraw/zinc/36/75/23/1070367523.db2.gz WFZLLBQZHIZZDA-UHFFFAOYSA-N 1 2 456.541 4.237 20 0 JIADLO COc1ccc(C[NH+]2CCN(c3nnc(-c4cccnc4)n3CCCC(C)C)CC2)cc1F ZINC001315505185 1064418072 /nfs/dbraw/zinc/41/80/72/1064418072.db2.gz OFAZYSJIKIMZME-UHFFFAOYSA-N 1 2 452.578 4.246 20 0 JIADLO COc1cccc(O[C@H](C)Cn2c(C(C)C)nnc2N2CCN(c3cc(C)[nH+]c(C(C)C)n3)CC2)c1 ZINC001315586352 1064666078 /nfs/dbraw/zinc/66/60/78/1064666078.db2.gz ZEELJULALIFKLV-OAQYLSRUSA-N 1 2 493.656 4.426 20 0 JIADLO COc1ccccc1C[C@H](C)N(C)c1nnc([C@H]2CCCCO2)n1Cc1c[nH+]ccc1OC ZINC001315613377 1064736491 /nfs/dbraw/zinc/73/64/91/1064736491.db2.gz PTXAUBAJOMBZLK-FDDCHVKYSA-N 1 2 451.571 4.048 20 0 JIADLO COc1ccccc1OCc1nnc(N2CCCC(C)(C)C2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001315654066 1064840249 /nfs/dbraw/zinc/84/02/49/1064840249.db2.gz DZQGKASTPWMDBA-UHFFFAOYSA-N 1 2 450.587 4.001 20 0 JIADLO COc1ccccc1SCc1nnc(N(C)C2CCC(C)CC2)n1C[C@H](C)[NH+]1CCOCC1 ZINC001315660561 1064858360 /nfs/dbraw/zinc/85/83/60/1064858360.db2.gz KIPSSBLTWDZQIR-KBWCOIMZSA-N 1 2 473.687 4.315 20 0 JIADLO COc1ccccc1SCc1nnc(N(C)Cc2ccc(C)o2)n1CC[N@@H+]1CCOCC1(C)C ZINC001315661253 1064860428 /nfs/dbraw/zinc/86/04/28/1064860428.db2.gz IFUPTVCIONHVMC-UHFFFAOYSA-N 1 2 485.654 4.228 20 0 JIADLO COc1ccccc1SCc1nnc(N(C)Cc2ccc(C)o2)n1CC[N@H+]1CCOCC1(C)C ZINC001315661253 1064860430 /nfs/dbraw/zinc/86/04/30/1064860430.db2.gz IFUPTVCIONHVMC-UHFFFAOYSA-N 1 2 485.654 4.228 20 0 JIADLO COc1ccccc1SCc1nnc(N2CCC[C@H](C(F)(F)F)C2)n1CC[N@@H+]1CCOC[C@H]1C ZINC001315665391 1064878321 /nfs/dbraw/zinc/87/83/21/1064878321.db2.gz BMLXIXPPZOJBCJ-MSOLQXFVSA-N 1 2 499.603 4.078 20 0 JIADLO COc1ccccc1SCc1nnc(N2CCC[C@H](C(F)(F)F)C2)n1CC[N@H+]1CCOC[C@H]1C ZINC001315665391 1064878323 /nfs/dbraw/zinc/87/83/23/1064878323.db2.gz BMLXIXPPZOJBCJ-MSOLQXFVSA-N 1 2 499.603 4.078 20 0 JIADLO COc1cc[nH+]cc1Cn1c(-c2ccc(Br)s2)nnc1N(C)CCCSC ZINC001315669605 1064897528 /nfs/dbraw/zinc/89/75/28/1064897528.db2.gz NSCIFHSVPHQGJG-UHFFFAOYSA-N 1 2 468.446 4.410 20 0 JIADLO COc1cc[nH+]cc1Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC(OCCC(C)C)CC1 ZINC001315669919 1064898121 /nfs/dbraw/zinc/89/81/21/1064898121.db2.gz REGSBNCITOMWCJ-UHFFFAOYSA-N 1 2 471.005 4.477 20 0 JIADLO COc1cc[nH+]cc1Cn1c(CCc2ccccc2)nnc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001315671201 1064900735 /nfs/dbraw/zinc/90/07/35/1064900735.db2.gz CGWLPARGIYYFHI-JOCHJYFZSA-N 1 2 492.624 4.009 20 0 JIADLO COc1cc[nH+]cc1Cn1c(-c2cccc(C)n2)nnc1N(C)Cc1ccc(Br)cc1 ZINC001315672332 1064903436 /nfs/dbraw/zinc/90/34/36/1064903436.db2.gz OSHLAKZYMLXFCH-UHFFFAOYSA-N 1 2 479.382 4.499 20 0 JIADLO COc1cc[nH+]cc1Cn1c(Cc2ccncc2)nnc1N(C)Cc1ccccc1C(F)(F)F ZINC001315672517 1064903517 /nfs/dbraw/zinc/90/35/17/1064903517.db2.gz TUQDNVHMVGSBEW-UHFFFAOYSA-N 1 2 468.483 4.371 20 0 JIADLO COc1cc[nH+]cc1Cn1c(Cc2c(F)cccc2F)nnc1N(C)Cc1cnc(C(C)C)nc1 ZINC001315672842 1064904024 /nfs/dbraw/zinc/90/40/24/1064904024.db2.gz ZMDJYMZCNUMFMJ-UHFFFAOYSA-N 1 2 479.535 4.149 20 0 JIADLO COc1cc[nH+]cc1Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCOC(C)(C)C1 ZINC001315673219 1064904872 /nfs/dbraw/zinc/90/48/72/1064904872.db2.gz VSQUWVGBYAVGLX-UHFFFAOYSA-N 1 2 465.598 4.222 20 0 JIADLO CO[C@@H]1CN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2Cc2ccc(N(C)C)[nH+]c2)CC[C@@H]1C ZINC001315711275 1064988011 /nfs/dbraw/zinc/98/80/11/1064988011.db2.gz APNIXZODMKGTSI-XZDHIHRUSA-N 1 2 478.641 4.405 20 0 JIADLO CO[C@@H]1CN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CCCNc2cccc[nH+]2)CC[C@@H]1C ZINC001315714553 1065002397 /nfs/dbraw/zinc/00/23/97/1065002397.db2.gz QMNDSVCXXUKZLZ-NNMXDRDESA-N 1 2 468.577 4.316 20 0 JIADLO CO[C@@H]1CN(c2nnc(-c3ccc(Cl)cc3F)n2Cc2ccc(N(C)C)[nH+]c2)CC1(C)C ZINC001315718013 1065011138 /nfs/dbraw/zinc/01/11/38/1065011138.db2.gz QSGADRXEXXQSOM-LJQANCHMSA-N 1 2 458.969 4.108 20 0 JIADLO COCC1(C)CCN(c2nnc([C@H]3CCCOC3)n2C[C@@H](c2c(F)cccc2F)[NH+](C)C)CC1 ZINC001315831820 1065196510 /nfs/dbraw/zinc/19/65/10/1065196510.db2.gz SGGDYWPNVKTUBF-RXVVDRJESA-N 1 2 477.600 4.006 20 0 JIADLO COCC1=CCN(c2nnc(Cc3ccsc3)n2C[C@@H](c2c(F)cccc2F)[NH+](C)C)CC1 ZINC001315866465 1065283689 /nfs/dbraw/zinc/28/36/89/1065283689.db2.gz SLHKNPFGVYODNV-NRFANRHFSA-N 1 2 473.593 4.294 20 0 JIADLO COC[C@H]1CCCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@@H](c2c(F)cccc2F)[NH+](C)C)C1 ZINC001315890169 1065346553 /nfs/dbraw/zinc/34/65/53/1065346553.db2.gz IAGHUXOXMDAAPG-JXFKEZNVSA-N 1 2 490.986 4.437 20 0 JIADLO COCCN(c1nnc(-c2ccc(Cl)nc2)n1Cc1ccc(N(C)C)[nH+]c1)[C@H]1CC[C@@H](C)C1 ZINC001316079464 1065723975 /nfs/dbraw/zinc/72/39/75/1065723975.db2.gz MOORQTAXAMJZCZ-XLIONFOSSA-N 1 2 470.021 4.144 20 0 JIADLO COCCO[C@@H](C)c1nnc(N2CCCC2(C)C)n1Cc1ccc(N2CCC(C)CC2)[nH+]c1 ZINC001316193306 1065885954 /nfs/dbraw/zinc/88/59/54/1065885954.db2.gz NNZCYMPOQWUCBU-FQEVSTJZSA-N 1 2 456.635 4.061 20 0 JIADLO COCCO[C@@H](C)c1nnc(N2CCCC[C@@H](C)C2)n1Cc1cc[nH+]c(N2CCCCC2)c1 ZINC001316196294 1065890965 /nfs/dbraw/zinc/89/09/65/1065890965.db2.gz BRAZKHCDNUIGKA-RTWAWAEBSA-N 1 2 456.635 4.062 20 0 JIADLO COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[C@H](C(F)F)C2)n1C[C@@H](c1c(F)cccc1F)[NH+](C)C ZINC001316290889 1066050816 /nfs/dbraw/zinc/05/08/16/1066050816.db2.gz PRJLTQHFLZGDMO-UGJIMAENSA-N 1 2 499.553 4.065 20 0 JIADLO CS[C@H](Cn1c(Cc2cccnc2)nnc1N1CC[NH+](Cc2cnc(C)s2)CC1)C(C)(C)C ZINC001316393079 1066167991 /nfs/dbraw/zinc/16/79/91/1066167991.db2.gz BUTUXSPLTWMDFL-OAQYLSRUSA-N 1 2 485.727 4.129 20 0 JIADLO CCC[N@@H+]1CCCC[C@H]1C(=O)Nc1ccc(Cl)c(S(=O)(=O)Nc2ccc(OC)cc2)c1 ZINC001324718321 1066228030 /nfs/dbraw/zinc/22/80/30/1066228030.db2.gz QIODXZMWVUKNHJ-FQEVSTJZSA-N 1 2 466.003 4.352 20 0 JIADLO CCC[N@H+]1CCCC[C@H]1C(=O)Nc1ccc(Cl)c(S(=O)(=O)Nc2ccc(OC)cc2)c1 ZINC001324718321 1066228060 /nfs/dbraw/zinc/22/80/60/1066228060.db2.gz QIODXZMWVUKNHJ-FQEVSTJZSA-N 1 2 466.003 4.352 20 0 JIADLO CSCC[C@@H](C)N(C)c1nnc(-c2ccc(C)o2)n1C[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC001316444202 1066310608 /nfs/dbraw/zinc/31/06/08/1066310608.db2.gz KWUHLSAYLUQDBV-KNQAVFIVSA-N 1 2 469.655 4.498 20 0 JIADLO Cc1cccc(-c2nnc(N(C)CC[NH+]3CCOCC3)n2Cc2ccc([C@H](F)C(F)(F)F)cc2)n1 ZINC001492503356 1066314562 /nfs/dbraw/zinc/31/45/62/1066314562.db2.gz FBNVMSBUBVISPI-NRFANRHFSA-N 1 2 492.521 4.038 20 0 JIADLO CSCCCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC001316460314 1066354840 /nfs/dbraw/zinc/35/48/40/1066354840.db2.gz DNQOGRKMCZAOBD-UHFFFAOYSA-N 1 2 472.062 4.091 20 0 JIADLO CSCCCn1c(-c2cccc(C)n2)nnc1N1CC[NH+](CCOc2ccccc2Cl)CC1 ZINC001316472760 1066380555 /nfs/dbraw/zinc/38/05/55/1066380555.db2.gz OZYDBNKWIXSYFA-UHFFFAOYSA-N 1 2 487.073 4.256 20 0 JIADLO Cc1ccc(-c2nnc(N3CCC[C@H](CNC(=O)C(C)C)C3)n2CCCc2cccc(C)[nH+]2)o1 ZINC001492525264 1066404874 /nfs/dbraw/zinc/40/48/74/1066404874.db2.gz OCVLUMIUHCATAC-OAQYLSRUSA-N 1 2 464.614 4.171 20 0 JIADLO Cc1cccc(CCCn2c(CN3CCCC3=O)nnc2N(C)Cc2ccccc2Br)[nH+]1 ZINC001492526680 1066416624 /nfs/dbraw/zinc/41/66/24/1066416624.db2.gz IDOWTPNYAVPVHS-UHFFFAOYSA-N 1 2 497.441 4.136 20 0 JIADLO Cc1cccc(CCCn2c(COc3ccc(F)cc3)nnc2N2CCC(O)(C(F)(F)F)CC2)[nH+]1 ZINC001492527256 1066419623 /nfs/dbraw/zinc/41/96/23/1066419623.db2.gz DDHJZUGWNMVILV-UHFFFAOYSA-N 1 2 493.505 4.226 20 0 JIADLO Cc1cccc(CCCn2c([C@H]3CCCO3)nnc2N(C)Cc2ccc(Br)o2)[nH+]1 ZINC001492527644 1066423737 /nfs/dbraw/zinc/42/37/37/1066423737.db2.gz ONXJQHVDOGOFHP-GOSISDBHSA-N 1 2 460.376 4.458 20 0 JIADLO COc1ccc(-c2cc(NC(=O)NC[C@H]3C[N@H+](Cc4ccccc4)CCO3)ccc2OC)cc1 ZINC001337395748 1066478392 /nfs/dbraw/zinc/47/83/92/1066478392.db2.gz KSIPUQNAVZQXKD-DEOSSOPVSA-N 1 2 461.562 4.393 20 0 JIADLO COc1ccc(-c2cc(NC(=O)NC[C@H]3C[N@@H+](Cc4ccccc4)CCO3)ccc2OC)cc1 ZINC001337395748 1066478410 /nfs/dbraw/zinc/47/84/10/1066478410.db2.gz KSIPUQNAVZQXKD-DEOSSOPVSA-N 1 2 461.562 4.393 20 0 JIADLO Cc1cccc(CCCOCCOC(=O)C2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)[nH+]1 ZINC001341850292 1066590294 /nfs/dbraw/zinc/59/02/94/1066590294.db2.gz MSPNYEMKBMREJB-UHFFFAOYSA-N 1 2 496.629 4.137 20 0 JIADLO Cc1ccc2c(c1)C(=O)N(CC(=O)O[C@H](Cn1cc[nH+]c1)c1ccc(Cl)cc1Cl)C2=O ZINC001343799566 1066619787 /nfs/dbraw/zinc/61/97/87/1066619787.db2.gz KHPFBYBLPFDQTH-LJQANCHMSA-N 1 2 458.301 4.079 20 0 JIADLO O=C(O[C@@H](Cn1cc[nH+]c1)c1ccc(Cl)cc1Cl)c1ccc2c(c1)nc1n(c2=O)CCC1 ZINC001345825504 1066647612 /nfs/dbraw/zinc/64/76/12/1066647612.db2.gz VONPGLIHSRSWHS-FQEVSTJZSA-N 1 2 469.328 4.444 20 0 JIADLO O=C(O[C@H](Cn1cc[nH+]c1)c1ccc(Cl)cc1Cl)c1cccc(S(=O)(=O)NC2CC2)c1 ZINC001346315269 1066659780 /nfs/dbraw/zinc/65/97/80/1066659780.db2.gz YPWUGSDBHFURHI-HXUWFJFHSA-N 1 2 480.373 4.229 20 0 JIADLO Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)C2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)C1 ZINC001348013230 1066712887 /nfs/dbraw/zinc/71/28/87/1066712887.db2.gz BYEQVOMGCDBXSI-OAHLLOKOSA-N 1 2 469.939 4.185 20 0 JIADLO C[NH+]1CCN(C(=O)c2ccccc2NC(=O)c2csc(Cc3ccc(Cl)cc3)n2)CC1 ZINC001317874221 1066747801 /nfs/dbraw/zinc/74/78/01/1066747801.db2.gz LJENXOBHWPGNGZ-UHFFFAOYSA-N 1 2 454.983 4.027 20 0 JIADLO CCCN(Cc1nc2ccsc2c(=O)[nH]1)C(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001317886381 1066755528 /nfs/dbraw/zinc/75/55/28/1066755528.db2.gz HBLGZDOHYFEQJC-CALCHBBNSA-N 1 2 469.611 4.450 20 0 JIADLO CCCN(Cc1nc2ccsc2c(=O)[nH]1)C(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001317886381 1066755539 /nfs/dbraw/zinc/75/55/39/1066755539.db2.gz HBLGZDOHYFEQJC-CALCHBBNSA-N 1 2 469.611 4.450 20 0 JIADLO CCOC(=O)c1c(NC(=O)Cn2c(C)[nH+]c3cc(F)c(F)cc32)sc2c1CCSC2 ZINC001349217586 1066821228 /nfs/dbraw/zinc/82/12/28/1066821228.db2.gz JFMOBJGMXVXABA-UHFFFAOYSA-N 1 2 451.520 4.289 20 0 JIADLO O=C(c1cccc(Sc2cccc(Br)c2)n1)N1CCN(c2cccc[nH+]2)CC1 ZINC001349963368 1066900221 /nfs/dbraw/zinc/90/02/21/1066900221.db2.gz NNNUTPMZYFRRSV-UHFFFAOYSA-N 1 2 455.381 4.353 20 0 JIADLO CCOc1ccc(CN(CCCn2cc[nH+]c2)C(=O)N[C@H]2CCCN(C(=O)c3ccccc3)C2)cc1 ZINC001318175420 1066940317 /nfs/dbraw/zinc/94/03/17/1066940317.db2.gz MNWCSHDDOPIYSI-VWLOTQADSA-N 1 2 489.620 4.189 20 0 JIADLO CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc2nc(C[NH+]3CCCCC3)[nH]c2c1 ZINC001318229245 1066972533 /nfs/dbraw/zinc/97/25/33/1066972533.db2.gz CIRJSLGYAZUEBH-SFHVURJKSA-N 1 2 461.632 4.134 20 0 JIADLO O=C(Nc1ccc2nc(C[NH+]3CCCCC3)[nH]c2c1)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O ZINC001318262922 1066990218 /nfs/dbraw/zinc/99/02/18/1066990218.db2.gz QEHBBMWYJUIUDX-UHFFFAOYSA-N 1 2 483.528 4.190 20 0 JIADLO COc1cc(/C=C2\CCc3c2nc2ccccc2c3C(=O)NCCc2[nH+]ccn2C)cc(OC)c1OC ZINC001350868526 1067012658 /nfs/dbraw/zinc/01/26/58/1067012658.db2.gz HFRVMKJSKQHTGS-XDJHFCHBSA-N 1 2 498.583 4.453 20 0 JIADLO O=C(C[NH+]1CCC([C@@H]2C(=O)Nc3ccccc32)CC1)N1N=C(c2ccco2)C[C@H]1c1cccs1 ZINC001318338247 1067022615 /nfs/dbraw/zinc/02/26/15/1067022615.db2.gz OHOYZNWKNZYWML-OFVILXPXSA-N 1 2 474.586 4.467 20 0 JIADLO COc1cc[nH+]cc1Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N(C)[C@@H]1CCC[C@@H](C)C1 ZINC001300686078 1067028589 /nfs/dbraw/zinc/02/85/89/1067028589.db2.gz BSDNBNJNJAVHJY-DYESRHJHSA-N 1 2 483.016 4.328 20 0 JIADLO COc1cc[nH+]cc1Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N(C)Cc1cscn1 ZINC001300686816 1067029701 /nfs/dbraw/zinc/02/97/01/1067029701.db2.gz GTJICRDHVAXLAC-OAHLLOKOSA-N 1 2 454.531 4.102 20 0 JIADLO COc1cc[nH+]cc1Cn1c(C(=O)NC(C)C)nnc1N(Cc1cccs1)Cc1cccs1 ZINC001300687836 1067031392 /nfs/dbraw/zinc/03/13/92/1067031392.db2.gz TZWGLMQSVVMEKB-UHFFFAOYSA-N 1 2 482.635 4.198 20 0 JIADLO COc1cc[nH+]cc1Cn1c(-c2ccc(OC)c(OC)c2)nnc1N(C)[C@@H]1CCC[C@H](C)C1 ZINC001300693180 1067043463 /nfs/dbraw/zinc/04/34/63/1067043463.db2.gz QIYHGYVEALDORE-FXAWDEMLSA-N 1 2 451.571 4.429 20 0 JIADLO COc1cc[nH+]cc1Cn1c(-c2ccccc2Br)nnc1N(C)C[C@H]1CCCCO1 ZINC001300693185 1067044093 /nfs/dbraw/zinc/04/40/93/1067044093.db2.gz QKHOHMHCABDNBD-QGZVFWFLSA-N 1 2 472.387 4.165 20 0 JIADLO COc1cc[nH+]cc1Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC(CNC(C)=O)CC1 ZINC001300693945 1067047137 /nfs/dbraw/zinc/04/71/37/1067047137.db2.gz LMEMDJGOBUHNMI-UHFFFAOYSA-N 1 2 476.625 4.047 20 0 JIADLO COc1cc[nH+]cc1Cn1c(CNC(=O)c2cccs2)nnc1N(C)[C@@H](C)c1ccccc1C ZINC001300695081 1067050582 /nfs/dbraw/zinc/05/05/82/1067050582.db2.gz KICCFBFILMKVOA-SFHVURJKSA-N 1 2 476.606 4.227 20 0 JIADLO COc1cc[nH+]cc1Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)CCC(C)C ZINC001300696209 1067053245 /nfs/dbraw/zinc/05/32/45/1067053245.db2.gz BCXKJXHOXWXGPV-LJQANCHMSA-N 1 2 472.634 4.327 20 0 JIADLO COc1cc[nH+]cc1Cn1c(CC(C)C)nnc1N1CCC([C@H](O)c2ccc(F)cc2)CC1 ZINC001300697768 1067055621 /nfs/dbraw/zinc/05/56/21/1067055621.db2.gz SOGIYOGZEQQUMI-XMMPIXPASA-N 1 2 453.562 4.018 20 0 JIADLO COc1cc[nH+]cc1Cn1c([C@H]2CCCCO2)nnc1N(C)CCOc1ccc(Cl)cc1 ZINC001300698361 1067057765 /nfs/dbraw/zinc/05/77/65/1067057765.db2.gz ZCCHZARVRPCKRH-OAQYLSRUSA-N 1 2 457.962 4.140 20 0 JIADLO COc1cc[nH+]cc1Cn1c(CSc2ccc(C)cc2)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 ZINC001300701515 1067060900 /nfs/dbraw/zinc/06/09/00/1067060900.db2.gz BLAGNVUIODLRTO-NRFANRHFSA-N 1 2 494.665 4.072 20 0 JIADLO COc1cc[nH+]cc1Cn1c(CSc2ccc(C)cc2)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 ZINC001300701517 1067061392 /nfs/dbraw/zinc/06/13/92/1067061392.db2.gz BLAGNVUIODLRTO-OAQYLSRUSA-N 1 2 494.665 4.072 20 0 JIADLO COc1cc[nH+]cc1Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CC[C@H](CC(C)C)C1 ZINC001300701871 1067062862 /nfs/dbraw/zinc/06/28/62/1067062862.db2.gz KJGYCUMXFVFOEX-SBHAEUEKSA-N 1 2 484.645 4.373 20 0 JIADLO COc1cc[nH+]cc1Cn1c(COc2ccc(Cl)cc2)nnc1N1CCSC(C)(C)C1 ZINC001300702403 1067064607 /nfs/dbraw/zinc/06/46/07/1067064607.db2.gz RKXHJDCBUZLLTQ-UHFFFAOYSA-N 1 2 460.003 4.294 20 0 JIADLO COc1cc[nH+]cc1Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCS[C@@H](C)[C@@H]1C ZINC001300702871 1067066658 /nfs/dbraw/zinc/06/66/58/1067066658.db2.gz XSQDDHHZJANKBI-OALUTQOASA-N 1 2 453.612 4.256 20 0 JIADLO CC(C)(COc1cc(Cl)cc(Cl)c1)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001351355997 1067083023 /nfs/dbraw/zinc/08/30/23/1067083023.db2.gz ZLFBGSYIJIKXRV-NRFANRHFSA-N 1 2 451.394 4.416 20 0 JIADLO CC(C)(COc1cc(Cl)cc(Cl)c1)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001351355997 1067083047 /nfs/dbraw/zinc/08/30/47/1067083047.db2.gz ZLFBGSYIJIKXRV-NRFANRHFSA-N 1 2 451.394 4.416 20 0 JIADLO CN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)C[N@@H+]1CCc2cc(C(C)(C)C)ccc2C1 ZINC001320277064 1067089228 /nfs/dbraw/zinc/08/92/28/1067089228.db2.gz VEIXCRFIEKYTCK-UHFFFAOYSA-N 1 2 461.528 4.458 20 0 JIADLO CN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)C[N@H+]1CCc2cc(C(C)(C)C)ccc2C1 ZINC001320277064 1067089243 /nfs/dbraw/zinc/08/92/43/1067089243.db2.gz VEIXCRFIEKYTCK-UHFFFAOYSA-N 1 2 461.528 4.458 20 0 JIADLO COc1ccc(C[C@@H](C)N(C)C(=O)NCc2cc[nH+]c(N3CCN(c4ccc(F)cc4)CC3)c2)cc1 ZINC001320975716 1067097067 /nfs/dbraw/zinc/09/70/67/1067097067.db2.gz NUCQEHYENLRPGS-OAQYLSRUSA-N 1 2 491.611 4.329 20 0 JIADLO C[C@H]1C[NH+](Cc2ccccc2NC(=O)c2cnc(OC3CCOCC3)c(Cl)c2)C[C@H](C)O1 ZINC001354797823 1067113220 /nfs/dbraw/zinc/11/32/20/1067113220.db2.gz OOIMBAOHNJWEIG-IRXDYDNUSA-N 1 2 459.974 4.154 20 0 JIADLO CCOc1ccccc1C(=O)N1CCC[C@@H]1C(=O)Nc1ccc2nc(C[NH+]3CCCCC3)[nH]c2c1 ZINC001321485362 1067142949 /nfs/dbraw/zinc/14/29/49/1067142949.db2.gz HLWFPAXPMGAHAF-HSZRJFAPSA-N 1 2 475.593 4.191 20 0 JIADLO O=C(Nc1nc2ccccc2n1CCCn1cc[nH+]c1)c1cnc2scc(-c3ccccc3)n2c1=O ZINC001321530861 1067157599 /nfs/dbraw/zinc/15/75/99/1067157599.db2.gz OFQVXKUEOBSPLL-UHFFFAOYSA-N 1 2 495.568 4.312 20 0 JIADLO Cc1cc(C(=O)N2CCCC[C@@H]2C)ccc1NC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001322063318 1067245775 /nfs/dbraw/zinc/24/57/75/1067245775.db2.gz KRNRAEDUOMMAMQ-XUZZJYLKSA-N 1 2 464.610 4.032 20 0 JIADLO Cc1cc(C(=O)N2CCCC[C@@H]2C)ccc1NC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001322063318 1067245788 /nfs/dbraw/zinc/24/57/88/1067245788.db2.gz KRNRAEDUOMMAMQ-XUZZJYLKSA-N 1 2 464.610 4.032 20 0 JIADLO CC(C)(C)OC(=O)NCc1ccccc1CNC(=O)[C@@H](c1ccccc1)[NH+]1CCSCC1 ZINC001322279531 1067269920 /nfs/dbraw/zinc/26/99/20/1067269920.db2.gz OQZPPAGWWSIUPQ-JOCHJYFZSA-N 1 2 455.624 4.118 20 0 JIADLO O=C(Nc1ccc2nc(C[NH+]3CCCCC3)[nH]c2c1)[C@H]1CCCN1c1ncnc2sccc21 ZINC001322450354 1067295096 /nfs/dbraw/zinc/29/50/96/1067295096.db2.gz WDTNDFKNADEHGX-HXUWFJFHSA-N 1 2 461.595 4.161 20 0 JIADLO CCc1ccc(-c2nc(C(=O)OCC(=O)N3CCN(c4cc(C)[nH+]c(C(C)C)n4)CC3)cs2)cc1 ZINC001323904812 1067329253 /nfs/dbraw/zinc/32/92/53/1067329253.db2.gz LINZBJQOZAQBOO-UHFFFAOYSA-N 1 2 493.633 4.100 20 0 JIADLO CS(=O)(=O)c1cccc([C@H]([NH2+]Cc2ccc(N3CCCC3)nc2)c2ccc(F)c(F)c2)c1 ZINC001200844666 1067340508 /nfs/dbraw/zinc/34/05/08/1067340508.db2.gz KIHRURODCGWXPZ-DEOSSOPVSA-N 1 2 457.546 4.243 20 0 JIADLO Cc1ccccc1C(=O)NC1CCN(c2nnc(CC(C)C)n2CCCNc2cccc[nH+]2)CC1 ZINC001492553477 1067347570 /nfs/dbraw/zinc/34/75/70/1067347570.db2.gz KYTDWPQDBLMBPH-UHFFFAOYSA-N 1 2 475.641 4.081 20 0 JIADLO COc1ccc(-c2nnc(N(C)CCCSC)n2C[C@H]2CCCn3cc(C)[nH+]c32)cc1OC ZINC001300014607 1067371502 /nfs/dbraw/zinc/37/15/02/1067371502.db2.gz GFECRRSUCVAVJD-LJQANCHMSA-N 1 2 470.643 4.234 20 0 JIADLO COc1ccc(-c2nnc(N3CC[C@@H](C)[C@H]3C)n2Cc2ccc(N(C)C)[nH+]c2)cc1Br ZINC001300035772 1067442642 /nfs/dbraw/zinc/44/26/42/1067442642.db2.gz DKKBRHVXPPCGCU-HZPDHXFCSA-N 1 2 485.430 4.460 20 0 JIADLO COc1ccc(-c2nnc(N3CCc4c(cc[nH+]c4N(C)C)C3)n2CCC(C)(F)F)cc1OC ZINC001300047578 1067501520 /nfs/dbraw/zinc/50/15/20/1067501520.db2.gz HEMRQQQKTBUPBS-UHFFFAOYSA-N 1 2 472.540 4.031 20 0 JIADLO Cc1csc(C(=O)Nc2ccccc2OCCn2cc[nH+]c2)c1I ZINC001355704650 1067556551 /nfs/dbraw/zinc/55/65/51/1067556551.db2.gz RHYAPUDSOBDGMW-UHFFFAOYSA-N 1 2 453.305 4.189 20 0 JIADLO COc1ccc(CCNC(=S)NCc2c[nH+]cn2Cc2cccc(C(F)(F)F)c2)cc1OC ZINC001200089684 1067587695 /nfs/dbraw/zinc/58/76/95/1067587695.db2.gz VOMLPMBJGQADHW-UHFFFAOYSA-N 1 2 478.540 4.174 20 0 JIADLO C[NH+](C)[C@H](C(=O)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1)c1cccc(Cl)c1 ZINC001352668744 1067617759 /nfs/dbraw/zinc/61/77/59/1067617759.db2.gz IVKRQBOIDCRKRC-NRFANRHFSA-N 1 2 450.004 4.146 20 0 JIADLO CCn1nccc1C(=O)N1CC[NH+](Cc2ccc(-c3ccc(Br)cc3)s2)CC1 ZINC001352671290 1067619076 /nfs/dbraw/zinc/61/90/76/1067619076.db2.gz QDJKWSORVOZEMP-UHFFFAOYSA-N 1 2 459.413 4.352 20 0 JIADLO COCC[C@@H](Cc1cccc(Br)c1)C(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC001356008944 1067632310 /nfs/dbraw/zinc/63/23/10/1067632310.db2.gz NVHUTHVKJORJOB-IBGZPJMESA-N 1 2 451.430 4.050 20 0 JIADLO Cc1ccccc1-c1nnc(N(C)CCNC(=O)C(C)C)n1Cc1ccc(N2CCC(C)CC2)[nH+]c1 ZINC001492559657 1067885708 /nfs/dbraw/zinc/88/57/08/1067885708.db2.gz JNPKKAAJBDEIJC-UHFFFAOYSA-N 1 2 489.668 4.142 20 0 JIADLO CO[C@H](c1ccc(Br)cc1)[C@@H](C)NC(=O)Cn1c(C)[nH+]c2cc(F)c(F)cc21 ZINC001357730380 1067892122 /nfs/dbraw/zinc/89/21/22/1067892122.db2.gz CQBATFWHSFMLLC-GIPWTMENSA-N 1 2 452.299 4.278 20 0 JIADLO CCCOc1ccc(C(C)(C)C)cc1S(=O)(=O)N1Cc2c[nH+]cn2C[C@H](COCC2CC2)C1 ZINC001200267576 1067906302 /nfs/dbraw/zinc/90/63/02/1067906302.db2.gz OHIASVGBHBNQRU-FQEVSTJZSA-N 1 2 475.655 4.217 20 0 JIADLO COc1ccc(C[NH+]2CCN(c3nnc(C(C)(C)C)n3CCCCOC(C)C)CC2)cc1F ZINC001300231449 1067914342 /nfs/dbraw/zinc/91/43/42/1067914342.db2.gz ZCNRPYRMILCGPN-UHFFFAOYSA-N 1 2 461.626 4.251 20 0 JIADLO COc1ccc(C[NH+]2CCN(c3nnc(CC(C)C)n3C[C@H]3CCCO[C@@H]3C(C)C)CC2)cc1F ZINC001300232267 1067918348 /nfs/dbraw/zinc/91/83/48/1067918348.db2.gz QUJZJIMQVAKGGN-ATIYNZHBSA-N 1 2 487.664 4.398 20 0 JIADLO COc1ccc(C[NH+]2CCN(c3nnc(CC(C)(C)C)n3C[C@H]3CCOC[C@H]3C)CC2)cc1F ZINC001300232571 1067920559 /nfs/dbraw/zinc/92/05/59/1067920559.db2.gz ZCUBMCDVDCBXQP-TZIWHRDSSA-N 1 2 473.637 4.009 20 0 JIADLO CCc1ccc(Br)cc1C(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1C[N@H+](C)CCO1 ZINC001358072658 1068010133 /nfs/dbraw/zinc/01/01/33/1068010133.db2.gz QEMNSKZVZPCRQR-WOJBJXKFSA-N 1 2 451.792 4.467 20 0 JIADLO CCc1ccc(Br)cc1C(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC001358072658 1068010148 /nfs/dbraw/zinc/01/01/48/1068010148.db2.gz QEMNSKZVZPCRQR-WOJBJXKFSA-N 1 2 451.792 4.467 20 0 JIADLO CN(C)c1cc(C(=O)N[C@@H](c2ccc(Cl)cc2)[C@H]2C[N@H+](C)CCO2)cc(C(F)(F)F)c1 ZINC001358073046 1068010551 /nfs/dbraw/zinc/01/05/51/1068010551.db2.gz RVPLZAXLDYHHCD-UXHICEINSA-N 1 2 455.908 4.227 20 0 JIADLO CN(C)c1cc(C(=O)N[C@@H](c2ccc(Cl)cc2)[C@H]2C[N@@H+](C)CCO2)cc(C(F)(F)F)c1 ZINC001358073046 1068010569 /nfs/dbraw/zinc/01/05/69/1068010569.db2.gz RVPLZAXLDYHHCD-UXHICEINSA-N 1 2 455.908 4.227 20 0 JIADLO C[C@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)c1cncc(-c2ccc(N(C)C)cc2)c1 ZINC001358073545 1068011188 /nfs/dbraw/zinc/01/11/88/1068011188.db2.gz YWBUSZAMPBVWLT-JOCHJYFZSA-N 1 2 458.606 4.178 20 0 JIADLO COc1ccc(/C=C(/C)C(=O)N2CC[NH+](Cc3ccc(OC(F)(F)F)cc3)CC2)cc1F ZINC001358124585 1068025890 /nfs/dbraw/zinc/02/58/90/1068025890.db2.gz QJDHDHDVUSWDAZ-SSZFMOIBSA-N 1 2 452.448 4.481 20 0 JIADLO COc1ccc(OCc2nnc(N(C)CCC(F)(F)F)n2Cc2ccc(N3CCCC3)[nH+]c2)cc1 ZINC001300268046 1068041247 /nfs/dbraw/zinc/04/12/47/1068041247.db2.gz RUDXKDFFTJJKDS-UHFFFAOYSA-N 1 2 490.530 4.298 20 0 JIADLO COc1ccc(OCc2nnc(N3C[C@H](C)C[C@H](C)C3)n2CCCNc2cccc[nH+]2)cc1 ZINC001300268764 1068043407 /nfs/dbraw/zinc/04/34/07/1068043407.db2.gz GUYMKGKKQDGPDR-BGYRXZFFSA-N 1 2 450.587 4.245 20 0 JIADLO COc1ccc(OCc2nnc(N3C[C@H](C)C[C@@H](C)C3)n2CCCNc2cccc[nH+]2)cc1 ZINC001300268771 1068044189 /nfs/dbraw/zinc/04/41/89/1068044189.db2.gz GUYMKGKKQDGPDR-WOJBJXKFSA-N 1 2 450.587 4.245 20 0 JIADLO FC(F)(F)c1nc2n(c1C[NH2+]Cc1nnc3c(Cl)cc(C(F)(F)F)cn13)CCCC2 ZINC001200323929 1068077118 /nfs/dbraw/zinc/07/71/18/1068077118.db2.gz XSRVSCAHYJDKLE-UHFFFAOYSA-N 1 2 452.790 4.243 20 0 JIADLO COc1ccc(OCc2nnc(N3CCO[C@@](C)(C(C)(C)C)C3)n2CCCNc2cccc[nH+]2)cc1 ZINC001300297136 1068128570 /nfs/dbraw/zinc/12/85/70/1068128570.db2.gz SKEWTVXIWAKHFH-HHHXNRCGSA-N 1 2 494.640 4.404 20 0 JIADLO CC(C)(C)c1nnc(NC(=O)C(=O)NCc2ccccc2-c2ccc(Cn3cc[nH+]c3)cc2)s1 ZINC000510296777 1068169753 /nfs/dbraw/zinc/16/97/53/1068169753.db2.gz DXZPCBHGQFLKMN-UHFFFAOYSA-N 1 2 474.590 4.002 20 0 JIADLO COCCn1ccc(NC(=O)N2CC[NH+](Cc3ccc(-c4cccc(Cl)c4)s3)CC2)n1 ZINC000513921997 1068249772 /nfs/dbraw/zinc/24/97/72/1068249772.db2.gz KYZQDDHYFFAZRU-UHFFFAOYSA-N 1 2 460.003 4.261 20 0 JIADLO Cc1ccc(S[C@@H](C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)c2ccccc2)c(C)c1 ZINC000518244925 1068304784 /nfs/dbraw/zinc/30/47/84/1068304784.db2.gz LKBQEGMEWYFPJK-XMMPIXPASA-N 1 2 450.608 4.304 20 0 JIADLO COc1ccc(C[NH2+][C@@H](C)c2cc(F)ccc2N2CCC(O)CC2)c(Br)c1O ZINC001200390785 1068364470 /nfs/dbraw/zinc/36/44/70/1068364470.db2.gz QJQODRGESIMLMR-ZDUSSCGKSA-N 1 2 453.352 4.114 20 0 JIADLO COc1ccccc1-c1nnc(N2CCc3c(cc[nH+]c3N(C)C)C2)n1C[C@](C)(O)CCC(C)C ZINC001300494471 1068862486 /nfs/dbraw/zinc/86/24/86/1068862486.db2.gz QHJWZKNLGWLHIN-HHHXNRCGSA-N 1 2 478.641 4.165 20 0 JIADLO Cc1cccc(C[N@@H+]2CCO[C@@H](CNC(=O)Nc3ccc(F)cc3OCC(F)(F)F)C2)c1 ZINC001200570192 1068915033 /nfs/dbraw/zinc/91/50/33/1068915033.db2.gz JWMPYXKCELEOKJ-SFHVURJKSA-N 1 2 455.452 4.098 20 0 JIADLO Cc1cccc(C[N@H+]2CCO[C@@H](CNC(=O)Nc3ccc(F)cc3OCC(F)(F)F)C2)c1 ZINC001200570192 1068915046 /nfs/dbraw/zinc/91/50/46/1068915046.db2.gz JWMPYXKCELEOKJ-SFHVURJKSA-N 1 2 455.452 4.098 20 0 JIADLO CC(C)Cn1cc([C@H]2[N@H+](Cc3c(Cl)cccc3N3CCOCC3)CC23CCOCC3)cn1 ZINC000849480579 1069049577 /nfs/dbraw/zinc/04/95/77/1069049577.db2.gz HCPYBLPZOHBEOC-XMMPIXPASA-N 1 2 459.034 4.383 20 0 JIADLO CC(C)Cn1cc([C@H]2[N@@H+](Cc3c(Cl)cccc3N3CCOCC3)CC23CCOCC3)cn1 ZINC000849480579 1069049581 /nfs/dbraw/zinc/04/95/81/1069049581.db2.gz HCPYBLPZOHBEOC-XMMPIXPASA-N 1 2 459.034 4.383 20 0 JIADLO CC[C@H](C(=O)NC[C@H](c1ccc(SC)cc1)[N@@H+]1CCc2sccc2C1)N1CCCC1=O ZINC001354347067 1069128571 /nfs/dbraw/zinc/12/85/71/1069128571.db2.gz NAHXYPUMBJEBTE-NHCUHLMSSA-N 1 2 457.665 4.087 20 0 JIADLO CC[C@H](C(=O)NC[C@H](c1ccc(SC)cc1)[N@H+]1CCc2sccc2C1)N1CCCC1=O ZINC001354347067 1069128578 /nfs/dbraw/zinc/12/85/78/1069128578.db2.gz NAHXYPUMBJEBTE-NHCUHLMSSA-N 1 2 457.665 4.087 20 0 JIADLO CN(C)c1ccc([NH+]2CCC(NC(=O)[C@H]3CC[C@H](C4CC4)N3C(=O)OC(C)(C)C)CC2)cc1 ZINC001354414820 1069199869 /nfs/dbraw/zinc/19/98/69/1069199869.db2.gz OLUOUJGXNXFQNV-DHIUTWEWSA-N 1 2 456.631 4.016 20 0 JIADLO FC(F)(c1ccc2ncnc(Cl)c2n1)N1CCO[C@H](c2[nH+]cn3c2cccc3Br)C1 ZINC001164422094 718890622 /nfs/dbraw/zinc/89/06/22/718890622.db2.gz ZSROFTYMMQMQRJ-ZDUSSCGKSA-N 1 2 495.715 4.211 20 0 JIADLO C[C@H]1C[N@H+](C)[C@@H](C)CN1C(F)(F)c1ccccc1S(=O)(=O)Nc1nc2ccccc2nc1Cl ZINC001164635336 719238657 /nfs/dbraw/zinc/23/86/57/719238657.db2.gz PRGBXKMVAOLKMD-GJZGRUSLSA-N 1 2 495.983 4.158 20 0 JIADLO C[C@H]1C[N@@H+](C)[C@@H](C)CN1C(F)(F)c1ccccc1S(=O)(=O)Nc1nc2ccccc2nc1Cl ZINC001164635336 719238659 /nfs/dbraw/zinc/23/86/59/719238659.db2.gz PRGBXKMVAOLKMD-GJZGRUSLSA-N 1 2 495.983 4.158 20 0 JIADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nc(Cl)nc3ncsc31)CC2 ZINC001164658196 719350611 /nfs/dbraw/zinc/35/06/11/719350611.db2.gz FLORETNLFRQTCM-UHFFFAOYSA-N 1 2 466.014 4.434 20 0 JIADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nc(Cl)nc3ncsc31)CC2 ZINC001164658196 719350615 /nfs/dbraw/zinc/35/06/15/719350615.db2.gz FLORETNLFRQTCM-UHFFFAOYSA-N 1 2 466.014 4.434 20 0 JIADLO CCOC(=O)c1c(C)ccnc1N1CCC2(CC1)c1ncc(-c3ccccc3)n1CC[N@H+]2CC ZINC001164658039 719352626 /nfs/dbraw/zinc/35/26/26/719352626.db2.gz BWAZBQFEJPPFGE-UHFFFAOYSA-N 1 2 459.594 4.261 20 0 JIADLO CCOC(=O)c1c(C)ccnc1N1CCC2(CC1)c1ncc(-c3ccccc3)n1CC[N@@H+]2CC ZINC001164658039 719352631 /nfs/dbraw/zinc/35/26/31/719352631.db2.gz BWAZBQFEJPPFGE-UHFFFAOYSA-N 1 2 459.594 4.261 20 0 JIADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ncc(Cl)c(C(=O)OC)c1OC)CC2 ZINC001164658882 719353039 /nfs/dbraw/zinc/35/30/39/719353039.db2.gz LAOINRZUGKPHRU-UHFFFAOYSA-N 1 2 496.011 4.225 20 0 JIADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ncc(Cl)c(C(=O)OC)c1OC)CC2 ZINC001164658882 719353041 /nfs/dbraw/zinc/35/30/41/719353041.db2.gz LAOINRZUGKPHRU-UHFFFAOYSA-N 1 2 496.011 4.225 20 0 JIADLO O=C(c1cccnc1N1CCC2(CC1)COCC[N@H+]2Cc1ccc(F)cc1)N1CCc2ccccc21 ZINC001164673959 719521099 /nfs/dbraw/zinc/52/10/99/719521099.db2.gz VPIHYDPAYUSORI-UHFFFAOYSA-N 1 2 486.591 4.295 20 0 JIADLO O=C(c1cccnc1N1CCC2(CC1)COCC[N@@H+]2Cc1ccc(F)cc1)N1CCc2ccccc21 ZINC001164673959 719521112 /nfs/dbraw/zinc/52/11/12/719521112.db2.gz VPIHYDPAYUSORI-UHFFFAOYSA-N 1 2 486.591 4.295 20 0 JIADLO NC(=O)c1ccc(-c2c[nH+]c3n2CCC32CCN(C(F)(F)COc3ccnc(Cl)c3)CC2)cc1 ZINC001164698098 719830067 /nfs/dbraw/zinc/83/00/67/719830067.db2.gz QCRKICQILHBGTI-UHFFFAOYSA-N 1 2 487.938 4.107 20 0 JIADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1cnc(-c2ccccc2)c(-c2ccccc2)n1 ZINC001164705631 719852836 /nfs/dbraw/zinc/85/28/36/719852836.db2.gz VAVIEEQIBPPJRA-NEKDWFFYSA-N 1 2 472.589 4.043 20 0 JIADLO CC(=O)NC[C@@H]1c2[nH+]cn(C(C)C)c2CCN1C(F)(F)c1ccc2c(Cl)nc(Cl)nc2c1 ZINC001164724601 720314959 /nfs/dbraw/zinc/31/49/59/720314959.db2.gz RWNYKBZAADWDBK-QGZVFWFLSA-N 1 2 483.350 4.499 20 0 JIADLO CC(=O)NC[C@@H]1c2[nH+]cn(C(C)C)c2CCN1C(F)(F)c1cc(-c2ccccc2)nnc1Cl ZINC001164726156 720316563 /nfs/dbraw/zinc/31/65/63/720316563.db2.gz YFKQIZAQYGZJCA-HXUWFJFHSA-N 1 2 474.943 4.359 20 0 JIADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4nc(Cl)cc5ccc(F)cc54)CC3)C2=O)cs1 ZINC001164823249 720364777 /nfs/dbraw/zinc/36/47/77/720364777.db2.gz CRFBVSHSIDXCNH-UHFFFAOYSA-N 1 2 474.005 4.105 20 0 JIADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4nc(Cl)cc5ccc(F)cc54)CC3)C2=O)cs1 ZINC001164823249 720364783 /nfs/dbraw/zinc/36/47/83/720364783.db2.gz CRFBVSHSIDXCNH-UHFFFAOYSA-N 1 2 474.005 4.105 20 0 JIADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4cc(Cl)nc5cc(C)ccc54)CC3)C2=O)cs1 ZINC001164821010 720373006 /nfs/dbraw/zinc/37/30/06/720373006.db2.gz VOMMPIFYDPAFPS-UHFFFAOYSA-N 1 2 470.042 4.275 20 0 JIADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4cc(Cl)nc5cc(C)ccc54)CC3)C2=O)cs1 ZINC001164821010 720373015 /nfs/dbraw/zinc/37/30/15/720373015.db2.gz VOMMPIFYDPAFPS-UHFFFAOYSA-N 1 2 470.042 4.275 20 0 JIADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4cc(C(C)(C)C)nc(C(C)(C)C)n4)CC3)C2=O)cs1 ZINC001164819308 720379748 /nfs/dbraw/zinc/37/97/48/720379748.db2.gz BRRAPUBZCCFXPT-UHFFFAOYSA-N 1 2 484.714 4.150 20 0 JIADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4cc(C(C)(C)C)nc(C(C)(C)C)n4)CC3)C2=O)cs1 ZINC001164819308 720379753 /nfs/dbraw/zinc/37/97/53/720379753.db2.gz BRRAPUBZCCFXPT-UHFFFAOYSA-N 1 2 484.714 4.150 20 0 JIADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4nc(Cl)cc5cccc(F)c54)CC3)C2=O)cs1 ZINC001164826082 720385674 /nfs/dbraw/zinc/38/56/74/720385674.db2.gz WPQHGFKANVZSMK-UHFFFAOYSA-N 1 2 474.005 4.105 20 0 JIADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4nc(Cl)cc5cccc(F)c54)CC3)C2=O)cs1 ZINC001164826082 720385679 /nfs/dbraw/zinc/38/56/79/720385679.db2.gz WPQHGFKANVZSMK-UHFFFAOYSA-N 1 2 474.005 4.105 20 0 JIADLO c1ccc(C[N@@H+]2CCc3ncnc(N4CCO[C@@]5(CCC[C@@H]5COCc5ccncc5)C4)c3C2)cc1 ZINC001164781272 721383230 /nfs/dbraw/zinc/38/32/30/721383230.db2.gz ITOFMUPZZXPTNU-IRPSRAIASA-N 1 2 485.632 4.022 20 0 JIADLO c1ccc(C[N@H+]2CCc3ncnc(N4CCO[C@@]5(CCC[C@@H]5COCc5ccncc5)C4)c3C2)cc1 ZINC001164781272 721383233 /nfs/dbraw/zinc/38/32/33/721383233.db2.gz ITOFMUPZZXPTNU-IRPSRAIASA-N 1 2 485.632 4.022 20 0 JIADLO C[NH+](C)Cc1nc2scc(-c3ccccc3)c2c(N2Cc3nccn3C[C@H](Cn3cccn3)C2)n1 ZINC001164895163 721487508 /nfs/dbraw/zinc/48/75/08/721487508.db2.gz KAZADIHSTSQUTO-IBGZPJMESA-N 1 2 484.633 4.150 20 0 JIADLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(C(F)(F)c1ccc(-c3ccc(Cl)nn3)cc1)C2 ZINC001165009071 721714985 /nfs/dbraw/zinc/71/49/85/721714985.db2.gz OJSBLWNFKBVKQE-UHFFFAOYSA-N 1 2 461.948 4.184 20 0 JIADLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(C(F)(F)c1ccc(-c3ccc(Cl)nn3)cc1)C2 ZINC001165009071 721714987 /nfs/dbraw/zinc/71/49/87/721714987.db2.gz OJSBLWNFKBVKQE-UHFFFAOYSA-N 1 2 461.948 4.184 20 0 JIADLO FC(F)(c1cnc(Cl)c(-c2ccco2)c1)N1CCO[C@@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164914319 721801449 /nfs/dbraw/zinc/80/14/49/721801449.db2.gz LQAMPJRBEWTZFZ-QHCPKHFHSA-N 1 2 490.938 4.043 20 0 JIADLO FC(F)(c1cnc(Cl)c(-c2ccco2)c1)N1CCO[C@@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164914319 721801450 /nfs/dbraw/zinc/80/14/50/721801450.db2.gz LQAMPJRBEWTZFZ-QHCPKHFHSA-N 1 2 490.938 4.043 20 0 JIADLO Cc1nc(-c2ccccc2Cl)nc(N2CCC3(CC2)C(=O)NCC[N@H+]3Cc2ccccc2)c1C ZINC001164951120 721980128 /nfs/dbraw/zinc/98/01/28/721980128.db2.gz XYBDFSOHHJVWGL-UHFFFAOYSA-N 1 2 476.024 4.385 20 0 JIADLO Cc1nc(-c2ccccc2Cl)nc(N2CCC3(CC2)C(=O)NCC[N@@H+]3Cc2ccccc2)c1C ZINC001164951120 721980133 /nfs/dbraw/zinc/98/01/33/721980133.db2.gz XYBDFSOHHJVWGL-UHFFFAOYSA-N 1 2 476.024 4.385 20 0 JIADLO Cc1ccc(Nc2nc(N)nc(C[NH+]3CCC(C(=O)Nc4ccc(Br)cc4)CC3)n2)cc1 ZINC000504509142 1069346169 /nfs/dbraw/zinc/34/61/69/1069346169.db2.gz JDRXZNZFGXUFBJ-UHFFFAOYSA-N 1 2 496.413 4.119 20 0 JIADLO FC(F)(F)Oc1cc(Br)ccc1NC(=S)NCc1c[nH+]cn1C1CCOCC1 ZINC001200718020 1069381711 /nfs/dbraw/zinc/38/17/11/1069381711.db2.gz BFGBTIVBJDEQFZ-UHFFFAOYSA-N 1 2 479.322 4.382 20 0 JIADLO COc1ccccc1SCc1nnc(N2CC[C@H](C(C)C)C2)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001300671911 1069407800 /nfs/dbraw/zinc/40/78/00/1069407800.db2.gz DLGCXZRZWFQLQF-FQEVSTJZSA-N 1 2 473.687 4.172 20 0 JIADLO COc1ccccc1SCc1nnc(N2CC[C@H](C(C)C)C2)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001300671911 1069407806 /nfs/dbraw/zinc/40/78/06/1069407806.db2.gz DLGCXZRZWFQLQF-FQEVSTJZSA-N 1 2 473.687 4.172 20 0 JIADLO CC(=O)N1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CCCc2cccc(C)[nH+]2)[C@H](C)C1 ZINC001359386007 1069493395 /nfs/dbraw/zinc/49/33/95/1069493395.db2.gz REFBOPBCSFYIGL-QGZVFWFLSA-N 1 2 470.980 4.131 20 0 JIADLO CC(C)(C)c1nnc(N2CCO[C@](C)(C(C)(C)C)C2)n1C[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001359517510 1069804703 /nfs/dbraw/zinc/80/47/03/1069804703.db2.gz WAAUUPYDCCVRRR-AMGIVPHBSA-N 1 2 469.674 4.118 20 0 JIADLO CC(C)(C)c1nnc(N2CCO[C@](C)(C(C)(C)C)C2)n1C[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001359517510 1069804706 /nfs/dbraw/zinc/80/47/06/1069804706.db2.gz WAAUUPYDCCVRRR-AMGIVPHBSA-N 1 2 469.674 4.118 20 0 JIADLO CC(C)(C)Cc1nnc(N2CC[C@@H](NC(=O)OC(C)(C)C)C2)n1Cc1ccccc1-n1cc[nH+]c1 ZINC001359543965 1069842360 /nfs/dbraw/zinc/84/23/60/1069842360.db2.gz XZJCIZOYBKUFNK-HXUWFJFHSA-N 1 2 479.629 4.204 20 0 JIADLO CO[C@@H]1CN(c2nnc(-c3cc(Br)cn3C)n2CCCc2cccc(C)[nH+]2)CC1(C)C ZINC001300793800 1069844205 /nfs/dbraw/zinc/84/42/05/1069844205.db2.gz HBBAFUQMEJUJRN-HXUWFJFHSA-N 1 2 487.446 4.244 20 0 JIADLO CC(C)(C)OC(=O)NCC1CCN(c2nnc(C3CCC3)n2CCCNc2cccc[nH+]2)CC1 ZINC001359568705 1069924347 /nfs/dbraw/zinc/92/43/47/1069924347.db2.gz REMBNVMCZCMSEJ-UHFFFAOYSA-N 1 2 469.634 4.184 20 0 JIADLO CC(C)(Cn1c(-c2cnccn2)nnc1N1CC[NH+](Cc2cccc(Cl)c2)CC1)C(F)(F)F ZINC001359594633 1070042437 /nfs/dbraw/zinc/04/24/37/1070042437.db2.gz IKHQZAXZMUREEH-UHFFFAOYSA-N 1 2 479.938 4.299 20 0 JIADLO CC(C)c1nnc(N2CCc3c(cc[nH+]c3N(C)C)C2)n1Cc1sccc1Br ZINC001359702877 1070368500 /nfs/dbraw/zinc/36/85/00/1070368500.db2.gz LKVYIDZWGNXRPV-UHFFFAOYSA-N 1 2 461.433 4.298 20 0 JIADLO COc1ccc(CN(C)c2nnc(-c3ccc(C)o3)n2Cc2ccc(N(C)C)[nH+]c2)c(OC)c1 ZINC001315475034 1064322524 /nfs/dbraw/zinc/32/25/24/1064322524.db2.gz PDAWFTUAODMPSH-UHFFFAOYSA-N 1 2 462.554 4.009 20 0 JIADLO COc1ccc(F)cc1C[NH+]1CCN(c2nnc(CC(C)C)n2Cc2cscc2C)CC1 ZINC001315514948 1064460698 /nfs/dbraw/zinc/46/06/98/1064460698.db2.gz ABKKZKGFIUSXEH-UHFFFAOYSA-N 1 2 457.619 4.365 20 0 JIADLO COc1ccc(F)cc1C[NH+]1CCN(c2nnc(CC(C)C)n2C[C@H]2CCCSC2)CC1 ZINC001315515339 1064462338 /nfs/dbraw/zinc/46/23/38/1064462338.db2.gz LXWVXTBJJWPDRJ-LJQANCHMSA-N 1 2 461.651 4.090 20 0 JIADLO COc1ccc(F)cc1C[NH+]1CCN(c2nnc(Cc3csc(C)n3)n2CCC=C(C)C)CC1 ZINC001315516049 1064464151 /nfs/dbraw/zinc/46/41/51/1064464151.db2.gz XHFQXDSEUCVQCP-UHFFFAOYSA-N 1 2 484.645 4.460 20 0 JIADLO COc1ccc(OCc2nnc(N3C[C@@H](C)CC(C)(C)C3)n2Cc2ccc(N(C)C)[nH+]c2)cc1 ZINC001315524525 1064497617 /nfs/dbraw/zinc/49/76/17/1064497617.db2.gz KCTIVWHCHLOGBX-IBGZPJMESA-N 1 2 464.614 4.247 20 0 JIADLO COc1cccc(-c2nnc(N3CCN(c4cc(C)[nH+]c(C(C)C)n4)CC3)n2CC(F)(F)F)c1 ZINC001315564317 1064594012 /nfs/dbraw/zinc/59/40/12/1064594012.db2.gz SIYULVHPXBGQRH-UHFFFAOYSA-N 1 2 475.519 4.064 20 0 JIADLO COc1ccccc1OCc1nnc(N(C)CC(C)C)n1Cc1ccc(N2CCCCC2)[nH+]c1 ZINC001315647141 1064819943 /nfs/dbraw/zinc/81/99/43/1064819943.db2.gz KJKAHVYNEXSSDN-UHFFFAOYSA-N 1 2 464.614 4.392 20 0 JIADLO COc1ccccc1OCc1nnc(N2CCOC(C)(C)[C@H]2C)n1CCCc1cccc(C)[nH+]1 ZINC001315655741 1064845001 /nfs/dbraw/zinc/84/50/01/1064845001.db2.gz YOYUOIOASOPJBM-HXUWFJFHSA-N 1 2 465.598 4.206 20 0 JIADLO COc1ccccc1SCc1nnc(N(C)CC[NH+]2CCOCC2)n1C1CC(C(C)(C)C)C1 ZINC001315661491 1064860908 /nfs/dbraw/zinc/86/09/08/1064860908.db2.gz GWZFTLYTXHTQNI-UHFFFAOYSA-N 1 2 473.687 4.345 20 0 JIADLO COc1ccccc1SCc1nnc(N2CC[C@@H](C(C)C)C2)n1CC[N@@H+]1CCOCC1(C)C ZINC001315664995 1064877303 /nfs/dbraw/zinc/87/73/03/1064877303.db2.gz NXNFSPPTCLFUFS-HXUWFJFHSA-N 1 2 473.687 4.172 20 0 JIADLO COc1ccccc1SCc1nnc(N2CC[C@@H](C(C)C)C2)n1CC[N@H+]1CCOCC1(C)C ZINC001315664995 1064877304 /nfs/dbraw/zinc/87/73/04/1064877304.db2.gz NXNFSPPTCLFUFS-HXUWFJFHSA-N 1 2 473.687 4.172 20 0 JIADLO COc1ccccc1SCc1nnc(N2CCS[C@H](C)C2)n1CCCNc1cccc[nH+]1 ZINC001315667760 1064888956 /nfs/dbraw/zinc/88/89/56/1064888956.db2.gz HZCJIBGSXOUECL-GOSISDBHSA-N 1 2 470.668 4.418 20 0 JIADLO COc1cc[nH+]cc1Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCCC[C@@H](SC)C1 ZINC001315670191 1064899074 /nfs/dbraw/zinc/89/90/74/1064899074.db2.gz RUBKWGZORYFCHM-LJQANCHMSA-N 1 2 469.611 4.136 20 0 JIADLO COc1cc[nH+]cc1Cn1c(COc2cccc(C)c2)nnc1N1CCC(C(F)(F)F)CC1 ZINC001315671826 1064902542 /nfs/dbraw/zinc/90/25/42/1064902542.db2.gz GXWKEYRKSRMDQP-UHFFFAOYSA-N 1 2 461.488 4.396 20 0 JIADLO COc1cc[nH+]cc1Cn1c(CSc2ccc(Cl)cc2)nnc1N(C)CC(=O)NC(C)(C)C ZINC001315672193 1064902607 /nfs/dbraw/zinc/90/26/07/1064902607.db2.gz KYWNKCGEAMSFCW-UHFFFAOYSA-N 1 2 489.045 4.027 20 0 JIADLO COc1cc[nH+]cc1Cn1c(N2CCC(Oc3c(OC)cccc3OC)CC2)nnc1C(C)(C)C ZINC001315672477 1064903550 /nfs/dbraw/zinc/90/35/50/1064903550.db2.gz NCNIAKOPRMMGJY-UHFFFAOYSA-N 1 2 481.597 4.093 20 0 JIADLO COc1cc[nH+]cc1Cn1c(CC(C)C)nnc1N1CCC(C(=O)c2ccc(F)cc2)CC1 ZINC001315672815 1064904163 /nfs/dbraw/zinc/90/41/63/1064904163.db2.gz ZGPOMHINHHDWOD-UHFFFAOYSA-N 1 2 451.546 4.167 20 0 JIADLO COc1cc[nH+]cc1Cn1c(COc2ccc(Cl)cc2)nnc1N(C)CC1CC(F)(F)C1 ZINC001315672947 1064904380 /nfs/dbraw/zinc/90/43/80/1064904380.db2.gz RPGLIVMOTVZRSM-UHFFFAOYSA-N 1 2 463.916 4.444 20 0 JIADLO COCC(C)(C)Cn1c([C@@H]2CCCCO2)nnc1N1CC[NH+](CCOc2ccccc2Cl)CC1 ZINC001315768222 1065087947 /nfs/dbraw/zinc/08/79/47/1065087947.db2.gz FYIBSRAMYMRILD-QFIPXVFZSA-N 1 2 492.064 4.047 20 0 JIADLO COC[C@@H](C)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CC[C@H]([NH+]2CCN(C(C)C)CC2)C1 ZINC001315781429 1065112578 /nfs/dbraw/zinc/11/25/78/1065112578.db2.gz KLDQWQSVMHYFCC-ICSRJNTNSA-N 1 2 495.499 4.139 20 0 JIADLO COCC1(C)CCN(c2nnc(COc3cc(C)ccc3C)n2Cc2c[nH+]ccc2OC)CC1 ZINC001315833587 1065203385 /nfs/dbraw/zinc/20/33/85/1065203385.db2.gz HLKYUAYSARNBHD-UHFFFAOYSA-N 1 2 465.598 4.179 20 0 JIADLO COCc1ccccc1Cn1c(CC(C)(C)C)nnc1N1CC[NH+](Cc2cnc(C)s2)CC1 ZINC001315862081 1065273942 /nfs/dbraw/zinc/27/39/42/1065273942.db2.gz IUYXKHQEWLHHNN-UHFFFAOYSA-N 1 2 468.671 4.149 20 0 JIADLO COC[C@H]1CCCN(c2nnc(-c3ccc(Br)s3)n2Cc2c[nH+]ccc2OC)C1 ZINC001315892420 1065353166 /nfs/dbraw/zinc/35/31/66/1065353166.db2.gz CQDMSORCTDOASE-AWEZNQCLSA-N 1 2 478.416 4.084 20 0 JIADLO COCCN(C)c1nnc(-c2cccc(OC(F)F)c2)n1Cc1ccc(N2CCC(C)CC2)[nH+]c1 ZINC001316053593 1065683780 /nfs/dbraw/zinc/68/37/80/1065683780.db2.gz AVXMCXUBGWYREB-UHFFFAOYSA-N 1 2 486.567 4.309 20 0 JIADLO COCCN(C)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1Cc1c[nH+]ccc1OC ZINC001316055375 1065689269 /nfs/dbraw/zinc/68/92/69/1065689269.db2.gz LOQGFEXSXALATD-QGZVFWFLSA-N 1 2 459.978 4.223 20 0 JIADLO COCCN(c1nnc(C(C)(C)C)n1C[C@@H]1C[N@H+](Cc2ccccc2)CCO1)[C@H]1CC[C@@H](C)C1 ZINC001316081374 1065727752 /nfs/dbraw/zinc/72/77/52/1065727752.db2.gz NBBILHNSNVUJRP-NHTMILBNSA-N 1 2 469.674 4.118 20 0 JIADLO COCCN(c1nnc(C(C)(C)C)n1C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)[C@H]1CC[C@@H](C)C1 ZINC001316081374 1065727763 /nfs/dbraw/zinc/72/77/63/1065727763.db2.gz NBBILHNSNVUJRP-NHTMILBNSA-N 1 2 469.674 4.118 20 0 JIADLO COCCO[C@H](C)c1nnc(N2CC=C(C(C)(C)C)CC2)n1C[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC001316163053 1065830275 /nfs/dbraw/zinc/83/02/75/1065830275.db2.gz BFKQCPAESKKKRN-RDGATRHJSA-N 1 2 497.684 4.258 20 0 JIADLO CO[C@H]1CCN(c2nnc(-c3cc(F)ccc3Br)n2CCCc2cccc(C)[nH+]2)C1 ZINC001316324660 1066081364 /nfs/dbraw/zinc/08/13/64/1066081364.db2.gz OURDWHXXGHWCEM-SFHVURJKSA-N 1 2 474.378 4.408 20 0 JIADLO CO[C@H]1CCN(c2nnc(CSc3ccc(Cl)cc3)n2CCCNc2cccc[nH+]2)C1 ZINC001316328740 1066084679 /nfs/dbraw/zinc/08/46/79/1066084679.db2.gz OYVSTRITXSCNRC-SFHVURJKSA-N 1 2 459.019 4.346 20 0 JIADLO CS[C@H](C)Cn1c(COc2cc(C)ccc2C(C)C)nnc1N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC001316388655 1066160910 /nfs/dbraw/zinc/16/09/10/1066160910.db2.gz SVAACQLJOPSXNG-HXUWFJFHSA-N 1 2 495.697 4.465 20 0 JIADLO CS[C@@H](Cn1c(Cc2ccsc2)nnc1N1CC[NH+](Cc2cc(C)no2)CC1)C(C)(C)C ZINC001316396278 1066173330 /nfs/dbraw/zinc/17/33/30/1066173330.db2.gz SPYFZXLEZGYETN-FQEVSTJZSA-N 1 2 474.700 4.327 20 0 JIADLO CCOCCCn1c2nn(C[N@@H+]3CC[C@H]4CCCC[C@@H]4C3)c(=S)n2c2ccccc2c1=O ZINC001324990958 1066234896 /nfs/dbraw/zinc/23/48/96/1066234896.db2.gz VOUSHYRLLDMGJN-RTBURBONSA-N 1 2 455.628 4.076 20 0 JIADLO CCOCCCn1c2nn(C[N@H+]3CC[C@H]4CCCC[C@@H]4C3)c(=S)n2c2ccccc2c1=O ZINC001324990958 1066234904 /nfs/dbraw/zinc/23/49/04/1066234904.db2.gz VOUSHYRLLDMGJN-RTBURBONSA-N 1 2 455.628 4.076 20 0 JIADLO FC(F)(F)c1cc(-c2ccccc2)nnc1NCc1ccccc1OCC[NH+]1CCOCC1 ZINC001325269862 1066243446 /nfs/dbraw/zinc/24/34/46/1066243446.db2.gz PIHHSQPVGXSXTQ-UHFFFAOYSA-N 1 2 458.484 4.486 20 0 JIADLO COc1ccccc1C(=O)N[C@H](CCSC)C(=O)Nc1ccc2nc(C[NH+]3CCCCC3)[nH]c2c1 ZINC001325991478 1066278780 /nfs/dbraw/zinc/27/87/80/1066278780.db2.gz LCYZMXYCJRDDFS-OAQYLSRUSA-N 1 2 495.649 4.048 20 0 JIADLO CSC[C@H]1CCCN1c1nnc([C@H]2CCCO2)n1C[C@@H](c1c(F)cccc1F)[NH+](C)C ZINC001316442566 1066305315 /nfs/dbraw/zinc/30/53/15/1066305315.db2.gz MKLHAGUZEHVYHW-AYOQOUSVSA-N 1 2 451.587 4.043 20 0 JIADLO CSCCCN(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@@H](C)[NH+]1CCOCC1 ZINC001316464475 1066362989 /nfs/dbraw/zinc/36/29/89/1066362989.db2.gz BFKSOUZEQLTOTC-ZWKOTPCHSA-N 1 2 463.717 4.041 20 0 JIADLO CSCCCn1c(-c2ccc(C)o2)nnc1N1CC[NH+](CCOc2ccccc2Cl)CC1 ZINC001316475430 1066385589 /nfs/dbraw/zinc/38/55/89/1066385589.db2.gz PLLMEHTYKFPEJT-UHFFFAOYSA-N 1 2 476.046 4.454 20 0 JIADLO CSCCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CC[NH+](Cc2cnc(C)s2)CC1 ZINC001316476157 1066386705 /nfs/dbraw/zinc/38/67/05/1066386705.db2.gz VBOWORWYEOHMOG-UHFFFAOYSA-N 1 2 494.637 4.387 20 0 JIADLO Cc1cccc(CCCn2c(C(C)C)nnc2N2CC[C@@H](CN(C)C(=O)OC(C)(C)C)C2)[nH+]1 ZINC001492524977 1066399885 /nfs/dbraw/zinc/39/98/85/1066399885.db2.gz DWBPTDQOTZWKJI-FQEVSTJZSA-N 1 2 456.635 4.431 20 0 JIADLO Cc1cccc(CCCn2c(-c3cccc(Br)c3)nnc2N2CCO[C@@H](C)C2)[nH+]1 ZINC001492525255 1066403572 /nfs/dbraw/zinc/40/35/72/1066403572.db2.gz NZQZMEDCLWBIME-KRWDZBQOSA-N 1 2 456.388 4.269 20 0 JIADLO Cc1cccc(CCCn2c(-c3cccc(Cl)c3)nnc2N2CCCC[C@@H](S(C)(=O)=O)C2)[nH+]1 ZINC001492525209 1066403623 /nfs/dbraw/zinc/40/36/23/1066403623.db2.gz MFLOUZBMGZUCMU-JOCHJYFZSA-N 1 2 488.057 4.338 20 0 JIADLO O=C(CSc1ccc(Br)cc1)N1CC[NH+](Cc2cccc3cccnc32)CC1 ZINC001335058997 1066404995 /nfs/dbraw/zinc/40/49/95/1066404995.db2.gz DDNRYIWOZUZLHJ-UHFFFAOYSA-N 1 2 456.409 4.434 20 0 JIADLO Cc1cccc(CCCn2c(-c3ccc(Cl)cc3Cl)nnc2N2CCN(C)C(=O)[C@H]2C)[nH+]1 ZINC001492526356 1066415249 /nfs/dbraw/zinc/41/52/49/1066415249.db2.gz VNTKRFONGNYGLG-MRXNPFEDSA-N 1 2 473.408 4.255 20 0 JIADLO Cc1cccc(CCCn2c(CNC(=O)c3cccs3)nnc2N(C)Cc2ccsc2)[nH+]1 ZINC001492526712 1066416151 /nfs/dbraw/zinc/41/61/51/1066416151.db2.gz JEFAIDSNKZAOLJ-UHFFFAOYSA-N 1 2 466.636 4.304 20 0 JIADLO Cc1cccc(CCCn2c(COc3ccc(Cl)cc3)nnc2N2C[C@H](C)O[C@@H](C)C2)[nH+]1 ZINC001492526865 1066417407 /nfs/dbraw/zinc/41/74/07/1066417407.db2.gz NWYJAVOIMJNORE-OALUTQOASA-N 1 2 455.990 4.460 20 0 JIADLO Cc1cccc(CCCn2c(CC(C)C)nnc2N2CCC(C(=O)N3CCC[C@@H](C)C3)CC2)[nH+]1 ZINC001492526986 1066418964 /nfs/dbraw/zinc/41/89/64/1066418964.db2.gz RMKXBXWOAWUDAW-OAQYLSRUSA-N 1 2 466.674 4.288 20 0 JIADLO Cc1cccc(CCCn2c(Cc3c(F)cccc3F)nnc2N2CCO[C@@H](C(F)(F)F)C2)[nH+]1 ZINC001492527387 1066421052 /nfs/dbraw/zinc/42/10/52/1066421052.db2.gz ZYXUZKJAJKLIEH-HXUWFJFHSA-N 1 2 481.469 4.251 20 0 JIADLO Cc1cccc(CCCn2c(CCc3ccccc3)nnc2N2CCN(CC(C)C)C(=O)[C@H]2C)[nH+]1 ZINC001492527281 1066421471 /nfs/dbraw/zinc/42/14/71/1066421471.db2.gz YLTNUMHCWVOIHN-HSZRJFAPSA-N 1 2 474.653 4.093 20 0 JIADLO CCCCn1c2nn(C[N@@H+]3CCCN4c5ccccc5C[C@H]4C3)c(=S)n2c2ccccc2c1=O ZINC001338407464 1066552948 /nfs/dbraw/zinc/55/29/48/1066552948.db2.gz VAMNAUJSAJKFOE-FQEVSTJZSA-N 1 2 474.634 4.075 20 0 JIADLO CCCCn1c2nn(C[N@H+]3CCCN4c5ccccc5C[C@H]4C3)c(=S)n2c2ccccc2c1=O ZINC001338407464 1066552963 /nfs/dbraw/zinc/55/29/63/1066552963.db2.gz VAMNAUJSAJKFOE-FQEVSTJZSA-N 1 2 474.634 4.075 20 0 JIADLO CC(=O)N[C@H](CC(=O)Nc1ccc2nc(C[NH+]3CCCCC3)[nH]c2c1)c1ccc(Cl)cc1 ZINC001338429534 1066554604 /nfs/dbraw/zinc/55/46/04/1066554604.db2.gz LRWPHAAKEZXNFX-OAQYLSRUSA-N 1 2 453.974 4.408 20 0 JIADLO CCC1CCC2(CC1)NC(=O)N(CC(=O)O[C@H](Cn1cc[nH+]c1)c1ccc(Cl)cc1Cl)C2=O ZINC001343409020 1066613046 /nfs/dbraw/zinc/61/30/46/1066613046.db2.gz NHBRKCSURHIWQX-HVWVKJRRSA-N 1 2 493.391 4.365 20 0 JIADLO OCCCC1CCN(c2nnc(-c3cccc(Cl)c3)n2CCCNc2cccc[nH+]2)CC1 ZINC001316589055 1066617333 /nfs/dbraw/zinc/61/73/33/1066617333.db2.gz YTJVAIQEDLKQEF-UHFFFAOYSA-N 1 2 455.006 4.485 20 0 JIADLO Cc1ncsc1CN(C)c1nnc(CC(C)C)n1C[C@@H](c1cccc(C)c1)[NH+]1CCOCC1 ZINC001492480324 1066626464 /nfs/dbraw/zinc/62/64/64/1066626464.db2.gz KRMOJFYMQHEPKG-QFIPXVFZSA-N 1 2 468.671 4.260 20 0 JIADLO Cc1cccc([C@H](Cn2c(CC(C)C)nnc2N2CCO[C@H](C(C)(C)C)C2)[NH+]2CCOCC2)c1 ZINC001492481326 1066627118 /nfs/dbraw/zinc/62/71/18/1066627118.db2.gz VYBMHBAXAXXIBS-ZEQRLZLVSA-N 1 2 469.674 4.110 20 0 JIADLO C[C@H](Sc1nnc(C[NH+]2CCCCC2)n1-c1ccc(OC(F)F)cc1)C(=O)NCc1ccco1 ZINC001317634241 1066628065 /nfs/dbraw/zinc/62/80/65/1066628065.db2.gz MQWICWYDNLCNAY-INIZCTEOSA-N 1 2 491.564 4.245 20 0 JIADLO CCOC(=O)C1=C(C[NH+]2CCC(Nc3ccccc3)CC2)NC(=O)N[C@H]1c1ccc(Cl)cc1 ZINC001345018298 1066638313 /nfs/dbraw/zinc/63/83/13/1066638313.db2.gz XABQVGCRZPDXFB-QHCPKHFHSA-N 1 2 468.985 4.088 20 0 JIADLO CCOC(=O)C1C(C[NH+]2CCC(Nc3ccccc3)CC2)=NC(=O)N[C@H]1c1ccc(Cl)cc1 ZINC001345018298 1066638321 /nfs/dbraw/zinc/63/83/21/1066638321.db2.gz XABQVGCRZPDXFB-QHCPKHFHSA-N 1 2 468.985 4.088 20 0 JIADLO CCn1c(-c2cccc(S(=O)(=O)N3CCCC3)c2)nn(C[N@@H+]2CC[C@H]3CCCC[C@H]3C2)c1=S ZINC001317705356 1066638316 /nfs/dbraw/zinc/63/83/16/1066638316.db2.gz YVCFZLANTRSJDV-CTNGQTDRSA-N 1 2 489.711 4.355 20 0 JIADLO CCn1c(-c2cccc(S(=O)(=O)N3CCCC3)c2)nn(C[N@H+]2CC[C@H]3CCCC[C@H]3C2)c1=S ZINC001317705356 1066638323 /nfs/dbraw/zinc/63/83/23/1066638323.db2.gz YVCFZLANTRSJDV-CTNGQTDRSA-N 1 2 489.711 4.355 20 0 JIADLO O=C(Nc1ccc(-n2cncn2)cc1)N1CC[NH+](Cc2ccc(-c3ccccc3F)s2)CC1 ZINC001346001787 1066650116 /nfs/dbraw/zinc/65/01/16/1066650116.db2.gz FZECAPCABXINLO-UHFFFAOYSA-N 1 2 462.554 4.485 20 0 JIADLO C[C@@H]1CCCN(C(=O)C2CC[NH+](CC(=O)N(CC(F)(F)F)c3ccc(Cl)cc3)CC2)C1 ZINC001317893560 1066763807 /nfs/dbraw/zinc/76/38/07/1066763807.db2.gz NXRZADKGFRMXQW-MRXNPFEDSA-N 1 2 459.940 4.206 20 0 JIADLO CS(=O)(=O)Cc1cccc(C(=O)O[C@H](Cn2cc[nH+]c2)c2ccc(Cl)cc2Cl)c1 ZINC001348704432 1066772318 /nfs/dbraw/zinc/77/23/18/1066772318.db2.gz NTJACKDWVODGRH-LJQANCHMSA-N 1 2 453.347 4.333 20 0 JIADLO CC(=O)NCc1cccc(C(=O)N2CC[NH+](Cc3ccc(-c4ccccc4F)s3)CC2)c1 ZINC001348921350 1066789701 /nfs/dbraw/zinc/78/97/01/1066789701.db2.gz AVPZIJGNFOQOHY-UHFFFAOYSA-N 1 2 451.567 4.148 20 0 JIADLO O=C(CCc1cc(Cl)ccc1Br)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001349101437 1066808003 /nfs/dbraw/zinc/80/80/03/1066808003.db2.gz GTXMKAGQMWILGN-LJQANCHMSA-N 1 2 451.792 4.052 20 0 JIADLO O=C(CCc1cc(Cl)ccc1Br)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001349101437 1066808008 /nfs/dbraw/zinc/80/80/08/1066808008.db2.gz GTXMKAGQMWILGN-LJQANCHMSA-N 1 2 451.792 4.052 20 0 JIADLO COc1ccc(C(NC(=O)c2cccc(NC(=O)CCn3cc[nH+]c3)c2)c2ccc(OC)cc2)cc1 ZINC001317965066 1066815902 /nfs/dbraw/zinc/81/59/02/1066815902.db2.gz FLTYUPDAJFPTLI-UHFFFAOYSA-N 1 2 484.556 4.449 20 0 JIADLO C[C@@]1(c2ccc3ccccc3c2)NC(=O)N(C[NH+]2CCC([C@H]3c4ccccc4NC3=O)CC2)C1=O ZINC001318166026 1066934188 /nfs/dbraw/zinc/93/41/88/1066934188.db2.gz JSCYSOYUMGMCMK-CUBQBAPOSA-N 1 2 468.557 4.012 20 0 JIADLO O=C(Nc1ccc2nc(C[NH+]3CCCCC3)[nH]c2c1)c1cn(-c2ccc(Br)cc2)nn1 ZINC001318214230 1066963290 /nfs/dbraw/zinc/96/32/90/1066963290.db2.gz QELHDNBTMKAUNE-UHFFFAOYSA-N 1 2 480.370 4.144 20 0 JIADLO COCCOc1ccc(C(F)(F)F)cc1NC(=O)C[NH+]1CCC([C@@H]2C(=O)Nc3ccccc32)CC1 ZINC001318218118 1066966707 /nfs/dbraw/zinc/96/67/07/1066966707.db2.gz IIMFHTVYUFQXCM-QHCPKHFHSA-N 1 2 491.510 4.117 20 0 JIADLO CSc1ccc([C@@H](CNC(=O)COCc2ccccn2)[N@@H+]2CCc3sccc3C2)cc1 ZINC001350522030 1066967792 /nfs/dbraw/zinc/96/77/92/1066967792.db2.gz IGPSZUKEPAORSU-JOCHJYFZSA-N 1 2 453.633 4.297 20 0 JIADLO CSc1ccc([C@@H](CNC(=O)COCc2ccccn2)[N@H+]2CCc3sccc3C2)cc1 ZINC001350522030 1066967804 /nfs/dbraw/zinc/96/78/04/1066967804.db2.gz IGPSZUKEPAORSU-JOCHJYFZSA-N 1 2 453.633 4.297 20 0 JIADLO CN(C(=O)CSCC(=O)Nc1ccc2nc(C[NH+]3CCCCC3)[nH]c2c1)C1CCCCC1 ZINC001318229307 1066972653 /nfs/dbraw/zinc/97/26/53/1066972653.db2.gz DGMVZNJDQHANEE-UHFFFAOYSA-N 1 2 457.644 4.012 20 0 JIADLO COc1ccc(-c2nnc(SCC(=O)Nc3ccc4nc(C[NH+]5CCCCC5)[nH]c4c3)o2)cc1 ZINC001318229225 1066972728 /nfs/dbraw/zinc/97/27/28/1066972728.db2.gz BIUXFGRRTIZCTF-UHFFFAOYSA-N 1 2 478.578 4.338 20 0 JIADLO CC[C@H](C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)Nc1ccc2nc(C[NH+]3CCCCC3)[nH]c2c1 ZINC001318229500 1066972891 /nfs/dbraw/zinc/97/28/91/1066972891.db2.gz FNIKASIAWKVCHK-DFBJGRDBSA-N 1 2 473.621 4.487 20 0 JIADLO COC(=O)[C@@H](C)Sc1ccccc1C(=O)Nc1ccc2nc(C[NH+]3CCCCC3)[nH]c2c1 ZINC001318230109 1066974104 /nfs/dbraw/zinc/97/41/04/1066974104.db2.gz SRMWGRZHWFOHSS-MRXNPFEDSA-N 1 2 452.580 4.455 20 0 JIADLO CCOc1ccccc1[C@@H](CC(=O)Nc1ccc2nc(C[NH+]3CCCCC3)[nH]c2c1)NC(C)=O ZINC001318244031 1066981064 /nfs/dbraw/zinc/98/10/64/1066981064.db2.gz AZJRORTYMYQGQS-JOCHJYFZSA-N 1 2 463.582 4.154 20 0 JIADLO COc1ccc(-c2cn(-c3ccccc3)nc2C(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)cc1OC ZINC001318253896 1066985380 /nfs/dbraw/zinc/98/53/80/1066985380.db2.gz MDCZUZLJQCETHA-OAQYLSRUSA-N 1 2 457.534 4.230 20 0 JIADLO C[C@@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)N[C@H]1CCCc2c1cnn2Cc1ccccc1 ZINC001318258649 1066987246 /nfs/dbraw/zinc/98/72/46/1066987246.db2.gz ALQZPDXVPKNMFU-HOFKKMOUSA-N 1 2 487.648 4.241 20 0 JIADLO Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)C(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001350762719 1066998321 /nfs/dbraw/zinc/99/83/21/1066998321.db2.gz NZKDKCSXZJRRKP-OAGGEKHMSA-N 1 2 452.521 4.414 20 0 JIADLO COc1cc[nH+]cc1Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1C[C@@H](C)C(F)(F)[C@@H](C)C1 ZINC001300687966 1067031069 /nfs/dbraw/zinc/03/10/69/1067031069.db2.gz WXMACHDPACVVRU-HDICACEKSA-N 1 2 484.551 4.327 20 0 JIADLO Cc1ccc(C(=O)Nc2ccc3nc(C[NH+]4CCCCC4)[nH]c3c2)cc1S(=O)(=O)N1CCCCC1 ZINC001318417384 1067039892 /nfs/dbraw/zinc/03/98/92/1067039892.db2.gz HGQVFLIAGHYVAJ-UHFFFAOYSA-N 1 2 495.649 4.284 20 0 JIADLO COc1cc[nH+]cc1Cn1c(-c2cccc(OC(F)F)c2)nnc1N1C[C@@H](C)S[C@H](C)C1 ZINC001300692829 1067042352 /nfs/dbraw/zinc/04/23/52/1067042352.db2.gz BVFIIPNQFTYIAW-HUUCEWRRSA-N 1 2 461.538 4.329 20 0 JIADLO COc1cc[nH+]cc1Cn1c(-c2ccc(C)o2)nnc1N1CCC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1 ZINC001300693965 1067046832 /nfs/dbraw/zinc/04/68/32/1067046832.db2.gz LYXAGNJUQKIKMH-RBUKOAKNSA-N 1 2 496.612 4.428 20 0 JIADLO COc1cc[nH+]cc1Cn1c(-c2ccc(C)o2)nnc1N1CCC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC001300693966 1067047097 /nfs/dbraw/zinc/04/70/97/1067047097.db2.gz LYXAGNJUQKIKMH-RTBURBONSA-N 1 2 496.612 4.428 20 0 JIADLO COc1cc[nH+]cc1Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N(C)C[C@@H]1CCCOC1 ZINC001300694174 1067047447 /nfs/dbraw/zinc/04/74/47/1067047447.db2.gz OPMFLLKTIWYHPL-ROUUACIJSA-N 1 2 471.989 4.386 20 0 JIADLO COc1cc[nH+]cc1Cn1c(Cc2csc(C)n2)nnc1N(C)Cc1ccc(Cl)s1 ZINC001300695296 1067051167 /nfs/dbraw/zinc/05/11/67/1067051167.db2.gz RYUZHDJQPBFSFZ-UHFFFAOYSA-N 1 2 461.016 4.437 20 0 JIADLO COc1cc[nH+]cc1Cn1c(CSc2ccccc2OC)nnc1N1CCC(F)(F)CC1 ZINC001300701640 1067062576 /nfs/dbraw/zinc/06/25/76/1067062576.db2.gz DOWZFVSINAHEMG-UHFFFAOYSA-N 1 2 461.538 4.266 20 0 JIADLO CCOc1ccccc1C(=O)N1CCC[C@H]1C(=O)Nc1ccc2nc(C[NH+]3CCCCC3)[nH]c2c1 ZINC001321485364 1067142593 /nfs/dbraw/zinc/14/25/93/1067142593.db2.gz HLWFPAXPMGAHAF-QHCPKHFHSA-N 1 2 475.593 4.191 20 0 JIADLO C[C@@H]1C[NH+](C(C)(C)CNC(=O)c2cc(-c3ccc(Br)cc3)ns2)C[C@@H](C)O1 ZINC001351677809 1067165169 /nfs/dbraw/zinc/16/51/69/1067165169.db2.gz UHBWUDPZDGGWKC-ZIAGYGMSSA-N 1 2 452.418 4.190 20 0 JIADLO CC(C)(C)OC(=O)NCc1ccccc1CNC(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC001322302659 1067271272 /nfs/dbraw/zinc/27/12/72/1067271272.db2.gz DXKRCOPUOWXLKA-UHFFFAOYSA-N 1 2 453.587 4.096 20 0 JIADLO COc1ccc(-c2nnc(N3C[C@H](C)CC[C@H]3C)n2CCCNc2cccc[nH+]2)c(OC)c1 ZINC001300026452 1067398243 /nfs/dbraw/zinc/39/82/43/1067398243.db2.gz ZABWFYSRAYVCSN-RTBURBONSA-N 1 2 450.587 4.484 20 0 JIADLO CCN(CC)S(=O)(=O)c1ccc(Cl)c(NC(=O)[C@H](c2ccc(Cl)cc2)[NH+](C)C)c1 ZINC001355588827 1067518343 /nfs/dbraw/zinc/51/83/43/1067518343.db2.gz FDKXVHDKUIDDSY-IBGZPJMESA-N 1 2 458.411 4.265 20 0 JIADLO CC[NH+](CC)Cc1csc(NC(=O)C[C@H](NC(=O)c2ccc(O)cc2)c2ccccc2)n1 ZINC001300052931 1067525143 /nfs/dbraw/zinc/52/51/43/1067525143.db2.gz GRDBOJXXWQWTQQ-NRFANRHFSA-N 1 2 452.580 4.190 20 0 JIADLO CC[NH+](CC)Cc1csc(NC(=O)CCC(=O)Nc2nnc(C3CCCCC3)s2)n1 ZINC001300053526 1067527714 /nfs/dbraw/zinc/52/77/14/1067527714.db2.gz QGAAGSIPYUPTPQ-UHFFFAOYSA-N 1 2 450.634 4.242 20 0 JIADLO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)c2ccc(OCC(=O)OC(C)(C)C)cc2)C[C@@H](C)O1 ZINC001355707953 1067557587 /nfs/dbraw/zinc/55/75/87/1067557587.db2.gz LJWDIZTVTWMNSU-RTBURBONSA-N 1 2 454.567 4.269 20 0 JIADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(C(=S)Nc4cccc5ccccc54)CC3)C2=O)cs1 ZINC001200098734 1067612338 /nfs/dbraw/zinc/61/23/38/1067612338.db2.gz UBWPXXCDYLQLGW-UHFFFAOYSA-N 1 2 479.675 4.110 20 0 JIADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(C(=S)Nc4cccc5ccccc54)CC3)C2=O)cs1 ZINC001200098734 1067612345 /nfs/dbraw/zinc/61/23/45/1067612345.db2.gz UBWPXXCDYLQLGW-UHFFFAOYSA-N 1 2 479.675 4.110 20 0 JIADLO COc1ccc(C[C@H](C)CN(C)c2nnc(-c3cccc(C)n3)n2Cc2c[nH+]ccc2OC)cc1 ZINC001300099903 1067673240 /nfs/dbraw/zinc/67/32/40/1067673240.db2.gz NWFJPJRIAMMUPL-IBGZPJMESA-N 1 2 472.593 4.424 20 0 JIADLO COc1ccc(C[C@@H](C)CN(C)c2nnc(C(C)C)n2Cc2ccc(N3CCO[C@H](C)C3)[nH+]c2)cc1 ZINC001300100012 1067673622 /nfs/dbraw/zinc/67/36/22/1067673622.db2.gz QSMNUWNIYHIUNS-FGZHOGPDSA-N 1 2 492.668 4.394 20 0 JIADLO COc1ccc(C[C@H](C)CN(C)c2nnc(C)n2C[C@@H](c2cccs2)[NH+]2CCOCC2)cc1 ZINC001300100075 1067674360 /nfs/dbraw/zinc/67/43/60/1067674360.db2.gz RVRMVWLVYIWEMJ-CVDCTZTESA-N 1 2 469.655 4.045 20 0 JIADLO COc1ccc(CCC(=O)N2CCN(c3nnc(C(C)C)n3CCCc3cccc(C)[nH+]3)CC2)cc1 ZINC001300106014 1067691742 /nfs/dbraw/zinc/69/17/42/1067691742.db2.gz DSDMBIRAQOMPBG-UHFFFAOYSA-N 1 2 490.652 4.028 20 0 JIADLO Cc1cc(N2CCN(C(=O)CSc3nnc(Nc4ccccc4F)s3)CC2)nc(C(C)C)[nH+]1 ZINC000501550421 1067708405 /nfs/dbraw/zinc/70/84/05/1067708405.db2.gz KQLZGMHWLXLSFJ-UHFFFAOYSA-N 1 2 487.630 4.084 20 0 JIADLO COc1ccc(CCc2nnc(N(C)Cc3ccc(C)o3)n2Cc2ccc(N(C)C)[nH+]c2)cc1 ZINC001300111939 1067713510 /nfs/dbraw/zinc/71/35/10/1067713510.db2.gz UKDOBXQRMQWWFV-UHFFFAOYSA-N 1 2 460.582 4.119 20 0 JIADLO Cc1ccc(Nc2nc(N)nc(C[NH+]3CCC(C(=O)Nc4cccc(Br)c4)CC3)n2)cc1 ZINC000507278280 1067726387 /nfs/dbraw/zinc/72/63/87/1067726387.db2.gz LEIHJSKRBGBSRG-UHFFFAOYSA-N 1 2 496.413 4.119 20 0 JIADLO Cc1ccc(NC(=S)N2Cc3c[nH+]cn3C[C@@H](COc3cccnc3)C2)c(Br)c1 ZINC001200146670 1067754911 /nfs/dbraw/zinc/75/49/11/1067754911.db2.gz VPFSLJKINUKDKH-INIZCTEOSA-N 1 2 472.412 4.257 20 0 JIADLO Cc1ccc(NC(=S)Nc2cccc(OCC[NH+]3CCOCC3)c2)c(Br)c1 ZINC001200147310 1067758414 /nfs/dbraw/zinc/75/84/14/1067758414.db2.gz PTJPTNGAJUPYGG-UHFFFAOYSA-N 1 2 450.402 4.277 20 0 JIADLO C[C@H]1C[NH+](Cc2ccccc2NC(=O)Cc2ccc(NC(=O)OC(C)(C)C)cn2)C[C@H](C)O1 ZINC001357518105 1067862937 /nfs/dbraw/zinc/86/29/37/1067862937.db2.gz BAHIDUYRQAVFFC-ROUUACIJSA-N 1 2 454.571 4.219 20 0 JIADLO O=C(NCc1cc[nH+]c(N2CCN(c3ccc(F)cc3)CC2)c1)C(F)(F)Cc1ccccc1 ZINC001357552515 1067868870 /nfs/dbraw/zinc/86/88/70/1067868870.db2.gz OZOWWLAHWGLRIW-UHFFFAOYSA-N 1 2 454.496 4.042 20 0 JIADLO COc1cccc([C@@H](O)C2CCN(C(=O)Nc3cccc([C@@H](C)[NH+]4CCOCC4)c3)CC2)c1 ZINC001200233137 1067877412 /nfs/dbraw/zinc/87/74/12/1067877412.db2.gz NKFJAELQRJXWFZ-CLOONOSVSA-N 1 2 453.583 4.066 20 0 JIADLO Cc1cn2cc(NC(=O)[C@H]3CCCN(C(=O)c4ccc(Br)cc4C)C3)ccc2[nH+]1 ZINC001357621400 1067878145 /nfs/dbraw/zinc/87/81/45/1067878145.db2.gz SYXTYEYITPBQJN-INIZCTEOSA-N 1 2 455.356 4.205 20 0 JIADLO COc1ccc(Cn2c(N3CCN(c4cc(C)[nH+]c(C(C)C)n4)CC3)nnc2C(C)(C)C)c(OC)c1 ZINC001300227454 1067898525 /nfs/dbraw/zinc/89/85/25/1067898525.db2.gz DAFPLBMUVQYNDU-UHFFFAOYSA-N 1 2 493.656 4.190 20 0 JIADLO COC(=O)[C@H](c1ccc(Cl)c(Cl)c1)N(C)C(=O)Cn1c(C)[nH+]c2cc(F)c(F)cc21 ZINC001357978071 1067967673 /nfs/dbraw/zinc/96/76/73/1067967673.db2.gz NSZPBYFMWRMCRV-IBGZPJMESA-N 1 2 456.276 4.302 20 0 JIADLO Cc1cc(CCC(=O)N(Cc2ccccc2)[C@@H](C)C[NH+]2CCOCC2)ccc1Br ZINC001358071398 1068008190 /nfs/dbraw/zinc/00/81/90/1068008190.db2.gz AFNHWENJQMDCDB-FQEVSTJZSA-N 1 2 459.428 4.440 20 0 JIADLO C[C@H](Oc1ccccc1C(F)(F)F)C(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC001358071579 1068008340 /nfs/dbraw/zinc/00/83/40/1068008340.db2.gz HMEDIOTURPIHMP-PNHOKKKMSA-N 1 2 456.892 4.314 20 0 JIADLO C[C@H](Oc1ccccc1C(F)(F)F)C(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC001358071579 1068008356 /nfs/dbraw/zinc/00/83/56/1068008356.db2.gz HMEDIOTURPIHMP-PNHOKKKMSA-N 1 2 456.892 4.314 20 0 JIADLO C/C(=C/c1ccc(Br)o1)C(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1C[N@H+](C)CCO1 ZINC001358071821 1068009261 /nfs/dbraw/zinc/00/92/61/1068009261.db2.gz JUORWIFYLFZXNO-KTLUYCRXSA-N 1 2 453.764 4.287 20 0 JIADLO C/C(=C/c1ccc(Br)o1)C(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC001358071821 1068009264 /nfs/dbraw/zinc/00/92/64/1068009264.db2.gz JUORWIFYLFZXNO-KTLUYCRXSA-N 1 2 453.764 4.287 20 0 JIADLO COC[C@@H](c1ccc(Cl)cc1)N(C)CC(=O)Nc1nc(C[NH+]2CCC(C)CC2)cs1 ZINC001473436773 1068169565 /nfs/dbraw/zinc/16/95/65/1068169565.db2.gz SJPQNBUVXFGVDE-FQEVSTJZSA-N 1 2 451.036 4.286 20 0 JIADLO CCn1cc(C[N@H+](CC(=O)N2N=C(c3ccccc3)C[C@@H]2c2ccc(OC)cc2)C(C)C)cn1 ZINC001473605264 1068267376 /nfs/dbraw/zinc/26/73/76/1068267376.db2.gz DXDDAALNKMVPDS-AREMUKBSSA-N 1 2 459.594 4.500 20 0 JIADLO CCn1cc(C[N@@H+](CC(=O)N2N=C(c3ccccc3)C[C@@H]2c2ccc(OC)cc2)C(C)C)cn1 ZINC001473605264 1068267391 /nfs/dbraw/zinc/26/73/91/1068267391.db2.gz DXDDAALNKMVPDS-AREMUKBSSA-N 1 2 459.594 4.500 20 0 JIADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)c1ccccc1Nc1cccc(C(F)(F)F)c1 ZINC000520188689 1068322232 /nfs/dbraw/zinc/32/22/32/1068322232.db2.gz NCJNIQWGYIYGNI-UHFFFAOYSA-N 1 2 459.472 4.230 20 0 JIADLO COc1cccc(-c2nnc(N3CCN(c4cc(C)[nH+]c(C(C)C)n4)CC3)n2C[C@H](C)SC)c1 ZINC001300389288 1068500225 /nfs/dbraw/zinc/50/02/25/1068500225.db2.gz PSZXFIYVJKNPQS-IBGZPJMESA-N 1 2 481.670 4.254 20 0 JIADLO CC[NH+](CC)Cc1csc(NC(=O)c2ccc(OC)c(S(=O)(=O)N[C@H]3CCCC[C@H]3C)c2)n1 ZINC001353719835 1068508562 /nfs/dbraw/zinc/50/85/62/1068508562.db2.gz QMQUZXLZWBKVEB-APWZRJJASA-N 1 2 494.683 4.103 20 0 JIADLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)c1ccc2c(c1)CN(C(=O)OC(C)(C)C)C2 ZINC001353922881 1068756631 /nfs/dbraw/zinc/75/66/31/1068756631.db2.gz RGFQYNMUNWIBLQ-UHFFFAOYSA-N 1 2 451.567 4.330 20 0 JIADLO COc1cccc(CNC(=S)NC2CC[NH+](Cc3ccc(Cl)cc3F)CC2)c1OC ZINC001200528760 1068827773 /nfs/dbraw/zinc/82/77/73/1068827773.db2.gz SPIQBLBFUFMWGJ-UHFFFAOYSA-N 1 2 451.995 4.125 20 0 JIADLO COc1ccccc1Cc1nnc(N(C)Cc2cc(Cl)ccn2)n1Cc1c[nH+]ccc1OC ZINC001300535409 1068954127 /nfs/dbraw/zinc/95/41/27/1068954127.db2.gz IVGWYWGZBIQJFI-UHFFFAOYSA-N 1 2 464.957 4.014 20 0 JIADLO COc1cccc(Cc2nnc(NC(=O)N3CC[NH+](CCOc4ccc(Cl)cc4)CC3)s2)c1 ZINC000504211349 1069132371 /nfs/dbraw/zinc/13/23/71/1069132371.db2.gz GTSOGPUPTIFPBC-UHFFFAOYSA-N 1 2 488.013 4.019 20 0 JIADLO CC(C)Cn1cc([C@H]2N(C(=O)[C@H](c3ccccc3)[NH+]3CCSCC3)CC23CCOCC3)cn1 ZINC000849531334 1069135437 /nfs/dbraw/zinc/13/54/37/1069135437.db2.gz CENNDVAUCJNTSU-BJKOFHAPSA-N 1 2 468.667 4.009 20 0 JIADLO CC[C@@H](C(=O)NCc1cc[nH+]c(N2CCN(c3ccc(F)cc3)CC2)c1)c1ccc(F)cc1 ZINC001354370650 1069146061 /nfs/dbraw/zinc/14/60/61/1069146061.db2.gz CLDPKYJTZOASNW-XMMPIXPASA-N 1 2 450.533 4.496 20 0 JIADLO C[C@@H]1C[N@H+](CCNC(=O)c2ccc(Oc3ccc(Br)cc3)c(F)c2)[C@@H](C)CO1 ZINC001300610242 1069213373 /nfs/dbraw/zinc/21/33/73/1069213373.db2.gz FVUDCZGDVHLUJJ-LSDHHAIUSA-N 1 2 451.336 4.220 20 0 JIADLO C[C@@H]1C[N@@H+](CCNC(=O)c2ccc(Oc3ccc(Br)cc3)c(F)c2)[C@@H](C)CO1 ZINC001300610242 1069213390 /nfs/dbraw/zinc/21/33/90/1069213390.db2.gz FVUDCZGDVHLUJJ-LSDHHAIUSA-N 1 2 451.336 4.220 20 0 JIADLO C[NH+]1CCN(C(=O)c2ccc(NC(=S)Nc3cc(F)cc(F)c3)cc2C(F)(F)F)CC1 ZINC001200673254 1069239621 /nfs/dbraw/zinc/23/96/21/1069239621.db2.gz MNCBDZGXZHAQHY-UHFFFAOYSA-N 1 2 458.456 4.180 20 0 JIADLO FC(F)(c1nc(Cl)cc(Cl)n1)N1CCO[C@@H](c2[nH+]cn3c2cccc3Br)C1 ZINC001164417481 718890058 /nfs/dbraw/zinc/89/00/58/718890058.db2.gz KTIHIUUFUJGSPK-SNVBAGLBSA-N 1 2 479.112 4.316 20 0 JIADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nc(Cl)nc3[nH]cc(F)c31)CC2 ZINC001164663883 719345791 /nfs/dbraw/zinc/34/57/91/719345791.db2.gz OJUBIVDPHVPKGM-UHFFFAOYSA-N 1 2 465.964 4.445 20 0 JIADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nc(Cl)nc3[nH]cc(F)c31)CC2 ZINC001164663883 719345793 /nfs/dbraw/zinc/34/57/93/719345793.db2.gz OJUBIVDPHVPKGM-UHFFFAOYSA-N 1 2 465.964 4.445 20 0 JIADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ccc(C(=O)NC(C)(C)C)cn1)CC2 ZINC001164663846 719350404 /nfs/dbraw/zinc/35/04/04/719350404.db2.gz NRADKWJZUJLNJV-UHFFFAOYSA-N 1 2 472.637 4.305 20 0 JIADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ccc(C(=O)NC(C)(C)C)cn1)CC2 ZINC001164663846 719350407 /nfs/dbraw/zinc/35/04/07/719350407.db2.gz NRADKWJZUJLNJV-UHFFFAOYSA-N 1 2 472.637 4.305 20 0 JIADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1cncc(N3CCCCC3)n1)CC2 ZINC001164660773 719352726 /nfs/dbraw/zinc/35/27/26/719352726.db2.gz ZCVBXKUTIWQNHW-UHFFFAOYSA-N 1 2 457.626 4.162 20 0 JIADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1cncc(N3CCCCC3)n1)CC2 ZINC001164660773 719352727 /nfs/dbraw/zinc/35/27/27/719352727.db2.gz ZCVBXKUTIWQNHW-UHFFFAOYSA-N 1 2 457.626 4.162 20 0 JIADLO O=C(c1cnc(N2CCC3(CC2)COCC[N@H+]3Cc2ccc(F)cc2)c(Cl)c1)N1CCCCC1 ZINC001164673378 719524594 /nfs/dbraw/zinc/52/45/94/719524594.db2.gz QTELGCKPOUKYNK-UHFFFAOYSA-N 1 2 487.019 4.372 20 0 JIADLO O=C(c1cnc(N2CCC3(CC2)COCC[N@@H+]3Cc2ccc(F)cc2)c(Cl)c1)N1CCCCC1 ZINC001164673378 719524598 /nfs/dbraw/zinc/52/45/98/719524598.db2.gz QTELGCKPOUKYNK-UHFFFAOYSA-N 1 2 487.019 4.372 20 0 JIADLO Fc1ccc(C[N@@H+]2CCOCC23CCN(c2nc(Cl)cc(-c4ccncc4)n2)CC3)cc1 ZINC001164677009 719529611 /nfs/dbraw/zinc/52/96/11/719529611.db2.gz AEBVJKRYMWTOHM-UHFFFAOYSA-N 1 2 453.949 4.203 20 0 JIADLO Fc1ccc(C[N@H+]2CCOCC23CCN(c2nc(Cl)cc(-c4ccncc4)n2)CC3)cc1 ZINC001164677009 719529627 /nfs/dbraw/zinc/52/96/27/719529627.db2.gz AEBVJKRYMWTOHM-UHFFFAOYSA-N 1 2 453.949 4.203 20 0 JIADLO NC(=O)c1ccc(-c2c[nH+]c3n2CCC32CCN(C(F)(F)c3cccc(Cl)n3)CC2)cc1 ZINC001164695417 719829880 /nfs/dbraw/zinc/82/98/80/719829880.db2.gz CNNBCCRLBAABRI-UHFFFAOYSA-N 1 2 457.912 4.184 20 0 JIADLO NC(=O)c1ccc(-c2c[nH+]c3n2CCC32CCN(C(F)(F)c3cc(Cl)ncc3F)CC2)cc1 ZINC001164698752 719830217 /nfs/dbraw/zinc/83/02/17/719830217.db2.gz UFYBRFMDSGLUIK-UHFFFAOYSA-N 1 2 475.902 4.323 20 0 JIADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1C(F)(F)c1ccc2nc(Cl)cc(Cl)c2c1 ZINC001164701893 719851210 /nfs/dbraw/zinc/85/12/10/719851210.db2.gz LNXVZEDIXTVWBW-VFNWGFHPSA-N 1 2 488.362 4.319 20 0 JIADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1cnc(-c2ccccc2)c(-c2ccccc2)n1 ZINC001164705629 719852586 /nfs/dbraw/zinc/85/25/86/719852586.db2.gz VAVIEEQIBPPJRA-FIPFOOKPSA-N 1 2 472.589 4.043 20 0 JIADLO CC(=O)NC[C@@H]1c2[nH+]cn(C(C)C)c2CCN1C(F)(F)c1cnc(Cl)c(-c2cccnc2)c1 ZINC001164726210 720316523 /nfs/dbraw/zinc/31/65/23/720316523.db2.gz YMAHXYWZLZHSFB-HXUWFJFHSA-N 1 2 474.943 4.359 20 0 JIADLO CC(=O)NC[C@@H]1c2[nH+]cn(C(C)C)c2CCN1C(F)(F)c1cc(-c2ccc(F)cc2)nnc1Cl ZINC001164725444 720317076 /nfs/dbraw/zinc/31/70/76/720317076.db2.gz VLTDOHSYAQWGSK-HXUWFJFHSA-N 1 2 492.933 4.498 20 0 JIADLO CC(=O)NC[C@@H]1c2[nH+]cn(C(C)C)c2CCN1C(F)(F)c1cc(-c2cccc(F)c2)nnc1Cl ZINC001164724556 720317618 /nfs/dbraw/zinc/31/76/18/720317618.db2.gz RAKGQSUBUGDMDN-HXUWFJFHSA-N 1 2 492.933 4.498 20 0 JIADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4nc(Cl)nc5c(Cl)cccc54)CC3)C2=O)cs1 ZINC001164824172 720367762 /nfs/dbraw/zinc/36/77/62/720367762.db2.gz KLEZYBMKFDAXJM-UHFFFAOYSA-N 1 2 491.448 4.015 20 0 JIADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4nc(Cl)nc5c(Cl)cccc54)CC3)C2=O)cs1 ZINC001164824172 720367766 /nfs/dbraw/zinc/36/77/66/720367766.db2.gz KLEZYBMKFDAXJM-UHFFFAOYSA-N 1 2 491.448 4.015 20 0 JIADLO COc1cccc(-c2cc(C(F)(F)N3CCCn4nnc(Cn5cc[nH+]c5)c4C3)cnc2Cl)c1 ZINC001164830024 720399389 /nfs/dbraw/zinc/39/93/89/720399389.db2.gz PEBDYLDXQCOQHL-UHFFFAOYSA-N 1 2 485.926 4.202 20 0 JIADLO O=c1cc(Cn2cc[nH+]c2)nc2n1CCCN(C(F)(F)c1ccc(-c3ccnc(Cl)c3)cc1)C2 ZINC001164859442 720895373 /nfs/dbraw/zinc/89/53/73/720895373.db2.gz RADIJWOEDYOELH-UHFFFAOYSA-N 1 2 482.922 4.159 20 0 JIADLO FC(F)(c1nc2ccsc2c(Cl)n1)N1Cc2c[nH+]cn2C[C@@H](COc2cccnc2)C1 ZINC001164766844 721273627 /nfs/dbraw/zinc/27/36/27/721273627.db2.gz OXJJSTPAQWJKIP-CYBMUJFWSA-N 1 2 462.913 4.197 20 0 JIADLO FC(F)(c1cc(Cl)nc(-c2ccncc2)n1)N1Cc2c[nH+]cn2C[C@H](COc2cccnc2)C1 ZINC001164770031 721275185 /nfs/dbraw/zinc/27/51/85/721275185.db2.gz SRMOTUZNKMAOKF-INIZCTEOSA-N 1 2 483.910 4.044 20 0 JIADLO Clc1ccc(OC(Cl)(Cl)N2Cc3c[nH+]cn3C[C@H](COc3cccnc3)C2)cn1 ZINC001164768105 721276487 /nfs/dbraw/zinc/27/64/87/721276487.db2.gz JVLUFEJDCXOQKR-AWEZNQCLSA-N 1 2 454.745 4.005 20 0 JIADLO c1ccc(C[N@@H+]2CCc3ncnc(N4CCO[C@]5(CCC[C@@H]5COCc5ccncc5)C4)c3C2)cc1 ZINC001164781276 721383212 /nfs/dbraw/zinc/38/32/12/721383212.db2.gz ITOFMUPZZXPTNU-VAVYLYDRSA-N 1 2 485.632 4.022 20 0 JIADLO c1ccc(C[N@H+]2CCc3ncnc(N4CCO[C@]5(CCC[C@@H]5COCc5ccncc5)C4)c3C2)cc1 ZINC001164781276 721383216 /nfs/dbraw/zinc/38/32/16/721383216.db2.gz ITOFMUPZZXPTNU-VAVYLYDRSA-N 1 2 485.632 4.022 20 0 JIADLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(c1nnc(-c3ccc(F)c(F)c3)c3ccccc31)C2 ZINC001165009983 721713034 /nfs/dbraw/zinc/71/30/34/721713034.db2.gz XNQLHPZAGDPQNE-UHFFFAOYSA-N 1 2 463.536 4.417 20 0 JIADLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(c1nnc(-c3ccc(F)c(F)c3)c3ccccc31)C2 ZINC001165009983 721713039 /nfs/dbraw/zinc/71/30/39/721713039.db2.gz XNQLHPZAGDPQNE-UHFFFAOYSA-N 1 2 463.536 4.417 20 0 JIADLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(c1nc(-c3cccnc3)nc3sc4c(c31)CCC4)C2 ZINC001165008998 721714541 /nfs/dbraw/zinc/71/45/41/721714541.db2.gz MQSVEZREDIOHIP-UHFFFAOYSA-N 1 2 474.638 4.084 20 0 JIADLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(c1nc(-c3cccnc3)nc3sc4c(c31)CCC4)C2 ZINC001165008998 721714543 /nfs/dbraw/zinc/71/45/43/721714543.db2.gz MQSVEZREDIOHIP-UHFFFAOYSA-N 1 2 474.638 4.084 20 0 JIADLO COc1cccc(-c2cc(C(F)(F)N3CCCn4c(C[N@H+](C)C(C)C)nnc4C3)c(Cl)nn2)c1 ZINC001165011300 721722520 /nfs/dbraw/zinc/72/25/20/721722520.db2.gz OSABSLHKJDOKCI-UHFFFAOYSA-N 1 2 491.974 4.193 20 0 JIADLO COc1cccc(-c2cc(C(F)(F)N3CCCn4c(C[N@@H+](C)C(C)C)nnc4C3)c(Cl)nn2)c1 ZINC001165011300 721722526 /nfs/dbraw/zinc/72/25/26/721722526.db2.gz OSABSLHKJDOKCI-UHFFFAOYSA-N 1 2 491.974 4.193 20 0 JIADLO C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(C(F)(F)c1nc3ccc(Cl)nc3[nH]1)C2 ZINC001164909601 721762779 /nfs/dbraw/zinc/76/27/79/721762779.db2.gz CPTQQRJZFQZTDL-UHFFFAOYSA-N 1 2 458.900 4.339 20 0 JIADLO C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(C(F)(F)c1nc3ccc(Cl)nc3[nH]1)C2 ZINC001164909601 721762781 /nfs/dbraw/zinc/76/27/81/721762781.db2.gz CPTQQRJZFQZTDL-UHFFFAOYSA-N 1 2 458.900 4.339 20 0 JIADLO COc1ccc2c(c1)nc(N1CCO[C@@]3(C1)COCC[N@H+](Cc1cccnc1)C3)cc2-c1ccccc1 ZINC001164913387 721794923 /nfs/dbraw/zinc/79/49/23/721794923.db2.gz CSKJDDZRMRVIMR-PMERELPUSA-N 1 2 496.611 4.413 20 0 JIADLO COc1ccc2c(c1)nc(N1CCO[C@@]3(C1)COCC[N@@H+](Cc1cccnc1)C3)cc2-c1ccccc1 ZINC001164913387 721794926 /nfs/dbraw/zinc/79/49/26/721794926.db2.gz CSKJDDZRMRVIMR-PMERELPUSA-N 1 2 496.611 4.413 20 0 JIADLO Cc1c[nH+]c2n1CCN(C)C21CCN(c2cc(C(=O)Nc3ccc(Cl)nc3)ccc2F)CC1 ZINC001164917457 721815734 /nfs/dbraw/zinc/81/57/34/721815734.db2.gz NYAZFTGWJVJQST-UHFFFAOYSA-N 1 2 468.964 4.072 20 0 JIADLO O=C1NCC[N@H+](Cc2ccccc2)C12CCN(c1ccc(-c3ccc(C4OCCCO4)cc3)cn1)CC2 ZINC001164945761 721976796 /nfs/dbraw/zinc/97/67/96/721976796.db2.gz FSMCYAFXOYVKJN-UHFFFAOYSA-N 1 2 498.627 4.155 20 0 JIADLO O=C1NCC[N@@H+](Cc2ccccc2)C12CCN(c1ccc(-c3ccc(C4OCCCO4)cc3)cn1)CC2 ZINC001164945761 721976797 /nfs/dbraw/zinc/97/67/97/721976797.db2.gz FSMCYAFXOYVKJN-UHFFFAOYSA-N 1 2 498.627 4.155 20 0 JIADLO Cc1ccccc1Oc1nc(Cl)ncc1N1CCC2(CC1)C(=O)NCC[N@H+]2Cc1ccccc1 ZINC001164949427 721981450 /nfs/dbraw/zinc/98/14/50/721981450.db2.gz PYGBQSHXYWBYCV-UHFFFAOYSA-N 1 2 477.996 4.202 20 0 JIADLO Cc1ccccc1Oc1nc(Cl)ncc1N1CCC2(CC1)C(=O)NCC[N@@H+]2Cc1ccccc1 ZINC001164949427 721981452 /nfs/dbraw/zinc/98/14/52/721981452.db2.gz PYGBQSHXYWBYCV-UHFFFAOYSA-N 1 2 477.996 4.202 20 0 JIADLO COc1ccccc1SCc1nnc(N2CCCC[C@H](C)C2)n1CC[N@@H+]1CCOCC1(C)C ZINC001300678058 1069434585 /nfs/dbraw/zinc/43/45/85/1069434585.db2.gz BIYFQOGQOPEOKX-FQEVSTJZSA-N 1 2 473.687 4.316 20 0 JIADLO COc1ccccc1SCc1nnc(N2CCCC[C@H](C)C2)n1CC[N@H+]1CCOCC1(C)C ZINC001300678058 1069434594 /nfs/dbraw/zinc/43/45/94/1069434594.db2.gz BIYFQOGQOPEOKX-FQEVSTJZSA-N 1 2 473.687 4.316 20 0 JIADLO CC(C)(C)c1nnc(N2CCN(c3cccc[nH+]3)CC2)n1Cc1sccc1Br ZINC001359513719 1069799755 /nfs/dbraw/zinc/79/97/55/1069799755.db2.gz FVYXSQUSWSETEY-UHFFFAOYSA-N 1 2 461.433 4.170 20 0 JIADLO CC(C)(C)c1nnc(N2CCO[C@](C)(C(C)(C)C)C2)n1C[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001359517511 1069804562 /nfs/dbraw/zinc/80/45/62/1069804562.db2.gz WAAUUPYDCCVRRR-CUNXSJBXSA-N 1 2 469.674 4.118 20 0 JIADLO CC(C)(C)c1nnc(N2CCO[C@](C)(C(C)(C)C)C2)n1C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001359517511 1069804564 /nfs/dbraw/zinc/80/45/64/1069804564.db2.gz WAAUUPYDCCVRRR-CUNXSJBXSA-N 1 2 469.674 4.118 20 0 JIADLO CC(C)(C)Cc1nnc(N2CCO[C@H](C(F)(F)F)C2)n1Cc1ccc(N2CCCCCC2)[nH+]c1 ZINC001359542191 1069840410 /nfs/dbraw/zinc/84/04/10/1069840410.db2.gz RUEXVHMYEUDATL-IBGZPJMESA-N 1 2 480.579 4.458 20 0 JIADLO CC(C)C(=O)N[C@H]1CCCN(c2nnc(-c3ccc(Cl)cc3)n2CCCNc2cccc[nH+]2)C1 ZINC001359620403 1070093401 /nfs/dbraw/zinc/09/34/01/1070093401.db2.gz QFUHAOIJBOWBSQ-NRFANRHFSA-N 1 2 482.032 4.237 20 0 JIADLO CC(C)c1nnc(N2CC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)n1Cc1ccccc1-n1cc[nH+]c1 ZINC001359691909 1070350334 /nfs/dbraw/zinc/35/03/34/1070350334.db2.gz BGRRWDZIWVFKOQ-WOJBJXKFSA-N 1 2 479.629 4.375 20 0 JIADLO COc1ccc(C[NH+]2CCN(c3nnc(-c4ccc[nH]4)n3CCSCC(C)C)CC2)cc1F ZINC001315504435 1064414626 /nfs/dbraw/zinc/41/46/26/1064414626.db2.gz CLSRBVLJUHZPBW-UHFFFAOYSA-N 1 2 472.634 4.132 20 0 JIADLO COc1ccc(C[NH+]2CCN(c3nnc([C@H]4CCCCO4)n3CCCCSC)CC2)cc1F ZINC001315505170 1064418145 /nfs/dbraw/zinc/41/81/45/1064418145.db2.gz NYPHFFBEFQEGKK-JOCHJYFZSA-N 1 2 477.650 4.133 20 0 JIADLO COc1ccc(Cl)cc1CN(C)c1nnc(CC(C)C)n1Cc1ccc(N2CCOCC2)[nH+]c1 ZINC001315509713 1064437677 /nfs/dbraw/zinc/43/76/77/1064437677.db2.gz FBVQHSJZZWRFEJ-UHFFFAOYSA-N 1 2 485.032 4.055 20 0 JIADLO COc1ccc(F)cc1C[NH+]1CCN(c2nnc(C3CCC3)n2C[C@@H](OC)C(C)(C)C)CC1 ZINC001315515462 1064462428 /nfs/dbraw/zinc/46/24/28/1064462428.db2.gz MZRWNUUUPMUCIM-JOCHJYFZSA-N 1 2 459.610 4.077 20 0 JIADLO COc1ccc(F)cc1C[NH+]1CCN(c2nnc(CC(C)C)n2C[C@H](OC)C(C)(C)C)CC1 ZINC001315515705 1064463352 /nfs/dbraw/zinc/46/33/52/1064463352.db2.gz QXTPDWYKMBRYKH-QFIPXVFZSA-N 1 2 461.626 4.008 20 0 JIADLO COc1cccc(-c2nnc(N3CC[NH+](Cc4cnc(C)s4)CC3)n2CC(C)(C)SC)c1 ZINC001315562446 1064589053 /nfs/dbraw/zinc/58/90/53/1064589053.db2.gz GBZYPARFXJSKSZ-UHFFFAOYSA-N 1 2 472.684 4.182 20 0 JIADLO COc1ccccc1Cc1nnc(N2CCS[C@@H](C(C)C)C2)n1CCCNc1cccc[nH+]1 ZINC001315631052 1064782016 /nfs/dbraw/zinc/78/20/16/1064782016.db2.gz JGCYRBDLXOFRRM-JOCHJYFZSA-N 1 2 466.655 4.353 20 0 JIADLO COc1ccccc1OCc1nnc(N2CCS[C@H](C)[C@H]2C)n1CCCNc1cccc[nH+]1 ZINC001315660143 1064856328 /nfs/dbraw/zinc/85/63/28/1064856328.db2.gz ZKLOTYPBHOHQEC-RTBURBONSA-N 1 2 468.627 4.093 20 0 JIADLO COc1cc[nH+]cc1Cn1c(-c2cccn2C)nnc1N(C)Cc1ccc(C(F)(F)F)cc1 ZINC001315669215 1064895396 /nfs/dbraw/zinc/89/53/96/1064895396.db2.gz JVBSPKYTGMWCPN-UHFFFAOYSA-N 1 2 456.472 4.391 20 0 JIADLO COc1cc[nH+]cc1Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCCC[C@H](SC)C1 ZINC001315670190 1064898993 /nfs/dbraw/zinc/89/89/93/1064898993.db2.gz RUBKWGZORYFCHM-IBGZPJMESA-N 1 2 469.611 4.136 20 0 JIADLO COc1cc[nH+]cc1Cn1c(CC(C)(C)C)nnc1N(CCO)Cc1ccc(Br)s1 ZINC001315671467 1064901373 /nfs/dbraw/zinc/90/13/73/1064901373.db2.gz GEXHUJVDEMHZAR-UHFFFAOYSA-N 1 2 494.459 4.142 20 0 JIADLO COc1cc[nH+]cc1Cn1c(CC(C)(C)C)nnc1N1CCC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC001315672242 1064902443 /nfs/dbraw/zinc/90/24/43/1064902443.db2.gz QTMKVXWXXXPVSQ-MOPGFXCFSA-N 1 2 486.661 4.448 20 0 JIADLO COc1cc[nH+]cc1Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCS[C@@H](C)[C@@H]1C ZINC001315673478 1064906731 /nfs/dbraw/zinc/90/67/31/1064906731.db2.gz CVYLOFXSYLOJCR-LNLFQRSKSA-N 1 2 488.658 4.132 20 0 JIADLO CO[C@@H]1CCCN(c2nnc([C@H](C)Oc3c(C)cc(Cl)cc3C)n2C[C@H](C)[NH+]2CCOCC2)C1 ZINC001315688281 1064941681 /nfs/dbraw/zinc/94/16/81/1064941681.db2.gz CGYXZLFSVGSPBE-JAXLGGSGSA-N 1 2 492.064 4.024 20 0 JIADLO CO[C@H]1CCCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2CCCc2cccc(C)[nH+]2)C1 ZINC001315701134 1064965027 /nfs/dbraw/zinc/96/50/27/1064965027.db2.gz IWQQHYRVTPKDRV-QHCPKHFHSA-N 1 2 498.672 4.344 20 0 JIADLO CO[C@@H]1CN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2Cc2ccc(N(C)C)[nH+]c2)CC[C@H]1C ZINC001315711274 1064988343 /nfs/dbraw/zinc/98/83/43/1064988343.db2.gz APNIXZODMKGTSI-NHCICSSKSA-N 1 2 478.641 4.405 20 0 JIADLO COCC1(C)CCN(c2nnc([C@@H]3CCCOC3)n2C[C@@H](c2c(F)cccc2F)[NH+](C)C)CC1 ZINC001315831819 1065196603 /nfs/dbraw/zinc/19/66/03/1065196603.db2.gz SGGDYWPNVKTUBF-NQIIRXRSSA-N 1 2 477.600 4.006 20 0 JIADLO COC[C@@H]1CCCCN(c2nnc(Cc3ccccn3)n2C[C@H](c2c(F)cccc2F)[NH+](C)C)C1 ZINC001315883906 1065327251 /nfs/dbraw/zinc/32/72/51/1065327251.db2.gz WEIRYICFWJOTMH-AUSIDOKSSA-N 1 2 484.595 4.098 20 0 JIADLO COC[C@H]1CCCCN(c2nnc(COc3cc(C)cc(C)c3)n2Cc2ccc(N(C)C)[nH+]c2)C1 ZINC001315888461 1065342411 /nfs/dbraw/zinc/34/24/11/1065342411.db2.gz YTIOTSSROMMNCB-QHCPKHFHSA-N 1 2 478.641 4.236 20 0 JIADLO COCCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CC[NH+](Cc2cnc(C)s2)CC1 ZINC001316037480 1065654444 /nfs/dbraw/zinc/65/44/44/1065654444.db2.gz RTZOWJHQENLVAS-UHFFFAOYSA-N 1 2 481.453 4.376 20 0 JIADLO COCCN(CC(C)C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1CC1([NH+]2CCOCC2)CC1 ZINC001316084096 1065733754 /nfs/dbraw/zinc/73/37/54/1065733754.db2.gz DPJPYAPMZFWYQT-UHFFFAOYSA-N 1 2 469.674 4.216 20 0 JIADLO COCCN(CC(C)C)c1nnc(-c2ccc(Cl)cc2)n1Cc1ccc(N2CCO[C@H](C)C2)[nH+]c1 ZINC001316087615 1065741241 /nfs/dbraw/zinc/74/12/41/1065741241.db2.gz YZCSBOOGPYCRAX-HXUWFJFHSA-N 1 2 499.059 4.376 20 0 JIADLO COCCO[C@@H](C)c1nnc(N2CCC(C)(C)CC2)n1Cc1cc[nH+]c(N2CCCCC2)c1 ZINC001316170520 1065842454 /nfs/dbraw/zinc/84/24/54/1065842454.db2.gz MJJQIZPZBGWINH-FQEVSTJZSA-N 1 2 456.635 4.062 20 0 JIADLO CSC(C)(C)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CC[NH+](Cc2cc(C)no2)CC1 ZINC001316364962 1066103288 /nfs/dbraw/zinc/10/32/88/1066103288.db2.gz KVYUIPHBLSMAQG-UHFFFAOYSA-N 1 2 492.596 4.307 20 0 JIADLO CS[C@H](C)Cn1c(-c2ccc(C)o2)nnc1N(C)C[C@H](c1cccs1)[NH+]1CCOCC1 ZINC001316376623 1066138868 /nfs/dbraw/zinc/13/88/68/1066138868.db2.gz SBIKRHJRYWJBOK-QZTJIDSGSA-N 1 2 461.657 4.169 20 0 JIADLO CS[C@@H]1CCCCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCCc2cccc(C)[nH+]2)C1 ZINC001316422478 1066230975 /nfs/dbraw/zinc/23/09/75/1066230975.db2.gz IATTURDEYQEUFW-JOCHJYFZSA-N 1 2 499.706 4.407 20 0 JIADLO CSc1ccccc1CN(C)c1nnc([C@@H]2CCCOC2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001316423353 1066234701 /nfs/dbraw/zinc/23/47/01/1066234701.db2.gz FYSGLZYXLVMROP-HXUWFJFHSA-N 1 2 452.628 4.040 20 0 JIADLO C[C@@]1(c2ccc(OC(F)(F)F)cc2)NC(=O)N(C[NH+]2CCC(c3nc4ccccc4o3)CC2)C1=O ZINC001325683812 1066260810 /nfs/dbraw/zinc/26/08/10/1066260810.db2.gz KIASFQSWEVAZDW-QHCPKHFHSA-N 1 2 488.466 4.331 20 0 JIADLO CSC[C@@H]1CCCN1c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@H](C)[NH+]1CCOCC1 ZINC001316434625 1066283175 /nfs/dbraw/zinc/28/31/75/1066283175.db2.gz OZUOKNSNUDANIA-BJLQDIEVSA-N 1 2 480.078 4.124 20 0 JIADLO CSCC[C@H](C)N(C)c1nnc(-c2ccccn2)n1C[C@@H](c1c(F)cccc1F)[NH+](C)C ZINC001316445531 1066314809 /nfs/dbraw/zinc/31/48/09/1066314809.db2.gz IGDNDEHCWJDJPT-JXFKEZNVSA-N 1 2 460.598 4.499 20 0 JIADLO CSCCCCCn1c(-c2ccc(Cl)nc2)nnc1N1CC[NH+](Cc2cc(C)no2)CC1 ZINC001316452604 1066335729 /nfs/dbraw/zinc/33/57/29/1066335729.db2.gz VEGGCVSODOSYJM-UHFFFAOYSA-N 1 2 476.050 4.145 20 0 JIADLO CC[NH+](CC)Cc1csc(NC(=O)c2cccc(S(=O)(=O)N3c4ccccc4C[C@@H]3C)c2)n1 ZINC001332164074 1066372220 /nfs/dbraw/zinc/37/22/20/1066372220.db2.gz GBHZERDPYRKYNC-KRWDZBQOSA-N 1 2 484.647 4.377 20 0 JIADLO CSCCCN(C)c1nnc(COc2cccc(C)c2)n1C[C@@H]1CCCn2cc(C)[nH+]c21 ZINC001316469472 1066374796 /nfs/dbraw/zinc/37/47/96/1066374796.db2.gz FLQHAZHVCRWCLO-FQEVSTJZSA-N 1 2 454.644 4.437 20 0 JIADLO CSCCCn1c(CC(C)(C)C)nnc1N(C)C[C@H](c1cccs1)[NH+]1CCOCC1 ZINC001316476019 1066386935 /nfs/dbraw/zinc/38/69/35/1066386935.db2.gz JGZORNFZGIWAGM-GOSISDBHSA-N 1 2 451.706 4.191 20 0 JIADLO Cc1cccc(CCCn2c(C(C)C)nnc2N2CC[C@H](CN(C)C(=O)OC(C)(C)C)C2)[nH+]1 ZINC001492524978 1066399564 /nfs/dbraw/zinc/39/95/64/1066399564.db2.gz DWBPTDQOTZWKJI-HXUWFJFHSA-N 1 2 456.635 4.431 20 0 JIADLO Cc1cccc(CCCn2c(-c3ccc(Br)cc3)nnc2N(C)CCn2cccn2)[nH+]1 ZINC001492525179 1066403689 /nfs/dbraw/zinc/40/36/89/1066403689.db2.gz LGDNEYZGBMWRFC-UHFFFAOYSA-N 1 2 480.414 4.377 20 0 JIADLO Cc1cccc(CCCn2c(C(=O)N3CCCC3)nnc2N(C)[C@H](C)c2ccc(F)c(F)c2)[nH+]1 ZINC001492525299 1066404937 /nfs/dbraw/zinc/40/49/37/1066404937.db2.gz PMNONEOVOCQXAC-GOSISDBHSA-N 1 2 468.552 4.326 20 0 JIADLO Cc1cccc(-c2nnc(N3CCC(C(=O)C(F)(F)F)CC3)n2CCCc2cccc(C)[nH+]2)n1 ZINC001492526432 1066414815 /nfs/dbraw/zinc/41/48/15/1066414815.db2.gz YMJKSNYRKPPLRW-UHFFFAOYSA-N 1 2 472.515 4.333 20 0 JIADLO Cc1cccc(CCCn2c([C@@H]3CCCOC3)nnc2N2CCC(NC(=O)OC(C)(C)C)CC2)[nH+]1 ZINC001492526404 1066414905 /nfs/dbraw/zinc/41/49/05/1066414905.db2.gz XMDATJSPRPWQPS-HXUWFJFHSA-N 1 2 484.645 4.002 20 0 JIADLO Cc1cccc(CCCn2c(N3CC[C@@H](CNC(=O)OC(C)(C)C)C3)nnc2C(C)(C)C)[nH+]1 ZINC001492527219 1066419662 /nfs/dbraw/zinc/41/96/62/1066419662.db2.gz CHHBTVJKORIUAS-IBGZPJMESA-N 1 2 456.635 4.263 20 0 JIADLO Cc1cccc(CCCn2c(CCc3ccccc3)nnc2N2CCN(CC(C)C)C(=O)[C@@H]2C)[nH+]1 ZINC001492527282 1066421282 /nfs/dbraw/zinc/42/12/82/1066421282.db2.gz YLTNUMHCWVOIHN-QHCPKHFHSA-N 1 2 474.653 4.093 20 0 JIADLO Cc1ccc(Cn2ncc3c2nc(C)cc3C(=O)Nc2cccc(C[NH+]3CCOCC3)c2)cc1 ZINC001337797771 1066512785 /nfs/dbraw/zinc/51/27/85/1066512785.db2.gz UUJUWHNTEPDIMX-UHFFFAOYSA-N 1 2 455.562 4.181 20 0 JIADLO C[C@H]1C[NH+](Cc2ccccc2NC(=O)NCc2ccc(-n3cnc4ccccc43)nc2)C[C@H](C)O1 ZINC001338029265 1066526378 /nfs/dbraw/zinc/52/63/78/1066526378.db2.gz XVPSEPOGVORZSU-PMACEKPBSA-N 1 2 470.577 4.351 20 0 JIADLO O=C(Nc1ccc2nc(C[NH+]3CCCCC3)[nH]c2c1)[C@H]1CCN(c2cccc(Br)c2)C1=O ZINC001338428631 1066553989 /nfs/dbraw/zinc/55/39/89/1066553989.db2.gz CIPKZGUWUQHKDC-LJQANCHMSA-N 1 2 496.409 4.303 20 0 JIADLO Cc1cccc(OCc2nnc(N(C)CC3CC(F)(F)C3)n2Cc2ccc(N(C)C)[nH+]c2)c1 ZINC001492538335 1066604385 /nfs/dbraw/zinc/60/43/85/1066604385.db2.gz APANECSLCHJWOM-UHFFFAOYSA-N 1 2 456.541 4.156 20 0 JIADLO CCC1CCC2(CC1)NC(=O)N(CC(=O)O[C@@H](Cn1cc[nH+]c1)c1ccc(Cl)cc1Cl)C2=O ZINC001343409022 1066613473 /nfs/dbraw/zinc/61/34/73/1066613473.db2.gz NHBRKCSURHIWQX-PELQFQBLSA-N 1 2 493.391 4.365 20 0 JIADLO C[C@@H](Sc1nnc(C[NH+]2CCCCC2)n1-c1ccc(OC(F)F)cc1)C(=O)NCc1ccco1 ZINC001317634242 1066628177 /nfs/dbraw/zinc/62/81/77/1066628177.db2.gz MQWICWYDNLCNAY-MRXNPFEDSA-N 1 2 491.564 4.245 20 0 JIADLO Cc1ccc(S(=O)(=O)NCCC(=O)O[C@H](Cn2cc[nH+]c2)c2ccc(Cl)cc2Cl)cc1C ZINC001344515353 1066629647 /nfs/dbraw/zinc/62/96/47/1066629647.db2.gz VWNGTJZSQDNYAN-OAQYLSRUSA-N 1 2 496.416 4.460 20 0 JIADLO Cc1oc(C(=O)O[C@@H](Cn2cc[nH+]c2)c2ccc(Cl)cc2Cl)cc1S(=O)(=O)N1CCCC1 ZINC001345106525 1066639100 /nfs/dbraw/zinc/63/91/00/1066639100.db2.gz QASWWLRODQDXIO-IBGZPJMESA-N 1 2 498.388 4.474 20 0 JIADLO COc1ccc(C(=O)O[C@@H](Cn2cc[nH+]c2)c2ccc(Cl)cc2Cl)cc1S(=O)(=O)N(C)C ZINC001345824367 1066647419 /nfs/dbraw/zinc/64/74/19/1066647419.db2.gz MFPCASMMQPOLTN-IBGZPJMESA-N 1 2 498.388 4.047 20 0 JIADLO COc1ccc(N(Cc2ccc(C(C)C)cc2)C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)cc1 ZINC001348387565 1066741913 /nfs/dbraw/zinc/74/19/13/1066741913.db2.gz ASXWXAYVAWNLIU-FTJBHMTQSA-N 1 2 452.595 4.232 20 0 JIADLO O=C(NCc1cc[nH+]c(N2CCN(c3ccc(F)cc3)CC2)c1)N1CC[C@@H]2CCCC[C@H]2C1 ZINC001317868457 1066744170 /nfs/dbraw/zinc/74/41/70/1066744170.db2.gz SATYIONEONZVDP-VXKWHMMOSA-N 1 2 451.590 4.269 20 0 JIADLO COc1cccc(/C=C2/CCc3c2nc2ccccc2c3C(=O)NCCc2[nH+]ccn2C)c1OC ZINC001348614023 1066763709 /nfs/dbraw/zinc/76/37/09/1066763709.db2.gz AYYHOVJZJPJMAB-ZCXUNETKSA-N 1 2 468.557 4.445 20 0 JIADLO O=C([C@H]1CCN(CC(F)(F)F)C1)N1CC[NH+](Cc2ccc(-c3ccccc3F)s2)CC1 ZINC001348922051 1066790545 /nfs/dbraw/zinc/79/05/45/1066790545.db2.gz OITFZNGGJQJYPZ-INIZCTEOSA-N 1 2 455.521 4.083 20 0 JIADLO Cc1cc(C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)nn1-c1ccc(Cl)cc1Cl ZINC001349102018 1066808454 /nfs/dbraw/zinc/80/84/54/1066808454.db2.gz MFCHTPBYXYAJPB-LJQANCHMSA-N 1 2 459.377 4.118 20 0 JIADLO Cc1cc(C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)nn1-c1ccc(Cl)cc1Cl ZINC001349102018 1066808459 /nfs/dbraw/zinc/80/84/59/1066808459.db2.gz MFCHTPBYXYAJPB-LJQANCHMSA-N 1 2 459.377 4.118 20 0 JIADLO C[NH+]1CCN(C(=O)c2ccccc2NC(=O)c2sc3ccccc3c2Br)CC1 ZINC001349743702 1066880053 /nfs/dbraw/zinc/88/00/53/1066880053.db2.gz AWDJDNRGIOEPSJ-UHFFFAOYSA-N 1 2 458.381 4.304 20 0 JIADLO Cc1cc(N2CCOCC2)ccc1NC(=O)[C@H](c1cccc(Br)c1)[NH+]1CCCC1 ZINC001350237144 1066935348 /nfs/dbraw/zinc/93/53/48/1066935348.db2.gz JZXSTAVYEYGGRL-QFIPXVFZSA-N 1 2 458.400 4.370 20 0 JIADLO COc1ncc(/C=C\C(=O)NC[C@H](c2ccc(Cl)cc2)[N@@H+]2CCc3sccc3C2)cn1 ZINC001350340422 1066945696 /nfs/dbraw/zinc/94/56/96/1066945696.db2.gz OEGQCZHXRTXJGH-ZONBSOLPSA-N 1 2 454.983 4.129 20 0 JIADLO COc1ncc(/C=C\C(=O)NC[C@H](c2ccc(Cl)cc2)[N@H+]2CCc3sccc3C2)cn1 ZINC001350340422 1066945702 /nfs/dbraw/zinc/94/57/02/1066945702.db2.gz OEGQCZHXRTXJGH-ZONBSOLPSA-N 1 2 454.983 4.129 20 0 JIADLO CS(=O)(=O)Cc1c2ccccc2oc1C(=O)Nc1ccc2nc(C[NH+]3CCCCC3)[nH]c2c1 ZINC001318209896 1066960113 /nfs/dbraw/zinc/96/01/13/1066960113.db2.gz JINBZJJDFIQUPA-UHFFFAOYSA-N 1 2 466.563 4.092 20 0 JIADLO Cc1cc(C[NH+]2CCN(c3nnc(COc4cccc(C)c4)n3CCCC(F)(F)F)CC2)on1 ZINC001492548116 1066985545 /nfs/dbraw/zinc/98/55/45/1066985545.db2.gz SHIGUEOOZPRZPB-UHFFFAOYSA-N 1 2 478.519 4.127 20 0 JIADLO C[C@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)N[C@@H]1CCCc2c1cnn2Cc1ccccc1 ZINC001318258652 1066987774 /nfs/dbraw/zinc/98/77/74/1066987774.db2.gz ALQZPDXVPKNMFU-YIXXDRMTSA-N 1 2 487.648 4.241 20 0 JIADLO O=C(Nc1ccc2nc(C[NH+]3CCCCC3)[nH]c2c1)[C@@H]1CSCN1C(=O)c1ccc(Cl)cc1 ZINC001318304865 1067008998 /nfs/dbraw/zinc/00/89/98/1067008998.db2.gz QTNBQHACJWNDAA-NRFANRHFSA-N 1 2 484.025 4.356 20 0 JIADLO Cc1cc(CN2CCCN(C(=O)NCc3ccccc3-c3ccc(Cn4cc[nH+]c4)cc3)CC2)no1 ZINC001318320646 1067015930 /nfs/dbraw/zinc/01/59/30/1067015930.db2.gz LFVSMRFRFAWGAD-UHFFFAOYSA-N 1 2 484.604 4.312 20 0 JIADLO Cc1c(C(=O)Nc2ccc3nc(C[NH+]4CCCCC4)[nH]c3c2)nnn1-c1cccc2cnccc21 ZINC001318326670 1067018921 /nfs/dbraw/zinc/01/89/21/1067018921.db2.gz IGARXZZGVIZNGG-UHFFFAOYSA-N 1 2 466.549 4.238 20 0 JIADLO CCN(CC)S(=O)(=O)c1ccc(Cl)c(NC(=O)[C@H](c2cccc(Cl)c2)[NH+](C)C)c1 ZINC001350983110 1067027035 /nfs/dbraw/zinc/02/70/35/1067027035.db2.gz QLMSYRRPPNALAL-IBGZPJMESA-N 1 2 458.411 4.265 20 0 JIADLO Cn1ccnc1SCc1ccc(C(=O)Nc2ccc3nc(C[NH+]4CCCCC4)[nH]c3c2)o1 ZINC001318418603 1067040255 /nfs/dbraw/zinc/04/02/55/1067040255.db2.gz RWAFRYCEKLWVPB-UHFFFAOYSA-N 1 2 450.568 4.420 20 0 JIADLO COc1cc[nH+]cc1Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N(C)[C@H]1CCSC1 ZINC001300693640 1067045786 /nfs/dbraw/zinc/04/57/86/1067045786.db2.gz IKVUBEJDUIKFGD-YJBOKZPZSA-N 1 2 460.003 4.465 20 0 JIADLO COc1cc[nH+]cc1Cn1c(-c2ccc(C)c(Br)c2)nnc1N1C[C@@H](C)OC(C)(C)C1 ZINC001300694342 1067048664 /nfs/dbraw/zinc/04/86/64/1067048664.db2.gz QLOWFSNLXDGDAX-MRXNPFEDSA-N 1 2 486.414 4.472 20 0 JIADLO COc1cc[nH+]cc1Cn1c([C@@H](C)Oc2ccccc2F)nnc1N(C)Cc1cscn1 ZINC001300694789 1067049726 /nfs/dbraw/zinc/04/97/26/1067049726.db2.gz XISINCXCRQJIAA-OAHLLOKOSA-N 1 2 454.531 4.102 20 0 JIADLO COc1cc[nH+]cc1Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCO[C@@H](C(C)(C)C)C1 ZINC001300694979 1067050004 /nfs/dbraw/zinc/05/00/04/1067050004.db2.gz ZEMLONYUYVVPJS-HXUWFJFHSA-N 1 2 459.953 4.441 20 0 JIADLO COc1cc[nH+]cc1Cn1c(Cn2nc(C)cc2C)nnc1N(C)C/C(C)=C/c1ccccc1 ZINC001300694908 1067050262 /nfs/dbraw/zinc/05/02/62/1067050262.db2.gz HKQDRXRRYAJLIH-CPNJWEJPSA-N 1 2 457.582 4.131 20 0 JIADLO COc1cc[nH+]cc1Cn1c(C2CCCC2)nnc1N1CC[C@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC001300696695 1067054421 /nfs/dbraw/zinc/05/44/21/1067054421.db2.gz GQTCDCRPBJFPMT-GOSISDBHSA-N 1 2 470.618 4.081 20 0 JIADLO COc1cc[nH+]cc1Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCS[C@H](C)[C@@H]1C ZINC001300702872 1067066756 /nfs/dbraw/zinc/06/67/56/1067066756.db2.gz XSQDDHHZJANKBI-RBUKOAKNSA-N 1 2 453.612 4.256 20 0 JIADLO O=C(C[NH+]1CCC(NC(=O)c2c(F)ccc(SCC3CC3)c2F)CC1)Nc1ccccc1 ZINC001354753984 1067077390 /nfs/dbraw/zinc/07/73/90/1067077390.db2.gz LZCIUBRMCOPWNP-UHFFFAOYSA-N 1 2 459.562 4.300 20 0 JIADLO CC(C)(C)OC(=O)N1CCC[C@@H](C2CCN(C(=O)c3ccc(Cn4cc[nH+]c4)cc3)CC2)C1 ZINC001300709246 1067080002 /nfs/dbraw/zinc/08/00/02/1067080002.db2.gz VOUVXCFYQZJHEN-HSZRJFAPSA-N 1 2 452.599 4.431 20 0 JIADLO COc1ccc(C2N=NC(=S)N2CCC(=O)Nc2ccc3nc(C[NH+]4CCCCC4)[nH]c3c2)cc1 ZINC001321487765 1067145096 /nfs/dbraw/zinc/14/50/96/1067145096.db2.gz KEVRHGAMYBSVKS-UHFFFAOYSA-N 1 2 491.621 4.133 20 0 JIADLO C[C@@H]1C[N@H+](C(C)(C)CNC(=O)c2cc(-c3ccc(Br)cc3)ns2)C[C@H](C)O1 ZINC001351677808 1067165487 /nfs/dbraw/zinc/16/54/87/1067165487.db2.gz UHBWUDPZDGGWKC-OKILXGFUSA-N 1 2 452.418 4.190 20 0 JIADLO C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)c2cc(-c3ccc(Br)cc3)ns2)C[C@H](C)O1 ZINC001351677808 1067165507 /nfs/dbraw/zinc/16/55/07/1067165507.db2.gz UHBWUDPZDGGWKC-OKILXGFUSA-N 1 2 452.418 4.190 20 0 JIADLO Cc1cc(N2CCN(C(=O)CSCc3ccc(OCc4ccccn4)cc3)CC2)nc(C(C)C)[nH+]1 ZINC001321633929 1067184189 /nfs/dbraw/zinc/18/41/89/1067184189.db2.gz GLSIZFQXPMBSSQ-UHFFFAOYSA-N 1 2 491.661 4.464 20 0 JIADLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)N3CCC([C@@H]4C(=O)Nc5ccccc54)CC3)n2)C1 ZINC001322346771 1067278623 /nfs/dbraw/zinc/27/86/23/1067278623.db2.gz MZFSCFPYXISRCM-KKSFZXQISA-N 1 2 453.612 4.355 20 0 JIADLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)N3CCC([C@@H]4C(=O)Nc5ccccc54)CC3)n2)C1 ZINC001322346771 1067278649 /nfs/dbraw/zinc/27/86/49/1067278649.db2.gz MZFSCFPYXISRCM-KKSFZXQISA-N 1 2 453.612 4.355 20 0 JIADLO CO[C@@H]1CCCN(c2nnc(COc3cc(C)ccc3C(C)C)n2Cc2ccc(N(C)C)[nH+]c2)C1 ZINC001300772761 1067323137 /nfs/dbraw/zinc/32/31/37/1067323137.db2.gz MLUUAHRNAULQLS-JOCHJYFZSA-N 1 2 478.641 4.413 20 0 JIADLO C[NH+]1CCN(C(=O)c2ccccc2NC(=O)/C=C/c2ccccc2OCc2ccccc2)CC1 ZINC001352334975 1067334326 /nfs/dbraw/zinc/33/43/26/1067334326.db2.gz WYEWCJPFXHHKOX-FOCLMDBBSA-N 1 2 455.558 4.305 20 0 JIADLO COc1ccc(-c2nnc(N(C)Cc3ccc(Br)o3)n2Cc2ccc(N(C)C)[nH+]c2)cc1 ZINC001300003756 1067348472 /nfs/dbraw/zinc/34/84/72/1067348472.db2.gz YZDICJYRQUQLST-UHFFFAOYSA-N 1 2 497.397 4.455 20 0 JIADLO CC(=O)c1ccc(Oc2ccc(C(=O)Nc3ccccc3C(=O)N3CC[NH+](C)CC3)cc2)cc1 ZINC001355034715 1067351751 /nfs/dbraw/zinc/35/17/51/1067351751.db2.gz ZNXFSRGWXMHHJZ-UHFFFAOYSA-N 1 2 457.530 4.321 20 0 JIADLO O=C([C@@H]1C[C@@H]1c1cc(F)c(F)c(F)c1)N1CC[NH+](Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC001355325646 1067420979 /nfs/dbraw/zinc/42/09/79/1067420979.db2.gz QWTIDVXGCYYEPF-IAGOWNOFSA-N 1 2 458.402 4.450 20 0 JIADLO COc1ccc(-c2nnc(N3CCC[C@@](C)(OC)CC3)n2CCCNc2cccc[nH+]2)cc1 ZINC001300052029 1067520326 /nfs/dbraw/zinc/52/03/26/1067520326.db2.gz SRVRQQFRRRKOQQ-RUZDIDTESA-N 1 2 450.587 4.246 20 0 JIADLO CCOc1cc(Br)ccc1NC(=O)c1cccc(NC(=O)CCn2cc[nH+]c2)c1 ZINC001355690069 1067552410 /nfs/dbraw/zinc/55/24/10/1067552410.db2.gz XPYZGMFOWRWPIN-UHFFFAOYSA-N 1 2 457.328 4.325 20 0 JIADLO C[C@@H](NC(=O)c1cccc(NC(=O)CCn2cc[nH+]c2)c1)c1ccc(OCC2CC2)c(F)c1 ZINC001355885195 1067598550 /nfs/dbraw/zinc/59/85/50/1067598550.db2.gz GJIPSTBUVZQOSE-QGZVFWFLSA-N 1 2 450.514 4.331 20 0 JIADLO CC(C)(C)OC(=O)N1CCc2c(cccc2C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)C1 ZINC001356042845 1067643174 /nfs/dbraw/zinc/64/31/74/1067643174.db2.gz BMOIPMFYUVQLDU-UHFFFAOYSA-N 1 2 450.514 4.235 20 0 JIADLO COc1ccc(C[C@@H](C)CN(C)c2nnc(-c3cccc(C)n3)n2Cc2c[nH+]ccc2OC)cc1 ZINC001300099904 1067673150 /nfs/dbraw/zinc/67/31/50/1067673150.db2.gz NWFJPJRIAMMUPL-LJQANCHMSA-N 1 2 472.593 4.424 20 0 JIADLO O=C(Nc1cccc(C[NH+]2CCOCC2)c1)c1cnc(Nc2ccccc2)nc1C(F)(F)F ZINC001356167191 1067680749 /nfs/dbraw/zinc/68/07/49/1067680749.db2.gz YLYPJYDXGQSZFM-UHFFFAOYSA-N 1 2 457.456 4.324 20 0 JIADLO Cc1nc(C[N@@H+]2CCO[C@@H]3CN(C(=S)Nc4ccc(C)cc4Br)CC[C@@H]3C2)cs1 ZINC001200146589 1067754214 /nfs/dbraw/zinc/75/42/14/1067754214.db2.gz BYAUDFKVCWADQW-OXQOHEQNSA-N 1 2 495.512 4.442 20 0 JIADLO Cc1nc(C[N@H+]2CCO[C@@H]3CN(C(=S)Nc4ccc(C)cc4Br)CC[C@@H]3C2)cs1 ZINC001200146589 1067754226 /nfs/dbraw/zinc/75/42/26/1067754226.db2.gz BYAUDFKVCWADQW-OXQOHEQNSA-N 1 2 495.512 4.442 20 0 JIADLO Cc1ccc(NC(=S)N2Cc3c[nH+]cn3C[C@@H](COc3ccccn3)C2)c(Br)c1 ZINC001200148748 1067762657 /nfs/dbraw/zinc/76/26/57/1067762657.db2.gz MXIICWZNLONBAJ-INIZCTEOSA-N 1 2 472.412 4.257 20 0 JIADLO CN(CCOc1ccccc1C(=O)NCc1ccc(-n2cc[nH+]c2)cc1)C(=O)OC(C)(C)C ZINC001356547675 1067775487 /nfs/dbraw/zinc/77/54/87/1067775487.db2.gz MHTSEFKKITWSHE-UHFFFAOYSA-N 1 2 450.539 4.048 20 0 JIADLO CN(CC1CCN(C(=O)OC(C)(C)C)CC1)C(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC001200172912 1067806953 /nfs/dbraw/zinc/80/69/53/1067806953.db2.gz FHFCGWXPMSBTHR-UHFFFAOYSA-N 1 2 457.575 4.073 20 0 JIADLO C[C@H]1CN(c2ccc(Cl)c(F)c2)CCN1C(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC001200176037 1067809926 /nfs/dbraw/zinc/80/99/26/1067809926.db2.gz YIKITTXWJNPOEP-KRWDZBQOSA-N 1 2 457.937 4.497 20 0 JIADLO O=C(Nc1ccccc1OCCn1cc[nH+]c1)N[C@@H]1CCN(c2ccccc2C(F)(F)F)C1 ZINC001200176015 1067810018 /nfs/dbraw/zinc/81/00/18/1067810018.db2.gz XWZYUYZAJPIQQC-QGZVFWFLSA-N 1 2 459.472 4.381 20 0 JIADLO C[C@@H](c1cccc(NC(=O)N[C@@H]2CCCN(c3ccccc3Cl)C2=O)c1)[NH+]1CCOCC1 ZINC001200234026 1067878352 /nfs/dbraw/zinc/87/83/52/1067878352.db2.gz YBHUJPONMZCEQI-LAUBAEHRSA-N 1 2 456.974 4.050 20 0 JIADLO CO[C@@H](c1ccc(Br)cc1)[C@H](C)NC(=O)Cn1c(C)[nH+]c2cc(F)c(F)cc21 ZINC001357730398 1067892190 /nfs/dbraw/zinc/89/21/90/1067892190.db2.gz CQBATFWHSFMLLC-PRWKNARSSA-N 1 2 452.299 4.278 20 0 JIADLO COc1ccc(C[NH+]2CCN(c3nnc(C(C)(C)C)n3C[C@H]3CCCO[C@@H]3C(C)C)CC2)cc1F ZINC001300230912 1067911608 /nfs/dbraw/zinc/91/16/08/1067911608.db2.gz NKBJTVLSEBQPFJ-ZJSXRUAMSA-N 1 2 487.664 4.497 20 0 JIADLO COc1ccc(F)cc1C[NH+]1CCN(c2nnc(C(C)C)n2C[C@@H](C)c2c(C)noc2C)CC1 ZINC001300244862 1067963443 /nfs/dbraw/zinc/96/34/43/1067963443.db2.gz AFUSBCIPVPVWAB-QGZVFWFLSA-N 1 2 470.593 4.280 20 0 JIADLO Cc1ccc(-c2cnc(CCC(=O)N[C@H](c3ccc(Cl)cc3)[C@H]3C[N@H+](C)CCO3)o2)cc1 ZINC001358071172 1068007649 /nfs/dbraw/zinc/00/76/49/1068007649.db2.gz BOESFMPXPRMVBF-RCZVLFRGSA-N 1 2 453.970 4.424 20 0 JIADLO Cc1ccc(-c2cnc(CCC(=O)N[C@H](c3ccc(Cl)cc3)[C@H]3C[N@@H+](C)CCO3)o2)cc1 ZINC001358071172 1068007668 /nfs/dbraw/zinc/00/76/68/1068007668.db2.gz BOESFMPXPRMVBF-RCZVLFRGSA-N 1 2 453.970 4.424 20 0 JIADLO C/C(=C\c1ccc(Br)o1)C(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1C[N@H+](C)CCO1 ZINC001358071819 1068009224 /nfs/dbraw/zinc/00/92/24/1068009224.db2.gz JUORWIFYLFZXNO-ASLVEYIASA-N 1 2 453.764 4.287 20 0 JIADLO C/C(=C\c1ccc(Br)o1)C(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC001358071819 1068009235 /nfs/dbraw/zinc/00/92/35/1068009235.db2.gz JUORWIFYLFZXNO-ASLVEYIASA-N 1 2 453.764 4.287 20 0 JIADLO CN(c1nc(C(=O)N[C@H](c2ccc(Cl)cc2)[C@H]2C[N@H+](C)CCO2)cs1)c1ccccc1 ZINC001358073758 1068011213 /nfs/dbraw/zinc/01/12/13/1068011213.db2.gz XXPSYJHPRWCYKU-NHCUHLMSSA-N 1 2 456.999 4.366 20 0 JIADLO CN(c1nc(C(=O)N[C@H](c2ccc(Cl)cc2)[C@H]2C[N@@H+](C)CCO2)cs1)c1ccccc1 ZINC001358073758 1068011228 /nfs/dbraw/zinc/01/12/28/1068011228.db2.gz XXPSYJHPRWCYKU-NHCUHLMSSA-N 1 2 456.999 4.366 20 0 JIADLO CCCOc1ccc(C(C)(C)C)cc1S(=O)(=O)Nc1ccccc1CN1CC[NH+](C)CC1 ZINC001200297824 1068014850 /nfs/dbraw/zinc/01/48/50/1068014850.db2.gz CDEQCMWRXJEMPT-UHFFFAOYSA-N 1 2 459.656 4.321 20 0 JIADLO O=C(NCc1cc[nH+]c(N2CCCC2)c1)Nc1cccc(CS(=O)(=O)C2CCCCC2)c1 ZINC001200304722 1068027230 /nfs/dbraw/zinc/02/72/30/1068027230.db2.gz OCAOXPBHNKWXAR-UHFFFAOYSA-N 1 2 456.612 4.251 20 0 JIADLO CCOC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)C[NH+]1CCC(C)(CO)CC1 ZINC001473360421 1068059874 /nfs/dbraw/zinc/05/98/74/1068059874.db2.gz OOOLIIOZIQWRLW-UHFFFAOYSA-N 1 2 450.988 4.278 20 0 JIADLO Cc1ccccc1CC(C)(C)NC(=O)C[N@H+](CCNC(=O)OC(C)(C)C)Cc1ccccc1 ZINC001358409858 1068084344 /nfs/dbraw/zinc/08/43/44/1068084344.db2.gz XKKVMEDGFBPHSW-UHFFFAOYSA-N 1 2 453.627 4.459 20 0 JIADLO Cc1ccccc1CC(C)(C)NC(=O)C[N@@H+](CCNC(=O)OC(C)(C)C)Cc1ccccc1 ZINC001358409858 1068084362 /nfs/dbraw/zinc/08/43/62/1068084362.db2.gz XKKVMEDGFBPHSW-UHFFFAOYSA-N 1 2 453.627 4.459 20 0 JIADLO COc1ccc(-c2cncc(C(=O)N(Cc3ccccc3)[C@H](C)C[NH+]3CCOCC3)c2)c(C)c1 ZINC001358433085 1068089973 /nfs/dbraw/zinc/08/99/73/1068089973.db2.gz HXTCXLGNXKRIIT-JOCHJYFZSA-N 1 2 459.590 4.429 20 0 JIADLO Cc1cc(NC(=O)C2CCN(C(=O)NCc3ccccc3-c3ccc(Cn4cc[nH+]c4)cc3)CC2)no1 ZINC000508403183 1068133379 /nfs/dbraw/zinc/13/33/79/1068133379.db2.gz PCUNTAROBPMYAD-UHFFFAOYSA-N 1 2 498.587 4.455 20 0 JIADLO COC[C@H](c1ccc(Cl)cc1)N(C)CC(=O)Nc1nc(C[NH+]2CCC(C)CC2)cs1 ZINC001473436774 1068169660 /nfs/dbraw/zinc/16/96/60/1068169660.db2.gz SJPQNBUVXFGVDE-HXUWFJFHSA-N 1 2 451.036 4.286 20 0 JIADLO CCN(Cc1cc(C)c(OCc2ccc(C)cc2)c(C)c1)C(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001353492179 1068207511 /nfs/dbraw/zinc/20/75/11/1068207511.db2.gz TZNYYJMBBHSFCU-SXOMAYOGSA-N 1 2 480.649 4.419 20 0 JIADLO O=C(NCc1ccccc1C[NH+]1CCOCC1)Nc1nnc(SCc2ccc(F)cc2)s1 ZINC000515107263 1068259870 /nfs/dbraw/zinc/25/98/70/1068259870.db2.gz KDHYDQJSCFEMRA-UHFFFAOYSA-N 1 2 473.599 4.123 20 0 JIADLO O=C(Nc1nncs1)N1CC[NH+](Cc2ccc(-c3ccc(Br)cc3)s2)CC1 ZINC000516474450 1068276302 /nfs/dbraw/zinc/27/63/02/1068276302.db2.gz TVCLDTSIRDOEEV-UHFFFAOYSA-N 1 2 464.414 4.379 20 0 JIADLO Cc1ccc(S[C@H](C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)c2ccccc2)c(C)c1 ZINC000518244924 1068304386 /nfs/dbraw/zinc/30/43/86/1068304386.db2.gz LKBQEGMEWYFPJK-DEOSSOPVSA-N 1 2 450.608 4.304 20 0 JIADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)c1cccc(Oc2cccc(C(F)(F)F)c2)c1 ZINC000520917081 1068329287 /nfs/dbraw/zinc/32/92/87/1068329287.db2.gz LTMAPYIRODJBKH-UHFFFAOYSA-N 1 2 460.456 4.279 20 0 JIADLO O=C(CCc1c2cc(F)ccc2[nH]c1-c1ccccc1)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000521316379 1068331866 /nfs/dbraw/zinc/33/18/66/1068331866.db2.gz KAQCTOZDKRCMTP-UHFFFAOYSA-N 1 2 461.541 4.074 20 0 JIADLO CCCOc1ccc(-c2nc(C(=O)NC[C@@H]3C[N@H+](Cc4ccccc4)CCO3)cs2)cc1 ZINC001353708750 1068492974 /nfs/dbraw/zinc/49/29/74/1068492974.db2.gz VMLYWNCATBZEDJ-JOCHJYFZSA-N 1 2 451.592 4.230 20 0 JIADLO CCCOc1ccc(-c2nc(C(=O)NC[C@@H]3C[N@@H+](Cc4ccccc4)CCO3)cs2)cc1 ZINC001353708750 1068492987 /nfs/dbraw/zinc/49/29/87/1068492987.db2.gz VMLYWNCATBZEDJ-JOCHJYFZSA-N 1 2 451.592 4.230 20 0 JIADLO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)NCCCNc2ccc(C(F)(F)F)cn2)C[C@@H](C)O1 ZINC000503438269 1068630033 /nfs/dbraw/zinc/63/00/33/1068630033.db2.gz SGZDWNXWOYGPOA-IAGOWNOFSA-N 1 2 465.520 4.333 20 0 JIADLO COc1cccc(CNC(=S)NC2CC[NH+](Cc3cc(Cl)ccc3F)CC2)c1OC ZINC001200528817 1068827700 /nfs/dbraw/zinc/82/77/00/1068827700.db2.gz UXJHIWOIYFLRBB-UHFFFAOYSA-N 1 2 451.995 4.125 20 0 JIADLO CC(C)Cn1cc([C@@H]2N(C(=O)[C@@H](c3ccccc3)[NH+]3CCSCC3)CC23CCOCC3)cn1 ZINC000849531339 1069134576 /nfs/dbraw/zinc/13/45/76/1069134576.db2.gz CENNDVAUCJNTSU-RPWUZVMVSA-N 1 2 468.667 4.009 20 0 JIADLO Cc1nc(O[C@@H](C)C(F)(F)F)ccc1C(=O)NC1CC[NH+](c2ccc(N(C)C)cc2)CC1 ZINC001354414282 1069199080 /nfs/dbraw/zinc/19/90/80/1069199080.db2.gz LKNCPFKHJJMRPU-INIZCTEOSA-N 1 2 450.505 4.184 20 0 JIADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)CCNC(=O)c1ccc(C(C)(C)C)cc1 ZINC001354463914 1069238755 /nfs/dbraw/zinc/23/87/55/1069238755.db2.gz BIRQQHMOFZHTFC-UHFFFAOYSA-N 1 2 450.627 4.264 20 0 JIADLO Fc1ccc(NC(=S)N2CCO[C@@H](c3[nH+]cn4c3cccc4Br)C2)cc1F ZINC001200685510 1069284415 /nfs/dbraw/zinc/28/44/15/1069284415.db2.gz BBTOQSQUZQJOTJ-OAHLLOKOSA-N 1 2 453.312 4.145 20 0 JIADLO COC(=O)c1cc(Cl)cc(NC(=O)N2CC[NH+](CCOc3ccc(Cl)cc3)CC2)c1 ZINC001200690299 1069292602 /nfs/dbraw/zinc/29/26/02/1069292602.db2.gz FQZCVSLODOFCLO-UHFFFAOYSA-N 1 2 452.338 4.009 20 0 JIADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ccc(NC(=O)C(C)(C)C)nn1)CC2 ZINC001164664130 719349815 /nfs/dbraw/zinc/34/98/15/719349815.db2.gz RYKGUHMOPRBUJJ-UHFFFAOYSA-N 1 2 473.625 4.156 20 0 JIADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ccc(NC(=O)C(C)(C)C)nn1)CC2 ZINC001164664130 719349818 /nfs/dbraw/zinc/34/98/18/719349818.db2.gz RYKGUHMOPRBUJJ-UHFFFAOYSA-N 1 2 473.625 4.156 20 0 JIADLO CCOC(=O)c1ncnc(Cl)c1N1CCC2(CC1)c1ncc(-c3ccccc3)n1CC[N@H+]2CC ZINC001164659946 719353477 /nfs/dbraw/zinc/35/34/77/719353477.db2.gz STJUEQNYEAWVNT-UHFFFAOYSA-N 1 2 481.000 4.001 20 0 JIADLO CCOC(=O)c1ncnc(Cl)c1N1CCC2(CC1)c1ncc(-c3ccccc3)n1CC[N@@H+]2CC ZINC001164659946 719353481 /nfs/dbraw/zinc/35/34/81/719353481.db2.gz STJUEQNYEAWVNT-UHFFFAOYSA-N 1 2 481.000 4.001 20 0 JIADLO CCOC(=O)c1sc2ncnc(N3CCC4(CC3)COCC[N@@H+]4Cc3ccc(F)cc3)c2c1C ZINC001164667381 719492941 /nfs/dbraw/zinc/49/29/41/719492941.db2.gz KXTXOCYZHZTNOF-UHFFFAOYSA-N 1 2 484.597 4.187 20 0 JIADLO CCOC(=O)c1sc2ncnc(N3CCC4(CC3)COCC[N@H+]4Cc3ccc(F)cc3)c2c1C ZINC001164667381 719492947 /nfs/dbraw/zinc/49/29/47/719492947.db2.gz KXTXOCYZHZTNOF-UHFFFAOYSA-N 1 2 484.597 4.187 20 0 JIADLO Fc1ccc(C[N@@H+]2CCOCC23CCN(c2nc(Cl)nc4c(Cl)nccc42)CC3)cc1 ZINC001164671707 719521529 /nfs/dbraw/zinc/52/15/29/719521529.db2.gz IFWRIVPKKCILOL-UHFFFAOYSA-N 1 2 462.356 4.342 20 0 JIADLO Fc1ccc(C[N@H+]2CCOCC23CCN(c2nc(Cl)nc4c(Cl)nccc42)CC3)cc1 ZINC001164671707 719521533 /nfs/dbraw/zinc/52/15/33/719521533.db2.gz IFWRIVPKKCILOL-UHFFFAOYSA-N 1 2 462.356 4.342 20 0 JIADLO O=C(NC1CCCC1)c1cnc(N2CCC3(CC2)COCC[N@H+]3Cc2ccc(F)cc2)c(Cl)c1 ZINC001164673929 719524379 /nfs/dbraw/zinc/52/43/79/719524379.db2.gz UDPPFFYYAGMNBX-UHFFFAOYSA-N 1 2 487.019 4.418 20 0 JIADLO O=C(NC1CCCC1)c1cnc(N2CCC3(CC2)COCC[N@@H+]3Cc2ccc(F)cc2)c(Cl)c1 ZINC001164673929 719524387 /nfs/dbraw/zinc/52/43/87/719524387.db2.gz UDPPFFYYAGMNBX-UHFFFAOYSA-N 1 2 487.019 4.418 20 0 JIADLO FC(F)(c1nc(Cl)c2cc(Cl)ccc2n1)N1CCc2onc(Cn3cc[nH+]c3)c2C1 ZINC001164677105 719562467 /nfs/dbraw/zinc/56/24/67/719562467.db2.gz IXMAFOQCDYWIEO-UHFFFAOYSA-N 1 2 451.264 4.277 20 0 JIADLO NC(=O)c1ccc(-c2c[nH+]c3n2CCC32CCN(C(F)(F)c3cccnc3Cl)CC2)cc1 ZINC001164696286 719829978 /nfs/dbraw/zinc/82/99/78/719829978.db2.gz HSCKQHSRDSMJDL-UHFFFAOYSA-N 1 2 457.912 4.184 20 0 JIADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nc(-c2ccccc2)cc(-c2ccccc2)n1 ZINC001164706570 719847720 /nfs/dbraw/zinc/84/77/20/719847720.db2.gz XREQMKMGCYGAOQ-QDPGVEIFSA-N 1 2 472.589 4.043 20 0 JIADLO FC(F)(Oc1ccccc1-c1cccc(Cl)n1)N1CCCn2nnc(Cn3cc[nH+]c3)c2C1 ZINC001164829151 720399832 /nfs/dbraw/zinc/39/98/32/720399832.db2.gz LUSUHJQDFSLZBN-UHFFFAOYSA-N 1 2 471.899 4.073 20 0 JIADLO CCOC(=O)c1sc2nc(C[NH+]3CCCCC3)nc(N3C[C@H]4CCC[C@]4(COC)C3)c2c1C ZINC001164848708 720791882 /nfs/dbraw/zinc/79/18/82/720791882.db2.gz QOBMPNIWXOWBBK-IQGLISFBSA-N 1 2 472.655 4.415 20 0 JIADLO FC(F)(c1nc2ccccc2nc1Cl)N1Cc2c[nH+]cn2C[C@@H](COc2cccnc2)C1 ZINC001164770620 721274299 /nfs/dbraw/zinc/27/42/99/721274299.db2.gz UVAYJZSTMBKUCC-OAHLLOKOSA-N 1 2 456.884 4.135 20 0 JIADLO c1ccc(C[N@@H+]2CCc3ncnc(N4CCO[C@]5(CCC[C@H]5COCc5ccncc5)C4)c3C2)cc1 ZINC001164781270 721383392 /nfs/dbraw/zinc/38/33/92/721383392.db2.gz ITOFMUPZZXPTNU-ABYGYWHVSA-N 1 2 485.632 4.022 20 0 JIADLO c1ccc(C[N@H+]2CCc3ncnc(N4CCO[C@]5(CCC[C@H]5COCc5ccncc5)C4)c3C2)cc1 ZINC001164781270 721383396 /nfs/dbraw/zinc/38/33/96/721383396.db2.gz ITOFMUPZZXPTNU-ABYGYWHVSA-N 1 2 485.632 4.022 20 0 JIADLO COc1ccc2c(c1)nc(N1CCO[C@]3(C1)COCC[N@H+](Cc1cccnc1)C3)cc2-c1ccccc1 ZINC001164913390 721794691 /nfs/dbraw/zinc/79/46/91/721794691.db2.gz CSKJDDZRMRVIMR-SSEXGKCCSA-N 1 2 496.611 4.413 20 0 JIADLO COc1ccc2c(c1)nc(N1CCO[C@]3(C1)COCC[N@@H+](Cc1cccnc1)C3)cc2-c1ccccc1 ZINC001164913390 721794694 /nfs/dbraw/zinc/79/46/94/721794694.db2.gz CSKJDDZRMRVIMR-SSEXGKCCSA-N 1 2 496.611 4.413 20 0 JIADLO FC(F)(c1cnc(Cl)c(-c2ccco2)c1)N1CCO[C@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164914318 721801365 /nfs/dbraw/zinc/80/13/65/721801365.db2.gz LQAMPJRBEWTZFZ-HSZRJFAPSA-N 1 2 490.938 4.043 20 0 JIADLO FC(F)(c1cnc(Cl)c(-c2ccco2)c1)N1CCO[C@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164914318 721801366 /nfs/dbraw/zinc/80/13/66/721801366.db2.gz LQAMPJRBEWTZFZ-HSZRJFAPSA-N 1 2 490.938 4.043 20 0 JIADLO Cc1cnc2n1CC[N@@H+](C)C21CCN(C(F)(F)c2cc(-c3ccc(F)cc3)nnc2Cl)CC1 ZINC001164919117 721822146 /nfs/dbraw/zinc/82/21/46/721822146.db2.gz MSKOSGWINLEXJS-UHFFFAOYSA-N 1 2 476.934 4.427 20 0 JIADLO Cc1cnc2n1CC[N@H+](C)C21CCN(C(F)(F)c2cc(-c3ccc(F)cc3)nnc2Cl)CC1 ZINC001164919117 721822148 /nfs/dbraw/zinc/82/21/48/721822148.db2.gz MSKOSGWINLEXJS-UHFFFAOYSA-N 1 2 476.934 4.427 20 0 JIADLO FC(F)(c1nc2cc(Cl)c(Cl)cc2nc1Cl)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC001165039227 721912301 /nfs/dbraw/zinc/91/23/01/721912301.db2.gz RQRJDQZNWMWIOI-LLVKDONJSA-N 1 2 451.732 4.436 20 0 JIADLO O=C(c1cccnc1N1CCC2(CC(OCC3CC3)C2)CC1)N1CC[NH+](Cc2ccccc2)CC1 ZINC001164973135 722172604 /nfs/dbraw/zinc/17/26/04/722172604.db2.gz ABHJXDVKBQUEDW-UHFFFAOYSA-N 1 2 474.649 4.215 20 0 JIADLO