smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CS(=O)(=O)N1CCc2nc([C@@H]3CCN(C(=O)C4CCC4)C3)[nH]c(=O)c2C1 ZINC000019572749 210267206 /nfs/dbraw/zinc/26/72/06/210267206.db2.gz VWIYZGCUMKTJFX-GFCCVEGCSA-N 0 0 380.470 0.204 40 0 GCABRN COc1ccc2c(c1)NC1(CCN(C(=O)c3cnccn3)CC1)NS2(=O)=O ZINC000019562718 210263829 /nfs/dbraw/zinc/26/38/29/210263829.db2.gz BZQGPCVUOOMCKF-UHFFFAOYSA-N 0 0 389.437 0.822 40 0 GCABRN CCN1C[C@H](C(=O)N2CCC(c3ncc4c(n3)CCN(C(C)=O)C4)CC2)CC1=O ZINC000019526874 210256687 /nfs/dbraw/zinc/25/66/87/210256687.db2.gz GFQUUEDYRSBZCX-MRXNPFEDSA-N 0 0 399.495 0.956 40 0 GCABRN CCN1C[C@H](C(=O)N2CC[C@H](c3ncc4c(n3)CCN(C(C)=O)C4)C2)CC1=O ZINC000019526862 210256803 /nfs/dbraw/zinc/25/68/03/210256803.db2.gz IHWZIDVXLFRRMK-LSDHHAIUSA-N 0 0 385.468 0.566 40 0 GCABRN CCN1C[C@H](C(=O)N2CCc3nc([C@@H]4CCCN4C(C)=O)ncc3C2)CC1=O ZINC000019526958 210255797 /nfs/dbraw/zinc/25/57/97/210255797.db2.gz WPWJYZMTMINMKN-PBHICJAKSA-N 0 0 385.468 0.913 40 0 GCABRN CN(C)S(=O)(=O)c1ccc(CNC(=O)C(=O)NCc2ccccc2)cc1 ZINC000020768877 230906811 /nfs/dbraw/zinc/90/68/11/230906811.db2.gz HMQDKUVKEVOTRS-UHFFFAOYSA-N 0 0 375.450 0.870 40 0 GCABRN COc1ccc(S(=O)(=O)N[C@H](C)C(=O)N2CCC(C(N)=O)CC2)cc1C ZINC000408587713 231068737 /nfs/dbraw/zinc/06/87/37/231068737.db2.gz BYTIEIMVDRLFLV-GFCCVEGCSA-N 0 0 383.470 0.394 40 0 GCABRN COCCNC(=O)CN(Cc1ccc(Br)cc1)S(C)(=O)=O ZINC000408619458 231082464 /nfs/dbraw/zinc/08/24/64/231082464.db2.gz HWPLFVMPCCYJPX-UHFFFAOYSA-N 0 0 379.276 0.973 40 0 GCABRN COc1ccc(Cl)cc1S(=O)(=O)N[C@@H](C)C(=O)N1CCN(C)CC1 ZINC000408620875 231082782 /nfs/dbraw/zinc/08/27/82/231082782.db2.gz KCAUMQPSZPWYSF-NSHDSACASA-N 0 0 375.878 0.789 40 0 GCABRN O=C(COc1ccc(/C=c2/sc3n(c2=O)CCN=3)cc1)NCc1ccco1 ZINC000408834259 231119332 /nfs/dbraw/zinc/11/93/32/231119332.db2.gz LHRSOBHWDFDMTB-MHWRWJLKSA-N 0 0 383.429 0.660 40 0 GCABRN O=c1cc(CNS(=O)(=O)c2ccc3c(c2)OCCO3)nc(N2CCCC2)[nH]1 ZINC000019346342 210244426 /nfs/dbraw/zinc/24/44/26/210244426.db2.gz RBVGGHAXNKQNQK-UHFFFAOYSA-N 0 0 392.437 0.620 40 0 GCABRN COc1ccc(S(=O)(=O)N[C@H](C)C(=O)N2CCC(C(N)=O)CC2)cc1OC ZINC000409393774 231200223 /nfs/dbraw/zinc/20/02/23/231200223.db2.gz XZOXLMVMRXYGHP-LLVKDONJSA-N 0 0 399.469 0.095 40 0 GCABRN Cc1ccc(-c2cc(N)c(=O)n(CC(=O)N3CCNC(=O)C3(C)C)n2)s1 ZINC000019217489 210231798 /nfs/dbraw/zinc/23/17/98/210231798.db2.gz PKPXLURJTFOGAU-UHFFFAOYSA-N 0 0 375.454 0.599 40 0 GCABRN CC(=O)N1CCC[C@@H](c2ncc3c(n2)CCN(C(=O)[C@@H]2CC(=O)N(C)C2)C3)C1 ZINC000019017049 210221527 /nfs/dbraw/zinc/22/15/27/210221527.db2.gz YGVIMQJHCQUJLV-HUUCEWRRSA-N 0 0 385.468 0.566 40 0 GCABRN CC(=O)Nc1ccc(S(=O)(=O)NNc2ccc(S(N)(=O)=O)cc2)cc1 ZINC000016321374 210189964 /nfs/dbraw/zinc/18/99/64/210189964.db2.gz CYJCRDHGXBEJHL-UHFFFAOYSA-N 0 0 384.439 0.598 40 0 GCABRN CCOC(=O)[C@H](CCSC)NS(=O)(=O)c1ccc2c(c1)NC(=O)CO2 ZINC000012187878 530132937 /nfs/dbraw/zinc/13/29/37/530132937.db2.gz RPUBGARDUAGAMD-NSHDSACASA-N 0 0 388.467 0.981 40 0 GCABRN CCCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(CNC(C)=O)cc1 ZINC000023994318 530263394 /nfs/dbraw/zinc/26/33/94/530263394.db2.gz VWWVRRAOSBGQAM-HNNXBMFYSA-N 0 0 388.511 0.911 40 0 GCABRN COCCNS(=O)(=O)c1ccc(OCC(=O)N2CCOCC2)c(Cl)c1 ZINC000004998511 530313777 /nfs/dbraw/zinc/31/37/77/530313777.db2.gz RJJONIPAQMKARU-UHFFFAOYSA-N 0 0 392.861 0.502 40 0 GCABRN Cn1c(Br)nc2c1c(=O)n(C[C@@H](O)c1ccccc1)c(=O)n2C ZINC000004945666 530313954 /nfs/dbraw/zinc/31/39/54/530313954.db2.gz CCSABJWKUBKTGH-SNVBAGLBSA-N 0 0 379.214 0.930 40 0 GCABRN Cc1nc2ccccc2c(=O)n1NC1=c2cc(Br)ccc2=NC1=O ZINC000006494174 530338389 /nfs/dbraw/zinc/33/83/89/530338389.db2.gz GNKIXHDITIVMPK-UHFFFAOYSA-N 0 0 383.205 0.979 40 0 GCABRN CCn1nnnc1NCc1cc(Br)c(OCC(N)=O)c(OC)c1 ZINC000008339876 530343090 /nfs/dbraw/zinc/34/30/90/530343090.db2.gz PRLMYMATUAGOQL-UHFFFAOYSA-N 0 0 385.222 0.940 40 0 GCABRN C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)NCCCN1CCOCC1 ZINC000058046749 530378429 /nfs/dbraw/zinc/37/84/29/530378429.db2.gz NZNWTZYNFULIEH-ZDUSSCGKSA-N 0 0 389.905 0.845 40 0 GCABRN COCCOC[C@]1(CNS(=O)(=O)c2ccc(Cl)cc2)C[C@@H](O)[C@@H](O)C1 ZINC000107430676 530417980 /nfs/dbraw/zinc/41/79/80/530417980.db2.gz CXBUVDOBGIGXGG-MUJYYYPQSA-N 0 0 393.889 0.783 40 0 biogenic,in-vitro GCABRN Cc1nc(SCCNC(=O)CN(C)S(=O)(=O)c2ccc(F)cc2)n[nH]1 ZINC000226036432 530508567 /nfs/dbraw/zinc/50/85/67/530508567.db2.gz CDABDDRGSTXUJT-UHFFFAOYSA-N 0 0 387.462 0.781 40 0 GCABRN CCOC(=O)N[C@@H]1CS(=O)(=O)C[C@@H]1NS(=O)(=O)c1ccc(CC)cc1 ZINC000575420754 530687766 /nfs/dbraw/zinc/68/77/66/530687766.db2.gz KGUMGWILDTYOFA-KGLIPLIRSA-N 0 0 390.483 0.439 40 0 GCABRN O=S1(=O)C[C@@H]2N[C@@H]3CS(=O)(=O)C[C@H]3N(Cc3ccccc3Cl)[C@@H]2C1 ZINC000575421532 530687819 /nfs/dbraw/zinc/68/78/19/530687819.db2.gz IYSTZUSYCFDMRV-LXTVHRRPSA-N 0 0 390.914 0.076 40 0 GCABRN O=S(=O)(c1ccccc1)N(c1cccc(O)c1)[C@@H]1CS(=O)(=O)C[C@H]1O ZINC000575423753 530688465 /nfs/dbraw/zinc/68/84/65/530688465.db2.gz QCHTYNOVFKFDHI-HZPDHXFCSA-N 0 0 383.447 0.745 40 0 GCABRN Cc1cc(C)c(S(=O)(=O)N([C@H]2CS(=O)(=O)C[C@H]2O)N(C)C)cc1C ZINC000575422024 530688782 /nfs/dbraw/zinc/68/87/82/530688782.db2.gz LTJPJKXMZORMJI-UONOGXRCSA-N 0 0 376.500 0.237 40 0 GCABRN O=S1(=O)C[C@@H]2N[C@@H]3CS(=O)(=O)C[C@H]3N(Cc3cccc(Cl)c3)[C@@H]2C1 ZINC000575423129 530688838 /nfs/dbraw/zinc/68/88/38/530688838.db2.gz OKKXYBLYIOKFOT-LXTVHRRPSA-N 0 0 390.914 0.076 40 0 GCABRN CN(C)N([C@H]1CS(=O)(=O)C[C@H]1O)S(=O)(=O)c1ccc2ccccc2c1 ZINC000575425569 530688999 /nfs/dbraw/zinc/68/89/99/530688999.db2.gz ZYYCHSRPZONJLK-JKSUJKDBSA-N 0 0 384.479 0.465 40 0 GCABRN COc1ccc(S(=O)(=O)N(C)[C@]2(C)CCS(=O)(=O)C2)cc1NC(C)=O ZINC000575426765 530689949 /nfs/dbraw/zinc/68/99/49/530689949.db2.gz ZKXLDDMHQNVAHX-OAHLLOKOSA-N 0 0 390.483 0.851 40 0 GCABRN O=C(CCn1cncn1)N1CCC([C@@H]2Nc3ccccc3S(=O)(=O)N2)CC1 ZINC000013267371 210055702 /nfs/dbraw/zinc/05/57/02/210055702.db2.gz CDMYXCJGUMZAFV-QGZVFWFLSA-N 0 0 390.469 0.637 40 0 GCABRN Cc1nc2c(c(C(N)=O)n1)n(CC(N)=O)c(=O)n2-c1ccccc1C(F)(F)F ZINC000013228008 210054712 /nfs/dbraw/zinc/05/47/12/210054712.db2.gz CAKMLEBYXVTMPT-UHFFFAOYSA-N 0 0 394.313 0.494 40 0 GCABRN C[C@@H](Cn1nnn(-c2ccccc2)c1=O)NC(=O)CN1Cc2ccccc2C1=O ZINC000012145879 209914308 /nfs/dbraw/zinc/91/43/08/209914308.db2.gz CQNISPZXGQXGGG-AWEZNQCLSA-N 0 0 392.419 0.590 40 0 GCABRN CC(=O)N[C@H]1[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H](CO)O[C@@H]1OCc1ccccc1 ZINC000004303680 209476871 /nfs/dbraw/zinc/47/68/71/209476871.db2.gz RHHNTCYTVQANIZ-QTMHVTGLSA-N 0 0 395.408 0.289 40 0 GCABRN CCOC(=O)[C@H]1CC(=O)N(c2ccc(N3CCN(S(C)(=O)=O)CC3)cc2)C1 ZINC000045958019 209196060 /nfs/dbraw/zinc/19/60/60/209196060.db2.gz RLHHHHBCRKIQIK-AWEZNQCLSA-N 0 0 395.481 0.684 40 0 GCABRN O=C(OC[C@@H](O)[C@@H](O)[C@@H](O)[C@H](O)COC(=O)c1ccccc1)c1ccccc1 ZINC000004403199 209189109 /nfs/dbraw/zinc/18/91/09/209189109.db2.gz LDFVROHMRYBVGB-TVFCKZIOSA-N 0 0 390.388 0.144 40 0 GCABRN Cc1cnc(CNC(=O)Cc2cn3c(n2)[C@H](C)N(S(C)(=O)=O)CC3)cn1 ZINC000306142713 212054333 /nfs/dbraw/zinc/05/43/33/212054333.db2.gz XGZUMANPSFDSOO-LBPRGKRZSA-N 0 0 378.458 0.177 40 0 GCABRN CN(C)c1ncc2c(n1)C1(CCN(C(=O)C3CC3)CC1)CN(C)S2(=O)=O ZINC000306132370 212049453 /nfs/dbraw/zinc/04/94/53/212049453.db2.gz LGUTZTBJRNNAKF-UHFFFAOYSA-N 0 0 379.486 0.447 40 0 GCABRN CC(=O)OC1[C@@H](OC(C)=O)C(=O)N(c2ccccc2F)C(=O)[C@H]1OC(C)=O ZINC000028539539 209179410 /nfs/dbraw/zinc/17/94/10/209179410.db2.gz MOIDFPMKXOENDU-GOOCMWNKSA-N 0 0 381.312 0.494 40 0 GCABRN C[C@@H]1CN(c2ncc3c(n2)[C@]2(CCN(C(=O)c4nc[nH]n4)C2)COC3)C[C@H](C)O1 ZINC000306123670 212044204 /nfs/dbraw/zinc/04/42/04/212044204.db2.gz ATMTXXKINRXRRW-QUJCMNEKSA-N 0 0 399.455 0.522 40 0 GCABRN COc1cccc(CNC(=O)c2cn3c(nc2=O)C[C@]2(CCN(C(C)=O)C2)C3)c1 ZINC000306126672 212045806 /nfs/dbraw/zinc/04/58/06/212045806.db2.gz FBRJWGFGYIBLTJ-NRFANRHFSA-N 0 0 396.447 0.977 40 0 GCABRN NC(=O)[C@@H]1CN(C(=O)CCN2C(=O)CCCC2=O)CCN1Cc1ccccc1 ZINC000257343815 212027816 /nfs/dbraw/zinc/02/78/16/212027816.db2.gz ZUNIMGMRDXOYBM-INIZCTEOSA-N 0 0 386.452 0.114 40 0 GCABRN COCC(=O)NC[C@]1(O)COCCN(C(=O)c2cc3ccc(F)cc3[nH]2)C1 ZINC000257317713 212024503 /nfs/dbraw/zinc/02/45/03/212024503.db2.gz VKWCUNPRNMWAGD-GOSISDBHSA-N 0 0 379.388 0.273 40 0 GCABRN Nc1ncnc2c1ncn2[C@@H]1CC[C@@H](NC(=O)OCc2ccccc2)[C@H](O)[C@H]1O ZINC000257296398 212020187 /nfs/dbraw/zinc/02/01/87/212020187.db2.gz RCPULPCYHRYNSB-VDERGJSUSA-N 0 0 398.423 0.760 40 0 GCABRN CCS[C@@H]1O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O ZINC000004802840 204077506 /nfs/dbraw/zinc/07/75/06/204077506.db2.gz YPNFVZQPWZMHIF-GCSSGZNBSA-N 0 0 392.426 0.823 40 0 GCABRN C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)[O-] ZINC000004899619 204088775 /nfs/dbraw/zinc/08/87/75/204088775.db2.gz IAJCBRQYWHEYSN-AAEUAGOBSA-N 0 0 379.417 0.134 40 0 GCABRN CC(=O)Nc1ncnc2c1ncn2[C@@H]1C[C@@H](OC(C)=O)[C@H](COC(C)=O)O1 ZINC000004916571 204091391 /nfs/dbraw/zinc/09/13/91/204091391.db2.gz CBOSURABYCYSHO-AGIUHOORSA-N 0 0 377.357 0.567 40 0 GCABRN CC(=O)CN1N=C(C(C)(C)C)Cn2c1nc1c2c(=O)n(CC(C)=O)c(=O)n1C ZINC000005148203 204114831 /nfs/dbraw/zinc/11/48/31/204114831.db2.gz BRWXTLGSHJCNFZ-UHFFFAOYSA-N 0 0 388.428 0.297 40 0 GCABRN Cc1nc2ccccc2n1CCC(=O)N[C@@H]1CCC[C@@H](N2CCNC(=O)C2)[C@@H]1O ZINC000257291739 212018069 /nfs/dbraw/zinc/01/80/69/212018069.db2.gz QIKLBSAJDCVGPV-HGHGUNKESA-N 0 0 399.495 0.565 40 0 GCABRN COC(=O)C(=O)c1c(C(=O)OC)nc2nnc(N)n2c1-c1ccc(OC)cc1 ZINC000008655744 204283773 /nfs/dbraw/zinc/28/37/73/204283773.db2.gz IRUCWQFAVGQUNB-UHFFFAOYSA-N 0 0 385.336 0.524 40 0 GCABRN CCc1cc2cc3c(cc2n2c(=O)n(CC(=O)N4CCOCC4)nc12)OCO3 ZINC000012181226 204378194 /nfs/dbraw/zinc/37/81/94/204378194.db2.gz MQLPJUUTJTUNBS-UHFFFAOYSA-N 0 0 384.392 0.799 40 0 GCABRN O=C(CN1c2ccccc2S(=O)(=O)N2CCCC[C@@H]2C1=O)N1CCOCC1 ZINC000012113143 204372743 /nfs/dbraw/zinc/37/27/43/204372743.db2.gz MJGZXEWQWSRSBS-OAHLLOKOSA-N 0 0 393.465 0.435 40 0 GCABRN COc1ccc(NC(=O)[C@@H]2C[C@@H](c3cn(C)nc3C)NS(=O)(=O)N2C)cc1 ZINC000012131360 204374206 /nfs/dbraw/zinc/37/42/06/204374206.db2.gz YKUKRFDVQPRONU-HOTGVXAUSA-N 0 0 393.469 0.955 40 0 GCABRN Cc1c([C@@H]2C[C@@H](C(=O)NCCc3ccccc3)N(C)S(=O)(=O)N2)cnn1C ZINC000012131046 204374233 /nfs/dbraw/zinc/37/42/33/204374233.db2.gz PFQOIUFLEYRMNC-IRXDYDNUSA-N 0 0 391.497 0.667 40 0 GCABRN Cc1c([C@@H]2C[C@H](C(=O)NCCc3ccccc3)N(C)S(=O)(=O)N2)cnn1C ZINC000012131042 204374590 /nfs/dbraw/zinc/37/45/90/204374590.db2.gz PFQOIUFLEYRMNC-DLBZAZTESA-N 0 0 391.497 0.667 40 0 GCABRN Cc1cc(N2CCOCC2)nc(C2CCN(C(=O)CN3CCCC3=O)CC2)n1 ZINC000012142950 204375722 /nfs/dbraw/zinc/37/57/22/204375722.db2.gz IQIWVXDSBQYOMP-UHFFFAOYSA-N 0 0 387.484 0.950 40 0 GCABRN CCn1ncc(S(=O)(=O)N2CCC(C(N)=O)(N3CCCCC3)CC2)c1C ZINC000012239086 204386544 /nfs/dbraw/zinc/38/65/44/204386544.db2.gz VGYWMWPBFJPKSA-UHFFFAOYSA-N 0 0 383.518 0.706 40 0 GCABRN CC(=O)N1CCN([C@H]2CCN(C(=O)c3n[nH]c4ccccc43)CC[C@@H]2O)CC1 ZINC000257275307 212015430 /nfs/dbraw/zinc/01/54/30/212015430.db2.gz NOVDDMGCFBMSHQ-ROUUACIJSA-N 0 0 385.468 0.693 40 0 GCABRN COCC(=O)NC[C@]1(O)COCCN(C(=O)c2cc3c(cccc3OC)[nH]2)C1 ZINC000257235050 212009177 /nfs/dbraw/zinc/00/91/77/212009177.db2.gz GWFCMDHVUDJNFU-LJQANCHMSA-N 0 0 391.424 0.143 40 0 GCABRN Nc1cc(-c2cncnc2[C@@H]2CN(C(=O)CN3CCOCC3)CCO2)ccn1 ZINC000257222214 212005837 /nfs/dbraw/zinc/00/58/37/212005837.db2.gz DSKPBKGSNJKXGA-INIZCTEOSA-N 0 0 384.440 0.353 40 0 GCABRN O=C(c1cc2cccc(F)c2[nH]1)N1CC[C@@H](O)[C@@H](O)[C@H](N2CCOCC2)C1 ZINC000257210267 212003891 /nfs/dbraw/zinc/00/38/91/212003891.db2.gz BTWRFYMNQDUMIX-NUJGCVRESA-N 0 0 377.416 0.576 40 0 GCABRN Cc1cc(OCC(=O)N(C)[C@@H]2CC[C@@H](N3CCNC(=O)C3)[C@@H]2O)ccc1Cl ZINC000257208241 212002745 /nfs/dbraw/zinc/00/27/45/212002745.db2.gz BLHKTBNPPVRXMD-GPMSIDNRSA-N 0 0 395.887 0.809 40 0 GCABRN Cc1cc(C(=O)N2CC3(C2)[C@H](COc2ncccn2)CCS3(=O)=O)on1 ZINC000253600059 211993068 /nfs/dbraw/zinc/99/30/68/211993068.db2.gz DGSPFBLOXVMDCS-LBPRGKRZSA-N 0 0 378.410 0.481 40 0 GCABRN CC(=O)NCCn1nc([C@@H]2CCN(C(=O)[C@H]3CCCCO3)C2)c2nccnc21 ZINC000019021477 204623953 /nfs/dbraw/zinc/62/39/53/204623953.db2.gz WSFOABCOXYJNCT-HUUCEWRRSA-N 0 0 386.456 0.847 40 0 GCABRN CCS(=O)(=O)N1C[C@H](C(=O)N(C)C)[C@@H](c2ccnc(N3CCCCC3)n2)C1 ZINC000019520478 204648930 /nfs/dbraw/zinc/64/89/30/204648930.db2.gz GTVSGCOARAEUOP-GJZGRUSLSA-N 0 0 395.529 0.920 40 0 GCABRN Cn1cc(C(=O)N2CC3(C2)[C@H](COc2ccccn2)CCS3(=O)=O)cn1 ZINC000248153508 211982029 /nfs/dbraw/zinc/98/20/29/211982029.db2.gz VALDAEXGIRKBBT-AWEZNQCLSA-N 0 0 376.438 0.523 40 0 GCABRN NC(=O)c1cncnc1CC1CCN(C(=O)COC[C@@H]2CCCCO2)CC1 ZINC000019757055 204681517 /nfs/dbraw/zinc/68/15/17/204681517.db2.gz JBVZMPGRTWPTQB-HNNXBMFYSA-N 0 0 376.457 0.942 40 0 GCABRN CCN(CC)C(=O)C(=O)NCCc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000022228514 204775563 /nfs/dbraw/zinc/77/55/63/204775563.db2.gz VSHICYAAALIINW-UHFFFAOYSA-N 0 0 397.497 0.235 40 0 GCABRN CS(=O)(=O)N[C@@H](CC(=O)NCCSc1nc[nH]n1)c1ccc(F)cc1 ZINC000225943246 211935811 /nfs/dbraw/zinc/93/58/11/211935811.db2.gz LGWAZTYBWDGTMF-LBPRGKRZSA-N 0 0 387.462 0.833 40 0 GCABRN Cc1nc(N(C)S(C)(=O)=O)sc1C(=O)NCCSc1nc[nH]n1 ZINC000225879424 211933112 /nfs/dbraw/zinc/93/31/12/211933112.db2.gz YIFRVCPGGXLFNM-UHFFFAOYSA-N 0 0 376.489 0.488 40 0 GCABRN CC(C)[C@H](CO)Nc1nc(NCCN2CCOCC2)cc(C(F)(F)F)n1 ZINC000328969480 209154710 /nfs/dbraw/zinc/15/47/10/209154710.db2.gz DEOATNMPXMNNIG-LBPRGKRZSA-N 0 0 377.411 0.512 40 0 GCABRN COc1ccc(-c2c3c(ccn(N4CCN(C)CC4)c3=O)nc3ncnn32)cc1 ZINC000038828752 205039483 /nfs/dbraw/zinc/03/94/83/205039483.db2.gz SHLWBJRNWLJLOR-UHFFFAOYSA-N 0 0 391.435 0.998 40 0 GCABRN CCOC(=O)N1CCN(C(=O)[C@@H]2CN(S(C)(=O)=O)c3ccccc3O2)CC1 ZINC000038836420 205040419 /nfs/dbraw/zinc/04/04/19/205040419.db2.gz MQIRWHNBBCGCKI-HNNXBMFYSA-N 0 0 397.453 0.514 40 0 GCABRN CCNC(=O)Nc1ccc([C@H]2OCC(=O)N(CC(=O)N(C)C)[C@@H]2CO)cc1 ZINC000072321287 205030807 /nfs/dbraw/zinc/03/08/07/205030807.db2.gz UOKGTTMUJNFTBO-RHSMWYFYSA-N 0 0 378.429 0.177 40 0 biogenic,in-vitro GCABRN COc1cccc(NC(=O)[C@H]2CC(=O)Nc3nc(N4CCOCC4)[nH]c(=O)c32)c1 ZINC000038828120 205038296 /nfs/dbraw/zinc/03/82/96/205038296.db2.gz JTDYRMKSJMIODX-ZDUSSCGKSA-N 0 0 399.407 0.680 40 0 GCABRN COc1ccccc1NC(=O)[C@@H]1CC(=O)Nc2nc(N3CCOCC3)[nH]c(=O)c21 ZINC000038828129 205038529 /nfs/dbraw/zinc/03/85/29/205038529.db2.gz JLPDNDVHOCXYGV-LLVKDONJSA-N 0 0 399.407 0.680 40 0 GCABRN COc1ccccc1NC(=O)[C@H]1CC(=O)Nc2nc(N3CCOCC3)[nH]c(=O)c21 ZINC000038828130 205038561 /nfs/dbraw/zinc/03/85/61/205038561.db2.gz JLPDNDVHOCXYGV-NSHDSACASA-N 0 0 399.407 0.680 40 0 GCABRN COC(=O)C1CCN(C(=O)[C@H]2CN(S(C)(=O)=O)c3ccccc3O2)CC1 ZINC000038772893 205038998 /nfs/dbraw/zinc/03/89/98/205038998.db2.gz GROXGNIBJWGICL-OAHLLOKOSA-N 0 0 382.438 0.625 40 0 GCABRN COC(=O)C1CCN(C(=O)[C@@H]2CN(S(C)(=O)=O)c3ccccc3O2)CC1 ZINC000038772891 205039009 /nfs/dbraw/zinc/03/90/09/205039009.db2.gz GROXGNIBJWGICL-HNNXBMFYSA-N 0 0 382.438 0.625 40 0 GCABRN C[C@]12N=c3s/c(=C\c4ccco4)c(=O)n3[C@H](c3ccccc3O1)[C@H]2C(N)=O ZINC000071785115 205296430 /nfs/dbraw/zinc/29/64/30/205296430.db2.gz BWUUVSVHEFXEOT-BEJHVWDPSA-N 0 0 381.413 0.764 40 0 GCABRN Cc1nn(C)cc1[C@H]1C[C@@H](C(=O)NCc2ccc(F)cc2)N(C)S(=O)(=O)N1 ZINC000072335160 205328073 /nfs/dbraw/zinc/32/80/73/205328073.db2.gz JDKVDNFYOFYKKM-CVEARBPZSA-N 0 0 395.460 0.764 40 0 GCABRN Cc1nn(C)cc1[C@H]1C[C@@H](C(=O)Nc2cccc(O)c2)N(C)S(=O)(=O)N1 ZINC000072335112 205328334 /nfs/dbraw/zinc/32/83/34/205328334.db2.gz WVZPWIGGXDHXIR-CABCVRRESA-N 0 0 379.442 0.652 40 0 GCABRN Cc1ncc(C(=O)NCc2ccccc2)c(CCNC(=O)[C@@H]2CCC(=O)N2)n1 ZINC000072352083 205332668 /nfs/dbraw/zinc/33/26/68/205332668.db2.gz NFUASSHLMKOEKU-KRWDZBQOSA-N 0 0 381.436 0.652 40 0 GCABRN Cc1ccc(C(=O)NC[C@H]2O[C@@H](CC(=O)NCc3cccnc3)[C@H](O)[C@@H]2O)cc1 ZINC000008627189 205794018 /nfs/dbraw/zinc/79/40/18/205794018.db2.gz DQNUPDLVRUQERE-KVPLUYHFSA-N 0 0 399.447 0.316 40 0 biogenic,in-vitro GCABRN CC[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)N1CCC(C(N)=O)CC1 ZINC000224980165 206033088 /nfs/dbraw/zinc/03/30/88/206033088.db2.gz BIADAUISCHCQIS-MRXNPFEDSA-N 0 0 397.497 0.964 40 0 GCABRN NC(=O)c1ccc(CNS(=O)(=O)c2ccc(N3C(=O)CCC3=O)cc2)cc1 ZINC000225088542 206036231 /nfs/dbraw/zinc/03/62/31/206036231.db2.gz ZGQUAAXDJOAHTA-UHFFFAOYSA-N 0 0 387.417 0.917 40 0 GCABRN Cc1cc(C(=O)N[C@@H]2CCC[C@@H](C(=O)NC3CC3)CC(=O)N(C)C2)nn1C ZINC000096113253 206117787 /nfs/dbraw/zinc/11/77/87/206117787.db2.gz UYRYDNOQBBBILM-UKRRQHHQSA-N 0 0 375.473 0.754 40 0 biogenic,in-vitro GCABRN CS(=O)(=O)NC[C@H]1CN(C(=O)CCOc2ccccc2)Cc2cncn21 ZINC000247559706 206132374 /nfs/dbraw/zinc/13/23/74/206132374.db2.gz YIBYQKFAGQWQPH-HNNXBMFYSA-N 0 0 378.454 0.785 40 0 GCABRN CS(=O)(=O)NC[C@@H]1CN(C(=O)c2ccc3c(c2)OCO3)Cc2ccnn21 ZINC000247493903 206134291 /nfs/dbraw/zinc/13/42/91/206134291.db2.gz CLSCXRGSASTXTN-CYBMUJFWSA-N 0 0 378.410 0.358 40 0 GCABRN COc1ncccc1C(=O)N1Cc2ccnn2C[C@H](CNS(C)(=O)=O)C1 ZINC000247887507 206135724 /nfs/dbraw/zinc/13/57/24/206135724.db2.gz SBAYHAWNDRZLHQ-GFCCVEGCSA-N 0 0 379.442 0.108 40 0 GCABRN Cc1c2cc(F)ccc2[nH]c1C(=O)N1CC[C@@H](O)[C@@H](O)[C@H](N2CCOCC2)C1 ZINC000257209158 206158633 /nfs/dbraw/zinc/15/86/33/206158633.db2.gz BPGANBAXARCDDV-LMMKCTJWSA-N 0 0 391.443 0.884 40 0 GCABRN CNC(=O)[C@@H]1CN(C(=O)CCn2c3cc(C)ccc3oc2=O)CCN1C(C)=O ZINC000257206548 206158753 /nfs/dbraw/zinc/15/87/53/206158753.db2.gz BDXWXHXXBOGRPL-HNNXBMFYSA-N 0 0 388.424 0.098 40 0 GCABRN COc1cc(Br)cc2c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1[C@@H]2OC ZINC000257212322 206159429 /nfs/dbraw/zinc/15/94/29/206159429.db2.gz CCVFFOLNCVJEPH-HTKHVQBFSA-N 0 0 391.214 0.593 40 0 GCABRN Cc1cc(C(=O)N2CC3(C2)[C@H](COc2ncccn2)CCS3(=O)=O)no1 ZINC000253476754 206147590 /nfs/dbraw/zinc/14/75/90/206147590.db2.gz BETBKSWGKALOAF-LBPRGKRZSA-N 0 0 378.410 0.481 40 0 GCABRN Cc1nc2cc(C(=O)N[C@@H]3CCC[C@@H](N4CCNC(=O)C4)[C@@H]3O)ccc2n1C ZINC000257283088 206171160 /nfs/dbraw/zinc/17/11/60/206171160.db2.gz OWSNXSHTKRMQON-LSBZLQRGSA-N 0 0 385.468 0.325 40 0 GCABRN O=C(N[C@@H]1C[C@@H](Oc2cccnc2)[C@H](O)[C@H]1N1CCOCC1)c1cccnc1 ZINC000257290314 206173327 /nfs/dbraw/zinc/17/33/27/206173327.db2.gz QCJIKDSGGFXWEJ-YRXWBPOGSA-N 0 0 384.436 0.488 40 0 GCABRN CNC(=O)[C@H]1CN(C(=O)Cn2c3ccccc3nc2C(F)(F)F)CCN1C ZINC000257224657 206162507 /nfs/dbraw/zinc/16/25/07/206162507.db2.gz FCTOSRNNLHYEKD-CYBMUJFWSA-N 0 0 383.374 0.944 40 0 GCABRN CNC(=O)[C@@H]1CN(C(=O)Cn2c3ccccc3nc2C(F)(F)F)CCN1C ZINC000257224658 206162535 /nfs/dbraw/zinc/16/25/35/206162535.db2.gz FCTOSRNNLHYEKD-ZDUSSCGKSA-N 0 0 383.374 0.944 40 0 GCABRN Cc1ccccc1OCCNC(=O)[C@@H]1CN(C(=O)c2cncnc2N)CCN1C ZINC000257233874 206164751 /nfs/dbraw/zinc/16/47/51/206164751.db2.gz GRDIMPYRAAIXLJ-INIZCTEOSA-N 0 0 398.467 0.319 40 0 GCABRN CNC(=O)[C@H]1CN(C(=O)Cn2nc(C)nc2C)CCN1CCc1ccccc1 ZINC000257249508 206165559 /nfs/dbraw/zinc/16/55/59/206165559.db2.gz JIRSLUJOFQIVPQ-GOSISDBHSA-N 0 0 384.484 0.396 40 0 GCABRN Cn1c(COCC(=O)N[C@@H]2CC[C@@H](N3CCOCC3)[C@@H]2O)nc2ccccc21 ZINC000257259187 206168146 /nfs/dbraw/zinc/16/81/46/206168146.db2.gz KXFSQGZLXPKAPS-WRWLIDTKSA-N 0 0 388.468 0.430 40 0 GCABRN CO[C@@]1(COc2ccccc2)CCCN(C(=O)c2cc(=O)n(C)c(=O)n2C)C1 ZINC000257267662 206169332 /nfs/dbraw/zinc/16/93/32/206169332.db2.gz MIGROMMGURZOSK-FQEVSTJZSA-N 0 0 387.436 0.784 40 0 GCABRN CO[C@]1(COc2ccccc2)CCCN(C(=O)c2cc(=O)n(C)c(=O)n2C)C1 ZINC000257267663 206170358 /nfs/dbraw/zinc/17/03/58/206170358.db2.gz MIGROMMGURZOSK-HXUWFJFHSA-N 0 0 387.436 0.784 40 0 GCABRN COc1ccc(C(=O)N2CCN(C(C)C)[C@@H](C(N)=O)C2)cc1Cn1cccn1 ZINC000257279437 206171035 /nfs/dbraw/zinc/17/10/35/206171035.db2.gz OGQNKUHLJZWTPZ-QGZVFWFLSA-N 0 0 385.468 0.960 40 0 GCABRN CNC(=O)c1cnn2c1nccc2[C@H]1CCCCN1C(=O)CN1CCOCC1 ZINC000257315436 206178768 /nfs/dbraw/zinc/17/87/68/206178768.db2.gz VBJBJBGFLDYENH-OAHLLOKOSA-N 0 0 386.456 0.475 40 0 GCABRN Cc1ccnc(OC[C@H]2CCS(=O)(=O)C23CN(C(=O)c2cc[nH]n2)C3)n1 ZINC000306137985 206205235 /nfs/dbraw/zinc/20/52/35/206205235.db2.gz RLTGFOXFNXGAHX-GFCCVEGCSA-N 0 0 377.426 0.216 40 0 GCABRN Cc1ccnc(OC[C@@H]2CCS(=O)(=O)C23CN(C(=O)[C@@H]2CCOC2)C3)n1 ZINC000306144686 206206676 /nfs/dbraw/zinc/20/66/76/206206676.db2.gz ZMCGTTLAIMYCHR-KGLIPLIRSA-N 0 0 381.454 0.216 40 0 GCABRN Cc1cnc(CNC(=O)Cc2cn3c(n2)[C@@H](C)N(S(C)(=O)=O)CC3)cn1 ZINC000306142712 206206840 /nfs/dbraw/zinc/20/68/40/206206840.db2.gz XGZUMANPSFDSOO-GFCCVEGCSA-N 0 0 378.458 0.177 40 0 GCABRN Cc1ccnc(OC[C@@H]2CCS(=O)(=O)C23CN(C(=O)[C@H]2CCOC2)C3)n1 ZINC000306144685 206206882 /nfs/dbraw/zinc/20/68/82/206206882.db2.gz ZMCGTTLAIMYCHR-KBPBESRZSA-N 0 0 381.454 0.216 40 0 GCABRN O=C(C1CC1)N1CC[C@]2(C1)Cn1c(=O)c(=O)n(CC3CCCCC3)nc1CO2 ZINC000306129562 206199468 /nfs/dbraw/zinc/19/94/68/206199468.db2.gz IGYARLQMMNUWRY-FQEVSTJZSA-N 0 0 388.468 0.897 40 0 GCABRN Cn1nccc1C(=O)N1CC[C@]2(C1)CCn1ncnc1[C@@H]2NC(=O)C1CCC1 ZINC000306137358 206202617 /nfs/dbraw/zinc/20/26/17/206202617.db2.gz QUDMGHBFOAAHMO-HNAYVOBHSA-N 0 0 383.456 0.905 40 0 GCABRN CC(=O)COc1ccccc1-n1c(C)cn2c1nc1c2c(=O)n(C)c(=O)n1C ZINC000005252155 211562076 /nfs/dbraw/zinc/56/20/76/211562076.db2.gz IPYKFQICNODJJZ-UHFFFAOYSA-N 0 0 381.392 0.952 40 0 GCABRN C[C@@H]1[C@@H](C)CCC[C@@H]1NC(=O)CSc1nc2c([nH]1)n(C)c(=O)n(C)c2=O ZINC000100986166 211394713 /nfs/dbraw/zinc/39/47/13/211394713.db2.gz DWUBVTFHAOGKPT-AXFHLTTASA-N 0 0 379.486 0.993 40 0 GCABRN Cn1nc(C(=O)N2CCN(Cc3ccccc3)CC2)c2c1CCS(=O)(=O)C2 ZINC000041070549 211391714 /nfs/dbraw/zinc/39/17/14/211391714.db2.gz QOTDAOWASSRIRF-UHFFFAOYSA-N 0 0 388.493 0.849 40 0 GCABRN CCC(=O)N1CCc2nc3cc(C4CCN(C(=O)CO)CC4)[n-]n3c(=O)c2C1 ZINC000100243081 211384207 /nfs/dbraw/zinc/38/42/07/211384207.db2.gz ZJFFCDZMOREFCJ-UHFFFAOYSA-N 0 0 387.440 0.428 40 0 GCABRN CCOC(=O)/C=c1/s/c(=C\c2ccc(C)cc2)c(=O)n1CC(=O)OCC ZINC000096893645 211348952 /nfs/dbraw/zinc/34/89/52/211348952.db2.gz CQEWXSUDPONJEK-MBKDJOQRSA-N 0 0 375.446 0.954 40 0 GCABRN CCCC(=O)N1CCC2(CC1)O[C@H](C(=O)N1CCN(C)CC1)Cn1ccnc12 ZINC000096243752 211325190 /nfs/dbraw/zinc/32/51/90/211325190.db2.gz GRSWEPWJCZUORR-INIZCTEOSA-N 0 0 389.500 0.674 40 0 GCABRN CN(C)C(=O)CN1C[C@@H]2c3nc(NCC4CC4)ncc3CS(=O)(=O)[C@@H]2C1 ZINC000096251934 211324515 /nfs/dbraw/zinc/32/45/15/211324515.db2.gz CGGGRSGTXNWWJD-UONOGXRCSA-N 0 0 379.486 0.083 40 0 GCABRN CCN1CC[C@@]2(CN(C(=O)N(C)C)CC23CCN(C(=O)COC)CC3)C1=O ZINC000096036611 211294705 /nfs/dbraw/zinc/29/47/05/211294705.db2.gz HEQYRQGGTVEAMX-LJQANCHMSA-N 0 0 380.489 0.477 40 0 GCABRN CNC(=O)[C@@]12CCC3(CCN(C(=O)c4ccncn4)CC3)[C@@H]1CN(C(C)=O)C2 ZINC000096143762 211308831 /nfs/dbraw/zinc/30/88/31/211308831.db2.gz MYSGSZJVADWRGI-OXJNMPFZSA-N 0 0 385.468 0.704 40 0 GCABRN COc1ccc(C(=O)N2CCN(C(=O)N(C)C)C[C@]3(CC(=O)N(C)C3)C2)cc1 ZINC000096143420 211308472 /nfs/dbraw/zinc/30/84/72/211308472.db2.gz GUYQPDGZKPAAJA-FQEVSTJZSA-N 0 0 388.468 0.983 40 0 GCABRN COCCNC(=O)Cn1nc2n(c1=O)-c1cc(Cl)ccc1C1=NCCN21 ZINC000072348107 211095837 /nfs/dbraw/zinc/09/58/37/211095837.db2.gz NOMXMRKEKWYLCX-UHFFFAOYSA-N 0 0 376.804 0.030 40 0 GCABRN O=C(CN1CC[C@]2(CCC1=O)NC(=O)c1ccccc1O2)NC[C@@H]1CCCO1 ZINC000072326014 211090037 /nfs/dbraw/zinc/09/00/37/211090037.db2.gz RUFBLEWFMGHEES-VBKZILBWSA-N 0 0 387.436 0.813 40 0 GCABRN COC(=O)C1CCN(C(=O)[C@H]2CN(S(C)(=O)=O)c3cc(C)ccc3O2)CC1 ZINC000044914699 210817285 /nfs/dbraw/zinc/81/72/85/210817285.db2.gz RLMHMSCJSQIHKL-MRXNPFEDSA-N 0 0 396.465 0.934 40 0 GCABRN COc1ccc(OC)c(N(CC(=O)NCCCn2ccnc2)S(C)(=O)=O)c1 ZINC000408602881 532965034 /nfs/dbraw/zinc/96/50/34/532965034.db2.gz DCGWQFFKCLXBGX-UHFFFAOYSA-N 0 0 396.469 0.873 40 0 GCABRN COc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)N1CCN(C=O)CC1 ZINC000047157227 533044773 /nfs/dbraw/zinc/04/47/73/533044773.db2.gz PZJNUDYGSUZNIS-UHFFFAOYSA-N 0 0 395.481 0.784 40 0 GCABRN COc1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(N4CCOCC4)nc(N)c32)cc1 ZINC000020674098 210354867 /nfs/dbraw/zinc/35/48/67/210354867.db2.gz UREZTSVZZRVLQA-ZDUSSCGKSA-N 0 0 398.423 0.969 40 0 GCABRN CCCCCC(=O)[C@](C)(C1=Nc2nnc(N)n2C1=O)C1=NC(=O)c2nnc(N)n21 ZINC000019924421 210307006 /nfs/dbraw/zinc/30/70/06/210307006.db2.gz QETSVAJRYMQKAN-MRXNPFEDSA-N 0 0 398.387 0.017 40 0 GCABRN CNc1nc([C@H]2CCCCN2C(C)=O)nc2c1CN(S(=O)(=O)N(C)C)CC2 ZINC000019711597 210285499 /nfs/dbraw/zinc/28/54/99/210285499.db2.gz OCXYHYBASGOCPY-OAHLLOKOSA-N 0 0 396.517 0.756 40 0 GCABRN CN(C)C(=O)c1cn(C)nc1CC1CCN(S(=O)(=O)c2cn(C)cn2)CC1 ZINC000019756310 210293867 /nfs/dbraw/zinc/29/38/67/210293867.db2.gz HBMCEUGZPXAPST-UHFFFAOYSA-N 0 0 394.501 0.499 40 0 GCABRN COCC(=O)N[C@H]1Cc2ccc(S(=O)(=O)NCCn3ccc(C)n3)cc2C1 ZINC000019749635 210293751 /nfs/dbraw/zinc/29/37/51/210293751.db2.gz IGNQOTJIVTYROV-INIZCTEOSA-N 0 0 392.481 0.400 40 0 GCABRN CCN(CC)S(=O)(=O)N1CCN(S(=O)(=O)N2CCC[C@H](C)C2)CC1 ZINC000019715974 210287906 /nfs/dbraw/zinc/28/79/06/210287906.db2.gz RSBHXVXLVTXYIN-AWEZNQCLSA-N 0 0 382.552 0.167 40 0 GCABRN CCN(CC)S(=O)(=O)N1CCN(S(=O)(=O)N2CCC[C@@H](C)C2)CC1 ZINC000019715973 210287269 /nfs/dbraw/zinc/28/72/69/210287269.db2.gz RSBHXVXLVTXYIN-CQSZACIVSA-N 0 0 382.552 0.167 40 0 GCABRN CC1(C)C(=O)NCCN1C(=O)c1ccc([C@@H]2CCCN(S(C)(=O)=O)C2)nc1 ZINC000019706013 210283242 /nfs/dbraw/zinc/28/32/42/210283242.db2.gz AOYGOCGVESHFKJ-CQSZACIVSA-N 0 0 394.497 0.571 40 0 GCABRN CC(C)N1C[C@H](C(=O)NCCNC2=NS(=O)(=O)c3ccccc32)CC1=O ZINC000019659366 210276341 /nfs/dbraw/zinc/27/63/41/210276341.db2.gz RVHGCQBKSQWSQA-GFCCVEGCSA-N 0 0 378.454 0.098 40 0 GCABRN NC(=O)C1(N2CCOCC2)CCN(CC(=O)N2CCCc3ccccc32)CC1 ZINC000019659179 210276433 /nfs/dbraw/zinc/27/64/33/210276433.db2.gz BVCGSKCONVGDQN-UHFFFAOYSA-N 0 0 386.496 0.618 40 0 GCABRN COc1ccc(-c2ccc(=O)n(C[C@H](C)NC(=O)c3ccc(=O)[nH]n3)n2)cc1 ZINC000012182874 221162255 /nfs/dbraw/zinc/16/22/55/221162255.db2.gz JVFFYBINAMCNOA-LBPRGKRZSA-N 0 0 381.392 0.821 40 0 GCABRN O=C(OC[C@H](O)[C@H](O)[C@@H](O)[C@@H](O)COC(=O)c1ccccc1)c1ccccc1 ZINC000014586321 221312241 /nfs/dbraw/zinc/31/22/41/221312241.db2.gz LDFVROHMRYBVGB-XSLAGTTESA-N 0 0 390.388 0.144 40 0 GCABRN O=C(c1cscn1)N1CCC[C@@H](Cn2cc(C(=O)N3CCOCC3)nn2)C1 ZINC000019292159 221405960 /nfs/dbraw/zinc/40/59/60/221405960.db2.gz GDTBZSOKZABWPB-CYBMUJFWSA-N 0 0 390.469 0.759 40 0 GCABRN CCN1C[C@@H](C(=O)N2CCc3nc([C@H]4CCN(C(C)=O)C4)ncc3C2)CC1=O ZINC000019526967 221421450 /nfs/dbraw/zinc/42/14/50/221421450.db2.gz YFMJFFRMSZRANS-GJZGRUSLSA-N 0 0 385.468 0.566 40 0 GCABRN CS(=O)(=O)N(CC(=O)NCCCN1CCOCC1)Cc1ccc(F)cc1 ZINC000408620901 533377284 /nfs/dbraw/zinc/37/72/84/533377284.db2.gz MUDUVOKKSFMCFA-UHFFFAOYSA-N 0 0 387.477 0.426 40 0 GCABRN COc1ccc(S(=O)(=O)NCc2ccnc(N3CCOCC3)n2)cc1OC ZINC000224221884 136206506 /nfs/dbraw/zinc/20/65/06/136206506.db2.gz OYYGITDZSDBXNH-UHFFFAOYSA-N 0 0 394.453 0.809 40 0 GCABRN C[C@@H]1CCC[C@@H](C)N1C(=O)Cn1c2ccccc2n2c1nn(CC(N)=O)c2=O ZINC000072347051 222232484 /nfs/dbraw/zinc/23/24/84/222232484.db2.gz ICZMTPIFUZIXAC-CHWSQXEVSA-N 0 0 384.440 0.726 40 0 GCABRN C[C@@H]1CCC[C@H](C)N1C(=O)Cn1c2ccccc2n2c1nn(CC(N)=O)c2=O ZINC000072347049 222233836 /nfs/dbraw/zinc/23/38/36/222233836.db2.gz ICZMTPIFUZIXAC-BETUJISGSA-N 0 0 384.440 0.726 40 0 GCABRN CCNS(=O)(=O)c1cc(C(=O)NCCCN2CCOCC2)ccc1OCC ZINC000408701342 528375412 /nfs/dbraw/zinc/37/54/12/528375412.db2.gz WLISFDYBDRHUQB-UHFFFAOYSA-N 0 0 399.513 0.836 40 0 GCABRN CCNS(=O)(=O)c1ccc(CCC(=O)NCCCN2CCOCC2)cc1 ZINC000408594268 528383381 /nfs/dbraw/zinc/38/33/81/528383381.db2.gz OGHLZHPVDZVYFU-UHFFFAOYSA-N 0 0 383.514 0.756 40 0 GCABRN O=C(c1cccnc1)N1CC2(C1)CN(C(=O)c1cccnc1)C[C@@H]1C[C@@H](O)CN12 ZINC000514290166 560030231 /nfs/dbraw/zinc/03/02/31/560030231.db2.gz UUSFSRGTHVQLSA-ZWKOTPCHSA-N 0 0 393.447 0.262 40 0 biogenic,in-vitro GCABRN COc1ccc(C(=O)N[C@H]2CO[C@@H](CN3CCCN(C(C)=O)CC3)[C@@H]2O)cc1 ZINC000514289698 560032081 /nfs/dbraw/zinc/03/20/81/560032081.db2.gz YMOKDMAFAADBFV-GBESFXJTSA-N 0 0 391.468 0.108 40 0 biogenic,in-vitro GCABRN COc1cccc(CC(=O)N[C@@H]2C[C@H](Cn3cc(C4CC4)nn3)[C@@H](O)[C@H]2O)c1 ZINC000225498142 560042517 /nfs/dbraw/zinc/04/25/17/560042517.db2.gz PUAOSYCALDMNTH-FCNFAXOHSA-N 0 0 386.452 0.633 40 0 biogenic,in-vitro GCABRN CC(C)CN1CC2(C1)C(=O)N(Cc1ccccc1F)C(=O)[C@@H]1C[C@@H](O)CN12 ZINC000225390556 560043772 /nfs/dbraw/zinc/04/37/72/560043772.db2.gz DGIFSZWJLULCEP-WBVHZDCISA-N 0 0 375.444 0.840 40 0 biogenic,in-vitro GCABRN O=C1[C@@H]2C[C@@H](O)CN2C2(CN(Cc3ccccn3)C2)C(=O)N1Cc1ccccc1 ZINC000225381987 560044155 /nfs/dbraw/zinc/04/41/55/560044155.db2.gz IAODHGPEINCJCG-MOPGFXCFSA-N 0 0 392.459 0.640 40 0 biogenic,in-vitro GCABRN CS(=O)(=O)c1ccc(C[NH2+][C@@H]2CO[C@H](CNC(=O)C3CCCC3)[C@H]2O)cc1 ZINC000077264066 560046831 /nfs/dbraw/zinc/04/68/31/560046831.db2.gz AAQMYXGDTZFTOP-KURKYZTESA-N 0 0 396.509 0.614 40 0 biogenic,in-vitro GCABRN CC(=O)OC[C@]12C[C@H](O)C(C)=C[C@H]1O[C@@H]1[C@H](O)[C@@H](OC(C)=O)[C@@]2(C)[C@@]12CO2 ZINC000027642636 560090810 /nfs/dbraw/zinc/09/08/10/560090810.db2.gz TVZHDVCTOCZDNE-LVJXWLTRSA-N 0 0 382.409 0.096 40 0 biogenic,in-vitro GCABRN COc1ccc(-c2ccnc(N[C@H]3CO[C@@H]4[C@H](OCC(N)=O)CO[C@H]34)n2)cc1 ZINC000005434158 560201985 /nfs/dbraw/zinc/20/19/85/560201985.db2.gz XTKZICXPTPVZST-BURFUSLBSA-N 0 0 386.408 0.601 40 0 biogenic,in-vitro GCABRN O=C(C1CCC1)N1C[C@H]2C[C@H]3[C@@](CN(Cc4ccncc4)S3(=O)=O)(C1)O2 ZINC000096146002 570213766 /nfs/dbraw/zinc/21/37/66/570213766.db2.gz MOKYVQRESSQKSE-RYRKJORJSA-N 0 0 377.466 0.766 40 0 GCABRN CN(C)C(=O)CN1C[C@H]2CCN(C(=O)c3ccccc3)CC[C@H]2S1(=O)=O ZINC000096145615 570213794 /nfs/dbraw/zinc/21/37/94/570213794.db2.gz IMZOLLRDWJKFCJ-HZPDHXFCSA-N 0 0 379.482 0.641 40 0 GCABRN CCN1Cc2c(C(=O)N3CCC(O)CC3)ncn2-c2ccccc2S1(=O)=O ZINC000096147344 570214134 /nfs/dbraw/zinc/21/41/34/570214134.db2.gz VXXHAOPTPUJKFY-UHFFFAOYSA-N 0 0 390.465 0.993 40 0 GCABRN COCCn1nnnc1[C@@H](c1cc2cccc(C)c2[nH]c1=O)N1CCN(C)CC1 ZINC000019973064 570234136 /nfs/dbraw/zinc/23/41/36/570234136.db2.gz TVJWFNFERDJQNS-GOSISDBHSA-N 0 0 397.483 0.806 40 0 GCABRN CN(C)S(=O)(=O)N1CCC[C@H](C(=O)Nc2ccc3c(c2)n(C)c(=O)n3C)C1 ZINC000020049944 570238032 /nfs/dbraw/zinc/23/80/32/570238032.db2.gz DJCPQWKKKXVPQJ-LBPRGKRZSA-N 0 0 395.485 0.334 40 0 GCABRN Cc1ccc(C)c(N(CC(=O)N2CCN(C=O)CC2)S(=O)(=O)N(C)C)c1 ZINC000020244968 570249798 /nfs/dbraw/zinc/24/97/98/570249798.db2.gz TWJCWNLFLLIPJF-UHFFFAOYSA-N 0 0 382.486 0.217 40 0 GCABRN NC(=O)C[C@]1(COc2ccc(F)cc2)CN(C(=O)Cn2ccnc2)CCO1 ZINC000585283976 570252132 /nfs/dbraw/zinc/25/21/32/570252132.db2.gz PYXLXQAWVDCUQJ-GOSISDBHSA-N 0 0 376.388 0.574 40 0 GCABRN O=C(c1ccccc1)N1CC[C@@H](O)[C@](O)(CN2CCN(c3ncccn3)CC2)C1 ZINC000585290709 570259400 /nfs/dbraw/zinc/25/94/00/570259400.db2.gz UPTKRGPXIBJCQS-NQIIRXRSSA-N 0 0 397.479 0.237 40 0 GCABRN CC(C)c1cc(CNC[C@]2(O)CN(S(=O)(=O)c3ccccc3)C[C@H]2O)on1 ZINC000585291176 570259774 /nfs/dbraw/zinc/25/97/74/570259774.db2.gz LHHDOVROGDIABT-MSOLQXFVSA-N 0 0 395.481 0.684 40 0 GCABRN CC(=O)OCC1(CC(=O)N2CCOCC2)CCN(Cc2nccn2C)CC1 ZINC000585294146 570263492 /nfs/dbraw/zinc/26/34/92/570263492.db2.gz QSPRRGACJRDIGP-UHFFFAOYSA-N 0 0 378.473 0.814 40 0 GCABRN Cc1[nH]c(=O)[nH]c(=O)c1C=CC(=O)N[C@H](CO)CSCc1ccccc1 ZINC000001756811 570267736 /nfs/dbraw/zinc/26/77/36/570267736.db2.gz PVVOXOJGFNXJJC-HSBSLETESA-N 0 0 375.450 0.795 40 0 GCABRN CC(=O)N1C[C@H]([NH2+][C@H](Cc2c[nH]cn2)C(=O)[O-])C(c2ccc(N(C)C)cc2)=N1 ZINC000006022447 570275627 /nfs/dbraw/zinc/27/56/27/570275627.db2.gz JWWXOYVUAOFRDC-SJORKVTESA-N 0 0 384.440 0.696 40 0 GCABRN COCCCNC(=O)C(=O)NCc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000020768868 570281977 /nfs/dbraw/zinc/28/19/77/570281977.db2.gz OMJKFLBNRGULGF-UHFFFAOYSA-N 0 0 397.497 0.630 40 0 GCABRN CC(=O)OC[C@@H]1O[C@H](n2ccc(=O)[nH]c2=S)[C@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000102987254 570293698 /nfs/dbraw/zinc/29/36/98/570293698.db2.gz YKDNCFTUUKOENT-ASEORRQLSA-N 0 0 386.382 0.642 40 0 GCABRN CC(=O)N1CCN(S(=O)(=O)Cc2ccccc2)C[C@@]2(CC(=O)N(C)C2)C1 ZINC000105040397 570304218 /nfs/dbraw/zinc/30/42/18/570304218.db2.gz AUMWSFVHQWXXIP-GOSISDBHSA-N 0 0 379.482 0.529 40 0 GCABRN CC[C@@H](C)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]([C@H](C)O)N[C@@]21C(=O)Nc2ccc(F)cc21 ZINC000105352607 570304667 /nfs/dbraw/zinc/30/46/67/570304667.db2.gz IXUGXRFAPZBLMB-HJOKXZNTSA-N 0 0 375.400 0.725 40 0 GCABRN CC(C)CNC(=O)C(=O)NCCc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000022228095 570308149 /nfs/dbraw/zinc/30/81/49/570308149.db2.gz CPMWUIGSOJCJKJ-UHFFFAOYSA-N 0 0 381.498 0.902 40 0 GCABRN COc1ccc(N(C)S(C)(=O)=O)cc1C(=O)NCCCN1CCOCC1 ZINC000022251692 570310857 /nfs/dbraw/zinc/31/08/57/570310857.db2.gz KUFILSMFMJYXIV-UHFFFAOYSA-N 0 0 385.486 0.543 40 0 GCABRN O=C(NCCCn1ccnc1)c1ccc(CS(=O)(=O)N2CCOCC2)cc1 ZINC000022525327 570320225 /nfs/dbraw/zinc/32/02/25/570320225.db2.gz GINONBLMVWSREZ-UHFFFAOYSA-N 0 0 392.481 0.865 40 0 GCABRN CN1CCN(C(=O)CCCN(c2ccc3c(c2)OCCO3)S(C)(=O)=O)CC1 ZINC000113966176 570337805 /nfs/dbraw/zinc/33/78/05/570337805.db2.gz IIALMWTYVKBXBG-UHFFFAOYSA-N 0 0 397.497 0.778 40 0 GCABRN CC(C)Oc1ccc(N(CC(=O)NCCN2CCOCC2)S(C)(=O)=O)cc1 ZINC000219147351 570348181 /nfs/dbraw/zinc/34/81/81/570348181.db2.gz OXUOIMXFSYPEMK-UHFFFAOYSA-N 0 0 399.513 0.688 40 0 GCABRN CC(=O)N1CCC(N2CC3(C2)CN(C(=O)C(C)C)C[C@@H]2COCCN23)CC1 ZINC000604382022 570353117 /nfs/dbraw/zinc/35/31/17/570353117.db2.gz ZIGCVXMKMVFBHR-GOSISDBHSA-N 0 0 378.517 0.251 40 0 biogenic,in-vitro GCABRN Cn1cncc1CN1CC2(C1)CN(C(=O)c1ccccc1)C[C@@H]1COCCN12 ZINC000604381964 570353129 /nfs/dbraw/zinc/35/31/29/570353129.db2.gz WVPOFIQPNNKAIR-LJQANCHMSA-N 0 0 381.480 0.831 40 0 biogenic,in-vitro GCABRN CS(=O)(=O)c1cnc2ncnn2c1[C@@H]1CCCN(C(=O)c2cc[nH]n2)C1 ZINC000057730077 570371177 /nfs/dbraw/zinc/37/11/77/570371177.db2.gz QUYYIIQREYRZKF-SNVBAGLBSA-N 0 0 375.414 0.271 40 0 GCABRN CN(CCCC(=O)NCCCN1CCOCC1)S(=O)(=O)c1ccccc1 ZINC000219719668 570374238 /nfs/dbraw/zinc/37/42/38/570374238.db2.gz ZKWIMHBEEXIRCJ-UHFFFAOYSA-N 0 0 383.514 0.926 40 0 GCABRN CCOc1ccc(S(=O)(=O)N[C@H](C)C(=O)N2CCC(C(N)=O)CC2)cc1 ZINC000408625571 570377107 /nfs/dbraw/zinc/37/71/07/570377107.db2.gz SXQQIUODPKIUJW-GFCCVEGCSA-N 0 0 383.470 0.476 40 0 GCABRN CN1CCN(c2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2cccc(F)c2)CC1 ZINC000004993040 570391367 /nfs/dbraw/zinc/39/13/67/570391367.db2.gz YOQRXZHCRHSKOH-UHFFFAOYSA-N 0 0 386.431 0.373 40 0 GCABRN C[C@@]1(O)[C@H](n2cnc3c2nc(Cl)nc3NC2CCCC2)O[C@@H](CO)[C@@H]1O ZINC000584567020 570410392 /nfs/dbraw/zinc/41/03/92/570410392.db2.gz MMPAUXMIDJWGFO-BFHKRMIJSA-N 0 0 383.836 0.836 40 0 GCABRN CC[C@@H](C)NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(-n3cnnn3)cc2)C1 ZINC000004411426 570421106 /nfs/dbraw/zinc/42/11/06/570421106.db2.gz RUZMRLNEEMNAMP-ZIAGYGMSSA-N 0 0 392.485 0.978 40 0 GCABRN COC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC(N)=O)NC(=O)OCc1ccccc1 ZINC000004994463 570422280 /nfs/dbraw/zinc/42/22/80/570422280.db2.gz HUBNAZBHTDOFGE-CABCVRRESA-N 0 0 393.440 0.861 40 0 GCABRN CC(=O)c1c(C)cc2cccc(O[C@H]3O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]3O)c2c1O ZINC000005085267 570428584 /nfs/dbraw/zinc/42/85/84/570428584.db2.gz FZUPKYUANHOYBD-QTDHTUKWSA-N 0 0 378.377 0.235 40 0 GCABRN CC(=O)c1c(C)cc2cccc(O[C@@H]3O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]3O)c2c1O ZINC000005085272 570428620 /nfs/dbraw/zinc/42/86/20/570428620.db2.gz FZUPKYUANHOYBD-KSOYODCDSA-N 0 0 378.377 0.235 40 0 GCABRN O=C(OC[C@H]1O[C@@H](Oc2ccccc2CO)[C@@H](O)[C@@H](O)[C@@H]1O)c1ccccc1 ZINC000005083206 570428677 /nfs/dbraw/zinc/42/86/77/570428677.db2.gz HHSKNLJWHGXWPK-PKRADWSKSA-N 0 0 390.388 0.222 40 0 GCABRN CCS[C@H]1[C@@H](OC(C)=O)O[C@@H]([C@@H](COC(C)=O)OC(C)=O)[C@@H]1OC(C)=O ZINC000005120800 570430134 /nfs/dbraw/zinc/43/01/34/570430134.db2.gz STZCNEXTAMKTRZ-CWVYHPPDSA-N 0 0 392.426 0.823 40 0 GCABRN CCCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CN(C)S(C)(=O)=O ZINC000222892122 570430423 /nfs/dbraw/zinc/43/04/23/570430423.db2.gz BSFICBGMOWDCPL-CYBMUJFWSA-N 0 0 387.477 0.960 40 0 GCABRN COCCNC(=O)c1cnc(CN(C)S(=O)(=O)c2ccc(C)cc2)nc1 ZINC000223386521 570463096 /nfs/dbraw/zinc/46/30/96/570463096.db2.gz CXUZLYMXUODEJN-UHFFFAOYSA-N 0 0 378.454 0.982 40 0 GCABRN Cc1ccc(S(=O)(=O)N(C)Cc2ncc(C(=O)NCCCO)cn2)cc1 ZINC000223386438 570463198 /nfs/dbraw/zinc/46/31/98/570463198.db2.gz GSWMVQQWKMFFMQ-UHFFFAOYSA-N 0 0 378.454 0.718 40 0 GCABRN COCCNC(=O)[C@H](OC(=O)CN1C(=O)COc2ccccc21)c1cccnc1 ZINC000035315690 570469831 /nfs/dbraw/zinc/46/98/31/570469831.db2.gz KBHWPFAMWVSGEA-LJQANCHMSA-N 0 0 399.403 0.854 40 0 GCABRN CCOC(=O)N1CCN(C(=O)CN(C)S(=O)(=O)c2ccc(OC)cc2)CC1 ZINC000006497444 570481757 /nfs/dbraw/zinc/48/17/57/570481757.db2.gz BVAYQWWEONYFQD-UHFFFAOYSA-N 0 0 399.469 0.616 40 0 GCABRN CCCn1c(SCC(=O)NC[C@@H]2CCCO2)nc2c1c(=O)n(C)c(=O)n2C ZINC000000880940 570507830 /nfs/dbraw/zinc/50/78/30/570507830.db2.gz CQHQKEUPUIMANL-NSHDSACASA-N 0 0 395.485 0.231 40 0 GCABRN CCCn1c(SCC(=O)NCc2ccco2)nc2c1c(=O)n(C)c(=O)n2C ZINC000000880869 570507892 /nfs/dbraw/zinc/50/78/92/570507892.db2.gz HXQCHCHNUJVFTE-UHFFFAOYSA-N 0 0 391.453 0.845 40 0 GCABRN COC(=O)CN(C(=O)Cc1ccc(OC)c(OC)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000032641283 570512810 /nfs/dbraw/zinc/51/28/10/570512810.db2.gz XSWPEWYBXIQZRE-CYBMUJFWSA-N 0 0 385.438 0.435 40 0 GCABRN COC(=O)CCN(C(=O)Cc1ccc(OC)c(OC)c1)[C@H]1CCS(=O)(=O)C1 ZINC000032641518 570513140 /nfs/dbraw/zinc/51/31/40/570513140.db2.gz MEPJSOBOTXWFPZ-AWEZNQCLSA-N 0 0 399.465 0.825 40 0 GCABRN COCCn1ccc(C(=O)N2CC3(C2)C[C@H](OCC(=O)N(C)C)CS3)n1 ZINC000575402359 570519164 /nfs/dbraw/zinc/51/91/64/570519164.db2.gz BHOULFVGLOJOPS-ZDUSSCGKSA-N 0 0 382.486 0.334 40 0 GCABRN CCCc1onc(C)c1C(=O)N1CC2(C1)CN(CC1CC1)[C@H](C(=O)NC)CO2 ZINC000575404330 570520556 /nfs/dbraw/zinc/52/05/56/570520556.db2.gz LPWUIUAVTOUUPB-HNNXBMFYSA-N 0 0 390.484 0.987 40 0 GCABRN COCCn1ccc(C(=O)N2CC3(C2)CC[C@H](CN2CCCC2=O)CO3)n1 ZINC000575405038 570521271 /nfs/dbraw/zinc/52/12/71/570521271.db2.gz QQBIKVZEEBBEKH-OAHLLOKOSA-N 0 0 376.457 0.773 40 0 GCABRN COc1ccccc1NC(=O)CSc1nc2c(c(=O)n(C)c(=O)n2C)n1C ZINC000000928631 570539359 /nfs/dbraw/zinc/53/93/59/570539359.db2.gz OXHPMFLUGMMHHB-UHFFFAOYSA-N 0 0 389.437 0.710 40 0 GCABRN O=C1CCC(=O)N1c1ccc(S(=O)(=O)NCCCN2CCOCC2)cc1 ZINC000225084248 570547965 /nfs/dbraw/zinc/54/79/65/570547965.db2.gz MRTHRBNRUNBIOT-UHFFFAOYSA-N 0 0 381.454 0.341 40 0 GCABRN COC(=O)c1cc(OC)c(OC)cc1NC(=O)C[C@H]1Cn2ncnc2NC1=O ZINC000040386845 570599119 /nfs/dbraw/zinc/59/91/19/570599119.db2.gz DQBLXXWLTFJEKZ-VIFPVBQESA-N 0 0 389.368 0.679 40 0 GCABRN COCCNC(=O)c1cn(C[C@H]2CCCN(C(=O)c3cnc(C)cn3)C2)nn1 ZINC000012141948 570615067 /nfs/dbraw/zinc/61/50/67/570615067.db2.gz KKSSBHJAFWBUTM-AWEZNQCLSA-N 0 0 387.444 0.305 40 0 GCABRN COCCCNC(=S)N(CCO)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 ZINC000004160432 570619499 /nfs/dbraw/zinc/61/94/99/570619499.db2.gz GBKRIVGGUYCGQB-UHFFFAOYSA-N 0 0 393.465 0.962 40 0 GCABRN CCn1c(SCC(=O)N2CCC[C@H](C)C2)nc2c1c(=O)n(C)c(=O)n2C ZINC000004161088 570619690 /nfs/dbraw/zinc/61/96/90/570619690.db2.gz JGFCLILUAFBHMN-NSHDSACASA-N 0 0 379.486 0.804 40 0 GCABRN CCCCn1c(SCC(=O)N2CCOCC2)nc2c1c(=O)n(C)c(=O)n2C ZINC000004161106 570619741 /nfs/dbraw/zinc/61/97/41/570619741.db2.gz WJBXBHGGHAMOJW-UHFFFAOYSA-N 0 0 395.485 0.185 40 0 GCABRN CC[C@H](C)NC(=O)C1CCN(S(=O)(=O)c2ccc(-n3cnnn3)cc2)CC1 ZINC000004240195 570622584 /nfs/dbraw/zinc/62/25/84/570622584.db2.gz JLNKMDVXAYFYLG-ZDUSSCGKSA-N 0 0 392.485 0.978 40 0 GCABRN O=C(Cn1cccnc1=O)N1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1 ZINC000012325260 570643251 /nfs/dbraw/zinc/64/32/51/570643251.db2.gz NLCYQQSMSOPTHD-UHFFFAOYSA-N 0 0 398.391 0.055 40 0 GCABRN CC(C)C[C@@H](NC(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C)C(=O)N[C@@H](C)C(N)=O ZINC000005027218 570657654 /nfs/dbraw/zinc/65/76/54/570657654.db2.gz IZDFHHVPNPDEDP-MJBXVCDLSA-N 0 0 398.504 0.907 40 0 GCABRN Cc1ccccc1OC[C@H](O)Cn1c(Cl)nc2c1c(=O)n(C)c(=O)n2C ZINC000005018868 570657850 /nfs/dbraw/zinc/65/78/50/570657850.db2.gz PIMUYWLBUPPWRW-LLVKDONJSA-N 0 0 378.816 0.835 40 0 GCABRN CC(C)NC(=O)[C@H](C)Oc1ccc(S(=O)(=O)N2CCC(C(N)=O)CC2)cc1 ZINC000005060409 570658591 /nfs/dbraw/zinc/65/85/91/570658591.db2.gz VCRBBIURGUHWFU-ZDUSSCGKSA-N 0 0 397.497 0.865 40 0 GCABRN COC(=O)c1ccc([C@H]2c3sc(=O)[nH]c3S[C@@H](C(N)=O)[C@@H]2C(N)=O)cc1 ZINC000096318968 570673588 /nfs/dbraw/zinc/67/35/88/570673588.db2.gz FDRDLEDRBRPMKE-OPRDCNLKSA-N 0 0 393.446 0.416 40 0 GCABRN Cc1ccc(OCC(=O)N2Cc3cncn3[C@H](CNS(C)(=O)=O)C2)cc1 ZINC000248005039 570719654 /nfs/dbraw/zinc/71/96/54/570719654.db2.gz GCGKYLKYLLZALJ-OAHLLOKOSA-N 0 0 378.454 0.703 40 0 GCABRN CNC(=O)[C@H]1COC2(CN(C(=O)c3ccc4c(c3)OCCCO4)C2)CN1C ZINC000248023271 570719931 /nfs/dbraw/zinc/71/99/31/570719931.db2.gz JYIDESPDUJFZSR-CQSZACIVSA-N 0 0 375.425 0.119 40 0 GCABRN CCOC(=O)[C@@H]1C(=O)Nc2c(c(=O)n(C)c(=O)n2C)[C@H]1c1ccc(F)cc1 ZINC000004999286 570730763 /nfs/dbraw/zinc/73/07/63/570730763.db2.gz PWYPAGXBJINJHK-YPMHNXCESA-N 0 0 375.356 0.486 40 0 GCABRN Cc1ccc(C2=NN[C@H]([C@](C)(O)[C@](C)(O)[C@](C)(O)[C@](C)(O)CO)S2)cc1 ZINC000006204414 570738990 /nfs/dbraw/zinc/73/89/90/570738990.db2.gz MMIZAZUVAUSVMY-RZFLPCETSA-N 0 0 384.498 0.315 40 0 GCABRN NC(=O)COc1cccc(/C=c2\sc3nc(-c4ccncc4)nn3c2=O)c1 ZINC000256027930 570758228 /nfs/dbraw/zinc/75/82/28/570758228.db2.gz KDFRBEQQEYHSHX-ZROIWOOFSA-N 0 0 379.401 0.625 40 0 GCABRN CCOC(=O)[C@H]1CS[C@@H](CC(=O)Nc2ccc3c(c2)OCCO3)C(=O)N1 ZINC000009939446 570777950 /nfs/dbraw/zinc/77/79/50/570777950.db2.gz ULDZFQWNCWGFPE-RISCZKNCSA-N 0 0 380.422 0.950 40 0 GCABRN COC(=O)c1ccc([C@@H]2[C@@H](C(=O)OC)C(=O)C[C@](C)(O)[C@@H]2C(=O)OC)cc1 ZINC000012662899 570809508 /nfs/dbraw/zinc/80/95/08/570809508.db2.gz YYAVVEHWOUBCRK-QZNHQWIBSA-N 0 0 378.377 0.859 40 0 GCABRN COC(=O)C1CCN(C(=O)CN(C)S(=O)(=O)c2ccc(OC)cc2)CC1 ZINC000015370934 570892904 /nfs/dbraw/zinc/89/29/04/570892904.db2.gz RKGIOLBCEQVKNX-UHFFFAOYSA-N 0 0 384.454 0.727 40 0 GCABRN CCOc1ccc(S(=O)(=O)N(C)CC(=O)NCCN2CCOCC2)cc1C ZINC000016692225 570931294 /nfs/dbraw/zinc/93/12/94/570931294.db2.gz YPYAOVNFLBRAPU-UHFFFAOYSA-N 0 0 399.513 0.463 40 0 GCABRN COCCN1C[C@]2(CC1=O)COCCN(Cc1ccc(S(C)(=O)=O)cc1)C2 ZINC000585105021 570934074 /nfs/dbraw/zinc/93/40/74/570934074.db2.gz YTXVUJSLKQIPNW-LJQANCHMSA-N 0 0 396.509 0.787 40 0 GCABRN CC(C)n1nc2n(c(=O)c1=O)CC1(C2)CCN(C(=O)Cc2ccn(C)n2)CC1 ZINC000585105955 570935373 /nfs/dbraw/zinc/93/53/73/570935373.db2.gz AALPANVIBZICPF-UHFFFAOYSA-N 0 0 386.456 0.127 40 0 GCABRN Cn1nccc1C(=O)N1CC[C@H]2O[C@@H](COCCN3CCOCC3)CC[C@H]21 ZINC000585108475 570940184 /nfs/dbraw/zinc/94/01/84/570940184.db2.gz SKPFAJPRHKIBEZ-JFIYKMOQSA-N 0 0 378.473 0.531 40 0 GCABRN CN(Cc1ccccn1)C(=O)[C@H]1CC[C@@H]2[C@@H](CCN2C(=O)c2ncn(C)n2)O1 ZINC000585108757 570940701 /nfs/dbraw/zinc/94/07/01/570940701.db2.gz WZJDYWZBIBCNHY-BZUAXINKSA-N 0 0 384.440 0.631 40 0 GCABRN Cc1noc([C@@H]2CNC(=O)[C@H]3CCN(C(=O)CCc4cncnc4)CC[C@@H]23)n1 ZINC000585109074 570941060 /nfs/dbraw/zinc/94/10/60/570941060.db2.gz SKDWXBLBCLOERW-OWCLPIDISA-N 0 0 384.440 0.869 40 0 GCABRN CC(=O)N1CCC[C@@H](c2ncc3c(n2)CCN(C(=O)[C@H]2CC(=O)N(C)C2)C3)C1 ZINC000019017047 570953990 /nfs/dbraw/zinc/95/39/90/570953990.db2.gz YGVIMQJHCQUJLV-CABCVRRESA-N 0 0 385.468 0.566 40 0 GCABRN CC(=O)N1CCC[C@H](c2ncc3c(n2)CCN(C(=O)[C@@H]2CC(=O)N(C)C2)C3)C1 ZINC000019017052 570954173 /nfs/dbraw/zinc/95/41/73/570954173.db2.gz YGVIMQJHCQUJLV-LSDHHAIUSA-N 0 0 385.468 0.566 40 0 GCABRN Cn1cc(C(=O)N2CCC(c3cc(=O)[nH]c(-c4cnccn4)n3)CC2)ccc1=O ZINC000019290492 570971857 /nfs/dbraw/zinc/97/18/57/570971857.db2.gz UNTBARDQWGAFOJ-UHFFFAOYSA-N 0 0 392.419 0.945 40 0 GCABRN CCc1cc(CNC(=O)[C@@H]2CCCN(S(=O)(=O)c3cnn(C)c3)C2)on1 ZINC000019522793 570995218 /nfs/dbraw/zinc/99/52/18/570995218.db2.gz AFSOVLCCPXKGLK-GFCCVEGCSA-N 0 0 381.458 0.688 40 0 GCABRN Cc1nc(N(C)C)ncc1C(=O)N1CCN(S(=O)(=O)N2CCCCC2)CC1 ZINC000019552719 571002067 /nfs/dbraw/zinc/00/20/67/571002067.db2.gz JBWLNCMVHGFURZ-UHFFFAOYSA-N 0 0 396.517 0.340 40 0 GCABRN Cc1c(S(=O)(=O)N2CCC(c3n[nH]cc3C(=O)N(C)C)CC2)cnn1C ZINC000019553845 571002477 /nfs/dbraw/zinc/00/24/77/571002477.db2.gz MRSAKKHUEKIRBR-UHFFFAOYSA-N 0 0 380.474 0.722 40 0 GCABRN Cc1nc([C@H]2CCCN2C(=O)C2CCN(S(C)(=O)=O)CC2)[nH]c(=O)c1C ZINC000019555444 571003081 /nfs/dbraw/zinc/00/30/81/571003081.db2.gz BMWQZZKQMZOCLD-CQSZACIVSA-N 0 0 382.486 0.722 40 0 GCABRN CS(=O)(=O)N1CCc2c(nc([C@@H]3CCCCN3C(=O)C3CC3)[nH]c2=O)C1 ZINC000019572829 571010580 /nfs/dbraw/zinc/01/05/80/571010580.db2.gz QHMGXTFACZKLGC-AWEZNQCLSA-N 0 0 380.470 0.551 40 0 GCABRN C[C@H](C(=O)NCCc1nc(-c2ccccc2)ncc1C(N)=O)N1CCCC1=O ZINC000019697266 571030204 /nfs/dbraw/zinc/03/02/04/571030204.db2.gz BCBKAMABOULARZ-CYBMUJFWSA-N 0 0 381.436 0.912 40 0 GCABRN CC(C)NC(=O)N1CCN(C(=O)c2cccn2C)C[C@@]2(CC(=O)N(C)C2)C1 ZINC000096036107 571096176 /nfs/dbraw/zinc/09/61/76/571096176.db2.gz VBIKOGVZWNEOJP-IBGZPJMESA-N 0 0 375.473 0.749 40 0 GCABRN Cn1cc(S(=O)(=O)N2CCN3CC(=O)Nc4ccccc4OC[C@H]3C2)cn1 ZINC001772594671 1187031323 /nfs/dbraw/zinc/03/13/23/1187031323.db2.gz JIHCJDGZLWUKPV-CYBMUJFWSA-N 0 0 391.453 0.126 40 0 GCABRN Cc1cc2n(n1)C1(CCN(S(=O)(=O)c3cn(C)c(C)n3)CC1)CC(=O)N2C ZINC001772596198 1187057988 /nfs/dbraw/zinc/05/79/88/1187057988.db2.gz UMDGNVHAEXEOEC-UHFFFAOYSA-N 0 0 392.485 0.780 40 0 GCABRN COc1ccc(-c2nnc(S[C@@H]3CCS(=O)(=O)C3)n(N)c2=O)cc1OC ZINC000217376976 1205698422 /nfs/dbraw/zinc/69/84/22/1205698422.db2.gz UOZKXZAIJVNXFH-SNVBAGLBSA-N 0 0 398.466 0.316 40 0 GCABRN CCN1C[C@@H](C(=O)N2CCc3nc([C@@H]4CCN(C(C)=O)C4)ncc3C2)CC1=O ZINC000019526965 210256891 /nfs/dbraw/zinc/25/68/91/210256891.db2.gz YFMJFFRMSZRANS-CABCVRRESA-N 0 0 385.468 0.566 40 0 GCABRN CCN(CC)S(=O)(=O)NCCc1cc(N2CCN(C)CC2)nc(C2CC2)n1 ZINC000019526473 210256528 /nfs/dbraw/zinc/25/65/28/210256528.db2.gz QEUXRRAPJGNTKO-UHFFFAOYSA-N 0 0 396.561 0.825 40 0 GCABRN CCc1c(C)nc([C@H]2CCCN2C(=O)C2CCN(S(C)(=O)=O)CC2)[nH]c1=O ZINC000019521565 210254037 /nfs/dbraw/zinc/25/40/37/210254037.db2.gz ZVZLVIPSJSGYCX-OAHLLOKOSA-N 0 0 396.513 0.976 40 0 GCABRN Cc1ccc(C2=NN[C@@H]([C@](C)(O)[C@](C)(O)[C@](C)(O)[C@](C)(O)CO)S2)cc1 ZINC000006204416 230843758 /nfs/dbraw/zinc/84/37/58/230843758.db2.gz MMIZAZUVAUSVMY-SFFUCWETSA-N 0 0 384.498 0.315 40 0 GCABRN COC[C@@H](C)NC(=O)CN1CCC(O)(Cn2cnc3ccccc3c2=O)CC1 ZINC000019456620 210251467 /nfs/dbraw/zinc/25/14/67/210251467.db2.gz QKAWKUBPMWMDIY-OAHLLOKOSA-N 0 0 388.468 0.375 40 0 GCABRN NS(=O)(=O)c1ccc(CNC(=O)C(=O)NCc2ccc(Cl)cc2)cc1 ZINC000020768888 230906806 /nfs/dbraw/zinc/90/68/06/230906806.db2.gz FRLAUNZUBKZUBP-UHFFFAOYSA-N 0 0 381.841 0.920 40 0 GCABRN C[C@@H](Cc1ccccn1)NC(=O)[C@@H]1CCCN(S(=O)(=O)c2cnn(C)c2)C1 ZINC000019457009 210251022 /nfs/dbraw/zinc/25/10/22/210251022.db2.gz GBDFGYTWDXMMBV-LSDHHAIUSA-N 0 0 391.497 0.963 40 0 GCABRN COC[C@H](C)NS(=O)(=O)c1ccc(O[C@H](C)C(=O)N2CCOCC2)cc1 ZINC000408610767 231080139 /nfs/dbraw/zinc/08/01/39/231080139.db2.gz VRVUTVLJESVTFH-UONOGXRCSA-N 0 0 386.470 0.626 40 0 GCABRN COCCNS(=O)(=O)c1ccc(OCC(=O)NCc2ccccn2)cc1 ZINC000408610770 231080317 /nfs/dbraw/zinc/08/03/17/231080317.db2.gz VUFKOYFSCWQHRS-UHFFFAOYSA-N 0 0 379.438 0.702 40 0 GCABRN O=C(COc1ccc(/C=c2/sc3n(c2=O)CCN=3)cc1)NC[C@@H]1CCCO1 ZINC000408867249 231123169 /nfs/dbraw/zinc/12/31/69/231123169.db2.gz KUPNBMSOFVHXKD-BMANGOCTSA-N 0 0 387.461 0.046 40 0 GCABRN O=C(c1cscn1)N1CCC[C@H](Cn2cc(C(=O)N3CCOCC3)nn2)C1 ZINC000019292160 210237163 /nfs/dbraw/zinc/23/71/63/210237163.db2.gz GDTBZSOKZABWPB-ZDUSSCGKSA-N 0 0 390.469 0.759 40 0 GCABRN Cc1cccc2c(C[C@@H](C)NC(=O)Cn3cnc4c3c(=O)[nH]c(=O)n4C)c[nH]c21 ZINC000019236631 210232680 /nfs/dbraw/zinc/23/26/80/210232680.db2.gz CMSZIXVNBHKHLL-GFCCVEGCSA-N 0 0 394.435 0.960 40 0 GCABRN COC[C@H](C)NC(=O)CN1CC[C@]2(CCC1=O)NC(=O)c1cc(C)ccc1O2 ZINC000019218789 210231245 /nfs/dbraw/zinc/23/12/45/210231245.db2.gz PJQWYJATTRAOSP-VBKZILBWSA-N 0 0 389.452 0.977 40 0 GCABRN O=C([C@@H]1CCCO1)N1CC[C@H](c2nc3c(c(=O)[nH]2)CCN(C(=O)C2CC2)C3)C1 ZINC000019014483 210222423 /nfs/dbraw/zinc/22/24/23/210222423.db2.gz FZYOPWFPPFIVCC-BBRMVZONSA-N 0 0 386.452 0.972 40 0 GCABRN CC(=O)N1CCC(c2ncc3c(n2)CCN(C(=O)[C@H]2CC(=O)N(C)C2)C3)CC1 ZINC000019016823 210222237 /nfs/dbraw/zinc/22/22/37/210222237.db2.gz BJFDEXKRHAZAEH-HNNXBMFYSA-N 0 0 385.468 0.566 40 0 GCABRN CC1(C)C(=O)NC(=S)N2C(=O)C[C@H](C(=O)Nc3ccc4c(c3)OCCO4)N21 ZINC000016577146 210191313 /nfs/dbraw/zinc/19/13/13/210191313.db2.gz CRMAYBUUZRFYBT-SNVBAGLBSA-N 0 0 390.421 0.819 40 0 GCABRN C[C@H](NS(=O)(=O)c1ccc(Br)cc1)C(=O)N1CCN(C)CC1 ZINC000035060055 530114858 /nfs/dbraw/zinc/11/48/58/530114858.db2.gz YATSUBXUGHXXMZ-NSHDSACASA-N 0 0 390.303 0.890 40 0 GCABRN CCS(=O)(=O)CCN1Cc2ccnn2[C@@H](CCNS(=O)(=O)CC)C1 ZINC000253490293 530115781 /nfs/dbraw/zinc/11/57/81/530115781.db2.gz IBNOKLQJSBFEED-AWEZNQCLSA-N 0 0 378.520 0.004 40 0 GCABRN COc1ccccc1N1C(SCC(=O)N(C)C)=N[C@@H]2CS(=O)(=O)C[C@H]21 ZINC000032639823 530167360 /nfs/dbraw/zinc/16/73/60/530167360.db2.gz ADXQAJNRXXOCJP-DGCLKSJQSA-N 0 0 383.495 0.858 40 0 GCABRN O=S(=O)(NCc1ccco1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000000922640 530305816 /nfs/dbraw/zinc/30/58/16/530305816.db2.gz WBLHCIJKGPBTJF-UHFFFAOYSA-N 0 0 386.451 0.779 40 0 GCABRN O=C1CN([C@@H]2CCS(=O)(=O)C2)c2ccccc2N1[C@@H]1CCS(=O)(=O)C1 ZINC000217342180 530323230 /nfs/dbraw/zinc/32/32/30/530323230.db2.gz ZKEJCZHFVAOYCE-CHWSQXEVSA-N 0 0 384.479 0.214 40 0 GCABRN CC(=O)N[C@@H]1[C@H](O)[C@H](O)[C@H](CO)O[C@@H]1OCc1ccc(Cl)cc1Cl ZINC000004906367 530447133 /nfs/dbraw/zinc/44/71/33/530447133.db2.gz CIHDSPCYFDFWRF-QRTUWBSPSA-N 0 0 380.224 0.454 40 0 GCABRN CC(C)(C)C(=O)Nc1nnc(S(=O)(=O)N2CCC(C(N)=O)CC2)s1 ZINC000225607593 530507532 /nfs/dbraw/zinc/50/75/32/530507532.db2.gz HEQDSKYSDYNOKW-UHFFFAOYSA-N 0 0 375.476 0.409 40 0 GCABRN NS(=O)(=O)c1ccc(CCC(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1 ZINC000025384699 530502471 /nfs/dbraw/zinc/50/24/71/530502471.db2.gz AXGNVTKOKODPHY-UHFFFAOYSA-N 0 0 383.451 0.553 40 0 GCABRN CCN([C@@H]1CS(=O)(=O)C[C@H]1O)S(=O)(=O)c1ccc(Br)cc1 ZINC000575423721 530688546 /nfs/dbraw/zinc/68/85/46/530688546.db2.gz QUZZKAPYKVOOAS-VXGBXAGGSA-N 0 0 398.300 0.618 40 0 GCABRN CCOC(=O)N[C@H]1CS(=O)(=O)C[C@H]1NS(=O)(=O)c1ccc(C)cc1C ZINC000575422376 530688662 /nfs/dbraw/zinc/68/86/62/530688662.db2.gz BMSGCPKUIAWKLL-QWHCGFSZSA-N 0 0 390.483 0.493 40 0 GCABRN CCOC(=O)N[C@H]1CS(=O)(=O)C[C@H]1NS(=O)(=O)c1ccc(Cl)cc1 ZINC000575424037 530688744 /nfs/dbraw/zinc/68/87/44/530688744.db2.gz JPKKXFJIIXJHSZ-NWDGAFQWSA-N 0 0 396.874 0.530 40 0 GCABRN CCOC(=O)N[C@H]1CS(=O)(=O)C[C@H]1NS(=O)(=O)c1ccc(F)cc1 ZINC000575424656 530689120 /nfs/dbraw/zinc/68/91/20/530689120.db2.gz VCGNFSITFHOLNW-NWDGAFQWSA-N 0 0 380.419 0.016 40 0 GCABRN Cc1ccc(Cl)cc1S(=O)(=O)N([C@H]1CS(=O)(=O)C[C@@H]1O)N(C)C ZINC000575426296 530690309 /nfs/dbraw/zinc/69/03/09/530690309.db2.gz QRPUKAJQBVUYNY-RYUDHWBXSA-N 0 0 382.891 0.274 40 0 GCABRN C[C@@H](NC(=O)C1CCN(S(C)(=O)=O)CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000014318919 210115024 /nfs/dbraw/zinc/11/50/24/210115024.db2.gz HZPBKUHEXDJREJ-GFCCVEGCSA-N 0 0 388.511 0.939 40 0 GCABRN CCS(=O)(=O)N1CCC[C@H](C(=O)Nc2ccc(S(N)(=O)=O)cc2)C1 ZINC000010302425 530778130 /nfs/dbraw/zinc/77/81/30/530778130.db2.gz CHLXNBPIHNJHQN-NSHDSACASA-N 0 0 375.472 0.334 40 0 GCABRN C[C@H](NC(=O)[C@H]1CCCN(S(C)(=O)=O)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000044402087 530778527 /nfs/dbraw/zinc/77/85/27/530778527.db2.gz OJZFBNOAGDMBPR-JSGCOSHPSA-N 0 0 388.511 0.939 40 0 GCABRN COc1ccc(S(=O)(=O)N(CCN(C)C)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000244094621 530958730 /nfs/dbraw/zinc/95/87/30/530958730.db2.gz UFSABQMIVCPFFD-CYBMUJFWSA-N 0 0 376.500 0.435 40 0 GCABRN CCOC(=O)N(CCNC(=O)C1CCCCC1)[C@@H]1CS(=O)(=O)C[C@@H]1O ZINC000217368813 530936915 /nfs/dbraw/zinc/93/69/15/530936915.db2.gz SHTDXSWXSHAZDJ-KGLIPLIRSA-N 0 0 376.475 0.299 40 0 GCABRN O=C(NC[C@H]1O[C@H](Cc2cc(CN3CCOCC3)on2)CC[C@@H]1O)C1CC1 ZINC000077263379 291102518 /nfs/dbraw/zinc/10/25/18/291102518.db2.gz ZYVOOPPTBHHSCW-RYQLBKOJSA-N 0 0 379.457 0.484 40 0 biogenic,in-vitro GCABRN NS(=O)(=O)c1ccc(NC(=O)CCN2C(=O)[C@@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3C2=O)cc1 ZINC000005051273 209562793 /nfs/dbraw/zinc/56/27/93/209562793.db2.gz MLGQBKYRTAGSPE-CJXOWJITSA-N 0 0 389.433 0.470 40 0 GCABRN CC(=O)N[C@H](COC(C)=O)[C@H]1OC(C)(C)O[C@H]1[C@@H](COC(C)=O)OC(C)=O ZINC000004990526 209555480 /nfs/dbraw/zinc/55/54/80/209555480.db2.gz KQLKRKAMQRLYLO-FPCVCCKLSA-N 0 0 389.401 0.069 40 0 GCABRN OC[C@@H]1O[C@H](Oc2ccc3cc(Br)ccc3c2)[C@@H](O)[C@@H](O)[C@H]1O ZINC000001081241 209298133 /nfs/dbraw/zinc/29/81/33/209298133.db2.gz NLRXQZJJCPRATR-QXKUPLGCSA-N 0 0 385.210 0.781 40 0 in-vitro GCABRN NS(=O)(=O)c1ccc(NC(=O)C[C@@H]([NH2+]Cc2ccccc2)C(=O)[O-])cc1 ZINC000005258044 212064659 /nfs/dbraw/zinc/06/46/59/212064659.db2.gz KPGBQWSHVNAQQD-OAHLLOKOSA-N 0 0 377.422 0.906 40 0 GCABRN COc1ncccc1CN1Cc2ccnn2[C@H](CNS(=O)(=O)C2CC2)C1 ZINC000306131045 212049005 /nfs/dbraw/zinc/04/90/05/212049005.db2.gz JVHGQKMVORSNBM-OAHLLOKOSA-N 0 0 377.470 0.925 40 0 GCABRN C[C@@H]1CN(c2ncc3c(n2)[C@@]2(CCN(C(=O)c4nc[nH]n4)C2)COC3)C[C@@H](C)O1 ZINC000306123671 212044214 /nfs/dbraw/zinc/04/42/14/212044214.db2.gz ATMTXXKINRXRRW-VLXJIEOASA-N 0 0 399.455 0.522 40 0 GCABRN Cc1cncc(C(=O)N2C[C@@H]3Cn4c(nn(CC5CCC5)c(=O)c4=O)[C@@H]3C2)c1 ZINC000306125010 212045183 /nfs/dbraw/zinc/04/51/83/212045183.db2.gz CELVKJLCKBSDEB-HZPDHXFCSA-N 0 0 381.436 0.778 40 0 GCABRN Cn1cc(C(=O)N2CC[C@]3(C2)CN(C)S(=O)(=O)c2ccccc2O3)cn1 ZINC000306123403 212042162 /nfs/dbraw/zinc/04/21/62/212042162.db2.gz AMCVGVWEKUAYCS-QGZVFWFLSA-N 0 0 376.438 0.718 40 0 GCABRN Cn1c(=O)cc(C(=O)N2CCC[C@](O)(COc3ccccc3)CC2)n(C)c1=O ZINC000257343243 212028105 /nfs/dbraw/zinc/02/81/05/212028105.db2.gz ZSCAKPCMXVRAQP-HXUWFJFHSA-N 0 0 387.436 0.520 40 0 GCABRN CNC(=O)[C@H]1CN(C(=O)c2cnc(N(C)C)nc2)CCN1CCc1ccccc1 ZINC000257325451 212026003 /nfs/dbraw/zinc/02/60/03/212026003.db2.gz WSZFIQHVYPRTAI-GOSISDBHSA-N 0 0 396.495 0.658 40 0 GCABRN COCCN1C[C@H](C(=O)N2CCC(c3n[nH]cc3C(=O)N(C)C)CC2)CC1=O ZINC000257304863 212019387 /nfs/dbraw/zinc/01/93/87/212019387.db2.gz SNLIINVLUSBECS-CQSZACIVSA-N 0 0 391.472 0.312 40 0 GCABRN CO[C@H]1[C@H](COC(C)=O)O[C@@H](n2cnc3c2nc[nH]c3=S)[C@H]1OC(C)=O ZINC000004963113 204097663 /nfs/dbraw/zinc/09/76/63/204097663.db2.gz WXKATFNIWVHVSU-AVNXNWIJSA-N 0 0 382.398 0.896 40 0 GCABRN CCCC(=O)NCCNc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccccc1 ZINC000035291066 204152097 /nfs/dbraw/zinc/15/20/97/204152097.db2.gz KVRARQALBIUHCG-UHFFFAOYSA-N 0 0 398.467 0.810 40 0 GCABRN CCN(CC(=O)NCCCO)S(=O)(=O)c1ccc(Br)cc1 ZINC000006779368 204204803 /nfs/dbraw/zinc/20/48/03/204204803.db2.gz WOWQQPRCDKGBEM-UHFFFAOYSA-N 0 0 379.276 0.958 40 0 GCABRN CO[C@H](C(=O)N1CCc2nc(N3CCOCC3)[nH]c(=O)c2C1)c1ccccc1 ZINC000012113738 204372890 /nfs/dbraw/zinc/37/28/90/204372890.db2.gz IAEWAKJNCSZJQL-KRWDZBQOSA-N 0 0 384.436 0.879 40 0 GCABRN CNC(=O)CN(c1ccccc1)S(=O)(=O)c1ccc2c(c1)n(C)c(=O)n2C ZINC000027914440 209177920 /nfs/dbraw/zinc/17/79/20/209177920.db2.gz OOGXYRUUAVPHKT-UHFFFAOYSA-N 0 0 388.449 0.818 40 0 GCABRN COCCOC(=O)Cn1nc2n(c1=O)-c1cc(Cl)ccc1C1=NCCN21 ZINC000012184235 204379345 /nfs/dbraw/zinc/37/93/45/204379345.db2.gz RMACIULZDZGWKH-UHFFFAOYSA-N 0 0 377.788 0.457 40 0 GCABRN Cn1c2ccc(S(=O)(=O)NC[C@H](O)COc3ccccc3)cc2oc1=O ZINC000012239133 204386204 /nfs/dbraw/zinc/38/62/04/204386204.db2.gz OSRYEYFEYWGLLO-LBPRGKRZSA-N 0 0 378.406 0.850 40 0 GCABRN CNC(=O)c1cnn2c1nccc2C1CCN(C(=O)[C@H]2CCCN2C(C)=O)CC1 ZINC000257275898 212016305 /nfs/dbraw/zinc/01/63/05/212016305.db2.gz NRLHIPDDCJRDFS-QGZVFWFLSA-N 0 0 398.467 0.806 40 0 GCABRN Cc1cn([C@@H]2CN(C(=O)c3ccc4c(c3)ncn4C)CC[C@@]2(C)O)c(=O)[nH]c1=O ZINC000257239129 212008947 /nfs/dbraw/zinc/00/89/47/212008947.db2.gz HOBPEPKIGVBWPX-OXQOHEQNSA-N 0 0 397.435 0.982 40 0 GCABRN CCNS(=O)(=O)c1cc(C(=O)N2CCN(C(=O)OCC)CC2)ccc1OC ZINC000016681770 204597910 /nfs/dbraw/zinc/59/79/10/204597910.db2.gz GEOPQNVNOHOXKL-UHFFFAOYSA-N 0 0 399.469 0.908 40 0 GCABRN CN(CC1(O)CCN(c2ccnc3ccncc32)CC1)C(=O)[C@@H]([NH3+])CC(=O)[O-] ZINC000257214219 212006037 /nfs/dbraw/zinc/00/60/37/212006037.db2.gz CLCVPJMLORGZHA-AWEZNQCLSA-N 0 0 387.440 0.222 40 0 GCABRN Cc1cc(OCC(=O)N2CC[C@@H](O)[C@@H](O)[C@H](N3CCOCC3)C2)ccc1Cl ZINC000257211927 212003545 /nfs/dbraw/zinc/00/35/45/212003545.db2.gz CBCSTJPDGUKWPN-LMMKCTJWSA-N 0 0 398.887 0.682 40 0 GCABRN CC(C)(C)OC(=O)N1CCN(C(=O)c2ccccn2)[C@@H]2CS(=O)(=O)C[C@H]21 ZINC000253495506 211993111 /nfs/dbraw/zinc/99/31/11/211993111.db2.gz GVEXXDUPPZYNII-ZIAGYGMSSA-N 0 0 381.454 0.940 40 0 GCABRN Cn1cnc2cc(C(=O)N3CCN(S(=O)(=O)N4CCCC4)CC3)ccc21 ZINC000019718438 204677292 /nfs/dbraw/zinc/67/72/92/204677292.db2.gz FAMKXKOWBLMEOH-UHFFFAOYSA-N 0 0 377.470 0.672 40 0 GCABRN Cn1nccc1C(=O)N1CCO[C@@H](C(=O)N2CCN(c3ccccc3)CC2)C1 ZINC000019747346 204680395 /nfs/dbraw/zinc/68/03/95/204680395.db2.gz OPMHDLHHYPYQPG-GOSISDBHSA-N 0 0 383.452 0.610 40 0 GCABRN CN(C)S(=O)(=O)N1CCC(C(=O)NC[C@@H]2COc3ccccc3O2)CC1 ZINC000225254422 211888977 /nfs/dbraw/zinc/88/89/77/211888977.db2.gz GJADTEQSSHMWAO-CQSZACIVSA-N 0 0 383.470 0.461 40 0 GCABRN Cc1ccc(S(=O)(=O)NC[C@H]2OC[C@@H](NCc3ccccn3)[C@@H]2O)cc1 ZINC000077264743 205036019 /nfs/dbraw/zinc/03/60/19/205036019.db2.gz OVASXNYRPJEXEX-KURKYZTESA-N 0 0 377.466 0.586 40 0 biogenic,in-vitro GCABRN COC(=O)c1ccc(C(=O)OC)c(NC(=S)N2CCN(CCO)CC2)c1 ZINC000059233564 205178143 /nfs/dbraw/zinc/17/81/43/205178143.db2.gz HUPIJDVOLZLNOF-UHFFFAOYSA-N 0 0 381.454 0.567 40 0 GCABRN O=C(c1cn(C[C@H]2CCCN(C(=O)c3cnccn3)C2)nn1)N1CCOCC1 ZINC000072324220 205324499 /nfs/dbraw/zinc/32/44/99/205324499.db2.gz GBWQBYADAOWQQX-AWEZNQCLSA-N 0 0 385.428 0.093 40 0 GCABRN O=C(CN1Cc2ccccc2C1=O)NCCn1nnn(-c2cccs2)c1=O ZINC000072341035 205327742 /nfs/dbraw/zinc/32/77/42/205327742.db2.gz RFJJAWNVWPLQSY-UHFFFAOYSA-N 0 0 384.421 0.263 40 0 GCABRN O=C(CCn1nnc2ccccc21)NCCn1nnn(-c2cccs2)c1=O ZINC000072341021 205328053 /nfs/dbraw/zinc/32/80/53/205328053.db2.gz DPYLYRPFKRMIEU-UHFFFAOYSA-N 0 0 384.425 0.442 40 0 GCABRN CCN(C)C(=O)c1ncn2c1CN(CC(=O)NC)S(=O)(=O)c1ccccc1-2 ZINC000096147480 205532736 /nfs/dbraw/zinc/53/27/36/205532736.db2.gz XYADOYANJWWIGT-UHFFFAOYSA-N 0 0 391.453 0.215 40 0 GCABRN O=C(C1CCC1)N1CCC2(CC1)O[C@@H](C(=O)N1CCOCC1)Cn1ccnc12 ZINC000096243728 205547637 /nfs/dbraw/zinc/54/76/37/205547637.db2.gz YIZBXOOJGWJYQJ-MRXNPFEDSA-N 0 0 388.468 0.759 40 0 GCABRN COC(CNS(=O)(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)OC ZINC000001330322 205707705 /nfs/dbraw/zinc/70/77/05/205707705.db2.gz QSBWYPLQTKFIJI-UHFFFAOYSA-N 0 0 378.472 0.368 40 0 GCABRN COC(=O)C1CCN(S(=O)(=O)c2nnc(NC(=O)C(C)C)s2)CC1 ZINC000224767157 206027725 /nfs/dbraw/zinc/02/77/25/206027725.db2.gz XDIIBBKHXZSIEU-UHFFFAOYSA-N 0 0 376.460 0.706 40 0 GCABRN O=C1[C@@H]2C[C@@H](O)CN2C2(CN(Cc3ccccn3)C2)C(=O)N1Cc1cccnc1 ZINC000225382596 206043543 /nfs/dbraw/zinc/04/35/43/206043543.db2.gz BGZVKYGFVYSBFP-MSOLQXFVSA-N 0 0 393.447 0.035 40 0 biogenic,in-vitro GCABRN O=C1[C@@H]2C[C@@H](O)CN2C2(CN(Cc3ccncc3)C2)C(=O)N1Cc1ccccc1 ZINC000225382084 206044230 /nfs/dbraw/zinc/04/42/30/206044230.db2.gz LHOXAGUITJHDRJ-MOPGFXCFSA-N 0 0 392.459 0.640 40 0 biogenic,in-vitro GCABRN CC(C)NC(=O)C[C@@H]1C[C@H]2O[C@H](CNC(=O)Nc3cccnc3)[C@@H](O)[C@H]2O1 ZINC000225439807 206046888 /nfs/dbraw/zinc/04/68/88/206046888.db2.gz JLLYMIXLEZBFTM-SZVRAQGESA-N 0 0 378.429 0.404 40 0 biogenic,in-vitro GCABRN CCCNC(=O)NC[C@H]1O[C@@H]2C[C@@H](CC(=O)N3CCC(F)(F)C3)O[C@@H]2[C@@H]1O ZINC000225519339 206054568 /nfs/dbraw/zinc/05/45/68/206054568.db2.gz LJMIROMOIQLMMP-PRSHDEELSA-N 0 0 391.415 0.239 40 0 biogenic,in-vitro GCABRN Cc1nc(SCCNC(=O)c2ccc3c(c2)CCN3S(C)(=O)=O)n[nH]1 ZINC000225842687 206081629 /nfs/dbraw/zinc/08/16/29/206081629.db2.gz DHTCOXLFUXSXBF-UHFFFAOYSA-N 0 0 381.483 0.957 40 0 GCABRN CC(=O)OC(OC(C)=O)[C@]12C=C[C@H](O1)[C@@H]1C(=O)N(Cc3ccccc3)C(=O)[C@@H]12 ZINC000226650506 206098362 /nfs/dbraw/zinc/09/83/62/206098362.db2.gz WJVSUUOYTGGIPB-ZFCANOHDSA-N 0 0 385.372 0.948 40 0 GCABRN CCCCOC(=S)N[C@@H]1OC[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000227027995 206100527 /nfs/dbraw/zinc/10/05/27/206100527.db2.gz JAMUNSUIXBIERM-ZQDZILKHSA-N 0 0 391.442 0.829 40 0 GCABRN CNC(=O)[C@@H]1C(=O)C[C@](C)(O)[C@@H](C(=O)NC)[C@@H]1c1ccc(Br)cc1 ZINC000228702671 206103456 /nfs/dbraw/zinc/10/34/56/206103456.db2.gz VVHUDXYAOJMQET-WBOJAVRRSA-N 0 0 397.269 0.981 40 0 GCABRN Cc1ccc(OC2CCN(C(=O)C3CCN(S(C)(=O)=O)CC3)CC2)nn1 ZINC000096119433 206119680 /nfs/dbraw/zinc/11/96/80/206119680.db2.gz PRBFXDYTHQYKTP-UHFFFAOYSA-N 0 0 382.486 0.826 40 0 GCABRN Cc1ccccc1OCC(=O)N1Cc2cncn2[C@@H](CNS(C)(=O)=O)C1 ZINC000247999175 206135263 /nfs/dbraw/zinc/13/52/63/206135263.db2.gz CJVMGSUITKFJCT-HNNXBMFYSA-N 0 0 378.454 0.703 40 0 GCABRN Cn1nccc1C(=O)N1CC2(C1)[C@@H](COc1ccccn1)CCS2(=O)=O ZINC000248031076 206136450 /nfs/dbraw/zinc/13/64/50/206136450.db2.gz LIWOCKIRGZLJJO-CYBMUJFWSA-N 0 0 376.438 0.523 40 0 GCABRN Cc1nc2ccccc2n1CCC(=O)N1C[C@@H](O)[C@H](n2cc(C)c(=O)[nH]c2=O)C1 ZINC000257211303 206158787 /nfs/dbraw/zinc/15/87/87/206158787.db2.gz BYJZCBGUBJVLDB-IAGOWNOFSA-N 0 0 397.435 0.750 40 0 GCABRN Cc1nc2c(c(Nc3cnccn3)n1)CCN(S(=O)(=O)c1cn(C)cn1)C2 ZINC000257226178 206162167 /nfs/dbraw/zinc/16/21/67/206162167.db2.gz FJMADPCVMRPVCB-UHFFFAOYSA-N 0 0 386.441 0.799 40 0 GCABRN Nc1ncc(-c2cccc([C@H]3CN(C(=O)CCN4CCOCC4)CCO3)n2)cn1 ZINC000257280251 206171087 /nfs/dbraw/zinc/17/10/87/206171087.db2.gz OKBZOMWRYNUSBA-GOSISDBHSA-N 0 0 398.467 0.743 40 0 GCABRN CNc1ncnc2c1ncn2[C@@H]1CC[C@@H](NC(=O)c2ncoc2C)[C@@H](O)[C@@H]1O ZINC000257279665 206171988 /nfs/dbraw/zinc/17/19/88/206171988.db2.gz OHQLNDXVLREBNA-DMTCVQMQSA-N 0 0 387.400 0.020 40 0 GCABRN Cc1nc2ccccc2n1CC(=O)N[C@@H]1CCC[C@@H](N2CCNC(=O)C2)[C@@H]1O ZINC000257316854 206177659 /nfs/dbraw/zinc/17/76/59/206177659.db2.gz VHHGMCJNEVLGGN-WRWLIDTKSA-N 0 0 385.468 0.175 40 0 GCABRN CN1CCN(C(=O)C2CCN(c3ccc(C(F)(F)F)cn3)CC2)C[C@@H]1C(N)=O ZINC000257242110 206164741 /nfs/dbraw/zinc/16/47/41/206164741.db2.gz IBDRMSKSGYNMOZ-CQSZACIVSA-N 0 0 399.417 0.945 40 0 GCABRN COc1cccc([C@H]2C[C@@](O)(CNC(=O)c3cn(C)cn3)[C@H](O)[C@@H](C)O2)c1 ZINC000257272628 206170402 /nfs/dbraw/zinc/17/04/02/206170402.db2.gz NDDXNRRNFNWHEX-MYFFOXHASA-N 0 0 375.425 0.801 40 0 GCABRN C[C@@H]1CCCN(C(=O)c2nnc3n2CC2(CCN(S(C)(=O)=O)CC2)OC3)C1 ZINC000306140632 206204751 /nfs/dbraw/zinc/20/47/51/206204751.db2.gz UZGUFBFKFWOBCR-CYBMUJFWSA-N 0 0 397.501 0.475 40 0 GCABRN O=C([C@@H]1CCCS1(=O)=O)N1CC[C@@]2(C1)COCc1cnc(NC3CC3)nc12 ZINC000306138264 206205029 /nfs/dbraw/zinc/20/50/29/206205029.db2.gz RTTKVNNCKBFNSF-KBXCAEBGSA-N 0 0 392.481 0.628 40 0 GCABRN CN(C)C(=O)[C@H]1Cc2c(ncnc2-c2cnn(C)c2)CCN(C(=O)N(C)C)C1 ZINC000306143967 206206741 /nfs/dbraw/zinc/20/67/41/206206741.db2.gz YSABQMCKEJCPHD-ZDUSSCGKSA-N 0 0 385.472 0.664 40 0 GCABRN CN(C)C(=O)[C@@H]1Cc2c(ncnc2-c2cnn(C)c2)CCN(C(=O)N(C)C)C1 ZINC000306143966 206206837 /nfs/dbraw/zinc/20/68/37/206206837.db2.gz YSABQMCKEJCPHD-CYBMUJFWSA-N 0 0 385.472 0.664 40 0 GCABRN Cn1cnc(S(=O)(=O)N2CC3(C2)CC[C@H](CNc2ncccn2)CO3)c1 ZINC000306125018 206196153 /nfs/dbraw/zinc/19/61/53/206196153.db2.gz CESZXUGQLCXUTB-CYBMUJFWSA-N 0 0 378.458 0.492 40 0 GCABRN CC(=O)N1C[C@H]2[C@H](C1)CN(C)C(=O)c1c(C(=O)NCc3ccccc3)ncn12 ZINC000306128358 206199118 /nfs/dbraw/zinc/19/91/18/206199118.db2.gz GYNGQUAANFXZAB-HOTGVXAUSA-N 0 0 381.436 0.918 40 0 GCABRN Cc1ccnc(OC[C@@H]2CCS(=O)(=O)C23CN(C(=O)c2cnccn2)C3)n1 ZINC000306130899 206200736 /nfs/dbraw/zinc/20/07/36/206200736.db2.gz JSGLUIMYIKZHQR-ZDUSSCGKSA-N 0 0 389.437 0.283 40 0 GCABRN O=C(c1ccco1)N1CC[C@@]2(C1)Cn1c(=O)c(=O)n(CC3CCC3)nc1CO2 ZINC000306135065 206202327 /nfs/dbraw/zinc/20/23/27/206202327.db2.gz OGNFYDPYTCGJHL-LJQANCHMSA-N 0 0 386.408 0.613 40 0 GCABRN O=S(=O)(NC[C@@H]1CCC2(CN(c3ccc4nncn4n3)C2)OC1)C1CC1 ZINC000306133888 206202652 /nfs/dbraw/zinc/20/26/52/206202652.db2.gz MYONUCVLEIWMOK-LBPRGKRZSA-N 0 0 378.458 0.192 40 0 GCABRN Cn1nccc1C(=O)N1CC[C@@]2(C1)CCn1ncnc1[C@H]2NC(=O)C1CCC1 ZINC000306137356 206202986 /nfs/dbraw/zinc/20/29/86/206202986.db2.gz QUDMGHBFOAAHMO-BEFAXECRSA-N 0 0 383.456 0.905 40 0 GCABRN O=C(c1cnccn1)N1CC[C@H](c2nc3ccc(N4CCOCC4)cn3n2)C1 ZINC000306136240 206203207 /nfs/dbraw/zinc/20/32/07/206203207.db2.gz PNQIHZOLTWNHSG-AWEZNQCLSA-N 0 0 379.424 0.986 40 0 GCABRN OC[C@@H]1O[C@H](n2cnc3c2ncnc3Nc2ccccc2Cl)[C@@H](O)[C@@H]1O ZINC000005515035 211623959 /nfs/dbraw/zinc/62/39/59/211623959.db2.gz ONONMLMFXBFTIS-GXCBOPRBSA-N 0 0 377.788 0.835 40 0 GCABRN CCCCNS(=O)(=O)c1ccc(S(=O)(=O)NCC(OC)OC)cc1 ZINC000004935674 211554884 /nfs/dbraw/zinc/55/48/84/211554884.db2.gz AFVMGCZSVLKSAP-UHFFFAOYSA-N 0 0 380.488 0.662 40 0 GCABRN COCCC(=O)N1C[C@H]2C[C@@H](C1)Cn1c2ccc(NC(=O)CN(C)C)c1=O ZINC000004277715 211541210 /nfs/dbraw/zinc/54/12/10/211541210.db2.gz LCYBHALAVBZOFH-UONOGXRCSA-N 0 0 376.457 0.331 40 0 biogenic,in-vitro GCABRN Cn1c(SCC(=O)Nc2cccc(F)c2)nc2c1c(=O)n(C)c(=O)n2C ZINC000001222730 211501593 /nfs/dbraw/zinc/50/15/93/211501593.db2.gz LTCCNQIHROZZDT-UHFFFAOYSA-N 0 0 377.401 0.841 40 0 GCABRN CCOc1ccc(N([C@H](C)C(=O)N2CCC(C(N)=O)CC2)S(C)(=O)=O)cc1 ZINC000000793281 211489845 /nfs/dbraw/zinc/48/98/45/211489845.db2.gz PGTKOOCZFGRATD-CYBMUJFWSA-N 0 0 397.497 0.964 40 0 GCABRN O=C(NC[C@@H]1CCCO1)c1nn(-c2ccccn2)c2c1CS(=O)(=O)CC2 ZINC000041070354 211392094 /nfs/dbraw/zinc/39/20/94/211392094.db2.gz ANJAKRLBKUJRDS-LBPRGKRZSA-N 0 0 376.438 0.647 40 0 GCABRN CCCS(=O)(=O)N1CCC2(CC1)[C@@H]1CN(c3ncccn3)C[C@@H]1C(=O)N2C ZINC000096262238 211327354 /nfs/dbraw/zinc/32/73/54/211327354.db2.gz JNCBRMFRHBNNRK-LSDHHAIUSA-N 0 0 393.513 0.575 40 0 GCABRN Cc1cnc(C(=O)N2CCC3(CC2)NC(=O)[C@H]2CN(c4ncccn4)C[C@H]23)cn1 ZINC000096262195 211327003 /nfs/dbraw/zinc/32/70/03/211327003.db2.gz MQCMIVHLRSVBKF-LSDHHAIUSA-N 0 0 393.451 0.432 40 0 GCABRN CC(C)NC(=O)[C@@H]1Cn2ccnc2C2(CCN(S(=O)(=O)C3CC3)CC2)O1 ZINC000096243677 211324976 /nfs/dbraw/zinc/32/49/76/211324976.db2.gz JTKKZVXPSQJYBS-AWEZNQCLSA-N 0 0 382.486 0.590 40 0 GCABRN COCCN1C[C@@H]2c3nc(NCc4ccccn4)ncc3CS(=O)(=O)[C@@H]2C1 ZINC000096252112 211325101 /nfs/dbraw/zinc/32/51/01/211325101.db2.gz KCPYUBNNSRXXJC-JKSUJKDBSA-N 0 0 389.481 0.826 40 0 GCABRN O=C([C@@H]1CCS(=O)(=O)[C@@H]2CN(Cc3ccccc3)C[C@@H]21)N1CCOCC1 ZINC000096251020 211324838 /nfs/dbraw/zinc/32/48/38/211324838.db2.gz ZDGFSFCWZUTNSV-KZNAEPCWSA-N 0 0 378.494 0.781 40 0 GCABRN COc1ccc(CC(=O)N2CCN(C(=O)N(C)C)C[C@@]3(CNC(=O)C3)C2)cc1 ZINC000096143341 211308667 /nfs/dbraw/zinc/30/86/67/211308667.db2.gz VHYWBRSIVTXUCU-FQEVSTJZSA-N 0 0 388.468 0.570 40 0 GCABRN CS(=O)(=O)N1CCN(C(=O)c2cccc(Cl)c2)C[C@@]2(CNC(=O)C2)C1 ZINC000096143305 211308574 /nfs/dbraw/zinc/30/85/74/211308574.db2.gz RSMAPOZIKCZXDV-MRXNPFEDSA-N 0 0 385.873 0.564 40 0 GCABRN C[C@@H]1CCCC[C@H]1NC(=O)Cn1c2ccccc2n2c1nn(CC(N)=O)c2=O ZINC000072347015 211095250 /nfs/dbraw/zinc/09/52/50/211095250.db2.gz ZATVNBZASWPHGI-CHWSQXEVSA-N 0 0 384.440 0.631 40 0 GCABRN COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CCC(C(N)=O)CC2)cc1OC ZINC000409393775 533064456 /nfs/dbraw/zinc/06/44/56/533064456.db2.gz XZOXLMVMRXYGHP-NSHDSACASA-N 0 0 399.469 0.095 40 0 GCABRN CCS(=O)(=O)N1CCC(C(=O)NCc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000020032244 210311964 /nfs/dbraw/zinc/31/19/64/210311964.db2.gz KLCAFBPEDISHEG-UHFFFAOYSA-N 0 0 389.499 0.012 40 0 GCABRN Cc1cccc(CS(=O)(=O)N2CCC(C(=O)N3CCN(C=O)CC3)CC2)c1 ZINC000019867829 210304619 /nfs/dbraw/zinc/30/46/19/210304619.db2.gz MGDDFZWJERMKOK-UHFFFAOYSA-N 0 0 393.509 0.837 40 0 GCABRN Cc1ccccc1CS(=O)(=O)N1CCC(C(=O)N2CCN(C=O)CC2)CC1 ZINC000019867737 210304034 /nfs/dbraw/zinc/30/40/34/210304034.db2.gz ZKPLDEDPKBFSHQ-UHFFFAOYSA-N 0 0 393.509 0.837 40 0 GCABRN CCS(=O)(=O)N1CCc2c(nc([C@@H]3CCCN(C(C)=O)C3)nc2NC)C1 ZINC000019752838 210292563 /nfs/dbraw/zinc/29/25/63/210292563.db2.gz GSHGXGSGKJLJFI-CYBMUJFWSA-N 0 0 381.502 0.952 40 0 GCABRN COc1ccc(S(=O)(=O)N2CCN(C(=O)CC[C@H]3CCC(=O)N3)CC2)cc1 ZINC000019660182 210276541 /nfs/dbraw/zinc/27/65/41/210276541.db2.gz XKTXIWNTSNYLAU-CQSZACIVSA-N 0 0 395.481 0.587 40 0 GCABRN CN(C)C(=O)[C@H]1CN(S(C)(=O)=O)C[C@@H]1c1ccnc(N2CCCCC2)n1 ZINC000019581343 210270630 /nfs/dbraw/zinc/27/06/30/210270630.db2.gz IDSPCOPWNNAXFO-KBPBESRZSA-N 0 0 381.502 0.530 40 0 GCABRN COc1ccc(N2C[C@H](C(=O)N3CCN(CC(=O)N(C)C)CC3)CC2=O)cc1 ZINC000019581232 210270244 /nfs/dbraw/zinc/27/02/44/210270244.db2.gz CWAZSBFHDBCGKL-OAHLLOKOSA-N 0 0 388.468 0.281 40 0 GCABRN CS(=O)(=O)N1CCc2nc([C@H]3CCN(C(=O)C4CCC4)C3)[nH]c(=O)c2C1 ZINC000019572752 210268881 /nfs/dbraw/zinc/26/88/81/210268881.db2.gz VWIYZGCUMKTJFX-LBPRGKRZSA-N 0 0 380.470 0.204 40 0 GCABRN O=c1[nH]cnc2c1nc(SCc1ccccc1)n2[C@@H]1O[C@@H](CO)[C@@H](O)[C@H]1O ZINC000008670108 221048699 /nfs/dbraw/zinc/04/86/99/221048699.db2.gz CNMCFXDTJZNDME-MZXFEWSRSA-N 0 0 390.421 0.023 40 0 GCABRN CS(=O)(=O)c1cnc2ncnn2c1[C@@H]1CCCN(C(=O)[C@@H]2CCCO2)C1 ZINC000012118925 221152961 /nfs/dbraw/zinc/15/29/61/221152961.db2.gz AUJAEBIVYMRTQN-NEPJUHHUSA-N 0 0 379.442 0.413 40 0 GCABRN CS(=O)(=O)c1cnc2ncnn2c1[C@@H]1CCCN(C(=O)c2cccnc2)C1 ZINC000012118907 221153520 /nfs/dbraw/zinc/15/35/20/221153520.db2.gz AKNTWPPUWYGGBV-CYBMUJFWSA-N 0 0 386.437 0.943 40 0 GCABRN C[C@@H](C(=O)NC[C@@H]1CCCO1)N(c1ccc2c(c1)OCCO2)S(C)(=O)=O ZINC000408704614 533271196 /nfs/dbraw/zinc/27/11/96/533271196.db2.gz QOJULVVEMVXUMF-JSGCOSHPSA-N 0 0 384.454 0.908 40 0 GCABRN CS(=O)(=O)N(CC(=O)NCCCO)Cc1ccc(Br)cc1 ZINC000408606274 533377339 /nfs/dbraw/zinc/37/73/39/533377339.db2.gz HZYDCMSYJMYEBA-UHFFFAOYSA-N 0 0 379.276 0.709 40 0 GCABRN O=c1[nH]c(N2CCCC2)nc2c1CCN(Cc1ccnc(N3CCOCC3)n1)C2 ZINC000072348192 136169071 /nfs/dbraw/zinc/16/90/71/136169071.db2.gz CEBRUOIOHCTGRH-UHFFFAOYSA-N 0 0 397.483 0.555 40 0 GCABRN CC(=O)N1CC(=O)N(c2ccccc2)C[C@@]12CCN(S(=O)(=O)C1CC1)C2 ZINC000096077229 136183435 /nfs/dbraw/zinc/18/34/35/136183435.db2.gz ZAWGPOLNWPEOCL-SFHVURJKSA-N 0 0 377.466 0.818 40 0 GCABRN CN(C)C(=O)[C@]12CN(S(=O)(=O)C3CC3)C[C@H]1N(c1ncccn1)CCC2 ZINC000096251173 136185669 /nfs/dbraw/zinc/18/56/69/136185669.db2.gz VXWGMQBQTWZMQN-RHSMWYFYSA-N 0 0 379.486 0.328 40 0 GCABRN COC(=O)[C@@H]1CN(C(=O)[C@@H]2CCCN(S(C)(=O)=O)C2)c2ccccc2O1 ZINC000222557789 136204867 /nfs/dbraw/zinc/20/48/67/136204867.db2.gz XSAAIZSBBFIVNW-DOMZBBRYSA-N 0 0 382.438 0.625 40 0 GCABRN CN(C)c1cccc2c1cccc2S(=O)(=O)n1cnc2c1[nH]c(=O)[nH]c2=O ZINC000005611281 517916519 /nfs/dbraw/zinc/91/65/19/517916519.db2.gz WTDCSQNCPOGRFJ-UHFFFAOYSA-N 0 0 385.405 0.869 40 0 GCABRN CC(=O)OC(OC(C)=O)[C@@]12C=C[C@@H](O1)[C@@H]1C(=O)N(Cc3ccccn3)C(=O)[C@@H]12 ZINC000409277300 527110668 /nfs/dbraw/zinc/11/06/68/527110668.db2.gz AOYCYMOMLKBUFN-GJRWTSMGSA-N 0 0 386.360 0.343 40 0 GCABRN CC(=O)OC(OC(C)=O)[C@@]12C=C[C@@H](O1)[C@@H]1C(=O)N(Cc3ccco3)C(=O)[C@@H]12 ZINC000409287589 527111097 /nfs/dbraw/zinc/11/10/97/527111097.db2.gz WYAXTVOEWSIHGZ-NPSOMJIGSA-N 0 0 375.333 0.541 40 0 GCABRN CCN(CC)S(=O)(=O)c1ccc(OCC(=O)NCCN2CCOCC2)cc1 ZINC000408620926 528223126 /nfs/dbraw/zinc/22/31/26/528223126.db2.gz KKYFMVGMGHXUSP-UHFFFAOYSA-N 0 0 399.513 0.544 40 0 GCABRN CCN1CCN(C(=O)COc2ccc(S(=O)(=O)NCCOC)cc2)CC1 ZINC000408611527 529125170 /nfs/dbraw/zinc/12/51/70/529125170.db2.gz XIPNZUCGMKGVKE-UHFFFAOYSA-N 0 0 385.486 0.154 40 0 GCABRN CCCCS(=O)(=O)N(C)CC(=O)Nc1c(C)nc(N2CCOCC2)nc1C ZINC000224306788 535329297 /nfs/dbraw/zinc/32/92/97/535329297.db2.gz JPUFKNALQATVAS-UHFFFAOYSA-N 0 0 399.517 0.930 40 0 GCABRN O=S(=O)(c1cccc(F)c1)N1C[C@H]2NS(=O)(=O)c3cccnc3O[C@H]2C1 ZINC000514290290 560029620 /nfs/dbraw/zinc/02/96/20/560029620.db2.gz XDSYDFYYNMBCTH-OLZOCXBDSA-N 0 0 399.425 0.333 40 0 biogenic,in-vitro GCABRN COCCNC(=O)C[C@@H]1C[C@H]2O[C@H](CNC(=O)Nc3cccs3)[C@@H](O)[C@H]2O1 ZINC000225516575 560042200 /nfs/dbraw/zinc/04/22/00/560042200.db2.gz MNQGQIVEWBGAKO-TVJKQAJBSA-N 0 0 399.469 0.308 40 0 biogenic,in-vitro GCABRN O=C1[C@@H]2C[C@@H](O)CN2C2(CN(Cc3cccnc3)C2)C(=O)N1Cc1ccccc1 ZINC000225382038 560044141 /nfs/dbraw/zinc/04/41/41/560044141.db2.gz AHUSDWJRGKFUMC-MOPGFXCFSA-N 0 0 392.459 0.640 40 0 biogenic,in-vitro GCABRN COc1ccc(CN2C(=O)[C@@H]3C[C@@H](O)CN3C3(CN(C4CCC4)C3)C2=O)cc1 ZINC000225383685 560044151 /nfs/dbraw/zinc/04/41/51/560044151.db2.gz WSSLYTYEZXNGOR-AEFFLSMTSA-N 0 0 385.464 0.606 40 0 biogenic,in-vitro GCABRN CC(C)NC(=O)NC[C@H]1O[C@@H](CC(=O)N(C)Cc2ccccc2)[C@H](O)[C@@H]1O ZINC000012603590 560213313 /nfs/dbraw/zinc/21/33/13/560213313.db2.gz YGQKPGLFAFIPKD-CIRFHOKZSA-N 0 0 379.457 0.232 40 0 biogenic,in-vitro GCABRN CCCS(=O)(=O)N1CCC2(CC1)NC(=O)[C@H]1CN(c3ncccn3)C[C@H]12 ZINC000096143523 570213420 /nfs/dbraw/zinc/21/34/20/570213420.db2.gz TYRMOHJQCHNEFV-UONOGXRCSA-N 0 0 379.486 0.233 40 0 GCABRN O=C(NC[C@@H]1CCCO1)C1=NO[C@@]2(CCN(S(=O)(=O)c3cccs3)C2)C1 ZINC000096225632 570220392 /nfs/dbraw/zinc/22/03/92/570220392.db2.gz REKMWJZNLWANDN-LRDDRELGSA-N 0 0 399.494 0.953 40 0 GCABRN CS(=O)(=O)N1CCC[C@]2(C(=O)NCC3CC3)CN(c3ncccn3)C[C@@H]2C1 ZINC000096251385 570224707 /nfs/dbraw/zinc/22/47/07/570224707.db2.gz BDTUQXWAGDUXBO-QAPCUYQASA-N 0 0 393.513 0.481 40 0 GCABRN CCN1CC[C@]2(CN(C(=O)N(C)C)CC23CCN(S(C)(=O)=O)CC3)C1=O ZINC000096262696 570226657 /nfs/dbraw/zinc/22/66/57/570226657.db2.gz IVKUIOXYHBIADX-KRWDZBQOSA-N 0 0 386.518 0.264 40 0 GCABRN CC(C)CCN1C[C@@]23CN(C(=O)c4cnccn4)C[C@@H](C[C@@H]2S1(=O)=O)O3 ZINC000096264063 570226853 /nfs/dbraw/zinc/22/68/53/570226853.db2.gz VOTYAPRARWPIKG-KMFMINBZSA-N 0 0 380.470 0.520 40 0 GCABRN CCNC(=O)c1ncn2c1CN(CC(=O)N(C)C)S(=O)(=O)c1ccccc1-2 ZINC000096266272 570227348 /nfs/dbraw/zinc/22/73/48/570227348.db2.gz CLIHEMLGUYBJNW-UHFFFAOYSA-N 0 0 391.453 0.215 40 0 GCABRN Cn1c2nc(NC[C@@H]3CCCO3)n(CC(=O)c3ccccc3)c2c(=O)[nH]c1=O ZINC000096306417 570228545 /nfs/dbraw/zinc/22/85/45/570228545.db2.gz QCXYYDHRIPICNX-ZDUSSCGKSA-N 0 0 383.408 0.897 40 0 GCABRN Cn1cnc(C(=O)N2CCO[C@](COc3ccc(F)cc3)(CC(N)=O)C2)c1 ZINC000585282893 570250769 /nfs/dbraw/zinc/25/07/69/570250769.db2.gz IXOZYFVCYVDHBH-GOSISDBHSA-N 0 0 376.388 0.725 40 0 GCABRN NC(=O)C[C@@]1(COc2ccc(Cl)cc2)CN(C(=O)Cn2cncn2)CCO1 ZINC000585282750 570250828 /nfs/dbraw/zinc/25/08/28/570250828.db2.gz AIVCEWKARSTGAZ-KRWDZBQOSA-N 0 0 393.831 0.484 40 0 GCABRN O=C(c1ccccc1)N1CC[C@H](O)[C@@](O)(CN2CCN(c3ccccn3)CC2)C1 ZINC000585283856 570251587 /nfs/dbraw/zinc/25/15/87/570251587.db2.gz IHJIXMDZRPMDKR-SIKLNZKXSA-N 0 0 396.491 0.842 40 0 GCABRN [NH3+][C@@H](CCC(=O)[O-])C(=O)N1CCC[C@@]2(C[C@@H](O)[C@H](c3ccccc3)NC2=O)C1 ZINC000585285363 570254785 /nfs/dbraw/zinc/25/47/85/570254785.db2.gz OSJWHNIRZLTCPV-NVALYEJGSA-N 0 0 389.452 0.409 40 0 GCABRN NC(=O)C[C@]1(COc2ccc(F)cc2)CN(C(=O)CN2CCOCC2)CCO1 ZINC000585285497 570254957 /nfs/dbraw/zinc/25/49/57/570254957.db2.gz YYOIDNRLQSJDDQ-LJQANCHMSA-N 0 0 395.431 0.010 40 0 GCABRN NS(=O)(=O)c1ccc(N[C@@H](O)CSc2nnnn2-c2ccccc2)cc1 ZINC000020530610 570265309 /nfs/dbraw/zinc/26/53/09/570265309.db2.gz DHCKUNRQPYEDRJ-AWEZNQCLSA-N 0 0 392.466 0.832 40 0 GCABRN CC(=O)N1C[C@@H]([NH2+][C@H](Cc2c[nH]cn2)C(=O)[O-])C(c2ccc(N(C)C)cc2)=N1 ZINC000005631794 570272247 /nfs/dbraw/zinc/27/22/47/570272247.db2.gz JWWXOYVUAOFRDC-IAGOWNOFSA-N 0 0 384.440 0.696 40 0 GCABRN COCCNC(=O)C(=O)NCc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000020768854 570282038 /nfs/dbraw/zinc/28/20/38/570282038.db2.gz GJNYCBPUEWJPLS-UHFFFAOYSA-N 0 0 383.470 0.240 40 0 GCABRN CN(C)S(=O)(=O)c1ccc(CNC(=O)C(=O)NCc2ccncc2)cc1 ZINC000020769042 570282065 /nfs/dbraw/zinc/28/20/65/570282065.db2.gz BPSBIZJXNOPYMS-UHFFFAOYSA-N 0 0 376.438 0.265 40 0 GCABRN CCOC(=O)C1(C(F)(F)F)N=C(N2CCOCC2)OC(N2CCOCC2)=N1 ZINC000002482478 570288196 /nfs/dbraw/zinc/28/81/96/570288196.db2.gz VNSOJTIRXZNCDI-UHFFFAOYSA-N 0 0 394.350 0.215 40 0 GCABRN COc1ccc(C(=O)NCCN2CCOCC2)cc1S(=O)(=O)N1CCCC1 ZINC000021874023 570298171 /nfs/dbraw/zinc/29/81/71/570298171.db2.gz BQPQGOLOLQDMKM-UHFFFAOYSA-N 0 0 397.497 0.542 40 0 GCABRN CC[C@H](C)NC(=O)C(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000022229489 570308056 /nfs/dbraw/zinc/30/80/56/570308056.db2.gz SRUMOXJXJZONNM-ZDUSSCGKSA-N 0 0 383.470 0.238 40 0 GCABRN CC(C)(C)NC(=O)C(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000022228111 570308062 /nfs/dbraw/zinc/30/80/62/570308062.db2.gz SJQGNJZAHKUENE-UHFFFAOYSA-N 0 0 383.470 0.238 40 0 GCABRN COc1ccc(C)c(S(=O)(=O)N2CCC[C@@H]2C(=O)N2CCN(C)CC2)c1 ZINC000022230047 570308434 /nfs/dbraw/zinc/30/84/34/570308434.db2.gz NAOVEMCILXYZIH-MRXNPFEDSA-N 0 0 381.498 0.931 40 0 GCABRN CC(=O)OC1[C@H](OC(C)=O)C(=O)N(c2ccccc2F)C(=O)[C@H]1OC(C)=O ZINC000028539546 570309704 /nfs/dbraw/zinc/30/97/04/570309704.db2.gz MOIDFPMKXOENDU-GJZGRUSLSA-N 0 0 381.312 0.494 40 0 GCABRN CCCNC(=O)C[C@@H]1C[C@H]2O[C@H](CNC(=O)NCc3ccccc3)[C@@H](O)[C@H]2O1 ZINC000604381044 570352399 /nfs/dbraw/zinc/35/23/99/570352399.db2.gz CPKBFKVRSIREEE-SGFSRKTBSA-N 0 0 391.468 0.688 40 0 biogenic,in-vitro GCABRN CC[C@@H](C)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]([C@@H](C)O)N[C@@]21C(=O)Nc2ccc(F)cc21 ZINC000035375412 570363872 /nfs/dbraw/zinc/36/38/72/570363872.db2.gz IXUGXRFAPZBLMB-UVRGCKFOSA-N 0 0 375.400 0.725 40 0 GCABRN CCOc1ccc(S(=O)(=O)N[C@H](C)C(=O)NCCN2CCOCC2)cc1C ZINC000408621496 570370673 /nfs/dbraw/zinc/37/06/73/570370673.db2.gz LKKVAUAGHMCRLC-OAHLLOKOSA-N 0 0 399.513 0.509 40 0 GCABRN CCOc1ccc(N(CC(=O)NCCCN2CCOCC2)S(C)(=O)=O)cc1 ZINC000408630375 570384626 /nfs/dbraw/zinc/38/46/26/570384626.db2.gz SQVALDHFQHBXIX-UHFFFAOYSA-N 0 0 399.513 0.690 40 0 GCABRN C[C@H](C(=O)NCCCN1CCOCC1)N(c1ccccc1F)S(C)(=O)=O ZINC000220311551 570384863 /nfs/dbraw/zinc/38/48/63/570384863.db2.gz NZHSVLQIEHYEFK-CQSZACIVSA-N 0 0 387.477 0.819 40 0 GCABRN CC[C@@H](C(=O)NCCN1CCOCC1)N(c1cccc(C)c1)S(C)(=O)=O ZINC000220513283 570387760 /nfs/dbraw/zinc/38/77/60/570387760.db2.gz SEXMSNBBZAGDDP-KRWDZBQOSA-N 0 0 383.514 0.988 40 0 GCABRN CC[C@H](C(=O)NCCN1CCOCC1)N(c1cccc(C)c1)S(C)(=O)=O ZINC000220513347 570387766 /nfs/dbraw/zinc/38/77/66/570387766.db2.gz SEXMSNBBZAGDDP-QGZVFWFLSA-N 0 0 383.514 0.988 40 0 GCABRN COCCNC(=O)c1ccccc1NC(=O)C1CCN(S(C)(=O)=O)CC1 ZINC000025167477 570407632 /nfs/dbraw/zinc/40/76/32/570407632.db2.gz MBFVBUBODKKAQI-UHFFFAOYSA-N 0 0 383.470 0.673 40 0 GCABRN COc1ccccc1N(CCCC(=O)NCCN1CCOCC1)S(C)(=O)=O ZINC000222583005 570415523 /nfs/dbraw/zinc/41/55/23/570415523.db2.gz RGBDANCHQRVLPT-UHFFFAOYSA-N 0 0 399.513 0.690 40 0 GCABRN COc1cccc(N(CCCC(=O)NCCN2CCOCC2)S(C)(=O)=O)c1 ZINC000222593687 570415993 /nfs/dbraw/zinc/41/59/93/570415993.db2.gz CLSOKWJDMFIGAE-UHFFFAOYSA-N 0 0 399.513 0.690 40 0 GCABRN CC(C)NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(-n3cnnn3)cc2)C1 ZINC000004861054 570421622 /nfs/dbraw/zinc/42/16/22/570421622.db2.gz LLVYFMTYXDPIPT-ZDUSSCGKSA-N 0 0 378.458 0.588 40 0 GCABRN CC(=O)N[C@@H](COC(C)=O)[C@H]1OC(C)(C)O[C@H]1[C@@H](COC(C)=O)OC(C)=O ZINC000004990524 570421983 /nfs/dbraw/zinc/42/19/83/570421983.db2.gz KQLKRKAMQRLYLO-JJXSEGSLSA-N 0 0 389.401 0.069 40 0 GCABRN Cc1cc(S(=O)(=O)N(C)C)ccc1OCC(=O)NCCSc1nc[nH]n1 ZINC000222813939 570427024 /nfs/dbraw/zinc/42/70/24/570427024.db2.gz RRIJMIKVUNJRHE-UHFFFAOYSA-N 0 0 399.498 0.651 40 0 GCABRN COc1ccc(NC(=O)C(=O)NCc2ccc(S(N)(=O)=O)cc2)c(OC)c1 ZINC000038719093 570427589 /nfs/dbraw/zinc/42/75/89/570427589.db2.gz WAHFWNXNNSTCPH-UHFFFAOYSA-N 0 0 393.421 0.606 40 0 GCABRN COc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)N1CCOCC1 ZINC000038758517 570428976 /nfs/dbraw/zinc/42/89/76/570428976.db2.gz BYXNOBAQMWEHHV-UHFFFAOYSA-N 0 0 383.470 0.104 40 0 GCABRN CCCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CN(C)S(C)(=O)=O ZINC000222892180 570430426 /nfs/dbraw/zinc/43/04/26/570430426.db2.gz BSFICBGMOWDCPL-ZDUSSCGKSA-N 0 0 387.477 0.960 40 0 GCABRN COc1ccc(C(=O)NCCSc2n[nH]c(C)n2)cc1S(=O)(=O)N(C)C ZINC000222910030 570430957 /nfs/dbraw/zinc/43/09/57/570430957.db2.gz UKZIYLFLFKJYSB-UHFFFAOYSA-N 0 0 399.498 0.894 40 0 GCABRN CC(=O)OC(OC(C)=O)[C@@]12C=C[C@@H](O1)[C@H]1C(=O)N(Cc3ccco3)C(=O)[C@@H]12 ZINC000005226821 570431737 /nfs/dbraw/zinc/43/17/37/570431737.db2.gz WYAXTVOEWSIHGZ-MMQJMDILSA-N 0 0 375.333 0.541 40 0 GCABRN CCCNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(C)S(C)(=O)=O ZINC000222967408 570433684 /nfs/dbraw/zinc/43/36/84/570433684.db2.gz RUWJUNBDPBGMOZ-CQSZACIVSA-N 0 0 399.513 0.830 40 0 GCABRN C[C@@H](O)CNC(=O)CSc1nc2ccccc2n1CC(=O)NC[C@H](C)O ZINC000005387118 570436840 /nfs/dbraw/zinc/43/68/40/570436840.db2.gz RRKZMYXJSCTDTM-NWDGAFQWSA-N 0 0 380.470 0.122 40 0 GCABRN CCO[C@@]1(COC(C)=O)O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000005732086 570453657 /nfs/dbraw/zinc/45/36/57/570453657.db2.gz DQHZSEKAVUOAPQ-FZKCQIBNSA-N 0 0 376.358 0.108 40 0 GCABRN Cc1cc(=O)oc2cc(NC(=O)[C@@H]3CCC(=O)N3C(=O)[C@@H]3CCC(=O)N3)ccc12 ZINC000005792745 570456895 /nfs/dbraw/zinc/45/68/95/570456895.db2.gz SHGOIFDEBDGGCG-KBPBESRZSA-N 0 0 397.387 0.836 40 0 GCABRN CS(=O)(=O)N1CC[C@@H](C(=O)NCCCN2CCOCC2)Oc2ccccc21 ZINC000030944592 570501771 /nfs/dbraw/zinc/50/17/71/570501771.db2.gz LPUABCXOVICTCS-KRWDZBQOSA-N 0 0 397.497 0.442 40 0 GCABRN COCCn1ccc(C(=O)N2CC3(C2)C[C@@H](OCC(=O)N(C)C)CS3)n1 ZINC000575402358 570519141 /nfs/dbraw/zinc/51/91/41/570519141.db2.gz BHOULFVGLOJOPS-CYBMUJFWSA-N 0 0 382.486 0.334 40 0 GCABRN COCC(=O)NCC[C@H]1CCOC12CN(S(=O)(=O)c1ccc(C)cc1)C2 ZINC000575403466 570519927 /nfs/dbraw/zinc/51/99/27/570519927.db2.gz LJEXHSMTAKLWOQ-HNNXBMFYSA-N 0 0 382.482 0.927 40 0 GCABRN C[C@@H]1C[C@@H]1C(=O)N1CC2(C1)CN(CC1CC1)[C@@H](C(=O)N1CCCCO1)CO2 ZINC000575406556 570522261 /nfs/dbraw/zinc/52/22/61/570522261.db2.gz YAEROBXTXDGXNP-HYVNUMGLSA-N 0 0 377.485 0.888 40 0 GCABRN CNC(=O)[C@@H]1COC2(CN(C(=O)[C@@H]3Cc4ccccc4O3)C2)CN1CC1CC1 ZINC000575406233 570522474 /nfs/dbraw/zinc/52/24/74/570522474.db2.gz WEGJWUHKWSKWMX-WMZOPIPTSA-N 0 0 385.464 0.428 40 0 GCABRN CCOC(=O)N1CCN(C(=O)[C@H](C)NS(=O)(=O)c2ccc(OC)cc2)CC1 ZINC000028197904 570530768 /nfs/dbraw/zinc/53/07/68/570530768.db2.gz RFZCWCDHMIGECB-ZDUSSCGKSA-N 0 0 399.469 0.663 40 0 GCABRN COc1ccc(S(=O)(=O)N2C(=O)CC[C@@H]2C(=O)N2CCOCC2)cc1C ZINC000028210101 570532302 /nfs/dbraw/zinc/53/23/02/570532302.db2.gz YZBOKBGOPRUVNJ-CQSZACIVSA-N 0 0 382.438 0.542 40 0 GCABRN CCOC(=O)N1CCN(C(=O)c2ccc(OC)c(S(=O)(=O)NC)c2)CC1 ZINC000008476070 570532990 /nfs/dbraw/zinc/53/29/90/570532990.db2.gz BZZVFFXIWDBIIL-UHFFFAOYSA-N 0 0 385.442 0.518 40 0 GCABRN CC[C@@H](C)NC(=O)C1CCN(S(=O)(=O)c2ccc(-n3cnnn3)cc2)CC1 ZINC000001361843 570576553 /nfs/dbraw/zinc/57/65/53/570576553.db2.gz JLNKMDVXAYFYLG-CYBMUJFWSA-N 0 0 392.485 0.978 40 0 GCABRN COc1ccc(-c2c3c(ccn(C(CO)CO)c3=O)nc3nc(C)nn32)cc1 ZINC000038828768 570584217 /nfs/dbraw/zinc/58/42/17/570584217.db2.gz PMMAAGRPEVCSFS-UHFFFAOYSA-N 0 0 381.392 0.949 40 0 GCABRN Cc1nc(N2CCOCC2)ncc1-c1cc(=O)[nH]c(N2CCC(C(N)=O)CC2)n1 ZINC000040389112 570599914 /nfs/dbraw/zinc/59/99/14/570599914.db2.gz PRZOZALCEFQBND-UHFFFAOYSA-N 0 0 399.455 0.074 40 0 GCABRN CCn1c(SCC(=O)NCc2ccco2)nc2c1c(=O)n(C)c(=O)n2C ZINC000004102817 570618482 /nfs/dbraw/zinc/61/84/82/570618482.db2.gz AZOQOTAQLZIBDY-UHFFFAOYSA-N 0 0 377.426 0.455 40 0 GCABRN COCCNC(=O)CN(C(=O)c1snc(C(N)=O)c1N)c1cccc(C)c1 ZINC000004213707 570623058 /nfs/dbraw/zinc/62/30/58/570623058.db2.gz QVPRAQXJTNOTAQ-UHFFFAOYSA-N 0 0 391.453 0.542 40 0 GCABRN COCCOC(=O)C1=C(C)NC(=O)[C@]12c1ccccc1OC(N)=C2C(=O)OC ZINC000004517069 570631594 /nfs/dbraw/zinc/63/15/94/570631594.db2.gz MXWFJMVDHJCSLN-LJQANCHMSA-N 0 0 388.376 0.254 40 0 GCABRN CC(C)C[C@@H](NC(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C)C(=O)N[C@H](C)C(N)=O ZINC000005027220 570657640 /nfs/dbraw/zinc/65/76/40/570657640.db2.gz IZDFHHVPNPDEDP-MCIONIFRSA-N 0 0 398.504 0.907 40 0 GCABRN Cc1ccc2cc(C)c3nn(CCNC(=O)[C@@H]4CSCC(=O)N4)c(=O)n3c2c1 ZINC000057740206 570703081 /nfs/dbraw/zinc/70/30/81/570703081.db2.gz UMKGTVURFXEPJT-AWEZNQCLSA-N 0 0 399.476 0.614 40 0 GCABRN Cn1nccc1C(=O)N1CC2(C1)[C@H](COc1ccccn1)CCS2(=O)=O ZINC000248031082 570720328 /nfs/dbraw/zinc/72/03/28/570720328.db2.gz LIWOCKIRGZLJJO-ZDUSSCGKSA-N 0 0 376.438 0.523 40 0 GCABRN Cc1ccc(OCC(=O)N2Cc3ccnn3[C@@H](CNS(C)(=O)=O)C2)cc1 ZINC000248036093 570720557 /nfs/dbraw/zinc/72/05/57/570720557.db2.gz SIPVXIBOJFIJHN-HNNXBMFYSA-N 0 0 378.454 0.703 40 0 GCABRN CCOC(=O)[C@H]1C(=O)Nc2c(c(=O)n(C)c(=O)n2C)[C@@H]1c1ccc(F)cc1 ZINC000004999287 570730734 /nfs/dbraw/zinc/73/07/34/570730734.db2.gz PWYPAGXBJINJHK-WCQYABFASA-N 0 0 375.356 0.486 40 0 GCABRN [NH3+][C@@H](CCCCN1CC=Cc2[nH]c(NCCC[C@H]([NH3+])C(=O)[O-])nc21)C(=O)[O-] ZINC000064859444 570756639 /nfs/dbraw/zinc/75/66/39/570756639.db2.gz QCJYESKEQDNBSQ-RYUDHWBXSA-N 0 0 380.449 0.429 40 0 in-vitro GCABRN CC(C)C[C@H](NC(=O)[C@H]1CCCN1C(=O)OC(C)(C)C)C(=O)N[C@@H](C)C(N)=O ZINC000012393273 570806297 /nfs/dbraw/zinc/80/62/97/570806297.db2.gz IZDFHHVPNPDEDP-MELADBBJSA-N 0 0 398.504 0.907 40 0 GCABRN CS(=O)(=O)N(CC(=O)N1CCN(C=O)CC1)c1cccc2ccccc21 ZINC000010283583 570816573 /nfs/dbraw/zinc/81/65/73/570816573.db2.gz BXYQVYCWPXRVII-UHFFFAOYSA-N 0 0 375.450 0.906 40 0 GCABRN CN(Cc1ccc(OCC(=O)NCCCn2ccnc2)cc1)S(C)(=O)=O ZINC000014399348 570884470 /nfs/dbraw/zinc/88/44/70/570884470.db2.gz FCSQFWCVJZPIDD-UHFFFAOYSA-N 0 0 380.470 0.860 40 0 GCABRN C[C@]1(O)[C@H](N2CCN(Cc3ccccc3)CC2)O[C@@](C)(CO)[C@@](C)(O)[C@@]1(C)O ZINC000257345184 570910978 /nfs/dbraw/zinc/91/09/78/570910978.db2.gz XOSLXWLHQVUTQP-IFLJBQAJSA-N 0 0 394.512 0.165 40 0 GCABRN Cn1ccc(CC(=O)N2CCC[C@]3(CC(C(=O)NCc4cccnc4)=NO3)C2)n1 ZINC000585101188 570926383 /nfs/dbraw/zinc/92/63/83/570926383.db2.gz MEQKKDKVVFKFRV-FQEVSTJZSA-N 0 0 396.451 0.812 40 0 GCABRN COCCn1nnnc1[C@@H](c1ccc(OC)c(OC)c1)N1CCN(C)CC1 ZINC000019589846 570928820 /nfs/dbraw/zinc/92/88/20/570928820.db2.gz GIHKSZWBBSFNJW-QGZVFWFLSA-N 0 0 376.461 0.674 40 0 GCABRN Cc1[nH]c(=O)[nH]c(=O)c1C=CC(=O)N[C@H](CO)CSCc1ccccc1 ZINC000017042490 570937884 /nfs/dbraw/zinc/93/78/84/570937884.db2.gz PVVOXOJGFNXJJC-WBTMPAOCSA-N 0 0 375.450 0.795 40 0 GCABRN O=C(NC1CCC1)c1nnc2n1CCN1CCN(C(=O)C3CC(F)C3)C[C@H]21 ZINC000585109950 570938715 /nfs/dbraw/zinc/93/87/15/570938715.db2.gz SFBXWXDKKRQDPT-ORHYLEIMSA-N 0 0 376.436 0.507 40 0 GCABRN Cn1cc(-c2ccc3c(c2)[C@H]2CN(C(=O)C4CC(O)C4)C[C@@H]2S3(=O)=O)cn1 ZINC000585110049 570938953 /nfs/dbraw/zinc/93/89/53/570938953.db2.gz BKHMXIHQQVNVQU-IPAACOPJSA-N 0 0 387.461 0.940 40 0 GCABRN CN(C)S(=O)(=O)N1Cc2ccnn2[C@H](CCNC(=O)c2cccnc2)C1 ZINC000585112149 570942763 /nfs/dbraw/zinc/94/27/63/570942763.db2.gz JFEYNMOFISUMEE-CQSZACIVSA-N 0 0 378.458 0.261 40 0 GCABRN O=C(NCc1cc(=O)[nH]c(N2CCOCC2)n1)[C@H]1CC(=O)Nc2ccccc21 ZINC000019374888 570981748 /nfs/dbraw/zinc/98/17/48/570981748.db2.gz NHRDLBIWTUZREB-AWEZNQCLSA-N 0 0 383.408 0.349 40 0 GCABRN O=C([C@H]1CCS(=O)(=O)C1)N1CCC[C@@H]1c1nc(-c2ccccn2)cc(=O)[nH]1 ZINC000019402454 570982941 /nfs/dbraw/zinc/98/29/41/570982941.db2.gz XKZYIVYZQNBVPK-SWLSCSKDSA-N 0 0 388.449 0.930 40 0 GCABRN O=C(NCc1cc(=O)[nH]c(N2CCCC2)n1)[C@H]1CSC(c2ccncc2)=N1 ZINC000019405032 570983327 /nfs/dbraw/zinc/98/33/27/570983327.db2.gz QIGKJXVGXZLMHA-CQSZACIVSA-N 0 0 384.465 0.944 40 0 GCABRN CCC(=O)N1C[C@@H](C(=O)NCCOC)[C@H](c2ccnc(N3CCCC3)n2)C1 ZINC000019499210 570991783 /nfs/dbraw/zinc/99/17/83/570991783.db2.gz PCIIUROHMAFDFS-HUUCEWRRSA-N 0 0 375.473 0.791 40 0 GCABRN CCCC(=O)N1CCC[C@H](c2nc3c(c(=O)[nH]2)CN(S(C)(=O)=O)CC3)C1 ZINC000019501321 570992843 /nfs/dbraw/zinc/99/28/43/570992843.db2.gz KLMPEXOTCITNPH-LBPRGKRZSA-N 0 0 382.486 0.594 40 0 GCABRN CCc1nc2ccccc2c2nn(CC(=O)N3CCN(C(C)=O)CC3)c(=O)n21 ZINC000019523251 570995785 /nfs/dbraw/zinc/99/57/85/570995785.db2.gz HJKJGMQPFVVZLP-UHFFFAOYSA-N 0 0 382.424 0.297 40 0 GCABRN Cc1nc(N2CCC(NC(=O)CCN3C(=O)CSC3=O)CC2)[nH]c(=O)c1C ZINC000019555191 571002844 /nfs/dbraw/zinc/00/28/44/571002844.db2.gz QSZVVDCFOMYGQA-UHFFFAOYSA-N 0 0 393.469 0.557 40 0 GCABRN CON(C)C(=O)CN1CC[C@@]2(CCC1=O)Nc1ccccc1S(=O)(=O)N2 ZINC000019578686 571012775 /nfs/dbraw/zinc/01/27/75/571012775.db2.gz YRVJEQXWPRWNLI-INIZCTEOSA-N 0 0 382.442 0.119 40 0 GCABRN CC(C)N1CCNC(=O)[C@@H]1CC(=O)Nc1cccc(C(=O)N2CCOCC2)c1 ZINC000019657170 571023886 /nfs/dbraw/zinc/02/38/86/571023886.db2.gz AKWARCLYEIBACF-KRWDZBQOSA-N 0 0 388.468 0.696 40 0 GCABRN CC1(C)C(=O)NCCN1C(=O)c1ccc([C@H]2CCCN(S(C)(=O)=O)C2)nc1 ZINC000019706014 571031965 /nfs/dbraw/zinc/03/19/65/571031965.db2.gz AOYGOCGVESHFKJ-AWEZNQCLSA-N 0 0 394.497 0.571 40 0 GCABRN CN(C)S(=O)(=O)N1CCC[C@H](c2ncccc2C(=O)N2CCOCC2)C1 ZINC000019709376 571034240 /nfs/dbraw/zinc/03/42/40/571034240.db2.gz TYRYHRWYSHWYFD-AWEZNQCLSA-N 0 0 382.486 0.540 40 0 GCABRN O=C(c1ccc(-n2cccn2)nc1)N1CCN(S(=O)(=O)N2CCCC2)CC1 ZINC000019716591 571038628 /nfs/dbraw/zinc/03/86/28/571038628.db2.gz YCERRDFATHVQPN-UHFFFAOYSA-N 0 0 390.469 0.366 40 0 GCABRN CCN1C[C@@]2(CC1=O)CN(C(=O)c1cccn1C)CCN(C(=O)N(C)C)C2 ZINC000096036224 571096171 /nfs/dbraw/zinc/09/61/71/571096171.db2.gz ZCGRIXDRBWCZGZ-IBGZPJMESA-N 0 0 375.473 0.703 40 0 GCABRN Cn1cc(C(=O)NCc2cc(=O)n3c(n2)CN(Cc2ccco2)CCC3)cn1 ZINC000096059652 571098625 /nfs/dbraw/zinc/09/86/25/571098625.db2.gz KSSYONNVNUDAMR-UHFFFAOYSA-N 0 0 382.424 0.906 40 0 GCABRN CC(=O)N[C@H]1[C@@H](Oc2cccc3ccccc32)O[C@@H](CO)[C@@H](O)[C@H]1OC(C)=O ZINC000062725322 1199158287 /nfs/dbraw/zinc/15/82/87/1199158287.db2.gz BLLDREJCXJOWEZ-MDMHHNQBSA-N 0 0 389.404 0.733 40 0 GCABRN CC(=O)N[C@@H]1[C@H](Oc2ccc3ccccc3c2)O[C@H](CO)[C@@H](O)[C@H]1OC(C)=O ZINC000253476002 1199174759 /nfs/dbraw/zinc/17/47/59/1199174759.db2.gz FRTSLPFLUVGQPA-UJMXGEILSA-N 0 0 389.404 0.733 40 0 GCABRN COc1ccc2c(c1)O[C@]1(CCC(=O)N(CC(=O)NC3CC3)CC1)CNC2=O ZINC000019562756 210264438 /nfs/dbraw/zinc/26/44/38/210264438.db2.gz KACSFIXONLKALO-FQEVSTJZSA-N 0 0 387.436 0.847 40 0 GCABRN CCc1cc(CNC(=O)[C@H]2CCCN(S(=O)(=O)c3cnn(C)c3)C2)on1 ZINC000019522794 210257050 /nfs/dbraw/zinc/25/70/50/210257050.db2.gz AFSOVLCCPXKGLK-LBPRGKRZSA-N 0 0 381.458 0.688 40 0 GCABRN CCN1C[C@@H](C(=O)N2CCc3nc([C@@H]4CCCN4C(C)=O)ncc3C2)CC1=O ZINC000019526957 210256406 /nfs/dbraw/zinc/25/64/06/210256406.db2.gz WPWJYZMTMINMKN-YOEHRIQHSA-N 0 0 385.468 0.913 40 0 GCABRN CC[C@H](C)C(=O)N1CC[C@@H](c2nc3c(c(=O)[nH]2)CCN(S(C)(=O)=O)C3)C1 ZINC000019499775 210254252 /nfs/dbraw/zinc/25/42/52/210254252.db2.gz BGCRWMUPQJQBLW-NWDGAFQWSA-N 0 0 382.486 0.450 40 0 GCABRN CCC(=O)N1CCC[C@H](c2nc3c(c(=O)[nH]2)CN(S(=O)(=O)N(C)C)CC3)C1 ZINC000019498762 210251768 /nfs/dbraw/zinc/25/17/68/210251768.db2.gz GFMDEDHFAWHYQU-LBPRGKRZSA-N 0 0 397.501 0.050 40 0 GCABRN C[C@H](Cc1ccccn1)NC(=O)[C@@H]1CCCN(S(=O)(=O)c2cnn(C)c2)C1 ZINC000019457011 210250184 /nfs/dbraw/zinc/25/01/84/210250184.db2.gz GBDFGYTWDXMMBV-HUUCEWRRSA-N 0 0 391.497 0.963 40 0 GCABRN COC[C@H](C)NS(=O)(=O)c1ccc(O[C@@H](C)C(=O)N2CCOCC2)cc1 ZINC000408610764 231079864 /nfs/dbraw/zinc/07/98/64/231079864.db2.gz VRVUTVLJESVTFH-KBPBESRZSA-N 0 0 386.470 0.626 40 0 GCABRN COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NCCCn2ccnc2)cc1OC ZINC000408587877 231068525 /nfs/dbraw/zinc/06/85/25/231068525.db2.gz CMSFYNGRBFJJHZ-ZDUSSCGKSA-N 0 0 396.469 0.774 40 0 GCABRN COCCCNS(=O)(=O)c1ccc(O[C@H](C)C(=O)N2CCOCC2)cc1 ZINC000408604223 231076083 /nfs/dbraw/zinc/07/60/83/231076083.db2.gz LKUDJWFTBWZRES-CQSZACIVSA-N 0 0 386.470 0.628 40 0 GCABRN COCCNS(=O)(=O)c1ccc(OCC(=O)N[C@@H](C)COC)c(Cl)c1 ZINC000408635578 231090476 /nfs/dbraw/zinc/09/04/76/231090476.db2.gz FFVQYSKANRWELW-NSHDSACASA-N 0 0 394.877 0.795 40 0 GCABRN CCc1nnc(SCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)OC)n1N ZINC000409001381 231145853 /nfs/dbraw/zinc/14/58/53/231145853.db2.gz IBTSCCLPCBWGMQ-LBPRGKRZSA-N 0 0 379.442 0.253 40 0 GCABRN Cc1ccc(S(=O)(=O)N2CC[C@@H]3C[C@H](NC(=O)[C@H]4CC(=O)N(C)C4)[C@@H]32)cc1 ZINC000019211630 210231448 /nfs/dbraw/zinc/23/14/48/210231448.db2.gz YDJVSCJLOJJWRC-YQYZPQCESA-N 0 0 391.493 0.741 40 0 GCABRN CCCCN1C(=O)[C@@H]2[C@H](C1=O)[C@@H]([C@@H](C)O)N[C@]21C(=O)Nc2ccc(F)cc21 ZINC000015971776 210181873 /nfs/dbraw/zinc/18/18/73/210181873.db2.gz QVYSYXNAPWSMPT-PLDRTOJQSA-N 0 0 375.400 0.727 40 0 GCABRN CNC(=O)c1cc(S(=O)(=O)Nc2ccc(S(N)(=O)=O)cc2)ccc1C ZINC000408588933 529932447 /nfs/dbraw/zinc/93/24/47/529932447.db2.gz DEUHBLVDIWZXQX-UHFFFAOYSA-N 0 0 383.451 0.803 40 0 GCABRN O=C(Nc1ccccc1-c1nn(CO)c(=S)n(CO)c1=O)C(F)(F)F ZINC000001617156 530114901 /nfs/dbraw/zinc/11/49/01/530114901.db2.gz SIFQRPDOTAOSPA-UHFFFAOYSA-N 0 0 376.316 0.842 40 0 GCABRN CSc1ncnc2c1c(Br)cn2[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H]1O ZINC000004995508 530119141 /nfs/dbraw/zinc/11/91/41/530119141.db2.gz IRFZERSLBNKSOA-UKHPNBTGSA-N 0 0 376.232 0.527 40 0 GCABRN CN(C)C(=S)S[C@H]1O[C@H](CO)[C@H](SC(=S)N(C)C)O[C@H]1CO ZINC000005339685 530119803 /nfs/dbraw/zinc/11/98/03/530119803.db2.gz NSWFKRMBCOWTSI-FIRGSJFUSA-N 0 0 386.586 0.567 40 0 GCABRN CN1CCN(C(=O)c2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)CC1 ZINC000035709031 530124751 /nfs/dbraw/zinc/12/47/51/530124751.db2.gz PAIVVOHIQSWMBB-UHFFFAOYSA-N 0 0 387.889 0.749 40 0 GCABRN Cc1nn(C)cc1[C@@H]1C[C@@H](C(=O)NCc2cccs2)N(C)S(=O)(=O)N1 ZINC000012131457 530132810 /nfs/dbraw/zinc/13/28/10/530132810.db2.gz UKMFUUHRFLSSCR-KBPBESRZSA-N 0 0 383.499 0.686 40 0 GCABRN CN(C)S(=O)(=O)NCC(=O)Nc1ccc2c(c1)nc(C(F)(F)F)n2C ZINC000019716792 530146667 /nfs/dbraw/zinc/14/66/67/530146667.db2.gz JEPNGIKVESDXDW-UHFFFAOYSA-N 0 0 379.364 0.927 40 0 GCABRN CNC(=O)[C@H]1C(=O)C[C@](C)(O)[C@@H](C(=O)NC)[C@H]1c1ccc(Br)cc1 ZINC000036556744 530172681 /nfs/dbraw/zinc/17/26/81/530172681.db2.gz VVHUDXYAOJMQET-ZJOBFFGXSA-N 0 0 397.269 0.981 40 0 GCABRN CCCCS(=O)(=O)N1C[C@@H]2c3nc(N(C)C)ncc3CS(=O)(=O)[C@@H]2C1 ZINC000096083415 530241833 /nfs/dbraw/zinc/24/18/33/530241833.db2.gz WJGVRATUAGLEPA-QWHCGFSZSA-N 0 0 388.515 0.369 40 0 GCABRN Cc1nc(CN2CCO[C@H]3CN(S(=O)(=O)c4cn(C)cn4)C[C@H]32)cs1 ZINC000096248774 530242675 /nfs/dbraw/zinc/24/26/75/530242675.db2.gz HWDCVJUEWZMUIX-KGLIPLIRSA-N 0 0 383.499 0.459 40 0 GCABRN O=S(=O)(NC[C@H]1CCCO1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000000922641 530305848 /nfs/dbraw/zinc/30/58/48/530305848.db2.gz FHILQTOWPAZAEA-CYBMUJFWSA-N 0 0 390.483 0.165 40 0 GCABRN C[C@H](NS(=O)(=O)c1ccc(Br)cc1)C(=O)N1CCOCC1 ZINC000006175196 530337839 /nfs/dbraw/zinc/33/78/39/530337839.db2.gz WFLLATULQFUZIG-JTQLQIEISA-N 0 0 377.260 0.975 40 0 GCABRN COc1ccc(NC(C)=O)cc1S(=O)(=O)N[C@]1(C)CCS(=O)(=O)C1 ZINC000047031752 530575321 /nfs/dbraw/zinc/57/53/21/530575321.db2.gz DXPAJYKMOLCAPG-CQSZACIVSA-N 0 0 376.456 0.509 40 0 GCABRN CN1CCN(C(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)CC1 ZINC000298150080 530577877 /nfs/dbraw/zinc/57/78/77/530577877.db2.gz VBWRJHSDUISROK-UHFFFAOYSA-N 0 0 387.889 0.749 40 0 GCABRN CCN([C@H]1CS(=O)(=O)C[C@H]1O)S(=O)(=O)c1ccc(Br)cc1 ZINC000575423715 530688346 /nfs/dbraw/zinc/68/83/46/530688346.db2.gz QUZZKAPYKVOOAS-NWDGAFQWSA-N 0 0 398.300 0.618 40 0 GCABRN O=S1(=O)C[C@@H]2N[C@@H]3CS(=O)(=O)C[C@@H]3N(Cc3cccc(Cl)c3)[C@@H]2C1 ZINC000575423133 530688351 /nfs/dbraw/zinc/68/83/51/530688351.db2.gz OKKXYBLYIOKFOT-PYHGIMPFSA-N 0 0 390.914 0.076 40 0 GCABRN CCN([C@@]1(C)CCS(=O)(=O)C1)S(=O)(=O)c1ccc(CNC(C)=O)cc1 ZINC000575422564 530688365 /nfs/dbraw/zinc/68/83/65/530688365.db2.gz NIOAVOZAAVLSEX-INIZCTEOSA-N 0 0 388.511 0.911 40 0 GCABRN CCOC(=O)N[C@H]1CS(=O)(=O)C[C@@H]1NS(=O)(=O)c1ccc(F)cc1 ZINC000575424658 530689495 /nfs/dbraw/zinc/68/94/95/530689495.db2.gz VCGNFSITFHOLNW-RYUDHWBXSA-N 0 0 380.419 0.016 40 0 GCABRN [NH3+]CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(C(=O)[O-])ccc1Cl ZINC000575425701 530689519 /nfs/dbraw/zinc/68/95/19/530689519.db2.gz HJTXKCYZCCECAW-SNVBAGLBSA-N 0 0 396.874 0.175 40 0 GCABRN CCOC(=O)N(CCNC(=O)C1CCCCC1)[C@H]1CS(=O)(=O)C[C@@H]1O ZINC000217368877 530936861 /nfs/dbraw/zinc/93/68/61/530936861.db2.gz SHTDXSWXSHAZDJ-KBPBESRZSA-N 0 0 376.475 0.299 40 0 GCABRN COC(=O)[C@H]1C([O-])=NC(N2CCN(c3ccccn3)CC2)=[NH+][C@@H]1c1ccco1 ZINC000010157571 209854974 /nfs/dbraw/zinc/85/49/74/209854974.db2.gz VNPUUKBDJJWLGJ-HZPDHXFCSA-N 0 0 383.408 0.813 40 0 GCABRN COC(=O)[C@@H]1C([O-])=NC(N2CCN(c3ccccn3)CC2)=[NH+][C@@H]1c1ccco1 ZINC000010157572 209854491 /nfs/dbraw/zinc/85/44/91/209854491.db2.gz VNPUUKBDJJWLGJ-JKSUJKDBSA-N 0 0 383.408 0.813 40 0 GCABRN CCOC(=O)[C@@H]1CS[C@H](CC(=O)Nc2ccc(C(=O)OC)cc2)C(=O)N1 ZINC000000851191 209272389 /nfs/dbraw/zinc/27/23/89/209272389.db2.gz MPWLVKLYSAQSJO-QWHCGFSZSA-N 0 0 380.422 0.965 40 0 GCABRN CC(=O)OC1[C@@H](OC(C)=O)C(=O)N(c2ccccc2F)C(=O)[C@@H]1OC(C)=O ZINC000028539534 209181016 /nfs/dbraw/zinc/18/10/16/209181016.db2.gz MOIDFPMKXOENDU-HUUCEWRRSA-N 0 0 381.312 0.494 40 0 GCABRN CCS(=O)(=O)CCN1Cc2ncn(C)c2[C@@H](C(=O)N2CC(F)(F)C2)C1 ZINC000306141496 212055425 /nfs/dbraw/zinc/05/54/25/212055425.db2.gz VXZCAGQIIRQLCX-NSHDSACASA-N 0 0 376.429 0.232 40 0 GCABRN O=c1c(=O)n(Cc2ccccn2)nc2n1CC[C@]21CCN(Cc2nccs2)C1 ZINC000306142290 212055253 /nfs/dbraw/zinc/05/52/53/212055253.db2.gz WVMGTRLUOUZHKJ-IBGZPJMESA-N 0 0 396.476 0.852 40 0 GCABRN O=c1c(=O)n(Cc2ccccn2)nc2n1CC[C@@]21CCN(Cc2nccs2)C1 ZINC000306142291 212054300 /nfs/dbraw/zinc/05/43/00/212054300.db2.gz WVMGTRLUOUZHKJ-LJQANCHMSA-N 0 0 396.476 0.852 40 0 GCABRN CCS(=O)(=O)N1C[C@@H]2Cc3nnc(C(=O)Nc4ccccc4)n3C[C@@H]2C1 ZINC000306139729 212053912 /nfs/dbraw/zinc/05/39/12/212053912.db2.gz TYTBXXCZIJLSJD-STQMWFEESA-N 0 0 375.454 0.984 40 0 GCABRN CS(=O)(=O)CCC(=O)N1C[C@@]2(F)C(=O)N(Cc3ccccc3)C[C@@]2(F)C1 ZINC000306130746 212049587 /nfs/dbraw/zinc/04/95/87/212049587.db2.gz JOJATRNZANHXEQ-IAGOWNOFSA-N 0 0 386.420 0.722 40 0 GCABRN CC[C@H](C)CNC(=O)c1cn2c(nc1=O)[C@@]1(CC2)CCN(S(C)(=O)=O)C1 ZINC000306132631 212048884 /nfs/dbraw/zinc/04/88/84/212048884.db2.gz LOBJEYVVGQLBRA-SJCJKPOMSA-N 0 0 382.486 0.326 40 0 GCABRN CC[C@@H](C)CNC(=O)c1cn2c(nc1=O)[C@]1(CC2)CCN(S(C)(=O)=O)C1 ZINC000306132632 212048986 /nfs/dbraw/zinc/04/89/86/212048986.db2.gz LOBJEYVVGQLBRA-SJKOYZFVSA-N 0 0 382.486 0.326 40 0 GCABRN CN1CCN(C(=O)c2ncn3c2CN(CC2CC2)C(=O)c2nccnc2-3)CC1 ZINC000306126527 212045698 /nfs/dbraw/zinc/04/56/98/212045698.db2.gz DYIXKPPWHHQRGH-UHFFFAOYSA-N 0 0 381.440 0.416 40 0 GCABRN O=C(c1ccccn1)N1CCO[C@@H](Cn2nnc3c2ncnc3N2CCCC2)C1 ZINC000306126169 212044626 /nfs/dbraw/zinc/04/46/26/212044626.db2.gz DOSULJWSLAYXIK-CQSZACIVSA-N 0 0 394.439 0.758 40 0 GCABRN CCCNC(=O)N1CCC2(Cc3nn(Cc4cccnc4)c(=O)c(=O)n3C2)CC1 ZINC000306125979 212044529 /nfs/dbraw/zinc/04/45/29/212044529.db2.gz DIBPYMADOBHXRJ-UHFFFAOYSA-N 0 0 398.467 0.606 40 0 GCABRN COc1cccc([C@H]2C[C@@](O)(CNC(=O)c3cnn(C)c3)[C@H](O)[C@@H](C)O2)c1 ZINC000257332852 212026812 /nfs/dbraw/zinc/02/68/12/212026812.db2.gz XYZDQOVQISIAFX-MYFFOXHASA-N 0 0 375.425 0.801 40 0 GCABRN O=C(NC[C@@]1(O)COCCN(C(=O)c2cc3ccccc3[nH]2)C1)c1ccn[nH]1 ZINC000257316088 212023628 /nfs/dbraw/zinc/02/36/28/212023628.db2.gz VEBAESAEOVTTSR-IBGZPJMESA-N 0 0 383.408 0.525 40 0 GCABRN CNc1ncnc2c1ncn2[C@@H]1CC[C@@H](NC(=O)c2cccnc2)[C@@H](O)[C@@H]1O ZINC000257317841 212023723 /nfs/dbraw/zinc/02/37/23/212023723.db2.gz VLKIWXYSVQKXNB-QHSBEEBCSA-N 0 0 383.412 0.118 40 0 GCABRN Cc1cc(C)nc(NCCC(=O)N2C[C@@H](O)[C@H](n3cnc4c3ncnc4N)C2)n1 ZINC000257288893 212018036 /nfs/dbraw/zinc/01/80/36/212018036.db2.gz PWCHJVKZTRHSIN-CHWSQXEVSA-N 0 0 397.443 0.062 40 0 GCABRN O=C(Cn1nnc2ccccc21)N1CCc2c(=O)[nH]c(N3CCCC3)nc2C1 ZINC000012181494 204377998 /nfs/dbraw/zinc/37/79/98/204377998.db2.gz WJSKPZGVNYHTPC-UHFFFAOYSA-N 0 0 379.424 0.700 40 0 GCABRN O=C(c1ccc2c(c1)OCO2)N1CCc2nc(N3CCOCC3)[nH]c(=O)c2C1 ZINC000012113736 204371901 /nfs/dbraw/zinc/37/19/01/204371901.db2.gz WOMFDPNKYNBSQT-UHFFFAOYSA-N 0 0 384.392 0.534 40 0 GCABRN COCCNC(=O)c1cn(C[C@H]2CCCN(C(=O)c3conc3C)C2)nn1 ZINC000012184858 204379767 /nfs/dbraw/zinc/37/97/67/204379767.db2.gz ASGIXKFWHGLWPN-ZDUSSCGKSA-N 0 0 376.417 0.503 40 0 GCABRN CNC(=O)[C@H]1CN(C(=O)Cn2nc(C)ccc2=O)CCN1CCc1ccccc1 ZINC000257272130 212015106 /nfs/dbraw/zinc/01/51/06/212015106.db2.gz NBEZHSGZHXMSBY-GOSISDBHSA-N 0 0 397.479 0.053 40 0 GCABRN CNc1ncnc2c1ncn2[C@@H]1CC[C@@H](NC(=O)Cc2ccccc2)[C@@H](O)[C@@H]1O ZINC000257251485 212010713 /nfs/dbraw/zinc/01/07/13/212010713.db2.gz JQYSPHPLZXKGLL-DTTOXWODSA-N 0 0 396.451 0.652 40 0 GCABRN Cc1nc2cc(C(=O)N3C[C@@H](O)[C@H](n4cc(C)c(=O)[nH]c4=O)C3)ccc2n1C ZINC000257226601 212007541 /nfs/dbraw/zinc/00/75/41/212007541.db2.gz FLIBHKROSSTJPL-HZPDHXFCSA-N 0 0 383.408 0.510 40 0 GCABRN CS(=O)(=O)N1CCC[C@@]12CCN(CC(=O)N1CCc3ccccc31)C[C@@H]2O ZINC000257211541 212003238 /nfs/dbraw/zinc/00/32/38/212003238.db2.gz BZHNXFRMWSHNAC-HKUYNNGSSA-N 0 0 393.509 0.437 40 0 GCABRN Cc1nc(C)c(S(=O)(=O)N2CCN(S(=O)(=O)N3CCCC3)CC2)s1 ZINC000019716039 204675880 /nfs/dbraw/zinc/67/58/80/204675880.db2.gz MKSDHTXZBIOCKT-UHFFFAOYSA-N 0 0 394.544 0.407 40 0 GCABRN Cc1ccc(OCC(=O)N2Cc3ccnn3[C@H](CNS(C)(=O)=O)C2)cc1 ZINC000248036095 211981447 /nfs/dbraw/zinc/98/14/47/211981447.db2.gz SIPVXIBOJFIJHN-OAHLLOKOSA-N 0 0 378.454 0.703 40 0 GCABRN COc1ccccc1CCNC(=O)[C@H]1CN(C(=O)c2ccc(=O)n(C)c2)CCO1 ZINC000019747386 204680658 /nfs/dbraw/zinc/68/06/58/204680658.db2.gz SFJJMCQFTRYUDJ-GOSISDBHSA-N 0 0 399.447 0.594 40 0 GCABRN COc1ccc(S(=O)(=O)N(C)CC(=O)NCCSc2nc[nH]n2)cc1C ZINC000226044930 211937251 /nfs/dbraw/zinc/93/72/51/211937251.db2.gz YHIPVFXEDGPMIW-UHFFFAOYSA-N 0 0 399.498 0.651 40 0 GCABRN Cc1nnc(S(=O)(=O)Nc2ccc(C(N)=O)cc2)n(Cc2ccccc2)c1=O ZINC000032611935 204914444 /nfs/dbraw/zinc/91/44/44/204914444.db2.gz OCZSXCBKXGTTKS-UHFFFAOYSA-N 0 0 399.432 0.895 40 0 GCABRN CC(=O)N1CCN(c2nc3c(c(=O)[nH]c(=O)n3C)n2Cc2ccccc2)CC1 ZINC000072260121 205029252 /nfs/dbraw/zinc/02/92/52/205029252.db2.gz RCOCQQGIVFFXLJ-UHFFFAOYSA-N 0 0 382.424 0.140 40 0 GCABRN CC(C)NC(=O)NC[C@H]1O[C@H](Cc2cc(CN3CCOCC3)on2)CC[C@@H]1O ZINC000077263434 205035976 /nfs/dbraw/zinc/03/59/76/205035976.db2.gz QYXJILYAZJHHKY-RYQLBKOJSA-N 0 0 396.488 0.665 40 0 biogenic,in-vitro GCABRN CCN(CC(=O)NCCN1CCOCC1)S(=O)(=O)c1ccc(OC)cc1 ZINC000039986039 205045451 /nfs/dbraw/zinc/04/54/51/205045451.db2.gz DSMYWSLJQGWFOD-UHFFFAOYSA-N 0 0 385.486 0.154 40 0 GCABRN O=CN1CCN(CC(=O)N2c3ccccc3C(=O)N3CCCC[C@@H]3C2=O)CC1 ZINC000040386409 205062147 /nfs/dbraw/zinc/06/21/47/205062147.db2.gz BLAHPKUVTSEFAI-QGZVFWFLSA-N 0 0 384.436 0.329 40 0 GCABRN COC(=O)c1cc(OC)c(OC)cc1NC(=O)C[C@@H]1Cn2ncnc2NC1=O ZINC000040386843 205063057 /nfs/dbraw/zinc/06/30/57/205063057.db2.gz DQBLXXWLTFJEKZ-SECBINFHSA-N 0 0 389.368 0.679 40 0 GCABRN O=C(CSc1n[nH]c(CCn2ccc(=O)[nH]c2=O)n1)N1CCc2ccccc21 ZINC000071195238 205277985 /nfs/dbraw/zinc/27/79/85/205277985.db2.gz DLXNWLWPHJYMJR-UHFFFAOYSA-N 0 0 398.448 0.579 40 0 GCABRN Cc1nn(C)cc1[C@H]1C[C@H](C(=O)NCc2ccc(F)cc2)N(C)S(=O)(=O)N1 ZINC000072335159 205328173 /nfs/dbraw/zinc/32/81/73/205328173.db2.gz JDKVDNFYOFYKKM-HZPDHXFCSA-N 0 0 395.460 0.764 40 0 GCABRN COc1ccc(CC(=O)N2CCN(C(C)=O)C[C@](O)(Cn3cccn3)C2)cc1 ZINC000072354489 205332143 /nfs/dbraw/zinc/33/21/43/205332143.db2.gz QFTBPRJXFJROPI-HXUWFJFHSA-N 0 0 386.452 0.556 40 0 GCABRN CC1(C)c2sc(=O)[nH]c2S[C@@H]2C(=O)N(CC(=O)N3CCOCC3)C(=O)[C@H]21 ZINC000096300093 205557794 /nfs/dbraw/zinc/55/77/94/205557794.db2.gz OBROIGWEUCEWJH-UWVGGRQHSA-N 0 0 397.478 0.032 40 0 GCABRN CC(C)=CCC/C(C)=C/COC[C@@H]1O[C@H](n2ccc(=O)[nH]c2=O)[C@H](O)[C@@H]1O ZINC000107434683 205821272 /nfs/dbraw/zinc/82/12/72/205821272.db2.gz AXWLJQKHNCEKHK-NLGPRMJCSA-N 0 0 380.441 0.865 40 0 biogenic,in-vitro GCABRN NC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCN3C(=O)C2CC2)CC1 ZINC000224223180 206016011 /nfs/dbraw/zinc/01/60/11/206016011.db2.gz LQDQLCFTUYMOOI-UHFFFAOYSA-N 0 0 377.466 0.872 40 0 GCABRN CS(=O)(=O)N1CCC[C@@H](C(=O)NCc2ccc(CN3CCOCC3)cc2)C1 ZINC000224583959 206024297 /nfs/dbraw/zinc/02/42/97/206024297.db2.gz NOPLMJZCHBAERM-GOSISDBHSA-N 0 0 395.525 0.807 40 0 GCABRN CCCCN1C(=O)[C@@H]2C[C@@H](O)CN2C2(CN(C3Cc4ccccc4C3)C2)C1=O ZINC000225384972 206045207 /nfs/dbraw/zinc/04/52/07/206045207.db2.gz KTWKSOIYAZBFDQ-MOPGFXCFSA-N 0 0 383.492 0.812 40 0 biogenic,in-vitro GCABRN CC(C)NC(=O)C[C@@H]1C[C@H]2O[C@H](CNC(=O)NCc3ccccc3)[C@@H](O)[C@H]2O1 ZINC000225513675 206052594 /nfs/dbraw/zinc/05/25/94/206052594.db2.gz HMPZMUQSRWOSEE-SGFSRKTBSA-N 0 0 391.468 0.686 40 0 biogenic,in-vitro GCABRN Cc1nc(SCCNC(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)n[nH]1 ZINC000226001795 206087770 /nfs/dbraw/zinc/08/77/70/206087770.db2.gz YWIHQGPSXRTCEZ-UHFFFAOYSA-N 0 0 383.499 0.951 40 0 GCABRN COCCNC(=O)[C@@H]1CCC[C@@H](NC(=O)c2cc(C)n(C)n2)CN(C)C(=O)C1 ZINC000096113282 206117888 /nfs/dbraw/zinc/11/78/88/206117888.db2.gz QWSZXGKCEBLYCJ-HUUCEWRRSA-N 0 0 393.488 0.238 40 0 biogenic,in-vitro GCABRN Cn1cc(CN2C[C@H]3OC[C@H](CNS(=O)(=O)c4ccccc4)[C@H]3C2)cn1 ZINC000248107351 206136616 /nfs/dbraw/zinc/13/66/16/206136616.db2.gz GHRMYSXFMQDGEP-CGTJXYLNSA-N 0 0 376.482 0.845 40 0 GCABRN CNC(=O)[C@@H]1CN(S(=O)(=O)c2cn(C)nc2C)CCN1Cc1ccccc1 ZINC000257200249 206157259 /nfs/dbraw/zinc/15/72/59/206157259.db2.gz ACOPZWCKWHVSRS-INIZCTEOSA-N 0 0 391.497 0.350 40 0 GCABRN Cc1nc2cc(C(=O)N(C)[C@@H]3CC[C@@H](N4CCNC(=O)C4)[C@@H]3O)ccc2n1C ZINC000257209875 206159835 /nfs/dbraw/zinc/15/98/35/206159835.db2.gz BSFROJUHUGFOFQ-ZHALLVOQSA-N 0 0 385.468 0.277 40 0 GCABRN COCC(=O)NC[C@@]1(O)COCCN(C(=O)c2cc3ccc(F)cc3[nH]2)C1 ZINC000257317714 206178218 /nfs/dbraw/zinc/17/82/18/206178218.db2.gz VKWCUNPRNMWAGD-SFHVURJKSA-N 0 0 379.388 0.273 40 0 GCABRN CNc1ncnc2c1ncn2[C@@H]1CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](O)[C@@H]1O ZINC000257296385 206174398 /nfs/dbraw/zinc/17/43/98/206174398.db2.gz RCOXDQGZRUUMSJ-FPQZTECRSA-N 0 0 378.433 0.818 40 0 GCABRN CC[C@H]1O[C@@H](c2ccc(F)cc2)C[C@@](O)(CNS(=O)(=O)c2cn[nH]c2)[C@@H]1O ZINC000257301166 206174633 /nfs/dbraw/zinc/17/46/33/206174633.db2.gz RXGQTPIUZPEMTO-QBPKDAKJSA-N 0 0 399.444 0.859 40 0 GCABRN COCCN1CC=CC[C@@H](C2CCN(C(=O)CCn3cnnn3)CC2)C1=O ZINC000257296910 206175526 /nfs/dbraw/zinc/17/55/26/206175526.db2.gz REZDUJHNBHXIJO-INIZCTEOSA-N 0 0 376.461 0.353 40 0 GCABRN CC(=O)N1CCN([C@H]2CCN(C(=O)Cn3cnc4ccccc43)CC[C@@H]2O)CC1 ZINC000257310674 206176574 /nfs/dbraw/zinc/17/65/74/206176574.db2.gz UGBUDILHXBZLGR-PMACEKPBSA-N 0 0 399.495 0.552 40 0 GCABRN O=C(N[C@@H]1C[C@@H](Oc2ccccc2)[C@H](O)[C@H]1N1CCC(O)CC1)c1cnco1 ZINC000257229997 206162245 /nfs/dbraw/zinc/16/22/45/206162245.db2.gz GAHKPACYZBTXIY-FPAYPSAMSA-N 0 0 387.436 0.811 40 0 GCABRN Cn1c(=O)c2ccc([C@@H]3CN(C(=O)Cc4ccccn4)CCO3)nc2n(C)c1=O ZINC000257242453 206164363 /nfs/dbraw/zinc/16/43/63/206164363.db2.gz ICNYNJFQYLZWMU-INIZCTEOSA-N 0 0 395.419 0.170 40 0 GCABRN Nc1cc(-c2cncnc2[C@@H]2CCN(S(=O)(=O)N3CCOCC3)C2)ccn1 ZINC000257260942 206167858 /nfs/dbraw/zinc/16/78/58/206167858.db2.gz LFDUZXJYTCOLLH-CQSZACIVSA-N 0 0 390.469 0.487 40 0 GCABRN CCS(=O)(=O)CCN1Cc2ncn(C)c2[C@H](C(=O)N2CC(F)(F)C2)C1 ZINC000306141495 206206255 /nfs/dbraw/zinc/20/62/55/206206255.db2.gz VXZCAGQIIRQLCX-LLVKDONJSA-N 0 0 376.429 0.232 40 0 GCABRN COCCNC(=O)c1cn2c(nc1=O)C1(CC2)CCN(C(=O)NC(C)C)CC1 ZINC000306123632 206196159 /nfs/dbraw/zinc/19/61/59/206196159.db2.gz ASNVDXMPKBVTRN-UHFFFAOYSA-N 0 0 391.472 0.475 40 0 GCABRN CCCS(=O)(=O)N1CC2(C1)[C@@H](COCc1ccccn1)CCS2(=O)=O ZINC000306125115 206196310 /nfs/dbraw/zinc/19/63/10/206196310.db2.gz CHRBLSGZSOQNIB-CQSZACIVSA-N 0 0 388.511 0.827 40 0 GCABRN CC(C)[C@H](C)NC(=O)c1cn2c(nc1=O)[C@@]1(CC2)CCN(S(C)(=O)=O)C1 ZINC000306131862 206200431 /nfs/dbraw/zinc/20/04/31/206200431.db2.gz KRMSHDYSHZAXOK-SJCJKPOMSA-N 0 0 382.486 0.324 40 0 GCABRN CN(C)S(=O)(=O)N1C[C@@H]2Cc3nnc(C(=O)Nc4ccccc4)n3C[C@H]2C1 ZINC000306132220 206201876 /nfs/dbraw/zinc/20/18/76/206201876.db2.gz LCBIMAAHMQZLOH-QWHCGFSZSA-N 0 0 390.469 0.441 40 0 GCABRN C[C@H]1CN(S(=O)(=O)c2cccc(C(=O)O[C@@H]3CCOC3=O)c2)C[C@H](C)O1 ZINC000007562191 211586102 /nfs/dbraw/zinc/58/61/02/211586102.db2.gz AJZNPYAUOHWYHG-SLEUVZQESA-N 0 0 383.422 0.957 40 0 GCABRN C[C@@H]1CCC[C@H](NC(=O)CSc2nc3c([nH]2)n(C)c(=O)n(C)c3=O)[C@@H]1C ZINC000100986164 211394394 /nfs/dbraw/zinc/39/43/94/211394394.db2.gz DWUBVTFHAOGKPT-MXWKQRLJSA-N 0 0 379.486 0.993 40 0 GCABRN CN(C)C(=O)N1CCN(C)[C@H](c2nnc3ccc(C(=O)NCC4CC4)cn32)C1 ZINC000096268054 211327682 /nfs/dbraw/zinc/32/76/82/211327682.db2.gz FCVHWPFDSCIMII-HNNXBMFYSA-N 0 0 385.472 0.839 40 0 GCABRN CN(C)C(=O)[C@H]1Cn2ccnc2C2(CCN(C(=O)c3cscn3)CC2)O1 ZINC000096263151 211326329 /nfs/dbraw/zinc/32/63/29/211326329.db2.gz YPMIYENRTIQLOA-CYBMUJFWSA-N 0 0 375.454 0.958 40 0 GCABRN CC(C)CCC(=O)N1CC[C@@H]2[C@H](CC1)N(S(C)(=O)=O)CCS2(=O)=O ZINC000096251596 211325526 /nfs/dbraw/zinc/32/55/26/211325526.db2.gz XBTOBESWCUTLFK-UONOGXRCSA-N 0 0 380.532 0.472 40 0 GCABRN CC(C)c1ccc(S(=O)(=O)N2C[C@@H]3[C@H](C2)OCCN3CC(=O)N(C)C)cc1 ZINC000096248698 211325390 /nfs/dbraw/zinc/32/53/90/211325390.db2.gz FSYSWGVQBVVLPH-MSOLQXFVSA-N 0 0 395.525 0.972 40 0 GCABRN CCOC(=O)[C@@]12CN(S(C)(=O)=O)C[C@@H]1CN(Cc1cnn(C)c1)CCC2 ZINC000096055992 211298895 /nfs/dbraw/zinc/29/88/95/211298895.db2.gz JEJLKWXFDHRJLI-RDJZCZTQSA-N 0 0 384.502 0.457 40 0 GCABRN CC(=O)N1CC(=O)N(c2cnn(C)c2)C[C@@]12CCN(C(=O)c1cc(C)on1)C2 ZINC000096050452 211296483 /nfs/dbraw/zinc/29/64/83/211296483.db2.gz BPRSHAKRWPFMJG-SFHVURJKSA-N 0 0 386.412 0.197 40 0 GCABRN COC(=O)CCC(=O)N1CC[C@@H]2CN(Cc3ccncc3)S(=O)(=O)[C@@H]2CC1 ZINC000096145443 211307960 /nfs/dbraw/zinc/30/79/60/211307960.db2.gz JBQJOHXRZCKRDK-HZPDHXFCSA-N 0 0 395.481 0.787 40 0 GCABRN O=C(CN1CC[C@@]2(CCC1=O)NC(=O)c1ccccc1O2)NC[C@@H]1CCCO1 ZINC000072326016 211090688 /nfs/dbraw/zinc/09/06/88/211090688.db2.gz RUFBLEWFMGHEES-XOBRGWDASA-N 0 0 387.436 0.813 40 0 GCABRN COc1ccc(OC)c(S(=O)(=O)N2CCC[C@@H](C(=O)NCCCO)C2)c1 ZINC000408550994 532977198 /nfs/dbraw/zinc/97/71/98/532977198.db2.gz GOXXZXQSNKGWEC-CYBMUJFWSA-N 0 0 386.470 0.603 40 0 GCABRN Cc1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(N4CCOCC4)[nH]c(=O)c32)cc1 ZINC000020674152 210355775 /nfs/dbraw/zinc/35/57/75/210355775.db2.gz NRLWOXKVGZEQKF-ZDUSSCGKSA-N 0 0 383.408 0.979 40 0 GCABRN CCOC(=O)[C@H]1C([O-])=NC(N2CCN(C(=O)OCC)CC2)=[NH+][C@@H]1c1ccco1 ZINC000020637026 210353349 /nfs/dbraw/zinc/35/33/49/210353349.db2.gz QPINWYWYRZQIIU-ZIAGYGMSSA-N 0 0 392.412 0.760 40 0 GCABRN COCCN1C(=O)[C@@H]2[C@H](C1=O)[C@@H]([C@H](C)O)N[C@]21C(=O)Nc2ccc(Cl)cc21 ZINC000020566937 210347824 /nfs/dbraw/zinc/34/78/24/210347824.db2.gz RNCNDEZJKDJMRW-JTJHUGLZSA-N 0 0 393.827 0.088 40 0 GCABRN O=C(CCc1ccc(S(=O)(=O)NC2CC2)cc1)NCCN1CCOCC1 ZINC000019930760 210309018 /nfs/dbraw/zinc/30/90/18/210309018.db2.gz NXZIEWMWGWAQHW-UHFFFAOYSA-N 0 0 381.498 0.508 40 0 GCABRN CNC(=O)c1cc([C@@H]2CN(CC(=O)NCCOC)CCO2)nc2ccccc21 ZINC000019762427 210296260 /nfs/dbraw/zinc/29/62/60/210296260.db2.gz JPYVLPRUJYONKP-SFHVURJKSA-N 0 0 386.452 0.730 40 0 GCABRN O=C(N[C@@H]1CCc2ccc(S(=O)(=O)N3CCOCC3)cc21)c1ccn[nH]1 ZINC000019749568 210293420 /nfs/dbraw/zinc/29/34/20/210293420.db2.gz NPGSZQLHNHCBOP-OAHLLOKOSA-N 0 0 376.438 0.848 40 0 GCABRN NC(=O)c1cncnc1CC1CCN(C(=O)COC[C@H]2CCCCO2)CC1 ZINC000019757057 210293237 /nfs/dbraw/zinc/29/32/37/210293237.db2.gz JBVZMPGRTWPTQB-OAHLLOKOSA-N 0 0 376.457 0.942 40 0 GCABRN Cn1cc(C(=O)N2CC(C(=O)N3CCN(c4ccccc4)CC3)C2)ccc1=O ZINC000019747476 210292057 /nfs/dbraw/zinc/29/20/57/210292057.db2.gz WJPAGTGVPNGNNW-UHFFFAOYSA-N 0 0 380.448 0.806 40 0 GCABRN Cc1nn(C)cc1-c1cc(C(=O)NCCS(=O)(=O)N2CCCCC2)on1 ZINC000019584096 210269775 /nfs/dbraw/zinc/26/97/75/210269775.db2.gz PCZDWOVBQGDOMU-UHFFFAOYSA-N 0 0 381.458 0.929 40 0 GCABRN CN(C)c1ncc2c(cc([C@@H]3CCCN(C(=O)CN4CCCC4=O)C3)[nH]c2=O)n1 ZINC000019585635 210272303 /nfs/dbraw/zinc/27/23/03/210272303.db2.gz REICECKAROGNBL-CYBMUJFWSA-N 0 0 398.467 0.713 40 0 GCABRN CS(=O)(=O)c1cnc2ncnn2c1[C@H]1CCCN(C(=O)[C@@H]2CCCO2)C1 ZINC000012118926 221153045 /nfs/dbraw/zinc/15/30/45/221153045.db2.gz AUJAEBIVYMRTQN-RYUDHWBXSA-N 0 0 379.442 0.413 40 0 GCABRN COc1cccc([C@@]2(O)CC[C@@H]3CN(C(=O)Cn4ccc(=O)[nH]c4=O)C[C@@H]32)c1 ZINC000012121152 221154150 /nfs/dbraw/zinc/15/41/50/221154150.db2.gz XYWUVZMUXRNAGG-PSGMQZRDSA-N 0 0 385.420 0.301 40 0 GCABRN CC(=O)N1CCN(C(=O)Cn2nc3c4ccccc4nc(C(C)C)n3c2=O)CC1 ZINC000012183470 221162918 /nfs/dbraw/zinc/16/29/18/221162918.db2.gz OQNGLMFEQBYIIX-UHFFFAOYSA-N 0 0 396.451 0.858 40 0 GCABRN COc1ccc2cc(C)c3nn(CC(=O)N4CCC(C(N)=O)CC4)c(=O)n3c2c1 ZINC000012181892 221163123 /nfs/dbraw/zinc/16/31/23/221163123.db2.gz IGDHWPKYTZVUOJ-UHFFFAOYSA-N 0 0 397.435 0.690 40 0 GCABRN COC(=O)COc1ccc(S(=O)(=O)NCCCN2CCOCC2)cc1C ZINC000408588097 533563298 /nfs/dbraw/zinc/56/32/98/533563298.db2.gz CHFCNCJZXBTMBB-UHFFFAOYSA-N 0 0 386.470 0.547 40 0 GCABRN CCNC(=S)N1CCNC(=O)[C@@H]1CC(=O)N1CCN(c2ccccc2)CC1 ZINC000010339327 136199260 /nfs/dbraw/zinc/19/92/60/136199260.db2.gz YRGYKQZJIZLOOO-INIZCTEOSA-N 0 0 389.525 0.420 40 0 GCABRN C[C@@H](O)CNC(=O)C(=O)Nc1ccccc1C(=O)NCc1ccc2c(c1)OCO2 ZINC000408709478 533707820 /nfs/dbraw/zinc/70/78/20/533707820.db2.gz BETMIMYJKJGERE-GFCCVEGCSA-N 0 0 399.403 0.781 40 0 GCABRN C[C@@H](Oc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1)C(=O)N1CCOCC1 ZINC000408605764 533938891 /nfs/dbraw/zinc/93/88/91/533938891.db2.gz NKHCJVZTHNMMJZ-ZBFHGGJFSA-N 0 0 398.481 0.770 40 0 GCABRN Cc1ncc(C(=O)N2CCOCC2)c([C@H]2CCCCN2S(=O)(=O)N(C)C)n1 ZINC000019766996 527229799 /nfs/dbraw/zinc/22/97/99/527229799.db2.gz CNPLNFATLFCMSY-OAHLLOKOSA-N 0 0 397.501 0.591 40 0 GCABRN CC(C)CNS(=O)(=O)c1ccc(OCC(=O)NCCN2CCOCC2)cc1 ZINC000408589374 528065886 /nfs/dbraw/zinc/06/58/86/528065886.db2.gz FHJQNPWTHRWFGJ-UHFFFAOYSA-N 0 0 399.513 0.448 40 0 GCABRN O=C(c1ccccc1)N1CC2(C1)CN(C(=O)c1cccnc1)C[C@H]1C[C@@H](O)CN12 ZINC000514290231 560030086 /nfs/dbraw/zinc/03/00/86/560030086.db2.gz VHVNNTFPHTUSFU-RTBURBONSA-N 0 0 392.459 0.867 40 0 biogenic,in-vitro GCABRN COCC(=O)N1CCN2[C@@H](C1)CN(C(=O)c1ccc(Cl)cc1)C[C@@]2(C)CO ZINC000514289949 560030997 /nfs/dbraw/zinc/03/09/97/560030997.db2.gz QVACUICTWCILKX-LPHOPBHVSA-N 0 0 395.887 0.706 40 0 biogenic,in-vitro GCABRN COc1ccccc1C(=O)N1CCN2[C@@H](C1)CN(S(C)(=O)=O)CC2(C)C ZINC000253395955 560040375 /nfs/dbraw/zinc/04/03/75/560040375.db2.gz CUMTVHKMOOQNPN-AWEZNQCLSA-N 0 0 381.498 0.875 40 0 biogenic,in-vitro GCABRN CC(C)NC(=O)NC[C@H]1O[C@@H](CC(=O)NCc2ccc(F)cc2)[C@@H](O)[C@@H]1O ZINC000008643334 560210719 /nfs/dbraw/zinc/21/07/19/560210719.db2.gz YSMQYFAZRNAJBR-XOSAIJSUSA-N 0 0 383.420 0.029 40 0 biogenic,in-vitro GCABRN CCOC(=O)CN1CCC2(CC1)O[C@H](C(=O)NCC1CC1)Cn1ccnc12 ZINC000096080140 570209961 /nfs/dbraw/zinc/20/99/61/570209961.db2.gz BJSFAORAFNXRQY-HNNXBMFYSA-N 0 0 376.457 0.662 40 0 GCABRN COc1cccc(C(=O)N2CCN(C(=O)N(C)C)C[C@]3(CC(=O)N(C)C3)C2)c1 ZINC000096143418 570213375 /nfs/dbraw/zinc/21/33/75/570213375.db2.gz QPPRIJLGIDRALO-FQEVSTJZSA-N 0 0 388.468 0.983 40 0 GCABRN CS(=O)(=O)N1CCC2(CC1)O[C@H](C(=O)N1CCCCC1)Cn1ccnc12 ZINC000096144798 570213506 /nfs/dbraw/zinc/21/35/06/570213506.db2.gz RCNXLKMTDDWTER-AWEZNQCLSA-N 0 0 382.486 0.545 40 0 GCABRN COCCN1C[C@@]23CN(C(=O)c4cccc(OC)c4)C[C@@H](C[C@@H]2S1(=O)=O)O3 ZINC000096146112 570213887 /nfs/dbraw/zinc/21/38/87/570213887.db2.gz XSLFHXZAOVNUFM-RYRKJORJSA-N 0 0 396.465 0.339 40 0 GCABRN Cc1cnc2c(C(=O)N3CCCC[C@H]3CCNS(=O)(=O)N(C)C)cnn2c1 ZINC000019748949 570214736 /nfs/dbraw/zinc/21/47/36/570214736.db2.gz CUSZLNICITUBPX-AWEZNQCLSA-N 0 0 394.501 0.819 40 0 GCABRN Cc1ccc(CN2CC[C@]3(CC(C(=O)NCCN4CCOCC4)=NO3)C2)o1 ZINC000096225690 570220443 /nfs/dbraw/zinc/22/04/43/570220443.db2.gz JZUKNODPQDQYSS-IBGZPJMESA-N 0 0 376.457 0.757 40 0 GCABRN O=C(NCC1CC1)[C@@H]1Cn2ccnc2C2(CCN(C(=O)[C@@H]3CCOC3)CC2)O1 ZINC000096243627 570223115 /nfs/dbraw/zinc/22/31/15/570223115.db2.gz BYKCFCQIORGIMW-CVEARBPZSA-N 0 0 388.468 0.662 40 0 GCABRN O=C([C@@H]1CCS(=O)(=O)[C@@H]2CN(Cc3ccc(F)cc3)C[C@@H]21)N1CCOCC1 ZINC000096251023 570224565 /nfs/dbraw/zinc/22/45/65/570224565.db2.gz YDPXAPHTKVRUKL-KZNAEPCWSA-N 0 0 396.484 0.920 40 0 GCABRN CNC(=O)[C@H]1Cn2ccnc2C2(CCN(S(=O)(=O)c3cccnc3)CC2)O1 ZINC000096263037 570226498 /nfs/dbraw/zinc/22/64/98/570226498.db2.gz SLNDKWLTGKJNKO-CQSZACIVSA-N 0 0 391.453 0.103 40 0 GCABRN CCS(=O)(=O)N1CCC2(CC1)O[C@@H](C(=O)NCC(C)C)Cn1ccnc12 ZINC000096263082 570226640 /nfs/dbraw/zinc/22/66/40/570226640.db2.gz DHGKBSOMKLOMPZ-CQSZACIVSA-N 0 0 384.502 0.695 40 0 GCABRN CC(C)CNC(=O)N1C[C@H]2C[C@H]3[C@@](CN(Cc4ccncc4)S3(=O)=O)(C1)O2 ZINC000096264018 570226911 /nfs/dbraw/zinc/22/69/11/570226911.db2.gz AOSHZEMNKRJSCV-RYRKJORJSA-N 0 0 394.497 0.805 40 0 GCABRN Cc1ccccc1NC(=O)[C@H]1CC(=O)Nc2nc(N3CCOCC3)[nH]c(=O)c21 ZINC000019961066 570233824 /nfs/dbraw/zinc/23/38/24/570233824.db2.gz JOLHJFDVBAHKHJ-LBPRGKRZSA-N 0 0 383.408 0.979 40 0 GCABRN NC(=O)C[C@]1(COc2ccc(F)cc2)CN(C(=O)c2cccc(N)n2)CCO1 ZINC000585282980 570250851 /nfs/dbraw/zinc/25/08/51/570250851.db2.gz LDNLUJLDLDFYIZ-LJQANCHMSA-N 0 0 388.399 0.969 40 0 GCABRN NC(=O)C[C@@]1(COc2ccc(F)cc2)CN(C(=O)Cn2ccnc2)CCO1 ZINC000585283978 570252225 /nfs/dbraw/zinc/25/22/25/570252225.db2.gz PYXLXQAWVDCUQJ-SFHVURJKSA-N 0 0 376.388 0.574 40 0 GCABRN Cn1nccc1/C=C/C(=O)N1CC[C@@](C)(O)[C@H](n2cnc3c2ncnc3N)C1 ZINC000585289329 570257322 /nfs/dbraw/zinc/25/73/22/570257322.db2.gz IFJKQVOATLOAOJ-JSAGRGGKSA-N 0 0 382.428 0.380 40 0 GCABRN Cc1nn(C)c(C)c1/C=C/C(=O)N(C)[C@@H]1CCC[C@@H](N2CCNC(=O)C2)[C@@H]1O ZINC000585290748 570259479 /nfs/dbraw/zinc/25/94/79/570259479.db2.gz WPINYHYBPMHJAG-ARAPHVRHSA-N 0 0 389.500 0.222 40 0 GCABRN CC(=O)OCC1(CC(=O)N2CCOCC2)CCN(C(=O)c2ccon2)CC1 ZINC000585294135 570263415 /nfs/dbraw/zinc/26/34/15/570263415.db2.gz QCSOFWVHBILEME-UHFFFAOYSA-N 0 0 379.413 0.709 40 0 GCABRN NC(=O)[C@H]1CCCN1C(=O)[C@H]1CC[C@H](Cn2c(=O)[nH]c3ccccc3c2=O)CC1 ZINC000101628398 570277025 /nfs/dbraw/zinc/27/70/25/570277025.db2.gz UIRAGAILGNRDEH-JKIFEVAISA-N 0 0 398.463 0.973 40 0 GCABRN C[C@@H]1CCC[C@@H](NC(=O)CSc2nc3c([nH]2)n(C)c(=O)n(C)c3=O)[C@@H]1C ZINC000100986169 570280301 /nfs/dbraw/zinc/28/03/01/570280301.db2.gz DWUBVTFHAOGKPT-GMTAPVOTSA-N 0 0 379.486 0.993 40 0 GCABRN CC(=O)OC(OC(C)=O)[C@@]12C=C[C@@H](O1)[C@H]1C(=O)N(Cc3ccco3)C(=O)[C@H]12 ZINC000003059194 570299546 /nfs/dbraw/zinc/29/95/46/570299546.db2.gz WYAXTVOEWSIHGZ-ZXTQRBJTSA-N 0 0 375.333 0.541 40 0 GCABRN COC(=O)[C@H]1[C@H](c2ccco2)N[C@@H](c2ccco2)[C@@H](C(=O)OC)S1(=O)=O ZINC000575410844 570302419 /nfs/dbraw/zinc/30/24/19/570302419.db2.gz NEBMSDWSLGDASG-XDQVBPFNSA-N 0 0 383.378 0.756 40 0 GCABRN COCCN1Cc2c(C(=O)NC3CC3)ncn2-c2ccccc2S1(=O)=O ZINC000105542043 570305071 /nfs/dbraw/zinc/30/50/71/570305071.db2.gz KMUSDLXCTVMXNM-UHFFFAOYSA-N 0 0 376.438 0.915 40 0 GCABRN O=C(NCCc1ccc(S(=O)(=O)N2CCCC2)cc1)C(=O)N1CCCC1 ZINC000022228529 570308046 /nfs/dbraw/zinc/30/80/46/570308046.db2.gz HPIJZDPDIFVWFQ-UHFFFAOYSA-N 0 0 379.482 0.752 40 0 GCABRN CC[C@@H](C)NC(=O)C(=O)NCCc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000022229501 570308075 /nfs/dbraw/zinc/30/80/75/570308075.db2.gz CDBOEKXNMGXODQ-CQSZACIVSA-N 0 0 397.497 0.281 40 0 GCABRN COCCN1C(=O)[C@@H]2[C@H](C1=O)[C@@H]([C@@H](C)O)N[C@]21C(=O)Nc2c1cccc2Cl ZINC000016022312 570308454 /nfs/dbraw/zinc/30/84/54/570308454.db2.gz BUONQAWZMCXZSY-GJWJFNAASA-N 0 0 393.827 0.088 40 0 GCABRN Cn1cncc1CN1CC2(C1)CN(C(=O)c1ccccc1F)C[C@@H]1COCCN12 ZINC000604381644 570352587 /nfs/dbraw/zinc/35/25/87/570352587.db2.gz IZBNLWFMQBKEDG-QGZVFWFLSA-N 0 0 399.470 0.970 40 0 biogenic,in-vitro GCABRN CCOc1ccc(S(=O)(=O)N[C@H](C)C(=O)N2CCC(C(N)=O)CC2)cc1C ZINC000408617862 570364873 /nfs/dbraw/zinc/36/48/73/570364873.db2.gz DSAGNGXHJUXTTJ-CYBMUJFWSA-N 0 0 397.497 0.784 40 0 GCABRN CC(C)C[C@H](NC(=O)[C@H]1CCCN1C(=O)OC(C)(C)C)C(=O)NCC(N)=O ZINC000004354367 570370347 /nfs/dbraw/zinc/37/03/47/570370347.db2.gz MZKJRCQSMFAOCW-QWHCGFSZSA-N 0 0 384.477 0.518 40 0 GCABRN CC(C)Oc1cccc(N(CC(=O)NCCN2CCOCC2)S(C)(=O)=O)c1 ZINC000220108553 570382158 /nfs/dbraw/zinc/38/21/58/570382158.db2.gz BNPBTWWUWBQLJZ-UHFFFAOYSA-N 0 0 399.513 0.688 40 0 GCABRN CCc1ccc(N([C@H](C)C(=O)NCCN2CCOCC2)S(C)(=O)=O)cc1 ZINC000220280671 570384192 /nfs/dbraw/zinc/38/41/92/570384192.db2.gz BZBHDQMMIVFUQY-OAHLLOKOSA-N 0 0 383.514 0.852 40 0 GCABRN OC[C@@H]1O[C@@H](n2cnc3c2ncnc3SCc2ccccn2)[C@H](O)[C@@H]1O ZINC000004823427 570408806 /nfs/dbraw/zinc/40/88/06/570408806.db2.gz MYLPTWRLZBDWTN-MZXFEWSRSA-N 0 0 375.410 0.125 40 0 GCABRN COc1ccc(OC)c(-n2c(=O)[nH]c(C(=O)[O-])c(C[NH+]3CCCC3)c2=O)c1 ZINC000222673987 570420136 /nfs/dbraw/zinc/42/01/36/570420136.db2.gz OOHQUAANTJVNHF-UHFFFAOYSA-N 0 0 375.381 0.837 40 0 GCABRN O=C(O[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1Oc1ccccc1CO)c1ccccc1 ZINC000015657775 570421761 /nfs/dbraw/zinc/42/17/61/570421761.db2.gz FWPNCAYVELBDRB-BFMVXSJESA-N 0 0 390.388 0.222 40 0 GCABRN CO[C@@H]1O[C@H]([C@H](OC(C)=O)[C@@H](C)OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000005047999 570425880 /nfs/dbraw/zinc/42/58/80/570425880.db2.gz SNCROMAUUJJJEB-OGJIRTNDSA-N 0 0 376.358 0.104 40 0 GCABRN CCOC(=O)Cn1c(=O)c2c(nc3n2CCN3c2ccccc2OC)n(C)c1=O ZINC000005083297 570428609 /nfs/dbraw/zinc/42/86/09/570428609.db2.gz NIMRGQAMZJGPLE-UHFFFAOYSA-N 0 0 399.407 0.620 40 0 GCABRN O=C(OC[C@@H]1O[C@@H](Oc2ccccc2CO)[C@@H](O)[C@@H](O)[C@@H]1O)c1ccccc1 ZINC000005083210 570428669 /nfs/dbraw/zinc/42/86/69/570428669.db2.gz HHSKNLJWHGXWPK-MUPNANLLSA-N 0 0 390.388 0.222 40 0 GCABRN C[C@@H](O)[C@H]1C(=O)N2C(C(=O)OC[C@@H]3OC(=O)O[C@@H]3C)=C([C@H]3CCCO3)S[C@H]12 ZINC000026892088 570429709 /nfs/dbraw/zinc/42/97/09/570429709.db2.gz MVHHCXACTDXCAC-CBGCMOINSA-N 0 0 399.421 0.756 40 0 GCABRN Cc1cc(S(=O)(=O)NC2CC2)ccc1OCC(=O)N1CCC(C(N)=O)CC1 ZINC000223056639 570440730 /nfs/dbraw/zinc/44/07/30/570440730.db2.gz JOWTWZMEGOKWCJ-UHFFFAOYSA-N 0 0 395.481 0.538 40 0 GCABRN CCS(=O)(=O)N1C[C@H](C(=O)N2CCC(C(N)=O)CC2)Oc2ccccc21 ZINC000026112642 570449786 /nfs/dbraw/zinc/44/97/86/570449786.db2.gz YVCKOSOEVZKMBC-OAHLLOKOSA-N 0 0 381.454 0.328 40 0 GCABRN OC[C@@H](O)[C@@H](O)[C@@H](O)[C@@H](O)C(OCc1ccccc1)OCc1ccccc1 ZINC000005699605 570451829 /nfs/dbraw/zinc/45/18/29/570451829.db2.gz YMTLBGVCGZMOLY-NCXUSEDFSA-N 0 0 378.421 0.182 40 0 GCABRN Cc1cc(=O)oc2cc(NC(=O)[C@H]3CCC(=O)N3C(=O)[C@@H]3CCC(=O)N3)ccc12 ZINC000005792748 570456909 /nfs/dbraw/zinc/45/69/09/570456909.db2.gz SHGOIFDEBDGGCG-UONOGXRCSA-N 0 0 397.387 0.836 40 0 GCABRN COc1ccc(S(=O)(=O)NCCCn2ccnc2)cc1N1C(=O)CCC1=O ZINC000223553223 570471079 /nfs/dbraw/zinc/47/10/79/570471079.db2.gz ACUJXROUCVSJEH-UHFFFAOYSA-N 0 0 392.437 0.914 40 0 GCABRN COCCNC(=O)CCc1cc(S(=O)(=O)N2CCOCC2)ccc1OC ZINC000223888254 570488728 /nfs/dbraw/zinc/48/87/28/570488728.db2.gz UWFPKXMCAYIDLG-UHFFFAOYSA-N 0 0 386.470 0.411 40 0 GCABRN Cc1oc(=O)oc1COC(=O)C1=C([C@H]2CCCO2)S[C@H]2[C@@H]([C@@H](C)O)C(=O)N12 ZINC000200247111 570494392 /nfs/dbraw/zinc/49/43/92/570494392.db2.gz JQBKWZPHJOEQAO-FEJOFABCSA-N 0 0 397.405 0.887 40 0 GCABRN OC[C@@H]1O[C@H](n2cnc3c2ncnc3NCc2ccccc2Cl)[C@@H](O)[C@H]1O ZINC000027411672 570496001 /nfs/dbraw/zinc/49/60/01/570496001.db2.gz AIFYZXYYAFRRQV-MJFSBKNWSA-N 0 0 391.815 0.703 40 0 GCABRN CS(=O)(=O)N1CC[C@@H](C(=O)NCCN2CCOCC2)Oc2ccccc21 ZINC000030944441 570501838 /nfs/dbraw/zinc/50/18/38/570501838.db2.gz WJBNXMAALAFQOK-INIZCTEOSA-N 0 0 383.470 0.052 40 0 GCABRN CNC(=O)[C@H]1COC2(CN(C(=O)c3ccc4c(c3)COC4)C2)CN1CC1CC1 ZINC000575406950 570522891 /nfs/dbraw/zinc/52/28/91/570522891.db2.gz ZARQMMSKUNCIRK-GOSISDBHSA-N 0 0 385.464 0.768 40 0 GCABRN CCS[C@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1NC(C)=O ZINC000033358921 570525917 /nfs/dbraw/zinc/52/59/17/570525917.db2.gz BHOPGYBLLSFEGH-OXGONZEZSA-N 0 0 391.442 0.396 40 0 GCABRN COc1ccc(S(=O)(=O)N2C(=O)CC[C@H]2C(=O)N2CCOCC2)cc1C ZINC000028210104 570532214 /nfs/dbraw/zinc/53/22/14/570532214.db2.gz YZBOKBGOPRUVNJ-AWEZNQCLSA-N 0 0 382.438 0.542 40 0 GCABRN C[C@@H]1CCC[C@@H](C)N1C(=O)CSc1nc2c(c(=O)n(C)c(=O)n2C)n1C ZINC000000928654 570539294 /nfs/dbraw/zinc/53/92/94/570539294.db2.gz VKQZTYJZTDECDD-GHMZBOCLSA-N 0 0 379.486 0.852 40 0 GCABRN COc1cccc(NC(=O)CSc2nc3c(c(=O)n(C)c(=O)n3C)n2C)c1 ZINC000000928648 570539338 /nfs/dbraw/zinc/53/93/38/570539338.db2.gz SWYFBDASJGNZJS-UHFFFAOYSA-N 0 0 389.437 0.710 40 0 GCABRN COC(=O)[C@@H]1[C@H](c2ccccc2)[C@H](C(=O)OC)[C@](C)(O)C[C@@]12NNC(=S)N2 ZINC000035323715 570551590 /nfs/dbraw/zinc/55/15/90/570551590.db2.gz JAOODCGAHPLYJW-QQCQHEPOSA-N 0 0 393.465 0.182 40 0 GCABRN COC(=O)[C@@H]1[C@H](c2ccccc2)[C@H](C(=O)OC)[C@@](C)(O)C[C@@]12NNC(=S)N2 ZINC000035323712 570551710 /nfs/dbraw/zinc/55/17/10/570551710.db2.gz JAOODCGAHPLYJW-AVKPWTQGSA-N 0 0 393.465 0.182 40 0 GCABRN CS(=O)(=O)N(CC(=O)NCCCN1CCOCC1)Cc1ccccc1F ZINC000225174739 570553333 /nfs/dbraw/zinc/55/33/33/570553333.db2.gz VSHAMZSIUGIAID-UHFFFAOYSA-N 0 0 387.477 0.426 40 0 GCABRN CCOc1cc(S(=O)(=O)NC[C@H]2CCCO2)c(OCC)cc1-n1cnnn1 ZINC000001325357 570566289 /nfs/dbraw/zinc/56/62/89/570566289.db2.gz OFVRNXKUOKRVPX-GFCCVEGCSA-N 0 0 397.457 0.917 40 0 GCABRN COC(=O)[C@H]1C([O-])=NC(N2CCN(c3ccccn3)CC2)=[NH+][C@H]1c1ccco1 ZINC000010157569 570566310 /nfs/dbraw/zinc/56/63/10/570566310.db2.gz VNPUUKBDJJWLGJ-CVEARBPZSA-N 0 0 383.408 0.813 40 0 GCABRN O=C(COc1ccccc1)Nc1ncnc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1 ZINC000028631708 570578163 /nfs/dbraw/zinc/57/81/63/570578163.db2.gz HWSKJANFAKYDDL-GZBFAFLISA-N 0 0 385.380 0.485 40 0 GCABRN O=C(Nc1cccc(F)c1)[C@@H]1CC(=O)Nc2nc(N3CCOCC3)[nH]c(=O)c21 ZINC000038828115 570583684 /nfs/dbraw/zinc/58/36/84/570583684.db2.gz QYXINWHLZREKIH-GFCCVEGCSA-N 0 0 387.371 0.810 40 0 GCABRN COCCNC(=O)c1cn(C[C@@H]2CCCN(C(=O)c3cscn3)C2)nn1 ZINC000012141949 570615002 /nfs/dbraw/zinc/61/50/02/570615002.db2.gz IYNUQPSAFQWRNV-GFCCVEGCSA-N 0 0 378.458 0.663 40 0 GCABRN CCn1c(SCC(=O)Nc2cc(C)on2)nc2c1c(=O)n(C)c(=O)n2C ZINC000004102884 570619067 /nfs/dbraw/zinc/61/90/67/570619067.db2.gz FLAZVYZGHZLPQP-UHFFFAOYSA-N 0 0 378.414 0.481 40 0 GCABRN Cn1c(SCC(=O)N2CCc3ccccc3C2)nc2c1c(=O)n(C)c(=O)n2C ZINC000004102843 570619134 /nfs/dbraw/zinc/61/91/34/570619134.db2.gz XKSWXQJCIYWGGM-UHFFFAOYSA-N 0 0 399.476 0.648 40 0 GCABRN CCn1c(SCC(=O)N2CCC[C@@H](C)C2)nc2c1c(=O)n(C)c(=O)n2C ZINC000004161089 570619720 /nfs/dbraw/zinc/61/97/20/570619720.db2.gz JGFCLILUAFBHMN-LLVKDONJSA-N 0 0 379.486 0.804 40 0 GCABRN C=CNc1nc2c(c(=O)n(C)c(=O)n2C)n1C[C@H](O)COc1cccc(C)c1 ZINC000004386220 570627015 /nfs/dbraw/zinc/62/70/15/570627015.db2.gz PJWYASZJHXNJAP-ZDUSSCGKSA-N 0 0 385.424 0.737 40 0 GCABRN COCCN(CC(=O)NC[C@H]1CCCO1)C(=O)CCC(=O)Nc1cc(C)on1 ZINC000004354934 570627364 /nfs/dbraw/zinc/62/73/64/570627364.db2.gz YQRUKMXUYWXJCS-CQSZACIVSA-N 0 0 396.444 0.472 40 0 GCABRN CN(C)S(=O)(=O)N1CCC[C@@H](C(=O)N2CCN(c3ccc(F)cc3)CC2)C1 ZINC000044847262 570635285 /nfs/dbraw/zinc/63/52/85/570635285.db2.gz YVGQEHQNEGCVMA-OAHLLOKOSA-N 0 0 398.504 0.993 40 0 GCABRN CSCC[C@H](NC(=O)[C@H]1CC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)CC1)C(=O)[O-] ZINC000100771547 570710534 /nfs/dbraw/zinc/71/05/34/570710534.db2.gz MGPGJNSYWZXRGF-XGUBFFRZSA-N 0 0 385.530 0.984 40 0 GCABRN CN(C)c1cc(N2CC3(C2)OCC[C@@H]3COCC(=O)N2CCCC2)ncn1 ZINC000248069223 570720546 /nfs/dbraw/zinc/72/05/46/570720546.db2.gz AKZGKWNIBHUXOV-OAHLLOKOSA-N 0 0 375.473 0.777 40 0 GCABRN CCOC(=O)[C@H]1CS[C@H](CC(=O)Nc2ccc3c(c2)OCCO3)C(=O)N1 ZINC000009939438 570777916 /nfs/dbraw/zinc/77/79/16/570777916.db2.gz ULDZFQWNCWGFPE-BXUZGUMPSA-N 0 0 380.422 0.950 40 0 GCABRN Cn1c2ccc(S(=O)(=O)NC[C@H]3C[C@H]4CC[C@@H]3C4)cc2c(=O)n(C)c1=O ZINC000012241685 570804100 /nfs/dbraw/zinc/80/41/00/570804100.db2.gz JUQDYHAWPQOVFF-YNEHKIRRSA-N 0 0 377.466 0.952 40 0 GCABRN CCOC(=O)C1=C(COC(=O)[C@H]2CS[C@]3(C)CCC(=O)N23)NC(=O)N[C@@H]1C ZINC000013141765 570835806 /nfs/dbraw/zinc/83/58/06/570835806.db2.gz ZHZZSPRGEDCAEZ-CINOJJQCSA-N 0 0 397.453 0.502 40 0 GCABRN Cc1cnc(C(=O)N2Cc3cccn3C[C@@H](CCNS(C)(=O)=O)C2)cn1 ZINC000585095286 570921553 /nfs/dbraw/zinc/92/15/53/570921553.db2.gz NMJFQSISEPEOQO-CQSZACIVSA-N 0 0 377.470 0.798 40 0 GCABRN O=C(C[C@H]1CN(C(=O)c2cnccn2)Cc2ccnn21)NCC1CCOCC1 ZINC000585095325 570921802 /nfs/dbraw/zinc/92/18/02/570921802.db2.gz MRSFZTCXFTZFPU-INIZCTEOSA-N 0 0 384.440 0.803 40 0 GCABRN O=C(C[C@H]1CN(S(=O)(=O)c2cccnc2)Cc2ccnn21)N1CCCCO1 ZINC000585095712 570922322 /nfs/dbraw/zinc/92/23/22/570922322.db2.gz FFOBDUYDBWGCQN-HNNXBMFYSA-N 0 0 391.453 0.968 40 0 GCABRN O=C(NCCN1CCNC1=O)C1=NO[C@@]2(C1)CCCN(Cc1ccccn1)C2 ZINC000585101323 570926742 /nfs/dbraw/zinc/92/67/42/570926742.db2.gz YCSRZNWBZMQBEZ-LJQANCHMSA-N 0 0 386.456 0.334 40 0 GCABRN Cc1snnc1C(=O)N1CC[C@H]2O[C@@H](COCCN3CCOCC3)CC[C@H]21 ZINC000585108453 570940162 /nfs/dbraw/zinc/94/01/62/570940162.db2.gz OQYLOJKTCUSEDI-BZUAXINKSA-N 0 0 396.513 0.957 40 0 GCABRN Cn1ccc(CC(=O)N2CC[C@H]3O[C@@H](C(=O)NCc4cccnc4)CC[C@H]32)n1 ZINC000585108715 570940611 /nfs/dbraw/zinc/94/06/11/570940611.db2.gz HNBMGUBDUZMAJW-KZNAEPCWSA-N 0 0 383.452 0.823 40 0 GCABRN CN1CCN(C(=O)C[C@@H]2C[C@H]3CN(C(=O)c4ccnc(F)c4)C[C@H]3O2)CC1 ZINC000585109424 570941495 /nfs/dbraw/zinc/94/14/95/570941495.db2.gz OLNFDXWTPJEHLR-HRCADAONSA-N 0 0 376.432 0.614 40 0 GCABRN Cc1cc(CN2Cc3ccnn3[C@@H](CCNS(=O)(=O)C3CC3)C2)n(C)n1 ZINC000585111732 570942324 /nfs/dbraw/zinc/94/23/24/570942324.db2.gz AAOIVWOLTYYRFJ-HNNXBMFYSA-N 0 0 378.502 0.954 40 0 GCABRN Cc1cc(CN2Cc3ccnn3[C@H](CCNS(=O)(=O)C3CC3)C2)n(C)n1 ZINC000585111733 570942476 /nfs/dbraw/zinc/94/24/76/570942476.db2.gz AAOIVWOLTYYRFJ-OAHLLOKOSA-N 0 0 378.502 0.954 40 0 GCABRN CCCS(=O)(=O)N1Cc2ccnn2[C@@H](CCNC(=O)c2cnccn2)C1 ZINC000585112383 570942884 /nfs/dbraw/zinc/94/28/84/570942884.db2.gz OMKLCQYXRCLXCE-ZDUSSCGKSA-N 0 0 378.458 0.590 40 0 GCABRN Cc1snnc1C(=O)N1CCOC[C@@]2(CCN(Cc3nccn3C)C2)C1 ZINC000585113559 570943657 /nfs/dbraw/zinc/94/36/57/570943657.db2.gz QPLYCWOAZBIPOQ-QGZVFWFLSA-N 0 0 376.486 0.945 40 0 GCABRN CCn1ncc(N2C(=O)[C@H]3[C@@H]4CC[C@@H](O4)[C@H]3C2=O)c1C(=O)Nc1cnn(C)c1C ZINC000002730992 570949997 /nfs/dbraw/zinc/94/99/97/570949997.db2.gz RXPBIVTWLKPDDB-NMWPEEMBSA-N 0 0 398.423 0.864 40 0 GCABRN O=C(C1CC1)N1CCc2c(=O)[nH]c([C@H]3CCN(C(=O)[C@H]4CCCO4)C3)nc2C1 ZINC000019014487 570954159 /nfs/dbraw/zinc/95/41/59/570954159.db2.gz FZYOPWFPPFIVCC-XJKSGUPXSA-N 0 0 386.452 0.972 40 0 GCABRN CC(=O)N1CCc2nc([C@@H]3CCCCN3C(=O)[C@@H]3CC(=O)N(C)C3)ncc2C1 ZINC000019018162 570954549 /nfs/dbraw/zinc/95/45/49/570954549.db2.gz ZNQMXBUWYGICHQ-PBHICJAKSA-N 0 0 385.468 0.913 40 0 GCABRN CN1CCN(N2Cn3c4ccccc4nc3N(CCN3CCOCC3)C2)CC1 ZINC000019172400 570959388 /nfs/dbraw/zinc/95/93/88/570959388.db2.gz LLUICSVPAFVUNS-UHFFFAOYSA-N 0 0 385.516 0.568 40 0 GCABRN O=C([C@@H]1CCS(=O)(=O)C1)N1CCC[C@@H]1c1nc(-c2ccccn2)cc(=O)[nH]1 ZINC000019402448 570982913 /nfs/dbraw/zinc/98/29/13/570982913.db2.gz XKZYIVYZQNBVPK-IUODEOHRSA-N 0 0 388.449 0.930 40 0 GCABRN CCC(=O)N1CCC(c2nc(N3CCOCC3)ncc2S(C)(=O)=O)CC1 ZINC000019498533 570991238 /nfs/dbraw/zinc/99/12/38/570991238.db2.gz QYJVFKXDQOYRQT-UHFFFAOYSA-N 0 0 382.486 0.833 40 0 GCABRN CCC(=O)N1CCC(c2nc(N3CCN(C)CC3)ncc2S(C)(=O)=O)CC1 ZINC000019498532 570991303 /nfs/dbraw/zinc/99/13/03/570991303.db2.gz XMTGXDWZMJLEOQ-UHFFFAOYSA-N 0 0 395.529 0.748 40 0 GCABRN CCN1C[C@H](C(=O)N2CCC[C@@H]2c2ncc3c(n2)CCN(C(C)=O)C3)CC1=O ZINC000019526920 570997699 /nfs/dbraw/zinc/99/76/99/570997699.db2.gz LCMRPHCCNOZERN-RHSMWYFYSA-N 0 0 385.468 0.913 40 0 GCABRN Cc1nc(N(C)C)ncc1C(=O)N1CC(=O)N(CCc2ccccc2)C(=O)C1 ZINC000019552696 571002047 /nfs/dbraw/zinc/00/20/47/571002047.db2.gz URFMPXCEDUBBDT-UHFFFAOYSA-N 0 0 381.436 0.905 40 0 GCABRN C[C@@H](Cc1ccccc1)Nc1ncnc2c1ncn2[C@H]1O[C@@H](CO)[C@H](O)[C@@H]1O ZINC000002516020 581091478 /nfs/dbraw/zinc/09/14/78/581091478.db2.gz RIRGCFBBHQEQQH-BCGHXZKZSA-N 0 0 385.424 0.481 40 0 GCABRN C[C@@H]1CC[C@@H]2C(C(=O)O[C@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)=C[C@]3(O)CC(C)(C)C[C@@]123 ZINC001772591806 1186781252 /nfs/dbraw/zinc/78/12/52/1186781252.db2.gz QEZOAVXNNSLPOZ-ZCFVAQCKSA-N 0 0 396.480 0.881 40 0 GCABRN CCC(=O)N1CCN2CC(=O)Nc3cc(-c4ncnn4C)ccc3OC[C@H]2C1 ZINC001772594480 1187020194 /nfs/dbraw/zinc/02/01/94/1187020194.db2.gz DUOMJFVNBFXMKO-CQSZACIVSA-N 0 0 384.440 0.736 40 0 GCABRN CC(=O)N[C@@H]1[C@H](Oc2cccc3ccccc32)O[C@H](CO)[C@@H](O)[C@H]1OC(C)=O ZINC000242425493 1199664702 /nfs/dbraw/zinc/66/47/02/1199664702.db2.gz BLLDREJCXJOWEZ-UJMXGEILSA-N 0 0 389.404 0.733 40 0 GCABRN COCC(=O)N1CCO[C@@H](c2cc(C(=O)N(C)CCO)c3ccccc3n2)C1 ZINC000019762785 1199840552 /nfs/dbraw/zinc/84/05/52/1199840552.db2.gz CFQWAOCOWYLEML-GOSISDBHSA-N 0 0 387.436 0.845 40 0 GCABRN COCC(=O)NCc1cnc2cc(C)nn2c1C1CCN(C(=O)COC)CC1 ZINC000019743526 1199840604 /nfs/dbraw/zinc/84/06/04/1199840604.db2.gz PEAGEBYVNBTUJV-UHFFFAOYSA-N 0 0 389.456 0.653 40 0 GCABRN Cc1nonc1CN1CCN(CC(=O)N2CCC[C@H](c3csnn3)C2)CC1 ZINC000019559167 210264576 /nfs/dbraw/zinc/26/45/76/210264576.db2.gz BHJSLOJUCLUMCC-AWEZNQCLSA-N 0 0 391.501 0.753 40 0 GCABRN COCCNS(=O)(=O)c1ccc(OCC(=O)NCc2cccnc2)cc1 ZINC000408611534 231079963 /nfs/dbraw/zinc/07/99/63/231079963.db2.gz XJEKVLPNUDKDAW-UHFFFAOYSA-N 0 0 379.438 0.702 40 0 GCABRN C[C@H](Oc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1)C(=O)N1CCOCC1 ZINC000408605757 231077667 /nfs/dbraw/zinc/07/76/67/231077667.db2.gz NKHCJVZTHNMMJZ-GOEBONIOSA-N 0 0 398.481 0.770 40 0 GCABRN O=C(Cc1n[nH]c(=O)c2ccccc12)NCCn1nnn(-c2ccccc2)c1=O ZINC000019374415 210246755 /nfs/dbraw/zinc/24/67/55/210246755.db2.gz SQAILQFSNIJEHV-UHFFFAOYSA-N 0 0 391.391 0.024 40 0 GCABRN Cc1cc(S(=O)(=O)NCc2ccccc2)ccc1OCC(=O)NCCO ZINC000409392671 231200306 /nfs/dbraw/zinc/20/03/06/231200306.db2.gz SSOUSQQTWHJDCL-UHFFFAOYSA-N 0 0 378.450 0.961 40 0 GCABRN Cc1nccn1CCCC(=O)N1CCN(S(=O)(=O)N2CCCCC2)CC1 ZINC000019288105 210238708 /nfs/dbraw/zinc/23/87/08/210238708.db2.gz QETJBXHWROGLSJ-UHFFFAOYSA-N 0 0 383.518 0.847 40 0 GCABRN CNC(=O)[C@@H]1CN(C(=O)c2cnc(C)cn2)C[C@H]1c1ccnc(N2CCCC2)n1 ZINC000019238941 210236300 /nfs/dbraw/zinc/23/63/00/210236300.db2.gz NCVYTLKHAWORNK-HUUCEWRRSA-N 0 0 395.467 0.777 40 0 GCABRN COC[C@H](C)NC(=O)CN1CC[C@@]2(CCC1=O)NC(=O)c1cc(C)ccc1O2 ZINC000019218783 210231123 /nfs/dbraw/zinc/23/11/23/210231123.db2.gz PJQWYJATTRAOSP-XOBRGWDASA-N 0 0 389.452 0.977 40 0 GCABRN C[C@H](C(=O)NCCn1nnn(-c2cccs2)c1=O)n1nnc2ccccc21 ZINC000019080215 210223546 /nfs/dbraw/zinc/22/35/46/210223546.db2.gz WAOYPCYJORSRJH-LLVKDONJSA-N 0 0 384.425 0.613 40 0 GCABRN COC(=O)C1(C(=O)OC)O[C@H](c2ccc(OC)cc2)[C@H]2C(=O)N(C)C(=O)[C@H]21 ZINC000017142621 210206060 /nfs/dbraw/zinc/20/60/60/210206060.db2.gz BABFQGSVMPHVNB-RWMBFGLXSA-N 0 0 377.349 0.082 40 0 GCABRN COC(=O)C1CCN(C(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1 ZINC000015924955 210179670 /nfs/dbraw/zinc/17/96/70/210179670.db2.gz PEHYAMPVYMDDGB-UHFFFAOYSA-N 0 0 396.465 0.733 40 0 GCABRN CN(C)C(=S)S[C@H]1O[C@@H](CO)[C@H](SC(=S)N(C)C)O[C@H]1CO ZINC000005339683 530119647 /nfs/dbraw/zinc/11/96/47/530119647.db2.gz NSWFKRMBCOWTSI-AATLWQCWSA-N 0 0 386.586 0.567 40 0 GCABRN Cn1ccs/c1=N/C(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1F ZINC000012901425 530134787 /nfs/dbraw/zinc/13/47/87/530134787.db2.gz IVZXXHZGGPFKBJ-BMRADRMJSA-N 0 0 385.442 0.988 40 0 GCABRN O=c1[nH]cc(S(=O)(=O)Nc2ccc(I)cc2)c(=O)[nH]1 ZINC000032553901 530167688 /nfs/dbraw/zinc/16/76/88/530167688.db2.gz GNJNUGOJZBSNIG-UHFFFAOYSA-N 0 0 393.162 0.469 40 0 GCABRN COC[C@@H]1CCC2(CCN(C(=O)c3nnsc3C)CC2)N1S(C)(=O)=O ZINC000585103931 530223064 /nfs/dbraw/zinc/22/30/64/530223064.db2.gz WCHWHFNKJTXWBS-LBPRGKRZSA-N 0 0 388.515 0.892 40 0 GCABRN COC[C@@H]1CC2(CN1S(C)(=O)=O)CCN(C(=O)c1nnsc1C)CC2 ZINC000585103430 530223129 /nfs/dbraw/zinc/22/31/29/530223129.db2.gz FKSMRUCAHGJZND-LBPRGKRZSA-N 0 0 388.515 0.749 40 0 GCABRN CCS(=O)(=O)N1CC[C@@H]2[C@H](CC1)N(Cc1cccnc1)CCS2(=O)=O ZINC000096251630 530242582 /nfs/dbraw/zinc/24/25/82/530242582.db2.gz YQLTYFSZHXETFY-JKSUJKDBSA-N 0 0 387.527 0.495 40 0 GCABRN CS(=O)(=O)N(CC(=O)NCCCN1CCOCC1)c1ccccc1Cl ZINC000020567933 530484859 /nfs/dbraw/zinc/48/48/59/530484859.db2.gz QTKOOJWVPAWBKO-UHFFFAOYSA-N 0 0 389.905 0.945 40 0 GCABRN CS(=O)(=O)Nc1ccc(S(=O)(=O)NCCSc2nc[nH]n2)cc1 ZINC000223019594 530503253 /nfs/dbraw/zinc/50/32/53/530503253.db2.gz NDKABPCFOQDTQP-UHFFFAOYSA-N 0 0 377.473 0.247 40 0 GCABRN CSc1ccc(S(=O)(=O)N(C)CC(=O)N2CCC(C(N)=O)CC2)cc1 ZINC000225860804 530508039 /nfs/dbraw/zinc/50/80/39/530508039.db2.gz SUBABEFOVZQMBT-UHFFFAOYSA-N 0 0 385.511 0.753 40 0 GCABRN O=S(=O)(c1ccc(Br)cc1)N(CCO)[C@@H]1CCS(=O)(=O)C1 ZINC000040693024 530508593 /nfs/dbraw/zinc/50/85/93/530508593.db2.gz OMSAJDXMGVUJOB-LLVKDONJSA-N 0 0 398.300 0.619 40 0 GCABRN CN([C@H]1CS(=O)(=O)C[C@H]1O)S(=O)(=O)c1ccc(Br)cc1 ZINC000575421080 530687863 /nfs/dbraw/zinc/68/78/63/530687863.db2.gz HNFZVNVHSITITM-WDEREUQCSA-N 0 0 384.273 0.228 40 0 GCABRN CCOC(=O)N[C@@H]1CS(=O)(=O)C[C@H]1NS(=O)(=O)c1ccc(CC)cc1 ZINC000575420756 530688103 /nfs/dbraw/zinc/68/81/03/530688103.db2.gz KGUMGWILDTYOFA-ZIAGYGMSSA-N 0 0 390.483 0.439 40 0 GCABRN O=S(=O)(c1ccccc1)N([C@@H]1CCS(=O)(=O)C1)[C@H]1CCS(=O)(=O)C1 ZINC000575420333 530688424 /nfs/dbraw/zinc/68/84/24/530688424.db2.gz AWFXEFMKLMOGLW-BETUJISGSA-N 0 0 393.508 0.052 40 0 GCABRN CCOC(=O)N[C@@H]1CS(=O)(=O)C[C@H]1NS(=O)(=O)c1ccc(Cl)cc1 ZINC000575424039 530688441 /nfs/dbraw/zinc/68/84/41/530688441.db2.gz JPKKXFJIIXJHSZ-VXGBXAGGSA-N 0 0 396.874 0.530 40 0 GCABRN O=S1(=O)C[C@@H]2N[C@@H]3CS(=O)(=O)C[C@H]3N(Cc3ccccc3Cl)[C@H]2C1 ZINC000575421539 530688729 /nfs/dbraw/zinc/68/87/29/530688729.db2.gz IYSTZUSYCFDMRV-NMWPEEMBSA-N 0 0 390.914 0.076 40 0 GCABRN Cc1cc(C)c(S(=O)(=O)N([C@H]2CS(=O)(=O)C[C@@H]2O)N(C)C)cc1C ZINC000575422020 530688733 /nfs/dbraw/zinc/68/87/33/530688733.db2.gz LTJPJKXMZORMJI-KBPBESRZSA-N 0 0 376.500 0.237 40 0 GCABRN CCOC(=O)N[C@@H]1CS(=O)(=O)C[C@H]1NS(=O)(=O)c1ccc(F)cc1 ZINC000575424659 530689396 /nfs/dbraw/zinc/68/93/96/530689396.db2.gz VCGNFSITFHOLNW-VXGBXAGGSA-N 0 0 380.419 0.016 40 0 GCABRN COc1ccc(C)cc1S(=O)(=O)N(CCN(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000575424716 530689471 /nfs/dbraw/zinc/68/94/71/530689471.db2.gz WDFKMCWERABOLR-CQSZACIVSA-N 0 0 390.527 0.743 40 0 GCABRN Cc1ccc(C(=O)[O-])cc1S(=O)(=O)N(CC[NH3+])[C@@]1(C)CCS(=O)(=O)C1 ZINC000575426637 530690159 /nfs/dbraw/zinc/69/01/59/530690159.db2.gz XHEQXNLDBJRZRV-HNNXBMFYSA-N 0 0 390.483 0.220 40 0 GCABRN Cc1ccc(S(=O)(=O)N2C[C@@H]3[C@H](C2)OCC(=O)N3Cc2nccn2C)cc1 ZINC000067897653 210100963 /nfs/dbraw/zinc/10/09/63/210100963.db2.gz WTAXCCXKIASBRH-CVEARBPZSA-N 0 0 390.465 0.529 40 0 biogenic,in-vitro GCABRN O[C@H]1[C@H](Oc2c[nH]c3cc(Cl)c(Br)cc23)O[C@H](O)[C@H](O)[C@@H]1O ZINC000390822433 531085831 /nfs/dbraw/zinc/08/58/31/531085831.db2.gz XVRKAVAGZMOBNO-CKIKVBCHSA-N 0 0 394.605 0.720 40 0 GCABRN COC(=O)C1CCN(C(=O)CN(c2ccccc2OC)S(C)(=O)=O)CC1 ZINC000013612049 210073121 /nfs/dbraw/zinc/07/31/21/210073121.db2.gz MKVYJXBNLKJGNA-UHFFFAOYSA-N 0 0 384.454 0.873 40 0 GCABRN CCOC(=O)Cn1c(=O)c2c(nc3n2CCN3Cc2ccccc2)n(C)c1=O ZINC000013115951 210051307 /nfs/dbraw/zinc/05/13/07/210051307.db2.gz HAWHEELOZXKJPB-UHFFFAOYSA-N 0 0 383.408 0.480 40 0 GCABRN O=c1[nH]n(-c2ccc(S(=O)(=O)N3CCOCC3)cc2)c(=O)c2ccccc12 ZINC000006733214 209674154 /nfs/dbraw/zinc/67/41/54/209674154.db2.gz TUANVFMQAYZPBT-UHFFFAOYSA-N 0 0 387.417 0.700 40 0 GCABRN CNC(=O)[C@@H](c1ccccc1OC)N1CCC[C@H]1C(=O)NCCNC(C)=O ZINC000096113099 291100934 /nfs/dbraw/zinc/10/09/34/291100934.db2.gz KKKYLZGMXRTUKP-DOTOQJQBSA-N 0 0 376.457 0.199 40 0 biogenic,in-vitro GCABRN CCS[C@@H]1[C@@H](OC(C)=O)O[C@@H]([C@@H](COC(C)=O)OC(C)=O)[C@@H]1OC(C)=O ZINC000005120801 209571297 /nfs/dbraw/zinc/57/12/97/209571297.db2.gz STZCNEXTAMKTRZ-YXMSTPNBSA-N 0 0 392.426 0.823 40 0 GCABRN COC(=O)[C@H](NC(=O)[C@@H](CO)N1C(=O)c2ccccc2C1=O)c1ccccc1 ZINC000001590917 209334230 /nfs/dbraw/zinc/33/42/30/209334230.db2.gz BMAULSIJZXQEMX-HZPDHXFCSA-N 0 0 382.372 0.674 40 0 GCABRN CCOC(=O)[C@H]1CC(=O)N(c2ccccc2N2CCN(S(C)(=O)=O)CC2)C1 ZINC000057327850 209214164 /nfs/dbraw/zinc/21/41/64/209214164.db2.gz IVMIBAFZHNOINQ-AWEZNQCLSA-N 0 0 395.481 0.684 40 0 GCABRN CCOC(=O)C1=C(C)N=c2s/c(=C\C(=O)OC)c(=O)n2[C@H]1c1ccccc1 ZINC000005235730 212064300 /nfs/dbraw/zinc/06/43/00/212064300.db2.gz WMDAFCBUXSVBMG-DDKJEQMHSA-N 0 0 386.429 0.923 40 0 GCABRN O=C(Nc1ccn([C@@H]2O[C@H](CO)[C@H](O)C2(F)F)c(=O)n1)OCc1ccccc1 ZINC000077285229 212059033 /nfs/dbraw/zinc/05/90/33/212059033.db2.gz KFZMOOGZFANFGH-KWCYVHTRSA-N 0 0 397.334 0.878 40 0 in-vitro GCABRN Cn1ccc(C(=O)N2CCC3(CCc4nnc(C(=O)NC5CC5)n4C3)CC2)n1 ZINC000306133946 212051476 /nfs/dbraw/zinc/05/14/76/212051476.db2.gz MZYLKFZZJHYNON-UHFFFAOYSA-N 0 0 383.456 0.773 40 0 GCABRN CC[C@H](C)CNC(=O)c1cn2c(nc1=O)[C@]1(CC2)CCN(S(C)(=O)=O)C1 ZINC000306132633 212049476 /nfs/dbraw/zinc/04/94/76/212049476.db2.gz LOBJEYVVGQLBRA-YVEFUNNKSA-N 0 0 382.486 0.326 40 0 GCABRN CS(=O)(=O)N1CC[C@@H]2ON=C(N3CCN(Cc4ccccc4)CC3)[C@H]2C1 ZINC000306130936 212048458 /nfs/dbraw/zinc/04/84/58/212048458.db2.gz JSVJBRRUNYZQTG-IRXDYDNUSA-N 0 0 378.498 0.798 40 0 GCABRN CN(C)S(=O)(=O)N1C[C@@H]2Cc3nnc(C(=O)Nc4ccccc4)n3C[C@@H]2C1 ZINC000306132221 212048492 /nfs/dbraw/zinc/04/84/92/212048492.db2.gz LCBIMAAHMQZLOH-STQMWFEESA-N 0 0 390.469 0.441 40 0 GCABRN Cc1nc(C(=O)N2C[C@@H]3Cn4c(nn(CC5CCC5)c(=O)c4=O)[C@@H]3C2)cs1 ZINC000306129058 212047710 /nfs/dbraw/zinc/04/77/10/212047710.db2.gz HSWRNYMPUYMQDG-CHWSQXEVSA-N 0 0 387.465 0.839 40 0 GCABRN Cn1cc(CN2CC[C@@]3(C2)Cn2c(nn(C4CCCC4)c(=O)c2=O)CO3)cn1 ZINC000306129643 212047544 /nfs/dbraw/zinc/04/75/44/212047544.db2.gz IITXXIKJCQCVJT-LJQANCHMSA-N 0 0 386.456 0.429 40 0 GCABRN CCOCc1nn2c(nc(COC(=O)CNC(=O)c3ccco3)cc2=O)s1 ZINC000041077331 212042171 /nfs/dbraw/zinc/04/21/71/212042171.db2.gz FSWZUVRHZCJUMZ-UHFFFAOYSA-N 0 0 392.393 0.754 40 0 GCABRN CNc1ncnc2c1ncn2[C@@H]1CC[C@@H](NC(=O)c2ocnc2C)[C@@H](O)[C@@H]1O ZINC000257315177 212024443 /nfs/dbraw/zinc/02/44/43/212024443.db2.gz VAGKEBCYEKWAKR-FPQZTECRSA-N 0 0 387.400 0.020 40 0 GCABRN Cn1c(=O)c2ccc([C@@H]3CN(C(=O)c4ccncc4)CCO3)nc2n(C)c1=O ZINC000257322328 212024005 /nfs/dbraw/zinc/02/40/05/212024005.db2.gz WFMZYWURYAIAHL-HNNXBMFYSA-N 0 0 381.392 0.241 40 0 GCABRN CC(=O)N1CCN([C@H]2CCN(C(=O)COc3ccccc3C)CC[C@@H]2O)CC1 ZINC000257321406 212024056 /nfs/dbraw/zinc/02/40/56/212024056.db2.gz WBNJOGFPADARPW-OALUTQOASA-N 0 0 389.496 0.890 40 0 GCABRN OC[C@@H]1O[C@@H](Oc2ccc3cc(Br)ccc3c2)[C@H](O)[C@H](O)[C@H]1O ZINC000002539726 203949997 /nfs/dbraw/zinc/94/99/97/203949997.db2.gz NLRXQZJJCPRATR-AALSBFMBSA-N 0 0 385.210 0.781 40 0 in-vitro GCABRN O=C(OC[C@H]1O[C@@H](Oc2ccccc2CO)[C@@H](O)[C@@H](O)[C@H]1O)c1ccccc1 ZINC000005083198 204109441 /nfs/dbraw/zinc/10/94/41/204109441.db2.gz HHSKNLJWHGXWPK-AISVETHESA-N 0 0 390.388 0.222 40 0 GCABRN COC(=O)[C@H]1C([O-])=NC(N2CCN(c3ncccn3)CC2)=[NH+][C@H]1c1ccco1 ZINC000010157565 204331265 /nfs/dbraw/zinc/33/12/65/204331265.db2.gz YTKRDAATJXWKEN-KGLIPLIRSA-N 0 0 384.396 0.208 40 0 GCABRN CS(=O)(=O)Nc1ccc([C@@H](O)[C@H]2COCC(=O)N2Cc2ccccn2)cc1 ZINC000067896756 204300961 /nfs/dbraw/zinc/30/09/61/204300961.db2.gz RWWYLYVOVNZDQS-SJLPKXTDSA-N 0 0 391.449 0.914 40 0 biogenic,in-vitro GCABRN Cc1nn(C)cc1[C@@H]1C[C@@H](C(=O)Nc2cccnc2Cl)N(C)S(=O)(=O)N1 ZINC000012131240 204373772 /nfs/dbraw/zinc/37/37/72/204373772.db2.gz WYPANGDBBIBPBM-STQMWFEESA-N 0 0 398.876 0.995 40 0 GCABRN CCOC(=O)[C@@H](CCSC)NS(=O)(=O)c1ccc2c(c1)NC(=O)CO2 ZINC000012187874 204379285 /nfs/dbraw/zinc/37/92/85/204379285.db2.gz RPUBGARDUAGAMD-LLVKDONJSA-N 0 0 388.467 0.981 40 0 GCABRN COCCN1C(=O)C[C@@H](C(=O)NCCN2CCOCC2)[C@@H]1c1cccc(C)c1 ZINC000257278043 212016238 /nfs/dbraw/zinc/01/62/38/212016238.db2.gz OANCJMCCQNRONL-QUCCMNQESA-N 0 0 389.496 0.979 40 0 GCABRN Nc1cc(-c2cncnc2[C@H]2CCN(S(=O)(=O)N3CCOCC3)C2)ccn1 ZINC000257260941 212012062 /nfs/dbraw/zinc/01/20/62/212012062.db2.gz LFDUZXJYTCOLLH-AWEZNQCLSA-N 0 0 390.469 0.487 40 0 GCABRN CC(=O)N[C@]12CN(S(C)(=O)=O)[C@H](c3ccccc3)[C@H]1CCN(C(C)=O)C2 ZINC000257235237 212009388 /nfs/dbraw/zinc/00/93/88/212009388.db2.gz GWZYRDPZWYJEDP-KZNAEPCWSA-N 0 0 379.482 0.746 40 0 GCABRN COc1ccc(C(=O)N2CCN(C(C)=O)[C@@H](C(N)=O)C2)cc1Cn1cccn1 ZINC000257240451 212009217 /nfs/dbraw/zinc/00/92/17/212009217.db2.gz HTNVMGJTMHGCNQ-MRXNPFEDSA-N 0 0 385.424 0.098 40 0 GCABRN CCN1C(=O)C[C@@H](C(=O)N2CCn3c(CO)nnc3C2)[C@@H]1c1ccc(OC)cc1 ZINC000257201759 212001161 /nfs/dbraw/zinc/00/11/61/212001161.db2.gz AIYAXNLUPAGUOU-BEFAXECRSA-N 0 0 399.451 0.731 40 0 GCABRN Cc1ccccc1OCCNC(=O)[C@H]1CN(C(=O)c2cnc[nH]c2=O)CCN1C ZINC000257228877 212007292 /nfs/dbraw/zinc/00/72/92/212007292.db2.gz FVRBWTLAUGMMFO-MRXNPFEDSA-N 0 0 399.451 0.442 40 0 GCABRN O=C1N[C@@]2(CN(S(=O)(=O)c3cccnc3)C[C@H]2CO)CCc2ccccc21 ZINC000019375524 204641736 /nfs/dbraw/zinc/64/17/36/204641736.db2.gz IQRAYNANPYFHMP-HNAYVOBHSA-N 0 0 387.461 0.809 40 0 GCABRN CCS(=O)(=O)CCN1Cc2ccnn2[C@@H](C(=O)NCc2ccccn2)C1 ZINC000253490600 211992976 /nfs/dbraw/zinc/99/29/76/211992976.db2.gz JJSAYZWZXCSGAL-MRXNPFEDSA-N 0 0 377.470 0.386 40 0 GCABRN CCN(CC)C(=O)C(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000022228506 204776712 /nfs/dbraw/zinc/77/67/12/204776712.db2.gz AYUUOSDCSQIDMH-UHFFFAOYSA-N 0 0 383.470 0.192 40 0 GCABRN O=C(NC[C@H]1OC[C@@H](N(Cc2c[nH]cn2)Cc2c[nH]cn2)[C@@H]1O)C1CCCC1 ZINC000077263735 205035855 /nfs/dbraw/zinc/03/58/55/205035855.db2.gz FNYOHWJQUHMKRM-KURKYZTESA-N 0 0 388.472 0.570 40 0 biogenic,in-vitro GCABRN C[C@@H](NC(=O)[C@@H]1CCCN(S(C)(=O)=O)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000044402084 205084862 /nfs/dbraw/zinc/08/48/62/205084862.db2.gz OJZFBNOAGDMBPR-TZMCWYRMSA-N 0 0 388.511 0.939 40 0 GCABRN COc1ccc(CCNC(=O)[C@@H]2CCCN(S(=O)(=O)N(C)C)C2)cc1OC ZINC000044880782 205087676 /nfs/dbraw/zinc/08/76/76/205087676.db2.gz SSUNZIMNJBWDOO-OAHLLOKOSA-N 0 0 399.513 0.881 40 0 GCABRN Cc1nn(C)cc1[C@H]1C[C@H](C(=O)Nc2cccnc2Cl)N(C)S(=O)(=O)N1 ZINC000072335129 205327800 /nfs/dbraw/zinc/32/78/00/205327800.db2.gz WYPANGDBBIBPBM-CHWSQXEVSA-N 0 0 398.876 0.995 40 0 GCABRN Cc1nn(C)cc1[C@H]1C[C@@H](C(=O)NCc2cccs2)N(C)S(=O)(=O)N1 ZINC000072335172 205327922 /nfs/dbraw/zinc/32/79/22/205327922.db2.gz UKMFUUHRFLSSCR-KGLIPLIRSA-N 0 0 383.499 0.686 40 0 GCABRN CS(=O)(=O)N1CCN(C(=O)c2ccc(Cl)cc2)C[C@@]2(CNC(=O)C2)C1 ZINC000096143303 205530970 /nfs/dbraw/zinc/53/09/70/205530970.db2.gz KFJDIDCTZAIYNM-MRXNPFEDSA-N 0 0 385.873 0.564 40 0 GCABRN CC(C)NC(=O)N1CCN(C(=O)C2CCOCC2)C[C@]2(CC(=O)N(C)C2)C1 ZINC000096036126 205518202 /nfs/dbraw/zinc/51/82/02/205518202.db2.gz GYOVWLOYVRJWLX-LJQANCHMSA-N 0 0 380.489 0.524 40 0 GCABRN CS(=O)(=O)N1CC2(CCN(C(=O)c3cccnc3)CC2)[C@@]2(CCNC2=O)C1 ZINC000096262549 205551711 /nfs/dbraw/zinc/55/17/11/205551711.db2.gz AHBKAAXWGZDAOR-SFHVURJKSA-N 0 0 392.481 0.086 40 0 GCABRN COCCNC(=O)CN(C[C@@H]1CCCO1)C(=O)CCC(=O)Nc1ccccn1 ZINC000004848297 205751621 /nfs/dbraw/zinc/75/16/21/205751621.db2.gz KTCVBLHCGVCKDG-HNNXBMFYSA-N 0 0 392.456 0.571 40 0 GCABRN COC(=O)[C@]1(CCSC)N[C@H](c2ccc(O)cc2)[C@@H]2C(=O)N(C)C(=O)[C@H]21 ZINC000004884163 205754580 /nfs/dbraw/zinc/75/45/80/205754580.db2.gz NUBVHDVGVPFZKT-KYZVSKTDSA-N 0 0 378.450 0.932 40 0 GCABRN COCCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CN(C)S(C)(=O)=O ZINC000222738899 205986193 /nfs/dbraw/zinc/98/61/93/205986193.db2.gz PDPYBNPBFHBCSI-CQSZACIVSA-N 0 0 385.486 0.058 40 0 GCABRN CCCCN1C(=O)[C@@H]2C[C@@H](O)CN2C2(CN(Cc3ccccc3F)C2)C1=O ZINC000225384579 206046203 /nfs/dbraw/zinc/04/62/03/206046203.db2.gz BYSAPGNQXVWRCP-WBVHZDCISA-N 0 0 375.444 0.984 40 0 biogenic,in-vitro GCABRN CC(C)NC(=O)NC[C@H]1O[C@@H]2C[C@@H](CC(=O)N3CCC(F)(F)C3)O[C@@H]2[C@@H]1O ZINC000225519627 206054473 /nfs/dbraw/zinc/05/44/73/206054473.db2.gz PSGIAMLEVXXCPN-PRSHDEELSA-N 0 0 391.415 0.238 40 0 biogenic,in-vitro GCABRN CS(=O)(=O)N[C@@H](CC(=O)NCCN1CCOCC1)c1ccc(Cl)cc1 ZINC000225952910 206085778 /nfs/dbraw/zinc/08/57/78/206085778.db2.gz NEJBDCJEDJQODZ-HNNXBMFYSA-N 0 0 389.905 0.769 40 0 GCABRN CCN(CC(=O)NCCN1CCOCC1)S(=O)(=O)c1cc(C)ccc1C ZINC000225935187 206086050 /nfs/dbraw/zinc/08/60/50/206086050.db2.gz AVMYFUJTBJWNLR-UHFFFAOYSA-N 0 0 383.514 0.762 40 0 GCABRN CS(=O)(=O)N(CCc1ccccc1)CC(=O)NCCSc1nc[nH]n1 ZINC000226039841 206087608 /nfs/dbraw/zinc/08/76/08/206087608.db2.gz TYJQYEQWYBZFLR-UHFFFAOYSA-N 0 0 383.499 0.517 40 0 GCABRN CNC(=O)[C@@H]1COC2(CN(C(=O)c3ccc4c(c3)OCCCO4)C2)CN1C ZINC000248023269 206134751 /nfs/dbraw/zinc/13/47/51/206134751.db2.gz JYIDESPDUJFZSR-AWEZNQCLSA-N 0 0 375.425 0.119 40 0 GCABRN COCCN1C(=O)Cc2c1nc([C@]1(C)CCCN1S(=O)(=O)N(C)C)nc2C ZINC000257210926 206159735 /nfs/dbraw/zinc/15/97/35/206159735.db2.gz BWTALWPZDMQORU-KRWDZBQOSA-N 0 0 397.501 0.438 40 0 GCABRN CNc1ncnc2c1ncn2[C@@H]1CC[C@@H](NC(=O)CC2CCCC2)[C@@H](O)[C@@H]1O ZINC000257274811 206171253 /nfs/dbraw/zinc/17/12/53/206171253.db2.gz NMSZSOFHOXDEFH-BQGCOEIASA-N 0 0 388.472 0.990 40 0 GCABRN Nc1ncc(-c2cccc([C@@H]3CN(C(=O)CCN4CCOCC4)CCO3)n2)cn1 ZINC000257280252 206171318 /nfs/dbraw/zinc/17/13/18/206171318.db2.gz OKBZOMWRYNUSBA-SFHVURJKSA-N 0 0 398.467 0.743 40 0 GCABRN CC(C)(C)OC(=O)N[C@@H]1C[C@@H](O)CN(C(=O)Cn2cc(Cl)cn2)C[C@H]1O ZINC000257280736 206172102 /nfs/dbraw/zinc/17/21/02/206172102.db2.gz OMDLDXMPSKCTDA-JHJVBQTASA-N 0 0 388.852 0.384 40 0 GCABRN CC(=O)N1C[C@@H]2C[C@@]3(C)[C@H](CCCC[C@@H]13)N2C(=O)c1cc(=O)n(C)c(=O)n1C ZINC000257290734 206172539 /nfs/dbraw/zinc/17/25/39/206172539.db2.gz QECDVDNGWRZPMX-NCLAMWEWSA-N 0 0 388.468 0.478 40 0 GCABRN Cc1cccc(C)c1OCC(=O)N(C)[C@@H]1CC[C@@H](N2CCNC(=O)C2)[C@@H]1O ZINC000257287773 206173872 /nfs/dbraw/zinc/17/38/72/206173872.db2.gz PRLIGROGWXQXIQ-GPMSIDNRSA-N 0 0 375.469 0.464 40 0 GCABRN Cn1cncc1C(=O)N[C@@H]1C[C@@H](Oc2ccccc2)[C@H](O)[C@H]1N1CCOCC1 ZINC000257295158 206174890 /nfs/dbraw/zinc/17/48/90/206174890.db2.gz QXEZZBPGUKKPTR-YSHGAJCASA-N 0 0 386.452 0.432 40 0 GCABRN CNC(=O)[C@@H]1CN(C(=O)c2ccc(OC)c(Cn3cccn3)c2)CCN1C(C)=O ZINC000257317795 206178327 /nfs/dbraw/zinc/17/83/27/206178327.db2.gz VLEQFUNIGGDXKC-KRWDZBQOSA-N 0 0 399.451 0.359 40 0 GCABRN Cc1nc2cc(C(=O)N3C[C@@H](O)[C@H](n4cnc5c4ncnc5N)C3)ccc2n1C ZINC000257224963 206162806 /nfs/dbraw/zinc/16/28/06/206162806.db2.gz FEDUJUIYNKPOMA-HUUCEWRRSA-N 0 0 392.423 0.662 40 0 GCABRN Cc1ccccc1OCCNC(=O)[C@@H]1CN(C(=O)c2cnc[nH]c2=O)CCN1C ZINC000257228876 206163079 /nfs/dbraw/zinc/16/30/79/206163079.db2.gz FVRBWTLAUGMMFO-INIZCTEOSA-N 0 0 399.451 0.442 40 0 GCABRN CNC(=O)[C@H]1CN(C(=O)Cn2nc(C(F)(F)F)cc2C)CCN1C(C)=O ZINC000257266138 206168972 /nfs/dbraw/zinc/16/89/72/206168972.db2.gz MBTHNMMQUSYEJF-LLVKDONJSA-N 0 0 375.351 0.016 40 0 GCABRN CCNC(=O)[C@@H]1O[C@H](n2cnc3c2nc(Cl)nc3N)[C@@H]2OC(C)(C)O[C@H]12 ZINC000257351142 206182616 /nfs/dbraw/zinc/18/26/16/206182616.db2.gz CHPHKXXDQSHQKC-LHGDZMGGSA-N 0 0 382.808 0.616 40 0 GCABRN O=C(Cn1cnc2ccccc2c1=O)N1CC[C@H](O)[C@@H](N2CCOCC2)CC1 ZINC000257315355 206178566 /nfs/dbraw/zinc/17/85/66/206178566.db2.gz VAYRUGDRKBHLPU-ROUUACIJSA-N 0 0 386.452 0.081 40 0 GCABRN COc1ccc(CN2CCN(C3=NO[C@H]4CN(S(C)(=O)=O)C[C@H]34)CC2)cc1 ZINC000306139794 206204471 /nfs/dbraw/zinc/20/44/71/206204471.db2.gz UAUZORUDDGRWBU-IRXDYDNUSA-N 0 0 394.497 0.417 40 0 GCABRN CCS(=O)(=O)N1C[C@H]2Cn3c(nnc3C(=O)Nc3ccccc3)C[C@@H]2C1 ZINC000306139727 206206031 /nfs/dbraw/zinc/20/60/31/206206031.db2.gz TYTBXXCZIJLSJD-OLZOCXBDSA-N 0 0 375.454 0.984 40 0 GCABRN Cc1cnc(C(=O)N2C[C@@H]3Cn4c(nn(CC5CCC5)c(=O)c4=O)[C@@H]3C2)cn1 ZINC000306141221 206206846 /nfs/dbraw/zinc/20/68/46/206206846.db2.gz VOOCXMSYWUPVKR-ZIAGYGMSSA-N 0 0 382.424 0.173 40 0 GCABRN COc1ccc(-c2cnc3c(N4CCN(S(C)(=O)=O)CC4)nccn23)cn1 ZINC000306126379 206196509 /nfs/dbraw/zinc/19/65/09/206196509.db2.gz DTXOIJPIRJHSIV-UHFFFAOYSA-N 0 0 388.453 0.882 40 0 GCABRN COc1ccc(CN2Cc3ncnn3C[C@H](C(=O)N3CCN(C)CC3)C2)cc1 ZINC000306125016 206197323 /nfs/dbraw/zinc/19/73/23/206197323.db2.gz CEPWSHVBRNGGNR-QGZVFWFLSA-N 0 0 384.484 0.693 40 0 GCABRN O=C(c1ccccn1)N1CCO[C@H](Cn2nnc3c2ncnc3N2CCCC2)C1 ZINC000306126168 206197482 /nfs/dbraw/zinc/19/74/82/206197482.db2.gz DOSULJWSLAYXIK-AWEZNQCLSA-N 0 0 394.439 0.758 40 0 GCABRN Cc1ccnc(OC[C@@H]2CCS(=O)(=O)C23CN(Cc2cnn(C)c2)C3)n1 ZINC000306129844 206198550 /nfs/dbraw/zinc/19/85/50/206198550.db2.gz IOSMROPONNOLCE-HNNXBMFYSA-N 0 0 377.470 0.587 40 0 GCABRN O=C(C1CC1)N1CC[C@@]2(C1)Cn1c(=O)c(=O)n(CC3CCCCC3)nc1CO2 ZINC000306129563 206199580 /nfs/dbraw/zinc/19/95/80/206199580.db2.gz IGYARLQMMNUWRY-HXUWFJFHSA-N 0 0 388.468 0.897 40 0 GCABRN Cc1cccc(C(=O)N2C[C@@H]3Cn4c(nn(CC5CCC5)c(=O)c4=O)[C@H]3C2)n1 ZINC000306133347 206201688 /nfs/dbraw/zinc/20/16/88/206201688.db2.gz MJFFDINYFYMWKH-CABCVRRESA-N 0 0 381.436 0.778 40 0 GCABRN CNC(=O)[C@H]1COC2(CN(C(=O)c3cn4cc(Cl)ccc4n3)C2)CN1C ZINC000306135784 206202394 /nfs/dbraw/zinc/20/23/94/206202394.db2.gz PASJJBUJRJLKBW-CYBMUJFWSA-N 0 0 377.832 0.259 40 0 GCABRN CCc1oncc1C(=O)N1CC2(C1)[C@@H](COc1ncccn1)CCS2(=O)=O ZINC000306134399 206202741 /nfs/dbraw/zinc/20/27/41/206202741.db2.gz NMCKOGGCRCTUOX-GFCCVEGCSA-N 0 0 392.437 0.735 40 0 GCABRN COC(=O)C12C[C@H]3C[C@H](CC(NC(=O)CCn4ccc(=O)[nH]c4=O)(C3)C1)C2 ZINC000044226261 211452098 /nfs/dbraw/zinc/45/20/98/211452098.db2.gz OQMCQWDDWRAVQX-NFAYLAGKSA-N 0 0 375.425 0.555 40 0 GCABRN CO[C@H]1CC[C@H](NS(=O)(=O)c2ccc3c(c2)c(=O)n(C)c(=O)n3C)CC1 ZINC000100768679 211391423 /nfs/dbraw/zinc/39/14/23/211391423.db2.gz YNTXOQBPAQGRPF-TXEJJXNPSA-N 0 0 381.454 0.473 40 0 GCABRN CN1c2ccccc2[C@@H](CC(=O)NCCn2nnn(-c3cccs3)c2=O)C1=O ZINC000100754825 211389997 /nfs/dbraw/zinc/38/99/97/211389997.db2.gz QPKVEQXZORJCBK-CYBMUJFWSA-N 0 0 398.448 0.757 40 0 GCABRN CCNC(=O)[C@@H]1O[C@H](n2cnc3c2nc(Cl)nc3N)[C@@H]2OC(C)(C)O[C@@H]12 ZINC000100467202 211387235 /nfs/dbraw/zinc/38/72/35/211387235.db2.gz CHPHKXXDQSHQKC-QARKVSRYSA-N 0 0 382.808 0.616 40 0 GCABRN CNC(=O)[C@H]1Cn2ccnc2C2(CCN(C(=O)c3ccc4c(c3)OCO4)CC2)O1 ZINC000096243556 211325202 /nfs/dbraw/zinc/32/52/02/211325202.db2.gz QSKNSHCGAJESKD-MRXNPFEDSA-N 0 0 398.419 0.888 40 0 GCABRN O=C(NC[C@@H]1CCCO1)C1=NO[C@]2(CCN(S(=O)(=O)c3cccs3)C2)C1 ZINC000096225633 211319091 /nfs/dbraw/zinc/31/90/91/211319091.db2.gz REKMWJZNLWANDN-BLLLJJGKSA-N 0 0 399.494 0.953 40 0 GCABRN CS(=O)(=O)N1CCN(c2ccc3ccc(C(=O)N4CCOCC4)cn32)CC1 ZINC000096156068 211312991 /nfs/dbraw/zinc/31/29/91/211312991.db2.gz JFHLKDDTKKBZRL-UHFFFAOYSA-N 0 0 392.481 0.493 40 0 GCABRN CCN1C[C@@]23CN(C(=O)COc4ccc(C)cc4)C[C@@H](C[C@@H]2S1(=O)=O)O3 ZINC000096146047 211310038 /nfs/dbraw/zinc/31/00/38/211310038.db2.gz CWKDZPFKCRZRGA-RYRKJORJSA-N 0 0 380.466 0.778 40 0 GCABRN CCCS(=O)(=O)N1CCC[C@]2(C(=O)N(C)C)CN(c3ncccn3)C[C@@H]2C1 ZINC000096251223 211324541 /nfs/dbraw/zinc/32/45/41/211324541.db2.gz JZTGUZMMZZYXAI-QAPCUYQASA-N 0 0 395.529 0.823 40 0 GCABRN CS(=O)(=O)N1CCS(=O)(=O)[C@@H]2CCN(C(=O)c3ccccc3)CC[C@@H]21 ZINC000096251586 211323999 /nfs/dbraw/zinc/32/39/99/211323999.db2.gz KSWFWAVMZHRQDZ-LSDHHAIUSA-N 0 0 386.495 0.350 40 0 GCABRN Cc1cnc(CNC(=O)C2=NO[C@]3(CCN(S(=O)(=O)C4CC4)C3)C2)cn1 ZINC000096074558 211299346 /nfs/dbraw/zinc/29/93/46/211299346.db2.gz LKQYSIDEHZMLDZ-MRXNPFEDSA-N 0 0 379.442 0.114 40 0 GCABRN CN(C)C(=O)[C@@]12CN(c3ncccn3)C[C@@H]1CN(C(=O)c1cnccn1)CCC2 ZINC000096056112 211297675 /nfs/dbraw/zinc/29/76/75/211297675.db2.gz SOZMOMROUZWILC-YWZLYKJASA-N 0 0 395.467 0.714 40 0 GCABRN CCN1C[C@]2(CC1=O)CN(C(=O)C1CCOCC1)CCN(C(=O)N(C)C)C2 ZINC000096036248 211293802 /nfs/dbraw/zinc/29/38/02/211293802.db2.gz NPZJAOIFCLHTBH-LJQANCHMSA-N 0 0 380.489 0.477 40 0 GCABRN COc1cccc(CC(=O)N2CCN(C(=O)N(C)C)C[C@]3(CNC(=O)C3)C2)c1 ZINC000096143338 211308562 /nfs/dbraw/zinc/30/85/62/211308562.db2.gz WKMDMJZIYHPFRQ-HXUWFJFHSA-N 0 0 388.468 0.570 40 0 GCABRN Cc1nc2c(c(=O)[nH]1)CCN(C(=O)[C@@H]1[C@H]3C=C[C@]4(CN(C(C)C)C(=O)[C@H]14)O3)C2 ZINC000072346563 211095301 /nfs/dbraw/zinc/09/53/01/211095301.db2.gz PLXGPRDBKYTBFE-IHSNIMORSA-N 0 0 384.436 0.153 40 0 GCABRN C[C@@H]1CCCC[C@@H]1NC(=O)Cn1c2ccccc2n2c1nn(CC(N)=O)c2=O ZINC000072347013 211095062 /nfs/dbraw/zinc/09/50/62/211095062.db2.gz ZATVNBZASWPHGI-OLZOCXBDSA-N 0 0 384.440 0.631 40 0 GCABRN Cc1nn(C)cc1[C@H]1C[C@@H](C(=O)Nc2cc(C)ccc2O)N(C)S(=O)(=O)N1 ZINC000072335113 211094220 /nfs/dbraw/zinc/09/42/20/211094220.db2.gz NYYBSFKMQZQVKS-HIFRSBDPSA-N 0 0 393.469 0.961 40 0 GCABRN C[C@H](C(=O)NCCn1nnn(-c2cccs2)c1=O)n1nc2ccccc2n1 ZINC000072341023 211094097 /nfs/dbraw/zinc/09/40/97/211094097.db2.gz PCPPCLALOLBGFY-LLVKDONJSA-N 0 0 384.425 0.613 40 0 GCABRN COc1ccc2c(cc(C)c3nn(CC(=O)N4CCN(C(C)=O)CC4)c(=O)n32)c1 ZINC000072346993 211095901 /nfs/dbraw/zinc/09/59/01/211095901.db2.gz VYVNXQNCJZHVLU-UHFFFAOYSA-N 0 0 397.435 0.657 40 0 GCABRN O=C(c1cn(C[C@H]2CCCN(C(=O)c3cccnc3)C2)nn1)N1CCOCC1 ZINC000072324218 211089935 /nfs/dbraw/zinc/08/99/35/211089935.db2.gz AZLWLNQCAGUFAV-HNNXBMFYSA-N 0 0 384.440 0.698 40 0 GCABRN O=c1ccn(CCc2nnc(SCc3nc4ccccc4c(=O)[nH]3)o2)c(=O)[nH]1 ZINC000071195234 211042298 /nfs/dbraw/zinc/04/22/98/211042298.db2.gz GMZPAIDMGRVJLM-UHFFFAOYSA-N 0 0 398.404 0.691 40 0 GCABRN COC(=O)c1cc(NC(=O)C[C@H]2Cn3ncnc3NC2=O)cc(C(=O)OC)c1 ZINC000040386610 210784904 /nfs/dbraw/zinc/78/49/04/210784904.db2.gz GZBAIHOXULATOW-NSHDSACASA-N 0 0 387.352 0.448 40 0 GCABRN COc1ccc(OC)c(S(=O)(=O)N2CCC[C@H](C(=O)NCCCO)C2)c1 ZINC000408550998 532977749 /nfs/dbraw/zinc/97/77/49/532977749.db2.gz GOXXZXQSNKGWEC-ZDUSSCGKSA-N 0 0 386.470 0.603 40 0 GCABRN COc1ccc(S(=O)(=O)N[C@H](C)C(=O)NCCCN2CCOCC2)cc1C ZINC000408592341 533068001 /nfs/dbraw/zinc/06/80/01/533068001.db2.gz LDNDVYFIACUJFD-OAHLLOKOSA-N 0 0 399.513 0.509 40 0 GCABRN COC(=O)CN1c2ncnn2[C@H](c2ccccc2)C(C(=O)N2CCOCC2)=C1C ZINC000020674211 210355006 /nfs/dbraw/zinc/35/50/06/210355006.db2.gz QRJKWNRDGAWRKT-GOSISDBHSA-N 0 0 397.435 0.993 40 0 GCABRN O=C(CSc1cn[nH]n1)Nc1cccc(NC(=O)CSc2cn[nH]n2)n1 ZINC000020479483 210340249 /nfs/dbraw/zinc/34/02/49/210340249.db2.gz IQFVHABXIWZONO-UHFFFAOYSA-N 0 0 391.442 0.779 40 0 GCABRN CN(C)c1ncc(CN2CCO[C@@H](C(=O)N(C)CCc3ccccn3)C2)cn1 ZINC000019747326 210291536 /nfs/dbraw/zinc/29/15/36/210291536.db2.gz WBWSCRFJJVEMFB-GOSISDBHSA-N 0 0 384.484 0.840 40 0 GCABRN CS(=O)(=O)N1CCc2c(nc([C@@H]3CCCCN3C(=O)C3CCC3)[nH]c2=O)C1 ZINC000019572835 210268724 /nfs/dbraw/zinc/26/87/24/210268724.db2.gz PALSTCBJXLUSOM-HNNXBMFYSA-N 0 0 394.497 0.941 40 0 GCABRN CS(=O)(=O)c1cnc(N2CCOCC2)nc1C1CCN(C(=O)C2CC2)CC1 ZINC000019573694 210268746 /nfs/dbraw/zinc/26/87/46/210268746.db2.gz WNIHFBXPDLAONQ-UHFFFAOYSA-N 0 0 394.497 0.833 40 0 GCABRN COCCNC(=O)[C@@H]1CN(C(=O)C2CC2)C[C@H]1c1ccnc(N2CCCC2)n1 ZINC000019593501 210274454 /nfs/dbraw/zinc/27/44/54/210274454.db2.gz SVQTWQIPVFAAJN-HZPDHXFCSA-N 0 0 387.484 0.791 40 0 GCABRN CN1C[C@H](C(=O)N2CCC(C(=O)c3ccc4c(c3)NC(=O)CO4)CC2)CC1=O ZINC000019587167 210273011 /nfs/dbraw/zinc/27/30/11/210273011.db2.gz HEHNOVVWUOYVQZ-CQSZACIVSA-N 0 0 385.420 0.917 40 0 GCABRN Cc1cccc(Cn2c(=O)c3c(nc4n3CC(C)=NN4CCCO)n(C)c2=O)c1 ZINC000010359876 221101387 /nfs/dbraw/zinc/10/13/87/221101387.db2.gz NSBRDRLIBNSJBE-UHFFFAOYSA-N 0 0 396.451 0.832 40 0 GCABRN COc1ccc2cc(C)c3nn(CC(=O)N4CCN(C(C)=O)CC4)c(=O)n3c2c1 ZINC000012181708 221162314 /nfs/dbraw/zinc/16/23/14/221162314.db2.gz DPCGBESSYJYTDH-UHFFFAOYSA-N 0 0 397.435 0.657 40 0 GCABRN CCN1CCN(C2=[NH+][C@H](C(=O)Nc3ccc4c(c3)OCCO4)C=C([O-])N2)CC1 ZINC000014606957 221313708 /nfs/dbraw/zinc/31/37/08/221313708.db2.gz WOJLTIZHKBBLLA-AWEZNQCLSA-N 0 0 387.440 0.278 40 0 GCABRN C[C@@H](C(=O)NC[C@H]1CCCO1)N(c1ccc2c(c1)OCCO2)S(C)(=O)=O ZINC000408704613 533276820 /nfs/dbraw/zinc/27/68/20/533276820.db2.gz QOJULVVEMVXUMF-GXTWGEPZSA-N 0 0 384.454 0.908 40 0 GCABRN COc1ccc(C)cc1S(=O)(=O)N[C@@H](C)C(=O)NCCCN1CCOCC1 ZINC000408598081 533405942 /nfs/dbraw/zinc/40/59/42/533405942.db2.gz ZMDDGZHTOGXIRC-HNNXBMFYSA-N 0 0 399.513 0.509 40 0 GCABRN COc1ccc(C)cc1S(=O)(=O)N[C@H](C)C(=O)N1CCC(C(N)=O)CC1 ZINC000408597092 533406027 /nfs/dbraw/zinc/40/60/27/533406027.db2.gz WHRIAIATXNXQLX-GFCCVEGCSA-N 0 0 383.470 0.394 40 0 GCABRN Cc1ccc(C(=O)NCCCN2CCCC2=O)c(N2CCN(CCO)CC2)n1 ZINC000057744941 136154109 /nfs/dbraw/zinc/15/41/09/136154109.db2.gz WMXWOPATZDRARF-UHFFFAOYSA-N 0 0 389.500 0.247 40 0 GCABRN Cc1nc(N2CCOCC2)nc2c1COC[C@]21CCN(C(=O)c2ccno2)C1 ZINC000096244570 136185734 /nfs/dbraw/zinc/18/57/34/136185734.db2.gz YKANEMRBYLJVQE-LJQANCHMSA-N 0 0 385.424 0.924 40 0 GCABRN COCC(=O)N1C[C@@H]2c3nc(N4CCC[C@H](C)C4)ncc3CS(=O)(=O)[C@@H]2C1 ZINC000096252020 136185821 /nfs/dbraw/zinc/18/58/21/136185821.db2.gz RNTJVWJJHXNCCP-AEGPPILISA-N 0 0 394.497 0.582 40 0 GCABRN O[C@@H]1[C@@H](N2CCN(c3ccccc3)CC2)[C@@H]2OC[C@@H](O2)[C@H]1NCc1ccccn1 ZINC000012484175 136200337 /nfs/dbraw/zinc/20/03/37/136200337.db2.gz FIOSXZFZFQQLLK-CSEOROSGSA-N 0 0 396.491 0.847 40 0 biogenic,in-vitro GCABRN CC(=O)Nc1ccc(S(=O)(=O)NCc2nccc(N3CCOCC3)n2)cc1 ZINC000224173971 136206434 /nfs/dbraw/zinc/20/64/34/136206434.db2.gz NWEPUVHKXYOYCG-UHFFFAOYSA-N 0 0 391.453 0.750 40 0 GCABRN COc1ccc(OC)c(S(=O)(=O)NCc2ccnc(N3CCOCC3)n2)c1 ZINC000224223022 136206614 /nfs/dbraw/zinc/20/66/14/136206614.db2.gz IOOYFKCQILJALS-UHFFFAOYSA-N 0 0 394.453 0.809 40 0 GCABRN CCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NCCCN2CCOCC2)cc1 ZINC000408603580 528583766 /nfs/dbraw/zinc/58/37/66/528583766.db2.gz LAZTXVISGJUBIQ-HNNXBMFYSA-N 0 0 399.513 0.591 40 0 GCABRN CC(C)NC(=O)[C@@H](C)Oc1ccc(S(=O)(=O)NCCN2CCOCC2)cc1 ZINC000408612117 529145679 /nfs/dbraw/zinc/14/56/79/529145679.db2.gz YMKUKBXGOHZTJH-OAHLLOKOSA-N 0 0 399.513 0.589 40 0 GCABRN CCNC(=S)N1CCNC(=O)[C@H]1CC(=O)N1CCN(c2ccccc2)CC1 ZINC000010339328 535451953 /nfs/dbraw/zinc/45/19/53/535451953.db2.gz YRGYKQZJIZLOOO-MRXNPFEDSA-N 0 0 389.525 0.420 40 0 GCABRN CCCCC[C@H](CC[C@@H]1CCC(=O)O1)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000514288248 560035211 /nfs/dbraw/zinc/03/52/11/560035211.db2.gz YAZBAPFSBSLGJA-DNRMPTOCSA-N 0 0 376.446 0.238 40 0 biogenic,in-vitro GCABRN Cc1noc(C)c1NC(=O)N[C@@H]1C[C@H](Cn2cc(C3CC3)nn2)[C@@H](O)[C@H]1O ZINC000225503808 560042376 /nfs/dbraw/zinc/04/23/76/560042376.db2.gz DGJVGNPNRZKFLO-BHTHQVBYSA-N 0 0 376.417 0.692 40 0 biogenic,in-vitro GCABRN Cc1ccc(CN2C(=O)[C@@H]3C[C@@H](O)CN3C3(CN(CC(C)(C)C)C3)C2=O)o1 ZINC000225398046 560043644 /nfs/dbraw/zinc/04/36/44/560043644.db2.gz DFEHMXSRSLFBTN-ZBFHGGJFSA-N 0 0 375.469 0.993 40 0 biogenic,in-vitro GCABRN Cc1ccc(CN2C(=O)[C@@H]3C[C@@H](O)CN3C3(CN(Cc4cccnc4)C3)C2=O)o1 ZINC000225398178 560043663 /nfs/dbraw/zinc/04/36/63/560043663.db2.gz SKKOGJMMTVNOOB-AEFFLSMTSA-N 0 0 396.447 0.542 40 0 biogenic,in-vitro GCABRN O=C1[C@@H]2C[C@@H](O)CN2C2(CN(Cc3ccoc3)C2)C(=O)N1Cc1cccnc1 ZINC000225386716 560043968 /nfs/dbraw/zinc/04/39/68/560043968.db2.gz MXMCXXBCXGWUJG-SJORKVTESA-N 0 0 382.420 0.233 40 0 biogenic,in-vitro GCABRN O=C1[C@@H]2C[C@@H](O)CN2C2(CN(Cc3ccoc3)C2)C(=O)N1Cc1ccccc1 ZINC000225386189 560043993 /nfs/dbraw/zinc/04/39/93/560043993.db2.gz BQXWPZMSPZBPTK-MSOLQXFVSA-N 0 0 381.432 0.838 40 0 biogenic,in-vitro GCABRN COCC(=O)Nc1ccc([C@H]2OCC(=O)N(Cc3nccn3C)[C@@H]2CO)cc1 ZINC000072321496 560077563 /nfs/dbraw/zinc/07/75/63/560077563.db2.gz WNAFBFUVPZYKNU-DNVCBOLYSA-N 0 0 388.424 0.466 40 0 biogenic,in-vitro GCABRN CN1CCN([C@H]2[C@@H]3OC[C@@H](O3)[C@@H](NC(=O)Nc3ccc(F)cc3)[C@@H]2O)CC1 ZINC000022922187 560091971 /nfs/dbraw/zinc/09/19/71/560091971.db2.gz IJWSHARVXVDGLL-OVYGPGRDSA-N 0 0 380.420 0.048 40 0 biogenic,in-vitro GCABRN O=C(C[C@@H]1O[C@H](CNC(=O)c2ccco2)[C@@H](O)[C@H]1O)NCc1ccc(F)cc1 ZINC000008624350 560210006 /nfs/dbraw/zinc/21/00/06/560210006.db2.gz KYRWVFOJOHWCDJ-CIRFHOKZSA-N 0 0 392.383 0.344 40 0 biogenic,in-vitro GCABRN O=C(C[C@@H]1O[C@H](CNC(=O)c2ccco2)[C@@H](O)[C@H]1O)N1CCc2ccccc21 ZINC000008624306 560210041 /nfs/dbraw/zinc/21/00/41/560210041.db2.gz XWRZJJNFJZUZRV-OGWHTMIXSA-N 0 0 386.404 0.478 40 0 biogenic,in-vitro GCABRN CN(Cc1ccccc1)C(=O)C[C@@H]1O[C@H](CNC(=O)C2CCCC2)[C@@H](O)[C@H]1O ZINC000012603806 560213279 /nfs/dbraw/zinc/21/32/79/560213279.db2.gz NCUNKLXSWYADDS-KVPLUYHFSA-N 0 0 390.480 0.831 40 0 biogenic,in-vitro GCABRN COc1cccc(C(=O)N2CCN(C(=O)N(C)C)C[C@@]3(CC(=O)N(C)C3)C2)c1 ZINC000096143419 570213505 /nfs/dbraw/zinc/21/35/05/570213505.db2.gz QPPRIJLGIDRALO-HXUWFJFHSA-N 0 0 388.468 0.983 40 0 GCABRN CC(C)NC(=O)N1C[C@H]2C[C@H]3[C@@](CN(Cc4ccncc4)S3(=O)=O)(C1)O2 ZINC000096146000 570213857 /nfs/dbraw/zinc/21/38/57/570213857.db2.gz SCACCNLXBHNIOY-VYDXJSESSA-N 0 0 380.470 0.557 40 0 GCABRN COCCN1C[C@@]23CN(C(=O)Nc4ccc(F)cc4)C[C@@H](C[C@@H]2S1(=O)=O)O3 ZINC000096146115 570213879 /nfs/dbraw/zinc/21/38/79/570213879.db2.gz XHYPNQMWAPKKLJ-VYDXJSESSA-N 0 0 399.444 0.861 40 0 GCABRN Cc1ccc(=O)n(CC(=O)N2CCO[C@H](C(=O)N3CCc4ccccc4C3)C2)n1 ZINC000019747782 570214030 /nfs/dbraw/zinc/21/40/30/570214030.db2.gz MWGSQBJLTNBHFS-SFHVURJKSA-N 0 0 396.447 0.364 40 0 GCABRN Cc1cccc(CN2CC[C@@]3(CC(C(=O)NCCN4CCOCC4)=NO3)C2)n1 ZINC000096225699 570220381 /nfs/dbraw/zinc/22/03/81/570220381.db2.gz BSFBHWXEHKTGSW-HXUWFJFHSA-N 0 0 387.484 0.559 40 0 GCABRN Cc1ccc(CN2CC[C@@]3(CC(C(=O)NCCN4CCOCC4)=NO3)C2)o1 ZINC000096225691 570220522 /nfs/dbraw/zinc/22/05/22/570220522.db2.gz JZUKNODPQDQYSS-LJQANCHMSA-N 0 0 376.457 0.757 40 0 GCABRN CNC(=O)[C@@H]1Cn2ccnc2C2(CCN(C(=O)c3ccc4c(c3)OCO4)CC2)O1 ZINC000096243555 570223185 /nfs/dbraw/zinc/22/31/85/570223185.db2.gz QSKNSHCGAJESKD-INIZCTEOSA-N 0 0 398.419 0.888 40 0 GCABRN Cc1cccc(S(=O)(=O)N2CCCn3cnc(CNS(C)(=O)=O)c3C2)c1 ZINC000096259436 570225284 /nfs/dbraw/zinc/22/52/84/570225284.db2.gz ZELARFGNDSTIKA-UHFFFAOYSA-N 0 0 398.510 0.835 40 0 GCABRN NC(=O)C[C@@]1(COc2ccc(F)cc2)CN(C(=O)c2cccc(N)n2)CCO1 ZINC000585282978 570250975 /nfs/dbraw/zinc/25/09/75/570250975.db2.gz LDNLUJLDLDFYIZ-IBGZPJMESA-N 0 0 388.399 0.969 40 0 GCABRN CCOC(=O)[C@]1(C#N)[C@@H]2C=CC(C(N)=O)=CN2[C@@H](C(N)=O)[C@@H]1c1ccccc1F ZINC000005326195 570253150 /nfs/dbraw/zinc/25/31/50/570253150.db2.gz RRLSWKYRRUHRJB-ZFCANOHDSA-N 0 0 398.394 0.459 40 0 GCABRN CC(=O)OCC1(CC(=O)N2CCOCC2)CCN(C(=O)c2nccn2C)CC1 ZINC000585294329 570263578 /nfs/dbraw/zinc/26/35/78/570263578.db2.gz YQOZBRQXZITNBP-UHFFFAOYSA-N 0 0 392.456 0.455 40 0 GCABRN O=C([C@H]1CC[C@H](CNS(=O)(=O)c2ccc(F)cc2)CC1)N1CCNC(=O)C1 ZINC000101496697 570275172 /nfs/dbraw/zinc/27/51/72/570275172.db2.gz REVWJINPWXQUCD-OKILXGFUSA-N 0 0 397.472 0.869 40 0 GCABRN NC(=O)[C@@H]1CCCN1C(=O)[C@H]1CC[C@H](Cn2c(=O)[nH]c3ccccc3c2=O)CC1 ZINC000101628395 570277064 /nfs/dbraw/zinc/27/70/64/570277064.db2.gz UIRAGAILGNRDEH-VBQJREDUSA-N 0 0 398.463 0.973 40 0 GCABRN O=C(NCc1ccc(S(=O)(=O)N2CCCC2)cc1)C(=O)NC[C@@H]1CCCO1 ZINC000020769006 570281962 /nfs/dbraw/zinc/28/19/62/570281962.db2.gz LVLMIHHRZVMYOM-HNNXBMFYSA-N 0 0 395.481 0.383 40 0 GCABRN COc1ccc(CNC(=O)C(=O)NCc2ccc(S(N)(=O)=O)cc2)cc1 ZINC000020768903 570282049 /nfs/dbraw/zinc/28/20/49/570282049.db2.gz KJVSKCPZAQOBQI-UHFFFAOYSA-N 0 0 377.422 0.275 40 0 GCABRN O=C(N/C(=C/c1cccnc1)C(=O)N1CCN(CCO)CC1)c1ccccc1 ZINC000022079060 570305241 /nfs/dbraw/zinc/30/52/41/570305241.db2.gz JECGMAFZILSICY-XDJHFCHBSA-N 0 0 380.448 0.989 40 0 GCABRN COc1cccc(NC(=O)N2CCN(S(C)(=O)=O)C[C@@]3(CNC(=O)C3)C2)c1 ZINC000105834626 570305894 /nfs/dbraw/zinc/30/58/94/570305894.db2.gz LVLVINLHDLMTIN-KRWDZBQOSA-N 0 0 396.469 0.311 40 0 GCABRN CC[C@@H](C)NC(=O)C(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000022229486 570308152 /nfs/dbraw/zinc/30/81/52/570308152.db2.gz SRUMOXJXJZONNM-CYBMUJFWSA-N 0 0 383.470 0.238 40 0 GCABRN CCOC(=O)N1CCN(C(=O)COc2ccc(N(C)S(C)(=O)=O)cc2)CC1 ZINC000022230723 570308470 /nfs/dbraw/zinc/30/84/70/570308470.db2.gz CBNKPGMAXASYCF-UHFFFAOYSA-N 0 0 399.469 0.762 40 0 GCABRN COc1cc(C(=O)N2CCC(C(N)=O)CC2)c(N(C)S(C)(=O)=O)cc1OC ZINC000022251355 570310862 /nfs/dbraw/zinc/31/08/62/570310862.db2.gz DAWMFOAOSNHJAQ-UHFFFAOYSA-N 0 0 399.469 0.437 40 0 GCABRN C[C@@H](O)[C@H]1N[C@]2(C(=O)Nc3ccc(F)cc32)[C@@H]2C(=O)N(C(C)(C)C)C(=O)[C@@H]21 ZINC000016034103 570313104 /nfs/dbraw/zinc/31/31/04/570313104.db2.gz IRPYICWEKOXUOT-JJEGVRSWSA-N 0 0 375.400 0.725 40 0 GCABRN CS(=O)(=O)N1CCC[C@@H](C(=O)NCc2cccc(CN3CCOCC3)c2)C1 ZINC000108642433 570313432 /nfs/dbraw/zinc/31/34/32/570313432.db2.gz VGZZOARNYCYMPZ-GOSISDBHSA-N 0 0 395.525 0.807 40 0 GCABRN COc1ccc(C(=O)N2C[C@@H]3COCCN3C3(CN(Cc4c[nH]cn4)C3)C2)cc1 ZINC000604381844 570352520 /nfs/dbraw/zinc/35/25/20/570352520.db2.gz RIZXRLSDYXQNNZ-GOSISDBHSA-N 0 0 397.479 0.830 40 0 biogenic,in-vitro GCABRN CC(C)C(=O)N1C[C@@H]2COCCN2C2(CN(C(=O)COc3ccccc3)C2)C1 ZINC000604381734 570352667 /nfs/dbraw/zinc/35/26/67/570352667.db2.gz MBSHZYNGTPOMFY-QGZVFWFLSA-N 0 0 387.480 0.845 40 0 biogenic,in-vitro GCABRN CCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NCCN2CCOCC2)cc1C ZINC000408621493 570370694 /nfs/dbraw/zinc/37/06/94/570370694.db2.gz LKKVAUAGHMCRLC-HNNXBMFYSA-N 0 0 399.513 0.509 40 0 GCABRN CS(=O)(=O)N(CC(=O)NCCCN1CCOCC1)c1ccc(F)cc1F ZINC000220089847 570381579 /nfs/dbraw/zinc/38/15/79/570381579.db2.gz ALNMXFQXFIYAJS-UHFFFAOYSA-N 0 0 391.440 0.569 40 0 GCABRN CCc1ccc(N([C@@H](C)C(=O)NCCN2CCOCC2)S(C)(=O)=O)cc1 ZINC000220280601 570384196 /nfs/dbraw/zinc/38/41/96/570384196.db2.gz BZBHDQMMIVFUQY-HNNXBMFYSA-N 0 0 383.514 0.852 40 0 GCABRN CCS[C@@H]1O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000004802845 570406407 /nfs/dbraw/zinc/40/64/07/570406407.db2.gz YPNFVZQPWZMHIF-OTJKEOIZSA-N 0 0 392.426 0.823 40 0 GCABRN Cn1c2nc(NCCNC(=O)C3CC3)n(Cc3ccccc3)c2c(=O)n(C)c1=O ZINC000004861685 570413311 /nfs/dbraw/zinc/41/33/11/570413311.db2.gz ZSXANCYAFBWHSZ-UHFFFAOYSA-N 0 0 396.451 0.420 40 0 GCABRN CC(C)NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(-n3cnnn3)cc2)C1 ZINC000001363918 570413708 /nfs/dbraw/zinc/41/37/08/570413708.db2.gz LLVYFMTYXDPIPT-CYBMUJFWSA-N 0 0 378.458 0.588 40 0 GCABRN CN(C)S(=O)(=O)c1ccc(OCC(=O)Nc2ccc(CC(N)=O)cc2)cc1 ZINC000222757353 570423982 /nfs/dbraw/zinc/42/39/82/570423982.db2.gz IAIXBPKCJGBVPK-UHFFFAOYSA-N 0 0 391.449 0.982 40 0 GCABRN O=C(COc1ccc(-n2cccn2)nn1)NCc1nccc(N2CCCC2)n1 ZINC000224157326 570424940 /nfs/dbraw/zinc/42/49/40/570424940.db2.gz WTTMPYHSAWEUCL-UHFFFAOYSA-N 0 0 380.412 0.748 40 0 GCABRN CCNS(=O)(=O)c1cc(C(=O)NCCSc2n[nH]c(C)n2)ccc1OC ZINC000222912926 570431143 /nfs/dbraw/zinc/43/11/43/570431143.db2.gz ONBRZMPSKNLOKZ-UHFFFAOYSA-N 0 0 399.498 0.942 40 0 GCABRN CC(C)[C@@H]([NH3+])C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)[O-])C(C)C ZINC000005274106 570432957 /nfs/dbraw/zinc/43/29/57/570432957.db2.gz ZNGPROMGGGFOAA-OAGGEKHMSA-N 0 0 379.457 0.628 40 0 GCABRN CCNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(C)S(C)(=O)=O ZINC000222967267 570433718 /nfs/dbraw/zinc/43/37/18/570433718.db2.gz IECUKUKHMDMJEJ-CYBMUJFWSA-N 0 0 385.486 0.440 40 0 GCABRN O=c1nc(NCC23CC4CC(CC(C4)C2)C3)ccn1[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H]1O ZINC000005496575 570442559 /nfs/dbraw/zinc/44/25/59/570442559.db2.gz XFJOBTJBGUCADD-TWQVAMRWSA-N 0 0 391.468 0.483 40 0 GCABRN Cc1cc2c(cc1S(=O)(=O)Nc1ccc(S(N)(=O)=O)cc1)oc(=O)n2C ZINC000223337869 570459391 /nfs/dbraw/zinc/45/93/91/570459391.db2.gz CVKOZYHHBWMKTO-UHFFFAOYSA-N 0 0 397.434 0.888 40 0 GCABRN C[C@@H](C(=O)N1CCOCCOCCOCC1)N1C(=O)c2ccccc2C1=O ZINC000000859405 570497399 /nfs/dbraw/zinc/49/73/99/570497399.db2.gz GNWGBUBTLJDCHE-AWEZNQCLSA-N 0 0 376.409 0.563 40 0 GCABRN C[C@@H]1C[C@H]1C(=O)N1CC2(C1)CN(CC1CC1)[C@H](C(=O)N1CCCCO1)CO2 ZINC000575406557 570522487 /nfs/dbraw/zinc/52/24/87/570522487.db2.gz YAEROBXTXDGXNP-OIISXLGYSA-N 0 0 377.485 0.888 40 0 GCABRN Cc1cc(S(=O)(=O)N(C)C)ccc1OCC(=O)NCCN1CCOCC1 ZINC000028207576 570529402 /nfs/dbraw/zinc/52/94/02/570529402.db2.gz SFGCGLVCMHOUHK-UHFFFAOYSA-N 0 0 385.486 0.073 40 0 GCABRN CN(C)S(=O)(=O)N1CCC(C(=O)NC[C@H]2COc3ccccc3O2)CC1 ZINC000225254453 570559439 /nfs/dbraw/zinc/55/94/39/570559439.db2.gz GJADTEQSSHMWAO-AWEZNQCLSA-N 0 0 383.470 0.461 40 0 GCABRN CCOc1cc(S(=O)(=O)NC[C@@H]2CCCO2)c(OCC)cc1-n1cnnn1 ZINC000001325359 570566348 /nfs/dbraw/zinc/56/63/48/570566348.db2.gz OFVRNXKUOKRVPX-LBPRGKRZSA-N 0 0 397.457 0.917 40 0 GCABRN O=C(Cc1nnc(NC(=O)[C@@H]2COc3ccccc3O2)s1)N1CCOCC1 ZINC000001351420 570572972 /nfs/dbraw/zinc/57/29/72/570572972.db2.gz PUSUKYPNGXIDPO-ZDUSSCGKSA-N 0 0 390.421 0.718 40 0 GCABRN CN1C[C@@]23C=C[C@@H](O2)[C@H](C(=O)N2CCC(C(=O)c4cccnc4)CC2)[C@@H]3C1=O ZINC000072389439 570576578 /nfs/dbraw/zinc/57/65/78/570576578.db2.gz GOYOXEZNFXTNQR-KYFSNAEOSA-N 0 0 381.432 0.915 40 0 GCABRN CC(C)(C)NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(-n3cnnn3)cc2)C1 ZINC000001363780 570577680 /nfs/dbraw/zinc/57/76/80/570577680.db2.gz YKPLIDINLWOANO-CYBMUJFWSA-N 0 0 392.485 0.978 40 0 GCABRN CN1[C@@H](C(=O)N2CCC(C(N)=O)CC2)C[C@@H](c2ccc(F)cc2)NS1(=O)=O ZINC000012159522 570619037 /nfs/dbraw/zinc/61/90/37/570619037.db2.gz DZSKXENPGVLDEY-LSDHHAIUSA-N 0 0 398.460 0.129 40 0 GCABRN Cc1cc(C)n(CCC(=O)N2CC[C@H](c3cc(=O)[nH]c(N(C)C)n3)C2)c(=O)n1 ZINC000012406458 570654055 /nfs/dbraw/zinc/65/40/55/570654055.db2.gz SMBOXSPFULIGEH-AWEZNQCLSA-N 0 0 386.456 0.828 40 0 GCABRN CS(=O)(=O)N1CCC[C@H](C(=O)NCc2ccc(CN3CCOCC3)cc2)C1 ZINC000260888424 570711890 /nfs/dbraw/zinc/71/18/90/570711890.db2.gz NOPLMJZCHBAERM-SFHVURJKSA-N 0 0 395.525 0.807 40 0 GCABRN CS(=O)(=O)NC[C@H]1Cn2nccc2CN(Cc2ccc3c(c2)OCO3)C1 ZINC000247540050 570715701 /nfs/dbraw/zinc/71/57/01/570715701.db2.gz RZBXGYZDCJDYNT-CQSZACIVSA-N 0 0 378.454 0.793 40 0 GCABRN O=C1Nc2ccccc2N=C(c2ccccc2)/C1=C/[C@H](O)[C@H](O)[C@@H](O)[C@H](O)CO ZINC000015223757 570788096 /nfs/dbraw/zinc/78/80/96/570788096.db2.gz JWDROEPTMKFOIT-FRWUCIHFSA-N 0 0 398.415 0.122 40 0 GCABRN Cc1cc(=O)oc2cc(O[C@]3(C)O[C@@H](CO)[C@](C)(O)[C@](C)(O)[C@@]3(C)O)ccc12 ZINC000012358925 570805792 /nfs/dbraw/zinc/80/57/92/570805792.db2.gz VERJTZMTVXTWPT-AEEMCCEDSA-N 0 0 394.420 0.841 40 0 GCABRN Cc1nnc(NC(=O)Cn2nnc3c(cnn3-c3ccc(F)cc3)c2=O)s1 ZINC000013563148 570851840 /nfs/dbraw/zinc/85/18/40/570851840.db2.gz SXHCNVMHPPJITH-UHFFFAOYSA-N 0 0 386.372 0.915 40 0 GCABRN COCCCNC(=O)Cn1cc(C(=O)C(=O)N2CCOCC2)c2ccccc21 ZINC000014135977 570877345 /nfs/dbraw/zinc/87/73/45/570877345.db2.gz GFJVSVAMZKRMRE-UHFFFAOYSA-N 0 0 387.436 0.836 40 0 GCABRN O=C(OC[C@@H](O)[C@H](O)[C@@H](O)[C@@H](O)COC(=O)c1ccccc1)c1ccccc1 ZINC000014586322 570892335 /nfs/dbraw/zinc/89/23/35/570892335.db2.gz LDFVROHMRYBVGB-MHORFTMASA-N 0 0 390.388 0.144 40 0 GCABRN C[C@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)N1C(=O)[C@@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C1=O ZINC000169679488 570904274 /nfs/dbraw/zinc/90/42/74/570904274.db2.gz ORPWLMJRWWIUFM-ZNLHFFCSSA-N 0 0 389.433 0.468 40 0 GCABRN COc1ccc(C)cc1S(=O)(=O)N(C)CC(=O)NCCN1CCOCC1 ZINC000016291316 570921087 /nfs/dbraw/zinc/92/10/87/570921087.db2.gz UPOXXNPIAQWILT-UHFFFAOYSA-N 0 0 385.486 0.073 40 0 GCABRN CC(C)S(=O)(=O)N1Cc2ccnn2[C@@H](CC(=O)NCC2CCOCC2)C1 ZINC000585095359 570921582 /nfs/dbraw/zinc/92/15/82/570921582.db2.gz RAKXWZFSWMKNKD-INIZCTEOSA-N 0 0 384.502 0.911 40 0 GCABRN CC(C)S(=O)(=O)N1Cc2ccnn2[C@H](CC(=O)NCC2CCOCC2)C1 ZINC000585095360 570921811 /nfs/dbraw/zinc/92/18/11/570921811.db2.gz RAKXWZFSWMKNKD-MRXNPFEDSA-N 0 0 384.502 0.911 40 0 GCABRN O=C(N[C@@H]1CCS(=O)(=O)C1)C1=NO[C@]2(C1)CCCN(Cc1ccccn1)C2 ZINC000585101054 570928494 /nfs/dbraw/zinc/92/84/94/570928494.db2.gz ACGAFYACDZJQJH-QAPCUYQASA-N 0 0 392.481 0.496 40 0 GCABRN CCOC(=O)CNC(=O)CSc1nnc(-c2ccc(OC)c(OC)c2)n1N ZINC000016756105 570933141 /nfs/dbraw/zinc/93/31/41/570933141.db2.gz BKALNKGRRJJDIA-UHFFFAOYSA-N 0 0 395.441 0.448 40 0 GCABRN Cn1ccc(CC(=O)N2CC[C@H]3O[C@@H](COCCN4CCOCC4)CC[C@H]32)n1 ZINC000585108502 570940128 /nfs/dbraw/zinc/94/01/28/570940128.db2.gz XWFKCXCGULHZPV-GUDVDZBRSA-N 0 0 392.500 0.460 40 0 GCABRN Cc1cc(C)nc(N2CCc3oc(C(=O)NC[C@@H]4CN(C)CCO4)nc3C2)n1 ZINC000585111614 570942441 /nfs/dbraw/zinc/94/24/41/570942441.db2.gz DNZXPWQGCYXALA-CQSZACIVSA-N 0 0 386.456 0.705 40 0 GCABRN Cc1snnc1C(=O)N1CCOC[C@]2(CCN(Cc3nccn3C)C2)C1 ZINC000585113558 570943749 /nfs/dbraw/zinc/94/37/49/570943749.db2.gz QPLYCWOAZBIPOQ-KRWDZBQOSA-N 0 0 376.486 0.945 40 0 GCABRN CC(=O)N1CCC(c2ncc3c(n2)CCN(C(=O)C2=NNC(=O)CC2)C3)CC1 ZINC000019016818 570954029 /nfs/dbraw/zinc/95/40/29/570954029.db2.gz CTYQBZVHRNTLBD-UHFFFAOYSA-N 0 0 384.440 0.353 40 0 GCABRN CC(=O)Nc1ccc(S(=O)(=O)N2CCN(C(=O)Cn3ccnc3)CC2)cc1 ZINC000019022597 570955440 /nfs/dbraw/zinc/95/54/40/570955440.db2.gz OPTYCJITMZWQGX-UHFFFAOYSA-N 0 0 391.453 0.375 40 0 GCABRN O=C(CO)N1CCC[C@@H]1c1c(-c2ccnc(N3CCCC3)n2)cnn1CCO ZINC000019404175 570983317 /nfs/dbraw/zinc/98/33/17/570983317.db2.gz FPRTUOJMOHTFGJ-MRXNPFEDSA-N 0 0 386.456 0.588 40 0 GCABRN COC[C@H](C)NC(=O)CN1CCC(O)(Cn2cnc3ccccc3c2=O)CC1 ZINC000019456622 570987167 /nfs/dbraw/zinc/98/71/67/570987167.db2.gz QKAWKUBPMWMDIY-HNNXBMFYSA-N 0 0 388.468 0.375 40 0 GCABRN CCS(=O)(=O)N1CCc2c(nc([C@H]3CCCCN3C(=O)C3CC3)[nH]c2=O)C1 ZINC000019520438 570993976 /nfs/dbraw/zinc/99/39/76/570993976.db2.gz OFDFHTSAPUSPNQ-OAHLLOKOSA-N 0 0 394.497 0.941 40 0 GCABRN CNC(=O)[C@@H]1CN(C(=O)CCn2c(=O)oc3cc(Cl)ccc32)CCN1C ZINC000585168392 570996339 /nfs/dbraw/zinc/99/63/39/570996339.db2.gz IHEUYRSGHKFPSV-ZDUSSCGKSA-N 0 0 380.832 0.527 40 0 GCABRN COCC(=O)N1C[C@H](C(=O)N(C)C)[C@@H](c2ccnc(N3CCCCC3)n2)C1 ZINC000019581335 571013753 /nfs/dbraw/zinc/01/37/53/571013753.db2.gz JFDZURKXUGDEHZ-GJZGRUSLSA-N 0 0 375.473 0.744 40 0 GCABRN COCCC(=O)N1CCCC[C@@H]1c1nc2c(c(=O)[nH]1)CCN(S(C)(=O)=O)C2 ZINC000019593170 571019758 /nfs/dbraw/zinc/01/97/58/571019758.db2.gz BFFFLBGCJCNNMB-CQSZACIVSA-N 0 0 398.485 0.178 40 0 GCABRN Nc1nc2c(cc1C(=O)N1CCCC1)CN(C(=O)COC[C@@H]1CCCO1)CC2 ZINC000019701142 571031552 /nfs/dbraw/zinc/03/15/52/571031552.db2.gz ZOOFYETVERBOEZ-HNNXBMFYSA-N 0 0 388.468 0.980 40 0 GCABRN CN1CC[C@@]2(CN(c3ncccn3)CC23CCN(S(C)(=O)=O)CC3)C1=O ZINC000096036383 571096134 /nfs/dbraw/zinc/09/61/34/571096134.db2.gz UTIYKGAULLGAES-QGZVFWFLSA-N 0 0 379.486 0.187 40 0 GCABRN CCN1C(=O)[C@H]2CN(S(=O)(=O)c3cccc(F)c3)CCN2C12CCOCC2 ZINC001772595756 1187055609 /nfs/dbraw/zinc/05/56/09/1187055609.db2.gz LFWQPHDAHBXQDD-MRXNPFEDSA-N 0 0 397.472 0.869 40 0 GCABRN Cc1cc(C(=O)N2CCN(C(=O)[C@@H](C)n3cnc4c3ncnc4N)[C@H](C)C2)[nH]n1 ZINC000616192609 1189717718 /nfs/dbraw/zinc/71/77/18/1189717718.db2.gz MFFIQJGZRGZJLB-VXGBXAGGSA-N 0 0 397.443 0.374 40 0 GCABRN Cc1noc(C)c1CN1CCN(C(=O)CCn2cnc3c2ncnc3N)CC1 ZINC000666428877 1197275015 /nfs/dbraw/zinc/27/50/15/1197275015.db2.gz BPFDODCPDXJONT-UHFFFAOYSA-N 0 0 384.444 0.748 40 0 GCABRN O=c1[nH]cnc2c1nc(SCc1ccccc1)n2[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H]1O ZINC000008582542 1199207417 /nfs/dbraw/zinc/20/74/17/1199207417.db2.gz CNMCFXDTJZNDME-YPHNTLSLSA-N 0 0 390.421 0.023 40 0 GCABRN CCOc1ccc(NC(=O)Cc2c(Cl)nc3n2c(=O)n(C)c(=O)n3C)cc1 ZINC000028527227 1199931233 /nfs/dbraw/zinc/93/12/33/1199931233.db2.gz RRMXGFQVFQQRBT-UHFFFAOYSA-N 0 0 391.815 0.965 40 0 GCABRN O=C(Cc1ccc(NS(=O)(=O)CCN2C(=O)CCCC2=O)cc1)NC1CC1 ZINC000038678406 1201196169 /nfs/dbraw/zinc/19/61/69/1201196169.db2.gz JSTPXTRYUZMPBW-UHFFFAOYSA-N 0 0 393.465 0.789 40 0 GCABRN CC(C)(C(=O)[O-])[NH+]1CCN(C(=O)c2cc(N3CCNC3=O)ccc2F)CC1 ZINC000630224683 975171852 /nfs/dbraw/zinc/17/18/52/975171852.db2.gz DHETZHULGUYEMU-UHFFFAOYSA-N 0 0 378.404 0.976 40 0 GCABRN CCS(=O)(=O)N1CCc2c(nc([C@@H]3CCCCN3C(=O)C3CC3)[nH]c2=O)C1 ZINC000019520437 210254594 /nfs/dbraw/zinc/25/45/94/210254594.db2.gz OFDFHTSAPUSPNQ-HNNXBMFYSA-N 0 0 394.497 0.941 40 0 GCABRN C[C@@H](O)CNC(=O)[C@@H]1CC(=O)N(c2ccc(OCC(=O)N3CCCC3)cc2)C1 ZINC000408614340 231081417 /nfs/dbraw/zinc/08/14/17/231081417.db2.gz BBZGUXGBHPUJPB-HUUCEWRRSA-N 0 0 389.452 0.538 40 0 GCABRN COCCCNS(=O)(=O)c1ccc(O[C@@H](C)C(=O)N2CCOCC2)cc1 ZINC000408604220 231076881 /nfs/dbraw/zinc/07/68/81/231076881.db2.gz LKUDJWFTBWZRES-AWEZNQCLSA-N 0 0 386.470 0.628 40 0 GCABRN Cc1ccc(N([C@H](C)C(=O)NCCN2CCOCC2)S(C)(=O)=O)cc1C ZINC000408627897 231087798 /nfs/dbraw/zinc/08/77/98/231087798.db2.gz RDDJCPBEWAPHNM-MRXNPFEDSA-N 0 0 383.514 0.906 40 0 GCABRN COCCNS(=O)(=O)c1ccc(OCC(=O)N[C@H](C)COC)c(Cl)c1 ZINC000408635577 231090281 /nfs/dbraw/zinc/09/02/81/231090281.db2.gz FFVQYSKANRWELW-LLVKDONJSA-N 0 0 394.877 0.795 40 0 GCABRN COCCCNC(=O)COc1ccc(S(=O)(=O)NCCOC)cc1Cl ZINC000408635899 231090466 /nfs/dbraw/zinc/09/04/66/231090466.db2.gz JFJRGVIUFYLAKA-UHFFFAOYSA-N 0 0 394.877 0.796 40 0 GCABRN O=C(CCN1C(=O)N[C@H]2NC(=O)N[C@H]21)N1CCC(Oc2ccccc2F)CC1 ZINC000019350118 210244893 /nfs/dbraw/zinc/24/48/93/210244893.db2.gz XIHKNPBTLGYGON-CVEARBPZSA-N 0 0 391.403 0.576 40 0 GCABRN Cc1nnnn1CCC(=O)NC1CCC2(CC1)CNC(=O)c1ccccc1O2 ZINC000019288404 210237783 /nfs/dbraw/zinc/23/77/83/210237783.db2.gz MCYDWUQVGZTWLU-UHFFFAOYSA-N 0 0 384.440 0.992 40 0 GCABRN Cc1cccc2c3c([nH]c21)CCN(C(=O)CCN1C(=O)N[C@@H]2NC(=O)N[C@@H]21)C3 ZINC000019236560 210234110 /nfs/dbraw/zinc/23/41/10/210234110.db2.gz FHEDBOLXJUSYKU-DLBZAZTESA-N 0 0 382.424 0.741 40 0 GCABRN Cc1cccc2c3c([nH]c21)CCN(C(=O)CCN1C(=O)N[C@H]2NC(=O)N[C@@H]21)C3 ZINC000019236558 210233663 /nfs/dbraw/zinc/23/36/63/210233663.db2.gz FHEDBOLXJUSYKU-IAGOWNOFSA-N 0 0 382.424 0.741 40 0 GCABRN O=C1NN/C=N\c2ccc(cc2)S(=O)(=O)c2ccc(cc2)/N=C\NNC1=O ZINC000018030250 210211300 /nfs/dbraw/zinc/21/13/00/210211300.db2.gz IQTHDAXRWGVSQR-UHFFFAOYSA-N 0 0 386.393 0.094 40 0 GCABRN Cn1c(=O)cc(N(CCN2CCOCC2)C(=O)/C=C\c2ccccc2)n(C)c1=O ZINC000017126425 210205502 /nfs/dbraw/zinc/20/55/02/210205502.db2.gz LXKAMCFFSQYYSD-HJWRWDBZSA-N 0 0 398.463 0.463 40 0 GCABRN CNC(=O)[C@H](C)Oc1ccc(S(=O)(=O)NCCCN2CCOCC2)cc1 ZINC000408600404 529918048 /nfs/dbraw/zinc/91/80/48/529918048.db2.gz ASPBVUKJBZZKPG-AWEZNQCLSA-N 0 0 385.486 0.201 40 0 GCABRN Cc1noc(C)c1S(=O)(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000015365021 210157228 /nfs/dbraw/zinc/15/72/28/210157228.db2.gz YZLDXEQDZGYFDA-UHFFFAOYSA-N 0 0 385.467 0.987 40 0 GCABRN CN1CCN(S(=O)(=O)c2ccc(S(=O)(=O)NC3CCCC3)cc2)CC1 ZINC000036048071 530125237 /nfs/dbraw/zinc/12/52/37/530125237.db2.gz QEXWFXMBIGREOH-UHFFFAOYSA-N 0 0 387.527 0.844 40 0 GCABRN CNC(=O)[C@@H]1C(=O)C[C@@](C)(O)[C@@H](C(=O)NC)[C@H]1c1ccc(Br)cc1 ZINC000036556748 530172628 /nfs/dbraw/zinc/17/26/28/530172628.db2.gz VVHUDXYAOJMQET-ZOMKSWQUSA-N 0 0 397.269 0.981 40 0 GCABRN O=S(=O)(c1ccccc1)N1C[C@H]2NS(=O)(=O)c3ccccc3O[C@H]2C1 ZINC000514289996 530271169 /nfs/dbraw/zinc/27/11/69/530271169.db2.gz QSXIYLMRJDGKBF-HIFRSBDPSA-N 0 0 380.447 0.799 40 0 biogenic,in-vitro GCABRN C[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)NCCN1CCOCC1 ZINC000058100690 530496514 /nfs/dbraw/zinc/49/65/14/530496514.db2.gz AQVRKGLSLJLMFN-GFCCVEGCSA-N 0 0 375.878 0.455 40 0 GCABRN CN(C)S(=O)(=O)c1ccc(OCC(=O)NCCSc2nc[nH]n2)cc1 ZINC000222756152 530502582 /nfs/dbraw/zinc/50/25/82/530502582.db2.gz IBBHCRIXQABELT-UHFFFAOYSA-N 0 0 385.471 0.342 40 0 GCABRN CS(=O)(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CC(N)=O)cc2)cc1 ZINC000223020764 530503012 /nfs/dbraw/zinc/50/30/12/530503012.db2.gz LOLLRPRQZFHRQJ-UHFFFAOYSA-N 0 0 383.451 0.887 40 0 GCABRN CN([C@H]1CS(=O)(=O)C[C@@H]1O)S(=O)(=O)c1ccc(Br)cc1 ZINC000575421078 530687920 /nfs/dbraw/zinc/68/79/20/530687920.db2.gz HNFZVNVHSITITM-QWRGUYRKSA-N 0 0 384.273 0.228 40 0 GCABRN CCOC(=O)N[C@@H]1CS(=O)(=O)C[C@@H]1NS(=O)(=O)c1ccc(F)cc1 ZINC000575424649 530689039 /nfs/dbraw/zinc/68/90/39/530689039.db2.gz VCGNFSITFHOLNW-NEPJUHHUSA-N 0 0 380.419 0.016 40 0 GCABRN CN(C)N([C@@H]1CS(=O)(=O)C[C@@H]1O)S(=O)(=O)c1ccc2ccccc2c1 ZINC000575425566 530689246 /nfs/dbraw/zinc/68/92/46/530689246.db2.gz ZYYCHSRPZONJLK-CVEARBPZSA-N 0 0 384.479 0.465 40 0 GCABRN Cc1ccc(Cl)cc1S(=O)(=O)N(C[C@H](O)CO)[C@H]1CCS(=O)(=O)C1 ZINC000575426228 530689741 /nfs/dbraw/zinc/68/97/41/530689741.db2.gz OZWLJLYBTLNCPL-STQMWFEESA-N 0 0 397.902 0.179 40 0 GCABRN COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCCO)C2)cc1Cl ZINC000009974634 530778201 /nfs/dbraw/zinc/77/82/01/530778201.db2.gz JOTTYVQCFBQWKL-LLVKDONJSA-N 0 0 376.862 0.858 40 0 GCABRN CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(OC)c(NC(C)=O)c1 ZINC000007686359 530833417 /nfs/dbraw/zinc/83/34/17/530833417.db2.gz MPAJIWKEWQMGSI-GFCCVEGCSA-N 0 0 390.483 0.851 40 0 GCABRN CCOC(=O)N(CCNC(=O)C1CCCCC1)[C@H]1CS(=O)(=O)C[C@H]1O ZINC000217369014 530936896 /nfs/dbraw/zinc/93/68/96/530936896.db2.gz SHTDXSWXSHAZDJ-UONOGXRCSA-N 0 0 376.475 0.299 40 0 GCABRN CS(=O)(=O)N1CCN(CCNC(=O)Cc2c(F)cccc2Cl)CC1 ZINC000038680460 531110935 /nfs/dbraw/zinc/11/09/35/531110935.db2.gz VNNUGGXDTHILDD-UHFFFAOYSA-N 0 0 377.869 0.715 40 0 GCABRN Cn1nnc(NC(=S)NC(=O)c2ccccc2I)n1 ZINC000006925569 209707733 /nfs/dbraw/zinc/70/77/33/209707733.db2.gz SMLWGXQYRUUQCI-UHFFFAOYSA-N 0 0 388.194 0.942 40 0 GCABRN CO[C@H]1[C@@H](COC(C)=O)O[C@@H](n2cnc3c2nc[nH]c3=S)[C@H]1OC(C)=O ZINC000004963111 209552300 /nfs/dbraw/zinc/55/23/00/209552300.db2.gz WXKATFNIWVHVSU-CKRXIKOQSA-N 0 0 382.398 0.896 40 0 GCABRN CC1(C)C(=O)NC(=S)N2C(=O)C[C@H](C(=O)Nc3ccc4c(c3)OCO4)N21 ZINC000010153629 209321783 /nfs/dbraw/zinc/32/17/83/209321783.db2.gz NWARYRFUPJWTNB-SECBINFHSA-N 0 0 376.394 0.776 40 0 GCABRN Cn1nnc(NC(=S)NC(=O)c2cccc(I)c2)n1 ZINC000001255640 209317694 /nfs/dbraw/zinc/31/76/94/209317694.db2.gz MDPZNGVPZPELCZ-UHFFFAOYSA-N 0 0 388.194 0.942 40 0 GCABRN CCOC(=O)[C@@H]1CS[C@@H](CC(=O)Nc2ccc(C(=O)OC)cc2)C(=O)N1 ZINC000000851189 209271730 /nfs/dbraw/zinc/27/17/30/209271730.db2.gz MPWLVKLYSAQSJO-STQMWFEESA-N 0 0 380.422 0.965 40 0 GCABRN OC[C@H]1O[C@H](Oc2ccc3cc(Br)ccc3c2)[C@H](O)[C@@H](O)[C@@H]1O ZINC000004028710 209231372 /nfs/dbraw/zinc/23/13/72/209231372.db2.gz NLRXQZJJCPRATR-LJIZCISZSA-N 0 0 385.210 0.781 40 0 GCABRN Cc1cnc(C(=O)N2Cc3ccnn3C[C@H](CCNS(C)(=O)=O)C2)cn1 ZINC000306133268 212050068 /nfs/dbraw/zinc/05/00/68/212050068.db2.gz MGYTZIMDBPOQAR-CYBMUJFWSA-N 0 0 378.458 0.193 40 0 GCABRN Cc1cccc(C(=O)N2C[C@@H]3Cn4c(nn(CC5CCC5)c(=O)c4=O)[C@@H]3C2)n1 ZINC000306133349 212049912 /nfs/dbraw/zinc/04/99/12/212049912.db2.gz MJFFDINYFYMWKH-HUUCEWRRSA-N 0 0 381.436 0.778 40 0 GCABRN CN(C)C(=O)N1CCC2(CC1)CN(C(=O)c1cnccn1)Cc1cn(C)nc12 ZINC000306127430 212047394 /nfs/dbraw/zinc/04/73/94/212047394.db2.gz FYMIWSOYQVRHOZ-UHFFFAOYSA-N 0 0 383.456 0.881 40 0 GCABRN Cc1ccnc(OC[C@@H]2CCS(=O)(=O)C23CN(C(=O)c2cn(C)cn2)C3)n1 ZINC000306123850 212044120 /nfs/dbraw/zinc/04/41/20/212044120.db2.gz AYKQHXTTYFYWBK-ZDUSSCGKSA-N 0 0 391.453 0.227 40 0 GCABRN CN1CCCN(C(=O)c2cn3c(nc2=O)[C@]2(CC3)CCN(C(=O)C3CC3)C2)CC1 ZINC000306126282 212044781 /nfs/dbraw/zinc/04/47/81/212044781.db2.gz DROUVMJIVQMXMY-OAQYLSRUSA-N 0 0 399.495 0.305 40 0 GCABRN CN(C(=O)COc1ccc(F)c(Cl)c1)[C@@H]1CC[C@@H](N2CCNC(=O)C2)[C@@H]1O ZINC000257321511 212024616 /nfs/dbraw/zinc/02/46/16/212024616.db2.gz WBZFNVCBBNWQNK-IIDMSEBBSA-N 0 0 399.850 0.640 40 0 GCABRN COCC(=O)NC[C@]1(O)COCCN(C(=O)c2cc3cc(F)ccc3[nH]2)C1 ZINC000257314045 212024651 /nfs/dbraw/zinc/02/46/51/212024651.db2.gz UVCXJGURYRTTEX-GOSISDBHSA-N 0 0 379.388 0.273 40 0 GCABRN CCn1c(C)nc2cc(C(=O)N[C@@H]3CCC[C@@H](N4CCNC(=O)C4)[C@@H]3O)ccc21 ZINC000257320871 212024157 /nfs/dbraw/zinc/02/41/57/212024157.db2.gz VYYUEJCMYGYSNW-XFQXTVEOSA-N 0 0 399.495 0.808 40 0 GCABRN O=C(c1cc(-c2ccccc2)n[nH]1)N1CC[C@@H](O)[C@@H](O)[C@H](N2CCOCC2)C1 ZINC000257333014 212026720 /nfs/dbraw/zinc/02/67/20/212026720.db2.gz XZRFJSSHWLPBSG-QRVBRYPASA-N 0 0 386.452 0.345 40 0 GCABRN COCCN1CC=CC[C@H](C2CCN(C(=O)CCn3cnnn3)CC2)C1=O ZINC000257296911 212019549 /nfs/dbraw/zinc/01/95/49/212019549.db2.gz REZDUJHNBHXIJO-MRXNPFEDSA-N 0 0 376.461 0.353 40 0 GCABRN CCCCCn1c2c(nc1N1CCC(C(N)=O)CC1)n(C)c(=O)n(C)c2=O ZINC000001846119 203921583 /nfs/dbraw/zinc/92/15/83/203921583.db2.gz WASSPWIQUYTERZ-UHFFFAOYSA-N 0 0 376.461 0.326 40 0 GCABRN C[C@H](Cc1ccccc1)Nc1ncnc2c1ncn2[C@@H]1O[C@@H](CO)[C@@H](O)[C@H]1O ZINC000003874846 204021885 /nfs/dbraw/zinc/02/18/85/204021885.db2.gz RIRGCFBBHQEQQH-XGFPXAKYSA-N 0 0 385.424 0.481 40 0 GCABRN CC(=O)OC[C@@H]1O[C@@H](n2cc(C(F)(F)F)c(=O)[nH]c2=O)C[C@H]1OC(C)=O ZINC000004974690 204098527 /nfs/dbraw/zinc/09/85/27/204098527.db2.gz UNTYIYCXVYMWKI-OUAUKWLOSA-N 0 0 380.275 0.338 40 0 GCABRN COC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](CC(N)=O)NC(=O)OCc1ccccc1 ZINC000004994464 204100622 /nfs/dbraw/zinc/10/06/22/204100622.db2.gz HUBNAZBHTDOFGE-HUUCEWRRSA-N 0 0 393.440 0.861 40 0 GCABRN CO[C@@H]1O[C@H]([C@@H](OC(C)=O)[C@H](C)OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000005047993 204107371 /nfs/dbraw/zinc/10/73/71/204107371.db2.gz SNCROMAUUJJJEB-RJKMOYKUSA-N 0 0 376.358 0.104 40 0 GCABRN CCOCCCNC(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000006350679 204175410 /nfs/dbraw/zinc/17/54/10/204175410.db2.gz CGVDGYLALWKLAD-UHFFFAOYSA-N 0 0 386.470 0.629 40 0 GCABRN CCCNS(=O)(=O)c1ccc(OCC(=O)N2CCC(C(N)=O)CC2)cc1 ZINC000006880373 204219116 /nfs/dbraw/zinc/21/91/16/204219116.db2.gz AQTFKQDUNNDXIP-UHFFFAOYSA-N 0 0 383.470 0.478 40 0 GCABRN Cc1ccc2c(c1)C(=O)N[C@@]1(CCC(=O)N(CC(=O)N3CCOCC3)CC1)O2 ZINC000012085703 204370257 /nfs/dbraw/zinc/37/02/57/204370257.db2.gz YOLIISGUORGFGP-FQEVSTJZSA-N 0 0 387.436 0.685 40 0 GCABRN CC(=O)N1CC2(CCN(C(=O)Cn3ccc(=O)[nH]c3=O)CC2)Nc2ccccc21 ZINC000012086148 204370808 /nfs/dbraw/zinc/37/08/08/204370808.db2.gz OPTYUFNCFMWDLF-UHFFFAOYSA-N 0 0 397.435 0.376 40 0 GCABRN O=c1[nH]c(N2CCCCC2)nc2c1CN(Cc1nnnn1Cc1ccco1)CC2 ZINC000012144543 204375055 /nfs/dbraw/zinc/37/50/55/204375055.db2.gz WRNHESWTMWAHOT-UHFFFAOYSA-N 0 0 396.455 0.946 40 0 GCABRN C[C@@H](Cn1nnn(-c2ccccc2)c1=O)NC(=O)c1n[nH]c(=O)c2ccccc21 ZINC000012186183 204379975 /nfs/dbraw/zinc/37/99/75/204379975.db2.gz PLPNGXIFXXYFNR-LBPRGKRZSA-N 0 0 391.391 0.484 40 0 GCABRN O=C(CN1CSCC1=O)NCCc1cc2nc(-c3ccncc3)ccn2n1 ZINC000013268277 204485929 /nfs/dbraw/zinc/48/59/29/204485929.db2.gz HPSTUXAGDFBDSO-UHFFFAOYSA-N 0 0 382.449 0.983 40 0 GCABRN CNC(=O)[C@H]1CN(C(=O)CCn2nc(C)nc2C)CCN1Cc1ccccc1 ZINC000257249116 212010890 /nfs/dbraw/zinc/01/08/90/212010890.db2.gz JGWNXEWODMLGFL-GOSISDBHSA-N 0 0 384.484 0.744 40 0 GCABRN CC(=O)N1CCN(C(=O)c2ccccc2Cn2cccn2)C[C@@H]1C(=O)N(C)C ZINC000257251087 212010546 /nfs/dbraw/zinc/01/05/46/212010546.db2.gz JPIIVNQCYRVRHB-GOSISDBHSA-N 0 0 383.452 0.693 40 0 GCABRN OC[C@@H]1O[C@@H](O[C@@H]2C[C@H](c3ccccc3)O[C@@H]3CCC[C@H]32)[C@H](O)[C@H](O)[C@H]1O ZINC000257239879 212009532 /nfs/dbraw/zinc/00/95/32/212009532.db2.gz HREUTUWILNMRSM-JGRDWBAHSA-N 0 0 380.437 0.502 40 0 GCABRN CN(C)C(=O)[C@@H]1CN(C(=O)CCS(=O)(=O)c2ccc(F)cc2)CCN1C ZINC000257241179 212008837 /nfs/dbraw/zinc/00/88/37/212008837.db2.gz HWYXGPSWWPUNCI-HNNXBMFYSA-N 0 0 385.461 0.220 40 0 GCABRN Cn1c(=O)c2ccc([C@@H]3CN(C(=O)Cc4ccccc4)CCO3)nc2n(C)c1=O ZINC000257243871 212008566 /nfs/dbraw/zinc/00/85/66/212008566.db2.gz IIXSTXQMFSLVPV-KRWDZBQOSA-N 0 0 394.431 0.775 40 0 GCABRN Cc1nc2ccccc2n1CC(=O)N1C[C@@H](O)[C@H](n2cc(C)c(=O)[nH]c2=O)C1 ZINC000257209026 212003567 /nfs/dbraw/zinc/00/35/67/212003567.db2.gz BOQXLNQMDATMOQ-HZPDHXFCSA-N 0 0 383.408 0.360 40 0 GCABRN CN(C)c1ncc2c(cc(C3CCN(C(=O)[C@@H]4CC(=O)N(C)C4)CC3)[nH]c2=O)n1 ZINC000019587191 204661997 /nfs/dbraw/zinc/66/19/97/204661997.db2.gz LVYSGZAPEASDCX-CYBMUJFWSA-N 0 0 398.467 0.568 40 0 GCABRN O=CN1CCN(C(=O)C2CCN(S(=O)(=O)Cc3ccccc3F)CC2)CC1 ZINC000019868572 204689943 /nfs/dbraw/zinc/68/99/43/204689943.db2.gz IGUZIPYSBQXVAF-UHFFFAOYSA-N 0 0 397.472 0.668 40 0 GCABRN CNC(=O)[C@@H]1C(=O)C[C@](C)(O)[C@@H](C(=O)NC)[C@H]1c1ccc(Br)cc1 ZINC000036556747 205018324 /nfs/dbraw/zinc/01/83/24/205018324.db2.gz VVHUDXYAOJMQET-CFAJVAMVSA-N 0 0 397.269 0.981 40 0 GCABRN Cc1nn(C)cc1[C@@H]1C[C@@H](C(=O)Nc2cc(C)ccc2O)N(C)S(=O)(=O)N1 ZINC000072335115 205327022 /nfs/dbraw/zinc/32/70/22/205327022.db2.gz NYYBSFKMQZQVKS-ZFWWWQNUSA-N 0 0 393.469 0.961 40 0 GCABRN Cc1c([C@H]2C[C@@H](C(=O)NCc3cccs3)N(C)S(=O)(=O)N2)cnn1C ZINC000072335092 205327392 /nfs/dbraw/zinc/32/73/92/205327392.db2.gz NLBSOYLOSOSANV-KGLIPLIRSA-N 0 0 383.499 0.686 40 0 GCABRN CCN1CCN(C(=O)[C@H]2C[C@@H](c3ccc(OC)cc3)NS(=O)(=O)N2C)CC1 ZINC000072335001 205328347 /nfs/dbraw/zinc/32/83/47/205328347.db2.gz ZXVQBVWBDXHAFN-DLBZAZTESA-N 0 0 396.513 0.439 40 0 GCABRN Cc1nn(C)cc1[C@@H]1C[C@H](C(=O)Nc2cc(C)ccc2O)N(C)S(=O)(=O)N1 ZINC000072335116 205328664 /nfs/dbraw/zinc/32/86/64/205328664.db2.gz NYYBSFKMQZQVKS-DZGCQCFKSA-N 0 0 393.469 0.961 40 0 GCABRN Cn1cc(C(=O)N2CCCC[C@@H]2c2ccc3c(=O)n(C)c(=O)n(C)c3n2)cn1 ZINC000072374613 205337153 /nfs/dbraw/zinc/33/71/53/205337153.db2.gz KHGRDZVHCPNKIK-OAHLLOKOSA-N 0 0 382.424 0.733 40 0 GCABRN Nc1cc(-c2c[nH]nc2[C@H]2CN(S(=O)(=O)N3CCCC3)CCO2)ccn1 ZINC000072391968 205341356 /nfs/dbraw/zinc/34/13/56/205341356.db2.gz PNDDQAFUAXNKLN-CQSZACIVSA-N 0 0 378.458 0.768 40 0 GCABRN CC1=NN(C)[C@H]2C(N3CCN(CC(=O)Nc4ccc(F)cc4)CC3)=NC=N[C@H]12 ZINC000082086860 205386172 /nfs/dbraw/zinc/38/61/72/205386172.db2.gz LAKVTKCYGVWWTR-QZTJIDSGSA-N 0 0 385.447 0.881 40 0 GCABRN C[C@H](C(=O)NCCCN1CCOCC1)N(c1cccc(F)c1)S(C)(=O)=O ZINC000220480663 211786862 /nfs/dbraw/zinc/78/68/62/211786862.db2.gz OBUWRKZJDIBFBO-CQSZACIVSA-N 0 0 387.477 0.819 40 0 GCABRN CCS(=O)(=O)N1CCC2(CN(c3ncccn3)C[C@]23CCN(C)C3=O)CC1 ZINC000096036385 205516751 /nfs/dbraw/zinc/51/67/51/205516751.db2.gz JFCGFGFYWATGLK-SFHVURJKSA-N 0 0 393.513 0.577 40 0 GCABRN COC(CNS(=O)(=O)c1ccc(S(=O)(=O)NCC(C)C)cc1)OC ZINC000001330370 205707632 /nfs/dbraw/zinc/70/76/32/205707632.db2.gz DUWYCXWVMDMPDQ-UHFFFAOYSA-N 0 0 380.488 0.518 40 0 GCABRN O=c1cccc2n1C[C@H]1C[C@@H]2CN(C(=S)NCCCN2CCOCC2)C1 ZINC000208217379 205923945 /nfs/dbraw/zinc/92/39/45/205923945.db2.gz BSJLKYPFMHHRIC-JKSUJKDBSA-N 0 0 376.526 0.864 40 0 GCABRN CCNS(=O)(=O)c1cc(C(=O)NCCSc2nc[nH]n2)ccc1OC ZINC000222912853 205989773 /nfs/dbraw/zinc/98/97/73/205989773.db2.gz TXCRFTBHFBUEPR-UHFFFAOYSA-N 0 0 385.471 0.634 40 0 GCABRN COCCNC(=S)Nc1nc(N2CCOCC2)cc(N2CCOCC2)n1 ZINC000225897852 206083915 /nfs/dbraw/zinc/08/39/15/206083915.db2.gz UAPNOSYHSFCMIJ-UHFFFAOYSA-N 0 0 382.490 0.083 40 0 GCABRN Cc1nc(SCCNC(=O)CN(C2CCCCC2)S(C)(=O)=O)n[nH]1 ZINC000226040628 206086571 /nfs/dbraw/zinc/08/65/71/206086571.db2.gz OYEQNEZNHOMEJX-UHFFFAOYSA-N 0 0 375.520 0.916 40 0 GCABRN COc1ccc(S(=O)(=O)N(C)CC(=O)NCCSc2n[nH]c(C)n2)cc1 ZINC000226035287 206087873 /nfs/dbraw/zinc/08/78/73/206087873.db2.gz VFKRUFWNCSKYTP-UHFFFAOYSA-N 0 0 399.498 0.651 40 0 GCABRN COCCNC(=O)[C@@H]1CCC[C@@H](NC(=O)c2cccnc2)CN(C)C(=O)C1 ZINC000096113286 206117669 /nfs/dbraw/zinc/11/76/69/206117669.db2.gz HPBMAESUNBLLJX-GDBMZVCRSA-N 0 0 376.457 0.591 40 0 biogenic,in-vitro GCABRN CN(Cc1ccccc1)C(=O)C[C@@H]1O[C@H](CNC(=O)c2ccccc2)[C@@H](O)[C@H]1O ZINC000012603576 211687700 /nfs/dbraw/zinc/68/77/00/211687700.db2.gz FVBCSNDRIAAOOI-IZZBFERCSA-N 0 0 398.459 0.954 40 0 biogenic,in-vitro GCABRN CS(=O)(=O)NC[C@@H]1CN(C(=O)CCOc2ccccc2)Cc2cncn21 ZINC000247559717 206134173 /nfs/dbraw/zinc/13/41/73/206134173.db2.gz YIBYQKFAGQWQPH-OAHLLOKOSA-N 0 0 378.454 0.785 40 0 GCABRN Cc1nn(C)c(C)c1NC(=O)CN1CCN(Cc2ccccc2)C[C@@H]1C(N)=O ZINC000257200571 206157315 /nfs/dbraw/zinc/15/73/15/206157315.db2.gz ADVRZMKZEPDEFR-QGZVFWFLSA-N 0 0 384.484 0.647 40 0 GCABRN CN(CC1(O)CCN(c2cccc3nccn32)CC1)C(=O)CC[C@H]([NH3+])C(=O)[O-] ZINC000257214100 206161931 /nfs/dbraw/zinc/16/19/31/206161931.db2.gz CKMZHOUOMJVYCW-AWEZNQCLSA-N 0 0 389.456 0.316 40 0 GCABRN CN(C)C(=O)c1cnn2c1nccc2[C@H]1CCCN(S(=O)(=O)N(C)C)C1 ZINC000257295473 206175311 /nfs/dbraw/zinc/17/53/11/206175311.db2.gz QYKWBFNDDFYSLS-LBPRGKRZSA-N 0 0 380.474 0.417 40 0 GCABRN CC(=O)Nc1nc(C(=O)N2CCC([C@@H]3NC(=O)N[C@H]4OCC[C@H]43)CC2)cs1 ZINC000257312117 206177892 /nfs/dbraw/zinc/17/78/92/206177892.db2.gz UMOXQOBGBKYNEI-UBHSHLNASA-N 0 0 393.469 0.998 40 0 GCABRN CC(=O)NC1(CC(=O)N2CCOC[C@]3(CC(C(N)=O)=C(C)O3)C2)CCCCC1 ZINC000257232614 206163227 /nfs/dbraw/zinc/16/32/27/206163227.db2.gz GLPWWKJXXUAWFS-FQEVSTJZSA-N 0 0 393.484 0.993 40 0 GCABRN Cn1c(=O)c2ccc([C@H]3CN(C(=O)Cc4ccccn4)CCO3)nc2n(C)c1=O ZINC000257242454 206163812 /nfs/dbraw/zinc/16/38/12/206163812.db2.gz ICNYNJFQYLZWMU-MRXNPFEDSA-N 0 0 395.419 0.170 40 0 GCABRN O=S(=O)(N1CCOCC1)N1CCO[C@@H](c2cccc(-c3cncnc3)n2)C1 ZINC000257240551 206165170 /nfs/dbraw/zinc/16/51/70/206165170.db2.gz HUBBLNJFNKWZAM-QGZVFWFLSA-N 0 0 391.453 0.489 40 0 GCABRN NC(=O)[C@]1(c2ccccn2)CCCN(CC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)C1 ZINC000257243863 206166446 /nfs/dbraw/zinc/16/64/46/206166446.db2.gz IIXHMFOESVETDQ-HXUWFJFHSA-N 0 0 394.435 0.709 40 0 GCABRN Cc1nc2cc(CCC(=O)N3C[C@@H](O)[C@H](n4cc(C)c(=O)[nH]c4=O)C3)ccc2[nH]1 ZINC000257255111 206167473 /nfs/dbraw/zinc/16/74/73/206167473.db2.gz KGDMYQRWBNKUEG-IAGOWNOFSA-N 0 0 397.435 0.819 40 0 GCABRN COCCNC(=O)[C@H]1CN(C(=O)COC)C[C@H]1c1ccnc(N2CCCC2)n1 ZINC000257264813 206169551 /nfs/dbraw/zinc/16/95/51/206169551.db2.gz LWCASSJKIBJXKO-CABCVRRESA-N 0 0 391.472 0.028 40 0 GCABRN Cc1cn([C@@H]2CN(C(=O)c3ccc4[nH]cnc4c3)CC[C@@]2(C)O)c(=O)[nH]c1=O ZINC000257267334 206170552 /nfs/dbraw/zinc/17/05/52/206170552.db2.gz MGVMJWXIKFIKLO-DNVCBOLYSA-N 0 0 383.408 0.972 40 0 GCABRN NC(=O)[C@H]1CN(C(=O)CCN2C(=O)CCCC2=O)CCN1Cc1ccccc1 ZINC000257343816 206181479 /nfs/dbraw/zinc/18/14/79/206181479.db2.gz ZUNIMGMRDXOYBM-MRXNPFEDSA-N 0 0 386.452 0.114 40 0 GCABRN Cc1nc(N)sc1C(=O)N1CCOC[C@@](O)(CNC(=O)c2ccccn2)C1 ZINC000257342732 206182313 /nfs/dbraw/zinc/18/23/13/206182313.db2.gz ZPXGMHVNLRIIPJ-QGZVFWFLSA-N 0 0 391.453 0.062 40 0 GCABRN COCCN1C(=O)Cc2c1nc([C@@]1(C)CCCN(S(C)(=O)=O)C1)nc2C ZINC000257342161 206180887 /nfs/dbraw/zinc/18/08/87/206180887.db2.gz ZNJGAWXTKMNDNF-KRWDZBQOSA-N 0 0 382.486 0.634 40 0 GCABRN COCCN1CC[C@]2(CN(C(=O)c3ccnn3C)C[C@@H]2c2cn(C)cn2)C1=O ZINC000306141035 206205007 /nfs/dbraw/zinc/20/50/07/206205007.db2.gz VJNRHNGWHLYVKE-AUUYWEPGSA-N 0 0 386.456 0.258 40 0 GCABRN Cn1cnc(S(=O)(=O)N2CC3(C2)CC[C@@H](CNc2ncccn2)CO3)c1 ZINC000306125019 206196880 /nfs/dbraw/zinc/19/68/80/206196880.db2.gz CESZXUGQLCXUTB-ZDUSSCGKSA-N 0 0 378.458 0.492 40 0 GCABRN COc1ncccc1CN1CC[C@@]2(C1)Cn1c(=O)c(=O)n(CC3CC3)nc1CO2 ZINC000306124463 206197658 /nfs/dbraw/zinc/19/76/58/206197658.db2.gz BQLCNVIOHAFSIW-HXUWFJFHSA-N 0 0 399.451 0.394 40 0 GCABRN COc1ccc(Cn2nc3n(c(=O)c2=O)C[C@@]2(CCN(C(=O)C4CC4)C2)C3)cc1 ZINC000306129704 206199175 /nfs/dbraw/zinc/19/91/75/206199175.db2.gz IKLKMKNPQZVWII-NRFANRHFSA-N 0 0 396.447 0.647 40 0 GCABRN CC(C)[C@@H](C)NC(=O)c1cn2c(nc1=O)[C@]1(CC2)CCN(S(C)(=O)=O)C1 ZINC000306131863 206201304 /nfs/dbraw/zinc/20/13/04/206201304.db2.gz KRMSHDYSHZAXOK-SJKOYZFVSA-N 0 0 382.486 0.324 40 0 GCABRN Cc1nc[nH]c1C(=O)N1CC2(C1)[C@H](COc1nccc(C)n1)CCS2(=O)=O ZINC000306135330 206203004 /nfs/dbraw/zinc/20/30/04/206203004.db2.gz ONSKPCVHFRMWJR-ZDUSSCGKSA-N 0 0 391.453 0.525 40 0 GCABRN CCn1c(SCC(=O)Nc2nccs2)nc2c1c(=O)n(C)c(=O)n2C ZINC000006198437 211626004 /nfs/dbraw/zinc/62/60/04/211626004.db2.gz GUXDHFSRUDGANJ-UHFFFAOYSA-N 0 0 380.455 0.641 40 0 GCABRN COCCNC(=S)N(CCO)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 ZINC000004160433 211534421 /nfs/dbraw/zinc/53/44/21/211534421.db2.gz ZMGRTHCJOWOAIH-UHFFFAOYSA-N 0 0 379.438 0.572 40 0 GCABRN O=S(=O)(NC[C@@H]1CCCO1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000000922643 211498065 /nfs/dbraw/zinc/49/80/65/211498065.db2.gz FHILQTOWPAZAEA-ZDUSSCGKSA-N 0 0 390.483 0.165 40 0 GCABRN CS(=O)(=O)N1CC2(CCN(C(=O)c3cccnc3)CC2)[C@]2(CCNC2=O)C1 ZINC000096262548 211326564 /nfs/dbraw/zinc/32/65/64/211326564.db2.gz AHBKAAXWGZDAOR-GOSISDBHSA-N 0 0 392.481 0.086 40 0 GCABRN COCC(=O)N1CCC2(CC1)O[C@@H](C(=O)NCc1cccnc1)Cn1ccnc12 ZINC000096243835 211325289 /nfs/dbraw/zinc/32/52/89/211325289.db2.gz CAQZDGSLMABTOG-MRXNPFEDSA-N 0 0 399.451 0.457 40 0 GCABRN Cn1cc(CN2C[C@H]3C[C@H]4[C@@](CN(Cc5ccncc5)S4(=O)=O)(C2)O3)cn1 ZINC000096037204 211296216 /nfs/dbraw/zinc/29/62/16/211296216.db2.gz DJELLZZAYJLFMG-SQNIBIBYSA-N 0 0 389.481 0.373 40 0 GCABRN CCN1CC[C@@]2(CN(c3ncccn3)CC23CCN(S(C)(=O)=O)CC3)C1=O ZINC000096036447 211295388 /nfs/dbraw/zinc/29/53/88/211295388.db2.gz POIBRQNTVIFHLS-GOSISDBHSA-N 0 0 393.513 0.577 40 0 GCABRN CCN1C[C@]2(CC1=O)CN(C(=O)c1cccn1C)CCN(C(=O)N(C)C)C2 ZINC000096036225 211294531 /nfs/dbraw/zinc/29/45/31/211294531.db2.gz ZCGRIXDRBWCZGZ-LJQANCHMSA-N 0 0 375.473 0.703 40 0 GCABRN COCCN1[C@]2(CCN(S(=O)(=O)C3CC3)C2)c2ccccc2S1(=O)=O ZINC000096143047 211308901 /nfs/dbraw/zinc/30/89/01/211308901.db2.gz DPWRGBVKKXASKA-INIZCTEOSA-N 0 0 386.495 0.731 40 0 GCABRN O=C(c1ccncc1)N1CCC2(CC1)NC(=O)[C@H]1CN(c3ncccn3)C[C@H]12 ZINC000096143522 211308168 /nfs/dbraw/zinc/30/81/68/211308168.db2.gz RAANPDOCGHOCNS-JKSUJKDBSA-N 0 0 378.436 0.729 40 0 GCABRN COc1ccc(C(=O)N2CCN(C(=O)N(C)C)C[C@@]3(CC(=O)N(C)C3)C2)cc1 ZINC000096143421 211308261 /nfs/dbraw/zinc/30/82/61/211308261.db2.gz GUYQPDGZKPAAJA-HXUWFJFHSA-N 0 0 388.468 0.983 40 0 GCABRN CNC(=O)N1CCC2(CC[C@@]3(C(=O)N(C)C)CN(S(C)(=O)=O)C[C@@H]23)CC1 ZINC000096143748 211308024 /nfs/dbraw/zinc/30/80/24/211308024.db2.gz SUYXOXZNFXHFEE-SUMWQHHRSA-N 0 0 386.518 0.168 40 0 GCABRN CC1(C)O[C@H]2[C@@H](CO)O[C@@H](n3c(Br)nc4c3ncnc4N)[C@H]2O1 ZINC000095949869 211285255 /nfs/dbraw/zinc/28/52/55/211285255.db2.gz GDKUQUVKGLVGBN-LEIICMHDSA-N 0 0 386.206 0.581 40 0 GCABRN C[C@H]1CCC[C@H](C)N1C(=O)Cn1c2ccccc2n2c1nn(CC(N)=O)c2=O ZINC000072347050 211095186 /nfs/dbraw/zinc/09/51/86/211095186.db2.gz ICZMTPIFUZIXAC-STQMWFEESA-N 0 0 384.440 0.726 40 0 GCABRN O=C(Cn1ncc2ccccc2c1=O)NCCn1nnn(-c2cccs2)c1=O ZINC000072341029 211094049 /nfs/dbraw/zinc/09/40/49/211094049.db2.gz DRQQQFRGYFHAKC-UHFFFAOYSA-N 0 0 397.420 0.017 40 0 GCABRN Cc1nc2cc(-c3nccn3C)nn2c(NC[C@@H](O)CN2CCOCC2)c1C ZINC000072338522 211093385 /nfs/dbraw/zinc/09/33/85/211093385.db2.gz ZXNGZUFMIGZPRW-OAHLLOKOSA-N 0 0 385.472 0.852 40 0 GCABRN O=C(CN1CCCC1=O)N1CCC[C@@H]([C@H]2Nc3ccccc3S(=O)(=O)N2)C1 ZINC000072342565 211092725 /nfs/dbraw/zinc/09/27/25/211092725.db2.gz AQZAXVNKFZXTFE-ACJLOTCBSA-N 0 0 392.481 0.578 40 0 GCABRN CCOC(=O)C1CCN(C(=O)[C@@H]2CCCN(S(=O)(=O)N(C)C)C2)CC1 ZINC000030853369 210559886 /nfs/dbraw/zinc/55/98/86/210559886.db2.gz QYJNZHZQAWXNQC-CQSZACIVSA-N 0 0 375.491 0.307 40 0 GCABRN COc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)N1CCN(C=O)CC1 ZINC000408701030 533044917 /nfs/dbraw/zinc/04/49/17/533044917.db2.gz QHVGCYSOXXCJMK-UHFFFAOYSA-N 0 0 381.454 0.394 40 0 GCABRN CN(C)S(=O)(=O)N(CC(=O)NCCCn1ccnc1)c1ccc(F)cc1 ZINC000020245427 210323578 /nfs/dbraw/zinc/32/35/78/210323578.db2.gz MFVOUZXUWQXZSA-UHFFFAOYSA-N 0 0 383.449 0.842 40 0 GCABRN O=C(Cn1cccn1)N[C@H]1CCc2ccc(S(=O)(=O)N3CCOCC3)cc21 ZINC000019749506 210293839 /nfs/dbraw/zinc/29/38/39/210293839.db2.gz XAXDEMCJOIEZFP-KRWDZBQOSA-N 0 0 390.465 0.708 40 0 GCABRN Cc1nnsc1C(=O)N1CCO[C@H](C(=O)N(C)CCc2ccccn2)C1 ZINC000019745282 210291874 /nfs/dbraw/zinc/29/18/74/210291874.db2.gz PHGRCIJFBIHVSI-AWEZNQCLSA-N 0 0 375.454 0.784 40 0 GCABRN O=c1[nH]cc(S(=O)(=O)N2CCN(Cc3ccccc3Cl)CC2)c(=O)[nH]1 ZINC000019716003 210287860 /nfs/dbraw/zinc/28/78/60/210287860.db2.gz HDDFVVYMFROLAR-UHFFFAOYSA-N 0 0 384.845 0.223 40 0 GCABRN COCCNC(=O)CN1CC[C@]2(CCC1=O)CNC(=O)c1ccccc1O2 ZINC000019593480 210275367 /nfs/dbraw/zinc/27/53/67/210275367.db2.gz BLWAMVIBHWUCEM-LJQANCHMSA-N 0 0 375.425 0.323 40 0 GCABRN CN(C)C(=O)CN1CCN(C(=O)[C@H]2CC(=O)N(c3cccc(F)c3)C2)CC1 ZINC000019581235 210269561 /nfs/dbraw/zinc/26/95/61/210269561.db2.gz CQEOTGFSHMUALA-AWEZNQCLSA-N 0 0 376.432 0.411 40 0 GCABRN CS(=O)(=O)c1cnc2ncnn2c1C1CCN(C(=O)c2cccnc2)CC1 ZINC000012118869 221153043 /nfs/dbraw/zinc/15/30/43/221153043.db2.gz YJJNGPYOTSVLJY-UHFFFAOYSA-N 0 0 386.437 0.943 40 0 GCABRN COc1ccc([C@@]2(O)CC[C@@H]3CN(C(=O)Cn4ccc(=O)[nH]c4=O)C[C@@H]32)cc1 ZINC000012121210 221154215 /nfs/dbraw/zinc/15/42/15/221154215.db2.gz HWEMBRMTCZTUSM-PSGMQZRDSA-N 0 0 385.420 0.301 40 0 GCABRN CS(=O)(=O)N1CCC[C@H](C(=O)Nc2ccccc2C(=O)N2CCOCC2)C1 ZINC000113972633 533390134 /nfs/dbraw/zinc/39/01/34/533390134.db2.gz WSGQPARBGCQNIN-AWEZNQCLSA-N 0 0 395.481 0.769 40 0 GCABRN CS(=O)(=O)N(CCc1ccccc1)CC(=O)NCCCN1CCOCC1 ZINC000408622613 533379255 /nfs/dbraw/zinc/37/92/55/533379255.db2.gz PPBNLLIJCVVBLM-UHFFFAOYSA-N 0 0 383.514 0.329 40 0 GCABRN CC(=O)N1CC(=O)N(c2ccccc2)C[C@@]12CCN(C(=O)c1cnccn1)C2 ZINC000096050161 136183390 /nfs/dbraw/zinc/18/33/90/136183390.db2.gz GZDVWLYAJIBLFD-FQEVSTJZSA-N 0 0 379.420 0.957 40 0 GCABRN Cc1cc(C(=O)N2CC[C@@]3(C2)COCc2cnc(N4CCOCC4)nc23)no1 ZINC000096244160 136185631 /nfs/dbraw/zinc/18/56/31/136185631.db2.gz OVKJLQNMKBICHH-LJQANCHMSA-N 0 0 385.424 0.924 40 0 GCABRN Cc1nc(N2CCOCC2)nc2c1COC[C@@]21CCN(S(=O)(=O)C2CC2)C1 ZINC000096244619 136185647 /nfs/dbraw/zinc/18/56/47/136185647.db2.gz MZHFKCJKKAIPAR-SFHVURJKSA-N 0 0 394.497 0.588 40 0 GCABRN CNC(=O)N1C[C@@H]2c3nc(N4CCC[C@@H](C)C4)ncc3CS(=O)(=O)[C@@H]2C1 ZINC000096252036 136185818 /nfs/dbraw/zinc/18/58/18/136185818.db2.gz AUKNDJOAGIAKLM-KWCYVHTRSA-N 0 0 379.486 0.749 40 0 GCABRN COCC(=O)N1CCC2(CC3(CCN(c4ncccn4)CC3)C(=O)N2C)CC1 ZINC000096262356 136185840 /nfs/dbraw/zinc/18/58/40/136185840.db2.gz KYNDIOSRKCRSGN-UHFFFAOYSA-N 0 0 387.484 0.933 40 0 GCABRN Cc1noc(C)c1S(=O)(=O)N1CCc2cnc(N3CCOCC3)nc2C1 ZINC000217624738 136203487 /nfs/dbraw/zinc/20/34/87/136203487.db2.gz HYQQNLRGBMOAHW-UHFFFAOYSA-N 0 0 379.442 0.665 40 0 GCABRN CCS(=O)(=O)N1C[C@H](C(=O)NCCCN2CCOCC2)Oc2ccccc21 ZINC000218787753 136203775 /nfs/dbraw/zinc/20/37/75/136203775.db2.gz YLBBBUXQYCFUCB-QGZVFWFLSA-N 0 0 397.497 0.442 40 0 GCABRN Cc1cc(N2CCOCC2)nc(CNC(=O)c2cc(-n3cccn3)nc(C)n2)n1 ZINC000224184576 136206444 /nfs/dbraw/zinc/20/64/44/136206444.db2.gz CUWJBFLTAVSMFE-UHFFFAOYSA-N 0 0 394.439 0.836 40 0 GCABRN Cc1nc(C(=O)NCc2ccnc(N3CCOCC3)n2)cc(-n2cccn2)n1 ZINC000224223786 136206596 /nfs/dbraw/zinc/20/65/96/136206596.db2.gz HFKBCRSYVHVVGI-UHFFFAOYSA-N 0 0 380.412 0.527 40 0 GCABRN CC(C)NC(=O)[C@H](C)Oc1ccc(S(=O)(=O)NCCN2CCOCC2)cc1 ZINC000408612116 527712757 /nfs/dbraw/zinc/71/27/57/527712757.db2.gz YMKUKBXGOHZTJH-HNNXBMFYSA-N 0 0 399.513 0.589 40 0 GCABRN CCOc1cc(/C=C2/NC(=O)N(CC(=O)OC)C2=O)ccc1OCC(=O)OC ZINC000408549457 528194452 /nfs/dbraw/zinc/19/44/52/528194452.db2.gz TYEBFHOHZHXSKR-KPKJPENVSA-N 0 0 392.364 0.703 40 0 GCABRN CCOC(=O)Nc1cc(S(=O)(=O)NCCN2CCOCC2)ccc1OC ZINC000408586200 529105797 /nfs/dbraw/zinc/10/57/97/529105797.db2.gz MMHPDMLAAFRFRZ-UHFFFAOYSA-N 0 0 387.458 0.874 40 0 GCABRN CCCCS(=O)(=O)N(C)CC(=O)Nc1cnc(N2CCN(C)CC2)nc1 ZINC000224278974 535329190 /nfs/dbraw/zinc/32/91/90/535329190.db2.gz BHBMAHXCERWPEC-UHFFFAOYSA-N 0 0 384.506 0.229 40 0 GCABRN O=C(c1cccnc1)N1C[C@@H]2C[C@@H](O)CN2C2(CN(Cc3ccccn3)C2)C1 ZINC000514290323 560029775 /nfs/dbraw/zinc/02/97/75/560029775.db2.gz XHNIFLRUFIHCSD-RBUKOAKNSA-N 0 0 379.464 0.622 40 0 biogenic,in-vitro GCABRN COc1ccc(S(=O)(=O)N[C@H]2CO[C@@H](CN3CCC(F)(F)C3)[C@@H]2O)cc1 ZINC000514288926 560033605 /nfs/dbraw/zinc/03/36/05/560033605.db2.gz KDKLHESDIJPTOL-SOUVJXGZSA-N 0 0 392.424 0.443 40 0 biogenic,in-vitro GCABRN CC(=O)N1CCCN(C[C@@H]2OC[C@H](NC(=O)c3ccc(Cl)cc3)[C@H]2O)CC1 ZINC000514288640 560034256 /nfs/dbraw/zinc/03/42/56/560034256.db2.gz JQVCSBDLKPAYRP-OKZBNKHCSA-N 0 0 395.887 0.752 40 0 biogenic,in-vitro GCABRN O=C1[C@@H]2C[C@@H](O)CN2C2(CN(Cc3cccs3)C2)C(=O)N1Cc1cccnc1 ZINC000225382685 560044134 /nfs/dbraw/zinc/04/41/34/560044134.db2.gz OWWWTKHWOSBWQW-WBVHZDCISA-N 0 0 398.488 0.702 40 0 biogenic,in-vitro GCABRN CS(=O)(=O)c1ccc(OC[C@@]2(CNC(=O)C3CCC3)C[C@@H](O)[C@@H](O)C2)cc1 ZINC000107283791 560044720 /nfs/dbraw/zinc/04/47/20/560044720.db2.gz HYRBUCSRKRWKFU-DZFIZOCASA-N 0 0 397.493 0.887 40 0 biogenic,in-vitro GCABRN Cn1ccnc1CN1C[C@H]2CN(C(=O)c3ccc4c(c3)OCO4)CCN2C1=O ZINC000096269102 560054110 /nfs/dbraw/zinc/05/41/10/560054110.db2.gz JVQMDHZIJLWUTA-CQSZACIVSA-N 0 0 383.408 0.911 40 0 biogenic,in-vitro GCABRN CC(C)NC(=O)C[C@@H]1O[C@H](CNC(=O)Nc2ccc(F)cc2F)[C@@H](O)[C@H]1O ZINC000008643320 560210673 /nfs/dbraw/zinc/21/06/73/560210673.db2.gz IERHLIIHONHHAS-LQKXBSAESA-N 0 0 387.383 0.490 40 0 biogenic,in-vitro GCABRN CC(C)NC(=O)NC[C@H]1O[C@@H](Cc2nc(-c3ccc(F)cc3)no2)[C@H](O)[C@@H]1O ZINC000012603468 560213276 /nfs/dbraw/zinc/21/32/76/560213276.db2.gz MFEJDPJURGODKH-LQKXBSAESA-N 0 0 394.403 0.615 40 0 biogenic,in-vitro GCABRN CC(=O)N1CCN(C(=O)C[C@@H]2CC[NH2+]C[C@@H]2Cc2cc(C(=O)[O-])on2)CC1 ZINC000015672829 560230556 /nfs/dbraw/zinc/23/05/56/560230556.db2.gz AZGXGELTAXFYMI-KBPBESRZSA-N 0 0 378.429 0.222 40 0 biogenic,in-vitro GCABRN Cc1cccn2cc(C(=O)N3CCN(S(=O)(=O)N4CCCC4)CC3)nc12 ZINC000019719211 570210599 /nfs/dbraw/zinc/21/05/99/570210599.db2.gz CDIKUWULQWSYNH-UHFFFAOYSA-N 0 0 377.470 0.741 40 0 GCABRN CN(C)c1ncc(CN2CCO[C@H](C(=O)N(C)CCc3ccccn3)C2)cn1 ZINC000019747327 570213905 /nfs/dbraw/zinc/21/39/05/570213905.db2.gz WBWSCRFJJVEMFB-SFHVURJKSA-N 0 0 384.484 0.840 40 0 GCABRN CN(CCc1ccccn1)C(=O)[C@H]1CN(C(=O)c2ccc(=O)n(C)c2)CCO1 ZINC000019747369 570213958 /nfs/dbraw/zinc/21/39/58/570213958.db2.gz SYKVFCLKVSDLJV-QGZVFWFLSA-N 0 0 384.436 0.322 40 0 GCABRN Cc1cccc(CN2CC[C@]3(CC(C(=O)NCCN4CCOCC4)=NO3)C2)n1 ZINC000096225698 570220397 /nfs/dbraw/zinc/22/03/97/570220397.db2.gz BSFBHWXEHKTGSW-FQEVSTJZSA-N 0 0 387.484 0.559 40 0 GCABRN CN(C)C(=O)N1CC[C@H](c2nnc3ccc(C(=O)N4CCN(C)CC4)cn32)C1 ZINC000096267621 570227490 /nfs/dbraw/zinc/22/74/90/570227490.db2.gz UBATWIXIRSDAAI-AWEZNQCLSA-N 0 0 385.472 0.588 40 0 GCABRN CCN(CC(=O)NCCN1CCOCC1)S(=O)(=O)c1ccc(OC)c(C)c1 ZINC000019929947 570230672 /nfs/dbraw/zinc/23/06/72/570230672.db2.gz RSFBVPXJXADLEN-UHFFFAOYSA-N 0 0 399.513 0.463 40 0 GCABRN NC(=O)C[C@@]1(COc2ccc(F)cc2)CN(C(=O)Cn2cccn2)CCO1 ZINC000585282910 570250732 /nfs/dbraw/zinc/25/07/32/570250732.db2.gz JAQRUCCWCDUOQG-SFHVURJKSA-N 0 0 376.388 0.574 40 0 GCABRN CC(=O)N1CC[N@H+](CC2(O)CCN(c3ccccc3)CC2)C[C@@H](C(=O)[O-])C1 ZINC000585284453 570253248 /nfs/dbraw/zinc/25/32/48/570253248.db2.gz SJWFNXLKUWSKIY-QGZVFWFLSA-N 0 0 375.469 0.883 40 0 GCABRN CC(=O)OCC1(CC(=O)N2CCOCC2)CCN(C(=O)c2cn[nH]c2)CC1 ZINC000585294330 570263593 /nfs/dbraw/zinc/26/35/93/570263593.db2.gz YVXZJOZYLFMUGS-UHFFFAOYSA-N 0 0 378.429 0.444 40 0 GCABRN CN1CCN(N2CN(CCCN3CCOCC3)Cn3c4ccccc4nc32)CC1 ZINC000020637229 570273859 /nfs/dbraw/zinc/27/38/59/570273859.db2.gz JEHBHQBVJUXDIP-UHFFFAOYSA-N 0 0 399.543 0.958 40 0 GCABRN Nc1nc2c(ncn2[C@@H]2O[C@@H](CO)[C@@H](O)[C@H]2O)c(CC(=O)c2ccccc2)n1 ZINC000104200551 570299099 /nfs/dbraw/zinc/29/90/99/570299099.db2.gz TXHIENAAASYZJJ-CKWDLDCRSA-N 0 0 385.380 0.076 40 0 GCABRN COC(=O)C1(C(=O)OC)O[C@@H](c2ccc(OC)cc2)[C@@H]2C(=O)N(C)C(=O)[C@H]21 ZINC000104243345 570300239 /nfs/dbraw/zinc/30/02/39/570300239.db2.gz BABFQGSVMPHVNB-AGIUHOORSA-N 0 0 377.349 0.082 40 0 GCABRN COC(=O)[C@H]1[C@@H](c2ccco2)N[C@@H](c2ccco2)[C@@H](C(=O)OC)S1(=O)=O ZINC000575410843 570302554 /nfs/dbraw/zinc/30/25/54/570302554.db2.gz NEBMSDWSLGDASG-KPWCQOOUSA-N 0 0 383.378 0.756 40 0 GCABRN CC(C)CNC(=O)C(=O)NCCc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000022228101 570308099 /nfs/dbraw/zinc/30/80/99/570308099.db2.gz ZOLYVTHKEYTQKP-UHFFFAOYSA-N 0 0 397.497 0.138 40 0 GCABRN CCOc1cccc(N(CC(=O)NCCCN2CCOCC2)S(C)(=O)=O)c1 ZINC000022401872 570316437 /nfs/dbraw/zinc/31/64/37/570316437.db2.gz LEJUERXIJXAHNN-UHFFFAOYSA-N 0 0 399.513 0.690 40 0 GCABRN CC(C)(C)OC[C@H](O)CN1CCN(Cc2ccnc(N3CCOCC3)n2)CC1 ZINC000022916014 570335297 /nfs/dbraw/zinc/33/52/97/570335297.db2.gz ZISWMXHNGRUSBR-GOSISDBHSA-N 0 0 393.532 0.607 40 0 GCABRN O=C(CCCN1C(=O)c2ccccc2S1(=O)=O)NCCCN1CCOCC1 ZINC000219440084 570361486 /nfs/dbraw/zinc/36/14/86/570361486.db2.gz PRKUAOXKWNYIQD-UHFFFAOYSA-N 0 0 395.481 0.450 40 0 GCABRN COc1ccc(N([C@H](C)C(=O)NCCN2CCOCC2)S(C)(=O)=O)cc1 ZINC000408617795 570364741 /nfs/dbraw/zinc/36/47/41/570364741.db2.gz JTUZWBWCHSODPU-CQSZACIVSA-N 0 0 385.486 0.298 40 0 GCABRN CCCNS(=O)(=O)c1cc(C(=O)NCCN2CCOCC2)ccc1OC ZINC000023510942 570395219 /nfs/dbraw/zinc/39/52/19/570395219.db2.gz QIEBBGHXHDKMCB-UHFFFAOYSA-N 0 0 385.486 0.446 40 0 GCABRN CNC(=O)c1cccc(CCNC(=O)N2C[C@@H]3[C@H](OC)CS(=O)(=O)[C@@H]3C2)c1 ZINC000685938967 570398392 /nfs/dbraw/zinc/39/83/92/570398392.db2.gz CBIXMADORIKTOD-BZUAXINKSA-N 0 0 395.481 0.042 40 0 GCABRN Nc1nc2c(ncn2[C@@H]2O[C@@H](CO)[C@@H](O)[C@@H]2O)c(SCc2ccccc2)n1 ZINC000004769189 570404703 /nfs/dbraw/zinc/40/47/03/570404703.db2.gz HEWUQFYYFBVBKP-YPHNTLSLSA-N 0 0 389.437 0.312 40 0 GCABRN OC[C@@H]1O[C@H](n2cnc3c2ncnc3SCc2ccccn2)[C@H](O)[C@@H]1O ZINC000004823425 570408797 /nfs/dbraw/zinc/40/87/97/570408797.db2.gz MYLPTWRLZBDWTN-XQCUEUFKSA-N 0 0 375.410 0.125 40 0 GCABRN CC(C)C[C@H]([NH3+])C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC(C)C)C(=O)[O-] ZINC000004899772 570416288 /nfs/dbraw/zinc/41/62/88/570416288.db2.gz CSFVADKICPDRRF-KKUMJFAQSA-N 0 0 381.477 0.426 40 0 GCABRN COCCNC(=O)c1ccccc1NC(=O)[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000222604098 570416306 /nfs/dbraw/zinc/41/63/06/570416306.db2.gz NYBLHCFYKKAXTE-CYBMUJFWSA-N 0 0 383.470 0.673 40 0 GCABRN COc1ccc(CCn2c(=O)[nH]c(C(=O)[O-])c(C[NH+](C)C)c2=O)cc1OC ZINC000222655750 570419033 /nfs/dbraw/zinc/41/90/33/570419033.db2.gz KRZVAQLUGDZBSL-UHFFFAOYSA-N 0 0 377.397 0.556 40 0 GCABRN CC(=O)OC[C@H]1O[C@@H](n2cc(C(F)(F)F)c(=O)[nH]c2=O)C[C@@H]1OC(C)=O ZINC000004974691 570420698 /nfs/dbraw/zinc/42/06/98/570420698.db2.gz UNTYIYCXVYMWKI-HBNTYKKESA-N 0 0 380.275 0.338 40 0 GCABRN Cc1cc(S(=O)(=O)N(C)C)ccc1OCC(=O)NCCCN1CCOCC1 ZINC000223050977 570440338 /nfs/dbraw/zinc/44/03/38/570440338.db2.gz PNMQWXGLAPBEMW-UHFFFAOYSA-N 0 0 399.513 0.463 40 0 GCABRN Cc1cc(S(=O)(=O)NC2CC2)ccc1OCC(=O)NCCN1CCOCC1 ZINC000223058003 570440645 /nfs/dbraw/zinc/44/06/45/570440645.db2.gz MTYXJIPPPYMUQM-UHFFFAOYSA-N 0 0 397.497 0.263 40 0 GCABRN O=c1nc(NCC23CC4CC(CC(C4)C2)C3)ccn1[C@H]1O[C@@H](CO)[C@@H](O)[C@H]1O ZINC000005496572 570442597 /nfs/dbraw/zinc/44/25/97/570442597.db2.gz XFJOBTJBGUCADD-DIAJFCACSA-N 0 0 391.468 0.483 40 0 GCABRN O=c1nc(NCC23CC4CC(CC(C4)C2)C3)ccn1[C@H]1O[C@@H](CO)[C@@H](O)[C@@H]1O ZINC000005496574 570442630 /nfs/dbraw/zinc/44/26/30/570442630.db2.gz XFJOBTJBGUCADD-GAXRWOANSA-N 0 0 391.468 0.483 40 0 GCABRN COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N3CCN(C=O)CC3)C2)cc1 ZINC000026111339 570449175 /nfs/dbraw/zinc/44/91/75/570449175.db2.gz OPOZLFIPPGEHRQ-OAHLLOKOSA-N 0 0 395.481 0.397 40 0 GCABRN C[C@@H](O)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O ZINC000004762061 570497952 /nfs/dbraw/zinc/49/79/52/570497952.db2.gz UYCSCAFSVRPVEP-JLSDUUJJSA-N 0 0 399.447 0.875 40 0 GCABRN CS(=O)(=O)N1C[C@@H](C(=O)Nc2ccccc2C(N)=O)Oc2ccccc21 ZINC000030946370 570501834 /nfs/dbraw/zinc/50/18/34/570501834.db2.gz HQHSNAWSGDPXCE-HNNXBMFYSA-N 0 0 375.406 0.951 40 0 GCABRN COC(=O)[C@@H](C)N(C(=O)Cc1ccc(OC)c(OC)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000032641430 570512933 /nfs/dbraw/zinc/51/29/33/570512933.db2.gz AQHJUPSRPLUUOF-TZMCWYRMSA-N 0 0 399.465 0.824 40 0 GCABRN O=C(CO[C@H]1CCOC2(CN(S(=O)(=O)c3cccnc3)C2)C1)N1CCCC1 ZINC000575404028 570520462 /nfs/dbraw/zinc/52/04/62/570520462.db2.gz LIJYGRMBNFMTRW-HNNXBMFYSA-N 0 0 395.481 0.643 40 0 GCABRN CC(C)C[C@H](NC(=O)CNC(=O)CNC(=O)OCc1ccccc1)C(N)=O ZINC000008076038 570522159 /nfs/dbraw/zinc/52/21/59/570522159.db2.gz DLCQDKNZTBGGOD-AWEZNQCLSA-N 0 0 378.429 0.045 40 0 GCABRN CNC(=O)CSc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccc(F)cc1 ZINC000000930531 570540185 /nfs/dbraw/zinc/54/01/85/570540185.db2.gz KOFLOYDESIHRNW-UHFFFAOYSA-N 0 0 391.428 0.459 40 0 GCABRN C[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NCCCN1CCOCC1 ZINC000224999216 570542312 /nfs/dbraw/zinc/54/23/12/570542312.db2.gz SLARSWAYVMJCAN-HNNXBMFYSA-N 0 0 399.513 0.688 40 0 GCABRN NC(=O)COc1ccc(/C=c2\sc3nc(-c4ccncc4)nn3c2=O)cc1 ZINC000034967083 570548752 /nfs/dbraw/zinc/54/87/52/570548752.db2.gz NTRGASZPQWSROO-ZROIWOOFSA-N 0 0 379.401 0.625 40 0 GCABRN CC(C)N1C[C@@]23C=C[C@@H](O2)[C@H](C(=O)N2CCN(Cc4ccccn4)CC2)[C@@H]3C1=O ZINC000036748599 570563149 /nfs/dbraw/zinc/56/31/49/570563149.db2.gz MXVRPLMEAGKROJ-VQQMMKBISA-N 0 0 396.491 0.916 40 0 GCABRN CCCNS(=O)(=O)c1ccc(OCC(=O)NCCN2CCOCC2)cc1 ZINC000039985812 570595068 /nfs/dbraw/zinc/59/50/68/570595068.db2.gz NWSZVLBSQNZVTJ-UHFFFAOYSA-N 0 0 385.486 0.202 40 0 GCABRN O=C(CN1c2ccccc2S(=O)(=O)N2CCC[C@@H]2C1=O)N1CCOCC1 ZINC000012113145 570609046 /nfs/dbraw/zinc/60/90/46/570609046.db2.gz RMCOKWPHQYJYDW-CQSZACIVSA-N 0 0 379.438 0.045 40 0 GCABRN O=C(CN1c2ccccc2S(=O)(=O)N2CCC[C@H]2C1=O)N1CCOCC1 ZINC000012113144 570609214 /nfs/dbraw/zinc/60/92/14/570609214.db2.gz RMCOKWPHQYJYDW-AWEZNQCLSA-N 0 0 379.438 0.045 40 0 GCABRN CCn1c(SCC(=O)NCc2ccccc2)nc2c1c(=O)n(C)c(=O)n2C ZINC000004161068 570619376 /nfs/dbraw/zinc/61/93/76/570619376.db2.gz LSCFZECPTNMJHY-UHFFFAOYSA-N 0 0 387.465 0.862 40 0 GCABRN COCCNC(=O)CN(C(=O)c1snc(C(N)=O)c1N)c1cccc(F)c1 ZINC000004213722 570623278 /nfs/dbraw/zinc/62/32/78/570623278.db2.gz VEKQZKNOUQBUJE-UHFFFAOYSA-N 0 0 395.416 0.373 40 0 GCABRN CC(=O)N[C@H](Cc1ccccc1)C(=O)NC1CCN(C(=O)c2cnccn2)CC1 ZINC000004373750 570626270 /nfs/dbraw/zinc/62/62/70/570626270.db2.gz KWKKPWHGCJUURR-GOSISDBHSA-N 0 0 395.463 0.945 40 0 GCABRN O=c1[nH]c(N2CCOCC2)nc2c1CN(Cc1nnnn1C1CCCC1)CC2 ZINC000043277639 570626473 /nfs/dbraw/zinc/62/64/73/570626473.db2.gz PCRPXJKJCNFUHH-UHFFFAOYSA-N 0 0 386.460 0.266 40 0 GCABRN CC(C)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C)C(=O)N[C@H](C)C(N)=O ZINC000004355603 570627501 /nfs/dbraw/zinc/62/75/01/570627501.db2.gz ORPWHDPCKJWVIC-FRRDWIJNSA-N 0 0 384.477 0.517 40 0 GCABRN COCCOC(=O)C1=C(C)NC(=O)[C@@]12c1ccccc1OC(N)=C2C(=O)OC ZINC000004517070 570631807 /nfs/dbraw/zinc/63/18/07/570631807.db2.gz MXWFJMVDHJCSLN-IBGZPJMESA-N 0 0 388.376 0.254 40 0 GCABRN CN(C)S(=O)(=O)N1CCC[C@@H](C(=O)N2CCN(c3ccccc3F)CC2)C1 ZINC000044848539 570635558 /nfs/dbraw/zinc/63/55/58/570635558.db2.gz WSHVEIVSVUWULJ-OAHLLOKOSA-N 0 0 398.504 0.993 40 0 GCABRN COc1ccc([C@@H](CC(=O)NCCN2CCOCC2)NS(C)(=O)=O)cc1 ZINC000225957716 570636786 /nfs/dbraw/zinc/63/67/86/570636786.db2.gz GPXPHCZLYGRFAM-MRXNPFEDSA-N 0 0 385.486 0.124 40 0 GCABRN CS(=O)(=O)N(CC(=O)NCCCn1ccnc1)c1ccc2c(c1)OCO2 ZINC000004937941 570644801 /nfs/dbraw/zinc/64/48/01/570644801.db2.gz MJCQPWHRENYMGA-UHFFFAOYSA-N 0 0 380.426 0.584 40 0 GCABRN CS(=O)(=O)CCC(=O)N1Cc2ccnn2C[C@H](CNc2ccccn2)C1 ZINC000247498020 570715601 /nfs/dbraw/zinc/71/56/01/570715601.db2.gz DQKRFCBIXVZEEL-CQSZACIVSA-N 0 0 377.470 0.783 40 0 GCABRN C[C@@H](O)[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O ZINC000004762067 570730070 /nfs/dbraw/zinc/73/00/70/570730070.db2.gz UYCSCAFSVRPVEP-FHLIZLRMSA-N 0 0 399.447 0.875 40 0 GCABRN OC[C@@H]1O[C@H](n2cnc3c2ncnc3Nc2ccccc2Cl)[C@H](O)[C@@H]1O ZINC000005515033 570733581 /nfs/dbraw/zinc/73/35/81/570733581.db2.gz ONONMLMFXBFTIS-XQCUEUFKSA-N 0 0 377.788 0.835 40 0 GCABRN COC(=O)C1CCN(C(=O)CN(c2ccc3c(c2)OCO3)S(C)(=O)=O)CC1 ZINC000013649158 570766896 /nfs/dbraw/zinc/76/68/96/570766896.db2.gz NYGCNRNCIOFOTO-UHFFFAOYSA-N 0 0 398.437 0.593 40 0 GCABRN CCOC(=O)[C@@H]1CS[C@@H](CC(=O)Nc2ccc3c(c2)OCCO3)C(=O)N1 ZINC000009939441 570777841 /nfs/dbraw/zinc/77/78/41/570777841.db2.gz ULDZFQWNCWGFPE-FZMZJTMJSA-N 0 0 380.422 0.950 40 0 GCABRN COC(=O)C1CCN(C(=O)CN(c2ccccc2)S(=O)(=O)N(C)C)CC1 ZINC000010542109 570791432 /nfs/dbraw/zinc/79/14/32/570791432.db2.gz OPYHQVUTVFBULH-UHFFFAOYSA-N 0 0 383.470 0.711 40 0 GCABRN C[C@@H]1c2nc(C(=O)N3CCOCC3)cn2CCN1S(=O)(=O)c1cccnc1 ZINC000585096322 570923227 /nfs/dbraw/zinc/92/32/27/570923227.db2.gz IJUFSLCHDGHPOY-CYBMUJFWSA-N 0 0 391.453 0.516 40 0 GCABRN CC[C@H](NC(=O)CN1C(=O)N[C@@H]2[C@H]1N(C)C(=O)N2C)c1ccc(OC)cc1 ZINC000019500490 570926674 /nfs/dbraw/zinc/92/66/74/570926674.db2.gz DOTZIJGHDXNKEW-BPUTZDHNSA-N 0 0 375.429 0.937 40 0 GCABRN Cn1nccc1C(=O)N1CCC[C@@]2(CC(C(=O)NCc3cccnc3)=NO2)C1 ZINC000585101345 570926828 /nfs/dbraw/zinc/92/68/28/570926828.db2.gz ZOABVLRPZVMDSP-LJQANCHMSA-N 0 0 382.424 0.883 40 0 GCABRN CCn1cc(CN2C[C@H](C(=O)NC3CS(=O)(=O)C3)C3(C2)CCOCC3)cn1 ZINC000585102020 570928115 /nfs/dbraw/zinc/92/81/15/570928115.db2.gz ZDBIRLSVMUYGNC-MRXNPFEDSA-N 0 0 396.513 0.045 40 0 GCABRN CCn1cc(CN2C[C@@H](C(=O)NC3CS(=O)(=O)C3)C3(C2)CCOCC3)cn1 ZINC000585102019 570928174 /nfs/dbraw/zinc/92/81/74/570928174.db2.gz ZDBIRLSVMUYGNC-INIZCTEOSA-N 0 0 396.513 0.045 40 0 GCABRN CCN1CCN(C(=O)CN(C)S(=O)(=O)c2ccc(OC)c(OC)c2)CC1 ZINC000016681492 570930682 /nfs/dbraw/zinc/93/06/82/570930682.db2.gz ACKLTPOWRBZOEU-UHFFFAOYSA-N 0 0 385.486 0.488 40 0 GCABRN Cc1cnc(CNC(=O)[C@H]2C[C@@H]3[C@@H](CCN3C(=O)Cc3ccn(C)n3)O2)cn1 ZINC000585108538 570940125 /nfs/dbraw/zinc/94/01/25/570940125.db2.gz QOPFRYVOWBHMRV-BRWVUGGUSA-N 0 0 384.440 0.136 40 0 GCABRN Cn1cnc(C(=O)N2C[C@@H]3C[C@@H](CC(=O)NCc4cccs4)O[C@@H]3C2)n1 ZINC000585109328 570941523 /nfs/dbraw/zinc/94/15/23/570941523.db2.gz JMBVCGYCSRYGCJ-SGMGOOAPSA-N 0 0 375.454 0.813 40 0 GCABRN CN1CCN(CC(=O)NC[C@H]2OCCc3cn(Cc4ccccc4)nc32)CC1 ZINC000585111978 570942396 /nfs/dbraw/zinc/94/23/96/570942396.db2.gz JRCMYTFKVVZEAL-LJQANCHMSA-N 0 0 383.496 0.909 40 0 GCABRN O=C([C@@H]1CCS(=O)(=O)C1)N1CC[C@@H](c2nc(-c3cccnc3)cc(=O)[nH]2)C1 ZINC000019340291 570977065 /nfs/dbraw/zinc/97/70/65/570977065.db2.gz VPDCRULVHQKJAZ-ZIAGYGMSSA-N 0 0 388.449 0.583 40 0 GCABRN O=C(CCN1C(=O)N[C@@H]2NC(=O)N[C@H]21)N1CCC(Oc2ccccc2F)CC1 ZINC000019350122 570979267 /nfs/dbraw/zinc/97/92/67/570979267.db2.gz XIHKNPBTLGYGON-HOTGVXAUSA-N 0 0 391.403 0.576 40 0 GCABRN CC1(C)C(=O)NCCN1C(=O)Cn1nc2c3ccccc3nc(C3CC3)n2c1=O ZINC000019460370 570988494 /nfs/dbraw/zinc/98/84/94/570988494.db2.gz DLUYZCHNJYQZSZ-UHFFFAOYSA-N 0 0 394.435 0.659 40 0 GCABRN CC1(C)Oc2ccc(S(=O)(=O)NCCCN3CCOCC3)cc2NC1=O ZINC000019460383 570988511 /nfs/dbraw/zinc/98/85/11/570988511.db2.gz HENJGPGTEUDADC-UHFFFAOYSA-N 0 0 383.470 0.797 40 0 GCABRN Cc1nn(C)cc1CN1CCN(C(=O)C2CCN(S(C)(=O)=O)CC2)CC1 ZINC000022387923 570996179 /nfs/dbraw/zinc/99/61/79/570996179.db2.gz BTBISFCUPPWYJS-UHFFFAOYSA-N 0 0 383.518 0.044 40 0 GCABRN CNC(=O)[C@H]1CN(C(=O)CCn2c(=O)oc3cc(Cl)ccc32)CCN1C ZINC000585168391 570996344 /nfs/dbraw/zinc/99/63/44/570996344.db2.gz IHEUYRSGHKFPSV-CYBMUJFWSA-N 0 0 380.832 0.527 40 0 GCABRN O=C(NC[C@]1(O)COCCN(C(=O)c2cc3ccccc3[nH]2)C1)c1cnccn1 ZINC000585183675 571001202 /nfs/dbraw/zinc/00/12/02/571001202.db2.gz ZWNMKHYDXZOHHO-HXUWFJFHSA-N 0 0 395.419 0.591 40 0 GCABRN Cc1ccc2[nH]c(COCC(=O)N3CCC4(CC3)NC(=O)N(C)C4=O)nc2c1 ZINC000019662264 571026235 /nfs/dbraw/zinc/02/62/35/571026235.db2.gz NVUIBLZDTPDIMJ-UHFFFAOYSA-N 0 0 385.424 0.931 40 0 GCABRN CC(C)(C(=O)N1CCN(S(=O)(=O)N2CCOCC2)CC1)c1ccc(F)cc1 ZINC000019665976 571027873 /nfs/dbraw/zinc/02/78/73/571027873.db2.gz VZXPCWRKJXNHAE-UHFFFAOYSA-N 0 0 399.488 0.825 40 0 GCABRN CNc1cc(CN(C)C(C)=O)nc([C@@H]2CCCCN2S(=O)(=O)N(C)C)n1 ZINC000019709841 571034172 /nfs/dbraw/zinc/03/41/72/571034172.db2.gz ABOREIAUWGNKCH-AWEZNQCLSA-N 0 0 384.506 0.830 40 0 GCABRN O=C(NC[C@H]1O[C@@H](CO)[C@@H](O)[C@H]1N1CCOCC1)Nc1cccc(Cl)c1 ZINC000020464750 575367029 /nfs/dbraw/zinc/36/70/29/575367029.db2.gz AFRGNPHXBKTDJN-FXUDXRNXSA-N 0 0 385.848 0.283 40 0 biogenic,in-vitro GCABRN CN1CCN([C@H]2[C@@H](CNC(=O)Nc3cccc(Cl)c3)O[C@@H](CO)[C@H]2O)CC1 ZINC000020465171 575367344 /nfs/dbraw/zinc/36/73/44/575367344.db2.gz OFAPUGOYAGNORQ-LTIDMASMSA-N 0 0 398.891 0.198 40 0 biogenic,in-vitro GCABRN Cc1oncc1S(=O)(=O)N1CCN2CC(=O)Nc3ccccc3OC[C@H]2C1 ZINC001772594661 1187031103 /nfs/dbraw/zinc/03/11/03/1187031103.db2.gz GPCOIJPUZHKONP-CYBMUJFWSA-N 0 0 392.437 0.689 40 0 GCABRN CC[C@@H]1CN(C(=O)c2c(C)noc2C)[C@H](CO)[C@@H]1CN1CCS(=O)(=O)CC1 ZINC001772594885 1187042073 /nfs/dbraw/zinc/04/20/73/1187042073.db2.gz DHOFWGWUKIFAAU-BZUAXINKSA-N 0 0 399.513 0.481 40 0 GCABRN Cc1noc(C)c1CN1CCN(C(=O)[C@@H](C)n2cnc3c2ncnc3N)CC1 ZINC000666431678 1197275166 /nfs/dbraw/zinc/27/51/66/1197275166.db2.gz ZEYVUDQYZXTWLZ-GFCCVEGCSA-N 0 0 384.444 0.919 40 0 GCABRN CS(=O)(=O)NCC(=O)N1CCO[C@@H](c2c3ccccc3sc2C(N)=O)C1 ZINC000019697941 1199838151 /nfs/dbraw/zinc/83/81/51/1199838151.db2.gz RIWGMRTYGMDFPG-LLVKDONJSA-N 0 0 397.478 0.449 40 0 GCABRN CCn1ncc(CNC(=O)NC[C@@H]2CCN(S(=O)(=O)c3cccs3)C2)n1 ZINC000527926696 1201787450 /nfs/dbraw/zinc/78/74/50/1201787450.db2.gz FMMNFBAGKCFUFM-LBPRGKRZSA-N 0 0 398.514 0.870 40 0 GCABRN Cc1nonc1CC(=O)N1C[C@H](C(=O)N(C)C)[C@@]2(C1)COc1ccccc1C2=O ZINC000019559001 210263381 /nfs/dbraw/zinc/26/33/81/210263381.db2.gz ZOUBHHGECRILKW-JLTOFOAXSA-N 0 0 398.419 0.729 40 0 GCABRN CCN1C[C@H](C(=O)N2CC[C@@H](c3ncc4c(n3)CCN(C(C)=O)C4)C2)CC1=O ZINC000019526860 210255847 /nfs/dbraw/zinc/25/58/47/210255847.db2.gz IHWZIDVXLFRRMK-HUUCEWRRSA-N 0 0 385.468 0.566 40 0 GCABRN CCc1c(C)nc([C@@H]2CCCN2C(=O)C2CCN(S(C)(=O)=O)CC2)[nH]c1=O ZINC000019521564 210254924 /nfs/dbraw/zinc/25/49/24/210254924.db2.gz ZVZLVIPSJSGYCX-HNNXBMFYSA-N 0 0 396.513 0.976 40 0 GCABRN C[C@H](NC(=O)[C@H]1CCS(=O)(=O)C1)c1cc(=O)[nH]c(N2CCC(C)CC2)n1 ZINC000019496994 210253707 /nfs/dbraw/zinc/25/37/07/210253707.db2.gz KRVHYVRLFMFMQY-STQMWFEESA-N 0 0 382.486 0.618 40 0 GCABRN O=S(=O)(NCCN1CCOCC1)c1ccn(S(=O)(=O)c2ccccc2)c1 ZINC000013585835 230884212 /nfs/dbraw/zinc/88/42/12/230884212.db2.gz FAPKYDMIBRJOFA-UHFFFAOYSA-N 0 0 399.494 0.336 40 0 GCABRN CC1(C)C(=O)NCCN1C(=O)CCC(=O)Nc1ccc(Cn2cncn2)cc1 ZINC000019460350 210251228 /nfs/dbraw/zinc/25/12/28/210251228.db2.gz YKVSBWSYDUOFMA-UHFFFAOYSA-N 0 0 384.440 0.782 40 0 GCABRN Cc1cccc2c3c([nH]c21)CCN(C(=O)CCN1C(=O)N[C@@H]2NC(=O)N[C@H]21)C3 ZINC000019236559 210234320 /nfs/dbraw/zinc/23/43/20/210234320.db2.gz FHEDBOLXJUSYKU-IRXDYDNUSA-N 0 0 382.424 0.741 40 0 GCABRN CC(=O)N1CCc2nc([C@H]3CCCN3C(=O)CN3CSCC3=O)ncc2C1 ZINC000019018516 210221772 /nfs/dbraw/zinc/22/17/72/210221772.db2.gz HMXJDORILRXMFM-OAHLLOKOSA-N 0 0 389.481 0.578 40 0 GCABRN O=C(OC[C@@H](O)[C@@H](O)[C@@H](O)[C@@H](O)COC(=O)c1ccccc1)c1ccccc1 ZINC000018189969 210217028 /nfs/dbraw/zinc/21/70/28/210217028.db2.gz LDFVROHMRYBVGB-USTZCAOPSA-N 0 0 390.388 0.144 40 0 GCABRN O=S1(=O)N=C(N2CCCCC2)OS(=O)(=O)N=C(N2CCCCC2)O1 ZINC000017969217 210211023 /nfs/dbraw/zinc/21/10/23/210211023.db2.gz XRWIUZKBEAKOGP-UHFFFAOYSA-N 0 0 380.448 0.207 40 0 GCABRN COc1ccc(S(=O)(=O)N(C)CC(=O)N2CCC(C(N)=O)CC2)cc1OC ZINC000016187551 210187468 /nfs/dbraw/zinc/18/74/68/210187468.db2.gz QDQXGDMCVCNUFB-UHFFFAOYSA-N 0 0 399.469 0.048 40 0 GCABRN CN1CCN(C(=O)CCCN(c2ccc3c(c2)OCO3)S(C)(=O)=O)CC1 ZINC000113943648 530066794 /nfs/dbraw/zinc/06/67/94/530066794.db2.gz DLJKPGYJZRIXDP-UHFFFAOYSA-N 0 0 383.470 0.736 40 0 GCABRN COc1ccc(N(CC(=O)N2CCN(C=O)CC2)S(C)(=O)=O)cc1Cl ZINC000013674161 530136024 /nfs/dbraw/zinc/13/60/24/530136024.db2.gz YUQQYJRHJGZVSC-UHFFFAOYSA-N 0 0 389.861 0.415 40 0 GCABRN COc1ccccc1N1C(SCC(=O)N(C)C)=N[C@@H]2CS(=O)(=O)C[C@@H]21 ZINC000032639824 530167547 /nfs/dbraw/zinc/16/75/47/530167547.db2.gz ADXQAJNRXXOCJP-YPMHNXCESA-N 0 0 383.495 0.858 40 0 GCABRN COC(=O)CN(C(=O)COc1ccc(Cl)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000032641254 530167654 /nfs/dbraw/zinc/16/76/54/530167654.db2.gz SHAZCTLEUYCYFW-LBPRGKRZSA-N 0 0 375.830 0.908 40 0 GCABRN O=S(=O)(c1ccccc1)N1C[C@H]2NS(=O)(=O)c3cccnc3O[C@H]2C1 ZINC000514289423 530270916 /nfs/dbraw/zinc/27/09/16/530270916.db2.gz KMZXFYZCTOGIAZ-OLZOCXBDSA-N 0 0 381.435 0.194 40 0 biogenic,in-vitro GCABRN O=S(=O)(N[C@H]1CO[C@@H](CN2CCC(F)(F)C2)[C@@H]1O)c1cccc(F)c1 ZINC000514288790 530271025 /nfs/dbraw/zinc/27/10/25/530271025.db2.gz DACSIGNFKWKXGJ-MELADBBJSA-N 0 0 380.388 0.573 40 0 biogenic,in-vitro GCABRN CCCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(CNC(C)=O)cc1 ZINC000023994317 530263462 /nfs/dbraw/zinc/26/34/62/530263462.db2.gz VWWVRRAOSBGQAM-OAHLLOKOSA-N 0 0 388.511 0.911 40 0 GCABRN CCS(=O)(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)OC)cc2)CC1 ZINC000001357828 530310209 /nfs/dbraw/zinc/31/02/09/530310209.db2.gz IVNUWHDKNCFVJE-UHFFFAOYSA-N 0 0 376.456 0.129 40 0 GCABRN O=S(=O)(NCc1ccco1)c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000001362934 530310599 /nfs/dbraw/zinc/31/05/99/530310599.db2.gz UHPBUNFLOUMBKV-UHFFFAOYSA-N 0 0 386.451 0.779 40 0 GCABRN COC(=O)c1cc2cc(NS(=O)(=O)c3c[nH]c(=O)[nH]c3=O)ccc2s1 ZINC000223283935 530503407 /nfs/dbraw/zinc/50/34/07/530503407.db2.gz BJWABIHRMKRULX-UHFFFAOYSA-N 0 0 381.391 0.865 40 0 GCABRN CN(Cc1ncc(C(=O)NCCO)cn1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000223390189 530503822 /nfs/dbraw/zinc/50/38/22/530503822.db2.gz QJSUPAVZRQUDPQ-UHFFFAOYSA-N 0 0 384.845 0.673 40 0 GCABRN CNS(=O)(=O)c1ccc(CCC(=O)NCCSc2n[nH]c(C)n2)cc1 ZINC000222878202 530502768 /nfs/dbraw/zinc/50/27/68/530502768.db2.gz ZLKAWDPFTWWGTR-UHFFFAOYSA-N 0 0 383.499 0.862 40 0 GCABRN CCOC(=O)N[C@@H]1CS(=O)(=O)C[C@H]1NS(=O)(=O)c1ccc(C)cc1C ZINC000575422366 530688244 /nfs/dbraw/zinc/68/82/44/530688244.db2.gz BMSGCPKUIAWKLL-CHWSQXEVSA-N 0 0 390.483 0.493 40 0 GCABRN CCN([C@H]1CS(=O)(=O)C[C@@H]1O)S(=O)(=O)c1ccc(Br)cc1 ZINC000575423718 530688502 /nfs/dbraw/zinc/68/85/02/530688502.db2.gz QUZZKAPYKVOOAS-RYUDHWBXSA-N 0 0 398.300 0.618 40 0 GCABRN O=S1(=O)C[C@@H]2N[C@@H]3CS(=O)(=O)C[C@@H]3N(Cc3cccc(Cl)c3)[C@H]2C1 ZINC000575423135 530688749 /nfs/dbraw/zinc/68/87/49/530688749.db2.gz OKKXYBLYIOKFOT-XGUBFFRZSA-N 0 0 390.914 0.076 40 0 GCABRN Cc1cc(C)c(S(=O)(=O)N([C@@H]2CS(=O)(=O)C[C@@H]2O)N(C)C)cc1C ZINC000575422023 530688810 /nfs/dbraw/zinc/68/88/10/530688810.db2.gz LTJPJKXMZORMJI-KGLIPLIRSA-N 0 0 376.500 0.237 40 0 GCABRN O=C([O-])c1ccc(Cl)c(S(=O)(=O)NCC[NH2+][C@H]2CCS(=O)(=O)C2)c1 ZINC000575426352 530689859 /nfs/dbraw/zinc/68/98/59/530689859.db2.gz RTYZQWOMYWFHSL-JTQLQIEISA-N 0 0 396.874 0.093 40 0 GCABRN COc1ccc(NC(C)=O)cc1S(=O)(=O)N(C)[C@]1(C)CCS(=O)(=O)C1 ZINC000575426702 530690333 /nfs/dbraw/zinc/69/03/33/530690333.db2.gz YJQRHJGVGVAGRL-OAHLLOKOSA-N 0 0 390.483 0.851 40 0 GCABRN CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(OC)c(NC(C)=O)c1 ZINC000007686364 530833689 /nfs/dbraw/zinc/83/36/89/530833689.db2.gz MPAJIWKEWQMGSI-LBPRGKRZSA-N 0 0 390.483 0.851 40 0 GCABRN COc1ccc(NC(C)=O)cc1S(=O)(=O)N(C)[C@H]1CCS(=O)(=O)C1 ZINC000499082235 530941666 /nfs/dbraw/zinc/94/16/66/530941666.db2.gz BUBLNGTYKRZGMA-LBPRGKRZSA-N 0 0 376.456 0.461 40 0 GCABRN COC(=O)C1CCN(C(=O)CN(c2cccc(OC)c2)S(C)(=O)=O)CC1 ZINC000013670010 210078064 /nfs/dbraw/zinc/07/80/64/210078064.db2.gz NOEVKTGKYLWGIN-UHFFFAOYSA-N 0 0 384.454 0.873 40 0 GCABRN CCS[C@H]1O[C@@H]([C@@H](COC(C)=O)OC(C)=O)[C@@H](OC(C)=O)[C@H]1NC(C)=O ZINC000004963015 209551193 /nfs/dbraw/zinc/55/11/93/209551193.db2.gz SZULVJAZHGQZQY-RBGFHDKUSA-N 0 0 391.442 0.396 40 0 GCABRN COC(=O)NC1(NC(=O)OC)NC(=O)c2cc(OC)c(OC)c(OC)c2N1 ZINC000001607872 209333467 /nfs/dbraw/zinc/33/34/67/209333467.db2.gz LZHVHZJESCMXKN-UHFFFAOYSA-N 0 0 384.345 0.191 40 0 GCABRN O=C(CN1C(=O)S/C(=C\c2cccs2)C1=O)N1CCN(CCO)CC1 ZINC000054360912 212058257 /nfs/dbraw/zinc/05/82/57/212058257.db2.gz AEULXUYZZVFMCJ-RAXLEYEMSA-N 0 0 381.479 0.921 40 0 GCABRN O=C(C1CC1)N1CC[C@]2(Cc3nn(Cc4ccc(F)cc4)c(=O)c(=O)n3C2)C1 ZINC000306142592 212055790 /nfs/dbraw/zinc/05/57/90/212055790.db2.gz XDYOZDHXVCSMDZ-FQEVSTJZSA-N 0 0 384.411 0.777 40 0 GCABRN COc1ccc(CN2CCN(C3=NO[C@@H]4CN(S(C)(=O)=O)C[C@@H]34)CC2)cc1 ZINC000306139793 212053042 /nfs/dbraw/zinc/05/30/42/212053042.db2.gz UAUZORUDDGRWBU-IAGOWNOFSA-N 0 0 394.497 0.417 40 0 GCABRN COCCN1C[C@@]2(F)CN(Cc3ccc(S(C)(=O)=O)cc3)C[C@@]2(F)C1=O ZINC000306133395 212049693 /nfs/dbraw/zinc/04/96/93/212049693.db2.gz MKFPFHSLGMRHDK-DLBZAZTESA-N 0 0 388.436 0.811 40 0 GCABRN O=c1c(=O)n2c(nn1CC1CC1)CO[C@]1(CCN(Cc3nccs3)C1)C2 ZINC000306134240 212051381 /nfs/dbraw/zinc/05/13/81/212051381.db2.gz NGWGUTBFMSGZIL-KRWDZBQOSA-N 0 0 375.454 0.446 40 0 GCABRN Cc1nnc(N2CC3(C2)CN(CC2CC2)[C@@H](C(=O)N2CCCO2)CO3)s1 ZINC000306138519 212053916 /nfs/dbraw/zinc/05/39/16/212053916.db2.gz RZMKBFBGCYZKGX-CQSZACIVSA-N 0 0 379.486 0.680 40 0 GCABRN CC(=O)N1C[C@@H]2CN(C)C(=O)c3c(C(=O)NCc4ccccc4)ncn3[C@@H]2C1 ZINC000306128360 212047196 /nfs/dbraw/zinc/04/71/96/212047196.db2.gz GYNGQUAANFXZAB-JKSUJKDBSA-N 0 0 381.436 0.918 40 0 GCABRN COCC(=O)N1C[C@@H]2Cc3nnc(C(=O)Nc4ccc(OC)cc4)n3C[C@@H]2C1 ZINC000306128022 212047335 /nfs/dbraw/zinc/04/73/35/212047335.db2.gz GNWZFNFHXDPKEY-STQMWFEESA-N 0 0 385.424 0.816 40 0 GCABRN [NH3+][C@@H](CCC(=O)[O-])C(=O)NCC1(O)CCN(c2ccnc3ccncc32)CC1 ZINC000257330150 212025401 /nfs/dbraw/zinc/02/54/01/212025401.db2.gz XNCCMMLFXPMLGN-AWEZNQCLSA-N 0 0 387.440 0.269 40 0 GCABRN Cn1c(=O)c2ccc([C@@H]3CN(C(=O)c4cccnc4)CCO3)nc2n(C)c1=O ZINC000257318769 212024215 /nfs/dbraw/zinc/02/42/15/212024215.db2.gz VPGJXQCATSXNBA-HNNXBMFYSA-N 0 0 381.392 0.241 40 0 GCABRN O=C(CN1CCOCC1)N1CCC2(CC1)C[C@@H](O)[C@H](c1ccccc1)NC2=O ZINC000257323633 212024012 /nfs/dbraw/zinc/02/40/12/212024012.db2.gz WLFCJBOGUXSBMT-MJGOQNOKSA-N 0 0 387.480 0.550 40 0 GCABRN CN(C)S(=O)(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 ZINC000035686175 203787485 /nfs/dbraw/zinc/78/74/85/203787485.db2.gz RZSXKLHXOPUBOM-UHFFFAOYSA-N 0 0 383.879 0.579 40 0 GCABRN Cn1c(=O)c2ccccc2c(=O)n1CCCn1c(=O)c2ccccc2c(=O)n1C ZINC000001020739 203874404 /nfs/dbraw/zinc/87/44/04/203874404.db2.gz QYNPMNNVJDROHS-UHFFFAOYSA-N 0 0 392.415 0.804 40 0 GCABRN COC(=O)[C@@H](NC(=O)[C@@H](CO)N1C(=O)c2ccccc2C1=O)c1ccccc1 ZINC000001590918 203914506 /nfs/dbraw/zinc/91/45/06/203914506.db2.gz BMAULSIJZXQEMX-CVEARBPZSA-N 0 0 382.372 0.674 40 0 GCABRN O=S(=O)(CCN1CCCCC1)CCS(=O)(=O)CCN1CCCCC1 ZINC000004428719 204045086 /nfs/dbraw/zinc/04/50/86/204045086.db2.gz RVRMYCMUVKWTKZ-UHFFFAOYSA-N 0 0 380.576 0.788 40 0 GCABRN CC[C@@H](C)[C@@H](NC(=O)[C@@H](C)NC(=O)CNC(=O)OCc1ccccc1)C(N)=O ZINC000004574707 204054709 /nfs/dbraw/zinc/05/47/09/204054709.db2.gz ZJNITTSQIVIBPV-XJKCOSOUSA-N 0 0 392.456 0.434 40 0 GCABRN CC(=O)OC[C@H]1O[C@@H](n2cc(C(F)(F)F)c(=O)[nH]c2=O)C[C@H]1OC(C)=O ZINC000004974689 204098681 /nfs/dbraw/zinc/09/86/81/204098681.db2.gz UNTYIYCXVYMWKI-GMTAPVOTSA-N 0 0 380.275 0.338 40 0 GCABRN COC(=O)c1nnn(C2=CCC(C(=O)OC)=C(C(=O)OC)C2)c1C(=O)OC ZINC000005760232 204149974 /nfs/dbraw/zinc/14/99/74/204149974.db2.gz MPZIYZLCXUXYDO-UHFFFAOYSA-N 0 0 379.325 0.129 40 0 GCABRN C[C@@H](O)CNC(=O)CSc1nc2ccccc2n1CC(=O)NC[C@@H](C)O ZINC000005387146 204129358 /nfs/dbraw/zinc/12/93/58/204129358.db2.gz RRKZMYXJSCTDTM-VXGBXAGGSA-N 0 0 380.470 0.122 40 0 GCABRN COc1ccc(S(=O)(=O)N[C@@]2(C)CCS(=O)(=O)C2)cc1NC(C)=O ZINC000007686214 204246344 /nfs/dbraw/zinc/24/63/44/204246344.db2.gz YAHRTTPSGYGJEN-AWEZNQCLSA-N 0 0 376.456 0.509 40 0 GCABRN COC(=O)CCC(=O)Nc1ccccc1S(=O)(=O)N1CCC[C@H]1C(=O)OC ZINC000008306781 204270566 /nfs/dbraw/zinc/27/05/66/204270566.db2.gz OKEPPROSEPUPLY-ZDUSSCGKSA-N 0 0 398.437 0.904 40 0 GCABRN COc1ccc(-c2cc3nc(CCNC(=O)[C@H]4CC(=O)N(C)C4)nn3cn2)cc1 ZINC000012326194 204397027 /nfs/dbraw/zinc/39/70/27/204397027.db2.gz XZOJXHVEWMLVMR-AWEZNQCLSA-N 0 0 394.435 0.937 40 0 GCABRN CC(C)c1cc(C(=O)N2CCOC[C@](O)(CNC(=O)c3ccccn3)C2)[nH]n1 ZINC000257282835 212016798 /nfs/dbraw/zinc/01/67/98/212016798.db2.gz OVMPCRWKNIZSRI-IBGZPJMESA-N 0 0 387.440 0.562 40 0 GCABRN Cc1cn([C@@H]2CN(C(=O)CCc3nc4ccccc4[nH]3)C[C@H]2O)c(=O)[nH]c1=O ZINC000257227046 212007909 /nfs/dbraw/zinc/00/79/09/212007909.db2.gz FNJWPMLXUDJZPZ-HUUCEWRRSA-N 0 0 383.408 0.511 40 0 GCABRN CCc1nc2ccccc2n1CC(=O)N(C)[C@@H]1CC[C@@H](N2CCNC(=O)C2)[C@@H]1O ZINC000257241205 212009641 /nfs/dbraw/zinc/00/96/41/212009641.db2.gz HXCJMEQNKHRXDV-CBGDNZLLSA-N 0 0 399.495 0.381 40 0 GCABRN CNc1ncnc2c1ncn2[C@@H]1CC[C@@H](NC(=O)c2cncc(C)c2)[C@H](O)[C@H]1O ZINC000257222440 212005271 /nfs/dbraw/zinc/00/52/71/212005271.db2.gz DTHOIVXSVHLOFH-VDERGJSUSA-N 0 0 397.439 0.427 40 0 GCABRN Cc1nc(C)c(CC(=O)N2CCC([C@@H]3NC(=O)N[C@H]4OCC[C@H]43)CC2)c(=O)[nH]1 ZINC000257207214 212003440 /nfs/dbraw/zinc/00/34/40/212003440.db2.gz BGVATHRBBOILCI-OWQGQXMQSA-N 0 0 389.456 0.624 40 0 GCABRN CN(C)c1ncnc2c1ncn2[C@@H]1CC[C@@H](NC(=O)c2ccccn2)[C@H](O)[C@H]1O ZINC000257201346 212002112 /nfs/dbraw/zinc/00/21/12/212002112.db2.gz AHHLODKVRYVCFR-OYNZBZHQSA-N 0 0 397.439 0.143 40 0 GCABRN CNc1cc(C(=O)NCCc2nc(C)ncc2C(=O)N2CCOCC2)ccn1 ZINC000019697452 204670945 /nfs/dbraw/zinc/67/09/45/204670945.db2.gz RAFLSDPAGAWUAL-UHFFFAOYSA-N 0 0 384.440 0.667 40 0 GCABRN CCn1cc(S(=O)(=O)N2CCN(CC(=O)NC3CCCCC3)CC2)c(C)n1 ZINC000036006492 205001740 /nfs/dbraw/zinc/00/17/40/205001740.db2.gz GOJHKTMJKLJMBO-UHFFFAOYSA-N 0 0 397.545 0.967 40 0 GCABRN COC(=O)c1cc(NC(=O)C[C@@H]2Cn3ncnc3NC2=O)cc(C(=O)OC)c1 ZINC000040386608 205062430 /nfs/dbraw/zinc/06/24/30/205062430.db2.gz GZBAIHOXULATOW-LLVKDONJSA-N 0 0 387.352 0.448 40 0 GCABRN C[C@@H](C(=O)N1CCNC(=O)C1)N1CC[C@@]2(CC(=O)c3ccccc3O2)CCC1=O ZINC000072327649 205326346 /nfs/dbraw/zinc/32/63/46/205326346.db2.gz SDWQXDXLYUVAHD-LHSJRXKWSA-N 0 0 399.447 0.750 40 0 GCABRN Cc1nc2cc(-c3nccn3C)nn2c(NC[C@H](O)CN2CCOCC2)c1C ZINC000072338521 205327374 /nfs/dbraw/zinc/32/73/74/205327374.db2.gz ZXNGZUFMIGZPRW-HNNXBMFYSA-N 0 0 385.472 0.852 40 0 GCABRN C[C@H]1CCCC[C@H]1NC(=O)Cn1c2ccccc2n2c1nn(CC(N)=O)c2=O ZINC000072347016 205329686 /nfs/dbraw/zinc/32/96/86/205329686.db2.gz ZATVNBZASWPHGI-QWHCGFSZSA-N 0 0 384.440 0.631 40 0 GCABRN COc1ccc(C(=O)NCCSc2nc[nH]n2)cc1S(=O)(=O)N(C)C ZINC000222909938 211816130 /nfs/dbraw/zinc/81/61/30/211816130.db2.gz VBZQNGOYPMWHFD-UHFFFAOYSA-N 0 0 385.471 0.586 40 0 GCABRN CN(C)Cc1cc([C@@H]2CCCN(C(=O)COCCN3CCCC3=O)C2)nn1C ZINC000072370171 205336050 /nfs/dbraw/zinc/33/60/50/205336050.db2.gz AHYRDHJVVPECTF-MRXNPFEDSA-N 0 0 391.516 0.827 40 0 GCABRN Cc1nc(CN2CC[C@]3(CC(C(=O)NCCN4CCOCC4)=NO3)C2)cs1 ZINC000096225692 205545501 /nfs/dbraw/zinc/54/55/01/205545501.db2.gz YPLSTQWMXPXZAZ-SFHVURJKSA-N 0 0 393.513 0.621 40 0 GCABRN COc1ccc(C[C@@H]2NC(=O)[C@H]3CN(C(=O)c4cccn4C)CCN3C2=O)cc1 ZINC000004270964 205744279 /nfs/dbraw/zinc/74/42/79/205744279.db2.gz RNVOWTQOJBMLEL-FUHWJXTLSA-N 0 0 396.447 0.428 40 0 biogenic,in-vitro GCABRN COc1cccc(NC(=O)N[C@@H]2[C@H]3CO[C@H](O3)[C@H](N3CCOCC3)[C@H]2O)c1 ZINC000012484160 205876792 /nfs/dbraw/zinc/87/67/92/205876792.db2.gz LQHVMXIJNIGVNM-OVYGPGRDSA-N 0 0 379.413 0.002 40 0 biogenic,in-vitro GCABRN Cc1ccc(CN2C(=O)[C@@H]3C[C@@H](O)CN3C3(CN(Cc4ccoc4)C3)C2=O)o1 ZINC000225397721 206046242 /nfs/dbraw/zinc/04/62/42/206046242.db2.gz KJYVEAMDTBFFAE-WBVHZDCISA-N 0 0 385.420 0.740 40 0 biogenic,in-vitro GCABRN O=C(NC1CCCC1)N[C@@H]1C[C@H](Cn2cc(-c3cccnc3)nn2)[C@@H](O)[C@H]1O ZINC000225504107 206052890 /nfs/dbraw/zinc/05/28/90/206052890.db2.gz DPTRJZRIVQSRAK-UWIFEVILSA-N 0 0 386.456 0.692 40 0 biogenic,in-vitro GCABRN CCN(CC(=O)NCCSc1nc[nH]n1)S(=O)(=O)c1ccc(F)cc1 ZINC000226056242 206089649 /nfs/dbraw/zinc/08/96/49/206089649.db2.gz QNBONBZEPIUGSK-UHFFFAOYSA-N 0 0 387.462 0.863 40 0 GCABRN Cc1nc(SCCNC(=O)c2sc(N(C)S(C)(=O)=O)nc2C)n[nH]1 ZINC000225879453 206082320 /nfs/dbraw/zinc/08/23/20/206082320.db2.gz VSSDATJSCGCXAW-UHFFFAOYSA-N 0 0 390.516 0.796 40 0 GCABRN CC(=O)c1c(C)cc2cccc(O)c2c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000031155594 206084320 /nfs/dbraw/zinc/08/43/20/206084320.db2.gz DNABNTQMDXKPON-ZIIYPAMZSA-N 0 0 378.377 0.235 40 0 biogenic,in-vitro GCABRN COc1cccc(CC(=O)N2Cc3ccnn3[C@H](CNS(C)(=O)=O)C2)c1 ZINC000247531113 206133915 /nfs/dbraw/zinc/13/39/15/206133915.db2.gz OSXSODWJGJNNPE-OAHLLOKOSA-N 0 0 378.454 0.567 40 0 GCABRN CS(=O)(=O)NC[C@@H]1Cn2nccc2CN(Cc2ccc3c(c2)OCO3)C1 ZINC000247540042 206133979 /nfs/dbraw/zinc/13/39/79/206133979.db2.gz RZBXGYZDCJDYNT-AWEZNQCLSA-N 0 0 378.454 0.793 40 0 GCABRN CS(=O)(=O)NC[C@H]1CN(C(=O)c2ccc3c(c2)OCO3)Cc2ccnn21 ZINC000247493911 206134205 /nfs/dbraw/zinc/13/42/05/206134205.db2.gz CLSCXRGSASTXTN-ZDUSSCGKSA-N 0 0 378.410 0.358 40 0 GCABRN Cc1ccccc1OCC(=O)N1Cc2cncn2[C@H](CNS(C)(=O)=O)C1 ZINC000247999180 206134698 /nfs/dbraw/zinc/13/46/98/206134698.db2.gz CJVMGSUITKFJCT-OAHLLOKOSA-N 0 0 378.454 0.703 40 0 GCABRN Cn1ccc(C(=O)N2CC3(C2)[C@@H](COc2ccccn2)CCS3(=O)=O)n1 ZINC000248115481 206135928 /nfs/dbraw/zinc/13/59/28/206135928.db2.gz ILSQIRUPVAFKOO-CYBMUJFWSA-N 0 0 376.438 0.523 40 0 GCABRN CN1CC2(CN(CCOCc3ccccc3)C2)OC[C@H]1C(=O)N1CCCO1 ZINC000247961395 206136012 /nfs/dbraw/zinc/13/60/12/206136012.db2.gz FHLVAKVPHAHXAO-SFHVURJKSA-N 0 0 375.469 0.752 40 0 GCABRN CN(C)c1ncnc2c1ncn2[C@@H]1CC[C@@H](NC(=O)c2cccnc2)[C@H](O)[C@H]1O ZINC000257209671 206159822 /nfs/dbraw/zinc/15/98/22/206159822.db2.gz BRKALCNCJVPBPN-VDERGJSUSA-N 0 0 397.439 0.143 40 0 GCABRN CN1CCN(C(=O)c2c[nH]c(=O)[nH]2)C[C@H]1C(=O)NCc1ccc2c(c1)CCCO2 ZINC000257209798 206160027 /nfs/dbraw/zinc/16/00/27/206160027.db2.gz BRXSAGOTXHTPLS-INIZCTEOSA-N 0 0 399.451 0.513 40 0 GCABRN CNC(=O)[C@H]1CN(C(=O)Cn2c(COC)nc3ccccc32)CCN1C(C)C ZINC000257214600 206161417 /nfs/dbraw/zinc/16/14/17/206161417.db2.gz CMPIJHWOGLNLQA-QGZVFWFLSA-N 0 0 387.484 0.850 40 0 GCABRN CCn1c(C)nc2cc(C(=O)N(C)[C@@H]3CC[C@@H](N4CCNC(=O)C4)[C@@H]3O)ccc21 ZINC000257287655 206173445 /nfs/dbraw/zinc/17/34/45/206173445.db2.gz PQYXKSMKAFOHQT-QWFCFKBJSA-N 0 0 399.495 0.760 40 0 GCABRN Cn1c(=O)c2ccc([C@@H]3CN(C(=O)c4ccc(F)cc4)CCO3)nc2n(C)c1=O ZINC000257286653 206173977 /nfs/dbraw/zinc/17/39/77/206173977.db2.gz PMKWWYUZCNKNQC-INIZCTEOSA-N 0 0 398.394 0.985 40 0 GCABRN C[C@H]1O[C@@H](c2cccc(F)c2)C[C@@](O)(CNC(=O)CN2CCOCC2)[C@@H]1O ZINC000257298202 206174969 /nfs/dbraw/zinc/17/49/69/206174969.db2.gz RKPTZVFDIDOVOH-ZQNRLITLSA-N 0 0 382.432 0.216 40 0 GCABRN Cc1ccccc1OCCNC(=O)[C@H]1CN(C(=O)c2cncnc2N)CCN1C ZINC000257233875 206164499 /nfs/dbraw/zinc/16/44/99/206164499.db2.gz GRDIMPYRAAIXLJ-MRXNPFEDSA-N 0 0 398.467 0.319 40 0 GCABRN CNC(=O)[C@@H]1CN(C(=O)CCn2nc(C)nc2C)CCN1Cc1ccccc1 ZINC000257249117 206165798 /nfs/dbraw/zinc/16/57/98/206165798.db2.gz JGWNXEWODMLGFL-SFHVURJKSA-N 0 0 384.484 0.744 40 0 GCABRN CN(C)C(=O)N1CCC2(CC1)CN(C(=O)c1ccnn1C)Cc1cn(C)nc12 ZINC000306141492 206207768 /nfs/dbraw/zinc/20/77/68/206207768.db2.gz VXYOCUINZGDRHS-UHFFFAOYSA-N 0 0 385.472 0.825 40 0 GCABRN CCS(=O)(=O)N1C[C@H]2Cn3c(nnc3C(=O)NCc3ccccc3)C[C@@H]2C1 ZINC000306123656 206196709 /nfs/dbraw/zinc/19/67/09/206196709.db2.gz ATFZHZGFBXHLDE-CABCVRRESA-N 0 0 389.481 0.662 40 0 GCABRN CN(C)S(=O)(=O)N1C[C@H]2Cn3c(nnc3C(=O)Nc3ccccc3)C[C@@H]2C1 ZINC000306132219 206200565 /nfs/dbraw/zinc/20/05/65/206200565.db2.gz LCBIMAAHMQZLOH-OLZOCXBDSA-N 0 0 390.469 0.441 40 0 GCABRN CN(C)C(=O)N1CC[C@@]2(C1)CN(C)C[C@@H](C(=O)N(C)Cc1ccccn1)O2 ZINC000306131584 206201982 /nfs/dbraw/zinc/20/19/82/206201982.db2.gz KJEXRCYFKJTYGC-LPHOPBHVSA-N 0 0 375.473 0.497 40 0 GCABRN CCn1cc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3ccn(C)n3)C2)c(C)n1 ZINC000002809244 206212317 /nfs/dbraw/zinc/21/23/17/206212317.db2.gz NYGFONFKNGDVNG-CYBMUJFWSA-N 0 0 380.474 0.984 40 0 GCABRN O=C(NCCO)[C@@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1 ZINC000009974139 211631897 /nfs/dbraw/zinc/63/18/97/211631897.db2.gz AJUGKJVZPWPOAY-LLVKDONJSA-N 0 0 391.287 0.958 40 0 GCABRN COC(=O)[C@H]1CN(C(=O)c2cccnc2)CCN1S(=O)(=O)c1ccccc1 ZINC000004270839 211541232 /nfs/dbraw/zinc/54/12/32/211541232.db2.gz CYCCUXIJRPDNRC-MRXNPFEDSA-N 0 0 389.433 0.770 40 0 biogenic,in-vitro GCABRN C[C@H](C(=O)N1CCOCCOCCOCC1)N1C(=O)c2ccccc2C1=O ZINC000000859406 211492696 /nfs/dbraw/zinc/49/26/96/211492696.db2.gz GNWGBUBTLJDCHE-CQSZACIVSA-N 0 0 376.409 0.563 40 0 GCABRN CNC(=O)c1cc2c(nc1NCC(C)C)CCN(S(=O)(=O)N(C)C)CC2 ZINC000096260499 211327390 /nfs/dbraw/zinc/32/73/90/211327390.db2.gz VNNJJZCPWHBYGX-UHFFFAOYSA-N 0 0 383.518 0.716 40 0 GCABRN CCN1CC[C@@]2(CN(C(=O)N(C)C)CC23CCN(S(C)(=O)=O)CC3)C1=O ZINC000096262697 211327314 /nfs/dbraw/zinc/32/73/14/211327314.db2.gz IVKUIOXYHBIADX-QGZVFWFLSA-N 0 0 386.518 0.264 40 0 GCABRN O=C(NCC1CC1)[C@H]1Cn2ccnc2C2(CCN(C(=O)[C@@H]3CCOC3)CC2)O1 ZINC000096243629 211325240 /nfs/dbraw/zinc/32/52/40/211325240.db2.gz BYKCFCQIORGIMW-HZPDHXFCSA-N 0 0 388.468 0.662 40 0 GCABRN CCCC(=O)N1CCC2(CC1)O[C@@H](C(=O)N1CCN(C)CC1)Cn1ccnc12 ZINC000096243751 211325315 /nfs/dbraw/zinc/32/53/15/211325315.db2.gz GRSWEPWJCZUORR-MRXNPFEDSA-N 0 0 389.500 0.674 40 0 GCABRN CNC(=O)[C@@]12CCC3(CCN(C(=O)c4cnccn4)CC3)[C@@H]1CN(C(C)=O)C2 ZINC000096036270 211295333 /nfs/dbraw/zinc/29/53/33/211295333.db2.gz CQSGUDDTXMLTMT-OXJNMPFZSA-N 0 0 385.468 0.704 40 0 GCABRN O=C(c1cc[nH]n1)N1CC[C@@H]2CN(Cc3cccnc3)S(=O)(=O)[C@@H]2CC1 ZINC000096145470 211308111 /nfs/dbraw/zinc/30/81/11/211308111.db2.gz VAVGEWNSFMOSKH-GDBMZVCRSA-N 0 0 375.454 0.871 40 0 GCABRN COc1ccc(CC(=O)N2CCN(C(=O)N(C)C)C[C@]3(CNC(=O)C3)C2)cc1 ZINC000096143340 211307619 /nfs/dbraw/zinc/30/76/19/211307619.db2.gz VHYWBRSIVTXUCU-HXUWFJFHSA-N 0 0 388.468 0.570 40 0 GCABRN O=C(NCCn1nnn(-c2cccs2)c1=O)c1n[nH]c(=O)c2ccccc21 ZINC000072341038 211093440 /nfs/dbraw/zinc/09/34/40/211093440.db2.gz ZFFKITAWKAVRJY-UHFFFAOYSA-N 0 0 383.393 0.157 40 0 GCABRN Cc1nn(C)cc1[C@H]1C[C@H](C(=O)Nc2cc(C)ccc2O)N(C)S(=O)(=O)N1 ZINC000072335114 211092953 /nfs/dbraw/zinc/09/29/53/211092953.db2.gz NYYBSFKMQZQVKS-UKRRQHHQSA-N 0 0 393.469 0.961 40 0 GCABRN Cc1cc(C(=O)N2CCC[C@H](Cn3cc(C(=O)N4CCOCC4)nn3)C2)on1 ZINC000072324256 211090612 /nfs/dbraw/zinc/09/06/12/211090612.db2.gz CLKNXSIULHUWAX-AWEZNQCLSA-N 0 0 388.428 0.599 40 0 GCABRN COc1ccc(OC)c(NC(=O)C(=O)NCc2ccc(S(N)(=O)=O)cc2)c1 ZINC000038719055 532968312 /nfs/dbraw/zinc/96/83/12/532968312.db2.gz WNGDTPZRJNTJPB-UHFFFAOYSA-N 0 0 393.421 0.606 40 0 GCABRN COc1ccc(S(=O)(=O)N2CCC(C(=O)NCCO)CC2)cc1Cl ZINC000409357471 533044022 /nfs/dbraw/zinc/04/40/22/533044022.db2.gz JJHJVPARKGBYHJ-UHFFFAOYSA-N 0 0 376.862 0.858 40 0 GCABRN CCN(CC)S(=O)(=O)c1ccc(CCNC(=O)C(=O)NCCOC)cc1 ZINC000022228204 210407078 /nfs/dbraw/zinc/40/70/78/210407078.db2.gz NVGLXXMEYBLQJE-UHFFFAOYSA-N 0 0 385.486 0.138 40 0 GCABRN Nc1nc(N2CCOCC2)nc2c1[C@H](C(=O)NCCc1ccccc1)CC(=O)N2 ZINC000020635716 210354150 /nfs/dbraw/zinc/35/41/50/210354150.db2.gz VXRPDWJUZVWCTN-CQSZACIVSA-N 0 0 396.451 0.680 40 0 GCABRN CCS(=O)(=O)N1c2ccc(C(=O)NCCN3CCOCC3)cc2C[C@@H]1C ZINC000020449284 210336670 /nfs/dbraw/zinc/33/66/70/210336670.db2.gz RNPLBKHGFNGKIG-AWEZNQCLSA-N 0 0 381.498 0.849 40 0 GCABRN CN(C)S(=O)(=O)N(C)c1ccc(C(=O)NCCCN2CCOCC2)cc1 ZINC000020245896 210323951 /nfs/dbraw/zinc/32/39/51/210323951.db2.gz MXVHZDWGDNJJQP-UHFFFAOYSA-N 0 0 384.502 0.381 40 0 GCABRN Cn1c2ccc(CCC(=O)N3CCC4(CC3)NC(=O)N(C)C4=O)cc2n(C)c1=O ZINC000019714271 210286444 /nfs/dbraw/zinc/28/64/44/210286444.db2.gz XLLIRHUEHYLGCQ-UHFFFAOYSA-N 0 0 399.451 0.352 40 0 GCABRN Cc1ccc(=O)n(CC(=O)N2CC(C(=O)N3CCN(c4ccccc4)CC3)C2)n1 ZINC000019748698 210293584 /nfs/dbraw/zinc/29/35/84/210293584.db2.gz YARVPVFVIPKRHP-UHFFFAOYSA-N 0 0 395.463 0.359 40 0 GCABRN O=C(Cn1cccn1)N[C@@H]1CCc2ccc(S(=O)(=O)N3CCOCC3)cc21 ZINC000019749505 210292908 /nfs/dbraw/zinc/29/29/08/210292908.db2.gz XAXDEMCJOIEZFP-QGZVFWFLSA-N 0 0 390.465 0.708 40 0 GCABRN COCC(=O)N[C@@H]1Cc2ccc(S(=O)(=O)NCCn3ccc(C)n3)cc2C1 ZINC000019749634 210292537 /nfs/dbraw/zinc/29/25/37/210292537.db2.gz IGNQOTJIVTYROV-MRXNPFEDSA-N 0 0 392.481 0.400 40 0 GCABRN C[C@@H](c1cc(=O)[nH]c(NCCN2CCOCC2)n1)n1ncc2ccccc2c1=O ZINC000019717937 210289318 /nfs/dbraw/zinc/28/93/18/210289318.db2.gz XBOMODJTGNSHIN-AWEZNQCLSA-N 0 0 396.451 0.833 40 0 GCABRN Cc1ccc([C@@]2(O)CCN(C(=O)CNC(=O)c3nc4ncccn4n3)C2)cc1 ZINC000019718955 210289331 /nfs/dbraw/zinc/28/93/31/210289331.db2.gz JXEIBSIVGWDGSE-LJQANCHMSA-N 0 0 380.408 0.283 40 0 GCABRN COc1ccccc1Cc1nnc(NC(=O)CCN2C(=O)COCC2=O)s1 ZINC000019658211 210277871 /nfs/dbraw/zinc/27/78/71/210277871.db2.gz VPCHZKQHUGWSGM-UHFFFAOYSA-N 0 0 390.421 0.852 40 0 GCABRN CC1(C)C(=O)NC(=S)N2C(=O)C[C@@H](C(=O)Nc3ccc4c(c3)OCO4)N21 ZINC000010153625 221098417 /nfs/dbraw/zinc/09/84/17/221098417.db2.gz NWARYRFUPJWTNB-VIFPVBQESA-N 0 0 376.394 0.776 40 0 GCABRN CS(=O)(=O)c1cnc2ncnn2c1[C@@H]1CCCN(C(=O)c2ccncc2)C1 ZINC000012118911 221153255 /nfs/dbraw/zinc/15/32/55/221153255.db2.gz PKPCKLPKBRFAIO-CYBMUJFWSA-N 0 0 386.437 0.943 40 0 GCABRN COc1ccc2c(c1)O[C@]1(C[C@H]3CC[C@@H]1C[C@@H]3C(=O)N1CCNC(=O)C1)NC2=O ZINC000012185369 221163762 /nfs/dbraw/zinc/16/37/62/221163762.db2.gz UGEIRJRXKBCALD-ZCGOYUJASA-N 0 0 399.447 0.908 40 0 GCABRN O=C(CCc1nc2ccccc2[nH]1)N1CCN(S(=O)(=O)N2CCCC2)CC1 ZINC000019717789 221447456 /nfs/dbraw/zinc/44/74/56/221447456.db2.gz JWGTUGGCMTVYHC-UHFFFAOYSA-N 0 0 391.497 0.980 40 0 GCABRN COc1ccc(C)cc1S(=O)(=O)N[C@H](C)C(=O)NCCN1CCOCC1 ZINC000408588718 533405863 /nfs/dbraw/zinc/40/58/63/533405863.db2.gz DROZNYXENSABFO-CQSZACIVSA-N 0 0 385.486 0.119 40 0 GCABRN Cc1nc(C2CCN(C(=O)Cn3cncn3)CC2)nc(N2CCOCC2)c1C ZINC000072337203 136168422 /nfs/dbraw/zinc/16/84/22/136168422.db2.gz JPVYRJZUKIUOJA-UHFFFAOYSA-N 0 0 385.472 0.928 40 0 GCABRN O=C(C1=Cc2ccccc2OC1)N1CCc2c(nc(N3CCOCC3)[nH]c2=O)C1 ZINC000072346913 136168703 /nfs/dbraw/zinc/16/87/03/136168703.db2.gz DSPCLZKAODSLHD-UHFFFAOYSA-N 0 0 394.431 0.967 40 0 GCABRN CCS(=O)(=O)N1CC[C@@]2(C1)COCc1c(C)nc(N3CCOCC3)nc12 ZINC000096244616 136185702 /nfs/dbraw/zinc/18/57/02/136185702.db2.gz UNTQGHKVZNWFBJ-QGZVFWFLSA-N 0 0 382.486 0.445 40 0 GCABRN COCCC(=O)N1CC[C@]2(C1)COCc1c(C)nc(N3CCOCC3)nc12 ZINC000096244613 136185779 /nfs/dbraw/zinc/18/57/79/136185779.db2.gz XJKAVNAWYBOVHY-IBGZPJMESA-N 0 0 376.457 0.658 40 0 GCABRN CC(C)NS(=O)(=O)c1ccc(OCC(=O)NCCSc2nc[nH]n2)cc1 ZINC000222631467 519733093 /nfs/dbraw/zinc/73/30/93/519733093.db2.gz MNQFIHRPODQEKX-UHFFFAOYSA-N 0 0 399.498 0.779 40 0 GCABRN Cc1cccc(C)c1N(CC(=O)NCCCN1CCOCC1)S(C)(=O)=O ZINC000408628342 534673051 /nfs/dbraw/zinc/67/30/51/534673051.db2.gz XDMVYNSCRCNFFB-UHFFFAOYSA-N 0 0 383.514 0.908 40 0 GCABRN Cc1ncc(C(=O)N2CCOCC2)c([C@@H]2CCCCN2S(=O)(=O)N(C)C)n1 ZINC000019766998 527228690 /nfs/dbraw/zinc/22/86/90/527228690.db2.gz CNPLNFATLFCMSY-HNNXBMFYSA-N 0 0 397.501 0.591 40 0 GCABRN CC(C)NS(=O)(=O)c1ccc(OCC(=O)NCCN2CCOCC2)cc1 ZINC000408597459 527756911 /nfs/dbraw/zinc/75/69/11/527756911.db2.gz WMMTXTOTBFQNNM-UHFFFAOYSA-N 0 0 385.486 0.201 40 0 GCABRN CCCCNS(=O)(=O)c1ccc(OCC(=O)NCCN2CCOCC2)cc1 ZINC000408591031 528554618 /nfs/dbraw/zinc/55/46/18/528554618.db2.gz IMZJKTVJYPNLBO-UHFFFAOYSA-N 0 0 399.513 0.592 40 0 GCABRN Cc1ccc(CN2C(=O)[C@@H]3C[C@@H](O)CN3C3(CN(Cc4ccncc4)C3)C2=O)o1 ZINC000225398229 560043615 /nfs/dbraw/zinc/04/36/15/560043615.db2.gz VQTZBPQYCNTXGR-AEFFLSMTSA-N 0 0 396.447 0.542 40 0 biogenic,in-vitro GCABRN COc1ccc(CN2C(=O)[C@@H]3C[C@@H](O)CN3C3(CN(CC4CC4)C3)C2=O)cc1 ZINC000225384177 560043966 /nfs/dbraw/zinc/04/39/66/560043966.db2.gz MTPMLMIGNMQZIL-AEFFLSMTSA-N 0 0 385.464 0.464 40 0 biogenic,in-vitro GCABRN CS(=O)(=O)c1ccc(OC[C@@]2(CNC(=O)C3CC3)C[C@@H](O)[C@@H](O)C2)cc1 ZINC000107430432 560044948 /nfs/dbraw/zinc/04/49/48/560044948.db2.gz RRRDBVHZFZMPQL-VQFNDLOPSA-N 0 0 383.466 0.497 40 0 biogenic,in-vitro GCABRN COCC(=O)NC[C@H]1OC[C@@H](N(Cc2ccncc2)Cc2ccncc2)[C@@H]1O ZINC000077263730 560046395 /nfs/dbraw/zinc/04/63/95/560046395.db2.gz BOQLJRBZUMPWED-GGPKGHCWSA-N 0 0 386.452 0.370 40 0 biogenic,in-vitro GCABRN CC(C)(C)CC(=O)NC[C@H]1OC[C@@H](N(Cc2c[nH]cn2)Cc2c[nH]cn2)[C@@H]1O ZINC000077263710 560046596 /nfs/dbraw/zinc/04/65/96/560046596.db2.gz MXNBULIPGVBDMX-NUJGCVRESA-N 0 0 390.488 0.816 40 0 biogenic,in-vitro GCABRN CN(Cc1ccccc1)C(=O)C[C@@H]1O[C@H](CNC(=O)c2ccco2)[C@@H](O)[C@H]1O ZINC000008643448 560210679 /nfs/dbraw/zinc/21/06/79/560210679.db2.gz SLEVMFNUULSCAO-OGWHTMIXSA-N 0 0 388.420 0.547 40 0 biogenic,in-vitro GCABRN Cc1cc(C(=O)N2CCC3(CC2)NC(=O)N(C)C3=O)nc(N2CCCCC2)n1 ZINC000019718716 570209840 /nfs/dbraw/zinc/20/98/40/570209840.db2.gz BSBXMFOCVVNWFW-UHFFFAOYSA-N 0 0 386.456 0.932 40 0 GCABRN CCN1C[C@@]23CN(C(=O)Cc4cccc(OC)c4)C[C@@H](C[C@@H]2S1(=O)=O)O3 ZINC000096146041 570213875 /nfs/dbraw/zinc/21/38/75/570213875.db2.gz RDZQVDAGZVRULT-RYRKJORJSA-N 0 0 380.466 0.642 40 0 GCABRN O=C(NCCN1CCOCC1)C1=NO[C@@]2(CCN(Cc3ccc(F)cc3)C2)C1 ZINC000096225694 570220584 /nfs/dbraw/zinc/22/05/84/570220584.db2.gz AEVZPVOBIWUDMG-FQEVSTJZSA-N 0 0 390.459 0.995 40 0 GCABRN CCNC(=O)[C@H]1CC(=O)Nc2nc(N3CCC(C(=O)OCC)CC3)[nH]c(=O)c21 ZINC000019821419 570222697 /nfs/dbraw/zinc/22/26/97/570222697.db2.gz SNEMOLSEIKUAJX-NSHDSACASA-N 0 0 391.428 0.111 40 0 GCABRN COCCN(C)C(=O)c1ccc2nnc([C@@H]3CCN(S(C)(=O)=O)C3)n2c1 ZINC000096267662 570227626 /nfs/dbraw/zinc/22/76/26/570227626.db2.gz GIGBPLDDHADMBM-GFCCVEGCSA-N 0 0 381.458 0.197 40 0 GCABRN CN(C)C(=O)N1CC[C@@H](c2nnc3ccc(C(=O)N4CCN(C)CC4)cn32)C1 ZINC000096267620 570227791 /nfs/dbraw/zinc/22/77/91/570227791.db2.gz UBATWIXIRSDAAI-CQSZACIVSA-N 0 0 385.472 0.588 40 0 GCABRN NC(=O)C[C@@]1(COc2ccc(F)cc2)CN(C(=O)c2cccnc2N)CCO1 ZINC000585282963 570250832 /nfs/dbraw/zinc/25/08/32/570250832.db2.gz KTPXTRNHOHBLLO-IBGZPJMESA-N 0 0 388.399 0.969 40 0 GCABRN NC(=O)C[C@]1(COc2ccc(F)cc2)CN(C(=O)Cn2cccn2)CCO1 ZINC000585282908 570250885 /nfs/dbraw/zinc/25/08/85/570250885.db2.gz JAQRUCCWCDUOQG-GOSISDBHSA-N 0 0 376.388 0.574 40 0 GCABRN [NH3+][C@@H](CCC(=O)[O-])C(=O)N1CCC[C@]2(C[C@@H](O)[C@H](c3ccccc3)NC2=O)C1 ZINC000585285360 570254574 /nfs/dbraw/zinc/25/45/74/570254574.db2.gz OSJWHNIRZLTCPV-MQJTVSLUSA-N 0 0 389.452 0.409 40 0 GCABRN Cn1nccc1/C=C/C(=O)N1C[C@H](O)[C@H](O)C[C@@]2(C)[C@H]1CCCC(=O)N2C ZINC000585289981 570257591 /nfs/dbraw/zinc/25/75/91/570257591.db2.gz PERFQTRFHICHPF-IPPHNGGJSA-N 0 0 376.457 0.157 40 0 GCABRN COCCN1C(=O)CCC[C@H]2CN(C(=O)/C=C/CN3CCOCC3)CC[C@H]21 ZINC000585291149 570259755 /nfs/dbraw/zinc/25/97/55/570259755.db2.gz LGGKYHHPDNFGQG-KCILRPRFSA-N 0 0 379.501 0.751 40 0 GCABRN Cc1nnsc1CN(C)C[C@]1(O)CN(S(=O)(=O)c2ccccc2)C[C@H]1O ZINC000585291856 570260864 /nfs/dbraw/zinc/26/08/64/570260864.db2.gz UKUUXADVZXZQKM-CVEARBPZSA-N 0 0 398.510 0.075 40 0 GCABRN Cn1c(=O)cc(NC(=O)CN2CCC(Oc3ccc(F)cc3)CC2)n(C)c1=O ZINC000100787030 570278068 /nfs/dbraw/zinc/27/80/68/570278068.db2.gz CWIGBAKVYNLOEB-UHFFFAOYSA-N 0 0 390.415 0.705 40 0 GCABRN Nc1nc2c(ncn2[C@H]2O[C@@H](CO)[C@@H](O)[C@H]2O)c(CC(=O)c2ccccc2)n1 ZINC000104200547 570299163 /nfs/dbraw/zinc/29/91/63/570299163.db2.gz TXHIENAAASYZJJ-AGBFSGEVSA-N 0 0 385.380 0.076 40 0 GCABRN CC[C@H](C)NC(=O)C(=O)NCCc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000022229503 570308128 /nfs/dbraw/zinc/30/81/28/570308128.db2.gz CDBOEKXNMGXODQ-AWEZNQCLSA-N 0 0 397.497 0.281 40 0 GCABRN CC[C@@H](C)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H](CC(N)=O)N[C@@]21c2cc(F)ccc2NC1=O ZINC000016021898 570308404 /nfs/dbraw/zinc/30/84/04/570308404.db2.gz UFCUFNYWCRERRM-MDFYPZETSA-N 0 0 388.399 0.220 40 0 GCABRN CN(C)CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cccc2cccnc21 ZINC000575426202 570310829 /nfs/dbraw/zinc/31/08/29/570310829.db2.gz OJIIXTJJDHAIAE-OAHLLOKOSA-N 0 0 397.522 0.974 40 0 GCABRN CCN(c1cc(OC)c(OC)cc1C(=O)N1CCN(C)CC1)S(C)(=O)=O ZINC000022252151 570310864 /nfs/dbraw/zinc/31/08/64/570310864.db2.gz FBEJMGKFRYBTIU-UHFFFAOYSA-N 0 0 385.486 0.877 40 0 GCABRN Cc1cc(=O)oc2cc(O[C@]3(C)O[C@@H](CO)[C@](C)(O)[C@@](C)(O)[C@]3(C)O)ccc12 ZINC000043509391 570319837 /nfs/dbraw/zinc/31/98/37/570319837.db2.gz VERJTZMTVXTWPT-MVBLQPKNSA-N 0 0 394.420 0.841 40 0 GCABRN CC(C)NC(=O)NC[C@H]1O[C@@H]2C[C@@H](CC(=O)NCc3cccnc3)O[C@@H]2[C@@H]1O ZINC000604381988 570353109 /nfs/dbraw/zinc/35/31/09/570353109.db2.gz XWYAHQBCPREIHI-GRLWTPEZSA-N 0 0 392.456 0.081 40 0 biogenic,in-vitro GCABRN CCOC(=O)N1CCN(C(=O)CCc2ccc(S(=O)(=O)NC)cc2)CC1 ZINC000057567205 570362169 /nfs/dbraw/zinc/36/21/69/570362169.db2.gz WEKHCECWLCTXQB-UHFFFAOYSA-N 0 0 383.470 0.828 40 0 GCABRN CC[C@@H](C)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H](CC(N)=O)N[C@]21c2cc(F)ccc2NC1=O ZINC000035374907 570363397 /nfs/dbraw/zinc/36/33/97/570363397.db2.gz UFCUFNYWCRERRM-WCCRFQNCSA-N 0 0 388.399 0.220 40 0 GCABRN CCc1nc2ccccc2c2nn(CC(=O)N3CCNC(=O)C3(C)C)c(=O)n21 ZINC000057731024 570371686 /nfs/dbraw/zinc/37/16/86/570371686.db2.gz KOSAPFCKYIAVFW-UHFFFAOYSA-N 0 0 382.424 0.344 40 0 GCABRN CCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CCC(C(N)=O)CC2)cc1 ZINC000408625585 570377054 /nfs/dbraw/zinc/37/70/54/570377054.db2.gz SXQQIUODPKIUJW-LBPRGKRZSA-N 0 0 383.470 0.476 40 0 GCABRN COc1ccc(C)cc1N([C@@H](C)C(=O)NCCN1CCOCC1)S(C)(=O)=O ZINC000220340848 570385163 /nfs/dbraw/zinc/38/51/63/570385163.db2.gz LZEDVVFOLGKDPM-HNNXBMFYSA-N 0 0 399.513 0.607 40 0 GCABRN CCCNS(=O)(=O)c1ccc(OCC(=O)NCCSc2nc[nH]n2)cc1 ZINC000222665585 570419665 /nfs/dbraw/zinc/41/96/65/570419665.db2.gz OCYRHEDMDUSDGX-UHFFFAOYSA-N 0 0 399.498 0.780 40 0 GCABRN COC(=O)C1CCN(C(=O)CN(Cc2ccccc2F)S(C)(=O)=O)CC1 ZINC000222801107 570426370 /nfs/dbraw/zinc/42/63/70/570426370.db2.gz SNSDXQKRORXHEL-UHFFFAOYSA-N 0 0 386.445 0.999 40 0 GCABRN C[C@@H](O)[C@H]1C(=O)N2C(C(=O)OC[C@H]3OC(=O)O[C@H]3C)=C([C@H]3CCCO3)S[C@H]12 ZINC000026892069 570429645 /nfs/dbraw/zinc/42/96/45/570429645.db2.gz MVHHCXACTDXCAC-JNCZRXCNSA-N 0 0 399.421 0.756 40 0 GCABRN CC(=O)OC[C@@H]1O[C@@H]2O[C@](C)(OC(C)C)O[C@@H]2[C@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000005440056 570439896 /nfs/dbraw/zinc/43/98/96/570439896.db2.gz JCJBPCYHIVDESZ-XXJXLTMMSA-N 0 0 390.385 0.652 40 0 GCABRN CNC(=O)/C=C/c1ccc(S(=O)(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1 ZINC000223291345 570456131 /nfs/dbraw/zinc/45/61/31/570456131.db2.gz UTJGMOPGHPDNHQ-NYYWCZLTSA-N 0 0 395.462 0.894 40 0 GCABRN COc1ccc(N(CCCC(=O)N2CCC(C(N)=O)CC2)S(C)(=O)=O)cc1 ZINC000224268475 570506683 /nfs/dbraw/zinc/50/66/83/570506683.db2.gz JRTHSIYWCNUSMV-UHFFFAOYSA-N 0 0 397.497 0.965 40 0 GCABRN C[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NCCCN1CCOCC1 ZINC000224999176 570542147 /nfs/dbraw/zinc/54/21/47/570542147.db2.gz SLARSWAYVMJCAN-OAHLLOKOSA-N 0 0 399.513 0.688 40 0 GCABRN COC(=O)[C@@H]1[C@H](c2ccccc2)[C@H](C(=O)OC)[C@@](C)(O)C[C@]12NNC(=S)N2 ZINC000035323717 570551607 /nfs/dbraw/zinc/55/16/07/570551607.db2.gz JAOODCGAHPLYJW-DTKOIPMJSA-N 0 0 393.465 0.182 40 0 GCABRN Cn1c(SCC(=O)Nc2ccccc2F)nc2c1c(=O)n(C)c(=O)n2C ZINC000001222728 570564568 /nfs/dbraw/zinc/56/45/68/570564568.db2.gz LBQAAXVNGVNJQV-UHFFFAOYSA-N 0 0 377.401 0.841 40 0 GCABRN CC(C)CNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(-n3cnnn3)cc2)C1 ZINC000001363810 570577582 /nfs/dbraw/zinc/57/75/82/570577582.db2.gz VUYYIVRINKTMEC-CQSZACIVSA-N 0 0 392.485 0.835 40 0 GCABRN O=C(NC1CC1)[C@@H]1CCCN(S(=O)(=O)c2ccc(-n3cnnn3)cc2)C1 ZINC000001363952 570577614 /nfs/dbraw/zinc/57/76/14/570577614.db2.gz SQXRRWYTLGTING-GFCCVEGCSA-N 0 0 376.442 0.342 40 0 GCABRN O=C(Nc1ccccc1F)[C@H]1CC(=O)Nc2nc(N3CCOCC3)[nH]c(=O)c21 ZINC000038828128 570583619 /nfs/dbraw/zinc/58/36/19/570583619.db2.gz YXCXSQYJJINGCG-JTQLQIEISA-N 0 0 387.371 0.810 40 0 GCABRN Cc1nn(C)cc1[C@@H]1C[C@@H](C(=O)Nc2cccc(O)c2)N(C)S(=O)(=O)N1 ZINC000012131166 570613475 /nfs/dbraw/zinc/61/34/75/570613475.db2.gz WVZPWIGGXDHXIR-GJZGRUSLSA-N 0 0 379.442 0.652 40 0 GCABRN COCCNC(=O)c1cn(C[C@@H]2CCCN(C(=O)c3cnc(C)cn3)C2)nn1 ZINC000012141947 570614904 /nfs/dbraw/zinc/61/49/04/570614904.db2.gz KKSSBHJAFWBUTM-CQSZACIVSA-N 0 0 387.444 0.305 40 0 GCABRN CCn1c(SCC(=O)N2CCCCCC2)nc2c1c(=O)n(C)c(=O)n2C ZINC000004161096 570619769 /nfs/dbraw/zinc/61/97/69/570619769.db2.gz FNJNXGZXWOCOEK-UHFFFAOYSA-N 0 0 379.486 0.948 40 0 GCABRN CCn1c(SCC(=O)N2CCCC[C@@H]2C)nc2c1c(=O)n(C)c(=O)n2C ZINC000004161086 570619910 /nfs/dbraw/zinc/61/99/10/570619910.db2.gz LMRRVJKYHCDKNH-NSHDSACASA-N 0 0 379.486 0.947 40 0 GCABRN CC[C@H]1CCCCN1C(=O)CSc1nc2c(c(=O)n(C)c(=O)n2C)n1C ZINC000004162148 570620653 /nfs/dbraw/zinc/62/06/53/570620653.db2.gz FDHVGWGGWJJVAM-NSHDSACASA-N 0 0 379.486 0.854 40 0 GCABRN CN(C)S(=O)(=O)N1CCC[C@H](C(=O)N2CCN(c3ccc(F)cc3)CC2)C1 ZINC000044847258 570635161 /nfs/dbraw/zinc/63/51/61/570635161.db2.gz YVGQEHQNEGCVMA-HNNXBMFYSA-N 0 0 398.504 0.993 40 0 GCABRN COCCNC(=O)C1CCN(S(=O)(=O)c2ccc(OC)c(OC)c2)CC1 ZINC000004898440 570637557 /nfs/dbraw/zinc/63/75/57/570637557.db2.gz YCALEEWLOOJEGH-UHFFFAOYSA-N 0 0 386.470 0.867 40 0 GCABRN Cn1c2c(nc(Cl)n2CC(=O)N(CCO)c2ccccc2)c(=O)n(C)c1=O ZINC000059639040 570657400 /nfs/dbraw/zinc/65/74/00/570657400.db2.gz XCDYANKRXMLEIR-UHFFFAOYSA-N 0 0 391.815 0.113 40 0 GCABRN CCOC(=O)C1=C(COC(=O)[C@H]2CS[C@@]3(C)CCC(=O)N23)NC(=O)N[C@H]1C ZINC000006886639 570675724 /nfs/dbraw/zinc/67/57/24/570675724.db2.gz ZHZZSPRGEDCAEZ-JHXNIKBNSA-N 0 0 397.453 0.502 40 0 GCABRN CS(=O)(=O)CCC(=O)N1Cc2ccnn2C[C@@H](CNc2ccccn2)C1 ZINC000247498017 570715575 /nfs/dbraw/zinc/71/55/75/570715575.db2.gz DQKRFCBIXVZEEL-AWEZNQCLSA-N 0 0 377.470 0.783 40 0 GCABRN CS(=O)(=O)N1CCC[C@H](C(=O)NCc2cccc(CN3CCOCC3)c2)C1 ZINC000108642431 570767626 /nfs/dbraw/zinc/76/76/26/570767626.db2.gz VGZZOARNYCYMPZ-SFHVURJKSA-N 0 0 395.525 0.807 40 0 GCABRN CS(=O)(=O)N(CC(=O)N1CCN(C=O)CC1)c1cccc(C(F)(F)F)c1 ZINC000013667860 570769432 /nfs/dbraw/zinc/76/94/32/570769432.db2.gz QQJGPRKSQOVYFI-UHFFFAOYSA-N 0 0 393.387 0.772 40 0 GCABRN CO[C@H]1CC[C@H](NS(=O)(=O)c2ccc3c(c2)c(=O)n(C)c(=O)n3C)CC1 ZINC000257336287 570909207 /nfs/dbraw/zinc/90/92/07/570909207.db2.gz YNTXOQBPAQGRPF-HAQNSBGRSA-N 0 0 381.454 0.473 40 0 GCABRN O=C(C[C@@H]1CN(S(=O)(=O)c2cccnc2)Cc2ccnn21)N1CCCCO1 ZINC000585095713 570922236 /nfs/dbraw/zinc/92/22/36/570922236.db2.gz FFOBDUYDBWGCQN-OAHLLOKOSA-N 0 0 391.453 0.968 40 0 GCABRN C[C@H]1c2nc(C(=O)N3CCOCC3)cn2CCN1S(=O)(=O)c1cccnc1 ZINC000585096323 570923201 /nfs/dbraw/zinc/92/32/01/570923201.db2.gz IJUFSLCHDGHPOY-ZDUSSCGKSA-N 0 0 391.453 0.516 40 0 GCABRN C[C@H]1c2nc(CC(=O)N3CC=CC3)cn2CCN1S(=O)(=O)c1cccnc1 ZINC000585097033 570923661 /nfs/dbraw/zinc/92/36/61/570923661.db2.gz FATVVPHDMMVBSO-AWEZNQCLSA-N 0 0 387.465 0.985 40 0 GCABRN COC[C@H]1CCC2(CCN(C(=O)Cc3ccn(C)n3)CC2)N1S(C)(=O)=O ZINC000585104015 570929691 /nfs/dbraw/zinc/92/96/91/570929691.db2.gz YCWODKAMSRCTHQ-OAHLLOKOSA-N 0 0 384.502 0.394 40 0 GCABRN COCCN1C[C@@]2(CC1=O)COCCN(Cc1ccc(S(C)(=O)=O)cc1)C2 ZINC000585105020 570934255 /nfs/dbraw/zinc/93/42/55/570934255.db2.gz YTXVUJSLKQIPNW-IBGZPJMESA-N 0 0 396.509 0.787 40 0 GCABRN O=C(NC1CCC1)c1nnc2n1CCN1CCN(C(=O)c3ccnc(F)c3)C[C@@H]21 ZINC000585109934 570938709 /nfs/dbraw/zinc/93/87/09/570938709.db2.gz PHQBTHDWPIDLCU-AWEZNQCLSA-N 0 0 399.430 0.607 40 0 GCABRN Cc1snnc1C(=O)N1CC[C@H]2O[C@@H](C(=O)NCc3cnc(C)cn3)C[C@H]21 ZINC000585108579 570940232 /nfs/dbraw/zinc/94/02/32/570940232.db2.gz VZVATADXDSSOMU-MGPQQGTHSA-N 0 0 388.453 0.633 40 0 GCABRN CCOC(=O)c1ccc(NC(=O)[C@H]2CC(=O)NC(N3CCN(C)CC3)=N2)cc1 ZINC000020059531 570940486 /nfs/dbraw/zinc/94/04/86/570940486.db2.gz YLRRDBXXYBRWHW-OAHLLOKOSA-N 0 0 387.440 0.294 40 0 GCABRN Cc1noc(CC(=O)N2CC[C@H]3O[C@H](C(=O)NCc4ccccn4)CC[C@H]32)n1 ZINC000585108687 570940665 /nfs/dbraw/zinc/94/06/65/570940665.db2.gz ZQOPLNGQMIXBGA-OAGGEKHMSA-N 0 0 385.424 0.780 40 0 GCABRN CCCS(=O)(=O)N1Cc2ccnn2[C@H](CCNC(=O)c2cnccn2)C1 ZINC000585112381 570942836 /nfs/dbraw/zinc/94/28/36/570942836.db2.gz OMKLCQYXRCLXCE-CYBMUJFWSA-N 0 0 378.458 0.590 40 0 GCABRN CC(=O)N1CCCC[C@@H]1c1ncc2c(n1)CCN(C(=O)[C@@H]1CC(=O)N(C)C1)C2 ZINC000019017288 570954485 /nfs/dbraw/zinc/95/44/85/570954485.db2.gz XTCSJJIFTXWVDF-RHSMWYFYSA-N 0 0 385.468 0.913 40 0 GCABRN COc1ccc(-n2ncc(C(=O)[C@H]3CCN(C(=O)CNC(C)=O)C3)c2N)cc1 ZINC000019021249 570955180 /nfs/dbraw/zinc/95/51/80/570955180.db2.gz FGSRGJUBAQEWCK-ZDUSSCGKSA-N 0 0 385.424 0.630 40 0 GCABRN Cc1cc2ccccc2n2c(=O)n(C[C@@H](C)NC(=O)CN3C(=O)CCC3=O)nc12 ZINC000019126926 570957806 /nfs/dbraw/zinc/95/78/06/570957806.db2.gz OTRVYBBGGJMXNV-CYBMUJFWSA-N 0 0 395.419 0.611 40 0 GCABRN CCC(=O)N1CCC[C@@H]1c1nc2c(c(=O)[nH]1)CCN(S(=O)(=O)N(C)C)C2 ZINC000019498785 570991797 /nfs/dbraw/zinc/99/17/97/570991797.db2.gz KRVOOYDQMNMLMY-CYBMUJFWSA-N 0 0 383.474 0.008 40 0 GCABRN CCCC(=O)N1CC[C@@H](c2nc3c(c(=O)[nH]2)CN(S(=O)(=O)CC)CC3)C1 ZINC000019501126 570992654 /nfs/dbraw/zinc/99/26/54/570992654.db2.gz ODERPRAWBSGBJP-GFCCVEGCSA-N 0 0 382.486 0.594 40 0 GCABRN CCc1cc(CNC(=O)[C@H]2CCCN(S(=O)(=O)c3cn(C)nc3C)C2)on1 ZINC000019522792 570995429 /nfs/dbraw/zinc/99/54/29/570995429.db2.gz NAMADSLYDQXLMI-ZDUSSCGKSA-N 0 0 395.485 0.996 40 0 GCABRN CCn1ncc(C2=NS(=O)(=O)N(C)C(C(=O)NCc3ccco3)=C2)c1C ZINC000019523902 570995837 /nfs/dbraw/zinc/99/58/37/570995837.db2.gz ATNCEASYDPWNIS-UHFFFAOYSA-N 0 0 377.426 0.984 40 0 GCABRN CCn1cc(CN2CCN(S(=O)(=O)c3ccc4[nH]c(=O)oc4c3)CC2)cn1 ZINC000019524983 570996934 /nfs/dbraw/zinc/99/69/34/570996934.db2.gz HKYITNKZGXOIPD-UHFFFAOYSA-N 0 0 391.453 0.844 40 0 GCABRN COc1cnc(C2(O)CCN(C(=O)c3c(C)cc(C)[nH]c3=O)CC2)c(OC)n1 ZINC000019566630 571008095 /nfs/dbraw/zinc/00/80/95/571008095.db2.gz AOWMTSYTOJBSAN-UHFFFAOYSA-N 0 0 388.424 0.923 40 0 GCABRN COCCOC(=O)CN1CCC(O)(Cn2cnc3ccccc3c2=O)CC1 ZINC000019593611 571019824 /nfs/dbraw/zinc/01/98/24/571019824.db2.gz OTZRYIYTLJEPFM-UHFFFAOYSA-N 0 0 375.425 0.413 40 0 GCABRN COc1ccc(S(=O)(=O)N2CCN(C(=O)CCN3CCOCC3)CC2)cc1 ZINC000019655161 571023284 /nfs/dbraw/zinc/02/32/84/571023284.db2.gz UMDRKKOEIRLQDR-UHFFFAOYSA-N 0 0 397.497 0.250 40 0 GCABRN CN(CC(=O)Nc1ccc(N2CCCC2)c2nonc21)[C@H]1CCS(=O)(=O)C1 ZINC000019655212 571023346 /nfs/dbraw/zinc/02/33/46/571023346.db2.gz VOJOVWJADIFNST-LBPRGKRZSA-N 0 0 393.469 0.880 40 0 GCABRN O=C(CNC1=NS(=O)(=O)c2ccccc21)NCc1nnc2n1CCCCC2 ZINC000019659442 571024832 /nfs/dbraw/zinc/02/48/32/571024832.db2.gz JIYSFIUQRRAGOD-UHFFFAOYSA-N 0 0 388.453 0.359 40 0 GCABRN O=C(CCN1C(=O)CCNC1=O)Nc1ccc(N2CCCS2(=O)=O)cc1 ZINC000019660842 571025738 /nfs/dbraw/zinc/02/57/38/571025738.db2.gz QXUYODVMADGUEF-UHFFFAOYSA-N 0 0 380.426 0.497 40 0 GCABRN CNC(=O)[C@@]12CCC3(CCN(C(=O)c4ccnnc4)CC3)[C@@H]1CN(C(C)=O)C2 ZINC000096036271 571096116 /nfs/dbraw/zinc/09/61/16/571096116.db2.gz RDIXAUXUJVXDOG-OXJNMPFZSA-N 0 0 385.468 0.704 40 0 GCABRN CC(=O)N1C[C@H]2C3(CC[C@@]2(C(=O)N2CCCC2)C1)CCN(S(C)(=O)=O)CC3 ZINC000096036279 571096191 /nfs/dbraw/zinc/09/61/91/571096191.db2.gz UDEJTXUABIYTTB-QFBILLFUSA-N 0 0 397.541 0.909 40 0 GCABRN CCN1CC[C@]2(CN(c3ncccn3)CC23CCN(S(C)(=O)=O)CC3)C1=O ZINC000096036446 571096424 /nfs/dbraw/zinc/09/64/24/571096424.db2.gz POIBRQNTVIFHLS-SFHVURJKSA-N 0 0 393.513 0.577 40 0 GCABRN CCN1CC[C@@]2(CN(C(=O)N(C)C)CC23CCN(C(=O)N(C)C)CC3)C1=O ZINC000096036617 571096612 /nfs/dbraw/zinc/09/66/12/571096612.db2.gz NJGGUSVHZDPXPZ-LJQANCHMSA-N 0 0 379.505 0.986 40 0 GCABRN CC[C@@H]1CN(C(=O)Cc2ccccc2)[C@H](CO)[C@@H]1CN1CCS(=O)(=O)CC1 ZINC001772595011 1187045399 /nfs/dbraw/zinc/04/53/99/1187045399.db2.gz OZTOFIUUGVIHRN-GUDVDZBRSA-N 0 0 394.537 0.805 40 0 GCABRN COCCN1C(=O)[C@H]2CN(Cc3cnc4ccccn34)CCN2C12CCOCC2 ZINC001772595193 1187052118 /nfs/dbraw/zinc/05/21/18/1187052118.db2.gz BCMQWADDQOEYCH-GOSISDBHSA-N 0 0 399.495 0.816 40 0 GCABRN COCCN1C(=O)[C@H]2CN(Cc3cccc(OC)n3)CCN2C12CCOCC2 ZINC001772595464 1187054468 /nfs/dbraw/zinc/05/44/68/1187054468.db2.gz ZMIKFKFGIPUNBV-QGZVFWFLSA-N 0 0 390.484 0.572 40 0 GCABRN COCCN1C(=O)[C@H]2CN(C(=O)c3cc(C)on3)CCN2C12CCOCC2 ZINC001772595458 1187054547 /nfs/dbraw/zinc/05/45/47/1187054547.db2.gz YUTUXIZFVLIEHN-OAHLLOKOSA-N 0 0 378.429 0.105 40 0 GCABRN CS(=O)(=O)N1CCC2(CC1)CC(=O)N(Cc1ccncc1)c1ccnn12 ZINC001772596490 1187058763 /nfs/dbraw/zinc/05/87/63/1187058763.db2.gz MDCNXMSLFOIZAH-UHFFFAOYSA-N 0 0 375.454 0.966 40 0 GCABRN NC(=O)C[C@@]1(COc2ccc(F)cc2)CN(C(=O)c2ccc(N)nc2)CCO1 ZINC000585282966 1189785313 /nfs/dbraw/zinc/78/53/13/1189785313.db2.gz KWDHMXQYZRYYHL-IBGZPJMESA-N 0 0 388.399 0.969 40 0 GCABRN Cc1noc(C)c1CN1CCN(C(=O)[C@H](C)n2cnc3c2ncnc3N)CC1 ZINC000666431679 1197275021 /nfs/dbraw/zinc/27/50/21/1197275021.db2.gz ZEYVUDQYZXTWLZ-LBPRGKRZSA-N 0 0 384.444 0.919 40 0 GCABRN CC(=O)N[C@@H]1[C@@H](Oc2ccc3ccccc3c2)O[C@@H](CO)[C@@H](O)[C@@H]1OC(C)=O ZINC000062725335 1199158153 /nfs/dbraw/zinc/15/81/53/1199158153.db2.gz FRTSLPFLUVGQPA-OMZCGLGVSA-N 0 0 389.404 0.733 40 0 GCABRN CC(=O)N[C@H]1[C@@H](Oc2ccc3ccccc3c2)O[C@@H](CO)[C@@H](O)[C@@H]1OC(C)=O ZINC000062725333 1199158347 /nfs/dbraw/zinc/15/83/47/1199158347.db2.gz FRTSLPFLUVGQPA-UTBUEMAESA-N 0 0 389.404 0.733 40 0 GCABRN CC(=O)N[C@@H]1[C@@H](Oc2cccc3ccccc32)O[C@@H](CO)[C@@H](O)[C@@H]1OC(C)=O ZINC000062725327 1199158376 /nfs/dbraw/zinc/15/83/76/1199158376.db2.gz BLLDREJCXJOWEZ-OMZCGLGVSA-N 0 0 389.404 0.733 40 0 GCABRN CCN1C[C@H](C(=O)N2CCC[C@H]2c2ncc3c(n2)CCN(C(C)=O)C3)CC1=O ZINC000019526922 210256301 /nfs/dbraw/zinc/25/63/01/210256301.db2.gz LCMRPHCCNOZERN-PBHICJAKSA-N 0 0 385.468 0.913 40 0 GCABRN OC[C@@H]1O[C@@H](n2cnc3c2ncnc3Nc2ccccc2Cl)[C@H](O)[C@@H]1O ZINC000005515036 230842092 /nfs/dbraw/zinc/84/20/92/230842092.db2.gz ONONMLMFXBFTIS-MZXFEWSRSA-N 0 0 377.788 0.835 40 0 GCABRN CCS(=O)(=O)N(CC(=O)NC[C@H]1CCCO1)c1ccc2c(c1)OCCO2 ZINC000014399285 230888856 /nfs/dbraw/zinc/88/88/56/230888856.db2.gz OEDYSZMIHHBNGS-CQSZACIVSA-N 0 0 384.454 0.909 40 0 GCABRN O=C([C@H]1CCS(=O)(=O)C1)N1CCC[C@H]1c1nc(-c2ccccn2)cc(=O)[nH]1 ZINC000019402451 210249212 /nfs/dbraw/zinc/24/92/12/210249212.db2.gz XKZYIVYZQNBVPK-WFASDCNBSA-N 0 0 388.449 0.930 40 0 GCABRN C[C@@H](O)CNC(=O)[C@H]1CC(=O)N(c2ccc(OCC(=O)N3CCCC3)cc2)C1 ZINC000408614338 231080629 /nfs/dbraw/zinc/08/06/29/231080629.db2.gz BBZGUXGBHPUJPB-CABCVRRESA-N 0 0 389.452 0.538 40 0 GCABRN CC(C)NC(=O)[C@H]1CN(C(=O)C2CC2)C[C@@H]1c1ccnc(N2CCOCC2)n1 ZINC000019450138 210247680 /nfs/dbraw/zinc/24/76/80/210247680.db2.gz XLVYEEJPJQAUNH-HOTGVXAUSA-N 0 0 387.484 0.790 40 0 GCABRN COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NCCCN2CCOCC2)cc1C ZINC000408592335 231071004 /nfs/dbraw/zinc/07/10/04/231071004.db2.gz LDNDVYFIACUJFD-HNNXBMFYSA-N 0 0 399.513 0.509 40 0 GCABRN O=C(NCc1cc(=O)[nH]c(N2CCOCC2)n1)[C@@H]1CC(=O)Nc2ccccc21 ZINC000019374887 210246255 /nfs/dbraw/zinc/24/62/55/210246255.db2.gz NHRDLBIWTUZREB-CQSZACIVSA-N 0 0 383.408 0.349 40 0 GCABRN CCc1nnc(SCC(=O)N[C@H](Cc2ccc(O)cc2)C(=O)OC)n1N ZINC000409001377 231146087 /nfs/dbraw/zinc/14/60/87/231146087.db2.gz IBTSCCLPCBWGMQ-GFCCVEGCSA-N 0 0 379.442 0.253 40 0 GCABRN O=C([C@H]1CCS(=O)(=O)C1)N1CC[C@H](c2nc(-c3cccnc3)cc(=O)[nH]2)C1 ZINC000019340304 210242063 /nfs/dbraw/zinc/24/20/63/210242063.db2.gz VPDCRULVHQKJAZ-KBPBESRZSA-N 0 0 388.449 0.583 40 0 GCABRN O=C1CCC[C@]2(CN(S(=O)(=O)N3CCOCC3)C[C@H]2c2cccnc2)N1 ZINC000019339992 210241432 /nfs/dbraw/zinc/24/14/32/210241432.db2.gz UETKGMUCQNHDEQ-DOTOQJQBSA-N 0 0 380.470 0.097 40 0 GCABRN COCCNC(=O)CN1CC[C@@]2(CCC1=O)NC(=O)c1cc(C)ccc1O2 ZINC000019218831 210231403 /nfs/dbraw/zinc/23/14/03/210231403.db2.gz LUJGRVQYPXCCKF-IBGZPJMESA-N 0 0 375.425 0.589 40 0 GCABRN CC(=O)NCCn1nc([C@H]2CCN(C(=O)[C@H]3CCCCO3)C2)c2nccnc21 ZINC000019021480 210223881 /nfs/dbraw/zinc/22/38/81/210223881.db2.gz WSFOABCOXYJNCT-LSDHHAIUSA-N 0 0 386.456 0.847 40 0 GCABRN CC(=O)N1CCc2nc([C@@H]3CCCCN3C(=O)[C@H]3CC(=O)N(C)C3)ncc2C1 ZINC000019018160 210221240 /nfs/dbraw/zinc/22/12/40/210221240.db2.gz ZNQMXBUWYGICHQ-YOEHRIQHSA-N 0 0 385.468 0.913 40 0 GCABRN CCOC(=O)c1cc(NC(=O)C[C@@H]2NCCNC2=O)cc(C(=O)OCC)c1 ZINC000017077171 210201376 /nfs/dbraw/zinc/20/13/76/210201376.db2.gz DOEZDWNHDWDHAM-AWEZNQCLSA-N 0 0 377.397 0.457 40 0 GCABRN C[C@H](Oc1ccc(S(=O)(=O)N2CCOCC2)cc1)C(=O)N1CCOCC1 ZINC000016322243 210188546 /nfs/dbraw/zinc/18/85/46/210188546.db2.gz YQKBUPBGLLDBNB-AWEZNQCLSA-N 0 0 384.454 0.334 40 0 GCABRN CNC(=O)[C@@H](C)Oc1ccc(S(=O)(=O)NCCCN2CCOCC2)cc1 ZINC000408600405 529895204 /nfs/dbraw/zinc/89/52/04/529895204.db2.gz ASPBVUKJBZZKPG-CQSZACIVSA-N 0 0 385.486 0.201 40 0 GCABRN CCN(CC)S(=O)(=O)N1CCN(S(=O)(=O)N2CCC(C)CC2)CC1 ZINC000019715949 530146514 /nfs/dbraw/zinc/14/65/14/530146514.db2.gz KGYIOVLOXPOCHV-UHFFFAOYSA-N 0 0 382.552 0.167 40 0 GCABRN C[C@H](NC(=O)[C@@H]1CCCN(S(C)(=O)=O)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000044402081 530182160 /nfs/dbraw/zinc/18/21/60/530182160.db2.gz OJZFBNOAGDMBPR-GXTWGEPZSA-N 0 0 388.511 0.939 40 0 GCABRN O=C(NC1CS(=O)(=O)C1)[C@H]1CN(Cc2nccs2)CC12CCOCC2 ZINC000585102033 530222958 /nfs/dbraw/zinc/22/29/58/530222958.db2.gz ZRGWRKBKORBYIL-CYBMUJFWSA-N 0 0 385.511 0.285 40 0 GCABRN COC[C@H]1CCC2(CCN(C(=O)c3nnsc3C)CC2)N1S(C)(=O)=O ZINC000585103925 530223012 /nfs/dbraw/zinc/22/30/12/530223012.db2.gz WCHWHFNKJTXWBS-GFCCVEGCSA-N 0 0 388.515 0.892 40 0 GCABRN O=S(=O)(N[C@H]1CO[C@@H](CN2CCC(F)(F)CC2)[C@@H]1O)c1ccccc1 ZINC000514288890 530271046 /nfs/dbraw/zinc/27/10/46/530271046.db2.gz JHVXCWFQFRDMCI-SOUVJXGZSA-N 0 0 376.425 0.824 40 0 biogenic,in-vitro GCABRN COC(=O)COc1ccc(S(=O)(=O)N2CCC(C(N)=O)CC2)cc1Cl ZINC000000810125 530297655 /nfs/dbraw/zinc/29/76/55/530297655.db2.gz WRYZBNGLHWEJQF-UHFFFAOYSA-N 0 0 390.845 0.778 40 0 GCABRN O=C(NC[C@H]1CO[C@@H]2CN(S(=O)(=O)C(F)(F)F)C[C@H]12)c1ccncc1 ZINC000575402885 530304069 /nfs/dbraw/zinc/30/40/69/530304069.db2.gz DHASXRDEKMPTTA-QJPTWQEYSA-N 0 0 379.360 0.608 40 0 GCABRN CCOC(=O)CNS(=O)(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000004184809 530312939 /nfs/dbraw/zinc/31/29/39/530312939.db2.gz VTRSMHGNZJLUOF-UHFFFAOYSA-N 0 0 376.456 0.313 40 0 GCABRN COc1ccc(S(=O)(=O)NCc2ccc(S(N)(=O)=O)cc2)cc1OC ZINC000007375738 530342311 /nfs/dbraw/zinc/34/23/11/530342311.db2.gz WTJLNZWOKHXWOU-UHFFFAOYSA-N 0 0 386.451 0.830 40 0 GCABRN C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)NCCN1CCOCC1 ZINC000068518228 530380094 /nfs/dbraw/zinc/38/00/94/530380094.db2.gz AQVRKGLSLJLMFN-LBPRGKRZSA-N 0 0 375.878 0.455 40 0 GCABRN CS(=O)(=O)N1C[C@H](C(=O)N2CCN(C=O)CC2)Oc2ccc(Cl)cc21 ZINC000216239329 530490932 /nfs/dbraw/zinc/49/09/32/530490932.db2.gz ABTTYXRMSKWLNU-CQSZACIVSA-N 0 0 387.845 0.168 40 0 GCABRN CCS(=O)(=O)N(C)CC(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1C ZINC000225958439 530508099 /nfs/dbraw/zinc/50/80/99/530508099.db2.gz JNRCHHAZDJDTHP-UHFFFAOYSA-N 0 0 377.488 0.465 40 0 GCABRN Cc1ccc(C)c(S(=O)(=O)N(C)CC(=O)NCCSc2nc[nH]n2)c1 ZINC000225928055 530508149 /nfs/dbraw/zinc/50/81/49/530508149.db2.gz YDSKZMHTGYPFMK-UHFFFAOYSA-N 0 0 383.499 0.951 40 0 GCABRN Cc1nc(SCCNS(=O)(=O)c2ccc(NS(C)(=O)=O)cc2)n[nH]1 ZINC000223019685 530503104 /nfs/dbraw/zinc/50/31/04/530503104.db2.gz GTPREPMSOHVKGX-UHFFFAOYSA-N 0 0 391.500 0.555 40 0 GCABRN O=C(O[C@@H]1[C@@H](Oc2ccccc2CO)O[C@@H](CO)[C@@H](O)[C@@H]1O)c1ccccc1 ZINC000014689570 210122897 /nfs/dbraw/zinc/12/28/97/210122897.db2.gz FWPNCAYVELBDRB-STEXWYFWSA-N 0 0 390.388 0.222 40 0 GCABRN Cc1cc(C)c(S(=O)(=O)N(C[C@@H](O)CO)[C@@H]2CCS(=O)(=O)C2)cc1C ZINC000575420994 530688139 /nfs/dbraw/zinc/68/81/39/530688139.db2.gz GBZOHQMHDVLKEH-HUUCEWRRSA-N 0 0 391.511 0.143 40 0 GCABRN O=S(=O)(c1ccccc1)N([C@@H]1CCS(=O)(=O)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000575420334 530688477 /nfs/dbraw/zinc/68/84/77/530688477.db2.gz AWFXEFMKLMOGLW-CHWSQXEVSA-N 0 0 393.508 0.052 40 0 GCABRN CCOC(=O)N[C@H]1CS(=O)(=O)C[C@@H]1NS(=O)(=O)c1ccc(C)cc1C ZINC000575422377 530688719 /nfs/dbraw/zinc/68/87/19/530688719.db2.gz BMSGCPKUIAWKLL-STQMWFEESA-N 0 0 390.483 0.493 40 0 GCABRN CCOC(=O)N[C@@H]1CS(=O)(=O)C[C@@H]1NS(=O)(=O)c1ccc(Cl)cc1 ZINC000575424036 530688792 /nfs/dbraw/zinc/68/87/92/530688792.db2.gz JPKKXFJIIXJHSZ-NEPJUHHUSA-N 0 0 396.874 0.530 40 0 GCABRN CN(C)N([C@@H]1CS(=O)(=O)C[C@H]1O)S(=O)(=O)c1ccc2ccccc2c1 ZINC000575425568 530689089 /nfs/dbraw/zinc/68/90/89/530689089.db2.gz ZYYCHSRPZONJLK-HZPDHXFCSA-N 0 0 384.479 0.465 40 0 GCABRN Cc1ccc(Cl)cc1S(=O)(=O)N(C[C@@H](O)CO)[C@@H]1CCS(=O)(=O)C1 ZINC000575426225 530690234 /nfs/dbraw/zinc/69/02/34/530690234.db2.gz OZWLJLYBTLNCPL-CHWSQXEVSA-N 0 0 397.902 0.179 40 0 GCABRN CCn1c(=O)n(CC(=O)N2CCN(C(=O)c3ccco3)CC2)c2cccnc21 ZINC000012144400 209913693 /nfs/dbraw/zinc/91/36/93/209913693.db2.gz YBBAOIVETVXEKL-UHFFFAOYSA-N 0 0 383.408 0.796 40 0 GCABRN COCCNC(=O)[C@H]1C[C@@H](O)[C@H](O)[C@@H]2N=C(Nc3ccc(C)cc3)S[C@@H]21 ZINC000008254657 291101281 /nfs/dbraw/zinc/10/12/81/291101281.db2.gz FEXRXHDYNOWKFZ-XFIYOXNOSA-N 0 0 379.482 0.751 40 0 biogenic,in-vitro GCABRN CCO[C@@]1(COC(C)=O)O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O ZINC000005732084 209613249 /nfs/dbraw/zinc/61/32/49/209613249.db2.gz DQHZSEKAVUOAPQ-JJXSEGSLSA-N 0 0 376.358 0.108 40 0 GCABRN CC(=O)OC[C@@H]1O[C@@H]2O[C@@](C)(OC(C)C)O[C@@H]2[C@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000005440058 209594054 /nfs/dbraw/zinc/59/40/54/209594054.db2.gz JCJBPCYHIVDESZ-WYJHLCISSA-N 0 0 390.385 0.652 40 0 GCABRN OC[C@@H]1O[C@H](n2cnc3c2nc(F)nc3SCc2ccccc2)[C@H](O)[C@@H]1O ZINC000004916578 209543823 /nfs/dbraw/zinc/54/38/23/209543823.db2.gz VCRUCRQMQNMLHN-XQCUEUFKSA-N 0 0 392.412 0.869 40 0 GCABRN CC[C@@H](C)[C@H](NC(=O)[C@@H](C)NC(=O)CNC(=O)OCc1ccccc1)C(N)=O ZINC000004574705 209498551 /nfs/dbraw/zinc/49/85/51/209498551.db2.gz ZJNITTSQIVIBPV-IOASZLSFSA-N 0 0 392.456 0.434 40 0 GCABRN CC(=O)N[C@@H]1[C@@H](OCc2ccccc2)O[C@@H](CO)[C@@H](OC(C)=O)[C@H]1OC(C)=O ZINC000004303677 209476722 /nfs/dbraw/zinc/47/67/22/209476722.db2.gz RHHNTCYTVQANIZ-OYSTVDSJSA-N 0 0 395.408 0.289 40 0 GCABRN COC(=O)[C@@H](NC(=O)[C@H](CO)N1C(=O)c2ccccc2C1=O)c1ccccc1 ZINC000001590920 209334153 /nfs/dbraw/zinc/33/41/53/209334153.db2.gz BMAULSIJZXQEMX-HOTGVXAUSA-N 0 0 382.372 0.674 40 0 GCABRN Cn1ccnc1-c1nnc2n(c1=O)CC[C@]21CCN(C(=O)c2ccncc2)C1 ZINC000306143312 212054293 /nfs/dbraw/zinc/05/42/93/212054293.db2.gz XYMZGAHMIYTZQY-IBGZPJMESA-N 0 0 377.408 0.621 40 0 GCABRN CCS(=O)(=O)N1C[C@H]2Cc3nnc(C(=O)Nc4ccccc4)n3C[C@H]2C1 ZINC000306139726 212053787 /nfs/dbraw/zinc/05/37/87/212053787.db2.gz TYTBXXCZIJLSJD-CHWSQXEVSA-N 0 0 375.454 0.984 40 0 GCABRN CC(C)N1[C@H]2CN(Cc3cnn(C)c3)C[C@H]2N(C)c2ncccc2S1(=O)=O ZINC000306135377 212051999 /nfs/dbraw/zinc/05/19/99/212051999.db2.gz OPJHQJLESGUQBX-CVEARBPZSA-N 0 0 390.513 0.917 40 0 GCABRN CN1CCN(c2ncc3c(n2)[C@]2(CCN(C(=O)c4ncccn4)C2)COC3)CC1 ZINC000306134139 212051180 /nfs/dbraw/zinc/05/11/80/212051180.db2.gz NEFKBNPGXQASLR-FQEVSTJZSA-N 0 0 395.467 0.333 40 0 GCABRN CN(C)S(=O)(=O)N1C[C@H]2Cc3nnc(C(=O)Nc4ccccc4)n3C[C@H]2C1 ZINC000306132218 212049931 /nfs/dbraw/zinc/04/99/31/212049931.db2.gz LCBIMAAHMQZLOH-CHWSQXEVSA-N 0 0 390.469 0.441 40 0 GCABRN Cc1nc(Cn2nc3n(c(=O)c2=O)CC[C@@]32CCN(C(=O)C3CC3)C2)cs1 ZINC000306128486 212047695 /nfs/dbraw/zinc/04/76/95/212047695.db2.gz HBLXGNZUTDFDCA-GOSISDBHSA-N 0 0 387.465 0.502 40 0 GCABRN O=C(c1ccco1)N1CC[C@]2(C1)Cn1c(nn(C3CCCC3)c(=O)c1=O)CO2 ZINC000306130625 212046516 /nfs/dbraw/zinc/04/65/16/212046516.db2.gz JLKXRJSLLRBVCY-IBGZPJMESA-N 0 0 386.408 0.928 40 0 GCABRN COc1cc(N2Cc3ccnn3[C@H](CCNS(=O)(=O)C3CC3)C2)ncn1 ZINC000306125311 212044714 /nfs/dbraw/zinc/04/47/14/212044714.db2.gz CMGNATMEVUKSGC-CYBMUJFWSA-N 0 0 378.458 0.715 40 0 GCABRN O=C(c1cnccn1)N1CC2(C1)[C@H](COCc1ccccn1)CCS2(=O)=O ZINC000306123197 212042729 /nfs/dbraw/zinc/04/27/29/212042729.db2.gz AHBBTSZGXTZOOV-AWEZNQCLSA-N 0 0 388.449 0.718 40 0 GCABRN CNC(=O)[C@H]1CN(C(=O)c2ccc(OC)c(Cn3cccn3)c2)CCN1C(C)=O ZINC000257317796 212024304 /nfs/dbraw/zinc/02/43/04/212024304.db2.gz VLEQFUNIGGDXKC-QGZVFWFLSA-N 0 0 399.451 0.359 40 0 GCABRN Nc1nc2c(c(N)n1)C[C@]1(COCC[N@H+](Cc3ccc(/C=C/C(=O)[O-])cc3)C1)O2 ZINC000257322441 212024384 /nfs/dbraw/zinc/02/43/84/212024384.db2.gz WFZSVGHNMDJTNL-XJDXJNMNSA-N 0 0 397.435 0.945 40 0 GCABRN CCC1(NS(=O)(=O)c2ccc(NC(C)=O)cc2)C(=O)N(C)C(=O)N(C)C1=O ZINC000001705175 203917347 /nfs/dbraw/zinc/91/73/47/203917347.db2.gz FSJNPUICEJCQQT-UHFFFAOYSA-N 0 0 396.425 0.123 40 0 GCABRN CC(C)C[C@@H](NC(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C)C(=O)NCC(N)=O ZINC000004354365 204040225 /nfs/dbraw/zinc/04/02/25/204040225.db2.gz MZKJRCQSMFAOCW-OLZOCXBDSA-N 0 0 384.477 0.518 40 0 GCABRN O=C(OC[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)COC(=O)c1ccccc1)c1ccccc1 ZINC000004403202 204043450 /nfs/dbraw/zinc/04/34/50/204043450.db2.gz LDFVROHMRYBVGB-BRSBDYLESA-N 0 0 390.388 0.144 40 0 GCABRN OC[C@@H]1O[C@@H](n2cnc3c2nc(F)nc3SCc2ccccc2)[C@@H](O)[C@@H]1O ZINC000004916590 204091305 /nfs/dbraw/zinc/09/13/05/204091305.db2.gz VCRUCRQMQNMLHN-YPHNTLSLSA-N 0 0 392.412 0.869 40 0 GCABRN CC(=O)N1C[C@H]([NH2+][C@@H](Cc2c[nH]cn2)C(=O)[O-])C(c2ccc(N(C)C)cc2)=N1 ZINC000006022446 204162015 /nfs/dbraw/zinc/16/20/15/204162015.db2.gz JWWXOYVUAOFRDC-IRXDYDNUSA-N 0 0 384.440 0.696 40 0 GCABRN CCOC(=O)[C@H]1C([O-])=NC(N2CCN(C=O)CC2)=[NH+][C@H]1c1ccccc1OC ZINC000010157517 204332092 /nfs/dbraw/zinc/33/20/92/204332092.db2.gz PPHVVEQAOZKDNK-CVEARBPZSA-N 0 0 388.424 0.175 40 0 GCABRN CC(C)NC(=O)Cn1c2ccc(S(=O)(=O)N3CCOCC3)cc2oc1=O ZINC000027915022 209177853 /nfs/dbraw/zinc/17/78/53/209177853.db2.gz PSOKQLROOOPBTM-UHFFFAOYSA-N 0 0 383.426 0.140 40 0 GCABRN COc1ccc2cc(C)c3nn(CC(=O)N4CCNC(=O)C4(C)C)c(=O)n3c2c1 ZINC000012181580 204378308 /nfs/dbraw/zinc/37/83/08/204378308.db2.gz RNGSYEIDBVNTEF-UHFFFAOYSA-N 0 0 397.435 0.703 40 0 GCABRN CCOC(=O)N1CCN(S(=O)(=O)c2ccc(N3C(=O)CCC3=O)cc2)CC1 ZINC000012199680 204382524 /nfs/dbraw/zinc/38/25/24/204382524.db2.gz DJACZRISLNNEDA-UHFFFAOYSA-N 0 0 395.437 0.803 40 0 GCABRN CC(=O)N1CCN(C(=O)Cn2nc(C(F)(F)F)cc2C)C[C@H]1C(=O)N(C)C ZINC000257274356 212014255 /nfs/dbraw/zinc/01/42/55/212014255.db2.gz NKQXNVGACZAIEB-LBPRGKRZSA-N 0 0 389.378 0.358 40 0 GCABRN CNC(=O)[C@@H]1CN(C(=O)Cn2nc(C)ccc2=O)CCN1CCc1ccccc1 ZINC000257272131 212014266 /nfs/dbraw/zinc/01/42/66/212014266.db2.gz NBEZHSGZHXMSBY-SFHVURJKSA-N 0 0 397.479 0.053 40 0 GCABRN CNc1ncnc2c1ncn2[C@@H]1CC[C@@H](NC(=O)c2ccc(C)cn2)[C@H](O)[C@H]1O ZINC000257269433 212013858 /nfs/dbraw/zinc/01/38/58/212013858.db2.gz MPXOAUKQYOXCIY-OYNZBZHQSA-N 0 0 397.439 0.427 40 0 GCABRN Cc1cc(C(=O)N2C[C@H]3OCC(=O)N(Cc4ccc(F)cc4)[C@@H]3C2)nc(N)n1 ZINC000257257035 212013208 /nfs/dbraw/zinc/01/32/08/212013208.db2.gz KNVUANIDGQBNIV-HZPDHXFCSA-N 0 0 385.399 0.758 40 0 GCABRN Nc1ncnc2c1ncn2[C@@H]1CN(C(=O)CCn2cnc3ccccc32)C[C@H]1O ZINC000257229289 212007233 /nfs/dbraw/zinc/00/72/33/212007233.db2.gz FXNADUCCOLRIJH-HUUCEWRRSA-N 0 0 392.423 0.593 40 0 GCABRN CNC(=O)[C@H]1CN(S(=O)(=O)c2cn(C)nc2C)CCN1Cc1ccccc1 ZINC000257200250 212001991 /nfs/dbraw/zinc/00/19/91/212001991.db2.gz ACOPZWCKWHVSRS-MRXNPFEDSA-N 0 0 391.497 0.350 40 0 GCABRN Cc1cccc2c(C[C@H](C)NC(=O)Cn3cnc4c3c(=O)[nH]c(=O)n4C)c[nH]c21 ZINC000019236630 204632875 /nfs/dbraw/zinc/63/28/75/204632875.db2.gz CMSZIXVNBHKHLL-LBPRGKRZSA-N 0 0 394.435 0.960 40 0 GCABRN CS(=O)(=O)NCC(=O)N1CCC[C@H](c2ccc(C(=O)N3CCCC3)cn2)C1 ZINC000019705730 204672103 /nfs/dbraw/zinc/67/21/03/204672103.db2.gz SNYLPKOLGRDUFK-HNNXBMFYSA-N 0 0 394.497 0.573 40 0 GCABRN Cc1ccc(S(=O)(=O)N2CCC[C@H]2NC(=O)NCCN2CCOCC2)cc1 ZINC000036625106 205019679 /nfs/dbraw/zinc/01/96/79/205019679.db2.gz SBKMEUWPSCBVMW-KRWDZBQOSA-N 0 0 396.513 0.737 40 0 GCABRN CN(C)C(=O)CN1C(=O)CO[C@H](c2ccc(NC(=O)C3CCC3)cc2)[C@H]1CO ZINC000072321309 205030764 /nfs/dbraw/zinc/03/07/64/205030764.db2.gz YCWVSXDIXRBHBJ-VQIMIIECSA-N 0 0 389.452 0.774 40 0 biogenic,in-vitro GCABRN O=C(NCCc1ccccc1)[C@@H]1CC(=O)Nc2nc(N3CCOCC3)[nH]c(=O)c21 ZINC000038828183 205039240 /nfs/dbraw/zinc/03/92/40/205039240.db2.gz UFRMJNZDTRBMMB-CQSZACIVSA-N 0 0 397.435 0.391 40 0 GCABRN CCOC(=O)N1CCN(CC(=O)N2c3ccccc3C(=O)N(C)CC2=O)CC1 ZINC000040385974 205062436 /nfs/dbraw/zinc/06/24/36/205062436.db2.gz IUXIONKRRXZUDW-UHFFFAOYSA-N 0 0 388.424 0.406 40 0 GCABRN O=CN1CCN(CC(=O)N2c3ccccc3C(=O)N3CCCC[C@H]3C2=O)CC1 ZINC000040386411 205063104 /nfs/dbraw/zinc/06/31/04/205063104.db2.gz BLAHPKUVTSEFAI-KRWDZBQOSA-N 0 0 384.436 0.329 40 0 GCABRN NC(=O)NC(=O)[C@@H]1CC(=O)Nc2nc(Nc3cccc(Cl)c3)[nH]c(=O)c21 ZINC000040399432 205063864 /nfs/dbraw/zinc/06/38/64/205063864.db2.gz SRAYSCLICADVCW-MRVPVSSYSA-N 0 0 376.760 0.788 40 0 GCABRN Cc1cc(C)n2nc(C(=O)NCCn3nnn(-c4cccs4)c3=O)cc2n1 ZINC000072341018 205328239 /nfs/dbraw/zinc/32/82/39/205328239.db2.gz SYXMWZDHUWYOMG-UHFFFAOYSA-N 0 0 384.425 0.580 40 0 GCABRN COCCNC(=O)c1ccccc1NC(=O)[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000222604171 211805293 /nfs/dbraw/zinc/80/52/93/211805293.db2.gz NYBLHCFYKKAXTE-ZDUSSCGKSA-N 0 0 383.470 0.673 40 0 GCABRN CC(C)CCN1C[C@@]23CN(C(=O)c4cncn4C)C[C@@H](C[C@@H]2S1(=O)=O)O3 ZINC000096146065 205532213 /nfs/dbraw/zinc/53/22/13/205532213.db2.gz TZECRZPGSKMRMA-KMFMINBZSA-N 0 0 382.486 0.464 40 0 GCABRN O=C(c1ccncn1)N1CCC2(CC1)NC(=O)[C@H]1CN(c3ncccn3)C[C@H]12 ZINC000096262189 205552180 /nfs/dbraw/zinc/55/21/80/205552180.db2.gz RLHGDDWWMDKACS-UONOGXRCSA-N 0 0 379.424 0.124 40 0 GCABRN CN1CCN(C(=O)c2nn(-c3ccccn3)c3c2CS(=O)(=O)CC3)CC1 ZINC000041070358 205612766 /nfs/dbraw/zinc/61/27/66/205612766.db2.gz PUTVYOWRQPDENA-UHFFFAOYSA-N 0 0 375.454 0.126 40 0 GCABRN O=C(C[C@@H]1O[C@H](CNC(=O)c2cccs2)[C@@H](O)[C@H]1O)NCc1ccccc1 ZINC000008643303 205795045 /nfs/dbraw/zinc/79/50/45/205795045.db2.gz DRPUJQZNKQPVFJ-IHETXDGRSA-N 0 0 390.461 0.674 40 0 biogenic,in-vitro GCABRN Cc1ccc(NC(=O)NC[C@H]2O[C@@H](CC(=O)N3CCCC3)[C@H](O)[C@@H]2O)cc1 ZINC000008643409 205794429 /nfs/dbraw/zinc/79/44/29/205794429.db2.gz LJVMNOBEDJECDE-CIRFHOKZSA-N 0 0 377.441 0.618 40 0 biogenic,in-vitro GCABRN c1ccn(-n2c(CCCN3CCOCC3)nnc2CCCN2CCOCC2)c1 ZINC000225152441 206039432 /nfs/dbraw/zinc/03/94/32/206039432.db2.gz DBADIOUXOSXNRE-UHFFFAOYSA-N 0 0 388.516 0.921 40 0 GCABRN CN(C)S(=O)(=O)N(C)CC(=O)Nc1ccc(CC(=O)N2CCCC2)cc1 ZINC000225960324 206085054 /nfs/dbraw/zinc/08/50/54/206085054.db2.gz FGRSKHWCNQMUCQ-UHFFFAOYSA-N 0 0 382.486 0.528 40 0 GCABRN COc1cc(CN(C)C(=O)CN(C)S(=O)(=O)N(C)C)cc(OC)c1OC ZINC000225959760 206085335 /nfs/dbraw/zinc/08/53/35/206085335.db2.gz FKZANXMFDXINQR-UHFFFAOYSA-N 0 0 389.474 0.409 40 0 GCABRN COc1ccc([C@@H](CC(=O)NCCSc2nc[nH]n2)NS(C)(=O)=O)cc1 ZINC000225953278 206085966 /nfs/dbraw/zinc/08/59/66/206085966.db2.gz QGEZEPKYQNXAQE-CYBMUJFWSA-N 0 0 399.498 0.702 40 0 GCABRN CNC(=O)[C@@H](c1ccc(OC)cc1)N1CCC[C@H]1C(=O)NCCNC(C)=O ZINC000096113001 206118308 /nfs/dbraw/zinc/11/83/08/206118308.db2.gz SZXHNATVQWJCNE-DLBZAZTESA-N 0 0 376.457 0.199 40 0 biogenic,in-vitro GCABRN O=C(CN1C(=O)[C@@H]2[C@H]3C=C[C@H](C3)[C@@H]2C1=O)N[C@@H]1CS(=O)(=O)c2ccccc21 ZINC000238901057 206124926 /nfs/dbraw/zinc/12/49/26/206124926.db2.gz KRCRFRLPVQRJKG-GYXFDVGMSA-N 0 0 386.429 0.438 40 0 GCABRN CS(=O)(=O)CCC(=O)N1Cc2ccnn2C[C@H](CNc2ncccn2)C1 ZINC000247545246 206134108 /nfs/dbraw/zinc/13/41/08/206134108.db2.gz UGQDWPIIPYFDAP-CYBMUJFWSA-N 0 0 378.458 0.178 40 0 GCABRN CN(C)c1cc(N2CC3(C2)C[C@H](OCC(=O)N2CCCC2)CCO3)ncn1 ZINC000248081049 206136191 /nfs/dbraw/zinc/13/61/91/206136191.db2.gz CPSFIMDHUGUGCI-OAHLLOKOSA-N 0 0 375.473 0.919 40 0 GCABRN Cn1cc(C(=O)N2CC3(C2)[C@@H](COc2ccccn2)CCS3(=O)=O)cn1 ZINC000248153516 206136762 /nfs/dbraw/zinc/13/67/62/206136762.db2.gz VALDAEXGIRKBBT-CQSZACIVSA-N 0 0 376.438 0.523 40 0 GCABRN Cc1nn(C)c(C)c1NC(=O)CN1CCN(Cc2ccccc2)C[C@H]1C(N)=O ZINC000257200570 206157062 /nfs/dbraw/zinc/15/70/62/206157062.db2.gz ADVRZMKZEPDEFR-KRWDZBQOSA-N 0 0 384.484 0.647 40 0 GCABRN CN(C(=O)CCc1nc2ccccc2[nH]1)[C@@H]1CC[C@@H](N2CCNC(=O)C2)[C@@H]1O ZINC000257209509 206159940 /nfs/dbraw/zinc/15/99/40/206159940.db2.gz BQSCYEZQXDUAPM-JXXFODFXSA-N 0 0 385.468 0.278 40 0 GCABRN Cc1ccc2[nH]c(COCC(=O)N[C@@H]3CC[C@@H](N4CCOCC4)[C@@H]3O)nc2c1 ZINC000257285207 206172966 /nfs/dbraw/zinc/17/29/66/206172966.db2.gz PGCLPKZJIPWJAT-WRWLIDTKSA-N 0 0 388.468 0.728 40 0 GCABRN CC(=O)N1CCN(C(=O)Cn2c3ccccc3nc2C(F)(F)F)C[C@H]1C(N)=O ZINC000257294089 206174198 /nfs/dbraw/zinc/17/41/98/206174198.db2.gz QSJGXTMHQMFXIL-ZDUSSCGKSA-N 0 0 397.357 0.600 40 0 GCABRN CNC(=O)[C@H]1CN(Cc2ccccc2)CCN1CC(=O)Nc1cc(C)n(C)n1 ZINC000257308066 206175988 /nfs/dbraw/zinc/17/59/88/206175988.db2.gz TVGYAQVKRVSTLA-QGZVFWFLSA-N 0 0 384.484 0.599 40 0 GCABRN O=C(c1cc(-c2ccccc2)no1)N1CC[C@@H](O)[C@@H](O)[C@H](N2CCOCC2)C1 ZINC000257235024 206164413 /nfs/dbraw/zinc/16/44/13/206164413.db2.gz GWBMZYDKTODDPR-LMMKCTJWSA-N 0 0 387.436 0.610 40 0 GCABRN CC(C)[C@@H](NC(=O)[C@H]1CCCN1C(=O)OC(C)(C)C)C(=O)N[C@@H](C)C(N)=O ZINC000012342558 211680139 /nfs/dbraw/zinc/68/01/39/211680139.db2.gz ORPWHDPCKJWVIC-YNEHKIRRSA-N 0 0 384.477 0.517 40 0 GCABRN COCCNC(=O)[C@H]1CN(C(=O)COC)C[C@@H]1c1ccnc(N2CCCC2)n1 ZINC000257264814 206169816 /nfs/dbraw/zinc/16/98/16/206169816.db2.gz LWCASSJKIBJXKO-GJZGRUSLSA-N 0 0 391.472 0.028 40 0 GCABRN O=C(CN1CCCC1=O)N1C[C@H]2OCC(=O)N(Cc3ccc(F)cc3)[C@@H]2C1 ZINC000257270215 206170556 /nfs/dbraw/zinc/17/05/56/206170556.db2.gz MTEWJMUVHKBQBG-HZPDHXFCSA-N 0 0 375.400 0.386 40 0 GCABRN Cc1nc(N)sc1C(=O)N1CCOC[C@](O)(CNC(=O)c2ccccn2)C1 ZINC000257342731 206181445 /nfs/dbraw/zinc/18/14/45/206181445.db2.gz ZPXGMHVNLRIIPJ-KRWDZBQOSA-N 0 0 391.453 0.062 40 0 GCABRN Cc1nc(Cn2nc3n(c(=O)c2=O)C[C@]2(CCN(C(=O)C4CC4)C2)C3)cs1 ZINC000306123523 206195123 /nfs/dbraw/zinc/19/51/23/206195123.db2.gz APIUNSDFJHPEMQ-GOSISDBHSA-N 0 0 387.465 0.403 40 0 GCABRN CC(=O)N1[C@H]2C[C@@]3(C)[C@@H]1CC[C@@H](CN(C(=O)c1cc(=O)[nH]c(=O)[nH]1)C2)[C@H]3O ZINC000257331917 206179916 /nfs/dbraw/zinc/17/99/16/206179916.db2.gz XUVVVYNQQDQJMO-UGUIXCICSA-N 0 0 376.413 0.110 40 0 GCABRN O=C(N[C@@H]1C[C@@H](Oc2cccc(F)c2)[C@H](O)[C@H]1N1CCOCC1)c1cn[nH]c1 ZINC000257336675 206181275 /nfs/dbraw/zinc/18/12/75/206181275.db2.gz YPMYUYMMGFHXJS-BDXSIMOUSA-N 0 0 390.415 0.560 40 0 GCABRN CCC(=O)N1CCN(c2nc3c(c(=O)[nH]c(=O)n3C)n2Cc2ccccc2)CC1 ZINC000072260151 206208617 /nfs/dbraw/zinc/20/86/17/206208617.db2.gz GGQREAFZIMFQDX-UHFFFAOYSA-N 0 0 396.451 0.530 40 0 GCABRN O=C(c1cnccn1)N1CC2(C1)[C@@H](COCc1ccccn1)CCS2(=O)=O ZINC000306123198 206195319 /nfs/dbraw/zinc/19/53/19/206195319.db2.gz AHBBTSZGXTZOOV-CQSZACIVSA-N 0 0 388.449 0.718 40 0 GCABRN O=C(c1ccco1)N1C[C@@H]2Cn3c(nn(Cc4ccccc4)c(=O)c3=O)[C@@H]2C1 ZINC000306127287 206198265 /nfs/dbraw/zinc/19/82/65/206198265.db2.gz FUDYRWMBWNTHJG-HUUCEWRRSA-N 0 0 378.388 0.916 40 0 GCABRN O=C1N(c2cncnc2)C[C@@]2(F)CN(S(=O)(=O)c3ccccc3)C[C@@]12F ZINC000306127399 206199665 /nfs/dbraw/zinc/19/96/65/206199665.db2.gz FXYWXKJQOYPUSZ-JKSUJKDBSA-N 0 0 380.376 0.944 40 0 GCABRN Cc1nc(Cn2nc3n(c(=O)c2=O)CC[C@]32CCN(C(=O)C3CC3)C2)cs1 ZINC000306128487 206199833 /nfs/dbraw/zinc/19/98/33/206199833.db2.gz HBLXGNZUTDFDCA-SFHVURJKSA-N 0 0 387.465 0.502 40 0 GCABRN CS(=O)(=O)NC[C@@H]1Cn2nccc2CN(C(=O)c2cc(C3CC3)on2)C1 ZINC000306132083 206202158 /nfs/dbraw/zinc/20/21/58/206202158.db2.gz KXRKGDGPNAYOPM-NSHDSACASA-N 0 0 379.442 0.570 40 0 GCABRN O=C(c1ccoc1)N1CCO[C@@H](Cn2nnc3c2ncnc3N2CCCC2)C1 ZINC000306135934 206203137 /nfs/dbraw/zinc/20/31/37/206203137.db2.gz PEVVGQBHHVPRQV-CQSZACIVSA-N 0 0 383.412 0.956 40 0 GCABRN C[C@@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)N1C(=O)[C@@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C1=O ZINC000169679487 211639158 /nfs/dbraw/zinc/63/91/58/211639158.db2.gz ORPWLMJRWWIUFM-VOAKKNSGSA-N 0 0 389.433 0.468 40 0 GCABRN CCn1c(SCC(=O)N2CCC(C)CC2)nc2c1c(=O)n(C)c(=O)n2C ZINC000004161090 211533461 /nfs/dbraw/zinc/53/34/61/211533461.db2.gz XWSTYPNIZUXQHA-UHFFFAOYSA-N 0 0 379.486 0.804 40 0 GCABRN CN(C)C(=O)CN1C[C@H]2CCN(C(=O)c3ccncc3)CC[C@H]2S1(=O)=O ZINC000107184057 211443228 /nfs/dbraw/zinc/44/32/28/211443228.db2.gz PSFSSNIYNWKXOI-HUUCEWRRSA-N 0 0 380.470 0.036 40 0 GCABRN CN(C)C(=O)N1CCN(C)[C@@H](c2nnc3ccc(C(=O)NCC4CC4)cn32)C1 ZINC000096268053 211328940 /nfs/dbraw/zinc/32/89/40/211328940.db2.gz FCVHWPFDSCIMII-OAHLLOKOSA-N 0 0 385.472 0.839 40 0 GCABRN COCCN(C)C(=O)c1ccc2nnc([C@H]3CCN(S(C)(=O)=O)C3)n2c1 ZINC000096267663 211327919 /nfs/dbraw/zinc/32/79/19/211327919.db2.gz GIGBPLDDHADMBM-LBPRGKRZSA-N 0 0 381.458 0.197 40 0 GCABRN COCCN1C[C@H]2CCN(C(=O)COc3ccccc3)CC[C@H]2S1(=O)=O ZINC000096263792 211327266 /nfs/dbraw/zinc/32/72/66/211327266.db2.gz XDDPNRASODMBOD-NVXWUHKLSA-N 0 0 382.482 0.964 40 0 GCABRN CC(C)(C)CC(=O)N1CC[C@@H]2[C@H](CC1)N(S(C)(=O)=O)CCS2(=O)=O ZINC000096251595 211325096 /nfs/dbraw/zinc/32/50/96/211325096.db2.gz IHPLHZXYPUHUQM-QWHCGFSZSA-N 0 0 380.532 0.472 40 0 GCABRN Cc1ccc(CN2C[C@H]3[C@@H](C2)S(=O)(=O)CC[C@H]3C(=O)N2CCOCC2)o1 ZINC000096251017 211324547 /nfs/dbraw/zinc/32/45/47/211324547.db2.gz XIDHUTQNFMSOME-BRWVUGGUSA-N 0 0 382.482 0.682 40 0 GCABRN CCC(=O)N1CCC2(CC1)O[C@H](C(=O)NCc1cnc(C)cn1)Cn1ccnc12 ZINC000096243846 211324323 /nfs/dbraw/zinc/32/43/23/211324323.db2.gz TXCGTEWOJKATPR-INIZCTEOSA-N 0 0 398.467 0.924 40 0 GCABRN CN(C)c1nc(N2CCCC2)nc2c1CN(S(=O)(=O)c1cn(C)cn1)CC2 ZINC000096058571 211298805 /nfs/dbraw/zinc/29/88/05/211298805.db2.gz KMKYDQCELDBQGR-UHFFFAOYSA-N 0 0 391.501 0.623 40 0 GCABRN COc1cccc(CC(=O)N2CCN(C(=O)N(C)C)C[C@@]3(CNC(=O)C3)C2)c1 ZINC000096143339 211308808 /nfs/dbraw/zinc/30/88/08/211308808.db2.gz WKMDMJZIYHPFRQ-FQEVSTJZSA-N 0 0 388.468 0.570 40 0 GCABRN CC1=NN(C)[C@@H]2C(N3CCN(CC(=O)Nc4ccc(F)cc4)CC3)=NC=N[C@H]12 ZINC000082086861 211159136 /nfs/dbraw/zinc/15/91/36/211159136.db2.gz LAKVTKCYGVWWTR-MSOLQXFVSA-N 0 0 385.447 0.881 40 0 GCABRN C[NH+](C)CCNC(=O)CN1CC[C@@]2(CCC1=O)CNC(=O)c1ccccc1O2 ZINC000072389659 211108157 /nfs/dbraw/zinc/10/81/57/211108157.db2.gz FUIXKLKMWDCHBX-FQEVSTJZSA-N 0 0 388.468 0.238 40 0 GCABRN C[C@@H](C(=O)N1CCNC(=O)C1)N1CC[C@]2(CC(=O)c3ccccc3O2)CCC1=O ZINC000072327647 211091554 /nfs/dbraw/zinc/09/15/54/211091554.db2.gz SDWQXDXLYUVAHD-QKKBWIMNSA-N 0 0 399.447 0.750 40 0 GCABRN CO[C@@H]1O[C@@H]2CC[C@@H]3[C@H]2[C@@H]2[C@@H]4[C@@H]5[C@@H]6[C@H]7[C@H](CC[C@@H]7[C@@H]5[C@@]21O)O[C@@H](OC)[C@]6(O)[C@@H]34 ZINC000104288788 532973113 /nfs/dbraw/zinc/97/31/13/532973113.db2.gz RJJXWMZYJXNNPT-RPRAURNUSA-N 0 0 390.476 0.995 40 0 GCABRN COc1ccc(S(=O)(=O)N[C@H](C)C(=O)NCCN2CCOCC2)cc1C ZINC000408592368 533068155 /nfs/dbraw/zinc/06/81/55/533068155.db2.gz LHOGFUSHECOPAI-CQSZACIVSA-N 0 0 385.486 0.119 40 0 GCABRN COc1ccc2c(cc3c(=O)n(CC(=O)NCCN4CCOCC4)nc(C)n32)c1 ZINC000020384638 210332089 /nfs/dbraw/zinc/33/20/89/210332089.db2.gz ZTZMJVVKLJFRAY-UHFFFAOYSA-N 0 0 399.451 0.415 40 0 GCABRN O=C([C@H]1CC(=O)N(C2CCCC2)C1)N1CCC(c2nnc3n2CCNC3)CC1 ZINC000019711268 210286174 /nfs/dbraw/zinc/28/61/74/210286174.db2.gz LWIBFIKDTXWXRW-HNNXBMFYSA-N 0 0 386.500 0.878 40 0 GCABRN CNC(=O)c1cc([C@@H]2CN(S(=O)(=O)N(C)C)CCO2)nc2ccccc21 ZINC000019762821 210294556 /nfs/dbraw/zinc/29/45/56/210294556.db2.gz CMBVVEMEJGECPG-INIZCTEOSA-N 0 0 378.454 0.774 40 0 GCABRN O=C(N[C@H]1CCc2ccc(S(=O)(=O)N3CCOCC3)cc21)c1ccn[nH]1 ZINC000019749569 210294143 /nfs/dbraw/zinc/29/41/43/210294143.db2.gz NPGSZQLHNHCBOP-HNNXBMFYSA-N 0 0 376.438 0.848 40 0 GCABRN CNc1cc(CN(C)C(C)=O)nc([C@H]2CCCN2S(=O)(=O)N2CCCC2)n1 ZINC000019759265 210293371 /nfs/dbraw/zinc/29/33/71/210293371.db2.gz UIXSMXLSGKBGDR-OAHLLOKOSA-N 0 0 396.517 0.974 40 0 GCABRN COCCNC(=O)c1ccc(C(F)(F)F)nc1N1CCN(CCO)CC1 ZINC000019593578 210275262 /nfs/dbraw/zinc/27/52/62/210275262.db2.gz HANDHASJIZRMDG-UHFFFAOYSA-N 0 0 376.379 0.591 40 0 GCABRN CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C)C(=O)N[C@@H](C)C(N)=O ZINC000005027217 220814843 /nfs/dbraw/zinc/81/48/43/220814843.db2.gz IZDFHHVPNPDEDP-IHRRRGAJSA-N 0 0 398.504 0.907 40 0 GCABRN COCCNC(=O)[C@H]1C[C@@H](c2ccc(OC)c(OC)c2)NS(=O)(=O)N1C ZINC000012129913 221155873 /nfs/dbraw/zinc/15/58/73/221155873.db2.gz BWQODTGBLNGRJE-QWHCGFSZSA-N 0 0 387.458 0.046 40 0 GCABRN CCOC(=O)[C@@H]1CCCN(C(=O)[C@H]2C[C@@H](c3ccco3)NS(=O)(=O)N2C)C1 ZINC000012130104 221157065 /nfs/dbraw/zinc/15/70/65/221157065.db2.gz DVWPBTGXDQKFEZ-HZSPNIEDSA-N 0 0 399.469 0.661 40 0 GCABRN CCOC(=O)[C@H]1CCCN(C(=O)[C@H]2C[C@@H](c3ccco3)NS(=O)(=O)N2C)C1 ZINC000012130109 221157242 /nfs/dbraw/zinc/15/72/42/221157242.db2.gz DVWPBTGXDQKFEZ-MELADBBJSA-N 0 0 399.469 0.661 40 0 GCABRN CC(C)c1nc2ccccc2c2nn(CC(=O)N3CCNC(=O)C3(C)C)c(=O)n21 ZINC000012181921 221162598 /nfs/dbraw/zinc/16/25/98/221162598.db2.gz DTXXYUTWZMSVIM-UHFFFAOYSA-N 0 0 396.451 0.905 40 0 GCABRN CC(C)CS(=O)(=O)N1CCc2nc(N3CCOCC3)nc(N(C)C)c2CC1 ZINC000096083916 136183670 /nfs/dbraw/zinc/18/36/70/136183670.db2.gz CYRWOITYALAEHY-UHFFFAOYSA-N 0 0 397.545 0.766 40 0 GCABRN COc1ccc(OC)c(S(=O)(=O)NCc2nccc(N3CCOCC3)n2)c1 ZINC000224174573 136206414 /nfs/dbraw/zinc/20/64/14/136206414.db2.gz DPCDWJZXAUSPEN-UHFFFAOYSA-N 0 0 394.453 0.809 40 0 GCABRN COc1ccc(N(CC(=O)N2CCC(C(N)=O)CC2)S(C)(=O)=O)c(OC)c1 ZINC000409028807 533984286 /nfs/dbraw/zinc/98/42/86/533984286.db2.gz SZWQUYHSIJESBL-UHFFFAOYSA-N 0 0 399.469 0.194 40 0 GCABRN CC(C)NC(=O)c1ccccc1NC(=O)C(=O)NCCCN1CCOCC1 ZINC000408707446 527727367 /nfs/dbraw/zinc/72/73/67/527727367.db2.gz BDNRPWYKJZSRNE-UHFFFAOYSA-N 0 0 376.457 0.602 40 0 GCABRN CC(C)NS(=O)(=O)c1ccc(CCC(=O)NCCN2CCOCC2)cc1 ZINC000408587432 527757419 /nfs/dbraw/zinc/75/74/19/527757419.db2.gz BVTFWYRLPMWRMD-UHFFFAOYSA-N 0 0 383.514 0.754 40 0 GCABRN CCOC(=O)COc1ccc(/C=C2/NC(=O)N(CC(=O)OC)C2=O)cc1OC ZINC000408548897 528841710 /nfs/dbraw/zinc/84/17/10/528841710.db2.gz NAKNEEYHOAJFJU-KPKJPENVSA-N 0 0 392.364 0.703 40 0 GCABRN CC[C@H](C)NS(=O)(=O)c1ccc(OCC(=O)N2CCC(C(N)=O)CC2)cc1 ZINC000409201635 529181428 /nfs/dbraw/zinc/18/14/28/529181428.db2.gz WXHMJJWZBLKUEL-ZDUSSCGKSA-N 0 0 397.497 0.866 40 0 GCABRN O=C(c1cccnc1)N1CC2(C1)CN(C(=O)c1ccccc1)C[C@@H]1C[C@@H](O)CN12 ZINC000514290413 560029683 /nfs/dbraw/zinc/02/96/83/560029683.db2.gz YOKAONLISTXYRN-RBUKOAKNSA-N 0 0 392.459 0.867 40 0 biogenic,in-vitro GCABRN O=C(c1cccnc1)N1C[C@H]2C[C@@H](O)CN2C2(CN(Cc3ccccn3)C2)C1 ZINC000514290324 560029892 /nfs/dbraw/zinc/02/98/92/560029892.db2.gz XHNIFLRUFIHCSD-RTBURBONSA-N 0 0 379.464 0.622 40 0 biogenic,in-vitro GCABRN C[C@@]1(CO)CN(C(=O)c2ccc(Cl)cc2)C[C@@H]2CN(C3COC3)CCN21 ZINC000514289287 560032787 /nfs/dbraw/zinc/03/27/87/560032787.db2.gz KVMQXYOGGMKWJL-LPHOPBHVSA-N 0 0 379.888 0.932 40 0 biogenic,in-vitro GCABRN Cn1ccnc1CN1C[C@H]2CN(S(=O)(=O)Cc3ccccc3)CCN2C1=O ZINC000096269104 560054101 /nfs/dbraw/zinc/05/41/01/560054101.db2.gz PRKOYKRPLCIBQZ-INIZCTEOSA-N 0 0 389.481 0.872 40 0 biogenic,in-vitro GCABRN CC(C)NC(=O)Nc1ccc([C@H]2OCC(=O)N(CC(=O)N(C)C)[C@@H]2CO)cc1 ZINC000072321297 560076523 /nfs/dbraw/zinc/07/65/23/560076523.db2.gz WLIZQSVBKJYXST-CRAIPNDOSA-N 0 0 392.456 0.566 40 0 biogenic,in-vitro GCABRN COCC(=O)Nc1ccc([C@H]2OCC(=O)N(C3CCOCC3)[C@@H]2CO)cc1 ZINC000072321533 560077504 /nfs/dbraw/zinc/07/75/04/560077504.db2.gz BBFHFNGSAUEOSO-VQIMIIECSA-N 0 0 378.425 0.711 40 0 biogenic,in-vitro GCABRN O=C(CN1C(=O)c2ccccc2C1=O)[C@H](O)CN1C(=O)c2ccccc2C1=O ZINC000006576052 560206232 /nfs/dbraw/zinc/20/62/32/560206232.db2.gz ZJZYQKKDHFXIAM-OAHLLOKOSA-N 0 0 378.340 0.509 40 0 in-vitro GCABRN O=C(Cn1cccn1)N1CCO[C@H](C(=O)N2CCN(c3ccccc3)CC2)C1 ZINC000019747339 570214023 /nfs/dbraw/zinc/21/40/23/570214023.db2.gz YEYYNTWUPSMKOS-SFHVURJKSA-N 0 0 383.452 0.459 40 0 GCABRN O=C(NCC1CC1)[C@H]1Cn2ccnc2C2(CCN(C(=O)[C@H]3CCOC3)CC2)O1 ZINC000096243630 570223109 /nfs/dbraw/zinc/22/31/09/570223109.db2.gz BYKCFCQIORGIMW-JKSUJKDBSA-N 0 0 388.468 0.662 40 0 GCABRN CCOC(=O)N1CCN(C(=O)c2ccc(N(C)S(=O)(=O)N(C)C)cc2)CC1 ZINC000020245583 570249777 /nfs/dbraw/zinc/24/97/77/570249777.db2.gz JGLPCJHKNVUZCG-UHFFFAOYSA-N 0 0 398.485 0.844 40 0 GCABRN NC(=O)C[C@]1(COc2ccc(Cl)cc2)CN(C(=O)Cn2cncn2)CCO1 ZINC000585282758 570250854 /nfs/dbraw/zinc/25/08/54/570250854.db2.gz AIVCEWKARSTGAZ-QGZVFWFLSA-N 0 0 393.831 0.484 40 0 GCABRN NC(=O)C[C@@]1(COc2ccc(F)cc2)CN(C(=O)c2nccnc2N)CCO1 ZINC000585282989 570251489 /nfs/dbraw/zinc/25/14/89/570251489.db2.gz LJPWWZXNQXPGGM-SFHVURJKSA-N 0 0 389.387 0.364 40 0 GCABRN CC(=O)N1CC[N@H+](CC2(O)CCN(c3ccccc3)CC2)C[C@H](C(=O)[O-])C1 ZINC000585284452 570253433 /nfs/dbraw/zinc/25/34/33/570253433.db2.gz SJWFNXLKUWSKIY-KRWDZBQOSA-N 0 0 375.469 0.883 40 0 GCABRN [NH3+][C@@H](CC(=O)[O-])C(=O)N1CCC[C@@]2(C[C@@H](O)[C@H](c3ccccc3)NC2=O)C1 ZINC000585285373 570254969 /nfs/dbraw/zinc/25/49/69/570254969.db2.gz OUPMGVCEVMOLAZ-QMYADUOMSA-N 0 0 375.425 0.019 40 0 GCABRN Cn1cc(/C=C/C(=O)N2C[C@H](O)[C@H](O)C[C@@]3(C)[C@H]2CCCC(=O)N3C)cn1 ZINC000585289823 570257879 /nfs/dbraw/zinc/25/78/79/570257879.db2.gz KHOVOLZLKKWPOB-IPPHNGGJSA-N 0 0 376.457 0.157 40 0 GCABRN COc1ccc([C@@H]2N(NC(=O)c3ccncc3)C(=O)CS2(=O)=O)cc1F ZINC000001617814 570266112 /nfs/dbraw/zinc/26/61/12/570266112.db2.gz TUSBLEDSMUAGJR-MRXNPFEDSA-N 0 0 379.369 0.830 40 0 GCABRN Nc1nc(N2CCOCC2)nc2c1[C@H](C(=O)NCc1ccccc1)CC(=O)N2 ZINC000020674077 570274761 /nfs/dbraw/zinc/27/47/61/570274761.db2.gz HLRGGGNXVRQUBN-CYBMUJFWSA-N 0 0 382.424 0.638 40 0 GCABRN O=C(CCN1C(=O)c2ccccc2S1(=O)=O)NCCCN1CCOCC1 ZINC000020742507 570278735 /nfs/dbraw/zinc/27/87/35/570278735.db2.gz NGINUXFTHZXVRI-UHFFFAOYSA-N 0 0 381.454 0.060 40 0 GCABRN Cc1cccc(NC(=O)[C@@H]2CC(=O)Nc3nc(N4CCOCC4)[nH]c(=O)c32)c1 ZINC000020800146 570281424 /nfs/dbraw/zinc/28/14/24/570281424.db2.gz QTEADDJOEWOOJO-CYBMUJFWSA-N 0 0 383.408 0.979 40 0 GCABRN O=CN1CCN(C(=O)c2ccc(CS(=O)(=O)N3CCCCC3)cc2)CC1 ZINC000022520141 570319945 /nfs/dbraw/zinc/31/99/45/570319945.db2.gz KVSKWJSETFKHCO-UHFFFAOYSA-N 0 0 379.482 0.917 40 0 GCABRN O=C(c1ccccc1F)N1C[C@@H]2COCCN2C2(CN(Cc3c[nH]cn3)C2)C1 ZINC000604381931 570352979 /nfs/dbraw/zinc/35/29/79/570352979.db2.gz VTXUZORLHOLIKV-MRXNPFEDSA-N 0 0 385.443 0.960 40 0 biogenic,in-vitro GCABRN Cc1cccc(N([C@H](C)C(=O)NCCCN2CCOCC2)S(C)(=O)=O)c1 ZINC000220138246 570382528 /nfs/dbraw/zinc/38/25/28/570382528.db2.gz FTMPUAGYZDTZNC-MRXNPFEDSA-N 0 0 383.514 0.988 40 0 GCABRN COc1cccc(N([C@@H](C)C(=O)NCCCN2CCOCC2)S(C)(=O)=O)c1 ZINC000220175275 570383404 /nfs/dbraw/zinc/38/34/04/570383404.db2.gz MFYPWRAPRXFAOC-HNNXBMFYSA-N 0 0 399.513 0.688 40 0 GCABRN Cc1ccccc1N(CCCC(=O)NCCN1CCOCC1)S(C)(=O)=O ZINC000222558085 570414453 /nfs/dbraw/zinc/41/44/53/570414453.db2.gz NQLJEWCUHWDYSM-UHFFFAOYSA-N 0 0 383.514 0.990 40 0 GCABRN CCS[C@@H]1O[C@@H]([C@@H](COC(C)=O)OC(C)=O)[C@@H](OC(C)=O)[C@H]1NC(C)=O ZINC000004963018 570420068 /nfs/dbraw/zinc/42/00/68/570420068.db2.gz SZULVJAZHGQZQY-OWYFMNJBSA-N 0 0 391.442 0.396 40 0 GCABRN COc1ccc(-n2c(=O)[nH]c(C(=O)[O-])c(C[NH+]3CCCC3)c2=O)c(OC)c1 ZINC000222673525 570419869 /nfs/dbraw/zinc/41/98/69/570419869.db2.gz AASNDDZIKRCSER-UHFFFAOYSA-N 0 0 375.381 0.837 40 0 GCABRN CO[C@@H]1[C@@H](COC(C)=O)O[C@@H](n2cnc3c2nc[nH]c3=S)[C@H]1OC(C)=O ZINC000004963115 570420148 /nfs/dbraw/zinc/42/01/48/570420148.db2.gz WXKATFNIWVHVSU-ADGXKJENSA-N 0 0 382.398 0.896 40 0 GCABRN COC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)OCc1ccccc1 ZINC000004994465 570422372 /nfs/dbraw/zinc/42/23/72/570422372.db2.gz HUBNAZBHTDOFGE-GJZGRUSLSA-N 0 0 393.440 0.861 40 0 GCABRN CCOc1ccc(NC(=O)C(=O)NCc2ccc(S(N)(=O)=O)cc2)cc1 ZINC000038718115 570427553 /nfs/dbraw/zinc/42/75/53/570427553.db2.gz JLTZOEDNZTUJJN-UHFFFAOYSA-N 0 0 377.422 0.988 40 0 GCABRN CNS(=O)(=O)c1cc(C(=O)Nc2ccc(CC(N)=O)cc2)ccc1OC ZINC000222903088 570430746 /nfs/dbraw/zinc/43/07/46/570430746.db2.gz KBFDHCFTLCSQPX-UHFFFAOYSA-N 0 0 377.422 0.883 40 0 GCABRN O=C(CSc1nc2ccccc2nc1SCC(=O)NCCO)NCCO ZINC000005949148 570462560 /nfs/dbraw/zinc/46/25/60/570462560.db2.gz SQDAWUNSCTYTPS-UHFFFAOYSA-N 0 0 396.494 0.031 40 0 GCABRN CCCc1onc(C)c1C(=O)N1CC2(C1)CN(CC1CC1)[C@@H](C(=O)NC)CO2 ZINC000575404353 570520580 /nfs/dbraw/zinc/52/05/80/570520580.db2.gz LPWUIUAVTOUUPB-OAHLLOKOSA-N 0 0 390.484 0.987 40 0 GCABRN COCCn1ccc(C(=O)N2CC3(C2)CC[C@@H](CN2CCCC2=O)CO3)n1 ZINC000575405037 570521183 /nfs/dbraw/zinc/52/11/83/570521183.db2.gz QQBIKVZEEBBEKH-HNNXBMFYSA-N 0 0 376.457 0.773 40 0 GCABRN O=C(NC[C@@H]1CO[C@@H]2CN(C(=O)c3n[nH]c4c3CCC4)C[C@H]12)c1cccnc1 ZINC000575406229 570522204 /nfs/dbraw/zinc/52/22/04/570522204.db2.gz WEDBMJBEALTOAP-FRFSOERESA-N 0 0 381.436 0.810 40 0 GCABRN C[C@@H]1C[C@H]1C(=O)N1CC2(C1)CN(CC1CC1)[C@@H](C(=O)N1CCCCO1)CO2 ZINC000575406460 570522326 /nfs/dbraw/zinc/52/23/26/570522326.db2.gz YAEROBXTXDGXNP-DJIMGWMZSA-N 0 0 377.485 0.888 40 0 GCABRN CS(=O)(=O)N1CCC(C(=O)NCc2cccc(CN3CCOCC3)c2)CC1 ZINC000224750958 570529180 /nfs/dbraw/zinc/52/91/80/570529180.db2.gz CNDFZKMFNSLXBF-UHFFFAOYSA-N 0 0 395.525 0.807 40 0 GCABRN COc1ccc(C(=O)N2CCC(C(N)=O)CC2)cc1S(=O)(=O)NC(C)C ZINC000008475927 570532402 /nfs/dbraw/zinc/53/24/02/570532402.db2.gz VVUKXDBHCCPJDT-UHFFFAOYSA-N 0 0 383.470 0.719 40 0 GCABRN CNC(=O)CSc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccc(C)cc1 ZINC000000930487 570540621 /nfs/dbraw/zinc/54/06/21/570540621.db2.gz LPORNARJUMIIRW-UHFFFAOYSA-N 0 0 387.465 0.629 40 0 GCABRN CN1[C@@H](C(=O)NCCCn2ccnc2)C[C@@H](c2ccc(F)cc2)NS1(=O)=O ZINC000012087357 570606344 /nfs/dbraw/zinc/60/63/44/570606344.db2.gz IRAWLBKUGDUHKA-JKSUJKDBSA-N 0 0 395.460 0.808 40 0 GCABRN COc1ccc(NC(=O)[C@H]2C[C@@H](c3cn(C)nc3C)NS(=O)(=O)N2C)cc1 ZINC000012131366 570613572 /nfs/dbraw/zinc/61/35/72/570613572.db2.gz YKUKRFDVQPRONU-JKSUJKDBSA-N 0 0 393.469 0.955 40 0 GCABRN CCCn1c(SCC(=O)Nc2cc(C)on2)nc2c1c(=O)n(C)c(=O)n2C ZINC000004103319 570618941 /nfs/dbraw/zinc/61/89/41/570618941.db2.gz NFLRGTQMUJLXAW-UHFFFAOYSA-N 0 0 392.441 0.871 40 0 GCABRN CCOC(=O)C1CCN(S(=O)(=O)c2ccc(-n3cnnn3)c(C)c2)CC1 ZINC000004216489 570623421 /nfs/dbraw/zinc/62/34/21/570623421.db2.gz XBABLFRUKSAOAW-UHFFFAOYSA-N 0 0 379.442 0.935 40 0 GCABRN CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C)C(=O)N[C@@H](C)C(N)=O ZINC000004355596 570627533 /nfs/dbraw/zinc/62/75/33/570627533.db2.gz ORPWHDPCKJWVIC-AVGNSLFASA-N 0 0 384.477 0.517 40 0 GCABRN COC(=O)C1CCN(C(=O)c2ccc(N(C)S(=O)(=O)N(C)C)cc2)CC1 ZINC000044844499 570634959 /nfs/dbraw/zinc/63/49/59/570634959.db2.gz IDSQDNFTIFWXGG-UHFFFAOYSA-N 0 0 383.470 0.954 40 0 GCABRN COC(=O)C1CCN(C(=O)[C@@H]2CN(S(C)(=O)=O)c3cc(C)ccc3O2)CC1 ZINC000044914703 570642865 /nfs/dbraw/zinc/64/28/65/570642865.db2.gz RLMHMSCJSQIHKL-INIZCTEOSA-N 0 0 396.465 0.934 40 0 GCABRN COc1ccc(-c2cc3nc(CCNC(=O)[C@@H]4CC(=O)N(C)C4)nn3cn2)cc1 ZINC000012326199 570643220 /nfs/dbraw/zinc/64/32/20/570643220.db2.gz XZOJXHVEWMLVMR-CQSZACIVSA-N 0 0 394.435 0.937 40 0 GCABRN COCCN1C[C@@H](C(=O)N2CC[C@@H](c3cc(=O)[nH]c(N(C)C)n3)C2)CC1=O ZINC000012367358 570647153 /nfs/dbraw/zinc/64/71/53/570647153.db2.gz XXCYVMFGKZMHGO-OLZOCXBDSA-N 0 0 377.445 0.059 40 0 GCABRN COCCN1C[C@H](C(=O)N2CC[C@@H](c3cc(=O)[nH]c(N(C)C)n3)C2)CC1=O ZINC000012367363 570647313 /nfs/dbraw/zinc/64/73/13/570647313.db2.gz XXCYVMFGKZMHGO-CHWSQXEVSA-N 0 0 377.445 0.059 40 0 GCABRN COC(=O)CNC(=O)Cn1c2ccccc2c(=O)n(CCc2ccccc2)c1=O ZINC000005000041 570651098 /nfs/dbraw/zinc/65/10/98/570651098.db2.gz JZPBMAWYGZJOIC-UHFFFAOYSA-N 0 0 395.415 0.695 40 0 GCABRN COc1ccc(NC(=O)CN2C(=O)[C@@H]3[C@@H]4CC[C@@H](C4)[C@@H]3C2=O)cc1-n1cnnn1 ZINC000005000493 570651442 /nfs/dbraw/zinc/65/14/42/570651442.db2.gz YJECRINUJGJUGE-QFBVAWSSSA-N 0 0 396.407 0.641 40 0 GCABRN COc1ccc(NC(=O)CN2C(=O)[C@H]3[C@@H]4CC[C@@H](C4)[C@@H]3C2=O)cc1-n1cnnn1 ZINC000005000494 570651454 /nfs/dbraw/zinc/65/14/54/570651454.db2.gz YJECRINUJGJUGE-YNHQPCIGSA-N 0 0 396.407 0.641 40 0 GCABRN CCNC(=S)N1CCN(CCNC(=O)C(=O)Nc2ccc(C)cc2)CC1 ZINC000059483673 570657710 /nfs/dbraw/zinc/65/77/10/570657710.db2.gz WLIOSPGFSLNVHQ-UHFFFAOYSA-N 0 0 377.514 0.562 40 0 GCABRN CCNC(=S)N1CCN(CCNC(=O)C(=O)Nc2ccc(CC)cc2)CC1 ZINC000059483683 570657920 /nfs/dbraw/zinc/65/79/20/570657920.db2.gz GIGJQLKABQQEIW-UHFFFAOYSA-N 0 0 391.541 0.816 40 0 GCABRN COC(=O)CNC(=O)Cn1c2ccsc2c(=O)n(Cc2ccco2)c1=O ZINC000006678793 570673235 /nfs/dbraw/zinc/67/32/35/570673235.db2.gz VZECIHKANHILCS-UHFFFAOYSA-N 0 0 377.378 0.155 40 0 GCABRN CO[C@@H]1O[C@@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC)[C@@H]1NC(=O)c1ccccc1 ZINC000004531124 570728585 /nfs/dbraw/zinc/72/85/85/570728585.db2.gz KXCZDMXWZFGETJ-YTGMWSOZSA-N 0 0 395.408 0.666 40 0 GCABRN CO[C@@H]1O[C@@H](COC(C)=O)[C@H](OC(C)=O)[C@@H](OC)[C@@H]1NC(=O)c1ccccc1 ZINC000005900326 570736243 /nfs/dbraw/zinc/73/62/43/570736243.db2.gz KXCZDMXWZFGETJ-BRFLTPSNSA-N 0 0 395.408 0.666 40 0 GCABRN CCc1nnc(NC(=O)CSc2nc3c(c(=O)n(C)c(=O)n3C)n2C)s1 ZINC000006198383 570738981 /nfs/dbraw/zinc/73/89/81/570738981.db2.gz SSAANBTXORHZQH-UHFFFAOYSA-N 0 0 395.470 0.115 40 0 GCABRN O=C(NCCc1cc2nc(-c3ccncc3)ccn2n1)[C@@H]1CCS(=O)(=O)C1 ZINC000013268265 570752162 /nfs/dbraw/zinc/75/21/62/570752162.db2.gz URTSDFJZMXWIJE-CQSZACIVSA-N 0 0 385.449 0.885 40 0 GCABRN CCOC(=O)N1CCN(C(=O)CNS(=O)(=O)c2ccc(OC)cc2)CC1 ZINC000006955514 570753518 /nfs/dbraw/zinc/75/35/18/570753518.db2.gz FLQXKLNZRGXDNU-UHFFFAOYSA-N 0 0 385.442 0.274 40 0 GCABRN CS(=O)(=O)N(CCCC(=O)N1CCN(C=O)CC1)c1ccc2c(c1)OCO2 ZINC000013596092 570853351 /nfs/dbraw/zinc/85/33/51/570853351.db2.gz SXDYQFSQTJVHBB-UHFFFAOYSA-N 0 0 397.453 0.262 40 0 GCABRN COCCn1ccc(C(=O)N2C[C@H]3OC[C@@H](CNC(=O)c4ccncc4)[C@H]3C2)n1 ZINC000585094078 570921713 /nfs/dbraw/zinc/92/17/13/570921713.db2.gz BHCVMLMZJFDPME-JFIYKMOQSA-N 0 0 399.451 0.442 40 0 GCABRN Cc1cnc(C(=O)N2Cc3cccn3C[C@H](CCNS(C)(=O)=O)C2)cn1 ZINC000585095285 570921779 /nfs/dbraw/zinc/92/17/79/570921779.db2.gz NMJFQSISEPEOQO-AWEZNQCLSA-N 0 0 377.470 0.798 40 0 GCABRN Cc1noc(CC(=O)N2CCC[C@@]3(CC(C(=O)NCc4cccnc4)=NO3)C2)n1 ZINC000585101308 570926851 /nfs/dbraw/zinc/92/68/51/570926851.db2.gz XDZGVUXQGZAWGS-LJQANCHMSA-N 0 0 398.423 0.769 40 0 GCABRN CC[C@H](NC(=O)CN1C(=O)N[C@@H]2[C@@H]1N(C)C(=O)N2C)c1ccc(OC)cc1 ZINC000019500488 570926922 /nfs/dbraw/zinc/92/69/22/570926922.db2.gz DOTZIJGHDXNKEW-CWRNSKLLSA-N 0 0 375.429 0.937 40 0 GCABRN COCCn1nccc1C(=O)N1CCC[C@@]2(CCN2CC(=O)N2CCCC2)C1 ZINC000585102130 570927999 /nfs/dbraw/zinc/92/79/99/570927999.db2.gz SSPCRZZETHJTTJ-HXUWFJFHSA-N 0 0 389.500 0.832 40 0 GCABRN CCNS(=O)(=O)c1cc(C(=O)NCCCN2CCOCC2)ccc1OC ZINC000016681791 570930765 /nfs/dbraw/zinc/93/07/65/570930765.db2.gz AYMATEJLJWTIHL-UHFFFAOYSA-N 0 0 385.486 0.446 40 0 GCABRN Cc1snnc1C(=O)N1C[C@@H]2C[C@@H](CC(=O)N3CCN(C)CC3)O[C@@H]2C1 ZINC000585109494 570937457 /nfs/dbraw/zinc/93/74/57/570937457.db2.gz UKMNCGQXYZYTDV-MELADBBJSA-N 0 0 379.486 0.240 40 0 GCABRN CC(C)NC(=O)c1nnc2n1CCN1CCN(C(=O)c3ccnc(F)c3)C[C@@H]21 ZINC000585109883 570938623 /nfs/dbraw/zinc/93/86/23/570938623.db2.gz FXTOFPOAORVOKG-ZDUSSCGKSA-N 0 0 387.419 0.463 40 0 GCABRN O=C(NC1CCC1)c1nnc2n1CCN1CCN(C(=O)c3ccnc(F)c3)C[C@H]21 ZINC000585109935 570938760 /nfs/dbraw/zinc/93/87/60/570938760.db2.gz PHQBTHDWPIDLCU-CQSZACIVSA-N 0 0 399.430 0.607 40 0 GCABRN CCOC(=O)c1cc(NC(=O)C[C@H]2NCCNC2=O)cc(C(=O)OCC)c1 ZINC000017077172 570938904 /nfs/dbraw/zinc/93/89/04/570938904.db2.gz DOEZDWNHDWDHAM-CQSZACIVSA-N 0 0 377.397 0.457 40 0 GCABRN Cn1cc(-c2ccc3c(c2)[C@@H]2CN(C(=O)C4CC(O)C4)C[C@@H]2S3(=O)=O)cn1 ZINC000585110048 570939194 /nfs/dbraw/zinc/93/91/94/570939194.db2.gz BKHMXIHQQVNVQU-DGHFUHBMSA-N 0 0 387.461 0.940 40 0 GCABRN Cn1cc(C(=O)NCc2cc(=O)n3c(n2)CN(C(=O)C2(F)CC2)CCC3)cn1 ZINC000585110991 570944521 /nfs/dbraw/zinc/94/45/21/570944521.db2.gz OYULWBYFVKOBKV-UHFFFAOYSA-N 0 0 388.403 0.141 40 0 GCABRN COc1ccc(N2C[C@@H](C(=O)N3CCN(CC(=O)N(C)C)CC3)CC2=O)cc1 ZINC000019581229 571013059 /nfs/dbraw/zinc/01/30/59/571013059.db2.gz CWAZSBFHDBCGKL-HNNXBMFYSA-N 0 0 388.468 0.281 40 0 GCABRN CC(C)N1CCNC(=O)[C@H]1CC(=O)Nc1cccc(C(=O)N2CCOCC2)c1 ZINC000019657172 571023873 /nfs/dbraw/zinc/02/38/73/571023873.db2.gz AKWARCLYEIBACF-QGZVFWFLSA-N 0 0 388.468 0.696 40 0 GCABRN CC(=O)N1CCc2nnc(C3CCN(CC(=O)N4CCCCC4)CC3)n2CC1 ZINC000019708965 571033297 /nfs/dbraw/zinc/03/32/97/571033297.db2.gz IOBKWNHKKUKJNJ-UHFFFAOYSA-N 0 0 388.516 0.875 40 0 GCABRN CNc1nc([C@H]2CCCN(C(=O)C(C)(C)O)C2)nc2c1CN(C(C)=O)CC2 ZINC000019711441 571035529 /nfs/dbraw/zinc/03/55/29/571035529.db2.gz PPBQDSFDFLNYCX-ZDUSSCGKSA-N 0 0 375.473 0.900 40 0 GCABRN CN(C)S(=O)(=O)NCC(=O)N1CCN(c2ccccc2C(F)(F)F)CC1 ZINC000019716772 571038699 /nfs/dbraw/zinc/03/86/99/571038699.db2.gz UEDORUMBFWTDFE-UHFFFAOYSA-N 0 0 394.419 0.750 40 0 GCABRN CCN1CC[C@]2(CN(C(=O)N(C)C)CC23CCN(C(=O)COC)CC3)C1=O ZINC000096036610 571096652 /nfs/dbraw/zinc/09/66/52/571096652.db2.gz HEQYRQGGTVEAMX-IBGZPJMESA-N 0 0 380.489 0.477 40 0 GCABRN Cc1cc(CN2c3ccnn3C3(CCN(S(C)(=O)=O)CC3)CC2=O)no1 ZINC001772596504 1187058770 /nfs/dbraw/zinc/05/87/70/1187058770.db2.gz NJNNBTJICDQARS-UHFFFAOYSA-N 0 0 379.442 0.867 40 0 GCABRN CC(=O)N[C@H]1[C@@H](OC(C)=O)[C@H](O)[C@H](CO)O[C@H]1Oc1ccc2ccccc2c1 ZINC000216307880 1199953730 /nfs/dbraw/zinc/95/37/30/1199953730.db2.gz FRTSLPFLUVGQPA-CENDIDJXSA-N 0 0 389.404 0.733 40 0 GCABRN CCn1ncc(CNC(=O)NC[C@H]2CCN(S(=O)(=O)c3cccs3)C2)n1 ZINC000527926692 1201787504 /nfs/dbraw/zinc/78/75/04/1201787504.db2.gz FMMNFBAGKCFUFM-GFCCVEGCSA-N 0 0 398.514 0.870 40 0 GCABRN Cc1c(S(=O)(=O)NCCS(=O)(=O)N2CCCCC2)cnn1C(F)F ZINC000019553110 210260917 /nfs/dbraw/zinc/26/09/17/210260917.db2.gz XJYVRSFMNDRBPY-UHFFFAOYSA-N 0 0 386.446 0.681 40 0 GCABRN CCN1C[C@@H](C(=O)N2CC[C@H](c3ncc4c(n3)CCN(C(C)=O)C4)C2)CC1=O ZINC000019526861 210257091 /nfs/dbraw/zinc/25/70/91/210257091.db2.gz IHWZIDVXLFRRMK-GJZGRUSLSA-N 0 0 385.468 0.566 40 0 GCABRN CCn1cc(CN2CCN(C(=O)CN3C(=O)NC(C)(C)C3=O)CC2)c(C)n1 ZINC000019524569 210256733 /nfs/dbraw/zinc/25/67/33/210256733.db2.gz QEKVTAMAHMFJOQ-UHFFFAOYSA-N 0 0 376.461 0.186 40 0 GCABRN CCN1C[C@@H](C(=O)N2CC[C@@H](c3ncc4c(n3)CCN(C(C)=O)C4)C2)CC1=O ZINC000019526859 210256097 /nfs/dbraw/zinc/25/60/97/210256097.db2.gz IHWZIDVXLFRRMK-CABCVRRESA-N 0 0 385.468 0.566 40 0 GCABRN C[C@H](Oc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1)C(=O)N1CCOCC1 ZINC000408613142 231080406 /nfs/dbraw/zinc/08/04/06/231080406.db2.gz ZZAXGCDOIVPYEP-HNNXBMFYSA-N 0 0 397.497 0.249 40 0 GCABRN COCCNS(=O)(=O)c1ccc(OCC(=O)NCCCn2ccnc2)cc1 ZINC000408604271 231076232 /nfs/dbraw/zinc/07/62/32/231076232.db2.gz LQNNTWQBKFZJTE-UHFFFAOYSA-N 0 0 396.469 0.393 40 0 GCABRN C[C@H](C(=O)NC[C@@H]1CCCO1)N(c1ccc2c(c1)OCCO2)S(C)(=O)=O ZINC000408704615 231099450 /nfs/dbraw/zinc/09/94/50/231099450.db2.gz QOJULVVEMVXUMF-OCCSQVGLSA-N 0 0 384.454 0.908 40 0 GCABRN O=C(NCCCO)C(=O)Nc1ccccc1C(=O)NCc1ccc2c(c1)OCO2 ZINC000408709496 231101919 /nfs/dbraw/zinc/10/19/19/231101919.db2.gz BTOVLAITVORPEZ-UHFFFAOYSA-N 0 0 399.403 0.782 40 0 GCABRN COc1cccc([C@@H](NC(=O)c2cc(=O)n(C)c(=O)n2C)c2nccn2C)c1 ZINC000019291226 210238087 /nfs/dbraw/zinc/23/80/87/210238087.db2.gz FELHQOCHSBITOZ-MRXNPFEDSA-N 0 0 383.408 0.346 40 0 GCABRN Cc1ccc2c(c1)C(=O)NCC1(CCN(C(=O)[C@@H]3CCS(=O)(=O)C3)CC1)O2 ZINC000019219101 210230736 /nfs/dbraw/zinc/23/07/36/210230736.db2.gz KGFAFHQTOKGVGV-CQSZACIVSA-N 0 0 392.477 0.913 40 0 GCABRN CC(=O)N1CCc2nc(C3CCN(C(=O)C4=NNC(=O)CC4)CC3)ncc2C1 ZINC000019018780 210222407 /nfs/dbraw/zinc/22/24/07/210222407.db2.gz RJVPUNMUPNDTRO-UHFFFAOYSA-N 0 0 384.440 0.353 40 0 GCABRN CCOC(=O)c1ccc(S(=O)(=O)NCCCc2c(C)nc(N)[nH]c2=O)cc1 ZINC000017039757 210200781 /nfs/dbraw/zinc/20/07/81/210200781.db2.gz HEWCTVNARQXXDF-UHFFFAOYSA-N 0 0 394.453 0.748 40 0 GCABRN CNC(=O)[C@H]1C(=O)C[C@@](C)(O)[C@@H](C(=O)NC)[C@H]1c1ccc(Br)cc1 ZINC000036556745 530173019 /nfs/dbraw/zinc/17/30/19/530173019.db2.gz VVHUDXYAOJMQET-SZOQZIPDSA-N 0 0 397.269 0.981 40 0 GCABRN COC[C@H]1CC2(CN1S(C)(=O)=O)CCN(C(=O)c1nnsc1C)CC2 ZINC000585103417 530222954 /nfs/dbraw/zinc/22/29/54/530222954.db2.gz FKSMRUCAHGJZND-GFCCVEGCSA-N 0 0 388.515 0.749 40 0 GCABRN O=S(=O)(N[C@H]1CO[C@@H](CN2CCC(F)(F)CC2)[C@@H]1O)c1cccs1 ZINC000514288737 530270944 /nfs/dbraw/zinc/27/09/44/530270944.db2.gz AYAFGYJZMPJMIB-GMXVVIOVSA-N 0 0 382.454 0.886 40 0 biogenic,in-vitro GCABRN CCOC(=O)C1CCN(S(=O)(=O)c2nnc(NC(=O)CC)s2)CC1 ZINC000223852208 530504548 /nfs/dbraw/zinc/50/45/48/530504548.db2.gz KXWDXOCJTBXIAA-UHFFFAOYSA-N 0 0 376.460 0.850 40 0 GCABRN CN(c1cc(C(=O)NCCN2CCOCC2)ccc1Cl)S(C)(=O)=O ZINC000225974798 530508399 /nfs/dbraw/zinc/50/83/99/530508399.db2.gz PFRGIQZSMJUEOY-UHFFFAOYSA-N 0 0 375.878 0.798 40 0 GCABRN Cc1nc(SCCNC(=O)Cc2ccc(N(C)S(C)(=O)=O)cc2)n[nH]1 ZINC000225975172 530508507 /nfs/dbraw/zinc/50/85/07/530508507.db2.gz HOHUWZJUABLDSZ-UHFFFAOYSA-N 0 0 383.499 0.960 40 0 GCABRN COc1ccc(S(=O)(=O)N(C)[C@@]2(C)CCS(=O)(=O)C2)cc1NC(C)=O ZINC000575426764 530690082 /nfs/dbraw/zinc/69/00/82/530690082.db2.gz ZKXLDDMHQNVAHX-HNNXBMFYSA-N 0 0 390.483 0.851 40 0 GCABRN O=C1CN([C@H]2CCS(=O)(=O)C2)c2ccccc2N1[C@@H]1CCS(=O)(=O)C1 ZINC000217342244 530936670 /nfs/dbraw/zinc/93/66/70/530936670.db2.gz ZKEJCZHFVAOYCE-QWHCGFSZSA-N 0 0 384.479 0.214 40 0 GCABRN CS(=O)(=O)N(CC(=O)NCCN1CCOCC1)Cc1ccc(Cl)cc1 ZINC000243048793 530999306 /nfs/dbraw/zinc/99/93/06/530999306.db2.gz IDRHUAMYASYQRX-UHFFFAOYSA-N 0 0 389.905 0.550 40 0 GCABRN Cn1nnc(NC(=S)NC(=O)c2ccc(I)cc2)n1 ZINC000408628181 531053382 /nfs/dbraw/zinc/05/33/82/531053382.db2.gz QIOZIESXLXYUCN-UHFFFAOYSA-N 0 0 388.194 0.942 40 0 GCABRN Cc1nnc(C)n1N1Cn2c3ccccc3nc2N(CCN2CCOCC2)C1 ZINC000013637788 210074096 /nfs/dbraw/zinc/07/40/96/210074096.db2.gz MCGFNTQMOFTOSG-UHFFFAOYSA-N 0 0 382.472 0.950 40 0 GCABRN O=C(CCn1cncn1)N1CCC([C@H]2Nc3ccccc3S(=O)(=O)N2)CC1 ZINC000013267372 210055775 /nfs/dbraw/zinc/05/57/75/210055775.db2.gz CDMYXCJGUMZAFV-KRWDZBQOSA-N 0 0 390.469 0.637 40 0 GCABRN CS(=O)(=O)N1C[C@@H]2C[C@H](C1)c1ccc(NC(=O)c3cnccn3)c(=O)n1C2 ZINC000004236295 291101858 /nfs/dbraw/zinc/10/18/58/291101858.db2.gz HVZUDDFQDNYQBW-NWDGAFQWSA-N 0 0 389.437 0.269 40 0 biogenic,in-vitro GCABRN CCO[C@]1(COC(C)=O)O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000005732087 209613392 /nfs/dbraw/zinc/61/33/92/209613392.db2.gz DQHZSEKAVUOAPQ-XUWVNRHRSA-N 0 0 376.358 0.108 40 0 GCABRN COC(=O)[C@]1(CCSC)N[C@@H](c2ccc(O)cc2)[C@@H]2C(=O)N(C)C(=O)[C@H]21 ZINC000004884159 209539615 /nfs/dbraw/zinc/53/96/15/209539615.db2.gz NUBVHDVGVPFZKT-KHSSZTOVSA-N 0 0 378.450 0.932 40 0 GCABRN CCOC(=O)[C@@H]1CC(=O)N(c2ccccc2N2CCN(S(C)(=O)=O)CC2)C1 ZINC000057327848 209214015 /nfs/dbraw/zinc/21/40/15/209214015.db2.gz IVMIBAFZHNOINQ-CQSZACIVSA-N 0 0 395.481 0.684 40 0 GCABRN CC[C@H](C)NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(-n3cnnn3)cc2)C1 ZINC000004411427 209191061 /nfs/dbraw/zinc/19/10/61/209191061.db2.gz RUZMRLNEEMNAMP-UONOGXRCSA-N 0 0 392.485 0.978 40 0 GCABRN Cn1nccc1C(=O)N1C[C@@H]2Cn3cc(C(=O)NC4CCCC4)c(=O)nc3[C@@H]2C1 ZINC000306138729 212053375 /nfs/dbraw/zinc/05/33/75/212053375.db2.gz SFUJSIXXAHZLGO-GXTWGEPZSA-N 0 0 396.451 0.519 40 0 GCABRN COCCNC(=O)c1nnc2n1C[C@@H]1CN(C(=O)c3ccc(C)s3)C[C@@H]1C2 ZINC000306138846 212052885 /nfs/dbraw/zinc/05/28/85/212052885.db2.gz SJCPVYMTTPNHKK-STQMWFEESA-N 0 0 389.481 0.969 40 0 GCABRN Cn1cnc(S(=O)(=O)N2Cc3ccnn3C[C@H](Oc3ncccn3)C2)c1 ZINC000306134706 212050836 /nfs/dbraw/zinc/05/08/36/212050836.db2.gz NVSHMDPZSBPHHS-CYBMUJFWSA-N 0 0 375.414 0.059 40 0 GCABRN CC(=O)N1CCC2(CCn3cc(C(=O)NCCc4ccccn4)c(=O)nc32)CC1 ZINC000306129717 212047120 /nfs/dbraw/zinc/04/71/20/212047120.db2.gz IKWLJQUVTKDFIK-UHFFFAOYSA-N 0 0 395.463 0.895 40 0 GCABRN Cc1ccnc(OC[C@H]2CCS(=O)(=O)C23CN(C(=O)c2cnccn2)C3)n1 ZINC000306130898 212048765 /nfs/dbraw/zinc/04/87/65/212048765.db2.gz JSGLUIMYIKZHQR-CYBMUJFWSA-N 0 0 389.437 0.283 40 0 GCABRN CN(C)C(=O)N1CCC2(CC1)CN(C(=O)c1ccn(C)n1)Cc1cn(C)nc12 ZINC000306128737 212046172 /nfs/dbraw/zinc/04/61/72/212046172.db2.gz HJFMULZDLZSNPC-UHFFFAOYSA-N 0 0 385.472 0.825 40 0 GCABRN C[C@@H]1CN(c2ncc3c(n2)[C@]2(CCN(C(=O)c4nc[nH]n4)C2)COC3)C[C@@H](C)O1 ZINC000306123672 212045273 /nfs/dbraw/zinc/04/52/73/212045273.db2.gz ATMTXXKINRXRRW-VPZZIHKRSA-N 0 0 399.455 0.522 40 0 GCABRN CCS(=O)(=O)N1C[C@@H]2Cc3nnc(C(=O)NCc4ccccc4)n3C[C@@H]2C1 ZINC000306123657 212045092 /nfs/dbraw/zinc/04/50/92/212045092.db2.gz ATFZHZGFBXHLDE-GJZGRUSLSA-N 0 0 389.481 0.662 40 0 GCABRN CNC(=O)[C@@H]1CN(Cc2ccccc2)CCN1CC(=O)Nc1cc(C)n(C)n1 ZINC000257308065 212022896 /nfs/dbraw/zinc/02/28/96/212022896.db2.gz TVGYAQVKRVSTLA-KRWDZBQOSA-N 0 0 384.484 0.599 40 0 GCABRN CC(C)N1CCN(C(=O)CCCS(=O)(=O)c2ccccc2)C[C@H]1C(N)=O ZINC000257302332 212020846 /nfs/dbraw/zinc/02/08/46/212020846.db2.gz SCNAPBBCFWCZNC-INIZCTEOSA-N 0 0 381.498 0.647 40 0 GCABRN CCNC(=O)[C@H]1O[C@@H](n2cnc3c2ncnc3NCc2ccccc2)[C@@H](O)[C@H]1O ZINC000003874447 204020994 /nfs/dbraw/zinc/02/09/94/204020994.db2.gz VVHDYJFDZYHAMR-MMMWYMCRSA-N 0 0 398.423 0.194 40 0 in-vitro GCABRN OC[C@@H]1O[C@H](n2cnc3c2ncnc3SCc2ccccn2)[C@@H](O)[C@@H]1O ZINC000004823429 204079443 /nfs/dbraw/zinc/07/94/43/204079443.db2.gz MYLPTWRLZBDWTN-GXCBOPRBSA-N 0 0 375.410 0.125 40 0 GCABRN CCOC(=O)[C@@H](C)OC(=O)[C@H](C)OC(=O)[C@@H](C)OC(=O)[C@@H](C)OC(C)=O ZINC000004428337 204044053 /nfs/dbraw/zinc/04/40/53/204044053.db2.gz YDQFEYZKJCQJIE-CHWFTXMASA-N 0 0 376.358 0.296 40 0 GCABRN COCCC(=O)N1CCN(c2nc(N)c3cc(OC)c(OC)cc3n2)CC1 ZINC000004528871 204050972 /nfs/dbraw/zinc/05/09/72/204050972.db2.gz AHDHPRYJQVCUOL-UHFFFAOYSA-N 0 0 375.429 0.914 40 0 GCABRN Cn1c(=O)c2ccc([C@H]3CN(C(=O)c4ccc(F)cc4)CCO3)nc2n(C)c1=O ZINC000257286654 212018195 /nfs/dbraw/zinc/01/81/95/212018195.db2.gz PMKWWYUZCNKNQC-MRXNPFEDSA-N 0 0 398.394 0.985 40 0 GCABRN COc1ccc(S(=O)(=O)N(C)CC(=O)N2CCC(C(N)=O)CC2)cc1C ZINC000006202951 204170173 /nfs/dbraw/zinc/17/01/73/204170173.db2.gz VAUDVTGSZVTEIA-UHFFFAOYSA-N 0 0 383.470 0.348 40 0 GCABRN C[C@H](O)CNC(=O)CSc1nc2ccccc2n1CC(=O)NC[C@H](C)O ZINC000005387119 204129764 /nfs/dbraw/zinc/12/97/64/204129764.db2.gz RRKZMYXJSCTDTM-RYUDHWBXSA-N 0 0 380.470 0.122 40 0 GCABRN COc1ccc(NC(=O)[C@@H]2C[C@H](c3cn(C)nc3C)NS(=O)(=O)N2C)cc1 ZINC000012131369 204373620 /nfs/dbraw/zinc/37/36/20/204373620.db2.gz YKUKRFDVQPRONU-CVEARBPZSA-N 0 0 393.469 0.955 40 0 GCABRN COCCNC(=O)c1cn(C[C@@H]2CCCN(C(=O)c3oc(C)nc3C)C2)nn1 ZINC000012141959 204373816 /nfs/dbraw/zinc/37/38/16/204373816.db2.gz GGLKLUYHDJKNNK-CQSZACIVSA-N 0 0 390.444 0.812 40 0 GCABRN Cc1c([C@@H]2C[C@H](C(=O)Nc3cc(C)ccc3O)N(C)S(=O)(=O)N2)cnn1C ZINC000012130865 204374617 /nfs/dbraw/zinc/37/46/17/204374617.db2.gz PLTLZSUVCKJCSM-DZGCQCFKSA-N 0 0 393.469 0.961 40 0 GCABRN O=c1[nH]c2ccc(S(=O)(=O)N3CCC[C@H](CN4CCCC4=O)C3)cc2[nH]1 ZINC000012239357 204386147 /nfs/dbraw/zinc/38/61/47/204386147.db2.gz UNQZMYIRHRAXNY-GFCCVEGCSA-N 0 0 378.454 0.879 40 0 GCABRN C[C@]12C[C@H]3CN(S(=O)(=O)c4cccc(C(=O)[O-])c4)C[C@H](CC[C@@H]1[NH2+]3)[C@H]2O ZINC000257275695 212017088 /nfs/dbraw/zinc/01/70/88/212017088.db2.gz NQMPVRUQHSQKJO-RQFGQTSKSA-N 0 0 380.466 0.897 40 0 GCABRN CC(C)c1cc(C(=O)N2CCOC[C@@](O)(CNC(=O)c3ccccn3)C2)[nH]n1 ZINC000257282836 212015627 /nfs/dbraw/zinc/01/56/27/212015627.db2.gz OVMPCRWKNIZSRI-LJQANCHMSA-N 0 0 387.440 0.562 40 0 GCABRN O=S(=O)(N1CCOCC1)N1CCO[C@H](c2cccc(-c3cncnc3)n2)C1 ZINC000257240550 212009497 /nfs/dbraw/zinc/00/94/97/212009497.db2.gz HUBBLNJFNKWZAM-KRWDZBQOSA-N 0 0 391.453 0.489 40 0 GCABRN CNC(=O)[C@@H]1CN(C(=O)c2ccc(=O)n(C)c2)CCN1CCc1ccccc1 ZINC000257216972 212005677 /nfs/dbraw/zinc/00/56/77/212005677.db2.gz CWXRBMFWIOASIV-SFHVURJKSA-N 0 0 382.464 0.500 40 0 GCABRN CNC(=O)[C@H]1CN(C(=O)c2ccc(=O)n(C)c2)CCN1CCc1ccccc1 ZINC000257216971 212005686 /nfs/dbraw/zinc/00/56/86/212005686.db2.gz CWXRBMFWIOASIV-GOSISDBHSA-N 0 0 382.464 0.500 40 0 GCABRN CC(=O)NCCn1nc([C@H]2CCN(C(=O)[C@@H]3CCCCO3)C2)c2nccnc21 ZINC000019021475 204623194 /nfs/dbraw/zinc/62/31/94/204623194.db2.gz WSFOABCOXYJNCT-GJZGRUSLSA-N 0 0 386.456 0.847 40 0 GCABRN CCS(=O)(=O)N1CCN(C(=O)CN2CCC(c3csnn3)CC2)CC1 ZINC000019520339 204648967 /nfs/dbraw/zinc/64/89/67/204648967.db2.gz YQOGQKDPHLRZLI-UHFFFAOYSA-N 0 0 387.531 0.211 40 0 GCABRN CN(C)C(=O)[C@H]1CN(C(=O)c2cncnc2)C[C@@]12COc1ccccc1C2=O ZINC000019581368 204660940 /nfs/dbraw/zinc/66/09/40/204660940.db2.gz RFLAXENEFCQEST-FOIQADDNSA-N 0 0 380.404 0.899 40 0 GCABRN O=C(CNCc1ccccn1)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000055095289 205140861 /nfs/dbraw/zinc/14/08/61/205140861.db2.gz PMBRBTDRASATFF-UHFFFAOYSA-N 0 0 390.465 0.831 40 0 GCABRN Cc1nn(C)cc1[C@H]1C[C@@H](C(=O)Nc2cccnc2Cl)N(C)S(=O)(=O)N1 ZINC000072335130 205327029 /nfs/dbraw/zinc/32/70/29/205327029.db2.gz WYPANGDBBIBPBM-OLZOCXBDSA-N 0 0 398.876 0.995 40 0 GCABRN C[C@@H](C(=O)NCCn1nnn(-c2cccs2)c1=O)n1nc2ccccc2n1 ZINC000072341022 205328620 /nfs/dbraw/zinc/32/86/20/205328620.db2.gz PCPPCLALOLBGFY-NSHDSACASA-N 0 0 384.425 0.613 40 0 GCABRN CN(C)C(=O)[C@@]12CN(c3ncccn3)C[C@@H]1CN(C(=O)c1ccnnc1)CCC2 ZINC000096056113 205520296 /nfs/dbraw/zinc/52/02/96/205520296.db2.gz XYRYRLKTCMZVLR-JXFKEZNVSA-N 0 0 395.467 0.714 40 0 GCABRN Cc1cnc(C(=O)N2C[C@H]3C[C@H]4[C@@](CN(CC(C)C)S4(=O)=O)(C2)O3)cn1 ZINC000096146095 205531576 /nfs/dbraw/zinc/53/15/76/205531576.db2.gz YTDVIZQGHYPNIH-KMFMINBZSA-N 0 0 380.470 0.439 40 0 GCABRN CC1(C)c2sc(=O)[nH]c2S[C@H]2C(=O)N(CC(=O)N3CCOCC3)C(=O)[C@@H]21 ZINC000096300091 205557349 /nfs/dbraw/zinc/55/73/49/205557349.db2.gz OBROIGWEUCEWJH-NXEZZACHSA-N 0 0 397.478 0.032 40 0 GCABRN COC(=O)[C@@H](C)NC(=O)[C@H]1CN(C(=O)Nc2ccccc2)CCN1C(C)=O ZINC000005398287 205765369 /nfs/dbraw/zinc/76/53/69/205765369.db2.gz GIEJCGRIKQZDTH-IUODEOHRSA-N 0 0 376.413 0.429 40 0 biogenic,in-vitro GCABRN O=c1c(N(CCO)CCO)cn(Cc2ccccc2)c(=O)n1Cc1ccccc1 ZINC000001562232 205810582 /nfs/dbraw/zinc/81/05/82/205810582.db2.gz LEOAWLSQTRRILC-UHFFFAOYSA-N 0 0 395.459 0.898 40 0 GCABRN C[C@H](C(=O)NCCN1CCOCC1)N(c1ccc(F)c(F)c1)S(C)(=O)=O ZINC000220455728 205970756 /nfs/dbraw/zinc/97/07/56/205970756.db2.gz FNUZRHKLYPIHTC-GFCCVEGCSA-N 0 0 391.440 0.568 40 0 GCABRN O=C(COC(=O)CCn1ccc(=O)[nH]c1=O)Nc1nc2ccc(F)cc2s1 ZINC000223809450 206006360 /nfs/dbraw/zinc/00/63/60/206006360.db2.gz QHFKQYBBJGTQGT-UHFFFAOYSA-N 0 0 392.368 0.857 40 0 GCABRN COc1ccccc1OCCNC(=O)[C@H]1CCCN(S(=O)(=O)N(C)C)C1 ZINC000224383041 206019856 /nfs/dbraw/zinc/01/98/56/206019856.db2.gz DHEKMGMJVFQITP-AWEZNQCLSA-N 0 0 385.486 0.709 40 0 GCABRN CCOC(=O)N1CCN(C(=O)[C@H](c2ccccc2)N(C)S(C)(=O)=O)CC1 ZINC000224671766 206026423 /nfs/dbraw/zinc/02/64/23/206026423.db2.gz SBNYDBSWXGLRSQ-HNNXBMFYSA-N 0 0 383.470 0.920 40 0 GCABRN CCCNC(=O)N[C@@H]1C[C@H](COc2ccc(S(C)(=O)=O)cc2)[C@@H](O)[C@H]1O ZINC000225504883 206053967 /nfs/dbraw/zinc/05/39/67/206053967.db2.gz GRKZTAVOWNKSQB-MPESAESLSA-N 0 0 386.470 0.288 40 0 biogenic,in-vitro GCABRN Cc1nc(SCCNC(=O)CN(Cc2ccccc2)S(C)(=O)=O)n[nH]1 ZINC000226034741 206086968 /nfs/dbraw/zinc/08/69/68/206086968.db2.gz GHWXXNFQINAMMG-UHFFFAOYSA-N 0 0 383.499 0.783 40 0 GCABRN COC(=O)[C@@H]1[C@H](c2ccccc2)[C@H](C(=O)OC)[C@]2(C[C@@]1(C)O)NNC(=S)N2 ZINC000248011728 206136043 /nfs/dbraw/zinc/13/60/43/206136043.db2.gz JAOODCGAHPLYJW-HKAKVCCISA-N 0 0 393.465 0.182 40 0 GCABRN CCn1c(C)nc2cc(C(=O)N3C[C@@H](O)[C@H](n4cc(C)c(=O)[nH]c4=O)C3)ccc21 ZINC000257216476 206160397 /nfs/dbraw/zinc/16/03/97/206160397.db2.gz CUQRCTUURXUMGJ-IAGOWNOFSA-N 0 0 397.435 0.993 40 0 GCABRN CCCn1ccc(C(=O)N[C@@H]2C[C@@H](Oc3cccc(OC)c3)[C@H](O)[C@H]2O)n1 ZINC000257220168 206160875 /nfs/dbraw/zinc/16/08/75/206160875.db2.gz DJVKYPRPLDJOMG-BDXSIMOUSA-N 0 0 375.425 0.973 40 0 GCABRN O=C(N[C@@H]1C[C@@H](Oc2cccc(F)c2)[C@H](O)[C@H]1N1CCOCC1)c1cocn1 ZINC000257220094 206161178 /nfs/dbraw/zinc/16/11/78/206161178.db2.gz DJMPGDHNKSHBMP-BGTYHANMSA-N 0 0 391.399 0.825 40 0 GCABRN CCS(=O)(=O)CCN1Cc2ccnn2[C@H](C(=O)NCc2ccccn2)C1 ZINC000253490599 206149083 /nfs/dbraw/zinc/14/90/83/206149083.db2.gz JJSAYZWZXCSGAL-INIZCTEOSA-N 0 0 377.470 0.386 40 0 GCABRN CC(C)N1CCN(C(=O)CCS(=O)(=O)c2ccc(F)cc2)C[C@H]1C(N)=O ZINC000257275570 206172302 /nfs/dbraw/zinc/17/23/02/206172302.db2.gz NPXUVFRRNITQNH-HNNXBMFYSA-N 0 0 385.461 0.396 40 0 GCABRN CCc1nc2ccccc2n1CC(=O)N1C[C@@H](O)[C@H](n2cc(C)c(=O)[nH]c2=O)C1 ZINC000257290054 206173127 /nfs/dbraw/zinc/17/31/27/206173127.db2.gz QBJGQDMTIVATCT-HZPDHXFCSA-N 0 0 397.435 0.614 40 0 GCABRN CN(C)C(=O)c1cnn2c1nccc2[C@@H]1CCCN(S(=O)(=O)N(C)C)C1 ZINC000257295472 206174589 /nfs/dbraw/zinc/17/45/89/206174589.db2.gz QYKWBFNDDFYSLS-GFCCVEGCSA-N 0 0 380.474 0.417 40 0 GCABRN O=C(N[C@@H]1C[C@@H](Oc2ccccc2)[C@H](O)[C@H]1N1CCOCC1)c1cnccn1 ZINC000257304224 206176374 /nfs/dbraw/zinc/17/63/74/206176374.db2.gz SKPILUFJZIQKFQ-YSHGAJCASA-N 0 0 384.436 0.488 40 0 GCABRN CN(CC1(O)CCN(c2ccnc3cccnc32)CC1)C(=O)[C@@H]([NH3+])CC(=O)[O-] ZINC000257306102 206177125 /nfs/dbraw/zinc/17/71/25/206177125.db2.gz SSXMFLYQSSPZGU-ZDUSSCGKSA-N 0 0 387.440 0.222 40 0 GCABRN Cc1ccc2[nH]c(CCC(=O)N3C[C@@H](O)[C@H](n4cc(C)c(=O)[nH]c4=O)C3)nc2c1 ZINC000257233495 206162766 /nfs/dbraw/zinc/16/27/66/206162766.db2.gz GPNLCJJOAZNZBQ-HZPDHXFCSA-N 0 0 397.435 0.819 40 0 GCABRN CC(C)C(=O)N[C@H]1CCN(C(=O)Cn2cnc3ccccc3c2=O)CC[C@@H]1O ZINC000257251586 206166427 /nfs/dbraw/zinc/16/64/27/206166427.db2.gz JRKBIWXJXSKWSW-IRXDYDNUSA-N 0 0 386.452 0.521 40 0 GCABRN COCCNC(=O)[C@@H]1CN(C(=O)COC)C[C@H]1c1ccnc(N2CCCC2)n1 ZINC000257264815 206168946 /nfs/dbraw/zinc/16/89/46/206168946.db2.gz LWCASSJKIBJXKO-HUUCEWRRSA-N 0 0 391.472 0.028 40 0 GCABRN Cc1ccc(=O)n(CC(=O)N2C[C@@H]3OCC(=O)N(CCc4ccccc4)[C@H]3C2)n1 ZINC000257266349 206169140 /nfs/dbraw/zinc/16/91/40/206169140.db2.gz MCPKRLCHDMPGSI-ROUUACIJSA-N 0 0 396.447 0.233 40 0 GCABRN COCCNC(=O)[C@@H]1CN(C(=O)COC)C[C@@H]1c1ccnc(N2CCCC2)n1 ZINC000257264816 206169638 /nfs/dbraw/zinc/16/96/38/206169638.db2.gz LWCASSJKIBJXKO-LSDHHAIUSA-N 0 0 391.472 0.028 40 0 GCABRN Cc1nonc1CNC(=O)[C@@H]1CN(C(=O)Cn2ccc3ccccc32)CCN1C ZINC000257266590 206169705 /nfs/dbraw/zinc/16/97/05/206169705.db2.gz MDQMRYORSIWRPR-SFHVURJKSA-N 0 0 396.451 0.792 40 0 GCABRN CC(=O)N1CCN([C@@H]2CCC[C@@H](NC(=O)Cn3cnc4ccccc43)[C@H]2O)CC1 ZINC000257272937 206170027 /nfs/dbraw/zinc/17/00/27/206170027.db2.gz NELMKRTZFDTKIA-YFVAEKQCSA-N 0 0 399.495 0.599 40 0 GCABRN O=C(NC[C@]1(O)COCCN(C(=O)c2cc3ccccc3[nH]2)C1)c1ccn[nH]1 ZINC000257316089 206178533 /nfs/dbraw/zinc/17/85/33/206178533.db2.gz VEBAESAEOVTTSR-LJQANCHMSA-N 0 0 383.408 0.525 40 0 GCABRN COCCN1CC[C@]2(CN(C(=O)c3ccn(C)n3)C[C@@H]2c2cn(C)cn2)C1=O ZINC000306139669 206205569 /nfs/dbraw/zinc/20/55/69/206205569.db2.gz TXCRFROJBGWYEL-AUUYWEPGSA-N 0 0 386.456 0.258 40 0 GCABRN Cc1cnc(C(=O)N2C[C@@H]3Cn4c(nn(CC5CCC5)c(=O)c4=O)[C@H]3C2)cn1 ZINC000306141219 206206803 /nfs/dbraw/zinc/20/68/03/206206803.db2.gz VOOCXMSYWUPVKR-KGLIPLIRSA-N 0 0 382.424 0.173 40 0 GCABRN Cn1ccnc1-c1nnc2n(c1=O)CC[C@@]21CCN(C(=O)c2ccncc2)C1 ZINC000306143313 206206884 /nfs/dbraw/zinc/20/68/84/206206884.db2.gz XYMZGAHMIYTZQY-LJQANCHMSA-N 0 0 377.408 0.621 40 0 GCABRN Cc1cncc(C(=O)N2C[C@H]3Cn4c(nn(CC5CCC5)c(=O)c4=O)[C@@H]3C2)c1 ZINC000306125011 206196886 /nfs/dbraw/zinc/19/68/86/206196886.db2.gz CELVKJLCKBSDEB-JKSUJKDBSA-N 0 0 381.436 0.778 40 0 GCABRN Cc1nc(Cn2nc3n(c(=O)c2=O)C[C@@]2(CCN(C(=O)C4CC4)C2)C3)cs1 ZINC000306123524 206197421 /nfs/dbraw/zinc/19/74/21/206197421.db2.gz APIUNSDFJHPEMQ-SFHVURJKSA-N 0 0 387.465 0.403 40 0 GCABRN Cc1ccc(Cn2nc3n(c(=O)c2=O)C[C@@]2(CCN(C(=O)C4CC4)C2)C3)cc1 ZINC000306127255 206198693 /nfs/dbraw/zinc/19/86/93/206198693.db2.gz FTEXKHLUAWNCFK-NRFANRHFSA-N 0 0 380.448 0.947 40 0 GCABRN CC(=O)N1C[C@H]2CN(C)C(=O)c3c(C(=O)NCc4ccccc4)ncn3[C@@H]2C1 ZINC000306128359 206199312 /nfs/dbraw/zinc/19/93/12/206199312.db2.gz GYNGQUAANFXZAB-HZPDHXFCSA-N 0 0 381.436 0.918 40 0 GCABRN O=C(C1CC1)N1CC[C@@]2(C1)Cn1c(=O)c(=O)n(Cc3ccccc3)nc1CO2 ZINC000306133838 206201485 /nfs/dbraw/zinc/20/14/85/206201485.db2.gz MXQLGCVSBMOBGW-HXUWFJFHSA-N 0 0 382.420 0.365 40 0 GCABRN CS(=O)(=O)NC[C@H]1Cn2nccc2CN(C(=O)c2cc(C3CC3)on2)C1 ZINC000306132082 206202085 /nfs/dbraw/zinc/20/20/85/206202085.db2.gz KXRKGDGPNAYOPM-LLVKDONJSA-N 0 0 379.442 0.570 40 0 GCABRN Cc1cnc(C(=O)N2Cc3ccnn3C[C@@H](CCNS(C)(=O)=O)C2)cn1 ZINC000306133269 206202098 /nfs/dbraw/zinc/20/20/98/206202098.db2.gz MGYTZIMDBPOQAR-ZDUSSCGKSA-N 0 0 378.458 0.193 40 0 GCABRN CC(C)N1[C@H]2CN(Cc3cnn(C)c3)C[C@@H]2N(C)c2ncccc2S1(=O)=O ZINC000306135378 206203752 /nfs/dbraw/zinc/20/37/52/206203752.db2.gz OPJHQJLESGUQBX-HOTGVXAUSA-N 0 0 390.513 0.917 40 0 GCABRN CCC(CC)C(=O)NC[C@H]1O[C@@H](CC(=O)NCc2ccc(F)cc2)[C@H](O)[C@@H]1O ZINC000008624358 211596490 /nfs/dbraw/zinc/59/64/90/211596490.db2.gz VLZHYTDIYPNEII-OGWHTMIXSA-N 0 0 396.459 0.874 40 0 biogenic,in-vitro GCABRN CCn1c(=O)c2c(nc(SCC(=O)NC3CCCCC3)n2C)n(C)c1=O ZINC000000887156 211493864 /nfs/dbraw/zinc/49/38/64/211493864.db2.gz YLPRRVLWOGTZBR-UHFFFAOYSA-N 0 0 379.486 0.995 40 0 GCABRN CNC(=O)N1C[C@H]2C[C@H]3[C@@](CN(CCc4ccc(OC)cc4)S3(=O)=O)(C1)O2 ZINC000096146030 211310295 /nfs/dbraw/zinc/31/02/95/211310295.db2.gz GQDZFJSOIVVVAK-RYRKJORJSA-N 0 0 395.481 0.434 40 0 GCABRN Cc1oncc1C(=O)NCc1cc(=O)n2c(n1)CN(Cc1cnn(C)c1)CCC2 ZINC000096059666 211297712 /nfs/dbraw/zinc/29/77/12/211297712.db2.gz NKONRXLWZAUSLO-UHFFFAOYSA-N 0 0 397.439 0.609 40 0 GCABRN CCN(CC)C(=O)[C@H]1Cn2ccnc2C2(CCN(S(=O)(=O)CC)CC2)O1 ZINC000096036904 211295813 /nfs/dbraw/zinc/29/58/13/211295813.db2.gz BCLCQBDANFESIO-CQSZACIVSA-N 0 0 384.502 0.791 40 0 GCABRN NC(=O)[C@@H]1Cn2ccnc2C2(CCN(S(=O)(=O)c3ccccc3)CC2)O1 ZINC000096144782 211308506 /nfs/dbraw/zinc/30/85/06/211308506.db2.gz HFSBLKHHCGARBJ-AWEZNQCLSA-N 0 0 376.438 0.447 40 0 GCABRN NC(=O)[C@H]1Cn2ccnc2C2(CCN(S(=O)(=O)c3ccccc3)CC2)O1 ZINC000096144781 211307951 /nfs/dbraw/zinc/30/79/51/211307951.db2.gz HFSBLKHHCGARBJ-CQSZACIVSA-N 0 0 376.438 0.447 40 0 GCABRN CCN1C(=O)CC[C@H]1CNC(=O)c1cc(S(=O)(=O)CC)c(N)cc1OC ZINC000077312089 211129434 /nfs/dbraw/zinc/12/94/34/211129434.db2.gz RXSOPJVIOWCCCJ-NSHDSACASA-N 0 0 383.470 0.812 40 0 in-vitro GCABRN O=C(CN1CC[C@]2(CCC1=O)NC(=O)c1ccccc1O2)NC[C@H]1CCCO1 ZINC000072326018 211089826 /nfs/dbraw/zinc/08/98/26/211089826.db2.gz RUFBLEWFMGHEES-JLTOFOAXSA-N 0 0 387.436 0.813 40 0 GCABRN COc1cc(C(=O)Nn2ccc3c(nnc4ccnn43)c2=O)cc(OC)c1OC ZINC000040388111 210785370 /nfs/dbraw/zinc/78/53/70/210785370.db2.gz RPKYHKAHTVSMFG-UHFFFAOYSA-N 0 0 396.363 0.849 40 0 GCABRN CCn1c(SCC(=O)NC2CCCCC2)nc2c1c(=O)n(C)c(=O)n2C ZINC000039861099 210519211 /nfs/dbraw/zinc/51/92/11/210519211.db2.gz LYOGBXDQDMZVFQ-UHFFFAOYSA-N 0 0 379.486 0.995 40 0 GCABRN CCOC(=O)[C@@H]1C([O-])=NC(N2CCN(C(=O)OCC)CC2)=[NH+][C@@H]1c1ccco1 ZINC000020637030 210353995 /nfs/dbraw/zinc/35/39/95/210353995.db2.gz QPINWYWYRZQIIU-UONOGXRCSA-N 0 0 392.412 0.760 40 0 GCABRN Cc1ccc(C)c(N(CC(=O)N2CCC(C(N)=O)CC2)S(=O)(=O)N(C)C)c1 ZINC000020244784 210324106 /nfs/dbraw/zinc/32/41/06/210324106.db2.gz DLNDHEBFVRXXDN-UHFFFAOYSA-N 0 0 396.513 0.640 40 0 GCABRN CCn1cc(NC(=O)CN2CCN(S(=O)(=O)N3CCCC3)CC2)c(C)n1 ZINC000019715568 210285964 /nfs/dbraw/zinc/28/59/64/210285964.db2.gz GTTKHSBAWQYKRF-UHFFFAOYSA-N 0 0 384.506 0.108 40 0 GCABRN C[C@]1(C(=O)N2CCOCC2)CN(C(=O)c2ccc3nsnc3c2)CCO1 ZINC000019746877 210291450 /nfs/dbraw/zinc/29/14/50/210291450.db2.gz UXFRFISSQRWAAS-QGZVFWFLSA-N 0 0 376.438 0.781 40 0 GCABRN Cc1nn(C)cc1S(=O)(=O)N1CCC[C@H](C(=O)NCCc2cnccn2)C1 ZINC000019584000 210269330 /nfs/dbraw/zinc/26/93/30/210269330.db2.gz ROCOEZFVGCKOSO-AWEZNQCLSA-N 0 0 392.485 0.278 40 0 GCABRN COCC(=O)N[C@H](Cc1cc(=O)[nH]c(N2CCOCC2)n1)c1ccc(F)cc1 ZINC000019592982 210274462 /nfs/dbraw/zinc/27/44/62/210274462.db2.gz CSPSOIXALFAOSW-MRXNPFEDSA-N 0 0 390.415 0.792 40 0 GCABRN CN(CC(=O)N1CC(=O)N(CCc2ccccc2)C(=O)C1)Cc1ccccn1 ZINC000019586543 210271613 /nfs/dbraw/zinc/27/16/13/210271613.db2.gz BJKLXVFHTBUCQN-UHFFFAOYSA-N 0 0 380.448 0.954 40 0 GCABRN COc1ccc([C@@H]2C[C@H](C(=O)N3CCOCC3)N(C)S(=O)(=O)N2)cc1OC ZINC000012129919 221157401 /nfs/dbraw/zinc/15/74/01/221157401.db2.gz XTJMXACPBIOLNS-UONOGXRCSA-N 0 0 399.469 0.142 40 0 GCABRN COCCNC(=O)c1cn(C[C@H]2CCCN(C(=O)c3cscn3)C2)nn1 ZINC000012184851 221164258 /nfs/dbraw/zinc/16/42/58/221164258.db2.gz IYNUQPSAFQWRNV-LBPRGKRZSA-N 0 0 378.458 0.663 40 0 GCABRN CCN1CCN(C2=[NH+][C@@H](C(=O)Nc3ccc4c(c3)OCCO4)C=C([O-])N2)CC1 ZINC000014606958 221312924 /nfs/dbraw/zinc/31/29/24/221312924.db2.gz WOJLTIZHKBBLLA-CQSZACIVSA-N 0 0 387.440 0.278 40 0 GCABRN CS(=O)(=O)N(CC(=O)Nc1ccc(S(N)(=O)=O)cc1)Cc1ccccc1 ZINC000409087013 533376555 /nfs/dbraw/zinc/37/65/55/533376555.db2.gz IJTSYCNEDBMKBO-UHFFFAOYSA-N 0 0 397.478 0.734 40 0 GCABRN CS(=O)(=O)N(CC(=O)N1CCC(C(N)=O)CC1)Cc1ccc(Cl)cc1 ZINC000409393814 533377021 /nfs/dbraw/zinc/37/70/21/533377021.db2.gz YGVWGPFVDSUTQB-UHFFFAOYSA-N 0 0 387.889 0.826 40 0 GCABRN COC(=O)COc1ccc(S(=O)(=O)NCCN2CCOCC2)cc1Cl ZINC000408592459 533562827 /nfs/dbraw/zinc/56/28/27/533562827.db2.gz KPJMYGZDINUMOM-UHFFFAOYSA-N 0 0 392.861 0.502 40 0 GCABRN COc1cccc(NS(=O)(=O)c2ccc(OCC(=O)NCCO)cc2)c1 ZINC000408597563 533620891 /nfs/dbraw/zinc/62/08/91/533620891.db2.gz ZHWOSPGNFRMHAV-UHFFFAOYSA-N 0 0 380.422 0.983 40 0 GCABRN CC(=O)N1CC(=O)N(c2ccccc2)C[C@]12CCN(S(=O)(=O)C1CC1)C2 ZINC000096077230 136183449 /nfs/dbraw/zinc/18/34/49/136183449.db2.gz ZAWGPOLNWPEOCL-GOSISDBHSA-N 0 0 377.466 0.818 40 0 GCABRN Cc1cc(C(=O)N2CC[C@]3(C2)COCc2cnc(N4CCOCC4)nc23)no1 ZINC000096244161 136185558 /nfs/dbraw/zinc/18/55/58/136185558.db2.gz OVKJLQNMKBICHH-IBGZPJMESA-N 0 0 385.424 0.924 40 0 GCABRN CCCCS(=O)(=O)N1CC[C@@]2(C1)COCc1cnc(N3CCOCC3)nc12 ZINC000096244208 136185696 /nfs/dbraw/zinc/18/56/96/136185696.db2.gz CVBLFOMVKIPPFE-GOSISDBHSA-N 0 0 396.513 0.917 40 0 GCABRN COCCC(=O)N1CC[C@@]2(C1)COCc1c(C)nc(N3CCOCC3)nc12 ZINC000096244612 136185778 /nfs/dbraw/zinc/18/57/78/136185778.db2.gz XJKAVNAWYBOVHY-LJQANCHMSA-N 0 0 376.457 0.658 40 0 GCABRN CS(=O)(=O)N1CCC(C(=O)NCc2ccnc(N3CCCCC3)n2)CC1 ZINC000224209228 136206489 /nfs/dbraw/zinc/20/64/89/136206489.db2.gz NLOLWDAXUAJHFF-UHFFFAOYSA-N 0 0 381.502 0.755 40 0 GCABRN CN(C)Cc1cc([C@H]2CCCN(C(=O)COCCN3CCCC3=O)C2)nn1C ZINC000072370172 222241063 /nfs/dbraw/zinc/24/10/63/222241063.db2.gz AHYRDHJVVPECTF-INIZCTEOSA-N 0 0 391.516 0.827 40 0 GCABRN O=C(NCCO)C1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1 ZINC000408973756 534365453 /nfs/dbraw/zinc/36/54/53/534365453.db2.gz UUQNVHMUBYCOTB-UHFFFAOYSA-N 0 0 391.287 0.958 40 0 GCABRN O=C(COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1)NCCO ZINC000408528456 534626673 /nfs/dbraw/zinc/62/66/73/534626673.db2.gz GFJNRPOLDOBKFL-UHFFFAOYSA-N 0 0 376.434 0.925 40 0 GCABRN CCNS(=O)(=O)c1cc(C(=O)N2CCC(C(N)=O)CC2)ccc1OCC ZINC000408700604 528375096 /nfs/dbraw/zinc/37/50/96/528375096.db2.gz ISNFCPOGFIFYIU-UHFFFAOYSA-N 0 0 383.470 0.721 40 0 GCABRN CCOc1ccc(C(=O)NCCN2CCOCC2)cc1S(=O)(=O)NC(C)C ZINC000408701185 528400402 /nfs/dbraw/zinc/40/04/02/528400402.db2.gz SZBNUXBPYXWILI-UHFFFAOYSA-N 0 0 399.513 0.834 40 0 GCABRN CCCO[C@@H]1O[C@@H](C(=O)OC)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000504726477 528606007 /nfs/dbraw/zinc/60/60/07/528606007.db2.gz VDBRYEIACQHBSB-AQDIXCGQSA-N 0 0 376.358 0.106 40 0 GCABRN O=C(c1ccccc1)N1CC2(C1)CN(C(=O)c1cccnc1)C[C@@H]1C[C@@H](O)CN12 ZINC000514290229 560030425 /nfs/dbraw/zinc/03/04/25/560030425.db2.gz VHVNNTFPHTUSFU-RBUKOAKNSA-N 0 0 392.459 0.867 40 0 biogenic,in-vitro GCABRN CC(=O)N1CCCN(C[C@@H]2OC[C@H](NC(=O)c3cccc(F)c3)[C@H]2O)CC1 ZINC000514288369 560035242 /nfs/dbraw/zinc/03/52/42/560035242.db2.gz BIAUJNOWVGTVNC-OKZBNKHCSA-N 0 0 379.432 0.238 40 0 biogenic,in-vitro GCABRN O=C(N1CCOCC1)N1CCC(O)(c2csc(CN3CCOCC3)n2)CC1 ZINC000225424328 560043084 /nfs/dbraw/zinc/04/30/84/560043084.db2.gz IGWBVHSSYBZVPT-UHFFFAOYSA-N 0 0 396.513 0.711 40 0 biogenic,in-vitro GCABRN COC(=O)[C@@H]1CN(C(=O)c2cccc(F)c2)CCN1C(=O)N1CCOCC1 ZINC000015709514 560096334 /nfs/dbraw/zinc/09/63/34/560096334.db2.gz GUMCZRYUTDHDSE-HNNXBMFYSA-N 0 0 379.388 0.577 40 0 biogenic,in-vitro GCABRN Cc1ccc([C@]2(O)CCN(C(=O)CNC(=O)c3nc4ncccn4n3)C2)cc1 ZINC000019718956 570210301 /nfs/dbraw/zinc/21/03/01/570210301.db2.gz JXEIBSIVGWDGSE-IBGZPJMESA-N 0 0 380.408 0.283 40 0 GCABRN Cn1cc(CN2C[C@H]3C[C@H]4[C@@](CN(Cc5ccccc5)S4(=O)=O)(C2)O3)cn1 ZINC000096087822 570210431 /nfs/dbraw/zinc/21/04/31/570210431.db2.gz FIGIMACJIXDNNP-QYZOEREBSA-N 0 0 388.493 0.978 40 0 GCABRN COCCNC(=O)CN1CCCC[C@H]1c1nc(C)c2c(n1)N(C)C(=O)CC2 ZINC000019740912 570212304 /nfs/dbraw/zinc/21/23/04/570212304.db2.gz WNUWKIZOCNIWEB-HNNXBMFYSA-N 0 0 375.473 0.984 40 0 GCABRN Cn1nc2c(c1C(=O)N1CCO[C@@](C)(C(=O)N3CCOCC3)C1)CCCC2 ZINC000019746942 570213992 /nfs/dbraw/zinc/21/39/92/570213992.db2.gz FWLXNOQRMZEKOR-LJQANCHMSA-N 0 0 376.457 0.389 40 0 GCABRN O=C(Cn1cncn1)N[C@H]1CCc2ccc(S(=O)(=O)N3CCOCC3)cc21 ZINC000019749522 570215150 /nfs/dbraw/zinc/21/51/50/570215150.db2.gz ZJBRATLLWFGNFT-INIZCTEOSA-N 0 0 391.453 0.103 40 0 GCABRN CCS(=O)(=O)N1CCc2c(nc([C@H]3CCCN(C(C)=O)C3)nc2NC)C1 ZINC000019752840 570215882 /nfs/dbraw/zinc/21/58/82/570215882.db2.gz GSHGXGSGKJLJFI-ZDUSSCGKSA-N 0 0 381.502 0.952 40 0 GCABRN COCCC(=O)N1C[C@@H]2c3nc(NCC4CC4)ncc3CS(=O)(=O)[C@@H]2C1 ZINC000096251940 570224730 /nfs/dbraw/zinc/22/47/30/570224730.db2.gz DIPSJKIOONGICB-UONOGXRCSA-N 0 0 380.470 0.558 40 0 GCABRN Cn1nccc1C(=O)N1CCO[C@@](COc2ccc(F)cc2)(CC(N)=O)C1 ZINC000585283470 570251558 /nfs/dbraw/zinc/25/15/58/570251558.db2.gz OPIATDYAFPZDEX-SFHVURJKSA-N 0 0 376.388 0.725 40 0 GCABRN Cn1nccc1C(=O)N1CCO[C@](COc2ccc(F)cc2)(CC(N)=O)C1 ZINC000585283468 570251573 /nfs/dbraw/zinc/25/15/73/570251573.db2.gz OPIATDYAFPZDEX-GOSISDBHSA-N 0 0 376.388 0.725 40 0 GCABRN Cc1nc(/C=C/C(=O)N(C)[C@@H]2CCC[C@@H](N3CCNC(=O)C3)[C@@H]2O)cs1 ZINC000585290244 570258103 /nfs/dbraw/zinc/25/81/03/570258103.db2.gz PHEXVXMNOVMFSV-PKARVDPGSA-N 0 0 378.498 0.637 40 0 GCABRN COc1cc2nc(N3CCN(C(=O)C[C@H](C)O)CC3)nc(N)c2cc1OC ZINC000002016010 570271952 /nfs/dbraw/zinc/27/19/52/570271952.db2.gz IOSMPEJNAQZKJT-NSHDSACASA-N 0 0 375.429 0.649 40 0 in-man GCABRN CN1CCN(N2Cn3c4ccccc4nc3N(CCCN3CCOCC3)C2)CC1 ZINC000020637199 570273792 /nfs/dbraw/zinc/27/37/92/570273792.db2.gz UBFMIMKHGMRGAE-UHFFFAOYSA-N 0 0 399.543 0.958 40 0 GCABRN CCOc1ccccc1NC(=O)C(=O)NCc1ccc(S(N)(=O)=O)cc1 ZINC000020769101 570281935 /nfs/dbraw/zinc/28/19/35/570281935.db2.gz LUELNLKJPPXQAY-UHFFFAOYSA-N 0 0 377.422 0.988 40 0 GCABRN Nc1nc2c(ncn2[C@H]2O[C@@H](CO)[C@@H](O)[C@H]2O)c(CC(=O)c2ccccc2)n1 ZINC000104200542 570299156 /nfs/dbraw/zinc/29/91/56/570299156.db2.gz TXHIENAAASYZJJ-PXRQGOFUSA-N 0 0 385.380 0.076 40 0 GCABRN COC(=O)C1(C(=O)OC)O[C@@H](c2ccc(OC)cc2)[C@H]2C(=O)N(C)C(=O)[C@H]21 ZINC000104243338 570300279 /nfs/dbraw/zinc/30/02/79/570300279.db2.gz BABFQGSVMPHVNB-AVGNSLFASA-N 0 0 377.349 0.082 40 0 GCABRN CC(C)(C)NC(=O)C(=O)NCCc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000022228117 570308043 /nfs/dbraw/zinc/30/80/43/570308043.db2.gz GUBPOZBMYXSIID-UHFFFAOYSA-N 0 0 397.497 0.281 40 0 GCABRN O=C(NCc1ccc(S(=O)(=O)N2CCOCC2)cc1)C(=O)N1CCCCC1 ZINC000022228549 570308066 /nfs/dbraw/zinc/30/80/66/570308066.db2.gz RNVATIMYASWFRA-UHFFFAOYSA-N 0 0 395.481 0.336 40 0 GCABRN CN(c1ccc(OCC(=O)NCCCN2CCOCC2)cc1)S(C)(=O)=O ZINC000022230830 570308437 /nfs/dbraw/zinc/30/84/37/570308437.db2.gz NVICOHWFGYVTFE-UHFFFAOYSA-N 0 0 385.486 0.300 40 0 GCABRN CCN1CCN(C(=O)c2cc(OC)c(OC)cc2N(C)S(C)(=O)=O)CC1 ZINC000022251387 570310928 /nfs/dbraw/zinc/31/09/28/570310928.db2.gz GRJXXBQSNSUCGW-UHFFFAOYSA-N 0 0 385.486 0.877 40 0 GCABRN C[C@@H](O)[C@@H]1N[C@]2(C(=O)Nc3ccc(F)cc32)[C@@H]2C(=O)N(C(C)(C)C)C(=O)[C@H]12 ZINC000016034101 570313258 /nfs/dbraw/zinc/31/32/58/570313258.db2.gz IRPYICWEKOXUOT-RNPZLZAPSA-N 0 0 375.400 0.725 40 0 GCABRN CS(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccccc2C(=O)N2CCOCC2)C1 ZINC000113972636 570339093 /nfs/dbraw/zinc/33/90/93/570339093.db2.gz WSGQPARBGCQNIN-CQSZACIVSA-N 0 0 395.481 0.769 40 0 GCABRN COCC(=O)N[C@H]1[C@H](c2cccs2)N(C(=O)N2CCOCC2)CC[C@@]1(C)O ZINC000604383093 570353867 /nfs/dbraw/zinc/35/38/67/570353867.db2.gz IDKJGVOOMUDKCF-XYJFISCASA-N 0 0 397.497 0.829 40 0 biogenic,in-vitro GCABRN CC[C@H](C)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]([C@@H](C)O)N[C@@]21C(=O)Nc2ccc(F)cc21 ZINC000035375415 570363811 /nfs/dbraw/zinc/36/38/11/570363811.db2.gz IXUGXRFAPZBLMB-DTRWXKKZSA-N 0 0 375.400 0.725 40 0 GCABRN COc1cccc(N([C@H](C)C(=O)NCCN2CCOCC2)S(C)(=O)=O)c1 ZINC000220175178 570383525 /nfs/dbraw/zinc/38/35/25/570383525.db2.gz FUAGZSUPXDFAJG-CQSZACIVSA-N 0 0 385.486 0.298 40 0 GCABRN COc1ccc(N(CCCC(=O)NCCN2CCOCC2)S(C)(=O)=O)cc1 ZINC000222604395 570416451 /nfs/dbraw/zinc/41/64/51/570416451.db2.gz KJVQOVPBXWSJAE-UHFFFAOYSA-N 0 0 399.513 0.690 40 0 GCABRN CC[C@@H](C)NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(-n3cnnn3)cc2)C1 ZINC000004411428 570421146 /nfs/dbraw/zinc/42/11/46/570421146.db2.gz RUZMRLNEEMNAMP-KGLIPLIRSA-N 0 0 392.485 0.978 40 0 GCABRN CC[C@H](C)NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(-n3cnnn3)cc2)C1 ZINC000004411429 570421284 /nfs/dbraw/zinc/42/12/84/570421284.db2.gz RUZMRLNEEMNAMP-KBPBESRZSA-N 0 0 392.485 0.978 40 0 GCABRN CC(=O)N[C@@H](COC(C)=O)[C@@H]1OC(C)(C)O[C@H]1[C@@H](COC(C)=O)OC(C)=O ZINC000004990527 570422033 /nfs/dbraw/zinc/42/20/33/570422033.db2.gz KQLKRKAMQRLYLO-FZKCQIBNSA-N 0 0 389.401 0.069 40 0 GCABRN Cc1nc(SCCNC(=O)COc2ccc(S(=O)(=O)N(C)C)cc2)n[nH]1 ZINC000222756243 570424084 /nfs/dbraw/zinc/42/40/84/570424084.db2.gz RPUZGAMZBPRKHE-UHFFFAOYSA-N 0 0 399.498 0.651 40 0 GCABRN COc1ccc(C)cc1NC(=O)C(=O)NCc1ccc(S(N)(=O)=O)cc1 ZINC000038946121 570430555 /nfs/dbraw/zinc/43/05/55/570430555.db2.gz VTUYYFGRNYKMNU-UHFFFAOYSA-N 0 0 377.422 0.906 40 0 GCABRN COc1ccc(C(=O)NCCCN2CCOCC2)cc1S(=O)(=O)NC(C)C ZINC000027689524 570440164 /nfs/dbraw/zinc/44/01/64/570440164.db2.gz FDEOUAPIJZTTSG-UHFFFAOYSA-N 0 0 399.513 0.834 40 0 GCABRN CCNC(=O)c1cc(S(=O)(=O)N2CCN(C(=O)OCC)CC2)ccc1OC ZINC000026111971 570449305 /nfs/dbraw/zinc/44/93/05/570449305.db2.gz SQIWOQBNWAOKEO-UHFFFAOYSA-N 0 0 399.469 0.908 40 0 GCABRN O=c1[nH]cc(S(=O)(=O)N2CCC(c3nc4ccccc4o3)CC2)c(=O)[nH]1 ZINC000028284324 570453627 /nfs/dbraw/zinc/45/36/27/570453627.db2.gz LSAQGXHRJRXQFM-UHFFFAOYSA-N 0 0 376.394 0.773 40 0 GCABRN CCC(=O)NCCNc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccccc1 ZINC000035291092 570458580 /nfs/dbraw/zinc/45/85/80/570458580.db2.gz OQPKZVQAGTWSOQ-UHFFFAOYSA-N 0 0 384.440 0.420 40 0 GCABRN CC(C)C(=O)NCCNc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccccc1 ZINC000035291094 570458826 /nfs/dbraw/zinc/45/88/26/570458826.db2.gz LZAMVJFIYMYBHL-UHFFFAOYSA-N 0 0 398.467 0.666 40 0 GCABRN NC(=O)C1CCN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)CC1 ZINC000026536217 570468315 /nfs/dbraw/zinc/46/83/15/570468315.db2.gz BVSYRAZUZUUZCP-CQSZACIVSA-N 0 0 397.472 0.950 40 0 GCABRN COc1ccc(C)cc1N(CC(=O)N1CCC(C(N)=O)CC1)S(C)(=O)=O ZINC000000785360 570481187 /nfs/dbraw/zinc/48/11/87/570481187.db2.gz FOKISEIYKRJPIO-UHFFFAOYSA-N 0 0 383.470 0.494 40 0 GCABRN Cc1oc(=O)oc1COC(=O)C1=C([C@@H]2CCCO2)S[C@@H]2[C@@H]([C@H](C)O)C(=O)N12 ZINC000255981596 570486486 /nfs/dbraw/zinc/48/64/86/570486486.db2.gz JQBKWZPHJOEQAO-VJEBRTDTSA-N 0 0 397.405 0.887 40 0 GCABRN CS(=O)(=O)N1C[C@H](C(=O)Nc2ccccc2C(N)=O)Oc2ccccc21 ZINC000030946373 570501830 /nfs/dbraw/zinc/50/18/30/570501830.db2.gz HQHSNAWSGDPXCE-OAHLLOKOSA-N 0 0 375.406 0.951 40 0 GCABRN CN1CC2(CN(C(=O)c3cccc(O)c3)C2)OC[C@H]1C(=O)N1CCCCO1 ZINC000575403908 570520066 /nfs/dbraw/zinc/52/00/66/570520066.db2.gz KUCRIDYTLTZMIV-INIZCTEOSA-N 0 0 375.425 0.471 40 0 GCABRN CC(C)=CCCC(=O)C(C1=Nc2nnc(N)n2C1=O)=c1[nH]c2nnc(N)n2c1=O ZINC000008655811 570536655 /nfs/dbraw/zinc/53/66/55/570536655.db2.gz MMLAYHHFMUWLML-UHFFFAOYSA-N 0 0 396.371 0.119 40 0 GCABRN CCCNS(=O)(=O)c1ccc(OCC(=O)NCCCN2CCOCC2)cc1 ZINC000039985814 570595142 /nfs/dbraw/zinc/59/51/42/570595142.db2.gz XTZKPUTYLYWOBJ-UHFFFAOYSA-N 0 0 399.513 0.592 40 0 GCABRN CCN(CC(=O)NCCN1CCOCC1)S(=O)(=O)c1cc(C)ccc1OC ZINC000039986064 570595666 /nfs/dbraw/zinc/59/56/66/570595666.db2.gz VJKAODLCHSWPSX-UHFFFAOYSA-N 0 0 399.513 0.463 40 0 GCABRN CCn1c(SCC(=O)NCc2cccs2)nc2c1c(=O)n(C)c(=O)n2C ZINC000004102825 570619108 /nfs/dbraw/zinc/61/91/08/570619108.db2.gz KQZOTUCOFDMGIB-UHFFFAOYSA-N 0 0 393.494 0.924 40 0 GCABRN CC[C@@H]1CCCCN1C(=O)CSc1nc2c(c(=O)n(C)c(=O)n2C)n1C ZINC000004162147 570620592 /nfs/dbraw/zinc/62/05/92/570620592.db2.gz FDHVGWGGWJJVAM-LLVKDONJSA-N 0 0 379.486 0.854 40 0 GCABRN COCCN(CC(=O)NC[C@H]1CCCO1)C(=O)CCC(=O)Nc1nccs1 ZINC000004848414 570634489 /nfs/dbraw/zinc/63/44/89/570634489.db2.gz QZLQLPYKZRIWMF-CYBMUJFWSA-N 0 0 398.485 0.632 40 0 GCABRN COCCN1C[C@H](C(=O)N2CC[C@H](c3cc(=O)[nH]c(N(C)C)n3)C2)CC1=O ZINC000012367372 570647217 /nfs/dbraw/zinc/64/72/17/570647217.db2.gz XXCYVMFGKZMHGO-QWHCGFSZSA-N 0 0 377.445 0.059 40 0 GCABRN O=C(NCCN1CCN(C(=O)c2ccccc2)CC1)C(=O)NCc1ccccc1 ZINC000059488499 570658197 /nfs/dbraw/zinc/65/81/97/570658197.db2.gz AWEFRDCBGUKQTD-UHFFFAOYSA-N 0 0 394.475 0.877 40 0 GCABRN CNc1ccccc1C(=O)[C@]1(C)[C@H](C(=O)NCCOC)[C@@H]1C(=O)NCCOC ZINC000100493074 570708466 /nfs/dbraw/zinc/70/84/66/570708466.db2.gz BROVBIZBHLZLMY-IGOJGBNBSA-N 0 0 391.468 0.689 40 0 GCABRN Cc1ccc(OCC(=O)N2Cc3cncn3[C@@H](CNS(C)(=O)=O)C2)cc1 ZINC000248005026 570720007 /nfs/dbraw/zinc/72/00/07/570720007.db2.gz GCGKYLKYLLZALJ-HNNXBMFYSA-N 0 0 378.454 0.703 40 0 GCABRN CCOC(=O)[C@H]1C(=O)Nc2c(c(=O)n(C)c(=O)n2C)[C@H]1c1ccc(F)cc1 ZINC000004999285 570730372 /nfs/dbraw/zinc/73/03/72/570730372.db2.gz PWYPAGXBJINJHK-DGCLKSJQSA-N 0 0 375.356 0.486 40 0 GCABRN CNC(=O)[C@@H]1[C@H]2C=C[C@]3(O2)[C@@H]1C(=O)N(C1CC1)[C@@H]3C(=O)NCc1ccc(F)cc1 ZINC000005000470 570730911 /nfs/dbraw/zinc/73/09/11/570730911.db2.gz ZDLFAXSVZWDOTC-IALVOCICSA-N 0 0 399.422 0.501 40 0 GCABRN CC(C)(C)OC(=O)N1CCN(C(=O)c2ccccn2)[C@H]2CS(=O)(=O)C[C@@H]21 ZINC000253495503 570733236 /nfs/dbraw/zinc/73/32/36/570733236.db2.gz GVEXXDUPPZYNII-KBPBESRZSA-N 0 0 381.454 0.940 40 0 GCABRN COC(=O)c1ccc([C@@H]2N=c3ccccc3=C3C(=O)N=C(SC)NN32)cc1 ZINC000588225029 570744045 /nfs/dbraw/zinc/74/40/45/570744045.db2.gz IMDKGCGAEGLACH-MRXNPFEDSA-N 0 0 380.429 0.979 40 0 GCABRN CCS(=O)(=O)N(CC(=O)N1CCC(C(N)=O)CC1)c1ccc2c(c1)OCO2 ZINC000014397096 570882697 /nfs/dbraw/zinc/88/26/97/570882697.db2.gz QUEIXMFJLUWOSQ-UHFFFAOYSA-N 0 0 397.453 0.295 40 0 GCABRN O=C(OC[C@H](O)[C@@H](O)[C@@H](O)[C@@H](O)COC(=O)c1ccccc1)c1ccccc1 ZINC000014586317 570892206 /nfs/dbraw/zinc/89/22/06/570892206.db2.gz LDFVROHMRYBVGB-XLAORIBOSA-N 0 0 390.388 0.144 40 0 GCABRN COCCOc1ccc(C(=O)N2CC[C@@]3(NC(C)=O)C[N@H+](C)C[C@H]3C2)cc1 ZINC000019712999 570899009 /nfs/dbraw/zinc/89/90/09/570899009.db2.gz NFQHMATUSOHEJI-FXAWDEMLSA-N 0 0 375.469 0.994 40 0 GCABRN Cc1noc(CC(=O)N2CCC[C@]3(CC(C(=O)NCc4cccnc4)=NO3)C2)n1 ZINC000585101307 570926766 /nfs/dbraw/zinc/92/67/66/570926766.db2.gz XDZGVUXQGZAWGS-IBGZPJMESA-N 0 0 398.423 0.769 40 0 GCABRN COc1ccc(S(=O)(=O)NCc2cc(=O)[nH]c(N3CCCC3)n2)cc1F ZINC000019559644 570927901 /nfs/dbraw/zinc/92/79/01/570927901.db2.gz CWAWDKAEKIEOEE-UHFFFAOYSA-N 0 0 382.417 0.996 40 0 GCABRN COc1ccc(F)cc1S(=O)(=O)NCc1cc(=O)[nH]c(N2CCCC2)n1 ZINC000019561764 570927921 /nfs/dbraw/zinc/92/79/21/570927921.db2.gz VARQJCQFYVVQQK-UHFFFAOYSA-N 0 0 382.417 0.996 40 0 GCABRN O=S(=O)(c1ccccn1)N1CCC2(CO[C@H](CN3CCOCC3)C2)CC1 ZINC000585104092 570930151 /nfs/dbraw/zinc/93/01/51/570930151.db2.gz LKQLAOXPIAUYNS-INIZCTEOSA-N 0 0 381.498 0.974 40 0 GCABRN Cn1ccc(CC(=O)N2CC[C@H]3O[C@@H](C(=O)NCc4ccccn4)CC[C@H]32)n1 ZINC000585108701 570940688 /nfs/dbraw/zinc/94/06/88/570940688.db2.gz DBJOEFGDJNEAJI-KZNAEPCWSA-N 0 0 383.452 0.823 40 0 GCABRN CN1CCN(CC(=O)NC[C@@H]2OCCc3cn(Cc4ccccc4)nc32)CC1 ZINC000585111975 570942310 /nfs/dbraw/zinc/94/23/10/570942310.db2.gz JRCMYTFKVVZEAL-IBGZPJMESA-N 0 0 383.496 0.909 40 0 GCABRN Cc1cc(C)nc(N2CCc3oc(C(=O)NC[C@H]4CN(C)CCO4)nc3C2)n1 ZINC000585111613 570942456 /nfs/dbraw/zinc/94/24/56/570942456.db2.gz DNZXPWQGCYXALA-AWEZNQCLSA-N 0 0 386.456 0.705 40 0 GCABRN O=C(NCC[C@@H]1CN(S(=O)(=O)C2CC2)Cc2ccnn21)c1cnccn1 ZINC000585112457 570942732 /nfs/dbraw/zinc/94/27/32/570942732.db2.gz QWSZTWJTOLFZES-GFCCVEGCSA-N 0 0 376.442 0.342 40 0 GCABRN CC(=O)N1CCCC[C@H]1c1ncc2c(n1)CCN(C(=O)[C@@H]1CC(=O)N(C)C1)C2 ZINC000019017285 570954533 /nfs/dbraw/zinc/95/45/33/570954533.db2.gz XTCSJJIFTXWVDF-PBHICJAKSA-N 0 0 385.468 0.913 40 0 GCABRN Cc1ccc2c(c1)C(=O)NCC1(CCN(C(=O)[C@H]3CCS(=O)(=O)C3)CC1)O2 ZINC000019219103 570962856 /nfs/dbraw/zinc/96/28/56/570962856.db2.gz KGFAFHQTOKGVGV-AWEZNQCLSA-N 0 0 392.477 0.913 40 0 GCABRN COc1nn(CC(=O)N2CCc3nc(C)[nH]c(=O)c3CC2)c(=O)c2ccccc21 ZINC000019286405 570969687 /nfs/dbraw/zinc/96/96/87/570969687.db2.gz RGXSCLHETXXLIT-UHFFFAOYSA-N 0 0 395.419 0.424 40 0 GCABRN O=C(Cn1nc2n(c1=O)-c1ccccc1C1=NCCN21)NCCc1ccccc1 ZINC000019371374 570981140 /nfs/dbraw/zinc/98/11/40/570981140.db2.gz OCDKUJHPOAVBCV-UHFFFAOYSA-N 0 0 388.431 0.973 40 0 GCABRN CCCCOC(=S)N[C@@H]1OC[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000017466584 570984712 /nfs/dbraw/zinc/98/47/12/570984712.db2.gz JAMUNSUIXBIERM-LJISPDSOSA-N 0 0 391.442 0.829 40 0 GCABRN CCCC(=O)N1CCC[C@@H](c2nc3c(c(=O)[nH]2)CN(S(C)(=O)=O)CC3)C1 ZINC000019501320 570992864 /nfs/dbraw/zinc/99/28/64/570992864.db2.gz KLMPEXOTCITNPH-GFCCVEGCSA-N 0 0 382.486 0.594 40 0 GCABRN CCN1C[C@@H](C(=O)N2CCc3nc([C@H]4CCCN(C(C)=O)C4)ncc3C2)CC1=O ZINC000019526955 570997614 /nfs/dbraw/zinc/99/76/14/570997614.db2.gz CEONYOGCFGHFNX-HOTGVXAUSA-N 0 0 399.495 0.956 40 0 GCABRN COc1ccc2c(c1)OC1(CCN(C(=O)CN3CC(=O)NC3=O)CC1)CC2=O ZINC000019562954 571006509 /nfs/dbraw/zinc/00/65/09/571006509.db2.gz ZLEWEGJFAPADER-UHFFFAOYSA-N 0 0 387.392 0.573 40 0 GCABRN CS(=O)(=O)N1CCc2nc([C@H]3CCCN(C(=O)C4CC4)C3)[nH]c(=O)c2C1 ZINC000019572660 571010567 /nfs/dbraw/zinc/01/05/67/571010567.db2.gz TVHZNLGJQWDIEU-LBPRGKRZSA-N 0 0 380.470 0.204 40 0 GCABRN CS(=O)(=O)N1CCc2c(nc([C@H]3CCCCN3C(=O)C3CC3)[nH]c2=O)C1 ZINC000019572832 571010719 /nfs/dbraw/zinc/01/07/19/571010719.db2.gz QHMGXTFACZKLGC-CQSZACIVSA-N 0 0 380.470 0.551 40 0 GCABRN CNc1nc(C2CCN(C(C)=O)CC2)nc2c1CN(C(=O)C(C)(C)O)CC2 ZINC000019711486 571035625 /nfs/dbraw/zinc/03/56/25/571035625.db2.gz QRRHGRVPECPJFI-UHFFFAOYSA-N 0 0 375.473 0.900 40 0 GCABRN CC(C)[C@@H](CO)Nc1nc(NCCN2CCOCC2)cc(C(F)(F)F)n1 ZINC000328969479 571047913 /nfs/dbraw/zinc/04/79/13/571047913.db2.gz DEOATNMPXMNNIG-GFCCVEGCSA-N 0 0 377.411 0.512 40 0 GCABRN CC(C)(C)OC(=O)N=C(N)NOCC[C@H](NC(=O)OC(C)(C)C)C(N)=O ZINC001772714963 1187715826 /nfs/dbraw/zinc/71/58/26/1187715826.db2.gz USNCFBSRUSQHQU-VIFPVBQESA-N 0 0 375.426 0.736 40 0 GCABRN NC(=O)C[C@@]1(COc2ccc(F)cc2)CN(C(=O)c2csc(N)n2)CCO1 ZINC000585285279 1189785849 /nfs/dbraw/zinc/78/58/49/1189785849.db2.gz WWIMEQGNVSEPFU-KRWDZBQOSA-N 0 0 394.428 1.030 40 0 GCABRN O=C1Nc2ccccc2N=C(c2ccccc2)/C1=C/[C@H](O)[C@H](O)[C@H](O)[C@H](O)CO ZINC000008893940 1199235861 /nfs/dbraw/zinc/23/58/61/1199235861.db2.gz JWDROEPTMKFOIT-BJDMNJBUSA-N 0 0 398.415 0.122 40 0 GCABRN CC(=O)N[C@H]1[C@@H](OC(C)=O)[C@H](O)[C@@H](CO)O[C@H]1Oc1cccc2ccccc21 ZINC000242425494 1199664637 /nfs/dbraw/zinc/66/46/37/1199664637.db2.gz BLLDREJCXJOWEZ-USYVTKNRSA-N 0 0 389.404 0.733 40 0 GCABRN CC(=O)N[C@@H]1[C@@H](OC(C)=O)[C@H](O)[C@H](CO)O[C@H]1Oc1cccc2ccccc21 ZINC000216307824 1199953963 /nfs/dbraw/zinc/95/39/63/1199953963.db2.gz BLLDREJCXJOWEZ-OMQSBVIBSA-N 0 0 389.404 0.733 40 0 GCABRN Cc1ccc(C2=NN[C@@H]([C@@](C)(O)[C@](C)(O)[C@](C)(O)[C@](C)(O)CO)S2)cc1 ZINC000006204418 230843937 /nfs/dbraw/zinc/84/39/37/230843937.db2.gz MMIZAZUVAUSVMY-ZKXLYKBJSA-N 0 0 384.498 0.315 40 0 GCABRN CCS(=O)(=O)N(CC(=O)NC[C@@H]1CCCO1)c1ccc2c(c1)OCCO2 ZINC000014399283 230888906 /nfs/dbraw/zinc/88/89/06/230888906.db2.gz OEDYSZMIHHBNGS-AWEZNQCLSA-N 0 0 384.454 0.909 40 0 GCABRN COC[C@@H](C)NS(=O)(=O)c1ccc(O[C@@H](C)C(=O)N2CCOCC2)cc1 ZINC000408610766 231080192 /nfs/dbraw/zinc/08/01/92/231080192.db2.gz VRVUTVLJESVTFH-KGLIPLIRSA-N 0 0 386.470 0.626 40 0 GCABRN COCCNS(=O)(=O)c1ccc(OCC(=O)NCc2ccncc2)cc1 ZINC000408608614 231078173 /nfs/dbraw/zinc/07/81/73/231078173.db2.gz RPEFBZLNNXJFDS-UHFFFAOYSA-N 0 0 379.438 0.702 40 0 GCABRN C[C@H](C(=O)NC[C@H]1CCCO1)N(c1ccc2c(c1)OCCO2)S(C)(=O)=O ZINC000408704616 231099743 /nfs/dbraw/zinc/09/97/43/231099743.db2.gz QOJULVVEMVXUMF-TZMCWYRMSA-N 0 0 384.454 0.908 40 0 GCABRN COCCNC(=O)c1cc(S(=O)(=O)N2CCC(C(N)=O)CC2)ccc1C ZINC000408622124 231084075 /nfs/dbraw/zinc/08/40/75/231084075.db2.gz MOGXKFOJMDJXSJ-UHFFFAOYSA-N 0 0 383.470 0.257 40 0 GCABRN CN(C)S(=O)(=O)N(CC(=O)NCCCN1CCOCC1)c1ccccc1 ZINC000408622754 231084647 /nfs/dbraw/zinc/08/46/47/231084647.db2.gz QZOOYYCIJLVHAH-UHFFFAOYSA-N 0 0 384.502 0.138 40 0 GCABRN Cc1sc2[nH]c(SCC(=O)Nc3c[nH]c(=O)[nH]c3=O)nc(=O)c2c1C ZINC000035311663 530121039 /nfs/dbraw/zinc/12/10/39/530121039.db2.gz PWSZMIBDRZHPJY-UHFFFAOYSA-N 0 0 379.423 0.709 40 0 GCABRN COC(=O)CN(C(=O)COc1ccc(Cl)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000032641253 530167629 /nfs/dbraw/zinc/16/76/29/530167629.db2.gz SHAZCTLEUYCYFW-GFCCVEGCSA-N 0 0 375.830 0.908 40 0 GCABRN CCS(=O)(=O)N1C[C@@H]2c3nc(N4CCCC4)ncc3CS(=O)(=O)[C@@H]2C1 ZINC000096251961 530242605 /nfs/dbraw/zinc/24/26/05/530242605.db2.gz FTXZBCZIQSYOBT-QWHCGFSZSA-N 0 0 386.499 0.123 40 0 GCABRN CC(C)N1CCN(S(=O)(=O)c2cncc(Br)c2NN)CC1 ZINC000072210932 530254995 /nfs/dbraw/zinc/25/49/95/530254995.db2.gz XKSWQMRPLAECDU-UHFFFAOYSA-N 0 0 378.296 0.844 40 0 GCABRN O=C(CO[C@@H]1CCOC2(CN(S(=O)(=O)C(F)(F)F)C2)C1)N1CCCC1 ZINC000575406640 530303968 /nfs/dbraw/zinc/30/39/68/530303968.db2.gz ZFRMGDAGZVTQFP-LLVKDONJSA-N 0 0 386.392 0.708 40 0 GCABRN CC(=O)N[C@H]1[C@H](O)[C@H](O)[C@H](CO)O[C@@H]1OCc1ccc(Cl)cc1Cl ZINC000004906368 530447053 /nfs/dbraw/zinc/44/70/53/530447053.db2.gz CIHDSPCYFDFWRF-RMEBNNNOSA-N 0 0 380.224 0.454 40 0 GCABRN CCS(=O)(=O)N(C)CC(=O)NCCSc1n[nH]c(-c2ccccc2)n1 ZINC000225957984 530508279 /nfs/dbraw/zinc/50/82/79/530508279.db2.gz HMWMEJYMSUQPDA-UHFFFAOYSA-N 0 0 383.499 0.962 40 0 GCABRN O=S(=O)(c1ccc(Br)cc1)N(CCO)[C@H]1CCS(=O)(=O)C1 ZINC000040693026 530508527 /nfs/dbraw/zinc/50/85/27/530508527.db2.gz OMSAJDXMGVUJOB-NSHDSACASA-N 0 0 398.300 0.619 40 0 GCABRN COc1ccc(NC(C)=O)cc1S(=O)(=O)N[C@@]1(C)CCS(=O)(=O)C1 ZINC000047031754 530575206 /nfs/dbraw/zinc/57/52/06/530575206.db2.gz DXPAJYKMOLCAPG-AWEZNQCLSA-N 0 0 376.456 0.509 40 0 GCABRN CN([C@@H]1CS(=O)(=O)C[C@H]1O)S(=O)(=O)c1ccc(Br)cc1 ZINC000575421075 530687775 /nfs/dbraw/zinc/68/77/75/530687775.db2.gz HNFZVNVHSITITM-GHMZBOCLSA-N 0 0 384.273 0.228 40 0 GCABRN O=S(=O)(c1ccccc1)N(c1cccc(O)c1)[C@H]1CS(=O)(=O)C[C@H]1O ZINC000575423755 530688634 /nfs/dbraw/zinc/68/86/34/530688634.db2.gz QCHTYNOVFKFDHI-JKSUJKDBSA-N 0 0 383.447 0.745 40 0 GCABRN CN(C)N([C@H]1CS(=O)(=O)C[C@@H]1O)S(=O)(=O)c1ccc2ccccc2c1 ZINC000575425567 530689057 /nfs/dbraw/zinc/68/90/57/530689057.db2.gz ZYYCHSRPZONJLK-HOTGVXAUSA-N 0 0 384.479 0.465 40 0 GCABRN Cc1ccc(C(=O)[O-])cc1S(=O)(=O)NCC[NH2+][C@@]1(C)CCS(=O)(=O)C1 ZINC000575426689 530689707 /nfs/dbraw/zinc/68/97/07/530689707.db2.gz YHQGYJLGIIRTFS-HNNXBMFYSA-N 0 0 390.483 0.138 40 0 GCABRN Cc1ccc(Cl)cc1S(=O)(=O)N([C@@H]1CS(=O)(=O)C[C@@H]1O)N(C)C ZINC000575426294 530690273 /nfs/dbraw/zinc/69/02/73/530690273.db2.gz QRPUKAJQBVUYNY-NEPJUHHUSA-N 0 0 382.891 0.274 40 0 GCABRN CCS(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccc(S(N)(=O)=O)cc2)C1 ZINC000010302427 530778096 /nfs/dbraw/zinc/77/80/96/530778096.db2.gz CHLXNBPIHNJHQN-LLVKDONJSA-N 0 0 375.472 0.334 40 0 GCABRN Cc1noc(C)c1CC(=O)N1CC[C@@H](c2ccc3c(=O)n(C)c(=O)n(C)c3n2)C1 ZINC000257278898 222768140 /nfs/dbraw/zinc/76/81/40/222768140.db2.gz OECQUQXOAIXFOD-CYBMUJFWSA-N 0 0 397.435 0.796 40 0 GCABRN CC(C)(C)CNC(=O)c1cn2c(nc1=O)[C@@]1(CC2)CCN(S(C)(=O)=O)C1 ZINC000306125938 222794662 /nfs/dbraw/zinc/79/46/62/222794662.db2.gz DGNMAUMLDXUADH-KRWDZBQOSA-N 0 0 382.486 0.326 40 0 GCABRN Cc1cccc(C(=O)N2C[C@@H]3c4nn(CC5CCC5)c(=O)c(=O)n4C[C@@H]3C2)n1 ZINC000306133348 222798028 /nfs/dbraw/zinc/79/80/28/222798028.db2.gz MJFFDINYFYMWKH-GJZGRUSLSA-N 0 0 381.436 0.778 40 0 GCABRN CCOC(=O)[C@H]1CS[C@@H](CC(=O)Nc2ccc(C(=O)OC)cc2)C(=O)N1 ZINC000000851188 206327851 /nfs/dbraw/zinc/32/78/51/206327851.db2.gz MPWLVKLYSAQSJO-OLZOCXBDSA-N 0 0 380.422 0.965 40 0 GCABRN CCOC(=O)[C@H]1CS[C@H](CC(=O)Nc2ccc(C(=O)OC)cc2)C(=O)N1 ZINC000000851190 206328199 /nfs/dbraw/zinc/32/81/99/206328199.db2.gz MPWLVKLYSAQSJO-CHWSQXEVSA-N 0 0 380.422 0.965 40 0 GCABRN CC(=O)OC[C@@H]1O[C@@H]2O[C@](C)(OC(C)C)O[C@H]2[C@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000005440060 206612600 /nfs/dbraw/zinc/61/26/00/206612600.db2.gz JCJBPCYHIVDESZ-JXMXSTLTSA-N 0 0 390.385 0.652 40 0 GCABRN [NH3+][C@@H](CCCCn1cccc2nc(NCCC[C@H]([NH3+])C(=O)[O-])nc1-2)C(=O)[O-] ZINC000006093727 206638700 /nfs/dbraw/zinc/63/87/00/206638700.db2.gz AYEKKSTZQYEZPU-RYUDHWBXSA-N 0 0 378.433 0.569 40 0 endogenous,in-man GCABRN COc1ccc(CN2CCN(C3=NO[C@H]4CN(S(C)(=O)=O)C[C@@H]34)CC2)cc1 ZINC000306139795 209106265 /nfs/dbraw/zinc/10/62/65/209106265.db2.gz UAUZORUDDGRWBU-SJORKVTESA-N 0 0 394.497 0.417 40 0 GCABRN COc1ccc(CN2CCN(C3=NO[C@@H]4CN(S(C)(=O)=O)C[C@H]34)CC2)cc1 ZINC000306139792 209106148 /nfs/dbraw/zinc/10/61/48/209106148.db2.gz UAUZORUDDGRWBU-DLBZAZTESA-N 0 0 394.497 0.417 40 0 GCABRN COCCN1CC[C@]2(CN(C(=O)c3ccnn3C)C[C@H]2c2cn(C)cn2)C1=O ZINC000306141036 209106133 /nfs/dbraw/zinc/10/61/33/209106133.db2.gz VJNRHNGWHLYVKE-IFXJQAMLSA-N 0 0 386.456 0.258 40 0 GCABRN CC(=O)N1CCc2nc([C@H]3CCCN(C(=O)C4=NNC(=O)CC4)C3)ncc2C1 ZINC000019018309 207099366 /nfs/dbraw/zinc/09/93/66/207099366.db2.gz VPVZERZHNMUJAV-ZDUSSCGKSA-N 0 0 384.440 0.353 40 0 GCABRN CC(=O)N1CCC[C@H](c2ncc3c(n2)CCN(C(=O)[C@H]2CC(=O)N(C)C2)C3)C1 ZINC000019017051 207100160 /nfs/dbraw/zinc/10/01/60/207100160.db2.gz YGVIMQJHCQUJLV-GJZGRUSLSA-N 0 0 385.468 0.566 40 0 GCABRN O=C(CCN1C(=O)N[C@@H]2NC(=O)N[C@@H]21)N1CCC(Oc2ccccc2F)CC1 ZINC000019350124 207118250 /nfs/dbraw/zinc/11/82/50/207118250.db2.gz XIHKNPBTLGYGON-JKSUJKDBSA-N 0 0 391.403 0.576 40 0 GCABRN CCC(=O)N1CCCC[C@@H]1c1nc2c(c(=O)[nH]1)CCN(S(=O)(=O)CC)C2 ZINC000019498849 207125315 /nfs/dbraw/zinc/12/53/15/207125315.db2.gz KQFPLMBLPNMRTQ-CQSZACIVSA-N 0 0 382.486 0.941 40 0 GCABRN CC[C@@H](C)C(=O)N1CC[C@@H](c2nc3c(c(=O)[nH]2)CCN(S(C)(=O)=O)C3)C1 ZINC000019499774 207127516 /nfs/dbraw/zinc/12/75/16/207127516.db2.gz BGCRWMUPQJQBLW-VXGBXAGGSA-N 0 0 382.486 0.450 40 0 GCABRN CCN1C[C@@H](C(=O)N2CCC(c3ncc4c(n3)CCN(C(C)=O)C4)CC2)CC1=O ZINC000019526873 207129573 /nfs/dbraw/zinc/12/95/73/207129573.db2.gz GFQUUEDYRSBZCX-INIZCTEOSA-N 0 0 399.495 0.956 40 0 GCABRN Cc1cc(C)n(CCC(=O)N2CC(=O)N(CCc3ccccc3)C(=O)C2)c(=O)n1 ZINC000019572466 207137463 /nfs/dbraw/zinc/13/74/63/207137463.db2.gz SHXQQZSPXPZRRN-UHFFFAOYSA-N 0 0 396.447 0.690 40 0 GCABRN CN1CCN(c2nc(CNC(=O)[C@@H]3OCCc4ccccc43)cc(=O)[nH]2)CC1 ZINC000019590110 207141956 /nfs/dbraw/zinc/14/19/56/207141956.db2.gz JJRZREBWOLZBDW-GOSISDBHSA-N 0 0 383.452 0.864 40 0 GCABRN COC(=O)C1CCN(C(=O)Cn2nc(-c3cccs3)cc(N)c2=O)CC1 ZINC000019592473 207144347 /nfs/dbraw/zinc/14/43/47/207144347.db2.gz GJBDKLSANQWXBY-UHFFFAOYSA-N 0 0 376.438 0.966 40 0 GCABRN Cc1cc(C(=O)NC[C@H](C(C)C)N2CCOCC2)c2c(=O)[nH]c(=O)n(C)c2n1 ZINC000019716341 207154401 /nfs/dbraw/zinc/15/44/01/207154401.db2.gz MYQMZWODRHDGGU-CQSZACIVSA-N 0 0 389.456 0.017 40 0 GCABRN CNc1cc(CN(C)C(C)=O)nc([C@@H]2CCCN2S(=O)(=O)N2CCCC2)n1 ZINC000019759263 207159879 /nfs/dbraw/zinc/15/98/79/207159879.db2.gz UIXSMXLSGKBGDR-HNNXBMFYSA-N 0 0 396.517 0.974 40 0 GCABRN Cc1cc(C)n(CC(=O)N2CCC[C@@H]2c2nc3c(c(C)n2)CC(=O)N3C)c(=O)n1 ZINC000019744330 207157305 /nfs/dbraw/zinc/15/73/05/207157305.db2.gz GMHZPEOWLFRDOY-OAHLLOKOSA-N 0 0 396.451 0.841 40 0 GCABRN CNC(=O)c1cc([C@H]2CN(S(=O)(=O)N(C)C)CCO2)nc2ccccc21 ZINC000019762823 207160238 /nfs/dbraw/zinc/16/02/38/207160238.db2.gz CMBVVEMEJGECPG-MRXNPFEDSA-N 0 0 378.454 0.774 40 0 GCABRN CNC(=O)c1cc([C@H]2CN(CC(=O)NCCOC)CCO2)nc2ccccc21 ZINC000019762429 207160985 /nfs/dbraw/zinc/16/09/85/207160985.db2.gz JPYVLPRUJYONKP-GOSISDBHSA-N 0 0 386.452 0.730 40 0 GCABRN Cc1ccc(NC(=O)[C@@H]2CC(=O)Nc3nc(N4CCOCC4)[nH]c(=O)c32)cc1 ZINC000020674149 207210713 /nfs/dbraw/zinc/21/07/13/207210713.db2.gz NRLWOXKVGZEQKF-CYBMUJFWSA-N 0 0 383.408 0.979 40 0 GCABRN CCN(CC)C(=O)C(=O)NCCc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000022228509 207249542 /nfs/dbraw/zinc/24/95/42/207249542.db2.gz MEMPGKGNXCEAEV-UHFFFAOYSA-N 0 0 381.498 0.998 40 0 GCABRN CCN(CC)S(=O)(=O)c1ccc(CCNC(=O)C(=O)NCCCOC)cc1 ZINC000022228229 207249616 /nfs/dbraw/zinc/24/96/16/207249616.db2.gz REMZUUWRSCLQPK-UHFFFAOYSA-N 0 0 399.513 0.529 40 0 GCABRN CC(C)CNC(=O)C(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000022228093 207249660 /nfs/dbraw/zinc/24/96/60/207249660.db2.gz HCMVACLACREJKF-UHFFFAOYSA-N 0 0 383.470 0.096 40 0 GCABRN CCN(CC)S(=O)(=O)c1ccc(CCNC(=O)C(=O)N2CCCC2)cc1 ZINC000022228538 207250000 /nfs/dbraw/zinc/25/00/00/207250000.db2.gz DUCVOWBCHUFISJ-UHFFFAOYSA-N 0 0 381.498 0.998 40 0 GCABRN C[C@@H](O)[C@H]1C(=O)N2C(C(=O)OC[C@H]3OC(=O)O[C@@H]3C)=C([C@H]3CCCO3)S[C@H]12 ZINC000026892076 207321303 /nfs/dbraw/zinc/32/13/03/207321303.db2.gz MVHHCXACTDXCAC-VCSZRNDBSA-N 0 0 399.421 0.756 40 0 GCABRN COC(=O)CN1C(=O)[C@H]2[C@H]3C[C@H](C4=Cc5sc(=O)[nH]c5S[C@H]43)[C@@H]2C1=O ZINC000032597827 207399286 /nfs/dbraw/zinc/39/92/86/207399286.db2.gz FPRPJYTYDKSJPK-NEEMSWFVSA-N 0 0 378.431 0.718 40 0 GCABRN CC(C)NC(=O)CCn1c2nnc(SCC(N)=O)n2c2ccccc2c1=O ZINC000033292013 207450451 /nfs/dbraw/zinc/45/04/51/207450451.db2.gz VAFXGQHRHVEJOC-UHFFFAOYSA-N 0 0 388.453 0.536 40 0 GCABRN OC[C@H]1O[C@H](Oc2cccc3cc(Br)ccc32)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000071792251 207961725 /nfs/dbraw/zinc/96/17/25/207961725.db2.gz TUKFMAZUSUKHIY-OWYFMNJBSA-N 0 0 385.210 0.781 40 0 GCABRN CCN1C[C@@]2(CC1=O)CN(C(=O)C1CCOCC1)CCN(C(=O)N(C)C)C2 ZINC000096036247 208252310 /nfs/dbraw/zinc/25/23/10/208252310.db2.gz NPZJAOIFCLHTBH-IBGZPJMESA-N 0 0 380.489 0.477 40 0 GCABRN O=C([C@H]1CN(S(=O)(=O)c2ccccc2)CC12CCOCC2)N1CCOCC1 ZINC000096052227 208256704 /nfs/dbraw/zinc/25/67/04/208256704.db2.gz ZCCZPIBUOZONRU-QGZVFWFLSA-N 0 0 394.493 0.963 40 0 GCABRN Cn1cc(C(=O)NCc2cc(=O)n3c(n2)CN(Cc2cccnc2)CCC3)cn1 ZINC000096059661 208259436 /nfs/dbraw/zinc/25/94/36/208259436.db2.gz SFTJTONWOBHRSL-UHFFFAOYSA-N 0 0 393.451 0.708 40 0 GCABRN CCS(=O)(=O)N1C[C@@H]2c3nc(NCC4CC4)ncc3CS(=O)(=O)[C@@H]2C1 ZINC000096083422 208262318 /nfs/dbraw/zinc/26/23/18/208262318.db2.gz ZPMWTLJLNRDRJY-QWHCGFSZSA-N 0 0 386.499 0.344 40 0 GCABRN CC(C)NC(=O)[C@H]1Cn2ccnc2C2(CCN(S(=O)(=O)C3CC3)CC2)O1 ZINC000096243678 208293466 /nfs/dbraw/zinc/29/34/66/208293466.db2.gz JTKKZVXPSQJYBS-CQSZACIVSA-N 0 0 382.486 0.590 40 0 GCABRN CCC(=O)N1CCC2(CC1)O[C@@H](C(=O)NCc1cnc(C)cn1)Cn1ccnc12 ZINC000096243845 208294057 /nfs/dbraw/zinc/29/40/57/208294057.db2.gz TXCGTEWOJKATPR-MRXNPFEDSA-N 0 0 398.467 0.924 40 0 GCABRN O=C(c1ccno1)N1C[C@@H]2c3nc(NCC4CC4)ncc3CS(=O)(=O)[C@@H]2C1 ZINC000096251927 208296518 /nfs/dbraw/zinc/29/65/18/208296518.db2.gz COKOMHXBTYRPHB-GXTWGEPZSA-N 0 0 389.437 0.823 40 0 GCABRN COc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)NCCN1CCOCC1 ZINC000408703922 533044887 /nfs/dbraw/zinc/04/48/87/533044887.db2.gz VZZWXXHIHAERAS-UHFFFAOYSA-N 0 0 397.497 0.542 40 0 GCABRN Cn1nc(C(=O)N2CCN(C(=O)c3ccco3)CC2)c2c1CCS(=O)(=O)C2 ZINC000041070319 208382631 /nfs/dbraw/zinc/38/26/31/208382631.db2.gz YUWAPBNMYOJGKF-UHFFFAOYSA-N 0 0 392.437 0.082 40 0 GCABRN Cn1ccc(C(=O)N2CC[C@@]3(C2)CCn2ncnc2[C@H]3NC(=O)C2CCC2)n1 ZINC000306136984 209104342 /nfs/dbraw/zinc/10/43/42/209104342.db2.gz QIGGPULQUNOJSM-BEFAXECRSA-N 0 0 383.456 0.905 40 0 GCABRN Cc1cc(C(=O)N2CCO[C@H](Cn3nnc4c3ncnc4N3CCCC3)C2)no1 ZINC000306131398 209102752 /nfs/dbraw/zinc/10/27/52/209102752.db2.gz KDJCONBQWLVCII-ZDUSSCGKSA-N 0 0 398.427 0.659 40 0 GCABRN CNC(=O)[C@H]1[C@H]2C=C[C@]3(O2)[C@@H]1C(=O)N(C1CC1)[C@@H]3C(=O)NCc1ccc(F)cc1 ZINC000005000471 208720790 /nfs/dbraw/zinc/72/07/90/208720790.db2.gz ZDLFAXSVZWDOTC-FMWYQGOYSA-N 0 0 399.422 0.501 40 0 GCABRN Cn1cc(-c2cnc3c(N4CCN(C(=O)c5ccnn5C)CC4)nccn23)cn1 ZINC000306132622 209101898 /nfs/dbraw/zinc/10/18/98/209101898.db2.gz LNYVYJBJTHMVNJ-UHFFFAOYSA-N 0 0 391.439 0.826 40 0 GCABRN CS(=O)(=O)N1CC[C@H]2ON=C(N3CCN(Cc4ccccc4)CC3)[C@H]2C1 ZINC000306130934 209100414 /nfs/dbraw/zinc/10/04/14/209100414.db2.gz JSVJBRRUNYZQTG-DLBZAZTESA-N 0 0 378.498 0.798 40 0 GCABRN CS(=O)(=O)N1CC[C@H]2ON=C(N3CCN(Cc4ccccc4)CC3)[C@@H]2C1 ZINC000306130935 209098713 /nfs/dbraw/zinc/09/87/13/209098713.db2.gz JSVJBRRUNYZQTG-IAGOWNOFSA-N 0 0 378.498 0.798 40 0 GCABRN CCC[C@@H](C)NC(=O)COC(=O)[C@@H](C)NC1=NS(=O)(=O)c2ccccc21 ZINC000032691718 208987395 /nfs/dbraw/zinc/98/73/95/208987395.db2.gz AXLFJQISEBCARE-VXGBXAGGSA-N 0 0 381.454 0.962 40 0 GCABRN COc1cc(N2Cc3ccnn3[C@@H](CCNS(=O)(=O)C3CC3)C2)ncn1 ZINC000306125312 209097798 /nfs/dbraw/zinc/09/77/98/209097798.db2.gz CMGNATMEVUKSGC-ZDUSSCGKSA-N 0 0 378.458 0.715 40 0 GCABRN COc1ccc(Cn2cc(CC(=O)N3C[C@]4(F)CNC(=O)[C@]4(F)C3)cn2)cc1 ZINC000306124453 209096785 /nfs/dbraw/zinc/09/67/85/209096785.db2.gz BQCCRUUTAUASFH-RTBURBONSA-N 0 0 390.390 0.871 40 0 GCABRN O=C(N[C@H]1CO[C@H]2[C@@H]1OC[C@@H]2n1nnnc1Oc1ccccc1)c1cncnc1 ZINC000004200780 220694010 /nfs/dbraw/zinc/69/40/10/220694010.db2.gz MOTNMKNTVPYPTC-CAOSSQGBSA-N 0 0 395.379 0.393 40 0 biogenic,in-vitro GCABRN Cn1cccc1C(=O)N1CC2(C1)[C@@H](COc1ncccn1)CCS2(=O)=O ZINC000248101840 209028892 /nfs/dbraw/zinc/02/88/92/209028892.db2.gz DYVZZMQDFXNDER-CYBMUJFWSA-N 0 0 376.438 0.523 40 0 GCABRN COC(=O)[C@@H](NC(=O)Cc1ccccc1)[C@@H]1N[C@H](C(=O)OC)C(C)(C)S1 ZINC000096592330 209016104 /nfs/dbraw/zinc/01/61/04/209016104.db2.gz FPWXVXUCFHACJJ-RRFJBIMHSA-N 0 0 380.466 0.870 40 0 GCABRN CC1=C(C(N)=O)CC2(CCN(C(=O)c3ccc(S(N)(=O)=O)cc3)CC2)O1 ZINC000257261282 209061589 /nfs/dbraw/zinc/06/15/89/209061589.db2.gz LGOCLORYBVHHCH-UHFFFAOYSA-N 0 0 379.438 0.488 40 0 GCABRN CNC(=O)[C@@H]1CN(C(=O)Cn2nc(C(F)(F)F)cc2C)CCN1C(C)C ZINC000257199861 209053291 /nfs/dbraw/zinc/05/32/91/209053291.db2.gz ABBPLIMIDYXVFS-LBPRGKRZSA-N 0 0 375.395 0.878 40 0 GCABRN Cn1c(=O)c2ccc([C@@H]3CCN(C(=O)Cc4ccccn4)C3)nc2n(C)c1=O ZINC000257205506 209056410 /nfs/dbraw/zinc/05/64/10/209056410.db2.gz AZJUEHHYSCBQAJ-CYBMUJFWSA-N 0 0 379.420 0.586 40 0 GCABRN Cc1nc2cc(CCC(=O)N[C@@H]3CCC[C@@H](N4CCNC(=O)C4)[C@@H]3O)ccc2[nH]1 ZINC000257216639 209057847 /nfs/dbraw/zinc/05/78/47/209057847.db2.gz CVMGPSBVDCORBA-HGHGUNKESA-N 0 0 399.495 0.634 40 0 GCABRN CNC(=O)[C@H]1CN(C(=O)CCc2ccnn2C)CCN1CCc1ccccc1 ZINC000257264038 209064219 /nfs/dbraw/zinc/06/42/19/209064219.db2.gz LSPZPTJGVAYRLH-LJQANCHMSA-N 0 0 383.496 0.854 40 0 GCABRN COc1ccc(C(=O)N2CCN(C)CC2)cc1S(=O)(=O)N1CCOCC1 ZINC000009063831 221069351 /nfs/dbraw/zinc/06/93/51/221069351.db2.gz SRXMHHBDTLYNIB-UHFFFAOYSA-N 0 0 383.470 0.104 40 0 GCABRN CO[C@@H](C(=O)N1CCc2nc(N3CCOCC3)[nH]c(=O)c2C1)c1ccccc1 ZINC000012113737 221151840 /nfs/dbraw/zinc/15/18/40/221151840.db2.gz IAEWAKJNCSZJQL-QGZVFWFLSA-N 0 0 384.436 0.879 40 0 GCABRN O=c1[nH]c(N2CCCC2)nc2c1CN(Cc1nnnn1Cc1ccccc1)CC2 ZINC000012113744 221152279 /nfs/dbraw/zinc/15/22/79/221152279.db2.gz RCDMTSUESWIAOM-UHFFFAOYSA-N 0 0 392.467 0.963 40 0 GCABRN Cc1nn(C)cc1[C@@H]1C[C@H](C(=O)NCc2ccc(F)cc2)N(C)S(=O)(=O)N1 ZINC000012131417 221157041 /nfs/dbraw/zinc/15/70/41/221157041.db2.gz JDKVDNFYOFYKKM-JKSUJKDBSA-N 0 0 395.460 0.764 40 0 GCABRN COCCN(CCOC)C(=O)Cn1nc2c3c(C)c(C)sc3ncn2c1=O ZINC000012144869 221158880 /nfs/dbraw/zinc/15/88/80/221158880.db2.gz NJCQNYFBBCEGSM-UHFFFAOYSA-N 0 0 393.469 0.844 40 0 GCABRN COC(=O)[C@@H]1Cc2ncn(Cc3ccc(OC)cc3)c2CN1S(C)(=O)=O ZINC000012530266 221203222 /nfs/dbraw/zinc/20/32/22/221203222.db2.gz UECAUEALPFNCJA-HNNXBMFYSA-N 0 0 379.438 0.799 40 0 biogenic,in-vitro GCABRN COc1cc(C[C@@]2(O)CO[C@H](c3ccc(O)c(OC)c3)[C@@]2(O)CO)ccc1O ZINC000015271292 221333933 /nfs/dbraw/zinc/33/39/33/221333933.db2.gz ZTWZAVCISGQPJH-AQNXPRMDSA-N 0 0 392.404 0.884 40 0 biogenic,in-vitro GCABRN CCNC(=O)N1CCC[C@@H](O)[C@H](NC(=O)c2ccc(OCCOC)cc2)C1 ZINC000015672184 221339363 /nfs/dbraw/zinc/33/93/63/221339363.db2.gz RCOXQMHXIOEHNJ-IAGOWNOFSA-N 0 0 379.457 0.996 40 0 biogenic,in-vitro GCABRN CC1(C)C(=O)NC(=S)N2C(=O)C[C@@H](C(=O)Nc3ccc4c(c3)OCCO4)N21 ZINC000016577149 221364939 /nfs/dbraw/zinc/36/49/39/221364939.db2.gz CRMAYBUUZRFYBT-JTQLQIEISA-N 0 0 390.421 0.819 40 0 GCABRN CCN1C[C@@H](C(=O)N2CCC[C@H]2c2ncc3c(n2)CCN(C(C)=O)C3)CC1=O ZINC000019526921 221421029 /nfs/dbraw/zinc/42/10/29/221421029.db2.gz LCMRPHCCNOZERN-YOEHRIQHSA-N 0 0 385.468 0.913 40 0 GCABRN Cc1nn(C)cc1S(=O)(=O)N1CCN(Cc2ccccc2)[C@H](C(N)=O)C1 ZINC000257297296 209070744 /nfs/dbraw/zinc/07/07/44/209070744.db2.gz RGRHXWXHYHDTFG-HNNXBMFYSA-N 0 0 377.470 0.089 40 0 GCABRN CN(C(=O)CCCc1nc2ccccc2[nH]1)[C@@H]1CC[C@@H](N2CCNC(=O)C2)[C@@H]1O ZINC000257301534 209071650 /nfs/dbraw/zinc/07/16/50/209071650.db2.gz RYWOYLNENMCJRT-CBGDNZLLSA-N 0 0 399.495 0.668 40 0 GCABRN CCS(=O)(=O)N1C[C@H]2N(c3ncccn3)CCC[C@@]2(C(=O)NCC2CC2)C1 ZINC000096251190 136185646 /nfs/dbraw/zinc/18/56/46/136185646.db2.gz GAHHYLPVWLTNLL-CRAIPNDOSA-N 0 0 393.513 0.623 40 0 GCABRN CC(C)CS(=O)(=O)N1C[C@H]2N(c3ncccn3)CCC[C@@]2(C(=O)N(C)C)C1 ZINC000096251177 136185681 /nfs/dbraw/zinc/18/56/81/136185681.db2.gz OGROPFIMSLNQNN-CRAIPNDOSA-N 0 0 395.529 0.821 40 0 GCABRN CCS(=O)(=O)N1CC[C@]2(C1)COCc1c(C)nc(N3CCOCC3)nc12 ZINC000096244617 136185744 /nfs/dbraw/zinc/18/57/44/136185744.db2.gz UNTQGHKVZNWFBJ-KRWDZBQOSA-N 0 0 382.486 0.445 40 0 GCABRN CN1CCN(c2nc(N)nc(N)c2S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000006677880 136195187 /nfs/dbraw/zinc/19/51/87/136195187.db2.gz WLMKWQNZKICNJJ-UHFFFAOYSA-N 0 0 382.877 0.879 40 0 GCABRN CN(C)c1nc(N2CCOCC2)ncc1NC(=O)CNC(=O)c1ccccc1 ZINC000224360993 136207038 /nfs/dbraw/zinc/20/70/38/136207038.db2.gz OKNQNBZLDUGKAZ-UHFFFAOYSA-N 0 0 384.440 0.748 40 0 GCABRN O=C(CCc1nc2ccccc2[nH]1)N[C@@H]1CCC[C@@H](N2CCNC(=O)C2)[C@@H]1O ZINC000257317442 209074845 /nfs/dbraw/zinc/07/48/45/209074845.db2.gz VJTQOXZUXMPQNH-JXXFODFXSA-N 0 0 385.468 0.326 40 0 GCABRN O=C([C@H]1CCC(=O)N1)N1CCN(c2ccc(-c3ccc4c(c3)OCO4)nn2)CC1 ZINC000038488090 221880957 /nfs/dbraw/zinc/88/09/57/221880957.db2.gz XJIMTCHWUMFXCK-OAHLLOKOSA-N 0 0 395.419 0.800 40 0 GCABRN Cc1ccc2cc(C)c3nn(CCNC(=O)[C@H]4CSCC(=O)N4)c(=O)n3c2c1 ZINC000057740211 222036465 /nfs/dbraw/zinc/03/64/65/222036465.db2.gz UMKGTVURFXEPJT-CQSZACIVSA-N 0 0 399.476 0.614 40 0 GCABRN O=C(CN1C(=O)S/C(=C\c2ccccc2)C1=O)N1CCN(CCO)CC1 ZINC000054360901 222013357 /nfs/dbraw/zinc/01/33/57/222013357.db2.gz DRTLSLCFXNLGEZ-QINSGFPZSA-N 0 0 375.450 0.859 40 0 GCABRN CC1(C)CNC(=O)C(C)(C)C(=O)NCC(C)(C)CNC(=O)C(C)(C)C(=O)NC1 ZINC000068604529 222171875 /nfs/dbraw/zinc/17/18/75/222171875.db2.gz WBRKLUPRHLEMMZ-UHFFFAOYSA-N 0 0 396.532 0.570 40 0 GCABRN Cn1ccnc1CN1C(=O)CO[C@H](c2ccc(NS(C)(=O)=O)cc2)[C@H]1CO ZINC000072321494 222225922 /nfs/dbraw/zinc/22/59/22/222225922.db2.gz VNMJAHBJXXHVNM-RHSMWYFYSA-N 0 0 394.453 0.253 40 0 biogenic,in-vitro GCABRN COCCNC(=O)c1cn(C[C@H]2CCCN(C(=O)c3scnc3C)C2)nn1 ZINC000072324231 222227056 /nfs/dbraw/zinc/22/70/56/222227056.db2.gz ZKTBINRJWBOYMV-ZDUSSCGKSA-N 0 0 392.485 0.972 40 0 GCABRN Cc1nonc1CC(=O)N1CCC2(CC1)Nc1ccccc1S(=O)(=O)N2 ZINC000072325714 222227573 /nfs/dbraw/zinc/22/75/73/222227573.db2.gz IYTJXHHSYXRDLH-UHFFFAOYSA-N 0 0 377.426 0.643 40 0 GCABRN Cc1nc2c(c(=O)[nH]1)CCN(C(=O)[C@H]1[C@H]3C=C[C@]4(CN(C(C)C)C(=O)[C@H]14)O3)C2 ZINC000072346564 222232986 /nfs/dbraw/zinc/23/29/86/222232986.db2.gz PLXGPRDBKYTBFE-NARAOEGZSA-N 0 0 384.436 0.153 40 0 GCABRN CNC(=O)c1cnc(C)nc1CCNS(=O)(=O)c1cn(CC(C)C)nc1C ZINC000072352082 222238282 /nfs/dbraw/zinc/23/82/82/222238282.db2.gz BQJVAAQNQDTBIQ-UHFFFAOYSA-N 0 0 394.501 0.827 40 0 GCABRN C[C@]1(O)[C@H](N2CCN(Cc3ccccc3)CC2)O[C@](C)(CO)[C@@](C)(O)[C@]1(C)O ZINC000078547106 222296782 /nfs/dbraw/zinc/29/67/82/222296782.db2.gz XOSLXWLHQVUTQP-YMQHIKHWSA-N 0 0 394.512 0.165 40 0 GCABRN CC(=O)N[C@@H]1[C@@H](OC(C)=O)[C@H](O)[C@@H](COC(C)=O)O[C@@H]1OCc1ccccc1 ZINC000095868310 222361264 /nfs/dbraw/zinc/36/12/64/222361264.db2.gz JSGSXKCPBJLDNJ-NNIGNNQHSA-N 0 0 395.408 0.289 40 0 GCABRN CC(C)NC(=O)N1CCN(C(=O)C2CCOCC2)C[C@@]2(CC(=O)N(C)C2)C1 ZINC000096036127 222373697 /nfs/dbraw/zinc/37/36/97/222373697.db2.gz GYOVWLOYVRJWLX-IBGZPJMESA-N 0 0 380.489 0.524 40 0 GCABRN CC(=O)N1CC(=O)N(c2cnn(C)c2)C[C@]12CCN(C(=O)c1cccs1)C2 ZINC000096050454 222374539 /nfs/dbraw/zinc/37/45/39/222374539.db2.gz YFWBYYPDBPKNQW-GOSISDBHSA-N 0 0 387.465 0.962 40 0 GCABRN Cn1cc(C(=O)NCc2cc(=O)n3c(n2)CN(Cc2nccs2)CCC3)cn1 ZINC000096059657 222376230 /nfs/dbraw/zinc/37/62/30/222376230.db2.gz HZFLNXWCWPDDQZ-UHFFFAOYSA-N 0 0 399.480 0.769 40 0 GCABRN CCS(=O)(=O)N1CCC[C@]2(C(=O)N(C)C)CN(c3ncccn3)C[C@@H]2C1 ZINC000096056117 222376302 /nfs/dbraw/zinc/37/63/02/222376302.db2.gz ADFWMCCULKIBHV-PBHICJAKSA-N 0 0 381.502 0.433 40 0 GCABRN CNC(=O)[C@@]12CCC3(CCN(S(=O)(=O)C4CC4)CC3)[C@@H]1CN(C(C)=O)C2 ZINC000096143772 222387066 /nfs/dbraw/zinc/38/70/66/222387066.db2.gz RRFBUWXVRODXAL-MAUKXSAKSA-N 0 0 383.514 0.565 40 0 GCABRN COc1ccc(CC(=O)N2CCC3(CC2)O[C@@H](C(N)=O)Cn2ccnc23)cc1 ZINC000096144775 222388636 /nfs/dbraw/zinc/38/86/36/222388636.db2.gz TYPXAKYTDDJBRI-MRXNPFEDSA-N 0 0 384.436 0.836 40 0 GCABRN COCCN1[C@]2(CCN(C(=O)N3CCOCC3)C2)c2ccccc2S1(=O)=O ZINC000096261873 222404979 /nfs/dbraw/zinc/40/49/79/222404979.db2.gz PEBUQNMASPGTFL-SFHVURJKSA-N 0 0 395.481 0.691 40 0 GCABRN CN1Cc2c(C(=O)NC[C@@H]3CCCO3)ncn2-c2ccccc2S1(=O)=O ZINC000096266103 222405575 /nfs/dbraw/zinc/40/55/75/222405575.db2.gz COSBBFKOAQZJDV-LBPRGKRZSA-N 0 0 376.438 0.915 40 0 GCABRN CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O[C@H]1CC(=O)NC1=O ZINC000100499312 222459851 /nfs/dbraw/zinc/45/98/51/222459851.db2.gz XOTCDWIBWFJRPL-STQMWFEESA-N 0 0 378.381 0.786 40 0 GCABRN CSCC[C@H](NC(=O)OCc1ccccc1)C(=O)O[C@H]1CC(=O)NC1=O ZINC000100498254 222460134 /nfs/dbraw/zinc/46/01/34/222460134.db2.gz KPKWYAUCEFACGX-STQMWFEESA-N 0 0 380.422 0.993 40 0 GCABRN CC(=O)OC(OC(C)=O)[C@@]12C=C[C@@H](O1)[C@H]1C(=O)N(Cc3ccccn3)C(=O)[C@H]12 ZINC000409277294 527111388 /nfs/dbraw/zinc/11/13/88/527111388.db2.gz AOYCYMOMLKBUFN-CUYVQJCZSA-N 0 0 386.360 0.343 40 0 GCABRN CCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NCCN2CCOCC2)cc1 ZINC000408601383 528583676 /nfs/dbraw/zinc/58/36/76/528583676.db2.gz GFUHPWWKJFQMOV-AWEZNQCLSA-N 0 0 385.486 0.201 40 0 GCABRN CCOC(=O)N1CCN(S(=O)(=O)c2ccc(O[C@@H](C)C(=O)NC)cc2)CC1 ZINC000408606902 528993334 /nfs/dbraw/zinc/99/33/34/528993334.db2.gz PHRNZWJEXJQGHR-ZDUSSCGKSA-N 0 0 399.469 0.663 40 0 GCABRN CCOC(=O)N1CCN(S(=O)(=O)c2ccc(O[C@H](C)C(=O)NC)cc2)CC1 ZINC000408606897 528993772 /nfs/dbraw/zinc/99/37/72/528993772.db2.gz PHRNZWJEXJQGHR-CYBMUJFWSA-N 0 0 399.469 0.663 40 0 GCABRN CC[C@H](C)NS(=O)(=O)c1ccc(OCC(=O)NCCN2CCOCC2)cc1 ZINC000408589884 529181141 /nfs/dbraw/zinc/18/11/41/529181141.db2.gz GHTFSRNILODPHG-HNNXBMFYSA-N 0 0 399.513 0.591 40 0 GCABRN COC(=O)[C@H]1CN(C(=O)[C@@H]2CCCN(S(C)(=O)=O)C2)c2ccccc2O1 ZINC000222557849 536818556 /nfs/dbraw/zinc/81/85/56/536818556.db2.gz XSAAIZSBBFIVNW-IUODEOHRSA-N 0 0 382.438 0.625 40 0 GCABRN O=C(c1cccnc1)N1CC2(C1)CN(C(=O)c1cccnc1)C[C@H]1C[C@@H](O)CN12 ZINC000514290164 560030172 /nfs/dbraw/zinc/03/01/72/560030172.db2.gz UUSFSRGTHVQLSA-QZTJIDSGSA-N 0 0 393.447 0.262 40 0 biogenic,in-vitro GCABRN O=C(c1cccnc1)N1C[C@@H]2C[C@@H](O)CN2C2(CN(Cc3nccs3)C2)C1 ZINC000514290226 560030488 /nfs/dbraw/zinc/03/04/88/560030488.db2.gz VHCFKIIKSVHWBX-JKSUJKDBSA-N 0 0 385.493 0.684 40 0 biogenic,in-vitro GCABRN O=S1(=O)N[C@@H]2CN(Cc3ccc4c(c3)OCO4)C[C@@H]2Oc2ncccc21 ZINC000514289999 560030684 /nfs/dbraw/zinc/03/06/84/560030684.db2.gz QUBBENWSSWQBGZ-DOMZBBRYSA-N 0 0 375.406 0.734 40 0 biogenic,in-vitro GCABRN CC(=O)N1CCN(C[C@@H]2OC[C@H](NC(=O)Nc3ccc(F)cc3F)[C@H]2O)CC1 ZINC000514289445 560032691 /nfs/dbraw/zinc/03/26/91/560032691.db2.gz UMUOIWFUAVJZNX-YESZJQIVSA-N 0 0 398.410 0.379 40 0 biogenic,in-vitro GCABRN CC(C)C(=O)N1C[C@@H]2C[C@@H](O)CN2C2(CN(Cc3ccc4c(c3)OCO4)C2)C1 ZINC000514289215 560032945 /nfs/dbraw/zinc/03/29/45/560032945.db2.gz JPHQLFLOXPHBGF-DLBZAZTESA-N 0 0 387.480 0.903 40 0 biogenic,in-vitro GCABRN COc1cccc(NC(=O)N[C@H]2CO[C@@H](CN3CCN(C(C)=O)CC3)[C@@H]2O)c1 ZINC000514289328 560032983 /nfs/dbraw/zinc/03/29/83/560032983.db2.gz QKARWYWGFOKLHU-OKZBNKHCSA-N 0 0 392.456 0.109 40 0 biogenic,in-vitro GCABRN O=C(NC[C@@]1(COc2cnccn2)C[C@@H](O)[C@@H](O)C1)c1nc2ccccc2[nH]1 ZINC000107430487 560044894 /nfs/dbraw/zinc/04/48/94/560044894.db2.gz UOWVJNMMOIJVAV-CCWDJLKJSA-N 0 0 383.408 0.664 40 0 biogenic,in-vitro GCABRN CN(C)C(=O)CN1C(=O)CO[C@H](c2ccc(NC(=O)C3CC3)cc2)[C@H]1CO ZINC000072321294 560076630 /nfs/dbraw/zinc/07/66/30/560076630.db2.gz OZMDBHGHISFRII-CRAIPNDOSA-N 0 0 375.425 0.384 40 0 biogenic,in-vitro GCABRN COCCNC(=O)CN1CCCC[C@@H]1c1nc(C)c2c(n1)N(C)C(=O)CC2 ZINC000019740910 570212199 /nfs/dbraw/zinc/21/21/99/570212199.db2.gz WNUWKIZOCNIWEB-OAHLLOKOSA-N 0 0 375.473 0.984 40 0 GCABRN CC(=O)NCC(=O)N1CCC2(CC1)C(=O)N(C)CCN2Cc1csc(C)n1 ZINC000096230313 570221815 /nfs/dbraw/zinc/22/18/15/570221815.db2.gz ACGUXDYSQHILGY-UHFFFAOYSA-N 0 0 393.513 0.223 40 0 GCABRN CS(=O)(=O)N1C[C@@H]2c3nc(Nc4ccccc4)ncc3CS(=O)(=O)[C@@H]2C1 ZINC000096252070 570225073 /nfs/dbraw/zinc/22/50/73/570225073.db2.gz OXQDDDYGIWUOJJ-UONOGXRCSA-N 0 0 394.478 0.876 40 0 GCABRN CC(C)C(=O)N1CCN(S(=O)(=O)c2cccnc2)C[C@@]2(CC(=O)N(C)C2)C1 ZINC000096262072 570226113 /nfs/dbraw/zinc/22/61/13/570226113.db2.gz YAYMAUWGYGYGFR-GOSISDBHSA-N 0 0 394.497 0.419 40 0 GCABRN CC(=O)[C@@H](C)n1c(CN2C[C@@H](C)O[C@H](C)C2)nc2c1c(=O)n(C)c(=O)n2C ZINC000020029244 570235946 /nfs/dbraw/zinc/23/59/46/570235946.db2.gz JWFHZPWCTJXYPS-IJLUTSLNSA-N 0 0 377.445 0.193 40 0 GCABRN CCC(=O)N1CCc2cc(S(=O)(=O)NCCCN3CCOCC3)ccc21 ZINC000020181974 570246578 /nfs/dbraw/zinc/24/65/78/570246578.db2.gz HFYUUCVTIVNPTB-UHFFFAOYSA-N 0 0 381.498 0.986 40 0 GCABRN NC(=O)C[C@@]1(COc2ccc(F)cc2)CN(C(=O)c2ccc(=O)[nH]n2)CCO1 ZINC000585282151 570250066 /nfs/dbraw/zinc/25/00/66/570250066.db2.gz AVYWVKUNDZXMGR-SFHVURJKSA-N 0 0 390.371 0.487 40 0 GCABRN NC(=O)C[C@]1(COc2ccc(F)cc2)CN(C(=O)c2cccnc2N)CCO1 ZINC000585282964 570251007 /nfs/dbraw/zinc/25/10/07/570251007.db2.gz KTPXTRNHOHBLLO-LJQANCHMSA-N 0 0 388.399 0.969 40 0 GCABRN CC(=O)N[C@H]1CC2(CCN(C(=O)/C=C/c3cnn(C)c3)CC2)OC[C@]1(C)O ZINC000585288944 570256982 /nfs/dbraw/zinc/25/69/82/570256982.db2.gz BDCSGSGDMXFOES-NCWIEVAOSA-N 0 0 376.457 0.471 40 0 GCABRN COC(=O)C1=CN2[C@@H](C#N)[C@H](c3cccnc3)C(C(=O)OC)(C(=O)OC)[C@@H]2C=C1 ZINC000005798226 570303946 /nfs/dbraw/zinc/30/39/46/570303946.db2.gz ZVSOSRUQIMSCAH-JYJNAYRXSA-N 0 0 397.387 0.701 40 0 GCABRN CN(C)CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cccc2cccnc21 ZINC000575426201 570310769 /nfs/dbraw/zinc/31/07/69/570310769.db2.gz OJIIXTJJDHAIAE-HNNXBMFYSA-N 0 0 397.522 0.974 40 0 GCABRN CS(=O)(=O)N1C[C@H]2CN(C(=O)c3nc[nH]n3)CC[C@@]2(c2ccccc2)C1 ZINC000107805914 570310991 /nfs/dbraw/zinc/31/09/91/570310991.db2.gz FNDURJOUAYTPMD-PBHICJAKSA-N 0 0 375.454 0.480 40 0 GCABRN Cc1cc(C)c(N(CC(=O)NCCN2CCOCC2)S(C)(=O)=O)c(C)c1 ZINC000219148765 570348540 /nfs/dbraw/zinc/34/85/40/570348540.db2.gz CWRUGGFEFUXNBT-UHFFFAOYSA-N 0 0 383.514 0.826 40 0 GCABRN COc1cccc(C(=O)N2C[C@@H]3COCCN3C3(CN(C(=O)C4CC4)C3)C2)c1 ZINC000604382317 570353387 /nfs/dbraw/zinc/35/33/87/570353387.db2.gz OBDPHKCDAHUGFD-QGZVFWFLSA-N 0 0 385.464 0.843 40 0 biogenic,in-vitro GCABRN COCCNC(=O)CN(C(=O)c1snc(C(N)=O)c1N)c1ccc(F)cc1 ZINC000004213724 570363037 /nfs/dbraw/zinc/36/30/37/570363037.db2.gz GKBRANYPXYUPKW-UHFFFAOYSA-N 0 0 395.416 0.373 40 0 GCABRN COCCNC(=O)c1cc(S(=O)(=O)NCCCn2ccnc2)ccc1C ZINC000408617542 570369877 /nfs/dbraw/zinc/36/98/77/570369877.db2.gz DCEPJMMURLUWIB-UHFFFAOYSA-N 0 0 380.470 0.936 40 0 GCABRN CS(=O)(=O)c1cnc2ncnn2c1[C@H]1CCCN(C(=O)c2cc[nH]n2)C1 ZINC000057730081 570371377 /nfs/dbraw/zinc/37/13/77/570371377.db2.gz QUYYIIQREYRZKF-JTQLQIEISA-N 0 0 375.414 0.271 40 0 GCABRN CCc1nc2ccccc2c2nn(CC(=O)NCCCN3CCCC3=O)c(=O)n21 ZINC000057731038 570371633 /nfs/dbraw/zinc/37/16/33/570371633.db2.gz MOVPUPQBBTUAKO-UHFFFAOYSA-N 0 0 396.451 0.735 40 0 GCABRN CCOC(=O)[C@@H](C)OC(=O)[C@@H](C)OC(=O)[C@@H](C)OC(=O)[C@@H](C)OC(C)=O ZINC000004428335 570374903 /nfs/dbraw/zinc/37/49/03/570374903.db2.gz YDQFEYZKJCQJIE-GWOFURMSSA-N 0 0 376.358 0.296 40 0 GCABRN CCOC(=O)[C@H](C)OC(=O)[C@H](C)OC(=O)[C@@H](C)OC(=O)[C@@H](C)OC(C)=O ZINC000004428338 570375034 /nfs/dbraw/zinc/37/50/34/570375034.db2.gz YDQFEYZKJCQJIE-ZRUFSTJUSA-N 0 0 376.358 0.296 40 0 GCABRN CC[C@H](C(=O)NCCN1CCOCC1)N(c1cccc(OC)c1)S(C)(=O)=O ZINC000220624468 570389582 /nfs/dbraw/zinc/38/95/82/570389582.db2.gz HPKIFGZKQKIMDI-QGZVFWFLSA-N 0 0 399.513 0.688 40 0 GCABRN CCC[C@@H](NC(=O)OCc1ccccc1)C(=O)NCC(=O)NCC(=O)OC ZINC000004760586 570404096 /nfs/dbraw/zinc/40/40/96/570404096.db2.gz QKBCIRADCQJDIX-CQSZACIVSA-N 0 0 379.413 0.487 40 0 GCABRN Cc1cc(S(=O)(=O)N2CCOCC2)ccc1OCC(=O)N1CCN(C)CC1 ZINC000038280065 570414615 /nfs/dbraw/zinc/41/46/15/570414615.db2.gz WWUBLCNLXPGIGQ-UHFFFAOYSA-N 0 0 397.497 0.169 40 0 GCABRN CCS[C@H]1O[C@@H]([C@@H](COC(C)=O)OC(C)=O)[C@@H](OC(C)=O)[C@@H]1NC(C)=O ZINC000004963019 570420173 /nfs/dbraw/zinc/42/01/73/570420173.db2.gz SZULVJAZHGQZQY-OLMNGRFOSA-N 0 0 391.442 0.396 40 0 GCABRN CS(=O)(=O)N1CCC(C(=O)N2C[C@H]3C[C@@H](C2)Cn2c(=O)cccc23)CC1 ZINC000038490041 570421723 /nfs/dbraw/zinc/42/17/23/570421723.db2.gz LBRSDXOPJXYJHM-DZGCQCFKSA-N 0 0 379.482 0.466 40 0 GCABRN CC(=O)N[C@H](COC(C)=O)[C@@H]1OC(C)(C)O[C@H]1[C@@H](COC(C)=O)OC(C)=O ZINC000004990528 570422108 /nfs/dbraw/zinc/42/21/08/570422108.db2.gz KQLKRKAMQRLYLO-WCVJEAGWSA-N 0 0 389.401 0.069 40 0 GCABRN O=C(CSc1nc2ccccc2n1CC(=O)NCCCO)NCCCO ZINC000005387739 570436934 /nfs/dbraw/zinc/43/69/34/570436934.db2.gz ICUMIUFJBUWMFU-UHFFFAOYSA-N 0 0 380.470 0.126 40 0 GCABRN O=C([O-])[C@@H]1[C@@H](C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)[C@H]2C=C[C@@H]1O2 ZINC000035898188 570437527 /nfs/dbraw/zinc/43/75/27/570437527.db2.gz NQCSGJKNBZCZRS-FZCLSBEQSA-N 0 0 386.404 0.714 40 0 GCABRN NC(=O)C1CCN(S(=O)(=O)c2nnc(NC(=O)c3ccccc3)s2)CC1 ZINC000223158532 570447735 /nfs/dbraw/zinc/44/77/35/570447735.db2.gz NHSXSBOPDAWHAP-UHFFFAOYSA-N 0 0 395.466 0.676 40 0 GCABRN Cn1c(SCC(N)=O)nc2c1c(=O)n(Cc1ccccc1Cl)c(=O)n2C ZINC000000794813 570481898 /nfs/dbraw/zinc/48/18/98/570481898.db2.gz RLXHWFWHQDPZLD-UHFFFAOYSA-N 0 0 393.856 0.713 40 0 GCABRN COc1ccc(C)cc1S(=O)(=O)N(C)CC(=O)N1CCC(C(N)=O)CC1 ZINC000000818169 570484622 /nfs/dbraw/zinc/48/46/22/570484622.db2.gz ANOCCRDPLDJYNB-UHFFFAOYSA-N 0 0 383.470 0.348 40 0 GCABRN C[C@H]1O[C@@H](c2cccc(F)c2)C[C@@](O)(CNS(=O)(=O)c2cn(C)cn2)[C@@H]1O ZINC000257229670 570488223 /nfs/dbraw/zinc/48/82/23/570488223.db2.gz FZBKUSKWEFTKGY-MDNXKNQGSA-N 0 0 399.444 0.480 40 0 GCABRN CCn1c(=O)c2c(nc(SCC(=O)N3CCC[C@H](C)C3)n2C)n(C)c1=O ZINC000000887154 570510994 /nfs/dbraw/zinc/51/09/94/570510994.db2.gz KSJFWPOJUZTDJX-NSHDSACASA-N 0 0 379.486 0.804 40 0 GCABRN COc1ccccc1OCCNC(=O)[C@@H]1CCCN(S(=O)(=O)N(C)C)C1 ZINC000224382985 570511746 /nfs/dbraw/zinc/51/17/46/570511746.db2.gz DHEKMGMJVFQITP-CQSZACIVSA-N 0 0 385.486 0.709 40 0 GCABRN O=C(CO[C@@H]1CCOC2(CN(S(=O)(=O)c3cccnc3)C2)C1)N1CCCC1 ZINC000575404029 570520604 /nfs/dbraw/zinc/52/06/04/570520604.db2.gz LIJYGRMBNFMTRW-OAHLLOKOSA-N 0 0 395.481 0.643 40 0 GCABRN O=C(NC[C@H]1CO[C@@H]2CN(S(=O)(=O)c3cccnc3)C[C@H]12)c1ccncc1 ZINC000575404586 570520917 /nfs/dbraw/zinc/52/09/17/570520917.db2.gz NVQYGPNHDHJDLQ-USXIJHARSA-N 0 0 388.449 0.542 40 0 GCABRN CC(C)CCC(=O)N1CC2(C1)CN(C)[C@H](C(=O)NCC1CCOCC1)CO2 ZINC000575406665 570522716 /nfs/dbraw/zinc/52/27/16/570522716.db2.gz ZPVQAFHYMZGKPU-KRWDZBQOSA-N 0 0 381.517 0.877 40 0 GCABRN CCOC(=O)N1CCN(C(=O)[C@@H](c2ccccc2)N(C)S(C)(=O)=O)CC1 ZINC000224671719 570523878 /nfs/dbraw/zinc/52/38/78/570523878.db2.gz SBNYDBSWXGLRSQ-OAHLLOKOSA-N 0 0 383.470 0.920 40 0 GCABRN CCOC(=O)C1=C(C)N=c2s/c(=C\C(=O)OC)c(=O)n2[C@@H]1c1ccccc1 ZINC000005235729 570524097 /nfs/dbraw/zinc/52/40/97/570524097.db2.gz WMDAFCBUXSVBMG-IVOILVROSA-N 0 0 386.429 0.923 40 0 GCABRN COc1ccc(S(=O)(=O)N2C(=O)CC[C@H]2C(=O)NC[C@H]2CCCO2)cc1C ZINC000028209800 570531717 /nfs/dbraw/zinc/53/17/17/570531717.db2.gz LGLMMIMXCGZVFP-HIFRSBDPSA-N 0 0 396.465 0.979 40 0 GCABRN CCn1c(SCC(=O)Nc2cccc(C)n2)nc2c1c(=O)n(C)c(=O)n2C ZINC000000930424 570540901 /nfs/dbraw/zinc/54/09/01/570540901.db2.gz YMIPTERHPHSLKP-UHFFFAOYSA-N 0 0 388.453 0.888 40 0 GCABRN O=C(c1cccnc1)N1CCN(CCN2C(=O)[C@@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3C2=O)CC1 ZINC000036047381 570560277 /nfs/dbraw/zinc/56/02/77/570560277.db2.gz PGYHHLNKTGLNSE-LVYXFOGZSA-N 0 0 380.448 0.647 40 0 GCABRN COc1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(N4CCOCC4)[nH]c(=O)c32)cc1 ZINC000038828106 570583719 /nfs/dbraw/zinc/58/37/19/570583719.db2.gz CBCVTMOVQZKUQO-ZDUSSCGKSA-N 0 0 399.407 0.680 40 0 GCABRN Cc1nn(C)cc1[C@@H]1C[C@H](C(=O)Nc2cccc(O)c2)N(C)S(=O)(=O)N1 ZINC000012131159 570613470 /nfs/dbraw/zinc/61/34/70/570613470.db2.gz WVZPWIGGXDHXIR-LSDHHAIUSA-N 0 0 379.442 0.652 40 0 GCABRN Cc1nc2n(n1)CCN(C(=O)c1ccc(S(=O)(=O)N3CCOCC3)cc1)C2 ZINC000012185973 570620809 /nfs/dbraw/zinc/62/08/09/570620809.db2.gz GRIBEMMOYJUIAE-UHFFFAOYSA-N 0 0 391.453 0.263 40 0 GCABRN COCCN(CC(=O)NC[C@@H]1CCCO1)C(=O)CCC(=O)Nc1nccs1 ZINC000004848413 570634466 /nfs/dbraw/zinc/63/44/66/570634466.db2.gz QZLQLPYKZRIWMF-ZDUSSCGKSA-N 0 0 398.485 0.632 40 0 GCABRN Cc1nc(SCCNC(=O)CN(CCc2ccccc2)S(C)(=O)=O)n[nH]1 ZINC000226039864 570639593 /nfs/dbraw/zinc/63/95/93/570639593.db2.gz PPRGPTZBTABFDS-UHFFFAOYSA-N 0 0 397.526 0.826 40 0 GCABRN COC(=O)[C@@H](NC(=O)Cc1ccccc1)[C@H]1N[C@@H](C(=O)OC)C(C)(C)S1 ZINC000031688280 570641138 /nfs/dbraw/zinc/64/11/38/570641138.db2.gz FPWXVXUCFHACJJ-KKUMJFAQSA-N 0 0 380.466 0.870 40 0 GCABRN CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C)C(=O)N[C@H](C)C(N)=O ZINC000005027219 570657711 /nfs/dbraw/zinc/65/77/11/570657711.db2.gz IZDFHHVPNPDEDP-RDBSUJKOSA-N 0 0 398.504 0.907 40 0 GCABRN Cc1nc(NC(=O)CSc2nc3c(c(=O)n(C)c(=O)n3C)n2C)sc1C ZINC000006300167 570669420 /nfs/dbraw/zinc/66/94/20/570669420.db2.gz JUCCBPMVLZHXQX-UHFFFAOYSA-N 0 0 394.482 0.775 40 0 GCABRN C/C=C/Cn1c(-n2nc(CC)cc2CC)nc2c1c(=O)n(CC(N)=O)c(=O)n2C ZINC000012519209 570675825 /nfs/dbraw/zinc/67/58/25/570675825.db2.gz OROXWDKCPJPVFZ-VMPITWQZSA-N 0 0 399.455 0.269 40 0 GCABRN CCS(=O)(=O)CCN1Cc2cncn2[C@H](C(=O)NCc2cccnc2)C1 ZINC000253488265 570733205 /nfs/dbraw/zinc/73/32/05/570733205.db2.gz ACOAVYFXPJWBSD-INIZCTEOSA-N 0 0 377.470 0.386 40 0 GCABRN CCn1c(SCC(=O)Nc2nnc(C)s2)nc2c1c(=O)n(C)c(=O)n2C ZINC000006198439 570738923 /nfs/dbraw/zinc/73/89/23/570738923.db2.gz BDMXZADLQQXAIL-UHFFFAOYSA-N 0 0 395.470 0.344 40 0 GCABRN NC(=O)COc1ccccc1/C=c1\sc2nc(-c3ccncc3)nn2c1=O ZINC000256027966 570758106 /nfs/dbraw/zinc/75/81/06/570758106.db2.gz LZVDAAPSHQEYNI-ZROIWOOFSA-N 0 0 379.401 0.625 40 0 GCABRN COCCn1cnc2cc(C(=O)N[C@@H]3CC[C@@H](N4CCOCC4)[C@@H]3O)ccc21 ZINC000257214061 570761588 /nfs/dbraw/zinc/76/15/88/570761588.db2.gz CKIQHOYGWSVYND-ATZDWAIDSA-N 0 0 388.468 0.637 40 0 GCABRN COc1cccc([C@H]2C[C@@](O)(CNS(=O)(=O)c3cn[nH]c3)[C@H](O)[C@@H](C)O2)c1 ZINC000257234422 570765998 /nfs/dbraw/zinc/76/59/98/570765998.db2.gz GTLLUVAZZISZOD-GAEVZRCVSA-N 0 0 397.453 0.339 40 0 GCABRN CN(C)C(=O)[C@H]1CN(C(=O)CCS(=O)(=O)c2ccc(F)cc2)CCN1C ZINC000257241180 570768339 /nfs/dbraw/zinc/76/83/39/570768339.db2.gz HWYXGPSWWPUNCI-OAHLLOKOSA-N 0 0 385.461 0.220 40 0 GCABRN Cn1c(=O)c2ccc([C@H]3CN(C(=O)Cc4ccccc4)CCO3)nc2n(C)c1=O ZINC000257243872 570769000 /nfs/dbraw/zinc/76/90/00/570769000.db2.gz IIXSTXQMFSLVPV-QGZVFWFLSA-N 0 0 394.431 0.775 40 0 GCABRN CC(=O)N[C@]12CN(CC(=O)N(C)C)[C@H](c3ccccc3)[C@H]1CCN(C(C)=O)C2 ZINC000257263234 570772057 /nfs/dbraw/zinc/77/20/57/570772057.db2.gz LOZNFWCSUUKQPF-HMXCVIKNSA-N 0 0 386.496 0.875 40 0 GCABRN CNC(=O)[C@@H]1CN(C(=O)CCc2ccnn2C)CCN1CCc1ccccc1 ZINC000257264037 570772534 /nfs/dbraw/zinc/77/25/34/570772534.db2.gz LSPZPTJGVAYRLH-IBGZPJMESA-N 0 0 383.496 0.854 40 0 GCABRN CNC(=O)[C@@H]1CN(C(=O)Cn2nc(C(F)(F)F)cc2C)CCN1C(C)=O ZINC000257266139 570772659 /nfs/dbraw/zinc/77/26/59/570772659.db2.gz MBTHNMMQUSYEJF-NSHDSACASA-N 0 0 375.351 0.016 40 0 GCABRN Cn1cc(C(=O)N[C@@H]2C[C@@H](Oc3cccc(F)c3)[C@H](O)[C@H]2[N@H+](C)CCO)cn1 ZINC000257281380 570775013 /nfs/dbraw/zinc/77/50/13/570775013.db2.gz OOXPGPZPTIMGLB-BDXSIMOUSA-N 0 0 392.431 0.163 40 0 GCABRN CNC(=O)[C@@H]1CN(C(=O)CCCS(=O)(=O)c2ccccc2)CCN1C(C)=O ZINC000257292707 570776788 /nfs/dbraw/zinc/77/67/88/570776788.db2.gz QMQBDCKKLDDTFP-INIZCTEOSA-N 0 0 395.481 0.046 40 0 GCABRN CC(C)N1CCN(C(=O)CCCS(=O)(=O)c2ccccc2)C[C@@H]1C(N)=O ZINC000257302333 570778597 /nfs/dbraw/zinc/77/85/97/570778597.db2.gz SCNAPBBCFWCZNC-MRXNPFEDSA-N 0 0 381.498 0.647 40 0 GCABRN Cn1cc(-c2cccc([C@@H]3CN(S(=O)(=O)N4CCOCC4)CCO3)n2)cn1 ZINC000257328677 570782330 /nfs/dbraw/zinc/78/23/30/570782330.db2.gz XGRKQBPIXYUPMJ-KRWDZBQOSA-N 0 0 393.469 0.432 40 0 GCABRN NC(=O)c1nc(-c2ccncc2)nc2c1[nH]c(=O)n2-c1ccc2c(c1)OCO2 ZINC000004518809 570836882 /nfs/dbraw/zinc/83/68/82/570836882.db2.gz KHBICNUJBMLINO-UHFFFAOYSA-N 0 0 376.332 0.998 40 0 GCABRN CCCNS(=O)(=O)c1cc(C(=O)N2CCC(C(N)=O)CC2)ccc1OC ZINC000014291956 570882028 /nfs/dbraw/zinc/88/20/28/570882028.db2.gz OCHJDMVXMXNQGA-UHFFFAOYSA-N 0 0 383.470 0.721 40 0 GCABRN COc1ccc(S(=O)(=O)N2C(=O)CC[C@H]2C(=O)N2CCN(C)CC2)cc1C ZINC000028210108 570908031 /nfs/dbraw/zinc/90/80/31/570908031.db2.gz HPPPQEPNBLIMJH-HNNXBMFYSA-N 0 0 395.481 0.457 40 0 GCABRN COc1ccc(S(=O)(=O)N(C)CC(=O)NCCCn2ccnc2)cc1OC ZINC000016187825 570916831 /nfs/dbraw/zinc/91/68/31/570916831.db2.gz NRTGIVHGBQWNOG-UHFFFAOYSA-N 0 0 396.469 0.727 40 0 GCABRN C[C@@H]1c2nc(CC(=O)N3CC=CC3)cn2CCN1S(=O)(=O)c1cccnc1 ZINC000585097038 570923491 /nfs/dbraw/zinc/92/34/91/570923491.db2.gz FATVVPHDMMVBSO-CQSZACIVSA-N 0 0 387.465 0.985 40 0 GCABRN Cn1ccc(CC(=O)N2CCC[C@@]3(CC(C(=O)NCc4cccnc4)=NO3)C2)n1 ZINC000585101189 570926318 /nfs/dbraw/zinc/92/63/18/570926318.db2.gz MEQKKDKVVFKFRV-HXUWFJFHSA-N 0 0 396.451 0.812 40 0 GCABRN O=C(NCCN1CCNC1=O)C1=NO[C@]2(C1)CCCN(Cc1ccccn1)C2 ZINC000585101322 570926732 /nfs/dbraw/zinc/92/67/32/570926732.db2.gz YCSRZNWBZMQBEZ-IBGZPJMESA-N 0 0 386.456 0.334 40 0 GCABRN Cc1ccnc(OC[C@H]2CCS(=O)(=O)C23CN(C(=O)c2cn(C)cn2)C3)n1 ZINC000306123849 570935860 /nfs/dbraw/zinc/93/58/60/570935860.db2.gz AYKQHXTTYFYWBK-CYBMUJFWSA-N 0 0 391.453 0.227 40 0 GCABRN O=C(NC1CC1)c1nnc2n1CCN1CCN(C(=O)c3ccnc(F)c3)C[C@H]21 ZINC000585109924 570938412 /nfs/dbraw/zinc/93/84/12/570938412.db2.gz OREAXNGLTIPBCC-CYBMUJFWSA-N 0 0 385.403 0.217 40 0 GCABRN O=C(NC1CCCC1)c1nnc2n1CCN1CCN(C(=O)C3CC(F)C3)C[C@H]21 ZINC000585109915 570938555 /nfs/dbraw/zinc/93/85/55/570938555.db2.gz LAFLWYJUSQPKKR-SSDMNJCBSA-N 0 0 390.463 0.898 40 0 GCABRN O=C(NC1CC1)c1nnc2n1CCN1CCN(C(=O)c3ccnc(F)c3)C[C@@H]21 ZINC000585109925 570938678 /nfs/dbraw/zinc/93/86/78/570938678.db2.gz OREAXNGLTIPBCC-ZDUSSCGKSA-N 0 0 385.403 0.217 40 0 GCABRN CS(=O)(=O)N1CC[C@@H]2ON=C(N3CCN(Cc4ccccc4)CC3)[C@@H]2C1 ZINC000306130937 570939319 /nfs/dbraw/zinc/93/93/19/570939319.db2.gz JSVJBRRUNYZQTG-SJORKVTESA-N 0 0 378.498 0.798 40 0 GCABRN O=C(C[C@@H]1CO[C@@H]2CN(C(=O)CCc3cncnc3)C[C@H]12)Nc1cnccn1 ZINC000585108584 570940277 /nfs/dbraw/zinc/94/02/77/570940277.db2.gz WFOWRODCQKTURE-BZUAXINKSA-N 0 0 382.424 0.701 40 0 GCABRN Cn1ccc(CC(=O)N2CC[C@H]3O[C@H](C(=O)NCc4ccccn4)CC[C@H]32)n1 ZINC000585108550 570940295 /nfs/dbraw/zinc/94/02/95/570940295.db2.gz DBJOEFGDJNEAJI-KURKYZTESA-N 0 0 383.452 0.823 40 0 GCABRN CC1CC(C(=O)N2CCCn3c(=O)cc(CNC(=O)c4cnn(C)c4)nc3C2)C1 ZINC000585110962 570944481 /nfs/dbraw/zinc/94/44/81/570944481.db2.gz HYRGFJDNSVTQIL-UHFFFAOYSA-N 0 0 398.467 0.685 40 0 GCABRN O=C(CN1CCOCC1)N1CCc2ncc(-c3cnn(CC4CC4)c3)n2CC1 ZINC000585111080 570944508 /nfs/dbraw/zinc/94/45/08/570944508.db2.gz COMJXQRCYNDZLT-UHFFFAOYSA-N 0 0 384.484 0.874 40 0 GCABRN Cc1ccc(S(=O)(=O)N2CC[C@@H]3C[C@H](NC(=O)[C@@H]4CC(=O)N(C)C4)[C@@H]32)cc1 ZINC000019211633 570960939 /nfs/dbraw/zinc/96/09/39/570960939.db2.gz YDJVSCJLOJJWRC-AHEZYBDSSA-N 0 0 391.493 0.741 40 0 GCABRN O=C([C@@H]1CCS(=O)(=O)C1)N1CC[C@H](c2nc(-c3cccnc3)cc(=O)[nH]2)C1 ZINC000019340295 570977079 /nfs/dbraw/zinc/97/70/79/570977079.db2.gz VPDCRULVHQKJAZ-UONOGXRCSA-N 0 0 388.449 0.583 40 0 GCABRN O=C([C@H]1CCS(=O)(=O)C1)N1CC[C@@H](c2nc(-c3cccnc3)cc(=O)[nH]2)C1 ZINC000019340300 570977247 /nfs/dbraw/zinc/97/72/47/570977247.db2.gz VPDCRULVHQKJAZ-KGLIPLIRSA-N 0 0 388.449 0.583 40 0 GCABRN CC1CCN(c2nc(CNC(=O)C[C@@H]3CCS(=O)(=O)C3)cc(=O)[nH]2)CC1 ZINC000019497051 570990040 /nfs/dbraw/zinc/99/00/40/570990040.db2.gz DAMDQJBOKLSJLY-ZDUSSCGKSA-N 0 0 382.486 0.447 40 0 GCABRN CCC(=O)N1CCC[C@H]1c1nc2c(c(=O)[nH]1)CCN(S(=O)(=O)N(C)C)C2 ZINC000019498786 570991570 /nfs/dbraw/zinc/99/15/70/570991570.db2.gz KRVOOYDQMNMLMY-ZDUSSCGKSA-N 0 0 383.474 0.008 40 0 GCABRN CN(C)C(=O)[C@@H]1CN(C(=O)c2cnccn2)C[C@]12Cc1ccccc1C(=O)N2 ZINC000019581163 571012853 /nfs/dbraw/zinc/01/28/53/571012853.db2.gz NUAUEQKUWHPIMV-MGPUTAFESA-N 0 0 379.420 0.362 40 0 GCABRN CS(=O)(=O)NCC(=O)N1CCC[C@@H](c2ccc(C(=O)N3CCCC3)cn2)C1 ZINC000019705729 571031957 /nfs/dbraw/zinc/03/19/57/571031957.db2.gz SNYLPKOLGRDUFK-OAHLLOKOSA-N 0 0 394.497 0.573 40 0 GCABRN CS(=O)(=O)NCC(=O)N1CCC[C@@H](c2ccc(C(=O)NCC3CC3)cn2)C1 ZINC000019705937 571031963 /nfs/dbraw/zinc/03/19/63/571031963.db2.gz UHQYZAFTVFJJGW-OAHLLOKOSA-N 0 0 394.497 0.477 40 0 GCABRN Cc1nc(N2CCCCC2)ncc1C(=O)N1CCC2(CC1)NC(=O)N(C)C2=O ZINC000019714796 571036528 /nfs/dbraw/zinc/03/65/28/571036528.db2.gz LTAJMXUEAPFRHY-UHFFFAOYSA-N 0 0 386.456 0.932 40 0 GCABRN Cc1cc2n(n1)C1(CCN(S(=O)(=O)C3CCOCC3)CC1)CC(=O)N2C ZINC001772596119 1187058271 /nfs/dbraw/zinc/05/82/71/1187058271.db2.gz GGSXDAJSRXBQCE-UHFFFAOYSA-N 0 0 382.486 0.858 40 0 GCABRN C[C@]12C[C@@H](O)[C@@]3(F)[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@H]1C[C@@H](O)[C@]2(O)C(=O)CO ZINC000003882039 1187979062 /nfs/dbraw/zinc/97/90/62/1187979062.db2.gz GFNANZIMVAIWHM-RDAHVJDESA-N 0 0 394.439 0.621 40 0 GCABRN Cn1c2nc3n(c2c(=O)[nH]c1=O)CCCN3CN1CCN(c2ccccc2)CC1 ZINC000618255338 1189759934 /nfs/dbraw/zinc/75/99/34/1189759934.db2.gz XWSDEZWMCOTHCS-UHFFFAOYSA-N 0 0 395.467 0.825 40 0 GCABRN CCS(=O)(=O)N1CCc2nc(C3CCN(C(C)=O)CC3)nc(NC)c2C1 ZINC000019711085 1199838396 /nfs/dbraw/zinc/83/83/96/1199838396.db2.gz OMENNVIWPQCNCH-UHFFFAOYSA-N 0 0 381.502 0.952 40 0 GCABRN NC(=O)C1CCN(CC(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)CC1 ZINC000021847052 1199907682 /nfs/dbraw/zinc/90/76/82/1199907682.db2.gz NRSXRHWFRRGTMY-UHFFFAOYSA-N 0 0 394.497 0.607 40 0 GCABRN CNS(=O)(=O)c1ccc(C)c(NC(=O)[C@@H]2CCCN(S(C)(=O)=O)C2)c1 ZINC000222559043 222608730 /nfs/dbraw/zinc/60/87/30/222608730.db2.gz TYKLPBLEGUFUCU-GFCCVEGCSA-N 0 0 389.499 0.513 40 0 GCABRN Cc1ccc(N([C@@H](C)C(=O)NCCN2CCOCC2)S(C)(=O)=O)cc1C ZINC000408627896 231088027 /nfs/dbraw/zinc/08/80/27/231088027.db2.gz RDDJCPBEWAPHNM-INIZCTEOSA-N 0 0 383.514 0.906 40 0 GCABRN CCN(CC)S(=O)(=O)c1ccc(S(=O)(=O)N2CCN(C)CC2)cc1 ZINC000036316592 530126709 /nfs/dbraw/zinc/12/67/09/530126709.db2.gz WNGTUSBIJNUSCQ-UHFFFAOYSA-N 0 0 375.516 0.653 40 0 GCABRN CN(C)C(=O)COCC[C@@H]1CCOC12CCN(S(=O)(=O)N(C)C)CC2 ZINC000585104955 530223053 /nfs/dbraw/zinc/22/30/53/530223053.db2.gz MTAGOBKCNSLVLR-CQSZACIVSA-N 0 0 377.507 0.159 40 0 GCABRN CNC(=O)[C@@H]1[C@@H](c2ccc(Br)cc2)[C@H](C(=O)NC)C(=O)C[C@]1(C)O ZINC000015105948 530372237 /nfs/dbraw/zinc/37/22/37/530372237.db2.gz VVHUDXYAOJMQET-LOUJCGABSA-N 0 0 397.269 0.981 40 0 GCABRN CS(=O)(=O)N1C[C@@H](C(=O)N2CCN(C=O)CC2)Oc2ccc(Cl)cc21 ZINC000216239286 530491025 /nfs/dbraw/zinc/49/10/25/530491025.db2.gz ABTTYXRMSKWLNU-AWEZNQCLSA-N 0 0 387.845 0.168 40 0 GCABRN CS(=O)(=O)N1C[C@@H]2COCCN2C2(CN(C3CCC(F)(F)CC3)C2)C1 ZINC000604382325 530495816 /nfs/dbraw/zinc/49/58/16/530495816.db2.gz OCNXZDIBICTPNE-CQSZACIVSA-N 0 0 379.473 0.595 40 0 biogenic,in-vitro GCABRN CCOC(=O)N1CCN(S(=O)(=O)c2nnc(NC(=O)CC)s2)CC1 ZINC000224114491 530505067 /nfs/dbraw/zinc/50/50/67/530505067.db2.gz VLDSCWSJPGKMFL-UHFFFAOYSA-N 0 0 377.448 0.349 40 0 GCABRN CS(=O)(=O)N(CC(=O)NCCSc1nc[nH]n1)Cc1ccc(F)cc1 ZINC000226062417 530508497 /nfs/dbraw/zinc/50/84/97/530508497.db2.gz WHTURAXDTYOKPT-UHFFFAOYSA-N 0 0 387.462 0.614 40 0 GCABRN CNS(=O)(=O)c1cc(C(=O)NCCSc2n[nH]c(C)n2)ccc1OC ZINC000222902178 530502632 /nfs/dbraw/zinc/50/26/32/530502632.db2.gz ZIMXTSWJPGHRTC-UHFFFAOYSA-N 0 0 385.471 0.552 40 0 GCABRN CC(C)c1ccc(S(=O)(=O)N([C@H]2CS(=O)(=O)C[C@H]2O)N(C)C)cc1 ZINC000575421057 530688013 /nfs/dbraw/zinc/68/80/13/530688013.db2.gz MRFUOPRJMJBGQR-LSDHHAIUSA-N 0 0 376.500 0.435 40 0 GCABRN O=S(=O)(c1ccccc1)N(c1cccc(O)c1)[C@H]1CS(=O)(=O)C[C@@H]1O ZINC000575423752 530688296 /nfs/dbraw/zinc/68/82/96/530688296.db2.gz QCHTYNOVFKFDHI-HOTGVXAUSA-N 0 0 383.447 0.745 40 0 GCABRN CCOC(=O)N[C@H]1CS(=O)(=O)C[C@@H]1NS(=O)(=O)c1ccc(Cl)cc1 ZINC000575424038 530688798 /nfs/dbraw/zinc/68/87/98/530688798.db2.gz JPKKXFJIIXJHSZ-RYUDHWBXSA-N 0 0 396.874 0.530 40 0 GCABRN COc1ccc(C)cc1S(=O)(=O)N(CCN(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000575424715 530689108 /nfs/dbraw/zinc/68/91/08/530689108.db2.gz WDFKMCWERABOLR-AWEZNQCLSA-N 0 0 390.527 0.743 40 0 GCABRN Cc1ccc(C(=O)[O-])cc1S(=O)(=O)NCC[NH2+][C@]1(C)CCS(=O)(=O)C1 ZINC000575426690 530690117 /nfs/dbraw/zinc/69/01/17/530690117.db2.gz YHQGYJLGIIRTFS-OAHLLOKOSA-N 0 0 390.483 0.138 40 0 GCABRN COc1ccc(S(=O)(=O)N(C)[C@@H]2CCS(=O)(=O)C2)cc1NC(C)=O ZINC000019680291 530913235 /nfs/dbraw/zinc/91/32/35/530913235.db2.gz JOVOVFGCUXFREW-LLVKDONJSA-N 0 0 376.456 0.461 40 0 GCABRN COc1ccc(S(=O)(=O)N(CCN(C)C)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000244094622 530958967 /nfs/dbraw/zinc/95/89/67/530958967.db2.gz UFSABQMIVCPFFD-ZDUSSCGKSA-N 0 0 376.500 0.435 40 0 GCABRN COc1ccc(NC(C)=O)cc1S(=O)(=O)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000499082234 530941943 /nfs/dbraw/zinc/94/19/43/530941943.db2.gz BUBLNGTYKRZGMA-GFCCVEGCSA-N 0 0 376.456 0.461 40 0 GCABRN OC[C@@H]1O[C@H](O[C@@H]2C[C@H](c3ccccc3)O[C@@H]3CCC[C@H]32)[C@@H](O)[C@H](O)[C@@H]1O ZINC000257239880 222761834 /nfs/dbraw/zinc/76/18/34/222761834.db2.gz HREUTUWILNMRSM-XXWPRJKISA-N 0 0 380.437 0.502 40 0 GCABRN COc1cccc([C@H]2C[C@@](O)(CNC(=O)CN3CCOCC3)[C@H](O)[C@@H](C)O2)c1 ZINC000257264937 222766869 /nfs/dbraw/zinc/76/68/69/222766869.db2.gz LWPPGTQOHVPEJL-SJFSSXKUSA-N 0 0 394.468 0.086 40 0 GCABRN CNC(=O)[C@@H]1CN(C(=O)CCS(=O)(=O)c2ccc(F)cc2)CCN1C(C)C ZINC000257320660 222776414 /nfs/dbraw/zinc/77/64/14/222776414.db2.gz VXUMAVFYNAXIBZ-INIZCTEOSA-N 0 0 399.488 0.657 40 0 GCABRN Cc1nc2cc(C(=O)N3C[C@H](O)[C@@H](n4cnc5c4nc(N)nc5N)C3)ccc2[nH]1 ZINC000257343071 222779350 /nfs/dbraw/zinc/77/93/50/222779350.db2.gz ZRJHOYSJOLWPLS-STQMWFEESA-N 0 0 393.411 0.233 40 0 GCABRN COc1ncccc1CN1Cc2ccnn2[C@@H](CNS(=O)(=O)C2CC2)C1 ZINC000306131044 222796725 /nfs/dbraw/zinc/79/67/25/222796725.db2.gz JVHGQKMVORSNBM-HNNXBMFYSA-N 0 0 377.470 0.925 40 0 GCABRN CC(=O)N1CCN(C(=O)C2CCCCC2)C[C@H]1C(=O)N[C@H]1CCCNC1=O ZINC000005414472 291099617 /nfs/dbraw/zinc/09/96/17/291099617.db2.gz RTNOAGDHUMRJTG-HOTGVXAUSA-N 0 0 378.473 0.021 40 0 biogenic,in-vitro GCABRN CCc1nc(N)nc(C(=O)NCCNC(=O)c2nc(N)nc(CC)c2C)c1C ZINC000001622566 212250103 /nfs/dbraw/zinc/25/01/03/212250103.db2.gz SMDXMSQJERBWMN-UHFFFAOYSA-N 0 0 386.460 0.332 40 0 GCABRN C[C@@H](Cn1nnn(-c2ccccc2)c1=O)NC(=O)Cn1nnc2ccccc21 ZINC000057731616 212133081 /nfs/dbraw/zinc/13/30/81/212133081.db2.gz NRJYNQZHMZQAGH-ZDUSSCGKSA-N 0 0 378.396 0.379 40 0 GCABRN NS(=O)(=O)c1ccc(NC(=O)C[C@H]([NH2+]Cc2ccccc2)C(=O)[O-])cc1 ZINC000005258043 209122597 /nfs/dbraw/zinc/12/25/97/209122597.db2.gz KPGBQWSHVNAQQD-HNNXBMFYSA-N 0 0 377.422 0.906 40 0 GCABRN COCCNC(=O)Cn1c2ccc(S(=O)(=O)N3CCCCC3)cc2oc1=O ZINC000027915038 206256099 /nfs/dbraw/zinc/25/60/99/206256099.db2.gz ZHJQPALOHLROPD-UHFFFAOYSA-N 0 0 397.453 0.532 40 0 GCABRN CC(C)C[C@@H]1NC(=O)[C@@H](C)NC(=O)[C@H](CC(C)C)OC(=O)CCCNC1=O ZINC000253481009 206284820 /nfs/dbraw/zinc/28/48/20/206284820.db2.gz QWWUZAJFCIZIIQ-ILXRZTDVSA-N 0 0 383.489 0.890 40 0 biogenic,in-vitro GCABRN NC(=O)C1CCN(C(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)CC1 ZINC000000800792 206323283 /nfs/dbraw/zinc/32/32/83/206323283.db2.gz OADVOMIZYVYNON-UHFFFAOYSA-N 0 0 379.482 0.811 40 0 GCABRN COc1ccc(Cl)cc1S(=O)(=O)N1CCC[C@H](C(=O)NCC(N)=O)C1 ZINC000001347165 206374529 /nfs/dbraw/zinc/37/45/29/206374529.db2.gz YXUDWYHKBKPWIA-JTQLQIEISA-N 0 0 389.861 0.351 40 0 GCABRN COC(=O)[C@H]1CN(C(=O)CC[C@H]2NC(=O)NC2=O)C[C@@H]1c1ccc(F)cc1 ZINC000012157187 206863980 /nfs/dbraw/zinc/86/39/80/206863980.db2.gz OIAUAGOGXXMFCT-HZSPNIEDSA-N 0 0 377.372 0.529 40 0 GCABRN Cn1ccnc1[C@@H](c1ccccc1)N1CCN(CC(=O)N2CCNC2=O)CC1 ZINC000019291323 207112886 /nfs/dbraw/zinc/11/28/86/207112886.db2.gz YKJYJZFJGRAKPF-GOSISDBHSA-N 0 0 382.468 0.679 40 0 GCABRN Cn1ccnc1[C@H](c1ccccc1)N1CCN(CC(=O)N2CCNC2=O)CC1 ZINC000019291322 207113208 /nfs/dbraw/zinc/11/32/08/207113208.db2.gz YKJYJZFJGRAKPF-SFHVURJKSA-N 0 0 382.468 0.679 40 0 GCABRN CN1C(=O)n2c3ccccc3nc2C(N2CCOCC2)(N2CCOCC2)C1=O ZINC000019327936 207115349 /nfs/dbraw/zinc/11/53/49/207115349.db2.gz CACUSLNHWOIJJL-UHFFFAOYSA-N 0 0 385.424 0.294 40 0 GCABRN CCCC(=O)N1CCc2nc(C3CCN(C(=O)COC)CC3)[nH]c(=O)c2C1 ZINC000019501617 207127522 /nfs/dbraw/zinc/12/75/22/207127522.db2.gz IKTUHJOIDIMVGE-UHFFFAOYSA-N 0 0 376.457 0.807 40 0 GCABRN O=C(NCc1cc(=O)[nH]c(N2CCCC2)n1)[C@@H]1CSC(c2ccncc2)=N1 ZINC000019405029 207121270 /nfs/dbraw/zinc/12/12/70/207121270.db2.gz QIGKJXVGXZLMHA-AWEZNQCLSA-N 0 0 384.465 0.944 40 0 GCABRN O=c1[nH]c(N2CCOCC2)nc2c1CCN(Cc1ccnc(N3CCCC3)n1)C2 ZINC000019404062 207122124 /nfs/dbraw/zinc/12/21/24/207122124.db2.gz ZUIXXSODJOMIQS-UHFFFAOYSA-N 0 0 397.483 0.555 40 0 GCABRN O=C(CO)N1CCC[C@H]1c1c(-c2ccnc(N3CCCC3)n2)cnn1CCO ZINC000019404172 207122304 /nfs/dbraw/zinc/12/23/04/207122304.db2.gz FPRTUOJMOHTFGJ-INIZCTEOSA-N 0 0 386.456 0.588 40 0 GCABRN O=C([C@@H]1CCS(=O)(=O)C1)N1CCC[C@H]1c1nc(-c2ccccn2)cc(=O)[nH]1 ZINC000019402445 207122390 /nfs/dbraw/zinc/12/23/90/207122390.db2.gz XKZYIVYZQNBVPK-DOMZBBRYSA-N 0 0 388.449 0.930 40 0 GCABRN Cc1sc2nc(C)n(CC(=O)NCCC(=O)N3CCOCC3)c(=O)c2c1C ZINC000019561254 207135255 /nfs/dbraw/zinc/13/52/55/207135255.db2.gz MNBGKSOVBLXNGO-UHFFFAOYSA-N 0 0 392.481 0.748 40 0 GCABRN CON(C)C(=O)CN1CC[C@]2(CCC1=O)Nc1ccccc1S(=O)(=O)N2 ZINC000019578689 207138426 /nfs/dbraw/zinc/13/84/26/207138426.db2.gz YRVJEQXWPRWNLI-MRXNPFEDSA-N 0 0 382.442 0.119 40 0 GCABRN Cc1nn(C)cc1S(=O)(=O)N1CCC[C@@H](C(=O)NCCc2cnccn2)C1 ZINC000019583997 207139598 /nfs/dbraw/zinc/13/95/98/207139598.db2.gz ROCOEZFVGCKOSO-CQSZACIVSA-N 0 0 392.485 0.278 40 0 GCABRN COCC(=O)NCCc1nc(-c2ccccc2)ncc1C(=O)N1CCOCC1 ZINC000019696134 207148350 /nfs/dbraw/zinc/14/83/50/207148350.db2.gz LKBUHSHDDNYKNY-UHFFFAOYSA-N 0 0 384.436 0.921 40 0 GCABRN CN1CCN(c2nc(CNC(=O)[C@H]3OCCc4ccccc43)cc(=O)[nH]2)CC1 ZINC000019590111 207142116 /nfs/dbraw/zinc/14/21/16/207142116.db2.gz JJRZREBWOLZBDW-SFHVURJKSA-N 0 0 383.452 0.864 40 0 GCABRN COc1ccc(S(=O)(=O)N2CCN(C(=O)CC[C@@H]3CCC(=O)N3)CC2)cc1 ZINC000019660180 207145990 /nfs/dbraw/zinc/14/59/90/207145990.db2.gz XKTXIWNTSNYLAU-AWEZNQCLSA-N 0 0 395.481 0.587 40 0 GCABRN C[C@H](c1cc(=O)[nH]c(NCCN2CCOCC2)n1)n1ncc2ccccc2c1=O ZINC000019717938 207155173 /nfs/dbraw/zinc/15/51/73/207155173.db2.gz XBOMODJTGNSHIN-CQSZACIVSA-N 0 0 396.451 0.833 40 0 GCABRN CC(C)(CN1CCOCC1)NC(=O)Cn1cc(NC(=O)c2ccccn2)cn1 ZINC000019749823 207158666 /nfs/dbraw/zinc/15/86/66/207158666.db2.gz KVAPSHSBLNNXST-UHFFFAOYSA-N 0 0 386.456 0.757 40 0 GCABRN CCNC(=O)[C@H]1CC(=O)Nc2nc(N3CCC[C@@H](C(=O)OCC)C3)[nH]c(=O)c21 ZINC000019821468 207164679 /nfs/dbraw/zinc/16/46/79/207164679.db2.gz FDEXWYYJXFRXPA-MNOVXSKESA-N 0 0 391.428 0.111 40 0 GCABRN CCS(=O)(=O)N1CCC[C@@H](C(=O)NCc2ccc(S(N)(=O)=O)cc2)C1 ZINC000020032264 207174704 /nfs/dbraw/zinc/17/47/04/207174704.db2.gz UKNHDQNNILCZPA-CYBMUJFWSA-N 0 0 389.499 0.012 40 0 GCABRN COCCCNC(=O)C(=O)NCCc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000022228218 207249921 /nfs/dbraw/zinc/24/99/21/207249921.db2.gz IJMXUOPDVGGVAT-UHFFFAOYSA-N 0 0 397.497 0.283 40 0 GCABRN Cc1ccc2c(c1)N(S(C)(=O)=O)C[C@H](C(=O)NCCCN1CCOCC1)O2 ZINC000030944582 207378501 /nfs/dbraw/zinc/37/85/01/207378501.db2.gz MSJIXVRKKVYPEA-QGZVFWFLSA-N 0 0 397.497 0.361 40 0 GCABRN C[C@H](C(=O)N1CCNC(=O)C1)N1CC[C@]2(CC(=O)c3ccccc3O2)CCC1=O ZINC000072327648 207997092 /nfs/dbraw/zinc/99/70/92/207997092.db2.gz SDWQXDXLYUVAHD-SZNDQCEHSA-N 0 0 399.447 0.750 40 0 GCABRN CN(C)C(=O)[C@]1(Cc2cccc(-c3ccncc3)c2)CN(C(=O)CO)CCO1 ZINC000072389078 208012176 /nfs/dbraw/zinc/01/21/76/208012176.db2.gz DUXPNVKLTKKRDA-NRFANRHFSA-N 0 0 383.448 0.969 40 0 GCABRN CC(=O)N1C[C@H]2C3(CC[C@@]2(C(=O)N(C)C)C1)CCN(S(=O)(=O)C1CC1)CC3 ZINC000096143813 208271495 /nfs/dbraw/zinc/27/14/95/208271495.db2.gz DBOUSFATEJKABD-QFBILLFUSA-N 0 0 397.541 0.908 40 0 GCABRN CN(C)C(=O)N1CCN(C)[C@@H](c2nnc3ccc(C(=O)N4CCCC4)cn32)C1 ZINC000096156760 208279054 /nfs/dbraw/zinc/27/90/54/208279054.db2.gz OYDCQVKRHKMSHQ-OAHLLOKOSA-N 0 0 385.472 0.935 40 0 GCABRN CN1CC[C@]2(CN(c3ncccn3)CC23CCN(S(C)(=O)=O)CC3)C1=O ZINC000096036382 208253119 /nfs/dbraw/zinc/25/31/19/208253119.db2.gz UTIYKGAULLGAES-KRWDZBQOSA-N 0 0 379.486 0.187 40 0 GCABRN CC(=O)N1CC(=O)N(c2cnn(C)c2)C[C@]12CCN(C(=O)c1cc(C)on1)C2 ZINC000096050451 208256551 /nfs/dbraw/zinc/25/65/51/208256551.db2.gz BPRSHAKRWPFMJG-GOSISDBHSA-N 0 0 386.412 0.197 40 0 GCABRN CS(=O)(=O)N1CCN(C(=O)c2cccc(Cl)c2)C[C@]2(CNC(=O)C2)C1 ZINC000096143306 208271031 /nfs/dbraw/zinc/27/10/31/208271031.db2.gz RSMAPOZIKCZXDV-INIZCTEOSA-N 0 0 385.873 0.564 40 0 GCABRN Cc1nc(CN2CC[C@@]3(CC(C(=O)NCCN4CCOCC4)=NO3)C2)cs1 ZINC000096225693 208288682 /nfs/dbraw/zinc/28/86/82/208288682.db2.gz YPLSTQWMXPXZAZ-GOSISDBHSA-N 0 0 393.513 0.621 40 0 GCABRN O=C(C1CCC1)N1CCC2(CC1)O[C@H](C(=O)N1CCOCC1)Cn1ccnc12 ZINC000096243727 208293049 /nfs/dbraw/zinc/29/30/49/208293049.db2.gz YIZBXOOJGWJYQJ-INIZCTEOSA-N 0 0 388.468 0.759 40 0 GCABRN Cc1cc(C(=O)N2CCc3nc(C(=O)N4CCOCC4)sc3CC2)[nH]n1 ZINC000096264782 208296949 /nfs/dbraw/zinc/29/69/49/208296949.db2.gz YILBINIKJYBEMD-UHFFFAOYSA-N 0 0 375.454 0.888 40 0 GCABRN CNC(=O)[C@@H]1Cn2ccnc2C2(CCN(S(=O)(=O)c3cccnc3)CC2)O1 ZINC000096263036 208297896 /nfs/dbraw/zinc/29/78/96/208297896.db2.gz SLNDKWLTGKJNKO-AWEZNQCLSA-N 0 0 391.453 0.103 40 0 GCABRN CN1C[C@@]23CN(C(=O)NCCc4ccc(F)cc4)C[C@@H](C[C@@H]2S1(=O)=O)O3 ZINC000096264064 208298795 /nfs/dbraw/zinc/29/87/95/208298795.db2.gz HYGUAUMNVNMFQN-HLLBOEOZSA-N 0 0 383.445 0.565 40 0 GCABRN COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CCC(C(N)=O)CC2)cc1C ZINC000408587723 533064715 /nfs/dbraw/zinc/06/47/15/533064715.db2.gz BYTIEIMVDRLFLV-LBPRGKRZSA-N 0 0 383.470 0.394 40 0 GCABRN CCCS(=O)(=O)N1CC2(C1)[C@@H](COc1ncccn1)CCS2(=O)=O ZINC000306135871 209104598 /nfs/dbraw/zinc/10/45/98/209104598.db2.gz PDKGFLRIRCFXEF-GFCCVEGCSA-N 0 0 375.472 0.084 40 0 GCABRN O=C(c1ccco1)N1CC[C@]2(C1)Cn1c(=O)c(=O)n(CC3CCC3)nc1CO2 ZINC000306135064 209103211 /nfs/dbraw/zinc/10/32/11/209103211.db2.gz OGNFYDPYTCGJHL-IBGZPJMESA-N 0 0 386.408 0.613 40 0 GCABRN CN(C)C(=O)N1CCC2(Cc3nnc(C(=O)NCc4ccncc4)n3C2)CC1 ZINC000306126355 209098287 /nfs/dbraw/zinc/09/82/87/209098287.db2.gz DTJNPBUSXISOED-UHFFFAOYSA-N 0 0 383.456 0.923 40 0 GCABRN CN(C)S(=O)(=O)c1ccc(CCC(=O)NCCCN2CCOCC2)cc1 ZINC000223046052 208891230 /nfs/dbraw/zinc/89/12/30/208891230.db2.gz POJLVJSXUKQHCE-UHFFFAOYSA-N 0 0 383.514 0.708 40 0 GCABRN OC[C@@H]1O[C@@H](Oc2ccc3cc(Br)ccc3c2)[C@@H](O)[C@@H](O)[C@H]1O ZINC000002126594 220505174 /nfs/dbraw/zinc/50/51/74/220505174.db2.gz NLRXQZJJCPRATR-UVPYHEFZSA-N 0 0 385.210 0.781 40 0 GCABRN Cc1cc(CN2CC3(C2)[C@@H](COc2ncccn2)CCS3(=O)=O)n(C)n1 ZINC000306131061 209099512 /nfs/dbraw/zinc/09/95/12/209099512.db2.gz JVKZYHRSIHTKHP-CQSZACIVSA-N 0 0 377.470 0.587 40 0 GCABRN COc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc(CC(N)=O)cc2)cc1 ZINC000226035459 208985916 /nfs/dbraw/zinc/98/59/16/208985916.db2.gz OYJDVJDXHQDZBL-UHFFFAOYSA-N 0 0 391.449 0.982 40 0 GCABRN CNS(=O)(=O)c1ccc(C)c(NC(=O)C2CCN(S(C)(=O)=O)CC2)c1 ZINC000226076058 208986449 /nfs/dbraw/zinc/98/64/49/208986449.db2.gz KVINDRNOVITWHS-UHFFFAOYSA-N 0 0 389.499 0.513 40 0 GCABRN C[C@@H]1CN(c2ncc3c(n2)[C@@]2(CCN(C(=O)c4nc[nH]n4)C2)COC3)C[C@H](C)O1 ZINC000306123669 209097697 /nfs/dbraw/zinc/09/76/97/209097697.db2.gz ATMTXXKINRXRRW-QHRIQVFBSA-N 0 0 399.455 0.522 40 0 GCABRN CCS(=O)(=O)N1C[C@@H]2Cc3nnc(C(=O)NCc4ccccc4)n3C[C@H]2C1 ZINC000306123659 209097528 /nfs/dbraw/zinc/09/75/28/209097528.db2.gz ATFZHZGFBXHLDE-LSDHHAIUSA-N 0 0 389.481 0.662 40 0 GCABRN COCC(=O)N1CCN2C(=O)c3cc(Br)ccc3NC(=O)[C@H]2C1 ZINC000004235895 220694812 /nfs/dbraw/zinc/69/48/12/220694812.db2.gz AJLQDYHOKOWQAQ-GFCCVEGCSA-N 0 0 382.214 0.701 40 0 biogenic,in-vitro GCABRN COCCNC(=S)N(CCO)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 ZINC000004160500 220686612 /nfs/dbraw/zinc/68/66/12/220686612.db2.gz ZPOVNLLVNQGTJA-UHFFFAOYSA-N 0 0 393.465 0.615 40 0 GCABRN Cc1cn2c(nc3c2c(=O)n(C)c(=O)n3C)n1CC(=O)OCc1ccccc1 ZINC000005251861 220849416 /nfs/dbraw/zinc/84/94/16/220849416.db2.gz PRVQRUSCOOVOSG-UHFFFAOYSA-N 0 0 381.392 0.738 40 0 GCABRN COc1cccc(CC(=O)N2Cc3ccnn3[C@@H](CNS(C)(=O)=O)C2)c1 ZINC000247531109 209027103 /nfs/dbraw/zinc/02/71/03/209027103.db2.gz OSXSODWJGJNNPE-HNNXBMFYSA-N 0 0 378.454 0.567 40 0 GCABRN CN1CC2(CN(CCOCc3ccccc3)C2)OC[C@@H]1C(=O)N1CCCO1 ZINC000247961391 209028610 /nfs/dbraw/zinc/02/86/10/209028610.db2.gz FHLVAKVPHAHXAO-GOSISDBHSA-N 0 0 375.469 0.752 40 0 GCABRN COC(=O)[C@@H]1[C@H](c2ccccc2)[C@H](C(=O)OC)[C@@]2(C[C@@]1(C)O)NNC(=S)N2 ZINC000248010930 209028634 /nfs/dbraw/zinc/02/86/34/209028634.db2.gz JAOODCGAHPLYJW-CAAARAIESA-N 0 0 393.465 0.182 40 0 GCABRN Cn1cc(CN2C[C@H]3OC[C@@H](CNS(=O)(=O)c4ccccc4)[C@H]3C2)cn1 ZINC000248107355 209029678 /nfs/dbraw/zinc/02/96/78/209029678.db2.gz GHRMYSXFMQDGEP-KBAYOESNSA-N 0 0 376.482 0.845 40 0 GCABRN CNC(=O)[C@@H]1CN(C(=O)CCn2c3cc(C)ccc3oc2=O)CCN1C(C)C ZINC000257200505 209054470 /nfs/dbraw/zinc/05/44/70/209054470.db2.gz ADPLKUXMWLURQL-INIZCTEOSA-N 0 0 388.468 0.960 40 0 GCABRN CN1CCN(C(=O)c2c[nH]c(=O)[nH]2)C[C@@H]1C(=O)NCCOc1cccc(F)c1 ZINC000257248126 209059357 /nfs/dbraw/zinc/05/93/57/209059357.db2.gz JCFHKRZHEPJLJK-OAHLLOKOSA-N 0 0 391.403 0.206 40 0 GCABRN Cc1nc(C(=O)N(C)[C@@H]2CC[C@@H](N3CCOCC3)[C@@H]2O)nn1-c1ccccc1 ZINC000257246585 209060642 /nfs/dbraw/zinc/06/06/42/209060642.db2.gz IUTNNPDTVOJTIS-KZNAEPCWSA-N 0 0 385.468 0.872 40 0 GCABRN Cc1nc2cc(C(=O)N3CC[C@@](C)(O)[C@H](n4ccc(=O)[nH]c4=O)C3)ccc2[nH]1 ZINC000257267433 209063207 /nfs/dbraw/zinc/06/32/07/209063207.db2.gz MHHNCMRBDJWKNP-DNVCBOLYSA-N 0 0 383.408 0.972 40 0 GCABRN O=C(NC[C@H]1O[C@@H](CC(=O)N2CCCC2)[C@H](O)[C@@H]1O)Nc1cccc(F)c1 ZINC000008643412 221048240 /nfs/dbraw/zinc/04/82/40/221048240.db2.gz AAKDBRADQYXYSW-HDEZJCGLSA-N 0 0 381.404 0.449 40 0 biogenic,in-vitro GCABRN COC(=O)[C@@H]1C([O-])=NC(N2CCN(c3ncccn3)CC2)=[NH+][C@H]1c1ccco1 ZINC000010157566 221098508 /nfs/dbraw/zinc/09/85/08/221098508.db2.gz YTKRDAATJXWKEN-KBPBESRZSA-N 0 0 384.396 0.208 40 0 GCABRN COC(=O)[C@@H]1C([O-])=NC(N2CCN(c3ncccn3)CC2)=[NH+][C@@H]1c1ccco1 ZINC000010157568 221098618 /nfs/dbraw/zinc/09/86/18/221098618.db2.gz YTKRDAATJXWKEN-UONOGXRCSA-N 0 0 384.396 0.208 40 0 GCABRN CS(=O)(=O)c1cnc2ncnn2c1[C@@H]1CCCN(C(=O)[C@H]2CCCO2)C1 ZINC000012118928 221152984 /nfs/dbraw/zinc/15/29/84/221152984.db2.gz AUJAEBIVYMRTQN-VXGBXAGGSA-N 0 0 379.442 0.413 40 0 GCABRN CS(=O)(=O)c1cnc2ncnn2c1C1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000012118875 221153158 /nfs/dbraw/zinc/15/31/58/221153158.db2.gz WZSPSXCHYZGMHL-LBPRGKRZSA-N 0 0 379.442 0.413 40 0 GCABRN Cn1c2ccc(S(=O)(=O)NC[C@@H](O)COc3ccccc3)cc2oc1=O ZINC000012239129 221171473 /nfs/dbraw/zinc/17/14/73/221171473.db2.gz OSRYEYFEYWGLLO-GFCCVEGCSA-N 0 0 378.406 0.850 40 0 GCABRN Cc1ccc(C(=O)NC[C@H]2O[C@@H](CC(=O)N3CCC(C)CC3)[C@H](O)[C@@H]2O)cc1 ZINC000012603972 221214182 /nfs/dbraw/zinc/21/41/82/221214182.db2.gz DVGCKKWAGUGJOI-KVPLUYHFSA-N 0 0 390.480 0.863 40 0 biogenic,in-vitro GCABRN CCOc1ccc(S(=O)(=O)N(CC)CC(=O)NCCN2CCOCC2)cc1 ZINC000013633421 221277927 /nfs/dbraw/zinc/27/79/27/221277927.db2.gz WXVGZJUOCKJTCY-UHFFFAOYSA-N 0 0 399.513 0.544 40 0 GCABRN COc1ccc(OC)c(S(=O)(=O)N(C)CC(=O)N2CCC(C(N)=O)CC2)c1 ZINC000016187549 221359284 /nfs/dbraw/zinc/35/92/84/221359284.db2.gz LHHWXTYUOXLYJL-UHFFFAOYSA-N 0 0 399.469 0.048 40 0 GCABRN CC(=O)N1CCc2nc([C@@H]3CCCN3C(=O)CN3CSCC3=O)ncc2C1 ZINC000019018514 221394103 /nfs/dbraw/zinc/39/41/03/221394103.db2.gz HMXJDORILRXMFM-HNNXBMFYSA-N 0 0 389.481 0.578 40 0 GCABRN C[C@@H](C(=O)NCCn1nnn(-c2cccs2)c1=O)n1nnc2ccccc21 ZINC000019080212 221397174 /nfs/dbraw/zinc/39/71/74/221397174.db2.gz WAOYPCYJORSRJH-NSHDSACASA-N 0 0 384.425 0.613 40 0 GCABRN Cc1cc2ccccc2n2c(=O)n(C[C@H](C)NC(=O)CN3C(=O)CCC3=O)nc12 ZINC000019126922 221397974 /nfs/dbraw/zinc/39/79/74/221397974.db2.gz OTRVYBBGGJMXNV-ZDUSSCGKSA-N 0 0 395.419 0.611 40 0 GCABRN CN(C)c1ncc(C(=O)N[C@H]2CCCN(c3ncc4c(n3)CCOC4)C2)cn1 ZINC000019585445 221432512 /nfs/dbraw/zinc/43/25/12/221432512.db2.gz ZXPRXFRAUXVZOW-HNNXBMFYSA-N 0 0 383.456 0.804 40 0 GCABRN Cn1cc(C(=O)N2CCC(c3ccc(C(=O)N4CCOCC4)c(N)n3)CC2)cn1 ZINC000019754368 221452135 /nfs/dbraw/zinc/45/21/35/221452135.db2.gz ZKBWJYFMWOFDNH-UHFFFAOYSA-N 0 0 398.467 0.890 40 0 GCABRN Cc1nc(C(=O)N2CC[C@H](O)[C@@H](N3CCOCC3)CC2)nn1-c1ccccc1 ZINC000257290205 209069294 /nfs/dbraw/zinc/06/92/94/209069294.db2.gz QBZUCNNIWBTKLH-ROUUACIJSA-N 0 0 385.468 0.873 40 0 GCABRN CNC(=O)[C@H]1CN(C(=O)CCCS(=O)(=O)c2ccccc2)CCN1C(C)=O ZINC000257292708 209069614 /nfs/dbraw/zinc/06/96/14/209069614.db2.gz QMQBDCKKLDDTFP-MRXNPFEDSA-N 0 0 395.481 0.046 40 0 GCABRN COCC(=O)NC[C@@]1(O)COCCN(C(=O)c2cc3cccc(F)c3[nH]2)C1 ZINC000257299024 209070811 /nfs/dbraw/zinc/07/08/11/209070811.db2.gz ROJYCNSWHWLKKE-SFHVURJKSA-N 0 0 379.388 0.273 40 0 GCABRN CS(=O)(=O)N(CCCC(=O)NCCN1CCOCC1)c1ccc(F)cc1 ZINC000408705838 533378308 /nfs/dbraw/zinc/37/83/08/533378308.db2.gz OKDBOZHLQZIRCA-UHFFFAOYSA-N 0 0 387.477 0.820 40 0 GCABRN COCCN1C[C@@H](C(=O)N2CCC(c3n[nH]cc3C(=O)N(C)C)CC2)CC1=O ZINC000257304862 209073448 /nfs/dbraw/zinc/07/34/48/209073448.db2.gz SNLIINVLUSBECS-AWEZNQCLSA-N 0 0 391.472 0.312 40 0 GCABRN Cc1ccccc1OCCNC(=O)[C@H]1CN(C(=O)c2c[nH]c(=O)[nH]2)CCN1C ZINC000257335677 209077848 /nfs/dbraw/zinc/07/78/48/209077848.db2.gz YLJGSWMQSNZQQF-OAHLLOKOSA-N 0 0 387.440 0.375 40 0 GCABRN Cc1ccccc1OCCNC(=O)[C@@H]1CN(C(=O)c2c[nH]c(=O)[nH]2)CCN1C ZINC000257335676 209078087 /nfs/dbraw/zinc/07/80/87/209078087.db2.gz YLJGSWMQSNZQQF-HNNXBMFYSA-N 0 0 387.440 0.375 40 0 GCABRN COCCn1nnnc1CN1CCC(Nc2nc3c(c(=O)[nH]2)CCCC3)CC1 ZINC000057721279 222036398 /nfs/dbraw/zinc/03/63/98/222036398.db2.gz RVLHPPOYIPUBOV-UHFFFAOYSA-N 0 0 388.476 0.358 40 0 GCABRN CS(=O)(=O)Nc1ccc([C@H]2OCC(=O)N(Cc3ccncc3)[C@@H]2CO)cc1 ZINC000072321273 222225554 /nfs/dbraw/zinc/22/55/54/222225554.db2.gz YEKODYLLXWLQNI-SJLPKXTDSA-N 0 0 391.449 0.914 40 0 biogenic,in-vitro GCABRN O=C(CN1CC[C@@]2(CCC1=O)NC(=O)c1ccccc1O2)NC[C@H]1CCCO1 ZINC000072326020 222227000 /nfs/dbraw/zinc/22/70/00/222227000.db2.gz RUFBLEWFMGHEES-VLIAUNLRSA-N 0 0 387.436 0.813 40 0 GCABRN Cc1c([C@H]2C[C@@H](C(=O)Nc3cc(C)ccc3O)N(C)S(=O)(=O)N2)cnn1C ZINC000072335069 222230829 /nfs/dbraw/zinc/23/08/29/222230829.db2.gz PLTLZSUVCKJCSM-HIFRSBDPSA-N 0 0 393.469 0.961 40 0 GCABRN O=C(Cn1nc2n(c1=O)-c1ccccc1C1=NCCN21)NCc1cccs1 ZINC000072348073 222235042 /nfs/dbraw/zinc/23/50/42/222235042.db2.gz GIFJRBGODQYGSJ-UHFFFAOYSA-N 0 0 380.433 0.992 40 0 GCABRN COc1ccc(CC(=O)N2CCN(C(C)=O)C[C@@](O)(Cn3cccn3)C2)cc1 ZINC000072354488 222237662 /nfs/dbraw/zinc/23/76/62/222237662.db2.gz QFTBPRJXFJROPI-FQEVSTJZSA-N 0 0 386.452 0.556 40 0 GCABRN Nc1cc(-c2c[nH]nc2[C@@H]2CN(S(=O)(=O)N3CCCC3)CCO2)ccn1 ZINC000072391967 222248609 /nfs/dbraw/zinc/24/86/09/222248609.db2.gz PNDDQAFUAXNKLN-AWEZNQCLSA-N 0 0 378.458 0.768 40 0 GCABRN C[C@@]1(O)[C@H](N2CCN(Cc3ccccc3)CC2)O[C@@](C)(CO)[C@@](C)(O)[C@]1(C)O ZINC000078547103 222297476 /nfs/dbraw/zinc/29/74/76/222297476.db2.gz XOSLXWLHQVUTQP-FDKIHUSFSA-N 0 0 394.512 0.165 40 0 GCABRN CCN1C[C@@]2(CC1=O)CN(C(=O)C(C)C)CCN(C(=O)C1CCOCC1)C2 ZINC000096036205 222372571 /nfs/dbraw/zinc/37/25/71/222372571.db2.gz OFXVLKAPQQFBEC-FQEVSTJZSA-N 0 0 379.501 0.978 40 0 GCABRN O=C([C@@H]1CN(S(=O)(=O)c2ccccc2)CC12CCOCC2)N1CCOCC1 ZINC000096052228 222374358 /nfs/dbraw/zinc/37/43/58/222374358.db2.gz ZCCZPIBUOZONRU-KRWDZBQOSA-N 0 0 394.493 0.963 40 0 GCABRN CCS(=O)(=O)N1CCC2(CC[C@@]3(C(=O)N(C)C)CN(C(C)=O)C[C@@H]23)CC1 ZINC000096143812 222388686 /nfs/dbraw/zinc/38/86/86/222388686.db2.gz QRWGNSTUYRCJLH-MAUKXSAKSA-N 0 0 385.530 0.765 40 0 GCABRN CN(C)C(=O)N1CCN(C)[C@H](c2nnc3ccc(C(=O)N4CCCC4)cn32)C1 ZINC000096156761 222393841 /nfs/dbraw/zinc/39/38/41/222393841.db2.gz OYDCQVKRHKMSHQ-HNNXBMFYSA-N 0 0 385.472 0.935 40 0 GCABRN COCCN(C)C(=O)c1ncn2c1nccc2C1CCN(S(C)(=O)=O)CC1 ZINC000096155728 222394133 /nfs/dbraw/zinc/39/41/33/222394133.db2.gz DHOZYVFOCLIIOW-UHFFFAOYSA-N 0 0 395.485 0.587 40 0 GCABRN CN1Cc2c(C(=O)NC[C@H]3CCCO3)ncn2-c2ccccc2S1(=O)=O ZINC000096266104 222405778 /nfs/dbraw/zinc/40/57/78/222405778.db2.gz COSBBFKOAQZJDV-GFCCVEGCSA-N 0 0 376.438 0.915 40 0 GCABRN CS(=O)(=O)c1ccc(O[C@H]2COCCN(C(=O)c3cnccn3)C2)cc1 ZINC000096269028 222406669 /nfs/dbraw/zinc/40/66/69/222406669.db2.gz GBNIQAYDVVUHLQ-CQSZACIVSA-N 0 0 377.422 0.800 40 0 biogenic,in-vitro GCABRN O=C(NCCO)C(=O)Nc1ccccc1C(=O)NCc1ccc2c(c1)OCO2 ZINC000408710155 534365293 /nfs/dbraw/zinc/36/52/93/534365293.db2.gz QIJMDVNHVNWXLC-UHFFFAOYSA-N 0 0 385.376 0.392 40 0 GCABRN O=C(COc1ccc(S(=O)(=O)N2CCOCC2)cc1Cl)NCCCO ZINC000408589154 534626581 /nfs/dbraw/zinc/62/65/81/534626581.db2.gz DSBCGDPTALDZJM-UHFFFAOYSA-N 0 0 392.861 0.238 40 0 GCABRN CC(=O)OC(OC(C)=O)[C@@]12C=C[C@@H](O1)[C@@H]1C(=O)N(Cc3ccco3)C(=O)[C@H]12 ZINC000409287588 527111306 /nfs/dbraw/zinc/11/13/06/527111306.db2.gz WYAXTVOEWSIHGZ-COJSNBRMSA-N 0 0 375.333 0.541 40 0 GCABRN CCOc1ccc(S(=O)(=O)N[C@H](C)C(=O)NCCCN2CCOCC2)cc1 ZINC000408604148 528585252 /nfs/dbraw/zinc/58/52/52/528585252.db2.gz LAZTXVISGJUBIQ-OAHLLOKOSA-N 0 0 399.513 0.591 40 0 GCABRN CC1(C)Oc2ccc(C(=O)NC3CC3)cc2N(CC(=O)N2CCOCC2)C1=O ZINC000004354902 535004532 /nfs/dbraw/zinc/00/45/32/535004532.db2.gz JAPBCLZIXMPJJQ-UHFFFAOYSA-N 0 0 387.436 0.942 40 0 GCABRN CC(=O)N1CCN(C[C@@H]2OC[C@H](NC(=O)c3ccc(F)c(Cl)c3)[C@H]2O)CC1 ZINC000514289386 560032825 /nfs/dbraw/zinc/03/28/25/560032825.db2.gz RUGHPZJEMYICSW-YESZJQIVSA-N 0 0 399.850 0.501 40 0 biogenic,in-vitro GCABRN O=S(=O)(NC[C@@]1(COc2cnccn2)C[C@@H](O)[C@@H](O)C1)c1ccc(F)cc1 ZINC000107430573 560044901 /nfs/dbraw/zinc/04/49/01/560044901.db2.gz JFYNFUAEEHOVKD-SCAQPMJSSA-N 0 0 397.428 0.475 40 0 biogenic,in-vitro GCABRN Cc1noc(C)c1S(=O)(=O)NC[C@@]1(COc2cccnc2)C[C@@H](O)[C@@H](O)C1 ZINC000107430694 560044937 /nfs/dbraw/zinc/04/49/37/560044937.db2.gz AWEAMJJOAKMLQF-SCAQPMJSSA-N 0 0 397.453 0.546 40 0 biogenic,in-vitro GCABRN CS(=O)(=O)N1C[C@@H]2C[C@H](C1)c1ccc(NC(=O)c3ccncc3)c(=O)n1C2 ZINC000004236535 560197663 /nfs/dbraw/zinc/19/76/63/560197663.db2.gz RVWGVNSRKLHWPX-GXTWGEPZSA-N 0 0 388.449 0.874 40 0 biogenic,in-vitro GCABRN CN(C)Cc1cn([C@H]2CO[C@H]3[C@@H]2OC[C@@H]3NC(=O)NC2CCCCC2)nn1 ZINC000004260894 560198076 /nfs/dbraw/zinc/19/80/76/560198076.db2.gz XEBHYCJHJBGQOT-MWDXBVQZSA-N 0 0 378.477 0.679 40 0 biogenic,in-vitro GCABRN COCC(=O)N[C@H]1CO[C@H]2[C@@H]1OC[C@@H]2Nc1nccc(-c2cccc(F)c2)n1 ZINC000005440194 560202124 /nfs/dbraw/zinc/20/21/24/560202124.db2.gz LFACFSSFPGPXLQ-CWLKWCNXSA-N 0 0 388.399 0.992 40 0 biogenic,in-vitro GCABRN Cn1nccc1C(=O)N1CCO[C@H](C(=O)N2CCN(c3ccccc3)CC2)C1 ZINC000019747347 570213946 /nfs/dbraw/zinc/21/39/46/570213946.db2.gz OPMHDLHHYPYQPG-SFHVURJKSA-N 0 0 383.452 0.610 40 0 GCABRN O=C(Cn1cc(NC(=O)c2ccc(F)cc2)cn1)N1CCS(=O)(=O)CC1 ZINC000019749801 570215083 /nfs/dbraw/zinc/21/50/83/570215083.db2.gz KSGTXALVMPQKTF-UHFFFAOYSA-N 0 0 380.401 0.532 40 0 GCABRN Cc1noc(C)c1CN1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@H]2C(=O)N1CCOCC1 ZINC000096251019 570224427 /nfs/dbraw/zinc/22/44/27/570224427.db2.gz CSPXELJGOMTEOJ-DJIMGWMZSA-N 0 0 397.497 0.385 40 0 GCABRN CCCCCC(=O)[C@@](C)(C1=Nc2nnc(N)n2C1=O)C1=NC(=O)c2nnc(N)n21 ZINC000019924419 570229475 /nfs/dbraw/zinc/22/94/75/570229475.db2.gz QETSVAJRYMQKAN-INIZCTEOSA-N 0 0 398.387 0.017 40 0 GCABRN Cc1ccc(C)c(N(CC(=O)NCCN2CCOCC2)S(=O)(=O)N(C)C)c1 ZINC000020244952 570249802 /nfs/dbraw/zinc/24/98/02/570249802.db2.gz DIONEVJWPLXBSN-UHFFFAOYSA-N 0 0 398.529 0.365 40 0 GCABRN CC(=O)OC(OC(C)=O)[C@]12C=C[C@H](O1)[C@H]1C(=O)N(Cc3ccccc3)C(=O)[C@@H]12 ZINC000005283623 570252595 /nfs/dbraw/zinc/25/25/95/570252595.db2.gz WJVSUUOYTGGIPB-QCBUCWTNSA-N 0 0 385.372 0.948 40 0 GCABRN O=S(=O)(c1ccccc1)N1C[C@@H](O)[C@](O)(C[NH2+]CCOc2ccccc2)C1 ZINC000585290544 570257624 /nfs/dbraw/zinc/25/76/24/570257624.db2.gz CIDDJUJGFQFEKC-MOPGFXCFSA-N 0 0 392.477 0.452 40 0 GCABRN CN(C)S(=O)(=O)N(CC(=O)NCCCn1ccnc1)c1ccccc1F ZINC000020488742 570262696 /nfs/dbraw/zinc/26/26/96/570262696.db2.gz UARGTPOEMAJYBW-UHFFFAOYSA-N 0 0 383.449 0.842 40 0 GCABRN CCOC(=O)CNC(=O)CNC(=O)CCCCSc1ncnc2[nH]cnc21 ZINC000005349682 570270725 /nfs/dbraw/zinc/27/07/25/570270725.db2.gz DSRLCTKSLAKKSX-UHFFFAOYSA-N 0 0 394.457 0.411 40 0 GCABRN COc1ccccc1NC(=O)[C@@H]1CC(=O)Nc2nc(N3CCOCC3)nc(N)c21 ZINC000020800028 570281056 /nfs/dbraw/zinc/28/10/56/570281056.db2.gz JECFVACQKRBTQM-LLVKDONJSA-N 0 0 398.423 0.969 40 0 GCABRN Cc1cccc(NC(=O)[C@H]2CC(=O)Nc3nc(N4CCOCC4)[nH]c(=O)c32)c1 ZINC000020800149 570281180 /nfs/dbraw/zinc/28/11/80/570281180.db2.gz QTEADDJOEWOOJO-ZDUSSCGKSA-N 0 0 383.408 0.979 40 0 GCABRN CN(C)S(=O)(=O)c1ccc(CNC(=O)C(=O)NCCc2ccccc2)cc1 ZINC000020768949 570281918 /nfs/dbraw/zinc/28/19/18/570281918.db2.gz PRDPRHQBCWIHSZ-UHFFFAOYSA-N 0 0 389.477 0.912 40 0 GCABRN [NH3+]CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)[O-] ZINC000002561042 570290896 /nfs/dbraw/zinc/29/08/96/570290896.db2.gz QAMMIGULQSIRCD-IRXDYDNUSA-N 0 0 385.420 0.190 40 0 GCABRN CC(C)(C)NC(=O)CN(Cc1cccnc1)C(=O)c1snc(C(N)=O)c1N ZINC000004128142 570359022 /nfs/dbraw/zinc/35/90/22/570359022.db2.gz NFHATERMFKOTAP-UHFFFAOYSA-N 0 0 390.469 0.776 40 0 GCABRN CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C)C(=O)NCC(N)=O ZINC000004354364 570370398 /nfs/dbraw/zinc/37/03/98/570370398.db2.gz MZKJRCQSMFAOCW-STQMWFEESA-N 0 0 384.477 0.518 40 0 GCABRN COc1cccc(N([C@@H](C)C(=O)NCCN2CCOCC2)S(C)(=O)=O)c1 ZINC000220175113 570383573 /nfs/dbraw/zinc/38/35/73/570383573.db2.gz FUAGZSUPXDFAJG-AWEZNQCLSA-N 0 0 385.486 0.298 40 0 GCABRN CC(C)(C)OC(=O)NCC(=O)NCCCNC(=O)CNC(=O)OC(C)(C)C ZINC000031847682 570386299 /nfs/dbraw/zinc/38/62/99/570386299.db2.gz FEEGJHDJTLSNJB-UHFFFAOYSA-N 0 0 388.465 0.658 40 0 GCABRN CCCCNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(-n3cnnn3)cc2)C1 ZINC000004861052 570413362 /nfs/dbraw/zinc/41/33/62/570413362.db2.gz AVCYCHKWRYXQQT-CQSZACIVSA-N 0 0 392.485 0.979 40 0 GCABRN CC(=O)OC[C@@H]1O[C@@H](n2cc(C(F)(F)F)c(=O)[nH]c2=O)C[C@@H]1OC(C)=O ZINC000004974692 570420746 /nfs/dbraw/zinc/42/07/46/570420746.db2.gz UNTYIYCXVYMWKI-GARJFASQSA-N 0 0 380.275 0.338 40 0 GCABRN COC(=O)[C@@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)OCc1ccccc1 ZINC000004994467 570422456 /nfs/dbraw/zinc/42/24/56/570422456.db2.gz HUBNAZBHTDOFGE-LSDHHAIUSA-N 0 0 393.440 0.861 40 0 GCABRN COCCCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CN(C)S(C)(=O)=O ZINC000222739037 570423187 /nfs/dbraw/zinc/42/31/87/570423187.db2.gz GUUDNVUSSQZWBL-OAHLLOKOSA-N 0 0 399.513 0.448 40 0 GCABRN COCCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CN(C)S(C)(=O)=O ZINC000222738950 570423249 /nfs/dbraw/zinc/42/32/49/570423249.db2.gz PDPYBNPBFHBCSI-AWEZNQCLSA-N 0 0 385.486 0.058 40 0 GCABRN CS(=O)(=O)N1CCC(C(=O)Nc2ccccc2C(=O)N2CCOCC2)CC1 ZINC000027976825 570447095 /nfs/dbraw/zinc/44/70/95/570447095.db2.gz IAVJDMMSHVXHHW-UHFFFAOYSA-N 0 0 395.481 0.769 40 0 GCABRN Cc1cc(=O)oc2cc(NC(=O)[C@@H]3CCC(=O)N3C(=O)[C@H]3CCC(=O)N3)ccc12 ZINC000005792747 570456952 /nfs/dbraw/zinc/45/69/52/570456952.db2.gz SHGOIFDEBDGGCG-KGLIPLIRSA-N 0 0 397.387 0.836 40 0 GCABRN CCOc1ccc(N(CC(=O)N2CCC(C(N)=O)CC2)S(C)(=O)=O)cc1 ZINC000000785646 570481168 /nfs/dbraw/zinc/48/11/68/570481168.db2.gz OQAFJFSKJAKYQF-UHFFFAOYSA-N 0 0 383.470 0.575 40 0 GCABRN Nc1nc2c(ncn2[C@@H]2CO[C@@H]3CO[C@@H](c4ccccc4)O[C@H]3[C@H]2O)c(=O)[nH]1 ZINC000137354440 570482433 /nfs/dbraw/zinc/48/24/33/570482433.db2.gz FJQZMKOLPNCYSV-KRNVLHRQSA-N 0 0 385.380 0.117 40 0 GCABRN CCOC(=O)CNC(=O)CSc1nnnn1-c1ccc2c(c1)OCCO2 ZINC000006546556 570483119 /nfs/dbraw/zinc/48/31/19/570483119.db2.gz IDYCCDVLOXNGLU-UHFFFAOYSA-N 0 0 379.398 0.205 40 0 GCABRN COc1ccc(C(=O)NCCN2CCOCC2)cc1S(=O)(=O)NC(C)C ZINC000030096263 570486178 /nfs/dbraw/zinc/48/61/78/570486178.db2.gz YKWFVKOHNBQSHX-UHFFFAOYSA-N 0 0 385.486 0.444 40 0 GCABRN COC(=O)[C@@H](C)N(C(=O)Cc1ccc(OC)c(OC)c1)[C@H]1CCS(=O)(=O)C1 ZINC000032641434 570513043 /nfs/dbraw/zinc/51/30/43/570513043.db2.gz AQHJUPSRPLUUOF-OCCSQVGLSA-N 0 0 399.465 0.824 40 0 GCABRN COCC(=O)NCC[C@@H]1CCOC12CN(S(=O)(=O)c1ccc(C)cc1)C2 ZINC000575403467 570519915 /nfs/dbraw/zinc/51/99/15/570519915.db2.gz LJEXHSMTAKLWOQ-OAHLLOKOSA-N 0 0 382.482 0.927 40 0 GCABRN COCCn1ccc(C(=O)N2C[C@H]3OC[C@H](CNC(=O)c4cccnc4)[C@H]3C2)n1 ZINC000575406740 570522771 /nfs/dbraw/zinc/52/27/71/570522771.db2.gz RMUIZNWFCBOORY-LZLYRXPVSA-N 0 0 399.451 0.442 40 0 GCABRN CCNC(=O)[C@@H]1CC(=O)Nc2nc(N3CCC[C@H](C(=O)OCC)C3)[nH]c(=O)c21 ZINC000036069592 570554228 /nfs/dbraw/zinc/55/42/28/570554228.db2.gz FDEXWYYJXFRXPA-WDEREUQCSA-N 0 0 391.428 0.111 40 0 GCABRN Cc1ccc(CN(CC(=O)NCCCN2CCOCC2)S(C)(=O)=O)cc1 ZINC000225186687 570554438 /nfs/dbraw/zinc/55/44/38/570554438.db2.gz WMXUCMCRTQJKMP-UHFFFAOYSA-N 0 0 383.514 0.595 40 0 GCABRN COc1ccc(S(=O)(=O)N2CCOCC2)cc1CCC(=O)N1CCOCC1 ZINC000225279342 570561350 /nfs/dbraw/zinc/56/13/50/570561350.db2.gz ZUMJGJLQBMGEIU-UHFFFAOYSA-N 0 0 398.481 0.508 40 0 GCABRN CNC(=S)N1CCC(NC(=O)[C@H](Cc2ccc(OC)cc2)NC(C)=O)CC1 ZINC000001325383 570566387 /nfs/dbraw/zinc/56/63/87/570566387.db2.gz SHYUFOHTKFNBSJ-KRWDZBQOSA-N 0 0 392.525 0.827 40 0 GCABRN COC(=O)[C@H]1C([O-])=NC(N2CCN(c3ncccn3)CC2)=[NH+][C@@H]1c1ccco1 ZINC000010157567 570566502 /nfs/dbraw/zinc/56/65/02/570566502.db2.gz YTKRDAATJXWKEN-ZIAGYGMSSA-N 0 0 384.396 0.208 40 0 GCABRN CC(C)CNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(-n3cnnn3)cc2)C1 ZINC000001363808 570577749 /nfs/dbraw/zinc/57/77/49/570577749.db2.gz VUYYIVRINKTMEC-AWEZNQCLSA-N 0 0 392.485 0.835 40 0 GCABRN O=C(NCCc1ccccc1)[C@H]1CC(=O)Nc2nc(N3CCOCC3)[nH]c(=O)c21 ZINC000038828184 570583628 /nfs/dbraw/zinc/58/36/28/570583628.db2.gz UFRMJNZDTRBMMB-AWEZNQCLSA-N 0 0 397.435 0.391 40 0 GCABRN CCOC(=O)N1CCN(C(=O)[C@H]2CN(S(C)(=O)=O)c3ccccc3O2)CC1 ZINC000038836423 570587101 /nfs/dbraw/zinc/58/71/01/570587101.db2.gz MQIRWHNBBCGCKI-OAHLLOKOSA-N 0 0 397.453 0.514 40 0 GCABRN NC(=O)NC(=O)[C@@H]1CC(=O)Nc2nc(Nc3ccc(Cl)cc3)[nH]c(=O)c21 ZINC000040399334 570603025 /nfs/dbraw/zinc/60/30/25/570603025.db2.gz JQFGILJZVQZXCH-MRVPVSSYSA-N 0 0 376.760 0.788 40 0 GCABRN CCn1c2cc(C)oc2c2cnn(CC(=O)N3CCC(C(N)=O)CC3)c(=O)c21 ZINC000012131842 570613663 /nfs/dbraw/zinc/61/36/63/570613663.db2.gz UNSVNDZBQJXCIR-UHFFFAOYSA-N 0 0 385.424 0.996 40 0 GCABRN C[C@@H](Cn1nnn(-c2ccccc2)c1=O)NC(=O)Cc1ccc2c(c1)OCO2 ZINC000012145878 570616724 /nfs/dbraw/zinc/61/67/24/570616724.db2.gz BXMYYIJHSYIYNB-ZDUSSCGKSA-N 0 0 381.392 0.905 40 0 GCABRN CS(=O)(=O)c1cncnc1[C@H]1CCCN(CC(=O)NCc2ccco2)C1 ZINC000012154668 570618149 /nfs/dbraw/zinc/61/81/49/570618149.db2.gz YRIHPWBVMAQFLJ-ZDUSSCGKSA-N 0 0 378.454 0.969 40 0 GCABRN CC(C)c1nc2ccccc2c2nn(CC(=O)N3CCC(C(N)=O)CC3)c(=O)n21 ZINC000012181919 570619267 /nfs/dbraw/zinc/61/92/67/570619267.db2.gz CYRCMAKXOHIFLD-UHFFFAOYSA-N 0 0 396.451 0.892 40 0 GCABRN COCCNC(=O)CN(C(=O)c1snc(C(N)=O)c1N)c1ccccc1F ZINC000004213719 570622973 /nfs/dbraw/zinc/62/29/73/570622973.db2.gz WNDQATSYSXSFBV-UHFFFAOYSA-N 0 0 395.416 0.373 40 0 GCABRN O=C(O[C@H]1[C@H](O)[C@H](O)[C@H](CO)O[C@@H]1Oc1ccccc1CO)c1ccccc1 ZINC000043199458 570625794 /nfs/dbraw/zinc/62/57/94/570625794.db2.gz FWPNCAYVELBDRB-JAYZULETSA-N 0 0 390.388 0.222 40 0 GCABRN CCOC(=O)CN(c1ccc(Cc2nc(C)cc(=O)[nH]2)cc1)S(C)(=O)=O ZINC000226106546 570641744 /nfs/dbraw/zinc/64/17/44/570641744.db2.gz TUKVSJRVLLSDRW-UHFFFAOYSA-N 0 0 379.438 0.998 40 0 GCABRN NS(=O)(=O)c1ccc(NC(=O)CCN2C(=O)[C@H]3[C@H]4C=C[C@H](C4)[C@@H]3C2=O)cc1 ZINC000005051278 570658115 /nfs/dbraw/zinc/65/81/15/570658115.db2.gz MLGQBKYRTAGSPE-OJXGSEEGSA-N 0 0 389.433 0.470 40 0 GCABRN Cn1c2nc(N3CCNC3=S)n(Cc3ccc(F)cc3)c2c(=O)n(C)c1=O ZINC000005626185 570665581 /nfs/dbraw/zinc/66/55/81/570665581.db2.gz VAOARBZARNSTKS-UHFFFAOYSA-N 0 0 388.428 0.316 40 0 GCABRN O=C(NC[C@H]1CCCO1)C1=NO[C@@]2(CCN(S(=O)(=O)c3cccs3)C2)C1 ZINC000247504679 570715590 /nfs/dbraw/zinc/71/55/90/570715590.db2.gz REKMWJZNLWANDN-WBMJQRKESA-N 0 0 399.494 0.953 40 0 GCABRN CN(C)c1cc(N2CC3(C2)C[C@@H](OCC(=O)N2CCCC2)CCO3)ncn1 ZINC000248081045 570720337 /nfs/dbraw/zinc/72/03/37/570720337.db2.gz CPSFIMDHUGUGCI-HNNXBMFYSA-N 0 0 375.473 0.919 40 0 GCABRN CC(C)(C)OC(=O)N1CCN(C(=O)c2ccccn2)[C@H]2CS(=O)(=O)C[C@H]21 ZINC000253495505 570733143 /nfs/dbraw/zinc/73/31/43/570733143.db2.gz GVEXXDUPPZYNII-UONOGXRCSA-N 0 0 381.454 0.940 40 0 GCABRN COC(=O)c1ccc([C@H]2N=c3ccccc3=C3C(=O)N=C(SC)NN32)cc1 ZINC000588225028 570744014 /nfs/dbraw/zinc/74/40/14/570744014.db2.gz IMDKGCGAEGLACH-INIZCTEOSA-N 0 0 380.429 0.979 40 0 GCABRN OC[C@@H]1O[C@H](n2cnc3c2ncnc3NCc2ccccc2Cl)[C@H](O)[C@@H]1O ZINC000006926909 570750970 /nfs/dbraw/zinc/75/09/70/570750970.db2.gz AIFYZXYYAFRRQV-VYHVBIQSSA-N 0 0 391.815 0.703 40 0 GCABRN Cc1ccc(Cl)c(OCC(=O)N(C)[C@@H]2CC[C@@H](N3CCNC(=O)C3)[C@@H]2O)c1 ZINC000257205360 570760610 /nfs/dbraw/zinc/76/06/10/570760610.db2.gz AYRCTVZOPFXDLO-SPYBWZPUSA-N 0 0 395.887 0.809 40 0 GCABRN Cc1ccc(NC(=O)CN2CC[C@@]3(CCCN3S(C)(=O)=O)[C@@H](O)C2)cc1F ZINC000257205954 570760761 /nfs/dbraw/zinc/76/07/61/570760761.db2.gz BBFJTPMCSCNPLB-WMZOPIPTSA-N 0 0 399.488 0.933 40 0 GCABRN Cc1ccc(F)c(NC(=O)CN2CC[C@@]3(CCCN3S(C)(=O)=O)[C@@H](O)C2)c1 ZINC000257226880 570764008 /nfs/dbraw/zinc/76/40/08/570764008.db2.gz FMORYNFSIKERCQ-WMZOPIPTSA-N 0 0 399.488 0.933 40 0 GCABRN Cc1nc(N)nc(C)c1CCC(=O)N1CCN(Cc2ccccc2)[C@@H](C(N)=O)C1 ZINC000257243270 570768755 /nfs/dbraw/zinc/76/87/55/570768755.db2.gz IGDQPKQSLNUCMO-GOSISDBHSA-N 0 0 396.495 0.807 40 0 GCABRN CN(CC1(O)CCN(c2nccn3cccc23)CC1)C(=O)[C@@H]([NH3+])CCC(=O)[O-] ZINC000257318173 570780856 /nfs/dbraw/zinc/78/08/56/570780856.db2.gz VMTVFKYXMUUPNG-AWEZNQCLSA-N 0 0 389.456 0.316 40 0 GCABRN CNC(=O)[C@@H]1CN(C(=O)c2cnc(N(C)C)nc2)CCN1CCc1ccccc1 ZINC000257325452 570782042 /nfs/dbraw/zinc/78/20/42/570782042.db2.gz WSZFIQHVYPRTAI-SFHVURJKSA-N 0 0 396.495 0.658 40 0 GCABRN COC(=O)[C@]1(CCSC)N[C@H](c2ccc(O)cc2)[C@H]2C(=O)N(C)C(=O)[C@@H]21 ZINC000012495902 570807519 /nfs/dbraw/zinc/80/75/19/570807519.db2.gz NUBVHDVGVPFZKT-HNSFDTNUSA-N 0 0 378.450 0.932 40 0 GCABRN CCCS(=O)(=O)N1Cc2ccnn2[C@H](CC(=O)NCC2CCOCC2)C1 ZINC000585095241 570921724 /nfs/dbraw/zinc/92/17/24/570921724.db2.gz LZEKBOANVDYYAZ-MRXNPFEDSA-N 0 0 384.502 0.913 40 0 GCABRN COCCNC(=O)c1cn2c(n1)[C@H](C)N(C(=O)c1ccn(CCOC)n1)CC2 ZINC000585096307 570923172 /nfs/dbraw/zinc/92/31/72/570923172.db2.gz HJZLMIXCGLBCTH-ZDUSSCGKSA-N 0 0 390.444 0.319 40 0 GCABRN COCCn1nccc1C(=O)N1CCC[C@]2(CCN2CC(=O)N2CCCC2)C1 ZINC000585102129 570927988 /nfs/dbraw/zinc/92/79/88/570927988.db2.gz SSPCRZZETHJTTJ-FQEVSTJZSA-N 0 0 389.500 0.832 40 0 GCABRN O=C(N[C@H]1CCS(=O)(=O)C1)C1=NO[C@]2(C1)CCCN(Cc1ccccn1)C2 ZINC000585101055 570928668 /nfs/dbraw/zinc/92/86/68/570928668.db2.gz ACGAFYACDZJQJH-YJBOKZPZSA-N 0 0 392.481 0.496 40 0 GCABRN COC[C@@H]1CC2(CN1S(C)(=O)=O)CCN(C(=O)Cc1ccn(C)n1)CC2 ZINC000585103512 570932085 /nfs/dbraw/zinc/93/20/85/570932085.db2.gz HQZZVEBYFCQWAI-HNNXBMFYSA-N 0 0 384.502 0.252 40 0 GCABRN CN(C)C(=O)N1CC[C@]2(C1)CN(C)C[C@@H](C(=O)N(C)Cc1ccccn1)O2 ZINC000306131585 570939952 /nfs/dbraw/zinc/93/99/52/570939952.db2.gz KJEXRCYFKJTYGC-QFBILLFUSA-N 0 0 375.473 0.497 40 0 GCABRN CC(C)N1[C@@H]2CN(Cc3cnn(C)c3)C[C@H]2N(C)c2ncccc2S1(=O)=O ZINC000306135379 570942129 /nfs/dbraw/zinc/94/21/29/570942129.db2.gz OPJHQJLESGUQBX-HZPDHXFCSA-N 0 0 390.513 0.917 40 0 GCABRN Cn1nccc1C(=O)N1CC[C@@]2(C1)CCn1ncnc1[C@@H]2NC(=O)C1CCC1 ZINC000306137359 570943053 /nfs/dbraw/zinc/94/30/53/570943053.db2.gz QUDMGHBFOAAHMO-KXBFYZLASA-N 0 0 383.456 0.905 40 0 GCABRN Cn1nccc1C(=O)N1CC[C@]2(C1)CCn1ncnc1[C@H]2NC(=O)C1CCC1 ZINC000306137357 570943305 /nfs/dbraw/zinc/94/33/05/570943305.db2.gz QUDMGHBFOAAHMO-DNVCBOLYSA-N 0 0 383.456 0.905 40 0 GCABRN CC(=O)c1cc(C(=O)N2CCc3ncnc(N4CCN(C)CC4)c3CC2)[nH]n1 ZINC000585110521 570944129 /nfs/dbraw/zinc/94/41/29/570944129.db2.gz ZJKSGDAYHFAQCQ-UHFFFAOYSA-N 0 0 383.456 0.395 40 0 GCABRN Cn1cccc1C(=O)N1CCO[C@H](Cn2nnc3c2ncnc3N2CCCC2)C1 ZINC000306140339 570944835 /nfs/dbraw/zinc/94/48/35/570944835.db2.gz UQLXOOFDRMSQSF-AWEZNQCLSA-N 0 0 396.455 0.701 40 0 GCABRN O=C(CCCN1C(=O)CNC1=O)N1CC[C@]2(C1)CCc1ccccc1C(=O)N2 ZINC000019375188 570981737 /nfs/dbraw/zinc/98/17/37/570981737.db2.gz PNXCFWXAWAHAEL-FQEVSTJZSA-N 0 0 384.436 0.666 40 0 GCABRN C[C@H](Cc1ccccn1)NC(=O)[C@H]1CCCN(S(=O)(=O)c2cnn(C)c2)C1 ZINC000019457015 570987619 /nfs/dbraw/zinc/98/76/19/570987619.db2.gz GBDFGYTWDXMMBV-CABCVRRESA-N 0 0 391.497 0.963 40 0 GCABRN CCc1cc(=O)[nH]c([C@@H]2CCCN2C(=O)C2CCN(S(C)(=O)=O)CC2)n1 ZINC000019522522 570995437 /nfs/dbraw/zinc/99/54/37/570995437.db2.gz LKJKJSNDOZVXHH-AWEZNQCLSA-N 0 0 382.486 0.667 40 0 GCABRN CNC(=O)[C@@H]1CN(C(=O)c2cn(CCOC)c3ccccc23)CCN1C(C)=O ZINC000585168382 570996211 /nfs/dbraw/zinc/99/62/11/570996211.db2.gz KVTWEJYOMXOPTI-SFHVURJKSA-N 0 0 386.452 0.707 40 0 GCABRN CCn1cc(S(=O)(=O)NCc2cc(=O)[nH]c(N3CCC(C)CC3)n2)cn1 ZINC000019525108 570996805 /nfs/dbraw/zinc/99/68/05/570996805.db2.gz JUOAHGIQZGFHSP-UHFFFAOYSA-N 0 0 380.474 0.701 40 0 GCABRN CCN1C[C@H](C(=O)N2CCc3nc([C@H]4CCCN4C(C)=O)ncc3C2)CC1=O ZINC000019526960 570997685 /nfs/dbraw/zinc/99/76/85/570997685.db2.gz WPWJYZMTMINMKN-RHSMWYFYSA-N 0 0 385.468 0.913 40 0 GCABRN CNC(=O)[C@@H]1CN(C(=O)c2ocnc2C)C[C@H]1c1ccnc(N2CCCC2)n1 ZINC000019559602 571004934 /nfs/dbraw/zinc/00/49/34/571004934.db2.gz MTYBNSBPEPZPBU-ZIAGYGMSSA-N 0 0 384.440 0.975 40 0 GCABRN CN(C)C(=O)[C@@H]1CN(C(=O)c2cccnc2)C[C@]12Cc1ccccc1C(=O)N2 ZINC000019581153 571013259 /nfs/dbraw/zinc/01/32/59/571013259.db2.gz QMAYNEPWQNDDIY-LAUBAEHRSA-N 0 0 378.432 0.967 40 0 GCABRN CN(C)c1ncc2c(cc(C3CCN(C(=O)Cn4ccnc4)CC3)[nH]c2=O)n1 ZINC000019585735 571015138 /nfs/dbraw/zinc/01/51/38/571015138.db2.gz QIPHLPYMGHSHSU-UHFFFAOYSA-N 0 0 381.440 0.987 40 0 GCABRN Cn1ncc2c1ncn(CC(=O)Nc1cc(F)ccc1N1CCOCC1)c2=O ZINC000019662700 571026637 /nfs/dbraw/zinc/02/66/37/571026637.db2.gz PVLOEJOTDZHODM-UHFFFAOYSA-N 0 0 386.387 0.744 40 0 GCABRN COc1ccc(S(=O)(=O)N2CCC(c3nnc4n3CCNC4)CC2)cc1 ZINC000019711261 571035051 /nfs/dbraw/zinc/03/50/51/571035051.db2.gz YCGDNGGEBYTMRP-UHFFFAOYSA-N 0 0 377.470 0.958 40 0 GCABRN O=C(NC[C@H]1O[C@@H](CO)[C@@H](O)[C@H]1N1CCOCC1)c1ccc(F)c(Cl)c1 ZINC000020464808 575366832 /nfs/dbraw/zinc/36/68/32/575366832.db2.gz KIZYMZFGBMSTAW-FXUDXRNXSA-N 0 0 388.823 0.030 40 0 biogenic,in-vitro GCABRN Cn1ncnc1-c1ccc2c(c1)NC(=O)CN1CCN(C(=O)C3CC3)C[C@@H]1CO2 ZINC001772594836 1187040424 /nfs/dbraw/zinc/04/04/24/1187040424.db2.gz ZILVJJYYCUWAIN-OAHLLOKOSA-N 0 0 396.451 0.736 40 0 GCABRN CCN1C(=O)[C@H]2CN(S(=O)(=O)c3c(C)noc3C)CCN2C12CCOCC2 ZINC001772595482 1187054208 /nfs/dbraw/zinc/05/42/08/1187054208.db2.gz AMIRNSDFTBPZCN-CQSZACIVSA-N 0 0 398.485 0.335 40 0 GCABRN CC(=O)N[C@]12CN(C(C)=O)C[C@H]1CN(S(=O)(=O)c1ccc(F)c(C)c1)CC2 ZINC000019712995 1199838293 /nfs/dbraw/zinc/83/82/93/1199838293.db2.gz NMZVMYBDGLICCW-MAUKXSAKSA-N 0 0 397.472 0.882 40 0 GCABRN COc1ccc(Cl)cc1S(=O)(=O)N[C@H](C)C(=O)N1CCN(C)CC1 ZINC000408620868 231082886 /nfs/dbraw/zinc/08/28/86/231082886.db2.gz KCAUMQPSZPWYSF-LLVKDONJSA-N 0 0 375.878 0.789 40 0 GCABRN Cc1ccc(S(=O)(=O)NCCN2CCOCC2)cc1C(=O)N1CCOCC1 ZINC000408627017 231087212 /nfs/dbraw/zinc/08/72/12/231087212.db2.gz XIVMDJCOFFAFFR-UHFFFAOYSA-N 0 0 397.497 0.078 40 0 GCABRN O=C(COc1ccc(/C=c2/sc3n(c2=O)CCN=3)cc1)NC[C@H]1CCCO1 ZINC000408867250 231123662 /nfs/dbraw/zinc/12/36/62/231123662.db2.gz KUPNBMSOFVHXKD-VGVSSDJJSA-N 0 0 387.461 0.046 40 0 GCABRN CN(Cc1ccc(OCC(=O)NCCCN2CCOCC2)cc1)S(C)(=O)=O ZINC000408703473 529989771 /nfs/dbraw/zinc/98/97/71/529989771.db2.gz SGQGRVVMTHESTF-UHFFFAOYSA-N 0 0 399.513 0.295 40 0 GCABRN COCCNC(=O)C[C@@H]1C[C@H]2O[C@H](CNC(=O)NC3CCCCC3)[C@@H](O)[C@H]2O1 ZINC000225516369 222681409 /nfs/dbraw/zinc/68/14/09/222681409.db2.gz NHHSPTZBHNNUHT-GRLWTPEZSA-N 0 0 399.488 0.057 40 0 biogenic,in-vitro GCABRN O=C(COc1ccc(Cl)cc1S(=O)(=O)N1CCOCC1)NCCCO ZINC000022249198 530149158 /nfs/dbraw/zinc/14/91/58/530149158.db2.gz YWMBQQHHIVZJMC-UHFFFAOYSA-N 0 0 392.861 0.238 40 0 GCABRN COC1(OC)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)n1c(=O)n(C)c(=O)n12 ZINC000045071245 530183267 /nfs/dbraw/zinc/18/32/67/530183267.db2.gz ACGXSQJLMRJFPD-DTORHVGOSA-N 0 0 377.011 0.837 40 0 GCABRN Cn1c(Br)nc2c1c(=O)n(C[C@H](O)c1ccccc1)c(=O)n2C ZINC000004945665 530313647 /nfs/dbraw/zinc/31/36/47/530313647.db2.gz CCSABJWKUBKTGH-JTQLQIEISA-N 0 0 379.214 0.930 40 0 GCABRN CN(CC(=O)NCCSc1nc[nH]n1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000226020298 222704870 /nfs/dbraw/zinc/70/48/70/222704870.db2.gz RHYZZCZHEKWKAO-UHFFFAOYSA-N 0 0 389.890 0.987 40 0 GCABRN CCOC(=O)N1CCN(S(=O)(=O)c2nnc(NC(=O)C(C)C)s2)CC1 ZINC000223597373 530504408 /nfs/dbraw/zinc/50/44/08/530504408.db2.gz ZZDZNJYMATZGPN-UHFFFAOYSA-N 0 0 391.475 0.595 40 0 GCABRN CS(=O)(=O)N[C@H](CC(=O)NCCSc1nc[nH]n1)c1ccc(F)cc1 ZINC000225943260 530507983 /nfs/dbraw/zinc/50/79/83/530507983.db2.gz LGWAZTYBWDGTMF-GFCCVEGCSA-N 0 0 387.462 0.833 40 0 GCABRN CCCS(=O)(=O)N1CC2(C1)[C@H](COCc1ccccn1)CCS2(=O)=O ZINC000306125114 530501414 /nfs/dbraw/zinc/50/14/14/530501414.db2.gz CHRBLSGZSOQNIB-AWEZNQCLSA-N 0 0 388.511 0.827 40 0 GCABRN CCCS(=O)(=O)N1CC2(C1)[C@H](COc1nccc(C)n1)CCS2(=O)=O ZINC000306134848 530501640 /nfs/dbraw/zinc/50/16/40/530501640.db2.gz NZQNJFCNCGRYFI-ZDUSSCGKSA-N 0 0 389.499 0.393 40 0 GCABRN CN(c1ccc(Cl)c(C(=O)NCCN2CCOCC2)c1)S(C)(=O)=O ZINC000222499095 530502367 /nfs/dbraw/zinc/50/23/67/530502367.db2.gz ZGDSSWOXZMHNMD-UHFFFAOYSA-N 0 0 375.878 0.798 40 0 GCABRN CCN[C@@H]1CN(CCCOC)S(=O)(=O)c2sc(S(N)(=O)=O)cc21 ZINC000001530900 530558024 /nfs/dbraw/zinc/55/80/24/530558024.db2.gz HCRKCZRJWPKOAR-SNVBAGLBSA-N 0 0 383.517 0.087 40 0 in-man GCABRN CN([C@@H]1CS(=O)(=O)C[C@@H]1O)S(=O)(=O)c1ccc(Br)cc1 ZINC000575421076 530687613 /nfs/dbraw/zinc/68/76/13/530687613.db2.gz HNFZVNVHSITITM-MNOVXSKESA-N 0 0 384.273 0.228 40 0 GCABRN Cc1cc(C)c(S(=O)(=O)N(C[C@H](O)CO)[C@@H]2CCS(=O)(=O)C2)cc1C ZINC000575420986 530687761 /nfs/dbraw/zinc/68/77/61/530687761.db2.gz GBZOHQMHDVLKEH-CABCVRRESA-N 0 0 391.511 0.143 40 0 GCABRN O=S1(=O)CC[C@H](NN(Cc2cccc(F)c2)[C@H]2CCS(=O)(=O)C2)C1 ZINC000575422371 530688374 /nfs/dbraw/zinc/68/83/74/530688374.db2.gz VDTIWKZFARMBKO-GJZGRUSLSA-N 0 0 376.475 0.507 40 0 GCABRN O=S(=O)(c1ccccc1)N([C@H]1CCS(=O)(=O)C1)[C@H]1CCS(=O)(=O)C1 ZINC000575420335 530688668 /nfs/dbraw/zinc/68/86/68/530688668.db2.gz AWFXEFMKLMOGLW-STQMWFEESA-N 0 0 393.508 0.052 40 0 GCABRN Cn1ccs/c1=N\C(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1F ZINC000102386741 530848267 /nfs/dbraw/zinc/84/82/67/530848267.db2.gz IVZXXHZGGPFKBJ-ICFOKQHNSA-N 0 0 385.442 0.988 40 0 GCABRN COc1ccc(S(=O)(=O)N(C)[C@H]2CCS(=O)(=O)C2)cc1NC(C)=O ZINC000019680293 530913032 /nfs/dbraw/zinc/91/30/32/530913032.db2.gz JOVOVFGCUXFREW-NSHDSACASA-N 0 0 376.456 0.461 40 0 GCABRN CCNc1nc(C(=O)N2CCN(CC(=O)Nc3nncs3)CC2)cs1 ZINC000426394282 531078356 /nfs/dbraw/zinc/07/83/56/531078356.db2.gz DQRDMJFMRAPDJA-UHFFFAOYSA-N 0 0 381.487 0.823 40 0 GCABRN Cc1cc(C)n(CC(=O)N2C[C@H](O)C[C@@H](NC(=O)OC(C)(C)C)[C@H](O)C2)n1 ZINC000257213449 222755244 /nfs/dbraw/zinc/75/52/44/222755244.db2.gz CHQWJJARXILHMP-RBSFLKMASA-N 0 0 382.461 0.347 40 0 GCABRN COCC(=O)NC[C@@]1(O)COCCN(C(=O)c2cc3c(cccc3OC)[nH]2)C1 ZINC000257235049 222760826 /nfs/dbraw/zinc/76/08/26/222760826.db2.gz GWFCMDHVUDJNFU-IBGZPJMESA-N 0 0 391.424 0.143 40 0 GCABRN Cc1noc(C)c1CC(=O)N1CC[C@H](c2ccc3c(=O)n(C)c(=O)n(C)c3n2)C1 ZINC000257278899 222768237 /nfs/dbraw/zinc/76/82/37/222768237.db2.gz OECQUQXOAIXFOD-ZDUSSCGKSA-N 0 0 397.435 0.796 40 0 GCABRN CNc1ncnc2c1ncn2[C@@H]1CC[C@@H](NC(=O)c2cccnc2C)[C@@H](O)[C@@H]1O ZINC000257302209 222772874 /nfs/dbraw/zinc/77/28/74/222772874.db2.gz SBYYSAYEGJGENW-RRCSTGOVSA-N 0 0 397.439 0.427 40 0 GCABRN COc1ccc(Cn2nc3n(c(=O)c2=O)C[C@]2(CCN(C(=O)C4CC4)C2)C3)cc1 ZINC000306129705 222796552 /nfs/dbraw/zinc/79/65/52/222796552.db2.gz IKLKMKNPQZVWII-OAQYLSRUSA-N 0 0 396.447 0.647 40 0 GCABRN O=C(CC[C@@H]1CNC(=O)[C@@H]2C[C@H](NC(=O)Nc3ccsc3)CN21)NC1CC1 ZINC000015708331 291102510 /nfs/dbraw/zinc/10/25/10/291102510.db2.gz KOUKOANPAIHASU-ZNMIVQPWSA-N 0 0 391.497 0.870 40 0 biogenic,in-vitro GCABRN CS(=O)(=O)N[C@H]1C[C@H]2C(=O)Nc3ccc(Br)cc3C(=O)N2C1 ZINC000008299663 291101850 /nfs/dbraw/zinc/10/18/50/291101850.db2.gz XDHAHJJVIWHRKI-KWQFWETISA-N 0 0 388.243 0.534 40 0 biogenic,in-vitro GCABRN COC(=O)[C@H]1CC(=O)N(c2ccccc2N2CCN(S(C)(=O)=O)CC2)C1 ZINC000057327857 212131241 /nfs/dbraw/zinc/13/12/41/212131241.db2.gz BDLDEGJVENZYOT-ZDUSSCGKSA-N 0 0 381.454 0.294 40 0 GCABRN Cc1nc2sccn2c(=O)c1S(=O)(=O)N1CCN(c2ccccn2)CC1 ZINC000034854506 206256732 /nfs/dbraw/zinc/25/67/32/206256732.db2.gz TZRSLBDFUCAAJD-UHFFFAOYSA-N 0 0 391.478 0.970 40 0 GCABRN Cc1cnc(C(=O)N2C[C@@H]3c4nn(CC5CCC5)c(=O)c(=O)n4C[C@@H]3C2)cn1 ZINC000306141218 209107155 /nfs/dbraw/zinc/10/71/55/209107155.db2.gz VOOCXMSYWUPVKR-KBPBESRZSA-N 0 0 382.424 0.173 40 0 GCABRN COc1cc2nc(N3CCN(C(=O)C[C@@H](C)O)CC3)nc(N)c2cc1OC ZINC000000607988 206307841 /nfs/dbraw/zinc/30/78/41/206307841.db2.gz IOSMPEJNAQZKJT-LLVKDONJSA-N 0 0 375.429 0.649 40 0 in-man GCABRN O=C(OC[C@@H]1O[C@@H](Oc2ccccc2CO)[C@@H](O)[C@@H](O)[C@H]1O)c1ccccc1 ZINC000005083202 206589942 /nfs/dbraw/zinc/58/99/42/206589942.db2.gz HHSKNLJWHGXWPK-ZYNAIFEFSA-N 0 0 390.388 0.222 40 0 GCABRN COCCN1CC[C@]2(CN(C(=O)c3ccn(C)n3)C[C@H]2c2cn(C)cn2)C1=O ZINC000306139670 209106801 /nfs/dbraw/zinc/10/68/01/209106801.db2.gz TXCRFROJBGWYEL-IFXJQAMLSA-N 0 0 386.456 0.258 40 0 GCABRN COc1ccc2c(cc(C)c3nn(CC(=O)N4CCC(C(N)=O)CC4)c(=O)n32)c1 ZINC000012181642 206865946 /nfs/dbraw/zinc/86/59/46/206865946.db2.gz HJNLTPICFKUEBX-UHFFFAOYSA-N 0 0 397.435 0.690 40 0 GCABRN C[C@H](NC(=O)C1CCN(S(C)(=O)=O)CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000014318920 207019311 /nfs/dbraw/zinc/01/93/11/207019311.db2.gz HZPBKUHEXDJREJ-LBPRGKRZSA-N 0 0 388.511 0.939 40 0 GCABRN Cc1cccc2c3c([nH]c21)CCN(C(=O)CCN1C(=O)N[C@H]2NC(=O)N[C@H]21)C3 ZINC000019236557 207109870 /nfs/dbraw/zinc/10/98/70/207109870.db2.gz FHEDBOLXJUSYKU-SJORKVTESA-N 0 0 382.424 0.741 40 0 GCABRN Cc1cc(N2CCc3c(=O)[nH]c(N4C[C@@H](C)O[C@H](C)C4)nc3C2)n2ncnc2n1 ZINC000019117409 207102393 /nfs/dbraw/zinc/10/23/93/207102393.db2.gz DLSBAQHRUUMDKN-CHWSQXEVSA-N 0 0 396.455 0.692 40 0 GCABRN COC[C@@H](C)NC(=O)CN1CC[C@@]2(CCC1=O)NC(=O)c1cc(C)ccc1O2 ZINC000019218781 207107186 /nfs/dbraw/zinc/10/71/86/207107186.db2.gz PJQWYJATTRAOSP-VLIAUNLRSA-N 0 0 389.452 0.977 40 0 GCABRN Cc1cccc([C@@H]2CN(S(=O)(=O)N3CCOCC3)C[C@]23CCCC(=O)N3)n1 ZINC000019236374 207109148 /nfs/dbraw/zinc/10/91/48/207109148.db2.gz OQTKAMDGTBJQNP-MAUKXSAKSA-N 0 0 394.497 0.405 40 0 GCABRN COc1cccc([C@H](NC(=O)c2cc(=O)n(C)c(=O)n2C)c2nccn2C)c1 ZINC000019291227 207112554 /nfs/dbraw/zinc/11/25/54/207112554.db2.gz FELHQOCHSBITOZ-INIZCTEOSA-N 0 0 383.408 0.346 40 0 GCABRN Cc1nc(C)n(CCC(=O)N2CCC3(CC2)NC(=O)c2cccnc2N3C)n1 ZINC000019285991 207112789 /nfs/dbraw/zinc/11/27/89/207112789.db2.gz RJMBOEXHTHQDSU-UHFFFAOYSA-N 0 0 383.456 0.879 40 0 GCABRN CCN1C[C@@H](C(=O)N2CCc3nc([C@H]4CCCN4C(C)=O)ncc3C2)CC1=O ZINC000019526959 207128279 /nfs/dbraw/zinc/12/82/79/207128279.db2.gz WPWJYZMTMINMKN-WMLDXEAASA-N 0 0 385.468 0.913 40 0 GCABRN CCN1C[C@H](C(=O)N2CCc3nc([C@@H]4CCN(C(C)=O)C4)ncc3C2)CC1=O ZINC000019526966 207128950 /nfs/dbraw/zinc/12/89/50/207128950.db2.gz YFMJFFRMSZRANS-HUUCEWRRSA-N 0 0 385.468 0.566 40 0 GCABRN CN1c2ccccc2[C@H](CC(=O)NCCn2nnn(-c3cccs3)c2=O)C1=O ZINC000019590997 207140727 /nfs/dbraw/zinc/14/07/27/207140727.db2.gz QPKVEQXZORJCBK-ZDUSSCGKSA-N 0 0 398.448 0.757 40 0 GCABRN CNc1nc([C@@H]2CCCCN2S(=O)(=O)N(C)C)nc2c1CCN(C(C)=O)C2 ZINC000019708461 207150651 /nfs/dbraw/zinc/15/06/51/207150651.db2.gz UXVWCLSLVBESAN-HNNXBMFYSA-N 0 0 396.517 0.756 40 0 GCABRN O=C(CN1CCNC(=O)C1)NC[C@@H](c1ccc(Cl)cc1)N1CCOCC1 ZINC000019718818 207155127 /nfs/dbraw/zinc/15/51/27/207155127.db2.gz KCIYRNILBCTNLC-INIZCTEOSA-N 0 0 380.876 0.261 40 0 GCABRN Cc1nnsc1C(=O)N1CCO[C@@H](C(=O)N(C)CCc2ccccn2)C1 ZINC000019745284 207157932 /nfs/dbraw/zinc/15/79/32/207157932.db2.gz PHGRCIJFBIHVSI-CQSZACIVSA-N 0 0 375.454 0.784 40 0 GCABRN COc1ccccc1CCNC(=O)[C@@H]1CN(C(=O)c2ccc(=O)n(C)c2)CCO1 ZINC000019747385 207158154 /nfs/dbraw/zinc/15/81/54/207158154.db2.gz SFJJMCQFTRYUDJ-SFHVURJKSA-N 0 0 399.447 0.594 40 0 GCABRN CN(C)S(=O)(=O)N(CC(=O)N1CCC(C(N)=O)CC1)c1ccccc1F ZINC000020492497 207199425 /nfs/dbraw/zinc/19/94/25/207199425.db2.gz MOVOYOINYRORDL-UHFFFAOYSA-N 0 0 386.449 0.162 40 0 GCABRN O=C(NCCN1CCOCC1)c1ccc(CS(=O)(=O)N2CCCC2)cc1 ZINC000030853709 207375521 /nfs/dbraw/zinc/37/55/21/207375521.db2.gz QYXXDYGVQKIBFS-UHFFFAOYSA-N 0 0 381.498 0.674 40 0 GCABRN COCC(=O)Nn1ccc2c(nnc3c(-c4ccccc4)c(COC)nn32)c1=O ZINC000040391313 207595538 /nfs/dbraw/zinc/59/55/38/207595538.db2.gz CFUGVCBPNPCDPE-UHFFFAOYSA-N 0 0 394.391 0.969 40 0 GCABRN CN(C)C(=O)[C@@]1(Cc2cccc(-c3ccncc3)c2)CN(C(=O)CO)CCO1 ZINC000072389079 208010875 /nfs/dbraw/zinc/01/08/75/208010875.db2.gz DUXPNVKLTKKRDA-OAQYLSRUSA-N 0 0 383.448 0.969 40 0 GCABRN CCS(=O)(=O)N1CCC2(CN(c3ncccn3)C[C@@]23CCN(C)C3=O)CC1 ZINC000096036384 208254386 /nfs/dbraw/zinc/25/43/86/208254386.db2.gz JFCGFGFYWATGLK-GOSISDBHSA-N 0 0 393.513 0.577 40 0 GCABRN CN(C)C(=O)[C@@]12CN(c3ncccn3)C[C@@H]1CN(S(=O)(=O)C1CC1)CCC2 ZINC000096056118 208257362 /nfs/dbraw/zinc/25/73/62/208257362.db2.gz LXCOGKNMRFRATC-KDOFPFPSSA-N 0 0 393.513 0.575 40 0 GCABRN Cn1cc(C(=O)NCc2cc(=O)n3c(n2)CN(Cc2ccoc2)CCC3)cn1 ZINC000096059654 208258468 /nfs/dbraw/zinc/25/84/68/208258468.db2.gz KMDVIZZHWVJCCU-UHFFFAOYSA-N 0 0 382.424 0.906 40 0 GCABRN COCC(=O)N1CCC[C@]2(C(=O)NCC3CC3)CN(c3ncccn3)C[C@@H]2C1 ZINC000096251383 208295074 /nfs/dbraw/zinc/29/50/74/208295074.db2.gz UQGLGEQMIMPFIU-JXFKEZNVSA-N 0 0 387.484 0.694 40 0 GCABRN CCS(=O)(=O)N1CCC2(CC1)[C@@H]1CN(c3ncccn3)C[C@@H]1C(=O)N2C ZINC000096262251 208297961 /nfs/dbraw/zinc/29/79/61/208297961.db2.gz SNQWWHNUIPGVSH-UONOGXRCSA-N 0 0 379.486 0.185 40 0 GCABRN O=C(c1ccncn1)N1CC[C@@H]2CN(Cc3cccnc3)S(=O)(=O)[C@@H]2CC1 ZINC000096263723 208299054 /nfs/dbraw/zinc/29/90/54/208299054.db2.gz ACXFVQBAXRDIEY-NVXWUHKLSA-N 0 0 387.465 0.938 40 0 GCABRN O=C([C@H]1CC[C@H](Cn2c(=O)[nH]c3ccccc3c2=O)CC1)N1CCNC(=O)C1 ZINC000101618119 208396713 /nfs/dbraw/zinc/39/67/13/208396713.db2.gz FBFBKBGLPBMSAZ-OKILXGFUSA-N 0 0 384.436 0.455 40 0 GCABRN Cn1ccc(C(=O)N2CC[C@]3(C2)CCn2ncnc2[C@H]3NC(=O)C2CCC2)n1 ZINC000306136985 209104916 /nfs/dbraw/zinc/10/49/16/209104916.db2.gz QIGGPULQUNOJSM-DNVCBOLYSA-N 0 0 383.456 0.905 40 0 GCABRN CCn1c(=O)c2c(nc(SCC(=O)NCc3ccccc3)n2C)n(C)c1=O ZINC000000887164 208485668 /nfs/dbraw/zinc/48/56/68/208485668.db2.gz TXSPTAOFEDJIKP-UHFFFAOYSA-N 0 0 387.465 0.862 40 0 GCABRN O=S(=O)(NCC[C@H]1CCOC12CN(c1ccc3nncn3n1)C2)C1CC1 ZINC000306135611 209104309 /nfs/dbraw/zinc/10/43/09/209104309.db2.gz OVXHOHFUMDTGRY-LBPRGKRZSA-N 0 0 378.458 0.192 40 0 GCABRN CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C)C(=O)N[C@H](C)C(N)=O ZINC000004355601 208545169 /nfs/dbraw/zinc/54/51/69/208545169.db2.gz ORPWHDPCKJWVIC-AGIUHOORSA-N 0 0 384.477 0.517 40 0 GCABRN CCNC(=O)[C@@H]1Cc2c(ncnc2-c2cnn(C)c2)CCN(C(=O)N(C)C)C1 ZINC000306135508 209103623 /nfs/dbraw/zinc/10/36/23/209103623.db2.gz OTKNEAWCVJLHEF-CYBMUJFWSA-N 0 0 385.472 0.712 40 0 GCABRN Cn1cnc(S(=O)(=O)N2Cc3ccnn3C[C@@H](Oc3ncccn3)C2)c1 ZINC000306134707 209102566 /nfs/dbraw/zinc/10/25/66/209102566.db2.gz NVSHMDPZSBPHHS-ZDUSSCGKSA-N 0 0 375.414 0.059 40 0 GCABRN COCCNC(=O)c1nnc2n1C[C@@H]1CN(C(=O)c3csc(C)n3)C[C@@H]1C2 ZINC000306128031 209100258 /nfs/dbraw/zinc/10/02/58/209100258.db2.gz GOFSCMJURITCKB-RYUDHWBXSA-N 0 0 390.469 0.364 40 0 GCABRN CCNC(=O)c1ccc(OC)c(S(=O)(=O)NCCSc2nc[nH]n2)c1 ZINC000223015724 208890095 /nfs/dbraw/zinc/89/00/95/208890095.db2.gz QBURUUHASFCJTE-UHFFFAOYSA-N 0 0 385.471 0.634 40 0 GCABRN CC(C)(C)CNC(=O)c1cn2c(nc1=O)[C@]1(CC2)CCN(S(C)(=O)=O)C1 ZINC000306125939 209098012 /nfs/dbraw/zinc/09/80/12/209098012.db2.gz DGNMAUMLDXUADH-QGZVFWFLSA-N 0 0 382.486 0.326 40 0 GCABRN Cc1ccnc(OC[C@H]2CCS(=O)(=O)C23CN(Cc2cnn(C)c2)C3)n1 ZINC000306129845 209099675 /nfs/dbraw/zinc/09/96/75/209099675.db2.gz IOSMROPONNOLCE-OAHLLOKOSA-N 0 0 377.470 0.587 40 0 GCABRN COc1ncccc1CN1CC[C@]2(C1)Cn1c(=O)c(=O)n(CC3CC3)nc1CO2 ZINC000306124462 209096754 /nfs/dbraw/zinc/09/67/54/209096754.db2.gz BQLCNVIOHAFSIW-FQEVSTJZSA-N 0 0 399.451 0.394 40 0 GCABRN CCS[C@H]1O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000004802843 220766887 /nfs/dbraw/zinc/76/68/87/220766887.db2.gz YPNFVZQPWZMHIF-CQJMVSDSSA-N 0 0 392.426 0.823 40 0 GCABRN OC[C@@H]1O[C@@H](n2cnc3c2nc(F)nc3SCc2ccccc2)[C@H](O)[C@@H]1O ZINC000004916581 220791436 /nfs/dbraw/zinc/79/14/36/220791436.db2.gz VCRUCRQMQNMLHN-MZXFEWSRSA-N 0 0 392.412 0.869 40 0 GCABRN CNC(=O)[C@H]1[C@H]2C(=O)N(C3CC3)[C@H](C(=O)NC3CCCCC3)[C@@]23C=C[C@]1(C)O3 ZINC000005000472 220808453 /nfs/dbraw/zinc/80/84/53/220808453.db2.gz XDZKHRZZZUCGTG-IWOXYASMSA-N 0 0 387.480 0.884 40 0 GCABRN OC[C@@H](O)[C@@H](O)[C@@H](O)[C@H](O)C(OCc1ccccc1)OCc1ccccc1 ZINC000005699607 220892933 /nfs/dbraw/zinc/89/29/33/220892933.db2.gz YMTLBGVCGZMOLY-MKXGPGLRSA-N 0 0 378.421 0.182 40 0 GCABRN CS(=O)(=O)NC[C@@H]1CO[C@@H]2CN(C(=O)c3cnc4ccccc4c3)C[C@H]12 ZINC000247519728 209027037 /nfs/dbraw/zinc/02/70/37/209027037.db2.gz LCHSQXCYKKXDNJ-BFYDXBDKSA-N 0 0 375.450 0.871 40 0 GCABRN COc1cccc(CC(=O)N2Cc3cncn3[C@H](CNS(C)(=O)=O)C2)c1 ZINC000247535077 209027397 /nfs/dbraw/zinc/02/73/97/209027397.db2.gz QFKUVSPJDZVBQY-OAHLLOKOSA-N 0 0 378.454 0.567 40 0 GCABRN Cn1ccc(C(=O)N2CC3(C2)[C@H](COc2ccccn2)CCS3(=O)=O)n1 ZINC000248115484 209030156 /nfs/dbraw/zinc/03/01/56/209030156.db2.gz ILSQIRUPVAFKOO-ZDUSSCGKSA-N 0 0 376.438 0.523 40 0 GCABRN Cc1cc(C(=O)N2CC3(C2)[C@@H](COc2ncccn2)CCS3(=O)=O)on1 ZINC000253600056 209043212 /nfs/dbraw/zinc/04/32/12/209043212.db2.gz DGSPFBLOXVMDCS-GFCCVEGCSA-N 0 0 378.410 0.481 40 0 GCABRN Cc1n[nH]c(C)c1CC(=O)N1CCOC[C@@](O)(CNC(=O)c2cscn2)C1 ZINC000257204133 209056308 /nfs/dbraw/zinc/05/63/08/209056308.db2.gz ATDOTDCCXJGBHZ-QGZVFWFLSA-N 0 0 393.469 0.045 40 0 GCABRN O=C(N[C@@H]1C[C@@H](Oc2ccccc2)[C@H](O)[C@H]1N1CCOCC1)C1CCOCC1 ZINC000257219406 209058506 /nfs/dbraw/zinc/05/85/06/209058506.db2.gz DGRALNZNNAXXEV-ZRNYENFQSA-N 0 0 390.480 0.811 40 0 GCABRN NC(=O)[C@@]1(c2ccccn2)CCCN(CC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)C1 ZINC000257243862 209060703 /nfs/dbraw/zinc/06/07/03/209060703.db2.gz IIXHMFOESVETDQ-FQEVSTJZSA-N 0 0 394.435 0.709 40 0 GCABRN Cn1cnc2cc(C(=O)N3C[C@@H](O)[C@H](n4cnc5c4ncnc5N)C3)ccc21 ZINC000257265728 209064401 /nfs/dbraw/zinc/06/44/01/209064401.db2.gz MAAWJZPDVWRLFU-ZIAGYGMSSA-N 0 0 378.396 0.353 40 0 GCABRN CNc1ncnc2c1ncn2[C@@H]1CC[C@@H](NC(=O)c2ccc(C)cn2)[C@@H](O)[C@@H]1O ZINC000257269434 209064520 /nfs/dbraw/zinc/06/45/20/209064520.db2.gz MPXOAUKQYOXCIY-UIBBOPPKSA-N 0 0 397.439 0.427 40 0 GCABRN Cc1cn([C@H]2CN(C(=O)c3cccc(Cn4ccnc4)c3)C[C@@H]2O)c(=O)[nH]c1=O ZINC000257266444 209063645 /nfs/dbraw/zinc/06/36/45/209063645.db2.gz MDAQMVSCGGAIMB-IRXDYDNUSA-N 0 0 395.419 0.560 40 0 GCABRN CC(C)NC(=O)NC[C@H]1O[C@@H](CC(=O)N2CCc3ccccc32)[C@H](O)[C@@H]1O ZINC000008624334 221046798 /nfs/dbraw/zinc/04/67/98/221046798.db2.gz HLHXTNKEYZALHV-CIRFHOKZSA-N 0 0 377.441 0.163 40 0 biogenic,in-vitro GCABRN O=c1[nH]c2ccc(S(=O)(=O)N3CCC[C@@H](CN4CCCC4=O)C3)cc2[nH]1 ZINC000012239356 221172317 /nfs/dbraw/zinc/17/23/17/221172317.db2.gz UNQZMYIRHRAXNY-LBPRGKRZSA-N 0 0 378.454 0.879 40 0 GCABRN Cn1c2ccc(S(=O)(=O)NC[C@@H]3C[C@H]4CC[C@@H]3C4)cc2c(=O)n(C)c1=O ZINC000012241682 221172380 /nfs/dbraw/zinc/17/23/80/221172380.db2.gz JUQDYHAWPQOVFF-XQQFMLRXSA-N 0 0 377.466 0.952 40 0 GCABRN COCCCn1nnnc1SCC(=O)N1CCN(C(=O)c2ccco2)CC1 ZINC000013150763 221263328 /nfs/dbraw/zinc/26/33/28/221263328.db2.gz DBEQQHYTDYTOKO-UHFFFAOYSA-N 0 0 394.457 0.379 40 0 GCABRN O=C(COc1ccc(S(=O)(=O)N2CCCC2)cc1)NCCN1CCOCC1 ZINC000016428886 221361542 /nfs/dbraw/zinc/36/15/42/221361542.db2.gz YKFOGVQQMFJDMZ-UHFFFAOYSA-N 0 0 397.497 0.298 40 0 GCABRN CC(C)C(=O)N1CCC(c2nc3c(c(=O)[nH]2)CN(S(C)(=O)=O)CC3)CC1 ZINC000019085366 221396485 /nfs/dbraw/zinc/39/64/85/221396485.db2.gz NGFJOJPPFTUHNI-UHFFFAOYSA-N 0 0 382.486 0.862 40 0 GCABRN CS(=O)(=O)c1cnc2ncnn2c1C1CCN(C(=O)c2ccno2)CC1 ZINC000019573797 221429370 /nfs/dbraw/zinc/42/93/70/221429370.db2.gz QRQCZNCRJGHMDH-UHFFFAOYSA-N 0 0 376.398 0.536 40 0 GCABRN CS(=O)(=O)c1cnc2ncnn2c1[C@@H]1CCCN(C(=O)c2ccno2)C1 ZINC000019573782 221430166 /nfs/dbraw/zinc/43/01/66/221430166.db2.gz PBUDTQOAQXAWMN-SNVBAGLBSA-N 0 0 376.398 0.536 40 0 GCABRN CCN1C[C@@H](C(=O)N2CCc3nc(C4CCN(C(C)=O)CC4)ncc3C2)CC1=O ZINC000019526969 221421426 /nfs/dbraw/zinc/42/14/26/221421426.db2.gz CCLTVQUARJXCRO-INIZCTEOSA-N 0 0 399.495 0.956 40 0 GCABRN CCN(c1ccc(OCC(=O)N2CCC(C(N)=O)CC2)cc1)S(C)(=O)=O ZINC000019937786 221465381 /nfs/dbraw/zinc/46/53/81/221465381.db2.gz LMMKQMYKYMUIII-UHFFFAOYSA-N 0 0 383.470 0.575 40 0 GCABRN COc1ccc(C)cc1S(=O)(=O)N[C@H](C)C(=O)NCCCN1CCOCC1 ZINC000408598082 533406138 /nfs/dbraw/zinc/40/61/38/533406138.db2.gz ZMDDGZHTOGXIRC-OAHLLOKOSA-N 0 0 399.513 0.509 40 0 GCABRN CN(C)S(=O)(=O)N1CCC[C@H](C(=O)N2CCN(c3ccccc3F)CC2)C1 ZINC000044848535 132419936 /nfs/dbraw/zinc/41/99/36/132419936.db2.gz WSHVEIVSVUWULJ-HNNXBMFYSA-N 0 0 398.504 0.993 40 0 GCABRN CCN1CCN(c2ccc(C)nc2)C(=O)C12CCN(C(=O)CNC(C)=O)CC2 ZINC000096230366 136185282 /nfs/dbraw/zinc/18/52/82/136185282.db2.gz XSIUSGWZLMBHEG-UHFFFAOYSA-N 0 0 387.484 0.556 40 0 GCABRN CCCCS(=O)(=O)N1C[C@H]2N(c3ncccn3)CCC[C@@]2(C(=O)N(C)C)C1 ZINC000096251176 136185733 /nfs/dbraw/zinc/18/57/33/136185733.db2.gz JPEMFGFGFXFUQA-CRAIPNDOSA-N 0 0 395.529 0.966 40 0 GCABRN CN(C)c1nccc(N2CCO[C@H]3CN(S(=O)(=O)c4ccccc4)C[C@H]32)n1 ZINC000096248877 136185663 /nfs/dbraw/zinc/18/56/63/136185663.db2.gz LQKZETSZLZGMSI-CVEARBPZSA-N 0 0 389.481 0.821 40 0 GCABRN CCCCS(=O)(=O)N1CC[C@]2(C1)COCc1cnc(N3CCOCC3)nc12 ZINC000096244209 136185777 /nfs/dbraw/zinc/18/57/77/136185777.db2.gz CVBLFOMVKIPPFE-SFHVURJKSA-N 0 0 396.513 0.917 40 0 GCABRN COc1ccc(S(=O)(=O)NCc2nccc(N3CCOCC3)n2)cc1OC ZINC000224173569 136206407 /nfs/dbraw/zinc/20/64/07/136206407.db2.gz GQWYIVOLABWTQC-UHFFFAOYSA-N 0 0 394.453 0.809 40 0 GCABRN Cc1nc(C(=O)NCc2nccc(N3CCOCC3)n2)cc(-n2cccn2)n1 ZINC000224175251 136206451 /nfs/dbraw/zinc/20/64/51/136206451.db2.gz NHYRMMGYAMWSHN-UHFFFAOYSA-N 0 0 380.412 0.527 40 0 GCABRN COCCNC(=O)[C@@H](OC(=O)CN1C(=O)COc2ccccc21)c1cccnc1 ZINC000035315691 221817775 /nfs/dbraw/zinc/81/77/75/221817775.db2.gz KBHWPFAMWVSGEA-IBGZPJMESA-N 0 0 399.403 0.854 40 0 GCABRN CO[C@@H]1O[C@H]2COc3ccccc3O[C@@H]2[C@@H](NC(N)=N[N+](=O)[O-])[C@H]1OS ZINC000050446514 222001786 /nfs/dbraw/zinc/00/17/86/222001786.db2.gz CSBCQUWSSICCAO-OBPIAQAESA-N 0 0 386.386 0.102 40 0 GCABRN CC(=O)N1CCN(c2nc3c(c(=O)[nH]c(=O)n3C)n2Cc2ccccc2C)CC1 ZINC000072260122 222218350 /nfs/dbraw/zinc/21/83/50/222218350.db2.gz YKXARDZZHBMKEJ-UHFFFAOYSA-N 0 0 396.451 0.449 40 0 GCABRN O=C(CN1CCCC1=O)N1CCC[C@@H]([C@@H]2Nc3ccccc3S(=O)(=O)N2)C1 ZINC000072342566 222231232 /nfs/dbraw/zinc/23/12/32/222231232.db2.gz AQZAXVNKFZXTFE-FZKQIMNGSA-N 0 0 392.481 0.578 40 0 GCABRN Nc1nc2c(cc1C(=O)N1CCOCC1)CN(C(=O)C[C@@H]1CCCCO1)CC2 ZINC000072345689 222233233 /nfs/dbraw/zinc/23/32/33/222233233.db2.gz LZLVFBAGEMLVOS-HNNXBMFYSA-N 0 0 388.468 0.980 40 0 GCABRN C[C@]1(O)[C@H](N2CCN(Cc3ccccc3)CC2)O[C@@](C)(CO)[C@@](C)(O)[C@]1(C)O ZINC000078547112 222297392 /nfs/dbraw/zinc/29/73/92/222297392.db2.gz XOSLXWLHQVUTQP-XDWAVFMPSA-N 0 0 394.512 0.165 40 0 GCABRN CCN1CC[C@]2(CN(C(=O)N(C)C)CC23CCN(C(=O)N(C)C)CC3)C1=O ZINC000096036616 222372360 /nfs/dbraw/zinc/37/23/60/222372360.db2.gz NJGGUSVHZDPXPZ-IBGZPJMESA-N 0 0 379.505 0.986 40 0 GCABRN CC(=O)N1CC(=O)N(c2cnn(C)c2)C[C@]12CCN(C(=O)c1cscn1)C2 ZINC000096050434 222375415 /nfs/dbraw/zinc/37/54/15/222375415.db2.gz CDZWHOFQEGGGDA-QGZVFWFLSA-N 0 0 388.453 0.357 40 0 GCABRN CC(=O)N1CC(=O)N(c2cnn(C)c2)C[C@@]12CCN(C(=O)c1cccs1)C2 ZINC000096050453 222375563 /nfs/dbraw/zinc/37/55/63/222375563.db2.gz YFWBYYPDBPKNQW-SFHVURJKSA-N 0 0 387.465 0.962 40 0 GCABRN COCCNC(=O)[C@@H]1CCC[C@@H](NC(=O)c2cc(C)on2)CN(C)C(=O)C1 ZINC000096113281 222380986 /nfs/dbraw/zinc/38/09/86/222380986.db2.gz WDDCMHNJTNBDMV-ZIAGYGMSSA-N 0 0 380.445 0.493 40 0 biogenic,in-vitro GCABRN COCCN1[C@@]2(CCN(S(=O)(=O)C3CC3)C2)c2ccccc2S1(=O)=O ZINC000096143046 222388435 /nfs/dbraw/zinc/38/84/35/222388435.db2.gz DPWRGBVKKXASKA-MRXNPFEDSA-N 0 0 386.495 0.731 40 0 GCABRN COC(=O)CCC(=O)N1CCc2nc(C(=O)N3CCOCC3)sc2CC1 ZINC000096147014 222390389 /nfs/dbraw/zinc/39/03/89/222390389.db2.gz AFUQEXIZUMSHNX-UHFFFAOYSA-N 0 0 381.454 0.496 40 0 GCABRN Cc1cnc(CNC(=O)C2=NO[C@]3(CCN(C(=O)c4cscn4)C3)C2)cn1 ZINC000096225944 222399494 /nfs/dbraw/zinc/39/94/94/222399494.db2.gz AYDQWHKGICEBEW-QGZVFWFLSA-N 0 0 386.437 0.919 40 0 GCABRN COc1ccc(S(=O)(=O)N2CCN3C(=O)N(C4CCOCC4)C[C@H]3C2)cc1 ZINC000096269092 222405627 /nfs/dbraw/zinc/40/56/27/222405627.db2.gz MGFGWJPYAZZIGU-OAHLLOKOSA-N 0 0 395.481 0.985 40 0 biogenic,in-vitro GCABRN C[C@@H](Oc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1)C(=O)N1CCOCC1 ZINC000408613146 533939155 /nfs/dbraw/zinc/93/91/55/533939155.db2.gz ZZAXGCDOIVPYEP-OAHLLOKOSA-N 0 0 397.497 0.249 40 0 GCABRN C[C@@H](Oc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1)C(=O)N1CCOCC1 ZINC000408605750 533939897 /nfs/dbraw/zinc/93/98/97/533939897.db2.gz NKHCJVZTHNMMJZ-GDBMZVCRSA-N 0 0 398.481 0.770 40 0 GCABRN CC(C)(C)NS(=O)(=O)c1ccc(OCC(=O)NCCN2CCOCC2)cc1 ZINC000408590509 526333541 /nfs/dbraw/zinc/33/35/41/526333541.db2.gz HQFZJFWQNQSQJP-UHFFFAOYSA-N 0 0 399.513 0.591 40 0 GCABRN CC(=O)N[C@@H]1[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H](CO)O[C@@H]1OCc1ccccc1 ZINC000004303678 526864756 /nfs/dbraw/zinc/86/47/56/526864756.db2.gz RHHNTCYTVQANIZ-VHPHOLNESA-N 0 0 395.408 0.289 40 0 GCABRN CCOc1ccc(S(=O)(=O)N[C@H](C)C(=O)NCCN2CCOCC2)cc1 ZINC000408601384 528585366 /nfs/dbraw/zinc/58/53/66/528585366.db2.gz GFUHPWWKJFQMOV-CQSZACIVSA-N 0 0 385.486 0.201 40 0 GCABRN O=C(c1cccnc1)N1C[C@@H]2C[C@@H](O)CN2C2(CN(Cc3cccnc3)C2)C1 ZINC000514288800 560034000 /nfs/dbraw/zinc/03/40/00/560034000.db2.gz FBQFSHTXDPVFTN-RBUKOAKNSA-N 0 0 379.464 0.622 40 0 biogenic,in-vitro GCABRN CC(=O)N1CCCN(C[C@@H]2OC[C@H](NC(=O)Nc3cccs3)[C@H]2O)CC1 ZINC000514288540 560034501 /nfs/dbraw/zinc/03/45/01/560034501.db2.gz HUXZKCGQEYERKO-OFQRWUPVSA-N 0 0 382.486 0.552 40 0 biogenic,in-vitro GCABRN O=C(c1cccnc1)N1CC2(C1)CN(Cc1cccnc1)C[C@@H]1C[C@@H](O)CN12 ZINC000514288458 560035084 /nfs/dbraw/zinc/03/50/84/560035084.db2.gz AIHNUGGQLGXWJE-RBUKOAKNSA-N 0 0 379.464 0.622 40 0 biogenic,in-vitro GCABRN CC(C)=CCC/C(C)=C/COC[C@@H]1O[C@H](n2ccc(=O)[nH]c2=O)[C@@H](O)[C@@H]1O ZINC000230077252 560036114 /nfs/dbraw/zinc/03/61/14/560036114.db2.gz AXWLJQKHNCEKHK-JIUKPOSXSA-N 0 0 380.441 0.865 40 0 biogenic,in-vitro GCABRN CS(=O)(=O)c1ccc(OC[C@H]2C[C@@H](NC(=O)C3CCCC3)[C@H](O)[C@@H]2O)cc1 ZINC000225506569 560042355 /nfs/dbraw/zinc/04/23/55/560042355.db2.gz XMHJDLKYUUSYMF-PILAGYSTSA-N 0 0 397.493 0.886 40 0 biogenic,in-vitro GCABRN O=S(=O)(N[C@@H]1C[C@H](Cn2cc(C3CC3)nn2)[C@@H](O)[C@H]1O)c1ccccc1 ZINC000225499888 560042519 /nfs/dbraw/zinc/04/25/19/560042519.db2.gz PXLVDTOTRGXSDX-WNOSKKOXSA-N 0 0 378.454 0.244 40 0 biogenic,in-vitro GCABRN CCCCN1C(=O)[C@@H]2C[C@@H](O)CN2C2(CN(Cc3ccc(OC)cc3)C2)C1=O ZINC000225380092 560044147 /nfs/dbraw/zinc/04/41/47/560044147.db2.gz WDDALOGIJRPOCZ-AEFFLSMTSA-N 0 0 387.480 0.854 40 0 biogenic,in-vitro GCABRN O=C1[C@@H]2C[C@@H](O)CN2C2(CN(Cc3cccnc3)C2)C(=O)N1Cc1cccnc1 ZINC000225382647 560044153 /nfs/dbraw/zinc/04/41/53/560044153.db2.gz FMKMOQDLKGLPQW-MSOLQXFVSA-N 0 0 393.447 0.035 40 0 biogenic,in-vitro GCABRN O=C(NC[C@H]1OC[C@@H](N(Cc2c[nH]cn2)Cc2c[nH]cn2)[C@@H]1O)c1ccccc1 ZINC000077263674 560046425 /nfs/dbraw/zinc/04/64/25/560046425.db2.gz LNAADUNQEUGZDT-QRVBRYPASA-N 0 0 396.451 0.693 40 0 biogenic,in-vitro GCABRN O=C(OC[C@H]1O[C@@H](Oc2ccccc2CO)[C@H](O)[C@@H](O)[C@@H]1O)c1ccccc1 ZINC000004098879 560196224 /nfs/dbraw/zinc/19/62/24/560196224.db2.gz HHSKNLJWHGXWPK-BFMVXSJESA-N 0 0 390.388 0.222 40 0 biogenic,in-vitro GCABRN COC(=O)c1cn([C@H]2CO[C@H]3[C@@H]2OC[C@@H]3NC(=O)NCc2ccccc2)nn1 ZINC000004260942 560198066 /nfs/dbraw/zinc/19/80/66/560198066.db2.gz YMFWHSGUXJBQRH-CAOSSQGBSA-N 0 0 387.396 0.271 40 0 biogenic,in-vitro GCABRN CN(C)CC(=O)Nc1ccc2n(c1=O)C[C@H]1C[C@@H]2CN(C(=O)c2cnccn2)C1 ZINC000004277713 560198122 /nfs/dbraw/zinc/19/81/22/560198122.db2.gz DOMPUDGZGAJQRK-UONOGXRCSA-N 0 0 396.451 0.398 40 0 biogenic,in-vitro GCABRN CNc1ncc(C(=O)N2CCO[C@H](C(=O)NCCc3ccccc3OC)C2)cn1 ZINC000019747167 570213965 /nfs/dbraw/zinc/21/39/65/570213965.db2.gz DIIDFSUHCDIMPQ-KRWDZBQOSA-N 0 0 399.451 0.727 40 0 GCABRN O=C(CC[C@H]1CCC(=O)N1)N1CC(C(=O)N2CCN(c3ccccc3)CC2)C1 ZINC000019748690 570214650 /nfs/dbraw/zinc/21/46/50/570214650.db2.gz SZPJRNZMPITMFL-QGZVFWFLSA-N 0 0 384.480 0.852 40 0 GCABRN O=C(NCCN1CCOCC1)C1=NO[C@@]2(CCN(Cc3nccs3)C2)C1 ZINC000096225688 570220405 /nfs/dbraw/zinc/22/04/05/570220405.db2.gz IMDGXVHKOFBLBX-KRWDZBQOSA-N 0 0 379.486 0.312 40 0 GCABRN CCNC(=O)[C@@H]1CC(=O)Nc2nc(N3CCC[C@@H](C(=O)OCC)C3)[nH]c(=O)c21 ZINC000019821466 570222655 /nfs/dbraw/zinc/22/26/55/570222655.db2.gz FDEXWYYJXFRXPA-GHMZBOCLSA-N 0 0 391.428 0.111 40 0 GCABRN CCNC(=O)[C@@H]1CC(=O)Nc2nc(N3CCC(C(=O)OCC)CC3)[nH]c(=O)c21 ZINC000019821417 570222973 /nfs/dbraw/zinc/22/29/73/570222973.db2.gz SNEMOLSEIKUAJX-LLVKDONJSA-N 0 0 391.428 0.111 40 0 GCABRN Cn1cc(CN2C[C@@H]3c4nc(NCC5CC5)ncc4CS(=O)(=O)[C@@H]3C2)cn1 ZINC000096251924 570224466 /nfs/dbraw/zinc/22/44/66/570224466.db2.gz MYVISQZKIKUEAP-JKSUJKDBSA-N 0 0 388.497 0.928 40 0 GCABRN Cn1cnc(C(=O)N2CCO[C@@](COc3ccc(F)cc3)(CC(N)=O)C2)c1 ZINC000585282896 570250859 /nfs/dbraw/zinc/25/08/59/570250859.db2.gz IXOZYFVCYVDHBH-SFHVURJKSA-N 0 0 376.388 0.725 40 0 GCABRN [NH3+][C@H](CCC(=O)N1CCC[C@]2(C[C@@H](O)[C@H](c3ccccc3)NC2=O)C1)C(=O)[O-] ZINC000585285867 570255282 /nfs/dbraw/zinc/25/52/82/570255282.db2.gz SSVHWMCOYCFWJG-UOSKARGWSA-N 0 0 389.452 0.409 40 0 GCABRN CC(=O)N1CCN(C[C@@]2(O)CCN(C(=O)c3ccc(Cl)cc3)C[C@@H]2O)CC1 ZINC000585288880 570256949 /nfs/dbraw/zinc/25/69/49/570256949.db2.gz AHALERRPWSQYJW-HKUYNNGSSA-N 0 0 395.887 0.442 40 0 GCABRN CC(=O)OCC1(CC(=O)N2CCOCC2)CCN(C(=O)c2ncc[nH]2)CC1 ZINC000585293909 570263198 /nfs/dbraw/zinc/26/31/98/570263198.db2.gz ATQKTSFIENJQTN-UHFFFAOYSA-N 0 0 378.429 0.444 40 0 GCABRN CC(=O)N1C[C@@H]([NH2+][C@@H](Cc2c[nH]cn2)C(=O)[O-])C(c2ccc(N(C)C)cc2)=N1 ZINC000005631792 570272203 /nfs/dbraw/zinc/27/22/03/570272203.db2.gz JWWXOYVUAOFRDC-DLBZAZTESA-N 0 0 384.440 0.696 40 0 GCABRN CC(=O)OC[C@@H]1O[C@H](n2ccc(=O)[nH]c2=S)[C@@H](OC(C)=O)[C@H]1OC(C)=O ZINC000102987251 570293663 /nfs/dbraw/zinc/29/36/63/570293663.db2.gz YKDNCFTUUKOENT-PYJNHQTQSA-N 0 0 386.382 0.642 40 0 GCABRN COC(=O)[C@@H]1[C@H](c2ccco2)N[C@@H](c2ccco2)[C@@H](C(=O)OC)S1(=O)=O ZINC000575410845 570302471 /nfs/dbraw/zinc/30/24/71/570302471.db2.gz NEBMSDWSLGDASG-XUXIUFHCSA-N 0 0 383.378 0.756 40 0 GCABRN COCCN1C(=O)[C@@H]2[C@H](C1=O)[C@@H]([C@H](C)O)N[C@@]21C(=O)Nc2c1cccc2Cl ZINC000105352046 570304609 /nfs/dbraw/zinc/30/46/09/570304609.db2.gz BUONQAWZMCXZSY-JHXGQAOHSA-N 0 0 393.827 0.088 40 0 GCABRN CCS(=O)(=O)N(C)c1cc(OC)c(OC)cc1C(=O)N1CCN(C)CC1 ZINC000022252895 570310885 /nfs/dbraw/zinc/31/08/85/570310885.db2.gz IKGCUUXTNMXVNO-UHFFFAOYSA-N 0 0 385.486 0.877 40 0 GCABRN CCOc1cccc(N(CC(=O)NCCN2CCOCC2)S(C)(=O)=O)c1 ZINC000219143839 570348150 /nfs/dbraw/zinc/34/81/50/570348150.db2.gz HFNBCQUUOIJJAG-UHFFFAOYSA-N 0 0 385.486 0.300 40 0 GCABRN O=C(c1ccc(Cl)cc1)N1C[C@@H]2COCCN2C2(CN(C3COC3)C2)C1 ZINC000604380997 570352263 /nfs/dbraw/zinc/35/22/63/570352263.db2.gz ANFXDSKZTUCIAU-MRXNPFEDSA-N 0 0 377.872 0.950 40 0 biogenic,in-vitro GCABRN O=C(C[C@@H]1C[C@H]2O[C@H](CNC(=O)Nc3cccnc3)[C@@H](O)[C@H]2O1)NC1CC1 ZINC000604381895 570352772 /nfs/dbraw/zinc/35/27/72/570352772.db2.gz UDJBTIVZTMGHJE-SZVRAQGESA-N 0 0 376.413 0.158 40 0 biogenic,in-vitro GCABRN CCCNC(=O)C[C@@H]1C[C@H]2O[C@H](CNC(=O)Nc3cccnc3)[C@@H](O)[C@H]2O1 ZINC000604381885 570352804 /nfs/dbraw/zinc/35/28/04/570352804.db2.gz SXQMVBBDJGODJA-SZVRAQGESA-N 0 0 378.429 0.405 40 0 biogenic,in-vitro GCABRN C[C@H](Cc1ccccc1)Nc1ncnc2c1ncn2[C@H]1O[C@@H](CO)[C@@H](O)[C@H]1O ZINC000003874844 570353087 /nfs/dbraw/zinc/35/30/87/570353087.db2.gz RIRGCFBBHQEQQH-MFVMWPSOSA-N 0 0 385.424 0.481 40 0 GCABRN COc1cccc(C(=O)N2C[C@@H]3COCCN3C3(CN(Cc4c[nH]cn4)C3)C2)c1 ZINC000604382257 570353419 /nfs/dbraw/zinc/35/34/19/570353419.db2.gz LZPAUCFWMIRKFA-GOSISDBHSA-N 0 0 397.479 0.830 40 0 biogenic,in-vitro GCABRN O=C(NCCCN1CCOCC1)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1 ZINC000058141040 570376204 /nfs/dbraw/zinc/37/62/04/570376204.db2.gz PUTUBLGXWPTILY-KRWDZBQOSA-N 0 0 395.525 0.926 40 0 GCABRN CC[C@@H](C(=O)NCCN1CCOCC1)N(c1cccc(OC)c1)S(C)(=O)=O ZINC000220624406 570389543 /nfs/dbraw/zinc/38/95/43/570389543.db2.gz HPKIFGZKQKIMDI-KRWDZBQOSA-N 0 0 399.513 0.688 40 0 GCABRN CC[C@@H](C(=O)NCCN1CCOCC1)N(c1ccc(OC)cc1)S(C)(=O)=O ZINC000220650820 570390432 /nfs/dbraw/zinc/39/04/32/570390432.db2.gz RQSIMPQKGTYDJJ-KRWDZBQOSA-N 0 0 399.513 0.688 40 0 GCABRN Nc1nc2c(ncn2[C@H]2O[C@@H](CO)[C@@H](O)[C@@H]2O)c(SCc2ccccc2)n1 ZINC000004769188 570404637 /nfs/dbraw/zinc/40/46/37/570404637.db2.gz HEWUQFYYFBVBKP-GXCBOPRBSA-N 0 0 389.437 0.312 40 0 GCABRN CC(=O)OC[C@H]1O[C@@H](n2ccc(=S)[nH]c2=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000004877477 570414792 /nfs/dbraw/zinc/41/47/92/570414792.db2.gz VOSWRYRYGCAHQU-RUZUBIRVSA-N 0 0 386.382 0.230 40 0 GCABRN CC(=O)Nc1ncnc2c1ncn2[C@H]1C[C@@H](OC(C)=O)[C@H](COC(C)=O)O1 ZINC000004916573 570418144 /nfs/dbraw/zinc/41/81/44/570418144.db2.gz CBOSURABYCYSHO-FRRDWIJNSA-N 0 0 377.357 0.567 40 0 GCABRN CC(C)(C)OC(=O)NCC(=O)NCC(=O)NCC(=O)OCc1ccccc1 ZINC000005459071 570440502 /nfs/dbraw/zinc/44/05/02/570440502.db2.gz QNJAKSVUBBLHTF-UHFFFAOYSA-N 0 0 379.413 0.487 40 0 GCABRN NC(=O)C1CCN(C(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)CC1 ZINC000026536220 570468464 /nfs/dbraw/zinc/46/84/64/570468464.db2.gz BVSYRAZUZUUZCP-AWEZNQCLSA-N 0 0 397.472 0.950 40 0 GCABRN Cn1ncnc1[C@@H]1C2=c3c(cc(F)cc3=N[C@H]1c1ccc(F)cc1)C(=O)NN2 ZINC000138126802 570476594 /nfs/dbraw/zinc/47/65/94/570476594.db2.gz IUEWAGVJRJORLA-HOTGVXAUSA-N 0 0 380.358 0.608 40 0 in-vitro GCABRN COCCOc1cc(CN2CC[C@@](O)(CNC(C)=O)[C@H](O)C2)ccc1OC ZINC000257298415 570488711 /nfs/dbraw/zinc/48/87/11/570488711.db2.gz RLMUMUPGKXYIEB-RTBURBONSA-N 0 0 382.457 0.154 40 0 GCABRN CS(=O)(=O)N[C@@H]1CN(Cc2ccc(OCCn3cccn3)cc2)C[C@H]1O ZINC000257308022 570489388 /nfs/dbraw/zinc/48/93/88/570489388.db2.gz TVCSZXDGRQZUCI-IAGOWNOFSA-N 0 0 380.470 0.056 40 0 GCABRN CCCO[C@H]1O[C@@H](C(=O)OC)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000169641963 570491854 /nfs/dbraw/zinc/49/18/54/570491854.db2.gz VDBRYEIACQHBSB-FAHYXWLWSA-N 0 0 376.358 0.106 40 0 GCABRN CCCCOC(=S)N[C@@H]1OC[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O ZINC000263631162 570495828 /nfs/dbraw/zinc/49/58/28/570495828.db2.gz JAMUNSUIXBIERM-GBJTYRQASA-N 0 0 391.442 0.829 40 0 GCABRN COC(=O)CN(C(=O)Cc1ccc(OC)c(OC)c1)[C@H]1CCS(=O)(=O)C1 ZINC000032641284 570512858 /nfs/dbraw/zinc/51/28/58/570512858.db2.gz XSWPEWYBXIQZRE-ZDUSSCGKSA-N 0 0 385.438 0.435 40 0 GCABRN CN(C)C(=O)[C@@H]1COC2(CN(C(=O)Cc3ccc4c(c3)CCCO4)C2)CN1C ZINC000575406342 570522214 /nfs/dbraw/zinc/52/22/14/570522214.db2.gz WYRSYJPBQDFDJN-KRWDZBQOSA-N 0 0 387.480 0.554 40 0 GCABRN COc1ccc(S(=O)(=O)N2CCC(C(N)=O)CC2)cc1N1C(=O)CCC1=O ZINC000224933975 570538712 /nfs/dbraw/zinc/53/87/12/570538712.db2.gz BIPAPAMSDFCSBL-UHFFFAOYSA-N 0 0 395.437 0.235 40 0 GCABRN COc1ccc(NC(=O)CSc2nc3c(c(=O)n(C)c(=O)n3C)n2C)cc1 ZINC000000928628 570539261 /nfs/dbraw/zinc/53/92/61/570539261.db2.gz DSLYOROTAUIBKD-UHFFFAOYSA-N 0 0 389.437 0.710 40 0 GCABRN CCN1CCN(C(=O)c2ccc(OC)c(S(=O)(=O)N3CCOCC3)c2)CC1 ZINC000009063839 570547936 /nfs/dbraw/zinc/54/79/36/570547936.db2.gz AJKHWYWBNOLUIX-UHFFFAOYSA-N 0 0 397.497 0.494 40 0 GCABRN O=C(Cc1nnc(NC(=O)[C@H]2COc3ccccc3O2)s1)N1CCOCC1 ZINC000001351422 570572910 /nfs/dbraw/zinc/57/29/10/570572910.db2.gz PUSUKYPNGXIDPO-CYBMUJFWSA-N 0 0 390.421 0.718 40 0 GCABRN O=C(NC1CC1)[C@H]1CCCN(S(=O)(=O)c2ccc(-n3cnnn3)cc2)C1 ZINC000001363954 570577676 /nfs/dbraw/zinc/57/76/76/570577676.db2.gz SQXRRWYTLGTING-LBPRGKRZSA-N 0 0 376.442 0.342 40 0 GCABRN CCN(CC(=O)N1CCC(C(N)=O)CC1)S(=O)(=O)c1ccc(OC)cc1 ZINC000039985398 570595005 /nfs/dbraw/zinc/59/50/05/570595005.db2.gz AUEZYEUFUFQWKI-UHFFFAOYSA-N 0 0 383.470 0.430 40 0 GCABRN CS(=O)(=O)c1cnc2ncnn2c1[C@H]1CCCN(C(=O)c2cccnc2)C1 ZINC000012118909 570612442 /nfs/dbraw/zinc/61/24/42/570612442.db2.gz AKNTWPPUWYGGBV-ZDUSSCGKSA-N 0 0 386.437 0.943 40 0 GCABRN C[C@@H](C(=O)NCCn1nnn(-c2ccccc2)c1=O)n1nc2ccccc2n1 ZINC000012145995 570616755 /nfs/dbraw/zinc/61/67/55/570616755.db2.gz RGYKLBRYZAJCIV-ZDUSSCGKSA-N 0 0 378.396 0.551 40 0 GCABRN COc1ccc2c(cc(C)c3nn(CC(=O)N4CCNC(=O)C4(C)C)c(=O)n32)c1 ZINC000012181646 570619568 /nfs/dbraw/zinc/61/95/68/570619568.db2.gz GFCFKVAPFKPALP-UHFFFAOYSA-N 0 0 397.435 0.703 40 0 GCABRN Cn1c(SCC(=O)N2CCc3ccccc32)nc2c1c(=O)n(C)c(=O)n2C ZINC000004162141 570620560 /nfs/dbraw/zinc/62/05/60/570620560.db2.gz ZSQUEQVUZZWMCO-UHFFFAOYSA-N 0 0 385.449 0.652 40 0 GCABRN CN(C)S(=O)(=O)N(C)CC(=O)NCCSc1n[nH]c(-c2ccccc2)n1 ZINC000225960040 570636937 /nfs/dbraw/zinc/63/69/37/570636937.db2.gz HGHNWMGYLFPIGR-UHFFFAOYSA-N 0 0 398.514 0.418 40 0 GCABRN COCCNC(=O)CN(C[C@H]1CCCO1)C(=O)CCC(=O)Nc1cc(C)on1 ZINC000004861410 570640974 /nfs/dbraw/zinc/64/09/74/570640974.db2.gz WKZVUIHKMHHLAZ-CQSZACIVSA-N 0 0 396.444 0.472 40 0 GCABRN CN(C)S(=O)(=O)N1CCC[C@@H](C(=O)NC[C@H]2COc3ccccc3O2)C1 ZINC000260905633 570714071 /nfs/dbraw/zinc/71/40/71/570714071.db2.gz RFUYZJVCQGFMEU-KGLIPLIRSA-N 0 0 383.470 0.461 40 0 GCABRN CS(=O)(=O)NC[C@@H]1CO[C@@H]2CN(C(=O)CC3Cc4ccccc4C3)C[C@H]12 ZINC000247496687 570715737 /nfs/dbraw/zinc/71/57/37/570715737.db2.gz DFQJTVUVPHKTQW-KZNAEPCWSA-N 0 0 378.494 0.814 40 0 GCABRN Cc1ccccc1OCC(=O)N1Cc2ccnn2[C@@H](CNS(C)(=O)=O)C1 ZINC000248044307 570720378 /nfs/dbraw/zinc/72/03/78/570720378.db2.gz WEAGQVDVCKOPBG-HNNXBMFYSA-N 0 0 378.454 0.703 40 0 GCABRN CC1=NN(C)[C@H]2C(N3CCN(CC(=O)Nc4ccc(F)cc4)CC3)=NC=N[C@@H]12 ZINC000222252143 570741914 /nfs/dbraw/zinc/74/19/14/570741914.db2.gz LAKVTKCYGVWWTR-ZWKOTPCHSA-N 0 0 385.447 0.881 40 0 GCABRN O=C(NCCc1cc2nc(-c3ccncc3)ccn2n1)[C@H]1CCS(=O)(=O)C1 ZINC000013268267 570752131 /nfs/dbraw/zinc/75/21/31/570752131.db2.gz URTSDFJZMXWIJE-AWEZNQCLSA-N 0 0 385.449 0.885 40 0 GCABRN O=C(NCCN1CCNC1=O)c1ccc([C@@H]2NC(=O)N[C@H]3OCCC[C@@H]23)cc1 ZINC000257209423 570761100 /nfs/dbraw/zinc/76/11/00/570761100.db2.gz BQHPIGYOGLCVCI-ZOBUZTSGSA-N 0 0 387.440 0.548 40 0 GCABRN CC(=O)N1CCN([C@H]2CCN(C(=O)COc3ccccc3)CC[C@@H]2O)CC1 ZINC000257217826 570762033 /nfs/dbraw/zinc/76/20/33/570762033.db2.gz DATVROLAEJUHME-OALUTQOASA-N 0 0 375.469 0.581 40 0 GCABRN Cc1c(C(=O)N(C)[C@@H]2CC[C@@H](N3CCOCC3)[C@@H]2O)nnn1-c1ccccc1 ZINC000257226918 570764199 /nfs/dbraw/zinc/76/41/99/570764199.db2.gz FMSWWPDKOBVVQB-ZHALLVOQSA-N 0 0 385.468 0.872 40 0 GCABRN Cc1nc(N)nc(C)c1CCC(=O)N1CCN(Cc2ccccc2)[C@H](C(N)=O)C1 ZINC000257243271 570768767 /nfs/dbraw/zinc/76/87/67/570768767.db2.gz IGDQPKQSLNUCMO-SFHVURJKSA-N 0 0 396.495 0.807 40 0 GCABRN CNC(=O)[C@H]1CN(C(=O)Cn2nc(C(F)(F)F)c3c2CCCC3)CCN1C ZINC000257264039 570772364 /nfs/dbraw/zinc/77/23/64/570772364.db2.gz LSQANLXWHCBDHR-CYBMUJFWSA-N 0 0 387.406 0.669 40 0 GCABRN CC(=O)N1CCN(C(=O)Cn2nc(C(F)(F)F)cc2C)C[C@@H]1C(=O)N(C)C ZINC000257274355 570773926 /nfs/dbraw/zinc/77/39/26/570773926.db2.gz NKQXNVGACZAIEB-GFCCVEGCSA-N 0 0 389.378 0.358 40 0 GCABRN COc1ccc(C(=O)N2CCN(C(C)C)[C@H](C(N)=O)C2)cc1Cn1cccn1 ZINC000257279436 570774997 /nfs/dbraw/zinc/77/49/97/570774997.db2.gz OGQNKUHLJZWTPZ-KRWDZBQOSA-N 0 0 385.468 0.960 40 0 GCABRN CCOC(=O)[C@@H]1CS[C@H](CC(=O)Nc2ccc3c(c2)OCCO3)C(=O)N1 ZINC000009939435 570778106 /nfs/dbraw/zinc/77/81/06/570778106.db2.gz ULDZFQWNCWGFPE-SMDDNHRTSA-N 0 0 380.422 0.950 40 0 GCABRN Cn1ccc(NC(=O)CN2CCC([C@@H]3NC(=O)N[C@H]4OCCC[C@H]43)CC2)n1 ZINC000257310993 570779864 /nfs/dbraw/zinc/77/98/64/570779864.db2.gz UHLUAJBGLATMPE-JQFCIGGWSA-N 0 0 376.461 0.505 40 0 GCABRN CNC(=O)c1cnn2c1nccc2[C@@H]1CCCCN1C(=O)CN1CCOCC1 ZINC000257315435 570780295 /nfs/dbraw/zinc/78/02/95/570780295.db2.gz VBJBJBGFLDYENH-HNNXBMFYSA-N 0 0 386.456 0.475 40 0 GCABRN OC[C@@H]1O[C@@H](O[C@@H]2C[C@H](c3cccc(F)c3)O[C@@H]3CCC[C@H]32)[C@H](O)[C@H](O)[C@H]1O ZINC000257340191 570783954 /nfs/dbraw/zinc/78/39/54/570783954.db2.gz ZEZCCJDXBFRRDQ-JGRDWBAHSA-N 0 0 398.427 0.641 40 0 GCABRN Cc1nc2cc(C(=O)N(C)[C@@H]3CCC[C@@H](N4CCNC(=O)C4)[C@@H]3O)ccc2[nH]1 ZINC000257338019 570784162 /nfs/dbraw/zinc/78/41/62/570784162.db2.gz YVMBHYHVSRSUPM-ZHALLVOQSA-N 0 0 385.468 0.657 40 0 GCABRN O=C1Nc2ccccc2N=C(c2ccccc2)/C1=C/[C@H](O)[C@H](O)[C@@H](O)[C@@H](O)CO ZINC000015223759 570787908 /nfs/dbraw/zinc/78/79/08/570787908.db2.gz JWDROEPTMKFOIT-WTOAINDRSA-N 0 0 398.415 0.122 40 0 GCABRN Cc1cc(=O)oc2cc(O[C@]3(C)O[C@H](CO)[C@](C)(O)[C@@](C)(O)[C@@]3(C)O)ccc12 ZINC000012358924 570805744 /nfs/dbraw/zinc/80/57/44/570805744.db2.gz VERJTZMTVXTWPT-HKUYMTLNSA-N 0 0 394.420 0.841 40 0 GCABRN Cc1c([C@H]2C[C@H](C(=O)NCCc3ccccc3)N(C)S(=O)(=O)N2)cnn1C ZINC000072335089 570879654 /nfs/dbraw/zinc/87/96/54/570879654.db2.gz PFQOIUFLEYRMNC-IAGOWNOFSA-N 0 0 391.497 0.667 40 0 GCABRN O=C(COc1ncnc2ccccc21)NCCn1nnn(-c2cccs2)c1=O ZINC000072341056 570880991 /nfs/dbraw/zinc/88/09/91/570880991.db2.gz SIZDOCKQMQMXCV-UHFFFAOYSA-N 0 0 397.420 0.629 40 0 GCABRN CC(C)CNC(=O)c1cccnc1[C@H]1CCN(S(=O)(=O)N2CCOCC2)C1 ZINC000019708028 570898351 /nfs/dbraw/zinc/89/83/51/570898351.db2.gz YXLHLONQNIYADV-HNNXBMFYSA-N 0 0 396.513 0.834 40 0 GCABRN CN(C)C(=O)N1CCC2(Cc3nc(=O)c(C(=O)N4CCOCC4)cn3C2)CC1 ZINC000306127733 570937921 /nfs/dbraw/zinc/93/79/21/570937921.db2.gz GFUHMONIFKDNBC-UHFFFAOYSA-N 0 0 389.456 0.036 40 0 GCABRN O=C(NC1CCC1)c1nnc2n1CCN1CCN(C(=O)C3(F)CCC3)C[C@@H]21 ZINC000585109879 570938671 /nfs/dbraw/zinc/93/86/71/570938671.db2.gz FILQSVBDOWLAGR-ZDUSSCGKSA-N 0 0 376.436 0.652 40 0 GCABRN Cn1cc(-c2ccc3c(c2)[C@H]2CN(C(=O)C4CC(O)C4)C[C@H]2S3(=O)=O)cn1 ZINC000585110051 570938934 /nfs/dbraw/zinc/93/89/34/570938934.db2.gz BKHMXIHQQVNVQU-WYTDXMKESA-N 0 0 387.461 0.940 40 0 GCABRN CC(C)[C@H](C)NC(=O)c1cn2c(nc1=O)[C@]1(CC2)CCN(S(C)(=O)=O)C1 ZINC000306131864 570939796 /nfs/dbraw/zinc/93/97/96/570939796.db2.gz KRMSHDYSHZAXOK-YVEFUNNKSA-N 0 0 382.486 0.324 40 0 GCABRN CN(C)C(=O)N1CC[C@@]2(C1)CN(C)C[C@H](C(=O)N(C)Cc1ccccn1)O2 ZINC000306131583 570939803 /nfs/dbraw/zinc/93/98/03/570939803.db2.gz KJEXRCYFKJTYGC-APWZRJJASA-N 0 0 375.473 0.497 40 0 GCABRN COCC(=O)N1CCC2(CCc3nnc(C(=O)NCc4cccnc4)n32)CC1 ZINC000306131898 570940524 /nfs/dbraw/zinc/94/05/24/570940524.db2.gz KSGBCGVHKCGRQX-UHFFFAOYSA-N 0 0 384.440 0.513 40 0 GCABRN CN(Cc1ccccn1)C(=O)[C@@H]1CC[C@@H]2[C@@H](CCN2C(=O)c2ncn(C)n2)O1 ZINC000585108681 570940618 /nfs/dbraw/zinc/94/06/18/570940618.db2.gz WZJDYWZBIBCNHY-OAGGEKHMSA-N 0 0 384.440 0.631 40 0 GCABRN COCCN1CC[C@@]2(CN(C(=O)c3ccn(C)n3)C[C@@H]2c2cn(C)cn2)C1=O ZINC000306139671 570944245 /nfs/dbraw/zinc/94/42/45/570944245.db2.gz TXCRFROJBGWYEL-KUHUBIRLSA-N 0 0 386.456 0.258 40 0 GCABRN Cc1nc2c(nnn2C[C@H]2CCCN2S(=O)(=O)c2ccc(F)cc2)c(=O)[nH]1 ZINC000019286507 570969682 /nfs/dbraw/zinc/96/96/82/570969682.db2.gz PYYDNSIUERQPCC-GFCCVEGCSA-N 0 0 392.416 0.815 40 0 GCABRN Cn1c2ccc(S(=O)(=O)N3CCC[C@@H](CN4CCOCC4)C3)cc2oc1=O ZINC000019289844 570971412 /nfs/dbraw/zinc/97/14/12/570971412.db2.gz YYESRFIFCKZTRW-AWEZNQCLSA-N 0 0 395.481 0.864 40 0 GCABRN O=S(=O)(N1CCOCC1)N1C[C@H]2CCC[C@@H](C1)C2(O)c1cccnc1F ZINC000019293169 570973115 /nfs/dbraw/zinc/97/31/15/570973115.db2.gz PTLUWYVLDZJTGU-VMZNBEPHSA-N 0 0 385.461 0.717 40 0 GCABRN Cn1cc(S(=O)(=O)N2CCN(C(=O)c3noc4c3CCCC4)CC2)cn1 ZINC000002809249 570989455 /nfs/dbraw/zinc/98/94/55/570989455.db2.gz ZYRCRUDATDREDB-UHFFFAOYSA-N 0 0 379.442 0.434 40 0 GCABRN CCc1cc(=O)[nH]c([C@H]2CCCN2C(=O)C2CCN(S(C)(=O)=O)CC2)n1 ZINC000019522523 570995490 /nfs/dbraw/zinc/99/54/90/570995490.db2.gz LKJKJSNDOZVXHH-CQSZACIVSA-N 0 0 382.486 0.667 40 0 GCABRN CCN1C[C@H](C(=O)N2CCc3nc([C@@H]4CCCN(C(C)=O)C4)ncc3C2)CC1=O ZINC000019526954 570997584 /nfs/dbraw/zinc/99/75/84/570997584.db2.gz CEONYOGCFGHFNX-HZPDHXFCSA-N 0 0 399.495 0.956 40 0 GCABRN CCN1C[C@@H](C(=O)N2CCc3nc([C@@H]4CCCN(C(C)=O)C4)ncc3C2)CC1=O ZINC000019526953 570997694 /nfs/dbraw/zinc/99/76/94/570997694.db2.gz CEONYOGCFGHFNX-CVEARBPZSA-N 0 0 399.495 0.956 40 0 GCABRN Cc1c(-c2cc(C(=O)NCCS(=O)(=O)N3CCCCC3)on2)cnn1C ZINC000019554241 571002450 /nfs/dbraw/zinc/00/24/50/571002450.db2.gz YAGKGCMAGHLSBH-UHFFFAOYSA-N 0 0 381.458 0.929 40 0 GCABRN Cn1ncc2c1ncn(CC(=O)N(Cc1ccccn1)C[C@@H]1CCCO1)c2=O ZINC000019662777 571026510 /nfs/dbraw/zinc/02/65/10/571026510.db2.gz VFTYBPYSTGDPBX-HNNXBMFYSA-N 0 0 382.424 0.733 40 0 GCABRN Cn1cc(C(=O)NCCc2nc(-c3ccccc3)ncc2C(N)=O)ccc1=O ZINC000019697455 571030646 /nfs/dbraw/zinc/03/06/46/571030646.db2.gz BGTKJCRYAXHABL-UHFFFAOYSA-N 0 0 377.404 0.914 40 0 GCABRN CCc1cc(C(=O)NCCc2c(C)nn(C)c2C)c2c(=O)[nH]c(=O)n(C)c2n1 ZINC000019714554 571035995 /nfs/dbraw/zinc/03/59/95/571035995.db2.gz IPSMADDFZXIEDI-UHFFFAOYSA-N 0 0 384.440 0.507 40 0 GCABRN CN(C)C(=O)N1CCN(C(=O)NCc2cccc(N3CCOCC3)n2)CC1 ZINC000562318295 1186479346 /nfs/dbraw/zinc/47/93/46/1186479346.db2.gz LVEFRLCSWLTIAK-UHFFFAOYSA-N 0 0 376.461 0.427 40 0 GCABRN O=C1CN2CCN(S(=O)(=O)c3cccnc3)C[C@@H]2COc2ccccc2N1 ZINC001772594687 1187031581 /nfs/dbraw/zinc/03/15/81/1187031581.db2.gz LECYXQRHDLSHFG-CQSZACIVSA-N 0 0 388.449 0.788 40 0 GCABRN Cc1cc(C(=O)N2CCN(C(=O)[C@H](C)n3cnc4c3ncnc4N)[C@H](C)C2)[nH]n1 ZINC000616192608 1189717931 /nfs/dbraw/zinc/71/79/31/1189717931.db2.gz MFFIQJGZRGZJLB-NEPJUHHUSA-N 0 0 397.443 0.374 40 0 GCABRN CC(=O)N[C@H]1[C@@H](Oc2ccc3ccccc3c2)O[C@@H](CO)[C@@H](O)[C@H]1OC(C)=O ZINC000062725329 1199158453 /nfs/dbraw/zinc/15/84/53/1199158453.db2.gz FRTSLPFLUVGQPA-MDMHHNQBSA-N 0 0 389.404 0.733 40 0 GCABRN CCS(=O)(=O)N1CCc2c(nc(C3CCN(C(C)=O)CC3)nc2NC)C1 ZINC000019711350 1199838360 /nfs/dbraw/zinc/83/83/60/1199838360.db2.gz CTELXEDSKFCTBV-UHFFFAOYSA-N 0 0 381.502 0.952 40 0 GCABRN CC(=O)N[C@H]1[C@@H](OC(C)=O)[C@H](O)[C@H](CO)O[C@H]1Oc1cccc2ccccc21 ZINC000216307779 1199953859 /nfs/dbraw/zinc/95/38/59/1199953859.db2.gz BLLDREJCXJOWEZ-CENDIDJXSA-N 0 0 389.404 0.733 40 0 GCABRN CC(=O)N[C@@H]1[C@@H](OC(C)=O)[C@H](O)[C@H](CO)O[C@H]1Oc1ccc2ccccc2c1 ZINC000216307927 1199953863 /nfs/dbraw/zinc/95/38/63/1199953863.db2.gz FRTSLPFLUVGQPA-OMQSBVIBSA-N 0 0 389.404 0.733 40 0 GCABRN NC(=O)C1CCN(C(=O)c2ccc(CS(=O)(=O)N3CCOCC3)cc2)CC1 ZINC000216382680 222575922 /nfs/dbraw/zinc/57/59/22/222575922.db2.gz VGZPRXOXJZXDBE-UHFFFAOYSA-N 0 0 395.481 0.186 40 0 GCABRN Cc1cc(S(=O)(=O)NC(C)C)ccc1OCC(=O)N1CCC(C(N)=O)CC1 ZINC000408534584 231053606 /nfs/dbraw/zinc/05/36/06/231053606.db2.gz TUMZYWFVVWMOBW-UHFFFAOYSA-N 0 0 397.497 0.784 40 0 GCABRN COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NCCN2CCOCC2)cc1C ZINC000408592366 231070880 /nfs/dbraw/zinc/07/08/80/231070880.db2.gz LHOGFUSHECOPAI-AWEZNQCLSA-N 0 0 385.486 0.119 40 0 GCABRN Cc1cc(S(=O)(=O)NC(C)C)ccc1OCC(=O)NCCN1CCOCC1 ZINC000408597727 231074452 /nfs/dbraw/zinc/07/44/52/231074452.db2.gz XOPKJCRTFUIGPH-UHFFFAOYSA-N 0 0 399.513 0.509 40 0 GCABRN COC(=O)CSc1nnc(NC(=O)C2CCN(S(C)(=O)=O)CC2)s1 ZINC000225510174 222680803 /nfs/dbraw/zinc/68/08/03/222680803.db2.gz UFRGBYSRGQSEDN-UHFFFAOYSA-N 0 0 394.500 0.413 40 0 GCABRN COCCNC(=O)COc1ccc(Cl)cc1S(=O)(=O)N1CCOCC1 ZINC000022249203 530149261 /nfs/dbraw/zinc/14/92/61/530149261.db2.gz NNKGMBXTQZVYIY-UHFFFAOYSA-N 0 0 392.861 0.502 40 0 GCABRN CCOC(=O)N1CCN(C(=O)CNS(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000006955511 530342225 /nfs/dbraw/zinc/34/22/25/530342225.db2.gz XLLPRYADHWXOSQ-UHFFFAOYSA-N 0 0 389.861 0.919 40 0 GCABRN CCOc1cc(CNn2nnnc2N)cc(Br)c1OCC(N)=O ZINC000007601878 530342622 /nfs/dbraw/zinc/34/26/22/530342622.db2.gz NWIORNCMEVZQOM-UHFFFAOYSA-N 0 0 386.210 0.024 40 0 GCABRN COCCOC[C@]1(CNS(=O)(=O)c2ccc(F)cc2)C[C@@H](O)[C@@H](O)C1 ZINC000107283888 530415543 /nfs/dbraw/zinc/41/55/43/530415543.db2.gz WQIWKCHREVWLPR-MUJYYYPQSA-N 0 0 377.434 0.269 40 0 biogenic,in-vitro GCABRN CCS(=O)(=O)N1CC2(C1)[C@H](COc1nccc(C)n1)CCS2(=O)=O ZINC000306124805 530501569 /nfs/dbraw/zinc/50/15/69/530501569.db2.gz BZWMCBRFWRSIRJ-LBPRGKRZSA-N 0 0 375.472 0.003 40 0 GCABRN CC(C)c1ccc(S(=O)(=O)N([C@@H]2CS(=O)(=O)C[C@H]2O)N(C)C)cc1 ZINC000575421056 530687591 /nfs/dbraw/zinc/68/75/91/530687591.db2.gz MRFUOPRJMJBGQR-HUUCEWRRSA-N 0 0 376.500 0.435 40 0 GCABRN Cc1cc(C)c(S(=O)(=O)N(C[C@@H](O)CO)[C@H]2CCS(=O)(=O)C2)cc1C ZINC000575420997 530687872 /nfs/dbraw/zinc/68/78/72/530687872.db2.gz GBZOHQMHDVLKEH-LSDHHAIUSA-N 0 0 391.511 0.143 40 0 GCABRN O=S1(=O)C[C@@H]2N[C@@H]3CS(=O)(=O)C[C@@H]3N(Cc3ccccc3Cl)[C@H]2C1 ZINC000575421547 530688249 /nfs/dbraw/zinc/68/82/49/530688249.db2.gz IYSTZUSYCFDMRV-XGUBFFRZSA-N 0 0 390.914 0.076 40 0 GCABRN O=S1(=O)CC[C@@H](N(Cc2cccc(F)c2)N[C@H]2CCS(=O)(=O)C2)C1 ZINC000575422373 530688332 /nfs/dbraw/zinc/68/83/32/530688332.db2.gz VDTIWKZFARMBKO-LSDHHAIUSA-N 0 0 376.475 0.507 40 0 GCABRN Cc1ccc(C(=O)[O-])cc1S(=O)(=O)N(CC[NH3+])[C@]1(C)CCS(=O)(=O)C1 ZINC000575426638 530690358 /nfs/dbraw/zinc/69/03/58/530690358.db2.gz XHEQXNLDBJRZRV-OAHLLOKOSA-N 0 0 390.483 0.220 40 0 GCABRN COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCCO)C2)cc1Cl ZINC000009974633 530778124 /nfs/dbraw/zinc/77/81/24/530778124.db2.gz JOTTYVQCFBQWKL-NSHDSACASA-N 0 0 376.862 0.858 40 0 GCABRN CC(=O)NC1(CC(=O)N2CCOC[C@@]3(CC(C(N)=O)=C(C)O3)C2)CCCCC1 ZINC000257232615 222759371 /nfs/dbraw/zinc/75/93/71/222759371.db2.gz GLPWWKJXXUAWFS-HXUWFJFHSA-N 0 0 393.484 0.993 40 0 GCABRN Cc1oc([C@@H]2OC[C@@H](O)[C@H]2O)cc1C(=O)NCCCNC(=O)c1ccccn1 ZINC000257313236 222775000 /nfs/dbraw/zinc/77/50/00/222775000.db2.gz URMZTMVFBKEHBM-OIISXLGYSA-N 0 0 389.408 0.326 40 0 GCABRN O=C(CS(=O)(=O)c1nnnn1-c1cccc2ccccc21)N1CCOCC1 ZINC000001440533 212245325 /nfs/dbraw/zinc/24/53/25/212245325.db2.gz YMBPANBCLZYJCV-UHFFFAOYSA-N 0 0 387.421 0.448 40 0 GCABRN CCn1cc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3ccn(C)n3)C2)c(C)n1 ZINC000002809245 209116653 /nfs/dbraw/zinc/11/66/53/209116653.db2.gz NYGFONFKNGDVNG-ZDUSSCGKSA-N 0 0 380.474 0.984 40 0 GCABRN CC(C)C[C@@H]1NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)OC(=O)CCCNC1=O ZINC000225399401 206258939 /nfs/dbraw/zinc/25/89/39/206258939.db2.gz QWWUZAJFCIZIIQ-KKUMJFAQSA-N 0 0 383.489 0.890 40 0 biogenic,in-vitro GCABRN COc1ccc(Cl)cc1S(=O)(=O)N1CCC[C@@H](C(=O)NCC(N)=O)C1 ZINC000001347161 206374468 /nfs/dbraw/zinc/37/44/68/206374468.db2.gz YXUDWYHKBKPWIA-SNVBAGLBSA-N 0 0 389.861 0.351 40 0 GCABRN O=C(C1CCN(S(=O)(=O)c2ccc(-n3cnnn3)cc2)CC1)N1CCCC1 ZINC000001362985 206375214 /nfs/dbraw/zinc/37/52/14/206375214.db2.gz PDPCCYQMQVVYJM-UHFFFAOYSA-N 0 0 390.469 0.685 40 0 GCABRN CCCCNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(-n3cnnn3)cc2)C1 ZINC000004861053 206563076 /nfs/dbraw/zinc/56/30/76/206563076.db2.gz AVCYCHKWRYXQQT-AWEZNQCLSA-N 0 0 392.485 0.979 40 0 GCABRN COCCN1CC[C@@]2(CN(C(=O)c3ccnn3C)C[C@@H]2c2cn(C)cn2)C1=O ZINC000306141037 209106516 /nfs/dbraw/zinc/10/65/16/209106516.db2.gz VJNRHNGWHLYVKE-KUHUBIRLSA-N 0 0 386.456 0.258 40 0 GCABRN CCOC(=O)N1CCN(C2=[NH+][C@H](c3ccco3)[C@H](C(=O)OC)C([O-])=N2)CC1 ZINC000010157576 206808199 /nfs/dbraw/zinc/80/81/99/206808199.db2.gz ITQCDYZUDUJRAB-QWHCGFSZSA-N 0 0 378.385 0.370 40 0 GCABRN COCC(=O)N1CCN(S(=O)(=O)c2cnc(-c3ccccn3)nc2C)CC1 ZINC000012741687 206931469 /nfs/dbraw/zinc/93/14/69/206931469.db2.gz KFSHDLPFDJFUJB-UHFFFAOYSA-N 0 0 391.453 0.326 40 0 GCABRN CCOCCCNC(=O)c1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1 ZINC000014291890 207019408 /nfs/dbraw/zinc/01/94/08/207019408.db2.gz DCEPSRTXRUDJAI-UHFFFAOYSA-N 0 0 386.470 0.873 40 0 GCABRN Cn1nccc1C(=O)N1CC[C@]2(C1)CN(C)S(=O)(=O)c1ccccc1O2 ZINC000306139350 209105781 /nfs/dbraw/zinc/10/57/81/209105781.db2.gz SVAFWXTVDFXZKO-QGZVFWFLSA-N 0 0 376.438 0.718 40 0 GCABRN COc1ccc(F)cc1S(=O)(=O)N(C)CC(=O)N1CCC(C(N)=O)CC1 ZINC000016187547 207072501 /nfs/dbraw/zinc/07/25/01/207072501.db2.gz XQIVJKRHBLKHAP-UHFFFAOYSA-N 0 0 387.433 0.179 40 0 GCABRN CNS(=O)(=O)c1cc(C(=O)Nc2ccc(S(N)(=O)=O)cc2)ccc1OC ZINC000016189416 207074586 /nfs/dbraw/zinc/07/45/86/207074586.db2.gz IHGZNTGFOUAODR-UHFFFAOYSA-N 0 0 399.450 0.503 40 0 GCABRN CCn1ncc(N2C(=O)[C@H]3[C@H]4CC[C@H](O4)[C@@H]3C2=O)c1C(=O)Nc1cnn(C)c1C ZINC000017081446 207085455 /nfs/dbraw/zinc/08/54/55/207085455.db2.gz RXPBIVTWLKPDDB-XGUBFFRZSA-N 0 0 398.423 0.864 40 0 GCABRN O=CN1CCN(C(=O)Nc2ccc(NC(=O)N3CCN(C=O)CC3)cc2)CC1 ZINC000019075243 207100935 /nfs/dbraw/zinc/10/09/35/207100935.db2.gz YLWNLIIDBZUWJG-UHFFFAOYSA-N 0 0 388.428 0.298 40 0 GCABRN Cc1nc(C)n(CC(=O)Nc2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)n1 ZINC000019214695 207107280 /nfs/dbraw/zinc/10/72/80/207107280.db2.gz BRYZCXJKUWZDJZ-UHFFFAOYSA-N 0 0 393.469 0.863 40 0 GCABRN Cn1c2ccc(NC(=O)Cn3nc(-c4ccco4)cc(N)c3=O)cc2n(C)c1=O ZINC000019289815 207112540 /nfs/dbraw/zinc/11/25/40/207112540.db2.gz AYSWRFCJISUTTM-UHFFFAOYSA-N 0 0 394.391 0.915 40 0 GCABRN O=C(c1cn(C[C@H]2CCCN(C(=O)c3ccccn3)C2)nn1)N1CCOCC1 ZINC000019400180 207120238 /nfs/dbraw/zinc/12/02/38/207120238.db2.gz LNBXCXGFQWZBRI-HNNXBMFYSA-N 0 0 384.440 0.698 40 0 GCABRN O=C(CCCN1C(=O)CNC1=O)N1CC[C@@]2(C1)CCc1ccccc1C(=O)N2 ZINC000019375189 207120339 /nfs/dbraw/zinc/12/03/39/207120339.db2.gz PNXCFWXAWAHAEL-HXUWFJFHSA-N 0 0 384.436 0.666 40 0 GCABRN C[C@@H](Cc1ccccn1)NC(=O)[C@H]1CCCN(S(=O)(=O)c2cnn(C)c2)C1 ZINC000019457013 207123664 /nfs/dbraw/zinc/12/36/64/207123664.db2.gz GBDFGYTWDXMMBV-GJZGRUSLSA-N 0 0 391.497 0.963 40 0 GCABRN CCN1C[C@H](C(=O)N2CCc3nc([C@H]4CCN(C(C)=O)C4)ncc3C2)CC1=O ZINC000019526968 207129416 /nfs/dbraw/zinc/12/94/16/207129416.db2.gz YFMJFFRMSZRANS-LSDHHAIUSA-N 0 0 385.468 0.566 40 0 GCABRN CC(C)NC(=O)[C@@H]1CN(C(=O)c2cnccn2)C[C@]12Cc1ccccc1C(=O)N2 ZINC000019449853 207121798 /nfs/dbraw/zinc/12/17/98/207121798.db2.gz DYVWQZHYTBXGOT-HRAATJIYSA-N 0 0 393.447 0.798 40 0 GCABRN CS(=O)(=O)N1CCc2c(nc([C@H]3CCCCN3C(=O)C3CCC3)[nH]c2=O)C1 ZINC000019572838 207138557 /nfs/dbraw/zinc/13/85/57/207138557.db2.gz PALSTCBJXLUSOM-OAHLLOKOSA-N 0 0 394.497 0.941 40 0 GCABRN CS(=O)(=O)NCC(=O)N1CCC[C@H](c2ccc(C(=O)NCC3CC3)cn2)C1 ZINC000019705938 207149706 /nfs/dbraw/zinc/14/97/06/207149706.db2.gz UHQYZAFTVFJJGW-HNNXBMFYSA-N 0 0 394.497 0.477 40 0 GCABRN CN(C)C(=O)CN1CCN(C(=O)[C@@H]2CC(=O)N(c3cccc(F)c3)C2)CC1 ZINC000019581238 207140358 /nfs/dbraw/zinc/14/03/58/207140358.db2.gz CQEOTGFSHMUALA-CQSZACIVSA-N 0 0 376.432 0.411 40 0 GCABRN COCCNC(=O)CN1CC[C@@]2(CCC1=O)CNC(=O)c1ccccc1O2 ZINC000019593478 207143353 /nfs/dbraw/zinc/14/33/53/207143353.db2.gz BLWAMVIBHWUCEM-IBGZPJMESA-N 0 0 375.425 0.323 40 0 GCABRN CC(C)c1cc(C(=O)N[C@H](C)CN2CCOCC2)c2c(=O)[nH]c(=O)n(C)c2n1 ZINC000019714546 207152269 /nfs/dbraw/zinc/15/22/69/207152269.db2.gz QQWHXZYCRZUPDW-GFCCVEGCSA-N 0 0 389.456 0.196 40 0 GCABRN O=C(Cn1cncn1)N[C@@H]1CCc2ccc(S(=O)(=O)N3CCOCC3)cc21 ZINC000019749521 207159500 /nfs/dbraw/zinc/15/95/00/207159500.db2.gz ZJBRATLLWFGNFT-MRXNPFEDSA-N 0 0 391.453 0.103 40 0 GCABRN CN(C)S(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccc3c(c2)n(C)c(=O)n3C)C1 ZINC000020049942 207176288 /nfs/dbraw/zinc/17/62/88/207176288.db2.gz DJCPQWKKKXVPQJ-GFCCVEGCSA-N 0 0 395.485 0.334 40 0 GCABRN CCS(=O)(=O)N1c2ccc(C(=O)NCCN3CCOCC3)cc2C[C@H]1C ZINC000020449286 207193860 /nfs/dbraw/zinc/19/38/60/207193860.db2.gz RNPLBKHGFNGKIG-CQSZACIVSA-N 0 0 381.498 0.849 40 0 GCABRN NS(=O)(=O)c1ccc(N[C@H](O)CSc2nnnn2-c2ccccc2)cc1 ZINC000020530612 207201083 /nfs/dbraw/zinc/20/10/83/207201083.db2.gz DHCKUNRQPYEDRJ-CQSZACIVSA-N 0 0 392.466 0.832 40 0 GCABRN Nc1nc(N2CCOCC2)nc2c1[C@@H](C(=O)NCCc1ccccc1)CC(=O)N2 ZINC000020635719 207209163 /nfs/dbraw/zinc/20/91/63/207209163.db2.gz VXRPDWJUZVWCTN-AWEZNQCLSA-N 0 0 396.451 0.680 40 0 GCABRN O=C(Cn1ncn2c(cc3cc(F)ccc32)c1=O)NCCCN1CCOCC1 ZINC000020862857 207216882 /nfs/dbraw/zinc/21/68/82/207216882.db2.gz IEJXVSODUJDQPU-UHFFFAOYSA-N 0 0 387.415 0.627 40 0 GCABRN CCOC(=O)[C@@H]1C([O-])=NC(N2CCN(C(=O)OCC)CC2)=[NH+][C@H]1c1ccco1 ZINC000020637036 207209596 /nfs/dbraw/zinc/20/95/96/207209596.db2.gz QPINWYWYRZQIIU-KBPBESRZSA-N 0 0 392.412 0.760 40 0 GCABRN COCCCNC(=O)C(=O)NCCc1ccc(S(=O)(=O)NC(C)C)cc1 ZINC000022228236 207249470 /nfs/dbraw/zinc/24/94/70/207249470.db2.gz TVMOKQXSHPQECS-UHFFFAOYSA-N 0 0 385.486 0.185 40 0 GCABRN Cn1c(=O)cc(N(CCN2CCOCC2)C(=O)/C=C/c2ccccc2)n(C)c1=O ZINC000031769185 207384022 /nfs/dbraw/zinc/38/40/22/207384022.db2.gz LXKAMCFFSQYYSD-CMDGGOBGSA-N 0 0 398.463 0.463 40 0 GCABRN Cc1nn(C)cc1[C@H]1C[C@@H](C(=O)NCCc2ccccc2)N(C)S(=O)(=O)N1 ZINC000072335168 207998541 /nfs/dbraw/zinc/99/85/41/207998541.db2.gz ZVGBSONLTFAWRK-SJORKVTESA-N 0 0 391.497 0.667 40 0 GCABRN C[C@H](C(=O)N1CCNC(=O)C1)N1CC[C@@]2(CC(=O)c3ccccc3O2)CCC1=O ZINC000072327650 207996603 /nfs/dbraw/zinc/99/66/03/207996603.db2.gz SDWQXDXLYUVAHD-SPLOXXLWSA-N 0 0 399.447 0.750 40 0 GCABRN CS(=O)(=O)N1CCN(C(=O)c2ccc(Cl)cc2)C[C@]2(CNC(=O)C2)C1 ZINC000096143304 208271735 /nfs/dbraw/zinc/27/17/35/208271735.db2.gz KFJDIDCTZAIYNM-INIZCTEOSA-N 0 0 385.873 0.564 40 0 GCABRN CNC(=O)[C@@]12CCC3(CCN(C(=O)C(C)C)CC3)[C@@H]1CN(S(C)(=O)=O)C2 ZINC000096143724 208272125 /nfs/dbraw/zinc/27/21/25/208272125.db2.gz PIJNIWQCXYCSQL-KBXCAEBGSA-N 0 0 385.530 0.669 40 0 GCABRN CCN1C[C@@]23CN(C(=O)Cc4ccc(OC)cc4)C[C@@H](C[C@@H]2S1(=O)=O)O3 ZINC000096146042 208272864 /nfs/dbraw/zinc/27/28/64/208272864.db2.gz ZNQFMYWVEOAXLT-RYRKJORJSA-N 0 0 380.466 0.642 40 0 GCABRN CC(=O)N1CC[C@@H]2Oc3ccccc3S(=O)(=O)N(CC(=O)N(C)C)[C@H]2CC1 ZINC000096145829 208273738 /nfs/dbraw/zinc/27/37/38/208273738.db2.gz PQHWXCIYDFLINZ-GJZGRUSLSA-N 0 0 395.481 0.537 40 0 GCABRN CC(C)CNC(=O)[C@H]1Cn2ccnc2C2(CCN(S(=O)(=O)C3CC3)CC2)O1 ZINC000096036806 208255692 /nfs/dbraw/zinc/25/56/92/208255692.db2.gz GVPRRBYIENACTK-OAHLLOKOSA-N 0 0 396.513 0.837 40 0 GCABRN Cn1cc(CN2CCCn3c(=O)cc(CNC(=O)c4cnn(C)c4)nc3C2)cn1 ZINC000096059656 208259973 /nfs/dbraw/zinc/25/99/73/208259973.db2.gz CHLPSVVQQHCQND-UHFFFAOYSA-N 0 0 396.455 0.046 40 0 GCABRN CCOC(=O)CN1CCC2(CC1)O[C@@H](C(=O)NCC1CC1)Cn1ccnc12 ZINC000096080139 208261558 /nfs/dbraw/zinc/26/15/58/208261558.db2.gz BJSFAORAFNXRQY-OAHLLOKOSA-N 0 0 376.457 0.662 40 0 GCABRN O=C(NCCN1CCOCC1)C1=NO[C@]2(CCN(Cc3ccc(F)cc3)C2)C1 ZINC000096225695 208288844 /nfs/dbraw/zinc/28/88/44/208288844.db2.gz AEVZPVOBIWUDMG-HXUWFJFHSA-N 0 0 390.459 0.995 40 0 GCABRN CC(C)NC(=O)[C@@H]1Cn2ccnc2C2(CCN(C(=O)N3CCOCC3)CC2)O1 ZINC000096243681 208293231 /nfs/dbraw/zinc/29/32/31/208293231.db2.gz TVXPAFIDMITGGZ-HNNXBMFYSA-N 0 0 391.472 0.550 40 0 GCABRN Cc1cccc(CN2CCS(=O)(=O)[C@@H]3CCN(S(C)(=O)=O)CC[C@@H]32)n1 ZINC000096251644 208294949 /nfs/dbraw/zinc/29/49/49/208294949.db2.gz WIQCRWTWLVILBM-JKSUJKDBSA-N 0 0 387.527 0.413 40 0 GCABRN Cn1nc(C(=O)NCCN2CCOCC2)c(F)c1NC(=O)c1ccccc1 ZINC000041070573 208384061 /nfs/dbraw/zinc/38/40/61/208384061.db2.gz ANTAVEQTEGETTK-UHFFFAOYSA-N 0 0 375.404 0.874 40 0 GCABRN CS(=O)(=O)N(CCCC(=O)N1CCOCC1)c1ccc2c(c1)OCCO2 ZINC000113965432 208463231 /nfs/dbraw/zinc/46/32/31/208463231.db2.gz SXKHHLGUKBUSCB-UHFFFAOYSA-N 0 0 384.454 0.863 40 0 GCABRN O=C(c1cnccn1)N1CC[C@@H](c2nc3ccc(N4CCOCC4)cn3n2)C1 ZINC000306136241 209103205 /nfs/dbraw/zinc/10/32/05/209103205.db2.gz PNQIHZOLTWNHSG-CQSZACIVSA-N 0 0 379.424 0.986 40 0 GCABRN O=c1c(=O)n2c(nn1CC1CC1)CO[C@@]1(CCN(Cc3nccs3)C1)C2 ZINC000306134241 209101638 /nfs/dbraw/zinc/10/16/38/209101638.db2.gz NGWGUTBFMSGZIL-QGZVFWFLSA-N 0 0 375.454 0.446 40 0 GCABRN CN(C)S(=O)(=O)c1ccc(CCC(=O)NCCSc2nc[nH]n2)cc1 ZINC000222880959 208885213 /nfs/dbraw/zinc/88/52/13/208885213.db2.gz XQKIHBHJLXDWCP-UHFFFAOYSA-N 0 0 383.499 0.896 40 0 GCABRN CC(=O)N1C[C@H]2CN(C)C(=O)c3c(C(=O)NCc4ccccc4)ncn3[C@H]2C1 ZINC000306128357 209099939 /nfs/dbraw/zinc/09/99/39/209099939.db2.gz GYNGQUAANFXZAB-CVEARBPZSA-N 0 0 381.436 0.918 40 0 GCABRN CSc1ncnc2c1c(Br)cn2[C@@H]1O[C@@H](CO)[C@@H](O)[C@H]1O ZINC000004995507 220806916 /nfs/dbraw/zinc/80/69/16/220806916.db2.gz IRFZERSLBNKSOA-YLJFRXORSA-N 0 0 376.232 0.527 40 0 GCABRN CCS[C@@H]1[C@@H](OC(C)=O)O[C@@H]([C@@H](COC(C)=O)OC(C)=O)[C@H]1OC(C)=O ZINC000005120799 220830747 /nfs/dbraw/zinc/83/07/47/220830747.db2.gz STZCNEXTAMKTRZ-LEOABGAYSA-N 0 0 392.426 0.823 40 0 GCABRN COCc1cn([C@H]2CO[C@H]3[C@@H]2OC[C@@H]3NC(=O)c2ccc(N(C)C)cc2)nn1 ZINC000005396071 220864951 /nfs/dbraw/zinc/86/49/51/220864951.db2.gz BXUCGJORQVBHDX-WNRNVDISSA-N 0 0 387.440 0.628 40 0 biogenic,in-vitro GCABRN CC(C)(C)c1ccnc(N[C@H]2CO[C@H]3[C@@H]2OC[C@@H]3NC(=O)N2CCOCC2)n1 ZINC000005433890 220868165 /nfs/dbraw/zinc/86/81/65/220868165.db2.gz AMUSSZLUNXEVLQ-WMHQRMGPSA-N 0 0 391.472 0.763 40 0 biogenic,in-vitro GCABRN COc1cccc(CC(=O)N2Cc3cncn3[C@@H](CNS(C)(=O)=O)C2)c1 ZINC000247535061 209027342 /nfs/dbraw/zinc/02/73/42/209027342.db2.gz QFKUVSPJDZVBQY-HNNXBMFYSA-N 0 0 378.454 0.567 40 0 GCABRN COCCNC(=O)[C@H]1COC2(CN(c3ncc(F)cn3)C2)CN1CC1CC1 ZINC000247818457 209027729 /nfs/dbraw/zinc/02/77/29/209027729.db2.gz CFMNQFRPJBVOEN-OAHLLOKOSA-N 0 0 379.436 0.048 40 0 GCABRN CN1CCN(c2ncc3c(n2)[C@@]2(CCN(C(=O)[C@H]4CCOC4)C2)COC3)CC1 ZINC000248163811 209030820 /nfs/dbraw/zinc/03/08/20/209030820.db2.gz YXZUSHGNRLWBJE-MGPUTAFESA-N 0 0 387.484 0.265 40 0 GCABRN Cn1c(=O)c2ccc([C@H]3CCN(C(=O)Cc4ccccn4)C3)nc2n(C)c1=O ZINC000257205507 209055487 /nfs/dbraw/zinc/05/54/87/209055487.db2.gz AZJUEHHYSCBQAJ-ZDUSSCGKSA-N 0 0 379.420 0.586 40 0 GCABRN Cc1ocnc1C(=O)N[C@@H]1C[C@@H](Oc2ccccc2)[C@H](O)[C@H]1N1CCOCC1 ZINC000257210773 209056032 /nfs/dbraw/zinc/05/60/32/209056032.db2.gz BWCLDZAILUGXTK-FPAYPSAMSA-N 0 0 387.436 0.994 40 0 GCABRN Cc1n[nH]c(C)c1CC(=O)N1CCOC[C@](O)(CNC(=O)c2cscn2)C1 ZINC000257204132 209056515 /nfs/dbraw/zinc/05/65/15/209056515.db2.gz ATDOTDCCXJGBHZ-KRWDZBQOSA-N 0 0 393.469 0.045 40 0 GCABRN Cc1nc2ccccc2n1CC(=O)N1C[C@@H](O)[C@H](n2cnc3c2ncnc3N)C1 ZINC000257219502 209057685 /nfs/dbraw/zinc/05/76/85/209057685.db2.gz DHACPYAIYXFZBO-HUUCEWRRSA-N 0 0 392.423 0.511 40 0 GCABRN CC(=O)N1CCN(C(=O)c2ccccc2Cn2cccn2)C[C@H]1C(=O)N(C)C ZINC000257251088 209060697 /nfs/dbraw/zinc/06/06/97/209060697.db2.gz JPIIVNQCYRVRHB-SFHVURJKSA-N 0 0 383.452 0.693 40 0 GCABRN COC(=O)[C@@H]1C([O-])=NC(N2CCN(c3ccccn3)CC2)=[NH+][C@H]1c1ccco1 ZINC000010157570 221098558 /nfs/dbraw/zinc/09/85/58/221098558.db2.gz VNPUUKBDJJWLGJ-HOTGVXAUSA-N 0 0 383.408 0.813 40 0 GCABRN CC(=O)N1CCN(C(=O)Cn2nc3c(C)cc4cc(C)ccc4n3c2=O)CC1 ZINC000012181962 221162763 /nfs/dbraw/zinc/16/27/63/221162763.db2.gz GYOXXDUYJQZEHC-UHFFFAOYSA-N 0 0 381.436 0.957 40 0 GCABRN OC[C@@H]1O[C@H](Oc2ccc3cc(Br)ccc3c2)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000012957067 221250182 /nfs/dbraw/zinc/25/01/82/221250182.db2.gz NLRXQZJJCPRATR-QRJUGERDSA-N 0 0 385.210 0.781 40 0 GCABRN CC[C@@H](C)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]([C@@H](C)O)N[C@]21C(=O)Nc2ccc(F)cc21 ZINC000016024876 221354793 /nfs/dbraw/zinc/35/47/93/221354793.db2.gz IXUGXRFAPZBLMB-MDOODBKZSA-N 0 0 375.400 0.725 40 0 GCABRN CN(C)C(=S)S[C@H]1O[C@@H](CO)[C@@H](SC(=S)N(C)C)O[C@@H]1CO ZINC000017044489 221375714 /nfs/dbraw/zinc/37/57/14/221375714.db2.gz NSWFKRMBCOWTSI-UTINFBMNSA-N 0 0 386.586 0.567 40 0 GCABRN CC(=O)N1CCc2nc([C@@H]3CCCN(C(=O)C4=NNC(=O)CC4)C3)ncc2C1 ZINC000019018307 221394173 /nfs/dbraw/zinc/39/41/73/221394173.db2.gz VPVZERZHNMUJAV-CYBMUJFWSA-N 0 0 384.440 0.353 40 0 GCABRN Cc1ccc(C(=O)N[C@H]2CCCN(c3ncc4c(n3)CCOC4)C2)c(=O)n1C ZINC000019131755 221398257 /nfs/dbraw/zinc/39/82/57/221398257.db2.gz QKZDIKSGSLEMDA-HNNXBMFYSA-N 0 0 383.452 0.955 40 0 GCABRN CS(=O)(=O)N1CCCc2ccc(NC(=O)CCN3C(=O)CCNC3=O)cc21 ZINC000019660863 221438053 /nfs/dbraw/zinc/43/80/53/221438053.db2.gz KDNXZALABLWWQW-UHFFFAOYSA-N 0 0 394.453 0.669 40 0 GCABRN CN(C)c1ncnc2c1ncn2[C@@H]1CC[C@@H](NC(=O)c2ccccc2)[C@H](O)[C@H]1O ZINC000257304525 209072442 /nfs/dbraw/zinc/07/24/42/209072442.db2.gz SMBDQQZHRDXOCA-JHNDHUHGSA-N 0 0 396.451 0.748 40 0 GCABRN CS(=O)(=O)N(CC(=O)N1CCC(C(N)=O)CC1)c1ccc(F)c(Cl)c1 ZINC000408548763 533377108 /nfs/dbraw/zinc/37/71/08/533377108.db2.gz UTCWOMDBJLWIND-UHFFFAOYSA-N 0 0 391.852 0.969 40 0 GCABRN Cc1cc(C(=O)N[C@@H]2[C@@H](c3ccc(N4CCOCC4)nc3)C[C@@H](O)[C@H]2O)no1 ZINC000072321833 136168225 /nfs/dbraw/zinc/16/82/25/136168225.db2.gz HTTGAAHTHMGBRN-MOIQIXESSA-N 0 0 388.424 0.222 40 0 biogenic,in-vitro GCABRN O=C(c1cnc(N2CCOCC2)nc1)N1CCC(O)(c2cccnc2F)CC1 ZINC000072340058 136168553 /nfs/dbraw/zinc/16/85/53/136168553.db2.gz PZEUNUWWZMKULG-UHFFFAOYSA-N 0 0 387.415 0.971 40 0 GCABRN O=C1CO[C@]2(CN1c1ccc(F)cc1)COCCN(S(=O)(=O)C1CC1)C2 ZINC000096051324 136183561 /nfs/dbraw/zinc/18/35/61/136183561.db2.gz SNVCFVGVJLOPKN-QGZVFWFLSA-N 0 0 384.429 0.752 40 0 GCABRN COCC(=O)N1C[C@@H]2c3nc(N4CCC[C@@H](C)C4)ncc3CS(=O)(=O)[C@@H]2C1 ZINC000096252019 136185717 /nfs/dbraw/zinc/18/57/17/136185717.db2.gz RNTJVWJJHXNCCP-VHDGCEQUSA-N 0 0 394.497 0.582 40 0 GCABRN Cc1cnc(C(=O)N2CCc3nc(N4CCOCC4)nc(N(C)C)c3C2)cn1 ZINC000096254014 136185939 /nfs/dbraw/zinc/18/59/39/136185939.db2.gz UZOQQBNPUYLKMT-UHFFFAOYSA-N 0 0 383.456 0.676 40 0 GCABRN CS(=O)(=O)N1CCC(C(=O)NCc2nccc(N3CCCCC3)n2)CC1 ZINC000224162011 136206481 /nfs/dbraw/zinc/20/64/81/136206481.db2.gz STHIJYKUBIHMFE-UHFFFAOYSA-N 0 0 381.502 0.755 40 0 GCABRN Cn1cnnc1SCCn1c(Br)nc2c1c(=O)[nH]c(=O)n2C ZINC000062720438 222066358 /nfs/dbraw/zinc/06/63/58/222066358.db2.gz XMIOVDBHKCTULH-UHFFFAOYSA-N 0 0 386.235 0.107 40 0 GCABRN CC(=O)N1CCN(c2nc3c(c(=O)[nH]c(=O)n3C)n2Cc2cccc(C)c2)CC1 ZINC000072260123 222218074 /nfs/dbraw/zinc/21/80/74/222218074.db2.gz FNASBCNELZSFGT-UHFFFAOYSA-N 0 0 396.451 0.449 40 0 GCABRN O=C(Cc1n[nH]c(=O)c2ccccc12)NCCn1nnn(-c2cccs2)c1=O ZINC000072341037 222232181 /nfs/dbraw/zinc/23/21/81/222232181.db2.gz VSOGWIPFHQZSNS-UHFFFAOYSA-N 0 0 397.420 0.086 40 0 GCABRN CNC(=O)c1cnc(-c2ccccc2)nc1CCNC(=O)CN1CCOCC1 ZINC000072352094 222237262 /nfs/dbraw/zinc/23/72/62/222237262.db2.gz ASCRDKCFZDBBRB-UHFFFAOYSA-N 0 0 383.452 0.494 40 0 GCABRN CCN1C(=O)CC[C@@H]1CNC(=O)c1cc(S(=O)(=O)CC)c(N)cc1OC ZINC000077312090 222276917 /nfs/dbraw/zinc/27/69/17/222276917.db2.gz RXSOPJVIOWCCCJ-LLVKDONJSA-N 0 0 383.470 0.812 40 0 in-vitro GCABRN CCC(=O)N1CCC[C@]2(C(=O)N3CCOCC3)CN(c3ncccn3)C[C@@H]2C1 ZINC000096056180 222376197 /nfs/dbraw/zinc/37/61/97/222376197.db2.gz WNKHOMBLXBFTHV-JXFKEZNVSA-N 0 0 387.484 0.790 40 0 GCABRN O=S1(=O)Cc2cnc(N3CCCC3)nc2[C@H]2CN(c3ncc(F)cn3)C[C@H]21 ZINC000096083426 222378089 /nfs/dbraw/zinc/37/80/89/222378089.db2.gz TZEMZROYARHGQF-UONOGXRCSA-N 0 0 390.444 0.907 40 0 GCABRN CC(C)NC(=O)N[C@H]1C[C@H]2C(=O)NC[C@@H](CCC(=O)N3CCCCC3)N2C1 ZINC000015708527 519712428 /nfs/dbraw/zinc/71/24/28/519712428.db2.gz ALWLJLJTRAEBDI-XHSDSOJGSA-N 0 0 379.505 0.428 40 0 biogenic,in-vitro GCABRN CCOC(=O)CNC(=O)CSc1nnc(Cn2nnc3ccccc32)n1C ZINC000006546546 520779787 /nfs/dbraw/zinc/77/97/87/520779787.db2.gz WSCLVNBUZNWIBD-UHFFFAOYSA-N 0 0 389.441 0.380 40 0 GCABRN CCOC(=O)COc1ccc(S(=O)(=O)NCCCN2CCOCC2)cc1 ZINC000408590376 528847125 /nfs/dbraw/zinc/84/71/25/528847125.db2.gz GMAMUHBYODUNHL-UHFFFAOYSA-N 0 0 386.470 0.629 40 0 GCABRN O=C(c1cccnc1)N1CC2(C1)CN(C(=O)c1ccccc1)C[C@H]1C[C@@H](O)CN12 ZINC000514290414 560029662 /nfs/dbraw/zinc/02/96/62/560029662.db2.gz YOKAONLISTXYRN-RTBURBONSA-N 0 0 392.459 0.867 40 0 biogenic,in-vitro GCABRN O=C(c1cccnc1)N1C[C@H]2C[C@@H](O)CN2C2(CN(Cc3cccnc3)C2)C1 ZINC000514288801 560033991 /nfs/dbraw/zinc/03/39/91/560033991.db2.gz FBQFSHTXDPVFTN-RTBURBONSA-N 0 0 379.464 0.622 40 0 biogenic,in-vitro GCABRN CCCCC[C@@H](CC[C@@H]1CCC(=O)O1)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000514288246 560035428 /nfs/dbraw/zinc/03/54/28/560035428.db2.gz YAZBAPFSBSLGJA-AVXFYLFHSA-N 0 0 376.446 0.238 40 0 biogenic,in-vitro GCABRN COc1ccc(CN2CC3(C2)C(=O)N(C)C(=O)[C@@H]2C[C@@H](O)CN23)c2ccccc12 ZINC000225439959 560042728 /nfs/dbraw/zinc/04/27/28/560042728.db2.gz JYSWAZHOWAMRAD-QAPCUYQASA-N 0 0 395.459 0.837 40 0 biogenic,in-vitro GCABRN CCCCN1C(=O)[C@@H]2C[C@@H](O)CN2C2(CN(Cc3ccc(F)cc3)C2)C1=O ZINC000225380361 560044127 /nfs/dbraw/zinc/04/41/27/560044127.db2.gz FDCIPLHJWBPYED-SJORKVTESA-N 0 0 375.444 0.984 40 0 biogenic,in-vitro GCABRN CN(C)Cc1cc(C[C@@H]2CC[C@H](O)[C@@H](CNC(=O)N3CCOCC3)O2)no1 ZINC000096296002 560060204 /nfs/dbraw/zinc/06/02/04/560060204.db2.gz IUSDDMDCQWREOH-BHYGNILZSA-N 0 0 382.461 0.229 40 0 biogenic,in-vitro GCABRN CS(=O)(=O)Nc1ccc([C@H]2OCC(=O)N(C3CCOCC3)[C@@H]2CO)cc1 ZINC000072321532 560077553 /nfs/dbraw/zinc/07/75/53/560077553.db2.gz BIKLOKJBXPHIOP-NVXWUHKLSA-N 0 0 384.454 0.498 40 0 biogenic,in-vitro GCABRN O=C(CN1C(=O)c2ccccc2C1=O)[C@@H](O)CN1C(=O)c2ccccc2C1=O ZINC000001581877 560182552 /nfs/dbraw/zinc/18/25/52/560182552.db2.gz ZJZYQKKDHFXIAM-HNNXBMFYSA-N 0 0 378.340 0.509 40 0 in-vitro GCABRN O=C(C[C@@H]1O[C@H](CNC(=O)c2ccccc2)[C@@H](O)[C@H]1O)N1CCc2ccccc21 ZINC000008624310 560210014 /nfs/dbraw/zinc/21/00/14/560210014.db2.gz VQDGTWOHYBZUOE-IZZBFERCSA-N 0 0 396.443 0.885 40 0 biogenic,in-vitro GCABRN COc1ccccc1[C@@H]1CCCN1S(=O)(=O)c1cn(C)c(=O)n(C)c1=O ZINC000019719807 570210908 /nfs/dbraw/zinc/21/09/08/570210908.db2.gz RSGITQVYADCGJI-ZDUSSCGKSA-N 0 0 379.438 0.618 40 0 GCABRN COc1ccccc1[C@H]1CCCN1S(=O)(=O)c1cn(C)c(=O)n(C)c1=O ZINC000019719808 570210944 /nfs/dbraw/zinc/21/09/44/570210944.db2.gz RSGITQVYADCGJI-CYBMUJFWSA-N 0 0 379.438 0.618 40 0 GCABRN CNC(=O)c1cc2c(nc1NCC1CC1)CCN(S(=O)(=O)N(C)C)CC2 ZINC000096260563 570225844 /nfs/dbraw/zinc/22/58/44/570225844.db2.gz IYAFEAWQZQFAIL-UHFFFAOYSA-N 0 0 381.502 0.470 40 0 GCABRN COCCN1[C@@]2(CCN(C(=O)N3CCOCC3)C2)c2ccccc2S1(=O)=O ZINC000096261872 570226138 /nfs/dbraw/zinc/22/61/38/570226138.db2.gz PEBUQNMASPGTFL-GOSISDBHSA-N 0 0 395.481 0.691 40 0 GCABRN NC(=O)C[C@]1(COc2ccc(F)cc2)CN(C(=O)c2nccnc2N)CCO1 ZINC000585282987 570251209 /nfs/dbraw/zinc/25/12/09/570251209.db2.gz LJPWWZXNQXPGGM-GOSISDBHSA-N 0 0 389.387 0.364 40 0 GCABRN CC(=O)N[C@H]1CC2(CCN(C(=O)/C=C/c3ccnn3C)CC2)OC[C@]1(C)O ZINC000585289686 570257196 /nfs/dbraw/zinc/25/71/96/570257196.db2.gz LWNMNTAPYSPELY-NCWIEVAOSA-N 0 0 376.457 0.471 40 0 GCABRN CC(=O)N1CCN(C[C@@]2(O)CCN(C(=O)CCc3ccccc3)C[C@@H]2O)CC1 ZINC000585290962 570259540 /nfs/dbraw/zinc/25/95/40/570259540.db2.gz YLLCDFHIAANCPD-FPOVZHCZSA-N 0 0 389.496 0.108 40 0 GCABRN CC(=O)N1CC2(CCN(C(=O)/C=C/CN3CCOCC3)CC2)C[C@@H](O)C1(C)C ZINC000585291696 570260314 /nfs/dbraw/zinc/26/03/14/570260314.db2.gz RVAJZGVXMUWBPB-SHCNBLLESA-N 0 0 393.528 0.875 40 0 GCABRN O=C(CC(=O)N1CCN(c2ccccn2)CC1)N1CCN(c2ccccn2)CC1 ZINC000001568365 570265019 /nfs/dbraw/zinc/26/50/19/570265019.db2.gz XJJXTJHHITWGDG-UHFFFAOYSA-N 0 0 394.479 0.864 40 0 GCABRN COc1ccccc1NC(=O)[C@H]1CC(=O)Nc2nc(N3CCOCC3)nc(N)c21 ZINC000020800032 570281044 /nfs/dbraw/zinc/28/10/44/570281044.db2.gz JECFVACQKRBTQM-NSHDSACASA-N 0 0 398.423 0.969 40 0 GCABRN CN(C)S(=O)(=O)c1ccc(CNC(=O)C(=O)NCc2cccnc2)cc1 ZINC000020769029 570282043 /nfs/dbraw/zinc/28/20/43/570282043.db2.gz PYDATHZBZOFVII-UHFFFAOYSA-N 0 0 376.438 0.265 40 0 GCABRN Nc1nc2c(ncn2[C@@H]2O[C@@H](CO)[C@@H](O)[C@H]2O)c(CC(=O)c2ccccc2)n1 ZINC000104200557 570299153 /nfs/dbraw/zinc/29/91/53/570299153.db2.gz TXHIENAAASYZJJ-KMRSUVIZSA-N 0 0 385.380 0.076 40 0 GCABRN COc1cccc(NC(=O)N2CCN(S(C)(=O)=O)C[C@]3(CNC(=O)C3)C2)c1 ZINC000105834628 570305958 /nfs/dbraw/zinc/30/59/58/570305958.db2.gz LVLVINLHDLMTIN-QGZVFWFLSA-N 0 0 396.469 0.311 40 0 GCABRN O=S(=O)(c1ccc2ccccc2c1)N(C[C@H](O)CO)[C@@H]1CCS(=O)(=O)C1 ZINC000575424201 570309828 /nfs/dbraw/zinc/30/98/28/570309828.db2.gz TXBNUMLTOLJWMH-CVEARBPZSA-N 0 0 399.490 0.371 40 0 GCABRN CS(=O)(=O)N1C[C@@H]2CN(C(=O)c3nc[nH]n3)CC[C@@]2(c2ccccc2)C1 ZINC000107805910 570311138 /nfs/dbraw/zinc/31/11/38/570311138.db2.gz FNDURJOUAYTPMD-YOEHRIQHSA-N 0 0 375.454 0.480 40 0 GCABRN O=C(c1ccno1)N1CC2(C1)CN(C(=O)c1ccccc1)C[C@@H]1COCCN12 ZINC000604381804 570352695 /nfs/dbraw/zinc/35/26/95/570352695.db2.gz PFXDJRWZQMSCKU-MRXNPFEDSA-N 0 0 382.420 0.726 40 0 biogenic,in-vitro GCABRN CCCCN1C(=O)[C@@H]2[C@H](C1=O)[C@@H]([C@@H](C)O)N[C@@]21C(=O)Nc2ccc(F)cc21 ZINC000035375634 570363834 /nfs/dbraw/zinc/36/38/34/570363834.db2.gz QVYSYXNAPWSMPT-ZCBXCUIVSA-N 0 0 375.400 0.727 40 0 GCABRN COc1ccc(N([C@@H](C)C(=O)NCCN2CCOCC2)S(C)(=O)=O)cc1 ZINC000408617794 570364843 /nfs/dbraw/zinc/36/48/43/570364843.db2.gz JTUZWBWCHSODPU-AWEZNQCLSA-N 0 0 385.486 0.298 40 0 GCABRN COc1cccc(N([C@H](C)C(=O)NCCCN2CCOCC2)S(C)(=O)=O)c1 ZINC000220175360 570383422 /nfs/dbraw/zinc/38/34/22/570383422.db2.gz MFYPWRAPRXFAOC-OAHLLOKOSA-N 0 0 399.513 0.688 40 0 GCABRN CC[C@H](C(=O)NCCN1CCOCC1)N(c1ccc(OC)cc1)S(C)(=O)=O ZINC000220650887 570390400 /nfs/dbraw/zinc/39/04/00/570390400.db2.gz RQSIMPQKGTYDJJ-QGZVFWFLSA-N 0 0 399.513 0.688 40 0 GCABRN O=C([O-])[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CCC[NH2+]1 ZINC000004899793 570416393 /nfs/dbraw/zinc/41/63/93/570416393.db2.gz XQHGISDMVBTGAL-ULQDDVLXSA-N 0 0 399.451 0.001 40 0 GCABRN CC(=O)Nc1ncnc2c1ncn2[C@@H]1C[C@H](OC(C)=O)[C@H](COC(C)=O)O1 ZINC000004916563 570418038 /nfs/dbraw/zinc/41/80/38/570418038.db2.gz CBOSURABYCYSHO-AVGNSLFASA-N 0 0 377.357 0.567 40 0 GCABRN COCCCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CN(C)S(C)(=O)=O ZINC000222739100 570423235 /nfs/dbraw/zinc/42/32/35/570423235.db2.gz GUUDNVUSSQZWBL-HNNXBMFYSA-N 0 0 399.513 0.448 40 0 GCABRN CCNC(=O)c1ccc(OC)c(S(=O)(=O)NCCSc2n[nH]c(C)n2)c1 ZINC000223015826 570437526 /nfs/dbraw/zinc/43/75/26/570437526.db2.gz KQUCDSNLZFJYKM-UHFFFAOYSA-N 0 0 399.498 0.942 40 0 GCABRN Cc1cc(S(=O)(=O)N(C)C)ccc1OCC(=O)N1CCC(C(N)=O)CC1 ZINC000223050232 570440172 /nfs/dbraw/zinc/44/01/72/570440172.db2.gz RYAFKQUTVJMOHM-UHFFFAOYSA-N 0 0 383.470 0.348 40 0 GCABRN CNC(=O)COc1ccc(S(=O)(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1 ZINC000223278642 570455783 /nfs/dbraw/zinc/45/57/83/570455783.db2.gz VVIORFHAMLZLFZ-UHFFFAOYSA-N 0 0 399.450 0.260 40 0 GCABRN COc1ccc([C@H]2N(NC(=O)c3ccncc3)C(=O)CS2(=O)=O)cc1F ZINC000005812958 570457832 /nfs/dbraw/zinc/45/78/32/570457832.db2.gz TUSBLEDSMUAGJR-INIZCTEOSA-N 0 0 379.369 0.830 40 0 GCABRN CC1(C)c2sc(=O)[nH]c2S[C@H]2C(=O)N(CC(=O)N3CCOCC3)C(=O)[C@H]21 ZINC000006590797 570484429 /nfs/dbraw/zinc/48/44/29/570484429.db2.gz OBROIGWEUCEWJH-VHSXEESVSA-N 0 0 397.478 0.032 40 0 GCABRN COc1ccc(OCCNC(=O)[C@H]2CCCN(S(=O)(=O)N(C)C)C2)cc1 ZINC000224383414 570511504 /nfs/dbraw/zinc/51/15/04/570511504.db2.gz HLUOXZJDSUNUNE-AWEZNQCLSA-N 0 0 385.486 0.709 40 0 GCABRN COc1ccc(OCCNC(=O)[C@@H]2CCCN(S(=O)(=O)N(C)C)C2)cc1 ZINC000224383360 570511677 /nfs/dbraw/zinc/51/16/77/570511677.db2.gz HLUOXZJDSUNUNE-CQSZACIVSA-N 0 0 385.486 0.709 40 0 GCABRN COC(=O)[C@H](C)N(C(=O)Cc1ccc(OC)c(OC)c1)[C@H]1CCS(=O)(=O)C1 ZINC000032641436 570513240 /nfs/dbraw/zinc/51/32/40/570513240.db2.gz AQHJUPSRPLUUOF-JSGCOSHPSA-N 0 0 399.465 0.824 40 0 GCABRN Cc1ccnc(OC[C@@H]2CCS(=O)(=O)C23CN(C(=O)c2ccnnc2)C3)n1 ZINC000575402639 570519137 /nfs/dbraw/zinc/51/91/37/570519137.db2.gz DNLFSWFNARTEKR-AWEZNQCLSA-N 0 0 389.437 0.283 40 0 GCABRN COc1ccccc1N(CCCC(=O)N1CCC(C(N)=O)CC1)S(C)(=O)=O ZINC000224762677 570529568 /nfs/dbraw/zinc/52/95/68/570529568.db2.gz NZCIETXXCNYOQO-UHFFFAOYSA-N 0 0 397.497 0.965 40 0 GCABRN Cc1ccc(S(=O)(=O)N2C(=O)CC[C@H]2C(=O)NCCN2CCOCC2)cc1 ZINC000028209679 570531772 /nfs/dbraw/zinc/53/17/72/570531772.db2.gz SYLPMDSOAYIIHC-INIZCTEOSA-N 0 0 395.481 0.123 40 0 GCABRN Cc1ccc(S(=O)(=O)N2C(=O)CC[C@@H]2C(=O)NCCN2CCOCC2)cc1 ZINC000028209677 570531899 /nfs/dbraw/zinc/53/18/99/570531899.db2.gz SYLPMDSOAYIIHC-MRXNPFEDSA-N 0 0 395.481 0.123 40 0 GCABRN CCNC(=O)[C@H]1CC(=O)Nc2nc(N3CCC[C@H](C(=O)OCC)C3)[nH]c(=O)c21 ZINC000036069594 570554180 /nfs/dbraw/zinc/55/41/80/570554180.db2.gz FDEXWYYJXFRXPA-QWRGUYRKSA-N 0 0 391.428 0.111 40 0 GCABRN CNC(=S)N1CCC(NC(=O)[C@@H](Cc2ccc(OC)cc2)NC(C)=O)CC1 ZINC000001325385 570566514 /nfs/dbraw/zinc/56/65/14/570566514.db2.gz SHYUFOHTKFNBSJ-QGZVFWFLSA-N 0 0 392.525 0.827 40 0 GCABRN CCOC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(-n3cnnn3)c(C)c2)C1 ZINC000001342040 570570933 /nfs/dbraw/zinc/57/09/33/570570933.db2.gz FDCNQIWMRJRVJR-CYBMUJFWSA-N 0 0 379.442 0.935 40 0 GCABRN COc1cccc(NC(=O)[C@@H]2CC(=O)Nc3nc(N4CCOCC4)[nH]c(=O)c32)c1 ZINC000038828119 570583733 /nfs/dbraw/zinc/58/37/33/570583733.db2.gz JTDYRMKSJMIODX-CYBMUJFWSA-N 0 0 399.407 0.680 40 0 GCABRN CCOC(=O)N1CCN(C(=O)CN(CC)S(=O)(=O)c2ccccc2)CC1 ZINC000039985313 570595164 /nfs/dbraw/zinc/59/51/64/570595164.db2.gz ACIHJQQKHFAYHT-UHFFFAOYSA-N 0 0 383.470 0.998 40 0 GCABRN CCN(CC(=O)NCCCN1CCOCC1)S(=O)(=O)c1ccc(OC)cc1 ZINC000039986040 570595565 /nfs/dbraw/zinc/59/55/65/570595565.db2.gz XVLAPSLCYALQFO-UHFFFAOYSA-N 0 0 399.513 0.544 40 0 GCABRN CCN1CCN(C(=O)[C@H]2C[C@@H](c3ccc(F)cc3)NS(=O)(=O)N2C)CC1 ZINC000012129802 570613656 /nfs/dbraw/zinc/61/36/56/570613656.db2.gz WEBWEQBFEQZSKE-JKSUJKDBSA-N 0 0 384.477 0.569 40 0 GCABRN Cc1cc(N2CCOCC2)nc(C2CCN(C(=O)c3ccc(=O)n(C)n3)CC2)n1 ZINC000012142963 570614910 /nfs/dbraw/zinc/61/49/10/570614910.db2.gz OUPNTGMOCFGCKK-UHFFFAOYSA-N 0 0 398.467 0.735 40 0 GCABRN COC(=O)C1CCN(C(=O)COc2ccc(N(C)S(C)(=O)=O)cc2)CC1 ZINC000225798914 570618491 /nfs/dbraw/zinc/61/84/91/570618491.db2.gz RYVXGFRWHMPXIA-UHFFFAOYSA-N 0 0 384.454 0.873 40 0 GCABRN NC(=O)C1CCN(C(=O)Cn2nc3c4ccccc4nc(C4CC4)n3c2=O)CC1 ZINC000012182478 570619816 /nfs/dbraw/zinc/61/98/16/570619816.db2.gz VKKUXJICDRMNPN-UHFFFAOYSA-N 0 0 394.435 0.646 40 0 GCABRN COc1ccc(CCNC(=O)[C@H]2CCCN(S(=O)(=O)N(C)C)C2)cc1OC ZINC000044880779 570638050 /nfs/dbraw/zinc/63/80/50/570638050.db2.gz SSUNZIMNJBWDOO-HNNXBMFYSA-N 0 0 399.513 0.881 40 0 GCABRN Cn1nccc1C(=O)C1CCN(C(=O)CNS(=O)(=O)c2cccs2)CC1 ZINC000012337222 570644503 /nfs/dbraw/zinc/64/45/03/570644503.db2.gz FUWADBBWCJCYSL-UHFFFAOYSA-N 0 0 396.494 0.881 40 0 GCABRN COCC(=O)NC1CCN(Cc2nnnn2Cc2ccc3c(c2)OCO3)CC1 ZINC000004910316 570648399 /nfs/dbraw/zinc/64/83/99/570648399.db2.gz VPSRGUXYZZVWDS-UHFFFAOYSA-N 0 0 388.428 0.177 40 0 GCABRN COc1ccc(C=C(C(=O)N2CCOCC2)C(=O)N2CCOCC2)cc1OC ZINC000059501004 570659636 /nfs/dbraw/zinc/65/96/36/570659636.db2.gz BTGQUOKNSHEILI-UHFFFAOYSA-N 0 0 390.436 0.805 40 0 GCABRN Cn1nc(C2CC2)nc1CN1CCN(Cc2nc(C3CC3)nn2C)CC(O)C1 ZINC000576463803 570674888 /nfs/dbraw/zinc/67/48/88/570674888.db2.gz YDPRUPLJCCEBMF-UHFFFAOYSA-N 0 0 386.504 0.377 40 0 GCABRN COc1ccc(OC[C@H](O)Cn2c3c([nH]c2=S)n(C)c(=O)n(C)c3=O)cc1 ZINC000100619032 570709516 /nfs/dbraw/zinc/70/95/16/570709516.db2.gz ZIYIZNJURNYGFB-SNVBAGLBSA-N 0 0 392.437 0.171 40 0 GCABRN CS(=O)(=O)CCC(=O)N1Cc2ccnn2C[C@@H](CNc2ncccn2)C1 ZINC000247545249 570715353 /nfs/dbraw/zinc/71/53/53/570715353.db2.gz UGQDWPIIPYFDAP-ZDUSSCGKSA-N 0 0 378.458 0.178 40 0 GCABRN Cc1ccc(C2=NN[C@H]([C@@](C)(O)[C@](C)(O)[C@](C)(O)[C@](C)(O)CO)S2)cc1 ZINC000006204415 570739109 /nfs/dbraw/zinc/73/91/09/570739109.db2.gz MMIZAZUVAUSVMY-TZNCUMHOSA-N 0 0 384.498 0.315 40 0 GCABRN CCOC(=O)N1CCN(C(=O)[C@H](C)NS(=O)(=O)c2ccc(C)cc2)CC1 ZINC000006955532 570753485 /nfs/dbraw/zinc/75/34/85/570753485.db2.gz HKKCNAJNFWWJAV-AWEZNQCLSA-N 0 0 383.470 0.963 40 0 GCABRN [NH3+][C@H](CCCNc1nc2c([nH]1)C=CCN2CCCC[C@H]([NH3+])C(=O)[O-])C(=O)[O-] ZINC000064859447 570756588 /nfs/dbraw/zinc/75/65/88/570756588.db2.gz QCJYESKEQDNBSQ-NWDGAFQWSA-N 0 0 380.449 0.429 40 0 in-vitro GCABRN CC(=O)N1CC[NH+](C[C@@]2(O)CCCN(C(=O)Cc3c(C)n[nH]c3C)CC2)CC1 ZINC000257202146 570760223 /nfs/dbraw/zinc/76/02/23/570760223.db2.gz AKROBYLUKUOLEC-HXUWFJFHSA-N 0 0 391.516 0.477 40 0 GCABRN Cn1cnc2cc(C(=O)N3CC[C@@](C)(O)[C@H](n4ccc(=O)[nH]c4=O)C3)ccc21 ZINC000257205212 570760466 /nfs/dbraw/zinc/76/04/66/570760466.db2.gz AYCCNUUYIHVVMN-DNVCBOLYSA-N 0 0 383.408 0.674 40 0 GCABRN CCCCN1C(=O)[C@@H]2[C@H](C1=O)[C@@H]([C@H](C)O)N[C@]21C(=O)Nc2ccc(F)cc21 ZINC000013591737 570761135 /nfs/dbraw/zinc/76/11/35/570761135.db2.gz QVYSYXNAPWSMPT-VBWZGLGNSA-N 0 0 375.400 0.727 40 0 GCABRN CCc1nc2ccccc2n1CC(=O)N[C@@H]1CCC[C@@H](N2CCNC(=O)C2)[C@@H]1O ZINC000257232707 570765393 /nfs/dbraw/zinc/76/53/93/570765393.db2.gz GMARGJNBQUMKOY-QLVMHMETSA-N 0 0 399.495 0.429 40 0 GCABRN CNc1ncnc2c1ncn2[C@@H]1CC[C@@H](NC(=O)c2ncccc2C)[C@H](O)[C@H]1O ZINC000257235597 570766349 /nfs/dbraw/zinc/76/63/49/570766349.db2.gz GYNNSPBOSPTSRD-MPTQWLOMSA-N 0 0 397.439 0.427 40 0 GCABRN CNc1ncnc2c1ncn2[C@@H]1CC[C@@H](NC(=O)c2ncccc2C)[C@@H](O)[C@@H]1O ZINC000257235596 570766468 /nfs/dbraw/zinc/76/64/68/570766468.db2.gz GYNNSPBOSPTSRD-CZPYZCIJSA-N 0 0 397.439 0.427 40 0 GCABRN COc1ccccc1[C@@H]1N=C(N2CCN(CCO)CC2)Nc2nc(C)cc(=O)n21 ZINC000009289614 570774801 /nfs/dbraw/zinc/77/48/01/570774801.db2.gz WRKHSZYPCSTOBB-GOSISDBHSA-N 0 0 398.467 0.499 40 0 GCABRN Cn1nccc1C(=O)N[C@@H]1C[C@@H](Oc2ccccc2)[C@H](O)[C@H]1N1CCOCC1 ZINC000257296174 570777344 /nfs/dbraw/zinc/77/73/44/570777344.db2.gz RBNUJUSNUFGGKM-YSHGAJCASA-N 0 0 386.452 0.432 40 0 GCABRN COCC(=O)NC[C@]1(O)C[C@H](c2ccc(F)cc2)O[C@H](C)[C@H]1OC(=O)COC ZINC000257307562 570779044 /nfs/dbraw/zinc/77/90/44/570779044.db2.gz SZFVLABHZRSWBF-GWMUQRIZSA-N 0 0 399.415 0.728 40 0 GCABRN COc1ccc(C(=O)N[C@@H]2CC[C@@H](n3cc(C)c(=O)[nH]c3=O)[C@@H](O)[C@@H]2O)cc1 ZINC000257311409 570779746 /nfs/dbraw/zinc/77/97/46/570779746.db2.gz UJHKRFYBJKQPEC-KLHDSHLOSA-N 0 0 389.408 0.121 40 0 GCABRN CC(=O)N[C@]12CN(C(C)=O)[C@H](c3ccccc3)[C@H]1CCN(S(C)(=O)=O)C2 ZINC000257336736 570783863 /nfs/dbraw/zinc/78/38/63/570783863.db2.gz YPUKBDAMMKKMRD-KZNAEPCWSA-N 0 0 379.482 0.746 40 0 GCABRN O=C(Cn1ncc2ccccc2c1=O)N1CC[C@H](O)[C@@H](N2CCOCC2)CC1 ZINC000257340586 570784559 /nfs/dbraw/zinc/78/45/59/570784559.db2.gz ZGUQZZKZTSFTJD-ROUUACIJSA-N 0 0 386.452 0.081 40 0 GCABRN Cc1nn(C)cc1[C@H]1C[C@H](C(=O)Nc2cccc(O)c2)N(C)S(=O)(=O)N1 ZINC000072335111 570879406 /nfs/dbraw/zinc/87/94/06/570879406.db2.gz WVZPWIGGXDHXIR-HUUCEWRRSA-N 0 0 379.442 0.652 40 0 GCABRN COc1ccc(C)cc1S(=O)(=O)N(C)CC(=O)NCCCN1CCOCC1 ZINC000016291310 570921158 /nfs/dbraw/zinc/92/11/58/570921158.db2.gz KCFWPUICEIKYGM-UHFFFAOYSA-N 0 0 399.513 0.463 40 0 GCABRN COCCNC(=O)c1cn2c(n1)[C@@H](C)N(S(=O)(=O)c1cccnc1)CC2 ZINC000585096238 570923188 /nfs/dbraw/zinc/92/31/88/570923188.db2.gz CQNLTEZPUYRYLU-GFCCVEGCSA-N 0 0 379.442 0.420 40 0 GCABRN O=C(N[C@H]1CCS(=O)(=O)C1)C1=NO[C@@]2(C1)CCCN(Cc1ccccn1)C2 ZINC000585101053 570928521 /nfs/dbraw/zinc/92/85/21/570928521.db2.gz ACGAFYACDZJQJH-MAUKXSAKSA-N 0 0 392.481 0.496 40 0 GCABRN COCCn1nnnc1[C@H](c1ccc(OC)c(OC)c1)N1CCN(C)CC1 ZINC000019589845 570928799 /nfs/dbraw/zinc/92/87/99/570928799.db2.gz GIHKSZWBBSFNJW-KRWDZBQOSA-N 0 0 376.461 0.674 40 0 GCABRN COC[C@@H]1CCC2(CCN(C(=O)Cc3ccn(C)n3)CC2)N1S(C)(=O)=O ZINC000585104007 570929641 /nfs/dbraw/zinc/92/96/41/570929641.db2.gz YCWODKAMSRCTHQ-HNNXBMFYSA-N 0 0 384.502 0.394 40 0 GCABRN Cc1cncc(C(=O)N2C[C@@H]3Cn4c(nn(CC5CCC5)c(=O)c4=O)[C@H]3C2)c1 ZINC000306125008 570936248 /nfs/dbraw/zinc/93/62/48/570936248.db2.gz CELVKJLCKBSDEB-CVEARBPZSA-N 0 0 381.436 0.778 40 0 GCABRN O=C(c1ccco1)N1CC[C@@]2(C1)Cn1c(nn(C3CCCC3)c(=O)c1=O)CO2 ZINC000306130626 570939410 /nfs/dbraw/zinc/93/94/10/570939410.db2.gz JLKXRJSLLRBVCY-LJQANCHMSA-N 0 0 386.408 0.928 40 0 GCABRN Cc1noc(CC(=O)N2CC[C@H]3O[C@@H](C(=O)NCc4cccnc4)CC[C@H]32)n1 ZINC000585108740 570940704 /nfs/dbraw/zinc/94/07/04/570940704.db2.gz QLTWIJTYQCAMJR-BZUAXINKSA-N 0 0 385.424 0.780 40 0 GCABRN Cn1ccc(CC(=O)N2CC[C@H]3C[C@H](C(=O)NCc4cccnc4)O[C@@H]3C2)n1 ZINC000585109164 570941143 /nfs/dbraw/zinc/94/11/43/570941143.db2.gz YRHYSSSCIWLUDF-CGTJXYLNSA-N 0 0 383.452 0.680 40 0 GCABRN CN1CCN(c2ncc3c(n2)[C@@]2(CCN(C(=O)c4ncccn4)C2)COC3)CC1 ZINC000306134140 570941581 /nfs/dbraw/zinc/94/15/81/570941581.db2.gz NEFKBNPGXQASLR-HXUWFJFHSA-N 0 0 395.467 0.333 40 0 GCABRN CC(C)N1[C@@H]2CN(Cc3cnn(C)c3)C[C@@H]2N(C)c2ncccc2S1(=O)=O ZINC000306135380 570942227 /nfs/dbraw/zinc/94/22/27/570942227.db2.gz OPJHQJLESGUQBX-JKSUJKDBSA-N 0 0 390.513 0.917 40 0 GCABRN O=C(NCC[C@H]1CN(S(=O)(=O)C2CC2)Cc2ccnn21)c1cnccn1 ZINC000585112458 570942571 /nfs/dbraw/zinc/94/25/71/570942571.db2.gz QWSZTWJTOLFZES-LBPRGKRZSA-N 0 0 376.442 0.342 40 0 GCABRN Cn1cccc1C(=O)N1CCO[C@@H](Cn2nnc3c2ncnc3N2CCCC2)C1 ZINC000306140340 570944715 /nfs/dbraw/zinc/94/47/15/570944715.db2.gz UQLXOOFDRMSQSF-CQSZACIVSA-N 0 0 396.455 0.701 40 0 GCABRN O=C(CN1CCOCC1)N1CCc2ncc(-c3cnn(C(F)F)c3)n2CC1 ZINC000585111217 570945514 /nfs/dbraw/zinc/94/55/14/570945514.db2.gz JPPQQVCRINFXKR-UHFFFAOYSA-N 0 0 380.399 0.859 40 0 GCABRN O=c1c(=O)n(Cc2cccnc2)nc2n1CC1(C2)CCN(c2ncccn2)CC1 ZINC000306142250 570946025 /nfs/dbraw/zinc/94/60/25/570946025.db2.gz WUPPCZKHVGLEQL-UHFFFAOYSA-N 0 0 391.435 0.481 40 0 GCABRN Cc1ccnc(OC[C@H]2CCS(=O)(=O)C23CN(C(=O)[C@@H]2CCOC2)C3)n1 ZINC000306144688 570946728 /nfs/dbraw/zinc/94/67/28/570946728.db2.gz ZMCGTTLAIMYCHR-ZIAGYGMSSA-N 0 0 381.454 0.216 40 0 GCABRN Cn1c(=O)cc(C(=O)Nc2cccc(OCCN3CCOCC3)c2)n(C)c1=O ZINC000019288715 570971048 /nfs/dbraw/zinc/97/10/48/570971048.db2.gz ZCTIVIDYFBHFTM-UHFFFAOYSA-N 0 0 388.424 0.047 40 0 GCABRN O=C(COCCN1CCCC1=O)N1CCC[C@@H](c2cc(=O)nc3n2CCC3)C1 ZINC000019291938 570972391 /nfs/dbraw/zinc/97/23/91/570972391.db2.gz DAOMNJKASSCWKO-OAHLLOKOSA-N 0 0 388.468 0.535 40 0 GCABRN O=C(COCCN1CCCC1=O)N1CCC[C@H](c2cc(=O)nc3n2CCC3)C1 ZINC000019291939 570972423 /nfs/dbraw/zinc/97/24/23/570972423.db2.gz DAOMNJKASSCWKO-HNNXBMFYSA-N 0 0 388.468 0.535 40 0 GCABRN O=C(c1cn(C[C@@H]2CCCN(C(=O)c3ccncc3)C2)nn1)N1CCOCC1 ZINC000019404909 570983322 /nfs/dbraw/zinc/98/33/22/570983322.db2.gz BSZPBAHZKNGELB-OAHLLOKOSA-N 0 0 384.440 0.698 40 0 GCABRN CCC(=O)N1CCCC[C@H]1c1nc2c(c(=O)[nH]1)CCN(S(=O)(=O)CC)C2 ZINC000019498850 570991686 /nfs/dbraw/zinc/99/16/86/570991686.db2.gz KQFPLMBLPNMRTQ-AWEZNQCLSA-N 0 0 382.486 0.941 40 0 GCABRN CC[C@@H](C)C(=O)N1CC[C@H](c2nc3c(c(=O)[nH]2)CCN(S(C)(=O)=O)C3)C1 ZINC000019499776 570992255 /nfs/dbraw/zinc/99/22/55/570992255.db2.gz BGCRWMUPQJQBLW-NEPJUHHUSA-N 0 0 382.486 0.450 40 0 GCABRN CN(C)Cc1cc([C@H]2CC[C@H](CN(C)C(=O)CNS(C)(=O)=O)CC2)nn1C ZINC000585173823 570998173 /nfs/dbraw/zinc/99/81/73/570998173.db2.gz GBWJQNWFICBPLM-SHTZXODSSA-N 0 0 399.561 0.763 40 0 GCABRN Cc1nc([C@@H]2CCCN2C(=O)C2CCN(S(C)(=O)=O)CC2)[nH]c(=O)c1C ZINC000019555441 571003049 /nfs/dbraw/zinc/00/30/49/571003049.db2.gz BMWQZZKQMZOCLD-AWEZNQCLSA-N 0 0 382.486 0.722 40 0 GCABRN COc1ccc2c(c1)O[C@@]1(CCC(=O)N(CC(=O)NC3CC3)CC1)CNC2=O ZINC000019562753 571006402 /nfs/dbraw/zinc/00/64/02/571006402.db2.gz KACSFIXONLKALO-HXUWFJFHSA-N 0 0 387.436 0.847 40 0 GCABRN CS(=O)(=O)N1CCc2nc([C@@H]3CCCN(C(=O)C4CC4)C3)[nH]c(=O)c2C1 ZINC000019572656 571010561 /nfs/dbraw/zinc/01/05/61/571010561.db2.gz TVHZNLGJQWDIEU-GFCCVEGCSA-N 0 0 380.470 0.204 40 0 GCABRN CS(=O)(=O)N1CCc2c(nc([C@H]3CCN(C(=O)C4CCCC4)C3)[nH]c2=O)C1 ZINC000019573006 571010755 /nfs/dbraw/zinc/01/07/55/571010755.db2.gz IVPPATLZABGRDD-ZDUSSCGKSA-N 0 0 394.497 0.594 40 0 GCABRN C[C@@H](Cn1nnn(-c2ccco2)c1=O)NC(=O)Cc1n[nH]c(=O)c2ccccc12 ZINC000019574206 571011070 /nfs/dbraw/zinc/01/10/70/571011070.db2.gz ZTJIMJNPHZHOEZ-NSHDSACASA-N 0 0 395.379 0.006 40 0 GCABRN Cn1ncc2c1ncn(CC(=O)N(Cc1ccccn1)C[C@H]1CCCO1)c2=O ZINC000019662779 571026556 /nfs/dbraw/zinc/02/65/56/571026556.db2.gz VFTYBPYSTGDPBX-OAHLLOKOSA-N 0 0 382.424 0.733 40 0 GCABRN C[C@@H]1CC[C@@H]2C(C(=O)O[C@H]3O[C@@H](C)[C@H](O)[C@H](O)[C@H]3O)=C[C@]3(O)CC(C)(C)C[C@@]123 ZINC001772591804 1186781063 /nfs/dbraw/zinc/78/10/63/1186781063.db2.gz QEZOAVXNNSLPOZ-QVXFYADPSA-N 0 0 396.480 0.881 40 0 GCABRN COCC(=O)N1CCN2CC(=O)Nc3cc(-c4cnn(C)c4)ccc3OC[C@@H]2C1 ZINC001772594474 1187021351 /nfs/dbraw/zinc/02/13/51/1187021351.db2.gz DLMRGTUEOKDOIR-INIZCTEOSA-N 0 0 399.451 0.577 40 0 GCABRN CCN1C(=O)[C@H]2CN(C(=O)c3ccc4nccn4c3)CCN2C12CCOCC2 ZINC001772595304 1187053404 /nfs/dbraw/zinc/05/34/04/1187053404.db2.gz LEGAJXBAVZBMFD-MRXNPFEDSA-N 0 0 383.452 0.830 40 0 GCABRN CS(=O)(=O)N1CCN2[C@H](C1)C(=O)N(Cc1ccccc1)C21CCOCC1 ZINC001772595511 1187054228 /nfs/dbraw/zinc/05/42/28/1187054228.db2.gz CEAJAUAGTMZMHV-MRXNPFEDSA-N 0 0 379.482 0.481 40 0 GCABRN CCN1C(=O)[C@H]2CN(S(=O)(=O)c3cccnc3)CCN2C12CCOCC2 ZINC001772595878 1187055615 /nfs/dbraw/zinc/05/56/15/1187055615.db2.gz QIOBRDYGIRKVPC-OAHLLOKOSA-N 0 0 380.470 0.125 40 0 GCABRN NC(=O)C[C@]1(COc2ccc(F)cc2)CN(C(=O)c2csc(N)n2)CCO1 ZINC000585285280 1189785604 /nfs/dbraw/zinc/78/56/04/1189785604.db2.gz WWIMEQGNVSEPFU-QGZVFWFLSA-N 0 0 394.428 1.030 40 0 GCABRN CC(=O)N[C@H]1[C@@H](Oc2cccc3ccccc32)O[C@@H](CO)[C@@H](O)[C@@H]1OC(C)=O ZINC000062725325 1199158199 /nfs/dbraw/zinc/15/81/99/1199158199.db2.gz BLLDREJCXJOWEZ-UTBUEMAESA-N 0 0 389.404 0.733 40 0 GCABRN CC(=O)N[C@@H]1[C@H](Oc2cccc3ccccc32)O[C@H](CO)[C@H](O)[C@H]1OC(C)=O ZINC000242425491 1199664551 /nfs/dbraw/zinc/66/45/51/1199664551.db2.gz BLLDREJCXJOWEZ-JAZQRGJZSA-N 0 0 389.404 0.733 40 0 GCABRN OC[C@@H]1O[C@H](n2cnc3c2ncnc3Nc2ccccc2Cl)[C@@H](O)[C@H]1O ZINC000003040765 1199980275 /nfs/dbraw/zinc/98/02/75/1199980275.db2.gz ONONMLMFXBFTIS-SDPXSBNPSA-N 0 0 377.788 0.835 40 0 GCABRN COc1ccc(-c2nnc(S[C@H]3CCS(=O)(=O)C3)n(N)c2=O)cc1OC ZINC000217377053 1205698410 /nfs/dbraw/zinc/69/84/10/1205698410.db2.gz UOZKXZAIJVNXFH-JTQLQIEISA-N 0 0 398.466 0.316 40 0 GCABRN CC[C@@H](C)NS(=O)(=O)c1ccc(OCC(=O)N2CCC(C(N)=O)CC2)cc1 ZINC000409201630 529375070 /nfs/dbraw/zinc/37/50/70/529375070.db2.gz WXHMJJWZBLKUEL-CYBMUJFWSA-N 0 0 397.497 0.866 40 0 GCABRN CNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(C)S(C)(=O)=O ZINC000222815249 222616071 /nfs/dbraw/zinc/61/60/71/222616071.db2.gz ITPICNXQGQEFLU-LLVKDONJSA-N 0 0 375.878 0.695 40 0 GCABRN Cc1ccc(S(=O)(=O)N2CCC(C(N)=O)CC2)cc1C(=O)N1CCOCC1 ZINC000408616911 231081177 /nfs/dbraw/zinc/08/11/77/231081177.db2.gz BNMOYTQPCZEFTH-UHFFFAOYSA-N 0 0 395.481 0.353 40 0 GCABRN COCCNS(=O)(=O)c1ccc(OCC(=O)NCCCOC(C)C)cc1 ZINC000408605147 231076338 /nfs/dbraw/zinc/07/63/38/231076338.db2.gz MSXSTTQVNMTAGF-UHFFFAOYSA-N 0 0 388.486 0.921 40 0 GCABRN OC[C@@H]1O[C@H](n2cnc3c2ncnc3NCc2ccccc2Cl)[C@H](O)[C@H]1O ZINC000408722640 231105426 /nfs/dbraw/zinc/10/54/26/231105426.db2.gz AIFYZXYYAFRRQV-DPYKFYPSSA-N 0 0 391.815 0.703 40 0 GCABRN CN(C)C(=O)COCC[C@H]1CCOC12CCN(S(=O)(=O)N(C)C)CC2 ZINC000585104952 530222851 /nfs/dbraw/zinc/22/28/51/530222851.db2.gz MTAGOBKCNSLVLR-AWEZNQCLSA-N 0 0 377.507 0.159 40 0 GCABRN Cn1c(SCC(N)=O)nnc1-c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000000931280 530307317 /nfs/dbraw/zinc/30/73/17/530307317.db2.gz WXJVTKCKFVWMGE-UHFFFAOYSA-N 0 0 381.483 0.844 40 0 GCABRN CCOc1cc(CNc2nnnn2C)cc(Br)c1OCC(N)=O ZINC000008253738 530343065 /nfs/dbraw/zinc/34/30/65/530343065.db2.gz HWKRLIGBJFQEHX-UHFFFAOYSA-N 0 0 385.222 0.848 40 0 GCABRN Cn1ncc(I)c1C(=O)NC(=S)N1CCN(C)CC1 ZINC000022402116 530404947 /nfs/dbraw/zinc/40/49/47/530404947.db2.gz NVHGIJLYRVXLCR-UHFFFAOYSA-N 0 0 393.254 0.287 40 0 GCABRN COC(=O)[C@@H]1CN(C(=O)C2CCN(S(C)(=O)=O)CC2)c2ccccc2O1 ZINC000226075856 222704509 /nfs/dbraw/zinc/70/45/09/222704509.db2.gz OBOYKJHWHXWYCP-HNNXBMFYSA-N 0 0 382.438 0.625 40 0 GCABRN CS(=O)(=O)N(CC(=O)N1CCC(C(N)=O)CC1)Cc1ccccc1Cl ZINC000223483340 530503962 /nfs/dbraw/zinc/50/39/62/530503962.db2.gz YDRSUDHMHSXUJG-UHFFFAOYSA-N 0 0 387.889 0.826 40 0 GCABRN NS(=O)(=O)c1ccc(CNC(=O)CCn2cc(Br)cn2)cc1 ZINC000027968874 530584783 /nfs/dbraw/zinc/58/47/83/530584783.db2.gz TYYNJZAUOCFSDW-UHFFFAOYSA-N 0 0 387.259 1.000 40 0 GCABRN CCN([C@@H]1CS(=O)(=O)C[C@@H]1O)S(=O)(=O)c1ccc(Br)cc1 ZINC000575423710 530688448 /nfs/dbraw/zinc/68/84/48/530688448.db2.gz QUZZKAPYKVOOAS-NEPJUHHUSA-N 0 0 398.300 0.618 40 0 GCABRN CCN([C@]1(C)CCS(=O)(=O)C1)S(=O)(=O)c1ccc(CNC(C)=O)cc1 ZINC000575422567 530688640 /nfs/dbraw/zinc/68/86/40/530688640.db2.gz NIOAVOZAAVLSEX-MRXNPFEDSA-N 0 0 388.511 0.911 40 0 GCABRN O=S1(=O)C[C@@H]2N[C@@H]3CS(=O)(=O)C[C@H]3N(Cc3cccc(Cl)c3)[C@H]2C1 ZINC000575423130 530688831 /nfs/dbraw/zinc/68/88/31/530688831.db2.gz OKKXYBLYIOKFOT-NMWPEEMBSA-N 0 0 390.914 0.076 40 0 GCABRN COc1ccc(NC(C)=O)cc1S(=O)(=O)N(C)[C@@]1(C)CCS(=O)(=O)C1 ZINC000575426701 530689884 /nfs/dbraw/zinc/68/98/84/530689884.db2.gz YJQRHJGVGVAGRL-HNNXBMFYSA-N 0 0 390.483 0.851 40 0 GCABRN Cc1ccc(Cl)cc1S(=O)(=O)N([C@@H]1CS(=O)(=O)C[C@H]1O)N(C)C ZINC000575426297 530689911 /nfs/dbraw/zinc/68/99/11/530689911.db2.gz QRPUKAJQBVUYNY-VXGBXAGGSA-N 0 0 382.891 0.274 40 0 GCABRN C[C@@]1(O)CCN(C(=O)CCc2nc3ccccc3[nH]2)C[C@H]1n1ccc(=O)[nH]c1=O ZINC000257252238 222765034 /nfs/dbraw/zinc/76/50/34/222765034.db2.gz JUAYNVVSEJUHGT-FOIQADDNSA-N 0 0 397.435 0.982 40 0 GCABRN O=C(c1ccoc1)N1CCO[C@H](Cn2nnc3c2ncnc3N2CCCC2)C1 ZINC000306135933 222798597 /nfs/dbraw/zinc/79/85/97/222798597.db2.gz PEVVGQBHHVPRQV-AWEZNQCLSA-N 0 0 383.412 0.956 40 0 GCABRN CCCS(=O)(=O)N1CC2(C1)[C@H](COc1ncccn1)CCS2(=O)=O ZINC000306135872 222798666 /nfs/dbraw/zinc/79/86/66/222798666.db2.gz PDKGFLRIRCFXEF-LBPRGKRZSA-N 0 0 375.472 0.084 40 0 GCABRN COCc1cn([C@H]2CO[C@H]3[C@@H]2OC[C@@H]3NC(=O)Nc2ccc(OC)cc2)nn1 ZINC000004260916 291101451 /nfs/dbraw/zinc/10/14/51/291101451.db2.gz VGLDNBAEOSILTE-MWDXBVQZSA-N 0 0 389.412 0.962 40 0 biogenic,in-vitro GCABRN COc1ccc(NC2=N[C@@H]3[C@H](S2)[C@@H](C(=O)NC2CC2)C[C@@H](O)[C@@H]3O)cc1 ZINC000008254774 291101703 /nfs/dbraw/zinc/10/17/03/291101703.db2.gz IQXNRQUHTYRZHY-XFIYOXNOSA-N 0 0 377.466 0.967 40 0 biogenic,in-vitro GCABRN Cc1[nH]c(=O)[nH]c(=O)c1C=CC(=O)N[C@@H](CO)CSCc1ccccc1 ZINC000001756808 212255969 /nfs/dbraw/zinc/25/59/69/212255969.db2.gz PVVOXOJGFNXJJC-NPQIQWPPSA-N 0 0 375.450 0.795 40 0 GCABRN COCC(=O)N1CCN2[C@@H](C1)CN(S(=O)(=O)c1ccccc1)CC2(C)C ZINC000253398361 212135967 /nfs/dbraw/zinc/13/59/67/212135967.db2.gz HCQPTVADBHQTOJ-HNNXBMFYSA-N 0 0 381.498 0.629 40 0 biogenic,in-vitro GCABRN NS(=O)(=O)c1ccc2c(c1)CN(c1cc(NCCO)nc(C3CC3)n1)CC2 ZINC000329038624 212093371 /nfs/dbraw/zinc/09/33/71/212093371.db2.gz RTKYQHNKTBBHLC-UHFFFAOYSA-N 0 0 389.481 0.968 40 0 GCABRN Cc1ccnc(OC[C@H]2CCS(=O)(=O)C23CN(C(=O)[C@H]2CCOC2)C3)n1 ZINC000306144687 209107563 /nfs/dbraw/zinc/10/75/63/209107563.db2.gz ZMCGTTLAIMYCHR-UONOGXRCSA-N 0 0 381.454 0.216 40 0 GCABRN COCCn1nnnc1[C@H](c1cc2cccc(C)c2[nH]c1=O)N1CCOCC1 ZINC000019973081 206257956 /nfs/dbraw/zinc/25/79/56/206257956.db2.gz BBFSDPMBCFKSAC-KRWDZBQOSA-N 0 0 384.440 0.891 40 0 GCABRN COC(=O)[C@@H]1CC(=O)N(c2ccc(N3CCN(S(C)(=O)=O)CC3)cc2)C1 ZINC000045958011 206264345 /nfs/dbraw/zinc/26/43/45/206264345.db2.gz LILNRULCCZHARB-CYBMUJFWSA-N 0 0 381.454 0.294 40 0 GCABRN CCS(=O)(=O)N1C[C@@H]2Cc3nnc(C(=O)Nc4ccccc4)n3C[C@H]2C1 ZINC000306139728 209106178 /nfs/dbraw/zinc/10/61/78/209106178.db2.gz TYTBXXCZIJLSJD-QWHCGFSZSA-N 0 0 375.454 0.984 40 0 GCABRN Cc1c([C@@H]2C[C@@H](C(=O)NCc3cccs3)N(C)S(=O)(=O)N2)cnn1C ZINC000012131057 206860211 /nfs/dbraw/zinc/86/02/11/206860211.db2.gz NLBSOYLOSOSANV-KBPBESRZSA-N 0 0 383.499 0.686 40 0 GCABRN Cc1nn(C)cc1C1=NS(=O)(=O)N(C)C(C(=O)Nc2cccc(O)c2)=C1 ZINC000012155186 206863569 /nfs/dbraw/zinc/86/35/69/206863569.db2.gz NDHMZBFNMQECKM-UHFFFAOYSA-N 0 0 375.410 0.936 40 0 GCABRN CN1CCN(c2ncccn2)C[C@H]1c1nnc2ccc(C(=O)NC3CC3)cn21 ZINC000306138779 209106114 /nfs/dbraw/zinc/10/61/14/209106114.db2.gz SHJCACZIMQMYCK-HNNXBMFYSA-N 0 0 378.440 0.905 40 0 GCABRN COCCN1CC[C@@]2(CN(C(=O)c3ccn(C)n3)C[C@H]2c2cn(C)cn2)C1=O ZINC000306139672 209105898 /nfs/dbraw/zinc/10/58/98/209105898.db2.gz TXCRFROJBGWYEL-LIRRHRJNSA-N 0 0 386.456 0.258 40 0 GCABRN CCS(=O)(=O)CCN1Cc2ccnn2[C@@H](CC(=O)N2CC(F)(F)C2)C1 ZINC000306139089 209105923 /nfs/dbraw/zinc/10/59/23/209105923.db2.gz SPADSCVSZIYPJE-ZDUSSCGKSA-N 0 0 376.429 0.542 40 0 GCABRN COCCNC(=O)CN1CCCC[C@H]1c1ncc2c(n1)CCN(C(C)=O)C2 ZINC000019018254 207099413 /nfs/dbraw/zinc/09/94/13/207099413.db2.gz RJVRVJVYMSPTTP-KRWDZBQOSA-N 0 0 375.473 0.671 40 0 GCABRN Cc1nc2c(c(=O)[nH]1)C[C@@H]1CC[C@H](C2)N1C(=O)C1CCN(S(C)(=O)=O)CC1 ZINC000019286304 207113080 /nfs/dbraw/zinc/11/30/80/207113080.db2.gz VLZDJOLZTMSLHZ-UONOGXRCSA-N 0 0 394.497 0.208 40 0 GCABRN COc1cc2nc3n(c(=O)c2cc1OC)CCN(C(=O)c1ccnn1C)CC3 ZINC000019289161 207113494 /nfs/dbraw/zinc/11/34/94/207113494.db2.gz CYRYUKKIHSRTGV-UHFFFAOYSA-N 0 0 383.408 0.846 40 0 GCABRN Cc1nc2c(c(=O)[nH]1)CCN(C(=O)[C@@H](C)n1ncc3ccccc3c1=O)CC2 ZINC000019286382 207113572 /nfs/dbraw/zinc/11/35/72/207113572.db2.gz KSXRJZZHKIWOSR-GFCCVEGCSA-N 0 0 379.420 0.977 40 0 GCABRN O=C(NC1CCN(c2ncc3c(n2)CCOC3)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000019292437 207114130 /nfs/dbraw/zinc/11/41/30/207114130.db2.gz JEQXZESSROSFBC-LBPRGKRZSA-N 0 0 380.470 0.069 40 0 GCABRN C[C@@H](NC(=O)[C@H]1CCS(=O)(=O)C1)c1cc(=O)[nH]c(N2CCC(C)CC2)n1 ZINC000019496993 207125807 /nfs/dbraw/zinc/12/58/07/207125807.db2.gz KRVHYVRLFMFMQY-OLZOCXBDSA-N 0 0 382.486 0.618 40 0 GCABRN Cc1sc2ncn3c(=O)n(CC(=O)N4CCNC(=O)C4(C)C)nc3c2c1C ZINC000019561693 207135223 /nfs/dbraw/zinc/13/52/23/207135223.db2.gz NEVHLUVDQMQMGS-UHFFFAOYSA-N 0 0 388.453 0.460 40 0 GCABRN CN1C[C@@H](C(=O)N2CCC(C(=O)c3ccc4c(c3)NC(=O)CO4)CC2)CC1=O ZINC000019587165 207139268 /nfs/dbraw/zinc/13/92/68/207139268.db2.gz HEHNOVVWUOYVQZ-AWEZNQCLSA-N 0 0 385.420 0.917 40 0 GCABRN Cc1c(S(=O)(=O)NCc2cc(=O)[nH]c(N3CCC(C)CC3)n2)cnn1C ZINC000019553993 207132533 /nfs/dbraw/zinc/13/25/33/207132533.db2.gz OVRAOOKCBSVGEO-UHFFFAOYSA-N 0 0 380.474 0.527 40 0 GCABRN C[C@@H](C(=O)NCCc1nc(-c2ccccc2)ncc1C(N)=O)N1CCCC1=O ZINC000019697267 207149478 /nfs/dbraw/zinc/14/94/78/207149478.db2.gz BCBKAMABOULARZ-ZDUSSCGKSA-N 0 0 381.436 0.912 40 0 GCABRN CC(C)N1C[C@@H](C(=O)NCCNC2=NS(=O)(=O)c3ccccc32)CC1=O ZINC000019659364 207145461 /nfs/dbraw/zinc/14/54/61/207145461.db2.gz RVHGCQBKSQWSQA-LBPRGKRZSA-N 0 0 378.454 0.098 40 0 GCABRN Cn1c2ccc(NC(=O)CN3CCN(C4CCCC4)C(=O)C3)cc2n(C)c1=O ZINC000019659123 207145630 /nfs/dbraw/zinc/14/56/30/207145630.db2.gz OKJRQYGOLJNPKH-UHFFFAOYSA-N 0 0 385.468 0.902 40 0 GCABRN CNc1ncc(C(=O)N2CCN(S(=O)(=O)c3ccc(OC)cc3)CC2)cn1 ZINC000019666024 207146770 /nfs/dbraw/zinc/14/67/70/207146770.db2.gz CMUOOSFUCYCVOT-UHFFFAOYSA-N 0 0 391.453 0.674 40 0 GCABRN Cc1ccc(CS(=O)(=O)N2CCC(C(=O)N3CCN(C=O)CC3)CC2)cc1 ZINC000019867925 207168329 /nfs/dbraw/zinc/16/83/29/207168329.db2.gz GPTMLAPLNRGESB-UHFFFAOYSA-N 0 0 393.509 0.837 40 0 GCABRN C[C@@H](O)[C@H]1C(=O)N2C(C(=O)OC[C@@H]3OC(=O)O[C@H]3C)=C([C@H]3CCCO3)S[C@H]12 ZINC000026892083 207320436 /nfs/dbraw/zinc/32/04/36/207320436.db2.gz MVHHCXACTDXCAC-SSMDAZARSA-N 0 0 399.421 0.756 40 0 GCABRN CNC(=O)N1C[C@H]2C[C@H]3[C@@](CN(Cc4cccc(OC)c4)S3(=O)=O)(C1)O2 ZINC000096145952 208273182 /nfs/dbraw/zinc/27/31/82/208273182.db2.gz ASOYMNUURZOAAG-VYDXJSESSA-N 0 0 381.454 0.392 40 0 GCABRN COc1ccc(CC(=O)N2CCC3(CC2)O[C@H](C(N)=O)Cn2ccnc23)cc1 ZINC000096144776 208273331 /nfs/dbraw/zinc/27/33/31/208273331.db2.gz TYPXAKYTDDJBRI-INIZCTEOSA-N 0 0 384.436 0.836 40 0 GCABRN COCCN1[C@H]2CCN(C(=O)COC)CC[C@@H]2Oc2ccccc2S1(=O)=O ZINC000096145797 208273966 /nfs/dbraw/zinc/27/39/66/208273966.db2.gz XAEMGGZUXPZSHZ-GJZGRUSLSA-N 0 0 398.481 0.722 40 0 GCABRN CN(C)C(=O)CN1CCC2(CC1)COc1ccccc1S(=O)(=O)N(C)C2 ZINC000096145100 208274274 /nfs/dbraw/zinc/27/42/74/208274274.db2.gz HMFSVEBRUQBQMY-UHFFFAOYSA-N 0 0 381.498 0.870 40 0 GCABRN CC(C)NC(=O)N1CCN(C(=O)c2cccn2C)C[C@]2(CC(=O)N(C)C2)C1 ZINC000096036106 208253559 /nfs/dbraw/zinc/25/35/59/208253559.db2.gz VBIKOGVZWNEOJP-LJQANCHMSA-N 0 0 375.473 0.749 40 0 GCABRN CC(C)CNC(=O)[C@@H]1Cn2ccnc2C2(CCN(S(=O)(=O)C3CC3)CC2)O1 ZINC000096036805 208254934 /nfs/dbraw/zinc/25/49/34/208254934.db2.gz GVPRRBYIENACTK-HNNXBMFYSA-N 0 0 396.513 0.837 40 0 GCABRN CC(C)CNC(=O)[C@@H]1Cn2ccnc2C2(CCN(C(=O)c3cnccn3)CC2)O1 ZINC000096036793 208255118 /nfs/dbraw/zinc/25/51/18/208255118.db2.gz JVXZCCBRKGAFHA-INIZCTEOSA-N 0 0 398.467 0.976 40 0 GCABRN CC(C)CNC(=O)[C@H]1Cn2ccnc2C2(CCN(C(=O)c3cnccn3)CC2)O1 ZINC000096036794 208256235 /nfs/dbraw/zinc/25/62/35/208256235.db2.gz JVXZCCBRKGAFHA-MRXNPFEDSA-N 0 0 398.467 0.976 40 0 GCABRN CC(=O)N1CC(=O)N(c2cnn(C)c2)C[C@@]12CCN(C(=O)c1cscn1)C2 ZINC000096050433 208256826 /nfs/dbraw/zinc/25/68/26/208256826.db2.gz CDZWHOFQEGGGDA-KRWDZBQOSA-N 0 0 388.453 0.357 40 0 GCABRN CN1C(=O)[C@H]2CN(c3ncccn3)C[C@H]2C12CCN(C(=O)c1ccno1)CC2 ZINC000096091136 208263368 /nfs/dbraw/zinc/26/33/68/208263368.db2.gz BACWOHZVGZXZBE-UONOGXRCSA-N 0 0 382.424 0.664 40 0 GCABRN CC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)C[C@]2(CNC(=O)C2)C1 ZINC000096143292 208271024 /nfs/dbraw/zinc/27/10/24/208271024.db2.gz FZWLJMNPDRDURP-MRXNPFEDSA-N 0 0 385.873 0.699 40 0 GCABRN CC(C)NC(=O)[C@H]1Cn2ccnc2C2(CCN(C(=O)N3CCOCC3)CC2)O1 ZINC000096243682 208293355 /nfs/dbraw/zinc/29/33/55/208293355.db2.gz TVXPAFIDMITGGZ-OAHLLOKOSA-N 0 0 391.472 0.550 40 0 GCABRN O=C(NCC1CC1)[C@@H]1Cn2ccnc2C2(CCN(C(=O)[C@H]3CCOC3)CC2)O1 ZINC000096243628 208293619 /nfs/dbraw/zinc/29/36/19/208293619.db2.gz BYKCFCQIORGIMW-HOTGVXAUSA-N 0 0 388.468 0.662 40 0 GCABRN CC(C)CS(=O)(=O)N1C[C@@H]2c3nc(N(C)C)ncc3CS(=O)(=O)[C@@H]2C1 ZINC000096251921 208296021 /nfs/dbraw/zinc/29/60/21/208296021.db2.gz FHWQSZPYZZERRK-QWHCGFSZSA-N 0 0 388.515 0.225 40 0 GCABRN CNC(=O)[C@@H]1COC2(CN(C(=O)c3cn4cc(Cl)ccc4n3)C2)CN1C ZINC000306135785 209104058 /nfs/dbraw/zinc/10/40/58/209104058.db2.gz PASJJBUJRJLKBW-ZDUSSCGKSA-N 0 0 377.832 0.259 40 0 GCABRN NC(=O)C(=O)N1CCN2C(=O)c3cc(-c4ccsc4)ccc3NC(=O)[C@H]2C1 ZINC000004235875 208538586 /nfs/dbraw/zinc/53/85/86/208538586.db2.gz GWRFZAKFEHQSHA-CQSZACIVSA-N 0 0 384.417 0.506 40 0 biogenic,in-vitro GCABRN COCCN1C[C@@]2(F)CN(C(=O)c3cnc(SC)nc3C)C[C@@]2(F)C1=O ZINC000306133325 209102113 /nfs/dbraw/zinc/10/21/13/209102113.db2.gz MILLJAOMLDSHHZ-HZPDHXFCSA-N 0 0 386.424 0.868 40 0 GCABRN CN(C)C(=O)N1CCC2(CC1)c1nnc(C(=O)NC3CCC3)n1CCN2C ZINC000306134518 209101973 /nfs/dbraw/zinc/10/19/73/209101973.db2.gz NPVJZBOLJFMEFZ-UHFFFAOYSA-N 0 0 375.477 0.479 40 0 GCABRN CCCNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(C)S(C)(=O)=O ZINC000222967472 208888599 /nfs/dbraw/zinc/88/85/99/208888599.db2.gz RUWJUNBDPBGMOZ-AWEZNQCLSA-N 0 0 399.513 0.830 40 0 GCABRN O=c1nc(NCC23CC4CC(CC(C4)C2)C3)ccn1[C@@H]1O[C@@H](CO)[C@@H](O)[C@H]1O ZINC000005496573 220876227 /nfs/dbraw/zinc/87/62/27/220876227.db2.gz XFJOBTJBGUCADD-GIRQSZDMSA-N 0 0 391.468 0.483 40 0 GCABRN OC[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)C(OCc1ccccc1)OCc1ccccc1 ZINC000005699611 220892208 /nfs/dbraw/zinc/89/22/08/220892208.db2.gz YMTLBGVCGZMOLY-YRXWBPOGSA-N 0 0 378.421 0.182 40 0 GCABRN CN(C)c1cc(N2CC3(C2)OCC[C@H]3COCC(=O)N2CCCC2)ncn1 ZINC000248069222 209029135 /nfs/dbraw/zinc/02/91/35/209029135.db2.gz AKZGKWNIBHUXOV-HNNXBMFYSA-N 0 0 375.473 0.777 40 0 GCABRN CNC(=O)[C@@H]1COC2(CN(S(=O)(=O)c3ccccc3)C2)CN1CC1CC1 ZINC000247978502 209029964 /nfs/dbraw/zinc/02/99/64/209029964.db2.gz WTPLFZQJXQHJTM-INIZCTEOSA-N 0 0 379.482 0.287 40 0 GCABRN CNC(=O)[C@H]1CN(C(=O)Cn2nc(C(F)(F)F)cc2C)CCN1C(C)C ZINC000257199860 209053113 /nfs/dbraw/zinc/05/31/13/209053113.db2.gz ABBPLIMIDYXVFS-GFCCVEGCSA-N 0 0 375.395 0.878 40 0 GCABRN CN1CCN(C(=O)c2c[nH]c(=O)[nH]2)C[C@@H]1C(=O)NCc1ccc2c(c1)CCCO2 ZINC000257209799 209055311 /nfs/dbraw/zinc/05/53/11/209055311.db2.gz BRXSAGOTXHTPLS-MRXNPFEDSA-N 0 0 399.451 0.513 40 0 GCABRN NC(=O)C[C@H]1CN(C(=O)CN2CCOCC2)CC[C@@H]1Oc1ccc(F)cc1 ZINC000257222670 209058198 /nfs/dbraw/zinc/05/81/98/209058198.db2.gz DUGLCZYMYPKROM-YOEHRIQHSA-N 0 0 379.432 0.629 40 0 GCABRN Cc1nonc1CNC(=O)[C@H]1CN(C(=O)Cn2ccc3ccccc32)CCN1C ZINC000257266589 209064290 /nfs/dbraw/zinc/06/42/90/209064290.db2.gz MDQMRYORSIWRPR-GOSISDBHSA-N 0 0 396.451 0.792 40 0 GCABRN CC(=O)Nc1ccc(S(=O)(=O)NN=c2nc(N(C)C)nc(N(C)C)[nH]2)cc1 ZINC000008615723 221046824 /nfs/dbraw/zinc/04/68/24/221046824.db2.gz JHYUQGAWTFLXCY-UHFFFAOYSA-N 0 0 394.461 0.267 40 0 GCABRN CS(=O)(=O)c1cncnc1[C@@H]1CCCN(CC(=O)NCc2ccco2)C1 ZINC000012154664 221160842 /nfs/dbraw/zinc/16/08/42/221160842.db2.gz YRIHPWBVMAQFLJ-CYBMUJFWSA-N 0 0 378.454 0.969 40 0 GCABRN O=c1[nH]c(N2CCCC2)nc2c1CN(Cc1nnnn1Cc1ccco1)CC2 ZINC000012113745 221152028 /nfs/dbraw/zinc/15/20/28/221152028.db2.gz BXQIWQASBZCNFZ-UHFFFAOYSA-N 0 0 382.428 0.556 40 0 GCABRN Cc1nn(C)cc1[C@@H]1C[C@H](C(=O)NCc2cccs2)N(C)S(=O)(=O)N1 ZINC000012131452 221157507 /nfs/dbraw/zinc/15/75/07/221157507.db2.gz UKMFUUHRFLSSCR-UONOGXRCSA-N 0 0 383.499 0.686 40 0 GCABRN C[C@H](C(=O)NCCn1nnn(-c2ccccc2)c1=O)n1nc2ccccc2n1 ZINC000012145996 221158967 /nfs/dbraw/zinc/15/89/67/221158967.db2.gz RGYKLBRYZAJCIV-CYBMUJFWSA-N 0 0 378.396 0.551 40 0 GCABRN C[C@@H](Cn1nnn(-c2ccco2)c1=O)NC(=O)c1ccc2c(c1)n(C)c(=O)n2C ZINC000012145960 221159096 /nfs/dbraw/zinc/15/90/96/221159096.db2.gz IVGFZRXMMOPTRM-NSHDSACASA-N 0 0 397.395 0.031 40 0 GCABRN COC(=O)[C@H]1CN(C(=O)CC[C@@H]2NC(=O)NC2=O)C[C@@H]1c1ccc(F)cc1 ZINC000012157184 221160192 /nfs/dbraw/zinc/16/01/92/221160192.db2.gz OIAUAGOGXXMFCT-RDBSUJKOSA-N 0 0 377.372 0.529 40 0 GCABRN Cc1nc2c(nnn2C2CCN(C(=O)Cn3nnc4ccccc43)CC2)c(=O)[nH]1 ZINC000012336939 221182286 /nfs/dbraw/zinc/18/22/86/221182286.db2.gz PXGYPUCBSSPSNQ-UHFFFAOYSA-N 0 0 393.411 0.844 40 0 GCABRN O=C(CCN1C(=O)[C@@H]2[C@@H]3CC[C@@H](C3)[C@@H]2C1=O)N1CCn2c(nnc2C2CC2)C1 ZINC000012158590 221162000 /nfs/dbraw/zinc/16/20/00/221162000.db2.gz RSENDLJUDZWZDY-AZQPONJRSA-N 0 0 383.452 0.919 40 0 GCABRN CC(C)C(=O)N1CCC(NS(=O)(=O)c2ccc3c(c2)NC(=O)CO3)CC1 ZINC000012187621 221165703 /nfs/dbraw/zinc/16/57/03/221165703.db2.gz YLNWTEOUGIXJGP-UHFFFAOYSA-N 0 0 381.454 0.943 40 0 GCABRN CCN1CCN(C(=O)CN(C)S(=O)(=O)c2cc(OC)ccc2OC)CC1 ZINC000016681491 221368515 /nfs/dbraw/zinc/36/85/15/221368515.db2.gz ILDWYEXMLNHODZ-UHFFFAOYSA-N 0 0 385.486 0.488 40 0 GCABRN CC(=O)N1CCc2nc([C@H]3CCCCN3C(=O)[C@H]3CC(=O)N(C)C3)ncc2C1 ZINC000019018156 221393868 /nfs/dbraw/zinc/39/38/68/221393868.db2.gz ZNQMXBUWYGICHQ-WMLDXEAASA-N 0 0 385.468 0.913 40 0 GCABRN O=C(C1CC1)N1CCc2c(=O)[nH]c([C@@H]3CCN(C(=O)[C@@H]4CCCO4)C3)nc2C1 ZINC000019014482 221394216 /nfs/dbraw/zinc/39/42/16/221394216.db2.gz FZYOPWFPPFIVCC-CJNGLKHVSA-N 0 0 386.452 0.972 40 0 GCABRN Cc1cc(N2CCc3c(=O)[nH]c(N4C[C@@H](C)O[C@@H](C)C4)nc3C2)n2ncnc2n1 ZINC000019117413 221398227 /nfs/dbraw/zinc/39/82/27/221398227.db2.gz DLSBAQHRUUMDKN-BETUJISGSA-N 0 0 396.455 0.692 40 0 GCABRN CCN1C[C@H](C(=O)N2CCc3nc(C4CCN(C(C)=O)CC4)ncc3C2)CC1=O ZINC000019526970 221420974 /nfs/dbraw/zinc/42/09/74/221420974.db2.gz CCLTVQUARJXCRO-MRXNPFEDSA-N 0 0 399.495 0.956 40 0 GCABRN CNc1nc([C@H]2CCCCN2S(=O)(=O)N(C)C)nc2c1CCN(C(C)=O)C2 ZINC000019708462 221443077 /nfs/dbraw/zinc/44/30/77/221443077.db2.gz UXVWCLSLVBESAN-OAHLLOKOSA-N 0 0 396.517 0.756 40 0 GCABRN CS(=O)(=O)NCC(=O)N1CCC(c2ccc(C(=O)NCC3CC3)cn2)CC1 ZINC000019707337 221444030 /nfs/dbraw/zinc/44/40/30/221444030.db2.gz BDIUUGAMOSOEAR-UHFFFAOYSA-N 0 0 394.497 0.477 40 0 GCABRN O=C(Cn1cccn1)N1CCO[C@@H](C(=O)N2CCN(c3ccccc3)CC2)C1 ZINC000019747338 221450965 /nfs/dbraw/zinc/45/09/65/221450965.db2.gz YEYYNTWUPSMKOS-GOSISDBHSA-N 0 0 383.452 0.459 40 0 GCABRN CC(C)(C)OC(=O)N[C@@H]1C[C@@H](O)CN(C(=O)c2ccn(C(F)F)n2)C[C@H]1O ZINC000257293684 209067993 /nfs/dbraw/zinc/06/79/93/209067993.db2.gz QQRVKCHEVCAOFC-YUSALJHKSA-N 0 0 390.387 0.739 40 0 GCABRN Cc1ccc(F)cc1NC(=O)CN1CC[C@@]2(CCCN2S(C)(=O)=O)[C@@H](O)C1 ZINC000257289159 209068242 /nfs/dbraw/zinc/06/82/42/209068242.db2.gz PXGGUEBMOKSFKN-WMZOPIPTSA-N 0 0 399.488 0.933 40 0 GCABRN CC(=O)Nc1ccc(CN2CCOC[C@]3(Cc4c(nc(N)nc4N)O3)C2)cc1 ZINC000257286669 209068406 /nfs/dbraw/zinc/06/84/06/209068406.db2.gz PMMAJUGXYYYYEH-IBGZPJMESA-N 0 0 384.440 0.806 40 0 GCABRN COc1ccc(C)cc1S(=O)(=O)N[C@@H](C)C(=O)NCCN1CCOCC1 ZINC000408588713 533406074 /nfs/dbraw/zinc/40/60/74/533406074.db2.gz DROZNYXENSABFO-AWEZNQCLSA-N 0 0 385.486 0.119 40 0 GCABRN O=C1CO[C@@]2(CN1c1ccc(F)cc1)COCCN(S(=O)(=O)C1CC1)C2 ZINC000096051325 136183495 /nfs/dbraw/zinc/18/34/95/136183495.db2.gz SNVCFVGVJLOPKN-KRWDZBQOSA-N 0 0 384.429 0.752 40 0 GCABRN O=S(=O)(C1CC1)N1CC[C@@]2(C1)COCc1cnc(N3CCOCC3)nc12 ZINC000096244202 136185680 /nfs/dbraw/zinc/18/56/80/136185680.db2.gz PPGCJNSOAMJHFZ-QGZVFWFLSA-N 0 0 380.470 0.279 40 0 GCABRN COc1ccc(S(=O)(=O)N2C[C@@H]3[C@H](C2)OCCN3c2ncc(F)cn2)cc1 ZINC000096248855 136185794 /nfs/dbraw/zinc/18/57/94/136185794.db2.gz XHIPSUPCCMPYIP-CVEARBPZSA-N 0 0 394.428 0.903 40 0 GCABRN Cc1nc(N2CCOCC2)nc2c1COC[C@@]21CCN(C(=O)c2ccno2)C1 ZINC000096244571 136185804 /nfs/dbraw/zinc/18/58/04/136185804.db2.gz YKANEMRBYLJVQE-IBGZPJMESA-N 0 0 385.424 0.924 40 0 GCABRN NS(=O)(=O)c1ccc(S(=O)(=O)N2CCN(c3ccccc3F)CC2)cc1 ZINC000000922786 136193004 /nfs/dbraw/zinc/19/30/04/136193004.db2.gz OBHAIMMCHJSVSR-UHFFFAOYSA-N 0 0 399.469 0.984 40 0 GCABRN Cc1cc(S(=O)(=O)N2CCN(c3ncccn3)CC2)ccc1-n1cnnn1 ZINC000001352249 136193144 /nfs/dbraw/zinc/19/31/44/136193144.db2.gz KNYDHZXZLJFTPG-UHFFFAOYSA-N 0 0 386.441 0.272 40 0 GCABRN CCS(=O)(=O)N1C[C@@H](C(=O)NCCCN2CCOCC2)Oc2ccccc21 ZINC000218787670 136203765 /nfs/dbraw/zinc/20/37/65/136203765.db2.gz YLBBBUXQYCFUCB-KRWDZBQOSA-N 0 0 397.497 0.442 40 0 GCABRN Cc1ccc(CCNC(=O)[C@H]2CN(C(=O)Cc3nonc3C)CCN2C)s1 ZINC000257336025 209077747 /nfs/dbraw/zinc/07/77/47/209077747.db2.gz YMVDOUHPHJDUEH-MRXNPFEDSA-N 0 0 391.497 0.792 40 0 GCABRN CN(C(=O)Cn1ncc2ccccc2c1=O)[C@@H]1CC[C@@H](N2CCOCC2)[C@@H]1O ZINC000257341703 209078997 /nfs/dbraw/zinc/07/89/97/209078997.db2.gz ZLMGMRYURDXYPB-ZHALLVOQSA-N 0 0 386.452 0.079 40 0 GCABRN OC[C@@H]1O[C@H](O[C@@H]2C[C@H](c3cccc(F)c3)O[C@@H]3CCC[C@H]32)[C@@H](O)[C@H](O)[C@H]1O ZINC000257340190 209079275 /nfs/dbraw/zinc/07/92/75/209079275.db2.gz ZEZCCJDXBFRRDQ-CFSOAWKOSA-N 0 0 398.427 0.641 40 0 GCABRN CC(C)NS(=O)(=O)c1ccc(CCNC(=O)C(=O)NC[C@H]2CCCO2)cc1 ZINC000022228444 221555190 /nfs/dbraw/zinc/55/51/90/221555190.db2.gz RZZMUKYWFRHUAS-OAHLLOKOSA-N 0 0 397.497 0.327 40 0 GCABRN COc1cnc(C2(O)CCN(C(=O)Cc3csc(N)n3)CC2)c(OC)n1 ZINC000057743895 222035883 /nfs/dbraw/zinc/03/58/83/222035883.db2.gz OWHIRHZMZSSWNF-UHFFFAOYSA-N 0 0 379.442 0.585 40 0 GCABRN O=C(CN1CCCC1=O)N1CCC[C@H]([C@H]2Nc3ccccc3S(=O)(=O)N2)C1 ZINC000072342567 222231388 /nfs/dbraw/zinc/23/13/88/222231388.db2.gz AQZAXVNKFZXTFE-UGSOOPFHSA-N 0 0 392.481 0.578 40 0 GCABRN CCN(CC)C(=O)[C@@H]1Cn2ccnc2C2(CCN(S(=O)(=O)CC)CC2)O1 ZINC000096036903 222373689 /nfs/dbraw/zinc/37/36/89/222373689.db2.gz BCLCQBDANFESIO-AWEZNQCLSA-N 0 0 384.502 0.791 40 0 GCABRN CCOC(=O)[C@@]12CN(c3ncccn3)C[C@@H]1CN(S(=O)(=O)CC)CCC2 ZINC000096056070 222376394 /nfs/dbraw/zinc/37/63/94/222376394.db2.gz HBLCDQNZWPNGSE-PBHICJAKSA-N 0 0 382.486 0.908 40 0 GCABRN COC(=O)COCC(=O)N1C[C@@H](F)[C@@H](OCc2nc3cc(F)ccc3[nH]2)C1 ZINC000096111979 222381235 /nfs/dbraw/zinc/38/12/35/222381235.db2.gz KZBDWPAUZHULLC-RISCZKNCSA-N 0 0 383.351 0.957 40 0 biogenic,in-vitro GCABRN CC(=O)N1C[C@@H]2C(=O)N(C)C3(CCN(S(=O)(=O)c4ccccc4)CC3)[C@@H]2C1 ZINC000096143587 222387598 /nfs/dbraw/zinc/38/75/98/222387598.db2.gz LNSIUEIWLRQBSB-DLBZAZTESA-N 0 0 391.493 0.776 40 0 GCABRN CC(=O)N1CCC2(CC[C@@]3(C(=O)N4CCCC4)CN(S(C)(=O)=O)C[C@@H]23)CC1 ZINC000096143751 222387844 /nfs/dbraw/zinc/38/78/44/222387844.db2.gz NRPOLRKAMBVMPT-QFBILLFUSA-N 0 0 397.541 0.909 40 0 GCABRN CNC(=O)N1CC[C@@H]2Oc3ccccc3S(=O)(=O)N(CCOC)[C@H]2CC1 ZINC000096145804 222389337 /nfs/dbraw/zinc/38/93/37/222389337.db2.gz KQPCGKHXOBNKRJ-KBPBESRZSA-N 0 0 383.470 0.889 40 0 GCABRN COCCNC(=O)c1ccc2nnc([C@@H]3CN(C(=O)N(C)C)CCN3C)n2c1 ZINC000096156743 222392996 /nfs/dbraw/zinc/39/29/96/222392996.db2.gz OWFXYVLGIAVUMZ-AWEZNQCLSA-N 0 0 389.460 0.076 40 0 GCABRN CC(=O)OC(OC(C)=O)[C@@]12C=C[C@@H](O1)[C@@H]1C(=O)N(Cc3ccccn3)C(=O)[C@H]12 ZINC000409277303 527111379 /nfs/dbraw/zinc/11/13/79/527111379.db2.gz AOYCYMOMLKBUFN-QZNHQWIBSA-N 0 0 386.360 0.343 40 0 GCABRN CC(C)NS(=O)(=O)c1ccc(OCC(=O)NCCCN2CCOCC2)cc1 ZINC000408586908 527757528 /nfs/dbraw/zinc/75/75/28/527757528.db2.gz AAHWUQIBYWSHLL-UHFFFAOYSA-N 0 0 399.513 0.591 40 0 GCABRN CCN1CCN(C(=O)[C@@H](C)NS(=O)(=O)c2ccc(OC)c(OC)c2)CC1 ZINC000409393134 529130911 /nfs/dbraw/zinc/13/09/11/529130911.db2.gz VNPIVODHWZEUQS-CYBMUJFWSA-N 0 0 385.486 0.535 40 0 GCABRN CCN1CCN(C(=O)[C@H](C)NS(=O)(=O)c2ccc(OC)c(OC)c2)CC1 ZINC000409393137 529132327 /nfs/dbraw/zinc/13/23/27/529132327.db2.gz VNPIVODHWZEUQS-ZDUSSCGKSA-N 0 0 385.486 0.535 40 0 GCABRN Cn1cc(-c2ccc3c(c2)O[C@H]2CN(S(C)(=O)=O)C[C@H]2N(C)C3=O)cn1 ZINC000514289420 560032451 /nfs/dbraw/zinc/03/24/51/560032451.db2.gz KMHSMPGXTNQXHX-ZBFHGGJFSA-N 0 0 376.438 0.564 40 0 biogenic,in-vitro GCABRN CS(=O)(=O)c1ccc(OC[C@H]2C[C@@H](NCc3nccs3)[C@H](O)[C@@H]2O)cc1 ZINC000225502836 560042345 /nfs/dbraw/zinc/04/23/45/560042345.db2.gz RWJUNVMMKBMPCH-PREXVCJDSA-N 0 0 398.506 0.826 40 0 biogenic,in-vitro GCABRN CC(C)CC(=O)N[C@@H]1CCC[C@@H](C(=O)N2CCN(C)CC2)CC(=O)N(C)C1 ZINC000225405576 560043639 /nfs/dbraw/zinc/04/36/39/560043639.db2.gz WGYVJFJCHQOQAZ-IAGOWNOFSA-N 0 0 380.533 0.940 40 0 biogenic,in-vitro GCABRN O=C1[C@@H]2C[C@@H](O)CN2C2(CN(C3CCOCC3)C2)C(=O)N1Cc1ccccc1 ZINC000225382137 560044125 /nfs/dbraw/zinc/04/41/25/560044125.db2.gz QVHKGRKUIKMYAV-MSOLQXFVSA-N 0 0 385.464 0.224 40 0 biogenic,in-vitro GCABRN CC(=O)N[C@H]1CO[C@H]2[C@@H]1OC[C@@H]2n1nnnc1Oc1ccc(-n2ccnc2)cc1 ZINC000004147835 560197205 /nfs/dbraw/zinc/19/72/05/560197205.db2.gz OQUMIALTZOFJNH-MWDXBVQZSA-N 0 0 397.395 0.495 40 0 biogenic,in-vitro GCABRN CN(CCc1ccccn1)C(=O)[C@@H]1CN(C(=O)c2ccc(=O)n(C)c2)CCO1 ZINC000019747368 570214005 /nfs/dbraw/zinc/21/40/05/570214005.db2.gz SYKVFCLKVSDLJV-KRWDZBQOSA-N 0 0 384.436 0.322 40 0 GCABRN CN(C)S(=O)(=O)N1CCC2(CC1)C(=O)N(C)CCN2Cc1ccccc1 ZINC000096230330 570221696 /nfs/dbraw/zinc/22/16/96/570221696.db2.gz WQMWCEWWQHJTAS-UHFFFAOYSA-N 0 0 380.514 0.602 40 0 GCABRN CNC(=O)c1cc2c(nc1N(C)C)CCN(S(=O)(=O)c1cccnc1)CC2 ZINC000096260316 570225482 /nfs/dbraw/zinc/22/54/82/570225482.db2.gz DDOYUKVPLZVEDO-UHFFFAOYSA-N 0 0 389.481 0.692 40 0 GCABRN O=CN1CCN(C(=O)C2CCN(S(=O)(=O)Cc3ccc(F)cc3)CC2)CC1 ZINC000019868638 570226603 /nfs/dbraw/zinc/22/66/03/570226603.db2.gz BVNJXHUJECGXNA-UHFFFAOYSA-N 0 0 397.472 0.668 40 0 GCABRN O=C(CCc1ccc(S(=O)(=O)NC2CC2)cc1)NCCCN1CCOCC1 ZINC000019930762 570230911 /nfs/dbraw/zinc/23/09/11/570230911.db2.gz FXOZOIPMTVYHNA-UHFFFAOYSA-N 0 0 395.525 0.898 40 0 GCABRN CN(C)S(=O)(=O)N(CC(=O)N1CCC(C(N)=O)CC1)c1ccc(F)cc1 ZINC000020245243 570249862 /nfs/dbraw/zinc/24/98/62/570249862.db2.gz YFPGTAWYUDXZIM-UHFFFAOYSA-N 0 0 386.449 0.162 40 0 GCABRN CN(Cc1ccc(/C=C/C(=O)NCCCN2CCOCC2)o1)S(C)(=O)=O ZINC000020450105 570256388 /nfs/dbraw/zinc/25/63/88/570256388.db2.gz CNRHDAWMNLJCBW-VOTSOKGWSA-N 0 0 385.486 0.523 40 0 GCABRN CO[C@@H]1CCN(C(=O)/C=C/CN2CCOCC2)C[C@H]1CC(=O)N1CCCC1 ZINC000585292029 570261153 /nfs/dbraw/zinc/26/11/53/570261153.db2.gz VRVPKGIIPNQSPL-UBZMYNMCSA-N 0 0 379.501 0.751 40 0 GCABRN CN1CCN(N2CN(CCN3CCOCC3)Cn3c4ccccc4nc32)CC1 ZINC000020637223 570273846 /nfs/dbraw/zinc/27/38/46/570273846.db2.gz DCRHSCQALMWGTO-UHFFFAOYSA-N 0 0 385.516 0.568 40 0 GCABRN CN(C)S(=O)(=O)c1ccc(CNC(=O)C(=O)NCc2ccccn2)cc1 ZINC000020769016 570281948 /nfs/dbraw/zinc/28/19/48/570281948.db2.gz VMYAIWAKFRLTJG-UHFFFAOYSA-N 0 0 376.438 0.265 40 0 GCABRN CC(=O)N1CCN(S(=O)(=O)Cc2ccccc2)C[C@]2(CC(=O)N(C)C2)C1 ZINC000105040393 570304325 /nfs/dbraw/zinc/30/43/25/570304325.db2.gz AUMWSFVHQWXXIP-SFHVURJKSA-N 0 0 379.482 0.529 40 0 GCABRN CCCCN1C(=O)[C@@H]2[C@H](C1=O)[C@@H]([C@H](C)O)N[C@@]21C(=O)Nc2ccc(F)cc21 ZINC000105354288 570304560 /nfs/dbraw/zinc/30/45/60/570304560.db2.gz QVYSYXNAPWSMPT-FMAVKZBASA-N 0 0 375.400 0.727 40 0 GCABRN CC[C@H](C)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]([C@H](C)O)N[C@@]21C(=O)Nc2ccc(F)cc21 ZINC000105352605 570304572 /nfs/dbraw/zinc/30/45/72/570304572.db2.gz IXUGXRFAPZBLMB-YPXRLJSESA-N 0 0 375.400 0.725 40 0 GCABRN O=S(=O)(c1ccc2ccccc2c1)N(C[C@@H](O)CO)[C@@H]1CCS(=O)(=O)C1 ZINC000575424207 570309832 /nfs/dbraw/zinc/30/98/32/570309832.db2.gz TXBNUMLTOLJWMH-HZPDHXFCSA-N 0 0 399.490 0.371 40 0 GCABRN CCN(c1ccc(OCC(=O)NCCN2CCOCC2)cc1)S(C)(=O)=O ZINC000023227881 570350908 /nfs/dbraw/zinc/35/09/08/570350908.db2.gz QPOQIVCHUHRGND-UHFFFAOYSA-N 0 0 385.486 0.300 40 0 GCABRN O=C(C[C@@H]1C[C@H]2O[C@H](CNC(=O)NCc3ccccc3)[C@@H](O)[C@H]2O1)NC1CC1 ZINC000604382000 570352961 /nfs/dbraw/zinc/35/29/61/570352961.db2.gz YHJHGKCEZPNPLS-SGFSRKTBSA-N 0 0 389.452 0.440 40 0 biogenic,in-vitro GCABRN O=C(C[C@@H]1C[C@H]2O[C@H](CNC(=O)Nc3ccc(F)cc3)[C@@H](O)[C@H]2O1)NC1CC1 ZINC000604381976 570353236 /nfs/dbraw/zinc/35/32/36/570353236.db2.gz XIRGVVKUYVRVHV-GRLWTPEZSA-N 0 0 393.415 0.902 40 0 biogenic,in-vitro GCABRN O=C(OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)COC(=O)c1ccccc1)c1ccccc1 ZINC000004403200 570373610 /nfs/dbraw/zinc/37/36/10/570373610.db2.gz LDFVROHMRYBVGB-XMTFNYHQSA-N 0 0 390.388 0.144 40 0 GCABRN Cc1cccc(N([C@@H](C)C(=O)NCCCN2CCOCC2)S(C)(=O)=O)c1 ZINC000220138181 570382430 /nfs/dbraw/zinc/38/24/30/570382430.db2.gz FTMPUAGYZDTZNC-INIZCTEOSA-N 0 0 383.514 0.988 40 0 GCABRN C[C@@H](C(=O)NCCCN1CCOCC1)N(c1ccccc1F)S(C)(=O)=O ZINC000220311482 570384879 /nfs/dbraw/zinc/38/48/79/570384879.db2.gz NZHSVLQIEHYEFK-AWEZNQCLSA-N 0 0 387.477 0.819 40 0 GCABRN CC(=O)OC[C@@H]1O[C@@H](n2ccc(=S)[nH]c2=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000004877481 570414811 /nfs/dbraw/zinc/41/48/11/570414811.db2.gz VOSWRYRYGCAHQU-AHLTXXRQSA-N 0 0 386.382 0.230 40 0 GCABRN CC(=O)OC[C@H]1O[C@@H](n2ccc(=S)[nH]c2=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O ZINC000004877471 570414870 /nfs/dbraw/zinc/41/48/70/570414870.db2.gz VOSWRYRYGCAHQU-VZZFWQQMSA-N 0 0 386.382 0.642 40 0 GCABRN O=C(Cn1nnc2c(cnn2-c2ccc(F)cc2)c1=O)NCc1cccnc1 ZINC000004927369 570418667 /nfs/dbraw/zinc/41/86/67/570418667.db2.gz BBCFPWOTGHOOOK-UHFFFAOYSA-N 0 0 379.355 0.828 40 0 GCABRN COC(=O)Cn1c(=O)c2c(nc3n2CCCN3c2ccccc2OC)n(C)c1=O ZINC000005084195 570428671 /nfs/dbraw/zinc/42/86/71/570428671.db2.gz OCMZWYZRIGRSNW-UHFFFAOYSA-N 0 0 399.407 0.620 40 0 GCABRN CC(=O)OC[C@@H]1O[C@@H]2O[C@@](C)(OC(C)C)O[C@H]2[C@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000005440062 570439706 /nfs/dbraw/zinc/43/97/06/570439706.db2.gz JCJBPCYHIVDESZ-URRYWWILSA-N 0 0 390.385 0.652 40 0 GCABRN C[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)[O-] ZINC000005461432 570440863 /nfs/dbraw/zinc/44/08/63/570440863.db2.gz IAJCBRQYWHEYSN-YPMHNXCESA-N 0 0 379.417 0.134 40 0 GCABRN O=C1OCCOCCOCCOCCOCCOC(=O)C1c1ccccc1 ZINC000005573150 570446887 /nfs/dbraw/zinc/44/68/87/570446887.db2.gz CUMQTPGSWVDOBC-UHFFFAOYSA-N 0 0 382.409 0.937 40 0 GCABRN CCO[C@]1(COC(C)=O)O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O ZINC000005732085 570453544 /nfs/dbraw/zinc/45/35/44/570453544.db2.gz DQHZSEKAVUOAPQ-ZJIFWQFVSA-N 0 0 376.358 0.108 40 0 GCABRN Cc1cc(=O)oc2cc(NC(=O)[C@H]3CCC(=O)N3C(=O)[C@H]3CCC(=O)N3)ccc12 ZINC000005792750 570456912 /nfs/dbraw/zinc/45/69/12/570456912.db2.gz SHGOIFDEBDGGCG-ZIAGYGMSSA-N 0 0 397.387 0.836 40 0 GCABRN CC(=O)NCCNc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccc(F)cc1 ZINC000035291103 570458796 /nfs/dbraw/zinc/45/87/96/570458796.db2.gz BYRNXPXELMLDSX-UHFFFAOYSA-N 0 0 388.403 0.169 40 0 GCABRN COC(=O)COc1ccccc1/C=C1/C(=O)N(CC(=O)OC)C(=S)N1C ZINC000008091458 570462422 /nfs/dbraw/zinc/46/24/22/570462422.db2.gz MWDXHBRWZQCQKL-WQLSENKSSA-N 0 0 378.406 0.811 40 0 GCABRN CCOC(=O)N1CCN(C(=O)CN(CCc2ccccc2)S(C)(=O)=O)CC1 ZINC000006955507 570499820 /nfs/dbraw/zinc/49/98/20/570499820.db2.gz MYYAIBLIKWKUAD-UHFFFAOYSA-N 0 0 397.497 0.791 40 0 GCABRN CNS(=O)(=O)c1ccc(CCC(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1 ZINC000027672976 570504519 /nfs/dbraw/zinc/50/45/19/570504519.db2.gz VSRVGAMWLQMHFJ-UHFFFAOYSA-N 0 0 397.478 0.813 40 0 GCABRN COC(=O)CCN(C(=O)Cc1ccc(OC)c(OC)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000032641516 570513287 /nfs/dbraw/zinc/51/32/87/570513287.db2.gz MEPJSOBOTXWFPZ-CQSZACIVSA-N 0 0 399.465 0.825 40 0 GCABRN C[C@@H](C(=O)N1CCC(C(N)=O)CC1)N(c1ccc(F)c(F)c1)S(C)(=O)=O ZINC000224568546 570518497 /nfs/dbraw/zinc/51/84/97/570518497.db2.gz KSSXFIMZGNRFNR-JTQLQIEISA-N 0 0 389.424 0.843 40 0 GCABRN C[C@@H]1C[C@@H]1C(=O)N1CC2(C1)CN(CC1CC1)[C@H](C(=O)N1CCCCO1)CO2 ZINC000575406558 570522310 /nfs/dbraw/zinc/52/23/10/570522310.db2.gz YAEROBXTXDGXNP-PVAVHDDUSA-N 0 0 377.485 0.888 40 0 GCABRN CNC(=O)[C@H]1COC2(CN(C(=O)[C@H]3Cc4ccccc4O3)C2)CN1CC1CC1 ZINC000575406232 570522405 /nfs/dbraw/zinc/52/24/05/570522405.db2.gz WEGJWUHKWSKWMX-SJLPKXTDSA-N 0 0 385.464 0.428 40 0 GCABRN O=S(=O)(c1ccc2ccccc2c1)N(C[C@H](O)CO)[C@H]1CCS(=O)(=O)C1 ZINC000575424206 570528762 /nfs/dbraw/zinc/52/87/62/570528762.db2.gz TXBNUMLTOLJWMH-HOTGVXAUSA-N 0 0 399.490 0.371 40 0 GCABRN C[C@@H]1CCC[C@H](C)N1C(=O)CSc1nc2c(c(=O)n(C)c(=O)n2C)n1C ZINC000000928653 570539282 /nfs/dbraw/zinc/53/92/82/570539282.db2.gz VKQZTYJZTDECDD-PHIMTYICSA-N 0 0 379.486 0.852 40 0 GCABRN COC(=O)[C@@H]1[C@H](c2ccccc2)[C@H](C(=O)OC)[C@](C)(O)C[C@]12NNC(=S)N2 ZINC000035323720 570552069 /nfs/dbraw/zinc/55/20/69/570552069.db2.gz JAOODCGAHPLYJW-HXHAXSGFSA-N 0 0 393.465 0.182 40 0 GCABRN O=S(=O)(c1ccc(CNC(=S)Nc2ncccn2)cc1)N1CCOCC1 ZINC000225216477 570556893 /nfs/dbraw/zinc/55/68/93/570556893.db2.gz MQVFXFCJFXYZRH-UHFFFAOYSA-N 0 0 393.494 0.984 40 0 GCABRN CC(=O)[C@@H](C)n1c(CN2C[C@H](C)O[C@@H](C)C2)nc2c1c(=O)n(C)c(=O)n2C ZINC000036390046 570564424 /nfs/dbraw/zinc/56/44/24/570564424.db2.gz JWFHZPWCTJXYPS-SDDRHHMPSA-N 0 0 377.445 0.193 40 0 GCABRN Cn1c(SCC(=O)NCCc2ccccc2)nc2c1c(=O)n(C)c(=O)n2C ZINC000001222734 570564551 /nfs/dbraw/zinc/56/45/51/570564551.db2.gz XIHVMASTFUMQFD-UHFFFAOYSA-N 0 0 387.465 0.422 40 0 GCABRN Cc1ccc(S(=O)(=O)N2CCC[C@@H]2NC(=O)NCCN2CCOCC2)cc1 ZINC000036625105 570566138 /nfs/dbraw/zinc/56/61/38/570566138.db2.gz SBKMEUWPSCBVMW-QGZVFWFLSA-N 0 0 396.513 0.737 40 0 GCABRN CCOC(=O)N1CCN(C2=[NH+][C@@H](c3ccco3)[C@H](C(=O)OC)C([O-])=N2)CC1 ZINC000010157574 570566267 /nfs/dbraw/zinc/56/62/67/570566267.db2.gz ITQCDYZUDUJRAB-STQMWFEESA-N 0 0 378.385 0.370 40 0 GCABRN CCOC(=O)[C@@H]1C([O-])=NC(N2CCN(C=O)CC2)=[NH+][C@H]1c1ccccc1OC ZINC000010157518 570566410 /nfs/dbraw/zinc/56/64/10/570566410.db2.gz PPHVVEQAOZKDNK-HOTGVXAUSA-N 0 0 388.424 0.175 40 0 GCABRN CCOc1ccc(N([C@@H](C)C(=O)N2CCN(C=O)CC2)S(C)(=O)=O)cc1 ZINC000010283617 570567427 /nfs/dbraw/zinc/56/74/27/570567427.db2.gz KPXQUSHNAPAFIV-AWEZNQCLSA-N 0 0 383.470 0.540 40 0 GCABRN COC(=O)C[C@@H]1C(=O)NCCN1Cc1cn(CC(=O)NC2CC2)c2ccccc12 ZINC000036741500 570569521 /nfs/dbraw/zinc/56/95/21/570569521.db2.gz NMYZERDHMUHLMQ-GOSISDBHSA-N 0 0 398.463 0.783 40 0 GCABRN C[C@]12N=c3s/c(=C\c4ccco4)c(=O)n3[C@H](c3ccccc3O1)[C@@H]2C(N)=O ZINC000071785116 570572957 /nfs/dbraw/zinc/57/29/57/570572957.db2.gz BWUUVSVHEFXEOT-MYQGBCMISA-N 0 0 381.413 0.764 40 0 GCABRN COc1ccc([C@@H]2C[C@H](C(=O)N3CCCC3)N(C)S(=O)(=O)N2)cc1OC ZINC000012129880 570613504 /nfs/dbraw/zinc/61/35/04/570613504.db2.gz KVCNAYWGQQQAGM-UONOGXRCSA-N 0 0 383.470 0.906 40 0 GCABRN COc1ccc(NC(=O)[C@H]2C[C@H](c3cn(C)nc3C)NS(=O)(=O)N2C)cc1 ZINC000012131375 570613532 /nfs/dbraw/zinc/61/35/32/570613532.db2.gz YKUKRFDVQPRONU-HZPDHXFCSA-N 0 0 393.469 0.955 40 0 GCABRN CCOC(=O)CNC(=O)CSc1nnc(Cn2cnc3ccccc32)n1C ZINC000004093174 570618642 /nfs/dbraw/zinc/61/86/42/570618642.db2.gz MUZDFQWSUAAIBJ-UHFFFAOYSA-N 0 0 388.453 0.985 40 0 GCABRN CCCCn1c(SCC(=O)N2CCCC2)nc2c1c(=O)n(C)c(=O)n2C ZINC000004103378 570619095 /nfs/dbraw/zinc/61/90/95/570619095.db2.gz QTJYCLWWLRQCFS-UHFFFAOYSA-N 0 0 379.486 0.948 40 0 GCABRN O=C1COc2ccc(S(=O)(=O)N3CCn4c(nnc4C4CC4)C3)cc2N1 ZINC000012187880 570621720 /nfs/dbraw/zinc/62/17/20/570621720.db2.gz HVWBNMXNHSXXCU-UHFFFAOYSA-N 0 0 375.410 0.691 40 0 GCABRN COc1ccc([C@H](CC(=O)NCCSc2nc[nH]n2)NS(C)(=O)=O)cc1 ZINC000225953288 570635907 /nfs/dbraw/zinc/63/59/07/570635907.db2.gz QGEZEPKYQNXAQE-ZDUSSCGKSA-N 0 0 399.498 0.702 40 0 GCABRN COCCN1C[C@@H](C(=O)N2CC[C@H](c3cc(=O)[nH]c(N(C)C)n3)C2)CC1=O ZINC000012367367 570647066 /nfs/dbraw/zinc/64/70/66/570647066.db2.gz XXCYVMFGKZMHGO-STQMWFEESA-N 0 0 377.445 0.059 40 0 GCABRN Cc1cc(C)n(CCC(=O)N2CC[C@@H](c3cc(=O)[nH]c(N(C)C)n3)C2)c(=O)n1 ZINC000012406455 570653942 /nfs/dbraw/zinc/65/39/42/570653942.db2.gz SMBOXSPFULIGEH-CQSZACIVSA-N 0 0 386.456 0.828 40 0 GCABRN Cc1ccccc1OC[C@@H](O)Cn1c(Cl)nc2c1c(=O)n(C)c(=O)n2C ZINC000005018869 570657568 /nfs/dbraw/zinc/65/75/68/570657568.db2.gz PIMUYWLBUPPWRW-NSHDSACASA-N 0 0 378.816 0.835 40 0 GCABRN CC(C)NC(=O)[C@@H](C)Oc1ccc(S(=O)(=O)N2CCC(C(N)=O)CC2)cc1 ZINC000005060405 570658531 /nfs/dbraw/zinc/65/85/31/570658531.db2.gz VCRBBIURGUHWFU-CYBMUJFWSA-N 0 0 397.497 0.865 40 0 GCABRN CCOC(=O)COc1ccc(NC(=O)[C@]23C[C@H]2CCN(C)S3(=O)=O)cc1 ZINC000260840495 570710082 /nfs/dbraw/zinc/71/00/82/570710082.db2.gz VTCCJXRXUHWVLG-PXAZEXFGSA-N 0 0 382.438 0.991 40 0 GCABRN O=C(NC[C@H]1CCCO1)C1=NO[C@]2(CCN(S(=O)(=O)c3cccs3)C2)C1 ZINC000247504674 570715641 /nfs/dbraw/zinc/71/56/41/570715641.db2.gz REKMWJZNLWANDN-MLGOLLRUSA-N 0 0 399.494 0.953 40 0 GCABRN COc1cc(N2CC3(C2)[C@@H](COc2ccccn2)CCS3(=O)=O)ncn1 ZINC000247867302 570716836 /nfs/dbraw/zinc/71/68/36/570716836.db2.gz BHKRTNDUZBLNGJ-CYBMUJFWSA-N 0 0 376.438 0.953 40 0 GCABRN CNC(=O)[C@H]1COC2(CN(S(=O)(=O)c3ccccc3)C2)CN1CC1CC1 ZINC000247978505 570719217 /nfs/dbraw/zinc/71/92/17/570719217.db2.gz WTPLFZQJXQHJTM-MRXNPFEDSA-N 0 0 379.482 0.287 40 0 GCABRN Cn1cccc1C(=O)N1CC2(C1)[C@H](COc1ncccn1)CCS2(=O)=O ZINC000248101843 570720989 /nfs/dbraw/zinc/72/09/89/570720989.db2.gz DYVZZMQDFXNDER-ZDUSSCGKSA-N 0 0 376.438 0.523 40 0 GCABRN CCOC(=O)[C@@H]1C(=O)Nc2c(c(=O)n(C)c(=O)n2C)[C@@H]1c1ccc(F)cc1 ZINC000004999288 570730869 /nfs/dbraw/zinc/73/08/69/570730869.db2.gz PWYPAGXBJINJHK-AAEUAGOBSA-N 0 0 375.356 0.486 40 0 GCABRN Cc1cc(C(=O)N2CC3(C2)[C@@H](COc2ncccn2)CCS3(=O)=O)no1 ZINC000253476753 570732502 /nfs/dbraw/zinc/73/25/02/570732502.db2.gz BETBKSWGKALOAF-GFCCVEGCSA-N 0 0 378.410 0.481 40 0 GCABRN OC[C@@H]1O[C@H](n2cnc3c2ncnc3NCc2ccccc2Cl)[C@@H](O)[C@@H]1O ZINC000006926910 570750907 /nfs/dbraw/zinc/75/09/07/570750907.db2.gz AIFYZXYYAFRRQV-SYEQVDHESA-N 0 0 391.815 0.703 40 0 GCABRN CNC(=O)[C@@H]1CN(C(=O)Cn2nc(C)nc2C)CCN1CCc1ccccc1 ZINC000257249509 570770007 /nfs/dbraw/zinc/77/00/07/570770007.db2.gz JIRSLUJOFQIVPQ-SFHVURJKSA-N 0 0 384.484 0.396 40 0 GCABRN [NH3+][C@H](CCC(=O)NCC1(O)CCN(c2ccnc3ccncc32)CC1)C(=O)[O-] ZINC000257262239 570771892 /nfs/dbraw/zinc/77/18/92/570771892.db2.gz LKRNWACIGPTMEY-CQSZACIVSA-N 0 0 387.440 0.269 40 0 GCABRN CNC(=O)[C@@H]1CN(C(=O)Cn2nc(C(F)(F)F)c3c2CCCC3)CCN1C ZINC000257264040 570772652 /nfs/dbraw/zinc/77/26/52/570772652.db2.gz LSQANLXWHCBDHR-ZDUSSCGKSA-N 0 0 387.406 0.669 40 0 GCABRN COCC(=O)NC[C@@]1(O)COCCN(C(=O)c2cc3cc(F)ccc3[nH]2)C1 ZINC000257314046 570780278 /nfs/dbraw/zinc/78/02/78/570780278.db2.gz UVCXJGURYRTTEX-SFHVURJKSA-N 0 0 379.388 0.273 40 0 GCABRN CC(=O)Nc1cc(CCC2CCN(C(=O)CNS(C)(=O)=O)CC2)ccn1 ZINC000257335282 570783468 /nfs/dbraw/zinc/78/34/68/570783468.db2.gz YJLRIZACYKYAJS-UHFFFAOYSA-N 0 0 382.486 0.760 40 0 GCABRN C[C@@]1(O)CCN(C(=O)Cn2cnc3ccccc32)C[C@H]1n1ccc(=O)[nH]c1=O ZINC000257334634 570783498 /nfs/dbraw/zinc/78/34/98/570783498.db2.gz YGSWBVHNNBVGFR-DNVCBOLYSA-N 0 0 383.408 0.523 40 0 GCABRN Cc1ccc(CCNC(=O)[C@@H]2CN(C(=O)Cc3nonc3C)CCN2C)s1 ZINC000257336024 570783565 /nfs/dbraw/zinc/78/35/65/570783565.db2.gz YMVDOUHPHJDUEH-INIZCTEOSA-N 0 0 391.497 0.792 40 0 GCABRN COCCN1C(=O)Cc2c1nc([C@]1(C)CCCN(S(C)(=O)=O)C1)nc2C ZINC000257342162 570784591 /nfs/dbraw/zinc/78/45/91/570784591.db2.gz ZNJGAWXTKMNDNF-QGZVFWFLSA-N 0 0 382.486 0.634 40 0 GCABRN O=C(CN1CSCC1=O)NCC[C@@]12CCCC[C@@H]1c1c([nH]c(=O)[nH]c1=O)O2 ZINC000257344977 570785098 /nfs/dbraw/zinc/78/50/98/570785098.db2.gz ZZKZXDNFYPYCCC-QGHHPUGFSA-N 0 0 394.453 0.716 40 0 GCABRN O=C1Nc2ccccc2N=C(c2ccccc2)/C1=C/[C@H](O)[C@H](O)[C@H](O)[C@@H](O)CO ZINC000015223755 570788165 /nfs/dbraw/zinc/78/81/65/570788165.db2.gz JWDROEPTMKFOIT-OIFGIKDZSA-N 0 0 398.415 0.122 40 0 GCABRN COc1ccc(CC(=O)NCCn2nnn(-c3cccs3)c2=O)cc1OC ZINC000072341067 570880862 /nfs/dbraw/zinc/88/08/62/570880862.db2.gz SMWBLDJYCVLIMG-UHFFFAOYSA-N 0 0 389.437 0.867 40 0 GCABRN C[C@]1(O)[C@H](N2CCN(Cc3ccccc3)CC2)O[C@](C)(CO)[C@@](C)(O)[C@@]1(C)O ZINC000257345183 570911114 /nfs/dbraw/zinc/91/11/14/570911114.db2.gz XOSLXWLHQVUTQP-ADAARDCZSA-N 0 0 394.512 0.165 40 0 GCABRN CCCS(=O)(=O)N1Cc2ccnn2[C@@H](CC(=O)NCC2CCOCC2)C1 ZINC000585095238 570921247 /nfs/dbraw/zinc/92/12/47/570921247.db2.gz LZEKBOANVDYYAZ-INIZCTEOSA-N 0 0 384.502 0.913 40 0 GCABRN COCCNC(=O)c1cn2c(n1)[C@@H](C)N(C(=O)c1ccn(CCOC)n1)CC2 ZINC000585096306 570923161 /nfs/dbraw/zinc/92/31/61/570923161.db2.gz HJZLMIXCGLBCTH-CYBMUJFWSA-N 0 0 390.444 0.319 40 0 GCABRN COCCn1ccc(C(=O)N2CCn3cc(CC(=O)N4CC=CC4)nc3[C@@H]2C)n1 ZINC000585096877 570923653 /nfs/dbraw/zinc/92/36/53/570923653.db2.gz BVEURCAMUNTFSD-HNNXBMFYSA-N 0 0 398.467 0.884 40 0 GCABRN Cn1nccc1C(=O)N1CCC[C@]2(CC(C(=O)NCc3cccnc3)=NO2)C1 ZINC000585101344 570926807 /nfs/dbraw/zinc/92/68/07/570926807.db2.gz ZOABVLRPZVMDSP-IBGZPJMESA-N 0 0 382.424 0.883 40 0 GCABRN O=C(c1cccc(O)c1)N1CC2(C1)[C@H](COc1ncccn1)CCS2(=O)=O ZINC000306126535 570936853 /nfs/dbraw/zinc/93/68/53/570936853.db2.gz DYPKJVWISVJFPB-AWEZNQCLSA-N 0 0 389.433 0.891 40 0 GCABRN Cc1noc(CC(=O)N2C[C@@H]3C[C@@H](CC(=O)NCc4cccnc4)O[C@@H]3C2)n1 ZINC000585109520 570937640 /nfs/dbraw/zinc/93/76/40/570937640.db2.gz VQLSJBPHFSJPRP-HRCADAONSA-N 0 0 385.424 0.638 40 0 GCABRN O=C(NC1CCC1)c1nnc2n1CCN1CCN(C(=O)C3(F)CCC3)C[C@H]21 ZINC000585109878 570938658 /nfs/dbraw/zinc/93/86/58/570938658.db2.gz FILQSVBDOWLAGR-CYBMUJFWSA-N 0 0 376.436 0.652 40 0 GCABRN Cn1cc(CN2CC[C@]3(C2)Cn2c(nn(C4CCCC4)c(=O)c2=O)CO3)cn1 ZINC000306129642 570938641 /nfs/dbraw/zinc/93/86/41/570938641.db2.gz IITXXIKJCQCVJT-IBGZPJMESA-N 0 0 386.456 0.429 40 0 GCABRN Cc1cc(CN2CC3(C2)[C@H](COc2ncccn2)CCS3(=O)=O)n(C)n1 ZINC000306131060 570939090 /nfs/dbraw/zinc/93/90/90/570939090.db2.gz JVKZYHRSIHTKHP-AWEZNQCLSA-N 0 0 377.470 0.587 40 0 GCABRN CCOC(=O)[C@@]12CN(c3ncccn3)C[C@@H]1CN(C(=O)C1CC(O)C1)CCC2 ZINC000585108093 570940307 /nfs/dbraw/zinc/94/03/07/570940307.db2.gz WSVBZYDHQWTJDJ-WOAIQWADSA-N 0 0 388.468 0.856 40 0 GCABRN O=C(CCc1cncnc1)N1C[C@H](NC(=O)c2cnccn2)[C@@H]2OCCC[C@@H]21 ZINC000585108483 570940310 /nfs/dbraw/zinc/94/03/10/570940310.db2.gz UVGBNIPIYYBZJD-BQFCYCMXSA-N 0 0 382.424 0.388 40 0 GCABRN O=C(C1CC1)N1CC[C@]2(C1)Cn1c(=O)c(=O)n(Cc3ccccc3)nc1CO2 ZINC000306133837 570940912 /nfs/dbraw/zinc/94/09/12/570940912.db2.gz MXQLGCVSBMOBGW-FQEVSTJZSA-N 0 0 382.420 0.365 40 0 GCABRN O=C(Cc1ccc(F)cn1)N1CC[C@H]2C[C@@H](C(=O)N3CCOCC3)O[C@H]2C1 ZINC000585109200 570941136 /nfs/dbraw/zinc/94/11/36/570941136.db2.gz ZVYVKCYWROFOBW-JQFCIGGWSA-N 0 0 377.416 0.628 40 0 GCABRN CN1CCN(c2ncc3c(n2)COC32CCN(S(=O)(=O)C3CC3)CC2)CC1 ZINC000306134301 570941425 /nfs/dbraw/zinc/94/14/25/570941425.db2.gz NILPQKFEOKKFPR-UHFFFAOYSA-N 0 0 393.513 0.542 40 0 GCABRN O=S(=O)(NCC[C@@H]1CCOC12CN(c1ccc3nncn3n1)C2)C1CC1 ZINC000306135610 570942124 /nfs/dbraw/zinc/94/21/24/570942124.db2.gz OVXHOHFUMDTGRY-GFCCVEGCSA-N 0 0 378.458 0.192 40 0 GCABRN Cn1ccc(C(=O)N2CC[C@]3(C2)CCn2ncnc2[C@@H]3NC(=O)C2CCC2)n1 ZINC000306136986 570942652 /nfs/dbraw/zinc/94/26/52/570942652.db2.gz QIGGPULQUNOJSM-HNAYVOBHSA-N 0 0 383.456 0.905 40 0 GCABRN Cn1ccc(C(=O)N2CC[C@@]3(C2)CCn2ncnc2[C@@H]3NC(=O)C2CCC2)n1 ZINC000306136987 570942684 /nfs/dbraw/zinc/94/26/84/570942684.db2.gz QIGGPULQUNOJSM-KXBFYZLASA-N 0 0 383.456 0.905 40 0 GCABRN O=C(NCC[C@H]1CN(S(=O)(=O)C2CC2)Cc2ccnn21)c1cccnc1 ZINC000585112952 570943267 /nfs/dbraw/zinc/94/32/67/570943267.db2.gz ZKQJNDSNIZSZGR-AWEZNQCLSA-N 0 0 375.454 0.947 40 0 GCABRN Cn1nccc1C(=O)N1CC[C@@]2(C1)CN(C)S(=O)(=O)c1ccccc1O2 ZINC000306139349 570944323 /nfs/dbraw/zinc/94/43/23/570944323.db2.gz SVAFWXTVDFXZKO-KRWDZBQOSA-N 0 0 376.438 0.718 40 0 GCABRN Cc1cnc(C(=O)N2C[C@H]3Cn4c(nn(CC5CCC5)c(=O)c4=O)[C@@H]3C2)cn1 ZINC000306141220 570945319 /nfs/dbraw/zinc/94/53/19/570945319.db2.gz VOOCXMSYWUPVKR-UONOGXRCSA-N 0 0 382.424 0.173 40 0 GCABRN COCCN1Cc2cnnn2-c2ccc(N3CCOCC3)cc2S1(=O)=O ZINC000306142213 570945845 /nfs/dbraw/zinc/94/58/45/570945845.db2.gz WTMGYNFIGGBKLP-UHFFFAOYSA-N 0 0 379.442 0.255 40 0 GCABRN O=C(C1CC1)N1CC[C@@]2(Cc3nn(Cc4ccc(F)cc4)c(=O)c(=O)n3C2)C1 ZINC000306142593 570945983 /nfs/dbraw/zinc/94/59/83/570945983.db2.gz XDYOZDHXVCSMDZ-HXUWFJFHSA-N 0 0 384.411 0.777 40 0 GCABRN COCC(=O)Nc1c(S(=O)(=O)N2CCOCC2)cnn1-c1ccccc1 ZINC000306143841 570946453 /nfs/dbraw/zinc/94/64/53/570946453.db2.gz YOAIKXASZWDSIR-UHFFFAOYSA-N 0 0 380.426 0.478 40 0 GCABRN CC(=O)N[C@@H]1[C@H](Oc2ccc3ccccc3c2)O[C@H](CO)[C@H](O)[C@H]1OC(C)=O ZINC000253476000 570950365 /nfs/dbraw/zinc/95/03/65/570950365.db2.gz FRTSLPFLUVGQPA-JAZQRGJZSA-N 0 0 389.404 0.733 40 0 GCABRN O=C(CCN1C(=O)N[C@H]2NC(=O)N[C@@H]21)N1CCC(Oc2ccccc2F)CC1 ZINC000019350120 570979107 /nfs/dbraw/zinc/97/91/07/570979107.db2.gz XIHKNPBTLGYGON-HZPDHXFCSA-N 0 0 391.403 0.576 40 0 GCABRN Cc1c(CNC(=O)[C@H]2CCCN(S(=O)(=O)c3cnn(C)c3C)C2)cnn1C ZINC000002732589 570988787 /nfs/dbraw/zinc/98/87/87/570988787.db2.gz LEXIIHRXPGMPMM-AWEZNQCLSA-N 0 0 394.501 0.488 40 0 GCABRN CC[C@H](C)C(=O)N1CC[C@H](c2nc3c(c(=O)[nH]2)CCN(S(C)(=O)=O)C3)C1 ZINC000019499777 570992118 /nfs/dbraw/zinc/99/21/18/570992118.db2.gz BGCRWMUPQJQBLW-RYUDHWBXSA-N 0 0 382.486 0.450 40 0 GCABRN CCCC(=O)N1CCC[C@@H]1c1nc2c(c(=O)[nH]1)CCN(S(=O)(=O)N(C)C)C2 ZINC000019501338 570992860 /nfs/dbraw/zinc/99/28/60/570992860.db2.gz YKIMDFXANBGTRF-CQSZACIVSA-N 0 0 397.501 0.398 40 0 GCABRN CCc1cc(CNC(=O)[C@@H]2CCCN(S(=O)(=O)c3cn(C)nc3C)C2)on1 ZINC000019522791 570995460 /nfs/dbraw/zinc/99/54/60/570995460.db2.gz NAMADSLYDQXLMI-CYBMUJFWSA-N 0 0 395.485 0.996 40 0 GCABRN O=C(CN1CCNC(=O)C1)Nc1ccc(N2CCCC2)c(C(=O)N2CCCC2)c1 ZINC000019660434 571025301 /nfs/dbraw/zinc/02/53/01/571025301.db2.gz WOQXAXUXMQLJFL-UHFFFAOYSA-N 0 0 399.495 0.893 40 0 GCABRN CNc1nc([C@@H]2CCCN(C(=O)C(C)(C)O)C2)nc2c1CN(C(C)=O)CC2 ZINC000019711440 571035650 /nfs/dbraw/zinc/03/56/50/571035650.db2.gz PPBQDSFDFLNYCX-CYBMUJFWSA-N 0 0 375.473 0.900 40 0 GCABRN Cn1c(=O)cc(C(=O)NC[C@@H](c2ccc(Cl)cc2)N2CCOCC2)[nH]c1=O ZINC000019714452 571036107 /nfs/dbraw/zinc/03/61/07/571036107.db2.gz HPZZSLIDOZVLKF-HNNXBMFYSA-N 0 0 392.843 0.530 40 0 GCABRN Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)c1cc(C)nc2c1c(=O)[nH]c(=O)n2C ZINC000019716362 571038222 /nfs/dbraw/zinc/03/82/22/571038222.db2.gz REPLMIBJOHEXAJ-SNVBAGLBSA-N 0 0 384.440 0.642 40 0 GCABRN CC[NH+](CC)CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)[O-])c(C)c2)CC1 ZINC000284904539 600738783 /nfs/dbraw/zinc/73/87/83/600738783.db2.gz ARFONJZVUVNVSR-UHFFFAOYSA-N 0 0 397.497 0.868 40 0 GCABRN CCC[C@@H](C)NC(=O)COC(=O)[C@H](C)NC1=NS(=O)(=O)c2ccccc21 ZINC000032691722 1192509949 /nfs/dbraw/zinc/50/99/49/1192509949.db2.gz AXLFJQISEBCARE-NEPJUHHUSA-N 0 0 381.454 0.962 40 0 GCABRN C[C@@H]1CC[C@@H]2C(C(=O)O[C@H]3O[C@@H](C)[C@@H](O)[C@@H](O)[C@H]3O)=C[C@]3(O)CC(C)(C)C[C@@]123 ZINC001772591805 1186781172 /nfs/dbraw/zinc/78/11/72/1186781172.db2.gz QEZOAVXNNSLPOZ-TWYYYANOSA-N 0 0 396.480 0.881 40 0 GCABRN O=C(N[C@H]1CCN2C(=O)c3ccc(Cl)cc3NC(=O)[C@H]12)N1CCOCC1 ZINC000008297832 1187913096 /nfs/dbraw/zinc/91/30/96/1187913096.db2.gz ZRYVBIHJFLIDOR-JSGCOSHPSA-N 0 0 378.816 0.917 40 0 biogenic,in-vitro GCABRN NC(=O)C[C@]1(COc2ccc(F)cc2)CN(C(=O)c2ccc(N)nc2)CCO1 ZINC000585282967 1189784970 /nfs/dbraw/zinc/78/49/70/1189784970.db2.gz KWDHMXQYZRYYHL-LJQANCHMSA-N 0 0 388.399 0.969 40 0 GCABRN COc1cc(C)c(S(=O)(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)[O-])c(C)c1C ZINC000002386634 1199319357 /nfs/dbraw/zinc/31/93/57/1199319357.db2.gz LXWXIEIEVQMHPJ-LBPRGKRZSA-N 0 0 386.474 0.615 40 0 GCABRN CCCCOC(=S)N[C@@H]1OC[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O ZINC000227028009 1199961105 /nfs/dbraw/zinc/96/11/05/1199961105.db2.gz JAMUNSUIXBIERM-BYNSBNAKSA-N 0 0 391.442 0.829 40 0 GCABRN CC[C@@H](C)NS(=O)(=O)c1ccc(OCC(=O)NCCN2CCOCC2)cc1 ZINC000408589886 529375107 /nfs/dbraw/zinc/37/51/07/529375107.db2.gz GHTFSRNILODPHG-OAHLLOKOSA-N 0 0 399.513 0.591 40 0 GCABRN COC[C@@H](C)NS(=O)(=O)c1ccc(O[C@H](C)C(=O)N2CCOCC2)cc1 ZINC000408610768 231079393 /nfs/dbraw/zinc/07/93/93/231079393.db2.gz VRVUTVLJESVTFH-ZIAGYGMSSA-N 0 0 386.470 0.626 40 0 GCABRN CN(C)S(=O)(=O)N1CCC(C(=O)Nc2ccc(N3CCOCC3)cc2)CC1 ZINC000224997010 222666419 /nfs/dbraw/zinc/66/64/19/222666419.db2.gz FQRZHRYBIZSORC-UHFFFAOYSA-N 0 0 396.513 0.980 40 0 GCABRN Cc1nn(C(C)C)cc1S(=O)(=O)NCCS(=O)(=O)N1CCCCC1 ZINC000019583321 530146721 /nfs/dbraw/zinc/14/67/21/530146721.db2.gz KZUUSDMFXXNNLH-UHFFFAOYSA-N 0 0 378.520 0.866 40 0 GCABRN O=C(CO[C@H]1CCOC2(CN(S(=O)(=O)C(F)(F)F)C2)C1)N1CCCC1 ZINC000575406643 530303960 /nfs/dbraw/zinc/30/39/60/530303960.db2.gz ZFRMGDAGZVTQFP-NSHDSACASA-N 0 0 386.392 0.708 40 0 GCABRN O=C(NC[C@H]1CO[C@@H]2CN(S(=O)(=O)C(F)(F)F)C[C@H]12)c1cccnc1 ZINC000575404221 530304074 /nfs/dbraw/zinc/30/40/74/530304074.db2.gz MBHFRHAZQUMCKB-QJPTWQEYSA-N 0 0 379.360 0.608 40 0 GCABRN O=C(NCCO)[C@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1 ZINC000009974138 530347269 /nfs/dbraw/zinc/34/72/69/530347269.db2.gz AJUGKJVZPWPOAY-NSHDSACASA-N 0 0 391.287 0.958 40 0 GCABRN CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@H](CO)O[C@@H]1OCc1ccc(Cl)cc1Cl ZINC000004906371 530447127 /nfs/dbraw/zinc/44/71/27/530447127.db2.gz CIHDSPCYFDFWRF-JARUQAPTSA-N 0 0 380.224 0.454 40 0 GCABRN CN(C)S(=O)(=O)c1ccc(OCC(=O)N2CCN(C)CC2)c(Cl)c1 ZINC000028208013 530506146 /nfs/dbraw/zinc/50/61/46/530506146.db2.gz ABAMJNMGOCLGJZ-UHFFFAOYSA-N 0 0 375.878 0.743 40 0 GCABRN CCS(=O)(=O)N1CC2(C1)[C@@H](COc1nccc(C)n1)CCS2(=O)=O ZINC000306124804 530501344 /nfs/dbraw/zinc/50/13/44/530501344.db2.gz BZWMCBRFWRSIRJ-GFCCVEGCSA-N 0 0 375.472 0.003 40 0 GCABRN CNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(C)S(C)(=O)=O ZINC000222815317 530502695 /nfs/dbraw/zinc/50/26/95/530502695.db2.gz ITPICNXQGQEFLU-NSHDSACASA-N 0 0 375.878 0.695 40 0 GCABRN CC(C)c1ccc(S(=O)(=O)N([C@@H]2CS(=O)(=O)C[C@@H]2O)N(C)C)cc1 ZINC000575421054 530688003 /nfs/dbraw/zinc/68/80/03/530688003.db2.gz MRFUOPRJMJBGQR-CABCVRRESA-N 0 0 376.500 0.435 40 0 GCABRN O=S(=O)(c1ccccc1)N(c1cccc(O)c1)[C@@H]1CS(=O)(=O)C[C@@H]1O ZINC000575423749 530688362 /nfs/dbraw/zinc/68/83/62/530688362.db2.gz QCHTYNOVFKFDHI-CVEARBPZSA-N 0 0 383.447 0.745 40 0 GCABRN Cc1cc(C)c(S(=O)(=O)N([C@@H]2CS(=O)(=O)C[C@H]2O)N(C)C)cc1C ZINC000575422025 530688705 /nfs/dbraw/zinc/68/87/05/530688705.db2.gz LTJPJKXMZORMJI-ZIAGYGMSSA-N 0 0 376.500 0.237 40 0 GCABRN O=S1(=O)C[C@H]2[C@@H](C1)N[C@H]1CS(=O)(=O)C[C@H]1N2Cc1ccccc1Cl ZINC000575421543 530688812 /nfs/dbraw/zinc/68/88/12/530688812.db2.gz IYSTZUSYCFDMRV-PYHGIMPFSA-N 0 0 390.914 0.076 40 0 GCABRN Cc1ccc(Cl)cc1S(=O)(=O)N(C[C@@H](O)CO)[C@H]1CCS(=O)(=O)C1 ZINC000575426227 530689755 /nfs/dbraw/zinc/68/97/55/530689755.db2.gz OZWLJLYBTLNCPL-QWHCGFSZSA-N 0 0 397.902 0.179 40 0 GCABRN O=C([O-])c1ccc(Cl)c(S(=O)(=O)NCC[NH2+][C@@H]2CCS(=O)(=O)C2)c1 ZINC000575426353 530689759 /nfs/dbraw/zinc/68/97/59/530689759.db2.gz RTYZQWOMYWFHSL-SNVBAGLBSA-N 0 0 396.874 0.093 40 0 GCABRN CCS(=O)(=O)CCN1Cc2ccnn2[C@H](CCNS(=O)(=O)CC)C1 ZINC000253490294 222743085 /nfs/dbraw/zinc/74/30/85/222743085.db2.gz IBNOKLQJSBFEED-CQSZACIVSA-N 0 0 378.520 0.004 40 0 GCABRN C[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)NCCCN1CCOCC1 ZINC000068323228 530778169 /nfs/dbraw/zinc/77/81/69/530778169.db2.gz NZNWTZYNFULIEH-CYBMUJFWSA-N 0 0 389.905 0.845 40 0 GCABRN C[C@@H](NC(=O)[C@H]1CCCN(S(C)(=O)=O)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000044402090 530778547 /nfs/dbraw/zinc/77/85/47/530778547.db2.gz OJZFBNOAGDMBPR-OCCSQVGLSA-N 0 0 388.511 0.939 40 0 GCABRN COc1ccc(S(=O)(=O)N[C@]2(C)CCS(=O)(=O)C2)cc1NC(C)=O ZINC000007686208 530833789 /nfs/dbraw/zinc/83/37/89/530833789.db2.gz YAHRTTPSGYGJEN-CQSZACIVSA-N 0 0 376.456 0.509 40 0 GCABRN CCn1nnc(NC(=S)NC(=O)c2c(F)c(F)c(OC)c(F)c2F)n1 ZINC000408628572 531091421 /nfs/dbraw/zinc/09/14/21/531091421.db2.gz UZBJVLFNCDBTNA-UHFFFAOYSA-N 0 0 378.311 1.385 40 0 GCABRN OC[C@@H]1O[C@H](O[C@@H]2C[C@H](c3ccccc3)O[C@@H]3CCC[C@H]32)[C@@H](O)[C@H](O)[C@H]1O ZINC000257239878 222762342 /nfs/dbraw/zinc/76/23/42/222762342.db2.gz HREUTUWILNMRSM-CFSOAWKOSA-N 0 0 380.437 0.502 40 0 GCABRN CC(C)(C)OC(=O)N[C@@H]1C[C@@H](O)CN(C(=O)CCn2ccccc2=O)C[C@H]1O ZINC000257303689 222773448 /nfs/dbraw/zinc/77/34/48/222773448.db2.gz SIHBDORQCCFIDX-RBSFLKMASA-N 0 0 395.456 0.086 40 0 GCABRN CNC(=O)[C@H]1CN(C(=O)CCS(=O)(=O)c2ccc(F)cc2)CCN1C(C)C ZINC000257320661 222776370 /nfs/dbraw/zinc/77/63/70/222776370.db2.gz VXUMAVFYNAXIBZ-MRXNPFEDSA-N 0 0 399.488 0.657 40 0 GCABRN O=C([C@H]1C[N@H+]2CC[C@H]1C[C@@H]2Cn1cc(C2(O)CCCC2)nn1)N1CCOCC1 ZINC000008299856 291102863 /nfs/dbraw/zinc/10/28/63/291102863.db2.gz LAZWYZSFYZRHSF-BBWFWOEESA-N 0 0 389.500 0.609 40 0 biogenic,in-vitro GCABRN CSc1ncnc2c1c(Br)cn2[C@H]1O[C@@H](CO)[C@@H](O)[C@@H]1O ZINC000001704313 212254289 /nfs/dbraw/zinc/25/42/89/212254289.db2.gz IRFZERSLBNKSOA-CIPNSKCISA-N 0 0 376.232 0.527 40 0 GCABRN Cn1c2ccc(S(=O)(=O)N(CC(N)=O)c3ccc(F)cc3)cc2n(C)c1=O ZINC000027914472 212108765 /nfs/dbraw/zinc/10/87/65/212108765.db2.gz FVTXWELUMMNLCY-UHFFFAOYSA-N 0 0 392.412 0.697 40 0 GCABRN COC(=O)[C@H]1CC(=O)N(c2ccc(N3CCN(S(C)(=O)=O)CC3)cc2)C1 ZINC000045958014 206263586 /nfs/dbraw/zinc/26/35/86/206263586.db2.gz LILNRULCCZHARB-ZDUSSCGKSA-N 0 0 381.454 0.294 40 0 GCABRN COC(=O)[C@H](NC(=O)[C@H](CO)N1C(=O)c2ccccc2C1=O)c1ccccc1 ZINC000001590919 206386628 /nfs/dbraw/zinc/38/66/28/206386628.db2.gz BMAULSIJZXQEMX-JKSUJKDBSA-N 0 0 382.372 0.674 40 0 GCABRN Cc1oc(=O)oc1COC(=O)C1=C([C@H]2CCCO2)S[C@@H]2[C@@H]([C@@H](C)O)C(=O)N12 ZINC000003806644 206493805 /nfs/dbraw/zinc/49/38/05/206493805.db2.gz JQBKWZPHJOEQAO-DVPVEWDBSA-N 0 0 397.405 0.887 40 0 investigational GCABRN Nc1nc2c(ncn2[C@@H]2O[C@@H](CO)[C@@H](O)[C@H]2O)c(SCc2ccccc2)n1 ZINC000004769186 206553601 /nfs/dbraw/zinc/55/36/01/206553601.db2.gz HEWUQFYYFBVBKP-MZXFEWSRSA-N 0 0 389.437 0.312 40 0 GCABRN CO[C@@H]1O[C@H]([C@H](OC(C)=O)[C@H](C)OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000005047997 206587532 /nfs/dbraw/zinc/58/75/32/206587532.db2.gz SNCROMAUUJJJEB-BVNHISBLSA-N 0 0 376.358 0.104 40 0 GCABRN COCCNC(=O)c1nnc2n1C[C@@H]1CN(C(=O)Cc3ccccc3C)C[C@@H]1C2 ZINC000306139067 209107035 /nfs/dbraw/zinc/10/70/35/209107035.db2.gz SOLCIFKVFSTKRR-IRXDYDNUSA-N 0 0 397.479 0.836 40 0 GCABRN CC(C)[C@@]1(O)[C@@H](O)[C@]23O[C@H]2C[C@H]2C4=C(CC[C@]2(C)[C@@]32O[C@H]2[C@@H]1O)C(=O)OC4 ZINC000014823616 207029906 /nfs/dbraw/zinc/02/99/06/207029906.db2.gz DYVDZVMUDBCZSA-CIVMWXNOSA-N 0 0 378.421 0.058 40 0 GCABRN CN(CC(=O)Nc1ccc(S(N)(=O)=O)cc1)S(=O)(=O)c1ccccc1 ZINC000016188259 207074430 /nfs/dbraw/zinc/07/44/30/207074430.db2.gz NJEMNQBYOHNGBM-UHFFFAOYSA-N 0 0 383.451 0.593 40 0 GCABRN CC[C@H](C)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]([C@@H](C)O)N[C@]21C(=O)Nc2ccc(F)cc21 ZINC000016024878 207070681 /nfs/dbraw/zinc/07/06/81/207070681.db2.gz IXUGXRFAPZBLMB-ZHUCMLQESA-N 0 0 375.400 0.725 40 0 GCABRN CC(=O)N1CCc2nc([C@H]3CCCCN3C(=O)[C@@H]3CC(=O)N(C)C3)ncc2C1 ZINC000019018158 207100202 /nfs/dbraw/zinc/10/02/02/207100202.db2.gz ZNQMXBUWYGICHQ-RHSMWYFYSA-N 0 0 385.468 0.913 40 0 GCABRN O=C(CN1CCOCC1)N1CCC(C(=O)c2ccc3c(c2)NC(=O)CO3)CC1 ZINC000019345459 207116608 /nfs/dbraw/zinc/11/66/08/207116608.db2.gz OIORHTVAAIZJAX-UHFFFAOYSA-N 0 0 387.436 0.771 40 0 GCABRN CS(=O)(=O)NCC(=O)NC1CCC2(CC1)CNC(=O)c1ccccc1O2 ZINC000019573208 207138094 /nfs/dbraw/zinc/13/80/94/207138094.db2.gz NMECXCRZWBLTDV-UHFFFAOYSA-N 0 0 381.454 0.156 40 0 GCABRN Cc1ncc(C(=O)NCc2ccccc2)c(CCNS(=O)(=O)N(C)C)n1 ZINC000019697227 207148851 /nfs/dbraw/zinc/14/88/51/207148851.db2.gz UIWKZYCXDXGNNE-UHFFFAOYSA-N 0 0 377.470 0.654 40 0 GCABRN O=C(CN1CCNC(=O)C1)NC[C@H](c1ccc(Cl)cc1)N1CCOCC1 ZINC000019718817 207155923 /nfs/dbraw/zinc/15/59/23/207155923.db2.gz KCIYRNILBCTNLC-MRXNPFEDSA-N 0 0 380.876 0.261 40 0 GCABRN Cc1nc(C2CCN(CC(=O)N(C)C)CC2)ncc1C(=O)N1CCOCC1 ZINC000019751985 207159575 /nfs/dbraw/zinc/15/95/75/207159575.db2.gz YIMPRZZTLOUARN-UHFFFAOYSA-N 0 0 375.473 0.525 40 0 GCABRN CCS(=O)(=O)N1CCC[C@H](C(=O)NCc2ccc(S(N)(=O)=O)cc2)C1 ZINC000020032268 207174725 /nfs/dbraw/zinc/17/47/25/207174725.db2.gz UKNHDQNNILCZPA-ZDUSSCGKSA-N 0 0 389.499 0.012 40 0 GCABRN CCN1CCN(C(=O)c2ccc(CS(=O)(=O)N3CCOCC3)cc2)CC1 ZINC000020494867 207199935 /nfs/dbraw/zinc/19/99/35/207199935.db2.gz PUEBVSXKWONBND-UHFFFAOYSA-N 0 0 381.498 0.626 40 0 GCABRN COCCNC(=O)C(=O)NCCc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000022228198 207249426 /nfs/dbraw/zinc/24/94/26/207249426.db2.gz PONSFYOIRLJOBT-UHFFFAOYSA-N 0 0 397.497 0.283 40 0 GCABRN NC(=O)C1CCN(C(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1 ZINC000026535406 207316010 /nfs/dbraw/zinc/31/60/10/207316010.db2.gz PDXSWBOUCDZHGD-UHFFFAOYSA-N 0 0 381.454 0.045 40 0 GCABRN Cc1ccc2c(c1)N(S(C)(=O)=O)C[C@@H](C(=O)NCCCN1CCOCC1)O2 ZINC000030944583 207377751 /nfs/dbraw/zinc/37/77/51/207377751.db2.gz MSJIXVRKKVYPEA-KRWDZBQOSA-N 0 0 397.497 0.361 40 0 GCABRN COc1ccccc1N1C(SCC(=O)N(C)C)=N[C@H]2CS(=O)(=O)C[C@H]21 ZINC000032639821 207399627 /nfs/dbraw/zinc/39/96/27/207399627.db2.gz ADXQAJNRXXOCJP-WCQYABFASA-N 0 0 383.495 0.858 40 0 GCABRN Cn1c2nc(CN3CCOCC3)n(CC(=O)c3ccccc3)c2c(=O)[nH]c1=O ZINC000036075867 207512434 /nfs/dbraw/zinc/51/24/34/207512434.db2.gz SIJRYHHSIVNEKD-UHFFFAOYSA-N 0 0 383.408 0.138 40 0 GCABRN CS(=O)(=O)N1CCC2(CC1)O[C@@H](C(=O)N1CCCCC1)Cn1ccnc12 ZINC000096144797 208272977 /nfs/dbraw/zinc/27/29/77/208272977.db2.gz RCNXLKMTDDWTER-CQSZACIVSA-N 0 0 382.486 0.545 40 0 GCABRN CC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)C[C@@]2(CNC(=O)C2)C1 ZINC000096143291 208271091 /nfs/dbraw/zinc/27/10/91/208271091.db2.gz FZWLJMNPDRDURP-INIZCTEOSA-N 0 0 385.873 0.699 40 0 GCABRN CC(C)NC(=O)[C@@H]1Cn2ccnc2C2(CCN(C(=O)c3cnccn3)CC2)O1 ZINC000096243651 208293056 /nfs/dbraw/zinc/29/30/56/208293056.db2.gz BLGQHAUEIRSGCF-HNNXBMFYSA-N 0 0 384.440 0.728 40 0 GCABRN O=S(=O)(C1CC1)N1C[C@@H]2c3nc(NCC4CC4)ncc3CS(=O)(=O)[C@@H]2C1 ZINC000096251943 208295806 /nfs/dbraw/zinc/29/58/06/208295806.db2.gz DBNMCTOBLINTSR-UONOGXRCSA-N 0 0 398.510 0.487 40 0 GCABRN CN1[C@H]2CCN(C(=O)c3nc[nH]n3)CC[C@@H]2Oc2ccccc2S1(=O)=O ZINC000096263868 208298079 /nfs/dbraw/zinc/29/80/79/208298079.db2.gz SRXALTLRYAMOIM-RYUDHWBXSA-N 0 0 377.426 0.491 40 0 GCABRN CN(C)C(=O)[C@@H]1Cn2ccnc2C2(CCN(C(=O)c3cscn3)CC2)O1 ZINC000096263150 208298716 /nfs/dbraw/zinc/29/87/16/208298716.db2.gz YPMIYENRTIQLOA-ZDUSSCGKSA-N 0 0 375.454 0.958 40 0 GCABRN CCS(=O)(=O)N1CCC2(CC1)O[C@H](C(=O)NCC(C)C)Cn1ccnc12 ZINC000096263083 208298939 /nfs/dbraw/zinc/29/89/39/208298939.db2.gz DHGKBSOMKLOMPZ-AWEZNQCLSA-N 0 0 384.502 0.695 40 0 GCABRN COCCN1[C@H]2CCN(CC(=O)OC)CC[C@@H]2Oc2ccccc2S1(=O)=O ZINC000096263917 208299142 /nfs/dbraw/zinc/29/91/42/208299142.db2.gz OIWQOMIMUYHAFY-GJZGRUSLSA-N 0 0 398.481 0.722 40 0 GCABRN Cc1ccnc(SCCn2c(N3CCCC3)nc3c2c(=O)[nH]c(=O)n3C)n1 ZINC000096306438 208305189 /nfs/dbraw/zinc/30/51/89/208305189.db2.gz LCKDMTOJLFMANH-UHFFFAOYSA-N 0 0 387.469 0.914 40 0 GCABRN CC1(C)c2sc(=O)[nH]c2S[C@@H]2C(=O)N(CC(=O)N3CCOCC3)C(=O)[C@@H]21 ZINC000096300092 208305212 /nfs/dbraw/zinc/30/52/12/208305212.db2.gz OBROIGWEUCEWJH-ZJUUUORDSA-N 0 0 397.478 0.032 40 0 GCABRN CC(C)(C)NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(-n3cnnn3)cc2)C1 ZINC000001363778 208495027 /nfs/dbraw/zinc/49/50/27/208495027.db2.gz YKPLIDINLWOANO-ZDUSSCGKSA-N 0 0 392.485 0.978 40 0 GCABRN CCNC(=O)[C@H]1Cc2c(ncnc2-c2cnn(C)c2)CCN(C(=O)N(C)C)C1 ZINC000306135509 209104193 /nfs/dbraw/zinc/10/41/93/209104193.db2.gz OTKNEAWCVJLHEF-ZDUSSCGKSA-N 0 0 385.472 0.712 40 0 GCABRN CCCCNS(=O)(=O)c1ccc(S(=O)(=O)N2CCN(C=O)CC2)cc1 ZINC000004935670 208546886 /nfs/dbraw/zinc/54/68/86/208546886.db2.gz LVDDWMLSLQUWMJ-UHFFFAOYSA-N 0 0 389.499 0.228 40 0 GCABRN COC(=O)[C@@H](NC(=O)Cc1ccccc1)[C@@H]1N[C@@H](C(=O)OC)C(C)(C)S1 ZINC000031688271 208988942 /nfs/dbraw/zinc/98/89/42/208988942.db2.gz FPWXVXUCFHACJJ-SOUVJXGZSA-N 0 0 380.466 0.870 40 0 GCABRN COCCNC(=O)CN(C[C@@H]1CCCO1)C(=O)CCC(=O)Nc1cc(C)on1 ZINC000004861409 220780117 /nfs/dbraw/zinc/78/01/17/220780117.db2.gz WKZVUIHKMHHLAZ-AWEZNQCLSA-N 0 0 396.444 0.472 40 0 GCABRN CNC(=O)[C@H]1[C@H]2C(=O)N(C3CC3)[C@H](C(=O)NC3CCCCC3)[C@]23C=C[C@@]1(C)O3 ZINC000005000473 220807634 /nfs/dbraw/zinc/80/76/34/220807634.db2.gz XDZKHRZZZUCGTG-RZHZGLJTSA-N 0 0 387.480 0.884 40 0 GCABRN COC(=O)[C@@H](C)NC(=O)[C@@H]1CN(C(=O)c2cccc(F)c2)CCN1C(C)=O ZINC000005398424 220865132 /nfs/dbraw/zinc/86/51/32/220865132.db2.gz FBDKBPVFHVYDBT-ABAIWWIYSA-N 0 0 379.388 0.176 40 0 biogenic,in-vitro GCABRN CN(Cc1cccnc1)C(=O)[C@@H]1CCC[C@@H](NS(C)(=O)=O)CN(C)C(=O)C1 ZINC000096113361 209010662 /nfs/dbraw/zinc/01/06/62/209010662.db2.gz PWHXTOZCJNBCQV-HZPDHXFCSA-N 0 0 396.513 0.606 40 0 biogenic,in-vitro GCABRN Cc1ccccc1OCC(=O)N1Cc2ccnn2[C@H](CNS(C)(=O)=O)C1 ZINC000248044311 209030369 /nfs/dbraw/zinc/03/03/69/209030369.db2.gz WEAGQVDVCKOPBG-OAHLLOKOSA-N 0 0 378.454 0.703 40 0 GCABRN CNc1ncnc2c1ncn2[C@@H]1CC[C@@H](NC(=O)c2cncc(C)c2)[C@@H](O)[C@@H]1O ZINC000257222439 209058499 /nfs/dbraw/zinc/05/84/99/209058499.db2.gz DTHOIVXSVHLOFH-RRCSTGOVSA-N 0 0 397.439 0.427 40 0 GCABRN [NH3+][C@@H](CCC(=O)NCC1(O)CCN(c2ccnc3ccncc32)CC1)C(=O)[O-] ZINC000257262238 209061018 /nfs/dbraw/zinc/06/10/18/209061018.db2.gz LKRNWACIGPTMEY-AWEZNQCLSA-N 0 0 387.440 0.269 40 0 GCABRN CCOC(=O)N1CCN(C2=[NH+][C@H](c3ccco3)[C@@H](C(=O)OC)C([O-])=N2)CC1 ZINC000010157575 221098566 /nfs/dbraw/zinc/09/85/66/221098566.db2.gz ITQCDYZUDUJRAB-CHWSQXEVSA-N 0 0 378.385 0.370 40 0 GCABRN CN(C)c1ncc(C(=O)N2CCC(c3nnsc3S(C)(=O)=O)CC2)cn1 ZINC000012121432 221154820 /nfs/dbraw/zinc/15/48/20/221154820.db2.gz PHUNKETYGVKCAY-UHFFFAOYSA-N 0 0 396.498 0.817 40 0 GCABRN O=C(C1CC1)N1CCC(NS(=O)(=O)c2ccc3c(c2)NC(=O)CO3)CC1 ZINC000012187944 221165820 /nfs/dbraw/zinc/16/58/20/221165820.db2.gz NADIFLRIMKPXSW-UHFFFAOYSA-N 0 0 379.438 0.697 40 0 GCABRN CC(C)NC(=O)NC[C@H]1O[C@@H](CC(=O)NCc2ccc(F)cc2)[C@H](O)[C@@H]1O ZINC000012603541 221214970 /nfs/dbraw/zinc/21/49/70/221214970.db2.gz YSMQYFAZRNAJBR-HDEZJCGLSA-N 0 0 383.420 0.029 40 0 biogenic,in-vitro GCABRN CS(=O)(=O)NCC(=O)N1CCC(c2nc3ccccc3cc2C(N)=O)CC1 ZINC000012730080 221222272 /nfs/dbraw/zinc/22/22/72/221222272.db2.gz YFNUTSAVVGGXED-UHFFFAOYSA-N 0 0 390.465 0.589 40 0 GCABRN Cc1csc2nc3n(c(=O)c12)CCN(C(=O)CN1C(=O)CSC1=O)CC3 ZINC000013227975 221263988 /nfs/dbraw/zinc/26/39/88/221263988.db2.gz NECYUWXMNOUFDK-UHFFFAOYSA-N 0 0 392.462 0.847 40 0 GCABRN NS(=O)(=O)c1ccc(NC(=S)Nc2ccccc2S(N)(=O)=O)cc1 ZINC000016450445 221363591 /nfs/dbraw/zinc/36/35/91/221363591.db2.gz DJLXFKSZUHKHLL-UHFFFAOYSA-N 0 0 386.480 0.790 40 0 GCABRN CCOC(=O)N1CCN(C(=O)c2ccc(OC)c(S(=O)(=O)N(C)C)c2)CC1 ZINC000016682936 221367410 /nfs/dbraw/zinc/36/74/10/221367410.db2.gz DSYIYRXOQCJKBW-UHFFFAOYSA-N 0 0 399.469 0.860 40 0 GCABRN CCn1cnc2sc(C(=O)NCCS(=O)(=O)N3CCCC3)c(C)c2c1=O ZINC000019660301 221438679 /nfs/dbraw/zinc/43/86/79/221438679.db2.gz NTLXLOQJHHSTSM-UHFFFAOYSA-N 0 0 398.510 0.942 40 0 GCABRN CNc1cc(CN(C)C(C)=O)nc([C@H]2CCCCN2S(=O)(=O)N(C)C)n1 ZINC000019709842 221442652 /nfs/dbraw/zinc/44/26/52/221442652.db2.gz ABOREIAUWGNKCH-CQSZACIVSA-N 0 0 384.506 0.830 40 0 GCABRN COCC(=O)NC[C@]1(O)COCCN(C(=O)c2cc3cccc(F)c3[nH]2)C1 ZINC000257299023 209070998 /nfs/dbraw/zinc/07/09/98/209070998.db2.gz ROJYCNSWHWLKKE-GOSISDBHSA-N 0 0 379.388 0.273 40 0 GCABRN COc1ccc(C(=O)NCCO)cc1S(=O)(=O)NCCc1ccccc1 ZINC000408713694 533323935 /nfs/dbraw/zinc/32/39/35/533323935.db2.gz NLVPZFBAEZPXKV-UHFFFAOYSA-N 0 0 378.450 0.938 40 0 GCABRN Cc1noc(C)c1S(=O)(=O)N1CCN(c2cc(-n3cccn3)ncn2)CC1 ZINC000224138763 136206208 /nfs/dbraw/zinc/20/62/08/136206208.db2.gz HAWYHDYHFLCOFG-UHFFFAOYSA-N 0 0 389.441 0.778 40 0 GCABRN CC(C)C[C@H]1OC(=O)CCCNC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC1=O ZINC000031160867 221707630 /nfs/dbraw/zinc/70/76/30/221707630.db2.gz QWWUZAJFCIZIIQ-SOUVJXGZSA-N 0 0 383.489 0.890 40 0 biogenic,in-vitro GCABRN CCn1c(N2CCN(C(=O)c3ccccc3)CC2)nc2c1c(=O)[nH]c(=O)n2C ZINC000072260210 222218067 /nfs/dbraw/zinc/21/80/67/222218067.db2.gz LPNRTHVCMRCRDA-UHFFFAOYSA-N 0 0 382.424 0.406 40 0 GCABRN CC(=O)N1CCN(c2nc3c(c(=O)[nH]c(=O)n3C)n2Cc2ccc(C)cc2)CC1 ZINC000072260124 222218175 /nfs/dbraw/zinc/21/81/75/222218175.db2.gz QMYNYZIASARPQG-UHFFFAOYSA-N 0 0 396.451 0.449 40 0 GCABRN O=C(c1cn(C[C@@H]2CCCN(C(=O)c3cnccn3)C2)nn1)N1CCOCC1 ZINC000072324219 222227705 /nfs/dbraw/zinc/22/77/05/222227705.db2.gz GBWQBYADAOWQQX-CQSZACIVSA-N 0 0 385.428 0.093 40 0 GCABRN Cc1c([C@H]2C[C@H](C(=O)NCc3cccs3)N(C)S(=O)(=O)N2)cnn1C ZINC000072335091 222230722 /nfs/dbraw/zinc/23/07/22/222230722.db2.gz NLBSOYLOSOSANV-ZIAGYGMSSA-N 0 0 383.499 0.686 40 0 GCABRN COc1cnc(C2(O)CCN(C(=O)CCn3ccnc3C)CC2)c(OC)n1 ZINC000072342911 222232003 /nfs/dbraw/zinc/23/20/03/222232003.db2.gz QNXQRKFRFBWLLC-UHFFFAOYSA-N 0 0 375.429 0.899 40 0 GCABRN C[C@H]1CCCC[C@@H]1NC(=O)Cn1c2ccccc2n2c1nn(CC(N)=O)c2=O ZINC000072347014 222233066 /nfs/dbraw/zinc/23/30/66/222233066.db2.gz ZATVNBZASWPHGI-STQMWFEESA-N 0 0 384.440 0.631 40 0 GCABRN Nc1nc2c(cc1C(=O)N1CCOCC1)CN(C(=O)C[C@H]1CCCCO1)CC2 ZINC000072345690 222233803 /nfs/dbraw/zinc/23/38/03/222233803.db2.gz LZLVFBAGEMLVOS-OAHLLOKOSA-N 0 0 388.468 0.980 40 0 GCABRN O=C(CN1c2c(cnn2-c2ccccc2)C2=NCCN2C1=O)N1CCOCC1 ZINC000072347689 222234300 /nfs/dbraw/zinc/23/43/00/222234300.db2.gz YEMQCZYQNMATNM-UHFFFAOYSA-N 0 0 380.408 0.733 40 0 GCABRN COc1ccc([C@@H]2C[C@H](C(=O)N3CCN(C)CC3)N(C)S(=O)(=O)N2)cc1 ZINC000072389498 222247360 /nfs/dbraw/zinc/24/73/60/222247360.db2.gz QNYKSWWVNIWJRX-JKSUJKDBSA-N 0 0 382.486 0.049 40 0 GCABRN Cn1cc(N2C[C@]3(COCCN(C(=O)c4cccs4)C3)OCC2=O)cn1 ZINC000096051440 222374293 /nfs/dbraw/zinc/37/42/93/222374293.db2.gz VZZCRAQROIHGMR-QGZVFWFLSA-N 0 0 376.438 0.756 40 0 GCABRN Cn1cc(N2C[C@@]3(COCCN(C(=O)c4cccs4)C3)OCC2=O)cn1 ZINC000096051441 222374325 /nfs/dbraw/zinc/37/43/25/222374325.db2.gz VZZCRAQROIHGMR-KRWDZBQOSA-N 0 0 376.438 0.756 40 0 GCABRN CS(=O)(=O)N1C[C@H]2CN(C(=O)c3nc[nH]n3)CC[C@]2(c2ccccc2)C1 ZINC000096083397 222378530 /nfs/dbraw/zinc/37/85/30/222378530.db2.gz FNDURJOUAYTPMD-RHSMWYFYSA-N 0 0 375.454 0.480 40 0 GCABRN CS(=O)(=O)N1C[C@@H]2CN(C(=O)c3nc[nH]n3)CC[C@]2(c2ccccc2)C1 ZINC000096083396 222378976 /nfs/dbraw/zinc/37/89/76/222378976.db2.gz FNDURJOUAYTPMD-WMLDXEAASA-N 0 0 375.454 0.480 40 0 GCABRN COCC(=O)N[C@@H]1CCC[C@@H](C(=O)N(C)Cc2cccnc2)CC(=O)N(C)C1 ZINC000096113311 222381104 /nfs/dbraw/zinc/38/11/04/222381104.db2.gz ZFHXJXJGPFCYST-IAGOWNOFSA-N 0 0 390.484 0.820 40 0 biogenic,in-vitro GCABRN CN(C)C(=O)N1CCN(S(=O)(=O)c2ccccc2)C[C@]2(CC(=O)N(C)C2)C1 ZINC000096143426 222387585 /nfs/dbraw/zinc/38/75/85/222387585.db2.gz KRTQHCSGHJCIPZ-SFHVURJKSA-N 0 0 394.497 0.523 40 0 GCABRN O=C(c1cc[nH]n1)N1C[C@H]2C[C@H]3[C@@](CN(Cc4ccncc4)S3(=O)=O)(C1)O2 ZINC000096146004 222390210 /nfs/dbraw/zinc/39/02/10/222390210.db2.gz DMESWUMFQYBFNA-KMFMINBZSA-N 0 0 389.437 0.002 40 0 GCABRN CC(=O)N1CCN(c2ccc3ccc(C(=O)NCCN4CCOCC4)cn32)CC1 ZINC000096155962 222393935 /nfs/dbraw/zinc/39/39/35/222393935.db2.gz KIUWNXABCSPGPP-UHFFFAOYSA-N 0 0 399.495 0.670 40 0 GCABRN COC(=O)C1(C(=O)OC)O[C@H](c2ccc(OC)cc2)[C@@H]2C(=O)N(C)C(=O)[C@H]21 ZINC000104243353 222501569 /nfs/dbraw/zinc/50/15/69/222501569.db2.gz BABFQGSVMPHVNB-FRRDWIJNSA-N 0 0 377.349 0.082 40 0 GCABRN C[C@H](O)CNC(=O)[C@@H]1CC(=O)N(c2ccc(OCC(=O)N3CCCC3)cc2)C1 ZINC000408614341 534086171 /nfs/dbraw/zinc/08/61/71/534086171.db2.gz BBZGUXGBHPUJPB-LSDHHAIUSA-N 0 0 389.452 0.538 40 0 GCABRN C[C@H](O)CNC(=O)[C@H]1CC(=O)N(c2ccc(OCC(=O)N3CCCC3)cc2)C1 ZINC000408614339 534086460 /nfs/dbraw/zinc/08/64/60/534086460.db2.gz BBZGUXGBHPUJPB-GJZGRUSLSA-N 0 0 389.452 0.538 40 0 GCABRN CCNS(=O)(=O)c1cc(C(=O)NCCN2CCOCC2)ccc1OCC ZINC000408701325 528375631 /nfs/dbraw/zinc/37/56/31/528375631.db2.gz WGRWWRFPGHHEEM-UHFFFAOYSA-N 0 0 385.486 0.446 40 0 GCABRN CCN1CCN(C(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2C)CC1 ZINC000113942032 529134202 /nfs/dbraw/zinc/13/42/02/529134202.db2.gz DWZAZRHDMLZUQY-UHFFFAOYSA-N 0 0 381.498 0.794 40 0 GCABRN O=C(c1cccnc1)N1CC2(C1)CN(Cc1cccnc1)C[C@H]1C[C@@H](O)CN12 ZINC000514288459 560035092 /nfs/dbraw/zinc/03/50/92/560035092.db2.gz AIHNUGGQLGXWJE-RTBURBONSA-N 0 0 379.464 0.622 40 0 biogenic,in-vitro GCABRN CCCCC[C@@H](CC[C@H]1CCC(=O)O1)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000514288247 560035239 /nfs/dbraw/zinc/03/52/39/560035239.db2.gz YAZBAPFSBSLGJA-CYGVFTLASA-N 0 0 376.446 0.238 40 0 biogenic,in-vitro GCABRN CCCCC[C@H](CC[C@H]1CCC(=O)O1)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000514288245 560035431 /nfs/dbraw/zinc/03/54/31/560035431.db2.gz YAZBAPFSBSLGJA-AUPVCWRJSA-N 0 0 376.446 0.238 40 0 biogenic,in-vitro GCABRN CC(C)NC(=O)C[C@@H]1C[C@H]2O[C@H](CNC(=O)NC3CCCCC3)[C@@H](O)[C@H]2O1 ZINC000225513519 560042371 /nfs/dbraw/zinc/04/23/71/560042371.db2.gz RTJSIICNDLHPBO-GRLWTPEZSA-N 0 0 383.489 0.819 40 0 biogenic,in-vitro GCABRN O=C(N[C@@H]1C[C@H](Cn2cc(C3CC3)nn2)[C@@H](O)[C@H]1O)c1ccc2c(c1)OCO2 ZINC000225498100 560042527 /nfs/dbraw/zinc/04/25/27/560042527.db2.gz XBXVIYUQDGSNFC-HLNSBACISA-N 0 0 386.408 0.425 40 0 biogenic,in-vitro GCABRN Cc1ccc(CN2C(=O)[C@@H]3C[C@@H](O)CN3C3(CN(Cc4ccccn4)C3)C2=O)o1 ZINC000225398104 560043601 /nfs/dbraw/zinc/04/36/01/560043601.db2.gz BXTWAMJEMRAYGZ-AEFFLSMTSA-N 0 0 396.447 0.542 40 0 biogenic,in-vitro GCABRN CCCCN1C(=O)[C@@H]2C[C@@H](O)CN2C2(CN(Cc3cccc(F)c3)C2)C1=O ZINC000225384619 560043957 /nfs/dbraw/zinc/04/39/57/560043957.db2.gz NUUOLKSFVCHVHL-SJORKVTESA-N 0 0 375.444 0.984 40 0 biogenic,in-vitro GCABRN CCCCN1C(=O)[C@@H]2C[C@@H](O)CN2C2(CN(Cc3cccc(OC)c3)C2)C1=O ZINC000225384776 560043978 /nfs/dbraw/zinc/04/39/78/560043978.db2.gz VXSZLKSCQPFQRS-AEFFLSMTSA-N 0 0 387.480 0.854 40 0 biogenic,in-vitro GCABRN Cn1ccnc1CN1C[C@H]2CN(S(=O)(=O)c3ccccc3)CCN2C1=O ZINC000096269103 560054117 /nfs/dbraw/zinc/05/41/17/560054117.db2.gz BYMPINUZZJTZDD-AWEZNQCLSA-N 0 0 375.454 0.731 40 0 biogenic,in-vitro GCABRN CN1[C@@H]2CCN(Cc3csnn3)[C@@H]2C(=O)NC[C@@H]1CCC(=O)N1CCCC1 ZINC000035442392 560079356 /nfs/dbraw/zinc/07/93/56/560079356.db2.gz SDYLAUCJQCMFEI-UXLLHSPISA-N 0 0 392.529 0.314 40 0 biogenic,in-vitro GCABRN CCN(CC)C(=O)CC[C@@H]1CNC(=O)[C@@H]2C[C@H](NC(=O)c3ccco3)CN21 ZINC000012530579 560212928 /nfs/dbraw/zinc/21/29/28/560212928.db2.gz RBNFINVCFURJCA-ZNMIVQPWSA-N 0 0 376.457 0.599 40 0 biogenic,in-vitro GCABRN CN(CCc1ccccn1)C(=O)C1CN(C(=O)Cn2nnc3ccccc32)C1 ZINC000019748678 570214242 /nfs/dbraw/zinc/21/42/42/570214242.db2.gz XBPODJRXGWUSEC-UHFFFAOYSA-N 0 0 378.436 0.986 40 0 GCABRN O=C([C@@H]1CCS(=O)(=O)[C@@H]2CN(Cc3cccnc3)C[C@@H]21)N1CCOCC1 ZINC000096251027 570224709 /nfs/dbraw/zinc/22/47/09/570224709.db2.gz DERHPXOQKGXFIK-BRWVUGGUSA-N 0 0 379.482 0.176 40 0 GCABRN NC(=O)C[C@@]1(COc2ccc(F)cc2)CN(C(=O)CN2CCOCC2)CCO1 ZINC000585285489 570254960 /nfs/dbraw/zinc/25/49/60/570254960.db2.gz YYOIDNRLQSJDDQ-IBGZPJMESA-N 0 0 395.431 0.010 40 0 GCABRN CC(=O)N1CCN(C[C@]2(O)CN(C(=O)c3ccc(Cl)cc3)CC[C@H]2O)CC1 ZINC000585286860 570256146 /nfs/dbraw/zinc/25/61/46/570256146.db2.gz VUVVXVNWVZOKPO-MJGOQNOKSA-N 0 0 395.887 0.442 40 0 GCABRN CS(=O)(=O)N1C[C@H](C(=O)NCCCN2CCOCC2)Oc2ccccc21 ZINC000020460360 570260405 /nfs/dbraw/zinc/26/04/05/570260405.db2.gz AGMNHXPQBQMHML-MRXNPFEDSA-N 0 0 383.470 0.052 40 0 GCABRN CC(=O)N1CC2(C[C@@]1(C)CO)CCN(C(=O)/C=C/CN1CCOCC1)CC2 ZINC000585292094 570261014 /nfs/dbraw/zinc/26/10/14/570261014.db2.gz WVGSRVGEXWAXHW-RTLBZRNLSA-N 0 0 379.501 0.487 40 0 GCABRN CCOC(=O)[C@H]1C([O-])=NC(N2CCN(C(=O)OCC)CC2)=[NH+][C@H]1c1ccco1 ZINC000020637033 570273854 /nfs/dbraw/zinc/27/38/54/570273854.db2.gz QPINWYWYRZQIIU-KGLIPLIRSA-N 0 0 392.412 0.760 40 0 GCABRN COc1ccc(NC(=O)[C@@H]2CC(=O)Nc3nc(N4CCOCC4)nc(N)c32)cc1 ZINC000020674095 570274756 /nfs/dbraw/zinc/27/47/56/570274756.db2.gz UREZTSVZZRVLQA-CYBMUJFWSA-N 0 0 398.423 0.969 40 0 GCABRN Nc1nc(N2CCOCC2)nc2c1[C@@H](C(=O)NCc1ccccc1)CC(=O)N2 ZINC000020674080 570274782 /nfs/dbraw/zinc/27/47/82/570274782.db2.gz HLRGGGNXVRQUBN-ZDUSSCGKSA-N 0 0 382.424 0.638 40 0 GCABRN O=C([C@H]1CC[C@H](CNS(=O)(=O)c2ccccc2)CC1)N1CCNC(=O)C1 ZINC000101510703 570275798 /nfs/dbraw/zinc/27/57/98/570275798.db2.gz JHDLQRUVHHIWKP-GASCZTMLSA-N 0 0 379.482 0.730 40 0 GCABRN COCCCNC(=O)C(=O)NCc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000020768871 570281909 /nfs/dbraw/zinc/28/19/09/570281909.db2.gz GGNQJDDTUPJARI-UHFFFAOYSA-N 0 0 383.470 0.240 40 0 GCABRN CC(=O)OC[C@@H]1O[C@H](n2ccc(=O)[nH]c2=S)[C@H](OC(C)=O)[C@H]1OC(C)=O ZINC000102987248 570293808 /nfs/dbraw/zinc/29/38/08/570293808.db2.gz YKDNCFTUUKOENT-DEQVHRJGSA-N 0 0 386.382 0.642 40 0 GCABRN COC(=O)[C@@H]1[C@@H](c2ccco2)N[C@@H](c2ccco2)[C@@H](C(=O)OC)S1(=O)=O ZINC000575410842 570303363 /nfs/dbraw/zinc/30/33/63/570303363.db2.gz NEBMSDWSLGDASG-CRWXNKLISA-N 0 0 383.378 0.756 40 0 GCABRN COCCN1C(=O)[C@@H]2[C@H](C1=O)[C@@H]([C@H](C)O)N[C@@]21C(=O)Nc2ccc(Cl)cc21 ZINC000105352833 570304578 /nfs/dbraw/zinc/30/45/78/570304578.db2.gz RNCNDEZJKDJMRW-LPRHKYBASA-N 0 0 393.827 0.088 40 0 GCABRN Cc1cc(=O)oc2cc(O[C@]3(C)O[C@@H](CO)[C@](C)(O)[C@](C)(O)[C@]3(C)O)ccc12 ZINC000043509388 570319828 /nfs/dbraw/zinc/31/98/28/570319828.db2.gz VERJTZMTVXTWPT-ONSCTEFMSA-N 0 0 394.420 0.841 40 0 GCABRN CCCCCOC(=O)Cn1c(=O)c2c(nc(N3CCOCC3)n2C)n(C)c1=O ZINC000003009645 570326193 /nfs/dbraw/zinc/32/61/93/570326193.db2.gz RCSSFRNDLJVBJN-UHFFFAOYSA-N 0 0 393.444 0.004 40 0 GCABRN CCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CCC(C(N)=O)CC2)cc1C ZINC000408617863 570364755 /nfs/dbraw/zinc/36/47/55/570364755.db2.gz DSAGNGXHJUXTTJ-ZDUSSCGKSA-N 0 0 397.497 0.784 40 0 GCABRN CC(C)C[C@@H](NC(=O)[C@H]1CCCN1C(=O)OC(C)(C)C)C(=O)NCC(N)=O ZINC000004354370 570370469 /nfs/dbraw/zinc/37/04/69/570370469.db2.gz MZKJRCQSMFAOCW-CHWSQXEVSA-N 0 0 384.477 0.518 40 0 GCABRN Cc1cnc(C(=O)N2CCC[C@H](Cn3cc(C(=O)N4CCOCC4)nn3)C2)cn1 ZINC000057731247 570371562 /nfs/dbraw/zinc/37/15/62/570371562.db2.gz MCKCTOMGNSNDDG-HNNXBMFYSA-N 0 0 399.455 0.401 40 0 GCABRN CCOC(=O)[C@H](C)OC(=O)[C@@H](C)OC(=O)[C@@H](C)OC(=O)[C@@H](C)OC(C)=O ZINC000004428336 570375083 /nfs/dbraw/zinc/37/50/83/570375083.db2.gz YDQFEYZKJCQJIE-LNFKQOIKSA-N 0 0 376.358 0.296 40 0 GCABRN CCS[C@H]1O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O ZINC000004802838 570406361 /nfs/dbraw/zinc/40/63/61/570406361.db2.gz YPNFVZQPWZMHIF-UYJHQMFVSA-N 0 0 392.426 0.823 40 0 GCABRN CC(=O)OC[C@@H]1O[C@@H](n2ccc(=S)[nH]c2=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O ZINC000004877473 570414828 /nfs/dbraw/zinc/41/48/28/570414828.db2.gz VOSWRYRYGCAHQU-DOERSZECSA-N 0 0 386.382 0.642 40 0 GCABRN CC(C)[C@@H]([NH3+])C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)[O-])C(C)C ZINC000005274104 570433028 /nfs/dbraw/zinc/43/30/28/570433028.db2.gz ZNGPROMGGGFOAA-XHSDSOJGSA-N 0 0 379.457 0.628 40 0 GCABRN O=C([O-])[C@H]1[C@@H]2C=C[C@@H](O2)[C@H]1C(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000035898187 570437545 /nfs/dbraw/zinc/43/75/45/570437545.db2.gz NQCSGJKNBZCZRS-ATLSCFEFSA-N 0 0 386.404 0.714 40 0 GCABRN COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N3CCN(C=O)CC3)C2)cc1 ZINC000026111345 570449437 /nfs/dbraw/zinc/44/94/37/570449437.db2.gz OPOZLFIPPGEHRQ-HNNXBMFYSA-N 0 0 395.481 0.397 40 0 GCABRN COc1ccc(OC)c(N(CC(=O)N2CCC(C(N)=O)CC2)S(C)(=O)=O)c1 ZINC000000785153 570481199 /nfs/dbraw/zinc/48/11/99/570481199.db2.gz PTZRPOHWECUSAF-UHFFFAOYSA-N 0 0 399.469 0.194 40 0 GCABRN CS(=O)(=O)N1CCC(C(=O)NCc2ccc(CN3CCOCC3)cc2)CC1 ZINC000029882399 570481984 /nfs/dbraw/zinc/48/19/84/570481984.db2.gz SUUKFBNRRXCKCD-UHFFFAOYSA-N 0 0 395.525 0.807 40 0 GCABRN CCCn1c(SCC(=O)NC[C@H]2CCCO2)nc2c1c(=O)n(C)c(=O)n2C ZINC000000880938 570507858 /nfs/dbraw/zinc/50/78/58/570507858.db2.gz CQHQKEUPUIMANL-LLVKDONJSA-N 0 0 395.485 0.231 40 0 GCABRN CCn1c(=O)c2c(nc(SCC(=O)N3CCC[C@@H](C)C3)n2C)n(C)c1=O ZINC000000887151 570510974 /nfs/dbraw/zinc/51/09/74/570510974.db2.gz KSJFWPOJUZTDJX-LLVKDONJSA-N 0 0 379.486 0.804 40 0 GCABRN COc1cccc(OCCNC(=O)[C@@H]2CCCN(S(=O)(=O)N(C)C)C2)c1 ZINC000224383215 570511607 /nfs/dbraw/zinc/51/16/07/570511607.db2.gz NOENCUSQZNDQPS-CQSZACIVSA-N 0 0 385.486 0.709 40 0 GCABRN COc1cccc(OCCNC(=O)[C@H]2CCCN(S(=O)(=O)N(C)C)C2)c1 ZINC000224383274 570511711 /nfs/dbraw/zinc/51/17/11/570511711.db2.gz NOENCUSQZNDQPS-AWEZNQCLSA-N 0 0 385.486 0.709 40 0 GCABRN O=C(NC[C@H]1CO[C@@H]2CN(S(=O)(=O)c3cccnc3)C[C@H]12)c1cccnc1 ZINC000575402483 570519128 /nfs/dbraw/zinc/51/91/28/570519128.db2.gz BGXGHQUKYOHSBN-USXIJHARSA-N 0 0 388.449 0.542 40 0 GCABRN O=C(CO[C@@H]1CSC2(CN(S(=O)(=O)c3cccnc3)C2)C1)N1CCCC1 ZINC000575403064 570519497 /nfs/dbraw/zinc/51/94/97/570519497.db2.gz IHQGORHQNGXOMX-AWEZNQCLSA-N 0 0 397.522 0.969 40 0 GCABRN O=C(CO[C@H]1CSC2(CN(S(=O)(=O)c3cccnc3)C2)C1)N1CCCC1 ZINC000575403067 570519520 /nfs/dbraw/zinc/51/95/20/570519520.db2.gz IHQGORHQNGXOMX-CQSZACIVSA-N 0 0 397.522 0.969 40 0 GCABRN CNC(=O)[C@H]1COC2(CN(C(=O)[C@@H]3Cc4ccccc4O3)C2)CN1CC1CC1 ZINC000575406230 570522243 /nfs/dbraw/zinc/52/22/43/570522243.db2.gz WEGJWUHKWSKWMX-AEFFLSMTSA-N 0 0 385.464 0.428 40 0 GCABRN COCCn1ccc(C(=O)N2C[C@H]3OC[C@@H](CNC(=O)c4cccnc4)[C@H]3C2)n1 ZINC000575406739 570522665 /nfs/dbraw/zinc/52/26/65/570522665.db2.gz RMUIZNWFCBOORY-JFIYKMOQSA-N 0 0 399.451 0.442 40 0 GCABRN CC(C)CCC(=O)N1CC2(C1)CN(C)[C@@H](C(=O)NCC1CCOCC1)CO2 ZINC000575406674 570522786 /nfs/dbraw/zinc/52/27/86/570522786.db2.gz ZPVQAFHYMZGKPU-QGZVFWFLSA-N 0 0 381.517 0.877 40 0 GCABRN COc1ccc(S(=O)(=O)N(C)C)cc1CCC(=O)N1CCC(C(N)=O)CC1 ZINC000224929646 570538744 /nfs/dbraw/zinc/53/87/44/570538744.db2.gz JQEZAATWRZIPLA-UHFFFAOYSA-N 0 0 397.497 0.602 40 0 GCABRN CCOC(=O)[C@H]1C([O-])=NC(N2CCN(C=O)CC2)=[NH+][C@@H]1c1ccccc1OC ZINC000010157519 570566184 /nfs/dbraw/zinc/56/61/84/570566184.db2.gz PPHVVEQAOZKDNK-HZPDHXFCSA-N 0 0 388.424 0.175 40 0 GCABRN CCOC(=O)N1CCN(C2=[NH+][C@@H](c3ccco3)[C@@H](C(=O)OC)C([O-])=N2)CC1 ZINC000010157573 570566513 /nfs/dbraw/zinc/56/65/13/570566513.db2.gz ITQCDYZUDUJRAB-OLZOCXBDSA-N 0 0 378.385 0.370 40 0 GCABRN O=c1[nH]c2ccc(S(=O)(=O)N3CCN(c4ccccn4)CC3)cc2c(=O)[nH]1 ZINC000036741435 570569241 /nfs/dbraw/zinc/56/92/41/570569241.db2.gz LGTVEMDKCVSKPV-UHFFFAOYSA-N 0 0 387.421 0.122 40 0 GCABRN CCN(CC(=O)N1CCC(C(N)=O)CC1)S(=O)(=O)c1cc(C)ccc1OC ZINC000039985699 570595038 /nfs/dbraw/zinc/59/50/38/570595038.db2.gz KXLYNIKWVMHWFL-UHFFFAOYSA-N 0 0 397.497 0.738 40 0 GCABRN NC(=O)NC(=O)[C@H]1CC(=O)Nc2nc(Nc3cccc(Cl)c3)[nH]c(=O)c21 ZINC000040399431 570602710 /nfs/dbraw/zinc/60/27/10/570602710.db2.gz SRAYSCLICADVCW-QMMMGPOBSA-N 0 0 376.760 0.788 40 0 GCABRN CS(=O)(=O)c1cnc2ncnn2c1[C@H]1CCCN(C(=O)c2ccncc2)C1 ZINC000012118913 570612486 /nfs/dbraw/zinc/61/24/86/570612486.db2.gz PKPCKLPKBRFAIO-ZDUSSCGKSA-N 0 0 386.437 0.943 40 0 GCABRN CS(=O)(=O)c1cnc2ncnn2c1[C@H]1CCCN(C(=O)[C@H]2CCCO2)C1 ZINC000012118930 570612653 /nfs/dbraw/zinc/61/26/53/570612653.db2.gz AUJAEBIVYMRTQN-NWDGAFQWSA-N 0 0 379.442 0.413 40 0 GCABRN Cc1nn(C)cc1[C@@H]1C[C@@H](C(=O)NCCc2ccccc2)N(C)S(=O)(=O)N1 ZINC000012131438 570613539 /nfs/dbraw/zinc/61/35/39/570613539.db2.gz ZVGBSONLTFAWRK-IRXDYDNUSA-N 0 0 391.497 0.667 40 0 GCABRN COCCNC(=O)c1cn(C[C@@H]2CCCN(C(=O)c3scnc3C)C2)nn1 ZINC000012141951 570615021 /nfs/dbraw/zinc/61/50/21/570615021.db2.gz ZKTBINRJWBOYMV-CYBMUJFWSA-N 0 0 392.485 0.972 40 0 GCABRN C=CNc1nc2c(c(=O)n(C)c(=O)n2C)n1C[C@@H](O)COc1cccc(C)c1 ZINC000004386219 570626890 /nfs/dbraw/zinc/62/68/90/570626890.db2.gz PJWYASZJHXNJAP-CYBMUJFWSA-N 0 0 385.424 0.737 40 0 GCABRN CCOC(=O)COc1ccc(NC(=O)[C@@]23C[C@@H]2CCN(C)S3(=O)=O)cc1 ZINC000225953217 570636009 /nfs/dbraw/zinc/63/60/09/570636009.db2.gz VTCCJXRXUHWVLG-YVEFUNNKSA-N 0 0 382.438 0.991 40 0 GCABRN CCOC(=O)C1(c2ccc(NC(=O)CN(C)S(=O)(=O)N(C)C)cc2)CC1 ZINC000225960371 570637004 /nfs/dbraw/zinc/63/70/04/570637004.db2.gz HAFMLQJJEDNJEB-UHFFFAOYSA-N 0 0 383.470 0.958 40 0 GCABRN COCCNC(=O)Cn1nc2c(cc1=O)CCc1nc(N3CCCCC3)ncc1-2 ZINC000012327227 570643677 /nfs/dbraw/zinc/64/36/77/570643677.db2.gz XLSPOBGVCLNKQA-UHFFFAOYSA-N 0 0 398.467 0.552 40 0 GCABRN COC(=O)[C@@H]1[C@H](c2ccccc2)[C@H](C(=O)OC)[C@@]2(C[C@]1(C)O)NNC(=S)N2 ZINC000228707441 570663250 /nfs/dbraw/zinc/66/32/50/570663250.db2.gz JAOODCGAHPLYJW-YOCBEXAOSA-N 0 0 393.465 0.182 40 0 GCABRN O=C(Cn1c2ccsc2c(=O)n(Cc2ccco2)c1=O)N1CCOCC1 ZINC000006678799 570673193 /nfs/dbraw/zinc/67/31/93/570673193.db2.gz UPZYMGMNAYKVRZ-UHFFFAOYSA-N 0 0 375.406 0.725 40 0 GCABRN COC(=O)[C@@H]1CN(C(=O)[C@H]2CCCN(S(C)(=O)=O)C2)c2ccccc2O1 ZINC000260752168 570703018 /nfs/dbraw/zinc/70/30/18/570703018.db2.gz XSAAIZSBBFIVNW-WFASDCNBSA-N 0 0 382.438 0.625 40 0 GCABRN CN(C)S(=O)(=O)N1CCC[C@H](C(=O)Nc2ccc(N3CCOCC3)cc2)C1 ZINC000260902614 570713695 /nfs/dbraw/zinc/71/36/95/570713695.db2.gz UFOCDGCUJMGRLG-HNNXBMFYSA-N 0 0 396.513 0.980 40 0 GCABRN COCCNC(=O)[C@@H]1COC2(CN(c3ncc(F)cn3)C2)CN1CC1CC1 ZINC000247818455 570716079 /nfs/dbraw/zinc/71/60/79/570716079.db2.gz CFMNQFRPJBVOEN-HNNXBMFYSA-N 0 0 379.436 0.048 40 0 GCABRN COc1ncccc1C(=O)N1Cc2ccnn2C[C@@H](CNS(C)(=O)=O)C1 ZINC000247887509 570717301 /nfs/dbraw/zinc/71/73/01/570717301.db2.gz SBAYHAWNDRZLHQ-LBPRGKRZSA-N 0 0 379.442 0.108 40 0 GCABRN CCS(=O)(=O)CCN1Cc2cncn2[C@@H](C(=O)NCc2cccnc2)C1 ZINC000253488266 570732999 /nfs/dbraw/zinc/73/29/99/570732999.db2.gz ACOAVYFXPJWBSD-MRXNPFEDSA-N 0 0 377.470 0.386 40 0 GCABRN OC[C@@H]1O[C@@H](n2cnc3c2ncnc3Nc2ccccc2Cl)[C@@H](O)[C@@H]1O ZINC000005515038 570733485 /nfs/dbraw/zinc/73/34/85/570733485.db2.gz ONONMLMFXBFTIS-YPHNTLSLSA-N 0 0 377.788 0.835 40 0 GCABRN CC(=O)OC[C@@H]1O[C@H](n2ccc(=O)[nH]c2=S)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000014766422 570737402 /nfs/dbraw/zinc/73/74/02/570737402.db2.gz YKDNCFTUUKOENT-GHYVTOPFSA-N 0 0 386.382 0.230 40 0 GCABRN CC(C)(C)NS(=O)(=O)c1ccc(OCC(=O)N2CCC(C(N)=O)CC2)cc1 ZINC000006322516 570741743 /nfs/dbraw/zinc/74/17/43/570741743.db2.gz UYDAXVASLJULBW-UHFFFAOYSA-N 0 0 397.497 0.866 40 0 GCABRN O=C(N[C@@H]1C[C@@H](Oc2cccnc2)[C@H](O)[C@H]1N1CCOCC1)c1ccccn1 ZINC000257213743 570761540 /nfs/dbraw/zinc/76/15/40/570761540.db2.gz CIXFLHMIRRSJDK-YRXWBPOGSA-N 0 0 384.436 0.488 40 0 GCABRN COc1ccc(C(=O)N2CCN(C(C)=O)[C@H](C(N)=O)C2)cc1Cn1cccn1 ZINC000257240450 570767984 /nfs/dbraw/zinc/76/79/84/570767984.db2.gz HTNVMGJTMHGCNQ-INIZCTEOSA-N 0 0 385.424 0.098 40 0 GCABRN CN1CCN(C(=O)c2c[nH]c(=O)[nH]2)C[C@H]1C(=O)NCCOc1cccc(F)c1 ZINC000257248125 570770138 /nfs/dbraw/zinc/77/01/38/570770138.db2.gz JCFHKRZHEPJLJK-HNNXBMFYSA-N 0 0 391.403 0.206 40 0 GCABRN CC(C)N1CCN(C(=O)CCS(=O)(=O)c2ccc(F)cc2)C[C@@H]1C(N)=O ZINC000257275571 570773772 /nfs/dbraw/zinc/77/37/72/570773772.db2.gz NPXUVFRRNITQNH-OAHLLOKOSA-N 0 0 385.461 0.396 40 0 GCABRN COc1ccccc1[C@H]1N=C(N2CCN(CCO)CC2)Nc2nc(C)cc(=O)n21 ZINC000009289611 570774727 /nfs/dbraw/zinc/77/47/27/570774727.db2.gz WRKHSZYPCSTOBB-SFHVURJKSA-N 0 0 398.467 0.499 40 0 GCABRN Cc1nn(C)cc1S(=O)(=O)N1CCN(Cc2ccccc2)[C@@H](C(N)=O)C1 ZINC000257297297 570777417 /nfs/dbraw/zinc/77/74/17/570777417.db2.gz RGRHXWXHYHDTFG-OAHLLOKOSA-N 0 0 377.470 0.089 40 0 GCABRN CC(=O)NCC(=O)NC[C@@]1(c2ccccc2)CC[C@H](O)[C@@H](NC(C)=O)CC1 ZINC000257298704 570777852 /nfs/dbraw/zinc/77/78/52/570777852.db2.gz RMYJBAMWLFJXHA-BJLQDIEVSA-N 0 0 375.469 0.616 40 0 GCABRN Cc1c([C@H]2C[C@H](C(=O)Nc3cc(C)ccc3O)N(C)S(=O)(=O)N2)cnn1C ZINC000072335070 570879410 /nfs/dbraw/zinc/87/94/10/570879410.db2.gz PLTLZSUVCKJCSM-UKRRQHHQSA-N 0 0 393.469 0.961 40 0 GCABRN COCCn1nnnc1[C@H](c1cc(OC)ccc1OC)N1CCN(C)CC1 ZINC000019589819 570927660 /nfs/dbraw/zinc/92/76/60/570927660.db2.gz XKOMBEHTPSUWTG-KRWDZBQOSA-N 0 0 376.461 0.674 40 0 GCABRN O=C(N[C@@H]1CCS(=O)(=O)C1)C1=NO[C@@]2(C1)CCCN(Cc1ccccn1)C2 ZINC000585101052 570928598 /nfs/dbraw/zinc/92/85/98/570928598.db2.gz ACGAFYACDZJQJH-CRAIPNDOSA-N 0 0 392.481 0.496 40 0 GCABRN O=C(NC1CCC1)c1nnc2n1CCN1CCN(C(=O)C3CC(F)C3)C[C@@H]21 ZINC000585109951 570939085 /nfs/dbraw/zinc/93/90/85/570939085.db2.gz SFBXWXDKKRQDPT-YIZWMMSDSA-N 0 0 376.436 0.507 40 0 GCABRN COc1cc(OC)cc(-n2nnnc2SCC(=O)N2CCN(C)CC2)c1 ZINC000020097638 570940742 /nfs/dbraw/zinc/94/07/42/570940742.db2.gz WAFAVSQCODWEQP-UHFFFAOYSA-N 0 0 378.458 0.546 40 0 GCABRN O=C(NCC[C@@H]1CN(S(=O)(=O)C2CC2)Cc2ccnn21)c1cccnc1 ZINC000585112954 570943304 /nfs/dbraw/zinc/94/33/04/570943304.db2.gz ZKQJNDSNIZSZGR-CQSZACIVSA-N 0 0 375.454 0.947 40 0 GCABRN C[C@H]1CCC=C2C[C@H]3OC(=O)[C@H](CN4CC[NH+](CCO)CC4)[C@H]3[C@@H](O)[C@@]21C ZINC000020411560 570946032 /nfs/dbraw/zinc/94/60/32/570946032.db2.gz HMSAIGOZLMKVAN-RUNBYEGESA-N 0 0 378.513 0.881 40 0 GCABRN CN(C)c1ncc2c(cc(C3CCN(C(=O)[C@H]4CC(=O)N(C)C4)CC3)[nH]c2=O)n1 ZINC000019587189 571015803 /nfs/dbraw/zinc/01/58/03/571015803.db2.gz LVYSGZAPEASDCX-ZDUSSCGKSA-N 0 0 398.467 0.568 40 0 GCABRN COCC(=O)N[C@@H](Cc1cc(=O)[nH]c(N2CCOCC2)n1)c1ccc(F)cc1 ZINC000019592981 571019854 /nfs/dbraw/zinc/01/98/54/571019854.db2.gz CSPSOIXALFAOSW-INIZCTEOSA-N 0 0 390.415 0.792 40 0 GCABRN Cn1c2ncn(CCC(=O)N[C@H]3CCOc4ccccc43)c2c(=O)n(C)c1=O ZINC000019660323 571025569 /nfs/dbraw/zinc/02/55/69/571025569.db2.gz DTEAHBZKXNGMSU-ZDUSSCGKSA-N 0 0 383.408 0.464 40 0 GCABRN CN(C)S(=O)(=O)N1CCC[C@@H](c2ncccc2C(=O)N2CCOCC2)C1 ZINC000019709375 571034154 /nfs/dbraw/zinc/03/41/54/571034154.db2.gz TYRYHRWYSHWYFD-CQSZACIVSA-N 0 0 382.486 0.540 40 0 GCABRN Cn1cnc2c1c(=O)n(Cc1nc(C3(c4ccncc4)CCC3)no1)c(=O)n2C ZINC000656032815 1184967856 /nfs/dbraw/zinc/96/78/56/1184967856.db2.gz RPYYLQOMZCXJQM-UHFFFAOYSA-N 0 0 393.407 0.730 40 0 GCABRN C[C@@H]1CC[C@@H]2C(C(=O)O[C@H]3O[C@@H](C)[C@@H](O)[C@H](O)[C@H]3O)=C[C@]3(O)CC(C)(C)C[C@@]123 ZINC001772591803 1186781055 /nfs/dbraw/zinc/78/10/55/1186781055.db2.gz QEZOAVXNNSLPOZ-PJWUOLPUSA-N 0 0 396.480 0.881 40 0 GCABRN COCCN1C(=O)[C@H]2CN(C(=O)Cc3cc(C)no3)CCN2C12CCOCC2 ZINC001772595400 1187053527 /nfs/dbraw/zinc/05/35/27/1187053527.db2.gz SUIIJBWDHXAJNP-MRXNPFEDSA-N 0 0 392.456 0.034 40 0 GCABRN Cc1cc2n(n1)C1(CCN(S(=O)(=O)c3cn(C)cn3)CC1)CC(=O)N2C ZINC001772596233 1187058072 /nfs/dbraw/zinc/05/80/72/1187058072.db2.gz ZXRXDBSSRIHJIN-UHFFFAOYSA-N 0 0 378.458 0.472 40 0 GCABRN NC(=O)C[C@]1(COc2ccc(F)cc2)CN(C(=O)c2cnc(N)s2)CCO1 ZINC000585282907 1189784763 /nfs/dbraw/zinc/78/47/63/1189784763.db2.gz IZKWUMFZZQYRTL-QGZVFWFLSA-N 0 0 394.428 1.030 40 0 GCABRN CC(=O)N[C@@H]1[C@@H](Oc2ccc3ccccc3c2)O[C@@H](CO)[C@@H](O)[C@H]1OC(C)=O ZINC000062725331 1199158262 /nfs/dbraw/zinc/15/82/62/1199158262.db2.gz FRTSLPFLUVGQPA-KNJMJIDISA-N 0 0 389.404 0.733 40 0 GCABRN CC(=O)N[C@@H]1[C@@H](Oc2cccc3ccccc32)O[C@@H](CO)[C@@H](O)[C@H]1OC(C)=O ZINC000062725324 1199158529 /nfs/dbraw/zinc/15/85/29/1199158529.db2.gz BLLDREJCXJOWEZ-KNJMJIDISA-N 0 0 389.404 0.733 40 0 GCABRN CS(=O)(=O)NCC(=O)N1CCO[C@H](c2c3ccccc3sc2C(N)=O)C1 ZINC000019697942 1199838067 /nfs/dbraw/zinc/83/80/67/1199838067.db2.gz RIWGMRTYGMDFPG-NSHDSACASA-N 0 0 397.478 0.449 40 0 GCABRN C[C@H](O)CNC(=O)C(=O)Nc1ccccc1C(=O)NCc1ccc2c(c1)OCO2 ZINC000408709479 231102260 /nfs/dbraw/zinc/10/22/60/231102260.db2.gz BETMIMYJKJGERE-LBPRGKRZSA-N 0 0 399.403 0.781 40 0 GCABRN COCCNS(=O)(=O)c1ccc(OCC(=O)NCCCO)c(Cl)c1 ZINC000408637140 231090144 /nfs/dbraw/zinc/09/01/44/231090144.db2.gz YMDYWTINZGAUKB-UHFFFAOYSA-N 0 0 380.850 0.142 40 0 GCABRN O=C(NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1cccnc1 ZINC000224499473 222657617 /nfs/dbraw/zinc/65/76/17/222657617.db2.gz GEXDGNPRAPTLBK-UHFFFAOYSA-N 0 0 391.449 0.911 40 0 GCABRN CN(C)C(=S)S[C@H]1O[C@@H](CO)[C@@H](SC(=S)N(C)C)O[C@H]1CO ZINC000005339682 530119852 /nfs/dbraw/zinc/11/98/52/530119852.db2.gz NSWFKRMBCOWTSI-AXTSPUMRSA-N 0 0 386.586 0.567 40 0 GCABRN CCN1CCN(S(=O)(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)CC1 ZINC000035311870 530121717 /nfs/dbraw/zinc/12/17/17/530121717.db2.gz YGZFRNXFOLNMGD-UHFFFAOYSA-N 0 0 387.527 0.797 40 0 GCABRN OC[C@H]1O[C@@H](Oc2ccc3cc(Br)ccc3c2)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000012957061 530135336 /nfs/dbraw/zinc/13/53/36/530135336.db2.gz NLRXQZJJCPRATR-RBGFHDKUSA-N 0 0 385.210 0.781 40 0 in-vitro GCABRN CCn1c(CN2CCN(S(=O)(=O)N3CCOCC3)CC2)cnc1SC ZINC000019524183 530146310 /nfs/dbraw/zinc/14/63/10/530146310.db2.gz QMRZTLXNMXQYPA-UHFFFAOYSA-N 0 0 389.547 0.320 40 0 GCABRN O=C(NC1CS(=O)(=O)C1)[C@@H]1CN(Cc2nccs2)CC12CCOCC2 ZINC000585102034 530222937 /nfs/dbraw/zinc/22/29/37/530222937.db2.gz ZRGWRKBKORBYIL-ZDUSSCGKSA-N 0 0 385.511 0.285 40 0 GCABRN O=C(NC[C@H]1CO[C@@H]2CN(S(=O)(=O)C(F)(F)F)C[C@H]12)c1cscn1 ZINC000575403504 530304095 /nfs/dbraw/zinc/30/40/95/530304095.db2.gz FXHBGEOBHAWSRT-QXFUBDJGSA-N 0 0 385.389 0.669 40 0 GCABRN CCNC(=O)c1cc(S(=O)(=O)N2CCN(C(=O)OCC)CC2)cs1 ZINC000006681673 530315255 /nfs/dbraw/zinc/31/52/55/530315255.db2.gz NVZBFIGSWVNZPL-UHFFFAOYSA-N 0 0 375.472 0.961 40 0 GCABRN C[C@@H](NS(=O)(=O)c1ccc(Br)cc1)C(=O)N1CCOCC1 ZINC000006176007 530338004 /nfs/dbraw/zinc/33/80/04/530338004.db2.gz WFLLATULQFUZIG-SNVBAGLBSA-N 0 0 377.260 0.975 40 0 GCABRN CNC(=O)[C@@H]1[C@H](c2ccc(Br)cc2)[C@H](C(=O)NC)C(=O)C[C@]1(C)O ZINC000015105942 530372209 /nfs/dbraw/zinc/37/22/09/530372209.db2.gz VVHUDXYAOJMQET-WVZRYYJFSA-N 0 0 397.269 0.981 40 0 GCABRN Cc1cc2[nH]c(=O)oc2cc1S(=O)(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000223320023 530504035 /nfs/dbraw/zinc/50/40/35/530504035.db2.gz UJBJXDVCKZNDIQ-UHFFFAOYSA-N 0 0 383.407 0.878 40 0 GCABRN CN(C)S(=O)(=O)N(C)CC(=O)Nc1ccc(I)cc1 ZINC000225962351 530508049 /nfs/dbraw/zinc/50/80/49/530508049.db2.gz GXXQPKYRZXESGY-UHFFFAOYSA-N 0 0 397.238 0.968 40 0 GCABRN COCCNC(=O)CNS(=O)(=O)c1ccc(I)cc1 ZINC000033948824 530509375 /nfs/dbraw/zinc/50/93/75/530509375.db2.gz UDGKNOVABIOYEY-UHFFFAOYSA-N 0 0 398.222 0.332 40 0 GCABRN COC(=O)CSc1nnc(NC(=O)[C@H]2CCCN(S(C)(=O)=O)C2)s1 ZINC000223036143 530503188 /nfs/dbraw/zinc/50/31/88/530503188.db2.gz HSWNYPATVUEFHX-QMMMGPOBSA-N 0 0 394.500 0.413 40 0 GCABRN CC(C)c1ccc(S(=O)(=O)N([C@H]2CS(=O)(=O)C[C@@H]2O)N(C)C)cc1 ZINC000575421055 530687649 /nfs/dbraw/zinc/68/76/49/530687649.db2.gz MRFUOPRJMJBGQR-GJZGRUSLSA-N 0 0 376.500 0.435 40 0 GCABRN CCOC(=O)N[C@H]1CS(=O)(=O)C[C@@H]1NS(=O)(=O)c1ccc(CC)cc1 ZINC000575420753 530687946 /nfs/dbraw/zinc/68/79/46/530687946.db2.gz KGUMGWILDTYOFA-KBPBESRZSA-N 0 0 390.483 0.439 40 0 GCABRN CCOC(=O)N[C@H]1CS(=O)(=O)C[C@H]1NS(=O)(=O)c1ccc(CC)cc1 ZINC000575420755 530688085 /nfs/dbraw/zinc/68/80/85/530688085.db2.gz KGUMGWILDTYOFA-UONOGXRCSA-N 0 0 390.483 0.439 40 0 GCABRN O=S1(=O)CC[C@@H](NN(Cc2cccc(F)c2)[C@@H]2CCS(=O)(=O)C2)C1 ZINC000575422372 530688273 /nfs/dbraw/zinc/68/82/73/530688273.db2.gz VDTIWKZFARMBKO-HUUCEWRRSA-N 0 0 376.475 0.507 40 0 GCABRN Cc1ccc(Cl)cc1S(=O)(=O)N(C[C@H](O)CO)[C@@H]1CCS(=O)(=O)C1 ZINC000575426226 530690339 /nfs/dbraw/zinc/69/03/39/530690339.db2.gz OZWLJLYBTLNCPL-OLZOCXBDSA-N 0 0 397.902 0.179 40 0 GCABRN O=C1CN([C@H]2CCS(=O)(=O)C2)c2ccccc2N1[C@H]1CCS(=O)(=O)C1 ZINC000242750289 530943450 /nfs/dbraw/zinc/94/34/50/530943450.db2.gz ZKEJCZHFVAOYCE-STQMWFEESA-N 0 0 384.479 0.214 40 0 GCABRN O=C1CN([C@@H]2CCS(=O)(=O)C2)c2ccccc2N1[C@H]1CCS(=O)(=O)C1 ZINC000242750288 530943589 /nfs/dbraw/zinc/94/35/89/530943589.db2.gz ZKEJCZHFVAOYCE-OLZOCXBDSA-N 0 0 384.479 0.214 40 0 GCABRN Cc1c(Cl)cccc1N(CC(=O)NCCN1CCOCC1)S(C)(=O)=O ZINC000242422414 530998104 /nfs/dbraw/zinc/99/81/04/530998104.db2.gz BJLNTANWTXBDPY-UHFFFAOYSA-N 0 0 389.905 0.863 40 0 GCABRN CNc1ncnc2c1ncn2[C@@H]1CC[C@@H](NC(=O)c2cccc(C)n2)[C@@H](O)[C@@H]1O ZINC000257211727 222755257 /nfs/dbraw/zinc/75/52/57/222755257.db2.gz CADRJPHUDGWUPC-UIBBOPPKSA-N 0 0 397.439 0.427 40 0 GCABRN Cn1cnc(S(=O)(=O)N2Cc3ccnn3[C@@H](CCN3CCCC3=O)C2)c1 ZINC000306132571 222796460 /nfs/dbraw/zinc/79/64/60/222796460.db2.gz LMNKAKFNRZZIIP-AWEZNQCLSA-N 0 0 378.458 0.375 40 0 GCABRN O=C(C[C@@H]1O[C@H](CNC(=O)c2ccccc2)[C@@H](O)[C@H]1O)NCc1cccnc1 ZINC000008627179 291102495 /nfs/dbraw/zinc/10/24/95/291102495.db2.gz OTAPINNUEWCBJA-OGWHTMIXSA-N 0 0 385.420 0.007 40 0 biogenic,in-vitro GCABRN O=C(NCc1ccc(F)cc1)[C@H]1C[N@H+]2CC[C@H]1C[C@@H]2Cn1cc(CCO)nn1 ZINC000008298667 291102498 /nfs/dbraw/zinc/10/24/98/291102498.db2.gz BBDWLIBQDLHGNW-IPELMVKDSA-N 0 0 387.459 0.979 40 0 biogenic,in-vitro GCABRN COC(=O)[C@@H]1CC(=O)N(c2ccccc2N2CCN(S(C)(=O)=O)CC2)C1 ZINC000057327852 212131927 /nfs/dbraw/zinc/13/19/27/212131927.db2.gz BDLDEGJVENZYOT-CYBMUJFWSA-N 0 0 381.454 0.294 40 0 GCABRN Cc1c(Cl)c(C(=O)NCCNC(=O)C(=O)Nc2cccnc2Cl)nn1C ZINC000002733238 209116132 /nfs/dbraw/zinc/11/61/32/209116132.db2.gz ICBQFFGZGNSZBS-UHFFFAOYSA-N 0 0 399.238 0.915 40 0 GCABRN Cc1c(CNC(=O)[C@@H]2CCCN(S(=O)(=O)c3cnn(C)c3C)C2)cnn1C ZINC000002732590 209115945 /nfs/dbraw/zinc/11/59/45/209115945.db2.gz LEXIIHRXPGMPMM-CQSZACIVSA-N 0 0 394.501 0.488 40 0 GCABRN CC1=C[C@H]2O[C@@H]3[C@H](O)[C@@H](O)[C@@](C)([C@]34CO4)[C@@]2(CO)C[C@@H]1OC(=O)CC(C)C ZINC000027639108 206262644 /nfs/dbraw/zinc/26/26/44/206262644.db2.gz DDAUKBBLCGQHIP-CAVDVMKYSA-N 0 0 382.453 0.551 40 0 biogenic,in-vitro GCABRN CC1(C)CN(S(C)(=O)=O)C[C@@H]2CN(C(=O)COc3ccccc3)CCN21 ZINC000253400281 206282582 /nfs/dbraw/zinc/28/25/82/206282582.db2.gz LABNATMBMBEHHE-HNNXBMFYSA-N 0 0 381.498 0.632 40 0 biogenic,in-vitro GCABRN COc1ccccc1NC(=O)Cn1nnc(-c2ccccc2-n2cnnn2)n1 ZINC000001350709 206373943 /nfs/dbraw/zinc/37/39/43/206373943.db2.gz VNCQQBIQUYOZGK-UHFFFAOYSA-N 0 0 377.368 0.963 40 0 GCABRN OC[C@@H]1O[C@@H](n2cnc3c2ncnc3SCc2ccccn2)[C@@H](O)[C@@H]1O ZINC000004823432 206559380 /nfs/dbraw/zinc/55/93/80/206559380.db2.gz MYLPTWRLZBDWTN-YPHNTLSLSA-N 0 0 375.410 0.125 40 0 GCABRN Cc1c([C@@H]2C[C@@H](C(=O)Nc3cc(C)ccc3O)N(C)S(=O)(=O)N2)cnn1C ZINC000012130870 206860151 /nfs/dbraw/zinc/86/01/51/206860151.db2.gz PLTLZSUVCKJCSM-ZFWWWQNUSA-N 0 0 393.469 0.961 40 0 GCABRN CCOc1ccc(S(=O)(=O)N(C)CC(=O)NCCCN2CCOCC2)cc1 ZINC000013633244 206985789 /nfs/dbraw/zinc/98/57/89/206985789.db2.gz DGONHCJMQXETJR-UHFFFAOYSA-N 0 0 399.513 0.544 40 0 GCABRN O=C([C@H]1CCCO1)N1CC[C@@H](c2nc3c(c(=O)[nH]2)CCN(C(=O)C2CC2)C3)C1 ZINC000019014485 207098989 /nfs/dbraw/zinc/09/89/89/207098989.db2.gz FZYOPWFPPFIVCC-CZUORRHYSA-N 0 0 386.452 0.972 40 0 GCABRN CC(=O)N1CCCC[C@H]1c1ncc2c(n1)CCN(C(=O)[C@H]1CC(=O)N(C)C1)C2 ZINC000019017283 207099265 /nfs/dbraw/zinc/09/92/65/207099265.db2.gz XTCSJJIFTXWVDF-YOEHRIQHSA-N 0 0 385.468 0.913 40 0 GCABRN Cc1nc2c(c(=O)[nH]1)CCN(C(=O)[C@H](C)n1ncc3ccccc3c1=O)CC2 ZINC000019286381 207113592 /nfs/dbraw/zinc/11/35/92/207113592.db2.gz KSXRJZZHKIWOSR-LBPRGKRZSA-N 0 0 379.420 0.977 40 0 GCABRN Cn1c2ccc(S(=O)(=O)N3CCC[C@H](CN4CCOCC4)C3)cc2oc1=O ZINC000019289845 207113708 /nfs/dbraw/zinc/11/37/08/207113708.db2.gz YYESRFIFCKZTRW-CQSZACIVSA-N 0 0 395.481 0.864 40 0 GCABRN O=C(NC1CCN(c2ncc3c(n2)CCOC3)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000019292436 207114375 /nfs/dbraw/zinc/11/43/75/207114375.db2.gz JEQXZESSROSFBC-GFCCVEGCSA-N 0 0 380.470 0.069 40 0 GCABRN O=C(CCN1C(=O)COc2ccc(Cl)cc21)NCCC(=O)N1CCOCC1 ZINC000019345937 207116152 /nfs/dbraw/zinc/11/61/52/207116152.db2.gz IPNFWLBJIDAXCA-UHFFFAOYSA-N 0 0 395.843 0.821 40 0 GCABRN CC1CCN(c2nc(CNC(=O)C[C@H]3CCS(=O)(=O)C3)cc(=O)[nH]2)CC1 ZINC000019497052 207125336 /nfs/dbraw/zinc/12/53/36/207125336.db2.gz DAMDQJBOKLSJLY-CYBMUJFWSA-N 0 0 382.486 0.447 40 0 GCABRN C[C@H](NC(=O)[C@@H]1CCS(=O)(=O)C1)c1cc(=O)[nH]c(N2CCC(C)CC2)n1 ZINC000019496992 207125851 /nfs/dbraw/zinc/12/58/51/207125851.db2.gz KRVHYVRLFMFMQY-QWHCGFSZSA-N 0 0 382.486 0.618 40 0 GCABRN CCCC(=O)N1CCC[C@H]1c1nc2c(c(=O)[nH]1)CCN(S(=O)(=O)N(C)C)C2 ZINC000019501339 207126913 /nfs/dbraw/zinc/12/69/13/207126913.db2.gz YKIMDFXANBGTRF-AWEZNQCLSA-N 0 0 397.501 0.398 40 0 GCABRN CCS(=O)(=O)N1CCN(Cc2cn(CC(N)=O)c3ccc(OC)cc23)CC1 ZINC000019520374 207127173 /nfs/dbraw/zinc/12/71/73/207127173.db2.gz XLVSFDRBXGWZBX-UHFFFAOYSA-N 0 0 394.497 0.603 40 0 GCABRN COc1ccc(S(=O)(=O)N2CCN(C(=O)CCc3nc(C)no3)CC2)cc1 ZINC000019665207 207147670 /nfs/dbraw/zinc/14/76/70/207147670.db2.gz CYGQGGKILJENAP-UHFFFAOYSA-N 0 0 394.453 0.852 40 0 GCABRN CN(C)c1ncc(C(=O)N[C@@H]2CCCN(c3ncc4c(n3)CCOC4)C2)cn1 ZINC000019585443 207140271 /nfs/dbraw/zinc/14/02/71/207140271.db2.gz ZXPRXFRAUXVZOW-OAHLLOKOSA-N 0 0 383.456 0.804 40 0 GCABRN CNc1nc([C@@H]2CCCCN2C(C)=O)nc2c1CN(S(=O)(=O)N(C)C)CC2 ZINC000019711596 207152411 /nfs/dbraw/zinc/15/24/11/207152411.db2.gz OCXYHYBASGOCPY-HNNXBMFYSA-N 0 0 396.517 0.756 40 0 GCABRN O=C([C@@H]1CC(=O)N(C2CCCC2)C1)N1CCC(c2nnc3n2CCNC3)CC1 ZINC000019711267 207152463 /nfs/dbraw/zinc/15/24/63/207152463.db2.gz LWIBFIKDTXWXRW-OAHLLOKOSA-N 0 0 386.500 0.878 40 0 GCABRN O=CN1CCN(C(=O)C2CCN(S(=O)(=O)Cc3ccccc3)CC2)CC1 ZINC000019867631 207168354 /nfs/dbraw/zinc/16/83/54/207168354.db2.gz RDSIUZIRZFLQNS-UHFFFAOYSA-N 0 0 379.482 0.529 40 0 GCABRN COc1ccc(CCNC(=O)C(=O)NCCCN2CCOCC2)cc1OC ZINC000019831575 207164919 /nfs/dbraw/zinc/16/49/19/207164919.db2.gz LOCGJGZRQWDEJH-UHFFFAOYSA-N 0 0 379.457 0.201 40 0 GCABRN CCN(c1ccc(OCC(=O)NCCCN2CCOCC2)cc1)S(C)(=O)=O ZINC000019937809 207172070 /nfs/dbraw/zinc/17/20/70/207172070.db2.gz DNAYQSLUEMYNLC-UHFFFAOYSA-N 0 0 399.513 0.690 40 0 GCABRN NC(=O)C1CCN(C(=O)CCc2ccc(S(=O)(=O)NC3CC3)cc2)CC1 ZINC000019930659 207172213 /nfs/dbraw/zinc/17/22/13/207172213.db2.gz CWEYBSJGUUYQDG-UHFFFAOYSA-N 0 0 379.482 0.784 40 0 GCABRN CC(C)NS(=O)(=O)c1ccc(CCNC(=O)C(=O)NC[C@@H]2CCCO2)cc1 ZINC000022228441 207249765 /nfs/dbraw/zinc/24/97/65/207249765.db2.gz RZZMUKYWFRHUAS-HNNXBMFYSA-N 0 0 397.497 0.327 40 0 GCABRN COc1ccccc1N1C(SCC(=O)N(C)C)=N[C@H]2CS(=O)(=O)C[C@@H]21 ZINC000032639822 207398501 /nfs/dbraw/zinc/39/85/01/207398501.db2.gz ADXQAJNRXXOCJP-AAEUAGOBSA-N 0 0 383.495 0.858 40 0 GCABRN CO[C@@H]1O[C@@H]2CC[C@H]3[C@H]2[C@@H]2[C@@H]4[C@@H]5[C@@H]6[C@H]7[C@H](CC[C@@H]7[C@@H]5[C@@]21O)O[C@@H](OC)[C@]6(O)[C@H]43 ZINC000104288795 532972646 /nfs/dbraw/zinc/97/26/46/532972646.db2.gz RJJXWMZYJXNNPT-DKOCAHRMSA-N 0 0 390.476 0.995 40 0 GCABRN CCN1CC[C@@]2(CN(C(C)=O)CC23CCN(S(=O)(=O)C2CC2)CC3)C1=O ZINC000096036517 208254624 /nfs/dbraw/zinc/25/46/24/208254624.db2.gz FRLSPJWCUDJEAH-GOSISDBHSA-N 0 0 383.514 0.662 40 0 GCABRN CCS(=O)(=O)N1CCC2(CC1)C(=O)N(Cc1csc(C)n1)CCN2C ZINC000096050119 208255395 /nfs/dbraw/zinc/25/53/95/208255395.db2.gz VAQUQGUHHHKJRX-UHFFFAOYSA-N 0 0 386.543 0.910 40 0 GCABRN CCN(CC)C(=O)[C@@H]1Cn2ccnc2C2(CCN(S(=O)(=O)C3CC3)CC2)O1 ZINC000096036905 208256170 /nfs/dbraw/zinc/25/61/70/208256170.db2.gz JFXSGQBWYZJDAU-HNNXBMFYSA-N 0 0 396.513 0.934 40 0 GCABRN Cc1cnc(CNC(=O)C2=NO[C@@]3(CCN(S(=O)(=O)C4CC4)C3)C2)cn1 ZINC000096074559 208259426 /nfs/dbraw/zinc/25/94/26/208259426.db2.gz LKQYSIDEHZMLDZ-INIZCTEOSA-N 0 0 379.442 0.114 40 0 GCABRN CCS(=O)(=O)N1CC2(CCN(C(=O)CNC(C)=O)CC2)c2ccccc21 ZINC000096078889 208260899 /nfs/dbraw/zinc/26/08/99/208260899.db2.gz KEVPBCHEYNFBSC-UHFFFAOYSA-N 0 0 379.482 0.853 40 0 GCABRN Cc1cnc(CNC(=O)C2=NO[C@@]3(CCN(C(=O)c4cscn4)C3)C2)cn1 ZINC000096225945 208289519 /nfs/dbraw/zinc/28/95/19/208289519.db2.gz AYDQWHKGICEBEW-KRWDZBQOSA-N 0 0 386.437 0.919 40 0 GCABRN CC(C)NC(=O)[C@H]1Cn2ccnc2C2(CCN(C(=O)c3cnccn3)CC2)O1 ZINC000096243652 208292148 /nfs/dbraw/zinc/29/21/48/208292148.db2.gz BLGQHAUEIRSGCF-OAHLLOKOSA-N 0 0 384.440 0.728 40 0 GCABRN Cn1c2nc(NC[C@H]3CCCO3)n(CC(=O)c3ccccc3)c2c(=O)[nH]c1=O ZINC000096306418 208304824 /nfs/dbraw/zinc/30/48/24/208304824.db2.gz QCXYYDHRIPICNX-CYBMUJFWSA-N 0 0 383.408 0.897 40 0 GCABRN C[C@H]1[C@H](NC(=O)CSc2nc3c([nH]2)n(C)c(=O)n(C)c3=O)CCC[C@@H]1C ZINC000100986171 208386166 /nfs/dbraw/zinc/38/61/66/208386166.db2.gz DWUBVTFHAOGKPT-HBNTYKKESA-N 0 0 379.486 0.993 40 0 GCABRN COc1ccc(S(=O)(=O)NCC(=O)Nc2ccc(C(N)=O)cc2)cc1OC ZINC000409119324 533055879 /nfs/dbraw/zinc/05/58/79/533055879.db2.gz SXYRLMGELGEIEE-UHFFFAOYSA-N 0 0 393.421 0.720 40 0 GCABRN CCN1C[C@@]23CN(C(=O)NCCc4ccccc4)C[C@@H](C[C@@H]2S1(=O)=O)O3 ZINC000107185297 208436246 /nfs/dbraw/zinc/43/62/46/208436246.db2.gz AUSSVCANYQWOSH-RYRKJORJSA-N 0 0 379.482 0.816 40 0 GCABRN Cc1ccnc(OC[C@@H]2CCS(=O)(=O)C23CN(C(=O)c2cc[nH]n2)C3)n1 ZINC000306137986 209104847 /nfs/dbraw/zinc/10/48/47/209104847.db2.gz RLTGFOXFNXGAHX-LBPRGKRZSA-N 0 0 377.426 0.216 40 0 GCABRN CC(C)CNC(=O)C1CCN(S(=O)(=O)c2ccc(-n3cnnn3)cc2)CC1 ZINC000001357700 208494737 /nfs/dbraw/zinc/49/47/37/208494737.db2.gz XFEUFEBROZJGDO-UHFFFAOYSA-N 0 0 392.485 0.835 40 0 GCABRN COCCNC(=O)CN(C[C@H]1CCCO1)C(=O)CCC(=O)Nc1ccccn1 ZINC000004848298 208546107 /nfs/dbraw/zinc/54/61/07/208546107.db2.gz KTCVBLHCGVCKDG-OAHLLOKOSA-N 0 0 392.456 0.571 40 0 GCABRN CSc1nnc(COc2ccccc2)n1NC(=O)CSc1nncn1N ZINC000409199500 533088876 /nfs/dbraw/zinc/08/88/76/533088876.db2.gz ODXMUVNLWHWXFV-UHFFFAOYSA-N 0 0 392.470 0.747 40 0 GCABRN Cc1nc[nH]c1C(=O)N1CC2(C1)[C@@H](COc1nccc(C)n1)CCS2(=O)=O ZINC000306135329 209103724 /nfs/dbraw/zinc/10/37/24/209103724.db2.gz ONSKPCVHFRMWJR-CYBMUJFWSA-N 0 0 391.453 0.525 40 0 GCABRN Cc1cc(C(=O)N2CCO[C@@H](Cn3nnc4c3ncnc4N3CCCC3)C2)no1 ZINC000306131397 209102925 /nfs/dbraw/zinc/10/29/25/209102925.db2.gz KDJCONBQWLVCII-CYBMUJFWSA-N 0 0 398.427 0.659 40 0 GCABRN Cn1cnc(S(=O)(=O)N2Cc3ccnn3[C@H](CCN3CCCC3=O)C2)c1 ZINC000306132572 209102278 /nfs/dbraw/zinc/10/22/78/209102278.db2.gz LMNKAKFNRZZIIP-CQSZACIVSA-N 0 0 378.458 0.375 40 0 GCABRN CC[C@@H](C)CNC(=O)c1cn2c(nc1=O)[C@@]1(CC2)CCN(S(C)(=O)=O)C1 ZINC000306132630 209102215 /nfs/dbraw/zinc/10/22/15/209102215.db2.gz LOBJEYVVGQLBRA-PXAZEXFGSA-N 0 0 382.486 0.326 40 0 GCABRN COc1ccc(OC[C@@H](O)Cn2c3c([nH]c2=S)n(C)c(=O)n(C)c3=O)cc1 ZINC000100619030 208707018 /nfs/dbraw/zinc/70/70/18/208707018.db2.gz ZIYIZNJURNYGFB-JTQLQIEISA-N 0 0 392.437 0.171 40 0 GCABRN COC(=O)[C@]1(CCSC)N[C@H](c2ccc(O)cc2)[C@H]2C(=O)N(C)C(=O)[C@H]21 ZINC000019586853 208805580 /nfs/dbraw/zinc/80/55/80/208805580.db2.gz NUBVHDVGVPFZKT-UYAYXHRUSA-N 0 0 378.450 0.932 40 0 GCABRN COC(=O)CSc1nnc(NC(=O)[C@@H]2CCCN(S(C)(=O)=O)C2)s1 ZINC000223036087 208891679 /nfs/dbraw/zinc/89/16/79/208891679.db2.gz HSWNYPATVUEFHX-MRVPVSSYSA-N 0 0 394.500 0.413 40 0 GCABRN CN(C)S(=O)(=O)N1CCC[C@@H](C(=O)NC[C@@H]2COc3ccccc3O2)C1 ZINC000225265135 208945852 /nfs/dbraw/zinc/94/58/52/208945852.db2.gz RFUYZJVCQGFMEU-ZIAGYGMSSA-N 0 0 383.470 0.461 40 0 GCABRN COc1ccc(S(=O)(=O)N(C)CC(=O)NCCSc2nc[nH]n2)cc1 ZINC000226035269 208986332 /nfs/dbraw/zinc/98/63/32/208986332.db2.gz HPEIVOOAYLGQJU-UHFFFAOYSA-N 0 0 385.471 0.342 40 0 GCABRN CS(=O)(=O)N1CCC[C@H](c2nc(C(=O)NCCCCO)c3ccccn32)C1 ZINC000306126564 209096795 /nfs/dbraw/zinc/09/67/95/209096795.db2.gz DYZCNQYAHFHBDU-AWEZNQCLSA-N 0 0 394.497 0.976 40 0 GCABRN Cn1cc(C(=O)N2CC[C@@]3(C2)CN(C)S(=O)(=O)c2ccccc2O3)cn1 ZINC000306123402 209095210 /nfs/dbraw/zinc/09/52/10/209095210.db2.gz AMCVGVWEKUAYCS-KRWDZBQOSA-N 0 0 376.438 0.718 40 0 GCABRN CO[C@@H]1O[C@H]([C@@H](OC(C)=O)[C@@H](C)OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000005047995 220818574 /nfs/dbraw/zinc/81/85/74/220818574.db2.gz SNCROMAUUJJJEB-QLHNQVCCSA-N 0 0 376.358 0.104 40 0 GCABRN COC(=O)C1CCN(C(=O)CCN2C(=O)c3ccccc3S2(=O)=O)CC1 ZINC000005272519 220854642 /nfs/dbraw/zinc/85/46/42/220854642.db2.gz UAUTVEUQBRGCIP-UHFFFAOYSA-N 0 0 380.422 0.633 40 0 GCABRN COC(=O)[C@@H](NC(=O)Cc1ccccc1)[C@H]1N[C@H](C(=O)OC)C(C)(C)S1 ZINC000096592329 209016246 /nfs/dbraw/zinc/01/62/46/209016246.db2.gz FPWXVXUCFHACJJ-ZNMIVQPWSA-N 0 0 380.466 0.870 40 0 GCABRN Cn1cnc(S(=O)(=O)N2C[C@@H]3OC[C@H](CCOc4ccccn4)[C@@H]3C2)c1 ZINC000248009033 209030388 /nfs/dbraw/zinc/03/03/88/209030388.db2.gz DENMOIKNAKOMKG-KKUMJFAQSA-N 0 0 378.454 0.920 40 0 GCABRN NC(=O)COc1ccc(Br)cc1/C=c1\sc2ncnn2c1=O ZINC000256055759 209046313 /nfs/dbraw/zinc/04/63/13/209046313.db2.gz SDYPBAUJXYYLCH-WMZJFQQLSA-N 0 0 381.211 0.325 40 0 GCABRN CC(C)(C)OC(=O)N1CCN(C(=O)c2ccccn2)[C@@H]2CS(=O)(=O)C[C@@H]21 ZINC000253495504 209043279 /nfs/dbraw/zinc/04/32/79/209043279.db2.gz GVEXXDUPPZYNII-KGLIPLIRSA-N 0 0 381.454 0.940 40 0 GCABRN CNC(=O)[C@@H]1CN(C(=O)Cn2c(COC)nc3ccccc32)CCN1C(C)C ZINC000257214599 209057156 /nfs/dbraw/zinc/05/71/56/209057156.db2.gz CMPIJHWOGLNLQA-KRWDZBQOSA-N 0 0 387.484 0.850 40 0 GCABRN CCOC(=O)C1=C(COC(=O)[C@H]2CS[C@@]3(C)CCC(=O)N23)NC(=O)N[C@@H]1C ZINC000006886638 220974973 /nfs/dbraw/zinc/97/49/73/220974973.db2.gz ZHZZSPRGEDCAEZ-BHOZQUNFSA-N 0 0 397.453 0.502 40 0 GCABRN CCOC(=O)[C@@H]1C([O-])=NC(N2CCN(C=O)CC2)=[NH+][C@@H]1c1ccccc1OC ZINC000010157520 221097978 /nfs/dbraw/zinc/09/79/78/221097978.db2.gz PPHVVEQAOZKDNK-JKSUJKDBSA-N 0 0 388.424 0.175 40 0 GCABRN COCCNC(=O)c1cn(C[C@H]2CCCN(C(=O)c3oc(C)nc3C)C2)nn1 ZINC000012141958 221157116 /nfs/dbraw/zinc/15/71/16/221157116.db2.gz GGLKLUYHDJKNNK-AWEZNQCLSA-N 0 0 390.444 0.812 40 0 GCABRN Cc1nn(C)cc1[C@@H]1C[C@H](C(=O)Nc2cccnc2Cl)N(C)S(=O)(=O)N1 ZINC000012131235 221158120 /nfs/dbraw/zinc/15/81/20/221158120.db2.gz WYPANGDBBIBPBM-QWHCGFSZSA-N 0 0 398.876 0.995 40 0 GCABRN Cc1cc2ccccc2n2c(=O)n(CCNC(=O)CN3C(=O)CCC3=O)nc12 ZINC000012146374 221158383 /nfs/dbraw/zinc/15/83/83/221158383.db2.gz OOGUMRLMVWEYLN-UHFFFAOYSA-N 0 0 381.392 0.223 40 0 GCABRN CC(C)[C@H](NC(=O)[C@H]1CCCN1C(=O)OC(C)(C)C)C(=O)N[C@@H](C)C(N)=O ZINC000012342559 221184092 /nfs/dbraw/zinc/18/40/92/221184092.db2.gz ORPWHDPCKJWVIC-XQQFMLRXSA-N 0 0 384.477 0.517 40 0 GCABRN COCCN1C(=S)N=NC1c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000013534630 221271546 /nfs/dbraw/zinc/27/15/46/221271546.db2.gz RHWXVXDJQTWQMU-UHFFFAOYSA-N 0 0 384.483 0.901 40 0 GCABRN CS(=O)(=O)N(CC(=O)N1CCN(C=O)CC1)c1ccc(F)c(Cl)c1 ZINC000013669149 221279868 /nfs/dbraw/zinc/27/98/68/221279868.db2.gz RSOVIFLNVSOUIZ-UHFFFAOYSA-N 0 0 377.825 0.546 40 0 GCABRN O=C(COC(=O)CCC(=O)OCC(=O)NCc1ccco1)NCc1ccco1 ZINC000013999704 221295539 /nfs/dbraw/zinc/29/55/39/221295539.db2.gz KJPOXDZEFJRGRD-UHFFFAOYSA-N 0 0 392.364 0.672 40 0 GCABRN C[C@@H](Oc1ccc(S(=O)(=O)N2CCOCC2)cc1)C(=O)N1CCOCC1 ZINC000016322241 221360859 /nfs/dbraw/zinc/36/08/59/221360859.db2.gz YQKBUPBGLLDBNB-CQSZACIVSA-N 0 0 384.454 0.334 40 0 GCABRN Cc1[nH]c(=O)[nH]c(=O)c1C=CC(=O)N[C@@H](CO)CSCc1ccccc1 ZINC000017042487 221376108 /nfs/dbraw/zinc/37/61/08/221376108.db2.gz PVVOXOJGFNXJJC-DANTVBBOSA-N 0 0 375.450 0.795 40 0 GCABRN COCCNC(=O)CN1CCCC[C@@H]1c1ncc2c(n1)CCN(C(C)=O)C2 ZINC000019018252 221394159 /nfs/dbraw/zinc/39/41/59/221394159.db2.gz RJVRVJVYMSPTTP-QGZVFWFLSA-N 0 0 375.473 0.671 40 0 GCABRN Cc1ccc(C(=O)N[C@@H]2CCCN(c3ncc4c(n3)CCOC4)C2)c(=O)n1C ZINC000019131751 221397901 /nfs/dbraw/zinc/39/79/01/221397901.db2.gz QKZDIKSGSLEMDA-OAHLLOKOSA-N 0 0 383.452 0.955 40 0 GCABRN Cn1c(=O)cc(C(=O)NC[C@H](c2ccc(Cl)cc2)N2CCOCC2)[nH]c1=O ZINC000019714451 221445235 /nfs/dbraw/zinc/44/52/35/221445235.db2.gz HPZZSLIDOZVLKF-OAHLLOKOSA-N 0 0 392.843 0.530 40 0 GCABRN CCN(CC(=O)N1CCC(C(N)=O)CC1)S(=O)(=O)c1ccc(OC)c(C)c1 ZINC000019929814 221465533 /nfs/dbraw/zinc/46/55/33/221465533.db2.gz ULPSCKBCGUOCHJ-UHFFFAOYSA-N 0 0 397.497 0.738 40 0 GCABRN CC(=O)N1[C@H]2C[C@@]3(C)[C@@H]1CCCC[C@H]3N(C(=O)c1cc(=O)n(C)c(=O)n1C)C2 ZINC000257292885 209068145 /nfs/dbraw/zinc/06/81/45/209068145.db2.gz QNIXIOLVTGCRBE-NCLAMWEWSA-N 0 0 388.468 0.478 40 0 GCABRN O=C(Cn1nc2c(N3CCOCC3)nccn2c1=O)NCCC1=CCCCC1 ZINC000049400006 132436924 /nfs/dbraw/zinc/43/69/24/132436924.db2.gz HWMABOOADPAOQD-UHFFFAOYSA-N 0 0 386.456 0.734 40 0 GCABRN CN(C)c1cccc(C(=O)N2CCc3c(nc(N4CCOCC4)[nH]c3=O)C2)c1 ZINC000072389517 136169175 /nfs/dbraw/zinc/16/91/75/136169175.db2.gz HPPFCVCCKFFXFW-UHFFFAOYSA-N 0 0 383.452 0.871 40 0 GCABRN CN1CCN(c2ncccn2)C[C@@H]1c1nnc2ccc(C(=O)NC3CC3)cn21 ZINC000096156679 136184655 /nfs/dbraw/zinc/18/46/55/136184655.db2.gz SHJCACZIMQMYCK-OAHLLOKOSA-N 0 0 378.440 0.905 40 0 GCABRN CNC(=O)N1C[C@@H]2c3nc(N4CCC[C@H](C)C4)ncc3CS(=O)(=O)[C@@H]2C1 ZINC000096252037 136185668 /nfs/dbraw/zinc/18/56/68/136185668.db2.gz AUKNDJOAGIAKLM-FPMFFAJLSA-N 0 0 379.486 0.749 40 0 GCABRN Cc1nc(N2CCOCC2)nc2c1COC[C@]21CCN(S(=O)(=O)C2CC2)C1 ZINC000096244618 136185675 /nfs/dbraw/zinc/18/56/75/136185675.db2.gz MZHFKCJKKAIPAR-GOSISDBHSA-N 0 0 394.497 0.588 40 0 GCABRN CC(C)NC(=O)NC[C@H]1O[C@@H](CO)[C@@H](O)[C@H]1N1CCN(c2ccccc2)CC1 ZINC000020464894 136202671 /nfs/dbraw/zinc/20/26/71/136202671.db2.gz SJNRGGUARKTRLA-YDZRNGNQSA-N 0 0 392.500 0.005 40 0 biogenic,in-vitro GCABRN CCS(=O)(=O)N1C[C@H](C(=O)NCCN2CCOCC2)Oc2ccccc21 ZINC000218787556 136203786 /nfs/dbraw/zinc/20/37/86/136203786.db2.gz TUOVSZLPMQXMRK-MRXNPFEDSA-N 0 0 383.470 0.052 40 0 GCABRN CCS(=O)(=O)N1C[C@@H](C(=O)NCCN2CCOCC2)Oc2ccccc21 ZINC000218787474 136203851 /nfs/dbraw/zinc/20/38/51/136203851.db2.gz TUOVSZLPMQXMRK-INIZCTEOSA-N 0 0 383.470 0.052 40 0 GCABRN CC(=O)N1C[C@@H]2C[C@@]3(C)[C@H](CCC[C@@H]13)N2C(=O)CNC(=O)c1cncc(O)c1 ZINC000257313649 209074120 /nfs/dbraw/zinc/07/41/20/209074120.db2.gz UTMVEQYEXZOXNI-DZIWXPPMSA-N 0 0 386.452 0.907 40 0 GCABRN Cn1cc(N)cc1C(=O)Nc1cc(C(=O)NCCN2CCSCC2)n(C)c1 ZINC000263618655 209081493 /nfs/dbraw/zinc/08/14/93/209081493.db2.gz UWAYYMBLBSACPR-UHFFFAOYSA-N 0 0 390.513 0.977 40 0 GCABRN COc1ccc(S(=O)(=O)N2CCC(C(N)=O)CC2)cc1N1CCCC1=O ZINC000022522464 221562625 /nfs/dbraw/zinc/56/26/25/221562625.db2.gz FQQPPRFSYKWBQZ-UHFFFAOYSA-N 0 0 381.454 0.708 40 0 GCABRN O=c1c2cnc3ncnn3c2ccn1N1CN(Cc2ccccc2)CNC1=S ZINC000022606887 221563904 /nfs/dbraw/zinc/56/39/04/221563904.db2.gz GLAVKFZLMDJYOK-UHFFFAOYSA-N 0 0 392.448 0.683 40 0 GCABRN CC(=O)NCCc1ccc(S(=O)(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1 ZINC000055546077 222023381 /nfs/dbraw/zinc/02/33/81/222023381.db2.gz POGSJWJIKABPOZ-UHFFFAOYSA-N 0 0 397.478 0.813 40 0 GCABRN CO[C@H]1O[C@H]2COc3ccccc3O[C@@H]2[C@@H](NC(N)=N[N+](=O)[O-])[C@H]1OS ZINC000050446512 222002252 /nfs/dbraw/zinc/00/22/52/222002252.db2.gz CSBCQUWSSICCAO-OFTGVCEQSA-N 0 0 386.386 0.102 40 0 GCABRN Cc1c([C@H]2C[C@@H](C(=O)NCCc3ccccc3)N(C)S(=O)(=O)N2)cnn1C ZINC000072335090 222229695 /nfs/dbraw/zinc/22/96/95/222229695.db2.gz PFQOIUFLEYRMNC-SJORKVTESA-N 0 0 391.497 0.667 40 0 GCABRN COc1cccc([C@@H]2C[C@H](C(=O)N3CCN(C)CC3)N(C)S(=O)(=O)N2)c1 ZINC000072334999 222230680 /nfs/dbraw/zinc/23/06/80/222230680.db2.gz WDDNQMABZDOAIL-JKSUJKDBSA-N 0 0 382.486 0.049 40 0 GCABRN O=C(CN1CCCC1=O)N1CCC[C@H]([C@@H]2Nc3ccccc3S(=O)(=O)N2)C1 ZINC000072342568 222231946 /nfs/dbraw/zinc/23/19/46/222231946.db2.gz AQZAXVNKFZXTFE-SCLBCKFNSA-N 0 0 392.481 0.578 40 0 GCABRN Cn1cc(C(=O)N2CCCC[C@H]2c2ccc3c(=O)n(C)c(=O)n(C)c3n2)cn1 ZINC000072374614 222242265 /nfs/dbraw/zinc/24/22/65/222242265.db2.gz KHGRDZVHCPNKIK-HNNXBMFYSA-N 0 0 382.424 0.733 40 0 GCABRN CCN1CC[C@@]2(CN(S(C)(=O)=O)CC23CCN(C(=O)N(C)C)CC3)C1=O ZINC000096036563 222372231 /nfs/dbraw/zinc/37/22/31/222372231.db2.gz VALSPKBTBFMAQU-QGZVFWFLSA-N 0 0 386.518 0.264 40 0 GCABRN CCN1C[C@]2(CC1=O)CN(C(=O)C(C)C)CCN(C(=O)C1CCOCC1)C2 ZINC000096036204 222372767 /nfs/dbraw/zinc/37/27/67/222372767.db2.gz OFXVLKAPQQFBEC-HXUWFJFHSA-N 0 0 379.501 0.978 40 0 GCABRN CCN(CC)C(=O)[C@H]1Cn2ccnc2C2(CCN(S(=O)(=O)C3CC3)CC2)O1 ZINC000096036906 222373287 /nfs/dbraw/zinc/37/32/87/222373287.db2.gz JFXSGQBWYZJDAU-OAHLLOKOSA-N 0 0 396.513 0.934 40 0 GCABRN C[C@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)NCCN1CCOCC1 ZINC000408593368 533968552 /nfs/dbraw/zinc/96/85/52/533968552.db2.gz NKLHKQMJZJLXSV-HNNXBMFYSA-N 0 0 391.493 0.955 40 0 GCABRN O=C(COc1ccc(S(=O)(=O)NCCc2ccccc2)cc1)NCCO ZINC000409138966 534626439 /nfs/dbraw/zinc/62/64/39/534626439.db2.gz KNWNUJRVTMVIAN-UHFFFAOYSA-N 0 0 378.450 0.695 40 0 GCABRN O=C(CC[C@@H]1CNC(=O)[C@@H]2C[C@H](NC(=S)NC3CC3)CN21)N1CCCCC1 ZINC000015708542 526561306 /nfs/dbraw/zinc/56/13/06/526561306.db2.gz YQGZHARZEAWRET-XHSDSOJGSA-N 0 0 393.557 0.347 40 0 biogenic,in-vitro GCABRN CCCNC(=O)c1ncn2c1CN(CC(=O)NC)S(=O)(=O)c1ccccc1-2 ZINC000105201462 528470007 /nfs/dbraw/zinc/47/00/07/528470007.db2.gz GPPBJZQROGIACQ-UHFFFAOYSA-N 0 0 391.453 0.262 40 0 GCABRN CCCNS(=O)(=O)c1ccc(CCC(=O)NCCN2CCOCC2)cc1 ZINC000408597946 528531057 /nfs/dbraw/zinc/53/10/57/528531057.db2.gz WXWDYIOVPMXXPD-UHFFFAOYSA-N 0 0 383.514 0.756 40 0 GCABRN CCCCNS(=O)(=O)c1ccc(OCC(=O)N2CCC(C(N)=O)CC2)cc1 ZINC000408558294 528554327 /nfs/dbraw/zinc/55/43/27/528554327.db2.gz QYOMNPQXJWHBOC-UHFFFAOYSA-N 0 0 397.497 0.868 40 0 GCABRN CCN1CCN(S(=O)(=O)c2ccc(C)c(C(=O)N3CCOCC3)c2)CC1 ZINC000408624444 529150340 /nfs/dbraw/zinc/15/03/40/529150340.db2.gz QGPMTJFZONKTHR-UHFFFAOYSA-N 0 0 381.498 0.794 40 0 GCABRN O=C(c1cccnc1)N1C[C@H]2C[C@@H](O)CN2C2(CN(Cc3nccs3)C2)C1 ZINC000514290224 560030449 /nfs/dbraw/zinc/03/04/49/560030449.db2.gz VHCFKIIKSVHWBX-HZPDHXFCSA-N 0 0 385.493 0.684 40 0 biogenic,in-vitro GCABRN CC(=O)NCCC(=O)N1C[C@@H]2C[C@@H](O)CN2C2(CN(Cc3ccccc3)C2)C1 ZINC000514290080 560031043 /nfs/dbraw/zinc/03/10/43/560031043.db2.gz SMKHEEFZPGNSQZ-RBUKOAKNSA-N 0 0 386.496 0.045 40 0 biogenic,in-vitro GCABRN CC(=O)N1CCCN(C[C@@H]2OC[C@H](NC(=O)Nc3ccc(F)cc3)[C@H]2O)CC1 ZINC000514288564 560034537 /nfs/dbraw/zinc/03/45/37/560034537.db2.gz IDODQWNVQJWTAA-OKZBNKHCSA-N 0 0 394.447 0.630 40 0 biogenic,in-vitro GCABRN COCC(=O)NC[C@@]1(COc2ccc(C(F)(F)F)cn2)C[C@@H](O)[C@@H](O)C1 ZINC000107430271 560044954 /nfs/dbraw/zinc/04/49/54/560044954.db2.gz YGDFAYZZLJLKKP-JJLQDPRZSA-N 0 0 378.347 0.744 40 0 biogenic,in-vitro GCABRN COCC(=O)NC[C@H]1OC[C@@H](N(Cc2ccccn2)Cc2ccccn2)[C@@H]1O ZINC000077263713 560046551 /nfs/dbraw/zinc/04/65/51/560046551.db2.gz MISBBAFNUMSYDP-GGPKGHCWSA-N 0 0 386.452 0.370 40 0 biogenic,in-vitro GCABRN COc1cc(NC(=S)N[C@H]2CO[C@@H]3[C@H](OCC(N)=O)CO[C@H]23)cc(OC)c1 ZINC000003841704 560190110 /nfs/dbraw/zinc/19/01/10/560190110.db2.gz OENQESMOTAIALW-SJXGUFTOSA-N 0 0 397.453 0.027 40 0 biogenic,in-vitro GCABRN CCNC(=O)O[C@@H]1CO[C@@H]2[C@@H](NC(=O)c3cccc(C(=O)OC)c3)CO[C@H]12 ZINC000004259143 560197949 /nfs/dbraw/zinc/19/79/49/560197949.db2.gz FVDQLCNFSWKIAG-GBJTYRQASA-N 0 0 378.381 0.484 40 0 biogenic,in-vitro GCABRN O=C(N[C@H]1CO[C@H]2[C@@H]1OC[C@@H]2n1nnnc1-c1ccc2c(c1)OCO2)C1CC1 ZINC000004270561 560198082 /nfs/dbraw/zinc/19/80/82/560198082.db2.gz KOZAIKDLYVKBCX-YXAMBPQSSA-N 0 0 385.380 0.302 40 0 biogenic,in-vitro GCABRN COC(=O)[C@@H]1CN(S(=O)(=O)c2cccs2)CCN1C(=O)c1cccnc1 ZINC000004270710 560198147 /nfs/dbraw/zinc/19/81/47/560198147.db2.gz IFKMUTGKDFWYKR-ZDUSSCGKSA-N 0 0 395.462 0.831 40 0 biogenic,in-vitro GCABRN CS(=O)(=O)N[C@H]1CO[C@H]2[C@@H]1OC[C@@H]2Nc1nccc(-c2cccc(F)c2)n1 ZINC000005440319 560202126 /nfs/dbraw/zinc/20/21/26/560202126.db2.gz SQPYOHUCBSPNES-CAOSSQGBSA-N 0 0 394.428 0.779 40 0 biogenic,in-vitro GCABRN Cc1ccc(=O)n(CC(=O)N2CCO[C@@H](C(=O)N3CCc4ccccc4C3)C2)n1 ZINC000019747781 570213936 /nfs/dbraw/zinc/21/39/36/570213936.db2.gz MWGSQBJLTNBHFS-GOSISDBHSA-N 0 0 396.447 0.364 40 0 GCABRN CC(=O)N[C@H]1[C@@H](OCc2ccccc2)O[C@@H](CO)[C@@H](OC(C)=O)[C@H]1OC(C)=O ZINC000004303675 570218581 /nfs/dbraw/zinc/21/85/81/570218581.db2.gz RHHNTCYTVQANIZ-JKEDJMADSA-N 0 0 395.408 0.289 40 0 GCABRN COCC(=O)N1CCC2(CC1)O[C@H](C(=O)NCc1cccnc1)Cn1ccnc12 ZINC000096243836 570223505 /nfs/dbraw/zinc/22/35/05/570223505.db2.gz CAQZDGSLMABTOG-INIZCTEOSA-N 0 0 399.451 0.457 40 0 GCABRN CC(C)C(=O)N1CCN(S(=O)(=O)c2cccnc2)C[C@@]2(CNC(=O)C2)C1 ZINC000096262016 570226252 /nfs/dbraw/zinc/22/62/52/570226252.db2.gz LETKXIFDBXADMC-KRWDZBQOSA-N 0 0 380.470 0.077 40 0 GCABRN COC(=O)c1ccc([C@H]2c3sc(=O)[nH]c3S[C@H](C(N)=O)[C@@H]2C(N)=O)cc1 ZINC000096318966 570229008 /nfs/dbraw/zinc/22/90/08/570229008.db2.gz FDRDLEDRBRPMKE-BBBLOLIVSA-N 0 0 393.446 0.416 40 0 GCABRN NC(=O)C[C@]1(COc2ccc(F)cc2)CN(C(=O)c2ccc(=O)[nH]n2)CCO1 ZINC000585282144 570250096 /nfs/dbraw/zinc/25/00/96/570250096.db2.gz AVYWVKUNDZXMGR-GOSISDBHSA-N 0 0 390.371 0.487 40 0 GCABRN Cn1cc(/C=C/C(=O)N2CC[C@@](C)(O)[C@H](n3cnc4c3ncnc4N)C2)cn1 ZINC000585289772 570257721 /nfs/dbraw/zinc/25/77/21/570257721.db2.gz JYFSWUUUAJDSCY-JSAGRGGKSA-N 0 0 382.428 0.380 40 0 GCABRN CC(=O)N1CC2(CCN(C(=O)/C=C/CN3CCOCC3)CC2)C[C@H](O)C1(C)C ZINC000585291700 570260301 /nfs/dbraw/zinc/26/03/01/570260301.db2.gz RVAJZGVXMUWBPB-WRFKIARRSA-N 0 0 393.528 0.875 40 0 GCABRN COC(=O)C1=CN2[C@@H](C#N)[C@H](c3cccnc3)C(C(=O)OC)(C(=O)OC)[C@H]2C=C1 ZINC000005798228 570304042 /nfs/dbraw/zinc/30/40/42/570304042.db2.gz ZVSOSRUQIMSCAH-XHSDSOJGSA-N 0 0 397.387 0.701 40 0 GCABRN CC[C@@H](C)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]([C@H](C)O)N[C@]21C(=O)Nc2ccc(F)cc21 ZINC000105352613 570304674 /nfs/dbraw/zinc/30/46/74/570304674.db2.gz IXUGXRFAPZBLMB-CFGYMJCHSA-N 0 0 375.400 0.725 40 0 GCABRN CC[C@H](C)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]([C@H](C)O)N[C@]21C(=O)Nc2ccc(F)cc21 ZINC000105352609 570304691 /nfs/dbraw/zinc/30/46/91/570304691.db2.gz IXUGXRFAPZBLMB-KFXYWLKISA-N 0 0 375.400 0.725 40 0 GCABRN CCCS(=O)(=O)N1CC2(C1)CN(C(=O)c1ccccc1)C[C@@H]1COCCN12 ZINC000604380989 570352161 /nfs/dbraw/zinc/35/21/61/570352161.db2.gz ACCBWNWEYVTALC-QGZVFWFLSA-N 0 0 393.509 0.637 40 0 biogenic,in-vitro GCABRN O=C(C[C@@H]1C[C@H]2O[C@H](CNC(=O)Nc3cccs3)[C@@H](O)[C@H]2O1)NC1CC1 ZINC000604381696 570352580 /nfs/dbraw/zinc/35/25/80/570352580.db2.gz LFECHLSWAADANC-TVJKQAJBSA-N 0 0 381.454 0.824 40 0 biogenic,in-vitro GCABRN COc1ccc(C(=O)N2C[C@@H]3COCCN3C3(CN(C(=O)C4CC4)C3)C2)cc1 ZINC000604381946 570352992 /nfs/dbraw/zinc/35/29/92/570352992.db2.gz WFJKGECBDWALKV-QGZVFWFLSA-N 0 0 385.464 0.843 40 0 biogenic,in-vitro GCABRN C[C@@H](Cc1ccccc1)Nc1ncnc2c1ncn2[C@@H]1O[C@@H](CO)[C@@H](O)[C@H]1O ZINC000003874845 570353044 /nfs/dbraw/zinc/35/30/44/570353044.db2.gz RIRGCFBBHQEQQH-OWLWOLCLSA-N 0 0 385.424 0.481 40 0 GCABRN CCOC(=O)COc1ccc(/C=C2\NC(=S)N(CC(=O)OC)C2=O)cc1 ZINC000006954994 570399891 /nfs/dbraw/zinc/39/98/91/570399891.db2.gz DZGXGOXPQOXSKZ-JYRVWZFOSA-N 0 0 378.406 0.859 40 0 GCABRN Nc1nc2c(ncn2[C@H]2O[C@@H](CO)[C@@H](O)[C@H]2O)c(SCc2ccccc2)n1 ZINC000004769185 570404708 /nfs/dbraw/zinc/40/47/08/570404708.db2.gz HEWUQFYYFBVBKP-XQCUEUFKSA-N 0 0 389.437 0.312 40 0 GCABRN OC[C@@H]1O[C@H](n2cnc3c2nc(F)nc3SCc2ccccc2)[C@@H](O)[C@@H]1O ZINC000004916585 570418155 /nfs/dbraw/zinc/41/81/55/570418155.db2.gz VCRUCRQMQNMLHN-GXCBOPRBSA-N 0 0 392.412 0.869 40 0 GCABRN CS(=O)(=O)N(CCCC(=O)NCCN1CCOCC1)c1ccccc1F ZINC000222657559 570419393 /nfs/dbraw/zinc/41/93/93/570419393.db2.gz OYWZMHLSPXIWLZ-UHFFFAOYSA-N 0 0 387.477 0.820 40 0 GCABRN CC(=O)c1c(C)cc2cccc(O[C@@H]3O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]3O)c2c1O ZINC000005085268 570428695 /nfs/dbraw/zinc/42/86/95/570428695.db2.gz FZUPKYUANHOYBD-FMAJMWNWSA-N 0 0 378.377 0.235 40 0 GCABRN CCS[C@H]1[C@@H](OC(C)=O)O[C@@H]([C@@H](COC(C)=O)OC(C)=O)[C@H]1OC(C)=O ZINC000005120797 570430154 /nfs/dbraw/zinc/43/01/54/570430154.db2.gz STZCNEXTAMKTRZ-JKJDWNRSSA-N 0 0 392.426 0.823 40 0 GCABRN CCNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(C)S(C)(=O)=O ZINC000222967325 570433771 /nfs/dbraw/zinc/43/37/71/570433771.db2.gz IECUKUKHMDMJEJ-ZDUSSCGKSA-N 0 0 385.486 0.440 40 0 GCABRN Cc1ccc(S(=O)(=O)NCC(=O)NCC(=O)OCC(=O)C(C)(C)C)cc1 ZINC000007932871 570433836 /nfs/dbraw/zinc/43/38/36/570433836.db2.gz IKMUNNRYPPZYSC-UHFFFAOYSA-N 0 0 384.454 0.548 40 0 GCABRN C[C@@H](O)CNC(=O)Cn1c2ccccc2nc1SCC(=O)NC[C@H](C)O ZINC000005387147 570436794 /nfs/dbraw/zinc/43/67/94/570436794.db2.gz RRKZMYXJSCTDTM-NEPJUHHUSA-N 0 0 380.470 0.122 40 0 GCABRN COc1ccc(C(=O)N2CCC(C(=O)NCCN3CCOCC3)CC2)cc1 ZINC000223123748 570444816 /nfs/dbraw/zinc/44/48/16/570444816.db2.gz VHQPSHSBEWEHSK-UHFFFAOYSA-N 0 0 375.469 0.996 40 0 GCABRN OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C(OCc1ccccc1)OCc1ccccc1 ZINC000005699609 570451822 /nfs/dbraw/zinc/45/18/22/570451822.db2.gz YMTLBGVCGZMOLY-AKHDSKFASA-N 0 0 378.421 0.182 40 0 GCABRN Cn1ccnc1COc1ccc(CN2C[C@@H](O)[C@H](NS(C)(=O)=O)C2)cc1 ZINC000257206701 570487323 /nfs/dbraw/zinc/48/73/23/570487323.db2.gz BEPVAJLQLNKYEQ-HZPDHXFCSA-N 0 0 380.470 0.093 40 0 GCABRN COC(=O)[C@H](C)N(C(=O)Cc1ccc(OC)c(OC)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000032641432 570512980 /nfs/dbraw/zinc/51/29/80/570512980.db2.gz AQHJUPSRPLUUOF-GXTWGEPZSA-N 0 0 399.465 0.824 40 0 GCABRN C[C@H](C(=O)N1CCC(C(N)=O)CC1)N(c1ccc(F)c(F)c1)S(C)(=O)=O ZINC000224568591 570518515 /nfs/dbraw/zinc/51/85/15/570518515.db2.gz KSSXFIMZGNRFNR-SNVBAGLBSA-N 0 0 389.424 0.843 40 0 GCABRN Cc1ccnc(OC[C@H]2CCS(=O)(=O)C23CN(C(=O)c2ccnnc2)C3)n1 ZINC000575402642 570519163 /nfs/dbraw/zinc/51/91/63/570519163.db2.gz DNLFSWFNARTEKR-CQSZACIVSA-N 0 0 389.437 0.283 40 0 GCABRN CN1CC2(CN(C(=O)c3cccc(O)c3)C2)OC[C@@H]1C(=O)N1CCCCO1 ZINC000575403918 570520239 /nfs/dbraw/zinc/52/02/39/570520239.db2.gz KUCRIDYTLTZMIV-MRXNPFEDSA-N 0 0 375.425 0.471 40 0 GCABRN O=C(NC[C@H]1CO[C@@H]2CN(S(=O)(=O)c3cccnc3)C[C@H]12)c1ccco1 ZINC000575405543 570521463 /nfs/dbraw/zinc/52/14/63/570521463.db2.gz UJAFXFNYYJTXIA-JGGQBBKZSA-N 0 0 377.422 0.740 40 0 GCABRN CN(C)C(=O)[C@H]1COC2(CN(C(=O)Cc3ccc4c(c3)CCCO4)C2)CN1C ZINC000575406347 570522304 /nfs/dbraw/zinc/52/23/04/570522304.db2.gz WYRSYJPBQDFDJN-QGZVFWFLSA-N 0 0 387.480 0.554 40 0 GCABRN CNC(=O)[C@@H]1COC2(CN(C(=O)c3ccc4c(c3)COC4)C2)CN1CC1CC1 ZINC000575406955 570522931 /nfs/dbraw/zinc/52/29/31/570522931.db2.gz ZARQMMSKUNCIRK-SFHVURJKSA-N 0 0 385.464 0.768 40 0 GCABRN CC[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)N1CCC(C(N)=O)CC1 ZINC000224980205 570541521 /nfs/dbraw/zinc/54/15/21/570541521.db2.gz BIADAUISCHCQIS-INIZCTEOSA-N 0 0 397.497 0.964 40 0 GCABRN CN(C)S(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccc(N3CCOCC3)cc2)C1 ZINC000225003763 570542673 /nfs/dbraw/zinc/54/26/73/570542673.db2.gz UFOCDGCUJMGRLG-OAHLLOKOSA-N 0 0 396.513 0.980 40 0 GCABRN Cc1ccc(C(=O)NCCN2CCOCC2)cc1N1CCCCS1(=O)=O ZINC000035422648 570553113 /nfs/dbraw/zinc/55/31/13/570553113.db2.gz QAWDUOIOWYJKAY-UHFFFAOYSA-N 0 0 381.498 0.987 40 0 GCABRN CNC(=O)C(=O)Nc1ccccc1C(=O)N1C[C@H]2C[C@@H](C1)Cn1c(=O)cccc12 ZINC000036569592 570560986 /nfs/dbraw/zinc/56/09/86/570560986.db2.gz RNNBHRJKHVEISM-UONOGXRCSA-N 0 0 394.431 0.792 40 0 GCABRN COC(=O)C[C@H]1C(=O)NCCN1Cc1cn(CC(=O)NC2CC2)c2ccccc12 ZINC000036741501 570569369 /nfs/dbraw/zinc/56/93/69/570569369.db2.gz NMYZERDHMUHLMQ-SFHVURJKSA-N 0 0 398.463 0.783 40 0 GCABRN O=C(C1CC1)N1CCc2cc(S(=O)(=O)NCCCN3CCOCC3)ccc21 ZINC000225452538 570575344 /nfs/dbraw/zinc/57/53/44/570575344.db2.gz MEELBVFBANJDMY-UHFFFAOYSA-N 0 0 393.509 0.986 40 0 GCABRN O=C(Nc1cccc(F)c1)[C@H]1CC(=O)Nc2nc(N3CCOCC3)[nH]c(=O)c21 ZINC000038828116 570583655 /nfs/dbraw/zinc/58/36/55/570583655.db2.gz QYXINWHLZREKIH-LBPRGKRZSA-N 0 0 387.371 0.810 40 0 GCABRN NC(=O)NC(=O)[C@H]1CC(=O)Nc2nc(Nc3ccc(Cl)cc3)[nH]c(=O)c21 ZINC000040399333 570603006 /nfs/dbraw/zinc/60/30/06/570603006.db2.gz JQFGILJZVQZXCH-QMMMGPOBSA-N 0 0 376.760 0.788 40 0 GCABRN Cc1nc2c(c(=O)[nH]1)CC[C@@H]1CN(C(=O)c3ccc(-n4cnnn4)cc3)C[C@H]21 ZINC000012120070 570613067 /nfs/dbraw/zinc/61/30/67/570613067.db2.gz BFEDNLZBCKELIV-CJNGLKHVSA-N 0 0 377.408 0.856 40 0 GCABRN Cc1nn(C)cc1[C@@H]1C[C@H](C(=O)NCCc2ccccc2)N(C)S(=O)(=O)N1 ZINC000012131433 570613646 /nfs/dbraw/zinc/61/36/46/570613646.db2.gz ZVGBSONLTFAWRK-DLBZAZTESA-N 0 0 391.497 0.667 40 0 GCABRN O=C(CCN1C(=O)[C@H]2[C@@H]3CC[C@@H](C3)[C@@H]2C1=O)N1CCn2c(nnc2C2CC2)C1 ZINC000012158596 570618956 /nfs/dbraw/zinc/61/89/56/570618956.db2.gz RSENDLJUDZWZDY-RMHZUWNSSA-N 0 0 383.452 0.919 40 0 GCABRN COCCNC(=S)N(CCCO)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 ZINC000004160444 570619478 /nfs/dbraw/zinc/61/94/78/570619478.db2.gz CVZULYADYOEAQN-UHFFFAOYSA-N 0 0 393.465 0.962 40 0 GCABRN CCn1c(SCC(=O)Nc2cccc(O)c2)nc2c1c(=O)n(C)c(=O)n2C ZINC000004161094 570619877 /nfs/dbraw/zinc/61/98/77/570619877.db2.gz TWGNXGIFIDCKFJ-UHFFFAOYSA-N 0 0 389.437 0.890 40 0 GCABRN O=C(O[C@H]1[C@@H](Oc2ccccc2CO)O[C@@H](CO)[C@@H](O)[C@@H]1O)c1ccccc1 ZINC000043199459 570626153 /nfs/dbraw/zinc/62/61/53/570626153.db2.gz FWPNCAYVELBDRB-VBRUWADQSA-N 0 0 390.388 0.222 40 0 GCABRN CC(C)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C)C(=O)N[C@@H](C)C(N)=O ZINC000004355599 570627536 /nfs/dbraw/zinc/62/75/36/570627536.db2.gz ORPWHDPCKJWVIC-RWMBFGLXSA-N 0 0 384.477 0.517 40 0 GCABRN CO[C@H]1[C@@H](O)[C@H](n2cnc3c2ncnc3NC(=O)c2ccccc2)O[C@@H]1CO ZINC000044171406 570632006 /nfs/dbraw/zinc/63/20/06/570632006.db2.gz MCFYIRSCNBGQBD-XWXWGSFUSA-N 0 0 385.380 0.344 40 0 GCABRN CCOc1ccc(S(=O)(=O)N(C)CC(=O)NCCSc2nc[nH]n2)cc1 ZINC000226044293 570639585 /nfs/dbraw/zinc/63/95/85/570639585.db2.gz IZPFPCIZYYSCJE-UHFFFAOYSA-N 0 0 399.498 0.732 40 0 GCABRN CN(C)S(=O)(=O)N1CCC[C@H](C(=O)NC[C@@H]2COc3ccccc3O2)C1 ZINC000260905637 570714017 /nfs/dbraw/zinc/71/40/17/570714017.db2.gz RFUYZJVCQGFMEU-UONOGXRCSA-N 0 0 383.470 0.461 40 0 GCABRN CS(=O)(=O)NC[C@@H]1CO[C@@H]2CN(C(=O)c3ccnc4ccccc43)C[C@H]12 ZINC000247511885 570715691 /nfs/dbraw/zinc/71/56/91/570715691.db2.gz IOCZWEIDGBHKGR-SRCQZFHVSA-N 0 0 375.450 0.871 40 0 GCABRN COc1ccc(OC)c(S(=O)(=O)N2CCC(C(=O)NCCCO)CC2)c1 ZINC000006441418 570743241 /nfs/dbraw/zinc/74/32/41/570743241.db2.gz PYEQMKJHWOAWRR-UHFFFAOYSA-N 0 0 386.470 0.603 40 0 GCABRN CN(CC1(O)CCN(c2nccn3cccc23)CC1)C(=O)CC[C@H]([NH3+])C(=O)[O-] ZINC000257203558 570760288 /nfs/dbraw/zinc/76/02/88/570760288.db2.gz AQQNVYALBMYPBH-AWEZNQCLSA-N 0 0 389.456 0.316 40 0 GCABRN NC(=O)N[C@@H]1C[C@@H](Oc2cccnc2)[C@H](O)[C@H]1N1CCN(c2ccccc2)CC1 ZINC000257226718 570763971 /nfs/dbraw/zinc/76/39/71/570763971.db2.gz FLVPJWNAPFWENI-ZRNYENFQSA-N 0 0 397.479 0.821 40 0 GCABRN CN(CC1(O)CCN(c2cccc3nccn32)CC1)C(=O)[C@@H]([NH3+])CCC(=O)[O-] ZINC000257234682 570766577 /nfs/dbraw/zinc/76/65/77/570766577.db2.gz GUQKWRNGXCOGMM-AWEZNQCLSA-N 0 0 389.456 0.316 40 0 GCABRN CN1CCN(C(=O)C2CCN(c3ccc(C(F)(F)F)cn3)CC2)C[C@H]1C(N)=O ZINC000257242109 570768463 /nfs/dbraw/zinc/76/84/63/570768463.db2.gz IBDRMSKSGYNMOZ-AWEZNQCLSA-N 0 0 399.417 0.945 40 0 GCABRN O=C(N[C@@H]1C[C@@H](Oc2cccc(F)c2)[C@H](O)[C@H]1N1CCOCC1)c1ncc[nH]1 ZINC000257288138 570775979 /nfs/dbraw/zinc/77/59/79/570775979.db2.gz PTAAJKAKHNWPTA-NCOADZHNSA-N 0 0 390.415 0.560 40 0 GCABRN CC(=O)N1CCN(C(=O)Cn2c3ccccc3nc2C(F)(F)F)C[C@@H]1C(N)=O ZINC000257294088 570777041 /nfs/dbraw/zinc/77/70/41/570777041.db2.gz QSJGXTMHQMFXIL-CYBMUJFWSA-N 0 0 397.357 0.600 40 0 GCABRN Cn1c(=O)c2ccc([C@H]3CN(C(=O)c4cccnc4)CCO3)nc2n(C)c1=O ZINC000257318770 570780931 /nfs/dbraw/zinc/78/09/31/570780931.db2.gz VPGJXQCATSXNBA-OAHLLOKOSA-N 0 0 381.392 0.241 40 0 GCABRN Cc1cc(=O)oc2cc(O[C@]3(C)O[C@@H](CO)[C@](C)(O)[C@@](C)(O)[C@@]3(C)O)ccc12 ZINC000012358923 570805985 /nfs/dbraw/zinc/80/59/85/570805985.db2.gz VERJTZMTVXTWPT-LFAQGZIKSA-N 0 0 394.420 0.841 40 0 GCABRN O=C(Cn1cnc2ccccc2c1=O)NCCn1nnn(-c2cccs2)c1=O ZINC000072341039 570881057 /nfs/dbraw/zinc/88/10/57/570881057.db2.gz IJMDNCOPCAFSNJ-UHFFFAOYSA-N 0 0 397.420 0.017 40 0 GCABRN CCS(=O)(=O)N(CC(=O)NCCN1CCOCC1)c1ccc2c(c1)OCO2 ZINC000014396782 570882743 /nfs/dbraw/zinc/88/27/43/570882743.db2.gz ONOYKBWXFOYPHA-UHFFFAOYSA-N 0 0 399.469 0.020 40 0 GCABRN CS(=O)(=O)N1CC[C@H](C(=O)NCCCN2CCOCC2)Oc2ccccc21 ZINC000030944595 570908493 /nfs/dbraw/zinc/90/84/93/570908493.db2.gz LPUABCXOVICTCS-QGZVFWFLSA-N 0 0 397.497 0.442 40 0 GCABRN COc1ccc(S(=O)(=O)N(C)CC(=O)NCCCN2CCOCC2)cc1 ZINC000016187788 570916802 /nfs/dbraw/zinc/91/68/02/570916802.db2.gz OUIIPBLNEUAUOA-UHFFFAOYSA-N 0 0 385.486 0.154 40 0 GCABRN O=C(C[C@@H]1CN(C(=O)c2cnccn2)Cc2ccnn21)NCC1CCOCC1 ZINC000585095326 570921754 /nfs/dbraw/zinc/92/17/54/570921754.db2.gz MRSFZTCXFTZFPU-MRXNPFEDSA-N 0 0 384.440 0.803 40 0 GCABRN COCCNC(=O)c1cn2c(n1)[C@H](C)N(S(=O)(=O)c1cccnc1)CC2 ZINC000585096239 570922984 /nfs/dbraw/zinc/92/29/84/570922984.db2.gz CQNLTEZPUYRYLU-LBPRGKRZSA-N 0 0 379.442 0.420 40 0 GCABRN COCCn1ccc(C(=O)N2CCn3cc(CC(=O)N4CC=CC4)nc3[C@H]2C)n1 ZINC000585096880 570923678 /nfs/dbraw/zinc/92/36/78/570923678.db2.gz BVEURCAMUNTFSD-OAHLLOKOSA-N 0 0 398.467 0.884 40 0 GCABRN O=S(=O)(c1ccccn1)N1CCC2(CO[C@@H](CN3CCOCC3)C2)CC1 ZINC000585104096 570930058 /nfs/dbraw/zinc/93/00/58/570930058.db2.gz LKQLAOXPIAUYNS-MRXNPFEDSA-N 0 0 381.498 0.974 40 0 GCABRN CN(C)C(=O)CN1CCOCC2(CCN(C(=O)c3ccnc(F)c3)CC2)C1 ZINC000585102454 570930603 /nfs/dbraw/zinc/93/06/03/570930603.db2.gz RQZRXOPGSSKJKM-UHFFFAOYSA-N 0 0 378.448 0.864 40 0 GCABRN CC(C)n1nc2n(c(=O)c1=O)CC1(C2)CCN(C(=O)c2ccnc(F)c2)CC1 ZINC000585105981 570935432 /nfs/dbraw/zinc/93/54/32/570935432.db2.gz XCGZZFGCCKMYDJ-UHFFFAOYSA-N 0 0 387.415 0.999 40 0 GCABRN Cc1ccc(Cn2nc3n(c(=O)c2=O)C[C@]2(CCN(C(=O)C4CC4)C2)C3)cc1 ZINC000306127256 570937333 /nfs/dbraw/zinc/93/73/33/570937333.db2.gz FTEXKHLUAWNCFK-OAQYLSRUSA-N 0 0 380.448 0.947 40 0 GCABRN COc1cccc(CNC(=O)c2cn3c(nc2=O)C[C@@]2(CCN(C(C)=O)C2)C3)c1 ZINC000306126673 570937603 /nfs/dbraw/zinc/93/76/03/570937603.db2.gz FBRJWGFGYIBLTJ-OAQYLSRUSA-N 0 0 396.447 0.977 40 0 GCABRN CC(C)NC(=O)c1nnc2n1CCN1CCN(C(=O)c3ccnc(F)c3)C[C@H]21 ZINC000585109882 570938690 /nfs/dbraw/zinc/93/86/90/570938690.db2.gz FXTOFPOAORVOKG-CYBMUJFWSA-N 0 0 387.419 0.463 40 0 GCABRN Cn1cc(-c2ccc3c(c2)[C@@H]2CN(C(=O)C4CC(O)C4)C[C@H]2S3(=O)=O)cn1 ZINC000585110050 570939124 /nfs/dbraw/zinc/93/91/24/570939124.db2.gz BKHMXIHQQVNVQU-OSURYHIWSA-N 0 0 387.461 0.940 40 0 GCABRN CN(C)C(=O)N1CC[C@]2(C1)CN(C)C[C@H](C(=O)N(C)Cc1ccccn1)O2 ZINC000306131586 570939872 /nfs/dbraw/zinc/93/98/72/570939872.db2.gz KJEXRCYFKJTYGC-VQIMIIECSA-N 0 0 375.473 0.497 40 0 GCABRN CCOC(=O)[C@@]12CN(c3ncccn3)C[C@@H]1CN(C(=O)c1ncn(C)n1)CCC2 ZINC000585108078 570940302 /nfs/dbraw/zinc/94/03/02/570940302.db2.gz QMHHGDXSUKDAAJ-LIRRHRJNSA-N 0 0 399.455 0.527 40 0 GCABRN CCOC(=O)c1ccc(NC(=O)[C@@H]2CC(=O)NC(N3CCN(C)CC3)=N2)cc1 ZINC000020059528 570940420 /nfs/dbraw/zinc/94/04/20/570940420.db2.gz YLRRDBXXYBRWHW-HNNXBMFYSA-N 0 0 387.440 0.294 40 0 GCABRN O=S(=O)(NC[C@H]1CCC2(CN(c3ccc4nncn4n3)C2)OC1)C1CC1 ZINC000306133887 570940808 /nfs/dbraw/zinc/94/08/08/570940808.db2.gz MYONUCVLEIWMOK-GFCCVEGCSA-N 0 0 378.458 0.192 40 0 GCABRN CN(C)S(=O)(=O)N1Cc2ccnn2[C@@H](CCNC(=O)c2cccnc2)C1 ZINC000585112148 570942786 /nfs/dbraw/zinc/94/27/86/570942786.db2.gz JFEYNMOFISUMEE-AWEZNQCLSA-N 0 0 378.458 0.261 40 0 GCABRN O=C([C@@H]1CCCS1(=O)=O)N1CC[C@]2(C1)COCc1cnc(NC3CC3)nc12 ZINC000306138265 570943384 /nfs/dbraw/zinc/94/33/84/570943384.db2.gz RTTKVNNCKBFNSF-KSSFIOAISA-N 0 0 392.481 0.628 40 0 GCABRN C[C@H]1CCCN(C(=O)c2nnc3n2CC2(CCN(S(C)(=O)=O)CC2)OC3)C1 ZINC000306140633 570944564 /nfs/dbraw/zinc/94/45/64/570944564.db2.gz UZGUFBFKFWOBCR-ZDUSSCGKSA-N 0 0 397.501 0.475 40 0 GCABRN COCCN1CC[C@@]2(CN(C(=O)c3ccnn3C)C[C@H]2c2cn(C)cn2)C1=O ZINC000306141038 570945288 /nfs/dbraw/zinc/94/52/88/570945288.db2.gz VJNRHNGWHLYVKE-LIRRHRJNSA-N 0 0 386.456 0.258 40 0 GCABRN COCCNC(=O)CN1CC[C@]2(CCC1=O)NC(=O)c1cc(C)ccc1O2 ZINC000019218835 570962763 /nfs/dbraw/zinc/96/27/63/570962763.db2.gz LUJGRVQYPXCCKF-LJQANCHMSA-N 0 0 375.425 0.589 40 0 GCABRN COC[C@@H](C)NC(=O)CN1CC[C@]2(CCC1=O)NC(=O)c1cc(C)ccc1O2 ZINC000019218786 570962806 /nfs/dbraw/zinc/96/28/06/570962806.db2.gz PJQWYJATTRAOSP-JLTOFOAXSA-N 0 0 389.452 0.977 40 0 GCABRN COC(=O)[C@]1(CCSC)N[C@H](c2ccc(O)cc2)[C@@H]2C(=O)N(C)C(=O)[C@@H]21 ZINC000231643205 570966806 /nfs/dbraw/zinc/96/68/06/570966806.db2.gz NUBVHDVGVPFZKT-UHQDVWGKSA-N 0 0 378.450 0.932 40 0 GCABRN CCN1C[C@H](C(=O)N2CCc3nc([C@H]4CCCN(C(C)=O)C4)ncc3C2)CC1=O ZINC000019526956 570997732 /nfs/dbraw/zinc/99/77/32/570997732.db2.gz CEONYOGCFGHFNX-JKSUJKDBSA-N 0 0 399.495 0.956 40 0 GCABRN CS(=O)(=O)c1cnc2ncnn2c1[C@H]1CCCN(C(=O)c2ccno2)C1 ZINC000019573784 571010598 /nfs/dbraw/zinc/01/05/98/571010598.db2.gz PBUDTQOAQXAWMN-JTQLQIEISA-N 0 0 376.398 0.536 40 0 GCABRN CN(C)c1ncc2c(cc([C@H]3CCCN(C(=O)CN4CCCC4=O)C3)[nH]c2=O)n1 ZINC000019585637 571015312 /nfs/dbraw/zinc/01/53/12/571015312.db2.gz REICECKAROGNBL-ZDUSSCGKSA-N 0 0 398.467 0.713 40 0 GCABRN CN(CC(=O)Nc1ccc(N2CCCC2)c2nonc21)[C@@H]1CCS(=O)(=O)C1 ZINC000019655210 571023251 /nfs/dbraw/zinc/02/32/51/571023251.db2.gz VOJOVWJADIFNST-GFCCVEGCSA-N 0 0 393.469 0.880 40 0 GCABRN CN(C)c1ccc(CCNS(=O)(=O)c2ccc3[nH]c(=O)[nH]c(=O)c3c2)cc1 ZINC000019657601 571024557 /nfs/dbraw/zinc/02/45/57/571024557.db2.gz KXIRTWZVAIZTSW-UHFFFAOYSA-N 0 0 388.449 0.803 40 0 GCABRN Nc1nc2c(cc1C(=O)N1CCCC1)CN(C(=O)COC[C@H]1CCCO1)CC2 ZINC000019701143 571031516 /nfs/dbraw/zinc/03/15/16/571031516.db2.gz ZOOFYETVERBOEZ-OAHLLOKOSA-N 0 0 388.468 0.980 40 0 GCABRN CC(C)c1cc(C(=O)N[C@@H](C)CN2CCOCC2)c2c(=O)[nH]c(=O)n(C)c2n1 ZINC000019714545 571036012 /nfs/dbraw/zinc/03/60/12/571036012.db2.gz QQWHXZYCRZUPDW-LBPRGKRZSA-N 0 0 389.456 0.196 40 0 GCABRN Cc1cc(C(=O)NC[C@@H](C(C)C)N2CCOCC2)c2c(=O)[nH]c(=O)n(C)c2n1 ZINC000019716342 571038251 /nfs/dbraw/zinc/03/82/51/571038251.db2.gz MYQMZWODRHDGGU-AWEZNQCLSA-N 0 0 389.456 0.017 40 0 GCABRN O=C(NC[C@H]1O[C@@H](CO)[C@@H](O)[C@H]1N1CCc2ccccc2C1)c1ccccc1 ZINC000020465217 575367352 /nfs/dbraw/zinc/36/73/52/575367352.db2.gz MSLKAHOKFZASLV-IVAOSVALSA-N 0 0 382.460 0.964 40 0 biogenic,in-vitro GCABRN COc1ccc(Cl)cc1N(CC(=O)N1CCN(C=O)CC1)S(C)(=O)=O ZINC000010283519 638593934 /nfs/dbraw/zinc/59/39/34/638593934.db2.gz ZYXFCBDRKUQYLW-UHFFFAOYSA-N 0 0 389.861 0.415 40 0 GCABRN O=C(c1cnon1)N1CCN2[C@H](C1)C(=O)N(Cc1ccccc1)C21CCOCC1 ZINC001772595246 1187052128 /nfs/dbraw/zinc/05/21/28/1187052128.db2.gz GCOWYMGNKRAXAH-QGZVFWFLSA-N 0 0 397.435 0.745 40 0 GCABRN COCCN1C(=O)[C@H]2CN(C(=O)c3c(C)noc3C)CCN2C12CCOCC2 ZINC001772595369 1187053138 /nfs/dbraw/zinc/05/31/38/1187053138.db2.gz PYQKCAUBGVSUKF-OAHLLOKOSA-N 0 0 392.456 0.413 40 0 GCABRN COCCN1C(=O)[C@H]2CN(C(=O)c3nccs3)CCN2C12CCOCC2 ZINC001772595317 1187053374 /nfs/dbraw/zinc/05/33/74/1187053374.db2.gz LXQACOGZANWWBH-CYBMUJFWSA-N 0 0 380.470 0.265 40 0 GCABRN COCCN1C(=O)[C@H]2CN(C(=O)c3ccc(F)cc3)CCN2C12CCOCC2 ZINC001772595344 1187053519 /nfs/dbraw/zinc/05/35/19/1187053519.db2.gz ONWKDNZFHDMKDO-QGZVFWFLSA-N 0 0 391.443 0.947 40 0 GCABRN NC(=O)C[C@@]1(COc2ccc(F)cc2)CN(C(=O)c2cnc(N)s2)CCO1 ZINC000585282897 1189784531 /nfs/dbraw/zinc/78/45/31/1189784531.db2.gz IZKWUMFZZQYRTL-KRWDZBQOSA-N 0 0 394.428 1.030 40 0 GCABRN CC(=O)N[C@H]1[C@@H](OC(C)=O)[C@@H](O)[C@@H](CO)O[C@H]1Oc1cccc2ccccc21 ZINC000242425492 1199664498 /nfs/dbraw/zinc/66/44/98/1199664498.db2.gz BLLDREJCXJOWEZ-LCWAXJCOSA-N 0 0 389.404 0.733 40 0 GCABRN COCCN1C(=O)[C@@H]2[C@H](C1=O)[C@@H]([C@H](C)O)N[C@]21C(=O)Nc2c1cccc2Cl ZINC000020566083 1199873389 /nfs/dbraw/zinc/87/33/89/1199873389.db2.gz BUONQAWZMCXZSY-AEXWGPEASA-N 0 0 393.827 0.088 40 0 GCABRN CCOC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@H](Cc1ccccc1)NC(=O)[O-] ZINC000095627583 1199876031 /nfs/dbraw/zinc/87/60/31/1199876031.db2.gz XYAPYBYMGXFYKC-KBPBESRZSA-N 0 0 393.444 0.176 40 0 GCABRN CNS(=O)(=O)c1ccc(C)c(NC(=O)[C@H]2CCCN(S(C)(=O)=O)C2)c1 ZINC000222559117 222609177 /nfs/dbraw/zinc/60/91/77/222609177.db2.gz TYKLPBLEGUFUCU-LBPRGKRZSA-N 0 0 389.499 0.513 40 0 GCABRN C[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)NCCN1CCOCC1 ZINC000408593373 231072600 /nfs/dbraw/zinc/07/26/00/231072600.db2.gz NKLHKQMJZJLXSV-OAHLLOKOSA-N 0 0 391.493 0.955 40 0 GCABRN C[C@H](Oc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1)C(=O)N1CCOCC1 ZINC000408605760 231077334 /nfs/dbraw/zinc/07/73/34/231077334.db2.gz NKHCJVZTHNMMJZ-HOCLYGCPSA-N 0 0 398.481 0.770 40 0 GCABRN Cc1ccc(S(=O)(=O)NCCN2CCOCC2)cc1C(=O)N1CCCC1 ZINC000408609495 231078791 /nfs/dbraw/zinc/07/87/91/231078791.db2.gz TVLYJWYXODSTKO-UHFFFAOYSA-N 0 0 381.498 0.842 40 0 GCABRN COCCNC(=O)COc1ccc(S(=O)(=O)NCCOC)cc1Cl ZINC000408635509 231090493 /nfs/dbraw/zinc/09/04/93/231090493.db2.gz CPSXHASEJNNMNB-UHFFFAOYSA-N 0 0 380.850 0.406 40 0 GCABRN NC(=O)C1CCN(C(=O)CNS(=O)(=O)c2cc(Cl)ccc2Cl)CC1 ZINC000409172115 231174358 /nfs/dbraw/zinc/17/43/58/231174358.db2.gz HVZOIGFRHSXJSX-UHFFFAOYSA-N 0 0 394.280 0.996 40 0 GCABRN C[C@@H](NS(=O)(=O)c1ccc(Br)cc1)C(=O)N1CCN(C)CC1 ZINC000035060058 530115079 /nfs/dbraw/zinc/11/50/79/530115079.db2.gz YATSUBXUGHXXMZ-LLVKDONJSA-N 0 0 390.303 0.890 40 0 GCABRN CSc1ncnc2c1c(Br)cn2[C@H]1O[C@@H](CO)[C@@H](O)[C@H]1O ZINC000004995506 530119131 /nfs/dbraw/zinc/11/91/31/530119131.db2.gz IRFZERSLBNKSOA-YWZCALJYSA-N 0 0 376.232 0.527 40 0 GCABRN COC(=O)CN1C(=O)[C@@H]2[C@H]3C[C@H](C4=Cc5sc(=O)[nH]c5S[C@H]43)[C@@H]2C1=O ZINC000032597824 530167531 /nfs/dbraw/zinc/16/75/31/530167531.db2.gz FPRPJYTYDKSJPK-YJTNHKJSSA-N 0 0 378.431 0.718 40 0 GCABRN CC1CCN(S(=O)(=O)N2CCN(S(=O)(=O)N3CCCCC3)CC2)CC1 ZINC000004988295 530313835 /nfs/dbraw/zinc/31/38/35/530313835.db2.gz VDOHNNNSLSNEMQ-UHFFFAOYSA-N 0 0 394.563 0.311 40 0 GCABRN COC(=O)[C@H]1CN(C(=O)C2CCN(S(C)(=O)=O)CC2)c2ccccc2O1 ZINC000226075864 222704897 /nfs/dbraw/zinc/70/48/97/222704897.db2.gz OBOYKJHWHXWYCP-OAHLLOKOSA-N 0 0 382.438 0.625 40 0 GCABRN CC(=O)N[C@H]1[C@@H](O)[C@H](O)[C@H](CO)O[C@@H]1OCc1ccc(Cl)cc1Cl ZINC000004906373 530447135 /nfs/dbraw/zinc/44/71/35/530447135.db2.gz CIHDSPCYFDFWRF-AHDPXTMNSA-N 0 0 380.224 0.454 40 0 GCABRN S=C(NCCN1CCOCC1)Nc1nc(Cl)cc(N2CCOCC2)n1 ZINC000225905851 530507959 /nfs/dbraw/zinc/50/79/59/530507959.db2.gz CDMAKUIGBNBCIM-UHFFFAOYSA-N 0 0 386.909 0.585 40 0 GCABRN CS(=O)(=O)N[C@H](CC(=O)NCCN1CCOCC1)c1ccc(Cl)cc1 ZINC000225952922 530508125 /nfs/dbraw/zinc/50/81/25/530508125.db2.gz NEJBDCJEDJQODZ-OAHLLOKOSA-N 0 0 389.905 0.769 40 0 GCABRN CCCS(=O)(=O)N1CC2(C1)[C@@H](COc1nccc(C)n1)CCS2(=O)=O ZINC000306134847 530501320 /nfs/dbraw/zinc/50/13/20/530501320.db2.gz NZQNJFCNCGRYFI-CYBMUJFWSA-N 0 0 389.499 0.393 40 0 GCABRN CN(c1cccc(NC(=O)C2CCN(S(C)(=O)=O)CC2)c1)S(C)(=O)=O ZINC000222624599 530502363 /nfs/dbraw/zinc/50/23/63/530502363.db2.gz OUHWGSLCKTUKNE-UHFFFAOYSA-N 0 0 389.499 0.693 40 0 GCABRN Cc1cc(C)c(S(=O)(=O)N(C[C@H](O)CO)[C@H]2CCS(=O)(=O)C2)cc1C ZINC000575420992 530688164 /nfs/dbraw/zinc/68/81/64/530688164.db2.gz GBZOHQMHDVLKEH-GJZGRUSLSA-N 0 0 391.511 0.143 40 0 GCABRN CCOC(=O)N[C@@H]1CS(=O)(=O)C[C@@H]1NS(=O)(=O)c1ccc(C)cc1C ZINC000575422374 530688819 /nfs/dbraw/zinc/68/88/19/530688819.db2.gz BMSGCPKUIAWKLL-OLZOCXBDSA-N 0 0 390.483 0.493 40 0 GCABRN O=S1(=O)CC[C@@H](NN(Cc2cccc(F)c2)[C@H]2CCS(=O)(=O)C2)C1 ZINC000575422370 530688879 /nfs/dbraw/zinc/68/88/79/530688879.db2.gz VDTIWKZFARMBKO-CABCVRRESA-N 0 0 376.475 0.507 40 0 GCABRN [NH3+]CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(C(=O)[O-])ccc1Cl ZINC000575425700 530689002 /nfs/dbraw/zinc/68/90/02/530689002.db2.gz HJTXKCYZCCECAW-JTQLQIEISA-N 0 0 396.874 0.175 40 0 GCABRN Cc1ccc(Cl)cc1S(=O)(=O)N([C@H]1CS(=O)(=O)C[C@H]1O)N(C)C ZINC000575426295 530690282 /nfs/dbraw/zinc/69/02/82/530690282.db2.gz QRPUKAJQBVUYNY-NWDGAFQWSA-N 0 0 382.891 0.274 40 0 GCABRN CCOc1cc(C=C2C(=O)NC(=S)NC2=O)cc(Cl)c1OCC(N)=O ZINC000006959378 530778369 /nfs/dbraw/zinc/77/83/69/530778369.db2.gz CEEVHQXRMFVPIV-UHFFFAOYSA-N 0 0 383.813 0.517 40 0 GCABRN CCOC(=O)N(CCNC(=O)C1CCCCC1)[C@@H]1CS(=O)(=O)C[C@H]1O ZINC000217368952 530937143 /nfs/dbraw/zinc/93/71/43/530937143.db2.gz SHTDXSWXSHAZDJ-ZIAGYGMSSA-N 0 0 376.475 0.299 40 0 GCABRN Nc1ncnc2c1c(I)cn2[C@@H]1C[C@@H](O)[C@H](CO)O1 ZINC000033805002 530967785 /nfs/dbraw/zinc/96/77/85/530967785.db2.gz LIIIRHQRQZIIRT-CSMHCCOUSA-N 0 0 376.154 0.259 40 0 GCABRN COCCN1C(=O)Cc2c1nc([C@@]1(C)CCCN1S(=O)(=O)N(C)C)nc2C ZINC000257210927 222754665 /nfs/dbraw/zinc/75/46/65/222754665.db2.gz BWTALWPZDMQORU-QGZVFWFLSA-N 0 0 397.501 0.438 40 0 GCABRN Cn1c(=O)c2ccc([C@H]3CN(C(=O)c4ccncc4)CCO3)nc2n(C)c1=O ZINC000257322329 222776478 /nfs/dbraw/zinc/77/64/78/222776478.db2.gz WFMZYWURYAIAHL-OAHLLOKOSA-N 0 0 381.392 0.241 40 0 GCABRN Cc1cncc(C(=O)N2C[C@@H]3c4nn(CC5CCC5)c(=O)c(=O)n4C[C@@H]3C2)c1 ZINC000306125009 222793877 /nfs/dbraw/zinc/79/38/77/222793877.db2.gz CELVKJLCKBSDEB-HOTGVXAUSA-N 0 0 381.436 0.778 40 0 GCABRN O=C([C@H]1C[C@@H](O)[C@H](O)[C@@H]2N=C(Nc3ccc(F)cc3)S[C@@H]21)N1CCOCC1 ZINC000008643911 291102880 /nfs/dbraw/zinc/10/28/80/291102880.db2.gz FQSPVJQVKDLYMN-XFIYOXNOSA-N 0 0 395.456 0.678 40 0 biogenic,in-vitro GCABRN Cc1n[nH]c(C)c1S(=O)(=O)NCCn1ncc2c1ncnc2N1CCCC1 ZINC000035598418 212118261 /nfs/dbraw/zinc/11/82/61/212118261.db2.gz VJIZIUZFZFUFGK-UHFFFAOYSA-N 0 0 390.473 0.745 40 0 GCABRN CCOC(=O)[C@@H]1CC(=O)N(c2ccc(N3CCN(S(C)(=O)=O)CC3)cc2)C1 ZINC000045958017 212119188 /nfs/dbraw/zinc/11/91/88/212119188.db2.gz RLHHHHBCRKIQIK-CQSZACIVSA-N 0 0 395.481 0.684 40 0 GCABRN CCOC(=O)CN(CCON1C(=O)c2ccccc2C1=O)CC(=O)OCC ZINC000065740246 209136188 /nfs/dbraw/zinc/13/61/88/209136188.db2.gz MWQLVWKMTVLBJZ-UHFFFAOYSA-N 0 0 378.381 0.642 40 0 in-vitro GCABRN CN(CC(=O)N1CCCCC1)S(=O)(=O)c1ccc2c(c1)n(C)c(=O)n2C ZINC000027914430 206255549 /nfs/dbraw/zinc/25/55/49/206255549.db2.gz GDHTXFCPNVSEJO-UHFFFAOYSA-N 0 0 380.470 0.510 40 0 GCABRN COCCn1nnnc1[C@@H](c1cc2cccc(C)c2[nH]c1=O)N1CCOCC1 ZINC000019973082 206257885 /nfs/dbraw/zinc/25/78/85/206257885.db2.gz BBFSDPMBCFKSAC-QGZVFWFLSA-N 0 0 384.440 0.891 40 0 GCABRN O=C(Cn1c(=O)[nH]c2ccccc2c1=O)N1C[C@H]2C[C@@H](C1)Cn1c(=O)cccc12 ZINC000006909510 206294439 /nfs/dbraw/zinc/29/44/39/206294439.db2.gz YYCRNOSZBNAMNI-UONOGXRCSA-N 0 0 392.415 0.497 40 0 GCABRN OC[C@@H]1O[C@@H](Oc2ccc3cc(Br)ccc3c2)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000000642953 206311669 /nfs/dbraw/zinc/31/16/69/206311669.db2.gz NLRXQZJJCPRATR-XFIYOXNOSA-N 0 0 385.210 0.781 40 0 GCABRN CCOC(=O)C(CN1C(=O)c2ccccc2C1=O)(NC(C)=O)C(=O)OCC ZINC000001559362 206385928 /nfs/dbraw/zinc/38/59/28/206385928.db2.gz RNYPJPFBOPHPKI-UHFFFAOYSA-N 0 0 376.365 0.284 40 0 GCABRN CCOC(=O)c1ccc(N2C(=O)Cn3c2nc2c3c(=O)n(C)c(=O)n2C)cc1 ZINC000005634119 206622775 /nfs/dbraw/zinc/62/27/75/206622775.db2.gz OPCWTIVOCUZDEA-UHFFFAOYSA-N 0 0 383.364 0.289 40 0 GCABRN O=C(CN1c2ccccc2S(=O)(=O)N2CCCC[C@H]2C1=O)N1CCOCC1 ZINC000012113142 206855750 /nfs/dbraw/zinc/85/57/50/206855750.db2.gz MJGZXEWQWSRSBS-HNNXBMFYSA-N 0 0 393.465 0.435 40 0 GCABRN Cc1c([C@@H]2C[C@H](C(=O)NCc3cccs3)N(C)S(=O)(=O)N2)cnn1C ZINC000012131052 206860669 /nfs/dbraw/zinc/86/06/69/206860669.db2.gz NLBSOYLOSOSANV-UONOGXRCSA-N 0 0 383.499 0.686 40 0 GCABRN COc1ccc2c(c1)O[C@@]1(C[C@H]3CC[C@@H]1C[C@@H]3C(=O)N1CCNC(=O)C1)NC2=O ZINC000012185373 206866201 /nfs/dbraw/zinc/86/62/01/206866201.db2.gz UGEIRJRXKBCALD-UGTKWOMLSA-N 0 0 399.447 0.908 40 0 GCABRN Cc1nnc(N2CC3(C2)CN(CC2CC2)[C@H](C(=O)N2CCCO2)CO3)s1 ZINC000306138518 209106109 /nfs/dbraw/zinc/10/61/09/209106109.db2.gz RZMKBFBGCYZKGX-AWEZNQCLSA-N 0 0 379.486 0.680 40 0 GCABRN COCCN1C(=O)[C@@H]2[C@H](C1=O)[C@@H]([C@@H](C)O)N[C@]21C(=O)Nc2ccc(Cl)cc21 ZINC000016025021 207070848 /nfs/dbraw/zinc/07/08/48/207070848.db2.gz RNCNDEZJKDJMRW-PENAAAJCSA-N 0 0 393.827 0.088 40 0 GCABRN CC(=O)NCCn1nc([C@@H]2CCN(C(=O)[C@@H]3CCCCO3)C2)c2nccnc21 ZINC000019021471 207100545 /nfs/dbraw/zinc/10/05/45/207100545.db2.gz WSFOABCOXYJNCT-CABCVRRESA-N 0 0 386.456 0.847 40 0 GCABRN CC(=O)N1CCC(c2ncc3c(n2)CCN(C(=O)[C@@H]2CC(=O)N(C)C2)C3)CC1 ZINC000019016825 207099225 /nfs/dbraw/zinc/09/92/25/207099225.db2.gz BJFDEXKRHAZAEH-OAHLLOKOSA-N 0 0 385.468 0.566 40 0 GCABRN CC(=O)N1CCCC[C@@H]1c1ncc2c(n1)CCN(C(=O)[C@H]1CC(=O)N(C)C1)C2 ZINC000019017286 207099757 /nfs/dbraw/zinc/09/97/57/207099757.db2.gz XTCSJJIFTXWVDF-WMLDXEAASA-N 0 0 385.468 0.913 40 0 GCABRN O=C(NCCc1cc(N2CCOCC2)nc(N2CCCC2)n1)[C@@H]1CCCO1 ZINC000019291952 207114618 /nfs/dbraw/zinc/11/46/18/207114618.db2.gz NAISRWWYDHLIKW-INIZCTEOSA-N 0 0 375.473 0.751 40 0 GCABRN O=C(NCCc1cc(N2CCOCC2)nc(N2CCCC2)n1)[C@H]1CCCO1 ZINC000019291953 207114698 /nfs/dbraw/zinc/11/46/98/207114698.db2.gz NAISRWWYDHLIKW-MRXNPFEDSA-N 0 0 375.473 0.751 40 0 GCABRN C[C@@H](NC(=O)[C@@H]1CCS(=O)(=O)C1)c1cc(=O)[nH]c(N2CCC(C)CC2)n1 ZINC000019496991 207125018 /nfs/dbraw/zinc/12/50/18/207125018.db2.gz KRVHYVRLFMFMQY-CHWSQXEVSA-N 0 0 382.486 0.618 40 0 GCABRN CCCC(=O)N1CC[C@H](c2nc3c(c(=O)[nH]2)CN(S(=O)(=O)CC)CC3)C1 ZINC000019501127 207127092 /nfs/dbraw/zinc/12/70/92/207127092.db2.gz ODERPRAWBSGBJP-LBPRGKRZSA-N 0 0 382.486 0.594 40 0 GCABRN Cc1nonc1CN1CCN(CC(=O)N2CCC[C@@H](c3csnn3)C2)CC1 ZINC000019559164 207133753 /nfs/dbraw/zinc/13/37/53/207133753.db2.gz BHJSLOJUCLUMCC-CQSZACIVSA-N 0 0 391.501 0.753 40 0 GCABRN CS(=O)(=O)N1CCc2c(nc([C@@H]3CCN(C(=O)C4CCCC4)C3)[nH]c2=O)C1 ZINC000019573003 207138271 /nfs/dbraw/zinc/13/82/71/207138271.db2.gz IVPPATLZABGRDD-CYBMUJFWSA-N 0 0 394.497 0.594 40 0 GCABRN COC(=O)[C@]1(CCSC)N[C@@H](c2ccc(O)cc2)[C@H]2C(=O)N(C)C(=O)[C@H]21 ZINC000019586849 207139807 /nfs/dbraw/zinc/13/98/07/207139807.db2.gz NUBVHDVGVPFZKT-WZTLGTBRSA-N 0 0 378.450 0.932 40 0 GCABRN Cn1c2ncn(CCC(=O)N[C@@H]3CCOc4ccccc43)c2c(=O)n(C)c1=O ZINC000019660321 207145998 /nfs/dbraw/zinc/14/59/98/207145998.db2.gz DTEAHBZKXNGMSU-CYBMUJFWSA-N 0 0 383.408 0.464 40 0 GCABRN COc1cccc(OC)c1C(=O)N1CCN(C(=O)c2cnc(N)nc2C)CC1 ZINC000019656036 207146256 /nfs/dbraw/zinc/14/62/56/207146256.db2.gz BXEGGHNZKIJGMA-UHFFFAOYSA-N 0 0 385.424 0.983 40 0 GCABRN Cc1cnc2c(C(=O)N3CCCC[C@@H]3CCNS(=O)(=O)N(C)C)cnn2c1 ZINC000019748950 207159811 /nfs/dbraw/zinc/15/98/11/207159811.db2.gz CUSZLNICITUBPX-CQSZACIVSA-N 0 0 394.501 0.819 40 0 GCABRN C[C@@]1(C(=O)N2CCOCC2)CN(C(=O)c2ccc3nsnc3c2)CCO1 ZINC000019746876 207156635 /nfs/dbraw/zinc/15/66/35/207156635.db2.gz UXFRFISSQRWAAS-KRWDZBQOSA-N 0 0 376.438 0.781 40 0 GCABRN CNc1ncc(C(=O)N2CCO[C@@H](C(=O)NCCc3ccccc3OC)C2)cn1 ZINC000019747166 207158118 /nfs/dbraw/zinc/15/81/18/207158118.db2.gz DIIDFSUHCDIMPQ-QGZVFWFLSA-N 0 0 399.451 0.727 40 0 GCABRN O=C(CC[C@@H]1CCC(=O)N1)N1CC(C(=O)N2CCN(c3ccccc3)CC2)C1 ZINC000019748689 207159158 /nfs/dbraw/zinc/15/91/58/207159158.db2.gz SZPJRNZMPITMFL-KRWDZBQOSA-N 0 0 384.480 0.852 40 0 GCABRN Cc1ccccc1NC(=O)[C@@H]1CC(=O)Nc2nc(N3CCOCC3)[nH]c(=O)c21 ZINC000019961062 207173164 /nfs/dbraw/zinc/17/31/64/207173164.db2.gz JOLHJFDVBAHKHJ-GFCCVEGCSA-N 0 0 383.408 0.979 40 0 GCABRN COC(=O)CN1c2ncnn2[C@@H](c2ccccc2)C(C(=O)N2CCOCC2)=C1C ZINC000020674214 207210330 /nfs/dbraw/zinc/21/03/30/207210330.db2.gz QRJKWNRDGAWRKT-SFHVURJKSA-N 0 0 397.435 0.993 40 0 GCABRN O=C(NCc1ccc(S(=O)(=O)N2CCOCC2)cc1)C(=O)NC1CCCC1 ZINC000022228151 207249598 /nfs/dbraw/zinc/24/95/98/207249598.db2.gz MTYCPIDBEYDCHX-UHFFFAOYSA-N 0 0 395.481 0.383 40 0 GCABRN COc1ccc(C)c(S(=O)(=O)N2CCC[C@H]2C(=O)N2CCN(C)CC2)c1 ZINC000022230050 207249933 /nfs/dbraw/zinc/24/99/33/207249933.db2.gz NAOVEMCILXYZIH-INIZCTEOSA-N 0 0 381.498 0.931 40 0 GCABRN CC(C)(C)OC[C@@H](O)CN1CCN(Cc2ccnc(N3CCOCC3)n2)CC1 ZINC000022916009 207265025 /nfs/dbraw/zinc/26/50/25/207265025.db2.gz ZISWMXHNGRUSBR-SFHVURJKSA-N 0 0 393.532 0.607 40 0 GCABRN CCOC(=O)C1CCN(C(=O)[C@H]2CCCN(S(=O)(=O)N(C)C)C2)CC1 ZINC000030853374 207376143 /nfs/dbraw/zinc/37/61/43/207376143.db2.gz QYJNZHZQAWXNQC-AWEZNQCLSA-N 0 0 375.491 0.307 40 0 GCABRN Cc1nn(C)cc1[C@H]1C[C@H](C(=O)NCCc2ccccc2)N(C)S(=O)(=O)N1 ZINC000072335167 207998614 /nfs/dbraw/zinc/99/86/14/207998614.db2.gz ZVGBSONLTFAWRK-IAGOWNOFSA-N 0 0 391.497 0.667 40 0 GCABRN Cc1nn(C)cc1[C@H]1C[C@H](C(=O)NCc2cccs2)N(C)S(=O)(=O)N1 ZINC000072335171 207999195 /nfs/dbraw/zinc/99/91/95/207999195.db2.gz UKMFUUHRFLSSCR-ZIAGYGMSSA-N 0 0 383.499 0.686 40 0 GCABRN CC[C@@H](c1cccc(O[C@@H]2O[C@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@H]2O)c1)[C@@H](C)C[NH2+]C ZINC000077287255 208036983 /nfs/dbraw/zinc/03/69/83/208036983.db2.gz NZXQRBQRSILIIJ-WDRIRZBNSA-N 0 0 383.441 0.307 40 0 in-vitro GCABRN C[C@]1(CO)O[C@@H](N2CCN(Cc3ccccc3)CC2)[C@@](C)(O)[C@@](C)(O)[C@]1(C)O ZINC000078547097 208064604 /nfs/dbraw/zinc/06/46/04/208064604.db2.gz XOSLXWLHQVUTQP-PFAUGDHASA-N 0 0 394.512 0.165 40 0 GCABRN COCCn1cnc2nnc3ccc(C(=O)NCCN4CCOCC4)cc3c21 ZINC000096146577 208273365 /nfs/dbraw/zinc/27/33/65/208273365.db2.gz LRXAEERGMVSISP-UHFFFAOYSA-N 0 0 384.440 0.688 40 0 GCABRN CCN1CC[C@]2(CN(C(C)=O)CC23CCN(S(=O)(=O)C2CC2)CC3)C1=O ZINC000096036516 208253212 /nfs/dbraw/zinc/25/32/12/208253212.db2.gz FRLSPJWCUDJEAH-SFHVURJKSA-N 0 0 383.514 0.662 40 0 GCABRN Cc1nc(CN2CCNC(=O)C23CCN(C(=O)c2ccnnc2)CC3)cs1 ZINC000096077190 208262496 /nfs/dbraw/zinc/26/24/96/208262496.db2.gz JRISTEBPFXCNDT-UHFFFAOYSA-N 0 0 386.481 0.848 40 0 GCABRN CC(C)CN1CCN(C)C(=O)C12CCN(S(=O)(=O)c1cn(C)cn1)CC2 ZINC000096230268 208291652 /nfs/dbraw/zinc/29/16/52/208291652.db2.gz ZYNRJKSNZFABTB-UHFFFAOYSA-N 0 0 383.518 0.373 40 0 GCABRN O=C(c1ccnnc1)N1CCC2(CC1)O[C@@H](C(=O)N1CCCC1)Cn1ccnc12 ZINC000096243691 208292312 /nfs/dbraw/zinc/29/23/12/208292312.db2.gz BQWPNFISBAQVEX-MRXNPFEDSA-N 0 0 396.451 0.826 40 0 GCABRN CN1CCS(=O)(=O)[C@@H]2CCN(S(=O)(=O)c3cccc(F)c3)CC[C@@H]21 ZINC000096251524 208296265 /nfs/dbraw/zinc/29/62/65/208296265.db2.gz WWXICDXPDVYZSR-LSDHHAIUSA-N 0 0 376.475 0.708 40 0 GCABRN CC(C)C(=O)N1CCN(S(=O)(=O)c2cccnc2)C[C@]2(CNC(=O)C2)C1 ZINC000096262017 208297799 /nfs/dbraw/zinc/29/77/99/208297799.db2.gz LETKXIFDBXADMC-QGZVFWFLSA-N 0 0 380.470 0.077 40 0 GCABRN CC(C)C(=O)N1CCN(S(=O)(=O)c2cccnc2)C[C@]2(CC(=O)N(C)C2)C1 ZINC000096262071 208298971 /nfs/dbraw/zinc/29/89/71/208298971.db2.gz YAYMAUWGYGYGFR-SFHVURJKSA-N 0 0 394.497 0.419 40 0 GCABRN CCOC(=O)CCn1c(=O)c2c(nc3n(CCOC)c(C)c(C)n32)n(C)c1=O ZINC000096306405 208305381 /nfs/dbraw/zinc/30/53/81/208305381.db2.gz MSMPKLPSUKPTMC-UHFFFAOYSA-N 0 0 391.428 0.366 40 0 GCABRN CCS(=O)(=O)CCN1Cc2ccnn2[C@H](CC(=O)N2CC(F)(F)C2)C1 ZINC000306139088 209105370 /nfs/dbraw/zinc/10/53/70/209105370.db2.gz SPADSCVSZIYPJE-CYBMUJFWSA-N 0 0 376.429 0.542 40 0 GCABRN COc1ccc(S(=O)(=O)N[C@H](C)C(=O)NCCCn2ccnc2)cc1OC ZINC000408587873 533067400 /nfs/dbraw/zinc/06/74/00/533067400.db2.gz CMSFYNGRBFJJHZ-CYBMUJFWSA-N 0 0 396.469 0.774 40 0 GCABRN CC(C)[C@@H](C)NC(=O)c1cn2c(nc1=O)[C@@]1(CC2)CCN(S(C)(=O)=O)C1 ZINC000306131861 209101795 /nfs/dbraw/zinc/10/17/95/209101795.db2.gz KRMSHDYSHZAXOK-PXAZEXFGSA-N 0 0 382.486 0.324 40 0 GCABRN CCc1oncc1C(=O)N1CC2(C1)[C@H](COc1ncccn1)CCS2(=O)=O ZINC000306134400 209101701 /nfs/dbraw/zinc/10/17/01/209101701.db2.gz NMCKOGGCRCTUOX-LBPRGKRZSA-N 0 0 392.437 0.735 40 0 GCABRN CCOc1ccc(N([C@@H](C)C(=O)N2CCC(C(N)=O)CC2)S(C)(=O)=O)cc1 ZINC000000793279 220460466 /nfs/dbraw/zinc/46/04/66/220460466.db2.gz PGTKOOCZFGRATD-ZDUSSCGKSA-N 0 0 397.497 0.964 40 0 GCABRN CC(C)CNS(=O)(=O)c1ccc(S(=O)(=O)N2CCN(C=O)CC2)cc1 ZINC000001330374 220486970 /nfs/dbraw/zinc/48/69/70/220486970.db2.gz KOPAXCPGIICITQ-UHFFFAOYSA-N 0 0 389.499 0.084 40 0 GCABRN CC1=NN(C)[C@@H]2C(N3CCN(CC(=O)Nc4ccc(F)cc4)CC3)=NC=N[C@@H]12 ZINC000222252077 208873975 /nfs/dbraw/zinc/87/39/75/208873975.db2.gz LAKVTKCYGVWWTR-ROUUACIJSA-N 0 0 385.447 0.881 40 0 GCABRN CCOC(=O)N1CCN(S(=O)(=O)c2cc(C(=O)NC)sc2C)CC1 ZINC000006680057 220950849 /nfs/dbraw/zinc/95/08/49/220950849.db2.gz WJCJUMRORFDNJZ-UHFFFAOYSA-N 0 0 375.472 0.879 40 0 GCABRN CNC(=O)[C@H]1CN(C(=O)CCn2c3cc(C)ccc3oc2=O)CCN1C(C)=O ZINC000257206549 209055406 /nfs/dbraw/zinc/05/54/06/209055406.db2.gz BDXWXHXXBOGRPL-OAHLLOKOSA-N 0 0 388.424 0.098 40 0 GCABRN CN(C)c1ncnc2c1ncn2[C@@H]1CC[C@@H](NC(=O)c2cccnc2)[C@@H](O)[C@@H]1O ZINC000257209670 209055965 /nfs/dbraw/zinc/05/59/65/209055965.db2.gz BRKALCNCJVPBPN-RRCSTGOVSA-N 0 0 397.439 0.143 40 0 GCABRN Nc1cc(-c2cncnc2[C@H]2CN(C(=O)CN3CCOCC3)CCO2)ccn1 ZINC000257222215 209058358 /nfs/dbraw/zinc/05/83/58/209058358.db2.gz DSKPBKGSNJKXGA-MRXNPFEDSA-N 0 0 384.440 0.353 40 0 GCABRN Cc1ccc(NC(=O)CN2CC[C@@]3(CCCN3S(C)(=O)=O)[C@@H](O)C2)cc1 ZINC000257265773 209064602 /nfs/dbraw/zinc/06/46/02/209064602.db2.gz MAFBSIQRJJHAPL-WMZOPIPTSA-N 0 0 381.498 0.794 40 0 GCABRN Cc1cn([C@@H]2CN(C(=O)CCCc3nc4ccccc4[nH]3)C[C@H]2O)c(=O)[nH]c1=O ZINC000257256571 209062474 /nfs/dbraw/zinc/06/24/74/209062474.db2.gz KMAQBNICFLMGCJ-HZPDHXFCSA-N 0 0 397.435 0.901 40 0 GCABRN Cc1nc2cc(C(=O)N(C)[C@@H]3CCC[C@@H](N4CCNC(=O)C4)[C@@H]3O)ccc2n1C ZINC000257271347 209063949 /nfs/dbraw/zinc/06/39/49/209063949.db2.gz MXXZSNJIIVTCDW-QWFCFKBJSA-N 0 0 399.495 0.668 40 0 GCABRN COC(=O)CCC(=O)Nc1ccccc1S(=O)(=O)N1CCC[C@@H]1C(=O)OC ZINC000008306780 221035451 /nfs/dbraw/zinc/03/54/51/221035451.db2.gz OKEPPROSEPUPLY-CYBMUJFWSA-N 0 0 398.437 0.904 40 0 GCABRN CS(=O)(=O)c1cnc2ncnn2c1C1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000012118877 221152703 /nfs/dbraw/zinc/15/27/03/221152703.db2.gz WZSPSXCHYZGMHL-GFCCVEGCSA-N 0 0 379.442 0.413 40 0 GCABRN Cc1nn(C)cc1[C@@H]1C[C@@H](C(=O)NCc2ccc(F)cc2)N(C)S(=O)(=O)N1 ZINC000012131421 221157925 /nfs/dbraw/zinc/15/79/25/221157925.db2.gz JDKVDNFYOFYKKM-HOTGVXAUSA-N 0 0 395.460 0.764 40 0 GCABRN O=C(NCCn1nnn(-c2ccccc2)c1=O)c1n[nH]c(=O)c2ccccc21 ZINC000012145987 221158961 /nfs/dbraw/zinc/15/89/61/221158961.db2.gz UYULCHTZPFBDIU-UHFFFAOYSA-N 0 0 377.364 0.096 40 0 GCABRN O=C(NCCNS(=O)(=O)c1ccc(N2CCCC2=O)cc1)c1ccccn1 ZINC000012362484 221184888 /nfs/dbraw/zinc/18/48/88/221184888.db2.gz KGDVJDQSXYTYDH-UHFFFAOYSA-N 0 0 388.449 0.917 40 0 GCABRN O=C(NCCNS(=O)(=O)c1ccc(N2CCCC2=O)cc1)c1cccnc1 ZINC000012362062 221185249 /nfs/dbraw/zinc/18/52/49/221185249.db2.gz UKZBVCWNVNYFIW-UHFFFAOYSA-N 0 0 388.449 0.917 40 0 GCABRN Cc1ccc2c(c1)cc(C)c1nn(CC(=O)N3CCC(C(N)=O)CC3)c(=O)n12 ZINC000012182003 221162485 /nfs/dbraw/zinc/16/24/85/221162485.db2.gz XBEGUIGTXGOZDC-UHFFFAOYSA-N 0 0 381.436 0.990 40 0 GCABRN COCCNC(=O)c1cn(C[C@H]2CCCN(C(=O)c3cnn(C)c3C)C2)nn1 ZINC000012184855 221163651 /nfs/dbraw/zinc/16/36/51/221163651.db2.gz OFTIHYUMVPJWTI-AWEZNQCLSA-N 0 0 389.460 0.249 40 0 GCABRN CCN(CC)S(=O)(=O)c1cc(C(=O)NCCN2CCOCC2)ccc1OC ZINC000013581493 221275696 /nfs/dbraw/zinc/27/56/96/221275696.db2.gz HOFWBDLYSKHKKK-UHFFFAOYSA-N 0 0 399.513 0.788 40 0 GCABRN NS(=O)(=O)c1ccc(NC(=S)Nc2cccc(S(N)(=O)=O)c2)cc1 ZINC000016399649 221362028 /nfs/dbraw/zinc/36/20/28/221362028.db2.gz IJLLRYDJWWCMRY-UHFFFAOYSA-N 0 0 386.480 0.790 40 0 GCABRN NC(=O)C1CCN(C(=O)COc2ccc(S(=O)(=O)N3CCCC3)cc2)CC1 ZINC000016428732 221362616 /nfs/dbraw/zinc/36/26/16/221362616.db2.gz KUJYSHRMRYOXKM-UHFFFAOYSA-N 0 0 395.481 0.574 40 0 GCABRN CC1(C)O[C@H]2[C@H](n3c(Br)nc4c3ncnc4N)O[C@H](CO)[C@@H]2O1 ZINC000017381098 221383800 /nfs/dbraw/zinc/38/38/00/221383800.db2.gz GDKUQUVKGLVGBN-GZCUOZMLSA-N 0 0 386.206 0.581 40 0 GCABRN CC(=O)N1CCC[C@@H](c2ncc3c(n2)CCN(C(=O)C2=NNC(=O)CC2)C3)C1 ZINC000019017040 221394344 /nfs/dbraw/zinc/39/43/44/221394344.db2.gz HIYYVWVFEPEDRZ-CYBMUJFWSA-N 0 0 384.440 0.353 40 0 GCABRN CC(=O)N1CCC[C@H](c2ncc3c(n2)CCN(C(=O)C2=NNC(=O)CC2)C3)C1 ZINC000019017042 221394395 /nfs/dbraw/zinc/39/43/95/221394395.db2.gz HIYYVWVFEPEDRZ-ZDUSSCGKSA-N 0 0 384.440 0.353 40 0 GCABRN COc1ccc(-n2ncc(C(=O)[C@@H]3CCN(C(=O)CNC(C)=O)C3)c2N)cc1 ZINC000019021246 221395655 /nfs/dbraw/zinc/39/56/55/221395655.db2.gz FGSRGJUBAQEWCK-CYBMUJFWSA-N 0 0 385.424 0.630 40 0 GCABRN CN(CCNC(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1)c1ccccc1 ZINC000019655122 221436233 /nfs/dbraw/zinc/43/62/33/221436233.db2.gz AZNCMNBSDWVKEW-OAHLLOKOSA-N 0 0 392.481 0.405 40 0 GCABRN Cc1cc(C)n(CC(=O)N2CCC[C@H]2c2nc3c(c(C)n2)CC(=O)N3C)c(=O)n1 ZINC000019744328 221449285 /nfs/dbraw/zinc/44/92/85/221449285.db2.gz GMHZPEOWLFRDOY-HNNXBMFYSA-N 0 0 396.451 0.841 40 0 GCABRN CCS(=O)(=O)c1c2ccc(C(C)=O)cn2c(C(N)=O)c1S(=O)(=O)CC ZINC000020190356 221477413 /nfs/dbraw/zinc/47/74/13/221477413.db2.gz VNMMRZDGGBJVIW-UHFFFAOYSA-N 0 0 386.451 0.828 40 0 GCABRN CC(=O)Nc1ccc(CN2CCOC[C@@]3(Cc4c(nc(N)nc4N)O3)C2)cc1 ZINC000257286670 209068163 /nfs/dbraw/zinc/06/81/63/209068163.db2.gz PMMAJUGXYYYYEH-LJQANCHMSA-N 0 0 384.440 0.806 40 0 GCABRN Nc1ncnc2c1ncn2[C@@H]1CC[C@@H](NC(=O)OCc2ccccc2)[C@@H](O)[C@@H]1O ZINC000257296397 209070645 /nfs/dbraw/zinc/07/06/45/209070645.db2.gz RCPULPCYHRYNSB-RRCSTGOVSA-N 0 0 398.423 0.760 40 0 GCABRN COc1ccc(C)cc1S(=O)(=O)N[C@@H](C)C(=O)N1CCC(C(N)=O)CC1 ZINC000408597093 533405221 /nfs/dbraw/zinc/40/52/21/533405221.db2.gz WHRIAIATXNXQLX-LBPRGKRZSA-N 0 0 383.470 0.394 40 0 GCABRN CC(=O)N1CC(=O)N(c2ccccc2)C[C@]12CCN(C(=O)c1cnccn1)C2 ZINC000096050162 136183354 /nfs/dbraw/zinc/18/33/54/136183354.db2.gz GZDVWLYAJIBLFD-HXUWFJFHSA-N 0 0 379.420 0.957 40 0 GCABRN Cc1cnc(C(=O)N2CC[C@@]3(C2)COCc2cnc(N4CCOCC4)nc23)cn1 ZINC000096080352 136183570 /nfs/dbraw/zinc/18/35/70/136183570.db2.gz FGKDUPUUNZHWHR-HXUWFJFHSA-N 0 0 396.451 0.726 40 0 GCABRN Cc1cnc(C(=O)N2CC[C@]3(C2)COCc2cnc(N4CCOCC4)nc23)cn1 ZINC000096080353 136183634 /nfs/dbraw/zinc/18/36/34/136183634.db2.gz FGKDUPUUNZHWHR-FQEVSTJZSA-N 0 0 396.451 0.726 40 0 GCABRN O=S(=O)(C1CC1)N1CC[C@]2(C1)COCc1cnc(N3CCOCC3)nc12 ZINC000096244203 136185651 /nfs/dbraw/zinc/18/56/51/136185651.db2.gz PPGCJNSOAMJHFZ-KRWDZBQOSA-N 0 0 380.470 0.279 40 0 GCABRN Cn1cc(-c2cccc([C@H]3CN(S(=O)(=O)N4CCOCC4)CCO3)n2)cn1 ZINC000257328678 209076735 /nfs/dbraw/zinc/07/67/35/209076735.db2.gz XGRKQBPIXYUPMJ-QGZVFWFLSA-N 0 0 393.469 0.432 40 0 GCABRN Cc1cn([C@@H]2CN(C(=O)Cn3cnc4ccccc43)CC[C@@]2(C)O)c(=O)[nH]c1=O ZINC000257326504 209076890 /nfs/dbraw/zinc/07/68/90/209076890.db2.gz WXKUJSWSMHZPBV-OXQOHEQNSA-N 0 0 397.435 0.832 40 0 GCABRN Cn1c(=O)cc(C(=O)N2CCC[C@@](O)(COc3ccccc3)CC2)n(C)c1=O ZINC000257343242 209079024 /nfs/dbraw/zinc/07/90/24/209079024.db2.gz ZSCAKPCMXVRAQP-FQEVSTJZSA-N 0 0 387.436 0.520 40 0 GCABRN CC(C)C[C@H]1OC(=O)CCCNC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)NC1=O ZINC000031160860 221708141 /nfs/dbraw/zinc/70/81/41/221708141.db2.gz QWWUZAJFCIZIIQ-QLFBSQMISA-N 0 0 383.489 0.890 40 0 biogenic,in-vitro GCABRN CS(=O)(=O)Nc1ccc([C@H]2OCC(=O)N(Cc3cccnc3)[C@@H]2CO)cc1 ZINC000072321240 222225706 /nfs/dbraw/zinc/22/57/06/222225706.db2.gz RFAWELXPMWDUHG-SJLPKXTDSA-N 0 0 391.449 0.914 40 0 biogenic,in-vitro GCABRN O=C(Cn1nc2n(c1=O)-c1ccccc1C1=NCCCN21)NCc1ccco1 ZINC000072342134 222231191 /nfs/dbraw/zinc/23/11/91/222231191.db2.gz WXVGMKNUTHRLBG-UHFFFAOYSA-N 0 0 378.392 0.914 40 0 GCABRN CCc1nc2ccccc2c2nn(CC(=O)N3CCC(C(N)=O)CC3)c(=O)n21 ZINC000072347037 222232760 /nfs/dbraw/zinc/23/27/60/222232760.db2.gz IWIVHNQSSJIMMJ-UHFFFAOYSA-N 0 0 382.424 0.331 40 0 GCABRN CC(=O)N1CCN(C(=O)Cn2c3cccnc3n(Cc3cccs3)c2=O)CC1 ZINC000072346843 222233180 /nfs/dbraw/zinc/23/31/80/222233180.db2.gz IEUAEWTTWDYKDW-UHFFFAOYSA-N 0 0 399.476 0.999 40 0 GCABRN CCN1CC[C@]2(CN(S(C)(=O)=O)CC23CCN(C(=O)N(C)C)CC3)C1=O ZINC000096036562 222372427 /nfs/dbraw/zinc/37/24/27/222372427.db2.gz VALSPKBTBFMAQU-KRWDZBQOSA-N 0 0 386.518 0.264 40 0 GCABRN Cn1cc(C(=O)NCc2cc(=O)n3c(n2)CN(Cc2ccncc2)CCC3)cn1 ZINC000096059662 222376042 /nfs/dbraw/zinc/37/60/42/222376042.db2.gz NOACLOODIMRJGZ-UHFFFAOYSA-N 0 0 393.451 0.708 40 0 GCABRN Cn1nccc1-c1cnc2n1CCN(C)C21CCN(C(=O)N2CCOCC2)CC1 ZINC000096062637 222377159 /nfs/dbraw/zinc/37/71/59/222377159.db2.gz JNACVWVGOONAID-UHFFFAOYSA-N 0 0 399.499 0.972 40 0 GCABRN CN(C)C(=O)c1cc2c(nc1NCC1CC1)CCN(S(=O)(=O)N(C)C)CC2 ZINC000096086827 222377988 /nfs/dbraw/zinc/37/79/88/222377988.db2.gz GGBJPJCFICYGSM-UHFFFAOYSA-N 0 0 395.529 0.812 40 0 GCABRN COCC(=O)N[C@@H]1CCC[C@@H](C(=O)NCc2cc(C)on2)CC(=O)N(C)C1 ZINC000096113323 222381003 /nfs/dbraw/zinc/38/10/03/222381003.db2.gz UMYPPMZBGJPNMD-ZIAGYGMSSA-N 0 0 380.445 0.379 40 0 biogenic,in-vitro GCABRN CCN1C(=O)[C@H]2CN(c3ncccn3)C[C@H]2C12CCN(S(C)(=O)=O)CC2 ZINC000096143626 222387057 /nfs/dbraw/zinc/38/70/57/222387057.db2.gz AZLOUZITTHXNBV-UONOGXRCSA-N 0 0 379.486 0.185 40 0 GCABRN CN(C)C(=O)N1CCN(S(=O)(=O)c2ccccc2)C[C@@]2(CC(=O)N(C)C2)C1 ZINC000096143427 222388078 /nfs/dbraw/zinc/38/80/78/222388078.db2.gz KRTQHCSGHJCIPZ-GOSISDBHSA-N 0 0 394.497 0.523 40 0 GCABRN COCCNC(=O)c1ccc2nnc([C@H]3CN(C(=O)N(C)C)CCN3C)n2c1 ZINC000096156742 222393948 /nfs/dbraw/zinc/39/39/48/222393948.db2.gz OWFXYVLGIAVUMZ-CQSZACIVSA-N 0 0 389.460 0.076 40 0 GCABRN Cn1cnc(S(=O)(=O)N2CCC3(CN(Cc4cccnc4)C3=O)CC2)c1 ZINC000096202878 222398996 /nfs/dbraw/zinc/39/89/96/222398996.db2.gz XLZKYXQIQHVVOT-UHFFFAOYSA-N 0 0 375.454 0.628 40 0 GCABRN COc1ccc(S(=O)(=O)N2C[C@@H]3[C@H](C2)OCCN3Cc2cnn(C)c2)cc1 ZINC000096248760 222402690 /nfs/dbraw/zinc/40/26/90/222402690.db2.gz UUZCVNGOPWQCBN-MSOLQXFVSA-N 0 0 392.481 0.703 40 0 GCABRN CCc1cnc(N2C[C@H]3[C@@H](C2)S(=O)(=O)CC[C@@H]3C(=O)NCC2CC2)nc1 ZINC000096250991 222403197 /nfs/dbraw/zinc/40/31/97/222403197.db2.gz LJMKVWXQHOSWFY-ARFHVFGLSA-N 0 0 378.498 0.805 40 0 GCABRN CC(C)NC(=O)c1cc2c(nc1N(C)C)CCN(S(=O)(=O)N(C)C)CC2 ZINC000096260356 222404786 /nfs/dbraw/zinc/40/47/86/222404786.db2.gz JWDBHVXIRHCUHX-UHFFFAOYSA-N 0 0 383.518 0.493 40 0 GCABRN COc1ccc(N(CC(=O)NCCCn2ccnc2)S(C)(=O)=O)cc1OC ZINC000408624470 533984498 /nfs/dbraw/zinc/98/44/98/533984498.db2.gz QJDYQNVOUKSDCC-UHFFFAOYSA-N 0 0 396.469 0.873 40 0 GCABRN O=C(NCCN1CCOCC1)C(=O)Nc1ccccc1C(=O)NC1CCCC1 ZINC000408707758 534336355 /nfs/dbraw/zinc/33/63/55/534336355.db2.gz DRXROUVGMRCNPW-UHFFFAOYSA-N 0 0 388.468 0.746 40 0 GCABRN CCN(CC)C(=O)CC[C@@H]1CNC(=O)[C@@H]2C[C@H](NC(=S)NC3CC3)CN21 ZINC000015708652 520465970 /nfs/dbraw/zinc/46/59/70/520465970.db2.gz AMAQZFLIZKXORO-ZNMIVQPWSA-N 0 0 381.546 0.203 40 0 biogenic,in-vitro GCABRN Cn1c2nc(C(N)=O)n(Cc3ccc(Cl)cc3Cl)c2c(=O)n(C)c1=O ZINC000408976991 534714762 /nfs/dbraw/zinc/71/47/62/534714762.db2.gz HKSBXJQNPOBELH-UHFFFAOYSA-N 0 0 382.207 0.888 40 0 GCABRN O=C1[C@@H]2C[C@@H](O)CN2C2(CN(Cc3ccccc3)C2)C(=O)N1Cc1cccnc1 ZINC000225382456 534837449 /nfs/dbraw/zinc/83/74/49/534837449.db2.gz WYGPRTUIGMCWFF-MOPGFXCFSA-N 0 0 392.459 0.640 40 0 biogenic,in-vitro GCABRN CCOc1cc(/C=C2/NC(=O)N(CC(=O)OC)C2=O)ccc1OCC(N)=O ZINC000408548373 528195024 /nfs/dbraw/zinc/19/50/24/528195024.db2.gz HAODHABVYLPFNM-IZZDOVSWSA-N 0 0 377.353 0.015 40 0 GCABRN CC(=O)NCCC(=O)N1C[C@H]2C[C@@H](O)CN2C2(CN(Cc3ccccc3)C2)C1 ZINC000514290083 560031095 /nfs/dbraw/zinc/03/10/95/560031095.db2.gz SMKHEEFZPGNSQZ-RTBURBONSA-N 0 0 386.496 0.045 40 0 biogenic,in-vitro GCABRN O=C(COc1ccccc1)N1C[C@H]2NS(=O)(=O)c3cccnc3O[C@H]2C1 ZINC000514289038 560033446 /nfs/dbraw/zinc/03/34/46/560033446.db2.gz FKEMKTPQLBWRPS-KGLIPLIRSA-N 0 0 375.406 0.411 40 0 biogenic,in-vitro GCABRN Cc1ccc(CN2C(=O)[C@@H]3C[C@@H](O)CN3C3(CN(C4CCOCC4)C3)C2=O)o1 ZINC000225398284 560043604 /nfs/dbraw/zinc/04/36/04/560043604.db2.gz KOTCHSCFXFNFHP-WBVHZDCISA-N 0 0 389.452 0.125 40 0 biogenic,in-vitro GCABRN Cn1ccnc1CN1C[C@H]2CN(S(=O)(=O)c3ccc(F)cc3)CCN2C1=O ZINC000096269105 560054086 /nfs/dbraw/zinc/05/40/86/560054086.db2.gz NMLFKFULQXOOTI-AWEZNQCLSA-N 0 0 393.444 0.870 40 0 biogenic,in-vitro GCABRN CCNC(=O)[C@H]1O[C@@H](n2cnc3c2ncnc3NCc2ccccc2)[C@@H](O)[C@@H]1O ZINC000003874449 560191184 /nfs/dbraw/zinc/19/11/84/560191184.db2.gz VVHDYJFDZYHAMR-XMDUPGNXSA-N 0 0 398.423 0.194 40 0 in-vitro GCABRN Cn1nc2c(c1C(=O)N1CCO[C@](C)(C(=O)N3CCOCC3)C1)CCCC2 ZINC000019746943 570213956 /nfs/dbraw/zinc/21/39/56/570213956.db2.gz FWLXNOQRMZEKOR-IBGZPJMESA-N 0 0 376.457 0.389 40 0 GCABRN O=C(Cn1cc(C(=O)NCc2ncc[nH]2)ccc1=O)NCc1ccc(F)cc1 ZINC000019749347 570214704 /nfs/dbraw/zinc/21/47/04/570214704.db2.gz WFKJJGIUZVVLQB-UHFFFAOYSA-N 0 0 383.383 0.957 40 0 GCABRN O=C(NCCN1CCOCC1)C1=NO[C@]2(CCN(Cc3nccs3)C2)C1 ZINC000096225689 570220465 /nfs/dbraw/zinc/22/04/65/570220465.db2.gz IMDGXVHKOFBLBX-QGZVFWFLSA-N 0 0 379.486 0.312 40 0 GCABRN O=C(c1ccnnc1)N1CCC2(CC1)O[C@H](C(=O)N1CCCC1)Cn1ccnc12 ZINC000096243692 570223765 /nfs/dbraw/zinc/22/37/65/570223765.db2.gz BQWPNFISBAQVEX-INIZCTEOSA-N 0 0 396.451 0.826 40 0 GCABRN O=C([C@@H]1CCS(=O)(=O)[C@@H]2CN(Cc3ccccn3)C[C@@H]21)N1CCOCC1 ZINC000096251025 570224633 /nfs/dbraw/zinc/22/46/33/570224633.db2.gz XOCUTFOSWLMDBO-BRWVUGGUSA-N 0 0 379.482 0.176 40 0 GCABRN CC(C)Nc1nc2c(cc1C(=O)N(C)C)CCN(S(=O)(=O)N(C)C)CC2 ZINC000096260456 570225756 /nfs/dbraw/zinc/22/57/56/570225756.db2.gz JGSKEWNKKWSQRO-UHFFFAOYSA-N 0 0 383.518 0.811 40 0 GCABRN CC(=O)N1CCn2c(-c3cnn(C)c3)cnc2C12CCN(S(C)(=O)=O)CC2 ZINC000096263285 570226549 /nfs/dbraw/zinc/22/65/49/570226549.db2.gz HVCMSRIVVICMBN-UHFFFAOYSA-N 0 0 392.485 0.396 40 0 GCABRN COCC(=O)N1C[C@H]2C[C@H]3[C@@](CN(Cc4ccc(OC)cc4)S3(=O)=O)(C1)O2 ZINC000096263992 570226975 /nfs/dbraw/zinc/22/69/75/570226975.db2.gz XTTGQPQWIIUNTA-RYRKJORJSA-N 0 0 396.465 0.226 40 0 GCABRN COCCn1nnnc1[C@H](c1cc2cccc(C)c2[nH]c1=O)N1CCN(C)CC1 ZINC000019973063 570233956 /nfs/dbraw/zinc/23/39/56/570233956.db2.gz TVJWFNFERDJQNS-SFHVURJKSA-N 0 0 397.483 0.806 40 0 GCABRN CC(=O)N1CCN(C[C@]2(O)CN(C(=O)CCc3ccccc3)CC[C@H]2O)CC1 ZINC000585284748 570253869 /nfs/dbraw/zinc/25/38/69/570253869.db2.gz HHZACDWBIRULJV-CTNGQTDRSA-N 0 0 389.496 0.108 40 0 GCABRN [NH3+][C@@H](CC(=O)[O-])C(=O)N1CCC[C@]2(C[C@@H](O)[C@H](c3ccccc3)NC2=O)C1 ZINC000585285369 570254965 /nfs/dbraw/zinc/25/49/65/570254965.db2.gz OUPMGVCEVMOLAZ-MVWRLGRASA-N 0 0 375.425 0.019 40 0 GCABRN CS(=O)(=O)N1C[C@@H](C(=O)NCCCN2CCOCC2)Oc2ccccc21 ZINC000020460359 570260292 /nfs/dbraw/zinc/26/02/92/570260292.db2.gz AGMNHXPQBQMHML-INIZCTEOSA-N 0 0 383.470 0.052 40 0 GCABRN CC(=O)N1CC2(C[C@]1(C)CO)CCN(C(=O)/C=C/CN1CCOCC1)CC2 ZINC000585292093 570261112 /nfs/dbraw/zinc/26/11/12/570261112.db2.gz WVGSRVGEXWAXHW-GNAXCBTBSA-N 0 0 379.501 0.487 40 0 GCABRN CC(=O)OCC1(CC(=O)N2CCOCC2)CCN(C(=O)c2cocn2)CC1 ZINC000585294370 570263434 /nfs/dbraw/zinc/26/34/34/570263434.db2.gz ZLGPHSRZBQQJJE-UHFFFAOYSA-N 0 0 379.413 0.709 40 0 GCABRN COc1ccc(NC(=O)CSc2nc3c([nH]2)n(C)c(=O)n(C)c3=O)cc1 ZINC000100970385 570280028 /nfs/dbraw/zinc/28/00/28/570280028.db2.gz ZDKZCLDQMZQYLK-UHFFFAOYSA-N 0 0 375.410 0.700 40 0 GCABRN O=C(NCc1ccco1)C(=O)NCc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000020768983 570282005 /nfs/dbraw/zinc/28/20/05/570282005.db2.gz OICWQLVKGZARDE-UHFFFAOYSA-N 0 0 391.449 0.997 40 0 GCABRN O=C(NCc1ccc(S(=O)(=O)N2CCCC2)cc1)C(=O)NC[C@H]1CCCO1 ZINC000020769010 570282041 /nfs/dbraw/zinc/28/20/41/570282041.db2.gz LVLMIHHRZVMYOM-OAHLLOKOSA-N 0 0 395.481 0.383 40 0 GCABRN CC(C)NS(=O)(=O)c1ccc(CCNC(=O)C(=O)NCc2ccco2)cc1 ZINC000022228403 570308016 /nfs/dbraw/zinc/30/80/16/570308016.db2.gz AYAJJPURULWTRO-UHFFFAOYSA-N 0 0 393.465 0.941 40 0 GCABRN O=S(=O)(c1ccc2ccccc2c1)N(C[C@@H](O)CO)[C@H]1CCS(=O)(=O)C1 ZINC000575424208 570309794 /nfs/dbraw/zinc/30/97/94/570309794.db2.gz TXBNUMLTOLJWMH-JKSUJKDBSA-N 0 0 399.490 0.371 40 0 GCABRN CCCOc1ccc(N(CC(=O)NCCN2CCOCC2)S(C)(=O)=O)cc1 ZINC000219150511 570348631 /nfs/dbraw/zinc/34/86/31/570348631.db2.gz WFFBHHYDBRKHJC-UHFFFAOYSA-N 0 0 399.513 0.690 40 0 GCABRN C[C@@H](Cc1ccccc1)Nc1ncnc2c1ncn2[C@H]1O[C@@H](CO)[C@@H](O)[C@H]1O ZINC000003874843 570352894 /nfs/dbraw/zinc/35/28/94/570352894.db2.gz RIRGCFBBHQEQQH-SLAFLTGZSA-N 0 0 385.424 0.481 40 0 GCABRN COc1ccc(C)cc1N([C@H](C)C(=O)NCCN1CCOCC1)S(C)(=O)=O ZINC000220340925 570385152 /nfs/dbraw/zinc/38/51/52/570385152.db2.gz LZEDVVFOLGKDPM-OAHLLOKOSA-N 0 0 399.513 0.607 40 0 GCABRN C[C@@H](C(=O)NCCN1CCOCC1)N(c1ccc(F)c(F)c1)S(C)(=O)=O ZINC000220455651 570386545 /nfs/dbraw/zinc/38/65/45/570386545.db2.gz FNUZRHKLYPIHTC-LBPRGKRZSA-N 0 0 391.440 0.568 40 0 GCABRN C[C@@H](C(=O)NCCCN1CCOCC1)N(c1cccc(F)c1)S(C)(=O)=O ZINC000220480607 570386929 /nfs/dbraw/zinc/38/69/29/570386929.db2.gz OBUWRKZJDIBFBO-AWEZNQCLSA-N 0 0 387.477 0.819 40 0 GCABRN CCCNS(=O)(=O)c1cc(C(=O)NCCCN2CCOCC2)ccc1OC ZINC000023510947 570395187 /nfs/dbraw/zinc/39/51/87/570395187.db2.gz RUNZMVVBPFWWTK-UHFFFAOYSA-N 0 0 399.513 0.836 40 0 GCABRN CC(=O)Nc1ncnc2c1ncn2[C@H]1C[C@H](OC(C)=O)[C@H](COC(C)=O)O1 ZINC000004916567 570418133 /nfs/dbraw/zinc/41/81/33/570418133.db2.gz CBOSURABYCYSHO-RWMBFGLXSA-N 0 0 377.357 0.567 40 0 GCABRN CCS[C@@H]1O[C@@H]([C@@H](COC(C)=O)OC(C)=O)[C@@H](OC(C)=O)[C@@H]1NC(C)=O ZINC000004963022 570420110 /nfs/dbraw/zinc/42/01/10/570420110.db2.gz SZULVJAZHGQZQY-YXMSTPNBSA-N 0 0 391.442 0.396 40 0 GCABRN CO[C@@H]1[C@H](COC(C)=O)O[C@@H](n2cnc3c2nc[nH]c3=S)[C@H]1OC(C)=O ZINC000004963117 570420162 /nfs/dbraw/zinc/42/01/62/570420162.db2.gz WXKATFNIWVHVSU-XDYICZGBSA-N 0 0 382.398 0.896 40 0 GCABRN CC(=O)c1c(C)cc2cccc(O[C@H]3O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]3O)c2c1O ZINC000005085271 570428701 /nfs/dbraw/zinc/42/87/01/570428701.db2.gz FZUPKYUANHOYBD-MUKCLNALSA-N 0 0 378.377 0.235 40 0 GCABRN O=C(COc1ccc(-n2cccn2)nn1)NCc1ccnc(N2CCCC2)n1 ZINC000224204693 570436938 /nfs/dbraw/zinc/43/69/38/570436938.db2.gz BBAGRPRVMSSQMU-UHFFFAOYSA-N 0 0 380.412 0.748 40 0 GCABRN CC(=O)NCCNc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccccc1F ZINC000035291098 570458604 /nfs/dbraw/zinc/45/86/04/570458604.db2.gz VYEWZTIEMVNUKH-UHFFFAOYSA-N 0 0 388.403 0.169 40 0 GCABRN Cc1cc(C)n(C(=O)c2ccc3c(c2)N(CC(=O)N2CCOCC2)C(=O)CO3)n1 ZINC000035312315 570467578 /nfs/dbraw/zinc/46/75/78/570467578.db2.gz QQZWPTMDDYYJKS-UHFFFAOYSA-N 0 0 398.419 0.773 40 0 GCABRN O=C(CN1CCOCC1)c1ccc2c(c1)oc(=O)n2CCN1CCOCC1 ZINC000031872756 570507151 /nfs/dbraw/zinc/50/71/51/570507151.db2.gz MMXXGWXDMPFTDX-UHFFFAOYSA-N 0 0 375.425 0.442 40 0 GCABRN CCCn1c(SCC(=O)N2CCCCC2)nc2c1c(=O)n(C)c(=O)n2C ZINC000000880865 570508047 /nfs/dbraw/zinc/50/80/47/570508047.db2.gz XKBBFUZHTJSURS-UHFFFAOYSA-N 0 0 379.486 0.948 40 0 GCABRN CCn1c(=O)c2c(nc(SCC(=O)N3CCCCCC3)n2C)n(C)c1=O ZINC000000887183 570510946 /nfs/dbraw/zinc/51/09/46/570510946.db2.gz JDJJAHJGGGCCNK-UHFFFAOYSA-N 0 0 379.486 0.948 40 0 GCABRN O=C(NC[C@H]1CO[C@@H]2CN(C(=O)c3n[nH]c4c3CCC4)C[C@H]12)c1cccnc1 ZINC000575405977 570521845 /nfs/dbraw/zinc/52/18/45/570521845.db2.gz WEDBMJBEALTOAP-YSVLISHTSA-N 0 0 381.436 0.810 40 0 GCABRN CNC(=O)[C@@H]1COC2(CN(C(=O)[C@H]3Cc4ccccc4O3)C2)CN1CC1CC1 ZINC000575406231 570522373 /nfs/dbraw/zinc/52/23/73/570522373.db2.gz WEGJWUHKWSKWMX-FUHWJXTLSA-N 0 0 385.464 0.428 40 0 GCABRN C[C@H]1CCC[C@H](C)N1C(=O)CSc1nc2c(c(=O)n(C)c(=O)n2C)n1C ZINC000000928655 570539806 /nfs/dbraw/zinc/53/98/06/570539806.db2.gz VKQZTYJZTDECDD-QWRGUYRKSA-N 0 0 379.486 0.852 40 0 GCABRN CC(=O)N[C@H]1[C@H](OC(C)C)O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000034654313 570542339 /nfs/dbraw/zinc/54/23/39/570542339.db2.gz KMIQMFHPUJUDMC-WRQOLXDDSA-N 0 0 389.401 0.068 40 0 GCABRN CCN1CCN(S(=O)(=O)c2ccc(OC)c(N3C(=O)CCC3=O)c2)CC1 ZINC000225326748 570564894 /nfs/dbraw/zinc/56/48/94/570564894.db2.gz JCYOXBZJNSTEDL-UHFFFAOYSA-N 0 0 381.454 0.675 40 0 GCABRN CCOc1ccc(N([C@H](C)C(=O)N2CCN(C=O)CC2)S(C)(=O)=O)cc1 ZINC000010283625 570567515 /nfs/dbraw/zinc/56/75/15/570567515.db2.gz KPXQUSHNAPAFIV-CQSZACIVSA-N 0 0 383.470 0.540 40 0 GCABRN O=C(NC1CC1)C1CCN(S(=O)(=O)c2ccc(-n3cnnn3)cc2)CC1 ZINC000001361805 570576516 /nfs/dbraw/zinc/57/65/16/570576516.db2.gz SIVVVIOVKQERFD-UHFFFAOYSA-N 0 0 376.442 0.342 40 0 GCABRN COc1ccc(S(=O)(=O)NCCN2CCOCC2)cc1N1CCCC1=O ZINC000038771389 570583285 /nfs/dbraw/zinc/58/32/85/570583285.db2.gz WJKYNTMFPGCMHR-UHFFFAOYSA-N 0 0 383.470 0.433 40 0 GCABRN O=C(Nc1ccccc1F)[C@@H]1CC(=O)Nc2nc(N3CCOCC3)[nH]c(=O)c21 ZINC000038828127 570583419 /nfs/dbraw/zinc/58/34/19/570583419.db2.gz YXCXSQYJJINGCG-SNVBAGLBSA-N 0 0 387.371 0.810 40 0 GCABRN COc1ccc(NC(=O)[C@@H]2CC(=O)Nc3nc(N4CCOCC4)[nH]c(=O)c32)cc1 ZINC000038828105 570583534 /nfs/dbraw/zinc/58/35/34/570583534.db2.gz CBCVTMOVQZKUQO-CYBMUJFWSA-N 0 0 399.407 0.680 40 0 GCABRN Cc1ccc2c(c1)C(=O)N[C@]1(CCC(=O)N(CC(=O)N3CCOCC3)CC1)O2 ZINC000012085704 570606164 /nfs/dbraw/zinc/60/61/64/570606164.db2.gz YOLIISGUORGFGP-HXUWFJFHSA-N 0 0 387.436 0.685 40 0 GCABRN CCn1c(SCC(=O)N2CCCC[C@H]2C)nc2c1c(=O)n(C)c(=O)n2C ZINC000004161087 570619753 /nfs/dbraw/zinc/61/97/53/570619753.db2.gz LMRRVJKYHCDKNH-LLVKDONJSA-N 0 0 379.486 0.947 40 0 GCABRN CCOC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(-n3cnnn3)c(C)c2)C1 ZINC000004216488 570623651 /nfs/dbraw/zinc/62/36/51/570623651.db2.gz FDCNQIWMRJRVJR-ZDUSSCGKSA-N 0 0 379.442 0.935 40 0 GCABRN COc1cccc(N(CCCC(=O)N2CCC(C(N)=O)CC2)S(C)(=O)=O)c1 ZINC000225841408 570624709 /nfs/dbraw/zinc/62/47/09/570624709.db2.gz UGGXFQRZJRZHRY-UHFFFAOYSA-N 0 0 397.497 0.965 40 0 GCABRN O=C(O[C@@H]1[C@H](O)[C@H](O)[C@H](CO)O[C@@H]1Oc1ccccc1CO)c1ccccc1 ZINC000043199457 570625667 /nfs/dbraw/zinc/62/56/67/570625667.db2.gz FWPNCAYVELBDRB-ZIVNCQHPSA-N 0 0 390.388 0.222 40 0 GCABRN CC(=O)N[C@@H](Cc1ccccc1)C(=O)NC1CCN(C(=O)c2cnccn2)CC1 ZINC000004373748 570626502 /nfs/dbraw/zinc/62/65/02/570626502.db2.gz KWKKPWHGCJUURR-SFHVURJKSA-N 0 0 395.463 0.945 40 0 GCABRN COCCN(CC(=O)NC[C@@H]1CCCO1)C(=O)CCC(=O)Nc1cc(C)on1 ZINC000004354929 570627505 /nfs/dbraw/zinc/62/75/05/570627505.db2.gz YQRUKMXUYWXJCS-AWEZNQCLSA-N 0 0 396.444 0.472 40 0 GCABRN Cc1ccc(S(=O)(=O)NCCNC(=O)c2cnc3sccn3c2=O)cc1 ZINC000043751817 570630206 /nfs/dbraw/zinc/63/02/06/570630206.db2.gz FCHNZNABLWPLRQ-UHFFFAOYSA-N 0 0 392.462 0.773 40 0 GCABRN COCCCNC(=S)Nc1nc(N2CCOCC2)cc(N2CCOCC2)n1 ZINC000225900720 570631787 /nfs/dbraw/zinc/63/17/87/570631787.db2.gz NIQMXOXZMPWDDL-UHFFFAOYSA-N 0 0 396.517 0.473 40 0 GCABRN COc1ccc([C@H](CC(=O)NCCN2CCOCC2)NS(C)(=O)=O)cc1 ZINC000225957730 570636849 /nfs/dbraw/zinc/63/68/49/570636849.db2.gz GPXPHCZLYGRFAM-INIZCTEOSA-N 0 0 385.486 0.124 40 0 GCABRN COc1ccc(S(=O)(=O)NCCCN2CCOCC2)cc1N1CCCC1=O ZINC000044885034 570638951 /nfs/dbraw/zinc/63/89/51/570638951.db2.gz YTLKNNSRCQBFGH-UHFFFAOYSA-N 0 0 397.497 0.823 40 0 GCABRN O=C(c1cccnc1)N1CCN(CCN2C(=O)[C@H]3[C@H]4C=C[C@H](C4)[C@@H]3C2=O)CC1 ZINC000012561412 570680292 /nfs/dbraw/zinc/68/02/92/570680292.db2.gz PGYHHLNKTGLNSE-MVJTYMMSSA-N 0 0 380.448 0.647 40 0 GCABRN COC(=O)[C@H]1CN(C(=O)[C@H]2CCCN(S(C)(=O)=O)C2)c2ccccc2O1 ZINC000260752159 570702990 /nfs/dbraw/zinc/70/29/90/570702990.db2.gz XSAAIZSBBFIVNW-SWLSCSKDSA-N 0 0 382.438 0.625 40 0 GCABRN CN(C)S(=O)(=O)N1CCC[C@H](C(=O)NC[C@H]2COc3ccccc3O2)C1 ZINC000260905630 570714139 /nfs/dbraw/zinc/71/41/39/570714139.db2.gz RFUYZJVCQGFMEU-KBPBESRZSA-N 0 0 383.470 0.461 40 0 GCABRN COc1cc(N2CC3(C2)[C@H](COc2ccccn2)CCS3(=O)=O)ncn1 ZINC000247867306 570716832 /nfs/dbraw/zinc/71/68/32/570716832.db2.gz BHKRTNDUZBLNGJ-ZDUSSCGKSA-N 0 0 376.438 0.953 40 0 GCABRN CNC(=O)[C@H]1CN(C(=O)CCn2c3cc(C)ccc3oc2=O)CCN1C(C)C ZINC000257200506 570760176 /nfs/dbraw/zinc/76/01/76/570760176.db2.gz ADPLKUXMWLURQL-MRXNPFEDSA-N 0 0 388.468 0.960 40 0 GCABRN CN(CC1(O)CCN(c2ccnc3ccncc32)CC1)C(=O)COCC(=O)[O-] ZINC000257201864 570760291 /nfs/dbraw/zinc/76/02/91/570760291.db2.gz AJIXZCIZIVKXAY-UHFFFAOYSA-N 0 0 388.424 0.521 40 0 GCABRN O=C(CCc1nc2ccccc2[nH]1)N1C[C@@H](O)[C@H](n2cc(F)c(=O)[nH]c2=O)C1 ZINC000257227561 570764062 /nfs/dbraw/zinc/76/40/62/570764062.db2.gz FPXPLMNRAVEFBB-ZIAGYGMSSA-N 0 0 387.371 0.341 40 0 GCABRN Cc1cn([C@@H]2CN(C(=O)CCn3cnc4ccccc43)C[C@H]2O)c(=O)[nH]c1=O ZINC000257239708 570768018 /nfs/dbraw/zinc/76/80/18/570768018.db2.gz HQKZKEKCMRLLHK-HZPDHXFCSA-N 0 0 383.408 0.442 40 0 GCABRN CNc1ncnc2c1ncn2[C@@H]1CC[C@@H](NC(=O)c2ccc(C)nc2)[C@@H](O)[C@@H]1O ZINC000257241418 570768429 /nfs/dbraw/zinc/76/84/29/570768429.db2.gz HXZDUEUONPADSL-RRCSTGOVSA-N 0 0 397.439 0.427 40 0 GCABRN Cc1n[nH]c(C)c1CCC(=O)N1CC[C@H](n2cc(C)c(=O)[nH]c2=O)[C@@](C)(O)C1 ZINC000257242988 570768756 /nfs/dbraw/zinc/76/87/56/570768756.db2.gz IFBUQQVKSQMRMV-KXBFYZLASA-N 0 0 389.456 0.754 40 0 GCABRN COC(=O)C1CCN(C(=O)COc2ccc(CN(C)S(C)(=O)=O)cc2)CC1 ZINC000013670793 570770320 /nfs/dbraw/zinc/77/03/20/570770320.db2.gz WQRNCQRHEBCVOR-UHFFFAOYSA-N 0 0 398.481 0.868 40 0 GCABRN Cc1c(F)cccc1NC(=O)CN1CC[C@@]2(CCCN2S(C)(=O)=O)[C@@H](O)C1 ZINC000257254706 570771092 /nfs/dbraw/zinc/77/10/92/570771092.db2.gz KEICJYZNVXMNCU-WMZOPIPTSA-N 0 0 399.488 0.933 40 0 GCABRN O=C(Cn1c(=O)oc2ccccc21)N1CC[C@H](O)[C@@H](N2CCOCC2)CC1 ZINC000257269088 570772904 /nfs/dbraw/zinc/77/29/04/570772904.db2.gz MOMQACQUYNCIBY-HOCLYGCPSA-N 0 0 375.425 0.279 40 0 GCABRN CNC(=O)c1cnn2c1nccc2C1CCN(C(=O)[C@@H]2CCCN2C(C)=O)CC1 ZINC000257275897 570774377 /nfs/dbraw/zinc/77/43/77/570774377.db2.gz NRLHIPDDCJRDFS-KRWDZBQOSA-N 0 0 398.467 0.806 40 0 GCABRN Nc1nc2c(c(N)n1)C[C@@]1(COCC[N@H+](Cc3ccc(/C=C/C(=O)[O-])cc3)C1)O2 ZINC000257322440 570781552 /nfs/dbraw/zinc/78/15/52/570781552.db2.gz WFZSVGHNMDJTNL-RRFGBZISSA-N 0 0 397.435 0.945 40 0 GCABRN Cc1cc(=O)oc2cc(O[C@]3(C)O[C@H](CO)[C@](C)(O)[C@](C)(O)[C@@]3(C)O)ccc12 ZINC000012358926 570805777 /nfs/dbraw/zinc/80/57/77/570805777.db2.gz VERJTZMTVXTWPT-DABHTEOTSA-N 0 0 394.420 0.841 40 0 GCABRN CCn1c(N2CCN(C(=O)c3ccccc3)CC2)nc2c1c(=O)n(C)c(=O)n2C ZINC000012481768 570807068 /nfs/dbraw/zinc/80/70/68/570807068.db2.gz OCTSHNJXKOAIFO-UHFFFAOYSA-N 0 0 396.451 0.416 40 0 GCABRN Cn1nc(C(=O)NCCn2nnn(-c3cccs3)c2=O)c2ccccc2c1=O ZINC000072341065 570881027 /nfs/dbraw/zinc/88/10/27/570881027.db2.gz YKCAFEISBLVCMR-UHFFFAOYSA-N 0 0 397.420 0.167 40 0 GCABRN CN(Cc1ccc(OCC(=O)N2CCC(C(N)=O)CC2)cc1)S(C)(=O)=O ZINC000014400037 570884996 /nfs/dbraw/zinc/88/49/96/570884996.db2.gz AKBVKEKZSCQXIW-UHFFFAOYSA-N 0 0 383.470 0.181 40 0 GCABRN Cc1cc(=O)oc2cc(O[C@]3(C)O[C@H](CO)[C@](C)(O)[C@@](C)(O)[C@]3(C)O)ccc12 ZINC000257345103 570910870 /nfs/dbraw/zinc/91/08/70/570910870.db2.gz VERJTZMTVXTWPT-MTEHYEEQSA-N 0 0 394.420 0.841 40 0 GCABRN COCCn1nnnc1[C@@H](c1cc(OC)ccc1OC)N1CCN(C)CC1 ZINC000019589820 570927844 /nfs/dbraw/zinc/92/78/44/570927844.db2.gz XKOMBEHTPSUWTG-QGZVFWFLSA-N 0 0 376.461 0.674 40 0 GCABRN COC[C@H]1CC2(CN1S(C)(=O)=O)CCN(C(=O)Cc1ccn(C)n1)CC2 ZINC000585103519 570932231 /nfs/dbraw/zinc/93/22/31/570932231.db2.gz HQZZVEBYFCQWAI-OAHLLOKOSA-N 0 0 384.502 0.252 40 0 GCABRN CCS(=O)(=O)N1C[C@H]2Cc3nnc(C(=O)NCc4ccccc4)n3C[C@H]2C1 ZINC000306123658 570935796 /nfs/dbraw/zinc/93/57/96/570935796.db2.gz ATFZHZGFBXHLDE-HUUCEWRRSA-N 0 0 389.481 0.662 40 0 GCABRN COc1ccc(CN2Cc3ncnn3C[C@@H](C(=O)N3CCN(C)CC3)C2)cc1 ZINC000306125015 570936455 /nfs/dbraw/zinc/93/64/55/570936455.db2.gz CEPWSHVBRNGGNR-KRWDZBQOSA-N 0 0 384.484 0.693 40 0 GCABRN CN1CCCN(C(=O)c2cn3c(nc2=O)[C@@]2(CC3)CCN(C(=O)C3CC3)C2)CC1 ZINC000306126281 570936800 /nfs/dbraw/zinc/93/68/00/570936800.db2.gz DROUVMJIVQMXMY-NRFANRHFSA-N 0 0 399.495 0.305 40 0 GCABRN O=C(c1cccc(O)c1)N1CC2(C1)[C@@H](COc1ncccn1)CCS2(=O)=O ZINC000306126536 570936904 /nfs/dbraw/zinc/93/69/04/570936904.db2.gz DYPKJVWISVJFPB-CQSZACIVSA-N 0 0 389.433 0.891 40 0 GCABRN Cc1cc(C)nc(N2CC[C@@H]3[C@@H](CO[C@H]3CC(=O)NC3CS(=O)(=O)C3)C2)n1 ZINC000585109492 570937500 /nfs/dbraw/zinc/93/75/00/570937500.db2.gz UICGVCIYHNOPJH-BMFZPTHFSA-N 0 0 394.497 0.238 40 0 GCABRN CS(=O)(=O)N1CCC[C@@H](c2nc(C(=O)NCCCCO)c3ccccn32)C1 ZINC000306126565 570937564 /nfs/dbraw/zinc/93/75/64/570937564.db2.gz DYZCNQYAHFHBDU-CQSZACIVSA-N 0 0 394.497 0.976 40 0 GCABRN O=C(NC1CCCC1)c1nnc2n1CCN1CCN(C(=O)C3CC(F)C3)C[C@@H]21 ZINC000585109914 570938522 /nfs/dbraw/zinc/93/85/22/570938522.db2.gz LAFLWYJUSQPKKR-PIMMBPRGSA-N 0 0 390.463 0.898 40 0 GCABRN Cn1cc(C(=O)N2C[C@H]3OC[C@H](C(=O)N4CCCCO4)[C@H]3C2)c(C(F)F)n1 ZINC000585108412 570940283 /nfs/dbraw/zinc/94/02/83/570940283.db2.gz HSPWBNJHGPWFHO-KGYLQXTDSA-N 0 0 384.383 0.999 40 0 GCABRN Cc1noc(CC(=O)N2CC[C@H]3C[C@H](C(=O)NCc4cccnc4)O[C@@H]3C2)n1 ZINC000585108910 570940654 /nfs/dbraw/zinc/94/06/54/570940654.db2.gz CRSXMEVVOOEHOO-ARFHVFGLSA-N 0 0 385.424 0.638 40 0 GCABRN Cc1cccc(C(=O)N2C[C@H]3Cn4c(nn(CC5CCC5)c(=O)c4=O)[C@@H]3C2)n1 ZINC000306133350 570940942 /nfs/dbraw/zinc/94/09/42/570940942.db2.gz MJFFDINYFYMWKH-LSDHHAIUSA-N 0 0 381.436 0.778 40 0 GCABRN CC(=O)N[C@H]1[C@@H](OC(C)=O)[C@@H](O)[C@@H](CO)O[C@H]1Oc1ccc2ccccc2c1 ZINC000253476001 570950303 /nfs/dbraw/zinc/95/03/03/570950303.db2.gz FRTSLPFLUVGQPA-LCWAXJCOSA-N 0 0 389.404 0.733 40 0 GCABRN COCCNC(=O)CN1c2c(cnn2-c2ccc(C)cc2)C2=NCCN2C1=O ZINC000019213430 570961357 /nfs/dbraw/zinc/96/13/57/570961357.db2.gz RPEDHKSCSSGGDW-UHFFFAOYSA-N 0 0 382.424 0.946 40 0 GCABRN Cc1nc2c(c(=O)[nH]1)C[C@H]1CC[C@@H](C2)N1C(=O)C1CCN(S(C)(=O)=O)CC1 ZINC000019286303 570969626 /nfs/dbraw/zinc/96/96/26/570969626.db2.gz VLZDJOLZTMSLHZ-KGLIPLIRSA-N 0 0 394.497 0.208 40 0 GCABRN COCC(=O)N1C[C@H](C(=O)NC(C)C)[C@@H](c2ccnc(N3CCOCC3)n2)C1 ZINC000019450151 570985075 /nfs/dbraw/zinc/98/50/75/570985075.db2.gz BWNIDRFHVCMEKE-GJZGRUSLSA-N 0 0 391.472 0.026 40 0 GCABRN CCC(=O)N1CCC[C@@H](c2nc3c(c(=O)[nH]2)CN(S(=O)(=O)N(C)C)CC3)C1 ZINC000019498761 570991129 /nfs/dbraw/zinc/99/11/29/570991129.db2.gz GFMDEDHFAWHYQU-GFCCVEGCSA-N 0 0 397.501 0.050 40 0 GCABRN CNC(=O)[C@H]1CN(C(=O)c2cn(CCOC)c3ccccc23)CCN1C(C)=O ZINC000585168381 570996308 /nfs/dbraw/zinc/99/63/08/570996308.db2.gz KVTWEJYOMXOPTI-GOSISDBHSA-N 0 0 386.452 0.707 40 0 GCABRN CCN1C[C@@H](C(=O)N2CCC[C@@H]2c2ncc3c(n2)CCN(C(C)=O)C3)CC1=O ZINC000019526919 570997767 /nfs/dbraw/zinc/99/77/67/570997767.db2.gz LCMRPHCCNOZERN-WMLDXEAASA-N 0 0 385.468 0.913 40 0 GCABRN O=C(NC[C@@]1(O)COCCN(C(=O)c2cc3ccccc3[nH]2)C1)c1cnccn1 ZINC000585183674 571001210 /nfs/dbraw/zinc/00/12/10/571001210.db2.gz ZWNMKHYDXZOHHO-FQEVSTJZSA-N 0 0 395.419 0.591 40 0 GCABRN CN1CCN(c2cc(CCNS(=O)(=O)N3CCCC3)nc(C3CC3)n2)CC1 ZINC000019590093 571017054 /nfs/dbraw/zinc/01/70/54/571017054.db2.gz DLCKKYVYOCWSIO-UHFFFAOYSA-N 0 0 394.545 0.579 40 0 GCABRN COCCC(=O)N1CCCC[C@H]1c1nc2c(c(=O)[nH]1)CCN(S(C)(=O)=O)C2 ZINC000019593171 571019748 /nfs/dbraw/zinc/01/97/48/571019748.db2.gz BFFFLBGCJCNNMB-AWEZNQCLSA-N 0 0 398.485 0.178 40 0 GCABRN CN(CCNC(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1)c1ccccc1 ZINC000019655124 571022823 /nfs/dbraw/zinc/02/28/23/571022823.db2.gz AZNCMNBSDWVKEW-HNNXBMFYSA-N 0 0 392.481 0.405 40 0 GCABRN CC(C)(C(=O)N1CCN(S(=O)(=O)N2CCOCC2)CC1)c1cccc(F)c1 ZINC000019666135 571027790 /nfs/dbraw/zinc/02/77/90/571027790.db2.gz WWCCGVYFGHEPNX-UHFFFAOYSA-N 0 0 399.488 0.825 40 0 GCABRN CCn1nc(C)c(NC(=O)CN2CCN(S(=O)(=O)N3CCCC3)CC2)c1C ZINC000019715462 571037218 /nfs/dbraw/zinc/03/72/18/571037218.db2.gz WVOUUZPMRJTUEA-UHFFFAOYSA-N 0 0 398.533 0.417 40 0 GCABRN Cc1nn(C)c(C)c1C[C@H](C)NC(=O)c1cc(C)nc2c1c(=O)[nH]c(=O)n2C ZINC000019716361 571038313 /nfs/dbraw/zinc/03/83/13/571038313.db2.gz REPLMIBJOHEXAJ-JTQLQIEISA-N 0 0 384.440 0.642 40 0 GCABRN CCN1C(=O)[C@H]2CN(C(=O)c3cn4ccccc4n3)CCN2C12CCOCC2 ZINC001772595265 1187054429 /nfs/dbraw/zinc/05/44/29/1187054429.db2.gz HTVXCVMHVJJFQH-MRXNPFEDSA-N 0 0 383.452 0.830 40 0 GCABRN Cc1cc2n(n1)C1(CCN(S(=O)(=O)c3cnn(C)c3)CC1)CC(=O)N2C ZINC001772596117 1187058331 /nfs/dbraw/zinc/05/83/31/1187058331.db2.gz FWPWCDHBIAHUNY-UHFFFAOYSA-N 0 0 378.458 0.472 40 0 GCABRN CC(=O)N[C@H]1[C@@H](OC(C)=O)[C@H](O)[C@@H](CO)O[C@H]1Oc1ccc2ccccc2c1 ZINC000253476003 1199175042 /nfs/dbraw/zinc/17/50/42/1199175042.db2.gz FRTSLPFLUVGQPA-USYVTKNRSA-N 0 0 389.404 0.733 40 0 GCABRN COCC(=O)N1CCO[C@H](c2cc(C(=O)N(C)CCO)c3ccccc3n2)C1 ZINC000019762787 1199840793 /nfs/dbraw/zinc/84/07/93/1199840793.db2.gz CFQWAOCOWYLEML-SFHVURJKSA-N 0 0 387.436 0.845 40 0 GCABRN