smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C(CSC1=Nc2ccccc2C2=NC(CC(=O)NC3CCCCC3)C(=O)N21)NCc1ccco1 ZINC000002967968 194185606 /nfs/dbraw/zinc/18/56/06/194185606.db2.gz PJDFICYTYKCMAB-FQEVSTJZSA-N 0 3 493.589 3.127 50 0 JGAAHN CC[C@@H](C)NC(=O)CSC1=Nc2ccccc2C2=NC(CC(=O)NCc3ccc(F)cc3)C(=O)N21 ZINC000002968308 194186239 /nfs/dbraw/zinc/18/62/39/194186239.db2.gz BFCBHWDZHDMAAB-QRWLVFNGSA-N 0 3 495.580 3.139 50 0 JGAAHN CC[C@H](C)NC(=O)CSC1=Nc2ccccc2C2=NC(CC(=O)NCCc3ccccc3)C(=O)N21 ZINC000002968724 194186509 /nfs/dbraw/zinc/18/65/09/194186509.db2.gz OMUMXNDBMZATCR-LAUBAEHRSA-N 0 3 491.617 3.042 50 0 JGAAHN COc1cc(CN2CCC[C@@H](C(=O)N3CCN(c4ccccc4)CC3)C2)cc(OC)c1OC ZINC000009933447 195025329 /nfs/dbraw/zinc/02/53/29/195025329.db2.gz QPZVFGVBNYSKDW-OAQYLSRUSA-N 0 3 453.583 3.273 50 0 JGAAHN CN(C)Cc1cccc(CNC(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccc(Br)cc2)c1 ZINC000012751763 195106132 /nfs/dbraw/zinc/10/61/32/195106132.db2.gz BVDOKHCKZBUXHE-NRFANRHFSA-N 0 3 494.455 3.370 50 0 JGAAHN COc1ccc([C@@H](CNC(=O)[C@H](NS(=O)(=O)c2ccc(Cl)cc2)C(C)C)N(C)C)cc1 ZINC000012807422 195142645 /nfs/dbraw/zinc/14/26/45/195142645.db2.gz ILNZIFVKVLGSGB-NHCUHLMSSA-N 0 3 468.019 3.071 50 0 JGAAHN C[C@@H](C(=O)NC1CCN(Cc2ccccc2)CC1)N1C(=O)N2CCc3c4ccccc4[nH]c3[C@@]2(C)C1=O ZINC000012866794 195161713 /nfs/dbraw/zinc/16/17/13/195161713.db2.gz OYWCMRLTNOLTBE-SLQAJWMNSA-N 0 3 499.615 3.373 50 0 biogenic JGAAHN O=C(NCCCN1CCN(Cc2ccccc2)CC1)[C@H]1CC(=O)N(c2ccc(F)c(Cl)c2)C1 ZINC000020688422 195205561 /nfs/dbraw/zinc/20/55/61/195205561.db2.gz YOBAJSNTYSPXAT-FQEVSTJZSA-N 0 3 472.992 3.156 50 0 JGAAHN COc1ccc(C(=O)NCc2ccccc2CN(C)C)cc1S(=O)(=O)N1C[C@H](C)C[C@@H](C)C1 ZINC000021405341 195301005 /nfs/dbraw/zinc/30/10/05/195301005.db2.gz QLPVUIVOQHSINQ-RTBURBONSA-N 0 3 473.639 3.353 50 0 JGAAHN O=C(COCc1cc(-c2cccs2)on1)NCCCN1CCN(Cc2ccccc2)CC1 ZINC000021528165 195306280 /nfs/dbraw/zinc/30/62/80/195306280.db2.gz GLQPVGBSWIFMSR-UHFFFAOYSA-N 0 3 454.596 3.244 50 0 JGAAHN O=C(NCCCN1CCc2ccccc2C1)c1cccn1-c1nnc(N2CCCCC2)s1 ZINC000021535491 195311099 /nfs/dbraw/zinc/31/10/99/195311099.db2.gz GTAKJJFFZLWMDX-UHFFFAOYSA-N 0 3 450.612 3.497 50 0 JGAAHN COc1ccc(CCN2CCC(CNS(=O)(=O)c3ccc4c(c3)CCCC(=O)N4)CC2)cc1 ZINC000021888217 195325498 /nfs/dbraw/zinc/32/54/98/195325498.db2.gz PGFJKNMMEGKLAM-UHFFFAOYSA-N 0 3 471.623 3.203 50 0 JGAAHN Cc1ccc(CN2CC[C@@H](CNC(=O)Cn3c4ccccc4n(Cc4ccccc4)c(=O)c3=O)C2)cc1 ZINC000021944447 195340355 /nfs/dbraw/zinc/34/03/55/195340355.db2.gz UUOBJBLUKICJAW-VWLOTQADSA-N 0 3 496.611 3.158 50 0 JGAAHN CC(C)[C@H](NC(=O)c1ccccc1F)C(=O)Nc1cc(C(=O)NCCN(C)C)ccc1Cl ZINC000058154287 195367219 /nfs/dbraw/zinc/36/72/19/195367219.db2.gz SHQSJMZRFXFJTD-FQEVSTJZSA-N 0 3 462.953 3.164 50 0 JGAAHN C[C@@H]1CN(CC2CCN(CC(=O)Nc3cccc(I)c3)CC2)C[C@H](C)O1 ZINC000058224410 195374371 /nfs/dbraw/zinc/37/43/71/195374371.db2.gz HKVRWPAIAMZYBL-IYBDPMFKSA-N 0 3 471.383 3.051 50 0 JGAAHN CCCN1CCN(CCCNC(=O)CCCn2nc(C)c3sc4ccccc4c3c2=O)CC1 ZINC000020467142 519857350 /nfs/dbraw/zinc/85/73/50/519857350.db2.gz QJRFZGJEBBVMQS-UHFFFAOYSA-N 0 3 469.655 3.234 50 0 JGAAHN CCCN1CCN(CCCNC(=O)[C@@H]2c3ccccc3C(=O)N(CCOC)[C@H]2c2cccs2)CC1 ZINC000020508183 519858047 /nfs/dbraw/zinc/85/80/47/519858047.db2.gz YIFJWCXWHQZUSY-RPBOFIJWSA-N 0 3 498.693 3.209 50 0 JGAAHN CCOC[C@@H](O)CN(CCc1nc(-c2cc(OC)c(OC)c(OC)c2)no1)Cc1ccccc1 ZINC000036154803 520093080 /nfs/dbraw/zinc/09/30/80/520093080.db2.gz YTZLUPYSXDZNDS-FQEVSTJZSA-N 0 3 471.554 3.205 50 0 JGAAHN CCC[C@@]1(C2CCN(C(=O)Cc3cccs3)CC2)NC(=O)N(CC[C@H]2CCCN2C)C1=O ZINC000014980556 520955714 /nfs/dbraw/zinc/95/57/14/520955714.db2.gz HUMREEASPZCSKQ-DVECYGJZSA-N 0 3 460.644 3.104 50 0 JGAAHN CCC(=O)N(CCN(C)C)CC(=O)Nc1nc(-c2ccc(OC)cc2)cn1-c1ccc(OC)cc1 ZINC000036055628 521087281 /nfs/dbraw/zinc/08/72/81/521087281.db2.gz MDVFSYPZUPXHCK-UHFFFAOYSA-N 0 3 479.581 3.295 50 0 JGAAHN CCOC(=O)c1[nH]c(C)c(CCC(=O)N2CCC(C(=O)NCCN(C)Cc3ccccc3)CC2)c1C ZINC000046046279 521365311 /nfs/dbraw/zinc/36/53/11/521365311.db2.gz VXOCILPIFSKXSN-UHFFFAOYSA-N 0 3 496.652 3.228 50 0 JGAAHN CCN1C(=O)N(CCCc2cccnc2)C(=O)C12CCN(Cc1ccc(C(=O)OC)cc1)CC2 ZINC000014732415 521524197 /nfs/dbraw/zinc/52/41/97/521524197.db2.gz CMZZNRCXIKMSAN-UHFFFAOYSA-N 0 3 464.566 3.120 50 0 JGAAHN CC[NH+]1CCN(Cc2ccc([N-]S(=O)(=O)c3ccc4c(c3)N(C(C)=O)CCCS4)cc2)CC1 ZINC000064952321 521689308 /nfs/dbraw/zinc/68/93/08/521689308.db2.gz RMNGZQCYGSZZQP-UHFFFAOYSA-N 0 3 488.679 3.474 50 0 JGAAHN CCN1CCN(c2ccc(NC(=O)[C@@H]3CCCN(S(=O)(=O)c4ccc(F)cc4)C3)cc2C)CC1 ZINC000016300209 521699363 /nfs/dbraw/zinc/69/93/63/521699363.db2.gz UJHBKOQUDADJTN-HXUWFJFHSA-N 0 3 488.629 3.315 50 0 JGAAHN COC(=O)c1c(C)[nH]c(C(=O)N2CCC(CC(=O)N3CCN(C4CCCCC4)CC3)CC2)c1C ZINC000045973934 521749240 /nfs/dbraw/zinc/74/92/40/521749240.db2.gz NPFPEFMUYPEGTC-UHFFFAOYSA-N 0 3 472.630 3.137 50 0 JGAAHN COCCn1cc(C(=O)NCCCN(C)Cc2ccccc2)c2c3ccccc3n(C)c2c1=O ZINC000004788869 522080014 /nfs/dbraw/zinc/08/00/14/522080014.db2.gz YMFTWGQMHRRNEM-UHFFFAOYSA-N 0 3 460.578 3.392 50 0 JGAAHN COCCCN(Cc1c(-c2ccccc2)noc1N1CCOCC1)C[C@@H](O)COCC(C)C ZINC000036150970 523263052 /nfs/dbraw/zinc/26/30/52/523263052.db2.gz RWYRMKZTCKJXOZ-JOCHJYFZSA-N 0 3 461.603 3.050 50 0 JGAAHN COCCCN1C(=O)N(Cc2ccc(OC)cc2)C(=O)C12CCN(Cc1cccc(O)c1)CC2 ZINC000014740903 523288350 /nfs/dbraw/zinc/28/83/50/523288350.db2.gz UWTVXXGPUGTQCH-UHFFFAOYSA-N 0 3 467.566 3.236 50 0 JGAAHN CC[C@]1(C2CCN(Cc3cccc(O)c3)CC2)NC(=O)N(C[C@H]2COc3ccccc3O2)C1=O ZINC000014883650 523607156 /nfs/dbraw/zinc/60/71/56/523607156.db2.gz HNHAWFHSLPJSCC-HFZDXXHNSA-N 0 3 465.550 3.145 50 0 JGAAHN CCn1nc(C)c(CN2CCC([C@@]3(CC)NC(=O)N(C[C@@H]4COc5ccccc5O4)C3=O)CC2)c1C ZINC000014990841 523640498 /nfs/dbraw/zinc/64/04/98/523640498.db2.gz QLCXUSOXSWARLM-JIPXPUAJSA-N 0 3 495.624 3.272 50 0 JGAAHN CCn1nc(C)c(CNC2CCN(c3ccc(C(=O)N4CCC[C@H](CO)C4)cc3)CC2)c1C ZINC000012245487 523645016 /nfs/dbraw/zinc/64/50/16/523645016.db2.gz ZPSNZLBUPTUPNH-NRFANRHFSA-N 0 3 453.631 3.123 50 0 JGAAHN CN1C(=O)N(CCCc2ccncc2)C(=O)C12CCN(Cc1cc3c(cc1Cl)OCO3)CC2 ZINC000014741819 523715166 /nfs/dbraw/zinc/71/51/66/523715166.db2.gz LJFQFGMECLXHCH-UHFFFAOYSA-N 0 3 470.957 3.325 50 0 JGAAHN CC[C@H](C)NC(=O)c1cc([N-]S(=O)(=O)c2ccc(C)c(Cl)c2)ccc1N1CC[NH2+]CC1 ZINC000021664347 523996961 /nfs/dbraw/zinc/99/69/61/523996961.db2.gz HHOJQTNUJWWMJP-INIZCTEOSA-N 0 3 465.019 3.387 50 0 JGAAHN C[C@@H]1CCCCN1CCNC(=O)c1ccc(N2CCCCC2)c(S(=O)(=O)N2CCCCC2)c1 ZINC000033053203 524112425 /nfs/dbraw/zinc/11/24/25/524112425.db2.gz ZNSUIAADDQJXHQ-OAQYLSRUSA-N 0 3 476.687 3.456 50 0 JGAAHN COc1ccc2cc3n(c2c1)C[C@](C)(C(=O)NC1CCCCC1)N(CCN1CCCC1)C3=O ZINC000021856312 525643993 /nfs/dbraw/zinc/64/39/93/525643993.db2.gz VWHDFTMRNVULJF-AREMUKBSSA-N 0 3 452.599 3.409 50 0 JGAAHN COc1cccc(CN[C@@H]2CCc3c(c(C(=O)N4CCc5ccccc5C4)nn3C)C2)c1OC ZINC000014742486 526034907 /nfs/dbraw/zinc/03/49/07/526034907.db2.gz MNFRZYHVXQYSAZ-OAQYLSRUSA-N 0 3 460.578 3.283 50 0 JGAAHN O=C(NCCN1CCCCC1)c1cccc(CN2c3ccccc3C(=O)N3CCC[C@@H]3C2=O)c1 ZINC000035458799 526307950 /nfs/dbraw/zinc/30/79/50/526307950.db2.gz XUKRJHXDFRWGND-XMMPIXPASA-N 0 3 460.578 3.054 50 0 JGAAHN O=C(NCCN1CCCCC1)[C@H](C1CCCC1)N1CCN(C(=O)c2cccc(Cl)c2)CC1 ZINC000036255078 526308023 /nfs/dbraw/zinc/30/80/23/526308023.db2.gz FDQIHZODWWVVAZ-QHCPKHFHSA-N 0 3 461.050 3.259 50 0 JGAAHN O=C(CC1CCN(S(=O)(=O)c2cccs2)CC1)NC1CCN(Cc2ccccc2)CC1 ZINC000035459715 526367661 /nfs/dbraw/zinc/36/76/61/526367661.db2.gz YIFCTGSYYFVKCC-UHFFFAOYSA-N 0 3 461.653 3.320 50 0 JGAAHN O=C(COCc1nnc(C(=O)Nc2cccc(Cl)c2)s1)N1CCN(C2CCCCC2)CC1 ZINC000033256919 526942142 /nfs/dbraw/zinc/94/21/42/526942142.db2.gz NUMBRWNSGBTEMK-UHFFFAOYSA-N 0 3 478.018 3.437 50 0 JGAAHN O=C1c2cccc3cccc(c32)C(=O)N1CCNCCN1C(=O)c2cccc3cccc(c32)C1=O ZINC000005662601 527127127 /nfs/dbraw/zinc/12/71/27/527127127.db2.gz UPLUIYHKSADQOZ-UHFFFAOYSA-N 0 3 463.493 3.475 50 0 JGAAHN Cn1cnc2c(C(=O)NCC3CCN(Cc4ccccc4F)CC3)nn(-c3ccc(F)cc3)c2c1=O ZINC000064998409 527491843 /nfs/dbraw/zinc/49/18/43/527491843.db2.gz VBQZADWWPVPYRN-UHFFFAOYSA-N 0 3 492.530 3.039 50 0 JGAAHN O=C(NC1CCN(Cc2ccccc2)CC1)c1ccc([C@@H]2Nc3ccccc3S(=O)(=O)N2)cc1 ZINC000033063209 527531364 /nfs/dbraw/zinc/53/13/64/527531364.db2.gz PGPDZHNXFOEDLE-RUZDIDTESA-N 0 3 476.602 3.484 50 0 JGAAHN O=C(NC1CCN(Cc2ccccc2)CC1)[C@H]1CCCN(C(=O)N2CCOc3ccccc32)C1 ZINC000020489355 527531550 /nfs/dbraw/zinc/53/15/50/527531550.db2.gz KVRQBCHTKSSAQP-QFIPXVFZSA-N 0 3 462.594 3.498 50 0 JGAAHN CC[C@]1(C)Cc2c3c(nc(N4CCOCC4)c2CO1)sc1c3ncnc1NCCN(C)C ZINC000002371590 554170669 /nfs/dbraw/zinc/17/06/69/554170669.db2.gz VKOVTRRGQJASBF-HSZRJFAPSA-N 0 3 456.616 3.291 50 0 JGAAHN CCN1CCC[C@H]1CNC(=O)[C@]1(O)c2cc(Br)ccc2NC(=O)N1c1ccccc1 ZINC000002457824 554222505 /nfs/dbraw/zinc/22/25/05/554222505.db2.gz RMKFLSCSBFETSJ-HTAPYJJXSA-N 0 3 473.371 3.247 50 0 JGAAHN COc1cccc(N2C(=O)C(N3C(=O)c4ccccc4C3=O)[C@@H]2c2cc(OC)c(OC)c(OC)c2)c1 ZINC000002475668 554225242 /nfs/dbraw/zinc/22/52/42/554225242.db2.gz QVFKYBFTZWLGLM-GOTSBHOMSA-N 0 3 488.496 3.474 50 0 JGAAHN COc1cc2c(c(OC)c1OC)-c1ccc(NCCCN(C)C)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000008917793 554813288 /nfs/dbraw/zinc/81/32/88/554813288.db2.gz GVCZPLCHMWLMKG-FQEVSTJZSA-N 0 3 469.582 3.227 50 0 biogenic JGAAHN CCN1CCC[C@@H]1CNC(=O)Cn1ncc2c3ccccc3n(Cc3ccccc3C)c2c1=O ZINC000008933141 554826831 /nfs/dbraw/zinc/82/68/31/554826831.db2.gz KFMICCLGJCFFKN-OAQYLSRUSA-N 0 3 457.578 3.308 50 0 JGAAHN CC(C)N(CCCNC(=O)c1nn(C)c2c1CS(=O)(=O)c1ccccc1-2)Cc1ccccc1 ZINC000009405592 555164830 /nfs/dbraw/zinc/16/48/30/555164830.db2.gz IWZXFHQRQACHQV-UHFFFAOYSA-N 0 3 466.607 3.405 50 0 JGAAHN CCN(CC)c1ccc2nnc(CCC(=O)NCC3CCN(Cc4ccc(F)cc4)CC3)n2n1 ZINC000009431076 555199725 /nfs/dbraw/zinc/19/97/25/555199725.db2.gz HXUQMTJXXRIJAN-UHFFFAOYSA-N 0 3 467.593 3.071 50 0 JGAAHN O=C(CCc1nc2ccccc2n(CCc2ccccc2)c1=O)N1CCN(c2ccncc2)CC1 ZINC000009494437 555278438 /nfs/dbraw/zinc/27/84/38/555278438.db2.gz YTFOSUFSJAAGEB-UHFFFAOYSA-N 0 3 467.573 3.316 50 0 JGAAHN C=C1C(N2CCC(C(=O)NCCN3CCCCCC3)CC2)=NS(=O)(=O)C1c1ccc(C)c(C)c1 ZINC000009641845 555353112 /nfs/dbraw/zinc/35/31/12/555353112.db2.gz BDDUOFNJEARWCO-UHFFFAOYSA-N 0 3 486.682 3.481 50 0 JGAAHN CCN(CC)CCn1c(SCC(=O)NCCCOC)nc2c3ccccc3sc2c1=O ZINC000009664767 555374630 /nfs/dbraw/zinc/37/46/30/555374630.db2.gz BWSIVMWZMQHBTO-UHFFFAOYSA-N 0 3 462.641 3.198 50 0 JGAAHN COc1ccc([C@H](CNC(=O)c2cc(S(=O)(=O)NCc3ccco3)ccc2C)N(C)C)cc1 ZINC000009671772 555392012 /nfs/dbraw/zinc/39/20/12/555392012.db2.gz ADNUVTVBWBLJMP-QHCPKHFHSA-N 0 3 471.579 3.108 50 0 JGAAHN CCCCN(CC)Cc1ccc(CNC(=O)[C@H]2CCCN(c3nnc(N4CCCC4=O)s3)C2)o1 ZINC000009747586 555479497 /nfs/dbraw/zinc/47/94/97/555479497.db2.gz WVGMVXSQHNUKLI-SFHVURJKSA-N 0 3 488.658 3.413 50 0 JGAAHN CCOc1ccc(N2C(=O)C[C@H](NCCCN3CCN(c4cccc(Cl)c4)CC3)C2=O)cc1 ZINC000019848634 555510237 /nfs/dbraw/zinc/51/02/37/555510237.db2.gz ZHONDWQAILAUEO-QHCPKHFHSA-N 0 3 471.001 3.173 50 0 JGAAHN Cc1ccc(S(=O)(=O)NCc2ccc(C(=O)NCCN(C)Cc3ccccc3)cc2)cc1 ZINC000009833402 555535819 /nfs/dbraw/zinc/53/58/19/555535819.db2.gz CXSDTDBTIQESNR-UHFFFAOYSA-N 0 3 451.592 3.335 50 0 JGAAHN Cn1c2nc3n(c2c(=O)n(CCN2CCCCC2)c1=O)CCN3c1ccc(Oc2ccccc2)cc1 ZINC000010233738 555658793 /nfs/dbraw/zinc/65/87/93/555658793.db2.gz ALUMVICVNVMMBP-UHFFFAOYSA-N 0 3 486.576 3.327 50 0 JGAAHN Cn1ccnc1S[C@@H]1C[C@@H](C(=O)N2CCCN(C)CC2)N(Cc2ccccc2C(F)(F)F)C1 ZINC000020202146 555696558 /nfs/dbraw/zinc/69/65/58/555696558.db2.gz FVNURJULDWONSN-QUCCMNQESA-N 0 3 481.588 3.338 50 0 JGAAHN COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CN[C@@H](C)c1cccc2ccccc21 ZINC000014183605 555725083 /nfs/dbraw/zinc/72/50/83/555725083.db2.gz XVYSLOXYXCNAMU-SFHVURJKSA-N 0 3 483.590 3.159 50 0 JGAAHN COc1ccc2c(c1)oc1c(c2=O)[C@H](c2cc(OC)c(OC)c(OC)c2)N(CCCN(C)C)C1=O ZINC000011614494 555791272 /nfs/dbraw/zinc/79/12/72/555791272.db2.gz DQAHRRIVCVHTDM-QFIPXVFZSA-N 0 3 482.533 3.324 50 0 JGAAHN COc1cccc(CO[C@H]2CN(CCc3ccccc3)C(=O)CN(C3CCN(C)CC3)C2)c1 ZINC000020543364 555806237 /nfs/dbraw/zinc/80/62/37/555806237.db2.gz ZZNMEDUKWGGAFJ-SANMLTNESA-N 0 3 451.611 3.062 50 0 JGAAHN CN1CCc2c3c(N)n[nH]c3nc(N3CCN(C(c4ccccc4)c4ccccc4)CC3)c2C1 ZINC000020547789 555806735 /nfs/dbraw/zinc/80/67/35/555806735.db2.gz ONMKCTDFJBCCIA-UHFFFAOYSA-N 0 3 453.594 3.440 50 0 JGAAHN CN1CCc2c3c(N)[nH]nc3nc(N3CCN(C(c4ccccc4)c4ccccc4)CC3)c2C1 ZINC000020547789 555806737 /nfs/dbraw/zinc/80/67/37/555806737.db2.gz ONMKCTDFJBCCIA-UHFFFAOYSA-N 0 3 453.594 3.440 50 0 JGAAHN O=C(c1cnsn1)N1CCc2c(cc(-c3cccc(F)c3)c(=O)n2CCN2CCCCC2)C1 ZINC000014531744 555819351 /nfs/dbraw/zinc/81/93/51/555819351.db2.gz ULSYOCHAWRGXPM-UHFFFAOYSA-N 0 3 467.570 3.190 50 0 JGAAHN CCn1nc(C(=O)N2CCOCC2)c2c1CC[C@@H](NCc1nc(-c3ccccc3)cs1)C2 ZINC000014535462 555824299 /nfs/dbraw/zinc/82/42/99/555824299.db2.gz VMSMPKDZFDLEEF-GOSISDBHSA-N 0 3 451.596 3.146 50 0 JGAAHN O=C(Nc1ccc2c(c1)CCC2)[C@@H]1C[C@H](C(=O)NC[C@@H]2CCCO2)CN(Cc2ccc(O)cc2)C1 ZINC000014538415 555827948 /nfs/dbraw/zinc/82/79/48/555827948.db2.gz OMRPFOHTJMJJPS-ZEVJAHDQSA-N 0 3 477.605 3.253 50 0 JGAAHN CN(C)CCN1C(=O)N[C@@](CCc2ccccc2)(C2CCN(C(=O)c3cc(F)cc(F)c3)CC2)C1=O ZINC000011815787 555830500 /nfs/dbraw/zinc/83/05/00/555830500.db2.gz NPBDZZPSUKEQID-MHZLTWQESA-N 0 3 498.574 3.302 50 0 JGAAHN CN(C)CCN1C(=O)N[C@](CCc2ccccc2)(C2CCN(C(=O)c3cc(F)cc(F)c3)CC2)C1=O ZINC000011815788 555830510 /nfs/dbraw/zinc/83/05/10/555830510.db2.gz NPBDZZPSUKEQID-HHHXNRCGSA-N 0 3 498.574 3.302 50 0 JGAAHN CCCN1CCN(CCCNC(=O)CCC(=O)N2Cc3cccc(OC)c3Oc3ncccc32)CC1 ZINC000020579355 555834205 /nfs/dbraw/zinc/83/42/05/555834205.db2.gz NBKWGOZGWKNVSC-UHFFFAOYSA-N 0 3 495.624 3.043 50 0 JGAAHN Cn1cc(Cn2cnc3sc4c(c3c2=O)CC[C@@H](NCc2cc(F)c(F)c(F)c2)C4)cn1 ZINC000015003662 555848672 /nfs/dbraw/zinc/84/86/72/555848672.db2.gz MOVWHJTUEYZYPT-CQSZACIVSA-N 0 3 459.497 3.304 50 0 JGAAHN COc1ccccc1CN1CCC2(CC[C@H](CNC(=O)CN3C[C@H](c4ccccc4)CC3=O)O2)CC1 ZINC000015005845 555850559 /nfs/dbraw/zinc/85/05/59/555850559.db2.gz PDZJQKDKTPUALM-JWQCQUIFSA-N 0 3 491.632 3.341 50 0 JGAAHN CN(C)CCN1C(=O)C[C@](CC(=O)N2CCC[C@H](c3ccccc3)C2)(c2ccccc2F)C1=O ZINC000011882411 555851086 /nfs/dbraw/zinc/85/10/86/555851086.db2.gz WXIXAYQWWYHLJC-KDYSTLNUSA-N 0 3 465.569 3.180 50 0 JGAAHN CN(C)CCN1C(=O)N[C@](CCc2ccccc2)(C2CCN(C(=O)c3ccc(F)cc3)CC2)C1=O ZINC000011910735 555858259 /nfs/dbraw/zinc/85/82/59/555858259.db2.gz QSHFGQZFMOQSIH-HHHXNRCGSA-N 0 3 480.584 3.163 50 0 JGAAHN Cc1ccc([C@H](CNC(=O)c2ccc(N3C(=O)CCS3(=O)=O)cc2)N2CCCCC2)cc1 ZINC000011998141 555880727 /nfs/dbraw/zinc/88/07/27/555880727.db2.gz RSKUXRYRKKMNKP-QFIPXVFZSA-N 0 3 455.580 3.019 50 0 JGAAHN Cc1ccc([C@@H](CNC(=O)c2cccc(N3C(=O)CCS3(=O)=O)c2)N2CCCCC2)cc1 ZINC000011998213 555880743 /nfs/dbraw/zinc/88/07/43/555880743.db2.gz HGJBFJUQMXIKBG-JOCHJYFZSA-N 0 3 455.580 3.019 50 0 JGAAHN O=C(NC[C@H](c1cccs1)N1CCCCCC1)c1ccc(N2C(=O)CCS2(=O)=O)cc1 ZINC000011998601 555881489 /nfs/dbraw/zinc/88/14/89/555881489.db2.gz DCXOCGQQKOBRHZ-LJQANCHMSA-N 0 3 461.609 3.162 50 0 JGAAHN Cc1ccccc1[C@]1(CC(=O)N2CC[C@@H](c3ccc(F)cc3)C2)CC(=O)N(CCN(C)C)C1=O ZINC000012034435 555887917 /nfs/dbraw/zinc/88/79/17/555887917.db2.gz UMBMGYXSRFXLJP-ZBLYBZFDSA-N 0 3 465.569 3.099 50 0 JGAAHN O=C(c1ccsc1)N1CCC([C@@]2(Cc3ccccc3)NC(=O)N(CCN3CCCC3)C2=O)CC1 ZINC000012039983 555892631 /nfs/dbraw/zinc/89/26/31/555892631.db2.gz LHFBDLSZOAPUNZ-AREMUKBSSA-N 0 3 480.634 3.229 50 0 JGAAHN O=C(COc1ccccc1)NCCc1nnc2n1CCN(Cc1ccccc1-c1ccco1)CC2 ZINC000012053168 555897016 /nfs/dbraw/zinc/89/70/16/555897016.db2.gz WYXBTGCKGGVRLB-UHFFFAOYSA-N 0 3 471.561 3.334 50 0 JGAAHN O=c1c2c(nc3sc(SCCN4CCCCC4)nn31)CCN(CCc1ccccc1)C2 ZINC000015414132 555905708 /nfs/dbraw/zinc/90/57/08/555905708.db2.gz KXZSMEYDRSCXPH-UHFFFAOYSA-N 0 3 455.653 3.330 50 0 JGAAHN C[C@@H](CS(=O)(=O)c1ccc2c(c1)NC(=O)[C@@H](C)S2)C(=O)N1CCC(N2CCCCC2)CC1 ZINC000015726677 555965517 /nfs/dbraw/zinc/96/55/17/555965517.db2.gz FYYLVEFQSURZNS-DLBZAZTESA-N 0 3 479.668 3.006 50 0 JGAAHN C[C@H](CS(=O)(=O)c1ccc2c(c1)NC(=O)[C@H](C)S2)C(=O)N1CCC(N2CCCCC2)CC1 ZINC000015726675 555965581 /nfs/dbraw/zinc/96/55/81/555965581.db2.gz FYYLVEFQSURZNS-SJORKVTESA-N 0 3 479.668 3.006 50 0 JGAAHN Cc1oc2ncnc(N3CCOCC3)c2c1C(=O)NCC1CCN(Cc2ccccc2F)CC1 ZINC000015727786 555966802 /nfs/dbraw/zinc/96/68/02/555966802.db2.gz PEAGJONJPKDNNQ-UHFFFAOYSA-N 0 3 467.545 3.149 50 0 JGAAHN COc1ccc([C@@H](CNCc2c(C)nn([C@H]3CCS(=O)(=O)C3)c2C)N2CCCCC2)cc1 ZINC000022921936 555975899 /nfs/dbraw/zinc/97/58/99/555975899.db2.gz ORVZJRGKYUUQQX-XUZZJYLKSA-N 0 3 460.644 3.185 50 0 JGAAHN Cc1oc(-c2ccc(C(=O)NCCCN3CCN(C)CC3)cc2)nc1C[S@@](=O)c1ccccc1 ZINC000022936600 555989381 /nfs/dbraw/zinc/98/93/81/555989381.db2.gz XZDAIWLIOOXMOI-UMSFTDKQSA-N 0 3 480.634 3.325 50 0 JGAAHN Cc1cc(C)c2c(n1)SCCN2C(=O)Nc1ccc(C(=O)NCCCN2CCN(C)CC2)cc1 ZINC000022937105 555989761 /nfs/dbraw/zinc/98/97/61/555989761.db2.gz CIKGPSGHIPVFNU-UHFFFAOYSA-N 0 3 482.654 3.210 50 0 JGAAHN O=C(NCCCN1CCN(Cc2ccccc2)CC1)[C@@H]1CCCN(c2nc3cccnc3s2)C1 ZINC000022937565 555990620 /nfs/dbraw/zinc/99/06/20/555990620.db2.gz WGMPTZDGPVNNPK-JOCHJYFZSA-N 0 3 478.666 3.232 50 0 JGAAHN CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)CN1CCCN(Cc2ccccc2)CC1 ZINC000023355063 556048604 /nfs/dbraw/zinc/04/86/04/556048604.db2.gz CHYOKSXIVKSONO-UHFFFAOYSA-N 0 3 496.652 3.467 50 0 JGAAHN O=C1CC[C@@H](N2CCN(Cc3ccc4c(c3)OCO4)CC2)CCN1Cc1ccc(F)cc1F ZINC000023361481 556049379 /nfs/dbraw/zinc/04/93/79/556049379.db2.gz XHFNPQPJZOQFLS-OAQYLSRUSA-N 0 3 457.521 3.392 50 0 JGAAHN CCN(CC)CCOC(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(Cc3ccc(C)cc3)C2)cc1 ZINC000013038516 556236839 /nfs/dbraw/zinc/23/68/39/556236839.db2.gz OHCMIKXTLAOFSA-QFIPXVFZSA-N 0 3 451.567 3.481 50 0 JGAAHN COc1ccc(CCNC(=O)CC2SC(CC(=O)Nc3ccc(C)cc3)=NC2=O)cc1OC ZINC000013096474 556290915 /nfs/dbraw/zinc/29/09/15/556290915.db2.gz NZNLIPYDDPEKNY-FQEVSTJZSA-N 0 3 469.563 3.130 50 0 JGAAHN COc1ccc(C(=O)N(CCN(C)C)Cc2cc3cc4c(cc3nc2N(C)C)OCO4)c(OC)c1 ZINC000019229072 556336404 /nfs/dbraw/zinc/33/64/04/556336404.db2.gz FIASLKPUQVYEHU-UHFFFAOYSA-N 0 3 480.565 3.251 50 0 JGAAHN CN1CCN([C@@H]2CCN(Cc3ccccc3)C[C@@H]2CCC(=O)NCc2ccc(F)cc2)CC1 ZINC000019229103 556336426 /nfs/dbraw/zinc/33/64/26/556336426.db2.gz XCZHZUNOXLHAGJ-AZGAKELHSA-N 0 3 452.618 3.360 50 0 JGAAHN COc1cc(N)c(Cl)cc1C(=O)N[C@@H]1CCN(CCCOc2ccc(F)cc2)C[C@H]1OC ZINC000029210629 556348957 /nfs/dbraw/zinc/34/89/57/556348957.db2.gz DCSUBABJRXZOMT-IFMALSPDSA-N 0 3 465.953 3.358 50 0 world JGAAHN O=C(C[C@@]1(c2cccc(F)c2)CC(=O)N(Cc2cccnc2)C1=O)N1CCN(C2CCCCC2)CC1 ZINC000019742889 556365013 /nfs/dbraw/zinc/36/50/13/556365013.db2.gz KMKQPFRXPWQPNY-NDEPHWFRSA-N 0 3 492.595 3.285 50 0 JGAAHN CCOC(=O)c1ccc(NC(=O)CC2C(=O)N(C[C@H]3CCCO3)c3nc4ccccc4n32)cc1 ZINC000019817533 556383677 /nfs/dbraw/zinc/38/36/77/556383677.db2.gz LQJXBBKDTPUNMV-NQIIRXRSSA-N 0 3 462.506 3.309 50 0 JGAAHN COC(=O)C1=C(C)N(c2ccccc2)C(=O)CC1C(=O)Nc1cc(OC)c(OC)c(OC)c1 ZINC000019819086 556387415 /nfs/dbraw/zinc/38/74/15/556387415.db2.gz AHWWAXGWYYSNBE-KRWDZBQOSA-N 0 3 454.479 3.151 50 0 JGAAHN O=C(CC1C(=O)N(CCN2CCOCC2)c2nc3ccccc3n21)Nc1ccccc1C(F)(F)F ZINC000030937564 556388359 /nfs/dbraw/zinc/38/83/59/556388359.db2.gz RYLFCFZBQGCGBH-FQEVSTJZSA-N 0 3 487.482 3.304 50 0 JGAAHN O=C(Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1)[C@H]1CC(=O)N(Cc2ccccn2)C1 ZINC000031604222 556399993 /nfs/dbraw/zinc/39/99/93/556399993.db2.gz RCPROXHCVLBIEE-QHCPKHFHSA-N 0 3 469.589 3.391 50 0 JGAAHN C[NH+](C)CCCN1CCN([C@H](C(=O)[O-])c2c[nH]c3ccc(OCc4ccccc4)cc32)CC1 ZINC000032106304 556417968 /nfs/dbraw/zinc/41/79/68/556417968.db2.gz BDYRAPUHJKVGRK-VWLOTQADSA-N 0 3 450.583 3.442 50 0 JGAAHN O=C(NCc1ccccc1C[NH+]1CCCC1)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1 ZINC000032933173 556548501 /nfs/dbraw/zinc/54/85/01/556548501.db2.gz RFHFHPMYEAFORU-UHFFFAOYSA-N 0 3 456.543 3.480 50 0 JGAAHN O=C(Cc1n[nH]c(=O)c2ccccc12)Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1 ZINC000057270697 569595055 /nfs/dbraw/zinc/59/50/55/569595055.db2.gz XDZGRNGCULTWGM-UHFFFAOYSA-N 0 3 453.546 3.427 50 0 JGAAHN C[C@H](NS(=O)(=O)c1ccccc1)C(=O)Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1 ZINC000057270701 569595184 /nfs/dbraw/zinc/59/51/84/569595184.db2.gz KMWJZSUPCFYIRE-NRFANRHFSA-N 0 3 478.618 3.314 50 0 JGAAHN Cc1nc2ncnn2c(C)c1CC(=O)Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1 ZINC000057355006 569599198 /nfs/dbraw/zinc/59/91/98/569599198.db2.gz ICRZVEAZPXRYBR-UHFFFAOYSA-N 0 3 455.566 3.245 50 0 JGAAHN O=C(NCc1cccc(OCCN2CCOCC2)c1)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000060318997 569608665 /nfs/dbraw/zinc/60/86/65/569608665.db2.gz VJGAKQWIJMTYQK-HSZRJFAPSA-N 0 3 455.574 3.065 50 0 JGAAHN Cc1ccc(NC(=O)c2nnc(COCC(=O)NC3CCN(Cc4ccccc4)CC3)s2)cc1 ZINC000032987462 569609518 /nfs/dbraw/zinc/60/95/18/569609518.db2.gz VRTBFDMEECOXIV-UHFFFAOYSA-N 0 3 479.606 3.396 50 0 JGAAHN Cc1ccc(C(=O)Nc2ccc(CN3CCC[C@@H](C(N)=O)C3)cc2)cc1S(=O)(=O)N1CCCCC1 ZINC000062633068 569613850 /nfs/dbraw/zinc/61/38/50/569613850.db2.gz ACJVRYFGBOWHCN-JOCHJYFZSA-N 0 3 498.649 3.119 50 0 JGAAHN Cc1cccc(N2CCN(CCCNC(=O)CSc3nc4ccccc4n(C)c3=O)C[C@H]2C)c1 ZINC000033006680 569614907 /nfs/dbraw/zinc/61/49/07/569614907.db2.gz SATKPIOWJXYDKX-HXUWFJFHSA-N 0 3 479.650 3.051 50 0 JGAAHN Cn1c2ccccc2nc(SCC(=O)NCCN2CCC(Cc3ccccc3)CC2)c1=O ZINC000033006654 569614911 /nfs/dbraw/zinc/61/49/11/569614911.db2.gz RSCBYYRZXRVGBA-UHFFFAOYSA-N 0 3 450.608 3.097 50 0 JGAAHN C[C@@H]1CCCCN1CCNC(=O)CC1CCN(C(=O)c2nnc(C(=O)Nc3ccccc3)s2)CC1 ZINC000033024958 569620389 /nfs/dbraw/zinc/62/03/89/569620389.db2.gz FFTVUMLJQFBYQI-GOSISDBHSA-N 0 3 498.653 3.023 50 0 JGAAHN CCCCOc1ccc(S(=O)(=O)N2CCN(c3cc(N4CCCC4)nc(C)n3)CC2)cc1 ZINC000033318388 569623118 /nfs/dbraw/zinc/62/31/18/569623118.db2.gz JGJRKDNVTRIOJH-UHFFFAOYSA-N 0 3 459.616 3.075 50 0 JGAAHN CC[C@@H](C(=O)NCCCN1CCc2ccccc2C1)n1c2ccccc2c2cnn(C)c(=O)c21 ZINC000064787534 569627868 /nfs/dbraw/zinc/62/78/68/569627868.db2.gz DLSALSHIFVFNNE-QHCPKHFHSA-N 0 3 457.578 3.404 50 0 JGAAHN CN(C)CCNC(=O)[C@H]1CCCN(c2ccc(Sc3ccc(Br)cc3)nn2)C1 ZINC000064860290 569639527 /nfs/dbraw/zinc/63/95/27/569639527.db2.gz JHQBUOWHRRCGPN-HNNXBMFYSA-N 0 3 464.433 3.285 50 0 JGAAHN C[C@@H](C(=O)NCCCN(C)Cc1ccccc1)C1CCN(S(=O)(=O)c2cccs2)CC1 ZINC000065061863 569655630 /nfs/dbraw/zinc/65/56/30/569655630.db2.gz JZRLEBSHEHWSMP-LJQANCHMSA-N 0 3 463.669 3.423 50 0 JGAAHN CCOc1ccc(-c2cc3c(=O)n(CCC(=O)N4CCN(C5CCCCC5)CC4)ccn3n2)cc1 ZINC000067262495 569683058 /nfs/dbraw/zinc/68/30/58/569683058.db2.gz YCKFRPWPWCWLLZ-UHFFFAOYSA-N 0 3 477.609 3.429 50 0 JGAAHN CCOC(=O)C1=C(CN2CCN(C3CCCCC3)CC2)NC(=O)N[C@H]1c1ccc(OCC)cc1 ZINC000067287703 569684722 /nfs/dbraw/zinc/68/47/22/569684722.db2.gz WZUJILVFTDTLPF-DEOSSOPVSA-N 0 3 470.614 3.207 50 0 JGAAHN COc1ccc(Cl)cc1C(=O)N1CCC[C@@H]1C(=O)Nc1ccc(CN2CCC[C@H](C(N)=O)C2)cc1 ZINC000068832086 569692391 /nfs/dbraw/zinc/69/23/91/569692391.db2.gz BYGOUZZXMQCPLO-PGRDOPGGSA-N 0 3 499.011 3.289 50 0 JGAAHN CCN1CCN(Cc2ccc(NC(=O)C3(S(=O)(=O)c4ccc(C)cc4)CCC3)cc2)CC1 ZINC000069946930 569694145 /nfs/dbraw/zinc/69/41/45/569694145.db2.gz XIMMIGGDSPAXRJ-UHFFFAOYSA-N 0 3 455.624 3.468 50 0 JGAAHN COc1ccccc1N(C)S(=O)(=O)c1ccc(C)c(C(=O)N2CC[C@H](N3CCCC3)C2)c1 ZINC000070012416 569694770 /nfs/dbraw/zinc/69/47/70/569694770.db2.gz SRFSRWSFCQTTQY-IBGZPJMESA-N 0 3 457.596 3.139 50 0 JGAAHN CCCC[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)NC[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000072274774 569701615 /nfs/dbraw/zinc/70/16/15/569701615.db2.gz XVRWNAKRITXEIE-GMAHTHKFSA-N 0 3 482.650 3.312 50 0 JGAAHN Cc1ccc(Oc2cccc(C(=O)N3CCN(c4cc(N5CCCC5)nc(C)n4)CC3)c2)nn1 ZINC000072437515 569704223 /nfs/dbraw/zinc/70/42/23/569704223.db2.gz IHILVTJRIDRKKO-UHFFFAOYSA-N 0 3 459.554 3.238 50 0 JGAAHN CCN1CCN(CCCNC(=O)CC2CCN(C(=O)c3cc4cc(Cl)ccc4[nH]3)CC2)CC1 ZINC000035562030 569704586 /nfs/dbraw/zinc/70/45/86/569704586.db2.gz QHVNGHBUZPNRTI-UHFFFAOYSA-N 0 3 474.049 3.207 50 0 JGAAHN COc1ccc([C@H](NCC(=O)NCCNC(=O)CN[C@H](c2ccc(OC)cc2)C(C)C)C(C)C)cc1 ZINC000095939045 569730652 /nfs/dbraw/zinc/73/06/52/569730652.db2.gz MXDZFCKKFLSGSU-HNRBIFIRSA-N 0 3 498.668 3.210 50 0 JGAAHN Cc1ccc(Cl)c(OCC(=O)c2ccc3c(c2)N(CCCC(=O)NCCN(C)C)C(=O)CO3)c1 ZINC000037275407 569782032 /nfs/dbraw/zinc/78/20/32/569782032.db2.gz PKYBJVXCFYMNMT-UHFFFAOYSA-N 0 3 487.984 3.094 50 0 JGAAHN Cc1cc(C)c(OCC(=O)c2ccc3c(c2)N(CCCC(=O)NCCN(C)C)C(=O)CO3)c(C)c1 ZINC000037275414 569782112 /nfs/dbraw/zinc/78/21/12/569782112.db2.gz VMRXIFRRQRAWJV-UHFFFAOYSA-N 0 3 481.593 3.057 50 0 JGAAHN CN(C)CCNc1nc2nn(-c3ccc(Cl)cc3)c(N)c2c(-c2ccc3c(c2)OCO3)n1 ZINC000037360017 569783906 /nfs/dbraw/zinc/78/39/06/569783906.db2.gz WGELYZHCZQVDPS-UHFFFAOYSA-N 0 3 451.918 3.420 50 0 JGAAHN Cc1cccc(-c2nc(N3CCN(CCN(C)C)CC3)nc3nn(Cc4ccccc4)c(N)c32)c1 ZINC000037360712 569784105 /nfs/dbraw/zinc/78/41/05/569784105.db2.gz VNQVIGAENNYTDM-UHFFFAOYSA-N 0 3 470.625 3.116 50 0 JGAAHN COc1ccc(S(=O)(=O)Oc2cc(CN(CCN(C)C)C(=O)C3CCC3)ccc2OC)cc1 ZINC000037400343 569788159 /nfs/dbraw/zinc/78/81/59/569788159.db2.gz SSVXRRHRLFTZQZ-UHFFFAOYSA-N 0 3 476.595 3.162 50 0 JGAAHN COc1cccc(C(=O)/N=c2\sc(C)c(C)n2Cc2ccccc2C(=O)NCCN(C)C)c1 ZINC000037427685 569789598 /nfs/dbraw/zinc/78/95/98/569789598.db2.gz QLHNPOJCWRMQJL-RFBIWTDZSA-N 0 3 466.607 3.256 50 0 JGAAHN C[C@H](C(=O)NCCN1CCCCC1)N1C(=O)COc2ccc(C(=O)COc3cccc(Cl)c3)cc21 ZINC000037511435 569791610 /nfs/dbraw/zinc/79/16/10/569791610.db2.gz ZZGIPBUNTFXADR-GOSISDBHSA-N 0 3 499.995 3.318 50 0 JGAAHN O=C1C[C@H](NC2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)C(=O)N1Cc1ccc(Cl)cc1 ZINC000101744169 569803451 /nfs/dbraw/zinc/80/34/51/569803451.db2.gz PRWFONKRBHEYLJ-FQEVSTJZSA-N 0 3 496.416 3.064 50 0 JGAAHN O=C(CCN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O)Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1 ZINC000102643842 569814805 /nfs/dbraw/zinc/81/48/05/569814805.db2.gz RSWKCINEDZSCDZ-PLQXJYEYSA-N 0 3 472.589 3.289 50 0 JGAAHN CN1CCN(CCCNC(=O)C2CCN(C(=O)c3ccc(F)cc3)CC2)[C@H](c2ccccc2)C1 ZINC000040081466 569815628 /nfs/dbraw/zinc/81/56/28/569815628.db2.gz UFRHRUQSJWZNJB-VWLOTQADSA-N 0 3 466.601 3.173 50 0 JGAAHN CN(C)Cc1ccc(-c2ccccc2CNC(=O)CN(C)S(=O)(=O)c2ccccc2)cc1 ZINC000040082868 569815819 /nfs/dbraw/zinc/81/58/19/569815819.db2.gz IWSURTXXPUDULD-UHFFFAOYSA-N 0 3 451.592 3.352 50 0 JGAAHN COC(=O)C1=C(C)N=C2SC=C(CC(=O)NC3CCN(C)CC3)N2[C@H]1c1ccccc1OC ZINC000102764092 569822651 /nfs/dbraw/zinc/82/26/51/569822651.db2.gz MSSYPLCAKSMXQT-QFIPXVFZSA-N 0 3 470.595 3.044 50 0 JGAAHN CCC1=C(C(=O)OC)[C@@H](c2cccc(OC)c2)N2C(CC(=O)NC3CCN(C)CC3)=CSC2=N1 ZINC000102763761 569822653 /nfs/dbraw/zinc/82/26/53/569822653.db2.gz WXILBKIGRGPOPI-HSZRJFAPSA-N 0 3 484.622 3.434 50 0 JGAAHN CCN1CCC[C@@H]1CNC(=O)[C@H]1c2ccccc2C(=O)N(CCOC)[C@H]1c1ccc(F)cc1 ZINC000104206424 569843099 /nfs/dbraw/zinc/84/30/99/569843099.db2.gz CSYWLVQAURXLAK-QDSKXPNFSA-N 0 3 453.558 3.353 50 0 JGAAHN CCN(C(=O)CN1C(=O)N[C@]2(CCc3ccccc32)C1=O)[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000106132160 569853805 /nfs/dbraw/zinc/85/38/05/569853805.db2.gz FNAKJDLXBACTLA-SWGGMNADSA-N 0 3 460.578 3.064 50 0 JGAAHN CCC[C@@H]1[C@@H]2C(=O)N(c3sc(C(=O)OCC)c(C)c3C(=O)OC)C(=O)C2ON1c1ccccc1 ZINC000137586804 569865115 /nfs/dbraw/zinc/86/51/15/569865115.db2.gz BZRJBFDWPMQDDN-BPQIPLTHSA-N 0 3 486.546 3.498 50 0 JGAAHN COc1ccc(Cl)cc1C(=O)N1CCC[C@@H]1C(=O)Nc1ccc(CN2CCC[C@@H](C(N)=O)C2)cc1 ZINC000195529803 569873547 /nfs/dbraw/zinc/87/35/47/569873547.db2.gz BYGOUZZXMQCPLO-XMSQKQJNSA-N 0 3 499.011 3.289 50 0 JGAAHN C[C@@H]1CCC[C@H](C)N1CCNC(=O)[C@@H]1[C@H]2C(=O)N(Cc3ccccc3Cl)C[C@@]23C=C[C@@H]1O3 ZINC000225446733 569997293 /nfs/dbraw/zinc/99/72/93/569997293.db2.gz BGRSGIWVTLNASZ-XUKXRSGUSA-N 0 3 458.002 3.001 50 0 JGAAHN Cc1[nH]c(C(=O)N2CCC[C@H](C(=O)NCCN3CCCC[C@H]3C)C2)c(C)c1C(=O)OC(C)C ZINC000245330141 570066576 /nfs/dbraw/zinc/06/65/76/570066576.db2.gz XPKYBQZPVYIRKZ-XLIONFOSSA-N 0 3 460.619 3.040 50 0 JGAAHN CN1CCCCC[C@H]1C(=O)N1CCC2(C[C@H]2C(=O)N2CCN(C/C=C/c3ccccc3)CC2)CC1 ZINC000248119782 570074482 /nfs/dbraw/zinc/07/44/82/570074482.db2.gz JPVMETMUNBNBFZ-WMLILJHUSA-N 0 3 478.681 3.347 50 0 JGAAHN O=C(c1cc2n(n1)CCCO2)N1CCC(N2CCC(Oc3ccc(C(F)(F)F)cn3)CC2)CC1 ZINC000252485790 570081850 /nfs/dbraw/zinc/08/18/50/570081850.db2.gz HEJKIBNHOXURJA-UHFFFAOYSA-N 0 3 479.503 3.227 50 0 JGAAHN O=C(c1cnn2c1OCCC2)N1CCC(N2CCN(c3cccc(C(F)(F)F)c3)CC2)CC1 ZINC000252511305 570082736 /nfs/dbraw/zinc/08/27/36/570082736.db2.gz ZXMCQABPFYLXEC-UHFFFAOYSA-N 0 3 463.504 3.111 50 0 JGAAHN Cn1nnnc1SCCCNCc1nn(Cc2ccccc2Cl)nc1-c1ccccc1 ZINC000261492448 570170095 /nfs/dbraw/zinc/17/00/95/570170095.db2.gz BCTIHNUCVPTWAD-UHFFFAOYSA-N 0 3 454.991 3.442 50 0 JGAAHN COCCN(C[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)COc1cc([O-])c2c(c1)OC(C)(C)CC2=O ZINC000263586293 570171661 /nfs/dbraw/zinc/17/16/61/570171661.db2.gz SJKIMJQHYCDPSG-AZUAARDMSA-N 0 3 474.598 3.254 50 0 JGAAHN COCCN(C[C@@H]1CCC[N@H+]2CCCC[C@H]12)C(=O)COc1cc([O-])c2c(c1)OC(C)(C)CC2=O ZINC000263586293 570171663 /nfs/dbraw/zinc/17/16/63/570171663.db2.gz SJKIMJQHYCDPSG-AZUAARDMSA-N 0 3 474.598 3.254 50 0 JGAAHN O=C(NCCN1CCOCC1)c1ccc(N2CCC(NCc3nc4ccccc4s3)CC2)cc1 ZINC000299764786 570174969 /nfs/dbraw/zinc/17/49/69/570174969.db2.gz LLEHULHZITTYMI-UHFFFAOYSA-N 0 3 479.650 3.117 50 0 JGAAHN COc1cc(=O)n2c(c1C(=O)N1CCCC1)CCN(Cc1ccc(CN3CCCCC3)s1)CC2 ZINC000299769577 570175663 /nfs/dbraw/zinc/17/56/63/570175663.db2.gz OHAJMJZIBOUJIC-UHFFFAOYSA-N 0 3 484.666 3.199 50 0 JGAAHN CCCCNC(=O)CC1N=C2c3ccccc3N=C(SCC(=O)Nc3ccc(OC)cc3)N2C1=O ZINC000002968068 194186147 /nfs/dbraw/zinc/18/61/47/194186147.db2.gz HHHKYPIDUUJJFR-HXUWFJFHSA-N 0 3 493.589 3.332 50 0 JGAAHN COc1cc([C@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2CCCN(C)C)cc(OC)c1OC ZINC000003655679 194352646 /nfs/dbraw/zinc/35/26/46/194352646.db2.gz NNTCVPHXPDILGV-NRFANRHFSA-N 0 3 470.497 3.455 50 0 JGAAHN COc1cc(N)c(Cl)cc1C(=O)N[C@H]1CCN(CCCOc2ccc(F)cc2)C[C@H]1OC ZINC000004215367 194385056 /nfs/dbraw/zinc/38/50/56/194385056.db2.gz DCSUBABJRXZOMT-RBBKRZOGSA-N 0 3 465.953 3.358 50 0 world JGAAHN O=C1c2cccc3cccc(c32)C(=O)N1CC1CCN(C[C@@H](O)COc2ccc3c(c2)OCO3)CC1 ZINC000004178348 194383288 /nfs/dbraw/zinc/38/32/88/194383288.db2.gz QILPOGYMVGMBGU-HXUWFJFHSA-N 0 3 488.540 3.316 50 0 JGAAHN CCOC(=O)c1c(-c2ccccc2Cl)csc1NC(=O)CNCCCN1CCOCC1 ZINC000012600854 195046090 /nfs/dbraw/zinc/04/60/90/195046090.db2.gz BKEQTYIGWUHVIB-UHFFFAOYSA-N 0 3 466.003 3.496 50 0 JGAAHN COC(=O)c1ccc(N2CCC(CCC(=O)N[C@@H]3CCN(Cc4ccccc4)C3)CC2)nc1 ZINC000012710781 195094837 /nfs/dbraw/zinc/09/48/37/195094837.db2.gz CLXWZKBUGHRFIL-HSZRJFAPSA-N 0 3 450.583 3.256 50 0 JGAAHN O=C(NC[C@@H](c1cccs1)N1CCCC1)C1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1 ZINC000012744629 195101900 /nfs/dbraw/zinc/10/19/00/195101900.db2.gz IHXAXSOHHIMGSW-INIZCTEOSA-N 0 3 493.559 3.374 50 0 JGAAHN O=C(/C=C/c1ccc(S(=O)(=O)N2CCCCCC2)cc1)N1CCN(c2ccncc2)CC1 ZINC000012761531 195111108 /nfs/dbraw/zinc/11/11/08/195111108.db2.gz FOHZYJXJXMGREB-JXMROGBWSA-N 0 3 454.596 3.008 50 0 JGAAHN COc1ccc([C@H](CNC(=O)[C@H](NS(=O)(=O)c2ccc(Cl)cc2)C(C)C)N(C)C)cc1 ZINC000012807427 195142582 /nfs/dbraw/zinc/14/25/82/195142582.db2.gz ILNZIFVKVLGSGB-LEWJYISDSA-N 0 3 468.019 3.071 50 0 JGAAHN COc1ccc2c(C)c(CCC(=O)NCC3(N4CCN(C)CC4)CCCCC3)c(=O)oc2c1 ZINC000020622097 195190264 /nfs/dbraw/zinc/19/02/64/195190264.db2.gz HWTHONVGDQFJNJ-UHFFFAOYSA-N 0 3 455.599 3.109 50 0 JGAAHN Cc1nn(CCC(=O)Nc2ccc(CN3CCCCC3)cc2)c(C)c1S(=O)(=O)N1CCCC1 ZINC000021029351 195269441 /nfs/dbraw/zinc/26/94/41/195269441.db2.gz RRMYPUBLPTYTTD-UHFFFAOYSA-N 0 3 473.643 3.299 50 0 JGAAHN O=C1CCCc2cc(S(=O)(=O)N3CCC[C@@H](CN4CCc5ccccc5C4)C3)ccc2N1 ZINC000021888191 195325441 /nfs/dbraw/zinc/32/54/41/195325441.db2.gz UFJRHDHDLYCESG-IBGZPJMESA-N 0 3 453.608 3.420 50 0 JGAAHN O=C(Cn1cnc2ccccc2c1=O)Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1 ZINC000058160487 195368692 /nfs/dbraw/zinc/36/86/92/195368692.db2.gz JHSVNVSMYSMDHZ-UHFFFAOYSA-N 0 3 453.546 3.357 50 0 JGAAHN CC(C)[C@@H](NC(=O)c1ccccc1Cl)C(=O)N1CCC(CN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000058312881 195376928 /nfs/dbraw/zinc/37/69/28/195376928.db2.gz BDSGMXLTBQKKPZ-JBYIUTFZSA-N 0 3 450.023 3.442 50 0 JGAAHN COc1cccc(N2CCN(C[C@H]3C(=O)O[C@@H]4C[C@@]5(C)CCC[C@@](C)(OC)[C@]5(O)C[C@@H]43)CC2)c1 ZINC000061997029 195418335 /nfs/dbraw/zinc/41/83/35/195418335.db2.gz HWGAGESRKNXOOM-YTPAQXPZSA-N 0 3 472.626 3.095 50 0 biogenic JGAAHN CC(C)CN1C(=O)c2ccccc2[C@H](C(=O)NCCCN2CCN(C)CC2)[C@@H]1c1cccs1 ZINC000020508376 519719848 /nfs/dbraw/zinc/71/98/48/519719848.db2.gz FVSSZORXGNLFCA-ZEQRLZLVSA-N 0 3 468.667 3.439 50 0 JGAAHN CCCN1CCN(CCCNC(=O)[C@@H](CC)n2nc(C)c3sc4ccccc4c3c2=O)CC1 ZINC000020467077 519857959 /nfs/dbraw/zinc/85/79/59/519857959.db2.gz QUONJMFSXROQNV-HXUWFJFHSA-N 0 3 469.655 3.405 50 0 JGAAHN CCCN1CCN(CCCNC(=O)c2cc(S(=O)(=O)N3CCCCCC3)ccc2Cl)CC1 ZINC000033131376 519858272 /nfs/dbraw/zinc/85/82/72/519858272.db2.gz RENHSDLGPJQTAA-UHFFFAOYSA-N 0 3 485.094 3.052 50 0 JGAAHN CCCCCCOc1ccc(N2C(=O)C[C@@H](N3CCC(C(N)=O)(N4CCCCC4)CC3)C2=O)cc1 ZINC000004177295 520104958 /nfs/dbraw/zinc/10/49/58/520104958.db2.gz FRCNKMKLDNYMFK-HSZRJFAPSA-N 0 3 484.641 3.083 50 0 JGAAHN CCOC(=O)C1=C(CN2CCN(Cc3cccc4ccccc43)CC2)NC(=O)N[C@@H]1c1ccco1 ZINC000022810831 520514691 /nfs/dbraw/zinc/51/46/91/520514691.db2.gz SWDDYGMBKMLQGH-RUZDIDTESA-N 0 3 474.561 3.422 50 0 JGAAHN CCN(CC)C(=O)[C@H]1CCCN(Cc2ccc3c(c2)CN(Cc2cnn(C)c2C)CCO3)C1 ZINC000014958662 520540031 /nfs/dbraw/zinc/54/00/31/520540031.db2.gz LNMUTFXFIHOZBP-QFIPXVFZSA-N 0 3 453.631 3.204 50 0 JGAAHN CCN(CC)CCNC(=O)c1cn(CC)c2ccc(S(=O)(=O)N(C)C3CCCCC3)cc2c1=O ZINC000008596722 520685367 /nfs/dbraw/zinc/68/53/67/520685367.db2.gz XKPUSUGIFHEWBJ-UHFFFAOYSA-N 0 3 490.670 3.046 50 0 JGAAHN CCOc1cc(CNCCSc2nnnn2-c2ccccc2)ccc1OCC(=O)NC(C)(C)C ZINC000016688915 520715584 /nfs/dbraw/zinc/71/55/84/520715584.db2.gz XPBNAJNGNRVZSK-UHFFFAOYSA-N 0 3 484.626 3.236 50 0 JGAAHN CCN(CC)S(=O)(=O)c1ccc(C)c(NC(=O)CN2CCCN(Cc3ccccc3)CC2)c1 ZINC000022807729 520792633 /nfs/dbraw/zinc/79/26/33/520792633.db2.gz VCKRBRJKQICERP-UHFFFAOYSA-N 0 3 472.655 3.172 50 0 JGAAHN CCC[C@@]1(C2CCN(C(=O)Cc3cccs3)CC2)NC(=O)N(CC[C@@H]2CCCN2C)C1=O ZINC000014980548 520955861 /nfs/dbraw/zinc/95/58/61/520955861.db2.gz HUMREEASPZCSKQ-CYFREDJKSA-N 0 3 460.644 3.104 50 0 JGAAHN CCN(CCN(C)C)C(=O)[C@H]1CCCN(S(=O)(=O)c2c(C)noc2/C=C/c2ccc(C)cc2)C1 ZINC000033059086 521042170 /nfs/dbraw/zinc/04/21/70/521042170.db2.gz UCAMXMKSNWBWLP-TWLJRWAQSA-N 0 3 488.654 3.273 50 0 JGAAHN CCN(CCN(C)C)C(=O)C1CCN(S(=O)(=O)c2c(C)noc2/C=C/c2ccc(C)cc2)CC1 ZINC000033058774 521043595 /nfs/dbraw/zinc/04/35/95/521043595.db2.gz QUCUJQIHVHKFGF-VAWYXSNFSA-N 0 3 488.654 3.273 50 0 JGAAHN CCC(=O)N1CCc2cc(Br)c(S(=O)(=O)N3CCC(N4CCCCC4)CC3)cc21 ZINC000044139545 521155244 /nfs/dbraw/zinc/15/52/44/521155244.db2.gz YCXIPHHUWDEFOT-UHFFFAOYSA-N 0 3 484.460 3.387 50 0 JGAAHN CCC[C@]1(C2CCN(Cc3cc(OC)cc(OC)c3)CC2)NC(=O)N(C[C@H]2CCCO2)C1=O ZINC000014882013 521313169 /nfs/dbraw/zinc/31/31/69/521313169.db2.gz IMSKTOHHVZQJJQ-CJFMBICVSA-N 0 3 459.587 3.186 50 0 JGAAHN CN(C)[C@@H](CNC(=O)CCc1nc2cc(S(=O)(=O)N3CCCCC3)ccc2n1C)c1ccccc1 ZINC000016599078 522011089 /nfs/dbraw/zinc/01/10/89/522011089.db2.gz OZGFZBULDRRLJB-DEOSSOPVSA-N 0 3 497.665 3.100 50 0 JGAAHN COCCCN1C(=O)N(Cc2ccccc2)C(=O)C12CCN(Cc1cccc3nccnc13)CC2 ZINC000014752286 523289051 /nfs/dbraw/zinc/28/90/51/523289051.db2.gz WGOBWIVJKYDYBC-UHFFFAOYSA-N 0 3 473.577 3.465 50 0 JGAAHN CCn1nc(C(=O)N(C)Cc2ccco2)c2c1CC[C@H](N1CCC(N3C[C@@H](C)O[C@@H](C)C3)CC1)C2 ZINC000014743487 523609046 /nfs/dbraw/zinc/60/90/46/523609046.db2.gz SNPJAZXLGASRCG-VWPQPMDRSA-N 0 3 483.657 3.199 50 0 JGAAHN COCCN1C(=O)N(C2Cc3ccccc3C2)C(=O)C12CCN(Cc1ccc(NC(C)=O)cc1)CC2 ZINC000014536567 523799721 /nfs/dbraw/zinc/79/97/21/523799721.db2.gz TWGQATJMVCFHMX-UHFFFAOYSA-N 0 3 490.604 3.058 50 0 JGAAHN COc1ccc(CCN2C(=O)N(C)C(=O)C23CCN(Cc2ccc(NC(C)=O)cc2)CC3)cc1 ZINC000014740457 523944854 /nfs/dbraw/zinc/94/48/54/523944854.db2.gz NPGVREVRFOEHTB-UHFFFAOYSA-N 0 3 464.566 3.125 50 0 JGAAHN CN(C(=O)c1cnn(-c2nccc(-c3ccc4c(c3)OCO4)n2)c1C1CC1)C1CCN(C)CC1 ZINC000014995200 523960992 /nfs/dbraw/zinc/96/09/92/523960992.db2.gz XVEYLIZBFRHVQZ-UHFFFAOYSA-N 0 3 460.538 3.102 50 0 JGAAHN 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Cc1cc(OCC(=O)c2ccc3c(c2)N(CC(=O)NCCN2CCCC2)C(=O)CO3)cc(C(C)C)c1 ZINC000037512039 569791942 /nfs/dbraw/zinc/79/19/42/569791942.db2.gz JVPUXFHGKCWDOZ-UHFFFAOYSA-N 0 3 493.604 3.318 50 0 JGAAHN C[C@@H](C(=O)NCCN1CCCCC1)N1C(=O)COc2ccc(C(=O)COc3ccccc3Cl)cc21 ZINC000037512221 569792025 /nfs/dbraw/zinc/79/20/25/569792025.db2.gz RBKNEIVKSQJZCY-SFHVURJKSA-N 0 3 499.995 3.318 50 0 JGAAHN CCc1cccc(OCC(=O)c2ccc3c(c2)N([C@H](C)C(=O)NCCN2CCCCC2)C(=O)CO3)c1 ZINC000037512256 569792035 /nfs/dbraw/zinc/79/20/35/569792035.db2.gz SJQLOILVYNJUET-HXUWFJFHSA-N 0 3 493.604 3.227 50 0 JGAAHN COC(=O)c1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(O)c(OC)c4)[C@H]3C2=O)cc1 ZINC000102713509 569816956 /nfs/dbraw/zinc/81/69/56/569816956.db2.gz WASNZCDMELQKKI-XPWALMASSA-N 0 3 474.469 3.239 50 0 JGAAHN COC1CCN(Cc2ccc(C(=O)NCc3ccc(S(=O)(=O)N4CCCC4)s3)cc2)CC1 ZINC000040153136 569820360 /nfs/dbraw/zinc/82/03/60/569820360.db2.gz DAFUHSHTSMNRIC-UHFFFAOYSA-N 0 3 477.652 3.073 50 0 JGAAHN CC1CCN(CCCNS(=O)(=O)c2cc3c(cc2Br)CCN3C(=O)C2CC2)CC1 ZINC000040450528 569828518 /nfs/dbraw/zinc/82/85/18/569828518.db2.gz FZZQDSXSLAQLQQ-UHFFFAOYSA-N 0 3 484.460 3.149 50 0 JGAAHN CCOC(=O)C1=C(C)N=C2SC=C(CC(=O)N3CC[C@@H](N(C)C)C3)N2[C@@H]1c1cccc(OC)c1 ZINC000103052701 569832283 /nfs/dbraw/zinc/83/22/83/569832283.db2.gz ATBQTINIQACGFX-WZONZLPQSA-N 0 3 484.622 3.386 50 0 JGAAHN COc1ccc2c(c1)N1CCN(c3ccc(C)cc3)C[C@@H]1[C@@H](C(=O)NCCN1CCCCC1)C2 ZINC000169679410 569869726 /nfs/dbraw/zinc/86/97/26/569869726.db2.gz GXNDPRDZNOJOCV-AHKZPQOWSA-N 0 3 462.638 3.473 50 0 JGAAHN CCCCN(C)CCNC(=O)[C@@H]1c2ccccc2C(=O)N2CCc3cc(OC)c(OC)cc3[C@@H]12 ZINC000169773557 569872432 /nfs/dbraw/zinc/87/24/32/569872432.db2.gz QHJSFMZXNJYNLD-RPBOFIJWSA-N 0 3 465.594 3.389 50 0 JGAAHN COC(=O)c1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(O)c(OC)c2)cc1 ZINC000230007207 570043452 /nfs/dbraw/zinc/04/34/52/570043452.db2.gz WASNZCDMELQKKI-YTFSRNRJSA-N 0 3 474.469 3.239 50 0 JGAAHN 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ZINC000261492210 570169986 /nfs/dbraw/zinc/16/99/86/570169986.db2.gz VNQOZTHBQAZIJY-UHFFFAOYSA-N 0 3 465.554 3.112 50 0 JGAAHN Cc1cccc(C(=O)Nc2nc3c(s2)C(=O)C[C@@H](C(=O)NCC(C)(C)CN(C)C)C3)c1C ZINC000299766727 570175334 /nfs/dbraw/zinc/17/53/34/570175334.db2.gz HALLCVBKBKADCW-INIZCTEOSA-N 0 3 456.612 3.461 50 0 JGAAHN COc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)N4CCN5CCC[C@@H]5C4)cc3n2)cc1OC ZINC000000999560 194000616 /nfs/dbraw/zinc/00/06/16/194000616.db2.gz YTFFNTUHKXBGGP-OAHLLOKOSA-N 0 3 475.471 3.353 50 0 JGAAHN CC[C@@H](C)NC(=O)CSC1=Nc2ccccc2C2=NC(CC(=O)NCc3ccc(F)cc3)C(=O)N21 ZINC000002968313 194186133 /nfs/dbraw/zinc/18/61/33/194186133.db2.gz BFCBHWDZHDMAAB-FOIQADDNSA-N 0 3 495.580 3.139 50 0 JGAAHN CC[C@H](C)NC(=O)CSC1=Nc2ccccc2C2=NC(CC(=O)NCc3ccc(F)cc3)C(=O)N21 ZINC000002968314 194186160 /nfs/dbraw/zinc/18/61/60/194186160.db2.gz BFCBHWDZHDMAAB-MGPUTAFESA-N 0 3 495.580 3.139 50 0 JGAAHN CC[C@H](C)NC(=O)CSC1=Nc2ccccc2C2=NC(CC(=O)NCCc3ccccc3)C(=O)N21 ZINC000002968721 194186516 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O=C(NCCCN1CCN(Cc2ccccc2)CC1)C1CCN(c2nc3ccccc3[nH]2)CC1 ZINC000021162136 195287686 /nfs/dbraw/zinc/28/76/86/195287686.db2.gz SKOUQSQBFOUYDH-UHFFFAOYSA-N 0 3 460.626 3.103 50 0 JGAAHN Cc1ccc(CN2CC[C@H](CNC(=O)Cn3c4ccccc4n(Cc4ccccc4)c(=O)c3=O)C2)cc1 ZINC000021944450 195340295 /nfs/dbraw/zinc/34/02/95/195340295.db2.gz UUOBJBLUKICJAW-RUZDIDTESA-N 0 3 496.611 3.158 50 0 JGAAHN C[C@@H]1CCCN(CCNC(=O)c2cccnc2SCC(=O)Nc2ccc3c(c2)OCO3)C1 ZINC000058423434 195379168 /nfs/dbraw/zinc/37/91/68/195379168.db2.gz NGBMFTPGENTDLK-MRXNPFEDSA-N 0 3 456.568 3.003 50 0 JGAAHN CCCCCN(CC(=O)N(CC(C)C)c1c(N)n(CC(C)C)c(=O)[nH]c1=O)[C@H](C)CCC ZINC000058032159 195363334 /nfs/dbraw/zinc/36/33/34/195363334.db2.gz YMGRKRGCCKRXSC-LJQANCHMSA-N 0 3 451.656 3.445 50 0 JGAAHN NS(=O)(=O)c1ccc(CCNC(=O)CNC2(c3ccc(Cl)cc3)CCCCC2)cc1 ZINC000058168928 195370634 /nfs/dbraw/zinc/37/06/34/195370634.db2.gz XKJXQJBTHKHLDF-UHFFFAOYSA-N 0 3 450.004 3.095 50 0 JGAAHN Cn1cc(-c2cc3n(n2)CCC(=O)N3CC(=O)N2CCN(C3CCCCC3)CC2)c2ccccc21 ZINC000021645292 195319531 /nfs/dbraw/zinc/31/95/31/195319531.db2.gz ISUCJXMZSZKSNQ-UHFFFAOYSA-N 0 3 474.609 3.255 50 0 JGAAHN CC(C)(C)n1nnnc1SCC(=O)Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1 ZINC000014676298 519182256 /nfs/dbraw/zinc/18/22/56/519182256.db2.gz UBZURCAHDQGUDO-UHFFFAOYSA-N 0 3 465.627 3.481 50 0 JGAAHN CC(C)CC[C@@]1(C2CCN(C(=O)c3cc4ccccc4[nH]3)CC2)NC(=O)N(CCN(C)C)C1=O ZINC000014882345 519687946 /nfs/dbraw/zinc/68/79/46/519687946.db2.gz MZBTUBLONUQBLT-SANMLTNESA-N 0 3 467.614 3.309 50 0 JGAAHN CC(C)CC[C@]1(C2CCN(C(=O)Cc3c(F)cc(F)cc3F)CC2)NC(=O)N(CCN(C)C)C1=O ZINC000014986615 519695786 /nfs/dbraw/zinc/69/57/86/519695786.db2.gz LGUAFXHDPIIERZ-RUZDIDTESA-N 0 3 496.574 3.173 50 0 JGAAHN CC(=O)Nc1c(C)nn(-c2ccccc2)c1N1CCC(C(=O)NCCN2CCCCCC2)CC1 ZINC000033069307 519702034 /nfs/dbraw/zinc/70/20/34/519702034.db2.gz OPHMJQSFSVAAGL-UHFFFAOYSA-N 0 3 466.630 3.348 50 0 JGAAHN CCCN1CCN(CCCNC(=O)[C@H]2c3ccccc3C(=O)N(CCOC)[C@H]2c2cccs2)CC1 ZINC000020508181 519858033 /nfs/dbraw/zinc/85/80/33/519858033.db2.gz YIFJWCXWHQZUSY-DQEYMECFSA-N 0 3 498.693 3.209 50 0 JGAAHN CCCCN(C)C(=O)c1cc([N-]S(=O)(=O)c2ccc(CC)cc2)ccc1N1CC[NH2+]CC1 ZINC000033121183 520393364 /nfs/dbraw/zinc/39/33/64/520393364.db2.gz CIEDJSUNBKIVTN-UHFFFAOYSA-N 0 3 458.628 3.332 50 0 JGAAHN CCOC(=O)C1=C(CN2CCN(Cc3cccc4ccccc43)CC2)NC(=O)N[C@H]1c1ccco1 ZINC000022810837 520513435 /nfs/dbraw/zinc/51/34/35/520513435.db2.gz SWDDYGMBKMLQGH-VWLOTQADSA-N 0 3 474.561 3.422 50 0 JGAAHN CCN(CC)C(=O)[C@@H]1CCCN(Cc2ccc(C(=O)NCC3C4CC5CC(C4)CC3C5)c(=O)[nH]2)C1 ZINC000012333840 520528268 /nfs/dbraw/zinc/52/82/68/520528268.db2.gz RLVVVHYQQNYRRN-BCNJXKQJSA-N 0 3 482.669 3.257 50 0 JGAAHN CCOc1ccc(-c2cc3n(n2)C[C@@](C)(C(=O)NC2CCCCC2)N(CCN(C)C)C3=O)cc1 ZINC000021853362 520808772 /nfs/dbraw/zinc/80/87/72/520808772.db2.gz LPOJQEZCQXDWQP-SANMLTNESA-N 0 3 467.614 3.174 50 0 JGAAHN CCOc1ccc(CN2CCC([C@@]3(c4ccccn4)NC(=O)N(C[C@@H]4CCCO4)C3=O)CC2)cc1 ZINC000012244323 520969921 /nfs/dbraw/zinc/96/99/21/520969921.db2.gz MXOLCMRCGIXLGS-HOFKKMOUSA-N 0 3 478.593 3.319 50 0 JGAAHN CCC[C@]1(C2CCN(Cc3cc(OC)cc(OC)c3)CC2)NC(=O)N(C[C@@H]2CCCO2)C1=O ZINC000014882011 521313981 /nfs/dbraw/zinc/31/39/81/521313981.db2.gz IMSKTOHHVZQJJQ-NBGIEHNGSA-N 0 3 459.587 3.186 50 0 JGAAHN CCC[C@]1(C2CCN(C(=O)c3cccc(N(C)C)c3)CC2)NC(=O)N(CC[C@@H]2CCCN2C)C1=O ZINC000014879939 521314151 /nfs/dbraw/zinc/31/41/51/521314151.db2.gz VZBVQJXQHNSQQQ-WXVAWEFUSA-N 0 3 483.657 3.180 50 0 JGAAHN CCOC(=O)c1cnn(-c2ccc(C(=O)NCC3CCN(Cc4ccccc4F)CC3)cc2)c1N ZINC000021652177 521579203 /nfs/dbraw/zinc/57/92/03/521579203.db2.gz RKQWGAJAWNWQQN-UHFFFAOYSA-N 0 3 479.556 3.412 50 0 JGAAHN CCN1CCN(CCNC(=O)[C@H](C)C2CCN(C(=O)c3cc4cc(Cl)ccc4[nH]3)CC2)CC1 ZINC000033113951 521683053 /nfs/dbraw/zinc/68/30/53/521683053.db2.gz QFZGACPNTBMEDM-GOSISDBHSA-N 0 3 474.049 3.063 50 0 JGAAHN CCN1CCN(c2ccc(NC(=O)CN3CCN(Cc4nc5ccccc5s4)CC3)cc2)CC1 ZINC000022809129 521698020 /nfs/dbraw/zinc/69/80/20/521698020.db2.gz GUMLTFUFSWVESF-UHFFFAOYSA-N 0 3 478.666 3.195 50 0 JGAAHN CCN1CCN(c2ccc(NC(=O)[C@H]3CCCN(S(=O)(=O)c4ccc(F)cc4)C3)cc2C)CC1 ZINC000016300210 521699525 /nfs/dbraw/zinc/69/95/25/521699525.db2.gz UJHBKOQUDADJTN-FQEVSTJZSA-N 0 3 488.629 3.315 50 0 JGAAHN COc1cc(CNCCNC(=O)c2nonc2N)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000016195483 522449207 /nfs/dbraw/zinc/44/92/07/522449207.db2.gz BFMVYYXABMBSQI-UHFFFAOYSA-N 0 3 466.325 3.066 50 0 JGAAHN COc1cc(CNCCSc2nnnn2C)cc(Br)c1OCc1ccccc1 ZINC000002882982 522453737 /nfs/dbraw/zinc/45/37/37/522453737.db2.gz JESXBDZAJJTXBJ-UHFFFAOYSA-N 0 3 464.389 3.442 50 0 JGAAHN COc1cc(CN[C@H]2CCc3c(c(C(=O)N(C)Cc4ccccc4)nn3C)C2)cc(OC)c1OC ZINC000014745228 522491021 /nfs/dbraw/zinc/49/10/21/522491021.db2.gz HYWOLSWQUMEOTC-FQEVSTJZSA-N 0 3 478.593 3.365 50 0 JGAAHN COC[C@H](C)N1CCC2(CC1)C(=O)N(CCCc1cccnc1)C(=O)N2Cc1ccccc1 ZINC000014753797 522598066 /nfs/dbraw/zinc/59/80/66/522598066.db2.gz ANYCPBWVEOSTOK-NRFANRHFSA-N 0 3 450.583 3.348 50 0 JGAAHN COc1ccc(-c2cnn3c2nc(C)cc3SCC(=O)NCCN2CCCC2)cc1OC ZINC000033268938 523155070 /nfs/dbraw/zinc/15/50/70/523155070.db2.gz UATKVHIEHSAUNR-UHFFFAOYSA-N 0 3 455.584 3.026 50 0 JGAAHN COc1ccc(C(=O)NC2CCN(c3ccccc3C(=O)N(C)C3CCN(C)CC3)CC2)cc1 ZINC000037524320 523683768 /nfs/dbraw/zinc/68/37/68/523683768.db2.gz JWVJXLGELGPJIP-UHFFFAOYSA-N 0 3 464.610 3.260 50 0 JGAAHN COC(=O)[C@@H]1CCCN1C(=O)Cc1ccc(N2CCC(N3CCN(c4ccccc4)CC3)CC2)cc1 ZINC000014995379 523691702 /nfs/dbraw/zinc/69/17/02/523691702.db2.gz FKVXXKVWYKANKP-MHZLTWQESA-N 0 3 490.648 3.184 50 0 JGAAHN CC[C@@]1(C2CCN(Cc3cccc(O)c3)CC2)NC(=O)N(C[C@@H]2COc3ccccc3O2)C1=O ZINC000014883644 523735524 /nfs/dbraw/zinc/73/55/24/523735524.db2.gz HNHAWFHSLPJSCC-RLWLMLJZSA-N 0 3 465.550 3.145 50 0 JGAAHN COCCN1C(=O)N(C2Cc3ccccc3C2)C(=O)C12CCN(Cc1sccc1C)CC2 ZINC000014754257 523799496 /nfs/dbraw/zinc/79/94/96/523799496.db2.gz HGJXYGSHSTZRGA-UHFFFAOYSA-N 0 3 453.608 3.469 50 0 JGAAHN COc1ccc(CN2C(=O)N(C)C3(CCN(Cc4ccc(NC(C)=O)cc4)CC3)C2=O)cc1 ZINC000014740610 524019811 /nfs/dbraw/zinc/01/98/11/524019811.db2.gz RALXTBYWRRFHTP-UHFFFAOYSA-N 0 3 450.539 3.082 50 0 JGAAHN Cc1cccc(CN2CCCn3nc(C(=O)NCCCN4CCc5ccccc5C4)cc3C2=O)c1 ZINC000064959764 524397039 /nfs/dbraw/zinc/39/70/39/524397039.db2.gz ZBXPELQPRANEPB-UHFFFAOYSA-N 0 3 471.605 3.416 50 0 JGAAHN COc1ccccc1N1CCN(CCCNC(=O)[C@H]2CCCCN2Cc2ccccc2)CC1 ZINC000004528927 524555593 /nfs/dbraw/zinc/55/55/93/524555593.db2.gz RFDDUBQIKRMAEV-RUZDIDTESA-N 0 3 450.627 3.378 50 0 JGAAHN O=C(NCCN1CCCCCC1)c1ccc(N2CCCCC2)c(S(=O)(=O)N2CCCCC2)c1 ZINC000033053197 526309462 /nfs/dbraw/zinc/30/94/62/526309462.db2.gz AQZYCOFJOGTYPW-UHFFFAOYSA-N 0 3 476.687 3.457 50 0 JGAAHN O=C(COc1ccc(Cl)cc1)N1CCN([C@H](C(=O)NCCN2CCCCC2)C2CCCC2)CC1 ZINC000036255023 526950912 /nfs/dbraw/zinc/95/09/12/526950912.db2.gz PMXAZEOKBTULQY-VWLOTQADSA-N 0 3 491.076 3.024 50 0 JGAAHN O=C1CC[C@@H](CCNCc2cc3c(cc2Cl)OCO3)N1C[C@@H](c1ccccn1)N1CCOCC1 ZINC000014991001 526989744 /nfs/dbraw/zinc/98/97/44/526989744.db2.gz XOVLKNVAVZYNPJ-UGKGYDQZSA-N 0 3 487.000 3.008 50 0 JGAAHN O=C1C[C@H](N2CCC(N3CCN(c4ccc(F)cc4)CC3)CC2)C(=O)N1c1ccc(Cl)cc1 ZINC000009906796 527028022 /nfs/dbraw/zinc/02/80/22/527028022.db2.gz MAVOSKMDXGDCBF-QHCPKHFHSA-N 0 3 470.976 3.398 50 0 JGAAHN Cn1c2ccc(NC(=O)C(=O)NC3CCN(Cc4ccccc4)CC3)cc2nc1C(F)(F)F ZINC000044900600 527101355 /nfs/dbraw/zinc/10/13/55/527101355.db2.gz OIUSTUDAPWXQOE-UHFFFAOYSA-N 0 3 459.472 3.311 50 0 JGAAHN O=C(NCCCN1CCc2ccccc2C1)c1cc(S(=O)(=O)N2CCSCC2)ccc1Cl ZINC000033280319 527674708 /nfs/dbraw/zinc/67/47/08/527674708.db2.gz HNAJHYOJDTWDKC-UHFFFAOYSA-N 0 3 494.082 3.256 50 0 JGAAHN O[C@H](COc1ccc(OC[C@@H](O)CN2CCc3ccccc3C2)cc1)CN1CCc2ccccc2C1 ZINC000000789025 553781593 /nfs/dbraw/zinc/78/15/93/553781593.db2.gz SXQYYQFUIJJVEI-NSOVKSMOSA-N 0 3 488.628 3.283 50 0 JGAAHN O=C(c1cc2nc(-c3ccc4c(c3)OCO4)cc(C(F)(F)F)n2n1)N1CCN2CCC[C@H]2C1 ZINC000008455833 554600168 /nfs/dbraw/zinc/60/01/68/554600168.db2.gz XWJAPSMTJORAJT-AWEZNQCLSA-N 0 3 459.428 3.064 50 0 JGAAHN CN(C)[C@H](CNC(=O)c1ccc(Cl)c(S(=O)(=O)NCc2ccco2)c1)c1ccccc1 ZINC000009128300 554925014 /nfs/dbraw/zinc/92/50/14/554925014.db2.gz RQACDAMBJIHILF-HXUWFJFHSA-N 0 3 461.971 3.444 50 0 JGAAHN COc1cc(CNCCNC(=O)c2nonc2N)ccc1OCc1ccc(Cl)cc1Cl ZINC000009194356 554967994 /nfs/dbraw/zinc/96/79/94/554967994.db2.gz JEGMJYDZEZWHIP-UHFFFAOYSA-N 0 3 466.325 3.066 50 0 JGAAHN COc1ccc(-c2noc(CN3CCC(C(=O)N4CCN(C5CCCCC5)CC4)CC3)n2)cc1OC ZINC000009226021 554998577 /nfs/dbraw/zinc/99/85/77/554998577.db2.gz YCBGXKAHKBJYSJ-UHFFFAOYSA-N 0 3 497.640 3.443 50 0 JGAAHN C[C@H]1CCCCN1CCNC(=O)Cn1ccc2cc(S(=O)(=O)N3CCCCCC3)ccc21 ZINC000009276508 555048530 /nfs/dbraw/zinc/04/85/30/555048530.db2.gz RFXHHXOWPZKDFC-FQEVSTJZSA-N 0 3 460.644 3.197 50 0 JGAAHN COc1ccc([C@H](CNC(=O)c2cccc(S(=O)(=O)N3CCC[C@H](C)C3)c2)N(C)C)cc1 ZINC000009283166 555053903 /nfs/dbraw/zinc/05/39/03/555053903.db2.gz JLUAHVNIOBELFR-MBSDFSHPSA-N 0 3 459.612 3.149 50 0 JGAAHN CCN1CCN(c2ccc(NC(=O)[C@@H]3CCCN3S(=O)(=O)c3ccc(Cl)cc3)cc2)CC1 ZINC000009637438 555345077 /nfs/dbraw/zinc/34/50/77/555345077.db2.gz JHQULHYYNQPMRP-QFIPXVFZSA-N 0 3 477.030 3.274 50 0 JGAAHN CN(C(=O)CN(Cc1ccc(F)cc1)C1CCCCC1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000009639769 555349135 /nfs/dbraw/zinc/34/91/35/555349135.db2.gz SVLJTPYDGMVZFM-UHFFFAOYSA-N 0 3 493.583 3.104 50 0 JGAAHN C=C1C(N2CCC(C(=O)NCCN3CCCC[C@H]3C)CC2)=NS(=O)(=O)C1c1ccc(C)c(C)c1 ZINC000009641856 555353034 /nfs/dbraw/zinc/35/30/34/555353034.db2.gz NXQPBYQNXDJKDG-HXUWFJFHSA-N 0 3 486.682 3.479 50 0 JGAAHN O=C(CCN1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1)Nc1ccc(N2CCCC2=O)cc1 ZINC000013163334 555360827 /nfs/dbraw/zinc/36/08/27/555360827.db2.gz INRPOUNBOKMRHH-UHFFFAOYSA-N 0 3 478.549 3.221 50 0 JGAAHN CCCCN(CCCNC(=O)[C@@H]1CCCN(c2nnc(N3CCCC3=O)s2)C1)Cc1ccco1 ZINC000009747646 555479505 /nfs/dbraw/zinc/47/95/05/555479505.db2.gz MRFMIDPQSSBFRV-LJQANCHMSA-N 0 3 488.658 3.283 50 0 JGAAHN COc1ccc([C@H]2C[C@@H](C(F)(F)F)n3ncc(C(=O)N4CCN5CCC[C@@H]5C4)c3N2)cc1OC ZINC000019840868 555508610 /nfs/dbraw/zinc/50/86/10/555508610.db2.gz LRWRAZXGNVOFJN-MDYRTPRTSA-N 0 3 479.503 3.481 50 0 JGAAHN O=C(CCn1c(=O)c2ccccc2n(Cc2ccccc2)c1=O)NC1CCN(Cc2ccccc2)CC1 ZINC000013573851 555512027 /nfs/dbraw/zinc/51/20/27/555512027.db2.gz LUKWKZDXURZRMB-UHFFFAOYSA-N 0 3 496.611 3.382 50 0 JGAAHN CCc1nn(CC(=O)NCCCN(C)Cc2ccccc2)c(=O)c2cc3sc(C)cc3n21 ZINC000009848615 555550865 /nfs/dbraw/zinc/55/08/65/555550865.db2.gz VRJTZRIVRNFRHE-UHFFFAOYSA-N 0 3 451.596 3.220 50 0 JGAAHN CCOC(=O)c1[nH]c2ccc(OC)cc2c1NC(=O)CCN1CCN(Cc2ccccc2)CC1 ZINC000020171176 555680503 /nfs/dbraw/zinc/68/05/03/555680503.db2.gz JACYVLVQJKEIQR-UHFFFAOYSA-N 0 3 464.566 3.500 50 0 JGAAHN Cc1c2c(nn1-c1ccccc1)c(=O)n([C@H](C)C(=O)NCCCN1CCc3ccccc3C1)nc2C ZINC000020563281 555815132 /nfs/dbraw/zinc/81/51/32/555815132.db2.gz LPVVWSSSVHXTGZ-OAQYLSRUSA-N 0 3 484.604 3.325 50 0 JGAAHN Cc1ccccc1[C@]1(CC(=O)N2CCCC[C@H]2c2cccnc2)CC(=O)N(CCN(C)C)C1=O ZINC000011785611 555818054 /nfs/dbraw/zinc/81/80/54/555818054.db2.gz RDOLUMUIZIGRNX-HOFKKMOUSA-N 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Cc1ccccc1[C@]1(CC(=O)N(C)Cc2nc3cc(C)c(C)cc3[nH]2)CC(=O)N(CCN(C)C)C1=O ZINC000011911964 555860306 /nfs/dbraw/zinc/86/03/06/555860306.db2.gz LBJLRSWSCOYOHB-NDEPHWFRSA-N 0 3 489.620 3.095 50 0 JGAAHN Cc1ccc(F)c(CN[C@H]2CCc3c(sc4ncn(Cc5cnn(C)c5)c(=O)c34)C2)c1F ZINC000015067205 555867491 /nfs/dbraw/zinc/86/74/91/555867491.db2.gz VGMOMKWGIBWQHW-HNNXBMFYSA-N 0 3 455.534 3.474 50 0 JGAAHN Cc1cc(C)cc(C(=O)N2CCC([C@@]3(Cc4cccc(F)c4)NC(=O)N(CCN(C)C)C3=O)CC2)c1 ZINC000012041096 555893808 /nfs/dbraw/zinc/89/38/08/555893808.db2.gz FEDBUOMGTGWKAX-MUUNZHRXSA-N 0 3 494.611 3.390 50 0 JGAAHN O=S(=O)(c1ccc(CNCc2ccc(OCc3cn4ccccc4n3)cc2)cc1)N1CCOCC1 ZINC000015578224 555916360 /nfs/dbraw/zinc/91/63/60/555916360.db2.gz KMNPCUUGHPZUDC-UHFFFAOYSA-N 0 3 492.601 3.224 50 0 JGAAHN CCOc1cc(CN[C@@H](C)[C@H](O)c2ccc(O)cc2)cc(Br)c1OCC(=O)N(C)C ZINC000022357835 555925221 /nfs/dbraw/zinc/92/52/21/555925221.db2.gz XLEWGYXRWTZRHZ-QKKBWIMNSA-N 0 3 481.387 3.232 50 0 JGAAHN CCOc1cc(CN[C@H](C)[C@@H](O)c2ccc(O)cc2)cc(Br)c1OCC(=O)N(C)C ZINC000022357833 555925248 /nfs/dbraw/zinc/92/52/48/555925248.db2.gz XLEWGYXRWTZRHZ-SPLOXXLWSA-N 0 3 481.387 3.232 50 0 JGAAHN Cc1ccc(C(=O)NCCc2nnc3n2CCN(C[C@@H](C)Cc2ccc4c(c2)OCO4)CC3)cc1 ZINC000012155995 555928392 /nfs/dbraw/zinc/92/83/92/555928392.db2.gz CRYNBYLACAGICM-FQEVSTJZSA-N 0 3 475.593 3.025 50 0 JGAAHN CCOc1cc(CN2CCC([C@]3(Cc4cccc(OC)c4)NC(=O)N(C)C3=O)CC2)ccc1O ZINC000012184461 555936395 /nfs/dbraw/zinc/93/63/95/555936395.db2.gz WLNNFGSUOXSSDB-SANMLTNESA-N 0 3 467.566 3.175 50 0 JGAAHN CN1CCN(CCCN2C(=O)c3cc4occc4n3C[C@@]2(C)C(=O)NC2CCCCCCC2)CC1 ZINC000022936383 555989060 /nfs/dbraw/zinc/98/90/60/555989060.db2.gz CGRLWRWCAGNKHL-MHZLTWQESA-N 0 3 483.657 3.315 50 0 JGAAHN CC[NH+]1CCN(Cc2ccc([N-]S(=O)(=O)c3ccc4c(c3)NC(=O)[C@H](C)CS4)cc2)CC1 ZINC000022937275 555990178 /nfs/dbraw/zinc/99/01/78/555990178.db2.gz BGYNKDNSWZCWGM-QGZVFWFLSA-N 0 3 474.652 3.305 50 0 JGAAHN CN1CCN(CCNC(=O)C2CCN(Cc3cc4ccccc4n3Cc3ccc(F)cc3)CC2)CC1 ZINC000022938615 555992303 /nfs/dbraw/zinc/99/23/03/555992303.db2.gz MTEOIWORTLMWNP-UHFFFAOYSA-N 0 3 491.655 3.404 50 0 JGAAHN CCn1ccc2cc(S(=O)(=O)N3CCC(C(=O)NCCN(C)Cc4ccccc4)CC3)ccc21 ZINC000015784289 556003215 /nfs/dbraw/zinc/00/32/15/556003215.db2.gz NVFOVFYFQPJFBV-UHFFFAOYSA-N 0 3 482.650 3.310 50 0 JGAAHN Cn1ccc2cc(S(=O)(=O)N3CCC[C@@H](C(=O)NC4CCN(Cc5ccccc5)CC4)C3)ccc21 ZINC000015784427 556003446 /nfs/dbraw/zinc/00/34/46/556003446.db2.gz LPLIODYBXUBHBF-HSZRJFAPSA-N 0 3 494.661 3.360 50 0 JGAAHN O=C(CC[NH+]1CCC(C(=O)Nc2ccccc2[O-])CC1)Nc1ccc(N2CCCC2=O)cc1 ZINC000012569640 556072896 /nfs/dbraw/zinc/07/28/96/556072896.db2.gz NBKUCKXXSVPFAH-UHFFFAOYSA-N 0 3 450.539 3.198 50 0 JGAAHN COC(=O)c1ccc(CN2CCC[C@H](CCC(=O)N3CCN(c4ccccn4)CC3)C2)cc1 ZINC000012584890 556082294 /nfs/dbraw/zinc/08/22/94/556082294.db2.gz HYILJRRKZYGXLP-OAQYLSRUSA-N 0 3 450.583 3.209 50 0 JGAAHN C[C@@H]1CN(S(=O)(=O)c2cccc(C(=O)NC[C@@H](c3ccccc3)N3CCCC3)c2)C[C@H](C)O1 ZINC000023738720 556086726 /nfs/dbraw/zinc/08/67/26/556086726.db2.gz IDJPSPWAJSOEOE-ROKPMTFOSA-N 0 3 471.623 3.051 50 0 JGAAHN O=C(CCn1[nH]c(=O)c2ccccc2c1=O)Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1 ZINC000023908775 556100466 /nfs/dbraw/zinc/10/04/66/556100466.db2.gz DXSJRUSDWRJMJO-UHFFFAOYSA-N 0 3 483.572 3.453 50 0 JGAAHN CC1CCN([C@H](CNC(=O)[C@H]2CC(=O)N(c3ccc4c(c3)OCO4)C2)c2cccs2)CC1 ZINC000024550535 556135890 /nfs/dbraw/zinc/13/58/90/556135890.db2.gz SHJOQTFRHIFNCG-PKOBYXMFSA-N 0 3 455.580 3.419 50 0 JGAAHN COc1ccc([C@@H](CNC(=O)c2cccc(S(=O)(=O)N3CCc4ccccc4C3)c2)N(C)C)cc1 ZINC000012982070 556175403 /nfs/dbraw/zinc/17/54/03/556175403.db2.gz OFMQQHUWXFNGGB-AREMUKBSSA-N 0 3 493.629 3.475 50 0 JGAAHN COc1ccc([C@H](CNC(=O)c2cccc(S(=O)(=O)NCc3ccccc3)c2)N(C)C)cc1 ZINC000013013911 556204955 /nfs/dbraw/zinc/20/49/55/556204955.db2.gz UAXKMODAJBJIKR-DEOSSOPVSA-N 0 3 467.591 3.206 50 0 JGAAHN CCc1ccc([C@@H](CNC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)N(C)C)cc1 ZINC000013021714 556211876 /nfs/dbraw/zinc/21/18/76/556211876.db2.gz OEELNYODOROJIL-NZQKXSOJSA-N 0 3 461.603 3.208 50 0 JGAAHN CCN(CC)CCOC(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N(Cc3ccc(C)cc3)C2)cc1 ZINC000013038517 556236787 /nfs/dbraw/zinc/23/67/87/556236787.db2.gz OHCMIKXTLAOFSA-JOCHJYFZSA-N 0 3 451.567 3.481 50 0 JGAAHN CCCCN(C(=O)CN[C@H](C)c1ccc2ccccc2c1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000013039718 556241079 /nfs/dbraw/zinc/24/10/79/556241079.db2.gz PHIAFYGJNWSGDX-GOSISDBHSA-N 0 3 465.598 3.412 50 0 JGAAHN CCOC(=O)c1cnn(-c2ccc(C(=O)NC3CCN(C4CC4)CC3)cc2)c1C(F)(F)F ZINC000030688101 556370248 /nfs/dbraw/zinc/37/02/48/556370248.db2.gz WOQRCBAARJYXIU-UHFFFAOYSA-N 0 3 450.461 3.424 50 0 JGAAHN C[NH+](C)CCCN1CCN([C@@H](C(=O)[O-])c2c[nH]c3ccc(OCc4ccccc4)cc32)CC1 ZINC000032106301 556417808 /nfs/dbraw/zinc/41/78/08/556417808.db2.gz BDYRAPUHJKVGRK-RUZDIDTESA-N 0 3 450.583 3.442 50 0 JGAAHN 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/nfs/dbraw/zinc/63/74/33/569637433.db2.gz ZXLKDSLNKQYNDW-CTNGQTDRSA-N 0 3 457.578 3.396 50 0 JGAAHN CC(C)COC[C@@H](O)CN1CCCN(c2ccc(NC(=O)COc3ccc(Cl)cc3)cn2)CC1 ZINC000034682237 569643694 /nfs/dbraw/zinc/64/36/94/569643694.db2.gz ONBGTZOOOPMUFW-QFIPXVFZSA-N 0 3 491.032 3.298 50 0 JGAAHN CN(CCNC(=O)CC1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1)Cc1ccccc1 ZINC000065062035 569655609 /nfs/dbraw/zinc/65/56/09/569655609.db2.gz NWPUSQOLVHZKEW-UHFFFAOYSA-N 0 3 470.060 3.441 50 0 JGAAHN CC(C)(C)c1ccc(S(=O)(=O)N2CCC3(CC2)NCCN=C3NCc2ccccc2F)cc1 ZINC000065074726 569657283 /nfs/dbraw/zinc/65/72/83/569657283.db2.gz NNXQWEQLAUHTEJ-UHFFFAOYSA-N 0 3 472.630 3.438 50 0 biogenic JGAAHN O=C(NCCN1CCCC1)c1nnc(N2CCN(c3ccccc3Cl)CC2)c2ccccc21 ZINC000034838321 569666651 /nfs/dbraw/zinc/66/66/51/569666651.db2.gz LZGHVSFCJHLXSR-UHFFFAOYSA-N 0 3 465.001 3.435 50 0 JGAAHN CCN(CCNC(=O)[C@H]1CCCN(c2cnn(Cc3ccccc3)c(=O)c2)C1)Cc1ccccc1 ZINC000065314172 569672297 /nfs/dbraw/zinc/67/22/97/569672297.db2.gz ZSGUSFJBBZZGOX-VWLOTQADSA-N 0 3 473.621 3.146 50 0 JGAAHN COc1ccc(S(=O)(=O)c2cnc(N3CCC(N4CCCCC4)CC3)nc2N)cc1Cl ZINC000067336061 569687522 /nfs/dbraw/zinc/68/75/22/569687522.db2.gz CVUKTVDXRFPPGN-UHFFFAOYSA-N 0 3 466.007 3.008 50 0 JGAAHN COc1cc(NC(=O)N2CCC(CC(=O)NCCN3CCCC[C@H]3C)CC2)cc(OC)c1OC ZINC000035399183 569689637 /nfs/dbraw/zinc/68/96/37/569689637.db2.gz YFFRCQUTABMCEH-GOSISDBHSA-N 0 3 476.618 3.337 50 0 JGAAHN CCOC(=O)c1c(C)[nH]c(C(=O)N2CCC[C@@H](C(=O)NC3CCN(Cc4ccccc4)CC3)C2)c1C ZINC000035422140 569692486 /nfs/dbraw/zinc/69/24/86/569692486.db2.gz JXUZMWBAPMUGKJ-JOCHJYFZSA-N 0 3 494.636 3.441 50 0 JGAAHN CCOC(=O)c1c(C)[nH]c(C(=O)N2CCC[C@H](C(=O)NC3CCN(Cc4ccccc4)CC3)C2)c1C ZINC000035422139 569692568 /nfs/dbraw/zinc/69/25/68/569692568.db2.gz JXUZMWBAPMUGKJ-QFIPXVFZSA-N 0 3 494.636 3.441 50 0 JGAAHN CC(=O)NC1(c2noc(CCC(=O)NC3CCN(Cc4ccccc4)CC3)n2)CCCCCC1 ZINC000071823357 569698787 /nfs/dbraw/zinc/69/87/87/569698787.db2.gz OFTPQJDLQHLJOT-UHFFFAOYSA-N 0 3 467.614 3.469 50 0 JGAAHN CCN1CCN(CCCNC(=O)CC2CCN(C(=O)Nc3cccc(Cl)c3)CC2)CC1 ZINC000035528876 569699952 /nfs/dbraw/zinc/69/99/52/569699952.db2.gz OHDCNJNTWJYCDD-UHFFFAOYSA-N 0 3 450.027 3.118 50 0 JGAAHN CN1CCN(CCNC(=O)C2CCN(Cc3cc4ccccc4n3Cc3ccccc3)CC2)CC1 ZINC000035561567 569704527 /nfs/dbraw/zinc/70/45/27/569704527.db2.gz WLDSTDCQXMBHDQ-UHFFFAOYSA-N 0 3 473.665 3.265 50 0 JGAAHN CC1CCN(c2ccc(CNC(=O)NCCCN3CCN(Cc4ccccc4)CC3)cn2)CC1 ZINC000084699992 569709569 /nfs/dbraw/zinc/70/95/69/569709569.db2.gz MZFPNINYGDVORX-UHFFFAOYSA-N 0 3 464.658 3.325 50 0 JGAAHN CCc1nc(C)nc(N2CCN(C[C@H](O)CN3CCCCC3)CC2)c1Cc1ccc(C)cc1 ZINC000036340665 569763957 /nfs/dbraw/zinc/76/39/57/569763957.db2.gz MJEBIFPFHOBEIZ-XMMPIXPASA-N 0 3 451.659 3.215 50 0 JGAAHN COc1ccc(N2C(=O)C3=C(C(O)n4nnc5ccccc54)N4c5ccccc5C=C[C@H]4C3C2=O)cc1 ZINC000100889038 569774429 /nfs/dbraw/zinc/77/44/29/569774429.db2.gz UDPHJNHLIVIVLF-OJJQZRKESA-N 0 3 491.507 3.170 50 0 JGAAHN Cc1ccc(OCC(=O)c2ccc3c(c2)N(CCCC(=O)NCCN(C)C)C(=O)CO3)c(Cl)c1 ZINC000037512136 569792098 /nfs/dbraw/zinc/79/20/98/569792098.db2.gz NNPNWHWTNDHTDY-UHFFFAOYSA-N 0 3 487.984 3.094 50 0 JGAAHN Cc1ccc(C)c(OCC(=O)c2ccc3c(c2)N(CC(=O)NCCN2CCCCC2)C(=O)CO3)c1C ZINC000037512563 569792287 /nfs/dbraw/zinc/79/22/87/569792287.db2.gz QPGZPYLKOCNBKG-UHFFFAOYSA-N 0 3 493.604 3.201 50 0 JGAAHN O=c1occ(C[NH+]2CCCCCC2)c([O-])c1CN1CCN(CCOc2ccc(F)cc2)CC1 ZINC000101373985 569795039 /nfs/dbraw/zinc/79/50/39/569795039.db2.gz PTOYMOSDUMUEFK-UHFFFAOYSA-N 0 3 459.562 3.057 50 0 JGAAHN COC(=O)C1=C(C)N=C2SC=C(CC(=O)NCCN3CCCC3)N2[C@@H]1c1cccc(F)c1 ZINC000102746789 569820121 /nfs/dbraw/zinc/82/01/21/569820121.db2.gz NLFUWKYNWOUXKR-OAQYLSRUSA-N 0 3 458.559 3.176 50 0 JGAAHN COC(=O)C1=C(C)N=C2SC=C(CC(=O)NCCN3CCCCC3)N2[C@H]1c1ccccc1 ZINC000102746844 569820182 /nfs/dbraw/zinc/82/01/82/569820182.db2.gz RUECSWXKDUBZLE-QFIPXVFZSA-N 0 3 454.596 3.427 50 0 JGAAHN CSc1ccccc1CN1CCC(CNC(=O)C(=O)Nc2cc3c4c(c2)CCC(=O)N4CC3)CC1 ZINC000049523486 569848282 /nfs/dbraw/zinc/84/82/82/569848282.db2.gz YIEOCBRPLOAKKB-UHFFFAOYSA-N 0 3 492.645 3.211 50 0 JGAAHN CC(C)CCn1c(=O)[nH]c(=O)c2c1NC(=O)CC2C(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000049551605 569848586 /nfs/dbraw/zinc/84/85/86/569848586.db2.gz PPWVLPXOBNNLSR-ZDUSSCGKSA-N 0 3 454.405 3.195 50 0 JGAAHN CCN(C(=O)CN1C(=O)N[C@]2(CCc3ccccc32)C1=O)[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000106132156 569853810 /nfs/dbraw/zinc/85/38/10/569853810.db2.gz FNAKJDLXBACTLA-ZHCYEPILSA-N 0 3 460.578 3.064 50 0 JGAAHN CN(C(=O)[C@H]1CC(=O)N(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1)[C@H]1CCN(C)C1 ZINC000169679914 569870032 /nfs/dbraw/zinc/87/00/32/569870032.db2.gz QZYLIHNTZYPEFM-BBRMVZONSA-N 0 3 451.411 3.235 50 0 JGAAHN CN(C)CCNC(=O)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CCN(Cc3ccc(F)cc3)C[C@@H]12 ZINC000169681919 569871000 /nfs/dbraw/zinc/87/10/00/569871000.db2.gz BZMVDQLVXDFWIR-GGAORHGYSA-N 0 3 478.534 3.385 50 0 JGAAHN COCCN1CC[C@@H](CN(C)C(=O)CN2Cc3ccccc3O[C@@H](c3ccccc3F)C2)C1 ZINC000215828120 569877767 /nfs/dbraw/zinc/87/77/67/569877767.db2.gz JFLWNGWXNCZFGP-NBGIEHNGSA-N 0 3 455.574 3.188 50 0 JGAAHN COc1ccc2c(c1)N1CCN(c3ccc(F)cc3)C[C@H]1[C@H](C(=O)NCCN1CCCCC1)C2 ZINC000230137917 570045591 /nfs/dbraw/zinc/04/55/91/570045591.db2.gz MCHQBCMUEZVFEE-RSXGOPAZSA-N 0 3 466.601 3.304 50 0 JGAAHN COc1ccc([C@@H]2C[C@@H](C(F)(F)F)n3nc(C(=O)N4CCN5CCC[C@H]5C4)cc3N2)cc1OC ZINC000239433394 570052251 /nfs/dbraw/zinc/05/22/51/570052251.db2.gz XPRVNINOZFUJAL-FTRWYGJKSA-N 0 3 479.503 3.481 50 0 JGAAHN CCN1CCC[C@@H]1CNC(=O)[C@@H]1c2cc(OC)c(OC)cc2C(=O)N(C)[C@H]1c1ccc(OC)cc1 ZINC000245235800 570056935 /nfs/dbraw/zinc/05/69/35/570056935.db2.gz NVDKVECWDHCJKK-XYHYBEPMSA-N 0 3 481.593 3.223 50 0 JGAAHN Nc1nonc1C(=O)NCCNCc1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12 ZINC000247694813 570068798 /nfs/dbraw/zinc/06/87/98/570068798.db2.gz ZBFYQDCJFPYERW-UHFFFAOYSA-N 0 3 459.337 3.481 50 0 JGAAHN Cc1ccc(N2C(=O)C3=C(C(O)n4nnc5ccccc54)N4c5ccccc5C=C[C@H]4C3C2=O)cc1 ZINC000248122664 570074593 /nfs/dbraw/zinc/07/45/93/570074593.db2.gz SMELYNXPSTVKQP-QORCZRPOSA-N 0 3 475.508 3.470 50 0 JGAAHN COc1ccc(Cn2c(CN3CCC[C@H](C(=O)N4CCN[C@H](C)C4)C3)nc3ccccc32)cc1 ZINC000253603603 570104408 /nfs/dbraw/zinc/10/44/08/570104408.db2.gz LPAQKOAXBUOSOC-IRLDBZIGSA-N 0 3 461.610 3.126 50 0 JGAAHN Cc1ccccc1Cn1nc(CNCCc2ccc(S(N)(=O)=O)cc2)c(-c2ccccc2)n1 ZINC000261491983 570169972 /nfs/dbraw/zinc/16/99/72/570169972.db2.gz OCIDBAJYFUBHHG-UHFFFAOYSA-N 0 3 461.591 3.282 50 0 JGAAHN COc1ccc(OC)c2nc(N3CCOCC3)c(CNC[C@H]3COc4ccccc4O3)cc12 ZINC000299800992 570177481 /nfs/dbraw/zinc/17/74/81/570177481.db2.gz WUJLVAQDWMFUAX-SFHVURJKSA-N 0 3 451.523 3.018 50 0 JGAAHN O=C(CSC1=Nc2ccccc2C2=NC(CC(=O)NCc3ccco3)C(=O)N21)NC1CCCCC1 ZINC000002967844 194185417 /nfs/dbraw/zinc/18/54/17/194185417.db2.gz TZFGLDQOTSKHLO-HXUWFJFHSA-N 0 3 493.589 3.127 50 0 JGAAHN CCCCNC(=O)CC1N=C2c3ccccc3N=C(SCC(=O)Nc3ccccc3OC)N2C1=O ZINC000002968049 194185840 /nfs/dbraw/zinc/18/58/40/194185840.db2.gz UXSFVEBIEIHADA-LJQANCHMSA-N 0 3 493.589 3.332 50 0 JGAAHN COc1ccc(-c2cc(C(F)(F)F)n3ncc(C(=O)N4CCN5CCC[C@H]5C4)c3n2)cc1OC ZINC000004162535 194381586 /nfs/dbraw/zinc/38/15/86/194381586.db2.gz SBZUBUKXRIKRTG-HNNXBMFYSA-N 0 3 475.471 3.353 50 0 JGAAHN C[C@H](N[C@@H](C)c1ccc(-n2ccnc2)cc1)C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000012627430 195059789 /nfs/dbraw/zinc/05/97/89/195059789.db2.gz KNQMSNWQSVJONT-OALUTQOASA-N 0 3 467.595 3.335 50 0 JGAAHN COc1ccc(-n2c3ccccc3nc(CCC(=O)N3CCN(c4ccncc4)CC3)c2=O)cc1 ZINC000012762775 195111870 /nfs/dbraw/zinc/11/18/70/195111870.db2.gz FDVXBONESMAHSZ-UHFFFAOYSA-N 0 3 469.545 3.071 50 0 JGAAHN COc1cc(C(=O)N[C@H](C)C(=O)NC[C@@H](c2cccs2)N2CCC(C)CC2)cc(OC)c1OC ZINC000012770682 195117166 /nfs/dbraw/zinc/11/71/66/195117166.db2.gz OERMZKBMWFLKHH-MJGOQNOKSA-N 0 3 489.638 3.482 50 0 JGAAHN CC(C)C[C@H](N)C(=O)N1CCC(C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](C)c2ccccc2)CC1 ZINC000012870782 195163337 /nfs/dbraw/zinc/16/33/37/195163337.db2.gz PLUMJRUUQXWUKH-MZBJOSPHSA-N 0 3 492.664 3.203 50 0 biogenic JGAAHN O=C(CN1C(=O)/C(=C\c2cccc(Br)c2)Oc2ccccc21)NCCN1CCCC1 ZINC000020726134 195207473 /nfs/dbraw/zinc/20/74/73/195207473.db2.gz QZJNXYWSNSENNF-RCCKNPSSSA-N 0 3 470.367 3.428 50 0 JGAAHN COc1ccc([C@H]2c3c4ccccc4n(C)c3C(=O)N2CC(=O)NCCN2CCCCC2)cc1 ZINC000020939103 195254587 /nfs/dbraw/zinc/25/45/87/195254587.db2.gz SHQWSZRSOJCGCR-VWLOTQADSA-N 0 3 460.578 3.334 50 0 JGAAHN CCN1CCN(Cc2ccc(NC(=O)c3cn4c5c(ccc(Cl)c5c3=O)OCC4)cc2)CC1 ZINC000020927030 195249303 /nfs/dbraw/zinc/24/93/03/195249303.db2.gz NNVFRIOIXZSIDY-UHFFFAOYSA-N 0 3 466.969 3.437 50 0 JGAAHN Cc1cc(C)n(Cc2c(C)onc2C(=O)NCCCN2CCN(c3cccc(C)c3)[C@@H](C)C2)n1 ZINC000020994052 195263156 /nfs/dbraw/zinc/26/31/56/195263156.db2.gz ISXSPRDXFKNFEZ-NRFANRHFSA-N 0 3 464.614 3.484 50 0 JGAAHN CCCc1cc(=O)n2nc(N3CCC(C(=O)NC4CCN(Cc5ccccc5)CC4)CC3)sc2n1 ZINC000021165944 195288838 /nfs/dbraw/zinc/28/88/38/195288838.db2.gz MOICBCYPURGONK-UHFFFAOYSA-N 0 3 494.665 3.101 50 0 JGAAHN CCCN1CCN(CCCNC(=O)COc2ccccc2-c2nnc(-c3ccccc3)o2)CC1 ZINC000021915669 195332058 /nfs/dbraw/zinc/33/20/58/195332058.db2.gz OXILWPMIIOTDQB-UHFFFAOYSA-N 0 3 463.582 3.316 50 0 JGAAHN CC1(C)NC(=O)N(CCCC(=O)Nc2ccc(N3CCN(Cc4ccccc4)CC3)cc2)C1=O ZINC000058169946 195370707 /nfs/dbraw/zinc/37/07/07/195370707.db2.gz RIXINACGJBPQOC-UHFFFAOYSA-N 0 3 463.582 3.058 50 0 JGAAHN CC(C)[C@@H](NC(=O)c1ccccc1Cl)C(=O)N1CCC(CN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000058312874 195376947 /nfs/dbraw/zinc/37/69/47/195376947.db2.gz BDSGMXLTBQKKPZ-KGVIQGDOSA-N 0 3 450.023 3.442 50 0 JGAAHN CC(C)Cc1ccc(S(=O)(=O)[N-]c2ccc(N3CC[NH2+]CC3)c(C(=O)NC(C)C)c2)cc1 ZINC000033121162 519443842 /nfs/dbraw/zinc/44/38/42/519443842.db2.gz NORPOQPEIBTDTC-UHFFFAOYSA-N 0 3 458.628 3.234 50 0 JGAAHN CC(C)CC[C@@]1(C2CCN(C(=O)Cc3c(F)cc(F)cc3F)CC2)NC(=O)N(CCN(C)C)C1=O ZINC000014986614 519687751 /nfs/dbraw/zinc/68/77/51/519687751.db2.gz LGUAFXHDPIIERZ-VWLOTQADSA-N 0 3 496.574 3.173 50 0 JGAAHN CCCNC(=O)c1cc([N-]S(=O)(=O)c2ccc(C(C)(C)C)cc2)ccc1N1CC[NH2+]CC1 ZINC000033121241 519897510 /nfs/dbraw/zinc/89/75/10/519897510.db2.gz QCFPXELRCQNDPR-UHFFFAOYSA-N 0 3 458.628 3.334 50 0 JGAAHN CCCCN(CC)C(=O)c1cc([N-]S(=O)(=O)c2ccccc2C)ccc1N1CC[NH2+]CC1 ZINC000033121196 520469952 /nfs/dbraw/zinc/46/99/52/520469952.db2.gz NNCKHCFQZUCHRM-UHFFFAOYSA-N 0 3 458.628 3.468 50 0 JGAAHN CCOC(=O)C1=C(CNCC23CC4CC(CC(C4)C2)C3)NC(=O)N[C@H]1c1ccc2c(c1)OCO2 ZINC000012412580 520517699 /nfs/dbraw/zinc/51/76/99/520517699.db2.gz PZUQNBSYESHTBK-UFLMRAFUSA-N 0 3 467.566 3.392 50 0 JGAAHN CCOC(=O)N1CCN(C(=O)[C@@H]2CC23CCN(Cc2ccc(Oc4ncccn4)cc2)CC3)CC1 ZINC000014983543 520947364 /nfs/dbraw/zinc/94/73/64/520947364.db2.gz HRYKNAITQSYGKP-QFIPXVFZSA-N 0 3 479.581 3.172 50 0 JGAAHN CCC[C@@]1(C2CCN(C(=O)c3cccc(N(C)C)c3)CC2)NC(=O)N(CC[C@H]2CCCN2C)C1=O ZINC000014879940 520955313 /nfs/dbraw/zinc/95/53/13/520955313.db2.gz VZBVQJXQHNSQQQ-AMGIVPHBSA-N 0 3 483.657 3.180 50 0 JGAAHN CCOc1ccc(CN(Cc2nc(C(=O)NCCN(C)C)co2)Cc2ccc3c(c2)OCO3)cc1 ZINC000036061523 520966632 /nfs/dbraw/zinc/96/66/32/520966632.db2.gz HMEFCLQRFYZKLP-UHFFFAOYSA-N 0 3 480.565 3.296 50 0 JGAAHN CCOc1ccc(S(=O)(=O)[N-]c2ccc(N3CC[NH2+]CC3)c(C(=O)N3CCCCCC3)c2)cc1 ZINC000033121219 521210834 /nfs/dbraw/zinc/21/08/34/521210834.db2.gz FJNQPMGZIZZBDG-UHFFFAOYSA-N 0 3 486.638 3.312 50 0 JGAAHN CCC[C@]1(C2CCN(C(=O)Cc3cccs3)CC2)NC(=O)N(CC[C@H]2CCCN2C)C1=O ZINC000014980558 521313718 /nfs/dbraw/zinc/31/37/18/521313718.db2.gz HUMREEASPZCSKQ-NTKDMRAZSA-N 0 3 460.644 3.104 50 0 JGAAHN CCN1CCN(CCc2nc3cc(NC(=O)COc4ccc(Cl)cc4)ccc3n2C)CC1 ZINC000020519465 521683822 /nfs/dbraw/zinc/68/38/22/521683822.db2.gz VLIVBTWWAPCEDQ-UHFFFAOYSA-N 0 3 455.990 3.424 50 0 JGAAHN CCN1CCN(c2cc(C(C)(C)C)nc(SCc3ccc(C(=O)NCCN(C)C)cc3)n2)CC1 ZINC000036065094 521696856 /nfs/dbraw/zinc/69/68/56/521696856.db2.gz CZBSBRRTSTYLBL-UHFFFAOYSA-N 0 3 484.714 3.500 50 0 JGAAHN CCN1CCN(c2ccc(NC(=O)Cc3c(C)nc4nc(SC)nn4c3C)c(C)c2)CC1 ZINC000022699434 521698204 /nfs/dbraw/zinc/69/82/04/521698204.db2.gz PUNHYFVKLFBKNM-UHFFFAOYSA-N 0 3 453.616 3.095 50 0 JGAAHN COC(=O)c1c(OCCN2CCCCC2)cc(=O)n2c1CCN(Cc1nc3ccccc3s1)CC2 ZINC000012203082 521776776 /nfs/dbraw/zinc/77/67/76/521776776.db2.gz UUIXKEZUPUPMMZ-UHFFFAOYSA-N 0 3 496.633 3.168 50 0 JGAAHN CN(C)CCNC(=O)c1cccc(NC(=O)c2nnc(COc3ccc(Cl)cc3)s2)c1 ZINC000033027088 521786186 /nfs/dbraw/zinc/78/61/86/521786186.db2.gz CVCNTCVWEPEWFH-UHFFFAOYSA-N 0 3 459.959 3.314 50 0 JGAAHN COCC(=O)Nc1cc2nc(C3CCC3)n(C)c2c(C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)c1 ZINC000012219044 522782745 /nfs/dbraw/zinc/78/27/45/522782745.db2.gz ZNIIKVKSPBIMNR-HXUWFJFHSA-N 0 3 475.593 3.430 50 0 JGAAHN COc1cc2nc(NCCCN3CCN(C)CC3)n3nc(-c4ccccc4)nc3c2cc1OC ZINC000020377196 523068347 /nfs/dbraw/zinc/06/83/47/523068347.db2.gz YWIIUUPOHMNMPC-UHFFFAOYSA-N 0 3 461.570 3.011 50 0 JGAAHN COCCCN(Cc1c(-c2ccccc2)noc1N1CCOCC1)C[C@H](O)COCc1ccco1 ZINC000036150956 523264710 /nfs/dbraw/zinc/26/47/10/523264710.db2.gz GXJRGASKBRKYSX-QFIPXVFZSA-N 0 3 485.581 3.187 50 0 JGAAHN COCCCN1C(=O)N(Cc2ccc(OC)cc2)C(=O)C12CCN(Cc1cccc(C)n1)CC2 ZINC000014749377 523288543 /nfs/dbraw/zinc/28/85/43/523288543.db2.gz ZDQAYTFNMKJPFQ-UHFFFAOYSA-N 0 3 466.582 3.234 50 0 JGAAHN COCCCN1C(=O)N(Cc2ccccc2)C(=O)C12CCN(Cc1cc3c(c(OC)c1)OCO3)CC2 ZINC000014755035 523289953 /nfs/dbraw/zinc/28/99/53/523289953.db2.gz RPXPEJLBSUTXBA-UHFFFAOYSA-N 0 3 495.576 3.259 50 0 JGAAHN CCn1nc(C(=O)N2CCCN(C)CC2)c2c1CC[C@@H](N1CCC(Cc3ccccc3)CC1)C2 ZINC000014733045 523609944 /nfs/dbraw/zinc/60/99/44/523609944.db2.gz IXKGJDPMFAGMTO-XMMPIXPASA-N 0 3 463.670 3.493 50 0 JGAAHN CN1CCCCC[C@H]1C(=O)N1CCC2(C[C@@H]2C(=O)N2CCN(C/C=C/c3ccccc3)CC2)CC1 ZINC000014880270 523791590 /nfs/dbraw/zinc/79/15/90/523791590.db2.gz JPVMETMUNBNBFZ-JOQLBRTESA-N 0 3 478.681 3.347 50 0 JGAAHN COCCN1C(=O)N(CCc2ccccc2)C(=O)C12CCN(Cc1cccn1-c1ccccn1)CC2 ZINC000014750523 523800928 /nfs/dbraw/zinc/80/09/28/523800928.db2.gz LRTRJFPBMALYKX-UHFFFAOYSA-N 0 3 487.604 3.360 50 0 JGAAHN COCCN1C(=O)N(CCc2ccc(OC)cc2)C2(CCN(Cc3ccccc3)CC2)C1=O ZINC000014745294 523801373 /nfs/dbraw/zinc/80/13/73/523801373.db2.gz GIWXMQHQLPVAKH-UHFFFAOYSA-N 0 3 451.567 3.183 50 0 JGAAHN COCCN1C(=O)N(CCCc2cccnc2)C(=O)C12CCN(Cc1sccc1C)CC2 ZINC000014733567 523801950 /nfs/dbraw/zinc/80/19/50/523801950.db2.gz TZPJVDBTPCRUMQ-UHFFFAOYSA-N 0 3 456.612 3.330 50 0 JGAAHN CC[C@H](C)NC(=O)c1cc([N-]S(=O)(=O)c2ccc3c(c2)CCCC3)ccc1N1CC[NH2+]CC1 ZINC000033121113 523996509 /nfs/dbraw/zinc/99/65/09/523996509.db2.gz QCQVPWINLNKGLJ-SFHVURJKSA-N 0 3 470.639 3.304 50 0 JGAAHN C[C@@H](C(=O)NCCN1CCCCC1)C1CCN(S(=O)(=O)c2ccc(Br)s2)CC1 ZINC000035459877 524185938 /nfs/dbraw/zinc/18/59/38/524185938.db2.gz JGWNHHZCQYLKQK-OAHLLOKOSA-N 0 3 492.505 3.150 50 0 JGAAHN C[C@@H](C(=O)NCCN1CCCCC1)N1C(=O)COc2ccc(C(=O)COc3cccc(Cl)c3)cc21 ZINC000037511434 524186954 /nfs/dbraw/zinc/18/69/54/524186954.db2.gz ZZGIPBUNTFXADR-SFHVURJKSA-N 0 3 499.995 3.318 50 0 JGAAHN COc1ccc(OC)c(-c2ccnc(-n3ncc(C(=O)N4CC[C@H](N(C)C)C4)c3C3CC3)n2)c1 ZINC000014951720 524793973 /nfs/dbraw/zinc/79/39/73/524793973.db2.gz VHJMDXRAJZUKRW-KRWDZBQOSA-N 0 3 462.554 3.000 50 0 JGAAHN Cc1ccc(S(=O)(=O)[N-]c2ccc(N3CC[NH2+]CC3)c(C(=O)NCC(C)C)c2)cc1Cl ZINC000033121319 525610177 /nfs/dbraw/zinc/61/01/77/525610177.db2.gz MCQJBYYJOACYOE-UHFFFAOYSA-N 0 3 465.019 3.245 50 0 JGAAHN Cc1c2c(nn1-c1ccccc1)c(C)nn([C@H](C)C(=O)NCCCN1CCc3ccccc3C1)c2=O ZINC000064971285 525938593 /nfs/dbraw/zinc/93/85/93/525938593.db2.gz YJOCJDBRUQRTDJ-OAQYLSRUSA-N 0 3 484.604 3.325 50 0 JGAAHN C[C@H](CC(=O)NC1CCN(Cc2ccccc2)CC1)CC1=NS(=O)(=O)c2ccccc2N1 ZINC000033272083 526235691 /nfs/dbraw/zinc/23/56/91/526235691.db2.gz WRFRFJGLQUWQSG-SFHVURJKSA-N 0 3 454.596 3.396 50 0 JGAAHN O=C(CC[C@H]1CCCN(Cc2ccc3c(c2)OCCO3)C1)N1CCN(c2ccccn2)CC1 ZINC000012479423 526570292 /nfs/dbraw/zinc/57/02/92/526570292.db2.gz VYOIACJFGAHDKW-OAQYLSRUSA-N 0 3 450.583 3.194 50 0 JGAAHN O=C(NC1CCN(Cc2ccccc2)CC1)c1ccc(-c2cc(N3CCOCC3)ncn2)cc1 ZINC000064989437 527530860 /nfs/dbraw/zinc/53/08/60/527530860.db2.gz CABIUVIWJVQOAS-UHFFFAOYSA-N 0 3 457.578 3.375 50 0 JGAAHN Cn1nc(C(=O)NCc2ccncc2)c2c1CC[C@H](NCc1cccc(OC(F)(F)F)c1)C2 ZINC000014742547 527546342 /nfs/dbraw/zinc/54/63/42/527546342.db2.gz UFLLUUDOCURBPT-KRWDZBQOSA-N 0 3 459.472 3.291 50 0 JGAAHN COc1ccc2[nH]c3c(c2c1)CCN1C(=O)CN(C2CCN(Cc4ccccc4)CC2)C(=O)[C@]31C ZINC000008917760 554813310 /nfs/dbraw/zinc/81/33/10/554813310.db2.gz HAHCJCWHECKHRL-NDEPHWFRSA-N 0 3 472.589 3.283 50 0 biogenic JGAAHN CCN1CCC[C@@H]1CNC(=O)Cn1ncc2c3ccccc3n(Cc3ccc(F)cc3)c2c1=O ZINC000008933374 554827325 /nfs/dbraw/zinc/82/73/25/554827325.db2.gz OENRPKFXRXKVOP-HXUWFJFHSA-N 0 3 461.541 3.139 50 0 JGAAHN CC(C)CCN(C(=O)CN(C)C1CCCCCC1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000008944961 554833211 /nfs/dbraw/zinc/83/32/11/554833211.db2.gz QSACOAXPAPXCRJ-UHFFFAOYSA-N 0 3 469.630 3.201 50 0 JGAAHN CCOC(=O)c1c2c(sc1NC(=O)CSc1nc(C)cc(N)n1)C(C)(C)NC(C)(C)C2 ZINC000009118068 554907808 /nfs/dbraw/zinc/90/78/08/554907808.db2.gz UOSHGPFYWSTRKM-UHFFFAOYSA-N 0 3 463.629 3.496 50 0 JGAAHN CN(CCCNC(=O)[C@@H]1CCCN(c2ncnc3c2nc2n3CCCCC2)C1)Cc1ccccc1 ZINC000009153013 554941766 /nfs/dbraw/zinc/94/17/66/554941766.db2.gz HPZCYFKGICBAPG-JOCHJYFZSA-N 0 3 475.641 3.407 50 0 JGAAHN C[C@@H]1CCC[C@H](C)N1CCNC(=O)C1CCN(c2ncnc3c2nc2n3CCCCC2)CC1 ZINC000009211301 554981222 /nfs/dbraw/zinc/98/12/22/554981222.db2.gz UEKUTQASSNDLAO-KDURUIRLSA-N 0 3 453.635 3.148 50 0 JGAAHN O=C(C1CCN(Cc2cnn(-c3ccccc3)c2-n2cccc2)CC1)N1CCC2(CC1)OCCO2 ZINC000009251620 555026085 /nfs/dbraw/zinc/02/60/85/555026085.db2.gz NKBUYLFCTGVVKN-UHFFFAOYSA-N 0 3 475.593 3.241 50 0 JGAAHN CN(CC(=O)Nc1ccc(CN2CCCCC2)cc1)S(=O)(=O)c1ccc2c(c1)CCCC(=O)N2 ZINC000009266211 555042576 /nfs/dbraw/zinc/04/25/76/555042576.db2.gz YYZAMRHWTCZQGI-UHFFFAOYSA-N 0 3 484.622 3.207 50 0 JGAAHN C[C@@H]1CCCCN1CCNC(=O)Cn1ccc2cc(S(=O)(=O)N3CCCCCC3)ccc21 ZINC000009276506 555048543 /nfs/dbraw/zinc/04/85/43/555048543.db2.gz RFXHHXOWPZKDFC-HXUWFJFHSA-N 0 3 460.644 3.197 50 0 JGAAHN COc1ccc2c(c1)oc1c(c2=O)[C@H](c2cccc(OC)c2OC)N(CCCN(C)C)C1=O ZINC000009429786 555197048 /nfs/dbraw/zinc/19/70/48/555197048.db2.gz HFPULAWDVGDOKI-NRFANRHFSA-N 0 3 452.507 3.316 50 0 JGAAHN CC[C@H]1CCCCN1Cc1ccc(CNC(=O)CCc2nnc3ccc(N4CCCC4)nn32)o1 ZINC000009431010 555199442 /nfs/dbraw/zinc/19/94/42/555199442.db2.gz KDRJLPYUPJTRSU-IBGZPJMESA-N 0 3 465.602 3.331 50 0 JGAAHN CN(C)[C@H](CNC(=O)C1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1)Cc1ccccc1 ZINC000009464691 555237387 /nfs/dbraw/zinc/23/73/87/555237387.db2.gz PHEPNZQTKVGGLN-FQEVSTJZSA-N 0 3 497.583 3.395 50 0 JGAAHN Cc1cc(NC(=O)CSc2nc3ccccc3c(=O)n2CCCN2CCC(C)CC2)n[nH]1 ZINC000009472815 555255655 /nfs/dbraw/zinc/25/56/55/555255655.db2.gz LESHDYFXHBFSLU-UHFFFAOYSA-N 0 3 454.600 3.281 50 0 JGAAHN CCCCN(C)CCNC(=O)[C@@H]1c2ccccc2C(=O)N2CCc3cc(OC)c(OC)cc3[C@H]12 ZINC000009559269 555353558 /nfs/dbraw/zinc/35/35/58/555353558.db2.gz QHJSFMZXNJYNLD-JWQCQUIFSA-N 0 3 465.594 3.389 50 0 JGAAHN Cc1nn(-c2ccccc2)c2c1N(CC(=O)NC1CCN(Cc3ccccc3)CC1)C(=O)CS2 ZINC000009687001 555415106 /nfs/dbraw/zinc/41/51/06/555415106.db2.gz KZDSRNGAQCKANT-UHFFFAOYSA-N 0 3 475.618 3.400 50 0 JGAAHN Cc1ccc(CN2CC[C@@H](CNC(=O)CCc3nnc4ccc(NCc5ccco5)nn43)C2)cc1 ZINC000009744745 555476302 /nfs/dbraw/zinc/47/63/02/555476302.db2.gz DOCHTHMFBSCREH-NRFANRHFSA-N 0 3 473.581 3.209 50 0 JGAAHN CCOC(=O)c1ccc(NC(=O)CSc2nc(=O)n(CCN(CC)CC)c3c2CCCC3)cc1 ZINC000009747058 555478959 /nfs/dbraw/zinc/47/89/59/555478959.db2.gz NPZKLKHQUHMQIN-UHFFFAOYSA-N 0 3 486.638 3.371 50 0 JGAAHN COc1ccc([C@@H]2C[C@H](C(F)(F)F)n3ncc(C(=O)N4CCN5CCC[C@@H]5C4)c3N2)cc1OC ZINC000019840873 555508566 /nfs/dbraw/zinc/50/85/66/555508566.db2.gz LRWRAZXGNVOFJN-OXFYSEKESA-N 0 3 479.503 3.481 50 0 JGAAHN CC(C)(C[NH2+]C1CCN(c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)CC1)N1CCOCC1 ZINC000019939081 555557452 /nfs/dbraw/zinc/55/74/52/555557452.db2.gz QWXWEMYQPTVUSQ-UHFFFAOYSA-N 0 3 472.655 3.157 50 0 JGAAHN CC[C@@H](C)N(CCNC(=O)Cn1nc(Cc2cccnc2)c2ccccc2c1=O)Cc1ccco1 ZINC000009857749 555558977 /nfs/dbraw/zinc/55/89/77/555558977.db2.gz WNTXQDMEQYLLDW-HXUWFJFHSA-N 0 3 473.577 3.392 50 0 JGAAHN CCOC(=O)C1C(CN2CCN(Cc3ccccc3)CC2)=NC(=O)N[C@H]1c1ccc(OC(C)C)cc1 ZINC000020214449 555709770 /nfs/dbraw/zinc/70/97/70/555709770.db2.gz XKONNTVZAOTRNR-SANMLTNESA-N 0 3 492.620 3.463 50 0 JGAAHN CCOC(=O)C1=C(CN2CCN([C@H](C)CC)CC2)NC(=O)N[C@@H]1c1ccc(OC(C)C)cc1 ZINC000020214578 555710097 /nfs/dbraw/zinc/71/00/97/555710097.db2.gz WYBPONJTGFEZAI-WZONZLPQSA-N 0 3 458.603 3.061 50 0 JGAAHN CCOC(=O)C1C(CN2CCN([C@H](C)CC)CC2)=NC(=O)N[C@@H]1c1ccc(OC(C)C)cc1 ZINC000020214578 555710099 /nfs/dbraw/zinc/71/00/99/555710099.db2.gz WYBPONJTGFEZAI-WZONZLPQSA-N 0 3 458.603 3.061 50 0 JGAAHN CCN(CC)CCn1c(SCc2cccc(S(=O)(=O)N(C)C)c2)nc2ccccc2c1=O ZINC000010775556 555739450 /nfs/dbraw/zinc/73/94/50/555739450.db2.gz MZTGJNXQBHEMLC-UHFFFAOYSA-N 0 3 474.652 3.281 50 0 JGAAHN COc1ccc2c(c1)oc1c(c2=O)[C@H](c2ccc(OC)c(OC)c2)N(CCCN(C)C)C1=O ZINC000011614489 555791325 /nfs/dbraw/zinc/79/13/25/555791325.db2.gz IYXJDAYXRAJGCC-QFIPXVFZSA-N 0 3 452.507 3.316 50 0 JGAAHN CCCN1CCN(CCCNC(=O)CN2c3cc(Cl)ccc3Oc3ncccc3C2=O)CC1 ZINC000020532518 555802705 /nfs/dbraw/zinc/80/27/05/555802705.db2.gz UYWSDFSQRVWSEI-UHFFFAOYSA-N 0 3 471.989 3.021 50 0 JGAAHN COc1cccc(-n2cc(CNC3CCN(c4ccc(C(=O)N5CCC[C@H](O)C5)cc4)CC3)cn2)c1 ZINC000011783579 555814481 /nfs/dbraw/zinc/81/44/81/555814481.db2.gz JLJQTSPEZNAYCQ-SANMLTNESA-N 0 3 489.620 3.236 50 0 JGAAHN Cc1c2c(nn1-c1ccccc1)c(=O)n(CCC(=O)NCCCN1CCc3ccccc3C1)nc2C ZINC000020563558 555815422 /nfs/dbraw/zinc/81/54/22/555815422.db2.gz RIQZTFBPFPUCJG-UHFFFAOYSA-N 0 3 484.604 3.154 50 0 JGAAHN CC1=C(C(=O)N2CCc3c(cc(-c4cccc(F)c4)c(=O)n3CCN3CCCCC3)C2)OCCO1 ZINC000014531789 555819316 /nfs/dbraw/zinc/81/93/16/555819316.db2.gz UAIWUINDXMOAKA-UHFFFAOYSA-N 0 3 481.568 3.303 50 0 JGAAHN CCN1CCC[C@H]1CNC(=O)c1nn(CCOC)c2c1CN(Cc1ccc(C(F)(F)F)cc1)CC2 ZINC000014532267 555819950 /nfs/dbraw/zinc/81/99/50/555819950.db2.gz CCWJRTMJDXHTBT-FQEVSTJZSA-N 0 3 493.574 3.321 50 0 JGAAHN Cc1c(CN2CCC3(CC2)C(=O)N(Cc2ccccn2)C(=O)N3Cc2ccccc2)cnn1C ZINC000014536344 555825488 /nfs/dbraw/zinc/82/54/88/555825488.db2.gz RPGNXZKOAXWVRW-UHFFFAOYSA-N 0 3 458.566 3.123 50 0 JGAAHN CCN1C(=O)N(Cc2cccc(OC)c2)C(=O)C12CCN(Cc1ccc(NC(C)=O)cc1)CC2 ZINC000014539002 555828563 /nfs/dbraw/zinc/82/85/63/555828563.db2.gz BFOFTQMPRSEBCG-UHFFFAOYSA-N 0 3 464.566 3.473 50 0 JGAAHN COCCN1C(=O)N(CCc2ccc(OC)cc2)C2(CCN(CCc3ccccc3)CC2)C1=O ZINC000014539428 555829353 /nfs/dbraw/zinc/82/93/53/555829353.db2.gz QXQUIPVFRNJFRJ-UHFFFAOYSA-N 0 3 465.594 3.226 50 0 JGAAHN CCOC(=O)N1CCC(NC(=O)[C@H]2CC23CCN(Cc2cc(OC)cc(OC)c2)CC3)CC1 ZINC000011840394 555833141 /nfs/dbraw/zinc/83/31/41/555833141.db2.gz BOXLHHYPPGJDQP-JOCHJYFZSA-N 0 3 459.587 3.043 50 0 JGAAHN COCCN1C(=O)N(Cc2cccnc2)C(=O)C12CCN(C/C=C/c1ccccc1OC)CC2 ZINC000014542604 555833690 /nfs/dbraw/zinc/83/36/90/555833690.db2.gz AZXNPZSPPVQMGM-RMKNXTFCSA-N 0 3 464.566 3.049 50 0 JGAAHN C[C@@H]1CN(c2ccccc2)CCN1C(=O)C[C@@]1(c2ccccc2Cl)CC(=O)N(CCN(C)C)C1=O ZINC000011913604 555863403 /nfs/dbraw/zinc/86/34/03/555863403.db2.gz JUPKZBYWCMJUDV-HRFSGMKKSA-N 0 3 497.039 3.026 50 0 JGAAHN COc1ccc(C(=O)NCCc2nnc3n2CCN(CC[C@@H](C)c2ccc(C)o2)CC3)cc1 ZINC000015067138 555867156 /nfs/dbraw/zinc/86/71/56/555867156.db2.gz QGJSAVULIGYDCT-GOSISDBHSA-N 0 3 451.571 3.213 50 0 JGAAHN CCN1CCN(c2ccc(NC(=O)CN(C)S(=O)(=O)c3ccc4ccccc4c3)cc2)CC1 ZINC000011948637 555870007 /nfs/dbraw/zinc/87/00/07/555870007.db2.gz FPDLVFWJUHKLMC-UHFFFAOYSA-N 0 3 466.607 3.241 50 0 JGAAHN Cc1ccc([C@H](CNC(=O)c2ccc(N3C(=O)CCS3(=O)=O)cc2)N2CCCCCC2)cc1 ZINC000011998594 555881412 /nfs/dbraw/zinc/88/14/12/555881412.db2.gz CSWMOJHPWYBQEZ-QHCPKHFHSA-N 0 3 469.607 3.409 50 0 JGAAHN COc1ccc(C(=O)NCCc2nnc3n2CCN(Cc2cccc4ccccc42)CC3)cc1 ZINC000011999013 555881742 /nfs/dbraw/zinc/88/17/42/555881742.db2.gz WSPUXSIPTJIHIV-UHFFFAOYSA-N 0 3 455.562 3.471 50 0 JGAAHN COc1ccc([C@H](CNC(=O)C2CCN(S(=O)(=O)c3ccc(C)cc3C)CC2)N(C)C)cc1 ZINC000015387785 555901932 /nfs/dbraw/zinc/90/19/32/555901932.db2.gz YEZMKIJMPBXJQE-QHCPKHFHSA-N 0 3 473.639 3.132 50 0 JGAAHN C[C@@H](CNC(=O)CN1CCCCC1)Oc1ccc(CN2CCN(c3ccccc3)CC2)cc1 ZINC000012100094 555907537 /nfs/dbraw/zinc/90/75/37/555907537.db2.gz ZWXLSQHQPJVOQR-QHCPKHFHSA-N 0 3 450.627 3.378 50 0 JGAAHN COCc1c(C(=O)N(C)C[C@H]2CCCN(C)C2)cnn1-c1ncc(C)c(-c2cccs2)n1 ZINC000012150337 555922441 /nfs/dbraw/zinc/92/24/41/555922441.db2.gz YPCHHJVRGNECRY-KRWDZBQOSA-N 0 3 454.600 3.259 50 0 JGAAHN COC(=O)c1c(OCCCc2cccnc2)cc(=O)n2c1CCN(C[C@H]1CC=CCC1)CC2 ZINC000012151799 555924890 /nfs/dbraw/zinc/92/48/90/555924890.db2.gz KKDFWHXNEJKYIX-NRFANRHFSA-N 0 3 451.567 3.256 50 0 JGAAHN O=C(NCCCN1CCCC1)c1cn(Cc2ccccn2)cc(C(=O)NC2CCCCCCC2)c1=O ZINC000012152411 555926305 /nfs/dbraw/zinc/92/63/05/555926305.db2.gz NXKRPYJEEAKHMO-UHFFFAOYSA-N 0 3 493.652 3.350 50 0 JGAAHN CCC(CC)CN1C[C@H](n2cc(C(=O)OC)nn2)C[C@H]1C(=O)NCc1cccc(C(F)(F)F)c1 ZINC000012191674 555939094 /nfs/dbraw/zinc/93/90/94/555939094.db2.gz RBHWFDDAOHHLKN-QUCCMNQESA-N 0 3 481.519 3.452 50 0 JGAAHN O=C(Cn1ccc2cc(S(=O)(=O)N3CCCCCC3)ccc21)NCCN1CCCCCC1 ZINC000015722292 555956835 /nfs/dbraw/zinc/95/68/35/555956835.db2.gz SNCLHCOGQDXNNT-UHFFFAOYSA-N 0 3 460.644 3.198 50 0 JGAAHN Cn1c2nc(N3CCN(Cc4cccc5ccccc54)CC3)n(Cc3ccc(F)cc3)c2c(=O)[nH]c1=O ZINC000022855261 555962409 /nfs/dbraw/zinc/96/24/09/555962409.db2.gz DIGMEUZCLMKTEC-UHFFFAOYSA-N 0 3 498.562 3.086 50 0 JGAAHN COc1cccc(CCN2CCC(CNS(=O)(=O)c3ccc4c(c3)NC(=O)CCS4)CC2)c1 ZINC000015731077 555973514 /nfs/dbraw/zinc/97/35/14/555973514.db2.gz YLIILXUERMVTEK-UHFFFAOYSA-N 0 3 489.663 3.363 50 0 JGAAHN C=C1C(N2CCC(C(=O)NC[C@H]3CCCN3CC)CC2)=NS(=O)(=O)C1c1ccc(C)c(C)c1 ZINC000015732942 555977677 /nfs/dbraw/zinc/97/76/77/555977677.db2.gz WDPDBTMWPIRVFE-JOCHJYFZSA-N 0 3 472.655 3.089 50 0 JGAAHN Cc1ccc(CN2CC[C@@H](CNC(=O)CCc3nnc4ccc(NCc5cccnc5)nn43)C2)cc1 ZINC000015776342 555996378 /nfs/dbraw/zinc/99/63/78/555996378.db2.gz TWMSLHJRFPKMBI-QHCPKHFHSA-N 0 3 484.608 3.011 50 0 JGAAHN COc1ccc([C@@H](CNC(=O)c2ccc(S(=O)(=O)N3C[C@H](C)C[C@H](C)C3)cc2)N(C)C)cc1 ZINC000012528944 555997865 /nfs/dbraw/zinc/99/78/65/555997865.db2.gz SLEZRUPRYHGPTI-YDIMBITNSA-N 0 3 473.639 3.395 50 0 JGAAHN CN(CCCNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc3c(ccn3C)c2)C1)Cc1ccccc1 ZINC000015784471 556003407 /nfs/dbraw/zinc/00/34/07/556003407.db2.gz VPZFVIQLIVPLAG-HSZRJFAPSA-N 0 3 482.650 3.217 50 0 JGAAHN Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@H]1N2C(=O)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 ZINC000012563167 556057973 /nfs/dbraw/zinc/05/79/73/556057973.db2.gz WVPUURAPDOYNSE-SIKLNZKXSA-N 0 3 490.025 3.117 50 0 JGAAHN CC(C)(CNC(=O)c1cccc(NC(=O)Cc2sc(N3CCCCC3)nc2[O-])c1)[NH+]1CCCCC1 ZINC000023735773 556086441 /nfs/dbraw/zinc/08/64/41/556086441.db2.gz IAAVLKMSUZRYLY-OAQYLSRUSA-N 0 3 499.681 3.493 50 0 JGAAHN Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@H]1N2C(=S)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000016035528 556118916 /nfs/dbraw/zinc/11/89/16/556118916.db2.gz NTUZEPGBFIFGDK-JTHBVZDNSA-N 0 3 486.663 3.021 50 0 JGAAHN CCN(CC)[C@@H](CNC(=O)c1ccc(S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)cc1)c1ccccc1 ZINC000012926460 556144603 /nfs/dbraw/zinc/14/46/03/556144603.db2.gz SPAXGSRCKGPGOR-ROKPMTFOSA-N 0 3 473.639 3.297 50 0 JGAAHN CCN(CC)[C@H](CNC(=O)c1ccc(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)cc1)c1ccccc1 ZINC000012926473 556144622 /nfs/dbraw/zinc/14/46/22/556144622.db2.gz SPAXGSRCKGPGOR-MZLICYQSSA-N 0 3 473.639 3.297 50 0 JGAAHN O=C1C2=C(C(O)n3nnc4ccccc43)N3c4ccccc4C=C[C@H]3C2C(=O)N1c1ccccc1F ZINC000018100906 556287698 /nfs/dbraw/zinc/28/76/98/556287698.db2.gz FHZFSVQHORGVGB-NEWJYFPISA-N 0 3 479.471 3.301 50 0 JGAAHN CCOc1ccc(N2C(=O)C[C@H](NC3CCN(c4ccc(C(F)(F)F)cn4)CC3)C2=O)cc1 ZINC000018114630 556289254 /nfs/dbraw/zinc/28/92/54/556289254.db2.gz MCXWWANHSHEQTH-IBGZPJMESA-N 0 3 462.472 3.390 50 0 JGAAHN O=C(NCc1ccccc1CN1CCCCC1)[C@@H]1CCCN1S(=O)(=O)c1ccc(F)cc1 ZINC000013120958 556335198 /nfs/dbraw/zinc/33/51/98/556335198.db2.gz GONUVGDWLSOPTQ-QHCPKHFHSA-N 0 3 459.587 3.281 50 0 JGAAHN COC(=O)C1=C(C)N(c2ccccc2)C(=O)CC1C(=O)Nc1cc(OC)c(OC)c(OC)c1 ZINC000019819088 556387240 /nfs/dbraw/zinc/38/72/40/556387240.db2.gz AHWWAXGWYYSNBE-QGZVFWFLSA-N 0 3 454.479 3.151 50 0 JGAAHN COCCn1c(SCC(=O)NC[C@@H](c2ccccc2)N(C)C)nc2sc3c(c2c1=O)CCC3 ZINC000032691756 556471198 /nfs/dbraw/zinc/47/11/98/556471198.db2.gz OHWJBUXOEMNDOM-SFHVURJKSA-N 0 3 486.663 3.104 50 0 JGAAHN CC[NH+](CC)CCOc1ccccc1C[N-]S(=O)(=O)c1cc(C(=O)OC)ccc1Cl ZINC000032929511 556546025 /nfs/dbraw/zinc/54/60/25/556546025.db2.gz NQOHRFNTCQKXTI-UHFFFAOYSA-N 0 3 454.976 3.326 50 0 JGAAHN CCN(CC)C(=O)[C@H]1CCCN(Cc2ccc3c(c2)CN(Cc2cn(C)nc2C)CCO3)C1 ZINC000055107692 569590869 /nfs/dbraw/zinc/59/08/69/569590869.db2.gz BDICONKBPJQRSR-QFIPXVFZSA-N 0 3 453.631 3.204 50 0 JGAAHN Cc1ccc(S(=O)(=O)N2CCC(CC(=O)NCCCN(C)Cc3ccccc3)CC2)cc1 ZINC000032974001 569605314 /nfs/dbraw/zinc/60/53/14/569605314.db2.gz HXQCXIXDOLFJTA-UHFFFAOYSA-N 0 3 457.640 3.424 50 0 JGAAHN CCN1CCN(CCNC(=O)CCc2cn(-c3ccccc3)nc2-c2cc(OC)ccc2OC)CC1 ZINC000032975002 569606047 /nfs/dbraw/zinc/60/60/47/569606047.db2.gz HQDLTCBQTQJAQP-UHFFFAOYSA-N 0 3 491.636 3.243 50 0 JGAAHN CCOC(=O)C1=NN(c2ccccc2)[C@H](C(=O)NCC2CCN(Cc3ccc(OC)cc3)CC2)C1 ZINC000060381950 569608979 /nfs/dbraw/zinc/60/89/79/569608979.db2.gz RHDBWDYLTPLNHR-VWLOTQADSA-N 0 3 478.593 3.221 50 0 JGAAHN CN(C(=O)[C@@H]1CC(=O)N(c2ccccc2Br)C1)C1CCN(CCc2ccncc2)CC1 ZINC000062594979 569612726 /nfs/dbraw/zinc/61/27/26/569612726.db2.gz CODCVLQOOWFTDB-LJQANCHMSA-N 0 3 485.426 3.363 50 0 JGAAHN Cc1cc2nc(C)c(=O)n(CCC(=O)NCCCN3CCN(Cc4ccccc4)CC3)c2cc1C ZINC000033005699 569614515 /nfs/dbraw/zinc/61/45/15/569614515.db2.gz CJAODQNDLWQJIE-UHFFFAOYSA-N 0 3 475.637 3.036 50 0 JGAAHN CN(CC(=O)Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1)S(=O)(=O)c1ccc(F)cc1 ZINC000062728454 569614678 /nfs/dbraw/zinc/61/46/78/569614678.db2.gz XCQNHKTYBNBHPI-UHFFFAOYSA-N 0 3 496.608 3.407 50 0 JGAAHN CCn1c(=O)c2ccccc2n(CC(=O)Nc2ccc(N3CCN(Cc4ccccc4)CC3)cc2)c1=O ZINC000062734734 569614790 /nfs/dbraw/zinc/61/47/90/569614790.db2.gz ILYICOHIBLNDNG-UHFFFAOYSA-N 0 3 497.599 3.144 50 0 JGAAHN Cc1ccc(-c2nnc3ccc(N4CCC(C(=O)NCCN5CCCCCC5)CC4)nn32)cc1 ZINC000033010176 569616590 /nfs/dbraw/zinc/61/65/90/569616590.db2.gz LHXYTTIDKBEADO-UHFFFAOYSA-N 0 3 461.614 3.308 50 0 JGAAHN CCN1CCN(CCCNS(=O)(=O)c2cccc(-c3nc(-c4ccc(C)cc4)no3)c2)CC1 ZINC000064610950 569622930 /nfs/dbraw/zinc/62/29/30/569622930.db2.gz UOMGARUWSJADFY-UHFFFAOYSA-N 0 3 469.611 3.018 50 0 JGAAHN Cc1cc(C)c2c(n1)SCCN2C(=O)Nc1cccc(C(=O)NCCCN2CCN(C)CC2)c1 ZINC000064816997 569634001 /nfs/dbraw/zinc/63/40/01/569634001.db2.gz ADDSTOPNJDEWCL-UHFFFAOYSA-N 0 3 482.654 3.210 50 0 JGAAHN Cc1ccc2oc(=O)n(Cc3noc(C(=O)NCC4CCN(Cc5ccccc5F)CC4)n3)c2c1 ZINC000065111788 569664677 /nfs/dbraw/zinc/66/46/77/569664677.db2.gz ROPDENYELINBFJ-UHFFFAOYSA-N 0 3 479.512 3.115 50 0 JGAAHN O=C(NCCN1CCOCC1)C1CCN(Cc2cc3ccccc3n2Cc2ccc(F)cc2)CC1 ZINC000065314997 569672682 /nfs/dbraw/zinc/67/26/82/569672682.db2.gz GDNIKSAWTZGHKA-UHFFFAOYSA-N 0 3 478.612 3.489 50 0 JGAAHN O=C(NCCN1CCCCC1)[C@@H]1CCCN(c2nc3ccccc3n(Cc3ccccc3)c2=O)C1 ZINC000035422527 569692722 /nfs/dbraw/zinc/69/27/22/569692722.db2.gz SIYWBUPBVODVAB-HSZRJFAPSA-N 0 3 473.621 3.263 50 0 JGAAHN O=C(Cn1cnc2c3cc(Br)ccc3[nH]c2c1=O)N1CCN(C2CCCCC2)CC1 ZINC000035423650 569693026 /nfs/dbraw/zinc/69/30/26/569693026.db2.gz HMUPXUNEUHBFEK-UHFFFAOYSA-N 0 3 472.387 3.117 50 0 JGAAHN Cc1cc(=O)c(C(=O)NCc2ccc(CN3CCN(C)CC3)cc2)nn1-c1cccc(C(F)(F)F)c1 ZINC000069627793 569693476 /nfs/dbraw/zinc/69/34/76/569693476.db2.gz QTADVOYJPJKUFC-UHFFFAOYSA-N 0 3 499.537 3.237 50 0 JGAAHN CCN1CCN(CCCNC(=O)[C@H](C)C2CCN(C(=O)c3cc4cc(Cl)ccc4[nH]3)CC2)CC1 ZINC000035562086 569704696 /nfs/dbraw/zinc/70/46/96/569704696.db2.gz PLSJFSLJWHQAOD-LJQANCHMSA-N 0 3 488.076 3.453 50 0 JGAAHN COc1ccc(OC)c(-c2cc(C(=O)N(CCC(=O)NCCN(C)C)Cc3ccccc3)no2)c1 ZINC000036015105 569749026 /nfs/dbraw/zinc/74/90/26/569749026.db2.gz NTWTTZCCQVZUDB-UHFFFAOYSA-N 0 3 480.565 3.069 50 0 JGAAHN Cc1cc(F)ccc1OCC(=O)c1ccc2c(c1)N([C@H](C)C(=O)NCCN1CCCCC1)C(=O)CO2 ZINC000037510814 569791421 /nfs/dbraw/zinc/79/14/21/569791421.db2.gz YXYCFBYZUJDZEJ-LJQANCHMSA-N 0 3 497.567 3.112 50 0 JGAAHN CCC1=C(C(=O)OC)[C@H](c2ccccc2OC)N2C(CC(=O)NCCN3CCCC3)=CSC2=N1 ZINC000102761697 569822172 /nfs/dbraw/zinc/82/21/72/569822172.db2.gz QZHZTXDVMLCGBV-QHCPKHFHSA-N 0 3 484.622 3.435 50 0 JGAAHN COC(=O)C1=C(C)N=C2SC=C(CC(=O)NC3CCN(C)CC3)N2[C@H]1c1cccc(F)c1 ZINC000102940821 569829472 /nfs/dbraw/zinc/82/94/72/569829472.db2.gz LIFHZPRXLFTNAA-NRFANRHFSA-N 0 3 458.559 3.174 50 0 JGAAHN CCC1=C(C(=O)OC)[C@@H](c2ccccc2)N2C(CC(=O)NC3CCN(C)CC3)=CSC2=N1 ZINC000102940754 569829478 /nfs/dbraw/zinc/82/94/78/569829478.db2.gz WLEJTHWQNWKXPY-JOCHJYFZSA-N 0 3 454.596 3.425 50 0 JGAAHN COCCOC(=O)C1=C(C)N=C2SC=C(CC(=O)NCCN(C)C)N2[C@@H]1c1cc(C)ccc1C ZINC000103408671 569834966 /nfs/dbraw/zinc/83/49/66/569834966.db2.gz UGOBBXJUHXCFDF-HSZRJFAPSA-N 0 3 486.638 3.136 50 0 JGAAHN CCN1CCC[C@@H]1CNC(=O)[C@@]1(O)c2cc(Br)ccc2NC(=O)N1c1ccccc1 ZINC000103582070 569836486 /nfs/dbraw/zinc/83/64/86/569836486.db2.gz RMKFLSCSBFETSJ-VGSWGCGISA-N 0 3 473.371 3.247 50 0 JGAAHN CCN1CCC[C@H]1CNC(=O)c1nn(CCOC)c2c1CN([C@H](C)CCc1ccc(OC)cc1)CC2 ZINC000104361213 569845295 /nfs/dbraw/zinc/84/52/95/569845295.db2.gz TWIOSUZMKRTELR-GGAORHGYSA-N 0 3 497.684 3.132 50 0 JGAAHN O=C(NCC[NH+]1CCCCC1)[C@@H]1CCCN(c2nc(=O)c3scc(-c4ccccc4)c3[n-]2)C1 ZINC000049421229 569846876 /nfs/dbraw/zinc/84/68/76/569846876.db2.gz UUQMBTAVJGBOOO-LJQANCHMSA-N 0 3 465.623 3.470 50 0 JGAAHN C[C@@H]1CCCCN1CCCNC(=O)C[S@@](=O)Cc1cnn(-c2ccccc2)c1-n1cccc1 ZINC000169682773 569871027 /nfs/dbraw/zinc/87/10/27/569871027.db2.gz SUYOHEFFNWVPNF-PPGPUPIYSA-N 0 3 467.639 3.292 50 0 JGAAHN COc1ccc2c(c1)N1CCN(c3ccccc3Cl)C[C@H]1[C@H](C(=O)NCCN1CCCC1)C2 ZINC000230128603 570045247 /nfs/dbraw/zinc/04/52/47/570045247.db2.gz TVTLHOIIMSDMRL-BWKNWUBXSA-N 0 3 469.029 3.428 50 0 JGAAHN COc1ccc2c(c1)N1CCN(c3ccccc3Cl)C[C@H]1[C@@H](C(=O)NCCN1CCCC1)C2 ZINC000230128598 570045305 /nfs/dbraw/zinc/04/53/05/570045305.db2.gz TVTLHOIIMSDMRL-OFVILXPXSA-N 0 3 469.029 3.428 50 0 JGAAHN O=C(c1ccccc1)C1c2c(O)n(-c3ccccc3)c(O)c2[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]12 ZINC000239274828 570049912 /nfs/dbraw/zinc/04/99/12/570049912.db2.gz ASOFGXIWESKJEW-XZCBWCRCSA-N 0 3 464.477 3.111 50 0 JGAAHN CCN1CCN(C(=O)[C@H]2CCCN(Cc3nc4ccccc4n3Cc3ccc(OC)cc3)C2)CC1 ZINC000249687628 570078485 /nfs/dbraw/zinc/07/84/85/570078485.db2.gz HLOSUXMAQVEHJI-QHCPKHFHSA-N 0 3 475.637 3.469 50 0 JGAAHN C[C@@H]1CCCCN1CCNC(=O)c1cc(=O)[nH]c2ccc(S(=O)(=O)N3CCCC[C@H]3C)cc21 ZINC000253530840 570102992 /nfs/dbraw/zinc/10/29/92/570102992.db2.gz UVWYKXSMHRSXEK-QZTJIDSGSA-N 0 3 474.627 3.108 50 0 JGAAHN COc1ccc(Cn2c(CN3CCC(C(=O)N4CCN[C@H](C)C4)CC3)nc3ccccc32)cc1 ZINC000253602619 570104421 /nfs/dbraw/zinc/10/44/21/570104421.db2.gz DDIPJIUBQLATRD-HXUWFJFHSA-N 0 3 461.610 3.126 50 0 JGAAHN COCCn1ccc2c1cccc2OCC(=O)NC1CCN(Cc2ccc(OC)cc2)CC1 ZINC000263588538 570172529 /nfs/dbraw/zinc/17/25/29/570172529.db2.gz VLFBRAADNFZSQL-UHFFFAOYSA-N 0 3 451.567 3.456 50 0 JGAAHN Cc1cccc(C(=O)Nc2nc3c(s2)C(=O)C[C@H](C(=O)NCC(C)(C)CN(C)C)C3)c1C ZINC000299766731 570175343 /nfs/dbraw/zinc/17/53/43/570175343.db2.gz HALLCVBKBKADCW-MRXNPFEDSA-N 0 3 456.612 3.461 50 0 JGAAHN O=C(c1ccc(Cl)c(NC2=N[C@@H]3CS(=O)(=O)C[C@@H]3S2)c1)N1CCN(C2CCCCC2)CC1 ZINC000002959311 194181071 /nfs/dbraw/zinc/18/10/71/194181071.db2.gz URLPAZHPEPACMM-UXHICEINSA-N 0 3 497.086 3.111 50 0 JGAAHN CC[C@H](C)NC(=O)CSC1=Nc2ccccc2C2=NC(CC(=O)NCc3cccs3)C(=O)N21 ZINC000002967739 194185236 /nfs/dbraw/zinc/18/52/36/194185236.db2.gz WMQCMYRJCMDABZ-KBXCAEBGSA-N 0 3 483.619 3.061 50 0 JGAAHN CN(C)[C@H](CNC(=O)c1cccc(S(=O)(=O)N2CCc3ccccc3C2)c1)c1ccccc1 ZINC000003290515 194266913 /nfs/dbraw/zinc/26/69/13/194266913.db2.gz ZVBQKIJJCRJGPY-RUZDIDTESA-N 0 3 463.603 3.466 50 0 JGAAHN CN(C)[C@H](CNC(=O)/C=C/c1ccc(S(=O)(=O)NCc2ccco2)cc1)c1ccccc1 ZINC000003318027 194279820 /nfs/dbraw/zinc/27/98/20/194279820.db2.gz OXLHKIBKNGQORY-MEWQITQSSA-N 0 3 453.564 3.190 50 0 JGAAHN CN(CCNC(=O)C1CCN(c2ncnc3c2nc2n3CCCCC2)CC1)Cc1ccccc1 ZINC000009211265 194599319 /nfs/dbraw/zinc/59/93/19/194599319.db2.gz BYACKNVPCVXITP-UHFFFAOYSA-N 0 3 461.614 3.017 50 0 JGAAHN CCCCN(CC)Cc1ccc(CNC(=O)[C@@H]2CCCN(c3nnc(N4CCCC4=O)s3)C2)o1 ZINC000009747573 194941066 /nfs/dbraw/zinc/94/10/66/194941066.db2.gz WVGMVXSQHNUKLI-GOSISDBHSA-N 0 3 488.658 3.413 50 0 JGAAHN CC(C)(CNC(=O)c1cccc(S(=O)(=O)N2CCN(c3ccccc3)CC2)c1)N1CCCCC1 ZINC000012609800 195053774 /nfs/dbraw/zinc/05/37/74/195053774.db2.gz XUSFSVUMLZHJQH-UHFFFAOYSA-N 0 3 484.666 3.192 50 0 JGAAHN Cc1ccc(S(=O)(=O)N2CCC(C(=O)NC[C@@H](c3cccs3)N3CCCC3)CC2)cc1 ZINC000012762232 195111361 /nfs/dbraw/zinc/11/13/61/195111361.db2.gz OYQOUVPCLGQXPD-NRFANRHFSA-N 0 3 461.653 3.411 50 0 JGAAHN C=C1C(Nc2ccc(CN3CCN(CC)CC3)cc2)=NS(=O)(=O)C1c1ccc(OC)cc1 ZINC000020901020 195241347 /nfs/dbraw/zinc/24/13/47/195241347.db2.gz BWUKBQPNSYYFSR-UHFFFAOYSA-N 0 3 454.596 3.418 50 0 JGAAHN COc1ccc(-c2noc(N3CCC[C@@H](C(=O)N4CCN(C5CCCCC5)CC4)C3)n2)cc1 ZINC000020924154 195248932 /nfs/dbraw/zinc/24/89/32/195248932.db2.gz DQXHWEJLDGDEMY-HXUWFJFHSA-N 0 3 453.587 3.439 50 0 JGAAHN COc1ccc([C@@H](CNC(=O)c2cn(C)nc2-c2ccc3c(c2)OCCCO3)N(C)C)cc1 ZINC000020932184 195251615 /nfs/dbraw/zinc/25/16/15/195251615.db2.gz SONONQJWTMXMQY-OAQYLSRUSA-N 0 3 450.539 3.290 50 0 JGAAHN Cc1ccc(C)c(CN2CCC(CNS(=O)(=O)c3ccc(-c4ccc(=O)[nH]n4)s3)CC2)c1 ZINC000020985025 195260516 /nfs/dbraw/zinc/26/05/16/195260516.db2.gz CGHDBXMJJLZSIV-UHFFFAOYSA-N 0 3 472.636 3.306 50 0 JGAAHN O=C(NCCc1nnc2n1CCN(Cc1ccc(-c3ccccc3)cc1)CC2)c1cccnc1 ZINC000020996799 195264990 /nfs/dbraw/zinc/26/49/90/195264990.db2.gz BBSMXVJAOFUGNB-UHFFFAOYSA-N 0 3 452.562 3.371 50 0 JGAAHN Cc1c(C(=O)N2CCCCCC2)c(S(=O)(=O)N2CCC(N3CCCCC3)CC2)c(C)n1C ZINC000021154452 195284353 /nfs/dbraw/zinc/28/43/53/195284353.db2.gz NETLPXLOGBPCFM-UHFFFAOYSA-N 0 3 464.676 3.297 50 0 JGAAHN CC(=O)N1CCCc2cc(S(=O)(=O)NCC3CCN(CCc4cccs4)CC3)ccc21 ZINC000033077339 519563524 /nfs/dbraw/zinc/56/35/24/519563524.db2.gz CSEMIAYZAJQZMG-UHFFFAOYSA-N 0 3 461.653 3.280 50 0 JGAAHN CC(C)CNC(=O)c1cc([N-]S(=O)(=O)c2ccc(F)c(Cl)c2)ccc1N1CC[NH2+]CC1 ZINC000033121270 519741426 /nfs/dbraw/zinc/74/14/26/519741426.db2.gz VTNOVOKTOGPIDV-UHFFFAOYSA-N 0 3 468.982 3.075 50 0 JGAAHN CC(C)[C@@H](NS(C)(=O)=O)c1nnc2n1CCN(Cc1ccc3c(c1)Cc1ccccc1-3)CC2 ZINC000014882809 519799463 /nfs/dbraw/zinc/79/94/63/519799463.db2.gz XFGUVZLDYNYSEW-XMMPIXPASA-N 0 3 465.623 3.154 50 0 JGAAHN CCCN1CCN(CCCNC(=O)[C@H]2CCCN(c3nc4ccc(OCC)cc4s3)C2)CC1 ZINC000020383588 519858342 /nfs/dbraw/zinc/85/83/42/519858342.db2.gz JFSJBCNOSNGYAC-FQEVSTJZSA-N 0 3 473.687 3.445 50 0 JGAAHN CCCN1CCN(c2ncnc3sc(C(=O)NCc4ccc(OC)cc4OC)c(C)c32)CC1 ZINC000033048439 519860816 /nfs/dbraw/zinc/86/08/16/519860816.db2.gz OVSRJDIXBAYUMO-UHFFFAOYSA-N 0 3 469.611 3.479 50 0 JGAAHN CC(C)n1cnc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3cccc(CN4CCCC4)c3)C2)c1 ZINC000064958386 520047463 /nfs/dbraw/zinc/04/74/63/520047463.db2.gz ODZZVTWFUQSROO-HXUWFJFHSA-N 0 3 459.616 3.099 50 0 JGAAHN CCCCCN(CC(=O)N(CC)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O)[C@@H](C)CCC ZINC000048341083 520155615 /nfs/dbraw/zinc/15/56/15/520155615.db2.gz QSLNMPYHVSWYPD-IBGZPJMESA-N 0 3 457.619 3.201 50 0 JGAAHN CCN(CC)CCOC(=O)c1ccc(N2CC3=C(C2=O)[C@@H](c2ccccc2)NC(=O)N3C)cc1 ZINC000012411638 520692378 /nfs/dbraw/zinc/69/23/78/520692378.db2.gz QRBXQEHDKOZJBT-HSZRJFAPSA-N 0 3 462.550 3.182 50 0 JGAAHN CCN(CC)CCOC(=O)c1ccc(N2CC3=C(C2=O)[C@H](c2ccccc2)NC(=O)N3C)cc1 ZINC000012411637 520692767 /nfs/dbraw/zinc/69/27/67/520692767.db2.gz QRBXQEHDKOZJBT-QHCPKHFHSA-N 0 3 462.550 3.182 50 0 JGAAHN CCN(CC)[C@@H](CNC(=O)C1CCN(S(=O)(=O)c2ccccc2F)CC1)c1ccccc1 ZINC000014577360 520832910 /nfs/dbraw/zinc/83/29/10/520832910.db2.gz IWBKOIQDLDGHBW-QFIPXVFZSA-N 0 3 461.603 3.426 50 0 JGAAHN CCN(CC)[C@H](CNC(=O)[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1)c1cccc(OC)c1 ZINC000022700783 520864973 /nfs/dbraw/zinc/86/49/73/520864973.db2.gz ADVPSWBTWCBYAO-TZIWHRDSSA-N 0 3 479.668 3.357 50 0 JGAAHN CCC[C@@]1(C2CCN(C(=O)c3ccc(F)cc3F)CC2)NC(=O)N(CC[C@@H]2CCCN2C)C1=O ZINC000014884372 520956570 /nfs/dbraw/zinc/95/65/70/520956570.db2.gz BXMVXTMLORVNFT-DFBJGRDBSA-N 0 3 476.568 3.392 50 0 JGAAHN CCC[C@@]1(C2CCN(Cc3cc(OC)cc(OC)c3)CC2)NC(=O)N(C[C@H]2CCCO2)C1=O ZINC000014882012 520958263 /nfs/dbraw/zinc/95/82/63/520958263.db2.gz IMSKTOHHVZQJJQ-NLFFAJNJSA-N 0 3 459.587 3.186 50 0 JGAAHN CCOc1ccc(CN2CCC([C@]3(c4ccccn4)NC(=O)N(C[C@H]4CCCO4)C3=O)CC2)cc1 ZINC000012244326 520968355 /nfs/dbraw/zinc/96/83/55/520968355.db2.gz MXOLCMRCGIXLGS-YIXXDRMTSA-N 0 3 478.593 3.319 50 0 JGAAHN CCC[C@]1(C2CCN(C(=O)c3ccc(F)cc3F)CC2)NC(=O)N(CC[C@H]2CCCN2C)C1=O ZINC000014884379 521313427 /nfs/dbraw/zinc/31/34/27/521313427.db2.gz BXMVXTMLORVNFT-KBMIEXCESA-N 0 3 476.568 3.392 50 0 JGAAHN CCCCn1c(=O)[nH]nc1SCC(=O)Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1 ZINC000014640905 521356181 /nfs/dbraw/zinc/35/61/81/521356181.db2.gz YZRFCKUOKRJESL-UHFFFAOYSA-N 0 3 480.638 3.425 50 0 JGAAHN CCCc1ccc(S(=O)(=O)[N-]c2ccc(N3CC[NH2+]CC3)c(C(=O)NCC(C)C)c2)cc1 ZINC000033121285 521412051 /nfs/dbraw/zinc/41/20/51/521412051.db2.gz APJSPXZCLMUPCQ-UHFFFAOYSA-N 0 3 458.628 3.235 50 0 JGAAHN CCN1C(=O)N(CCCc2cccnc2)C(=O)C12CCN(Cc1ccc(NC(C)=O)cc1)CC2 ZINC000014752031 521525775 /nfs/dbraw/zinc/52/57/75/521525775.db2.gz JSIKOFAQGOMQQZ-UHFFFAOYSA-N 0 3 463.582 3.292 50 0 JGAAHN CCN1CCN(CCCNC(=O)C2CCN(c3ncnc4c3sc3cccc(F)c34)CC2)CC1 ZINC000020415136 521679588 /nfs/dbraw/zinc/67/95/88/521679588.db2.gz SZBSPIVWBDADPL-UHFFFAOYSA-N 0 3 484.645 3.344 50 0 JGAAHN CCN1CCN(CCNC(=O)c2ccc3c(c2)NC(=O)/C(=C\c2ccc(OC)c(OC)c2)S3)CC1 ZINC000043855066 521683592 /nfs/dbraw/zinc/68/35/92/521683592.db2.gz MALLHURRTJCPBM-LFVJCYFKSA-N 0 3 496.633 3.156 50 0 JGAAHN COC(=O)c1ccc(CN2CCC3(CC2)C(=O)N(Cc2ccccn2)C(=O)N3CC(C)C)cc1 ZINC000014749466 522004846 /nfs/dbraw/zinc/00/48/46/522004846.db2.gz DSYPKHZQPFCGSI-UHFFFAOYSA-N 0 3 464.566 3.323 50 0 JGAAHN CC[C@@H](C)NC(=O)c1cc([N-]S(=O)(=O)c2c(C)cc(C)cc2C)ccc1N1CC[NH2+]CC1 ZINC000033121297 522215685 /nfs/dbraw/zinc/21/56/85/522215685.db2.gz YKPFQSBIWCVBFJ-LJQANCHMSA-N 0 3 458.628 3.351 50 0 JGAAHN COC[C@@H](O)CN(CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(F)cc1)CC1CC1 ZINC000036310213 522398863 /nfs/dbraw/zinc/39/88/63/522398863.db2.gz PKTKNLFWHFAWPZ-UGKGYDQZSA-N 0 3 462.587 3.111 50 0 JGAAHN COc1cc(CNCCNC(=O)c2nonc2N)cc(Cl)c1OCc1ccccc1Cl ZINC000016195811 522450523 /nfs/dbraw/zinc/45/05/23/522450523.db2.gz PEHKZUPBUDXGKT-UHFFFAOYSA-N 0 3 466.325 3.066 50 0 JGAAHN CN(CCCNC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl)Cc1ccccc1 ZINC000033131254 522766770 /nfs/dbraw/zinc/76/67/70/522766770.db2.gz MNRSTABYYVPDRU-UHFFFAOYSA-N 0 3 450.004 3.376 50 0 JGAAHN CN(CCNC(=O)Cn1c2ccccc2n(Cc2ccc(Cl)cc2)c(=O)c1=O)Cc1ccccc1 ZINC000033068597 522850362 /nfs/dbraw/zinc/85/03/62/522850362.db2.gz FZCDWTAXZZJIID-UHFFFAOYSA-N 0 3 490.991 3.113 50 0 JGAAHN CCn1c2ccccc2nc(SCC(=O)NC[C@H]2CCN(Cc3ccc(C)cc3)C2)c1=O ZINC000045967536 523285500 /nfs/dbraw/zinc/28/55/00/523285500.db2.gz METHJYFFTKUWDB-HXUWFJFHSA-N 0 3 450.608 3.455 50 0 JGAAHN COCCCN1C(=O)N(Cc2ccccn2)C(=O)C12CCN(Cc1cn(C)c3ccccc13)CC2 ZINC000014742277 523290436 /nfs/dbraw/zinc/29/04/36/523290436.db2.gz JEXBNIDBTHBVDJ-UHFFFAOYSA-N 0 3 475.593 3.409 50 0 JGAAHN COCCCN1C(=O)N(Cc2ccccc2)C(=O)C12CCN(Cc1ccc3nccnc3c1)CC2 ZINC000014744665 523290499 /nfs/dbraw/zinc/29/04/99/523290499.db2.gz NKRCULHRRZKUEY-UHFFFAOYSA-N 0 3 473.577 3.465 50 0 JGAAHN CCc1ccc(-c2cc3n(n2)C[C@@](C)(C(=O)NC2CCCCC2)N(CCN(C)C)C3=O)cc1 ZINC000021852959 523855439 /nfs/dbraw/zinc/85/54/39/523855439.db2.gz SRJXSQMHVAJPEE-SANMLTNESA-N 0 3 451.615 3.338 50 0 JGAAHN COc1ccc(CCN[C@H]2CC(=O)N(c3ccc(OC(F)(F)Cl)cc3)C2=O)cc1OC ZINC000012371319 523977706 /nfs/dbraw/zinc/97/77/06/523977706.db2.gz FYOHAQQCFZOPDA-INIZCTEOSA-N 0 3 454.857 3.336 50 0 JGAAHN CC[C@H](C)NC(=O)c1cc([N-]S(=O)(=O)c2c(C)cc(C)cc2C)ccc1N1CC[NH2+]CC1 ZINC000033121299 523996839 /nfs/dbraw/zinc/99/68/39/523996839.db2.gz YKPFQSBIWCVBFJ-IBGZPJMESA-N 0 3 458.628 3.351 50 0 JGAAHN CCc1ccc(S(=O)(=O)[N-]c2ccc(N3CC[NH2+]CC3)c(C(=O)NCc3ccccc3)c2)cc1 ZINC000033121177 524016602 /nfs/dbraw/zinc/01/66/02/524016602.db2.gz PPCFQXSBSBDDTF-UHFFFAOYSA-N 0 3 478.618 3.389 50 0 JGAAHN CCc1ccc(S(=O)(=O)[N-]c2ccc(N3CC[NH2+]CC3)c(C(=O)N3CCCCCC3)c2)cc1 ZINC000033121181 524016630 /nfs/dbraw/zinc/01/66/30/524016630.db2.gz HXVQVCOKZOKFOB-UHFFFAOYSA-N 0 3 470.639 3.476 50 0 JGAAHN COc1ccc(CNC(=O)c2c(OC)cc(=O)n3c2CCN(C[C@@H]2CC=CCC2)CC3)cc1 ZINC000012283228 524065040 /nfs/dbraw/zinc/06/50/40/524065040.db2.gz AYDKDZQLAFKOMB-HXUWFJFHSA-N 0 3 451.567 3.010 50 0 JGAAHN C[C@@H](CC(=O)N1CCN(C2CCCCC2)CC1)Cc1nnc2c(=O)n(-c3cccc(F)c3)ccn12 ZINC000046005589 524357008 /nfs/dbraw/zinc/35/70/08/524357008.db2.gz ZZLQHOORDRSMBV-LJQANCHMSA-N 0 3 480.588 3.065 50 0 JGAAHN Cc1cc(C)n(CC(=O)N2CCN(CCOc3cccc(CN(C)Cc4cccs4)c3)CC2)n1 ZINC000014878982 524504293 /nfs/dbraw/zinc/50/42/93/524504293.db2.gz QXWXSMPNHXIMAO-UHFFFAOYSA-N 0 3 481.666 3.417 50 0 JGAAHN COc1ncccc1C(=O)N1CCC(CCC(=O)N[C@@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000014957670 525036212 /nfs/dbraw/zinc/03/62/12/525036212.db2.gz CSXBRPAKZOQMLZ-JOCHJYFZSA-N 0 3 450.583 3.113 50 0 JGAAHN Cc1c(CN2CCC3(CC2)C(=O)N(Cc2ccccn2)C(=O)N3CCc2ccccc2)cnn1C ZINC000014740769 525705559 /nfs/dbraw/zinc/70/55/59/525705559.db2.gz JKCWQMTWTLBVKD-UHFFFAOYSA-N 0 3 472.593 3.165 50 0 JGAAHN Cc1cc(C(=O)N2CCC([C@]3(Cc4ccccc4)NC(=O)N(CCN4CCCC4)C3=O)CC2)c(C)o1 ZINC000014989525 526239820 /nfs/dbraw/zinc/23/98/20/526239820.db2.gz FBFRVQLCDAWIJA-NDEPHWFRSA-N 0 3 492.620 3.378 50 0 JGAAHN O=C(CCC(=O)N1CCOc2ccc(Cl)cc21)NCCCN1CCN(Cc2ccccc2)CC1 ZINC000020465996 526382719 /nfs/dbraw/zinc/38/27/19/526382719.db2.gz ASFKOVZMBKIMPB-UHFFFAOYSA-N 0 3 485.028 3.170 50 0 JGAAHN Cc1nc(-c2cccc(N3C[C@@H](C(=O)NC4CCN(Cc5ccccc5)CC4)CC3=O)c2)no1 ZINC000021885050 526583627 /nfs/dbraw/zinc/58/36/27/526583627.db2.gz KMNGMWCCYFNRQL-NRFANRHFSA-N 0 3 459.550 3.179 50 0 JGAAHN O=C(CCc1nnc2c3cc(-c4ccccc4)nn3ccn12)N1CCN(C2CCCCC2)CC1 ZINC000064947050 526665558 /nfs/dbraw/zinc/66/55/58/526665558.db2.gz NQZNTGOKLLFCFB-UHFFFAOYSA-N 0 3 457.582 3.454 50 0 JGAAHN O=C(c1ccc([C@H]2Nc3ccccc3S(=O)(=O)N2)cc1)N1CCN(C2CCCCC2)CC1 ZINC000033063282 526713917 /nfs/dbraw/zinc/71/39/17/526713917.db2.gz BQICAWSNBZPQRJ-QHCPKHFHSA-N 0 3 454.596 3.180 50 0 JGAAHN Cn1c(=O)c(-c2ccc(C(=O)NC3CCN(Cc4ccccc4)CC3)cc2)nc2cccnc21 ZINC000033170369 527022315 /nfs/dbraw/zinc/02/23/15/527022315.db2.gz SZSMDSAFXOCIMC-UHFFFAOYSA-N 0 3 453.546 3.390 50 0 JGAAHN O=S(=O)(c1cccc(CN2CCN(Cc3cccc4ccccc43)CC2)c1)N1CCOCC1 ZINC000022798127 527283817 /nfs/dbraw/zinc/28/38/17/527283817.db2.gz KZJUFFAUNYFPIT-UHFFFAOYSA-N 0 3 465.619 3.179 50 0 JGAAHN Cc1ccc2c(c1)[C@H]1CN(C)CC[C@H]1N2C(=S)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000003307231 554448431 /nfs/dbraw/zinc/44/84/31/554448431.db2.gz NTUZEPGBFIFGDK-FYYLOGMGSA-N 0 3 486.663 3.021 50 0 JGAAHN CCNC(=O)N(c1ccc2c(c1)CCN2S(C)(=O)=O)C1CCN(Cc2ccccc2)CC1 ZINC000006208453 554520045 /nfs/dbraw/zinc/52/00/45/554520045.db2.gz MPGVCDUCUUUHRO-UHFFFAOYSA-N 0 3 456.612 3.209 50 0 JGAAHN CCCN(CC1CC1)[C@@H]1CC(=O)N(c2ccc(N3C(=O)C[C@H](N(CCC)CC4CC4)C3=O)cc2)C1=O ZINC000008414119 554578430 /nfs/dbraw/zinc/57/84/30/554578430.db2.gz DNQLRXCCTIPAPK-PSWAGMNNSA-N 0 3 494.636 3.194 50 0 JGAAHN O=C(CCc1ccc(S(=O)(=O)N2CCCC2)cc1)NC1CCN(Cc2ccccc2)CC1 ZINC000008744927 554648043 /nfs/dbraw/zinc/64/80/43/554648043.db2.gz AVGJNLKLBJGAAT-UHFFFAOYSA-N 0 3 455.624 3.185 50 0 JGAAHN COc1ccc2c(c1)oc1c(c2=O)[C@@H](c2cc(OC)ccc2OC)N(CCCN(C)C)C1=O ZINC000008995455 554856008 /nfs/dbraw/zinc/85/60/08/554856008.db2.gz FEXBUBADTLTLRC-JOCHJYFZSA-N 0 3 452.507 3.316 50 0 JGAAHN COC(=O)c1ccc([C@@H]2c3c(oc4cc(OC)ccc4c3=O)C(=O)N2CCCN(C)C)cc1 ZINC000009042111 554869222 /nfs/dbraw/zinc/86/92/22/554869222.db2.gz DKRZVCFNHJQLFO-OAQYLSRUSA-N 0 3 450.491 3.085 50 0 JGAAHN Cc1ccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)C2CCN(C(=O)[C@@H](N)CC(C)C)CC2)cc1 ZINC000009109837 554898055 /nfs/dbraw/zinc/89/80/55/554898055.db2.gz JEZFEJMWMMMILG-DQEYMECFSA-N 0 3 478.637 3.273 50 0 biogenic JGAAHN COC(=O)c1c2c(sc1NC(=O)c1ccc(S(=O)(=O)N(C)C)cc1)C(C)(C)NC(C)(C)C2 ZINC000009391492 555154821 /nfs/dbraw/zinc/15/48/21/555154821.db2.gz ZAHKIFCUCHRWMY-UHFFFAOYSA-N 0 3 479.624 3.197 50 0 JGAAHN CSCC[C@H](NC(=O)c1ccc2ccccc2c1)C(=O)N1CCC2(CC1)NCCc1nc[nH]c12 ZINC000009410794 555177636 /nfs/dbraw/zinc/17/76/36/555177636.db2.gz ADQFQCKUIGKLLR-QFIPXVFZSA-N 0 3 477.634 3.078 50 0 JGAAHN Cc1ccc(C(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCC3(CC2)NCCc2nc[nH]c23)cc1C ZINC000009410810 555177926 /nfs/dbraw/zinc/17/79/26/555177926.db2.gz HFNFGKQASVVPNU-DEOSSOPVSA-N 0 3 471.605 3.031 50 0 JGAAHN Cn1c2nc(SCCN3CCCCC3)n(Cc3cccc4ccccc43)c2c(=O)n(C)c1=O ZINC000009425161 555189965 /nfs/dbraw/zinc/18/99/65/555189965.db2.gz OIUWYZRPIPEFQO-UHFFFAOYSA-N 0 3 463.607 3.213 50 0 JGAAHN COc1ccc2c(c1)oc1c(c2=O)[C@@H](c2cccc(OC)c2OC)N(CCCN(C)C)C1=O ZINC000009429785 555197054 /nfs/dbraw/zinc/19/70/54/555197054.db2.gz HFPULAWDVGDOKI-OAQYLSRUSA-N 0 3 452.507 3.316 50 0 JGAAHN C[NH+](C)Cc1ccc(CNC(=O)c2ccc(NC(=O)Cc3sc(N4CCCC4)nc3[O-])cc2)cc1 ZINC000009663353 555370718 /nfs/dbraw/zinc/37/07/18/555370718.db2.gz PQTBGRPAZZIRFV-QFIPXVFZSA-N 0 3 493.633 3.101 50 0 JGAAHN COc1ccc([C@@H]2C[C@@H](C(F)(F)F)n3ncc(C(=O)N4CCN5CCC[C@@H]5C4)c3N2)cc1OC ZINC000019840864 555508552 /nfs/dbraw/zinc/50/85/52/555508552.db2.gz LRWRAZXGNVOFJN-SYNHAJSKSA-N 0 3 479.503 3.481 50 0 JGAAHN O=C(c1ccc(N2CCC(N3CCN(Cc4ccccc4)CC3)CC2)cc1)N1CCC[C@H](O)C1 ZINC000019883995 555528017 /nfs/dbraw/zinc/52/80/17/555528017.db2.gz IXBKUKKFDQUFIR-MHZLTWQESA-N 0 3 462.638 3.070 50 0 JGAAHN CCOC(=O)C1=C(CN2CCN([C@H](C)CC)CC2)NC(=O)N[C@H]1c1ccc(OC(C)C)cc1 ZINC000020214586 555710118 /nfs/dbraw/zinc/71/01/18/555710118.db2.gz WYBPONJTGFEZAI-JPYJTQIMSA-N 0 3 458.603 3.061 50 0 JGAAHN CCOC(=O)C1C(CN2CCN([C@H](C)CC)CC2)=NC(=O)N[C@H]1c1ccc(OC(C)C)cc1 ZINC000020214586 555710121 /nfs/dbraw/zinc/71/01/21/555710121.db2.gz WYBPONJTGFEZAI-JPYJTQIMSA-N 0 3 458.603 3.061 50 0 JGAAHN COc1ccc([C@@H](CNC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)N2CCCC2)cc1 ZINC000014184743 555725727 /nfs/dbraw/zinc/72/57/27/555725727.db2.gz OOORRPKCMINHIJ-HYBUGGRVSA-N 0 3 489.613 3.188 50 0 JGAAHN Cc1ccc(/C=C2/Sc3ccc(C(=O)NCCCN4CCN(C)CC4)cc3NC2=O)cc1 ZINC000020355344 555783341 /nfs/dbraw/zinc/78/33/41/555783341.db2.gz NQGUWLBXBPWJCJ-XQNSMLJCSA-N 0 3 450.608 3.448 50 0 JGAAHN O=C(c1ccc(N2CCC(N3CCN(c4ccccc4O)CC3)CC2)cc1)N1CCC[C@H](CO)C1 ZINC000011786431 555819659 /nfs/dbraw/zinc/81/96/59/555819659.db2.gz DBMMRRKHGRTKMH-QFIPXVFZSA-N 0 3 478.637 3.028 50 0 JGAAHN CCN1C(=O)N(C2Cc3ccccc3C2)C(=O)C12CCN(Cc1ccc(C(=O)OC)cc1)CC2 ZINC000014533845 555822300 /nfs/dbraw/zinc/82/23/00/555822300.db2.gz PVPQXCSQNPJQLE-UHFFFAOYSA-N 0 3 461.562 3.259 50 0 JGAAHN CC[N@@H+]1CCC[C@@H]1CNC(=O)c1cc([N-]S(=O)(=O)CC)cc2nc(-c3ccccc3)n(C)c21 ZINC000011790108 555825700 /nfs/dbraw/zinc/82/57/00/555825700.db2.gz DXJRDRBCYWGFMV-LJQANCHMSA-N 0 3 469.611 3.216 50 0 JGAAHN CC[N@H+]1CCC[C@@H]1CNC(=O)c1cc([N-]S(=O)(=O)CC)cc2nc(-c3ccccc3)n(C)c21 ZINC000011790108 555825702 /nfs/dbraw/zinc/82/57/02/555825702.db2.gz DXJRDRBCYWGFMV-LJQANCHMSA-N 0 3 469.611 3.216 50 0 JGAAHN COCCCN1C(=O)N(Cc2ccccn2)C(=O)C12CCN(Cc1cc3ccccc3[nH]1)CC2 ZINC000014543003 555834011 /nfs/dbraw/zinc/83/40/11/555834011.db2.gz CSWJFEMYYPYJBR-UHFFFAOYSA-N 0 3 461.566 3.398 50 0 JGAAHN Cc1c(CN2CCC3(CC2)C(=O)N(CCCc2cccnc2)C(=O)N3CC(C)C)cnn1C ZINC000014543256 555834353 /nfs/dbraw/zinc/83/43/53/555834353.db2.gz WGSSJGIHZUFAKJ-UHFFFAOYSA-N 0 3 452.603 3.011 50 0 JGAAHN COC(=O)c1c(OC[C@@H]2CCCCO2)cc(=O)n2c1CCN(Cc1cccc3ncccc13)CC2 ZINC000020599666 555841386 /nfs/dbraw/zinc/84/13/86/555841386.db2.gz ICCWJAWSIKFNSH-FQEVSTJZSA-N 0 3 477.561 3.189 50 0 JGAAHN CCOC(=O)N1CCC(NC(=O)[C@@H]2CC23CCN(Cc2c[nH]nc2-c2ccccc2)CC3)CC1 ZINC000014998912 555843273 /nfs/dbraw/zinc/84/32/73/555843273.db2.gz LUBWDYXAJBBMIC-QFIPXVFZSA-N 0 3 465.598 3.416 50 0 JGAAHN CC[C@]1(C2CCN(Cc3cccc(OCCO)c3)CC2)NC(=O)N(CCc2ccc(OC)cc2)C1=O ZINC000011869438 555845927 /nfs/dbraw/zinc/84/59/27/555845927.db2.gz QNTORWQKUCJKMP-MUUNZHRXSA-N 0 3 495.620 3.222 50 0 JGAAHN COc1cccc2c1OCCCN(C(=O)COc1ccc(N3CCN(C4CCCCC4)CC3)nn1)C2 ZINC000015002329 555847190 /nfs/dbraw/zinc/84/71/90/555847190.db2.gz DWKIJPZZROMCOV-UHFFFAOYSA-N 0 3 495.624 3.130 50 0 JGAAHN CN(C)CCN1C(=O)N[C@](CCc2ccccc2)(C2CCN(C(=O)c3ccccc3)CC2)C1=O ZINC000011882262 555851058 /nfs/dbraw/zinc/85/10/58/555851058.db2.gz BRVPYEFGYQSIBP-HHHXNRCGSA-N 0 3 462.594 3.024 50 0 JGAAHN Cc1cc(C)nc(S[C@@H]2C[C@@H](C(=O)N3CCCN(C)CC3)N(Cc3ccccc3C)C2)n1 ZINC000011973116 555874689 /nfs/dbraw/zinc/87/46/89/555874689.db2.gz BPHPRHWNLAUISY-PKTZIBPZSA-N 0 3 453.656 3.301 50 0 JGAAHN CO[C@H]1[C@H](NC(=O)CSC)c2ccccc2C12CCN(Cc1ccc(OCCO)cc1)CC2 ZINC000011997078 555878722 /nfs/dbraw/zinc/87/87/22/555878722.db2.gz KTEGUWPRLGZBNI-RPBOFIJWSA-N 0 3 470.635 3.140 50 0 JGAAHN O=C(NC[C@H](c1cccs1)N1CCCCCC1)c1cccc(N2C(=O)CCS2(=O)=O)c1 ZINC000011998739 555881471 /nfs/dbraw/zinc/88/14/71/555881471.db2.gz RGJIBBOHSHPWQD-LJQANCHMSA-N 0 3 461.609 3.162 50 0 JGAAHN O=C1CC[C@H](CCNCc2cc3c(cc2Cl)OCO3)N1C[C@@H](c1cccnc1)N1CCOCC1 ZINC000012040492 555893161 /nfs/dbraw/zinc/89/31/61/555893161.db2.gz GSPYCHRVUVGXAX-IRLDBZIGSA-N 0 3 487.000 3.008 50 0 JGAAHN COc1ccc(/C=C/C(=O)NCc2nnc(SCCN(C)C)n2-c2cccc(OC)c2)cc1 ZINC000012099419 555906725 /nfs/dbraw/zinc/90/67/25/555906725.db2.gz DOKVFQKGHUJUIH-JLHYYAGUSA-N 0 3 467.595 3.268 50 0 JGAAHN COCCN1C(=O)N[C@](Cc2cccc(OC)c2)(C2CCN(Cc3sccc3C)CC2)C1=O ZINC000012123704 555909610 /nfs/dbraw/zinc/90/96/10/555909610.db2.gz AMRVSLJRXKXJDH-RUZDIDTESA-N 0 3 471.623 3.457 50 0 JGAAHN O=C(CN[C@H](Cc1ccccc1)c1ccccc1)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000015487593 555911124 /nfs/dbraw/zinc/91/11/24/555911124.db2.gz IDMFNKDZTMXNOX-AREMUKBSSA-N 0 3 477.630 3.234 50 0 JGAAHN O=C(CN[C@@H](Cc1ccccc1)c1ccccc1)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000015487592 555911164 /nfs/dbraw/zinc/91/11/64/555911164.db2.gz IDMFNKDZTMXNOX-SANMLTNESA-N 0 3 477.630 3.234 50 0 JGAAHN CCn1c2ccc(S(=O)(=O)N(C)C)cc2nc1CN1CCCN(Cc2ccccc2)CC1 ZINC000022357144 555924507 /nfs/dbraw/zinc/92/45/07/555924507.db2.gz IYVMHIDBCGXAJR-UHFFFAOYSA-N 0 3 455.628 3.014 50 0 JGAAHN CCOc1cc(CN[C@@H](C)[C@@H](O)c2ccc(O)cc2)cc(Br)c1OCC(=O)N(C)C ZINC000022357831 555925231 /nfs/dbraw/zinc/92/52/31/555925231.db2.gz XLEWGYXRWTZRHZ-LHSJRXKWSA-N 0 3 481.387 3.232 50 0 JGAAHN COCCN1C(=O)N[C@](Cc2cccc(OC)c2)(C2CCN(Cc3cccc(F)c3)CC2)C1=O ZINC000012156598 555928743 /nfs/dbraw/zinc/92/87/43/555928743.db2.gz BFLCYETZGOPBJW-AREMUKBSSA-N 0 3 469.557 3.226 50 0 JGAAHN Cc1ccccc1Cn1c(N2CCN(Cc3cccc4ccccc43)CC2)nc2c1c(=O)[nH]c(=O)n2C ZINC000022409190 555929880 /nfs/dbraw/zinc/92/98/80/555929880.db2.gz YRFIWDBAEJDIAP-UHFFFAOYSA-N 0 3 494.599 3.255 50 0 JGAAHN CC[C@@H]1CN(CCC(=O)N2CCN(Cc3csc(C)n3)CC2)Cc2cc(OC)ccc2O1 ZINC000012160442 555930673 /nfs/dbraw/zinc/93/06/73/555930673.db2.gz UAHLSURFRLCIIZ-OAQYLSRUSA-N 0 3 458.628 3.168 50 0 JGAAHN COc1ccc(-c2noc(CN3CCC(C(=O)NCCN(C)Cc4ccccc4)CC3)n2)cc1OC ZINC000015726397 555964788 /nfs/dbraw/zinc/96/47/88/555964788.db2.gz DADDORRGDDLCBT-UHFFFAOYSA-N 0 3 493.608 3.214 50 0 JGAAHN CC(C)C[C@H](NC(=O)c1ccccc1)C(=O)OCC(=O)N1CCN(C23CC4CC(CC(C4)C2)C3)CC1 ZINC000012401330 555975712 /nfs/dbraw/zinc/97/57/12/555975712.db2.gz PBIJRJACBQAXKZ-JIKPSSBFSA-N 0 3 495.664 3.487 50 0 JGAAHN O=C(Cn1cnc(S(=O)(=O)N2CCc3ccccc32)c1)Nc1ccc(CN2CCCCC2)cc1 ZINC000015768014 555986512 /nfs/dbraw/zinc/98/65/12/555986512.db2.gz LILJSHRYRLMOBV-UHFFFAOYSA-N 0 3 479.606 3.259 50 0 JGAAHN CN1CCN(CCCNC(=O)C2CCN(C(=O)c3ccc(-n4ccc5ccccc54)s3)CC2)CC1 ZINC000022937367 555990699 /nfs/dbraw/zinc/99/06/99/555990699.db2.gz JTFYJVGAJGDGFG-UHFFFAOYSA-N 0 3 493.677 3.298 50 0 JGAAHN Cn1ccc2cc(S(=O)(=O)N3CCC[C@@H](C(=O)NCCCN4CCc5ccccc5C4)C3)ccc21 ZINC000015784502 556003514 /nfs/dbraw/zinc/00/35/14/556003514.db2.gz HWZXFPUYAZAJLE-XMMPIXPASA-N 0 3 494.661 3.144 50 0 JGAAHN COc1ccc(-c2nc(C[S@](=O)CC(=O)NCCCN3CCC[C@@H](C)C3)c(C)o2)cc1OC ZINC000015944306 556080498 /nfs/dbraw/zinc/08/04/98/556080498.db2.gz MZJHCVQYJBHWAM-UAIZEJDJSA-N 0 3 477.627 3.154 50 0 JGAAHN O=C(Cn1[nH]c(=O)c2ccccc2c1=O)Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1 ZINC000023908624 556100382 /nfs/dbraw/zinc/10/03/82/556100382.db2.gz CIFRQGIOSFJZFU-UHFFFAOYSA-N 0 3 469.545 3.063 50 0 JGAAHN Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccccc2CN(C)C)Cc2ccco2)cc1 ZINC000024647057 556143622 /nfs/dbraw/zinc/14/36/22/556143622.db2.gz SYMWFIRFCQGFPP-UHFFFAOYSA-N 0 3 455.580 3.157 50 0 JGAAHN CCN(CC)[C@H](CNC(=O)c1ccc(S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)cc1)c1ccccc1 ZINC000012926465 556144562 /nfs/dbraw/zinc/14/45/62/556144562.db2.gz SPAXGSRCKGPGOR-JXALWOEJSA-N 0 3 473.639 3.297 50 0 JGAAHN O=C(NC[C@H](c1cccs1)N1CCCC1)[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1 ZINC000024992590 556171253 /nfs/dbraw/zinc/17/12/53/556171253.db2.gz SMIAZYMAGLQVIZ-IAGOWNOFSA-N 0 3 453.655 3.164 50 0 JGAAHN CCc1ccc([C@H](CNC(=O)C2CCN(S(=O)(=O)c3cc(F)ccc3F)CC2)N(C)C)cc1 ZINC000013005569 556197513 /nfs/dbraw/zinc/19/75/13/556197513.db2.gz RWPNNOZQSJPJMI-QFIPXVFZSA-N 0 3 479.593 3.347 50 0 JGAAHN O=C1C2=C(C(O)n3nnc4ccccc43)N3c4ccccc4C=C[C@H]3C2C(=O)N1c1ccccc1 ZINC000017861394 556269460 /nfs/dbraw/zinc/26/94/60/556269460.db2.gz FFRCZQKRRRGOPL-NEWJYFPISA-N 0 3 461.481 3.162 50 0 JGAAHN O=C(C[C@]1(c2cccc(F)c2)CC(=O)N(Cc2cccnc2)C1=O)N1CCN(C2CCCCC2)CC1 ZINC000019742887 556365166 /nfs/dbraw/zinc/36/51/66/556365166.db2.gz KMKQPFRXPWQPNY-MUUNZHRXSA-N 0 3 492.595 3.285 50 0 JGAAHN CCN1CCN(c2ccc(NC(=O)CSc3nnc(COc4ccc(C)cc4C)n3N)cc2)CC1 ZINC000032901636 556529185 /nfs/dbraw/zinc/52/91/85/556529185.db2.gz STGYBWCFUAJDFR-UHFFFAOYSA-N 0 3 495.653 3.060 50 0 JGAAHN CC[C@H]1CCCCN1C(=O)C(C)S(=O)(=O)Cc1cc2c(cc1Br)OCCO2 ZINC000032929798 556545952 /nfs/dbraw/zinc/54/59/52/556545952.db2.gz AYLLYPMUQPBEDX-ZFWWWQNUSA-N 0 3 460.390 3.315 50 0 JGAAHN CCN(C(=O)CN[C@@H](C)c1cccc2ccccc21)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000057270799 569595364 /nfs/dbraw/zinc/59/53/64/569595364.db2.gz GUNFDUYXRBFODN-SFHVURJKSA-N 0 3 471.561 3.024 50 0 JGAAHN CCN1CCN(c2ccc(NC(=O)c3cccc(S(=O)(=O)NCc4ccco4)c3)cc2)CC1 ZINC000008723572 569599327 /nfs/dbraw/zinc/59/93/27/569599327.db2.gz HGSXKSYGUZBUCS-UHFFFAOYSA-N 0 3 468.579 3.152 50 0 JGAAHN CCOC(=O)C1C(CN2CCN(Cc3ccccc3)CC2)=NC(=O)N[C@H]1c1ccc(OCC)cc1 ZINC000057415517 569600894 /nfs/dbraw/zinc/60/08/94/569600894.db2.gz PDNVMNVOCPKNCU-VWLOTQADSA-N 0 3 478.593 3.074 50 0 JGAAHN CCc1ccccc1N1C[C@@H](C(=O)N2CCC[C@@H](CN3CCN(c4ccccn4)CC3)C2)CC1=O ZINC000058147297 569602183 /nfs/dbraw/zinc/60/21/83/569602183.db2.gz CZDSPLUJKJTKSN-UPVQGACJSA-N 0 3 475.637 3.058 50 0 JGAAHN O=C(NCCN1CCCCCC1)C1CCN(c2nc3cccnc3n(Cc3ccccc3)c2=O)CC1 ZINC000033006154 569614729 /nfs/dbraw/zinc/61/47/29/569614729.db2.gz VWNXCGYRQAIXOY-UHFFFAOYSA-N 0 3 488.636 3.048 50 0 JGAAHN Cn1c2ccccc2nc(SCC(=O)NCC2CCN(Cc3ccccc3F)CC2)c1=O ZINC000033006706 569614842 /nfs/dbraw/zinc/61/48/42/569614842.db2.gz AMFIKSNHYFCHJQ-UHFFFAOYSA-N 0 3 454.571 3.193 50 0 JGAAHN Cn1ccc(C(=O)NC[C@H]2CCC3(CCN(Cc4cnc(-c5ccccc5)s4)CC3)O2)n1 ZINC000064002171 569615965 /nfs/dbraw/zinc/61/59/65/569615965.db2.gz URXHRLCZOWJDGP-LJQANCHMSA-N 0 3 451.596 3.487 50 0 JGAAHN COc1ccc(OC)c2c1cc1n2C[C@@](C)(C(=O)NC2CCCC2)N(CCN2CCCC2)C1=O ZINC000033332131 569624721 /nfs/dbraw/zinc/62/47/21/569624721.db2.gz MYRQCONTVWSGKK-SANMLTNESA-N 0 3 468.598 3.028 50 0 JGAAHN COc1cc(NC(=O)N2CCC(CC(=O)NCCN3CCCCCC3)CC2)cc(OC)c1OC ZINC000064846829 569638952 /nfs/dbraw/zinc/63/89/52/569638952.db2.gz YQADLZKOPVESOC-UHFFFAOYSA-N 0 3 476.618 3.339 50 0 JGAAHN CCn1c2ccccc2nc(N2CCC(C(=O)NCCCN(C)Cc3ccccc3)CC2)c1=O ZINC000064873680 569641150 /nfs/dbraw/zinc/64/11/50/569641150.db2.gz CZKXNFWUCLWFNA-UHFFFAOYSA-N 0 3 461.610 3.271 50 0 JGAAHN Cc1ccc(Cn2c3ccccc3nc(N3CCC(C(=O)NCCN4CCCC4)CC3)c2=O)cc1 ZINC000064873929 569641284 /nfs/dbraw/zinc/64/12/84/569641284.db2.gz QSDHWQMRPWZJLD-UHFFFAOYSA-N 0 3 473.621 3.182 50 0 JGAAHN CC(C)COC[C@@H](O)CN1CCCN(c2ccc(NC(=O)c3ccc(F)cc3F)cn2)CC1 ZINC000034682310 569644026 /nfs/dbraw/zinc/64/40/26/569644026.db2.gz UHQHYVOBCWZVFF-FQEVSTJZSA-N 0 3 462.541 3.158 50 0 JGAAHN C[C@H](C(=O)NCCCN(C)Cc1ccccc1)C1CCN(S(=O)(=O)c2cccs2)CC1 ZINC000065061861 569655635 /nfs/dbraw/zinc/65/56/35/569655635.db2.gz JZRLEBSHEHWSMP-IBGZPJMESA-N 0 3 463.669 3.423 50 0 JGAAHN CN(C)c1nc(N2CCN(C3CCCCC3)CC2)nc2c1CN(C(=O)NCc1ccccc1)CC2 ZINC000034756614 569656595 /nfs/dbraw/zinc/65/65/95/569656595.db2.gz JXFJGRJAKGJESV-UHFFFAOYSA-N 0 3 477.657 3.265 50 0 JGAAHN O=S(=O)(c1ccc2c(c1)CCCC2)N1CCC2(CC1)NCCN=C2NCc1ccccc1F ZINC000065074800 569657441 /nfs/dbraw/zinc/65/74/41/569657441.db2.gz ODCDCMXWHDJTFL-UHFFFAOYSA-N 0 3 470.614 3.019 50 0 biogenic JGAAHN CN(C)CCN1CCN(C(=O)c2cccc(/C=C3\SC(=O)N(Cc4ccccc4F)C3=O)c2)CC1 ZINC000034761532 569657800 /nfs/dbraw/zinc/65/78/00/569657800.db2.gz DVMZKCVESDLLRK-QJOMJCCJSA-N 0 3 496.608 3.382 50 0 JGAAHN Cc1ccc2oc(=O)n(Cc3noc(C(=O)NCCN(Cc4ccco4)C4CCCC4)n3)c2c1 ZINC000065111784 569664668 /nfs/dbraw/zinc/66/46/68/569664668.db2.gz QVVANXFQGCYPEZ-UHFFFAOYSA-N 0 3 465.510 3.102 50 0 JGAAHN CCCN1C(=O)COc2cc(-c3noc(C(=O)NC4CCN(Cc5ccccc5)CC4)n3)ccc21 ZINC000065138025 569668692 /nfs/dbraw/zinc/66/86/92/569668692.db2.gz LKRPTNGQLVQYQR-UHFFFAOYSA-N 0 3 475.549 3.266 50 0 JGAAHN CN(C(=O)[C@@H]1CC(=O)N(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1)[C@H]1CCN(C)C1 ZINC000034916912 569671976 /nfs/dbraw/zinc/67/19/76/569671976.db2.gz QZYLIHNTZYPEFM-CJNGLKHVSA-N 0 3 451.411 3.235 50 0 JGAAHN O=C(NCCN1CCOCC1)C1CCN(Cc2cc3ccccc3n2Cc2cccc(F)c2)CC1 ZINC000065315001 569672723 /nfs/dbraw/zinc/67/27/23/569672723.db2.gz SOSOGQLOYADGOG-UHFFFAOYSA-N 0 3 478.612 3.489 50 0 JGAAHN COc1ccc(-c2cc3n(n2)CCC(=O)N3Cc2ccc(C(=O)NCCN3CCCC3)cc2)cc1 ZINC000035373843 569683811 /nfs/dbraw/zinc/68/38/11/569683811.db2.gz MWYPFCWJIIQAEP-UHFFFAOYSA-N 0 3 473.577 3.321 50 0 JGAAHN CN1CCN(CCCNC(=O)c2ccc(NC(=O)c3ccccn3)cc2)[C@H](c2ccccc2)C1 ZINC000071811794 569698655 /nfs/dbraw/zinc/69/86/55/569698655.db2.gz YCPXGTIXIZSLRV-VWLOTQADSA-N 0 3 457.578 3.443 50 0 JGAAHN CCCC[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)NC[C@H]1CCCN(Cc2ccccc2)C1 ZINC000072274776 569701610 /nfs/dbraw/zinc/70/16/10/569701610.db2.gz XVRWNAKRITXEIE-GGAORHGYSA-N 0 3 482.650 3.312 50 0 JGAAHN C[C@H](C(=O)NCCCN1CCN(C)CC1)C1CCN(C(=O)c2cc3cc(Cl)ccc3[nH]2)CC1 ZINC000035562077 569704670 /nfs/dbraw/zinc/70/46/70/569704670.db2.gz TUUCTFABADGWAA-SFHVURJKSA-N 0 3 474.049 3.063 50 0 JGAAHN C[C@@H](CNC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1)N1CCC(C)CC1 ZINC000078710778 569706428 /nfs/dbraw/zinc/70/64/28/569706428.db2.gz UKFHGCLSHGBIRT-FQEVSTJZSA-N 0 3 461.672 3.203 50 0 JGAAHN CN(C)CCNC(=O)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CCN(Cc3ccc(F)cc3)C[C@H]12 ZINC000035871447 569718831 /nfs/dbraw/zinc/71/88/31/569718831.db2.gz BZMVDQLVXDFWIR-FYYLOGMGSA-N 0 3 478.534 3.385 50 0 JGAAHN COc1ccc2c(c1)N1CCN(c3ccccc3Cl)C[C@@H]1[C@H](C(=O)NCCN1CCCC1)C2 ZINC000035871677 569718906 /nfs/dbraw/zinc/71/89/06/569718906.db2.gz TVTLHOIIMSDMRL-PXDATVDWSA-N 0 3 469.029 3.428 50 0 JGAAHN CCCSc1ccccc1N1CCN(CCCCn2c(=O)[nH]c3c(C)nn(CC)c3c2=O)CC1 ZINC000096027680 569732106 /nfs/dbraw/zinc/73/21/06/569732106.db2.gz VDWYYIWHBJIVLE-UHFFFAOYSA-N 0 3 484.670 3.319 50 0 JGAAHN O[C@H](c1ccccc1)[C@H](CC[C@@H](CN1CCOCC1)[C@H](O)c1ccccc1)CN1CCOCC1 ZINC000096558500 569740966 /nfs/dbraw/zinc/74/09/66/569740966.db2.gz QPIKTYCLELXBAK-JUDWXZBOSA-N 0 3 468.638 3.131 50 0 JGAAHN COc1ccccc1N1C(=O)C2[C@H](C1=O)[C@H](c1ccc(F)cc1)NN2C(=O)c1ccc(C)cc1 ZINC000100807370 569770503 /nfs/dbraw/zinc/77/05/03/569770503.db2.gz YRNNIFRCYLSLLR-VJBWXMMDSA-N 0 3 459.477 3.403 50 0 JGAAHN CCC[C@@H]1[C@@H]2C(=O)N(c3sc(C(=O)OCC)c(C)c3C(=O)OC)C(=O)C2ON1c1ccccc1 ZINC000101075307 569781605 /nfs/dbraw/zinc/78/16/05/569781605.db2.gz BZRJBFDWPMQDDN-NJAFHUGGSA-N 0 3 486.546 3.498 50 0 JGAAHN CN(C)CCN1CCN(c2nc3nn(-c4cccc(F)c4)c(N)c3c(-c3cccc(F)c3)n2)CC1 ZINC000037361190 569784211 /nfs/dbraw/zinc/78/42/11/569784211.db2.gz SXIMXUOBZDIBDJ-UHFFFAOYSA-N 0 3 478.551 3.027 50 0 JGAAHN O=C(NCCN1CCCCC1)c1ccccc1N1CCC(NC(=O)c2cccc(F)c2)CC1 ZINC000037524774 569793226 /nfs/dbraw/zinc/79/32/26/569793226.db2.gz ZUEOOUOXWJLXEP-UHFFFAOYSA-N 0 3 452.574 3.440 50 0 JGAAHN COC(=O)C1=C(C)N=C2SC=C(CC(=O)NCCN3CCCCC3)N2[C@@H]1c1ccccc1 ZINC000102746848 569820103 /nfs/dbraw/zinc/82/01/03/569820103.db2.gz RUECSWXKDUBZLE-JOCHJYFZSA-N 0 3 454.596 3.427 50 0 JGAAHN O=C(C1CC1)N1CCc2cc(Br)c(S(=O)(=O)NCCCN3CCCCCC3)cc21 ZINC000040450532 569828493 /nfs/dbraw/zinc/82/84/93/569828493.db2.gz YEHAPCDUELDCTI-UHFFFAOYSA-N 0 3 484.460 3.293 50 0 JGAAHN CC(C)NC(=O)NCc1ccc(C(=O)NCCCN2CCN(C)C[C@H]2c2ccccc2)cc1 ZINC000105721728 569853419 /nfs/dbraw/zinc/85/34/19/569853419.db2.gz IPGCRMFVLIWUQA-DEOSSOPVSA-N 0 3 451.615 3.003 50 0 JGAAHN Cc1ccc(CN2CC[C@H](CNC(=O)[C@H](C)n3c4ccccc4c4cnn(C)c(=O)c43)C2)cc1 ZINC000106409231 569854179 /nfs/dbraw/zinc/85/41/79/569854179.db2.gz ZXLKDSLNKQYNDW-PZJWPPBQSA-N 0 3 457.578 3.396 50 0 JGAAHN CC(C)(C)OC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1C(=O)[C@@H](NC(=O)[C@@H](N)C1CCCCC1)C(C)(C)C ZINC000118652139 569862830 /nfs/dbraw/zinc/86/28/30/569862830.db2.gz LLEPKFITUHEOIF-CRSSMBPESA-N 0 3 463.663 3.394 50 0 JGAAHN COc1ccc2c(c1)N1CCN(c3ccccc3Cl)C[C@@H]1[C@@H](C(=O)NCCN1CCCC1)C2 ZINC000169678887 569869259 /nfs/dbraw/zinc/86/92/59/569869259.db2.gz TVTLHOIIMSDMRL-SQJMNOBHSA-N 0 3 469.029 3.428 50 0 JGAAHN O=C(c1ccccc1)C1c2c(O)n(-c3ccccc3)c(O)c2[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@H]12 ZINC000239274826 570049934 /nfs/dbraw/zinc/04/99/34/570049934.db2.gz ASOFGXIWESKJEW-HPCSZIQYSA-N 0 3 464.477 3.111 50 0 JGAAHN O=C(c1cc2n(n1)CCCO2)N1CCC(N2CCN(c3cccc(C(F)(F)F)c3)CC2)CC1 ZINC000244998645 570054541 /nfs/dbraw/zinc/05/45/41/570054541.db2.gz KNRSVFJVGHIGBB-UHFFFAOYSA-N 0 3 463.504 3.111 50 0 JGAAHN COC[C@@H](O)CN(CC(=O)N1CCc2sccc2[C@H]1COc1ccc(F)cc1)CC1CC1 ZINC000245280416 570061974 /nfs/dbraw/zinc/06/19/74/570061974.db2.gz PKTKNLFWHFAWPZ-SIKLNZKXSA-N 0 3 462.587 3.111 50 0 JGAAHN Cc1[nH]c(C(=O)N2CCC[C@@H](C(=O)NCCN3CCCC[C@H]3C)C2)c(C)c1C(=O)OC(C)C ZINC000245330314 570066519 /nfs/dbraw/zinc/06/65/19/570066519.db2.gz XPKYBQZPVYIRKZ-YLJYHZDGSA-N 0 3 460.619 3.040 50 0 JGAAHN Cc1ccc(N2C(=O)C3=C(C(O)n4nnc5ccccc54)N4c5ccccc5C=C[C@@H]4C3C2=O)cc1 ZINC000248122671 570074726 /nfs/dbraw/zinc/07/47/26/570074726.db2.gz SMELYNXPSTVKQP-WSOYEBOPSA-N 0 3 475.508 3.470 50 0 JGAAHN C[C@@H]1CCC[C@@H](C)N1CCNC(=O)[C@H]1[C@H]2C(=O)N(Cc3ccccc3Cl)C[C@@]23C=C[C@@H]1O3 ZINC000252584579 570083591 /nfs/dbraw/zinc/08/35/91/570083591.db2.gz BGRSGIWVTLNASZ-LQAXMDDOSA-N 0 3 458.002 3.001 50 0 JGAAHN COc1ccc(OC)c2nc(N3CCOCC3)c(CNC[C@@H]3COc4ccccc4O3)cc12 ZINC000299800988 570177516 /nfs/dbraw/zinc/17/75/16/570177516.db2.gz WUJLVAQDWMFUAX-GOSISDBHSA-N 0 3 451.523 3.018 50 0 JGAAHN CC[C@@H](C)NC(=O)CSC1=Nc2ccccc2C2=NC(CC(=O)NCc3cccs3)C(=O)N21 ZINC000002967736 194185291 /nfs/dbraw/zinc/18/52/91/194185291.db2.gz WMQCMYRJCMDABZ-KDOFPFPSSA-N 0 3 483.619 3.061 50 0 JGAAHN COc1cc(N)c(Cl)cc1C(=O)N[C@H]1CCN(CCCOc2ccc(F)cc2)C[C@@H]1OC ZINC000003830564 194361811 /nfs/dbraw/zinc/36/18/11/194361811.db2.gz DCSUBABJRXZOMT-UNMCSNQZSA-N 0 3 465.953 3.358 50 0 world JGAAHN COc1cc(C(=O)N2CCN(C3CCN(Cc4ccccc4)CC3)CC2)cc(OC)c1OC ZINC000008455782 194453720 /nfs/dbraw/zinc/45/37/20/194453720.db2.gz LZEZFEVVKFPODH-UHFFFAOYSA-N 0 3 453.583 3.135 50 0 JGAAHN CN(C)Cc1ccc(CNC(=O)c2cccc(S(=O)(=O)N3CCc4ccccc4C3)c2)cc1 ZINC000009663343 194860412 /nfs/dbraw/zinc/86/04/12/194860412.db2.gz JMEOWYRVRYCOMZ-UHFFFAOYSA-N 0 3 463.603 3.425 50 0 JGAAHN COc1cc(CN2CCC[C@H](C(=O)N3CCN(c4ccccc4)CC3)C2)cc(OC)c1OC ZINC000009933446 195025204 /nfs/dbraw/zinc/02/52/04/195025204.db2.gz QPZVFGVBNYSKDW-NRFANRHFSA-N 0 3 453.583 3.273 50 0 JGAAHN O=C(c1ccc(Cl)c(NC2=N[C@H]3CS(=O)(=O)C[C@@H]3S2)c1)N1CCN(C2CCCCC2)CC1 ZINC000020618044 195189882 /nfs/dbraw/zinc/18/98/82/195189882.db2.gz URLPAZHPEPACMM-PMACEKPBSA-N 0 3 497.086 3.111 50 0 JGAAHN Cc1c(C(=O)N2CCC([C@@H](C)N3CCOCC3)CC2)cnn1-c1nccc(-c2ccccc2F)n1 ZINC000020996854 195265038 /nfs/dbraw/zinc/26/50/38/195265038.db2.gz HWZPHRSCUQJEHK-GOSISDBHSA-N 0 3 478.572 3.350 50 0 JGAAHN CC(C)[C@@H](NS(=O)(=O)c1cccs1)C(=O)NCCN1CCC(Cc2ccccc2)CC1 ZINC000021052394 195272942 /nfs/dbraw/zinc/27/29/42/195272942.db2.gz YYRPQSPTMVCPFG-JOCHJYFZSA-N 0 3 463.669 3.122 50 0 JGAAHN CC[C@H](CN(C)Cc1ccccc1)NC(=O)Cn1c2ccccc2n(Cc2ccccc2)c(=O)c1=O ZINC000021944460 195340377 /nfs/dbraw/zinc/34/03/77/195340377.db2.gz PJSOMXLWFSRKEM-XMMPIXPASA-N 0 3 484.600 3.238 50 0 JGAAHN CC(C)[C@@H](NC(=O)c1ccccc1F)C(=O)Nc1cc(C(=O)NCCN(C)C)ccc1Cl ZINC000058154288 195367180 /nfs/dbraw/zinc/36/71/80/195367180.db2.gz SHQSJMZRFXFJTD-HXUWFJFHSA-N 0 3 462.953 3.164 50 0 JGAAHN COc1cccc(N2CCN(C[C@@H]3C(=O)O[C@@H]4C[C@@]5(C)CCC[C@@](C)(OC)[C@@]5(O)C[C@@H]43)CC2)c1 ZINC000059415062 195399430 /nfs/dbraw/zinc/39/94/30/195399430.db2.gz HWGAGESRKNXOOM-UTQXLDHZSA-N 0 3 472.626 3.095 50 0 biogenic JGAAHN CC(=O)C1[C@@H](c2cn(-c3ccccc3)nc2-c2cccs2)NC(=O)N[C@]1(O)C(F)(F)F ZINC000004436364 518209779 /nfs/dbraw/zinc/20/97/79/518209779.db2.gz AYGNXWODYGPIQA-SZVBFZGTSA-N 0 3 450.442 3.411 50 0 JGAAHN CC(C)CN1C(=O)c2ccccc2[C@@H](C(=O)NCCCN2CCN(C)CC2)[C@@H]1c1cccs1 ZINC000020508381 519719776 /nfs/dbraw/zinc/71/97/76/519719776.db2.gz FVSSZORXGNLFCA-RPWUZVMVSA-N 0 3 468.667 3.439 50 0 JGAAHN CC(C)CNC(=O)c1cc([N-]S(=O)(=O)c2ccc3c(c2)CCCC3)ccc1N1CC[NH2+]CC1 ZINC000033121119 519741566 /nfs/dbraw/zinc/74/15/66/519741566.db2.gz YYGKMHXHJQSBLO-UHFFFAOYSA-N 0 3 470.639 3.162 50 0 JGAAHN CC(C)[C@H](NS(C)(=O)=O)c1nnc2n1CCN(Cc1ccc3c(c1)Cc1ccccc1-3)CC2 ZINC000014882810 519821344 /nfs/dbraw/zinc/82/13/44/519821344.db2.gz XFGUVZLDYNYSEW-DEOSSOPVSA-N 0 3 465.623 3.154 50 0 JGAAHN CCCN1CCN(CCCNC(=O)c2ccc(C[S@@](=O)c3ccc(Br)cc3)o2)CC1 ZINC000020514794 519858042 /nfs/dbraw/zinc/85/80/42/519858042.db2.gz SGCJFOODHSFUPQ-PMERELPUSA-N 0 3 496.471 3.497 50 0 JGAAHN CCCCCN(CC(=O)N(CC)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O)[C@H](C)CCC ZINC000048341086 520155034 /nfs/dbraw/zinc/15/50/34/520155034.db2.gz QSLNMPYHVSWYPD-LJQANCHMSA-N 0 3 457.619 3.201 50 0 JGAAHN CCOc1cc(CNCCNC(=O)c2nonc2N)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000016688461 520713902 /nfs/dbraw/zinc/71/39/02/520713902.db2.gz LZCSFBXGPQGZFL-UHFFFAOYSA-N 0 3 480.352 3.456 50 0 JGAAHN CCN(CC)[C@@H](CNC(=O)[C@H]1CCCN(S(=O)(=O)c2cccs2)C1)c1cccc(OC)c1 ZINC000022700785 520838281 /nfs/dbraw/zinc/83/82/81/520838281.db2.gz ADVPSWBTWCBYAO-FPOVZHCZSA-N 0 3 479.668 3.357 50 0 JGAAHN CC1=NN(c2ccc(Cl)cc2)C(=O)[C@]12Cc1ccc(Cl)cc1N1CCN(CCO)C[C@@H]12 ZINC000033429018 520894932 /nfs/dbraw/zinc/89/49/32/520894932.db2.gz IURWXMLRTACEJY-FYYLOGMGSA-N 0 3 459.377 3.442 50 0 JGAAHN CCC[C@@]1(C2CCN(C(=O)c3cccc(N(C)C)c3)CC2)NC(=O)N(CC[C@@H]2CCCN2C)C1=O ZINC000014879938 520956872 /nfs/dbraw/zinc/95/68/72/520956872.db2.gz VZBVQJXQHNSQQQ-CUNXSJBXSA-N 0 3 483.657 3.180 50 0 JGAAHN CCOc1ccc(CN2CCC([C@]3(c4ccccn4)NC(=O)N(C[C@@H]4CCCO4)C3=O)CC2)cc1 ZINC000012244324 520970309 /nfs/dbraw/zinc/97/03/09/520970309.db2.gz MXOLCMRCGIXLGS-WNCULLNHSA-N 0 3 478.593 3.319 50 0 JGAAHN CCOc1cnn(-c2ccc(Cl)cc2)c(=O)c1Nc1cccc(C(=O)NCCN(C)C)c1 ZINC000036063704 521599711 /nfs/dbraw/zinc/59/97/11/521599711.db2.gz FQCNXKZJGZYBDM-UHFFFAOYSA-N 0 3 455.946 3.320 50 0 JGAAHN CCN1CCC[C@H]1CNC(=O)CCC(=O)N1CCCn2nc(-c3cn(C)c4ccccc34)cc21 ZINC000021533142 521654533 /nfs/dbraw/zinc/65/45/33/521654533.db2.gz VMJBWLAMWJDJGE-IBGZPJMESA-N 0 3 462.598 3.159 50 0 JGAAHN CCN1CCN(CCCNC(=O)c2ccc3ccnc(N4CCN(c5ccccc5)CC4)c3c2)CC1 ZINC000065002511 521681544 /nfs/dbraw/zinc/68/15/44/521681544.db2.gz FIECHECEGQRGPS-UHFFFAOYSA-N 0 3 486.664 3.319 50 0 JGAAHN CCN1CCN(CCNC(=O)c2ccc(NC(=O)N3CCSc4nc(C)cc(C)c43)cc2)CC1 ZINC000021880358 521684151 /nfs/dbraw/zinc/68/41/51/521684151.db2.gz SOKYLJJTQAUZDK-UHFFFAOYSA-N 0 3 482.654 3.210 50 0 JGAAHN CCN1CCN(Cc2ccc(NC(=O)CCc3nnc(C(=O)Nc4ccccc4)s3)cc2)CC1 ZINC000033061779 521687822 /nfs/dbraw/zinc/68/78/22/521687822.db2.gz QWLISLCWKRKBFF-UHFFFAOYSA-N 0 3 478.622 3.499 50 0 JGAAHN CN(C)CCN1C(=O)N[C@@](CCc2ccccc2)(C2CCN(C(=O)c3cc(F)ccc3F)CC2)C1=O ZINC000014962803 521758615 /nfs/dbraw/zinc/75/86/15/521758615.db2.gz OLLZJGJOXRASOZ-MHZLTWQESA-N 0 3 498.574 3.302 50 0 JGAAHN CN(C)CCN1C(=O)N[C@@](CCc2ccccc2)(C2CCN(C(=O)c3cccc(F)c3)CC2)C1=O ZINC000012244338 521758986 /nfs/dbraw/zinc/75/89/86/521758986.db2.gz KRRUQUQYNNYUJN-MHZLTWQESA-N 0 3 480.584 3.163 50 0 JGAAHN CC[C@H](CN(C)Cc1ccccc1)NC(=O)C1CCN(c2nc3cccnc3n(CC)c2=O)CC1 ZINC000033258989 522167361 /nfs/dbraw/zinc/16/73/61/522167361.db2.gz HONLQLZCPHHKHW-JOCHJYFZSA-N 0 3 476.625 3.055 50 0 JGAAHN COC[C@@H](C)N1CCC2(CC1)C(=O)N(CCCc1cccnc1)C(=O)N2Cc1ccccc1 ZINC000014753795 522222308 /nfs/dbraw/zinc/22/23/08/522222308.db2.gz ANYCPBWVEOSTOK-OAQYLSRUSA-N 0 3 450.583 3.348 50 0 JGAAHN COCCCN(Cc1c(-c2ccccc2)noc1N1CCOCC1)C[C@H](O)COCC(C)C ZINC000036150975 523264469 /nfs/dbraw/zinc/26/44/69/523264469.db2.gz RWYRMKZTCKJXOZ-QFIPXVFZSA-N 0 3 461.603 3.050 50 0 JGAAHN COCCN1C(=O)N(Cc2cccc(OC)c2)C(=O)C12CCN(Cc1ccc3nsnc3c1)CC2 ZINC000014733695 523801719 /nfs/dbraw/zinc/80/17/19/523801719.db2.gz MACPSAHFGZOHGD-UHFFFAOYSA-N 0 3 495.605 3.145 50 0 JGAAHN COCCN1C(=O)N(Cc2cccnc2)C(=O)C12CCN(C/C=C/c1ccc(OC)cc1)CC2 ZINC000014753909 523804537 /nfs/dbraw/zinc/80/45/37/523804537.db2.gz VWQFDZIZEYSFPK-GQCTYLIASA-N 0 3 464.566 3.049 50 0 JGAAHN COCCN1C(=O)N[C@@](Cc2cccc(OC)c2)(C2CCN(Cc3ccccc3OC)CC2)C1=O ZINC000014995457 523805459 /nfs/dbraw/zinc/80/54/59/523805459.db2.gz FBKMIHOQWWKVMY-MHZLTWQESA-N 0 3 481.593 3.096 50 0 JGAAHN CCc1ccc(-c2cc3n(n2)C[C@](C)(C(=O)NC2CCCCC2)N(CCN(C)C)C3=O)cc1 ZINC000021852954 523855840 /nfs/dbraw/zinc/85/58/40/523855840.db2.gz SRJXSQMHVAJPEE-AREMUKBSSA-N 0 3 451.615 3.338 50 0 JGAAHN COc1ccc(CN2CCC3(CC2)C(=O)N(Cc2cccnc2)C(=O)N3C)c(Cl)c1OC ZINC000014753677 524025460 /nfs/dbraw/zinc/02/54/60/524025460.db2.gz VUDYTOZFAATWJK-UHFFFAOYSA-N 0 3 458.946 3.181 50 0 JGAAHN CCc1ccc([C@@H](CNC(=O)c2ccc(S(=O)(=O)NCc3ccco3)cc2)N(C)C)cc1 ZINC000018017160 524029910 /nfs/dbraw/zinc/02/99/10/524029910.db2.gz ZGMNVWTZBOTZHX-HSZRJFAPSA-N 0 3 455.580 3.353 50 0 JGAAHN C[C@@H](C(=O)NCCN1CCCCC1)N1C(=O)COc2ccc(C(=O)COc3ccc(Cl)cc3)cc21 ZINC000037511306 524186078 /nfs/dbraw/zinc/18/60/78/524186078.db2.gz OZYAWZSILIFJMH-SFHVURJKSA-N 0 3 499.995 3.318 50 0 JGAAHN COc1ccccc1NC(=O)N(C)CCc1noc(-c2ccc(C(=O)NCCN3CCCC3)cc2)n1 ZINC000033277928 524609292 /nfs/dbraw/zinc/60/92/92/524609292.db2.gz HYGHKXUSJOFNIY-UHFFFAOYSA-N 0 3 492.580 3.277 50 0 JGAAHN Cc1cc(CN2CCN(CC(=O)Nc3ccc(N4CCN(Cc5ccccc5)CC4)cc3)CC2)no1 ZINC000022800883 524694402 /nfs/dbraw/zinc/69/44/02/524694402.db2.gz KXVPMVJTLAYHCD-UHFFFAOYSA-N 0 3 488.636 3.062 50 0 JGAAHN Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1CNC[C@H](c1cccs1)N1CCC(C)CC1 ZINC000022810659 526307002 /nfs/dbraw/zinc/30/70/02/526307002.db2.gz LMEHFQWKCDMTKC-PZJWPPBQSA-N 0 3 450.674 3.484 50 0 JGAAHN O=C(NCCN1CCCCC1)[C@@H](C1CCCC1)N1CCN(C(=O)c2ccccc2Cl)CC1 ZINC000036254992 526308485 /nfs/dbraw/zinc/30/84/85/526308485.db2.gz NSRSHNHTMOJAQN-HSZRJFAPSA-N 0 3 461.050 3.259 50 0 JGAAHN Cc1noc(/C=C/c2ccc(C)cc2)c1S(=O)(=O)N1CCC(C(=O)NCCN2CCCC2)CC1 ZINC000033058825 526458110 /nfs/dbraw/zinc/45/81/10/526458110.db2.gz QNYHXXYEZXOLFB-MDZDMXLPSA-N 0 3 486.638 3.075 50 0 JGAAHN Cc1noc(C)c1S(=O)(=O)N1CCC([C@H](C)C(=O)NC2CCN(Cc3ccccc3)CC2)CC1 ZINC000035459695 526548673 /nfs/dbraw/zinc/54/86/73/526548673.db2.gz CMKZFWQMCRJMGK-SFHVURJKSA-N 0 3 488.654 3.109 50 0 JGAAHN Cc1nonc1C(=O)N1CCc2c(cc(-c3cccc(F)c3)c(=O)n2CCN2CCCCC2)C1 ZINC000014744153 526701845 /nfs/dbraw/zinc/70/18/45/526701845.db2.gz FIJCDDVGSSKAQE-UHFFFAOYSA-N 0 3 465.529 3.030 50 0 JGAAHN O=C1CC[C@H](CCNCc2cc3c(cc2Cl)OCO3)N1C[C@@H](c1ccccn1)N1CCOCC1 ZINC000014991002 526993629 /nfs/dbraw/zinc/99/36/29/526993629.db2.gz XOVLKNVAVZYNPJ-KNQAVFIVSA-N 0 3 487.000 3.008 50 0 JGAAHN O=C1N[C@@H](COCc2ccccc2)C(=O)N2C[C@@H](NCc3sc4ccccc4c3Cl)C[C@@H]12 ZINC000014733054 527083108 /nfs/dbraw/zinc/08/31/08/527083108.db2.gz YVSBMNVFEKUAIA-WDSOQIARSA-N 0 3 469.994 3.329 50 0 JGAAHN O=C(NC1CCN(Cc2ccccc2)CC1)c1ccc([C@H]2Nc3ccccc3S(=O)(=O)N2)cc1 ZINC000033063211 527531633 /nfs/dbraw/zinc/53/16/33/527531633.db2.gz PGPDZHNXFOEDLE-VWLOTQADSA-N 0 3 476.602 3.484 50 0 JGAAHN Cn1nc(C(=O)N2CCSCC2)c2c1CC[C@@H](NCc1cc(C(F)(F)F)ccc1F)C2 ZINC000014752681 527542055 /nfs/dbraw/zinc/54/20/55/527542055.db2.gz IMPKCVVJGSAUIE-OAHLLOKOSA-N 0 3 456.509 3.414 50 0 JGAAHN CSc1nc2c(sc3nc(N4CCOCC4)c4c(c32)CC(C)(C)OC4)c(N2CCNCC2)n1 ZINC000002441463 554210065 /nfs/dbraw/zinc/21/00/65/554210065.db2.gz RRSZPWZYVAFDTN-UHFFFAOYSA-N 0 3 486.667 3.059 50 0 JGAAHN COc1cc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCCN(C)C)cc(OC)c1OC ZINC000002500598 554229246 /nfs/dbraw/zinc/22/92/46/554229246.db2.gz KPXZIAPGFMPLKI-OAQYLSRUSA-N 0 3 452.507 3.316 50 0 JGAAHN CCN1CCC[C@@H]1CNC(=O)[C@H]1c2ccccc2C(=O)N(CCOC)[C@@H]1c1ccc(F)cc1 ZINC000003657514 554469366 /nfs/dbraw/zinc/46/93/66/554469366.db2.gz CSYWLVQAURXLAK-FGCOXFRFSA-N 0 3 453.558 3.353 50 0 JGAAHN COc1cc(CNCCSc2nnnn2-c2ccccc2)cc(Br)c1OC ZINC000008768143 554668612 /nfs/dbraw/zinc/66/86/12/554668612.db2.gz KUJIXLDUVZDHPU-UHFFFAOYSA-N 0 3 450.362 3.324 50 0 JGAAHN CCN1CCC[C@H]1CNC(=O)Cn1ncc2c3ccccc3n(Cc3ccc(F)cc3)c2c1=O ZINC000008933377 554827383 /nfs/dbraw/zinc/82/73/83/554827383.db2.gz OENRPKFXRXKVOP-FQEVSTJZSA-N 0 3 461.541 3.139 50 0 JGAAHN COc1ccc(-c2c[nH]nc2-c2ccc(OCCN3CCC(C(N)=O)CC3)c(C)c2O)cc1 ZINC000009410860 555177851 /nfs/dbraw/zinc/17/78/51/555177851.db2.gz LDGANKADQXYCPD-UHFFFAOYSA-N 0 3 450.539 3.342 50 0 JGAAHN CCn1c2nnc(CCCC(=O)NC3CCN(Cc4ccccc4)CC3)n2c2ccsc2c1=O ZINC000009431387 555200200 /nfs/dbraw/zinc/20/02/00/555200200.db2.gz RCQWOQOUSYNNHG-UHFFFAOYSA-N 0 3 478.622 3.229 50 0 JGAAHN CC(C)[C@H](NS(=O)(=O)c1cccs1)C(=O)NCC1CCN(Cc2ccccc2F)CC1 ZINC000009528485 555322554 /nfs/dbraw/zinc/32/25/54/555322554.db2.gz UPUFGRSQSBXGEL-NRFANRHFSA-N 0 3 467.632 3.219 50 0 JGAAHN C[NH+](C)C1(CNC(=O)c2ccc(NC(=O)Cc3sc(N4CCCC4)nc3[O-])cc2)CCCCC1 ZINC000009535141 555329221 /nfs/dbraw/zinc/32/92/21/555329221.db2.gz WHBWWJHQYWKDQG-FQEVSTJZSA-N 0 3 485.654 3.103 50 0 JGAAHN C=C1C(N2CCC(C(=O)NCCN3CCCC[C@@H]3C)CC2)=NS(=O)(=O)C1c1ccc(C)c(C)c1 ZINC000009641849 555353098 /nfs/dbraw/zinc/35/30/98/555353098.db2.gz NXQPBYQNXDJKDG-FQEVSTJZSA-N 0 3 486.682 3.479 50 0 JGAAHN CCN1CCN(c2ccc(NC(=O)CCNS(=O)(=O)c3ccc(C(C)C)cc3)cc2)CC1 ZINC000009613764 555449823 /nfs/dbraw/zinc/44/98/23/555449823.db2.gz GYTFUNFEFCWQQN-UHFFFAOYSA-N 0 3 458.628 3.259 50 0 JGAAHN C[C@]1(CSc2ccccc2C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)NC(=O)[N-]C1=O ZINC000009614007 555450155 /nfs/dbraw/zinc/45/01/55/555450155.db2.gz QNZRKNWQXXLUDC-RUZDIDTESA-N 0 3 466.607 3.293 50 0 JGAAHN Cc1ccc(CN2CC[C@H](CNC(=O)CCc3nnc4ccc(NCc5ccco5)nn43)C2)cc1 ZINC000009744732 555476311 /nfs/dbraw/zinc/47/63/11/555476311.db2.gz DOCHTHMFBSCREH-OAQYLSRUSA-N 0 3 473.581 3.209 50 0 JGAAHN CCN(CC)CCn1c(=O)nc(SCC(=O)Nc2ccc(C(C)=O)cc2)c2c1CCCC2 ZINC000009747076 555478917 /nfs/dbraw/zinc/47/89/17/555478917.db2.gz JCJCLCFCGMSICU-UHFFFAOYSA-N 0 3 456.612 3.397 50 0 JGAAHN COC(=O)CC[C@H]1CN(Cc2ccc(O)cc2)CC[C@H]1N1CCN(c2ccccc2F)CC1 ZINC000020137207 555660994 /nfs/dbraw/zinc/66/09/94/555660994.db2.gz WHIJDWJAUXFWBN-XUZZJYLKSA-N 0 3 455.574 3.497 50 0 JGAAHN CCCN1CCN(CCCNC(=O)c2cn(CC(C)C)c(=O)c3c2c2ccccc2n3C)CC1 ZINC000020138828 555662159 /nfs/dbraw/zinc/66/21/59/555662159.db2.gz DSEPVYAKQHRCJF-UHFFFAOYSA-N 0 3 465.642 3.297 50 0 JGAAHN CCN1CCN(CCNC(=O)c2cc(Nc3ccc(OC)cc3OC)nc3ccccc32)CC1 ZINC000020212250 555705701 /nfs/dbraw/zinc/70/57/01/555705701.db2.gz HMMYXTGIKOKBOF-UHFFFAOYSA-N 0 3 463.582 3.363 50 0 JGAAHN O=C(NC[C@@H](c1ccccc1)N1CCCC1)C1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1 ZINC000014198706 555730475 /nfs/dbraw/zinc/73/04/75/555730475.db2.gz AJVGVOULPAVIDT-IBGZPJMESA-N 0 3 487.530 3.313 50 0 JGAAHN CCCN1CCN(CCCNC(=O)c2ccc(NC(=O)N3CCSc4ncccc43)cc2)CC1 ZINC000020565103 555819890 /nfs/dbraw/zinc/81/98/90/555819890.db2.gz RBHKDDJCFFSDFA-UHFFFAOYSA-N 0 3 482.654 3.373 50 0 JGAAHN CCCn1nc(C(=O)N2CCN(C)CC2)c2c1CC[C@H](NCc1ccccc1C(F)(F)F)C2 ZINC000014537175 555826465 /nfs/dbraw/zinc/82/64/65/555826465.db2.gz CERBYGUTVTZEIX-SFHVURJKSA-N 0 3 463.548 3.347 50 0 JGAAHN O=C(Nc1ccc2c(c1)CCC2)[C@@H]1C[C@H](C(=O)NC[C@H]2CCCO2)CN(Cc2ccc(O)cc2)C1 ZINC000014538416 555827935 /nfs/dbraw/zinc/82/79/35/555827935.db2.gz OMRPFOHTJMJJPS-PPJWLVRDSA-N 0 3 477.605 3.253 50 0 JGAAHN COCCCN1C(=O)N(Cc2ccc(OC)cc2)C(=O)C12CCN(Cc1ccc(O)c(OC)c1)CC2 ZINC000014538919 555828582 /nfs/dbraw/zinc/82/85/82/555828582.db2.gz INRVDWYXTUXPMO-UHFFFAOYSA-N 0 3 497.592 3.245 50 0 JGAAHN COCCN1C(=O)N(CCc2ccccc2)C2(CCN(Cc3ccc(OC)cc3)CC2)C1=O ZINC000014540130 555830465 /nfs/dbraw/zinc/83/04/65/555830465.db2.gz NKAGOJOVYZPDFG-UHFFFAOYSA-N 0 3 451.567 3.183 50 0 JGAAHN COC(=O)c1c(OC[C@H]2CCCCO2)cc(=O)n2c1CCN(Cc1cccc3ncccc13)CC2 ZINC000020599667 555841308 /nfs/dbraw/zinc/84/13/08/555841308.db2.gz ICCWJAWSIKFNSH-HXUWFJFHSA-N 0 3 477.561 3.189 50 0 JGAAHN Cn1cc(Cn2cnc3sc4c(c3c2=O)CC[C@H](NCc2cc(F)c(F)c(F)c2)C4)cn1 ZINC000015003659 555848640 /nfs/dbraw/zinc/84/86/40/555848640.db2.gz MOVWHJTUEYZYPT-AWEZNQCLSA-N 0 3 459.497 3.304 50 0 JGAAHN COc1ccc(CN2CCc3nnc([C@H](C)NC(=O)C4CCOCC4)n3CC2)c2ccccc12 ZINC000011881177 555849318 /nfs/dbraw/zinc/84/93/18/555849318.db2.gz RZBOWNHPCCNIHU-SFHVURJKSA-N 0 3 463.582 3.102 50 0 JGAAHN Cc1ccc([C@@H](CNC(=O)c2cccc(N3C(=O)CCS3(=O)=O)c2)N2CCCCCC2)cc1 ZINC000011998715 555881447 /nfs/dbraw/zinc/88/14/47/555881447.db2.gz OXFAREWJKXWRDU-HSZRJFAPSA-N 0 3 469.607 3.409 50 0 JGAAHN COc1ccc([C@@H](CNC(=O)C2CCN(S(=O)(=O)c3ccc(C)cc3C)CC2)N(C)C)cc1 ZINC000015387784 555901951 /nfs/dbraw/zinc/90/19/51/555901951.db2.gz YEZMKIJMPBXJQE-HSZRJFAPSA-N 0 3 473.639 3.132 50 0 JGAAHN COc1ccc2c(c1)-c1nc(-n3ncc(C(=O)NC[C@H]4CCCN(C)C4)c3C3CC3)ncc1CC2 ZINC000012125566 555910248 /nfs/dbraw/zinc/91/02/48/555910248.db2.gz IHEBWKWZFYVGGW-QGZVFWFLSA-N 0 3 472.593 3.386 50 0 JGAAHN CCOc1cc(CN[C@H](C)[C@H](O)c2ccc(O)cc2)cc(Br)c1OCC(=O)N(C)C ZINC000022357837 555925086 /nfs/dbraw/zinc/92/50/86/555925086.db2.gz XLEWGYXRWTZRHZ-SZNDQCEHSA-N 0 3 481.387 3.232 50 0 JGAAHN Cc1ccc(C(=O)NCCc2nnc3n2CCN(C[C@H](C)Cc2ccc4c(c2)OCO4)CC3)cc1 ZINC000012155989 555928348 /nfs/dbraw/zinc/92/83/48/555928348.db2.gz CRYNBYLACAGICM-HXUWFJFHSA-N 0 3 475.593 3.025 50 0 JGAAHN COc1ccc(C(=O)NCCc2nnc3n2CCN(Cc2ccc(OC)c4ccccc24)CC3)cc1 ZINC000012190093 555937132 /nfs/dbraw/zinc/93/71/32/555937132.db2.gz BSDHDCMGRHUNPC-UHFFFAOYSA-N 0 3 485.588 3.479 50 0 JGAAHN CN(C)CCN1C(=O)N[C@](CCc2ccccc2)(C2CCN(C(=O)c3ccccc3F)CC2)C1=O ZINC000012208667 555942704 /nfs/dbraw/zinc/94/27/04/555942704.db2.gz MVSWWCFVQQOCKR-HHHXNRCGSA-N 0 3 480.584 3.163 50 0 JGAAHN O=C1CCSc2ccc(S(=O)(=O)NCC3CCN(CCc4cccs4)CC3)cc2N1 ZINC000015731079 555973502 /nfs/dbraw/zinc/97/35/02/555973502.db2.gz PJOLRVZHPIYKBE-UHFFFAOYSA-N 0 3 465.666 3.415 50 0 JGAAHN CCOC(=O)c1c(C)[nH]c(C)c1S(=O)(=O)NCC1CCN(CCc2cccs2)CC1 ZINC000015731728 555975112 /nfs/dbraw/zinc/97/51/12/555975112.db2.gz NEKXRTYXVWKGHO-UHFFFAOYSA-N 0 3 453.630 3.103 50 0 JGAAHN C[C@@H]1CN(C[C@@H](O)COCc2ccc(Cl)cc2)CCN1C[C@@H](O)COCc1ccc(Cl)cc1 ZINC000022924110 555976654 /nfs/dbraw/zinc/97/66/54/555976654.db2.gz UXFSAWYXUJUAFC-UKDVSSAZSA-N 0 3 497.463 3.455 50 0 JGAAHN CCN1CCN(Cc2ccc(NC(=O)C3CCN(c4nnc(-n5cccc5)s4)CC3)cc2)CC1 ZINC000022937144 555989901 /nfs/dbraw/zinc/98/99/01/555989901.db2.gz QEKRVAKOQXAIGS-UHFFFAOYSA-N 0 3 479.654 3.321 50 0 JGAAHN O=C(NCCCN1CCN(Cc2ccccc2)CC1)c1ccccc1NC(=O)C1=CSCCO1 ZINC000022937736 555990678 /nfs/dbraw/zinc/99/06/78/555990678.db2.gz FGIUJYXRLUOSKQ-UHFFFAOYSA-N 0 3 480.634 3.168 50 0 JGAAHN CCN1CCN(CCNC(=O)c2ccc3c(c2)NC(=O)/C(=C\c2ccc(C)cc2)S3)CC1 ZINC000022938853 555992332 /nfs/dbraw/zinc/99/23/32/555992332.db2.gz FTCCHDHUWMLCNL-XQNSMLJCSA-N 0 3 450.608 3.448 50 0 JGAAHN C[C@H](NCC1(N2CCOCC2)CCCCC1)C(=O)N1CC(=O)Nc2cc(C(F)(F)F)ccc21 ZINC000023300478 556039378 /nfs/dbraw/zinc/03/93/78/556039378.db2.gz SFRIUNGBIWNBCW-INIZCTEOSA-N 0 3 468.520 3.004 50 0 JGAAHN O=C(NCCN1CCCC1)C1CCN(c2ccc(-c3ccc(Br)s3)nn2)CC1 ZINC000015864577 556040234 /nfs/dbraw/zinc/04/02/34/556040234.db2.gz 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O=C(NC[C@@H](c1cccs1)N1CCCC1)[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1 ZINC000024992593 556171233 /nfs/dbraw/zinc/17/12/33/556171233.db2.gz SMIAZYMAGLQVIZ-SJORKVTESA-N 0 3 453.655 3.164 50 0 JGAAHN CCOC(=O)C1C(CN2CCCN(Cc3ccc(F)cc3)CC2)=NC(=O)N[C@@H]1c1ccccc1 ZINC000025075692 556178807 /nfs/dbraw/zinc/17/88/07/556178807.db2.gz AKLFPRHMVXCDSK-XMMPIXPASA-N 0 3 466.557 3.205 50 0 JGAAHN CCOC(=O)C1=C(CN2CCCN(Cc3ccc(F)cc3)CC2)NC(=O)N[C@@H]1c1ccccc1 ZINC000025075692 556178810 /nfs/dbraw/zinc/17/88/10/556178810.db2.gz AKLFPRHMVXCDSK-XMMPIXPASA-N 0 3 466.557 3.205 50 0 JGAAHN COc1ccc([C@@H](CNC(=O)c2cccc(S(=O)(=O)NCc3ccccc3)c2)N(C)C)cc1 ZINC000013013909 556204944 /nfs/dbraw/zinc/20/49/44/556204944.db2.gz UAXKMODAJBJIKR-XMMPIXPASA-N 0 3 467.591 3.206 50 0 JGAAHN CCN1CCC(NC(=O)COc2ccc(N(C)S(=O)(=O)c3ccc(Cl)cc3)cc2)CC1 ZINC000025878013 556238048 /nfs/dbraw/zinc/23/80/48/556238048.db2.gz SVUGOEWNLLGAAB-UHFFFAOYSA-N 0 3 466.003 3.144 50 0 JGAAHN Cc1ccc(N2C(=O)C3=C(C(O)n4nnc5ccccc54)N4c5ccccc5C=C[C@H]4C3C2=O)cc1 ZINC000017995898 556275177 /nfs/dbraw/zinc/27/51/77/556275177.db2.gz SMELYNXPSTVKQP-OJJQZRKESA-N 0 3 475.508 3.470 50 0 JGAAHN CCc1ccc([C@@H](CNC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(OC)cc3)C2)N(C)C)cc1 ZINC000027597367 556300940 /nfs/dbraw/zinc/30/09/40/556300940.db2.gz UZIMGSYRAZXUNL-ZJSXRUAMSA-N 0 3 473.639 3.077 50 0 JGAAHN CN(C)C[C@@H](NC(=O)CCCN1C(=O)c2ccc(Br)cc2C1=O)c1ccccc1 ZINC000029954435 556360400 /nfs/dbraw/zinc/36/04/00/556360400.db2.gz FTOVIAKDFVZULI-LJQANCHMSA-N 0 3 458.356 3.244 50 0 JGAAHN CN1CCN(CCCNC(=O)C2CCN(C(=O)c3ccc(F)cc3)CC2)[C@@H](c2ccccc2)C1 ZINC000029999861 556362154 /nfs/dbraw/zinc/36/21/54/556362154.db2.gz UFRHRUQSJWZNJB-RUZDIDTESA-N 0 3 466.601 3.173 50 0 JGAAHN COc1cc(OC)c(N(C)S(=O)(=O)c2cccc(C(=O)NC3CCN(C)CC3)c2)cc1Cl ZINC000032740441 556480233 /nfs/dbraw/zinc/48/02/33/556480233.db2.gz RSHSTBAALIXVGT-UHFFFAOYSA-N 0 3 482.002 3.006 50 0 JGAAHN C[C@@H]1Oc2ccccc2OC1C(=O)Nc1nc(-c2ccc(N(C)S(C)(=O)=O)cc2)cs1 ZINC000032857628 556512855 /nfs/dbraw/zinc/51/28/55/556512855.db2.gz OVGPWQOLVKWARS-DJJJIMSYSA-N 0 3 459.549 3.373 50 0 JGAAHN Cc1sc2ncn(CCC(=O)N[C@@H](C)CCN3CCN(c4ccccc4)CC3)c(=O)c2c1C ZINC000032916676 556541018 /nfs/dbraw/zinc/54/10/18/556541018.db2.gz KBFHDJIXHWVLIE-SFHVURJKSA-N 0 3 467.639 3.182 50 0 JGAAHN O=C(COC(=O)C1CCN(c2cccc(OC(F)(F)F)c2)C1=O)NCCC1=CCCCC1 ZINC000032922187 556541515 /nfs/dbraw/zinc/54/15/15/556541515.db2.gz GANXXMGBEXLTLZ-GOSISDBHSA-N 0 3 454.445 3.488 50 0 JGAAHN CCN(CC)C(=O)[C@@H]1CCCN(Cc2ccc3c(c2)CN(Cc2cn(C)nc2C)CCO3)C1 ZINC000055107690 569590911 /nfs/dbraw/zinc/59/09/11/569590911.db2.gz BDICONKBPJQRSR-JOCHJYFZSA-N 0 3 453.631 3.204 50 0 JGAAHN O=C(Cn1nc(-c2ccccc2)oc1=O)Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1 ZINC000057369395 569599290 /nfs/dbraw/zinc/59/92/90/569599290.db2.gz OTPZALVSCPFPOV-UHFFFAOYSA-N 0 3 469.545 3.464 50 0 JGAAHN O=C(NCc1cccc(OCCN2CCOCC2)c1)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000060318998 569608744 /nfs/dbraw/zinc/60/87/44/569608744.db2.gz VJGAKQWIJMTYQK-QHCPKHFHSA-N 0 3 455.574 3.065 50 0 JGAAHN Cc1ccc(C(=O)Nc2ccc(CN3CCC[C@H](C(N)=O)C3)cc2)cc1S(=O)(=O)N1CCCCC1 ZINC000062633063 569613924 /nfs/dbraw/zinc/61/39/24/569613924.db2.gz ACJVRYFGBOWHCN-QFIPXVFZSA-N 0 3 498.649 3.119 50 0 JGAAHN Cc1ccc(CN2CCC(CNC(=O)CSc3nc4ccccc4n(C)c3=O)CC2)cc1 ZINC000033006639 569614930 /nfs/dbraw/zinc/61/49/30/569614930.db2.gz LMGNEUMQFWDNQW-UHFFFAOYSA-N 0 3 450.608 3.362 50 0 JGAAHN C[C@H]1CCCCN1CCNC(=O)CC1CCN(C(=O)c2nnc(C(=O)Nc3ccccc3)s2)CC1 ZINC000033024959 569620379 /nfs/dbraw/zinc/62/03/79/569620379.db2.gz FFTVUMLJQFBYQI-SFHVURJKSA-N 0 3 498.653 3.023 50 0 JGAAHN COc1ccccc1C(=O)N[C@@H](CCSC)C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000033026943 569621480 /nfs/dbraw/zinc/62/14/80/569621480.db2.gz LIODOODIYKCUMJ-QFIPXVFZSA-N 0 3 455.624 3.328 50 0 JGAAHN CCN1CCN(CCNC(=O)c2cccc(NC(=O)N3CCSc4nc(C)cc(C)c43)c2)CC1 ZINC000064817001 569634072 /nfs/dbraw/zinc/63/40/72/569634072.db2.gz LDVXCGNVUJLHEB-UHFFFAOYSA-N 0 3 482.654 3.210 50 0 JGAAHN O=C(NCCN1CCCCC1)c1ccc2c(c1)nc(N1CCCC1)n(-c1ccc(F)cc1)c2=O ZINC000064819409 569635781 /nfs/dbraw/zinc/63/57/81/569635781.db2.gz ZOOQSEPTQLFKJF-UHFFFAOYSA-N 0 3 463.557 3.341 50 0 JGAAHN Cn1ncc2c3ccccc3n(CC(=O)NCC3CCN(Cc4ccccc4F)CC3)c2c1=O ZINC000064839391 569637355 /nfs/dbraw/zinc/63/73/55/569637355.db2.gz QWHGTXBVBSLTFF-UHFFFAOYSA-N 0 3 461.541 3.056 50 0 JGAAHN Cc1ccc(CN2CC[C@H](CNC(=O)[C@@H](C)n3c4ccccc4c4cnn(C)c(=O)c43)C2)cc1 ZINC000064839650 569637451 /nfs/dbraw/zinc/63/74/51/569637451.db2.gz ZXLKDSLNKQYNDW-TZIWHRDSSA-N 0 3 457.578 3.396 50 0 JGAAHN Cc1c(C(=O)NCCCN2CCN(Cc3ccccc3)CC2)cccc1-n1nnc2cccnc21 ZINC000064925810 569646576 /nfs/dbraw/zinc/64/65/76/569646576.db2.gz MWNZYZUCTCPFRS-UHFFFAOYSA-N 0 3 469.593 3.062 50 0 JGAAHN COCCN(C[C@@H]1CN(Cc2ccccc2OC)C[C@@H]1c1ccccc1OC)C(=O)COC ZINC000034740630 569655550 /nfs/dbraw/zinc/65/55/50/569655550.db2.gz WUCLDXCDDQSSGA-GMAHTHKFSA-N 0 3 456.583 3.041 50 0 JGAAHN O=C(NCC1CCN(Cc2ccccc2F)CC1)c1nc(Cn2c(=O)oc3ccc(Cl)cc32)no1 ZINC000065111864 569664610 /nfs/dbraw/zinc/66/46/10/569664610.db2.gz LBUWBYQIPFOOFZ-UHFFFAOYSA-N 0 3 499.930 3.460 50 0 JGAAHN CCN(CCNC(=O)[C@@H]1CCCN(c2cnn(Cc3ccccc3)c(=O)c2)C1)Cc1ccccc1 ZINC000065314171 569672303 /nfs/dbraw/zinc/67/23/03/569672303.db2.gz ZSGUSFJBBZZGOX-RUZDIDTESA-N 0 3 473.621 3.146 50 0 JGAAHN O=C(CCn1ccn2nc(-c3ccc(F)cc3)cc2c1=O)N1CCN(C2CCCCC2)CC1 ZINC000067262395 569683027 /nfs/dbraw/zinc/68/30/27/569683027.db2.gz RPAHJOMCZFJLNT-UHFFFAOYSA-N 0 3 451.546 3.169 50 0 JGAAHN CCOC(=O)C1=C(CN2CCN(C3CCCCC3)CC2)NC(=O)N[C@@H]1c1ccccc1Cl ZINC000067287334 569684275 /nfs/dbraw/zinc/68/42/75/569684275.db2.gz LVPTYYUPEKIHKB-JOCHJYFZSA-N 0 3 461.006 3.461 50 0 JGAAHN Cc1nc(N2CCN(C)CC2)cc(N2CCN(C(=O)c3ccc(-c4ccccc4)cc3)CC2)n1 ZINC000067621267 569688648 /nfs/dbraw/zinc/68/86/48/569688648.db2.gz DMNIBVVRWQRGME-UHFFFAOYSA-N 0 3 456.594 3.166 50 0 JGAAHN Cc1[nH]c(C(=O)N2CCC[C@@H](C(=O)NCCN3CCCC[C@@H]3C)C2)c(C)c1C(=O)OC(C)C ZINC000035422162 569692627 /nfs/dbraw/zinc/69/26/27/569692627.db2.gz XPKYBQZPVYIRKZ-FXAWDEMLSA-N 0 3 460.619 3.040 50 0 JGAAHN Cc1ccc(CN2CCC(CNC(=O)[C@@H]3CCCN(c4nc5ccccc5n(C)c4=O)C3)CC2)cc1 ZINC000035422584 569692718 /nfs/dbraw/zinc/69/27/18/569692718.db2.gz KTCDSMMXVPKFPE-XMMPIXPASA-N 0 3 487.648 3.487 50 0 JGAAHN CS(=O)(=O)c1nc(C(=O)Nc2ccc(N3CCN(Cc4ccccc4)CC3)cc2)c2ccccn21 ZINC000070004861 569694656 /nfs/dbraw/zinc/69/46/56/569694656.db2.gz RHTZENGCKDBXIT-UHFFFAOYSA-N 0 3 489.601 3.312 50 0 JGAAHN CC(C)Cn1c2nnc(CCC(=O)NC3CCN(Cc4ccccc4)CC3)n2c2ccsc2c1=O ZINC000035528556 569699773 /nfs/dbraw/zinc/69/97/73/569699773.db2.gz LAHKQCXKNBDXGV-UHFFFAOYSA-N 0 3 492.649 3.475 50 0 JGAAHN CC(C)Cn1c2nnc(CCC(=O)N3CCN(C4CCCCC4)CC3)n2c2ccsc2c1=O ZINC000035528580 569699871 /nfs/dbraw/zinc/69/98/71/569699871.db2.gz VHAOMKRWGDDMFC-UHFFFAOYSA-N 0 3 470.643 3.171 50 0 JGAAHN COc1cc(OC2CCN(C)CC2)ccc1Nc1ncc2c(n1)n(C1CCCC1)c(=O)n2C ZINC000073096242 569704204 /nfs/dbraw/zinc/70/42/04/569704204.db2.gz YUKWVHPTFRQHMF-UHFFFAOYSA-N 0 3 452.559 3.470 50 0 in-vitro JGAAHN Cc1cc(OCC(N)=O)ccc1NC(=O)N(CCN(C)C)Cc1ccc(C(F)(F)F)cc1 ZINC000078702887 569706472 /nfs/dbraw/zinc/70/64/72/569706472.db2.gz AUBAEDRTAXTTJZ-UHFFFAOYSA-N 0 3 452.477 3.474 50 0 JGAAHN NC(=O)c1c2c(sc1NC(=O)CCN1CCC[C@@H](C(=O)NC3CCCCC3)C1)CCCC2 ZINC000084543958 569709344 /nfs/dbraw/zinc/70/93/44/569709344.db2.gz FQMDNTPFZPTNLS-MRXNPFEDSA-N 0 3 460.644 3.215 50 0 JGAAHN Cc1cc(-c2c(C)nc3scc(CC(=O)NCCN(C)C)n3c2=O)nn1-c1cccc(C)c1C ZINC000035912030 569727149 /nfs/dbraw/zinc/72/71/49/569727149.db2.gz IVRGEESRWMWKRX-UHFFFAOYSA-N 0 3 478.622 3.063 50 0 JGAAHN COc1ccc([C@@H](NCC(=O)NCCNC(=O)CN[C@H](c2ccc(OC)cc2)C(C)C)C(C)C)cc1 ZINC000095939047 569730778 /nfs/dbraw/zinc/73/07/78/569730778.db2.gz MXDZFCKKFLSGSU-NSOVKSMOSA-N 0 3 498.668 3.210 50 0 JGAAHN COc1ccc(C2=NCCNC3=C2[C@H](c2ccc(Cl)cc2)N(CCCN2CCOCC2)C3=O)cc1 ZINC000096833466 569743331 /nfs/dbraw/zinc/74/33/31/569743331.db2.gz CXENVWYYWRIJND-SANMLTNESA-N 0 3 495.023 3.301 50 0 JGAAHN COc1cc(-c2ncc(C(=O)NCCN(C)C)c(N(C)Cc3ccccc3)n2)cc(OC)c1OC ZINC000035987923 569743564 /nfs/dbraw/zinc/74/35/64/569743564.db2.gz YFBUVZZSCGOGKR-UHFFFAOYSA-N 0 3 479.581 3.097 50 0 JGAAHN CN(C)CCN1CCN(c2nc3nn(C)c(N)c3c(-c3cccc(Oc4ccccc4)c3)n2)CC1 ZINC000037377566 569784533 /nfs/dbraw/zinc/78/45/33/569784533.db2.gz UKHIVEXUKFXLNB-UHFFFAOYSA-N 0 3 472.597 3.088 50 0 JGAAHN Cc1ccc(F)c(OCC(=O)c2ccc3c(c2)N([C@H](C)C(=O)NCCN2CCCCC2)C(=O)CO3)c1 ZINC000037511903 569791767 /nfs/dbraw/zinc/79/17/67/569791767.db2.gz XJISGDVFEWBGIC-LJQANCHMSA-N 0 3 497.567 3.112 50 0 JGAAHN Cc1cc(OCC(=O)c2ccc3c(c2)N(CCCC(=O)NCCN(C)C)C(=O)CO3)ccc1Cl ZINC000037512954 569792493 /nfs/dbraw/zinc/79/24/93/569792493.db2.gz GCBZUXBNPSELBN-UHFFFAOYSA-N 0 3 487.984 3.094 50 0 JGAAHN COC(=O)C1=C(C)N=C2SC=C(CC(=O)NCCN3CCCCC3)N2[C@H]1c1ccccc1OC ZINC000102746852 569820140 /nfs/dbraw/zinc/82/01/40/569820140.db2.gz JBFXIIZYJFKYQY-QHCPKHFHSA-N 0 3 484.622 3.435 50 0 JGAAHN COC(=O)C1=C(C)N=C2SC=C(CC(=O)NCCN3CCCCC3)N2[C@@H]1c1ccccc1OC ZINC000102746855 569820222 /nfs/dbraw/zinc/82/02/22/569820222.db2.gz JBFXIIZYJFKYQY-HSZRJFAPSA-N 0 3 484.622 3.435 50 0 JGAAHN O=C(CCNC1(c2ccc(Br)cc2)CCOCC1)N1CCN(c2ccccn2)CC1 ZINC000040155688 569820862 /nfs/dbraw/zinc/82/08/62/569820862.db2.gz HUEJMYMYPAPBKC-UHFFFAOYSA-N 0 3 473.415 3.178 50 0 JGAAHN C[C@@H]1CCCN(CCCNS(=O)(=O)c2cc3c(cc2Br)CCN3C(=O)C2CC2)C1 ZINC000040450553 569828802 /nfs/dbraw/zinc/82/88/02/569828802.db2.gz ZUELTAQYDGZOAY-OAHLLOKOSA-N 0 3 484.460 3.149 50 0 JGAAHN CCOC(=O)C1=C(C)N=C2SC=C(CC(=O)N3CC[C@H](N(C)C)C3)N2[C@@H]1c1cccc(OC)c1 ZINC000103052696 569832389 /nfs/dbraw/zinc/83/23/89/569832389.db2.gz ATBQTINIQACGFX-FDDCHVKYSA-N 0 3 484.622 3.386 50 0 JGAAHN CCOC(=O)C1=C(C)N=C2SC=C(CC(=O)N3CC[C@H](N(C)C)C3)N2[C@H]1c1cccc(OC)c1 ZINC000103052698 569832393 /nfs/dbraw/zinc/83/23/93/569832393.db2.gz ATBQTINIQACGFX-MBSDFSHPSA-N 0 3 484.622 3.386 50 0 JGAAHN CC1=C(C(=O)N(C)C(C)C)[C@H](c2ccc(F)cc2)N2C(CC(=O)NCCN(C)C)=CSC2=N1 ZINC000103403867 569834809 /nfs/dbraw/zinc/83/48/09/569834809.db2.gz SUALJRLQCFEWLU-QFIPXVFZSA-N 0 3 473.618 3.335 50 0 JGAAHN CC1=C(C(=O)N(C)C(C)C)[C@@H](c2ccc(F)cc2)N2C(CC(=O)NCCN(C)C)=CSC2=N1 ZINC000103403869 569834890 /nfs/dbraw/zinc/83/48/90/569834890.db2.gz SUALJRLQCFEWLU-JOCHJYFZSA-N 0 3 473.618 3.335 50 0 JGAAHN CCCS(=O)(=O)N1CCC(C(=O)Nc2ccc(N3CCN(Cc4ccccc4)CC3)cc2)CC1 ZINC000049462017 569848123 /nfs/dbraw/zinc/84/81/23/569848123.db2.gz INVRIJZHBYZAHY-UHFFFAOYSA-N 0 3 484.666 3.399 50 0 JGAAHN CC(C)[C@H](NC(=O)c1ccccc1Cl)C(=O)N1CCC(CN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000106185945 569853903 /nfs/dbraw/zinc/85/39/03/569853903.db2.gz BDSGMXLTBQKKPZ-SVMVAKDDSA-N 0 3 450.023 3.442 50 0 JGAAHN COCCN1CC[C@H](CN(C)C(=O)CN2Cc3ccccc3O[C@@H](c3ccccc3F)C2)C1 ZINC000215828168 569877785 /nfs/dbraw/zinc/87/77/85/569877785.db2.gz JFLWNGWXNCZFGP-CJFMBICVSA-N 0 3 455.574 3.188 50 0 JGAAHN COc1cc(C(=O)N2CC[C@@H](O)[C@@H](N)C2)cc2nc(-c3cc4ccccc4n3CC3CC3)n(C)c21 ZINC000221532199 569883666 /nfs/dbraw/zinc/88/36/66/569883666.db2.gz BDYDINKSILYBOL-WMZHIEFXSA-N 0 3 473.577 3.148 50 0 in-vitro JGAAHN O=C(NC1CCN(Cc2ccccc2)CC1)[C@H]1CC[C@H](Cn2nnc3ccccc3c2=O)CC1 ZINC000238950834 570048375 /nfs/dbraw/zinc/04/83/75/570048375.db2.gz ZTZXGFOVUDNMPI-HZCBDIJESA-N 0 3 459.594 3.379 50 0 JGAAHN O=C1C2=C(C(O)n3nnc4ccccc43)N3c4ccccc4C=C[C@H]3C2C(=O)N1c1ccccc1F ZINC000247706496 570068740 /nfs/dbraw/zinc/06/87/40/570068740.db2.gz FHZFSVQHORGVGB-ZJZGAYNASA-N 0 3 479.471 3.301 50 0 JGAAHN O=C([C@H]1CCCN(Cc2nc3ccccc3n2Cc2ccc(Cl)cc2)C1)N1CCNCC1 ZINC000247870191 570070459 /nfs/dbraw/zinc/07/04/59/570070459.db2.gz QKUKREUZXPOZAA-FQEVSTJZSA-N 0 3 452.002 3.382 50 0 JGAAHN CC(C)(C)OC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1C(=O)[C@@H](NC(=O)[C@H](N)C1CCCCC1)C(C)(C)C ZINC000248258060 570076987 /nfs/dbraw/zinc/07/69/87/570076987.db2.gz LLEPKFITUHEOIF-SSSFQFABSA-N 0 3 463.663 3.394 50 0 JGAAHN C[C@@H]1CCC[C@@H](C)N1CCNC(=O)[C@@H]1[C@H]2C(=O)N(Cc3ccccc3Cl)C[C@@]23C=C[C@@H]1O3 ZINC000252584578 570083585 /nfs/dbraw/zinc/08/35/85/570083585.db2.gz BGRSGIWVTLNASZ-GJBVSCSZSA-N 0 3 458.002 3.001 50 0 JGAAHN COc1ccc(Cn2c(CN3CCC[C@H](C(=O)N4CCN[C@@H](C)C4)C3)nc3ccccc32)cc1 ZINC000253603609 570104352 /nfs/dbraw/zinc/10/43/52/570104352.db2.gz LPAQKOAXBUOSOC-UNMCSNQZSA-N 0 3 461.610 3.126 50 0 JGAAHN CCOC(=O)N1CCN(C(=O)c2ccc(N3CCC(N(C)Cc4ncccc4C)CC3)cc2)CC1 ZINC000299796138 570177223 /nfs/dbraw/zinc/17/72/23/570177223.db2.gz MUVNZVJVCQYXEK-UHFFFAOYSA-N 0 3 479.625 3.405 50 0 JGAAHN COc1ccc(CCNC(=O)CC[C@H]2CN(Cc3ccccc3)CC[C@H]2N2CCN(C)CC2)cc1 ZINC000299798771 570177341 /nfs/dbraw/zinc/17/73/41/570177341.db2.gz SIMFGDZRNSJYJB-XTEPFMGCSA-N 0 3 478.681 3.272 50 0 JGAAHN CN(C)[C@@H](CNC(=O)/C=C/c1ccc(S(=O)(=O)NCc2ccco2)cc1)c1ccccc1 ZINC000003318024 194279708 /nfs/dbraw/zinc/27/97/08/194279708.db2.gz OXLHKIBKNGQORY-UXZSZYKQSA-N 0 3 453.564 3.190 50 0 JGAAHN COc1ccc(-c2cc(C(F)(F)F)n3ncc(C(=O)N4CCN5CCC[C@@H]5C4)c3n2)cc1OC ZINC000004162530 194381680 /nfs/dbraw/zinc/38/16/80/194381680.db2.gz SBZUBUKXRIKRTG-OAHLLOKOSA-N 0 3 475.471 3.353 50 0 JGAAHN O=C(NC1CCN(Cc2ccccc2)CC1)c1ccc2c(c1)[nH]c(=O)n(CCc1ccccc1)c2=O ZINC000004791588 194399827 /nfs/dbraw/zinc/39/98/27/194399827.db2.gz LMPZYDHAKNPODN-UHFFFAOYSA-N 0 3 482.584 3.327 50 0 JGAAHN O=C(N[C@@H]1CCN(Cc2ccccc2)C1)C1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1 ZINC000009950717 195033205 /nfs/dbraw/zinc/03/32/05/195033205.db2.gz UJCKAVIPYWDVKH-RUZDIDTESA-N 0 3 481.662 3.357 50 0 JGAAHN CC[C@H]1CN(CCC(=O)N2CCN(c3ccccc3OC)CC2)Cc2cc(OC)ccc2O1 ZINC000012726790 195097737 /nfs/dbraw/zinc/09/77/37/195097737.db2.gz LGAWJWHFSWYWCL-NRFANRHFSA-N 0 3 453.583 3.416 50 0 JGAAHN O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCN(c2ccncc2)CC1)c1ccc(F)cc1 ZINC000012786313 195128296 /nfs/dbraw/zinc/12/82/96/195128296.db2.gz MKISYVIUVQPNSL-VWLOTQADSA-N 0 3 471.536 3.392 50 0 JGAAHN CCCCNC(=O)CC1N=C2c3ccccc3N=C(SCC(=O)NC3CCCCC3)N2C1=O ZINC000020643090 195194120 /nfs/dbraw/zinc/19/41/20/195194120.db2.gz RDRMPNMRTXRVRJ-LJQANCHMSA-N 0 3 469.611 3.134 50 0 JGAAHN O=C(c1ccc(Cl)c(NC2=N[C@H]3CS(=O)(=O)C[C@H]3S2)c1)N1CCN(C2CCCCC2)CC1 ZINC000020618048 195189875 /nfs/dbraw/zinc/18/98/75/195189875.db2.gz URLPAZHPEPACMM-VQTJNVASSA-N 0 3 497.086 3.111 50 0 JGAAHN CC(C)(C)c1ccc2c(c1)N(CC(=O)NCCCN1CCN(Cc3ccccc3)CC1)C(=O)CO2 ZINC000020684884 195204831 /nfs/dbraw/zinc/20/48/31/195204831.db2.gz TXQWHPDZVQJRNR-UHFFFAOYSA-N 0 3 478.637 3.034 50 0 JGAAHN COc1ccc(-c2noc(N3CCC[C@H](C(=O)N4CCN(C5CCCCC5)CC4)C3)n2)cc1 ZINC000020924158 195248908 /nfs/dbraw/zinc/24/89/08/195248908.db2.gz DQXHWEJLDGDEMY-FQEVSTJZSA-N 0 3 453.587 3.439 50 0 JGAAHN Cc1ccc(C(=O)NCCCN2CCN(Cc3ccccc3)CC2)cc1NC(=O)C1=CSCCO1 ZINC000021019821 195267151 /nfs/dbraw/zinc/26/71/51/195267151.db2.gz YULKGJULWLJVMV-UHFFFAOYSA-N 0 3 494.661 3.476 50 0 JGAAHN CCCCN(CCNC(=O)[C@H]1CCCN(c2nnc(N3CCCC3=O)s2)C1)Cc1cccs1 ZINC000021027193 195269166 /nfs/dbraw/zinc/26/91/66/195269166.db2.gz VOYWOTRNZYGEEH-SFHVURJKSA-N 0 3 490.699 3.361 50 0 JGAAHN C[C@H]1CCCCN1CCCNC(=O)C[S@@](=O)Cc1cnn(-c2ccccc2)c1-n1cccc1 ZINC000021109917 195277505 /nfs/dbraw/zinc/27/75/05/195277505.db2.gz SUYOHEFFNWVPNF-AUSOSSAASA-N 0 3 467.639 3.292 50 0 JGAAHN CCN1CCN(CCCNC(=O)c2c3c(nc4ccccc42)C(=O)N(C2CCCCC2)C3)CC1 ZINC000021915181 195331657 /nfs/dbraw/zinc/33/16/57/195331657.db2.gz WDLNEHCCMODHLS-UHFFFAOYSA-N 0 3 463.626 3.281 50 0 JGAAHN CC1CCN(C(=O)[C@@H]2CCCN(C(=O)Nc3ccc(N4CCCN(C)CC4)c(F)c3)C2)CC1 ZINC000058136394 195365917 /nfs/dbraw/zinc/36/59/17/195365917.db2.gz GISKXLOAEABJIW-HXUWFJFHSA-N 0 3 459.610 3.470 50 0 JGAAHN O=C(CN1CCC(CCN2CCOCC2)CC1)Nc1ccccc1C(=O)Nc1ccc(F)cc1 ZINC000058152766 195367065 /nfs/dbraw/zinc/36/70/65/195367065.db2.gz KTGXOXFZRROPSC-UHFFFAOYSA-N 0 3 468.573 3.451 50 0 JGAAHN O=C(CNC(=O)c1ccc2c(c1)OCO2)Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1 ZINC000058176639 195372037 /nfs/dbraw/zinc/37/20/37/195372037.db2.gz FPDSCHFNASQORX-UHFFFAOYSA-N 0 3 472.545 3.106 50 0 JGAAHN CCN1CCC[C@H]1CNC(=O)[C@@]1(O)c2cc(Br)ccc2NC(=O)N1c1ccccc1 ZINC000103582074 130646784 /nfs/dbraw/zinc/64/67/84/130646784.db2.gz RMKFLSCSBFETSJ-JTSKRJEESA-N 0 3 473.371 3.247 50 0 JGAAHN CC(C)[C@@H](NS(C)(=O)=O)c1nnc2n1CCN(Cc1ccc(N(C)c3ccccc3)cc1)CC2 ZINC000014988045 519799456 /nfs/dbraw/zinc/79/94/56/519799456.db2.gz GIOZVHNLCUMFLH-XMMPIXPASA-N 0 3 482.654 3.351 50 0 JGAAHN CCCN1CCN(CCCNC(=O)c2cn(-c3ccc(OC)cc3)c(=O)c3ccccc23)CC1 ZINC000020508882 519858314 /nfs/dbraw/zinc/85/83/14/519858314.db2.gz YZQGWYGZXHXKKM-UHFFFAOYSA-N 0 3 462.594 3.147 50 0 JGAAHN CCN(CC)[C@@H](CNC(=O)[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1)c1cccc(OC)c1 ZINC000022700781 520834850 /nfs/dbraw/zinc/83/48/50/520834850.db2.gz ADVPSWBTWCBYAO-CTNGQTDRSA-N 0 3 479.668 3.357 50 0 JGAAHN CCOC(=O)N1CCN(C(=O)[C@H]2CC23CCN(Cc2ccc(Oc4ncccn4)cc2)CC3)CC1 ZINC000014983546 520947765 /nfs/dbraw/zinc/94/77/65/520947765.db2.gz HRYKNAITQSYGKP-JOCHJYFZSA-N 0 3 479.581 3.172 50 0 JGAAHN CCOC(=O)c1[nH]c(C)c(CCC(=O)N2CCC[C@@H](C(=O)NCCN(C)Cc3ccccc3)C2)c1C ZINC000046046463 521365107 /nfs/dbraw/zinc/36/51/07/521365107.db2.gz PSEDXSKGYYPJCZ-HSZRJFAPSA-N 0 3 496.652 3.228 50 0 JGAAHN CCN1C(=O)N(C2Cc3ccccc3C2)C(=O)C12CCN(Cc1ccc3nsnc3c1)CC2 ZINC000014733784 521524818 /nfs/dbraw/zinc/52/48/18/521524818.db2.gz HJXKKDDQZLQGCE-UHFFFAOYSA-N 0 3 461.591 3.477 50 0 JGAAHN CCN1CCC[C@@H]1CNC(=O)c1ccc(N2CCCCC2)c(S(=O)(=O)N2CCCCC2)c1 ZINC000033053149 521637635 /nfs/dbraw/zinc/63/76/35/521637635.db2.gz UKEATQICOLNCBE-OAQYLSRUSA-N 0 3 462.660 3.066 50 0 JGAAHN CCN1CCN(CCNC(=O)[C@@H](C)C2CCN(C(=O)c3cc4cc(Cl)ccc4[nH]3)CC2)CC1 ZINC000033113950 521683316 /nfs/dbraw/zinc/68/33/16/521683316.db2.gz QFZGACPNTBMEDM-SFHVURJKSA-N 0 3 474.049 3.063 50 0 JGAAHN CCN1CCN(CCNC(=O)c2cccc([C@H]3CCCN(C(=O)Nc4ccccc4)C3)c2)CC1 ZINC000033035799 521683624 /nfs/dbraw/zinc/68/36/24/521683624.db2.gz IRFIGRVHVYRUKD-DEOSSOPVSA-N 0 3 463.626 3.465 50 0 JGAAHN CCN1CCN(CCNC(=O)c2ccc3c(c2)N(C)C(=O)/C(=C/c2ccc(OC)cc2)S3)CC1 ZINC000020179647 521684095 /nfs/dbraw/zinc/68/40/95/521684095.db2.gz BALBPKBKTVVXBD-ULJHMMPZSA-N 0 3 480.634 3.172 50 0 JGAAHN CN(C)CCN1C(=O)N[C@](CCc2ccccc2)(C2CCN(C(=O)c3cccc(F)c3)CC2)C1=O ZINC000012244339 521757142 /nfs/dbraw/zinc/75/71/42/521757142.db2.gz KRRUQUQYNNYUJN-HHHXNRCGSA-N 0 3 480.584 3.163 50 0 JGAAHN CN(C)[C@@H](CNC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1F)c1ccccc1 ZINC000022622896 522020816 /nfs/dbraw/zinc/02/08/16/522020816.db2.gz IMLFJINCWRZFEG-GOTSBHOMSA-N 0 3 469.582 3.134 50 0 JGAAHN COC[C@H](O)CN(CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(F)cc1)CC1CC1 ZINC000036310211 522787189 /nfs/dbraw/zinc/78/71/89/522787189.db2.gz PKTKNLFWHFAWPZ-KNQAVFIVSA-N 0 3 462.587 3.111 50 0 JGAAHN COc1ccc(-c2ccc(N3CCN(C4CCCCC4)CC3)nn2)cc1S(=O)(=O)N1CCCC1 ZINC000065009595 523137047 /nfs/dbraw/zinc/13/70/47/523137047.db2.gz GSYXSVKNUPCOMU-UHFFFAOYSA-N 0 3 485.654 3.391 50 0 JGAAHN COc1ccc(-c2nc(C[S@@](=O)CC(=O)NCCCN3CCC[C@H](C)C3)c(C)o2)cc1OC ZINC000036091445 523214474 /nfs/dbraw/zinc/21/44/74/523214474.db2.gz MZJHCVQYJBHWAM-GTOJURISSA-N 0 3 477.627 3.154 50 0 JGAAHN COc1ccc(-c2nc(C[S@](=O)CC(=O)NCCCN3CCC[C@H](C)C3)c(C)o2)cc1OC ZINC000036091446 523217012 /nfs/dbraw/zinc/21/70/12/523217012.db2.gz MZJHCVQYJBHWAM-UGAOPGRHSA-N 0 3 477.627 3.154 50 0 JGAAHN CCn1nc(C(=O)N2CCCN(C)CC2)c2c1CC[C@@H](NCc1ccccc1OC(F)(F)F)C2 ZINC000014750968 523610965 /nfs/dbraw/zinc/61/09/65/523610965.db2.gz MDYBMCWFAMATMJ-GOSISDBHSA-N 0 3 479.547 3.226 50 0 JGAAHN CC[C@H](C(=O)NCCN1CCCCCC1)n1nc(C)c2nn(-c3ccccc3)c(C)c2c1=O ZINC000064971058 523776026 /nfs/dbraw/zinc/77/60/26/523776026.db2.gz PREQKXDWFDTRLI-OAQYLSRUSA-N 0 3 450.587 3.142 50 0 JGAAHN COCCN1C(=O)N(C2Cc3ccccc3C2)C(=O)C12CCN(Cc1ccc3c(c1)CCO3)CC2 ZINC000014753545 523799737 /nfs/dbraw/zinc/79/97/37/523799737.db2.gz OTAAGNPHOOFUCY-UHFFFAOYSA-N 0 3 475.589 3.034 50 0 JGAAHN COCCN1C(=O)N(CCCc2cccnc2)C(=O)C12CCN(Cc1ccc(C)s1)CC2 ZINC000014541894 523801755 /nfs/dbraw/zinc/80/17/55/523801755.db2.gz XSKFECQFRVATOU-UHFFFAOYSA-N 0 3 456.612 3.330 50 0 JGAAHN CN1CCN(CCCN2C(=O)c3cc4sccc4n3C[C@@]2(C)C(=O)NC2CCCCC2)CC1 ZINC000021808466 523894777 /nfs/dbraw/zinc/89/47/77/523894777.db2.gz CJRQQFFLKUDNLI-VWLOTQADSA-N 0 3 471.671 3.004 50 0 JGAAHN COc1ccc(CCN2C[C@H](C(=O)NC[C@@H](c3cccs3)N3CCCC3)CC2=O)cc1OC ZINC000036063147 523952288 /nfs/dbraw/zinc/95/22/88/523952288.db2.gz LNWUZIYTNWMTET-UXHICEINSA-N 0 3 471.623 3.110 50 0 JGAAHN COc1ccc(CN2CCc3nnc(CNC(=O)Cc4ccccc4)n3CC2)c2ccccc12 ZINC000014989289 524039699 /nfs/dbraw/zinc/03/96/99/524039699.db2.gz RGEXKSIYVHWJAW-UHFFFAOYSA-N 0 3 455.562 3.357 50 0 JGAAHN Cc1ccc(CN(Cc2nc(C(=O)NCCN(C)C)co2)Cc2ccc3c(c2)OCO3)cc1 ZINC000036065729 524422948 /nfs/dbraw/zinc/42/29/48/524422948.db2.gz ODJGTBBRIAORDZ-UHFFFAOYSA-N 0 3 450.539 3.206 50 0 JGAAHN Cc1cccc(NC(=O)N(C)CCc2noc(-c3ccc(C(=O)NCCN(C)C)cc3)n2)c1 ZINC000033277934 524612758 /nfs/dbraw/zinc/61/27/58/524612758.db2.gz LFDBHYNLYKGZSB-UHFFFAOYSA-N 0 3 450.543 3.043 50 0 JGAAHN Cc1[nH]nc2c1C(c1cnn(C)c1)c1c3nc(-c4ccc(OC(F)F)cc4)nn3cnc1O2 ZINC000022529342 525473019 /nfs/dbraw/zinc/47/30/19/525473019.db2.gz UZZYZFUQCILYFH-HNNXBMFYSA-N 0 3 450.409 3.444 50 0 JGAAHN COc1ccc2cc3n(c2c1)C[C@@](C)(C(=O)NC1CCCCC1)N(CCN1CCCC1)C3=O ZINC000021856317 525642141 /nfs/dbraw/zinc/64/21/41/525642141.db2.gz VWHDFTMRNVULJF-SANMLTNESA-N 0 3 452.599 3.409 50 0 JGAAHN Cc1c2c(nn1-c1ccccc1)c(C)nn([C@@H](C)C(=O)NCCCN1CCc3ccccc3C1)c2=O ZINC000064971282 525938225 /nfs/dbraw/zinc/93/82/25/525938225.db2.gz YJOCJDBRUQRTDJ-NRFANRHFSA-N 0 3 484.604 3.325 50 0 JGAAHN CSc1ccccc1CN1CCC(CNC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)CC1 ZINC000043991511 526156810 /nfs/dbraw/zinc/15/68/10/526156810.db2.gz OSSVVEPRUMBIPB-UHFFFAOYSA-N 0 3 461.653 3.301 50 0 JGAAHN O=C(NCCN1CCCCC1)[C@H](C1CCCC1)N1CCN(C(=O)c2ccccc2Cl)CC1 ZINC000036254989 526308362 /nfs/dbraw/zinc/30/83/62/526308362.db2.gz NSRSHNHTMOJAQN-QHCPKHFHSA-N 0 3 461.050 3.259 50 0 JGAAHN O=C(CCn1cnc2c(-c3ccccc3)noc2c1=O)NCCCN1CCc2ccccc2C1 ZINC000033128604 526682236 /nfs/dbraw/zinc/68/22/36/526682236.db2.gz YAURFMDJIHHIBO-UHFFFAOYSA-N 0 3 457.534 3.006 50 0 JGAAHN O=C(COc1ccc(I)cc1)NC1CCN(Cc2ccccc2)CC1 ZINC000017362859 526962513 /nfs/dbraw/zinc/96/25/13/526962513.db2.gz OGUFGTYQNSXDJN-UHFFFAOYSA-N 0 3 450.320 3.451 50 0 JGAAHN O=C1CC[C@@H](CCNCc2cc3c(cc2Cl)OCO3)N1C[C@@H](c1ccncc1)N1CCOCC1 ZINC000014994761 526990216 /nfs/dbraw/zinc/99/02/16/526990216.db2.gz IXQBZWGYKSPZLR-UNMCSNQZSA-N 0 3 487.000 3.008 50 0 JGAAHN O=C1NC(=O)[C@](Cc2ccccc2F)(C2CCN(Cc3ccc(Oc4ncccn4)cc3)CC2)N1 ZINC000014880804 527056258 /nfs/dbraw/zinc/05/62/58/527056258.db2.gz HISUIZLJDFLAHG-SANMLTNESA-N 0 3 475.524 3.441 50 0 JGAAHN O=C(Nc1ccc(F)cc1)[C@@H]1C[C@H](C(=O)NCCOc2ccccc2)CN(Cc2ccncc2)C1 ZINC000014746893 527202251 /nfs/dbraw/zinc/20/22/51/527202251.db2.gz OWFOVOASCFCHND-FCHUYYIVSA-N 0 3 476.552 3.493 50 0 JGAAHN O=C(NCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1)NC1CCN(C2CC2)CC1 ZINC000089779537 527668209 /nfs/dbraw/zinc/66/82/09/527668209.db2.gz RKWJNYFHAIMLCL-UHFFFAOYSA-N 0 3 453.553 3.144 50 0 JGAAHN COc1cccc(N2C(=O)C(N3C(=O)c4ccccc4C3=O)[C@H]2c2cc(OC)c(OC)c(OC)c2)c1 ZINC000002475670 554225192 /nfs/dbraw/zinc/22/51/92/554225192.db2.gz QVFKYBFTZWLGLM-PKTZIBPZSA-N 0 3 488.496 3.474 50 0 JGAAHN O=C(NCCCN1CCc2ccccc2C1)C1CCN(c2nnc(-n3cccc3)s2)CC1 ZINC000006577702 554553252 /nfs/dbraw/zinc/55/32/52/554553252.db2.gz XQWJVLQZUBRSRB-UHFFFAOYSA-N 0 3 450.612 3.110 50 0 aggregator JGAAHN CCN1CCN(c2ccc(NC(=O)CCc3ccc(S(=O)(=O)N4CCCC4)cc3)cc2)CC1 ZINC000009207131 554976448 /nfs/dbraw/zinc/97/64/48/554976448.db2.gz WSDRSIORQCHBHJ-UHFFFAOYSA-N 0 3 470.639 3.184 50 0 JGAAHN CCN1CCN(c2ccc(NC(=O)CN3C(=O)N[C@](C)(c4ccc5ccccc5c4)C3=O)cc2)CC1 ZINC000009379152 555141229 /nfs/dbraw/zinc/14/12/29/555141229.db2.gz WWFUHABJUAHJJY-MUUNZHRXSA-N 0 3 485.588 3.387 50 0 JGAAHN COc1ccc(C(=O)NC[C@@H](Cc2ccccc2)N(C)C)cc1S(=O)(=O)N(C)Cc1ccccc1 ZINC000009515706 555306868 /nfs/dbraw/zinc/30/68/68/555306868.db2.gz YKQMXJRXIFNACQ-XMMPIXPASA-N 0 3 495.645 3.419 50 0 JGAAHN Cc1cc(C)cc(-n2ccn3c(CCC(=O)NC4CCN(Cc5ccccc5)CC4)nnc3c2=O)c1 ZINC000009688334 555415472 /nfs/dbraw/zinc/41/54/72/555415472.db2.gz OSYZLKNTMIMLHB-UHFFFAOYSA-N 0 3 484.604 3.210 50 0 JGAAHN CCCCCN1CCN(c2nc3c(c(=O)[nH]c(=O)n3C)n2Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000009714457 555443537 /nfs/dbraw/zinc/44/35/37/555443537.db2.gz CTZFTYYYNIVSRQ-UHFFFAOYSA-N 0 3 479.412 3.091 50 0 JGAAHN CN(C)CCn1c(=O)nc(SCC(=O)Nc2ccc(C(F)(F)F)cc2)c2c1CCCC2 ZINC000009747253 555479266 /nfs/dbraw/zinc/47/92/66/555479266.db2.gz QUBKJJZAIGJTIU-UHFFFAOYSA-N 0 3 454.518 3.433 50 0 JGAAHN O=C(/C=C/c1ccc(F)cc1)NCCCN1CCN(CCCNC(=O)/C=C/c2ccc(F)cc2)CC1 ZINC000019832068 555506027 /nfs/dbraw/zinc/50/60/27/555506027.db2.gz ZMXGFHMNCLEKBG-FNCQTZNRSA-N 0 3 496.602 3.322 50 0 JGAAHN COc1ccccc1N1C(=O)C2[C@H](C1=O)[C@@H](c1ccc(F)cc1)NN2C(=O)c1ccc(C)cc1 ZINC000013573585 555512097 /nfs/dbraw/zinc/51/20/97/555512097.db2.gz YRNNIFRCYLSLLR-ZLNRFVROSA-N 0 3 459.477 3.403 50 0 JGAAHN Cc1nc2nc(SCC(=O)NCCN3CCCCCC3)nn2c(C)c1Cc1ccccc1 ZINC000009841321 555544273 /nfs/dbraw/zinc/54/42/73/555544273.db2.gz IIVAFZFKKFCLFD-UHFFFAOYSA-N 0 3 452.628 3.416 50 0 JGAAHN COc1ccc(N2C(=O)CC[C@@H](C(=O)NCCCN3CCN(C)CC3)[C@@H]2c2ccc(F)cc2)cc1 ZINC000020113754 555651428 /nfs/dbraw/zinc/65/14/28/555651428.db2.gz AJQZJUDKOYYRMT-RSXGOPAZSA-N 0 3 482.600 3.072 50 0 JGAAHN CCN1CCN(CCCNC(=O)CCC(=O)Nc2ccc3nc(N4CCCCC4)cc(C)c3c2)CC1 ZINC000020137950 555661419 /nfs/dbraw/zinc/66/14/19/555661419.db2.gz LJUVPHVBAUPKEA-UHFFFAOYSA-N 0 3 494.684 3.396 50 0 JGAAHN CCOC(=O)C1=C(CN2CCN([C@@H](C)CC)CC2)NC(=O)N[C@H]1c1ccc(OC(C)C)cc1 ZINC000020214582 555709984 /nfs/dbraw/zinc/70/99/84/555709984.db2.gz WYBPONJTGFEZAI-MBSDFSHPSA-N 0 3 458.603 3.061 50 0 JGAAHN CCOC(=O)C1C(CN2CCN([C@@H](C)CC)CC2)=NC(=O)N[C@H]1c1ccc(OC(C)C)cc1 ZINC000020214582 555709987 /nfs/dbraw/zinc/70/99/87/555709987.db2.gz WYBPONJTGFEZAI-MBSDFSHPSA-N 0 3 458.603 3.061 50 0 JGAAHN COc1ccc(NC(=O)CN[C@H](C)c2cccc3ccccc32)cc1S(=O)(=O)N1CCOCC1 ZINC000014160845 555716124 /nfs/dbraw/zinc/71/61/24/555716124.db2.gz HHUTVKDUDSUJGF-GOSISDBHSA-N 0 3 483.590 3.159 50 0 JGAAHN O=C([C@@H](NS(=O)(=O)c1cccc2nsnc21)c1ccccc1)N1CCN(C2CCCCC2)CC1 ZINC000020235476 555728072 /nfs/dbraw/zinc/72/80/72/555728072.db2.gz MGXWMKZAFYGGKK-QFIPXVFZSA-N 0 3 499.662 3.188 50 0 JGAAHN COc1ccc(COC[C@@H](O)CN2CCCN(c3ccc(C(F)(F)F)cn3)CC2)cc1OC ZINC000014200920 555732552 /nfs/dbraw/zinc/73/25/52/555732552.db2.gz WYUIGKIVPLUWAU-IBGZPJMESA-N 0 3 469.504 3.207 50 0 JGAAHN Cc1ccc(C(=O)NCCc2nnc3n2CCN(C[C@@H](C)Cc2ccc4c(c2)OCO4)CC3)c(C)c1 ZINC000020272677 555749291 /nfs/dbraw/zinc/74/92/91/555749291.db2.gz HPNZRGWIFPHHTB-FQEVSTJZSA-N 0 3 489.620 3.333 50 0 JGAAHN COC(=O)c1cc(NC(=O)C2=C(C)C(=O)OC23CCN(Cc2ccccc2)CC3)cc(C(=O)OC)c1 ZINC000020531708 555799282 /nfs/dbraw/zinc/79/92/82/555799282.db2.gz REQRLBRVPQBFAO-UHFFFAOYSA-N 0 3 492.528 3.106 50 0 biogenic JGAAHN CCN1CCC[C@@H]1CNC(=O)C1CCN(c2nnc(C)c3c(C)n(-c4ccccc4)nc32)CC1 ZINC000020564122 555816712 /nfs/dbraw/zinc/81/67/12/555816712.db2.gz BQPWVFBULJENNC-JOCHJYFZSA-N 0 3 461.614 3.249 50 0 JGAAHN Cc1ccccc1[C@]1(CC(=O)N2CCCC[C@@H]2c2cccnc2)CC(=O)N(CCN(C)C)C1=O ZINC000011785609 555818019 /nfs/dbraw/zinc/81/80/19/555818019.db2.gz RDOLUMUIZIGRNX-KCWPFWIISA-N 0 3 462.594 3.092 50 0 JGAAHN COc1ccc(CCN2C(=O)N(CCN(C)C)C(=O)C23CCN(Cc2ccccc2F)CC3)cc1 ZINC000014533701 555821924 /nfs/dbraw/zinc/82/19/24/555821924.db2.gz BHVAQQHJCSEXBX-UHFFFAOYSA-N 0 3 482.600 3.237 50 0 JGAAHN COCCCNC(=O)[C@@H]1C[C@H](COc2ccc(C)nc2)CN(Cc2ccc(OC)c(OC)c2)C1 ZINC000014534037 555822703 /nfs/dbraw/zinc/82/27/03/555822703.db2.gz XLJVXQSUEZFVDZ-FCHUYYIVSA-N 0 3 471.598 3.077 50 0 JGAAHN COCCN1C(=O)N(C2Cc3ccccc3C2)C(=O)C12CCN(Cc1ccccc1F)CC2 ZINC000014538540 555827880 /nfs/dbraw/zinc/82/78/80/555827880.db2.gz UCKZHBAZXAMKHC-UHFFFAOYSA-N 0 3 451.542 3.238 50 0 JGAAHN Cc1ccccc1C(=O)N1CCC([C@@]2(Cc3ccccc3)NC(=O)N(CCN3CCCC3)C2=O)CC1 ZINC000011812746 555828383 /nfs/dbraw/zinc/82/83/83/555828383.db2.gz MSJRLVDYDSYBHP-GDLZYMKVSA-N 0 3 488.632 3.476 50 0 JGAAHN COc1ccc2c(c1)CCc1cnc(-n3ncc(C(=O)N4CC[C@H](N(C)C)C4)c3C3CC3)nc1-2 ZINC000011812785 555828513 /nfs/dbraw/zinc/82/85/13/555828513.db2.gz MHLXBYYTKAUWFI-IBGZPJMESA-N 0 3 458.566 3.090 50 0 JGAAHN COCCN1C(=O)N(C2Cc3ccccc3C2)C(=O)C12CCN(Cc1c[nH]nc1-c1ccccc1)CC2 ZINC000014539441 555829312 /nfs/dbraw/zinc/82/93/12/555829312.db2.gz FZJZZAWVQOKGGT-UHFFFAOYSA-N 0 3 499.615 3.489 50 0 JGAAHN COCCN1C(=O)N(Cc2cccc(OC)c2)C(=O)C12CCN(Cc1ccc(F)c(OC)c1)CC2 ZINC000014540516 555830900 /nfs/dbraw/zinc/83/09/00/555830900.db2.gz GCHGYVRNZAZYCB-UHFFFAOYSA-N 0 3 485.556 3.288 50 0 JGAAHN CC[C@@]1(C2CCN(Cc3ccccc3OC)CC2)NC(=O)N(C[C@@H]2COc3ccccc3O2)C1=O ZINC000011840302 555833238 /nfs/dbraw/zinc/83/32/38/555833238.db2.gz SRKMWLCMLBJIBC-ZBLYBZFDSA-N 0 3 479.577 3.448 50 0 JGAAHN CCOc1ccc(CN2C[C@H](Sc3nc(C)cc(C)n3)C[C@H]2C(=O)N2CCCN(C)CC2)cc1 ZINC000011841791 555834238 /nfs/dbraw/zinc/83/42/38/555834238.db2.gz DRQDWWREQHRLKC-RPWUZVMVSA-N 0 3 483.682 3.391 50 0 JGAAHN CN1CCN([C@@H]2CCN(Cc3ccccc3)C[C@@H]2CCC(=O)NCCc2cccc(F)c2)CC1 ZINC000020600794 555841682 /nfs/dbraw/zinc/84/16/82/555841682.db2.gz PRAFMVKYAVRUCF-AHKZPQOWSA-N 0 3 466.645 3.403 50 0 JGAAHN COc1ccc(CC(=O)N2CCC3(C[C@H]3C(=O)N3CCN(C4CCCCC4)CC3)CC2)cc1OC ZINC000020600252 555841703 /nfs/dbraw/zinc/84/17/03/555841703.db2.gz MGLVQWLKGIQGJR-QHCPKHFHSA-N 0 3 483.653 3.352 50 0 JGAAHN COCCN1CCC(CNC(=O)c2cnn(-c3ncc4c(n3)-c3ccccc3CC4)c2C2CC2)CC1 ZINC000011881737 555850177 /nfs/dbraw/zinc/85/01/77/555850177.db2.gz BQKXDHSBRIMQKF-UHFFFAOYSA-N 0 3 486.620 3.394 50 0 JGAAHN CN(C)CCN1C(=O)C[C@@](CC(=O)N2CCC[C@@H](c3ccccc3)C2)(c2ccccc2F)C1=O ZINC000011882408 555851074 /nfs/dbraw/zinc/85/10/74/555851074.db2.gz WXIXAYQWWYHLJC-ZBLYBZFDSA-N 0 3 465.569 3.180 50 0 JGAAHN COc1ccc(C(=O)NCCc2nnc3n2CCN(CC[C@H](C)c2ccc(C)o2)CC3)cc1 ZINC000015067140 555867065 /nfs/dbraw/zinc/86/70/65/555867065.db2.gz QGJSAVULIGYDCT-SFHVURJKSA-N 0 3 451.571 3.213 50 0 JGAAHN COc1ccc2c(c1)-c1nc(-n3ncc(C(=O)N4CC[C@H](N(C)C)C4)c3C3CC3)ncc1CC2 ZINC000015069710 555869537 /nfs/dbraw/zinc/86/95/37/555869537.db2.gz YDCZWNDQNOKZST-IBGZPJMESA-N 0 3 458.566 3.090 50 0 JGAAHN Cc1ccc([C@@H](CNC(=O)c2ccc(N3C(=O)CCS3(=O)=O)cc2)N2CCCCC2)cc1 ZINC000011998137 555880804 /nfs/dbraw/zinc/88/08/04/555880804.db2.gz RSKUXRYRKKMNKP-JOCHJYFZSA-N 0 3 455.580 3.019 50 0 JGAAHN CN(C)CCN1C(=O)C[C@@](CC(=O)N2CCCC[C@@H]2c2nccs2)(c2ccccc2Cl)C1=O ZINC000011998478 555880986 /nfs/dbraw/zinc/88/09/86/555880986.db2.gz SPFVIOVYSFEINW-DVECYGJZSA-N 0 3 489.041 3.499 50 0 JGAAHN O=C(NC[C@@H](c1cccs1)N1CCCCCC1)c1ccc(N2C(=O)CCS2(=O)=O)cc1 ZINC000011998605 555881542 /nfs/dbraw/zinc/88/15/42/555881542.db2.gz DCXOCGQQKOBRHZ-IBGZPJMESA-N 0 3 461.609 3.162 50 0 JGAAHN C[C@H](CNC(=O)CN1CCCCC1)Oc1ccc(CN2CCN(c3ccccc3)CC2)cc1 ZINC000012100095 555907475 /nfs/dbraw/zinc/90/74/75/555907475.db2.gz ZWXLSQHQPJVOQR-HSZRJFAPSA-N 0 3 450.627 3.378 50 0 JGAAHN CC(C)C[C@H](N[C@H]1CCc2c(sc3ncn(CCCc4ccccc4)c(=O)c32)C1)C(N)=O ZINC000012159886 555930362 /nfs/dbraw/zinc/93/03/62/555930362.db2.gz LDRSMJHWZWYCSF-ICSRJNTNSA-N 0 3 452.624 3.438 50 0 JGAAHN COc1cc2cc(CNCCCN3CCCC3=O)c(=O)n(Cc3ccc(C)cc3)c2cc1OC ZINC000012164272 555932205 /nfs/dbraw/zinc/93/22/05/555932205.db2.gz WHGUVUPJCCXLFH-UHFFFAOYSA-N 0 3 463.578 3.478 50 0 JGAAHN COc1ccc(/C=C/CN2CCc3nnc([C@H](C)NC(=O)COc4ccccc4)n3CC2)cc1 ZINC000012190719 555937811 /nfs/dbraw/zinc/93/78/11/555937811.db2.gz FGIQUSLXAJZPSL-YJJPMGAVSA-N 0 3 461.566 3.114 50 0 JGAAHN O=C(c1ccc(N2CCC(NCc3cnn(Cc4ccccc4)c3)CC2)cc1)N1CCOCC1 ZINC000012247860 555946995 /nfs/dbraw/zinc/94/69/95/555946995.db2.gz MSHYQPUQSISWOX-UHFFFAOYSA-N 0 3 459.594 3.162 50 0 JGAAHN CCN1CCC[C@H]1CNC(=O)[C@@H](NC(=O)c1ccc2nc(-n3cccc3)sc2c1)C(C)C ZINC000012321370 555951707 /nfs/dbraw/zinc/95/17/07/555951707.db2.gz KLJUFHBTLRMBAE-RXVVDRJESA-N 0 3 453.612 3.442 50 0 JGAAHN CCOC(=O)c1ccc(N2C(=O)C[C@@H](NC3CCN(c4ncc(Cl)cc4Cl)CC3)C2=O)cc1 ZINC000012363529 555958846 /nfs/dbraw/zinc/95/88/46/555958846.db2.gz STQGXWNDDBLNJT-LJQANCHMSA-N 0 3 491.375 3.456 50 0 JGAAHN CCCCCCn1c(N2CCN(Cc3cccc4ccccc43)CC2)nc2c1c(=O)[nH]c(=O)n2C ZINC000022855258 555962584 /nfs/dbraw/zinc/96/25/84/555962584.db2.gz PETRAFKXPIXFLA-UHFFFAOYSA-N 0 3 474.609 3.479 50 0 JGAAHN Cc1oc2ncnc(N3CCOCC3)c2c1C(=O)NCC1CCN(Cc2ccc(F)cc2)CC1 ZINC000015727781 555966810 /nfs/dbraw/zinc/96/68/10/555966810.db2.gz YLVVQFANRNYENM-UHFFFAOYSA-N 0 3 467.545 3.149 50 0 JGAAHN CC[NH+]1CCN(Cc2ccc([N-]S(=O)(=O)c3ccc4c(c3)NC(=O)[C@@H](C)CS4)cc2)CC1 ZINC000022937277 555990353 /nfs/dbraw/zinc/99/03/53/555990353.db2.gz BGYNKDNSWZCWGM-KRWDZBQOSA-N 0 3 474.652 3.305 50 0 JGAAHN O=C(NCCCN1CCN(Cc2ccccc2)CC1)C1CCN(c2nc3cccnc3s2)CC1 ZINC000022937552 555990649 /nfs/dbraw/zinc/99/06/49/555990649.db2.gz GLSQCOVEBPTTKC-UHFFFAOYSA-N 0 3 478.666 3.232 50 0 JGAAHN COc1cc(C)c(CN2CCc3nnc([C@H](NC(=O)c4ccccn4)C(C)C)n3CC2)cc1C ZINC000023129080 556018476 /nfs/dbraw/zinc/01/84/76/556018476.db2.gz UCPRDHYZKQTCFI-XMMPIXPASA-N 0 3 462.598 3.484 50 0 JGAAHN O=C(NCCc1nnc2n1CCN(Cc1ccc3c(c1)Cc1ccccc1-3)CC2)c1ccco1 ZINC000023129254 556018558 /nfs/dbraw/zinc/01/85/58/556018558.db2.gz YBHNHLNEFGBDHQ-UHFFFAOYSA-N 0 3 453.546 3.473 50 0 JGAAHN CCOc1ccc(CN2CCC(C(=O)N3CCN(Cc4ccc5c(c4)OCO5)CC3)CC2)cc1 ZINC000015856106 556024279 /nfs/dbraw/zinc/02/42/79/556024279.db2.gz BHDIWXKZXQEYJD-UHFFFAOYSA-N 0 3 465.594 3.370 50 0 JGAAHN COCCNC(=O)[C@@H]1C[C@@H](NCc2ccccc2C(F)(F)F)CN1C1Cc2ccccc2C1 ZINC000023338680 556047748 /nfs/dbraw/zinc/04/77/48/556047748.db2.gz WBOSQQOASFWBAC-OFNKIYASSA-N 0 3 461.528 3.168 50 0 JGAAHN COc1ccc(-c2nn(CN3CCN(c4ccncc4)CC3)c(=S)n2C[C@@H]2CCCO2)cc1 ZINC000023847909 556092341 /nfs/dbraw/zinc/09/23/41/556092341.db2.gz MSWIALXJNHHRHH-QFIPXVFZSA-N 0 3 466.611 3.443 50 0 JGAAHN CCN(CC)[C@@H](CNS(=O)(=O)c1ccc(C(=O)NCC(F)(F)F)cc1)Cc1ccccc1 ZINC000024688301 556145333 /nfs/dbraw/zinc/14/53/33/556145333.db2.gz FXAMEYWJMCIJJG-LJQANCHMSA-N 0 3 471.545 3.210 50 0 JGAAHN Cc1nn([C@@H]2CCS(=O)(=O)C2)c2nc(-c3ccc(F)cc3)cc(C(=O)N(C)C3CCN(C)CC3)c12 ZINC000016992676 556196114 /nfs/dbraw/zinc/19/61/14/556196114.db2.gz KBGMHNJVDUBHIA-HXUWFJFHSA-N 0 3 499.612 3.072 50 0 JGAAHN CCc1ccc([C@H](CNC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)N(C)C)cc1 ZINC000013021712 556211814 /nfs/dbraw/zinc/21/18/14/556211814.db2.gz OEELNYODOROJIL-OFNKIYASSA-N 0 3 461.603 3.208 50 0 JGAAHN CCc1ccc([C@@H](CNC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)N(C)C)cc1 ZINC000013021710 556211873 /nfs/dbraw/zinc/21/18/73/556211873.db2.gz OEELNYODOROJIL-NFBKMPQASA-N 0 3 461.603 3.208 50 0 JGAAHN CCC[C@@H]1[C@H]2C(=O)N(c3sc(C(=O)OCC)c(C)c3C(=O)OC)C(=O)C2ON1c1ccccc1 ZINC000017885581 556269699 /nfs/dbraw/zinc/26/96/99/556269699.db2.gz BZRJBFDWPMQDDN-NXHRZFHOSA-N 0 3 486.546 3.498 50 0 JGAAHN CCN1CCC(NC(=O)CSc2nnc(-c3c[nH]c4ccccc43)n2C[C@@H]2CCCO2)CC1 ZINC000027240940 556275705 /nfs/dbraw/zinc/27/57/05/556275705.db2.gz RZZHRHPRWUAQRF-SFHVURJKSA-N 0 3 468.627 3.298 50 0 JGAAHN CCCn1c(=O)[nH]nc1SCC(=O)Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1 ZINC000018523989 556322226 /nfs/dbraw/zinc/32/22/26/556322226.db2.gz PDHXPXPRBZFDEV-UHFFFAOYSA-N 0 3 466.611 3.034 50 0 JGAAHN CN(C)C[C@H](NC(=O)CCCN1C(=O)c2ccc(Br)cc2C1=O)c1ccccc1 ZINC000029954437 556360356 /nfs/dbraw/zinc/36/03/56/556360356.db2.gz FTOVIAKDFVZULI-IBGZPJMESA-N 0 3 458.356 3.244 50 0 JGAAHN CN(C)Cc1ccc(-c2ccccc2CNC(=O)C2CCN(c3ccc4nncn4n3)CC2)cc1 ZINC000030804085 556374792 /nfs/dbraw/zinc/37/47/92/556374792.db2.gz BZLCUFNQSILXOU-UHFFFAOYSA-N 0 3 469.593 3.386 50 0 JGAAHN COCCn1c(SCC(=O)NC[C@H](c2ccccc2)N(C)C)nc2sc3c(c2c1=O)CCC3 ZINC000032691754 556471193 /nfs/dbraw/zinc/47/11/93/556471193.db2.gz OHWJBUXOEMNDOM-GOSISDBHSA-N 0 3 486.663 3.104 50 0 JGAAHN COc1ccc(-n2ncc(C(=O)NC[C@H](c3ccccc3)N3CCCC3)c2C(F)(F)F)nn1 ZINC000032909364 556532789 /nfs/dbraw/zinc/53/27/89/556532789.db2.gz BRENCFNVJONODB-QGZVFWFLSA-N 0 3 460.460 3.257 50 0 JGAAHN C[C@@H]1CCCCN1CCNC(=O)C1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 ZINC000032931441 556546290 /nfs/dbraw/zinc/54/62/90/556546290.db2.gz JPTFOUFLYJIDJB-OAHLLOKOSA-N 0 3 462.443 3.385 50 0 JGAAHN C[C@H]1CCCCN1CCNC(=O)C1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 ZINC000032931442 556546349 /nfs/dbraw/zinc/54/63/49/556546349.db2.gz JPTFOUFLYJIDJB-HNNXBMFYSA-N 0 3 462.443 3.385 50 0 JGAAHN CCN1CCN(Cc2ccc(CNC(=O)[C@@H]3CC(=O)N(c4cccc(SC)c4)C3)cc2)CC1 ZINC000032933060 556548280 /nfs/dbraw/zinc/54/82/80/556548280.db2.gz HPEFAWZIIUXBRQ-JOCHJYFZSA-N 0 3 466.651 3.215 50 0 JGAAHN CCN1CCN2c3cccc(Cl)c3CC3(C(=O)N(CC(C)C)C(=O)N(CC(C)C)C3=O)[C@@H]2C1 ZINC000057111345 569594369 /nfs/dbraw/zinc/59/43/69/569594369.db2.gz JTMJCEXANCDGAI-NRFANRHFSA-N 0 3 475.033 3.496 50 0 JGAAHN Cc1cccc(N2CCN(CCCNC(=O)Cn3c4cc(C)c(C)cc4nc(C)c3=O)C[C@H]2C)c1 ZINC000032974680 569605576 /nfs/dbraw/zinc/60/55/76/569605576.db2.gz VXDMZRCSCBJMHD-JOCHJYFZSA-N 0 3 475.637 3.347 50 0 JGAAHN COc1cc(NC(=O)N2CCN(c3cc(N4CCCCC4)nc(C)n3)CC2)cc(OC)c1OC ZINC000033014192 569617989 /nfs/dbraw/zinc/61/79/89/569617989.db2.gz SVPYDTLYZBXKON-UHFFFAOYSA-N 0 3 470.574 3.155 50 0 JGAAHN O=C(/C=C\c1ccc(F)cc1)NCCCN1CCN(CCCNC(=O)/C=C\c2ccc(F)cc2)CC1 ZINC000033456584 569626512 /nfs/dbraw/zinc/62/65/12/569626512.db2.gz ZMXGFHMNCLEKBG-PVRNWPCDSA-N 0 3 496.602 3.322 50 0 JGAAHN COCCN1CCN(C(=O)c2ccc(C)nc2C2CCN(Cc3cc(C)c(C)o3)CC2)CC1 ZINC000034730247 569653365 /nfs/dbraw/zinc/65/33/65/569653365.db2.gz MVKARFOKYZVBOA-UHFFFAOYSA-N 0 3 454.615 3.384 50 0 JGAAHN Cc1ccc(CN2CCN(C(=O)c3[nH]nc4c3CN(C(=O)c3cccc(C)c3)CC4)CC2)cc1 ZINC000034809658 569661294 /nfs/dbraw/zinc/66/12/94/569661294.db2.gz ZNKBXTWMNOSFLS-UHFFFAOYSA-N 0 3 457.578 3.183 50 0 JGAAHN Cc1ccc2oc(=O)n(Cc3noc(C(=O)NCC4CCN(Cc5ccc(F)cc5)CC4)n3)c2c1 ZINC000065111785 569664720 /nfs/dbraw/zinc/66/47/20/569664720.db2.gz JCWMGGFTKPVYTC-UHFFFAOYSA-N 0 3 479.512 3.115 50 0 JGAAHN O=C(NCCN1CCCC1)c1nnc(N2CCN(c3cccc(Cl)c3)CC2)c2ccccc21 ZINC000034838672 569666770 /nfs/dbraw/zinc/66/67/70/569666770.db2.gz XCHMFTOEZLVRHB-UHFFFAOYSA-N 0 3 465.001 3.435 50 0 JGAAHN CCOC(=O)C1=C(CN2CCN(C3CCCCC3)CC2)NC(=O)N[C@H]1c1ccccc1OCC ZINC000067286849 569684011 /nfs/dbraw/zinc/68/40/11/569684011.db2.gz IVMKPGWCFWERLN-DEOSSOPVSA-N 0 3 470.614 3.207 50 0 JGAAHN COc1ccc(Cl)cc1S(=O)(=O)c1cnc(N2CCC(N3CCCCC3)CC2)nc1N ZINC000067336237 569687664 /nfs/dbraw/zinc/68/76/64/569687664.db2.gz IOVWIIZTCBCUJL-UHFFFAOYSA-N 0 3 466.007 3.008 50 0 JGAAHN CN1CCC(Oc2ccc(NC(=O)c3cc(S(=O)(=O)N4CCOCC4)ccc3Cl)cc2)CC1 ZINC000067629637 569688946 /nfs/dbraw/zinc/68/89/46/569688946.db2.gz LZJBYCKNORAPGB-UHFFFAOYSA-N 0 3 494.013 3.086 50 0 JGAAHN O=C(CCN(C(=O)c1ccc(Cl)cc1)C1CCN(Cc2ccccc2)CC1)N1CCNCC1 ZINC000035421918 569692362 /nfs/dbraw/zinc/69/23/62/569692362.db2.gz WFFLCRHNXMOZSM-UHFFFAOYSA-N 0 3 469.029 3.269 50 0 JGAAHN CCN(CC)S(=O)(=O)c1ccc2c(cc(C(=O)N3CCN(C4CCCCC4)CC3)n2C)c1 ZINC000035509455 569697840 /nfs/dbraw/zinc/69/78/40/569697840.db2.gz STBZBAXGCWFSGJ-UHFFFAOYSA-N 0 3 460.644 3.299 50 0 JGAAHN CCn1c(C(=O)NCCCN(C)Cc2ccccc2)cc2cc(S(=O)(=O)N(C)C)ccc21 ZINC000035561288 569704309 /nfs/dbraw/zinc/70/43/09/569704309.db2.gz RECYPGCRHJUNSU-UHFFFAOYSA-N 0 3 456.612 3.163 50 0 JGAAHN CCN1CCN(CCCNC(=O)C2CCN(Cc3cn(C)c4ccc(Cl)cc34)CC2)CC1 ZINC000035562281 569704772 /nfs/dbraw/zinc/70/47/72/569704772.db2.gz OSPHXLYDRADTDE-UHFFFAOYSA-N 0 3 460.066 3.188 50 0 JGAAHN CN(C)CCNC(=O)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CCN(Cc3ccc(F)cc3)C[C@H]12 ZINC000035871448 569718802 /nfs/dbraw/zinc/71/88/02/569718802.db2.gz BZMVDQLVXDFWIR-JTHBVZDNSA-N 0 3 478.534 3.385 50 0 JGAAHN Cn1c(CN2CCCCCC2)cc(=O)c(O)c1CN1CCN(Cc2ccccc2Cl)CC1 ZINC000095474335 569723981 /nfs/dbraw/zinc/72/39/81/569723981.db2.gz SMOKYAOFYGTNDL-UHFFFAOYSA-N 0 3 459.034 3.438 50 0 JGAAHN COc1ccc([C@H](NCC(=O)NCCNC(=O)CN[C@@H](c2ccc(OC)cc2)C(C)C)C(C)C)cc1 ZINC000095939046 569730657 /nfs/dbraw/zinc/73/06/57/569730657.db2.gz MXDZFCKKFLSGSU-VSGBNLITSA-N 0 3 498.668 3.210 50 0 JGAAHN CCOc1ccc(N2C(=O)C[C@H](NC3CCN(C(=O)c4cccc(Cl)c4)CC3)C2=O)cc1 ZINC000100191208 569755034 /nfs/dbraw/zinc/75/50/34/569755034.db2.gz NBJROFHAWJAQFR-NRFANRHFSA-N 0 3 455.942 3.265 50 0 JGAAHN CCc1nc(C)nc(N2CCN(C[C@@H](O)CN3CCCCC3)CC2)c1Cc1ccc(C)cc1 ZINC000036340666 569764020 /nfs/dbraw/zinc/76/40/20/569764020.db2.gz MJEBIFPFHOBEIZ-DEOSSOPVSA-N 0 3 451.659 3.215 50 0 JGAAHN COc1ccc(S(=O)(=O)Oc2cc(CN(CCN(C)C)C(=O)CC(C)C)ccc2OC)cc1 ZINC000037400346 569788112 /nfs/dbraw/zinc/78/81/12/569788112.db2.gz OKWKLFMDCOGZIG-UHFFFAOYSA-N 0 3 478.611 3.408 50 0 JGAAHN C[C@H](C(=O)NCCN1CCCCC1)N1C(=O)COc2ccc(C(=O)COc3ccc(Cl)cc3)cc21 ZINC000037511307 569791543 /nfs/dbraw/zinc/79/15/43/569791543.db2.gz OZYAWZSILIFJMH-GOSISDBHSA-N 0 3 499.995 3.318 50 0 JGAAHN C[C@H](C(=O)NCCN1CCCCC1)N1C(=O)COc2ccc(C(=O)COc3ccccc3Cl)cc21 ZINC000037512222 569792047 /nfs/dbraw/zinc/79/20/47/569792047.db2.gz RBKNEIVKSQJZCY-GOSISDBHSA-N 0 3 499.995 3.318 50 0 JGAAHN Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N[C@H](CN2CCc3ccccc3C2)C(C)(C)C)cc1 ZINC000040146931 569818395 /nfs/dbraw/zinc/81/83/95/569818395.db2.gz BPVKCZTXGHFKMV-WMZHIEFXSA-N 0 3 457.640 3.251 50 0 JGAAHN CCC[C@@H]1[C@H]2C(=O)N(c3sc(C(=O)OCC)c(C)c3C(=O)OC)C(=O)C2ON1c1ccccc1 ZINC000102734064 569818519 /nfs/dbraw/zinc/81/85/19/569818519.db2.gz BZRJBFDWPMQDDN-KBAYOESNSA-N 0 3 486.546 3.498 50 0 JGAAHN CC(C)(C)[C@H](CN1CCc2ccccc2C1)NC(=O)NCc1ccc(N2CCOCC2)nc1 ZINC000040150040 569819564 /nfs/dbraw/zinc/81/95/64/569819564.db2.gz WYTGLHSWJZJUCB-QHCPKHFHSA-N 0 3 451.615 3.190 50 0 JGAAHN CCOC(=O)C1=C(C)N=C2SC=C(CC(=O)N3CC[C@@H](N(C)C)C3)N2[C@H]1c1cccc(OC)c1 ZINC000103052702 569832287 /nfs/dbraw/zinc/83/22/87/569832287.db2.gz ATBQTINIQACGFX-JPYJTQIMSA-N 0 3 484.622 3.386 50 0 JGAAHN O=C1N[C@]2(CCCN(Cc3ccccc3)C2)C(=O)N1CN1CCN(c2cccc(Cl)c2)CC1 ZINC000048324297 569845786 /nfs/dbraw/zinc/84/57/86/569845786.db2.gz JQEWHYHALUOIOL-VWLOTQADSA-N 0 3 468.001 3.006 50 0 JGAAHN Cc1cc(CN2CCC(CNC(=O)C(=O)Nc3cccc(N4CCCCC4=O)c3)CC2)c(C)o1 ZINC000049522538 569848295 /nfs/dbraw/zinc/84/82/95/569848295.db2.gz OURVBQHINZQSCS-UHFFFAOYSA-N 0 3 466.582 3.380 50 0 JGAAHN C[C@@H]1CCC[C@H](C)N1CCNC(=O)[C@H]1[C@H]2C(=O)N(Cc3ccccc3Cl)C[C@@]23C=C[C@@H]1O3 ZINC000225446703 569997308 /nfs/dbraw/zinc/99/73/08/569997308.db2.gz BGRSGIWVTLNASZ-ZWUAEGAJSA-N 0 3 458.002 3.001 50 0 JGAAHN C[C@@H](C(=O)N(C)Cc1cccc(F)c1)N1CCC[C@@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000229741289 570041134 /nfs/dbraw/zinc/04/11/34/570041134.db2.gz QQDLNOHAFMVKNX-GMAHTHKFSA-N 0 3 453.606 3.102 50 0 JGAAHN C[C@H](C(=O)N(C)Cc1cccc(F)c1)N1CCC[C@@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000229741294 570041162 /nfs/dbraw/zinc/04/11/62/570041162.db2.gz QQDLNOHAFMVKNX-GGAORHGYSA-N 0 3 453.606 3.102 50 0 JGAAHN CCCCn1c(N)c(N(Cc2ccccc2)C(=O)CN2CCC[C@@H]3CCCC[C@H]32)c(=O)[nH]c1=O ZINC000229983133 570043049 /nfs/dbraw/zinc/04/30/49/570043049.db2.gz NDDBMDSCFDLVGH-LEWJYISDSA-N 0 3 467.614 3.107 50 0 JGAAHN COc1ccc([C@@H]2C[C@@H](C(F)(F)F)n3ncc(C(=O)N4CCN5CCC[C@H]5C4)c3N2)cc1OC ZINC000239339105 570051028 /nfs/dbraw/zinc/05/10/28/570051028.db2.gz LRWRAZXGNVOFJN-KNBMTAEXSA-N 0 3 479.503 3.481 50 0 JGAAHN O=C([C@@H]1CCCN(Cc2nc3ccccc3n2Cc2ccc(Cl)cc2)C1)N1CCNCC1 ZINC000247870194 570070417 /nfs/dbraw/zinc/07/04/17/570070417.db2.gz QKUKREUZXPOZAA-HXUWFJFHSA-N 0 3 452.002 3.382 50 0 JGAAHN Cc1ncnc(C)c1C(=O)N1CCC(N2CCN(c3ccc(C(F)(F)F)cn3)C[C@H]2C)CC1 ZINC000252484764 570081710 /nfs/dbraw/zinc/08/17/10/570081710.db2.gz GGZUFHOHIXIYOI-OAHLLOKOSA-N 0 3 462.520 3.323 50 0 JGAAHN Cn1nnnc1SCCCNCc1nn(Cc2cccc(Cl)c2)nc1-c1ccccc1 ZINC000261492194 570169968 /nfs/dbraw/zinc/16/99/68/570169968.db2.gz ULUWMHOTQNFLAW-UHFFFAOYSA-N 0 3 454.991 3.442 50 0 JGAAHN COC(=O)CC[C@H]1CN(Cc2ccc(O)c(OC)c2)CC[C@H]1N1CCN(c2ccccc2OC)CC1 ZINC000299759828 570174486 /nfs/dbraw/zinc/17/44/86/570174486.db2.gz NNCREDHNBWTHOT-XZOQPEGZSA-N 0 3 497.636 3.375 50 0 JGAAHN COc1cc(C[C@@]2(CCC(=O)NCCN3CC[C@@H](c4ccccc4)C3)CCC(=O)N2)ccc1F ZINC000299801457 570177496 /nfs/dbraw/zinc/17/74/96/570177496.db2.gz YTPGZOHJEVAESC-AJTFRIOCSA-N 0 3 467.585 3.412 50 0 JGAAHN CCCCNC(=O)CC1N=C2c3ccccc3N=C(SCC(=O)Nc3ccc(OC)cc3)N2C1=O ZINC000002968066 194185588 /nfs/dbraw/zinc/18/55/88/194185588.db2.gz HHHKYPIDUUJJFR-FQEVSTJZSA-N 0 3 493.589 3.332 50 0 JGAAHN CN(C)[C@@H](CNC(=O)c1cccc(S(=O)(=O)N2CCc3ccccc3C2)c1)c1ccccc1 ZINC000003290513 194266862 /nfs/dbraw/zinc/26/68/62/194266862.db2.gz ZVBQKIJJCRJGPY-VWLOTQADSA-N 0 3 463.603 3.466 50 0 JGAAHN COc1cc([C@@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2CCCN(C)C)cc(OC)c1OC ZINC000003655680 194352594 /nfs/dbraw/zinc/35/25/94/194352594.db2.gz NNTCVPHXPDILGV-OAQYLSRUSA-N 0 3 470.497 3.455 50 0 JGAAHN Cc1ccc(C(=O)NC2CCN(Cc3ccccc3)CC2)cc1NC1=N[C@H]2CS(=O)(=O)C[C@@H]2S1 ZINC000009860678 195001007 /nfs/dbraw/zinc/00/10/07/195001007.db2.gz SAMLBJKVLZFXED-GOTSBHOMSA-N 0 3 498.674 3.070 50 0 JGAAHN O=C(c1ccc(Cl)c(S(=O)(=O)N2CCc3ccccc3C2)c1)N1CCN(c2ccncc2)CC1 ZINC000012761525 195111124 /nfs/dbraw/zinc/11/11/24/195111124.db2.gz UEDALTCEUKIQPZ-UHFFFAOYSA-N 0 3 497.020 3.444 50 0 JGAAHN COc1cc(C(=O)N[C@@H](C)C(=O)NC[C@H](c2cccs2)N2CCC(C)CC2)cc(OC)c1OC ZINC000012770668 195117155 /nfs/dbraw/zinc/11/71/55/195117155.db2.gz OERMZKBMWFLKHH-PKOBYXMFSA-N 0 3 489.638 3.482 50 0 JGAAHN COC(=O)c1sc(NC(=O)CCN(C)Cc2ccc(OC)c(OC)c2)c(C(=O)OC)c1C ZINC000012780324 195123898 /nfs/dbraw/zinc/12/38/98/195123898.db2.gz CTWPRMKHMVMENI-UHFFFAOYSA-N 0 3 464.540 3.108 50 0 JGAAHN CCOc1ccc(S(=O)(=O)N2CCC(C(=O)NC[C@@H](c3ccccc3)N3CCCC3)CC2)cc1 ZINC000012801518 195139645 /nfs/dbraw/zinc/13/96/45/195139645.db2.gz NFYWBJJGNJWGAA-VWLOTQADSA-N 0 3 485.650 3.439 50 0 JGAAHN CCOC(=O)c1c(C)n(C)c(C)c1S(=O)(=O)N1CCC(CN2CCc3ccccc3C2)CC1 ZINC000020982368 195259355 /nfs/dbraw/zinc/25/93/55/195259355.db2.gz BXUADXFOQHDRIX-UHFFFAOYSA-N 0 3 473.639 3.278 50 0 JGAAHN C[C@@H]1CCCCN1CCCNC(=O)C[S@@](=O)Cc1cnn(-c2ccccc2)c1-n1cccc1 ZINC000021109911 195277581 /nfs/dbraw/zinc/27/75/81/195277581.db2.gz SUYOHEFFNWVPNF-GSTQUKTASA-N 0 3 467.639 3.292 50 0 JGAAHN O=C(Cn1ncc(=O)c2ccccc21)Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1 ZINC000058171236 195370814 /nfs/dbraw/zinc/37/08/14/195370814.db2.gz BGGMAHKEQHECTO-UHFFFAOYSA-N 0 3 453.546 3.357 50 0 JGAAHN O=C(N[C@@H](Cc1ccccc1)CN1CCCCC1)c1cccc(S(=O)(=O)NCC2CC2)c1 ZINC000058314979 195377297 /nfs/dbraw/zinc/37/72/97/195377297.db2.gz LJFDMRDBWDMCEM-QHCPKHFHSA-N 0 3 455.624 3.202 50 0 JGAAHN Cc1nn(-c2ccccc2)c2c1nc(CCC(=O)NC1CCN(Cc3ccccc3)CC1)c(=O)n2C ZINC000021640843 195318654 /nfs/dbraw/zinc/31/86/54/195318654.db2.gz UQGKALJCAOCMGB-UHFFFAOYSA-N 0 3 484.604 3.141 50 0 JGAAHN CC(C)NC(=O)c1cc([N-]S(=O)(=O)c2ccc(C(C)(C)C)cc2)ccc1N1CC[NH2+]CC1 ZINC000033121228 519716250 /nfs/dbraw/zinc/71/62/50/519716250.db2.gz WJDOJYCNALIGBS-UHFFFAOYSA-N 0 3 458.628 3.333 50 0 JGAAHN CCCN1CCN(CCCN2C(=O)c3cc4occc4n3C[C@]2(C)C(=O)NC2CCCCC2)CC1 ZINC000021810719 519857677 /nfs/dbraw/zinc/85/76/77/519857677.db2.gz BFVOZOHJFAYWMQ-HHHXNRCGSA-N 0 3 483.657 3.315 50 0 JGAAHN CCCN1CCN(CCCNC(=O)[C@H]2c3ccccc3C(=O)N(CCOC)[C@@H]2c2cccs2)CC1 ZINC000020508174 519858229 /nfs/dbraw/zinc/85/82/29/519858229.db2.gz YIFJWCXWHQZUSY-LOSJGSFVSA-N 0 3 498.693 3.209 50 0 JGAAHN CCCN1CCN(CCCNC(=O)[C@H](CC)n2nc(C)c3sc4ccccc4c3c2=O)CC1 ZINC000020467081 519858261 /nfs/dbraw/zinc/85/82/61/519858261.db2.gz QUONJMFSXROQNV-FQEVSTJZSA-N 0 3 469.655 3.405 50 0 JGAAHN CCOC(=O)C1=C(CNCC23CC4CC(CC(C4)C2)C3)NC(=O)N[C@@H]1c1ccc2c(c1)OCO2 ZINC000004502039 520516974 /nfs/dbraw/zinc/51/69/74/520516974.db2.gz PZUQNBSYESHTBK-KCBBTTLTSA-N 0 3 467.566 3.392 50 0 JGAAHN CCOC(=O)C1=C(CNCCc2ccc(OC)c(OC)c2)NC(=O)N[C@H]1c1cc(C)ccc1C ZINC000012412505 520519269 /nfs/dbraw/zinc/51/92/69/520519269.db2.gz LLRAKZJIKOFULK-DEOSSOPVSA-N 0 3 467.566 3.324 50 0 JGAAHN CCN(CC)C(=O)[C@H]1CCCN(Cc2ccc(C(=O)NCC3C4CC5CC(C4)CC3C5)c(=O)[nH]2)C1 ZINC000012333844 520541368 /nfs/dbraw/zinc/54/13/68/520541368.db2.gz RLVVVHYQQNYRRN-AJRKZACGSA-N 0 3 482.669 3.257 50 0 JGAAHN CCN(CC)CCN(CC(=O)N1CCN(c2ccc(-c3ccccc3)nn2)CC1)C(=O)CC(C)C ZINC000036069278 520640720 /nfs/dbraw/zinc/64/07/20/520640720.db2.gz NNXMKUMKSYKPTH-UHFFFAOYSA-N 0 3 480.657 3.009 50 0 JGAAHN CC1CCN(c2ccc3nnc(CCC(=O)NCC4CCN(Cc5ccc(F)cc5)CC4)n3n2)CC1 ZINC000009430952 521042974 /nfs/dbraw/zinc/04/29/74/521042974.db2.gz JIQRYPRYOULKTB-UHFFFAOYSA-N 0 3 493.631 3.461 50 0 JGAAHN CCOc1ccc(S(=O)(=O)[N-]c2ccc(N3CC[NH2+]CC3)c(C(=O)NCc3ccccc3)c2)cc1 ZINC000033121213 521211976 /nfs/dbraw/zinc/21/19/76/521211976.db2.gz GADHNUXVVKPRQE-UHFFFAOYSA-N 0 3 494.617 3.226 50 0 JGAAHN CCC[C@]1(C2CCN(C(=O)c3ccc(F)cc3F)CC2)NC(=O)N(CC[C@@H]2CCCN2C)C1=O ZINC000014884374 521313327 /nfs/dbraw/zinc/31/33/27/521313327.db2.gz BXMVXTMLORVNFT-UQBPGWFLSA-N 0 3 476.568 3.392 50 0 JGAAHN CCN1C(=O)N(Cc2cccc(OC)c2)C(=O)C12CCN(Cc1cccc3nccnc13)CC2 ZINC000014748044 521527541 /nfs/dbraw/zinc/52/75/41/521527541.db2.gz FVCKIPVTHZEKCN-UHFFFAOYSA-N 0 3 459.550 3.457 50 0 JGAAHN CCN1CCN(CCCNC(=O)c2ccc(C[S@@](=O)c3ccc(Br)cc3)o2)CC1 ZINC000020514777 521680709 /nfs/dbraw/zinc/68/07/09/521680709.db2.gz NHICAPQQJUYIAW-LJAQVGFWSA-N 0 3 482.444 3.107 50 0 JGAAHN COc1cc(CN2CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC2)cc(Br)c1[O-] ZINC000009833619 522364431 /nfs/dbraw/zinc/36/44/31/522364431.db2.gz YFMBIGRYRZAEMX-UHFFFAOYSA-N 0 3 456.425 3.079 50 0 JGAAHN COC(=O)C1CCN(Cc2ccc3c(c2)CN(C(=O)CCc2nc4ccc(F)cc4[nH]2)CCO3)CC1 ZINC000012246453 522914567 /nfs/dbraw/zinc/91/45/67/522914567.db2.gz PIGAAFQPJTXGAH-UHFFFAOYSA-N 0 3 494.567 3.441 50 0 JGAAHN COCCCN(Cc1c(-c2ccccc2)noc1N1CCOCC1)C[C@@H](O)COCc1ccco1 ZINC000036150959 523263467 /nfs/dbraw/zinc/26/34/67/523263467.db2.gz GXJRGASKBRKYSX-JOCHJYFZSA-N 0 3 485.581 3.187 50 0 JGAAHN COc1ccc(-c2noc(CCc3nnc4ccc(N5CCN(C6CCCCC6)CC5)nn43)n2)cc1 ZINC000033279897 523284024 /nfs/dbraw/zinc/28/40/24/523284024.db2.gz GCGFBUNPVLPCCS-UHFFFAOYSA-N 0 3 488.596 3.423 50 0 JGAAHN CN(Cc1ccccc1)C(=O)c1cc([N-]S(=O)(=O)c2ccc(F)cc2)ccc1N1CC[NH2+]CC1 ZINC000021664286 523337881 /nfs/dbraw/zinc/33/78/81/523337881.db2.gz CQYCPPWKPPBWCG-UHFFFAOYSA-N 0 3 482.581 3.308 50 0 JGAAHN CCn1nc(C)c(CN2CCC([C@@]3(CC)NC(=O)N(C[C@H]4COc5ccccc5O4)C3=O)CC2)c1C ZINC000014990844 523641255 /nfs/dbraw/zinc/64/12/55/523641255.db2.gz QLCXUSOXSWARLM-KDYSTLNUSA-N 0 3 495.624 3.272 50 0 JGAAHN COCCN1C(=O)N(CCc2ccccc2)C(=O)C12CCN(Cc1ccc(NC(C)=O)cc1)CC2 ZINC000014751199 523801922 /nfs/dbraw/zinc/80/19/22/523801922.db2.gz RLVQBICNFSRCKY-UHFFFAOYSA-N 0 3 478.593 3.133 50 0 JGAAHN COCCN1C(=O)N(CCc2ccccc2)C2(CCN(Cc3cccc(OC)c3)CC2)C1=O ZINC000014732159 523801969 /nfs/dbraw/zinc/80/19/69/523801969.db2.gz JKRHIFIBIPIRJM-UHFFFAOYSA-N 0 3 451.567 3.183 50 0 JGAAHN COCCN1C(=O)N(Cc2cccc(OC)c2)C(=O)C12CCN(Cc1cccc3nccnc13)CC2 ZINC000014745158 523802096 /nfs/dbraw/zinc/80/20/96/523802096.db2.gz NRZFWMYQOGQKRV-UHFFFAOYSA-N 0 3 489.576 3.084 50 0 JGAAHN COCCN1C(=O)N[C@](Cc2cccc(OC)c2)(C2CCN(Cc3ccccc3OC)CC2)C1=O ZINC000014995459 523806060 /nfs/dbraw/zinc/80/60/60/523806060.db2.gz FBKMIHOQWWKVMY-HHHXNRCGSA-N 0 3 481.593 3.096 50 0 JGAAHN CC[C@H](C)N(CCNC(=O)c1sc2ncnc(N3CCN(C)CC3)c2c1C)Cc1ccco1 ZINC000064957328 523936414 /nfs/dbraw/zinc/93/64/14/523936414.db2.gz SNEBESCNQRAIQE-KRWDZBQOSA-N 0 3 470.643 3.375 50 0 JGAAHN COc1ccc(CCN2C[C@@H](C(=O)NC[C@H](c3cccs3)N3CCCC3)CC2=O)cc1OC ZINC000036063156 523951833 /nfs/dbraw/zinc/95/18/33/523951833.db2.gz LNWUZIYTNWMTET-VQTJNVASSA-N 0 3 471.623 3.110 50 0 JGAAHN CCc1ccc(S(=O)(=O)[N-]c2ccc(N3CC[NH2+]CC3)c(C(=O)N3CCC(C)CC3)c2)cc1 ZINC000033121175 524016779 /nfs/dbraw/zinc/01/67/79/524016779.db2.gz WSHXPWGAVFMWEV-UHFFFAOYSA-N 0 3 470.639 3.332 50 0 JGAAHN C[C@@H](CC(=O)NC1CCN(Cc2ccccc2)CC1)CC1=NS(=O)(=O)c2ccccc2N1 ZINC000033272082 524366685 /nfs/dbraw/zinc/36/66/85/524366685.db2.gz WRFRFJGLQUWQSG-GOSISDBHSA-N 0 3 454.596 3.396 50 0 JGAAHN COc1ccc([C@@H](CNC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)N(C)C)cc1 ZINC000017913356 525181404 /nfs/dbraw/zinc/18/14/04/525181404.db2.gz GPOKCJCOQXQLPL-RUZDIDTESA-N 0 3 485.650 3.004 50 0 JGAAHN Cc1ccc(OCC(=O)c2ccc3c(c2)N([C@H](C)C(=O)NCCN2CCCCC2)C(=O)CO3)c(C)c1 ZINC000037511076 525397648 /nfs/dbraw/zinc/39/76/48/525397648.db2.gz NHZIHDRKHHONBW-OAQYLSRUSA-N 0 3 493.604 3.281 50 0 JGAAHN COc1ccc2c(c1)c(NC(C)=O)c1n2C[C@@](C)(C(=O)NC2CCCCCC2)N(CCN(C)C)C1=O ZINC000021866077 525602485 /nfs/dbraw/zinc/60/24/85/525602485.db2.gz BULOLDSVGXOTGP-MHZLTWQESA-N 0 3 497.640 3.223 50 0 JGAAHN Cc1ccc(S(=O)(=O)[N-]c2ccc(N3CC[NH2+]CC3)c(C(=O)N3CCC(C)CC3)c2)cc1C ZINC000033121133 525605326 /nfs/dbraw/zinc/60/53/26/525605326.db2.gz BFAKEDJZQXYTEK-UHFFFAOYSA-N 0 3 470.639 3.386 50 0 JGAAHN Cc1ccc(S(=O)(=O)[N-]c2ccc(N3CC[NH2+]CC3)c(C(=O)NCc3ccccc3)c2)cc1 ZINC000033121034 525610521 /nfs/dbraw/zinc/61/05/21/525610521.db2.gz HPZSTRZTWVZUQC-UHFFFAOYSA-N 0 3 464.591 3.135 50 0 JGAAHN Cc1c2c(nn1-c1ccccc1)c(C)nn([C@H](C)C(=O)NCCCN(C)Cc1ccccc1)c2=O ZINC000064971251 525938924 /nfs/dbraw/zinc/93/89/24/525938924.db2.gz QAERPBOQOPOPRG-OAQYLSRUSA-N 0 3 472.593 3.398 50 0 JGAAHN Cc1c2cnn(CC(=O)N3CCN(C4CCCCC4)CC3)c(=O)c2c(C)n1Cc1ccc(F)cc1 ZINC000020417237 525992957 /nfs/dbraw/zinc/99/29/57/525992957.db2.gz HESLNHIKHQQZJQ-UHFFFAOYSA-N 0 3 479.600 3.479 50 0 JGAAHN Cc1ccc2[nH]c(N3CCC(C(=O)NCCCN4CCN(c5ccccc5)CC4)CC3)nc2c1 ZINC000033070850 526252609 /nfs/dbraw/zinc/25/26/09/526252609.db2.gz YMFDEXPVBWGGOB-UHFFFAOYSA-N 0 3 460.626 3.416 50 0 JGAAHN Cc1ccc2nc(N3CCC(C(=O)NCCCN4CCN(c5ccccc5)CC4)CC3)[nH]c2c1 ZINC000033070850 526252612 /nfs/dbraw/zinc/25/26/12/526252612.db2.gz YMFDEXPVBWGGOB-UHFFFAOYSA-N 0 3 460.626 3.416 50 0 JGAAHN Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1CNC[C@@H](c1cccs1)N1CCC(C)CC1 ZINC000022810641 526304580 /nfs/dbraw/zinc/30/45/80/526304580.db2.gz LMEHFQWKCDMTKC-CTNGQTDRSA-N 0 3 450.674 3.484 50 0 JGAAHN Cc1nn([C@H](C)C(=O)NCCN2CCCCCC2)c(=O)c2c1nn(-c1ccccc1)c2-n1cccc1 ZINC000033058006 526305948 /nfs/dbraw/zinc/30/59/48/526305948.db2.gz WBDDSNDATHXKME-OAQYLSRUSA-N 0 3 487.608 3.235 50 0 JGAAHN O=C(NCCN1CCCCC1)c1cccc(CN2c3ccccc3C(=O)N3CCC[C@H]3C2=O)c1 ZINC000035458802 526308708 /nfs/dbraw/zinc/30/87/08/526308708.db2.gz XUKRJHXDFRWGND-DEOSSOPVSA-N 0 3 460.578 3.054 50 0 JGAAHN Cc1csc(SCC(=O)N2CCC([C@]3(CCC(C)C)NC(=O)N(CCN(C)C)C3=O)CC2)n1 ZINC000014887411 526397444 /nfs/dbraw/zinc/39/74/44/526397444.db2.gz RCSFMXMTOFAIEK-QHCPKHFHSA-N 0 3 495.715 3.071 50 0 JGAAHN Cc1csc(SCC(=O)N2CCC([C@@]3(CCC(C)C)NC(=O)N(CCN(C)C)C3=O)CC2)n1 ZINC000014887414 526398179 /nfs/dbraw/zinc/39/81/79/526398179.db2.gz RCSFMXMTOFAIEK-HSZRJFAPSA-N 0 3 495.715 3.071 50 0 JGAAHN Cn1nc(C(=O)N2CCSCC2)c2c1CC[C@H](NCc1cc(C(F)(F)F)ccc1F)C2 ZINC000014752679 527542308 /nfs/dbraw/zinc/54/23/08/527542308.db2.gz IMPKCVVJGSAUIE-HNNXBMFYSA-N 0 3 456.509 3.414 50 0 JGAAHN O=C(/C=C\c1cccs1)NCCCN1CCN(CCCNC(=O)/C=C\c2cccs2)CC1 ZINC000033456082 527659000 /nfs/dbraw/zinc/65/90/00/527659000.db2.gz SCBNZBSRZWTORV-XOHWUJONSA-N 0 3 472.680 3.166 50 0 JGAAHN CCN1CCc2c(sc3c2c(=O)n(-c2ccc(Cl)cc2)c(=O)n3CCN2CCCC2)C1 ZINC000002431944 554205546 /nfs/dbraw/zinc/20/55/46/554205546.db2.gz YWOLTQYBYIPEQR-UHFFFAOYSA-N 0 3 459.015 3.341 50 0 JGAAHN COc1cccc(N2C(=O)C(N3C(=O)c4ccccc4C3=O)[C@@H]2c2cc(OC)c(OC)c(OC)c2)c1 ZINC000002475666 554225231 /nfs/dbraw/zinc/22/52/31/554225231.db2.gz QVFKYBFTZWLGLM-XZOQPEGZSA-N 0 3 488.496 3.474 50 0 JGAAHN O=C(NCCN1CCCCCC1)C1CCC(CNS(=O)(=O)c2cccc3cccnc32)CC1 ZINC000006530785 554549217 /nfs/dbraw/zinc/54/92/17/554549217.db2.gz DGNGVTZGICSVCM-UHFFFAOYSA-N 0 3 472.655 3.312 50 0 JGAAHN CSCC[C@@H](NC(=O)c1ccc2ccccc2c1)C(=O)N1CCC2(CC1)NCCc1nc[nH]c12 ZINC000008738862 554640706 /nfs/dbraw/zinc/64/07/06/554640706.db2.gz ADQFQCKUIGKLLR-JOCHJYFZSA-N 0 3 477.634 3.078 50 0 JGAAHN Cc1ccc(C(=O)N[C@H](Cc2ccccc2)C(=O)N2CCC3(CC2)NCCc2nc[nH]c23)cc1C ZINC000008743787 554646651 /nfs/dbraw/zinc/64/66/51/554646651.db2.gz HFNFGKQASVVPNU-XMMPIXPASA-N 0 3 471.605 3.031 50 0 JGAAHN C[C@]1(c2ccc3ccccc3c2)NC(=O)N(CC(=O)NC2CCN(Cc3ccccc3)CC2)C1=O ZINC000008895143 554784714 /nfs/dbraw/zinc/78/47/14/554784714.db2.gz TYNVGOKKVMAZLI-MUUNZHRXSA-N 0 3 470.573 3.388 50 0 JGAAHN COc1ccc(-c2c[nH]nc2-c2ccc(OCC[NH+]3CCC(C(N)=O)CC3)cc2[O-])cc1OC ZINC000009059725 554878351 /nfs/dbraw/zinc/87/83/51/554878351.db2.gz WDYULYVFSGTGRJ-UHFFFAOYSA-N 0 3 466.538 3.043 50 0 JGAAHN CCN1CCN(c2ccc(NC(=O)CN(C)S(=O)(=O)c3ccc(Cl)s3)c(C)c2)CC1 ZINC000009222588 554991847 /nfs/dbraw/zinc/99/18/47/554991847.db2.gz QXDBTXZZQAAZSR-UHFFFAOYSA-N 0 3 471.048 3.111 50 0 JGAAHN CN(CCCNC(=O)Cn1ccc2cc(S(=O)(=O)N3CCCCC3)ccc21)Cc1ccccc1 ZINC000009276361 555048232 /nfs/dbraw/zinc/04/82/32/555048232.db2.gz ILEAHFHIIQXKMX-UHFFFAOYSA-N 0 3 482.650 3.454 50 0 JGAAHN O=C(CCc1nnc2ccc(N3CCCCC3)nn21)NCC1CCN(Cc2ccc(F)cc2)CC1 ZINC000009431125 555199766 /nfs/dbraw/zinc/19/97/66/555199766.db2.gz UJOPCOLXWBHYDU-UHFFFAOYSA-N 0 3 479.604 3.215 50 0 JGAAHN CC(=O)c1ccc(S(=O)(=O)NCc2ccc(C(=O)NC[C@H](c3ccccc3)N(C)C)cc2)cc1 ZINC000009671775 555392061 /nfs/dbraw/zinc/39/20/61/555392061.db2.gz XERLWYQQSBUDCL-RUZDIDTESA-N 0 3 479.602 3.400 50 0 JGAAHN CC[C@@H]1CCCCN1CCNC(=O)C1CCC(CNS(=O)(=O)c2cccc3nsnc32)CC1 ZINC000009608285 555435522 /nfs/dbraw/zinc/43/55/22/555435522.db2.gz BCSVJWXQHALDJL-CTWPCTMYSA-N 0 3 493.699 3.157 50 0 JGAAHN CN(C)CCn1c(=O)nc(SCC(=O)Nc2ccc(Br)cc2)c2c1CCCC2 ZINC000009747327 555479242 /nfs/dbraw/zinc/47/92/42/555479242.db2.gz QEXXRMJORDRPOK-UHFFFAOYSA-N 0 3 465.417 3.177 50 0 JGAAHN O=C(c1ccc(N2CCC(N3CCN(Cc4ccccc4)CC3)CC2)cc1)N1CCC[C@@H](O)C1 ZINC000019883993 555528046 /nfs/dbraw/zinc/52/80/46/555528046.db2.gz IXBKUKKFDQUFIR-HHHXNRCGSA-N 0 3 462.638 3.070 50 0 JGAAHN CCN1CCC[C@H]1CNC(=O)c1cc2nc(-c3ccc4c(c3)OCO4)cc(C(F)(F)F)n2n1 ZINC000013642464 555548163 /nfs/dbraw/zinc/54/81/63/555548163.db2.gz MWNCIARKMOOLBC-AWEZNQCLSA-N 0 3 461.444 3.358 50 0 JGAAHN CCc1nn(CC(=O)NCCCN2CCc3ccccc3C2)c(=O)c2cc3sc(C)cc3n21 ZINC000009848648 555550877 /nfs/dbraw/zinc/55/08/77/555550877.db2.gz OMGVYDHBLMWGSJ-UHFFFAOYSA-N 0 3 463.607 3.146 50 0 JGAAHN COc1ccc(N2C(=O)CC[C@H](C(=O)NCCCN3CCN(C)CC3)[C@H]2c2ccc(F)cc2)cc1 ZINC000020113751 555651494 /nfs/dbraw/zinc/65/14/94/555651494.db2.gz AJQZJUDKOYYRMT-AZGAKELHSA-N 0 3 482.600 3.072 50 0 JGAAHN Cc1ccccc1[C@@]1(CC(=O)N2CCN(C3CCCC3)CC2)CC(=O)N(Cc2ccncc2)C1=O ZINC000020210823 555703385 /nfs/dbraw/zinc/70/33/85/555703385.db2.gz OPFYSMHREDEBPM-MUUNZHRXSA-N 0 3 474.605 3.064 50 0 JGAAHN CCOC(=O)C1C(CN2CCN(Cc3ccccc3)CC2)=NC(=O)N[C@@H]1c1ccc(OC(C)C)cc1 ZINC000020214445 555709742 /nfs/dbraw/zinc/70/97/42/555709742.db2.gz XKONNTVZAOTRNR-AREMUKBSSA-N 0 3 492.620 3.463 50 0 JGAAHN O=C(NC1CCN(Cc2ccccc2)CC1)c1cc(S(=O)(=O)NC2CC2)ccc1Br ZINC000014170636 555721951 /nfs/dbraw/zinc/72/19/51/555721951.db2.gz XPIDZSIGROHYBG-UHFFFAOYSA-N 0 3 492.439 3.284 50 0 JGAAHN O=C(NC[C@H](c1ccccc1)N1CCCC1)C1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1 ZINC000014198705 555730520 /nfs/dbraw/zinc/73/05/20/555730520.db2.gz AJVGVOULPAVIDT-LJQANCHMSA-N 0 3 487.530 3.313 50 0 JGAAHN CCN1CCN(CCNC(=O)C2CCN(Cc3nc(-c4ccc(Cl)cc4)oc3C)CC2)CC1 ZINC000020240747 555736162 /nfs/dbraw/zinc/73/61/62/555736162.db2.gz LQARSOWBCSXRSN-UHFFFAOYSA-N 0 3 474.049 3.269 50 0 aggregator JGAAHN COC(=O)c1[nH]c2cc(OC)ccc2c1NC(=O)CCN1CCN(Cc2ccccc2)CC1 ZINC000020266528 555748327 /nfs/dbraw/zinc/74/83/27/555748327.db2.gz LTEDCRZFSDAGGK-UHFFFAOYSA-N 0 3 450.539 3.110 50 0 JGAAHN Cc1ccc(C(=O)NCCc2nnc3n2CCN(C[C@H](C)Cc2ccc4c(c2)OCO4)CC3)c(C)c1 ZINC000020272674 555749337 /nfs/dbraw/zinc/74/93/37/555749337.db2.gz HPNZRGWIFPHHTB-HXUWFJFHSA-N 0 3 489.620 3.333 50 0 JGAAHN CCOC(=O)C1C(CN(CCOC)Cc2cccs2)=NC(=O)N[C@@H]1c1cccc(OC)c1OC ZINC000020284047 555753478 /nfs/dbraw/zinc/75/34/78/555753478.db2.gz XGCASDQGCBQWCJ-OAQYLSRUSA-N 0 3 489.594 3.085 50 0 JGAAHN COc1cccc(CO[C@@H]2CN(CCc3ccccc3)C(=O)CN(C3CCN(C)CC3)C2)c1 ZINC000020543366 555806363 /nfs/dbraw/zinc/80/63/63/555806363.db2.gz ZZNMEDUKWGGAFJ-AREMUKBSSA-N 0 3 451.611 3.062 50 0 JGAAHN C[C@H]1CCC[C@H](C)N1CCNC(=O)C1CCN(c2ncnc3c2nc2n3CCCCC2)CC1 ZINC000020557076 555808797 /nfs/dbraw/zinc/80/87/97/555808797.db2.gz UEKUTQASSNDLAO-OALUTQOASA-N 0 3 453.635 3.148 50 0 JGAAHN O=C([C@@H]1CCCN(c2ncnc3c2nc2n3CCCCC2)C1)N1CCN(C2CCCCC2)CC1 ZINC000020557027 555808858 /nfs/dbraw/zinc/80/88/58/555808858.db2.gz KHDNXOASMRNIBR-HXUWFJFHSA-N 0 3 465.646 3.246 50 0 JGAAHN COCC(=O)Nc1cc2ncn(Cc3ccc(F)cc3)c2c(C(=O)NCCN2CCCCC2)c1 ZINC000011787843 555821844 /nfs/dbraw/zinc/82/18/44/555821844.db2.gz MLZLTQVUDJTKMC-UHFFFAOYSA-N 0 3 467.545 3.024 50 0 JGAAHN COCCN1C(=O)N(Cc2ccccc2)C2(CCN(Cc3ccc(OC)c(C)c3)CC2)C1=O ZINC000014533610 555821973 /nfs/dbraw/zinc/82/19/73/555821973.db2.gz AZLVFRVEGUDQNL-UHFFFAOYSA-N 0 3 451.567 3.449 50 0 JGAAHN CCCn1nc(C(=O)N2CCN(C)CC2)c2c1CC[C@@H](NCc1ccccc1C(F)(F)F)C2 ZINC000014537176 555826456 /nfs/dbraw/zinc/82/64/56/555826456.db2.gz CERBYGUTVTZEIX-GOSISDBHSA-N 0 3 463.548 3.347 50 0 JGAAHN Cn1nc(C(=O)N2CCSCC2)c2c1CC[C@@H](NCc1ccccc1OC(F)(F)F)C2 ZINC000014538441 555827923 /nfs/dbraw/zinc/82/79/23/555827923.db2.gz KDGRXZLAWXRBRP-OAHLLOKOSA-N 0 3 454.518 3.155 50 0 JGAAHN COc1ccc(CNCc2[nH]nc3c2CCC3)cc1OC[C@H](O)CN(C)Cc1ccccc1 ZINC000011817280 555831242 /nfs/dbraw/zinc/83/12/42/555831242.db2.gz OXIOYPJCBMIFFY-OAQYLSRUSA-N 0 3 450.583 3.069 50 0 JGAAHN CC(C)CN1C(=O)N(Cc2ccccn2)C(=O)C12CCN(Cc1ccc3c(c1)OCCO3)CC2 ZINC000014542964 555834049 /nfs/dbraw/zinc/83/40/49/555834049.db2.gz HTLARJRQGSIIAQ-UHFFFAOYSA-N 0 3 464.566 3.308 50 0 JGAAHN CCOC(=O)N1CCC(NC(=O)[C@@H]2CC23CCN(Cc2ccc(OC)c(OC)c2)CC3)CC1 ZINC000011841885 555834510 /nfs/dbraw/zinc/83/45/10/555834510.db2.gz IZQCJHMZDISFOH-FQEVSTJZSA-N 0 3 459.587 3.043 50 0 JGAAHN CCN(CC)[C@H](CNC(=O)C1CCN(S(=O)(=O)c2ccccc2F)CC1)c1ccccc1 ZINC000014577361 555835349 /nfs/dbraw/zinc/83/53/49/555835349.db2.gz IWBKOIQDLDGHBW-JOCHJYFZSA-N 0 3 461.603 3.426 50 0 JGAAHN Cc1ccccc1[C@]1(CC(=O)N2CCN(C3CCCC3)CC2)CC(=O)N(Cc2cccnc2)C1=O ZINC000020599905 555841375 /nfs/dbraw/zinc/84/13/75/555841375.db2.gz USGFTJMIVBWQLT-NDEPHWFRSA-N 0 3 474.605 3.064 50 0 JGAAHN COC(=O)c1cn([C@H]2C[C@@H](C(=O)NCCc3cccc(Cl)c3)N(C3CCCCC3)C2)nn1 ZINC000011910267 555857378 /nfs/dbraw/zinc/85/73/78/555857378.db2.gz FUPBUWYVQDNYPA-FPOVZHCZSA-N 0 3 459.978 3.025 50 0 JGAAHN O=C1CCCN1CCCN1C(=O)CC[C@@H]2CN(Cc3cccn3-c3ccc(Cl)cn3)CC[C@@H]21 ZINC000011911337 555858998 /nfs/dbraw/zinc/85/89/98/555858998.db2.gz IGABHGJJGBPVSW-KNQAVFIVSA-N 0 3 470.017 3.351 50 0 JGAAHN CCOC(=O)N1CCC(NC(=O)[C@@H]2CC23CCN(Cc2ccc(O)c(OCC)c2)CC3)CC1 ZINC000011963903 555870588 /nfs/dbraw/zinc/87/05/88/555870588.db2.gz LZKWZIQXFKSBOF-FQEVSTJZSA-N 0 3 459.587 3.130 50 0 JGAAHN COc1ccccc1C(=O)Nc1ccnn1C1CCN(Cc2cccc(OCCO)c2)CC1 ZINC000015073007 555872058 /nfs/dbraw/zinc/87/20/58/555872058.db2.gz XZTIJSBRMODDLP-UHFFFAOYSA-N 0 3 450.539 3.352 50 0 JGAAHN CN(C)CCN1C(=O)C[C@](CC(=O)N2CCCC[C@H]2c2nccs2)(c2ccccc2Cl)C1=O ZINC000011998483 555881070 /nfs/dbraw/zinc/88/10/70/555881070.db2.gz SPFVIOVYSFEINW-YADARESESA-N 0 3 489.041 3.499 50 0 JGAAHN CN(C)CCN1C(=O)C[C@](CC(=O)N(C)Cc2ccc(F)cc2)(c2ccccc2Cl)C1=O ZINC000012041852 555894421 /nfs/dbraw/zinc/89/44/21/555894421.db2.gz KPYLPGFEUKLRAP-XMMPIXPASA-N 0 3 459.949 3.086 50 0 JGAAHN COCc1ccc(C(=O)NCc2nnc3n2CCN(Cc2ccc(OC)c4ccccc24)CC3)o1 ZINC000012041966 555894458 /nfs/dbraw/zinc/89/44/58/555894458.db2.gz OWECLEXXWKADSU-UHFFFAOYSA-N 0 3 475.549 3.168 50 0 JGAAHN CC(C)C[C@H](N[C@@H]1CCc2c(sc3ncn(CCCc4ccccc4)c(=O)c32)C1)C(N)=O ZINC000012159880 555930252 /nfs/dbraw/zinc/93/02/52/555930252.db2.gz LDRSMJHWZWYCSF-QUCCMNQESA-N 0 3 452.624 3.438 50 0 JGAAHN COc1ccc(/C=C/CN2CCc3nnc([C@@H](C)NC(=O)COc4ccccc4)n3CC2)cc1 ZINC000012190718 555937733 /nfs/dbraw/zinc/93/77/33/555937733.db2.gz FGIQUSLXAJZPSL-ROUKRRSUSA-N 0 3 461.566 3.114 50 0 JGAAHN COc1ccccc1C(=O)N(CCN(C)C)Cc1cc2cc3c(cc2nc1N(C)C)OCO3 ZINC000012213077 555943945 /nfs/dbraw/zinc/94/39/45/555943945.db2.gz MSRMBZNSVRGYKF-UHFFFAOYSA-N 0 3 450.539 3.242 50 0 JGAAHN CCOC(=O)C1C(CN2CCN(Cc3ccccc3)CC2)=NC(=O)N[C@H]1c1ccc(Cl)cc1 ZINC000022917789 555971486 /nfs/dbraw/zinc/97/14/86/555971486.db2.gz ZTWRPNDCPHXCBG-QHCPKHFHSA-N 0 3 468.985 3.329 50 0 JGAAHN CN1c2ccc(S(=O)(=O)N3CCC(CN4CCc5ccccc5C4)CC3)cc2C(C)(C)C1=O ZINC000015731715 555975016 /nfs/dbraw/zinc/97/50/16/555975016.db2.gz JYMLYRJPBDCGCV-UHFFFAOYSA-N 0 3 467.635 3.400 50 0 JGAAHN Cn1ccc2cc(S(=O)(=O)N3CCC(C(=O)NC4CCN(Cc5ccccc5)CC4)CC3)ccc21 ZINC000015784219 556002787 /nfs/dbraw/zinc/00/27/87/556002787.db2.gz CLGUHVYURFMYRL-UHFFFAOYSA-N 0 3 494.661 3.360 50 0 JGAAHN CN(CCCNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc3c(ccn3C)c2)C1)Cc1ccccc1 ZINC000015784473 556003419 /nfs/dbraw/zinc/00/34/19/556003419.db2.gz VPZFVIQLIVPLAG-QHCPKHFHSA-N 0 3 482.650 3.217 50 0 JGAAHN Cc1ccccc1CN1CCC(CNS(=O)(=O)c2cc3c(cc2Cl)NC(=O)CO3)CC1 ZINC000015822201 556010470 /nfs/dbraw/zinc/01/04/70/556010470.db2.gz AYAAXLDAWMOCDY-UHFFFAOYSA-N 0 3 463.987 3.170 50 0 JGAAHN COc1cc(C)c(CN2CCc3nnc([C@@H](C)NC(=O)COc4ccccc4)n3CC2)cc1C ZINC000023129348 556018888 /nfs/dbraw/zinc/01/88/88/556018888.db2.gz BUZUWENNGPPWED-HXUWFJFHSA-N 0 3 463.582 3.218 50 0 JGAAHN O=C1CC[C@H](N2CCN(Cc3ccc4c(c3)OCO4)CC2)CCN1Cc1ccc(F)cc1F ZINC000023361480 556049428 /nfs/dbraw/zinc/04/94/28/556049428.db2.gz XHFNPQPJZOQFLS-NRFANRHFSA-N 0 3 457.521 3.392 50 0 JGAAHN COC(=O)c1ccc(CN2CCC[C@@H](CCC(=O)N3CCN(c4ccccn4)CC3)C2)cc1 ZINC000012584882 556082220 /nfs/dbraw/zinc/08/22/20/556082220.db2.gz HYILJRRKZYGXLP-NRFANRHFSA-N 0 3 450.583 3.209 50 0 JGAAHN CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)NC[C@H](Cc2ccccc2)N(C)C)c1 ZINC000012942008 556155182 /nfs/dbraw/zinc/15/51/82/556155182.db2.gz LMBBXSTUEFSQII-SFHVURJKSA-N 0 3 452.020 3.273 50 0 JGAAHN COc1ccc([C@H](CNC(=O)c2cccc(S(=O)(=O)N3CCc4ccccc4C3)c2)N(C)C)cc1 ZINC000012982073 556175399 /nfs/dbraw/zinc/17/53/99/556175399.db2.gz OFMQQHUWXFNGGB-SANMLTNESA-N 0 3 493.629 3.475 50 0 JGAAHN CCc1ccc([C@H](CNC(=O)c2ccc(S(=O)(=O)NCc3ccco3)cc2)N(C)C)cc1 ZINC000018017161 556276829 /nfs/dbraw/zinc/27/68/29/556276829.db2.gz ZGMNVWTZBOTZHX-QHCPKHFHSA-N 0 3 455.580 3.353 50 0 JGAAHN CN(CC(=O)N1CCN(C2CCCCC2)CC1)S(=O)(=O)c1ccc2[nH]c(-c3ccccc3)nc2c1 ZINC000019830328 556397362 /nfs/dbraw/zinc/39/73/62/556397362.db2.gz CHLRWNUIIITIEM-UHFFFAOYSA-N 0 3 495.649 3.327 50 0 JGAAHN CN(C)[C@H](CNC(=O)CSc1nc2sc3c(c2c(=O)n1C)CCCC3)c1ccccc1 ZINC000032636332 556457143 /nfs/dbraw/zinc/45/71/43/556457143.db2.gz PGCZOFPLHDFVKB-QGZVFWFLSA-N 0 3 456.637 3.385 50 0 JGAAHN C[C@@H]1Oc2ccccc2OC1C(=O)Nc1nc(-c2ccc(N(C)S(C)(=O)=O)cc2)cs1 ZINC000032857632 556512864 /nfs/dbraw/zinc/51/28/64/556512864.db2.gz OVGPWQOLVKWARS-ORAYPTAESA-N 0 3 459.549 3.373 50 0 JGAAHN O=C(COC(=O)C1CCN(c2cccc(OC(F)(F)F)c2)C1=O)NCCC1=CCCCC1 ZINC000032922189 556541674 /nfs/dbraw/zinc/54/16/74/556541674.db2.gz GANXXMGBEXLTLZ-SFHVURJKSA-N 0 3 454.445 3.488 50 0 JGAAHN CN(C)S(=O)(=O)c1ccc(N2CCCC2)c(C(=O)NCc2ccccc2CN2CCCCC2)c1 ZINC000008727269 569601158 /nfs/dbraw/zinc/60/11/58/569601158.db2.gz FIIYTJRUMWDMQD-UHFFFAOYSA-N 0 3 484.666 3.453 50 0 JGAAHN CCN1CCN(CCCNC(=O)c2ccc3c(c2)NC(=O)/C(=C/c2cccc(Cl)c2)O3)CC1 ZINC000032984006 569607294 /nfs/dbraw/zinc/60/72/94/569607294.db2.gz DEFUKVCFZZUEIN-KQWNVCNZSA-N 0 3 468.985 3.469 50 0 JGAAHN CCOC(=O)C1=NN(c2ccccc2)[C@@H](C(=O)NCC2CCN(Cc3ccc(OC)cc3)CC2)C1 ZINC000060381951 569608937 /nfs/dbraw/zinc/60/89/37/569608937.db2.gz RHDBWDYLTPLNHR-RUZDIDTESA-N 0 3 478.593 3.221 50 0 JGAAHN Cn1c2c(C(=O)Nc3cccc(CN4CCCC4)c3)cnn2c(=O)c2c1CCN(Cc1ccccc1)C2 ZINC000064836183 569636831 /nfs/dbraw/zinc/63/68/31/569636831.db2.gz LDEZOXWJDNPCDA-UHFFFAOYSA-N 0 3 496.615 3.439 50 0 JGAAHN CN(C)CCN(C[C@H]1CN(C(=S)Nc2ccc(F)cc2)CCO1)C(=O)c1ccc(F)cc1 ZINC000034692064 569646248 /nfs/dbraw/zinc/64/62/48/569646248.db2.gz HMBROKQLKIPUDJ-NRFANRHFSA-N 0 3 462.566 3.066 50 0 JGAAHN Cc1noc2nc(CCC(=O)NCCCN3CCc4ccccc4C3)nc(N3CCCCC3)c12 ZINC000065056355 569654152 /nfs/dbraw/zinc/65/41/52/569654152.db2.gz RLJAPKFMWBSWGL-UHFFFAOYSA-N 0 3 462.598 3.414 50 0 JGAAHN C[C@H](C(=O)N1CCN(C2CCCCC2)CC1)C1CCN(S(=O)(=O)c2cccs2)CC1 ZINC000065061788 569655511 /nfs/dbraw/zinc/65/55/11/569655511.db2.gz AFGJGZWOSLMBMC-SFHVURJKSA-N 0 3 453.674 3.262 50 0 JGAAHN Cn1ncc2c3ccccc3n(CCCC(=O)NC3CCN(Cc4ccccc4)CC3)c2c1=O ZINC000035372353 569683168 /nfs/dbraw/zinc/68/31/68/569683168.db2.gz SVPMXMWVQMIHIE-UHFFFAOYSA-N 0 3 457.578 3.449 50 0 JGAAHN CCN(CC)S(=O)(=O)c1ccc2c(c1)ncn2CCC(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000035403347 569691335 /nfs/dbraw/zinc/69/13/35/569691335.db2.gz TXKDBFRTLYJGRD-UHFFFAOYSA-N 0 3 497.665 3.238 50 0 JGAAHN COc1ccccc1N(C)S(=O)(=O)c1ccc(C)c(C(=O)N2CC[C@@H](N3CCCC3)C2)c1 ZINC000070012421 569694772 /nfs/dbraw/zinc/69/47/72/569694772.db2.gz SRFSRWSFCQTTQY-LJQANCHMSA-N 0 3 457.596 3.139 50 0 JGAAHN CCN(CC)S(=O)(=O)c1ccc2c(cc(C(=O)NCCCN(C)Cc3ccccc3)n2C)c1 ZINC000035561066 569704331 /nfs/dbraw/zinc/70/43/31/569704331.db2.gz RYCJXTNVUZLLFB-UHFFFAOYSA-N 0 3 470.639 3.461 50 0 JGAAHN COc1ccc(C2=NCCNC3=C2[C@@H](c2ccc(Cl)cc2)N(CCCN2CCOCC2)C3=O)cc1 ZINC000096833467 569743301 /nfs/dbraw/zinc/74/33/01/569743301.db2.gz CXENVWYYWRIJND-AREMUKBSSA-N 0 3 495.023 3.301 50 0 JGAAHN CN(C)CCNC(=O)CCN(C[C@@H]1CCCO1)C(=O)c1cc(-c2ccc(Cl)cc2Cl)on1 ZINC000036013706 569748760 /nfs/dbraw/zinc/74/87/60/569748760.db2.gz ASYASXQSVGOPNT-INIZCTEOSA-N 0 3 483.396 3.338 50 0 JGAAHN CCOC(=O)c1ccc(N2C(=O)C[C@H](NC3CCN(c4ncc(Cl)cc4Cl)CC3)C2=O)cc1 ZINC000101163737 569785247 /nfs/dbraw/zinc/78/52/47/569785247.db2.gz STQGXWNDDBLNJT-IBGZPJMESA-N 0 3 491.375 3.456 50 0 JGAAHN COCCN(CCC(=O)NCCN(C)C)C(=O)c1csc(Nc2cc(Cl)ccc2C)n1 ZINC000037438397 569790453 /nfs/dbraw/zinc/79/04/53/569790453.db2.gz BVCWBXKTHRJATP-UHFFFAOYSA-N 0 3 468.023 3.005 50 0 JGAAHN Cc1ccc(F)c(OCC(=O)c2ccc3c(c2)N([C@@H](C)C(=O)NCCN2CCCCC2)C(=O)CO3)c1 ZINC000037511902 569791820 /nfs/dbraw/zinc/79/18/20/569791820.db2.gz XJISGDVFEWBGIC-IBGZPJMESA-N 0 3 497.567 3.112 50 0 JGAAHN CC(C)c1ccc(OCC(=O)c2ccc3c(c2)N(CC(=O)NCCN2CCCC2)C(=O)CO3)cc1 ZINC000037519466 569792708 /nfs/dbraw/zinc/79/27/08/569792708.db2.gz GUKXOVUWCCUMMH-UHFFFAOYSA-N 0 3 479.577 3.009 50 0 JGAAHN CN(C(=O)c1ccccc1N1CCC(NC(=O)c2ccc(F)cc2)CC1)C1CCN(C)CC1 ZINC000037525501 569793511 /nfs/dbraw/zinc/79/35/11/569793511.db2.gz KGMXDLPLZKAUKW-UHFFFAOYSA-N 0 3 452.574 3.391 50 0 JGAAHN CSCC[C@H](NC(=O)c1ccccc1Br)C(=O)NC[C@@H](C)N1CCCCC1 ZINC000040157566 569821657 /nfs/dbraw/zinc/82/16/57/569821657.db2.gz OQAGGBXKJQFERX-QAPCUYQASA-N 0 3 456.450 3.291 50 0 JGAAHN CCC1=C(C(=O)OC)[C@H](c2cccc(OC)c2)N2C(CC(=O)NC3CCN(C)CC3)=CSC2=N1 ZINC000102763758 569822628 /nfs/dbraw/zinc/82/26/28/569822628.db2.gz WXILBKIGRGPOPI-QHCPKHFHSA-N 0 3 484.622 3.434 50 0 JGAAHN CN1CCN(CCCNC(=O)c2csc(NC(=O)c3ccc(Cl)cc3Cl)n2)CC1 ZINC000040355804 569824013 /nfs/dbraw/zinc/82/40/13/569824013.db2.gz KUAYQXAETSGHRX-UHFFFAOYSA-N 0 3 456.399 3.070 50 0 JGAAHN COc1ccc2c(c1)N1CCN(c3ccc(C)cc3)C[C@@H]1[C@H](C(=O)NCCN1CCCCC1)C2 ZINC000104922276 569847599 /nfs/dbraw/zinc/84/75/99/569847599.db2.gz GXNDPRDZNOJOCV-XNMGPUDCSA-N 0 3 462.638 3.473 50 0 JGAAHN Cc1ccc(NC(=O)C(=O)NCC2CCN(Cc3ccsc3)CC2)cc1N1CCCC1=O ZINC000049522482 569848268 /nfs/dbraw/zinc/84/82/68/569848268.db2.gz FISTXNQJZJJWAT-UHFFFAOYSA-N 0 3 454.596 3.150 50 0 JGAAHN Cc1ccc(CN2CC[C@@H](CNC(=O)[C@H](C)n3c4ccccc4c4cnn(C)c(=O)c43)C2)cc1 ZINC000106409235 569854228 /nfs/dbraw/zinc/85/42/28/569854228.db2.gz ZXLKDSLNKQYNDW-FPOVZHCZSA-N 0 3 457.578 3.396 50 0 JGAAHN CN(C)CCNC(=O)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CCN(Cc3ccccc3)C[C@@H]12 ZINC000169678938 569869403 /nfs/dbraw/zinc/86/94/03/569869403.db2.gz PHUHFXIIKSROFJ-GGAORHGYSA-N 0 3 460.544 3.246 50 0 JGAAHN CN(C)CCNC(=O)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CCN(c3ccccc3F)C[C@@H]12 ZINC000169679333 569869622 /nfs/dbraw/zinc/86/96/22/569869622.db2.gz LEQFMBKWTZFHQV-AVRDEDQJSA-N 0 3 464.507 3.390 50 0 JGAAHN CN(C)CCNC(=O)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CCN(c3ccccc3F)C[C@@H]12 ZINC000169679332 569869638 /nfs/dbraw/zinc/86/96/38/569869638.db2.gz LEQFMBKWTZFHQV-GCJKJVERSA-N 0 3 464.507 3.390 50 0 JGAAHN O=C(NC1CCN(Cc2ccccc2)CC1)c1cc2n(n1)C[C@H](c1ccc3c(c1)OCO3)OC2 ZINC000169759895 569872306 /nfs/dbraw/zinc/87/23/06/569872306.db2.gz DGDLRRZIZFQHLD-RUZDIDTESA-N 0 3 460.534 3.278 50 0 JGAAHN CCN1CCC[C@@H]1CNC(=O)[C@H]1c2cc(OC)c(OC)cc2C(=O)N(C)[C@H]1c1ccc(OC)cc1 ZINC000230068699 570044318 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OMUMXNDBMZATCR-UTKZUKDTSA-N 0 3 491.617 3.042 50 0 JGAAHN O=C1c2cccc3cccc(c32)C(=O)N1CC1CCN(C[C@H](O)COc2ccc3c(c2)OCO3)CC1 ZINC000004178344 194383218 /nfs/dbraw/zinc/38/32/18/194383218.db2.gz QILPOGYMVGMBGU-FQEVSTJZSA-N 0 3 488.540 3.316 50 0 JGAAHN CN(CCCNC(=O)c1ccc2c(c1)[nH]c(=O)n(CCc1ccccc1)c2=O)Cc1ccccc1 ZINC000004791604 194399804 /nfs/dbraw/zinc/39/98/04/194399804.db2.gz KBZZSPBMHJUQPO-UHFFFAOYSA-N 0 3 470.573 3.184 50 0 JGAAHN CCN1CCN(c2ccc(NC(=O)c3ccccc3S[C@H]3CCS(=O)(=O)C3)cc2)CC1 ZINC000009782705 194961822 /nfs/dbraw/zinc/96/18/22/194961822.db2.gz BTUMAFBQIBSOLF-FQEVSTJZSA-N 0 3 459.637 3.360 50 0 JGAAHN CN(CCCNC(=O)Cn1nc(Cc2cccnc2)c2ccccc2c1=O)Cc1ccccc1 ZINC000009860858 195001599 /nfs/dbraw/zinc/00/15/99/195001599.db2.gz NUIGTPIWEXBSSJ-UHFFFAOYSA-N 0 3 455.562 3.021 50 0 JGAAHN CCN1CCN(c2ccc(NC(=O)CCNS(=O)(=O)c3ccccc3C(F)(F)F)c(C)c2)CC1 ZINC000012634282 195065817 /nfs/dbraw/zinc/06/58/17/195065817.db2.gz GMRHCNIIDVSJHO-UHFFFAOYSA-N 0 3 498.571 3.463 50 0 JGAAHN 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/nfs/dbraw/zinc/37/09/44/195370944.db2.gz QQDLNOHAFMVKNX-JTHBVZDNSA-N 0 3 453.606 3.102 50 0 JGAAHN C[C@@H]1CCC[C@H](N(CC(=O)Nc2ccc(S(N)(=O)=O)cc2)Cc2ccc3c(c2)OCO3)[C@@H]1C ZINC000058175756 195371815 /nfs/dbraw/zinc/37/18/15/195371815.db2.gz RSRLVRDTTGABOT-LZJOCLMNSA-N 0 3 473.595 3.328 50 0 JGAAHN CCOC(=O)c1c(C)c(C(=O)Nc2ccccc2)sc1NC(=O)CN(C)C1CCN(C)CC1 ZINC000021548955 195314731 /nfs/dbraw/zinc/31/47/31/195314731.db2.gz ITGPBCICMCXATJ-UHFFFAOYSA-N 0 3 472.611 3.450 50 0 JGAAHN CC(C)CC[C@]1(C2CCN(C(=O)c3cc4ccccc4[nH]3)CC2)NC(=O)N(CCN(C)C)C1=O ZINC000014882346 519696074 /nfs/dbraw/zinc/69/60/74/519696074.db2.gz MZBTUBLONUQBLT-AREMUKBSSA-N 0 3 467.614 3.309 50 0 JGAAHN CCCN1CCN(c2ncnc3sc(C(=O)NCc4ccc5c(c4)OCO5)c(C)c32)CC1 ZINC000033048398 519860541 /nfs/dbraw/zinc/86/05/41/519860541.db2.gz JAHGUFIJUQKPBU-UHFFFAOYSA-N 0 3 453.568 3.190 50 0 JGAAHN CCCNC(=O)c1cc([N-]S(=O)(=O)c2ccc(CC(C)C)cc2)ccc1N1CC[NH2+]CC1 ZINC000033121171 519897772 /nfs/dbraw/zinc/89/77/72/519897772.db2.gz 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CN(C)CCN1C(=O)N[C@](CCc2ccccc2)(C2CCN(C(=O)c3ccnc(Cl)c3)CC2)C1=O ZINC000014989373 521758387 /nfs/dbraw/zinc/75/83/87/521758387.db2.gz XRORYAGROHUJDI-AREMUKBSSA-N 0 3 498.027 3.072 50 0 JGAAHN CN(C)CCN1C(=O)N[C@@](CCc2ccccc2)(C2CCN(C(=O)Cc3ccsc3)CC2)C1=O ZINC000014993727 521758408 /nfs/dbraw/zinc/75/84/08/521758408.db2.gz DFGGNISIUSOBAC-SANMLTNESA-N 0 3 482.650 3.014 50 0 JGAAHN CN(C)CCNC(=O)CC1CCN(C(=O)c2cn(-c3ccccc3)nc2-c2ccccc2)CC1 ZINC000021663407 521778836 /nfs/dbraw/zinc/77/88/36/521778836.db2.gz VVMHQGYDIXQRTR-UHFFFAOYSA-N 0 3 459.594 3.459 50 0 JGAAHN CC[C@@H](C(=O)NCCCN1CCN(CC)CC1)n1nc(C)c2sc3ccccc3c2c1=O ZINC000020467073 521839695 /nfs/dbraw/zinc/83/96/95/521839695.db2.gz ZWGKONDYCJISSL-IBGZPJMESA-N 0 3 455.628 3.015 50 0 JGAAHN COC(=O)CN1C(=O)N(CCc2ccccc2)C2(CCN(Cc3c[nH]c4ccccc34)CC2)C1=O ZINC000014750650 523172643 /nfs/dbraw/zinc/17/26/43/523172643.db2.gz AINJWLAMOHCDDJ-UHFFFAOYSA-N 0 3 474.561 3.182 50 0 JGAAHN COCc1nnc(C(=O)Nc2ccc(C(=O)NCCCN3CCc4ccccc4C3)cc2)s1 ZINC000033264012 523249818 /nfs/dbraw/zinc/24/98/18/523249818.db2.gz JKCZCOMQZFRENQ-UHFFFAOYSA-N 0 3 465.579 3.115 50 0 JGAAHN COCCCNC(=O)[C@H]1C[C@@H](C(=O)Nc2ccc3c(c2)CCC3)CN(Cc2ccc(O)cc2)C1 ZINC000014749961 523363857 /nfs/dbraw/zinc/36/38/57/523363857.db2.gz HAIHKDBIUHSEFV-XZOQPEGZSA-N 0 3 465.594 3.110 50 0 JGAAHN CCn1nc(C)c(CNC2CCN(c3ccc(C(=O)N4CCC[C@@H](CO)C4)cc3)CC2)c1C ZINC000012245486 523645249 /nfs/dbraw/zinc/64/52/49/523645249.db2.gz ZPSNZLBUPTUPNH-OAQYLSRUSA-N 0 3 453.631 3.123 50 0 JGAAHN COCCN1C(=O)N(C2Cc3ccccc3C2)C(=O)C12CCN(Cc1cccc3nccnc13)CC2 ZINC000014537719 523799437 /nfs/dbraw/zinc/79/94/37/523799437.db2.gz KBXNYWIYCKMLRO-UHFFFAOYSA-N 0 3 485.588 3.042 50 0 JGAAHN COCCN1C(=O)N[C@@](Cc2cccc(OC)c2)(C2CCN(Cc3ccccc3)CC2)C1=O ZINC000014879408 523805789 /nfs/dbraw/zinc/80/57/89/523805789.db2.gz NOOJLPAVNBRTCY-SANMLTNESA-N 0 3 451.567 3.087 50 0 JGAAHN COc1ccc(CCN2C[C@@H](C(=O)NC[C@@H](c3cccs3)N3CCCC3)CC2=O)cc1OC ZINC000036063150 523951829 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ZINC000008455832 554600172 /nfs/dbraw/zinc/60/01/72/554600172.db2.gz XWJAPSMTJORAJT-CQSZACIVSA-N 0 3 459.428 3.064 50 0 JGAAHN CCCCN(CC)S(=O)(=O)c1ccc2[nH]c(=O)cc(C(=O)NCCN(C)Cc3ccccc3)c2c1 ZINC000008811953 554692975 /nfs/dbraw/zinc/69/29/75/554692975.db2.gz XFHOFRDFJJJZSL-UHFFFAOYSA-N 0 3 498.649 3.201 50 0 JGAAHN COc1ccc(C2=NN(CC(=O)NCCN3CCC(Cc4ccccc4)CC3)C(=O)CC2)cc1 ZINC000008813138 554695345 /nfs/dbraw/zinc/69/53/45/554695345.db2.gz JQGVNSAIVXLSQC-UHFFFAOYSA-N 0 3 462.594 3.093 50 0 JGAAHN C[C@H]1CCCCN1CCNC(=O)Cn1ncc2c3ccccc3n(Cc3ccccc3)c2c1=O ZINC000008933096 554826641 /nfs/dbraw/zinc/82/66/41/554826641.db2.gz BSSWGEINGCRARQ-FQEVSTJZSA-N 0 3 457.578 3.390 50 0 JGAAHN Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@@H]1N2C(=O)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 ZINC000009096856 554895337 /nfs/dbraw/zinc/89/53/37/554895337.db2.gz WVPUURAPDOYNSE-UGKGYDQZSA-N 0 3 490.025 3.117 50 0 JGAAHN Cc1ccc2c(c1)[C@H]1CN(C)CC[C@@H]1N2C(=O)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 ZINC000009096857 554895457 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COCCN1C(=O)N(CCc2ccc(OC)cc2)C2(CCN(Cc3ccc(OC)cc3)CC2)C1=O ZINC000014543702 555834723 /nfs/dbraw/zinc/83/47/23/555834723.db2.gz PLNBQPOOQPHDDS-UHFFFAOYSA-N 0 3 481.593 3.192 50 0 JGAAHN O=C(COc1ccccc1)NCCc1nnc2n1CCN(Cc1cccc3ccccc31)CC2 ZINC000011869667 555845966 /nfs/dbraw/zinc/84/59/66/555845966.db2.gz LHKKYFJWZBVJJS-UHFFFAOYSA-N 0 3 455.562 3.227 50 0 JGAAHN COc1ccc(CN2CCc3nnc([C@@H](C)NC(=O)C4CCOCC4)n3CC2)c2ccccc12 ZINC000011881176 555849348 /nfs/dbraw/zinc/84/93/48/555849348.db2.gz RZBOWNHPCCNIHU-GOSISDBHSA-N 0 3 463.582 3.102 50 0 JGAAHN CN(C)CCN1C(=O)N[C@](Cc2cccc(F)c2)(C2CCN(C(=O)C3(C)CCCCC3)CC2)C1=O ZINC000011882135 555850611 /nfs/dbraw/zinc/85/06/11/555850611.db2.gz IYVVGAHLGWLYEF-HHHXNRCGSA-N 0 3 486.632 3.429 50 0 JGAAHN CN(C)CCN1C(=O)C[C@@](CC(=O)N2CCC[C@H](c3ccccc3)C2)(c2ccccc2F)C1=O ZINC000011882410 555851033 /nfs/dbraw/zinc/85/10/33/555851033.db2.gz WXIXAYQWWYHLJC-IDISGSTGSA-N 0 3 465.569 3.180 50 0 JGAAHN COCCC(=O)N[C@@H](C)c1nnc2n1CCN(Cc1ccc(N(C)c3ccccc3)cc1)CC2 ZINC000011909009 555855840 /nfs/dbraw/zinc/85/58/40/555855840.db2.gz RMBUDQDEIVAASP-FQEVSTJZSA-N 0 3 462.598 3.318 50 0 JGAAHN COCCC(=O)N[C@H](C)c1nnc2n1CCN(Cc1ccc(N(C)c3ccccc3)cc1)CC2 ZINC000011909010 555855985 /nfs/dbraw/zinc/85/59/85/555855985.db2.gz RMBUDQDEIVAASP-HXUWFJFHSA-N 0 3 462.598 3.318 50 0 JGAAHN COc1cccc(CNCCc2cccc3ccccc32)c1OC[C@@H](O)CN1CCOCC1 ZINC000015070837 555870119 /nfs/dbraw/zinc/87/01/19/555870119.db2.gz DDPSTVFKNGYPEQ-DEOSSOPVSA-N 0 3 450.579 3.253 50 0 JGAAHN CCN1CCC[C@@H]1CNC(=O)c1cnn(-c2ncc3c(n2)-c2ccccc2CCC3)c1COC ZINC000015070953 555870474 /nfs/dbraw/zinc/87/04/74/555870474.db2.gz CTIXVTLJRALWAZ-HXUWFJFHSA-N 0 3 460.582 3.179 50 0 JGAAHN CCOC(=O)N1CCN(C(=O)c2ccc(N3CCC(N[C@H](C)c4nccs4)CC3)cc2)CC1 ZINC000015072566 555871699 /nfs/dbraw/zinc/87/16/99/555871699.db2.gz HUVJVMNNWFVAJY-GOSISDBHSA-N 0 3 471.627 3.377 50 0 JGAAHN Cc1ccc([C@@H](CNC(=O)c2ccc(N3C(=O)CCS3(=O)=O)cc2)N2CCCCCC2)cc1 ZINC000011998590 555881397 /nfs/dbraw/zinc/88/13/97/555881397.db2.gz CSWMOJHPWYBQEZ-HSZRJFAPSA-N 0 3 469.607 3.409 50 0 JGAAHN Cc1ccc([C@H](CNC(=O)c2cccc(N3C(=O)CCS3(=O)=O)c2)N2CCC(C)CC2)cc1 ZINC000011998642 555881529 /nfs/dbraw/zinc/88/15/29/555881529.db2.gz PBRUFBVCFKEKFP-QHCPKHFHSA-N 0 3 469.607 3.265 50 0 JGAAHN Cc1cccc(CC(=O)N2CCC([C@]3(CCc4ccccc4)NC(=O)N(CCN(C)C)C3=O)CC2)c1 ZINC000012034342 555887954 /nfs/dbraw/zinc/88/79/54/555887954.db2.gz KFFUOCXVAXLUIE-LJAQVGFWSA-N 0 3 490.648 3.261 50 0 JGAAHN COC[C@H]1CCCN(Cc2ccc3c(c2)CN(C(=O)CCn2cnc4ccccc4c2=O)CCO3)C1 ZINC000012055591 555898477 /nfs/dbraw/zinc/89/84/77/555898477.db2.gz JRMDKMNLFPCINR-QFIPXVFZSA-N 0 3 490.604 3.066 50 0 JGAAHN CN(C)CCN1C(=O)N[C@](CCc2ccccc2)(C2CCN(C(=O)Cc3ccccc3F)CC2)C1=O ZINC000012056773 555898802 /nfs/dbraw/zinc/89/88/02/555898802.db2.gz VBTXLEQUTFRERQ-MUUNZHRXSA-N 0 3 494.611 3.092 50 0 JGAAHN COCCN1C(=O)N[C@@](Cc2cccc(OC)c2)(C2CCN(Cc3sccc3C)CC2)C1=O ZINC000012123696 555909644 /nfs/dbraw/zinc/90/96/44/555909644.db2.gz AMRVSLJRXKXJDH-VWLOTQADSA-N 0 3 471.623 3.457 50 0 JGAAHN Cc1ccc([C@@H](C)CCN2CCc3nnc(CCNC(=O)Cc4ccc(F)cc4)n3CC2)o1 ZINC000012150306 555922515 /nfs/dbraw/zinc/92/25/15/555922515.db2.gz FIHLHDVVLTVNQU-SFHVURJKSA-N 0 3 453.562 3.272 50 0 JGAAHN CCc1c(C(=O)N2CCN(Cc3ccccc3)CC2)c(=O)cc(C)n1CCN1CCCCC1 ZINC000012154970 555927564 /nfs/dbraw/zinc/92/75/64/555927564.db2.gz NTTIEYHKOITQBR-UHFFFAOYSA-N 0 3 450.627 3.163 50 0 JGAAHN CN(CC1CCN(Cc2ccccc2)CC1)C(=O)C[C@]1(c2cccc(F)c2)CC(=O)N(C)C1=O ZINC000012156974 555928998 /nfs/dbraw/zinc/92/89/98/555928998.db2.gz VBMHJWHNLLENOX-HHHXNRCGSA-N 0 3 465.569 3.213 50 0 JGAAHN CN(CC1CCN(Cc2ccccc2)CC1)C(=O)C[C@@]1(c2cccc(F)c2)CC(=O)N(C)C1=O ZINC000012156968 555929016 /nfs/dbraw/zinc/92/90/16/555929016.db2.gz VBMHJWHNLLENOX-MHZLTWQESA-N 0 3 465.569 3.213 50 0 JGAAHN CC(=O)C1[C@@H](c2cn(-c3ccccc3)nc2-c2cccs2)NC(=O)N[C@@]1(O)C(F)(F)F ZINC000012377591 555966083 /nfs/dbraw/zinc/96/60/83/555966083.db2.gz AYGNXWODYGPIQA-SUMDDJOVSA-N 0 3 450.442 3.411 50 0 JGAAHN 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ZINC000022937268 555990264 /nfs/dbraw/zinc/99/02/64/555990264.db2.gz PTFMWKFXTNOBMS-KRWDZBQOSA-N 0 3 474.652 3.448 50 0 JGAAHN Cn1ccc2cc(S(=O)(=O)N3CCC[C@H](C(=O)NCCCN4CCc5ccccc5C4)C3)ccc21 ZINC000015784505 556003462 /nfs/dbraw/zinc/00/34/62/556003462.db2.gz HWZXFPUYAZAJLE-DEOSSOPVSA-N 0 3 494.661 3.144 50 0 JGAAHN C[C@@H]1CN(S(=O)(=O)c2cccc(C(=O)NC[C@@H](c3ccccc3)N3CCCC3)c2)C[C@@H](C)O1 ZINC000023738717 556086861 /nfs/dbraw/zinc/08/68/61/556086861.db2.gz IDJPSPWAJSOEOE-REHUZNOOSA-N 0 3 471.623 3.051 50 0 JGAAHN COc1ccc([C@@H](CNC(=O)CCc2c(C)nc3nc(C(F)(F)F)nn3c2C)N(C)C)cc1 ZINC000012738674 556106915 /nfs/dbraw/zinc/10/69/15/556106915.db2.gz JTTLAOVXQULLHB-GOSISDBHSA-N 0 3 464.492 3.120 50 0 JGAAHN O=C(NC[C@H](c1ccccc1)N1CCCC1)c1ccc(S(=O)(=O)NCc2ccco2)cc1 ZINC000018019372 556277203 /nfs/dbraw/zinc/27/72/03/556277203.db2.gz RSGPIMBUDQQNAD-HSZRJFAPSA-N 0 3 453.564 3.325 50 0 JGAAHN CC1CCN([C@@H](CNC(=O)NCc2ccc(S(=O)(=O)N(C)C)s2)c2cccs2)CC1 ZINC000029655194 556354673 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C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)Nc1ccc(N3CCN(Cc4ccccc4)CC3)cc1)C2=O ZINC000062733094 569614665 /nfs/dbraw/zinc/61/46/65/569614665.db2.gz IJJHGQUBOSCSLP-LYZGTLIUSA-N 0 3 489.620 3.448 50 0 JGAAHN Cn1ccc(C(=O)NC[C@@H]2CCC3(CCN(Cc4cnc(-c5ccccc5)s4)CC3)O2)n1 ZINC000064002170 569615984 /nfs/dbraw/zinc/61/59/84/569615984.db2.gz URXHRLCZOWJDGP-IBGZPJMESA-N 0 3 451.596 3.487 50 0 JGAAHN CCc1ccc(-c2nc3sc(N(C)CC(=O)NCCN(C)C)nn3c2NC(C)(C)C)cc1 ZINC000064703717 569624452 /nfs/dbraw/zinc/62/44/52/569624452.db2.gz DKAGIWLFFAXQFC-UHFFFAOYSA-N 0 3 457.648 3.345 50 0 JGAAHN O=C(/C=C/c1ccc(F)cc1)NCCCN1CCN(CCCNC(=O)/C=C\c2ccc(F)cc2)CC1 ZINC000033456586 569626442 /nfs/dbraw/zinc/62/64/42/569626442.db2.gz ZMXGFHMNCLEKBG-MFUUIURDSA-N 0 3 496.602 3.322 50 0 JGAAHN O=C(NCCN1CCCCC1)c1nnc(N2CCN(c3ccccc3F)CC2)c2ccccc21 ZINC000034837442 569666603 /nfs/dbraw/zinc/66/66/03/569666603.db2.gz XPMGPWSUOBQRHZ-UHFFFAOYSA-N 0 3 462.573 3.311 50 0 JGAAHN CN(C(=O)[C@@H]1CC(=O)N(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1)[C@@H]1CCN(C)C1 ZINC000034916913 569672004 /nfs/dbraw/zinc/67/20/04/569672004.db2.gz QZYLIHNTZYPEFM-CZUORRHYSA-N 0 3 451.411 3.235 50 0 JGAAHN CCOC(=O)C1=C(CN2CCN(C3CCCCC3)CC2)NC(=O)N[C@@H]1c1ccc(F)c(F)c1 ZINC000067286005 569683705 /nfs/dbraw/zinc/68/37/05/569683705.db2.gz RJMBADPWAZSIGV-JOCHJYFZSA-N 0 3 462.541 3.086 50 0 JGAAHN Cc1ccc(S(=O)(=O)NCCC(=O)Nc2ccc(N(C)C3CCN(C)CC3)cc2)cc1C ZINC000078648411 569706420 /nfs/dbraw/zinc/70/64/20/569706420.db2.gz BLNZGGLIAIVTNG-UHFFFAOYSA-N 0 3 458.628 3.141 50 0 JGAAHN CN(C)CCNC(=O)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CCN(Cc3ccccc3)C[C@H]12 ZINC000035871207 569718537 /nfs/dbraw/zinc/71/85/37/569718537.db2.gz PHUHFXIIKSROFJ-FYYLOGMGSA-N 0 3 460.544 3.246 50 0 JGAAHN O=c1cc(CN2CC[NH+](C3CCCCC3)CC2)nc(N2CCN(Cc3cccc(Cl)c3)CC2)[n-]1 ZINC000035926863 569730037 /nfs/dbraw/zinc/73/00/37/569730037.db2.gz LCUVMNDRMFSCBO-UHFFFAOYSA-N 0 3 485.076 3.196 50 0 JGAAHN COCCCN(Cc1c(-c2ccc(F)cc2)noc1N1CCOCC1)C[C@H](O)COCC(C)C ZINC000036249711 569758007 /nfs/dbraw/zinc/75/80/07/569758007.db2.gz UFPJZRWDAFROKD-QFIPXVFZSA-N 0 3 479.593 3.189 50 0 JGAAHN CN(C)CCNC(=O)CCN(Cc1ccco1)C(=O)c1csc(Nc2ccc(F)cc2)n1 ZINC000037425783 569789053 /nfs/dbraw/zinc/78/90/53/569789053.db2.gz DRFLSZZUNYKQBT-UHFFFAOYSA-N 0 3 459.547 3.329 50 0 JGAAHN Cc1s/c(=N\C(=O)c2cccc(Cl)c2)n(Cc2ccc(C(=O)NCCN(C)C)o2)c1C ZINC000037428331 569789752 /nfs/dbraw/zinc/78/97/52/569789752.db2.gz HPXLUFWEMJQRLT-LVWGJNHUSA-N 0 3 460.987 3.494 50 0 JGAAHN CCNC(=O)NC1CCN(c2ccccc2C(=O)N2CCN(C3CCCCCC3)CC2)CC1 ZINC000037525238 569793449 /nfs/dbraw/zinc/79/34/49/569793449.db2.gz HUULQAFKDVKNOM-UHFFFAOYSA-N 0 3 455.647 3.455 50 0 JGAAHN Cn1c(SCC(=O)NC2CCN(Cc3ccccc3)CC2)nnc1[C@@H]1COc2ccccc2O1 ZINC000039983375 569812803 /nfs/dbraw/zinc/81/28/03/569812803.db2.gz LFXMNLLBHZIRFE-QFIPXVFZSA-N 0 3 479.606 3.201 50 0 JGAAHN Cn1c(SCC(=O)NC2CCN(Cc3ccccc3)CC2)nnc1[C@H]1COc2ccccc2O1 ZINC000039983376 569812824 /nfs/dbraw/zinc/81/28/24/569812824.db2.gz LFXMNLLBHZIRFE-JOCHJYFZSA-N 0 3 479.606 3.201 50 0 JGAAHN COC(=O)C1=C(C)N=C2SC=C(CC(=O)NCCN3CCCCC3)N2[C@H]1c1ccc(OC)cc1 ZINC000102746838 569820151 /nfs/dbraw/zinc/82/01/51/569820151.db2.gz LDYJQZANDIYVRM-QHCPKHFHSA-N 0 3 484.622 3.435 50 0 JGAAHN COC(=O)C1=C(C)N=C2SC=C(CC(=O)NCCN3CCCC3)N2[C@@H]1c1ccccc1F ZINC000102746803 569820172 /nfs/dbraw/zinc/82/01/72/569820172.db2.gz ZFTJTAFNNZIDSH-OAQYLSRUSA-N 0 3 458.559 3.176 50 0 JGAAHN CSCC[C@@H](NC(=O)c1ccccc1Br)C(=O)NC[C@H](C)N1CCCCC1 ZINC000040157563 569821669 /nfs/dbraw/zinc/82/16/69/569821669.db2.gz OQAGGBXKJQFERX-MAUKXSAKSA-N 0 3 456.450 3.291 50 0 JGAAHN CCC1=C(C(=O)OC)[C@@H](c2ccccc2OC)N2C(CC(=O)NCCN3CCCC3)=CSC2=N1 ZINC000102761700 569822168 /nfs/dbraw/zinc/82/21/68/569822168.db2.gz QZHZTXDVMLCGBV-HSZRJFAPSA-N 0 3 484.622 3.435 50 0 JGAAHN CCC1=C(C(=O)OC)[C@@H](c2cccc(OC)c2)N2C(CC(=O)N3CC[C@H](N(C)C)C3)=CSC2=N1 ZINC000103052807 569832295 /nfs/dbraw/zinc/83/22/95/569832295.db2.gz WDLBLXYLOOBEQT-GAJHUEQPSA-N 0 3 484.622 3.386 50 0 JGAAHN Cc1nn(-c2ccc(F)cc2)c(C)c1CC(=O)Nc1ccc2nc(CN3CCN(C)CC3)[nH]c2c1 ZINC000048313562 569845841 /nfs/dbraw/zinc/84/58/41/569845841.db2.gz NPGGNEYRVGGUGF-UHFFFAOYSA-N 0 3 475.572 3.433 50 0 JGAAHN CSc1cccc(NC(=O)C2CC(=O)Nc3c2c(=O)[nH]c(=O)n3CCc2ccccc2)c1 ZINC000049551661 569848614 /nfs/dbraw/zinc/84/86/14/569848614.db2.gz GGERPLWUFJGNGY-KRWDZBQOSA-N 0 3 450.520 3.215 50 0 JGAAHN CN(C)CCNC(=O)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CCN(Cc3ccccc3)C[C@@H]12 ZINC000169678939 569869438 /nfs/dbraw/zinc/86/94/38/569869438.db2.gz PHUHFXIIKSROFJ-GMAHTHKFSA-N 0 3 460.544 3.246 50 0 JGAAHN CCOC(=O)c1noc2nc(C)nc(NCCCN3CCN(c4cccc(C)c4)[C@@H](C)C3)c12 ZINC000169793303 569872562 /nfs/dbraw/zinc/87/25/62/569872562.db2.gz SEMBBWHITIFBON-KRWDZBQOSA-N 0 3 452.559 3.424 50 0 JGAAHN O=C(NC1CCN(Cc2ccccc2)CC1)c1ccc(Cn2nnc3ccccc3c2=O)cc1 ZINC000197726589 569873802 /nfs/dbraw/zinc/87/38/02/569873802.db2.gz DTQQAXLMNNDSEM-UHFFFAOYSA-N 0 3 453.546 3.234 50 0 JGAAHN O=C(c1cnn2c1OCCC2)N1CCC(N2CCC(Oc3ccc(C(F)(F)F)cn3)CC2)CC1 ZINC000245015185 570054563 /nfs/dbraw/zinc/05/45/63/570054563.db2.gz LPPKKACRFNUMDT-UHFFFAOYSA-N 0 3 479.503 3.227 50 0 JGAAHN O=C1C2=C(C(O)n3nnc4ccccc43)N3c4ccccc4C=C[C@H]3C2C(=O)N1c1ccc(F)cc1 ZINC000247703671 570068733 /nfs/dbraw/zinc/06/87/33/570068733.db2.gz BRBRZCNNNUKVTD-ZJZGAYNASA-N 0 3 479.471 3.301 50 0 JGAAHN O=C1C2=C(C(O)n3nnc4ccccc43)N3c4ccccc4C=C[C@@H]3C2C(=O)N1c1ccc(F)cc1 ZINC000247703670 570068869 /nfs/dbraw/zinc/06/88/69/570068869.db2.gz BRBRZCNNNUKVTD-SBFWRKJZSA-N 0 3 479.471 3.301 50 0 JGAAHN Cc1ncnc(C)c1C(=O)N1CCC(N2CCN(c3ccc(C(F)(F)F)cn3)C[C@@H]2C)CC1 ZINC000252484763 570081723 /nfs/dbraw/zinc/08/17/23/570081723.db2.gz GGZUFHOHIXIYOI-HNNXBMFYSA-N 0 3 462.520 3.323 50 0 JGAAHN C[C@@H]1CCCCN1S(=O)(=O)c1ccc2[nH]c(=O)cc(C(=O)NCCN3CCCC[C@@H]3C)c2c1 ZINC000253530841 570102964 /nfs/dbraw/zinc/10/29/64/570102964.db2.gz UVWYKXSMHRSXEK-ZWKOTPCHSA-N 0 3 474.627 3.108 50 0 JGAAHN Cc1ccc(Cn2nc(CNCCc3ccc(S(N)(=O)=O)cc3)c(-c3ccccc3)n2)cc1 ZINC000261492465 570170053 /nfs/dbraw/zinc/17/00/53/570170053.db2.gz BMWQDSRDMHZQLI-UHFFFAOYSA-N 0 3 461.591 3.282 50 0 JGAAHN CC[C@@H](C)NC(=O)CSC1=Nc2ccccc2C2=NC(CC(=O)NCCc3ccccc3)C(=O)N21 ZINC000002968723 194186547 /nfs/dbraw/zinc/18/65/47/194186547.db2.gz OMUMXNDBMZATCR-DYESRHJHSA-N 0 3 491.617 3.042 50 0 JGAAHN CCCCn1c(N)c(N(Cc2ccccc2)C(=O)CN2CCC[C@@H]3CCCC[C@@H]32)c(=O)[nH]c1=O ZINC000009869135 195005164 /nfs/dbraw/zinc/00/51/64/195005164.db2.gz NDDBMDSCFDLVGH-SFTDATJTSA-N 0 3 467.614 3.107 50 0 JGAAHN O=C(Cn1nc(Cc2ccncc2)c2ccccc2c1=O)NC1CCN(Cc2ccccc2)CC1 ZINC000009860815 195001506 /nfs/dbraw/zinc/00/15/06/195001506.db2.gz NIRZNZOYKFDDLG-UHFFFAOYSA-N 0 3 467.573 3.163 50 0 JGAAHN COc1ccc(C(=O)NCc2ccccc2CN(C)C)cc1S(=O)(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000021405334 195301008 /nfs/dbraw/zinc/30/10/08/195301008.db2.gz QLPVUIVOQHSINQ-KDURUIRLSA-N 0 3 473.639 3.353 50 0 JGAAHN CCN(C(=O)CN1C(=O)N[C@]2(CCc3ccccc32)C1=O)[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000058331623 195377994 /nfs/dbraw/zinc/37/79/94/195377994.db2.gz FNAKJDLXBACTLA-JNMBUGSCSA-N 0 3 460.578 3.064 50 0 JGAAHN O=C(Cn1c(=O)cnc2ccccc21)Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1 ZINC000058171297 195370996 /nfs/dbraw/zinc/37/09/96/195370996.db2.gz DDNHVFJEBBCVQA-UHFFFAOYSA-N 0 3 453.546 3.357 50 0 JGAAHN O=C(N[C@H](Cc1ccccc1)CN1CCCCC1)c1cccc(S(=O)(=O)NCC2CC2)c1 ZINC000058314986 195377375 /nfs/dbraw/zinc/37/73/75/195377375.db2.gz LJFDMRDBWDMCEM-HSZRJFAPSA-N 0 3 455.624 3.202 50 0 JGAAHN COc1cccc(N2CCN(C[C@@H]3C(=O)O[C@@H]4C[C@@]5(C)CCC[C@@](C)(OC)[C@]5(O)C[C@@H]43)CC2)c1 ZINC000059415063 195399519 /nfs/dbraw/zinc/39/95/19/195399519.db2.gz HWGAGESRKNXOOM-ODKWTEPVSA-N 0 3 472.626 3.095 50 0 biogenic JGAAHN COc1ccc(S(=O)(=O)Oc2cccc(CN(CCN(C)C)C(=O)NC(C)(C)C)c2)cc1F ZINC000096289249 130035105 /nfs/dbraw/zinc/03/51/05/130035105.db2.gz PDDUQUBWKXIBBQ-UHFFFAOYSA-N 0 3 481.590 3.474 50 0 JGAAHN COc1ccc(S(=O)(=O)Oc2cccc(CN(CCN(C)C)C(=O)NC(C)C)c2)cc1F ZINC000096289254 130035176 /nfs/dbraw/zinc/03/51/76/130035176.db2.gz SOZIDSOVSLFJRO-UHFFFAOYSA-N 0 3 467.563 3.084 50 0 JGAAHN CSCC[C@H](NS(=O)(=O)/C=C\c1ccccc1)C(=O)NCc1ccccc1CN(C)C ZINC000096401347 130078165 /nfs/dbraw/zinc/07/81/65/130078165.db2.gz IUVIZGHRZCSOMT-OZDVPOGGSA-N 0 3 461.653 3.076 50 0 JGAAHN CC(=O)C1[C@H](c2cn(-c3ccccc3)nc2-c2cccs2)NC(=O)N[C@]1(O)C(F)(F)F ZINC000004436360 518210704 /nfs/dbraw/zinc/21/07/04/518210704.db2.gz AYGNXWODYGPIQA-HHXXYDBFSA-N 0 3 450.442 3.411 50 0 JGAAHN CCCN1CCN(c2ncnc3sc(C(=O)NCc4cc(OC)ccc4OC)c(C)c32)CC1 ZINC000033048413 519860407 /nfs/dbraw/zinc/86/04/07/519860407.db2.gz CBOPAJNTNNLHPB-UHFFFAOYSA-N 0 3 469.611 3.479 50 0 JGAAHN CCCN1CCN(c2ncnc3sc(C(=O)N4CCN(c5ccccc5)CC4)c(C)c32)CC1 ZINC000033048379 519860662 /nfs/dbraw/zinc/86/06/62/519860662.db2.gz ASWIATVCSROKLP-UHFFFAOYSA-N 0 3 464.639 3.494 50 0 JGAAHN CCCN1CCN(c2nnc(-n3cccc3CN3CCN(Cc4ccccc4)CC3)s2)CC1 ZINC000021880794 519861003 /nfs/dbraw/zinc/86/10/03/519861003.db2.gz HLFYMRISOCRZIR-UHFFFAOYSA-N 0 3 465.671 3.179 50 0 JGAAHN CCCCN(C)CCNC(=O)[C@H]1c2ccccc2C(=O)N2CCc3cc(OC)c(OC)cc3[C@H]12 ZINC000008661528 520407052 /nfs/dbraw/zinc/40/70/52/520407052.db2.gz QHJSFMZXNJYNLD-LOSJGSFVSA-N 0 3 465.594 3.389 50 0 JGAAHN CCOc1ccc(-c2cc3n(n2)C[C@](C)(C(=O)NC2CCCCC2)N(CCN(C)C)C3=O)cc1 ZINC000021853357 520809536 /nfs/dbraw/zinc/80/95/36/520809536.db2.gz LPOJQEZCQXDWQP-AREMUKBSSA-N 0 3 467.614 3.174 50 0 JGAAHN CCOc1ccc(C(=O)N(CCC(=O)N2CCNCC2)C2CCN(Cc3ccccc3)CC2)cc1 ZINC000045966815 520891701 /nfs/dbraw/zinc/89/17/01/520891701.db2.gz IHGVKCXAVTVOPM-UHFFFAOYSA-N 0 3 478.637 3.014 50 0 JGAAHN CC1CCN(C(=O)c2cc([N-]S(=O)(=O)c3ccc(Cl)cc3)ccc2N2CC[NH2+]CC2)CC1 ZINC000033121000 520988419 /nfs/dbraw/zinc/98/84/19/520988419.db2.gz FTFUHMNJXNBWTO-UHFFFAOYSA-N 0 3 477.030 3.423 50 0 JGAAHN CCN(CCN(C)C)C(=O)[C@@H]1CCCN(S(=O)(=O)c2c(C)noc2/C=C/c2ccc(C)cc2)C1 ZINC000033059085 521042592 /nfs/dbraw/zinc/04/25/92/521042592.db2.gz UCAMXMKSNWBWLP-DGXIYAMASA-N 0 3 488.654 3.273 50 0 JGAAHN CCOc1ccc(S(=O)(=O)[N-]c2ccc(N3CC[NH2+]CC3)c(C(=O)N3CCC(C)CC3)c2)cc1 ZINC000033121211 521209583 /nfs/dbraw/zinc/20/95/83/521209583.db2.gz YYDNJQJHUBZXED-UHFFFAOYSA-N 0 3 486.638 3.168 50 0 JGAAHN CCOC(=O)c1c(NC(=O)CNCCc2ccccc2)sc2c1CCN(C(=O)OCC)C2 ZINC000016675932 521409213 /nfs/dbraw/zinc/40/92/13/521409213.db2.gz FXIZLWAHUNKMRQ-UHFFFAOYSA-N 0 3 459.568 3.210 50 0 JGAAHN CCN1C(=O)N(C2Cc3ccccc3C2)C(=O)C12CCN(Cc1cc3c(c(OC)c1)OCO3)CC2 ZINC000014746865 521525158 /nfs/dbraw/zinc/52/51/58/521525158.db2.gz WRBTVVTYFWBLDL-UHFFFAOYSA-N 0 3 477.561 3.210 50 0 JGAAHN CCN1CCN(c2ccc(NC(=O)COC(=O)c3cccnc3SC(F)F)cc2)CC1 ZINC000014902894 521697992 /nfs/dbraw/zinc/69/79/92/521697992.db2.gz CBCJVDAOUJLQHQ-UHFFFAOYSA-N 0 3 450.511 3.334 50 0 JGAAHN CN(C)CCN1C(=O)N[C@@](CCc2ccccc2)(C2CCN(C(=O)c3ccnc(Cl)c3)CC2)C1=O ZINC000014989370 521758058 /nfs/dbraw/zinc/75/80/58/521758058.db2.gz XRORYAGROHUJDI-SANMLTNESA-N 0 3 498.027 3.072 50 0 JGAAHN CN(C)[C@H](CNC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1F)c1ccccc1 ZINC000022622899 522081442 /nfs/dbraw/zinc/08/14/42/522081442.db2.gz IMLFJINCWRZFEG-XZOQPEGZSA-N 0 3 469.582 3.134 50 0 JGAAHN CC[C@@H](C)NC(=O)c1cc([N-]S(=O)(=O)c2ccc(C)c(Cl)c2)ccc1N1CC[NH2+]CC1 ZINC000021664345 522216331 /nfs/dbraw/zinc/21/63/31/522216331.db2.gz HHOJQTNUJWWMJP-MRXNPFEDSA-N 0 3 465.019 3.387 50 0 JGAAHN COC(=O)c1cn([C@H]2C[C@@H](C(=O)NCCc3cccc(Cl)c3)N(CC3CCCCC3)C2)nn1 ZINC000014883053 522331518 /nfs/dbraw/zinc/33/15/18/522331518.db2.gz FVOOCODWHCUAKU-UNMCSNQZSA-N 0 3 474.005 3.273 50 0 JGAAHN CN(CCCNC(=O)C1CCN(c2ccc(N3CCCCC3)nn2)CC1)Cc1ccccc1 ZINC000033256188 522755792 /nfs/dbraw/zinc/75/57/92/522755792.db2.gz ARXPXIKINVEQDE-UHFFFAOYSA-N 0 3 450.631 3.322 50 0 JGAAHN CCn1nc(C(=O)N(C)Cc2ccco2)c2c1CC[C@@H](N1CCC(N3C[C@@H](C)O[C@@H](C)C3)CC1)C2 ZINC000014743488 523609423 /nfs/dbraw/zinc/60/94/23/523609423.db2.gz SNPJAZXLGASRCG-RZUBCFFCSA-N 0 3 483.657 3.199 50 0 JGAAHN CCn1nc(C(=O)N2CCCN(C)CC2)c2c1CC[C@H](NCc1ccccc1OC(F)(F)F)C2 ZINC000014750966 523609880 /nfs/dbraw/zinc/60/98/80/523609880.db2.gz MDYBMCWFAMATMJ-SFHVURJKSA-N 0 3 479.547 3.226 50 0 JGAAHN COCCN1C(=O)N[C@@](Cc2cccc(OC)c2)(C2CCN(Cc3ccc(OC)cc3)CC2)C1=O ZINC000012244189 523805762 /nfs/dbraw/zinc/80/57/62/523805762.db2.gz SZWRENCAMHKPIW-MHZLTWQESA-N 0 3 481.593 3.096 50 0 JGAAHN COc1ccc(CCN2C(=O)N(C)C(=O)C23CCN(Cc2cccc4nccnc24)CC3)cc1 ZINC000014744636 523945407 /nfs/dbraw/zinc/94/54/07/523945407.db2.gz KGDVPKUIDSOHNK-UHFFFAOYSA-N 0 3 459.550 3.110 50 0 JGAAHN COc1ccc(C[C@@H](C)N2CCC3(CC2)C(=O)N(CCCc2ccncc2)C(=O)N3C)cc1OC ZINC000014733748 524136921 /nfs/dbraw/zinc/13/69/21/524136921.db2.gz UZKVNSBZXGBVDO-HXUWFJFHSA-N 0 3 480.609 3.391 50 0 JGAAHN Cc1ccc(CN2CC[C@H](CNC(=O)CCc3nnc4ccc(N5CCC(C)CC5)nn43)C2)cc1 ZINC000009430942 524469930 /nfs/dbraw/zinc/46/99/30/524469930.db2.gz VJVKMJRDKLAFSF-HSZRJFAPSA-N 0 3 475.641 3.240 50 0 JGAAHN COc1ccccc1CNC(=O)c1c(OC)cc(=O)n2c1CCN(C[C@@H](C)c1ccccc1)CC2 ZINC000014884422 524479393 /nfs/dbraw/zinc/47/93/93/524479393.db2.gz BAHXTAVFWGVGLJ-HXUWFJFHSA-N 0 3 475.589 3.457 50 0 JGAAHN COc1ccccc1CNC(=O)c1c(OC)cc(=O)n2c1CCN(C[C@H](C)c1ccccc1)CC2 ZINC000014884425 524479471 /nfs/dbraw/zinc/47/94/71/524479471.db2.gz BAHXTAVFWGVGLJ-FQEVSTJZSA-N 0 3 475.589 3.457 50 0 JGAAHN COc1ccc(OC)c(CNC2CCN(c3ccc(C(=O)N4CCC[C@@H](O)C4)cc3)CC2)c1 ZINC000012244320 524836067 /nfs/dbraw/zinc/83/60/67/524836067.db2.gz VFHZZXGRFOJBEH-HSZRJFAPSA-N 0 3 453.583 3.059 50 0 JGAAHN COc1ccc([C@H](CNC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)N2CCCC2)cc1 ZINC000014184744 525356963 /nfs/dbraw/zinc/35/69/63/525356963.db2.gz OOORRPKCMINHIJ-YKSBVNFPSA-N 0 3 489.613 3.188 50 0 JGAAHN Cc1[nH]nc2c1C(c1cnn(C)c1)c1c3nc(-c4nn(C)c(C(F)(F)F)c4Cl)nn3cnc1O2 ZINC000022749092 525474421 /nfs/dbraw/zinc/47/44/21/525474421.db2.gz ITTGPWYLSBLMEE-SNVBAGLBSA-N 0 3 490.837 3.248 50 0 JGAAHN Cc1ccsc1C(=O)N1CCC([C@@]2(CCc3ccccc3)NC(=O)N(CCN(C)C)C2=O)CC1 ZINC000014981554 525818122 /nfs/dbraw/zinc/81/81/22/525818122.db2.gz VAKLHLWOPJRTDM-AREMUKBSSA-N 0 3 482.650 3.394 50 0 JGAAHN C[C@H]1CCCCN1CCNC(=O)C1CCN(c2nc3cccnc3n(Cc3ccccc3)c2=O)CC1 ZINC000033258902 526248967 /nfs/dbraw/zinc/24/89/67/526248967.db2.gz YLTYOEOTKPDXTD-NRFANRHFSA-N 0 3 488.636 3.047 50 0 JGAAHN C[C@H]1CCCCN1CCNC(=O)c1ccc(N2CCCCC2)c(S(=O)(=O)N2CCCCC2)c1 ZINC000033053205 526250877 /nfs/dbraw/zinc/25/08/77/526250877.db2.gz ZNSUIAADDQJXHQ-NRFANRHFSA-N 0 3 476.687 3.456 50 0 JGAAHN Cc1ccc2[nH]c(N3CCC[C@@H](C(=O)NCCCN4CCN(c5ccccc5)CC4)C3)nc2c1 ZINC000033072167 526252868 /nfs/dbraw/zinc/25/28/68/526252868.db2.gz ZPRSDEQDSPVZTH-JOCHJYFZSA-N 0 3 460.626 3.416 50 0 JGAAHN Cc1ccc2nc(N3CCC[C@@H](C(=O)NCCCN4CCN(c5ccccc5)CC4)C3)[nH]c2c1 ZINC000033072167 526252870 /nfs/dbraw/zinc/25/28/70/526252870.db2.gz ZPRSDEQDSPVZTH-JOCHJYFZSA-N 0 3 460.626 3.416 50 0 JGAAHN O=C(NCCN1CCC(Cc2ccccc2)CC1)C1CCN(c2ccc(N3CCCC3)nn2)CC1 ZINC000033256145 526300918 /nfs/dbraw/zinc/30/09/18/526300918.db2.gz JYRLSSRLMUJKAW-UHFFFAOYSA-N 0 3 476.669 3.364 50 0 JGAAHN Cc1noc(C)c1S(=O)(=O)N1CCC([C@@H](C)C(=O)NC2CCN(Cc3ccccc3)CC2)CC1 ZINC000035459692 526548292 /nfs/dbraw/zinc/54/82/92/526548292.db2.gz CMKZFWQMCRJMGK-GOSISDBHSA-N 0 3 488.654 3.109 50 0 JGAAHN NC(=O)C1(N2CCCCC2)CCN(CC(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)CC1 ZINC000004574501 526848907 /nfs/dbraw/zinc/84/89/07/526848907.db2.gz GWUXFTBJUPTJCO-UHFFFAOYSA-N 0 3 483.012 3.315 50 0 JGAAHN O=C1NC(=O)[C@@](Cc2ccccc2F)(C2CCN(Cc3ccc(Oc4ncccn4)cc3)CC2)N1 ZINC000014880806 527052303 /nfs/dbraw/zinc/05/23/03/527052303.db2.gz HISUIZLJDFLAHG-AREMUKBSSA-N 0 3 475.524 3.441 50 0 JGAAHN O=C(NC1CCN(Cc2ccccc2)CC1)c1cc(S(=O)(=O)N2CCSCC2)ccc1Cl ZINC000033131463 527531819 /nfs/dbraw/zinc/53/18/19/527531819.db2.gz TZNBDAHYDDMRPG-UHFFFAOYSA-N 0 3 494.082 3.472 50 0 JGAAHN Cn1nc(C(=O)N2CCSCC2)c2c1CC[C@H](NCc1cc(F)cc(C(F)(F)F)c1)C2 ZINC000014732405 527542081 /nfs/dbraw/zinc/54/20/81/527542081.db2.gz MTXFNYYMJHTWOE-INIZCTEOSA-N 0 3 456.509 3.414 50 0 JGAAHN CCOc1ccc(N2C(=O)C[C@@H](NCCCN3CCN(c4cccc(Cl)c4)CC3)C2=O)cc1 ZINC000008846712 554745503 /nfs/dbraw/zinc/74/55/03/554745503.db2.gz ZHONDWQAILAUEO-HSZRJFAPSA-N 0 3 471.001 3.173 50 0 JGAAHN CCc1nn(CCCC(=O)NC2CCN(Cc3ccccc3)CC2)c(=O)c2cc3occc3n21 ZINC000008965035 554839289 /nfs/dbraw/zinc/83/92/89/554839289.db2.gz YFKRXEFKVFOHCO-UHFFFAOYSA-N 0 3 461.566 3.366 50 0 JGAAHN COc1c(Br)cc(Br)cc1CNCCCSc1nnnn1C ZINC000009193996 554967717 /nfs/dbraw/zinc/96/77/17/554967717.db2.gz VASBIYKHQICRGP-UHFFFAOYSA-N 0 3 451.188 3.016 50 0 JGAAHN CN(CCCNC(=O)C1CCN(c2ncnc3c2nc2n3CCCCC2)CC1)Cc1ccccc1 ZINC000009211242 554981010 /nfs/dbraw/zinc/98/10/10/554981010.db2.gz HYLCRFHRZZVMDW-UHFFFAOYSA-N 0 3 475.641 3.407 50 0 JGAAHN O=C(NCCCN1CCc2ccccc2C1)C1CCN(c2ncnc3c2nc2n3CCCCC2)CC1 ZINC000009211262 554981280 /nfs/dbraw/zinc/98/12/80/554981280.db2.gz HTYLSBPUQJCHNU-UHFFFAOYSA-N 0 3 487.652 3.334 50 0 JGAAHN COc1ccc2c(c1)[C@H]1C[C@@](C)(O2)N(C)C(=O)C1S(=O)(=O)c1ccc(Br)cc1 ZINC000009407632 555169199 /nfs/dbraw/zinc/16/91/99/555169199.db2.gz GODHHKGSQCRJPA-IMFGXOCKSA-N 0 3 466.353 3.355 50 0 JGAAHN CC=C1C(NCC(=O)NC2CCN(Cc3ccccc3)CC2)=NS(=O)(=O)C1c1ccc(C)cc1 ZINC000009687147 555415141 /nfs/dbraw/zinc/41/51/41/555415141.db2.gz WRCJXRGTNAISEG-UHFFFAOYSA-N 0 3 480.634 3.228 50 0 JGAAHN CCCN(CCC)Cc1ccc(CNC(=O)[C@H]2CCCN(c3nnc(N4CCCC4=O)s3)C2)o1 ZINC000009747676 555479528 /nfs/dbraw/zinc/47/95/28/555479528.db2.gz VJQKCZDDMUESAS-SFHVURJKSA-N 0 3 488.658 3.413 50 0 JGAAHN COc1ccc([C@H]2C[C@H](C(F)(F)F)n3ncc(C(=O)N4CCN5CCC[C@@H]5C4)c3N2)cc1OC ZINC000019840877 555509012 /nfs/dbraw/zinc/50/90/12/555509012.db2.gz LRWRAZXGNVOFJN-WRWLIDTKSA-N 0 3 479.503 3.481 50 0 JGAAHN CCOc1ccc(NC(=O)CCN2CCN(CCC(=O)Nc3ccc(OCC)cc3)CC2)cc1 ZINC000019881285 555526707 /nfs/dbraw/zinc/52/67/07/555526707.db2.gz QJIXYSCJBKNWCE-UHFFFAOYSA-N 0 3 468.598 3.459 50 0 JGAAHN CC[C@H](C)N(CCNC(=O)Cn1nc(Cc2cccnc2)c2ccccc2c1=O)Cc1ccco1 ZINC000009857752 555558999 /nfs/dbraw/zinc/55/89/99/555558999.db2.gz WNTXQDMEQYLLDW-FQEVSTJZSA-N 0 3 473.577 3.392 50 0 JGAAHN O=C(CC1C(=O)N(Cc2cccnc2)c2nc3ccccc3n21)Nc1ccc2c(c1)OCCO2 ZINC000019962135 555573329 /nfs/dbraw/zinc/57/33/29/555573329.db2.gz WXWBKFWOHCZANQ-FQEVSTJZSA-N 0 3 455.474 3.319 50 0 JGAAHN CCN1CCN(CCCNC(=O)c2cn(C3CCCC3)c(=O)c3c2c2ccccc2n3C)CC1 ZINC000020182288 555689629 /nfs/dbraw/zinc/68/96/29/555689629.db2.gz DCSZWXAGCMKQTL-UHFFFAOYSA-N 0 3 463.626 3.366 50 0 JGAAHN COc1ccc([C@H](CNC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)N2CCCC2)cc1 ZINC000014184746 555726023 /nfs/dbraw/zinc/72/60/23/555726023.db2.gz OOORRPKCMINHIJ-RDPSFJRHSA-N 0 3 489.613 3.188 50 0 JGAAHN COc1ccc(COC[C@H](O)CN2CCCN(c3ccc(C(F)(F)F)cn3)CC2)cc1OC ZINC000014200921 555732590 /nfs/dbraw/zinc/73/25/90/555732590.db2.gz WYUIGKIVPLUWAU-LJQANCHMSA-N 0 3 469.504 3.207 50 0 JGAAHN CCOC(=O)C1C(CN(CCOC)Cc2cccs2)=NC(=O)N[C@H]1c1cccc(OC)c1OC ZINC000020284051 555753502 /nfs/dbraw/zinc/75/35/02/555753502.db2.gz XGCASDQGCBQWCJ-NRFANRHFSA-N 0 3 489.594 3.085 50 0 JGAAHN 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ZINC000014534342 555822973 /nfs/dbraw/zinc/82/29/73/555822973.db2.gz SVCBBYUPSQGQIL-UHFFFAOYSA-N 0 3 499.615 3.351 50 0 JGAAHN CC[N@@H+]1CCC[C@H]1CNC(=O)c1cc([N-]S(=O)(=O)CC)cc2nc(-c3ccccc3)n(C)c21 ZINC000011790109 555825666 /nfs/dbraw/zinc/82/56/66/555825666.db2.gz DXJRDRBCYWGFMV-IBGZPJMESA-N 0 3 469.611 3.216 50 0 JGAAHN CC[N@H+]1CCC[C@H]1CNC(=O)c1cc([N-]S(=O)(=O)CC)cc2nc(-c3ccccc3)n(C)c21 ZINC000011790109 555825668 /nfs/dbraw/zinc/82/56/68/555825668.db2.gz DXJRDRBCYWGFMV-IBGZPJMESA-N 0 3 469.611 3.216 50 0 JGAAHN Cc1nn(C)cc1CN1CCC2(CC1)C(=O)N(Cc1ccccn1)C(=O)N2Cc1ccccc1 ZINC000014537215 555826687 /nfs/dbraw/zinc/82/66/87/555826687.db2.gz TUTRDZPNWKZFPE-UHFFFAOYSA-N 0 3 458.566 3.123 50 0 JGAAHN COc1ccc(CN2C[C@H](C(=O)Nc3ccc(F)cc3)C[C@H](C(=O)NC[C@H]3CCCO3)C2)cc1OC ZINC000014538219 555827591 /nfs/dbraw/zinc/82/75/91/555827591.db2.gz XHBKDBVFELNWIF-MIZPHKNDSA-N 0 3 499.583 3.215 50 0 JGAAHN CCOC(=O)N1CCC(NC(=O)[C@H]2CC23CCN(Cc2ccc(OC)c(OC)c2)CC3)CC1 ZINC000011841887 555834467 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/nfs/dbraw/zinc/69/24/80/569692480.db2.gz GZDOWPPVECQCFZ-UHFFFAOYSA-N 0 3 492.620 3.361 50 0 JGAAHN CCN(CC)S(=O)(=O)c1ccc2c(cc(C(=O)NCCN(C)Cc3ccccc3)n2C)c1 ZINC000035561076 569704341 /nfs/dbraw/zinc/70/43/41/569704341.db2.gz STDSFKNEILFRIA-UHFFFAOYSA-N 0 3 456.612 3.071 50 0 JGAAHN CCN1CCN(CCCNC(=O)[C@@H](C)C2CCN(C(=O)c3cc4cc(Cl)ccc4[nH]3)CC2)CC1 ZINC000035562085 569704643 /nfs/dbraw/zinc/70/46/43/569704643.db2.gz PLSJFSLJWHQAOD-IBGZPJMESA-N 0 3 488.076 3.453 50 0 JGAAHN Cc1[nH]c(C(=O)N2CCN(C3CCCCC3)CC2)c(C)c1S(=O)(=O)N1CCCCCC1 ZINC000085598214 569711138 /nfs/dbraw/zinc/71/11/38/569711138.db2.gz YFKRYKYNDCBCSS-UHFFFAOYSA-N 0 3 450.649 3.287 50 0 JGAAHN O=S(=O)(c1ccc(OCCN2CC=C(c3c[nH]c4ccccc43)CC2)cc1)N1CCOCC1 ZINC000089866583 569720223 /nfs/dbraw/zinc/72/02/23/569720223.db2.gz ZKFXHRVOLKVIAV-UHFFFAOYSA-N 0 3 467.591 3.357 50 0 JGAAHN COc1ccc2c(c1)N1CCN(c3ccc(F)cc3)C[C@@H]1[C@H](C(=O)NCCN1CCCCC1)C2 ZINC000035911112 569726310 /nfs/dbraw/zinc/72/63/10/569726310.db2.gz MCHQBCMUEZVFEE-AOYPEHQESA-N 0 3 466.601 3.304 50 0 JGAAHN COc1cccc(C(=O)/N=c2\sc(C)c(C)n2Cc2ccc(C(=O)NCCN(C)C)cc2)c1 ZINC000095927252 569730490 /nfs/dbraw/zinc/73/04/90/569730490.db2.gz NLWNWYYDMYQFMU-RFBIWTDZSA-N 0 3 466.607 3.256 50 0 JGAAHN C[C@H]1CN(c2ccccc2)CCN1C(=O)C[C@]1(c2ccccc2Cl)CC(=O)N(CCN(C)C)C1=O ZINC000039412954 569809737 /nfs/dbraw/zinc/80/97/37/569809737.db2.gz JUPKZBYWCMJUDV-CCLHPLFOSA-N 0 3 497.039 3.026 50 0 JGAAHN CCN1CCN(Cc2ccccc2CNC(=O)c2ccc(C)c(S(=O)(=O)N3CCCCC3)c2)CC1 ZINC000040089825 569815992 /nfs/dbraw/zinc/81/59/92/569815992.db2.gz CKQHJYJGIXLFOX-UHFFFAOYSA-N 0 3 498.693 3.237 50 0 JGAAHN CC1=NN(c2ccc(Cl)cc2)C(=O)[C@]12Cc1ccc(Cl)cc1N1CCN(CCO)C[C@H]12 ZINC000103899932 569838942 /nfs/dbraw/zinc/83/89/42/569838942.db2.gz IURWXMLRTACEJY-JTHBVZDNSA-N 0 3 459.377 3.442 50 0 JGAAHN COc1ccc2c(c1)N1CCN(c3ccccc3OC)C[C@@H]1[C@@H](C(=O)NCCN1CCCCC1)C2 ZINC000169678840 569869298 /nfs/dbraw/zinc/86/92/98/569869298.db2.gz TWSVHWWJMCJPKO-JYFHCDHNSA-N 0 3 478.637 3.173 50 0 JGAAHN CCCCN(C)CCNC(=O)[C@H]1c2ccccc2C(=O)N2CCc3cc(OC)c(OC)cc3[C@@H]12 ZINC000169773558 569872453 /nfs/dbraw/zinc/87/24/53/569872453.db2.gz QHJSFMZXNJYNLD-DQEYMECFSA-N 0 3 465.594 3.389 50 0 JGAAHN CCCCn1c(N)c(N(Cc2ccccc2)C(=O)CN2CCC[C@H]3CCCC[C@H]32)c(=O)[nH]c1=O ZINC000229983139 570043059 /nfs/dbraw/zinc/04/30/59/570043059.db2.gz NDDBMDSCFDLVGH-NHCUHLMSSA-N 0 3 467.614 3.107 50 0 JGAAHN COc1ccc2c(c1)N1CCN(c3ccc(C)cc3)C[C@H]1[C@H](C(=O)NCCN1CCCCC1)C2 ZINC000230138172 570045963 /nfs/dbraw/zinc/04/59/63/570045963.db2.gz GXNDPRDZNOJOCV-VPUSJEBWSA-N 0 3 462.638 3.473 50 0 JGAAHN O=C(c1ccccc1)C1c2c(O)n(-c3ccccc3)c(O)c2[C@H]2C(=O)N(c3ccccc3)C(=O)[C@H]12 ZINC000239274825 570049928 /nfs/dbraw/zinc/04/99/28/570049928.db2.gz ASOFGXIWESKJEW-HPAIXVDQSA-N 0 3 464.477 3.111 50 0 JGAAHN COc1ccc([C@@H]2C[C@H](C(F)(F)F)n3nc(C(=O)N4CCN5CCC[C@H]5C4)cc3N2)cc1OC ZINC000239433395 570052296 /nfs/dbraw/zinc/05/22/96/570052296.db2.gz XPRVNINOZFUJAL-TWOQFEAHSA-N 0 3 479.503 3.481 50 0 JGAAHN C[C@@H]1CCC[C@@H](N(CC(=O)Nc2ccc(S(N)(=O)=O)cc2)Cc2ccc3c(c2)OCO3)[C@H]1C ZINC000241776799 570053369 /nfs/dbraw/zinc/05/33/69/570053369.db2.gz RSRLVRDTTGABOT-LLGFUMIMSA-N 0 3 473.595 3.328 50 0 JGAAHN O=C1C2=C(C(O)n3nnc4ccccc43)N3c4ccccc4C=C[C@@H]3C2C(=O)N1c1ccccc1F ZINC000247706494 570068769 /nfs/dbraw/zinc/06/87/69/570068769.db2.gz FHZFSVQHORGVGB-SBFWRKJZSA-N 0 3 479.471 3.301 50 0 JGAAHN CN1CCCCC[C@@H]1C(=O)N1CCC2(C[C@H]2C(=O)N2CCN(C/C=C/c3ccccc3)CC2)CC1 ZINC000248119777 570074454 /nfs/dbraw/zinc/07/44/54/570074454.db2.gz JPVMETMUNBNBFZ-PEWONRNSSA-N 0 3 478.681 3.347 50 0 JGAAHN COc1cccc(CNC(=O)CC[C@H]2CN(Cc3ccccc3)CC[C@H]2N2CCN(C)CC2)c1OC ZINC000299783022 570176543 /nfs/dbraw/zinc/17/65/43/570176543.db2.gz YYMMWVCODCXLLK-IZZNHLLZSA-N 0 3 494.680 3.238 50 0 JGAAHN CCCN1CCC([N@@H+]2CC[C@@H](N3CCN(c4ccccc4F)CC3)[C@@H](CCC(=O)[O-])C2)CC1 ZINC000299789431 570177053 /nfs/dbraw/zinc/17/70/53/570177053.db2.gz WTOIBMMIRRUTQP-XUZZJYLKSA-N 0 3 460.638 3.377 50 0 JGAAHN CCCN1CCC([N@H+]2CC[C@@H](N3CCN(c4ccccc4F)CC3)[C@@H](CCC(=O)[O-])C2)CC1 ZINC000299789431 570177054 /nfs/dbraw/zinc/17/70/54/570177054.db2.gz WTOIBMMIRRUTQP-XUZZJYLKSA-N 0 3 460.638 3.377 50 0 JGAAHN CC[C@H](C)NC(=O)CSC1=Nc2ccccc2C2=NC(CC(=O)NCc3cccs3)C(=O)N21 ZINC000002967737 194185470 /nfs/dbraw/zinc/18/54/70/194185470.db2.gz WMQCMYRJCMDABZ-KSSFIOAISA-N 0 3 483.619 3.061 50 0 JGAAHN CCCCNC(=O)CC1N=C2c3ccccc3N=C(SCC(=O)Nc3cccc(OC)c3)N2C1=O ZINC000002968045 194185572 /nfs/dbraw/zinc/18/55/72/194185572.db2.gz DDPBRIQMBAVLLV-HXUWFJFHSA-N 0 3 493.589 3.332 50 0 JGAAHN COc1ccc(Cn2c(=O)[nH]c3cc(C(=O)NC4CCN(Cc5ccccc5)CC4)ccc3c2=O)cc1 ZINC000004791485 194399671 /nfs/dbraw/zinc/39/96/71/194399671.db2.gz ZVXTVMXJNMLGHC-UHFFFAOYSA-N 0 3 498.583 3.141 50 0 JGAAHN COc1ccc([C@H](CNC(=O)c2ccc(S(=O)(=O)N3C[C@H](C)C[C@H](C)C3)cc2)N(C)C)cc1 ZINC000009613074 194819228 /nfs/dbraw/zinc/81/92/28/194819228.db2.gz SLEZRUPRYHGPTI-GLDPYIMESA-N 0 3 473.639 3.395 50 0 JGAAHN COC(=O)c1ccc(N2CCC(CCC(=O)N[C@H]3CCN(Cc4ccccc4)C3)CC2)nc1 ZINC000012710789 195094865 /nfs/dbraw/zinc/09/48/65/195094865.db2.gz CLXWZKBUGHRFIL-QHCPKHFHSA-N 0 3 450.583 3.256 50 0 JGAAHN CCN1CCN(c2ccc(NC(=O)c3ccc4c(c3)CCCN4S(C)(=O)=O)cc2C)CC1 ZINC000012769218 195116381 /nfs/dbraw/zinc/11/63/81/195116381.db2.gz NNCFRYSLXXAYCR-UHFFFAOYSA-N 0 3 456.612 3.101 50 0 JGAAHN COc1cc(C(=O)N[C@H](C)C(=O)NC[C@H](c2cccs2)N2CCC(C)CC2)cc(OC)c1OC ZINC000012770672 195117191 /nfs/dbraw/zinc/11/71/91/195117191.db2.gz OERMZKBMWFLKHH-IEBWSBKVSA-N 0 3 489.638 3.482 50 0 JGAAHN O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)N1CCN(c2ccncc2)CC1 ZINC000012786324 195128529 /nfs/dbraw/zinc/12/85/29/195128529.db2.gz UJRABELUWCOBSC-UHFFFAOYSA-N 0 3 485.009 3.275 50 0 JGAAHN CCN1CCC[C@@H]1CNC(=O)c1cc2nc(-c3ccc4c(c3)OCO4)cc(C(F)(F)F)n2n1 ZINC000012844928 195151669 /nfs/dbraw/zinc/15/16/69/195151669.db2.gz MWNCIARKMOOLBC-CQSZACIVSA-N 0 3 461.444 3.358 50 0 JGAAHN COc1ccc(CN2CCc3nnc(CCNC(=O)c4ccc(F)cc4)n3CC2)c(C)c1C ZINC000020781468 195224857 /nfs/dbraw/zinc/22/48/57/195224857.db2.gz URLKWBUTEBZZOF-UHFFFAOYSA-N 0 3 451.546 3.073 50 0 JGAAHN O=C(CCn1ccc2cc(S(=O)(=O)N3CCCCC3)ccc21)NCCN1CCCCCC1 ZINC000020937426 195253740 /nfs/dbraw/zinc/25/37/40/195253740.db2.gz LAZJZQYURKNJRJ-UHFFFAOYSA-N 0 3 460.644 3.198 50 0 JGAAHN COc1ccc([C@@H]2c3c4ccccc4n(C)c3C(=O)N2CC(=O)NCCN2CCCCC2)cc1 ZINC000020939107 195254493 /nfs/dbraw/zinc/25/44/93/195254493.db2.gz SHQWSZRSOJCGCR-RUZDIDTESA-N 0 3 460.578 3.334 50 0 JGAAHN O=C(CC[C@H]1CN(Cc2ccc(Cl)cc2)CC[C@H]1N1CCOCC1)NCc1ccncc1 ZINC000020999301 195265448 /nfs/dbraw/zinc/26/54/48/195265448.db2.gz AMBBLYRMNHZWCK-LADGPHEKSA-N 0 3 457.018 3.354 50 0 JGAAHN COc1ccc(C(=O)NCc2ccccc2CN(C)C)cc1S(=O)(=O)N1C[C@@H](C)C[C@H](C)C1 ZINC000021405346 195301060 /nfs/dbraw/zinc/30/10/60/195301060.db2.gz QLPVUIVOQHSINQ-OALUTQOASA-N 0 3 473.639 3.353 50 0 JGAAHN O=C1CCCc2cc(S(=O)(=O)N3CCC(CN4CCc5ccccc5C4)CC3)ccc2N1 ZINC000021888188 195325512 /nfs/dbraw/zinc/32/55/12/195325512.db2.gz BDTIQGCTQIAJJG-UHFFFAOYSA-N 0 3 453.608 3.420 50 0 JGAAHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)c1ccc(Cl)c(NC(=O)c2cccs2)c1 ZINC000058341626 195378297 /nfs/dbraw/zinc/37/82/97/195378297.db2.gz MXPGCCZBWGDFTO-SFHVURJKSA-N 0 3 463.003 3.326 50 0 JGAAHN CC1=C(c2ccc(C)c(C)c2)S(=O)(=O)N(Cc2ccc(C(=O)NCCN3CCCC3)cc2)C1=O ZINC000021913473 195331380 /nfs/dbraw/zinc/33/13/80/195331380.db2.gz FTRHFRZDODVMOG-UHFFFAOYSA-N 0 3 481.618 3.232 50 0 JGAAHN C[C@@H]1CCC[C@@H](N(CC(=O)Nc2ccc(S(N)(=O)=O)cc2)Cc2ccc3c(c2)OCO3)[C@@H]1C ZINC000058175758 195371726 /nfs/dbraw/zinc/37/17/26/195371726.db2.gz RSRLVRDTTGABOT-CBGDNZLLSA-N 0 3 473.595 3.328 50 0 JGAAHN CC(C)CNC(=O)c1cc([N-]S(=O)(=O)c2ccc(C(C)C)cc2)ccc1N1CC[NH2+]CC1 ZINC000033121158 519741159 /nfs/dbraw/zinc/74/11/59/519741159.db2.gz JIMMTHIYVBCTGP-UHFFFAOYSA-N 0 3 458.628 3.406 50 0 JGAAHN CC(C)[C@H](NS(C)(=O)=O)c1nnc2n1CCN(Cc1ccc(N(C)c3ccccc3)cc1)CC2 ZINC000014988048 519821473 /nfs/dbraw/zinc/82/14/73/519821473.db2.gz GIOZVHNLCUMFLH-DEOSSOPVSA-N 0 3 482.654 3.351 50 0 JGAAHN CCCN1CCN(c2ncnc3sc(C(=O)NCc4ccc(OC)c(OC)c4)c(C)c32)CC1 ZINC000033048476 519860472 /nfs/dbraw/zinc/86/04/72/519860472.db2.gz FLYJRPJAADDZGC-UHFFFAOYSA-N 0 3 469.611 3.479 50 0 JGAAHN CCOC[C@H](O)CN(CCc1nc(-c2cc(OC)c(OC)c(OC)c2)no1)Cc1ccccc1 ZINC000036154801 520155277 /nfs/dbraw/zinc/15/52/77/520155277.db2.gz YTZLUPYSXDZNDS-HXUWFJFHSA-N 0 3 471.554 3.205 50 0 JGAAHN CCC[C@@]1(C2CCN(C(=O)c3ccc(F)cc3F)CC2)NC(=O)N(CC[C@H]2CCCN2C)C1=O ZINC000014884376 520955348 /nfs/dbraw/zinc/95/53/48/520955348.db2.gz BXMVXTMLORVNFT-CLOONOSVSA-N 0 3 476.568 3.392 50 0 JGAAHN CCCCc1ncc(CN2CCC3(CC2)C(=O)N(CCOC)C(=O)N3Cc2ccccc2)[nH]1 ZINC000014753610 521294869 /nfs/dbraw/zinc/29/48/69/521294869.db2.gz GUSNDHDMXSRHPG-UHFFFAOYSA-N 0 3 453.587 3.198 50 0 JGAAHN CCOC(=O)c1noc2nc(C)nc(NCCCN3CCN(c4cccc(C)c4)[C@H](C)C3)c12 ZINC000035504689 521607303 /nfs/dbraw/zinc/60/73/03/521607303.db2.gz SEMBBWHITIFBON-QGZVFWFLSA-N 0 3 452.559 3.424 50 0 JGAAHN CCN1CCC[C@@H]1CNC(=O)CCC(=O)N1CCCn2nc(-c3cn(C)c4ccccc34)cc21 ZINC000021533138 521635235 /nfs/dbraw/zinc/63/52/35/521635235.db2.gz VMJBWLAMWJDJGE-LJQANCHMSA-N 0 3 462.598 3.159 50 0 JGAAHN CCN1CCC[C@H]1CNC(=O)c1ccc(N2CCCCC2)c(S(=O)(=O)N2CCCCC2)c1 ZINC000033053152 521656947 /nfs/dbraw/zinc/65/69/47/521656947.db2.gz UKEATQICOLNCBE-NRFANRHFSA-N 0 3 462.660 3.066 50 0 JGAAHN CCCn1nc(C(=O)N2CCOCC2)c2c1CC[C@@H](NCc1ccccc1OC(F)(F)F)C2 ZINC000014740773 521664071 /nfs/dbraw/zinc/66/40/71/521664071.db2.gz ICASJTFXTIAUJD-QGZVFWFLSA-N 0 3 466.504 3.311 50 0 JGAAHN CCN1CCN(CCCNC(=O)CCc2cn(-c3ccccc3)nc2-c2ccc3c(c2)OCO3)CC1 ZINC000033255186 521679714 /nfs/dbraw/zinc/67/97/14/521679714.db2.gz CVAPKEBAJKAINT-UHFFFAOYSA-N 0 3 489.620 3.344 50 0 JGAAHN CCN1CCN(CCCNC(=O)c2ccc(C[S@](=O)c3ccc(Br)cc3)o2)CC1 ZINC000020514781 521681358 /nfs/dbraw/zinc/68/13/58/521681358.db2.gz NHICAPQQJUYIAW-GDLZYMKVSA-N 0 3 482.444 3.107 50 0 JGAAHN CN(C)CCN1C(=O)N[C@](CCc2ccccc2)(C2CCN(C(=O)Cc3ccsc3)CC2)C1=O ZINC000014993729 521757957 /nfs/dbraw/zinc/75/79/57/521757957.db2.gz DFGGNISIUSOBAC-AREMUKBSSA-N 0 3 482.650 3.014 50 0 JGAAHN CN(C)CCNC(=O)c1ccc(NC(=O)c2nnc(COc3ccc(Cl)cc3)s2)cc1 ZINC000033027901 521784037 /nfs/dbraw/zinc/78/40/37/521784037.db2.gz SBZDVOMFSHDUKA-UHFFFAOYSA-N 0 3 459.959 3.314 50 0 JGAAHN CN(C)[C@@H](CNC(=O)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)c1ccccc1 ZINC000009127332 522012519 /nfs/dbraw/zinc/01/25/19/522012519.db2.gz ROWOXZNIKZCTJD-NRFANRHFSA-N 0 3 450.004 3.160 50 0 JGAAHN CN(C)[C@@H](CNC(=O)c1cccc(S(=O)(=O)N2CCN(c3ccccc3)CC2)c1)c1ccccc1 ZINC000016599398 522026491 /nfs/dbraw/zinc/02/64/91/522026491.db2.gz NNJVITHXROPNSF-SANMLTNESA-N 0 3 492.645 3.230 50 0 JGAAHN COc1cc(CN[C@@H]2CCc3c(c(C(=O)N(C)Cc4ccccc4)nn3C)C2)cc(OC)c1OC ZINC000014745227 522479629 /nfs/dbraw/zinc/47/96/29/522479629.db2.gz HYWOLSWQUMEOTC-HXUWFJFHSA-N 0 3 478.593 3.365 50 0 JGAAHN CN(CCc1noc(-c2ccc(C(=O)NCCN3CCCC3)cc2)n1)C(=O)Nc1ccccc1 ZINC000033277853 522996636 /nfs/dbraw/zinc/99/66/36/522996636.db2.gz OORPAFDRZWWNPJ-UHFFFAOYSA-N 0 3 462.554 3.269 50 0 JGAAHN COc1cc2c(cc1OC)[C@H](C)N(CC1(Cc3ccc(C)s3)C(=O)N(C)C(=O)N(C)C1=O)CC2 ZINC000020411406 523045205 /nfs/dbraw/zinc/04/52/05/523045205.db2.gz FHCZYRRRJLFSLZ-INIZCTEOSA-N 0 3 485.606 3.272 50 0 biogenic JGAAHN COc1ccc(-c2noc3ncnc(N4CCC(C(=O)NCCN5CCCCC5)CC4)c32)cc1 ZINC000033084879 523304565 /nfs/dbraw/zinc/30/45/65/523304565.db2.gz SHZQILUWFSHLKS-UHFFFAOYSA-N 0 3 464.570 3.112 50 0 JGAAHN CCn1nc(C)c(CN2CCC([C@]3(CC)NC(=O)N(C[C@H]4COc5ccccc5O4)C3=O)CC2)c1C ZINC000014990846 523641085 /nfs/dbraw/zinc/64/10/85/523641085.db2.gz QLCXUSOXSWARLM-IDISGSTGSA-N 0 3 495.624 3.272 50 0 JGAAHN CN1CCCCC[C@@H]1C(=O)N1CCC2(C[C@@H]2C(=O)N2CCN(C/C=C/c3ccccc3)CC2)CC1 ZINC000014880268 523790226 /nfs/dbraw/zinc/79/02/26/523790226.db2.gz JPVMETMUNBNBFZ-RILCVVRLSA-N 0 3 478.681 3.347 50 0 JGAAHN COCCN1C(=O)N(CCCc2cccnc2)C(=O)C12CCN(Cc1cn(C)c3ccccc13)CC2 ZINC000014743876 523800884 /nfs/dbraw/zinc/80/08/84/523800884.db2.gz QMNAHDMLQHTGRI-UHFFFAOYSA-N 0 3 489.620 3.451 50 0 JGAAHN COCCN1C(=O)N(Cc2cccc(OC)c2)C(=O)C12CCN(Cc1ccc3c(c1)CCO3)CC2 ZINC000014749855 523801872 /nfs/dbraw/zinc/80/18/72/523801872.db2.gz FRXQNSAYOGARKN-UHFFFAOYSA-N 0 3 479.577 3.076 50 0 JGAAHN COCCN1C(=O)N(Cc2cccc(OC)c2)C(=O)C12CCN(Cc1ccc(OC)cc1)CC2 ZINC000014743913 523802121 /nfs/dbraw/zinc/80/21/21/523802121.db2.gz CSWQPBQSQXWYPC-UHFFFAOYSA-N 0 3 467.566 3.149 50 0 JGAAHN COCCN1C(=O)N[C@](Cc2cccc(OC)c2)(C2CCN(Cc3ccccc3)CC2)C1=O ZINC000014879409 523805149 /nfs/dbraw/zinc/80/51/49/523805149.db2.gz NOOJLPAVNBRTCY-AREMUKBSSA-N 0 3 451.567 3.087 50 0 JGAAHN CO[C@H]1[C@H](NC(=O)CSC)c2ccccc2C12CCN(Cc1c(C)nn(C)c1Cl)CC2 ZINC000014990414 524022568 /nfs/dbraw/zinc/02/25/68/524022568.db2.gz NPMPTWVZGPKPCP-RTWAWAEBSA-N 0 3 463.047 3.465 50 0 JGAAHN COc1ccc(CNC(=O)c2c(OC)cc(=O)n3c2CCN(C[C@H]2CC=CCC2)CC3)cc1 ZINC000012283226 524065154 /nfs/dbraw/zinc/06/51/54/524065154.db2.gz AYDKDZQLAFKOMB-FQEVSTJZSA-N 0 3 451.567 3.010 50 0 JGAAHN Cc1cccc(CN(Cc2nc(C(=O)NCCN(C)C)co2)Cc2ccc3c(c2)OCO3)c1 ZINC000036068326 524384010 /nfs/dbraw/zinc/38/40/10/524384010.db2.gz LMONLCIKHVQCFL-UHFFFAOYSA-N 0 3 450.539 3.206 50 0 JGAAHN Cc1ccccc1S(=O)(=O)[N-]c1ccc(N2CC[NH2+]CC2)c(C(=O)N(C)Cc2ccccc2)c1 ZINC000033121194 525336277 /nfs/dbraw/zinc/33/62/77/525336277.db2.gz CPRLQYUWPNVPKZ-UHFFFAOYSA-N 0 3 478.618 3.478 50 0 JGAAHN Cc1[nH]nc2c1C(c1cnn(C)c1)c1c3nc(-c4nn(C)c(C(F)(F)F)c4Cl)nn3cnc1O2 ZINC000022749088 525472481 /nfs/dbraw/zinc/47/24/81/525472481.db2.gz ITTGPWYLSBLMEE-JTQLQIEISA-N 0 3 490.837 3.248 50 0 JGAAHN Cc1c2c(nn1-c1ccccc1)c(C)nn([C@@H](C)C(=O)NCCCN(C)Cc1ccccc1)c2=O ZINC000064971250 525937679 /nfs/dbraw/zinc/93/76/79/525937679.db2.gz QAERPBOQOPOPRG-NRFANRHFSA-N 0 3 472.593 3.398 50 0 JGAAHN Cc1c2cnn(CC(=O)N3CCN(C4CCCCC4)CC3)c(=O)c2c(C)n1Cc1ccccc1F ZINC000020417412 525993406 /nfs/dbraw/zinc/99/34/06/525993406.db2.gz DZQAWZHDIBQYRV-UHFFFAOYSA-N 0 3 479.600 3.479 50 0 JGAAHN Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1CNC[C@@H](c1cccs1)N1CCC(C)CC1 ZINC000022810647 526307714 /nfs/dbraw/zinc/30/77/14/526307714.db2.gz LMEHFQWKCDMTKC-FPOVZHCZSA-N 0 3 450.674 3.484 50 0 JGAAHN O=C(CCn1c(=O)c2sccc2nc1N1CCCCC1)N1CCN(C2CCCCC2)CC1 ZINC000033308786 526668186 /nfs/dbraw/zinc/66/81/86/526668186.db2.gz AULVZRZZKNJAFW-UHFFFAOYSA-N 0 3 457.644 3.315 50 0 JGAAHN Cc1nonc1OCCNC(=O)c1ccc(OC2CCN(CCc3ccccc3)CC2)cc1 ZINC000014974776 526704963 /nfs/dbraw/zinc/70/49/63/526704963.db2.gz ULCAUXNLZOEHIR-UHFFFAOYSA-N 0 3 450.539 3.273 50 0 JGAAHN O=C(COc1ccc(Cl)cc1)N1CCN([C@@H](C(=O)NCCN2CCCCC2)C2CCCC2)CC1 ZINC000036255026 526952008 /nfs/dbraw/zinc/95/20/08/526952008.db2.gz PMXAZEOKBTULQY-RUZDIDTESA-N 0 3 491.076 3.024 50 0 JGAAHN Cn1nc(C(=O)NCc2ccncc2)c2c1CC[C@@H](NCc1cccc(OC(F)(F)F)c1)C2 ZINC000014742548 527546887 /nfs/dbraw/zinc/54/68/87/527546887.db2.gz UFLLUUDOCURBPT-QGZVFWFLSA-N 0 3 459.472 3.291 50 0 JGAAHN Cn1nccc1C(=O)N1CCc2c(cc(-c3cccc(F)c3)c(=O)n2CCN2CCCCC2)C1 ZINC000014740937 527594167 /nfs/dbraw/zinc/59/41/67/527594167.db2.gz PENQJLDZPLDJIR-UHFFFAOYSA-N 0 3 463.557 3.072 50 0 JGAAHN CCc1ccccc1NC(=O)C(CCSC)NC(=O)N1CC2CC(C1)c1cccc(=O)n1C2 ZINC000002095325 554039977 /nfs/dbraw/zinc/03/99/77/554039977.db2.gz XKTBFECTGPHMMU-LMNJBCLMSA-N 0 3 468.623 3.300 50 0 biogenic JGAAHN COc1cc(CNCCNC(=O)c2nonc2N)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000008437940 554588798 /nfs/dbraw/zinc/58/87/98/554588798.db2.gz QYTVKBLSINXMEK-UHFFFAOYSA-N 0 3 466.325 3.066 50 0 JGAAHN O=C(COc1ccc(Br)cc1CNCCCN1CCOCC1)Nc1ccccc1 ZINC000008437944 554588810 /nfs/dbraw/zinc/58/88/10/554588810.db2.gz NRYDPLQKSWAGCA-UHFFFAOYSA-N 0 3 462.388 3.279 50 0 JGAAHN CCOc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(CN4CCCCC4)cc3)CC2)cc1 ZINC000008762329 554662150 /nfs/dbraw/zinc/66/21/50/554662150.db2.gz PAPSLERUGDNRIN-UHFFFAOYSA-N 0 3 471.623 3.218 50 0 JGAAHN COc1ccc(CCN[C@@H]2CC(=O)N(c3ccc(OC(F)(F)Cl)cc3)C2=O)cc1OC ZINC000008854765 554750310 /nfs/dbraw/zinc/75/03/10/554750310.db2.gz FYOHAQQCFZOPDA-MRXNPFEDSA-N 0 3 454.857 3.336 50 0 JGAAHN COc1ccc(-c2cn3nc(N4CCC(C(=O)NCCN5CCCCC5)CC4)sc3n2)cc1 ZINC000008911641 554800828 /nfs/dbraw/zinc/80/08/28/554800828.db2.gz BPFHJEZBQAOIMA-UHFFFAOYSA-N 0 3 468.627 3.285 50 0 JGAAHN C[C@@H]1CCCCN1CCNC(=O)Cn1ncc2c3ccccc3n(Cc3ccccc3)c2c1=O ZINC000008933095 554826601 /nfs/dbraw/zinc/82/66/01/554826601.db2.gz BSSWGEINGCRARQ-HXUWFJFHSA-N 0 3 457.578 3.390 50 0 JGAAHN CCOc1cc(CNCCNC(=O)c2nonc2N)ccc1OCc1ccc(Cl)cc1Cl ZINC000009194381 554968000 /nfs/dbraw/zinc/96/80/00/554968000.db2.gz YAURDPWHRZVRLE-UHFFFAOYSA-N 0 3 480.352 3.456 50 0 JGAAHN CN(CCNC(=O)[C@H]1CCCN(c2ncnc3c2nc2n3CCCCC2)C1)Cc1ccccc1 ZINC000009211055 554980764 /nfs/dbraw/zinc/98/07/64/554980764.db2.gz JAARUHFBIKLOMY-NRFANRHFSA-N 0 3 461.614 3.017 50 0 JGAAHN COc1ccc([C@H](CNC(=O)c2ccc(S(=O)(=O)N3C[C@H](C)C[C@@H](C)C3)cc2)N(C)C)cc1 ZINC000009613073 555447837 /nfs/dbraw/zinc/44/78/37/555447837.db2.gz SLEZRUPRYHGPTI-IECBHUPTSA-N 0 3 473.639 3.395 50 0 JGAAHN CCN(CC)CCn1c2c(c(SCC(=O)Nc3cc(Cl)ccc3OC)nc1=O)CCC2 ZINC000009745483 555477000 /nfs/dbraw/zinc/47/70/00/555477000.db2.gz DUTKBKCFDFRKBC-UHFFFAOYSA-N 0 3 465.019 3.467 50 0 JGAAHN CCOC(=O)c1ccccc1NC(=O)CSc1nc(=O)n(CCN(CC)CC)c2c1CCCC2 ZINC000009747067 555478954 /nfs/dbraw/zinc/47/89/54/555478954.db2.gz KKVAQUDWWJLQJC-UHFFFAOYSA-N 0 3 486.638 3.371 50 0 JGAAHN CCN(CC)CCn1c(=O)nc(SCC(=O)Nc2ccc(F)cc2F)c2c1CCCC2 ZINC000009747124 555478962 /nfs/dbraw/zinc/47/89/62/555478962.db2.gz OVFQLUYLZRBNOB-UHFFFAOYSA-N 0 3 450.555 3.473 50 0 JGAAHN CN(C)CCn1c(=O)nc(SCC(=O)Nc2cccc(C(F)(F)F)c2)c2c1CCCC2 ZINC000009747261 555479224 /nfs/dbraw/zinc/47/92/24/555479224.db2.gz RRFHDTPIQLXBJY-UHFFFAOYSA-N 0 3 454.518 3.433 50 0 JGAAHN COc1ccc(CN2CCc3nnc(CNC(=O)CCc4cccnc4)n3CC2)c2ccccc12 ZINC000019835462 555506873 /nfs/dbraw/zinc/50/68/73/555506873.db2.gz KZAZRSPNWZQFFF-UHFFFAOYSA-N 0 3 470.577 3.142 50 0 JGAAHN COC(=O)CC[C@H]1CN(Cc2ccncc2)CC[C@H]1N1CCN(c2ccccc2OC)CC1 ZINC000020118151 555654890 /nfs/dbraw/zinc/65/48/90/555654890.db2.gz RUZWKDGGZYHSPD-XZOQPEGZSA-N 0 3 452.599 3.056 50 0 JGAAHN C[C@H](CNC(=O)c1cc(=O)[n-]c(=O)[nH]1)Oc1ccc(C[NH+]2CCC(c3ccccc3)CC2)cc1 ZINC000020149148 555664798 /nfs/dbraw/zinc/66/47/98/555664798.db2.gz HSULIMCSRQNHLC-GOSISDBHSA-N 0 3 462.550 3.052 50 0 JGAAHN Cc1ccc(/C=C2/Sc3ccccc3N(CC(=O)NCCCN3CCN(C)CC3)C2=O)cc1 ZINC000020181274 555687966 /nfs/dbraw/zinc/68/79/66/555687966.db2.gz MJBYJSKURRLQNK-HKOYGPOVSA-N 0 3 464.635 3.229 50 0 JGAAHN COc1ccc([C@H](CNC(=O)[C@H]2CCCN(S(=O)(=O)c3cccs3)C2)N2CCCC2)cc1 ZINC000014095400 555687988 /nfs/dbraw/zinc/68/79/88/555687988.db2.gz IWIUHESYUVYLBN-FPOVZHCZSA-N 0 3 477.652 3.111 50 0 JGAAHN CCOC(=O)C1=C(CN2CCN([C@@H](C)CC)CC2)NC(=O)N[C@@H]1c1ccc(OC(C)C)cc1 ZINC000020214574 555710013 /nfs/dbraw/zinc/71/00/13/555710013.db2.gz WYBPONJTGFEZAI-FDDCHVKYSA-N 0 3 458.603 3.061 50 0 JGAAHN CCOC(=O)C1C(CN2CCN([C@@H](C)CC)CC2)=NC(=O)N[C@@H]1c1ccc(OC(C)C)cc1 ZINC000020214574 555710017 /nfs/dbraw/zinc/71/00/17/555710017.db2.gz WYBPONJTGFEZAI-FDDCHVKYSA-N 0 3 458.603 3.061 50 0 JGAAHN COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CN[C@H](C)c1cccc2ccccc21 ZINC000014183606 555725099 /nfs/dbraw/zinc/72/50/99/555725099.db2.gz XVYSLOXYXCNAMU-GOSISDBHSA-N 0 3 483.590 3.159 50 0 JGAAHN O=C([C@H](NS(=O)(=O)c1cccc2nsnc21)c1ccccc1)N1CCN(C2CCCCC2)CC1 ZINC000020235481 555728117 /nfs/dbraw/zinc/72/81/17/555728117.db2.gz MGXWMKZAFYGGKK-JOCHJYFZSA-N 0 3 499.662 3.188 50 0 JGAAHN O=C([C@H]1CCCN(c2ncnc3c2nc2n3CCCCC2)C1)N1CCN(C2CCCCC2)CC1 ZINC000020557029 555808806 /nfs/dbraw/zinc/80/88/06/555808806.db2.gz KHDNXOASMRNIBR-FQEVSTJZSA-N 0 3 465.646 3.246 50 0 JGAAHN Cc1c2c(nn1-c1ccccc1)c(=O)n([C@@H](C)C(=O)NCCCN1CCc3ccccc3C1)nc2C ZINC000020563278 555815069 /nfs/dbraw/zinc/81/50/69/555815069.db2.gz LPVVWSSSVHXTGZ-NRFANRHFSA-N 0 3 484.604 3.325 50 0 JGAAHN CCn1nc(C(=O)N2CCOCC2)c2c1CC[C@H](NCc1nc(-c3ccccc3)cs1)C2 ZINC000014535461 555824264 /nfs/dbraw/zinc/82/42/64/555824264.db2.gz VMSMPKDZFDLEEF-SFHVURJKSA-N 0 3 451.596 3.146 50 0 JGAAHN Cn1nc(C(=O)N2CCSCC2)c2c1CC[C@H](NCc1ccccc1OC(F)(F)F)C2 ZINC000014538440 555827975 /nfs/dbraw/zinc/82/79/75/555827975.db2.gz KDGRXZLAWXRBRP-HNNXBMFYSA-N 0 3 454.518 3.155 50 0 JGAAHN COc1ccc2c(c1)CCc1cnc(-n3ncc(C(=O)N4CC[C@@H](N(C)C)C4)c3C3CC3)nc1-2 ZINC000011812784 555828534 /nfs/dbraw/zinc/82/85/34/555828534.db2.gz MHLXBYYTKAUWFI-LJQANCHMSA-N 0 3 458.566 3.090 50 0 JGAAHN C[C@@H]1CN(C2CCN([C@@H]3CCc4c(c(C(=O)N(C)Cc5ccccc5)nn4C)C3)CC2)C[C@H](C)O1 ZINC000014539473 555829388 /nfs/dbraw/zinc/82/93/88/555829388.db2.gz RTRMJLNYJYLODU-ZFGGDYGUSA-N 0 3 479.669 3.123 50 0 JGAAHN CC[C@]1(C2CCN(Cc3ccccc3OC)CC2)NC(=O)N(C[C@@H]2COc3ccccc3O2)C1=O ZINC000011840305 555833230 /nfs/dbraw/zinc/83/32/30/555833230.db2.gz SRKMWLCMLBJIBC-JIPXPUAJSA-N 0 3 479.577 3.448 50 0 JGAAHN CCOC(=O)N1CCC(NC(=O)[C@H]2CC23CCN(Cc2ccc(O)c(OCC)c2)CC3)CC1 ZINC000011963904 555870654 /nfs/dbraw/zinc/87/06/54/555870654.db2.gz LZKWZIQXFKSBOF-HXUWFJFHSA-N 0 3 459.587 3.130 50 0 JGAAHN CN(C)CCN1C(=O)C[C@@](CC(=O)N2CCCC[C@H]2c2nccs2)(c2ccccc2Cl)C1=O ZINC000011998481 555880994 /nfs/dbraw/zinc/88/09/94/555880994.db2.gz SPFVIOVYSFEINW-CYFREDJKSA-N 0 3 489.041 3.499 50 0 JGAAHN O=C(NC[C@@H](c1cccs1)N1CCCCCC1)c1cccc(N2C(=O)CCS2(=O)=O)c1 ZINC000011998743 555881802 /nfs/dbraw/zinc/88/18/02/555881802.db2.gz RGJIBBOHSHPWQD-IBGZPJMESA-N 0 3 461.609 3.162 50 0 JGAAHN CCC[C@]1(C2CCN(C(=O)CCc3ccc(OC)cc3)CC2)NC(=O)N(CC[C@@H]2CCCN2C)C1=O ZINC000012003056 555882837 /nfs/dbraw/zinc/88/28/37/555882837.db2.gz GJEYPRQOFKMPAI-NEKDWFFYSA-N 0 3 498.668 3.441 50 0 JGAAHN Cc1ccccc1[C@]1(CC(=O)N2CC[C@H](c3ccc(F)cc3)C2)CC(=O)N(CCN(C)C)C1=O ZINC000012034438 555887881 /nfs/dbraw/zinc/88/78/81/555887881.db2.gz UMBMGYXSRFXLJP-IDISGSTGSA-N 0 3 465.569 3.099 50 0 JGAAHN Cc1cccc(CC(=O)N2CCC([C@@]3(CCc4ccccc4)NC(=O)N(CCN(C)C)C3=O)CC2)c1 ZINC000012034344 555887892 /nfs/dbraw/zinc/88/78/92/555887892.db2.gz KFFUOCXVAXLUIE-GDLZYMKVSA-N 0 3 490.648 3.261 50 0 JGAAHN COc1cc2nc(N(C)C)c(CN(CCN(C)C)C(=O)c3ccco3)cc2c(OC)c1OC ZINC000012154921 555927677 /nfs/dbraw/zinc/92/76/77/555927677.db2.gz AIPCOORHNHVCLP-UHFFFAOYSA-N 0 3 456.543 3.124 50 0 JGAAHN CC[C@H]1CN(CCC(=O)N2CCN(Cc3csc(C)n3)CC2)Cc2cc(OC)ccc2O1 ZINC000012160447 555930682 /nfs/dbraw/zinc/93/06/82/555930682.db2.gz UAHLSURFRLCIIZ-NRFANRHFSA-N 0 3 458.628 3.168 50 0 JGAAHN CCN(CC)CCOC(=O)c1ccc(NC(=O)c2ccc3c(c2)nc2n(c3=O)CCCC2)cc1 ZINC000015677537 555941465 /nfs/dbraw/zinc/94/14/65/555941465.db2.gz YFMGAILDLSTLQQ-UHFFFAOYSA-N 0 3 462.550 3.484 50 0 JGAAHN Cc1ccc2nc(NC(=O)CSc3nc(=O)n(CCN(C)C)c4c3CCCC4)sc2c1 ZINC000012360930 555957453 /nfs/dbraw/zinc/95/74/53/555957453.db2.gz WOLBFUYTZZTXJC-UHFFFAOYSA-N 0 3 457.625 3.333 50 0 JGAAHN C=C1C(N2CCC(C(=O)NC[C@@H]3CCCN3CC)CC2)=NS(=O)(=O)C1c1ccc(C)c(C)c1 ZINC000015732943 555977648 /nfs/dbraw/zinc/97/76/48/555977648.db2.gz WDPDBTMWPIRVFE-QFIPXVFZSA-N 0 3 472.655 3.089 50 0 JGAAHN Cc1nc2ccc(S(=O)(=O)N(CC(=O)NCCN3CCCC3)Cc3ccccc3)cc2s1 ZINC000015733718 555978980 /nfs/dbraw/zinc/97/89/80/555978980.db2.gz KDAFFPGYDIVVHC-UHFFFAOYSA-N 0 3 472.636 3.008 50 0 JGAAHN CC(C)Cn1c(CCC(N)=O)nn(CN2CCN(Cc3cccc4ccccc43)CC2)c1=S ZINC000022933955 555986760 /nfs/dbraw/zinc/98/67/60/555986760.db2.gz SYRAXSHTMQUHOI-UHFFFAOYSA-N 0 3 466.655 3.416 50 0 JGAAHN Cc1oc(-c2ccc(C(=O)NCCCN3CCN(C)CC3)cc2)nc1C[S@](=O)c1ccccc1 ZINC000022936602 555989474 /nfs/dbraw/zinc/98/94/74/555989474.db2.gz XZDAIWLIOOXMOI-UUWRZZSWSA-N 0 3 480.634 3.325 50 0 JGAAHN COc1cc(C)c(CN2CCc3nnc([C@@H](NC(=O)c4ccccn4)C(C)C)n3CC2)cc1C ZINC000023129079 556018387 /nfs/dbraw/zinc/01/83/87/556018387.db2.gz UCPRDHYZKQTCFI-DEOSSOPVSA-N 0 3 462.598 3.484 50 0 JGAAHN COc1cc(C)c(CN2CCc3nnc([C@H](C)NC(=O)COc4ccccc4)n3CC2)cc1C ZINC000023129349 556018913 /nfs/dbraw/zinc/01/89/13/556018913.db2.gz BUZUWENNGPPWED-FQEVSTJZSA-N 0 3 463.582 3.218 50 0 JGAAHN CC(C)C[NH+]1CCC(NC(=O)c2cccc(NC(=O)Cc3sc(N4CCCCC4)nc3[O-])c2)CC1 ZINC000012915176 556134388 /nfs/dbraw/zinc/13/43/88/556134388.db2.gz RFNIOIWJXIWYBI-JOCHJYFZSA-N 0 3 499.681 3.349 50 0 JGAAHN COc1cc2c(cc1OC)[C@@H](c1ccccc1)N(CCC(=O)N1CCN(c3ncccn3)CC1)CC2 ZINC000012918837 556137933 /nfs/dbraw/zinc/13/79/33/556137933.db2.gz KDNPVDZICLLNOW-HHHXNRCGSA-N 0 3 487.604 3.180 50 0 JGAAHN O=C(CCN1CC=C(c2ccc(O)cc2)CC1)Nc1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000012930787 556147629 /nfs/dbraw/zinc/14/76/29/556147629.db2.gz DGRJJONSRVDJJH-UHFFFAOYSA-N 0 3 455.580 3.295 50 0 JGAAHN COc1ccc([C@H](CNC(=O)CCc2ccc(S(=O)(=O)N3CCCC3)cc2)N2CCCC2)cc1 ZINC000013002290 556195383 /nfs/dbraw/zinc/19/53/83/556195383.db2.gz SKOIJPCGGYAAFM-VWLOTQADSA-N 0 3 485.650 3.366 50 0 JGAAHN O=C(NC[C@H](c1cccs1)N1CCCC1)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 ZINC000013016628 556208718 /nfs/dbraw/zinc/20/87/18/556208718.db2.gz OTCCCIOLARWBMK-FXAWDEMLSA-N 0 3 465.616 3.241 50 0 JGAAHN COc1cc(CNCCn2ccnc2)ccc1OCC(=O)Nc1ccc(Br)cc1 ZINC000025359729 556210440 /nfs/dbraw/zinc/21/04/40/556210440.db2.gz PRGBBTJRXONRMV-UHFFFAOYSA-N 0 3 459.344 3.462 50 0 JGAAHN CCN1CCC(NC(=O)CSc2nnc(-c3c[nH]c4ccccc43)n2C[C@H]2CCCO2)CC1 ZINC000027240949 556275651 /nfs/dbraw/zinc/27/56/51/556275651.db2.gz RZZHRHPRWUAQRF-GOSISDBHSA-N 0 3 468.627 3.298 50 0 JGAAHN COc1ccc(CCNC(=O)CC2SC(CC(=O)Nc3ccc(C)cc3)=NC2=O)cc1OC ZINC000013096475 556290873 /nfs/dbraw/zinc/29/08/73/556290873.db2.gz NZNLIPYDDPEKNY-HXUWFJFHSA-N 0 3 469.563 3.130 50 0 JGAAHN COc1cc(C[C@H](C)NCc2cc(NC(=O)c3ccccn3)cc(C(=O)N(C)C)c2)ccc1O ZINC000019810667 556381487 /nfs/dbraw/zinc/38/14/87/556381487.db2.gz BYCBJOPCSHXOSZ-KRWDZBQOSA-N 0 3 462.550 3.471 50 0 JGAAHN O=C(CC1C(=O)N(Cc2ccccn2)c2nc3ccccc3n21)Nc1ccc2c(c1)OCCO2 ZINC000019817692 556383890 /nfs/dbraw/zinc/38/38/90/556383890.db2.gz YQECNSGSSFWZGB-FQEVSTJZSA-N 0 3 455.474 3.319 50 0 JGAAHN O=C(CC1C(=O)N(CCN2CCOCC2)c2nc3ccccc3n21)Nc1cccc(C(F)(F)F)c1 ZINC000019817472 556383939 /nfs/dbraw/zinc/38/39/39/556383939.db2.gz VFSATIXZFGSRGR-HXUWFJFHSA-N 0 3 487.482 3.304 50 0 JGAAHN CN1CCC(N2CCN(C(=O)COc3ccc(-c4nc(-c5ccccc5)no4)cc3)CC2)CC1 ZINC000032579075 556446263 /nfs/dbraw/zinc/44/62/63/556446263.db2.gz GUMRCWKVDHWHRA-UHFFFAOYSA-N 0 3 461.566 3.021 50 0 JGAAHN COc1ccc(-n2ncc(C(=O)NC[C@@H](c3ccccc3)N3CCCC3)c2C(F)(F)F)nn1 ZINC000032909365 556532889 /nfs/dbraw/zinc/53/28/89/556532889.db2.gz BRENCFNVJONODB-KRWDZBQOSA-N 0 3 460.460 3.257 50 0 JGAAHN CC[C@@H]1CCCCN1C(=O)C(C)S(=O)(=O)Cc1cc2c(cc1Br)OCCO2 ZINC000032929795 556545906 /nfs/dbraw/zinc/54/59/06/556545906.db2.gz AYLLYPMUQPBEDX-UKRRQHHQSA-N 0 3 460.390 3.315 50 0 JGAAHN CC[C@@H]1CCCCN1C(=O)C(C)S(=O)(=O)Cc1cc2c(cc1Br)OCCO2 ZINC000032929797 556546068 /nfs/dbraw/zinc/54/60/68/556546068.db2.gz AYLLYPMUQPBEDX-DZGCQCFKSA-N 0 3 460.390 3.315 50 0 JGAAHN COc1cc(OC)cc(C(=O)NCC(=O)Nc2ccc(N3CCN(Cc4ccccc4)CC3)cc2)c1 ZINC000057270694 569595182 /nfs/dbraw/zinc/59/51/82/569595182.db2.gz GJGJVTYNRVMTDQ-UHFFFAOYSA-N 0 3 488.588 3.395 50 0 JGAAHN CCCCN(C(=O)CN[C@@H](Cc1ccccc1)c1ccccc1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000057289925 569595736 /nfs/dbraw/zinc/59/57/36/569595736.db2.gz STQOWIRKFMDYNQ-QHCPKHFHSA-N 0 3 491.636 3.482 50 0 JGAAHN CCN1CCN(c2ccc(NC(=O)CN3CCC[C@@H]3c3ccc4c(c3)OCCO4)cc2)CC1 ZINC000008721397 569598515 /nfs/dbraw/zinc/59/85/15/569598515.db2.gz ZZRRRWGGBIYPJJ-HSZRJFAPSA-N 0 3 450.583 3.375 50 0 JGAAHN CCOC(=O)C1C(CN2CCN(Cc3ccccc3)CC2)=NC(=O)N[C@@H]1c1ccc(OCC)cc1 ZINC000057415515 569600917 /nfs/dbraw/zinc/60/09/17/569600917.db2.gz PDNVMNVOCPKNCU-RUZDIDTESA-N 0 3 478.593 3.074 50 0 JGAAHN CCc1ccccc1N1C[C@@H](C(=O)N2CCC[C@H](CN3CCN(c4ccccn4)CC3)C2)CC1=O ZINC000058147278 569602121 /nfs/dbraw/zinc/60/21/21/569602121.db2.gz CZDSPLUJKJTKSN-VWNXMTODSA-N 0 3 475.637 3.058 50 0 JGAAHN CCc1ccccc1N1C[C@H](C(=O)N2CCC[C@H](CN3CCN(c4ccccn4)CC3)C2)CC1=O ZINC000058147270 569602151 /nfs/dbraw/zinc/60/21/51/569602151.db2.gz CZDSPLUJKJTKSN-ISKFKSNPSA-N 0 3 475.637 3.058 50 0 JGAAHN CCN1CCN(CCNC(=O)c2ccc3c(c2)NC(=O)/C(=C/c2ccccc2Cl)O3)CC1 ZINC000032983896 569607126 /nfs/dbraw/zinc/60/71/26/569607126.db2.gz ZWYOYDTUFWLXIZ-JWGURIENSA-N 0 3 454.958 3.079 50 0 JGAAHN CCN1CCN(CCNC(=O)c2ccc3c(c2)NC(=O)/C(=C/c2cccc(Cl)c2)O3)CC1 ZINC000032984007 569607305 /nfs/dbraw/zinc/60/73/05/569607305.db2.gz OKQFLQYPFIKPFM-JCMHNJIXSA-N 0 3 454.958 3.079 50 0 JGAAHN NC(=O)[C@@H]1CCCN(Cc2ccc(NC(=O)C3CCN(C(=O)CCc4ccccc4)CC3)cc2)C1 ZINC000060341400 569608818 /nfs/dbraw/zinc/60/88/18/569608818.db2.gz GEEGBXLOTSGOES-XMMPIXPASA-N 0 3 476.621 3.194 50 0 JGAAHN O=C(NCC1CCN(Cc2ccccc2F)CC1)c1nc(-c2ccc(N3CCOCC3)cc2)no1 ZINC000064606105 569622872 /nfs/dbraw/zinc/62/28/72/569622872.db2.gz UPPZHRAGRSVLSK-UHFFFAOYSA-N 0 3 479.556 3.354 50 0 JGAAHN Cc1nc(-c2csc(S(=O)(=O)NCCCN3CCCC3)c2)sc1C(=O)N1CCCC1 ZINC000065117043 569666952 /nfs/dbraw/zinc/66/69/52/569666952.db2.gz XXCQLDGTYUMVGY-UHFFFAOYSA-N 0 3 468.670 3.180 50 0 JGAAHN COc1ccc(-c2nc3cnccn3c2Nc2ccc(C(=O)NCCN(C)C)cc2)cc1OC ZINC000065322693 569674805 /nfs/dbraw/zinc/67/48/05/569674805.db2.gz SEVFHNKYXZFLLR-UHFFFAOYSA-N 0 3 460.538 3.449 50 0 JGAAHN Cc1cc(C)c2c(n1)SCCN2C(=O)NCCC(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000035373862 569683813 /nfs/dbraw/zinc/68/38/13/569683813.db2.gz TVFDNCNETZLZEN-UHFFFAOYSA-N 0 3 467.639 3.491 50 0 JGAAHN CCOC(=O)C1C(CN2CCN(C3CCCCC3)CC2)=NC(=O)N[C@H]1c1ccc(CC)cc1 ZINC000067286579 569684114 /nfs/dbraw/zinc/68/41/14/569684114.db2.gz AFXRHCUHKNHAOJ-DEOSSOPVSA-N 0 3 454.615 3.370 50 0 JGAAHN Cc1onc(-c2ccccc2Cl)c1C(=O)N1CCN(c2cc(N3CCOCC3)nc(C)n2)CC1 ZINC000067604090 569688762 /nfs/dbraw/zinc/68/87/62/569688762.db2.gz XXVADCZNSUMRJY-UHFFFAOYSA-N 0 3 482.972 3.201 50 0 JGAAHN O=C(CN1CC=C(c2cnn(-c3ccccc3)c2)CC1)NCCCN1CCN(Cc2ccccc2)CC1 ZINC000035404217 569691609 /nfs/dbraw/zinc/69/16/09/569691609.db2.gz DCEILZKULOKCKK-UHFFFAOYSA-N 0 3 498.675 3.286 50 0 JGAAHN COc1ccc(Cl)cc1C(=O)N1CCC[C@H]1C(=O)Nc1ccc(CN2CCC[C@H](C(N)=O)C2)cc1 ZINC000068832090 569692369 /nfs/dbraw/zinc/69/23/69/569692369.db2.gz BYGOUZZXMQCPLO-AVRDEDQJSA-N 0 3 499.011 3.289 50 0 JGAAHN Cn1c(CN2CCCCCC2)cc(=O)c(O)c1CN1CCN(Cc2cccc(Cl)c2)CC1 ZINC000079464359 569707444 /nfs/dbraw/zinc/70/74/44/569707444.db2.gz SLPACHMGXLIXHU-UHFFFAOYSA-N 0 3 459.034 3.438 50 0 JGAAHN CN(C)CCNC(=O)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CCN(c3ccccc3F)C[C@H]12 ZINC000035907793 569723470 /nfs/dbraw/zinc/72/34/70/569723470.db2.gz LEQFMBKWTZFHQV-PGRDOPGGSA-N 0 3 464.507 3.390 50 0 JGAAHN Cn1c(CN2CCCCCC2)cc(=O)c(O)c1CN1CCN(C/C=C/c2ccccc2)CC1 ZINC000095475348 569724228 /nfs/dbraw/zinc/72/42/28/569724228.db2.gz NAJXSDDYNCZHGO-FMIVXFBMSA-N 0 3 450.627 3.298 50 0 JGAAHN O=C(c1ccc(Cl)cc1Cl)N1CCN(c2nc(CN3CCCCC3)cc(=O)[nH]2)CC1 ZINC000035925303 569728736 /nfs/dbraw/zinc/72/87/36/569728736.db2.gz HVGXBOZMJSOUIO-UHFFFAOYSA-N 0 3 450.370 3.025 50 0 JGAAHN CN(C)CCNC(=O)CCN(C[C@H]1CCCO1)C(=O)c1cc(-c2ccc(Cl)cc2Cl)on1 ZINC000036013707 569748730 /nfs/dbraw/zinc/74/87/30/569748730.db2.gz ASYASXQSVGOPNT-MRXNPFEDSA-N 0 3 483.396 3.338 50 0 JGAAHN COc1ccccc1N1C(=O)C2[C@H](C1=O)[C@H](c1ccc(F)cc1)NN2C(=O)c1ccc(C)cc1 ZINC000100807367 569770463 /nfs/dbraw/zinc/77/04/63/569770463.db2.gz YRNNIFRCYLSLLR-XPWALMASSA-N 0 3 459.477 3.403 50 0 JGAAHN Cc1ccc(C)c(OCC(=O)c2ccc3c(c2)N(CCCC(=O)NCCN(C)C)C(=O)CO3)c1C ZINC000037275420 569782018 /nfs/dbraw/zinc/78/20/18/569782018.db2.gz YXKMBIHGUNDISL-UHFFFAOYSA-N 0 3 481.593 3.057 50 0 JGAAHN COc1ccc(S(=O)(=O)Oc2cc(CN(CCN(C)C)C(=O)C(C)C)ccc2OC)cc1 ZINC000037399954 569787980 /nfs/dbraw/zinc/78/79/80/569787980.db2.gz AJFFBIDCGBTMSS-UHFFFAOYSA-N 0 3 464.584 3.018 50 0 JGAAHN CCNC(=O)N(CCOC)Cc1cc(NC(=O)CC(C)C)ccc1N(C)C1CCN(C)CC1 ZINC000037441843 569790953 /nfs/dbraw/zinc/79/09/53/569790953.db2.gz CLVBZWQHDDSKAU-UHFFFAOYSA-N 0 3 461.651 3.380 50 0 JGAAHN Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N[C@@H](CN2CCc3ccccc3C2)C(C)(C)C)cc1 ZINC000040146929 569818352 /nfs/dbraw/zinc/81/83/52/569818352.db2.gz BPVKCZTXGHFKMV-CVDCTZTESA-N 0 3 457.640 3.251 50 0 JGAAHN Cc1ccc(S(=O)(=O)N[C@H](C)C(=O)N[C@H](CN2CCc3ccccc3C2)C(C)(C)C)cc1 ZINC000040146932 569818378 /nfs/dbraw/zinc/81/83/78/569818378.db2.gz BPVKCZTXGHFKMV-AUSIDOKSSA-N 0 3 457.640 3.251 50 0 JGAAHN COC(=O)C1=C(C)N=C2SC=C(CC(=O)NCCN3CCCCC3)N2[C@H]1c1cccc(OC)c1 ZINC000102746826 569820083 /nfs/dbraw/zinc/82/00/83/569820083.db2.gz RIRXZMQAVYPZRD-QHCPKHFHSA-N 0 3 484.622 3.435 50 0 JGAAHN COC(=O)C1=C(C)N=C2SC=C(CC(=O)NCCN3CCCC3)N2[C@H]1c1cccc(F)c1 ZINC000102746785 569820087 /nfs/dbraw/zinc/82/00/87/569820087.db2.gz NLFUWKYNWOUXKR-NRFANRHFSA-N 0 3 458.559 3.176 50 0 JGAAHN COC(=O)C1=C(C)N=C2SC=C(CC(=O)NCCN3CCCC3)N2[C@H]1c1ccccc1F ZINC000102746800 569820125 /nfs/dbraw/zinc/82/01/25/569820125.db2.gz ZFTJTAFNNZIDSH-NRFANRHFSA-N 0 3 458.559 3.176 50 0 JGAAHN C[C@H]([N-]S(=O)(=O)c1ccccc1C(F)(F)F)C(=O)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000040157554 569821660 /nfs/dbraw/zinc/82/16/60/569821660.db2.gz SFAYQRNCTNHBNE-KRWDZBQOSA-N 0 3 475.577 3.487 50 0 JGAAHN C[C@H]([N-]S(=O)(=O)c1ccccc1C(F)(F)F)C(=O)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000040157554 569821661 /nfs/dbraw/zinc/82/16/61/569821661.db2.gz SFAYQRNCTNHBNE-KRWDZBQOSA-N 0 3 475.577 3.487 50 0 JGAAHN CCOC(=O)C1=C(C)N=C2SC=C(CC(=O)NC3CCN(C)CC3)N2[C@@H]1c1cccc(OC)c1 ZINC000102763864 569822743 /nfs/dbraw/zinc/82/27/43/569822743.db2.gz 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JGAAHN COC[C@H](O)CN(CC(=O)N1CCc2sccc2[C@H]1COc1ccc(F)cc1)CC1CC1 ZINC000245280414 570061924 /nfs/dbraw/zinc/06/19/24/570061924.db2.gz PKTKNLFWHFAWPZ-DENIHFKCSA-N 0 3 462.587 3.111 50 0 JGAAHN Nc1nonc1C(=O)NCCNCc1cn(Cc2c(Cl)cccc2Cl)c2ccccc12 ZINC000247661935 570068658 /nfs/dbraw/zinc/06/86/58/570068658.db2.gz UARQVTSVRLZBCZ-UHFFFAOYSA-N 0 3 459.337 3.481 50 0 JGAAHN O[C@@H](c1ccccc1)[C@H](CC[C@H](CN1CCOCC1)[C@H](O)c1ccccc1)CN1CCOCC1 ZINC000252625696 570088419 /nfs/dbraw/zinc/08/84/19/570088419.db2.gz QPIKTYCLELXBAK-HPQIJTKRSA-N 0 3 468.638 3.131 50 0 JGAAHN COc1ccc(Cn2c(CN3CCC[C@@H](C(=O)N4CCN[C@@H](C)C4)C3)nc3ccccc32)cc1 ZINC000253603606 570104375 /nfs/dbraw/zinc/10/43/75/570104375.db2.gz LPAQKOAXBUOSOC-RBBKRZOGSA-N 0 3 461.610 3.126 50 0 JGAAHN COc1ccc(Cn2c(CN3CCC[C@@H](C(=O)N4CCN[C@H](C)C4)C3)nc3ccccc32)cc1 ZINC000253603601 570104418 /nfs/dbraw/zinc/10/44/18/570104418.db2.gz LPAQKOAXBUOSOC-IFMALSPDSA-N 0 3 461.610 3.126 50 0 JGAAHN Cc1cccc(Cn2nc(CNCCc3ccc(S(N)(=O)=O)cc3)c(-c3ccccc3)n2)c1 ZINC000261492628 570170117 /nfs/dbraw/zinc/17/01/17/570170117.db2.gz VQLVFOIQCFQWOC-UHFFFAOYSA-N 0 3 461.591 3.282 50 0 JGAAHN COc1cc(C[C@]2(CCC(=O)NCCN3CC[C@H](c4ccccc4)C3)CCC(=O)N2)ccc1F ZINC000299801459 570177537 /nfs/dbraw/zinc/17/75/37/570177537.db2.gz YTPGZOHJEVAESC-CUNXSJBXSA-N 0 3 467.585 3.412 50 0 JGAAHN O=C(CSC1=Nc2ccccc2C2=NC(CC(=O)NCc3ccco3)C(=O)N21)NC1CCCCC1 ZINC000002967843 194185304 /nfs/dbraw/zinc/18/53/04/194185304.db2.gz TZFGLDQOTSKHLO-FQEVSTJZSA-N 0 3 493.589 3.127 50 0 JGAAHN CC[C@H](C)NC(=O)CSC1=Nc2ccccc2C2=NC(CC(=O)NCc3ccc(F)cc3)C(=O)N21 ZINC000002968310 194186338 /nfs/dbraw/zinc/18/63/38/194186338.db2.gz BFCBHWDZHDMAAB-YWZLYKJASA-N 0 3 495.580 3.139 50 0 JGAAHN Cc1ccc(C(=O)NC2CCN(Cc3ccccc3)CC2)cc1NC1=N[C@@H]2CS(=O)(=O)C[C@H]2S1 ZINC000009860679 195001038 /nfs/dbraw/zinc/00/10/38/195001038.db2.gz SAMLBJKVLZFXED-DHIUTWEWSA-N 0 3 498.674 3.070 50 0 JGAAHN CN(CCCNC(=O)Cn1nc(Cc2ccncc2)c2ccccc2c1=O)Cc1ccccc1 ZINC000009860783 195001368 /nfs/dbraw/zinc/00/13/68/195001368.db2.gz ZACNYIFQDSWUPO-UHFFFAOYSA-N 0 3 455.562 3.021 50 0 JGAAHN CCN1CCN(c2ccc(NC(=O)c3ccc(OC)c(S(=O)(=O)NC4CCCC4)c3)cc2)CC1 ZINC000009875133 195007959 /nfs/dbraw/zinc/00/79/59/195007959.db2.gz QUDGULLEZNSHFL-UHFFFAOYSA-N 0 3 486.638 3.310 50 0 JGAAHN CCOc1ccc(N2C(=O)C[C@@H](NC3CCN(c4ccc(C(F)(F)F)cn4)CC3)C2=O)cc1 ZINC000009933849 195025787 /nfs/dbraw/zinc/02/57/87/195025787.db2.gz MCXWWANHSHEQTH-LJQANCHMSA-N 0 3 462.472 3.390 50 0 JGAAHN O=C(NC[C@@H](c1ccccc1)N1CCCC1)C1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1 ZINC000012798980 195138371 /nfs/dbraw/zinc/13/83/71/195138371.db2.gz AMGZBIOSLPOROX-QFIPXVFZSA-N 0 3 477.577 3.319 50 0 JGAAHN CCN1CCN(c2ccc(NC(=O)C3CCN(S(=O)(=O)c4ccc(F)cc4)CC3)cc2C)CC1 ZINC000012805915 195141563 /nfs/dbraw/zinc/14/15/63/195141563.db2.gz TUWZSWUZJSECPA-UHFFFAOYSA-N 0 3 488.629 3.315 50 0 JGAAHN CCc1nn(CC(=O)NC2CCN(Cc3ccccc3)CC2)c(=O)c2cc3sc(C)cc3n21 ZINC000020862578 195233929 /nfs/dbraw/zinc/23/39/29/195233929.db2.gz JCICVDMLOKAVSJ-UHFFFAOYSA-N 0 3 463.607 3.362 50 0 JGAAHN Cc1cc(C)n(Cc2c(C)onc2C(=O)NCCCN2CCN(c3cccc(C)c3)[C@H](C)C2)n1 ZINC000020994048 195263033 /nfs/dbraw/zinc/26/30/33/195263033.db2.gz ISXSPRDXFKNFEZ-OAQYLSRUSA-N 0 3 464.614 3.484 50 0 JGAAHN C[C@H](C(=O)N(C)Cc1cccc(F)c1)N1CCC[C@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000058171788 195370875 /nfs/dbraw/zinc/37/08/75/195370875.db2.gz QQDLNOHAFMVKNX-FYYLOGMGSA-N 0 3 453.606 3.102 50 0 JGAAHN CCN(CC)C(=O)CCNC(=O)NCc1ccc(NC(=O)CCN(C)Cc2ccccc2)cc1 ZINC000058174777 195371704 /nfs/dbraw/zinc/37/17/04/195371704.db2.gz WHBFUFBIHRYIQA-UHFFFAOYSA-N 0 3 467.614 3.205 50 0 JGAAHN CSCC[C@@H](NS(=O)(=O)/C=C\c1ccccc1)C(=O)NCc1ccccc1CN(C)C ZINC000096401346 130078133 /nfs/dbraw/zinc/07/81/33/130078133.db2.gz IUVIZGHRZCSOMT-NKZVREJYSA-N 0 3 461.653 3.076 50 0 JGAAHN CC(C)C[C@H](N)C(=O)N1CCC(C(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2ccc(F)cc2)CC1 ZINC000008790484 519365105 /nfs/dbraw/zinc/36/51/05/519365105.db2.gz IAICUWRQPJVMKF-ZEQRLZLVSA-N 0 3 482.600 3.104 50 0 biogenic JGAAHN CC(=O)N1c2cc(S(=O)(=O)N3CCC(N4CCCCC4)CC3)c(Br)cc2C[C@H]1C ZINC000044139565 519638881 /nfs/dbraw/zinc/63/88/81/519638881.db2.gz LCFLBXAQUAPBOF-OAHLLOKOSA-N 0 3 484.460 3.386 50 0 JGAAHN CC(C)CN1C(=O)c2ccccc2[C@@H](C(=O)NCCCN2CCN(C)CC2)[C@H]1c1cccs1 ZINC000020508384 519719795 /nfs/dbraw/zinc/71/97/95/519719795.db2.gz FVSSZORXGNLFCA-DNQXCXABSA-N 0 3 468.667 3.439 50 0 JGAAHN CCCN1CCN(CCCNC(=O)[C@@H]2c3ccccc3C(=O)N(CCOC)[C@@H]2c2cccs2)CC1 ZINC000020508178 519858302 /nfs/dbraw/zinc/85/83/02/519858302.db2.gz YIFJWCXWHQZUSY-JWQCQUIFSA-N 0 3 498.693 3.209 50 0 JGAAHN CCOC(=O)C1=C(CNCCc2ccc(OC)c(OC)c2)NC(=O)N[C@@H]1c1cc(C)ccc1C ZINC000012412503 520519590 /nfs/dbraw/zinc/51/95/90/520519590.db2.gz LLRAKZJIKOFULK-XMMPIXPASA-N 0 3 467.566 3.324 50 0 JGAAHN CCN(CC)C(=O)c1ccc2c(c1)N(CC(=O)NC1CCN(Cc3ccccc3)CC1)C(=O)CS2 ZINC000045960893 520555681 /nfs/dbraw/zinc/55/56/81/520555681.db2.gz RPUBLVNEWFBISJ-UHFFFAOYSA-N 0 3 494.661 3.388 50 0 JGAAHN CCN(CCN(C)C)C(=O)C1CCN(S(=O)(=O)c2c(C)noc2/C=C/c2ccccc2F)CC1 ZINC000008610492 521042989 /nfs/dbraw/zinc/04/29/89/521042989.db2.gz WFTAITSSFPJYHE-ZHACJKMWSA-N 0 3 492.617 3.103 50 0 JGAAHN CCOc1ccc2nc(N3CCC[C@@H](C(=O)NCCCN4CCN(CC)CC4)C3)sc2c1 ZINC000020383572 521304075 /nfs/dbraw/zinc/30/40/75/521304075.db2.gz MREKHLOQRUTTBB-LJQANCHMSA-N 0 3 459.660 3.055 50 0 JGAAHN CCC[C@]1(C2CCN(C(=O)Cc3cccs3)CC2)NC(=O)N(CC[C@@H]2CCCN2C)C1=O ZINC000014980552 521314495 /nfs/dbraw/zinc/31/44/95/521314495.db2.gz HUMREEASPZCSKQ-YADARESESA-N 0 3 460.644 3.104 50 0 JGAAHN CCOC(=O)c1[nH]c(C)c(CCC(=O)N2CCC[C@H](C(=O)NCCN(C)Cc3ccccc3)C2)c1C ZINC000046046460 521367049 /nfs/dbraw/zinc/36/70/49/521367049.db2.gz PSEDXSKGYYPJCZ-QHCPKHFHSA-N 0 3 496.652 3.228 50 0 JGAAHN CCN1CCC[C@@H]1CNC(=O)[C@]1(O)c2cc(Br)ccc2NC(=O)N1c1ccccc1 ZINC000008661113 521638355 /nfs/dbraw/zinc/63/83/55/521638355.db2.gz RMKFLSCSBFETSJ-VGOFRKELSA-N 0 3 473.371 3.247 50 0 JGAAHN CCN1CCN(CCCNS(=O)(=O)c2ccccc2-c2nc(-c3ccc(C)cc3)no2)CC1 ZINC000033307104 521682404 /nfs/dbraw/zinc/68/24/04/521682404.db2.gz KVCNRTQRUFMKSZ-UHFFFAOYSA-N 0 3 469.611 3.018 50 0 JGAAHN CCN1CCN(CCNC(=O)c2ccc(-c3nc4ccccc4n(CC(C)C)c3=O)cc2)CC1 ZINC000033298566 521684223 /nfs/dbraw/zinc/68/42/23/521684223.db2.gz PNLYMHZZJHDFFC-UHFFFAOYSA-N 0 3 461.610 3.087 50 0 JGAAHN CN(C)CCNC(=O)c1ccc(CSc2nc(N3CCOCC3)cc(C(C)(C)C)n2)cc1 ZINC000036070761 521785801 /nfs/dbraw/zinc/78/58/01/521785801.db2.gz LQIPZNXDPGACOO-UHFFFAOYSA-N 0 3 457.644 3.194 50 0 JGAAHN CN(C)[C@H](CNC(=O)c1cccc(S(=O)(=O)N2CCN(c3ccccc3)CC2)c1)c1ccccc1 ZINC000016599399 522082131 /nfs/dbraw/zinc/08/21/31/522082131.db2.gz NNJVITHXROPNSF-AREMUKBSSA-N 0 3 492.645 3.230 50 0 JGAAHN COCCCN1C(=O)N(Cc2ccccc2)C(=O)C12CCN(Cc1ccc3c(c1)OCCO3)CC2 ZINC000014753839 523288935 /nfs/dbraw/zinc/28/89/35/523288935.db2.gz AWZVTHYVQKTBIN-UHFFFAOYSA-N 0 3 479.577 3.293 50 0 JGAAHN CN(Cc1ccccc1)C(=O)c1cc([N-]S(=O)(=O)c2ccccc2)ccc1N1CC[NH2+]CC1 ZINC000033121018 523337962 /nfs/dbraw/zinc/33/79/62/523337962.db2.gz DDWNGDOBPSZNBM-UHFFFAOYSA-N 0 3 464.591 3.169 50 0 JGAAHN CC[C@]1(C2CCN(Cc3cccc(O)c3)CC2)NC(=O)N(C[C@@H]2COc3ccccc3O2)C1=O ZINC000014883646 523606774 /nfs/dbraw/zinc/60/67/74/523606774.db2.gz HNHAWFHSLPJSCC-QFQXNSOFSA-N 0 3 465.550 3.145 50 0 JGAAHN CC[C@H](C(=O)NCCCN1CCN(CC)CC1)n1nc(C)c2sc3ccccc3c2c1=O ZINC000020467075 523773278 /nfs/dbraw/zinc/77/32/78/523773278.db2.gz ZWGKONDYCJISSL-LJQANCHMSA-N 0 3 455.628 3.015 50 0 JGAAHN COCCN1C(=O)N(Cc2cccc(OC)c2)C(=O)C12CCN(Cc1ccc3nccnc3c1)CC2 ZINC000014744938 523801433 /nfs/dbraw/zinc/80/14/33/523801433.db2.gz NYPVYKGMTNMMPE-UHFFFAOYSA-N 0 3 489.576 3.084 50 0 JGAAHN CN1CCN(CCCNC(=O)c2cccc([C@H]3CCCN(C(=O)Nc4ccccc4)C3)c2)CC1 ZINC000033035767 523899668 /nfs/dbraw/zinc/89/96/68/523899668.db2.gz LRUGMPZACSDWPX-DEOSSOPVSA-N 0 3 463.626 3.465 50 0 JGAAHN COc1ccc(C[C@H](C)N2CCC3(CC2)C(=O)N(CCCc2ccncc2)C(=O)N3C)cc1OC ZINC000014733749 524152565 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/nfs/dbraw/zinc/58/87/81/554588781.db2.gz XSKOOSKJSRJMGW-UHFFFAOYSA-N 0 3 492.414 3.287 50 0 JGAAHN CCN(CCNC(=O)[C@H]1CCCN(c2ncnc3c2nc2n3CCCCC2)C1)Cc1ccccc1 ZINC000009211157 554981025 /nfs/dbraw/zinc/98/10/25/554981025.db2.gz GUAHHQNSNMRCLZ-QFIPXVFZSA-N 0 3 475.641 3.407 50 0 JGAAHN CCCN1CCN(c2nnc(-n3cccc3CNCc3ccc(OC)cc3OC)s2)CC1 ZINC000009265789 555041714 /nfs/dbraw/zinc/04/17/14/555041714.db2.gz QAFHRPWGHYYJIC-UHFFFAOYSA-N 0 3 456.616 3.168 50 0 JGAAHN COc1ccc(-c2cc3ccc(OCCN4CCC(C(N)=O)CC4)cc3oc2=O)cc1OC ZINC000009435289 555206264 /nfs/dbraw/zinc/20/62/64/555206264.db2.gz OADYSGFNJNVSMM-UHFFFAOYSA-N 0 3 452.507 3.053 50 0 JGAAHN CC(C)[C@@H](NS(=O)(=O)c1cccs1)C(=O)NCC1CCN(Cc2ccccc2F)CC1 ZINC000009528486 555322571 /nfs/dbraw/zinc/32/25/71/555322571.db2.gz UPUFGRSQSBXGEL-OAQYLSRUSA-N 0 3 467.632 3.219 50 0 JGAAHN C[C@@]1(CSc2ccccc2C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)NC(=O)[N-]C1=O ZINC000009614006 555450115 /nfs/dbraw/zinc/45/01/15/555450115.db2.gz QNZRKNWQXXLUDC-VWLOTQADSA-N 0 3 466.607 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COc1ccc(CN2C[C@H](C(=O)Nc3ccc(F)cc3)C[C@H](C(=O)NC[C@@H]3CCCO3)C2)cc1OC ZINC000014538218 555827686 /nfs/dbraw/zinc/82/76/86/555827686.db2.gz XHBKDBVFELNWIF-MZKRTTBSSA-N 0 3 499.583 3.215 50 0 JGAAHN Cc1ccccc1C(=O)N1CCC([C@]2(Cc3ccccc3)NC(=O)N(CCN3CCCC3)C2=O)CC1 ZINC000011812748 555828491 /nfs/dbraw/zinc/82/84/91/555828491.db2.gz MSJRLVDYDSYBHP-LJAQVGFWSA-N 0 3 488.632 3.476 50 0 JGAAHN O=C(Nc1ccc(F)cc1)[C@@H]1C[C@H](C(=O)NCc2ccc3c(c2)OCO3)CN(Cc2ccncc2)C1 ZINC000014539659 555829720 /nfs/dbraw/zinc/82/97/20/555829720.db2.gz WXBVKMIHDYVJNL-LEWJYISDSA-N 0 3 490.535 3.343 50 0 JGAAHN COc1ccc2c(c1)-c1nc(-n3ncc(C(=O)N4CC[C@@H](N(C)C)C4)c3C3CC3)ncc1CC2 ZINC000015069708 555869425 /nfs/dbraw/zinc/86/94/25/555869425.db2.gz YDCZWNDQNOKZST-LJQANCHMSA-N 0 3 458.566 3.090 50 0 JGAAHN CN(C(=O)c1ccn(C)n1)[C@@H](Cc1ccccc1)C1CCN(Cc2cccc(OCCO)c2)CC1 ZINC000011968623 555873008 /nfs/dbraw/zinc/87/30/08/555873008.db2.gz CSYWAEKFHZMONY-MHZLTWQESA-N 0 3 476.621 3.387 50 0 JGAAHN 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COCc1c(C(=O)N(C)C[C@@H]2CCCN(C)C2)cnn1-c1ncc(C)c(-c2cccs2)n1 ZINC000012150336 555922553 /nfs/dbraw/zinc/92/25/53/555922553.db2.gz YPCHHJVRGNECRY-QGZVFWFLSA-N 0 3 454.600 3.259 50 0 JGAAHN C[C@H](C1CCN(C(=O)CCN2Cc3cc(Cl)ccc3O[C@H](C)C2)CC1)N1CCOCC1 ZINC000012162105 555931272 /nfs/dbraw/zinc/93/12/72/555931272.db2.gz JOGGURQWQNYTPZ-RTBURBONSA-N 0 3 450.023 3.272 50 0 JGAAHN Cc1ccc(C)c(C(=O)N2CCC([C@@]3(Cc4cccc(F)c4)NC(=O)N(CCN(C)C)C3=O)CC2)c1 ZINC000012190573 555937800 /nfs/dbraw/zinc/93/78/00/555937800.db2.gz KYDGAXXEPGPCQV-MUUNZHRXSA-N 0 3 494.611 3.390 50 0 JGAAHN CCN1CCC[C@@H]1CNC(=O)[C@@H](NC(=O)c1ccc2nc(-n3cccc3)sc2c1)C(C)C ZINC000012321369 555951784 /nfs/dbraw/zinc/95/17/84/555951784.db2.gz KLJUFHBTLRMBAE-NQIIRXRSSA-N 0 3 453.612 3.442 50 0 JGAAHN O=C(CCNC(=O)N1CCc2c3ccccc3[nH]c2C1)NC1CCN(Cc2ccccc2)CC1 ZINC000012322159 555952180 /nfs/dbraw/zinc/95/21/80/555952180.db2.gz UWGPCWINAJUBRL-UHFFFAOYSA-N 0 3 459.594 3.407 50 0 biogenic JGAAHN O=C(NCCCN1CCc2ccccc2C1)[C@@H]1CCCN(c2nnc(-n3cccc3)s2)C1 ZINC000015728143 555968020 /nfs/dbraw/zinc/96/80/20/555968020.db2.gz JKQMRMIUBFXLEV-OAQYLSRUSA-N 0 3 450.612 3.110 50 0 JGAAHN CN1c2ccc(S(=O)(=O)NCC3CCN(CCc4cccs4)CC3)cc2C(C)(C)C1=O ZINC000015731721 555975152 /nfs/dbraw/zinc/97/51/52/555975152.db2.gz PEOQZTGHFAFIGW-UHFFFAOYSA-N 0 3 461.653 3.235 50 0 JGAAHN CC(C)C[C@@H](NC(=O)c1ccccc1)C(=O)OCC(=O)N1CCN(C23CC4CC(CC(C4)C2)C3)CC1 ZINC000012401332 555975646 /nfs/dbraw/zinc/97/56/46/555975646.db2.gz PBIJRJACBQAXKZ-QQJVBVIDSA-N 0 3 495.664 3.487 50 0 JGAAHN COc1cc(C)cc2oc(=O)c(CC(=O)NCC3(N4CCN(C)CC4)CCCCC3)c(C)c12 ZINC000022933392 555985952 /nfs/dbraw/zinc/98/59/52/555985952.db2.gz FGJHTJDLCXLSEE-UHFFFAOYSA-N 0 3 455.599 3.027 50 0 JGAAHN COc1cc2oc(=O)c(CC(=O)NCC3(N4CCN(C)CC4)CCCCC3)c(C)c2cc1Cl ZINC000022933419 555985961 /nfs/dbraw/zinc/98/59/61/555985961.db2.gz GLQMSRUHHMESQJ-UHFFFAOYSA-N 0 3 476.017 3.372 50 0 JGAAHN CCN1CCN(Cc2ccc(NC(=O)COCc3cc(-c4ccc5c(c4)OCO5)on3)cc2)CC1 ZINC000022936500 555989477 /nfs/dbraw/zinc/98/94/77/555989477.db2.gz OPLIVIHOIBOMMB-UHFFFAOYSA-N 0 3 478.549 3.363 50 0 JGAAHN Cn1ccc2cc(S(=O)(=O)N3CCC[C@H](C(=O)NC4CCN(Cc5ccccc5)CC4)C3)ccc21 ZINC000015784430 556003535 /nfs/dbraw/zinc/00/35/35/556003535.db2.gz LPLIODYBXUBHBF-QHCPKHFHSA-N 0 3 494.661 3.360 50 0 JGAAHN COc1ccc(-c2nc(C[S@@](=O)CC(=O)NCCCN3CCC[C@@H](C)C3)c(C)o2)cc1OC ZINC000015944304 556080585 /nfs/dbraw/zinc/08/05/85/556080585.db2.gz MZJHCVQYJBHWAM-JSRFKQPZSA-N 0 3 477.627 3.154 50 0 JGAAHN C[C@@H]1CN(S(=O)(=O)c2cccc(C(=O)NC[C@H](c3ccccc3)N3CCCC3)c2)C[C@@H](C)O1 ZINC000023738708 556086733 /nfs/dbraw/zinc/08/67/33/556086733.db2.gz IDJPSPWAJSOEOE-YOSAUDMPSA-N 0 3 471.623 3.051 50 0 JGAAHN C[C@@H]1CN(S(=O)(=O)c2cccc(C(=O)NC[C@H](c3ccccc3)N3CCCC3)c2)C[C@H](C)O1 ZINC000023738711 556086830 /nfs/dbraw/zinc/08/68/30/556086830.db2.gz IDJPSPWAJSOEOE-JXALWOEJSA-N 0 3 471.623 3.051 50 0 JGAAHN COc1ccc([C@@H](CNC(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)N2CCCC2)cc1 ZINC000023818794 556089595 /nfs/dbraw/zinc/08/95/95/556089595.db2.gz JCHLPXMCMACVFI-HSZRJFAPSA-N 0 3 466.582 3.088 50 0 JGAAHN CSCC[C@H](NS(=O)(=O)/C=C/c1ccccc1)C(=O)NCc1ccccc1CN(C)C ZINC000024083931 556120551 /nfs/dbraw/zinc/12/05/51/556120551.db2.gz IUVIZGHRZCSOMT-FDGLKFFFSA-N 0 3 461.653 3.076 50 0 JGAAHN CC1CCN([C@H](CNC(=O)[C@@H]2CC(=O)N(c3ccc4c(c3)OCO4)C2)c2cccs2)CC1 ZINC000024550543 556135811 /nfs/dbraw/zinc/13/58/11/556135811.db2.gz SHJOQTFRHIFNCG-IEBWSBKVSA-N 0 3 455.580 3.419 50 0 JGAAHN CCN1CCC(NC(=O)C2CCN(S(=O)(=O)c3ccc(Cl)c(C(F)(F)F)c3)CC2)CC1 ZINC000012918904 556137940 /nfs/dbraw/zinc/13/79/40/556137940.db2.gz WGZWUEUKRAVJOS-UHFFFAOYSA-N 0 3 481.968 3.360 50 0 JGAAHN CCc1ccc([C@H](CNC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)N(C)C)cc1 ZINC000013021716 556211822 /nfs/dbraw/zinc/21/18/22/556211822.db2.gz OEELNYODOROJIL-REWPJTCUSA-N 0 3 461.603 3.208 50 0 JGAAHN CCCN(CC1CC1)[C@H]1CC(=O)N(c2ccc(N3C(=O)C[C@H](N(CCC)CC4CC4)C3=O)cc2)C1=O ZINC000017166634 556230173 /nfs/dbraw/zinc/23/01/73/556230173.db2.gz DNQLRXCCTIPAPK-ZEQRLZLVSA-N 0 3 494.636 3.194 50 0 JGAAHN O=C1C2=C(C(O)n3nnc4ccccc43)N3c4ccccc4C=C[C@H]3C2C(=O)N1c1ccc(F)cc1 ZINC000017967458 556273276 /nfs/dbraw/zinc/27/32/76/556273276.db2.gz BRBRZCNNNUKVTD-NEWJYFPISA-N 0 3 479.471 3.301 50 0 JGAAHN COc1cc(C[C@@H](C)NCc2cc(NC(=O)c3ccccn3)cc(C(=O)N(C)C)c2)ccc1O ZINC000019810663 556381316 /nfs/dbraw/zinc/38/13/16/556381316.db2.gz BYCBJOPCSHXOSZ-QGZVFWFLSA-N 0 3 462.550 3.471 50 0 JGAAHN O=C(CC1C(=O)N(CCN2CCOCC2)c2nc3ccccc3n21)Nc1ccccc1C(F)(F)F ZINC000030937561 556388412 /nfs/dbraw/zinc/38/84/12/556388412.db2.gz RYLFCFZBQGCGBH-HXUWFJFHSA-N 0 3 487.482 3.304 50 0 JGAAHN Cc1ccc(-c2noc3ncn(CCC(=O)NCCCN4CCc5ccccc5C4)c(=O)c32)cc1 ZINC000032933681 556549633 /nfs/dbraw/zinc/54/96/33/556549633.db2.gz SHPMQRCXAJHQHX-UHFFFAOYSA-N 0 3 471.561 3.315 50 0 JGAAHN CCN1CCN(CCCNC(=O)c2ccc3c(c2)NC(=O)/C(=C\c2ccc(Cl)cc2)O3)CC1 ZINC000032983615 569606833 /nfs/dbraw/zinc/60/68/33/569606833.db2.gz DAABSAILIYMASH-XQNSMLJCSA-N 0 3 468.985 3.469 50 0 JGAAHN O=S(=O)(c1ccc(Nc2ccc(N3CCN(Cc4ccccc4)CC3)cc2)nc1)N1CCOCC1 ZINC000062282008 569610655 /nfs/dbraw/zinc/61/06/55/569610655.db2.gz YEJNEEOCGGKLQL-UHFFFAOYSA-N 0 3 493.633 3.168 50 0 JGAAHN CN(C)CCNC(=O)c1ccc(Cl)c(NC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)c1 ZINC000062575484 569611547 /nfs/dbraw/zinc/61/15/47/569611547.db2.gz MWIRKKLGGMFXEL-UHFFFAOYSA-N 0 3 493.029 3.058 50 0 JGAAHN C[C@H]1CCCC[C@@]12NC(=O)N(CC(=O)Nc1ccc(N3CCN(Cc4ccccc4)CC3)cc1)C2=O ZINC000062733096 569614672 /nfs/dbraw/zinc/61/46/72/569614672.db2.gz IJJHGQUBOSCSLP-RBTNQOKQSA-N 0 3 489.620 3.448 50 0 JGAAHN CC(C)Cn1c2ccccc2nc(-c2ccc(C(=O)NCCCN3CCN(C)CC3)cc2)c1=O ZINC000033298561 569622582 /nfs/dbraw/zinc/62/25/82/569622582.db2.gz OJEIVNGGYKBSQE-UHFFFAOYSA-N 0 3 461.610 3.087 50 0 JGAAHN COc1cc(OC)c(NC(=O)N2CCN(c3cc(N4CCCC4)nc(C)n3)CC2)cc1Cl ZINC000033326772 569623883 /nfs/dbraw/zinc/62/38/83/569623883.db2.gz PZVGFZOTGDIOJF-UHFFFAOYSA-N 0 3 460.966 3.410 50 0 JGAAHN O=C(NC[C@@H](c1cccs1)N1CCCC1)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 ZINC000034798102 569660970 /nfs/dbraw/zinc/66/09/70/569660970.db2.gz OTCCCIOLARWBMK-PXNSSMCTSA-N 0 3 465.616 3.241 50 0 JGAAHN O=C(NC1CCN(Cc2ccccc2)CC1)c1cc2n(n1)CCN(Cc1cccc(F)c1)C2=O ZINC000034811139 569661745 /nfs/dbraw/zinc/66/17/45/569661745.db2.gz UGCTXZXPVJRHHL-UHFFFAOYSA-N 0 3 461.541 3.073 50 0 JGAAHN O=C(NC1CCN(Cc2ccccc2)CC1)c1nc(Cn2c(=O)oc3ccc(Cl)cc32)no1 ZINC000065111827 569664642 /nfs/dbraw/zinc/66/46/42/569664642.db2.gz FJIWMKRHHSQOPH-UHFFFAOYSA-N 0 3 467.913 3.074 50 0 JGAAHN O=C(NCCN1CCCCC1)c1nnc(N2CCN(c3ccc(F)cc3)CC2)c2ccccc21 ZINC000034839138 569666780 /nfs/dbraw/zinc/66/67/80/569666780.db2.gz KDWWRKVFCLGYIS-UHFFFAOYSA-N 0 3 462.573 3.311 50 0 JGAAHN Cc1ccnc(Oc2cccc(C(=O)N3CCN(c4cc(N5CCCC5)nc(C)n4)CC3)c2)n1 ZINC000072442060 569704166 /nfs/dbraw/zinc/70/41/66/569704166.db2.gz MPABXIRGRDHENB-UHFFFAOYSA-N 0 3 459.554 3.238 50 0 JGAAHN CC[C@H]1CN(c2nc(N)c(C(N)=O)nc2Cl)CCN1C1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000073160825 569704253 /nfs/dbraw/zinc/70/42/53/569704253.db2.gz UYDYJFWSPRQEAX-KRWDZBQOSA-N 0 3 492.455 3.030 50 0 JGAAHN Cn1cc(CN2CCC(C(=O)N3CCN(Cc4ccc5c(c4)OCO5)CC3)CC2)c2ccccc21 ZINC000035562263 569704810 /nfs/dbraw/zinc/70/48/10/569704810.db2.gz LXRLBSAFYAYIGP-UHFFFAOYSA-N 0 3 474.605 3.463 50 0 JGAAHN Cc1noc(C)c1-n1nc(-c2ccc(C)c(S(=O)(=O)NCCCN3CCC(C)CC3)c2)ccc1=O ZINC000085652076 569713854 /nfs/dbraw/zinc/71/38/54/569713854.db2.gz TUWOOEVFQUIACI-UHFFFAOYSA-N 0 3 499.637 3.213 50 0 JGAAHN CC(C)(C)N1CCN(c2ccc(Nc3ncc(-c4coc(C(N)=O)c4)n4ncnc34)cc2)CC1 ZINC000091297537 569721289 /nfs/dbraw/zinc/72/12/89/569721289.db2.gz DLGZLIXYVSQGOX-UHFFFAOYSA-N 0 3 460.542 3.147 50 0 JGAAHN CN(C)CCN1CCN(c2nc3nn(-c4cccc(F)c4)c(N)c3c(-c3ccccc3F)n2)CC1 ZINC000037360207 569784089 /nfs/dbraw/zinc/78/40/89/569784089.db2.gz AGTRIFNERKZHQV-UHFFFAOYSA-N 0 3 478.551 3.027 50 0 JGAAHN CN(C)CCN1CCN(c2nc3nn(-c4cc(F)ccc4F)c(N)c3c(-c3cccc(F)c3)n2)CC1 ZINC000037375692 569784324 /nfs/dbraw/zinc/78/43/24/569784324.db2.gz KOAASIZCKDUBGQ-UHFFFAOYSA-N 0 3 496.541 3.166 50 0 JGAAHN COc1ccc(S(=O)(=O)Oc2ccccc2CN(CCN(C)C)C(=O)c2ccco2)cc1 ZINC000037400402 569788153 /nfs/dbraw/zinc/78/81/53/569788153.db2.gz FOUIPTQMOXSUJF-UHFFFAOYSA-N 0 3 458.536 3.260 50 0 JGAAHN CCNC(=O)N(CCN(C)C)Cc1cc(Cl)ccc1OS(=O)(=O)c1ccc(NC(C)=O)cc1 ZINC000037423851 569788811 /nfs/dbraw/zinc/78/88/11/569788811.db2.gz WYKLBLFBDWULOG-UHFFFAOYSA-N 0 3 497.017 3.159 50 0 JGAAHN CN(C)CCNC(=O)[C@H]1CCCN1C(=O)c1csc(Nc2cccc(C(F)(F)F)c2)n1 ZINC000037426225 569789166 /nfs/dbraw/zinc/78/91/66/569789166.db2.gz XAWHYNAJTYCZSH-MRXNPFEDSA-N 0 3 455.506 3.188 50 0 JGAAHN CC(C)c1ccccc1OCC(=O)c1ccc2c(c1)N(CC(=O)NCCN1CCCCC1)C(=O)CO2 ZINC000037520073 569792758 /nfs/dbraw/zinc/79/27/58/569792758.db2.gz DDMSNHNZTSPCCX-UHFFFAOYSA-N 0 3 493.604 3.399 50 0 JGAAHN CCCCn1c(N)c(N(CC)C(=O)CN(Cc2ccccc2)C2CCCCC2)c(=O)[nH]c1=O ZINC000040151478 569819946 /nfs/dbraw/zinc/81/99/46/569819946.db2.gz MJMKOTBJVPVVOW-UHFFFAOYSA-N 0 3 455.603 3.107 50 0 JGAAHN CSCC[C@@H](NC(=O)c1ccccc1Br)C(=O)NC[C@@H](C)N1CCCCC1 ZINC000040157564 569821713 /nfs/dbraw/zinc/82/17/13/569821713.db2.gz OQAGGBXKJQFERX-CRAIPNDOSA-N 0 3 456.450 3.291 50 0 JGAAHN COC(=O)C1=C(C)N=C2SC=C(CC(=O)NC3CCN(C)CC3)N2[C@@H]1c1ccccc1OC ZINC000102764095 569822657 /nfs/dbraw/zinc/82/26/57/569822657.db2.gz MSSYPLCAKSMXQT-JOCHJYFZSA-N 0 3 470.595 3.044 50 0 JGAAHN CCCCN(CC)CCNS(=O)(=O)c1cc2c(cc1Br)CCN2C(=O)C1CC1 ZINC000040450538 569828529 /nfs/dbraw/zinc/82/85/29/569828529.db2.gz UBSZJYLVKDGKMU-UHFFFAOYSA-N 0 3 472.449 3.149 50 0 JGAAHN COC(=O)C1=C(C)N=C2SC=C(CC(=O)NC3CCN(C)CC3)N2[C@@H]1c1cccc(F)c1 ZINC000102940825 569829503 /nfs/dbraw/zinc/82/95/03/569829503.db2.gz LIFHZPRXLFTNAA-OAQYLSRUSA-N 0 3 458.559 3.174 50 0 JGAAHN CCC1=C(C(=O)OC)[C@H](c2cccc(OC)c2)N2C(CC(=O)N3CC[C@@H](N(C)C)C3)=CSC2=N1 ZINC000103052809 569832366 /nfs/dbraw/zinc/83/23/66/569832366.db2.gz WDLBLXYLOOBEQT-HXOBKFHXSA-N 0 3 484.622 3.386 50 0 JGAAHN O=C(NCC[NH+]1CCCCC1)[C@H]1CCCN(c2nc(=O)c3scc(-c4ccccc4)c3[n-]2)C1 ZINC000049421228 569846893 /nfs/dbraw/zinc/84/68/93/569846893.db2.gz UUQMBTAVJGBOOO-IBGZPJMESA-N 0 3 465.623 3.470 50 0 JGAAHN COC(=O)c1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc(O)c(OC)c4)[C@H]3C2=O)cc1 ZINC000245328657 570066006 /nfs/dbraw/zinc/06/60/06/570066006.db2.gz WASNZCDMELQKKI-DNVJHFABSA-N 0 3 474.469 3.239 50 0 JGAAHN O=C(NCCN1CCOCC1)c1ccc(N2CCC(N3CCCC[C@H]3c3ccccn3)CC2)cc1 ZINC000299756155 570174102 /nfs/dbraw/zinc/17/41/02/570174102.db2.gz ICWDJIFCYLWHSH-MHZLTWQESA-N 0 3 477.653 3.340 50 0 JGAAHN CN1CCN([C@@H]2CCN(Cc3ccccc3)C[C@@H]2CCC(=O)NCc2ccccc2F)CC1 ZINC000299790815 570177040 /nfs/dbraw/zinc/17/70/40/570177040.db2.gz CPGDUODWUCWIPD-AZGAKELHSA-N 0 3 452.618 3.360 50 0 JGAAHN O=C(CSC1=Nc2ccccc2C2=NC(CC(=O)NC3CCCCC3)C(=O)N21)NCc1ccco1 ZINC000002967970 194185670 /nfs/dbraw/zinc/18/56/70/194185670.db2.gz PJDFICYTYKCMAB-HXUWFJFHSA-N 0 3 493.589 3.127 50 0 JGAAHN CCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2sc3c(c2C(N)=O)CC(C)(C)NC3(C)C)cc1 ZINC000004177819 194382969 /nfs/dbraw/zinc/38/29/69/194382969.db2.gz DCESUZAPKDDLSI-UHFFFAOYSA-N 0 3 492.667 3.289 50 0 JGAAHN CC1(C)Cc2c(C(N)=O)c(NC(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)sc2C(C)(C)N1 ZINC000004177803 194383065 /nfs/dbraw/zinc/38/30/65/194383065.db2.gz RTADFMKNGYXERY-UHFFFAOYSA-N 0 3 490.651 3.043 50 0 JGAAHN O=C(CCc1ccc(S(=O)(=O)N2CCCCC2)cc1)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000012681419 195084363 /nfs/dbraw/zinc/08/43/63/195084363.db2.gz QQKQDRHQCAVZDP-HSZRJFAPSA-N 0 3 455.624 3.185 50 0 JGAAHN CN1CCN(CCCNC(=O)C2CCC(CNc3[nH]c(=S)nc4ccccc43)CC2)CC1 ZINC000020646075 195195003 /nfs/dbraw/zinc/19/50/03/195195003.db2.gz JLLFXIAIZAJSNJ-UHFFFAOYSA-N 0 3 456.660 3.264 50 0 JGAAHN CN(C)CCN(Cc1ccccc1)C(=O)Cn1cnc2onc(-c3ccc(Cl)cc3)c2c1=O ZINC000020847767 195230342 /nfs/dbraw/zinc/23/03/42/195230342.db2.gz KVTVRQBABRJXEX-UHFFFAOYSA-N 0 3 465.941 3.295 50 0 JGAAHN C=C1C(NCCCN2CCN(C3CCCCC3)CC2)=NS(=O)(=O)C1c1ccc(OC)cc1 ZINC000020901015 195241456 /nfs/dbraw/zinc/24/14/56/195241456.db2.gz DPUWBVPFABGCHX-UHFFFAOYSA-N 0 3 460.644 3.098 50 0 JGAAHN COc1ccc(-c2noc(N3CCC(C(=O)N4CCN(C5CCCCC5)CC4)CC3)n2)cc1 ZINC000020902287 195241742 /nfs/dbraw/zinc/24/17/42/195241742.db2.gz OKZUZNJKRZHCBP-UHFFFAOYSA-N 0 3 453.587 3.439 50 0 JGAAHN C[C@@H]1CN(C2CCN(c3ccc(C(=O)NCc4ccc5c(c4)OCO5)cc3)CC2)C[C@H](C)O1 ZINC000020908009 195245617 /nfs/dbraw/zinc/24/56/17/195245617.db2.gz WYODCGFLSLXWGD-KDURUIRLSA-N 0 3 451.567 3.423 50 0 JGAAHN COc1ccc([C@H](CNC(=O)c2cn(C)nc2-c2ccc3c(c2)OCCCO3)N(C)C)cc1 ZINC000020932190 195251371 /nfs/dbraw/zinc/25/13/71/195251371.db2.gz SONONQJWTMXMQY-NRFANRHFSA-N 0 3 450.539 3.290 50 0 JGAAHN Cc1c(C(=O)N2CCC([C@H](C)N3CCOCC3)CC2)cnn1-c1nccc(-c2ccccc2F)n1 ZINC000020996852 195264997 /nfs/dbraw/zinc/26/49/97/195264997.db2.gz HWZPHRSCUQJEHK-SFHVURJKSA-N 0 3 478.572 3.350 50 0 JGAAHN CC(C)[C@H](NS(=O)(=O)c1cccs1)C(=O)NCCN1CCC(Cc2ccccc2)CC1 ZINC000021052401 195272760 /nfs/dbraw/zinc/27/27/60/195272760.db2.gz YYRPQSPTMVCPFG-QFIPXVFZSA-N 0 3 463.669 3.122 50 0 JGAAHN CC(=O)N1CCCc2cc(S(=O)(=O)N3CCC(CN4CCc5ccccc5C4)CC3)ccc21 ZINC000021113649 195278151 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CC[C@@H](C(=O)NCCN1CCCCCC1)n1nc(C)c2nn(-c3ccccc3)c(C)c2c1=O ZINC000064971055 521839384 /nfs/dbraw/zinc/83/93/84/521839384.db2.gz PREQKXDWFDTRLI-NRFANRHFSA-N 0 3 450.587 3.142 50 0 JGAAHN COc1cc(=O)n2c(c1C(=O)N(C)Cc1nonc1C)CCN(Cc1cccc3ccccc31)CC2 ZINC000020452313 522017014 /nfs/dbraw/zinc/01/70/14/522017014.db2.gz MESDSIUAGAPRMC-UHFFFAOYSA-N 0 3 487.560 3.032 50 0 JGAAHN CN(C)[C@H](CNC(=O)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)c1ccccc1 ZINC000009127333 522068793 /nfs/dbraw/zinc/06/87/93/522068793.db2.gz ROWOXZNIKZCTJD-OAQYLSRUSA-N 0 3 450.004 3.160 50 0 JGAAHN CC[C@@H](C)NC(=O)c1cc([N-]S(=O)(=O)c2ccc(Br)cc2)ccc1N1CC[NH2+]CC1 ZINC000033120989 522215445 /nfs/dbraw/zinc/21/54/45/522215445.db2.gz FSYUKFOQTNVNLN-OAHLLOKOSA-N 0 3 495.443 3.188 50 0 JGAAHN CC[C@@H](CN(C)Cc1ccccc1)NC(=O)C1CCN(c2nc3cccnc3n(CC)c2=O)CC1 ZINC000033258988 522527604 /nfs/dbraw/zinc/52/76/04/522527604.db2.gz HONLQLZCPHHKHW-QFIPXVFZSA-N 0 3 476.625 3.055 50 0 JGAAHN CCc1c(C(=O)N2CCN(c3cccc(OC)c3)CC2)c(=O)cc(C)n1CCN1CCCCC1 ZINC000014981665 523687768 /nfs/dbraw/zinc/68/77/68/523687768.db2.gz IYAGEQKNHDFLMN-UHFFFAOYSA-N 0 3 466.626 3.176 50 0 JGAAHN CN1C(=O)C[C@](CC(=O)N2CCC(N3CCSCC3)CC2)(c2ccc(-c3ccccc3)cc2)C1=O ZINC000012283154 523711598 /nfs/dbraw/zinc/71/15/98/523711598.db2.gz VIOJJMPYMWWRRW-NDEPHWFRSA-N 0 3 491.657 3.410 50 0 JGAAHN COCCN1C(=O)N(CCCc2cccnc2)C(=O)C12CCN(C/C=C/c1ccccc1OC)CC2 ZINC000014744687 523800198 /nfs/dbraw/zinc/80/01/98/523800198.db2.gz LMSSRUFLTAOUCM-YRNVUSSQSA-N 0 3 492.620 3.481 50 0 JGAAHN COCCN1C(=O)N(CCc2ccccc2)C(=O)C12CCN(Cc1cccn1-c1cccnc1)CC2 ZINC000014749633 523801028 /nfs/dbraw/zinc/80/10/28/523801028.db2.gz YIHFGHSCRFYUEL-UHFFFAOYSA-N 0 3 487.604 3.360 50 0 JGAAHN COCCN1C(=O)N(Cc2cccc3ccccc32)C(=O)C12CCN(Cc1cnn(C)c1C)CC2 ZINC000014732867 523801854 /nfs/dbraw/zinc/80/18/54/523801854.db2.gz ZPYZGBCECOIJPH-UHFFFAOYSA-N 0 3 475.593 3.327 50 0 JGAAHN CN1CCC[C@H](CNC(=O)c2cc(NCc3ccoc3)cc(S(=O)(=O)NC(C)(C)C)c2)C1 ZINC000014754894 523840940 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WBDDSNDATHXKME-NRFANRHFSA-N 0 3 487.608 3.235 50 0 JGAAHN Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1CNC[C@H](c1cccs1)N1CCC(C)CC1 ZINC000022810653 526304057 /nfs/dbraw/zinc/30/40/57/526304057.db2.gz LMEHFQWKCDMTKC-TZIWHRDSSA-N 0 3 450.674 3.484 50 0 JGAAHN O=C(NCCN1CCCCC1)[C@@H](C1CCCC1)N1CCN(C(=O)c2cccc(Cl)c2)CC1 ZINC000036255080 526307586 /nfs/dbraw/zinc/30/75/86/526307586.db2.gz FDQIHZODWWVVAZ-HSZRJFAPSA-N 0 3 461.050 3.259 50 0 JGAAHN O=C(c1ccc(=O)[nH]c1)N1CCc2c(cc(-c3cccc(F)c3)c(=O)n2CCN2CCCCC2)C1 ZINC000014741257 526660352 /nfs/dbraw/zinc/66/03/52/526660352.db2.gz QQULTFWUYUHGPH-UHFFFAOYSA-N 0 3 476.552 3.027 50 0 JGAAHN NC(=O)CN1C(=O)N(CCc2ccccc2)C2(CCN(Cc3cccc(-c4ccco4)c3)CC2)C1=O ZINC000014743355 526881787 /nfs/dbraw/zinc/88/17/87/526881787.db2.gz MJHLDBRQVZCLMD-UHFFFAOYSA-N 0 3 486.572 3.273 50 0 JGAAHN NC(=O)CN1C(=O)N(CCc2ccccc2)C2(CCN(Cc3ccc(-c4ccco4)cc3)CC2)C1=O ZINC000014751366 526882001 /nfs/dbraw/zinc/88/20/01/526882001.db2.gz FQJGDPODXPXPFO-UHFFFAOYSA-N 0 3 486.572 3.273 50 0 JGAAHN O=C1CC[C@@H](CCNCc2cc3c(cc2Cl)OCO3)N1C[C@H](c1ccncc1)N1CCOCC1 ZINC000014994757 526989793 /nfs/dbraw/zinc/98/97/93/526989793.db2.gz IXQBZWGYKSPZLR-RBBKRZOGSA-N 0 3 487.000 3.008 50 0 JGAAHN O=C1CC[C@H](CCNCc2cc3c(cc2Cl)OCO3)N1C[C@H](c1ccccn1)N1CCOCC1 ZINC000014990999 526993476 /nfs/dbraw/zinc/99/34/76/526993476.db2.gz XOVLKNVAVZYNPJ-DENIHFKCSA-N 0 3 487.000 3.008 50 0 JGAAHN O=C(C[C@@]1(c2ccccc2)CC(=O)N(Cc2ccncc2)C1=O)N1CCN(C2CCCCC2)CC1 ZINC000014880847 527147169 /nfs/dbraw/zinc/14/71/69/527147169.db2.gz MMAXLSXKJPQCKB-NDEPHWFRSA-N 0 3 474.605 3.146 50 0 JGAAHN O=C(Cn1ncc2c3ccccc3n(Cc3ccccc3)c2c1=O)NCCN1CCCCCC1 ZINC000008933084 527423332 /nfs/dbraw/zinc/42/33/32/527423332.db2.gz PFJOOBGJGOGFOQ-UHFFFAOYSA-N 0 3 457.578 3.392 50 0 JGAAHN Cn1nc(C(=O)N2CCSCC2)c2c1CC[C@@H](NCc1cc(F)cc(C(F)(F)F)c1)C2 ZINC000014732406 527542429 /nfs/dbraw/zinc/54/24/29/527542429.db2.gz MTXFNYYMJHTWOE-MRXNPFEDSA-N 0 3 456.509 3.414 50 0 JGAAHN OCCN(Cc1ccccc1)C[C@@H](O)COc1ccc(Br)cc1Br ZINC000012420361 527550478 /nfs/dbraw/zinc/55/04/78/527550478.db2.gz FKPYBUBDFOZNHQ-MRXNPFEDSA-N 0 3 459.178 3.446 50 0 JGAAHN COc1cc(N)c(Cl)cc1C(=O)N[C@@H]1CCN(CCCOc2ccc(F)cc2)C[C@@H]1OC ZINC000003775140 554470914 /nfs/dbraw/zinc/47/09/14/554470914.db2.gz DCSUBABJRXZOMT-IRLDBZIGSA-N 0 3 465.953 3.358 50 0 world JGAAHN C[C@@]1(c2ccc3ccccc3c2)NC(=O)N(CC(=O)NC2CCN(Cc3ccccc3)CC2)C1=O ZINC000008895135 554784687 /nfs/dbraw/zinc/78/46/87/554784687.db2.gz TYNVGOKKVMAZLI-NDEPHWFRSA-N 0 3 470.573 3.388 50 0 JGAAHN CCN1CCC[C@H]1CNC(=O)Cn1ncc2c3ccccc3n(Cc3ccccc3C)c2c1=O ZINC000008933143 554826841 /nfs/dbraw/zinc/82/68/41/554826841.db2.gz KFMICCLGJCFFKN-NRFANRHFSA-N 0 3 457.578 3.308 50 0 JGAAHN CCc1ccc(NC(=O)[C@@H](NC(=O)C2CCN(C(=O)[C@@H](N)Cc3ccccc3)CC2)C(C)C)cc1 ZINC000008952634 554836309 /nfs/dbraw/zinc/83/63/09/554836309.db2.gz XDUSXHYCZFYPIH-DQEYMECFSA-N 0 3 478.637 3.137 50 0 biogenic JGAAHN CC(C)C[C@H](N)C(=O)N1CCC(C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](C)c2ccccc2)CC1 ZINC000008952620 554836316 /nfs/dbraw/zinc/83/63/16/554836316.db2.gz PLUMJRUUQXWUKH-NYMACZPPSA-N 0 3 492.664 3.203 50 0 biogenic JGAAHN COC(=O)c1ccc([C@H]2c3c(oc4cc(OC)ccc4c3=O)C(=O)N2CCCN(C)C)cc1 ZINC000009042114 554869236 /nfs/dbraw/zinc/86/92/36/554869236.db2.gz DKRZVCFNHJQLFO-NRFANRHFSA-N 0 3 450.491 3.085 50 0 JGAAHN CCCn1c2ccccc2c2cnn(CC(=O)NCCCN3CCc4ccccc4C3)c(=O)c21 ZINC000009153419 554943189 /nfs/dbraw/zinc/94/31/89/554943189.db2.gz FRXXSIDGTUPUND-UHFFFAOYSA-N 0 3 457.578 3.326 50 0 JGAAHN CN(CCNC(=O)[C@@H]1CCCN(c2ncnc3c2nc2n3CCCCC2)C1)Cc1ccccc1 ZINC000009211054 554980731 /nfs/dbraw/zinc/98/07/31/554980731.db2.gz JAARUHFBIKLOMY-OAQYLSRUSA-N 0 3 461.614 3.017 50 0 JGAAHN CCN(CC)CCOC(=O)c1ccc(NC(=O)Cn2ncc3c4ccccc4[nH]c3c2=O)cc1 ZINC000009211332 554981205 /nfs/dbraw/zinc/98/12/05/554981205.db2.gz HAXRJBOLEJKXSM-UHFFFAOYSA-N 0 3 461.522 3.015 50 0 JGAAHN CCCN1CCN(c2nnc(-n3cccc3CNCc3cc(OC)ccc3OC)s2)CC1 ZINC000009265790 555041734 /nfs/dbraw/zinc/04/17/34/555041734.db2.gz NFCNZOYGVVHGIZ-UHFFFAOYSA-N 0 3 456.616 3.168 50 0 JGAAHN O=C(CN1C(=O)NC2(CCN(Cc3ccccc3)CC2)C1=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000009419154 555186188 /nfs/dbraw/zinc/18/61/88/555186188.db2.gz KPJSHVUSUHSJLF-UHFFFAOYSA-N 0 3 476.455 3.110 50 0 JGAAHN CN(C)CCN(Cc1ccccc1)C(=O)[C@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O ZINC000009587503 555399268 /nfs/dbraw/zinc/39/92/68/555399268.db2.gz LKCRDVBLTFLSIR-VWLOTQADSA-N 0 3 455.558 3.484 50 0 JGAAHN O=C(N[C@H]1CCN(Cc2ccccc2)C1)C1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1 ZINC000009950712 555564995 /nfs/dbraw/zinc/56/49/95/555564995.db2.gz UJCKAVIPYWDVKH-VWLOTQADSA-N 0 3 481.662 3.357 50 0 JGAAHN COc1ccc(N2C(=O)CC[C@H](C(=O)NCCCN3CCN(C)CC3)[C@@H]2c2ccc(F)cc2)cc1 ZINC000020113748 555651420 /nfs/dbraw/zinc/65/14/20/555651420.db2.gz AJQZJUDKOYYRMT-AHWVRZQESA-N 0 3 482.600 3.072 50 0 JGAAHN CCCN1CCN(CCCNC(=O)c2cc3c(-c4cccc(OC)c4)nn(C)c3s2)CC1 ZINC000020233493 555724565 /nfs/dbraw/zinc/72/45/65/555724565.db2.gz BJXOOXBVKDYBJK-UHFFFAOYSA-N 0 3 455.628 3.458 50 0 JGAAHN 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CC(C)COC[C@H](O)CN1CCCN(c2ccc(NC(=O)c3ccc(F)cc3F)cn2)CC1 ZINC000034682309 569643995 /nfs/dbraw/zinc/64/39/95/569643995.db2.gz UHQHYVOBCWZVFF-HXUWFJFHSA-N 0 3 462.541 3.158 50 0 JGAAHN Cc1ccc(C(=O)N(CCN(C)C)C[C@H]2CN(C(=S)Nc3ccc(F)cc3)CCO2)cc1 ZINC000034692066 569646360 /nfs/dbraw/zinc/64/63/60/569646360.db2.gz QLEKKGIEVDDWFW-QFIPXVFZSA-N 0 3 458.603 3.236 50 0 JGAAHN COCCN(C[C@H]1CN(Cc2ccccc2OC)C[C@@H]1c1ccccc1OC)C(=O)COC ZINC000034740631 569655517 /nfs/dbraw/zinc/65/55/17/569655517.db2.gz WUCLDXCDDQSSGA-GGAORHGYSA-N 0 3 456.583 3.041 50 0 JGAAHN O=C(NC1CCN(Cc2ccccc2)CC1)c1csc(-c2ccnc(N3CCOCC3)c2)n1 ZINC000065062595 569656155 /nfs/dbraw/zinc/65/61/55/569656155.db2.gz ZMNMOSPMYSREBN-UHFFFAOYSA-N 0 3 463.607 3.436 50 0 JGAAHN CCN1CCN(CCCNC(=O)c2ccc(-c3noc(-c4ccc(OC)cc4)n3)s2)CC1 ZINC000065062897 569656245 /nfs/dbraw/zinc/65/62/45/569656245.db2.gz HKBBWQVAGFDDKI-UHFFFAOYSA-N 0 3 455.584 3.231 50 0 JGAAHN CN(C)c1nc(N2CCN(C3CCCCC3)CC2)nc2c1CN(C(=O)Cc1ccccc1)CC2 ZINC000034756125 569656441 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CCN1CCN(CCNC(=O)Cc2ccc(NC(=O)N3CCCCc4ccccc43)cc2)CC1 ZINC000020988269 195261472 /nfs/dbraw/zinc/26/14/72/195261472.db2.gz OCZULANXHGHDKM-UHFFFAOYSA-N 0 3 463.626 3.358 50 0 JGAAHN CCCCN(CCNC(=O)[C@@H]1CCCN(c2nnc(N3CCCC3=O)s2)C1)Cc1cccs1 ZINC000021027184 195269087 /nfs/dbraw/zinc/26/90/87/195269087.db2.gz VOYWOTRNZYGEEH-GOSISDBHSA-N 0 3 490.699 3.361 50 0 JGAAHN O=C(NC1CCN(Cc2ccccc2)CC1)c1cc2n(n1)CCCN(Cc1ccc(F)cc1)C2=O ZINC000021049561 195272274 /nfs/dbraw/zinc/27/22/74/195272274.db2.gz FLKNTPKBTJXALO-UHFFFAOYSA-N 0 3 475.568 3.463 50 0 JGAAHN O=C(NCCCN1CCN(Cc2ccccc2)CC1)c1cccn1-c1nnc(N2CCCCC2)s1 ZINC000021535485 195311088 /nfs/dbraw/zinc/31/10/88/195311088.db2.gz GRAQMLQYQFNSCJ-UHFFFAOYSA-N 0 3 493.681 3.257 50 0 JGAAHN C[C@H]1CCCN(CCNC(=O)c2cccnc2SCC(=O)Nc2ccc3c(c2)OCO3)C1 ZINC000058423438 195379136 /nfs/dbraw/zinc/37/91/36/195379136.db2.gz NGBMFTPGENTDLK-INIZCTEOSA-N 0 3 456.568 3.003 50 0 JGAAHN C[C@@H]1CN(CC2CCN(CC(=O)Nc3cccc(I)c3)CC2)C[C@@H](C)O1 ZINC000058224414 195374467 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CCN1C(=O)N(C2Cc3ccccc3C2)C(=O)C12CCN(Cc1cccc3nccnc13)CC2 ZINC000014732647 521525356 /nfs/dbraw/zinc/52/53/56/521525356.db2.gz VWAZEPMOQBKVSX-UHFFFAOYSA-N 0 3 455.562 3.416 50 0 JGAAHN CCN1CCC[C@@H]1CNC(=O)c1cnn(-c2nccc(-c3cc(OC)ccc3OC)n2)c1C1CC1 ZINC000012218363 521639076 /nfs/dbraw/zinc/63/90/76/521639076.db2.gz YDAUKVVZLHLXMD-GOSISDBHSA-N 0 3 476.581 3.438 50 0 JGAAHN CN(C)CCN1C(=O)N[C@](CCc2ccccc2)(C2CCN(C(=O)Cc3cccs3)CC2)C1=O ZINC000012203204 521758452 /nfs/dbraw/zinc/75/84/52/521758452.db2.gz ZCZRTOYRMCZWIJ-AREMUKBSSA-N 0 3 482.650 3.014 50 0 JGAAHN CN(C)CCNC(=O)c1coc(CN(Cc2ccc3c(c2)OCO3)Cc2ccccc2F)n1 ZINC000036065785 521787516 /nfs/dbraw/zinc/78/75/16/521787516.db2.gz ZLCGQVGCZCISCB-UHFFFAOYSA-N 0 3 454.502 3.036 50 0 JGAAHN COc1cc(-c2nc3c4c(ncn3n2)Oc2n[nH]c(C)c2C4c2cnn(C)c2)ccc1OC(F)F ZINC000022716869 521907372 /nfs/dbraw/zinc/90/73/72/521907372.db2.gz YKYHICSUUVIMHS-MRXNPFEDSA-N 0 3 480.435 3.452 50 0 JGAAHN CN(C)[C@@H](CNC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1F)c1ccccc1 ZINC000022622890 522019783 /nfs/dbraw/zinc/01/97/83/522019783.db2.gz IMLFJINCWRZFEG-PKTZIBPZSA-N 0 3 469.582 3.134 50 0 JGAAHN CN(C)[C@H](CNC(=O)CCc1nc2cc(S(=O)(=O)N3CCCCC3)ccc2n1C)c1ccccc1 ZINC000016599079 522072523 /nfs/dbraw/zinc/07/25/23/522072523.db2.gz OZGFZBULDRRLJB-XMMPIXPASA-N 0 3 497.665 3.100 50 0 JGAAHN CN(C)[C@H](CNC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1F)c1ccccc1 ZINC000022622893 522076795 /nfs/dbraw/zinc/07/67/95/522076795.db2.gz IMLFJINCWRZFEG-DHIUTWEWSA-N 0 3 469.582 3.134 50 0 JGAAHN COC(=O)c1ccc(NC(=O)C(=O)NCC2CCN(Cc3ccccc3SC)CC2)cc1 ZINC000043942585 522083765 /nfs/dbraw/zinc/08/37/65/522083765.db2.gz MUZJUPOSTPDFIR-UHFFFAOYSA-N 0 3 455.580 3.162 50 0 JGAAHN CC[C@@H](C)NC(=O)c1cc([N-]S(=O)(=O)c2ccc3c(c2)CCCC3)ccc1N1CC[NH2+]CC1 ZINC000033121111 522215096 /nfs/dbraw/zinc/21/50/96/522215096.db2.gz QCQVPWINLNKGLJ-GOSISDBHSA-N 0 3 470.639 3.304 50 0 JGAAHN CC[C@@H](C)NC(=O)c1cc([N-]S(=O)(=O)c2cc(C)c(C)cc2C)ccc1N1CC[NH2+]CC1 ZINC000033121249 522215114 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COc1ccccc1CN1CCC2(CC[C@H](CNC(=O)CN3C[C@@H](c4ccccc4)CC3=O)O2)CC1 ZINC000015005839 555850577 /nfs/dbraw/zinc/85/05/77/555850577.db2.gz PDZJQKDKTPUALM-LOSJGSFVSA-N 0 3 491.632 3.341 50 0 JGAAHN Cc1ccc(F)c(CN[C@@H]2CCc3c(sc4ncn(Cc5cnn(C)c5)c(=O)c34)C2)c1F ZINC000015067203 555867445 /nfs/dbraw/zinc/86/74/45/555867445.db2.gz VGMOMKWGIBWQHW-OAHLLOKOSA-N 0 3 455.534 3.474 50 0 JGAAHN Cc1cc(C)n(C[C@@H](C)N2CCC(n3nccc3NC(=O)c3ccc4c(c3)OCO4)CC2)n1 ZINC000015079117 555872267 /nfs/dbraw/zinc/87/22/67/555872267.db2.gz XKAPJPRZAMLKII-GOSISDBHSA-N 0 3 450.543 3.403 50 0 JGAAHN CN(C(=O)c1ccn(C)n1)[C@H](Cc1ccccc1)C1CCN(Cc2cccc(OCCO)c2)CC1 ZINC000011968630 555873043 /nfs/dbraw/zinc/87/30/43/555873043.db2.gz CSYWAEKFHZMONY-HHHXNRCGSA-N 0 3 476.621 3.387 50 0 JGAAHN Cc1ccccc1[C@@]1(CC(=O)N2CC[C@H](c3ccc(F)cc3)C2)CC(=O)N(CCN(C)C)C1=O ZINC000012034439 555887939 /nfs/dbraw/zinc/88/79/39/555887939.db2.gz UMBMGYXSRFXLJP-KDYSTLNUSA-N 0 3 465.569 3.099 50 0 JGAAHN CC1(C)[C@@H]2C[C@H]1C(CN1CCc3nnc(CCNC(=O)Cc4ccc(F)cc4)n3CC1)=CC2 ZINC000012038153 555891408 /nfs/dbraw/zinc/89/14/08/555891408.db2.gz QPTRQBACDUIVIV-UNMCSNQZSA-N 0 3 451.590 3.169 50 0 JGAAHN O=C1CC[C@@H](CCNCc2cc3c(cc2Cl)OCO3)N1C[C@H](c1cccnc1)N1CCOCC1 ZINC000012040480 555893240 /nfs/dbraw/zinc/89/32/40/555893240.db2.gz GSPYCHRVUVGXAX-RBBKRZOGSA-N 0 3 487.000 3.008 50 0 JGAAHN CN(C)CCN1C(=O)C[C@@](CC(=O)N(C)Cc2ccc(F)cc2)(c2ccccc2Cl)C1=O ZINC000012041849 555894365 /nfs/dbraw/zinc/89/43/65/555894365.db2.gz KPYLPGFEUKLRAP-DEOSSOPVSA-N 0 3 459.949 3.086 50 0 JGAAHN COc1ccc2c(c1)-c1nc(-n3ncc(C(=O)NC[C@@H]4CCCN(C)C4)c3C3CC3)ncc1CC2 ZINC000012125554 555910305 /nfs/dbraw/zinc/91/03/05/555910305.db2.gz IHEBWKWZFYVGGW-KRWDZBQOSA-N 0 3 472.593 3.386 50 0 JGAAHN COCC(=O)N[C@@H](CC(C)C)c1nnc2n1CCN(Cc1ccc(CN3CCCCC3)s1)CC2 ZINC000012190420 555937418 /nfs/dbraw/zinc/93/74/18/555937418.db2.gz KOFXJFQHQHKQFW-QFIPXVFZSA-N 0 3 488.702 3.234 50 0 JGAAHN CCCCCn1c(N2CCN(Cc3cccc4ccccc43)CC2)nc2c1c(=O)[nH]c(=O)n2C ZINC000022855256 555962540 /nfs/dbraw/zinc/96/25/40/555962540.db2.gz KIIOTFWPOOMWMJ-UHFFFAOYSA-N 0 3 460.582 3.089 50 0 JGAAHN COc1ccc([C@@H](CNCc2c(C)nn([C@@H]3CCS(=O)(=O)C3)c2C)N2CCCCC2)cc1 ZINC000022921925 555975797 /nfs/dbraw/zinc/97/57/97/555975797.db2.gz ORVZJRGKYUUQQX-ZJSXRUAMSA-N 0 3 460.644 3.185 50 0 JGAAHN Cc1cc(=O)oc2cc(OCC(=O)NCC3(N4CCN(C)CC4)CCCCC3)c(Cl)cc12 ZINC000022933429 555985881 /nfs/dbraw/zinc/98/58/81/555985881.db2.gz CSBBNQBJWUDLAO-UHFFFAOYSA-N 0 3 461.990 3.200 50 0 JGAAHN C[C@@H](NCC1(N2CCOCC2)CCCCC1)C(=O)N1CC(=O)Nc2cc(C(F)(F)F)ccc21 ZINC000023300476 556039390 /nfs/dbraw/zinc/03/93/90/556039390.db2.gz SFRIUNGBIWNBCW-MRXNPFEDSA-N 0 3 468.520 3.004 50 0 JGAAHN COc1ccc([C@H](CNC(=O)CCc2c(C)nc3nc(C(F)(F)F)nn3c2C)N(C)C)cc1 ZINC000012738676 556106780 /nfs/dbraw/zinc/10/67/80/556106780.db2.gz JTTLAOVXQULLHB-SFHVURJKSA-N 0 3 464.492 3.120 50 0 JGAAHN CC(C)C[NH+]1CCC(NC(=O)c2cccc(NC(=O)Cc3sc(N4CCCCC4)nc3[O-])c2)CC1 ZINC000012915172 556134364 /nfs/dbraw/zinc/13/43/64/556134364.db2.gz RFNIOIWJXIWYBI-QFIPXVFZSA-N 0 3 499.681 3.349 50 0 JGAAHN CC1CCN([C@@H](CNC(=O)[C@H]2CC(=O)N(c3ccc4c(c3)OCO4)C2)c2cccs2)CC1 ZINC000024550530 556135880 /nfs/dbraw/zinc/13/58/80/556135880.db2.gz SHJOQTFRHIFNCG-HKUYNNGSSA-N 0 3 455.580 3.419 50 0 JGAAHN O=C(NC[C@@H](c1cccs1)N1CCCC1)[C@H]1CCCN(S(=O)(=O)c2cccs2)C1 ZINC000024992601 556171422 /nfs/dbraw/zinc/17/14/22/556171422.db2.gz SMIAZYMAGLQVIZ-IRXDYDNUSA-N 0 3 453.655 3.164 50 0 JGAAHN Cc1nn([C@H]2CCS(=O)(=O)C2)c2nc(-c3ccc(F)cc3)cc(C(=O)N(C)C3CCN(C)CC3)c12 ZINC000016992679 556196068 /nfs/dbraw/zinc/19/60/68/556196068.db2.gz KBGMHNJVDUBHIA-FQEVSTJZSA-N 0 3 499.612 3.072 50 0 JGAAHN CCOC(=O)c1ccc(N2C(=O)C[C@H](NC3CCN(c4ccc(C(F)(F)F)cn4)CC3)C2=O)cc1 ZINC000018176033 556298282 /nfs/dbraw/zinc/29/82/82/556298282.db2.gz IKEDGYRTKRFWCS-IBGZPJMESA-N 0 3 490.482 3.168 50 0 JGAAHN 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O=C(Nc1ccc(N2CCCN(C[C@H](O)COCc3ccco3)CC2)nc1)c1cc(F)cc(F)c1 ZINC000034682316 569643885 /nfs/dbraw/zinc/64/38/85/569643885.db2.gz JUBXUVVMGLVFNM-QFIPXVFZSA-N 0 3 486.519 3.295 50 0 JGAAHN CN(C)CCN(C[C@@H]1CN(C(=S)Nc2ccc(F)cc2)CCO1)C(=O)c1ccc(F)cc1 ZINC000034692063 569646341 /nfs/dbraw/zinc/64/63/41/569646341.db2.gz HMBROKQLKIPUDJ-OAQYLSRUSA-N 0 3 462.566 3.066 50 0 JGAAHN C[C@@H](C(=O)N1CCN(C2CCCCC2)CC1)C1CCN(S(=O)(=O)c2cccs2)CC1 ZINC000065061790 569655445 /nfs/dbraw/zinc/65/54/45/569655445.db2.gz AFGJGZWOSLMBMC-GOSISDBHSA-N 0 3 453.674 3.262 50 0 JGAAHN O=C(CC1CCN(S(=O)(=O)c2cccs2)CC1)NCCCN1CCc2ccccc2C1 ZINC000065061732 569655529 /nfs/dbraw/zinc/65/55/29/569655529.db2.gz YKNLUZLRVMYPHP-UHFFFAOYSA-N 0 3 461.653 3.104 50 0 JGAAHN CN(C)CCN1CCN(C(=O)c2ccc(/C=C3\SC(=O)N(Cc4cccc(F)c4)C3=O)cc2)CC1 ZINC000034761421 569657774 /nfs/dbraw/zinc/65/77/74/569657774.db2.gz LIADLVKIFCCGEZ-QJOMJCCJSA-N 0 3 496.608 3.382 50 0 JGAAHN O=C(NC1CCN(Cc2ccccc2)CC1)[C@@H]1CCCN(c2cnn(Cc3ccccc3)c(=O)c2)C1 ZINC000065314216 569672401 /nfs/dbraw/zinc/67/24/01/569672401.db2.gz WPZPEOIXJNXNQG-RUZDIDTESA-N 0 3 485.632 3.289 50 0 JGAAHN COc1ccc(Cl)cc1C(=O)N1CCC[C@@H]1C(=O)NCc1ccc(CN2CCN(C)CC2)cc1 ZINC000065614952 569676322 /nfs/dbraw/zinc/67/63/22/569676322.db2.gz KSVQHWQBFCJDHR-HSZRJFAPSA-N 0 3 485.028 3.017 50 0 JGAAHN O=C1Nc2ccccc2[C@@]12C(=C(O)c1ccc3c(c1)OCO3)[C@]1(C(=O)Nc3ccccc31)[C@@H]1CCCN12 ZINC000035361861 569682259 /nfs/dbraw/zinc/68/22/59/569682259.db2.gz KLBGMQIBRBPRNW-OMUKXZKBSA-N 0 3 493.519 3.430 50 0 biogenic JGAAHN O=C(c1ccc2c(c1)OCO2)[C@H]1[C@]2(C(=O)Nc3ccccc32)[C@@H]2CCCN2[C@@]12C(=O)Nc1ccccc12 ZINC000035361861 569682260 /nfs/dbraw/zinc/68/22/60/569682260.db2.gz KLBGMQIBRBPRNW-OMUKXZKBSA-N 0 3 493.519 3.430 50 0 biogenic JGAAHN O=C(c1ccc2c(c1)OCO2)C1[C@]2(C(=O)Nc3ccccc32)[C@@H]2CCCN2[C@@]12C(=O)Nc1ccccc12 ZINC000035361861 569682261 /nfs/dbraw/zinc/68/22/61/569682261.db2.gz KLBGMQIBRBPRNW-OMUKXZKBSA-N 0 3 493.519 3.430 50 0 biogenic JGAAHN 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COc1ccc([C@@H]2C[C@@H](C(F)(F)F)n3nc(C(=O)N4CCN5CCC[C@@H]5C4)cc3N2)cc1OC ZINC000020601923 555842560 /nfs/dbraw/zinc/84/25/60/555842560.db2.gz XPRVNINOZFUJAL-GUXCAODWSA-N 0 3 479.503 3.481 50 0 JGAAHN COc1cc(C)c(CN2CCc3nnc(CCNC(=O)Cc4ccc(F)cc4)n3CC2)cc1C ZINC000015004040 555848849 /nfs/dbraw/zinc/84/88/49/555848849.db2.gz NQCSXSHZHXKXED-UHFFFAOYSA-N 0 3 465.573 3.002 50 0 JGAAHN CCC(CC)CN1C[C@@H](n2cc(C(=O)OC)nn2)C[C@H]1C(=O)NCCc1cccc(Cl)c1 ZINC000011910489 555857748 /nfs/dbraw/zinc/85/77/48/555857748.db2.gz GDVKGRWDCZXHOI-FPOVZHCZSA-N 0 3 461.994 3.129 50 0 JGAAHN CN(C)CCN1C(=O)N[C@@](CCc2ccccc2)(C2CCN(C(=O)c3ccc(F)cc3)CC2)C1=O ZINC000011910734 555858315 /nfs/dbraw/zinc/85/83/15/555858315.db2.gz QSHFGQZFMOQSIH-MHZLTWQESA-N 0 3 480.584 3.163 50 0 JGAAHN C[C@H]1CN(c2ccccc2)CCN1C(=O)C[C@@]1(c2ccccc2Cl)CC(=O)N(CCN(C)C)C1=O ZINC000011913605 555863422 /nfs/dbraw/zinc/86/34/22/555863422.db2.gz JUPKZBYWCMJUDV-DCFHFQCYSA-N 0 3 497.039 3.026 50 0 JGAAHN 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C[C@@H](CS(=O)(=O)c1ccc2c(c1)NC(=O)[C@H](C)S2)C(=O)N1CCC(N2CCCCC2)CC1 ZINC000015726673 555965562 /nfs/dbraw/zinc/96/55/62/555965562.db2.gz FYYLVEFQSURZNS-IRXDYDNUSA-N 0 3 479.668 3.006 50 0 JGAAHN Cc1ccc(CN2CC[C@H](CNC(=O)CCc3nnc4ccc(NCc5cccnc5)nn43)C2)cc1 ZINC000015776345 555996326 /nfs/dbraw/zinc/99/63/26/555996326.db2.gz TWMSLHJRFPKMBI-HSZRJFAPSA-N 0 3 484.608 3.011 50 0 JGAAHN CC(C)(CNC(=O)c1cc(S(=O)(=O)N2CCOCC2)c(Cl)cc1Cl)N1CCCCC1 ZINC000012945160 556157148 /nfs/dbraw/zinc/15/71/48/556157148.db2.gz FGEVSCJBBUYGCI-UHFFFAOYSA-N 0 3 478.442 3.009 50 0 JGAAHN CCc1ccc([C@@H](CNC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(OC)cc3)C2)N(C)C)cc1 ZINC000027597375 556300823 /nfs/dbraw/zinc/30/08/23/556300823.db2.gz UZIMGSYRAZXUNL-XUZZJYLKSA-N 0 3 473.639 3.077 50 0 JGAAHN CCN1CCN(c2ccc(NC(=O)CSc3nc4ccccc4c(=O)n3[C@@H](C)COC)cc2)CC1 ZINC000018284844 556318939 /nfs/dbraw/zinc/31/89/39/556318939.db2.gz ZEVCIBOPOAVUIC-IBGZPJMESA-N 0 3 495.649 3.477 50 0 JGAAHN CCN1CCN(Cc2ccccc2CNC(=O)[C@@H](NC(=O)c2ccccc2C)C(C)C)CC1 ZINC000032915640 556539393 /nfs/dbraw/zinc/53/93/93/556539393.db2.gz SOKQPLUUYFGOAA-VWLOTQADSA-N 0 3 450.627 3.203 50 0 JGAAHN CCN1CCN(Cc2ccc(NC(=O)CCc3c(C)nc4nc(C(F)(F)F)nn4c3C)cc2)CC1 ZINC000032915637 556539406 /nfs/dbraw/zinc/53/94/06/556539406.db2.gz PVOSMVBYFZVBMJ-UHFFFAOYSA-N 0 3 489.546 3.469 50 0 JGAAHN CC[C@H]1CCCCN1C(=O)C(C)S(=O)(=O)Cc1cc2c(cc1Br)OCCO2 ZINC000032929796 556545922 /nfs/dbraw/zinc/54/59/22/556545922.db2.gz AYLLYPMUQPBEDX-HIFRSBDPSA-N 0 3 460.390 3.315 50 0 JGAAHN Cc1c(CN2CCC([C@]3(C)NC(=O)N(Cc4ccsc4)C3=O)CC2)c(=O)n(-c2ccccc2)n1C ZINC000055037175 569590458 /nfs/dbraw/zinc/59/04/58/569590458.db2.gz UHFUUXLZBQTGOT-SANMLTNESA-N 0 3 493.633 3.269 50 0 JGAAHN Cc1c(CN2CCC([C@@]3(C)NC(=O)N(Cc4ccsc4)C3=O)CC2)c(=O)n(-c2ccccc2)n1C ZINC000055037173 569590525 /nfs/dbraw/zinc/59/05/25/569590525.db2.gz UHFUUXLZBQTGOT-AREMUKBSSA-N 0 3 493.633 3.269 50 0 JGAAHN CC(C)CN1C(=O)N(CC(C)C)C(=O)C2(Cc3c(Cl)cccc3N3CCN(C)C[C@H]32)C1=O ZINC000057120930 569594437 /nfs/dbraw/zinc/59/44/37/569594437.db2.gz PFWDFFCUTFIMNJ-FQEVSTJZSA-N 0 3 461.006 3.106 50 0 JGAAHN CCN(C(=O)CN[C@H](C)c1cccc2ccccc21)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000057270800 569595357 /nfs/dbraw/zinc/59/53/57/569595357.db2.gz GUNFDUYXRBFODN-GOSISDBHSA-N 0 3 471.561 3.024 50 0 JGAAHN Cc1cccc(N2CCN(CCCNC(=O)Cn3c4cc(C)c(C)cc4nc(C)c3=O)C[C@@H]2C)c1 ZINC000032974681 569605708 /nfs/dbraw/zinc/60/57/08/569605708.db2.gz VXDMZRCSCBJMHD-QFIPXVFZSA-N 0 3 475.637 3.347 50 0 JGAAHN Cc1cccc(N2CCN(CCCNC(=O)CCn3c4ccccc4nc(C)c3=O)C[C@H]2C)c1 ZINC000033005335 569614488 /nfs/dbraw/zinc/61/44/88/569614488.db2.gz FISDBYHKKJEOED-OAQYLSRUSA-N 0 3 461.610 3.120 50 0 JGAAHN Cc1cc(C)cc(-n2ccn3c(CCCC(=O)N4CCN(C5CCCCC5)CC4)nnc3c2=O)c1 ZINC000064591531 569621971 /nfs/dbraw/zinc/62/19/71/569621971.db2.gz UCZWMCPYTBRQIZ-UHFFFAOYSA-N 0 3 476.625 3.297 50 0 JGAAHN CCOc1ccc(-n2ccn3c(CCCC(=O)N4CCN(C5CCCCC5)CC4)nnc3c2=O)cc1 ZINC000064591646 569622120 /nfs/dbraw/zinc/62/21/20/569622120.db2.gz URUDTMHKVMBSRV-UHFFFAOYSA-N 0 3 492.624 3.079 50 0 JGAAHN O=C(NCC1CCN(Cc2ccc(F)cc2)CC1)c1nc(-c2ccc(N3CCOCC3)cc2)no1 ZINC000064606103 569622793 /nfs/dbraw/zinc/62/27/93/569622793.db2.gz ZGLYUDWHSHUYPZ-UHFFFAOYSA-N 0 3 479.556 3.354 50 0 JGAAHN Cc1nc2ccc(S(=O)(=O)N3CCN(c4cc(N5CCCCC5)nc(C)n4)CC3)cc2s1 ZINC000033318396 569623005 /nfs/dbraw/zinc/62/30/05/569623005.db2.gz UHRRGJMKTVRZAI-UHFFFAOYSA-N 0 3 472.640 3.204 50 0 JGAAHN CC[C@H](C(=O)NCCCN1CCc2ccccc2C1)n1c2ccccc2c2cnn(C)c(=O)c21 ZINC000064787535 569627845 /nfs/dbraw/zinc/62/78/45/569627845.db2.gz DLSALSHIFVFNNE-HSZRJFAPSA-N 0 3 457.578 3.404 50 0 JGAAHN O=C(Nc1ccc(N2CCCN(C[C@@H](O)COCc3ccco3)CC2)nc1)c1cc(F)cc(F)c1 ZINC000034682315 569643960 /nfs/dbraw/zinc/64/39/60/569643960.db2.gz JUBXUVVMGLVFNM-JOCHJYFZSA-N 0 3 486.519 3.295 50 0 JGAAHN COc1ccccc1C(=O)Nc1cnc(N2CCNCC2)c(C(=O)N(C)Cc2ccccc2)c1 ZINC000065025415 569650682 /nfs/dbraw/zinc/65/06/82/569650682.db2.gz WAJJEIPTJWBJAS-UHFFFAOYSA-N 0 3 459.550 3.024 50 0 JGAAHN C[C@@H](C(=O)NCCN1CCCCCC1)C1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000065062291 569655821 /nfs/dbraw/zinc/65/58/21/569655821.db2.gz ZYSOLJYOBUFXCZ-MRXNPFEDSA-N 0 3 462.081 3.431 50 0 JGAAHN CN(C)c1nc(N2CCN(C3CCCCC3)CC2)nc2c1CN(C(=O)c1ccc(F)cc1)CC2 ZINC000034756123 569656294 /nfs/dbraw/zinc/65/62/94/569656294.db2.gz GFCNZZHAZDPDJV-UHFFFAOYSA-N 0 3 466.605 3.335 50 0 JGAAHN CCOC(=O)CCC(=O)N1CCN(C(=O)CCN2CCc3sccc3[C@H]2c2ccccc2C)CC1 ZINC000034830225 569663653 /nfs/dbraw/zinc/66/36/53/569663653.db2.gz SROVHWHDERJNJF-HHHXNRCGSA-N 0 3 497.661 3.408 50 0 JGAAHN CN(C)CCNC(=O)c1ccc(CN2c3cc(-c4cccc(Cl)c4)nn3CCC2=O)cc1 ZINC000035373773 569683832 /nfs/dbraw/zinc/68/38/32/569683832.db2.gz CFEDGXKVUKAONR-UHFFFAOYSA-N 0 3 451.958 3.432 50 0 JGAAHN CCOC(=O)C1=C(CN2CCN(C3CCCCC3)CC2)NC(=O)N[C@@H]1c1ccc(OCC)cc1 ZINC000067287700 569684738 /nfs/dbraw/zinc/68/47/38/569684738.db2.gz WZUJILVFTDTLPF-XMMPIXPASA-N 0 3 470.614 3.207 50 0 JGAAHN Cc1onc(-c2ccccc2Cl)c1C(=O)N1CCN(c2cc(N3CCN(C)CC3)nc(C)n2)CC1 ZINC000067604342 569688775 /nfs/dbraw/zinc/68/87/75/569688775.db2.gz YUKMZPPDWQWVIH-UHFFFAOYSA-N 0 3 496.015 3.116 50 0 JGAAHN Cc1[nH]c(C(=O)N2CCC[C@H](C(=O)NCCN3CCCC[C@@H]3C)C2)c(C)c1C(=O)OC(C)C ZINC000035422161 569692498 /nfs/dbraw/zinc/69/24/98/569692498.db2.gz XPKYBQZPVYIRKZ-PXNSSMCTSA-N 0 3 460.619 3.040 50 0 JGAAHN CN(CCNC(=O)c1ccc(Cn2c(=O)c3cccn3c3cccnc32)o1)Cc1ccccc1 ZINC000035423392 569692958 /nfs/dbraw/zinc/69/29/58/569692958.db2.gz VSCSHZZWNCWOPC-UHFFFAOYSA-N 0 3 455.518 3.152 50 0 JGAAHN CCCCn1c2nnc(CCC(=O)N3CCN(C4CCCCC4)CC3)n2c2ccsc2c1=O ZINC000035528761 569700041 /nfs/dbraw/zinc/70/00/41/569700041.db2.gz USQJWFHWBMFKAK-UHFFFAOYSA-N 0 3 470.643 3.315 50 0 JGAAHN COc1cc(Cl)cc([C@H](C)Nc2cc(N3CCNCC3)ccc2S(C)(=O)=O)c1OC ZINC000072284488 569701823 /nfs/dbraw/zinc/70/18/23/569701823.db2.gz BSLXKMCHXRCBIH-AWEZNQCLSA-N 0 3 453.992 3.343 50 0 investigational JGAAHN CN1CCN(CCNC(=O)C2CCN(Cc3cc4ccccc4n3Cc3cccc(F)c3)CC2)CC1 ZINC000035561578 569704549 /nfs/dbraw/zinc/70/45/49/569704549.db2.gz CBMMMZIAIOQLTC-UHFFFAOYSA-N 0 3 491.655 3.404 50 0 JGAAHN Cc1[nH]c(C(=O)N2CCC[C@@H](C(=O)NCCN3CCCCCC3)C2)c(C)c1C(=O)OC(C)C ZINC000085621564 569711372 /nfs/dbraw/zinc/71/13/72/569711372.db2.gz SXMWNOGHPAVWBF-HXUWFJFHSA-N 0 3 460.619 3.041 50 0 JGAAHN CCOC(=O)c1c(C)[nH]c(CCC(=O)NCCCN2CCN(Cc3ccccc3)CC2)c1C ZINC000085698060 569714925 /nfs/dbraw/zinc/71/49/25/569714925.db2.gz NMWSUQXIXYMYFR-UHFFFAOYSA-N 0 3 454.615 3.065 50 0 JGAAHN CN(C)CCNC(=O)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CCN(Cc3ccccc3)C[C@H]12 ZINC000035871208 569718410 /nfs/dbraw/zinc/71/84/10/569718410.db2.gz PHUHFXIIKSROFJ-JTHBVZDNSA-N 0 3 460.544 3.246 50 0 JGAAHN O=C1C[C@@H](NCCCN2CCN(c3cccc(Cl)c3)CC2)C(=O)N1c1ccc(Cl)cc1 ZINC000095483177 569725171 /nfs/dbraw/zinc/72/51/71/569725171.db2.gz ZZKBZEKMCOFYAP-OAQYLSRUSA-N 0 3 461.393 3.427 50 0 JGAAHN COc1ccc2c(c1)N1CCN(c3ccc(C)cc3)C[C@H]1[C@@H](C(=O)NCCN1CCCCC1)C2 ZINC000035911169 569726386 /nfs/dbraw/zinc/72/63/86/569726386.db2.gz GXNDPRDZNOJOCV-BDYUSTAISA-N 0 3 462.638 3.473 50 0 JGAAHN O=C1C[C@@H](N2CCC(N3CCN(c4ccc(F)cc4)CC3)CC2)C(=O)N1c1ccc(Cl)cc1 ZINC000100191399 569755038 /nfs/dbraw/zinc/75/50/38/569755038.db2.gz MAVOSKMDXGDCBF-HSZRJFAPSA-N 0 3 470.976 3.398 50 0 JGAAHN CCN1CCC[C@@H]1CNC(=O)[C@H](NC(=O)c1ccc2nc(-n3cccc3)sc2c1)C(C)C ZINC000036593231 569777218 /nfs/dbraw/zinc/77/72/18/569777218.db2.gz KLJUFHBTLRMBAE-WIYYLYMNSA-N 0 3 453.612 3.442 50 0 JGAAHN Cc1ccc(OCC(=O)c2ccc3c(c2)N([C@@H](C)C(=O)NCCN2CCCCC2)C(=O)CO3)c(C)c1 ZINC000037511075 569791478 /nfs/dbraw/zinc/79/14/78/569791478.db2.gz NHZIHDRKHHONBW-NRFANRHFSA-N 0 3 493.604 3.281 50 0 JGAAHN CCCN(CCC)CCNS(=O)(=O)c1cc2c(cc1Br)CCN2C(=O)C1CC1 ZINC000040450535 569828542 /nfs/dbraw/zinc/82/85/42/569828542.db2.gz LCEJRRPDVXPJAZ-UHFFFAOYSA-N 0 3 472.449 3.149 50 0 JGAAHN CN(C(=O)c1ccccc1N1CCC(NC(=O)c2ccccc2F)CC1)C1CCN(C)CC1 ZINC000037525502 569793574 /nfs/dbraw/zinc/79/35/74/569793574.db2.gz AMFGADLOWBBWNH-UHFFFAOYSA-N 0 3 452.574 3.391 50 0 JGAAHN COC(=O)c1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(O)c(OC)c4)[C@@H]3C2=O)cc1 ZINC000102713506 569817034 /nfs/dbraw/zinc/81/70/34/569817034.db2.gz WASNZCDMELQKKI-RJGXRXQPSA-N 0 3 474.469 3.239 50 0 JGAAHN CC(C)(C)[C@@H](CN1CCc2ccccc2C1)NC(=O)NCc1ccc(N2CCOCC2)nc1 ZINC000040150039 569819513 /nfs/dbraw/zinc/81/95/13/569819513.db2.gz WYTGLHSWJZJUCB-HSZRJFAPSA-N 0 3 451.615 3.190 50 0 JGAAHN CCC1=C(C(=O)OC)[C@H](c2ccccc2)N2C(CC(=O)NC3CCN(C)CC3)=CSC2=N1 ZINC000102940750 569829466 /nfs/dbraw/zinc/82/94/66/569829466.db2.gz WLEJTHWQNWKXPY-QFIPXVFZSA-N 0 3 454.596 3.425 50 0 JGAAHN CCOC(=O)C1=C(C)N=C2SC=C(CC(=O)N3CCCN(C)CC3)N2[C@@H]1c1cccc(OC)c1 ZINC000103052713 569832342 /nfs/dbraw/zinc/83/23/42/569832342.db2.gz KMWNJJJGJMQHOI-HSZRJFAPSA-N 0 3 484.622 3.387 50 0 JGAAHN COCCOC(=O)C1=C(C)N=C2SC=C(CC(=O)NCCN(C)C)N2[C@H]1c1cc(C)ccc1C ZINC000103408673 569834911 /nfs/dbraw/zinc/83/49/11/569834911.db2.gz UGOBBXJUHXCFDF-QHCPKHFHSA-N 0 3 486.638 3.136 50 0 JGAAHN O=C1N[C@@]2(CCCN(Cc3ccccc3)C2)C(=O)N1CN1CCN(c2cccc(Cl)c2)CC1 ZINC000048324296 569845798 /nfs/dbraw/zinc/84/57/98/569845798.db2.gz JQEWHYHALUOIOL-RUZDIDTESA-N 0 3 468.001 3.006 50 0 JGAAHN CN(C(=O)[C@H]1CC(=O)N(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1)[C@@H]1CCN(C)C1 ZINC000169679913 569870040 /nfs/dbraw/zinc/87/00/40/569870040.db2.gz QZYLIHNTZYPEFM-XJKSGUPXSA-N 0 3 451.411 3.235 50 0 JGAAHN COc1ccc(Cl)cc1C(=O)N1CCC[C@H]1C(=O)Nc1ccc(CN2CCC[C@@H](C(N)=O)C2)cc1 ZINC000195529804 569873508 /nfs/dbraw/zinc/87/35/08/569873508.db2.gz BYGOUZZXMQCPLO-GCJKJVERSA-N 0 3 499.011 3.289 50 0 JGAAHN CN1CCN(CCCNC(=O)c2ccc(NC(=O)c3ccccn3)cc2)[C@@H](c2ccccc2)C1 ZINC000229519341 570040660 /nfs/dbraw/zinc/04/06/60/570040660.db2.gz YCPXGTIXIZSLRV-RUZDIDTESA-N 0 3 457.578 3.443 50 0 JGAAHN CC1=NN(c2ccc(Cl)cc2)C(=O)[C@@]12Cc1ccc(Cl)cc1N1CCN(CCO)C[C@H]12 ZINC000248010667 570072766 /nfs/dbraw/zinc/07/27/66/570072766.db2.gz IURWXMLRTACEJY-GMAHTHKFSA-N 0 3 459.377 3.442 50 0 JGAAHN CC(C)[C@H](NC(=O)c1ccccc1Cl)C(=O)N1CCC(CN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000248206254 570076260 /nfs/dbraw/zinc/07/62/60/570076260.db2.gz BDSGMXLTBQKKPZ-HMFYCAOWSA-N 0 3 450.023 3.442 50 0 JGAAHN CCN1CCN(C(=O)[C@@H]2CCCN(Cc3nc4ccccc4n3Cc3ccc(OC)cc3)C2)CC1 ZINC000249687624 570078554 /nfs/dbraw/zinc/07/85/54/570078554.db2.gz HLOSUXMAQVEHJI-HSZRJFAPSA-N 0 3 475.637 3.469 50 0 JGAAHN COc1cc(CNC(=O)CC[C@H]2CN(Cc3ccccc3)CC[C@H]2N2CCN(C)CC2)cc(OC)c1 ZINC000299765028 570175035 /nfs/dbraw/zinc/17/50/35/570175035.db2.gz ZCUVCEXTSUJUES-LBNVMWSVSA-N 0 3 494.680 3.238 50 0 JGAAHN O=C(NCCN1CC[C@H](c2ccccc2)C1)c1ccc(-n2cc(NC(=O)C3CCOCC3)cn2)cc1 ZINC000299771623 570175780 /nfs/dbraw/zinc/17/57/80/570175780.db2.gz UYYLHCMTTKWKME-DEOSSOPVSA-N 0 3 487.604 3.457 50 0 JGAAHN COc1ccccc1N1CCN([C@@H]2CCN(Cc3ccccn3)C[C@@H]2CCC(=O)NC(C)C)CC1 ZINC000299773384 570175992 /nfs/dbraw/zinc/17/59/92/570175992.db2.gz GMTWWHUCFNEKTF-UKILVPOCSA-N 0 3 479.669 3.408 50 0 JGAAHN CCN1CCN(C(=O)c2ccc(N3CCC(NCc4nc5cc(F)ccc5[nH]4)CC3)cc2)CC1 ZINC000299785136 570176660 /nfs/dbraw/zinc/17/66/60/570176660.db2.gz JLPBQSTWKKTMBX-UHFFFAOYSA-N 0 3 464.589 3.238 50 0 JGAAHN COc1cc(C[C@@]2(CCC(=O)NCCN3CC[C@H](c4ccccc4)C3)CCC(=O)N2)ccc1F ZINC000299801461 570177556 /nfs/dbraw/zinc/17/75/56/570177556.db2.gz YTPGZOHJEVAESC-WXVAWEFUSA-N 0 3 467.585 3.412 50 0 JGAAHN