smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCN1CCN(CCCNC(=O)c2ccc(CC3CCN(C(C)=O)CC3)cc2)CC1 ZINC000581806209 1078782122 /nfs/dbraw/zinc/78/21/22/1078782122.db2.gz WDGNBHSFFHPHAF-UHFFFAOYSA-N 0 3 414.594 2.245 50 0 HEAAHN CCN1CCN(c2ccc(NC(=O)CCc3c(C)nc4ncnn4c3C)cc2)CC1 ZINC000004884749 132291543 /nfs/dbraw/zinc/29/15/43/132291543.db2.gz UCYWKMARXIFEMA-UHFFFAOYSA-N 0 3 407.522 2.454 50 0 HEAAHN Cc1cccc(N2CCCn3c4c(nc32)n(C)c(=O)n(CCN2CCCCC2)c4=O)c1 ZINC000006276223 132310117 /nfs/dbraw/zinc/31/01/17/132310117.db2.gz NMGSCRANPUSVRM-UHFFFAOYSA-N 0 3 422.533 2.233 50 0 HEAAHN O[C@H](COc1ccccc1CN1CCN(c2ncccn2)CC1)CN1CCCCC1 ZINC000012575304 132364507 /nfs/dbraw/zinc/36/45/07/132364507.db2.gz CCBFXHAYSPSUJF-NRFANRHFSA-N 0 3 411.550 2.024 50 0 HEAAHN CCCn1c(=O)[nH]c(=O)c2cc(C(=O)NC[C@@H](c3ccc(CC)cc3)N(C)C)cnc21 ZINC000032734774 521614332 /nfs/dbraw/zinc/61/43/32/521614332.db2.gz KYFZRHAYDKPZND-IBGZPJMESA-N 0 3 423.517 2.090 50 0 HEAAHN CC[C@H](CNC(=O)C1CCN(S(=O)(=O)CC)CC1)N1CCc2ccccc2C1 ZINC000032446656 522172619 /nfs/dbraw/zinc/17/26/19/522172619.db2.gz WMZHAQJAOUDGBH-HXUWFJFHSA-N 0 3 407.580 2.001 50 0 HEAAHN Cc1ccc(-c2noc3ncn(CCC(=O)NCCN4CCCCC4)c(=O)c32)cc1 ZINC000032933661 525885999 /nfs/dbraw/zinc/88/59/99/525885999.db2.gz AKGNPLYKVMFCPZ-UHFFFAOYSA-N 0 3 409.490 2.352 50 0 HEAAHN COc1ccccc1[C@@H](C)NCCNC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1 ZINC000005675571 557668161 /nfs/dbraw/zinc/66/81/61/557668161.db2.gz YROJCMMAKHQITO-GFCCVEGCSA-N 0 3 411.911 2.077 50 0 HEAAHN COc1cc(CNCCNC(=O)c2nonc2N)ccc1OCc1ccc(C)cc1 ZINC000008550135 557794834 /nfs/dbraw/zinc/79/48/34/557794834.db2.gz FIRMVMHYXVQXRK-UHFFFAOYSA-N 0 3 411.462 2.067 50 0 HEAAHN O=C(c1cc(C(F)(F)F)ccc1Cl)N1CC[C@@H](N2CCC(O)CC2)[C@H](O)C1 ZINC000012314045 558377536 /nfs/dbraw/zinc/37/75/36/558377536.db2.gz SKKUQRKQSYXLOM-HZPDHXFCSA-N 0 3 406.832 2.391 50 0 HEAAHN Cc1ccc(CN[C@H]2C[C@H]3C(=O)N[C@@H](Cc4c[nH]c5ccccc45)C(=O)N3C2)cc1F ZINC000014531936 558656441 /nfs/dbraw/zinc/65/64/41/558656441.db2.gz USJVLMQQAVWAEX-HSQYWUDLSA-N 0 3 420.488 2.416 50 0 HEAAHN COc1ccc(CN2C(=O)N(CC(C)C)C3(CCN([C@H](C)CO)CC3)C2=O)cc1 ZINC000014541000 558659955 /nfs/dbraw/zinc/65/99/55/558659955.db2.gz VNLSZIWRBKWITJ-QGZVFWFLSA-N 0 3 403.523 2.331 50 0 HEAAHN Cc1ccc(NC(=O)CN(C)[C@H](C)C(C)(C)C)cc1S(=O)(=O)N1CCOCC1 ZINC000027132027 558669877 /nfs/dbraw/zinc/66/98/77/558669877.db2.gz BNFLHDKYATVXAM-MRXNPFEDSA-N 0 3 411.568 2.321 50 0 HEAAHN COc1cc2nc(N(C)C)c(CN(CCN(C)C)C(C)=O)cc2c(OC)c1OC ZINC000015001390 558697947 /nfs/dbraw/zinc/69/79/47/558697947.db2.gz FPORDGDUQVQPIM-UHFFFAOYSA-N 0 3 404.511 2.237 50 0 HEAAHN O[C@H](COc1cccc(CNCc2ccc(F)cc2F)c1)CN1CCC(O)CC1 ZINC000015077477 558717169 /nfs/dbraw/zinc/71/71/69/558717169.db2.gz KOWFBKKCEVLLFO-FQEVSTJZSA-N 0 3 406.473 2.451 50 0 HEAAHN COC(=O)C1=C(N)Oc2cc(C)n(CCN(C)C)c(=O)c2[C@@H]1c1ccccc1Cl ZINC000004570583 558742636 /nfs/dbraw/zinc/74/26/36/558742636.db2.gz KIHKTIYROZJCGW-INIZCTEOSA-N 0 3 417.893 2.239 50 0 HEAAHN Cc1nc(N2CCCC2)cc(N2CCN(S(=O)(=O)c3ccccc3F)CC2)n1 ZINC000015671266 558748322 /nfs/dbraw/zinc/74/83/22/558748322.db2.gz ACGIIGIXJWPVID-UHFFFAOYSA-N 0 3 405.499 2.035 50 0 HEAAHN Cc1nc(N2CCOCC2)cc(N2CCN(C(=O)Nc3ccccc3F)CC2)n1 ZINC000033318543 558766309 /nfs/dbraw/zinc/76/63/09/558766309.db2.gz UBPINGSVCSKEEX-UHFFFAOYSA-N 0 3 400.458 2.115 50 0 HEAAHN Cc1cccc2c1ncn(CC(=O)N1CCC(CN3C[C@@H](C)O[C@@H](C)C3)CC1)c2=O ZINC000058227333 558913670 /nfs/dbraw/zinc/91/36/70/558913670.db2.gz KYNSSMPCAJMAEK-HDICACEKSA-N 0 3 412.534 2.053 50 0 HEAAHN C[C@@H]1CCCCN1CCNC(=O)CC1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000033254513 558918375 /nfs/dbraw/zinc/91/83/75/558918375.db2.gz GHADYKVDXMDJHJ-GOSISDBHSA-N 0 3 407.580 2.468 50 0 HEAAHN CN1C(=O)N(CC(=O)NC2CCN(Cc3ccccc3)CC2)C(=O)C12CCCCC2 ZINC000072400379 558934564 /nfs/dbraw/zinc/93/45/64/558934564.db2.gz VNYHCHNKKGHWLK-UHFFFAOYSA-N 0 3 412.534 2.364 50 0 HEAAHN CN(Cc1ccc(C(=O)NCc2ccc3c(c2)OCO3)c(=O)[nH]1)C1CCSCC1 ZINC000077421522 559004591 /nfs/dbraw/zinc/00/45/91/559004591.db2.gz WSJRVTLJIDWNOT-UHFFFAOYSA-N 0 3 415.515 2.361 50 0 HEAAHN Cc1ccc(S(=O)(=O)[N-]c2ccc(N3CC[NH2+]CC3)c(C(=O)NC(C)C)c2)cc1 ZINC000033275404 559035114 /nfs/dbraw/zinc/03/51/14/559035114.db2.gz VFRMALNLNSVKQY-UHFFFAOYSA-N 0 3 416.547 2.344 50 0 HEAAHN CC(C)Oc1cccc(C(=O)N2CC[C@H](N3CCN(C)CC3)[C@H](CCCO)C2)c1 ZINC000095370965 559080248 /nfs/dbraw/zinc/08/02/48/559080248.db2.gz KBRBCPRNZTYUDF-IRLDBZIGSA-N 0 3 403.567 2.324 50 0 HEAAHN Nc1[nH]nc2nc(NCCCN3CCOCC3)c3c(c12)CCN(C1CCCCC1)C3 ZINC000005207535 568417450 /nfs/dbraw/zinc/41/74/50/568417450.db2.gz PWCDGKBXNNCEJA-UHFFFAOYSA-N 0 3 413.570 2.365 50 0 HEAAHN O=C(Nc1ccc(N2CCNC(=O)C2)cc1)NC1CCN(Cc2ccccc2)CC1 ZINC000048332970 568439344 /nfs/dbraw/zinc/43/93/44/568439344.db2.gz HAXLPDONYGUXDJ-UHFFFAOYSA-N 0 3 407.518 2.409 50 0 HEAAHN COc1ccccc1NC(=O)C1CC(=O)Nc2c1c(=O)[nH]c(=O)n2CCC(C)C ZINC000049551150 568452026 /nfs/dbraw/zinc/45/20/26/568452026.db2.gz OONUKKZMRXKWFR-LBPRGKRZSA-N 0 3 400.435 2.305 50 0 HEAAHN O=C(Nc1ccccc1F)C1CC(=O)Nc2c1c(=O)[nH]c(=O)n2Cc1ccccc1 ZINC000049551866 568452088 /nfs/dbraw/zinc/45/20/88/568452088.db2.gz CHIACXMMTZZTFB-CYBMUJFWSA-N 0 3 408.389 2.438 50 0 HEAAHN CCN1CCC(NC(=O)c2ccc(S(=O)(=O)NCCc3cccs3)cc2)CC1 ZINC000024747084 568461025 /nfs/dbraw/zinc/46/10/25/568461025.db2.gz NSHJUQLHJGUUOS-UHFFFAOYSA-N 0 3 421.588 2.483 50 0 HEAAHN COCCC(=O)N1CCC(Oc2ccc(C(=O)NCCN(C)C)cc2Cl)CC1 ZINC000014963650 568487754 /nfs/dbraw/zinc/48/77/54/568487754.db2.gz AKHXDYDZIPWOEF-UHFFFAOYSA-N 0 3 411.930 2.038 50 0 HEAAHN Cc1ccc(C(=O)N2CCC[C@H](C(=O)NC(C)(C)CCN3CCN(C)CC3)C2)cc1 ZINC000225393527 568633639 /nfs/dbraw/zinc/63/36/39/568633639.db2.gz WGLNHJOLUZBBJB-NRFANRHFSA-N 0 3 414.594 2.380 50 0 HEAAHN CN(C)Cc1ccc(N2CCN(C(=O)c3cccnc3OCC(F)(F)F)CC2)nc1 ZINC000095959737 568669845 /nfs/dbraw/zinc/66/98/45/568669845.db2.gz AWGCJICETLNJCV-UHFFFAOYSA-N 0 3 423.439 2.442 50 0 HEAAHN Cc1nn(CC(=O)NCCN2CCCCC2)c(=O)c2nc(-c3ccccc3)sc21 ZINC000096400182 568749440 /nfs/dbraw/zinc/74/94/40/568749440.db2.gz LDUGSKKGSDKXCZ-UHFFFAOYSA-N 0 3 411.531 2.431 50 0 HEAAHN C[C@H]1CCCCN1C(=O)C[C@@]1(c2cccc(F)c2)CC(=O)N(CCN(C)C)C1=O ZINC000299769488 568874205 /nfs/dbraw/zinc/87/42/05/568874205.db2.gz RXLFVMSNABCDAN-AOMKIAJQSA-N 0 3 403.498 2.175 50 0 HEAAHN O=C1C[C@@H](CN2CCc3nnc(Cc4cccnc4)n3CC2)CN1c1ccccc1 ZINC000299772810 568874443 /nfs/dbraw/zinc/87/44/43/568874443.db2.gz AFOCWNSHVQOZKN-IBGZPJMESA-N 0 3 402.502 2.175 50 0 HEAAHN O=C(Cn1cc(C(=O)C(=O)NCCCN2CCCC2)c2ccccc21)N1CCCCC1 ZINC000004272376 568957340 /nfs/dbraw/zinc/95/73/40/568957340.db2.gz NLZWMLXDFXZWKU-UHFFFAOYSA-N 0 3 424.545 2.439 50 0 HEAAHN COc1ccc([C@H](CNC(=O)Cc2nn(C)c(=O)c3ccccc23)N2CCCC2)cc1 ZINC000008231443 568984158 /nfs/dbraw/zinc/98/41/58/568984158.db2.gz RUELDHFXRJYVOV-QFIPXVFZSA-N 0 3 420.513 2.438 50 0 HEAAHN CCN1CCC(NC(=O)C2CCN(S(=O)(=O)c3ccc(C)c(C)c3)CC2)CC1 ZINC000012918907 569022726 /nfs/dbraw/zinc/02/27/26/569022726.db2.gz ZXVNYQCFGKUASP-UHFFFAOYSA-N 0 3 407.580 2.305 50 0 HEAAHN C[C@@H]1CN(c2ccc(NC(=O)N3C[C@@H](N4CCCC4)[C@@H](O)C3)cc2F)C[C@H](C)O1 ZINC000241701742 569054871 /nfs/dbraw/zinc/05/48/71/569054871.db2.gz QKVXCZMZKRMMMU-ITKAJJHTSA-N 0 3 406.502 2.112 50 0 HEAAHN O=C(CN1CC[C@@H]2CCCC[C@@H]2C1)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000006580020 569066839 /nfs/dbraw/zinc/06/68/39/569066839.db2.gz YENCCWUXGFEIHT-RBUKOAKNSA-N 0 3 405.564 2.032 50 0 HEAAHN Cc1ccc(C)n1-c1nnc(N2CCC[C@H](C(=O)NCCN3CCCC3)C2)s1 ZINC000006806202 569130856 /nfs/dbraw/zinc/13/08/56/569130856.db2.gz MKVDJBFTCJQLNB-KRWDZBQOSA-N 0 3 402.568 2.374 50 0 HEAAHN Cc1c2cnn(CC(=O)NCCN(C)C)c(=O)c2c(C)n1Cc1cccc(Cl)c1 ZINC000006808016 569132334 /nfs/dbraw/zinc/13/23/34/569132334.db2.gz YRFUIUSBVUGJPM-UHFFFAOYSA-N 0 3 415.925 2.194 50 0 HEAAHN Cc1c2cnn(CC(=O)NCCN(C)C)c(=O)c2c(C)n1Cc1ccccc1Cl ZINC000006808003 569132366 /nfs/dbraw/zinc/13/23/66/569132366.db2.gz UPAIGBOKINGABT-UHFFFAOYSA-N 0 3 415.925 2.194 50 0 HEAAHN CN(CC(=O)N1CCN(S(=O)(=O)c2ccccc2Cl)CC1)C1CCCCC1 ZINC000007340379 569234063 /nfs/dbraw/zinc/23/40/63/569234063.db2.gz CHBHHTJSFKGNDP-UHFFFAOYSA-N 0 3 413.971 2.437 50 0 HEAAHN C[C@@H]1CCCN1C(=O)CCN1CCCC[C@H]1CNC(=O)CCNC(=O)OC(C)(C)C ZINC000252587539 569294875 /nfs/dbraw/zinc/29/48/75/569294875.db2.gz YZNYCCKMSMJLHZ-MSOLQXFVSA-N 0 3 424.586 2.273 50 0 HEAAHN CCCNC(=O)N1CCC2(CC1)C[C@H](N1CCN(c3ccccn3)CC1)CCO2 ZINC000581820200 569321068 /nfs/dbraw/zinc/32/10/68/569321068.db2.gz XLULRFCJKMWXHU-LJQANCHMSA-N 0 3 401.555 2.337 50 0 HEAAHN O=C(N[C@H]1CCN(Cc2ccccc2)C1)[C@@H](Cc1c[nH]cn1)NC(=O)C1CCCCC1 ZINC000253404727 569365855 /nfs/dbraw/zinc/36/58/55/569365855.db2.gz DOCVFDBFTJOYLG-RBBKRZOGSA-N 0 3 423.561 2.408 50 0 HEAAHN O=C(N[C@H]1CCN(Cc2ccccc2)C1)[C@@H](Cc1cnc[nH]1)NC(=O)C1CCCCC1 ZINC000253404727 569365856 /nfs/dbraw/zinc/36/58/56/569365856.db2.gz DOCVFDBFTJOYLG-RBBKRZOGSA-N 0 3 423.561 2.408 50 0 HEAAHN CCOC(=O)C1C(CN2CCC(C)CC2)=NC(=O)N[C@H]1c1ccc2c(c1)OCO2 ZINC000054979057 569372871 /nfs/dbraw/zinc/37/28/71/569372871.db2.gz NRCBVDHSKSENFU-IBGZPJMESA-N 0 3 401.463 2.318 50 0 HEAAHN CCOC(=O)C1=C(CN2CCCN(C)CC2)NC(=O)N[C@@H]1c1ccccc1Cl ZINC000067287344 571065263 /nfs/dbraw/zinc/06/52/63/571065263.db2.gz UYIMEBOAOBOGHN-GOSISDBHSA-N 0 3 406.914 2.149 50 0 HEAAHN Cc1cc(NC(=O)CSCC(=O)N(CCc2ccccc2)CCN(C)C)no1 ZINC000040121238 571177220 /nfs/dbraw/zinc/17/72/20/571177220.db2.gz FDBBZQKIGZDGBM-UHFFFAOYSA-N 0 3 404.536 2.288 50 0 HEAAHN COc1cc(C(=O)Nc2ccccc2C(=O)NCCN(C)C)cc(OC)c1OC ZINC000010312697 571300069 /nfs/dbraw/zinc/30/00/69/571300069.db2.gz RLGAPDOFXMDMAF-UHFFFAOYSA-N 0 3 401.463 2.256 50 0 HEAAHN CN1CCN(CCCNC(=O)[C@H]2CCCN(c3nccc4sccc43)C2)CC1 ZINC000033174361 571315854 /nfs/dbraw/zinc/31/58/54/571315854.db2.gz LNDFXZBWRPZMPS-KRWDZBQOSA-N 0 3 401.580 2.266 50 0 HEAAHN Cc1cc(CN2CCC(Cc3ccc(CCNS(C)(=O)=O)cc3)CC2)n(C)n1 ZINC000581813228 1078779380 /nfs/dbraw/zinc/77/93/80/1078779380.db2.gz MKWCTUDGJRMNLA-UHFFFAOYSA-N 0 3 404.580 2.275 50 0 HEAAHN O=C(c1ccc(Cl)c(S(=O)(=O)NC2CC2)c1)N1CCN(c2ccncc2)CC1 ZINC000008122633 132327497 /nfs/dbraw/zinc/32/74/97/132327497.db2.gz VWUDZMZYORGQGZ-UHFFFAOYSA-N 0 3 420.922 2.138 50 0 HEAAHN O[C@@H]1CN(C2CSCCSC2)CC[C@H]1N1CCN(c2ccccc2F)CC1 ZINC000012438707 132360119 /nfs/dbraw/zinc/36/01/19/132360119.db2.gz ADEXLBWPFIJMCJ-WOJBJXKFSA-N 0 3 411.612 2.232 50 0 HEAAHN CCCN1CCN([C@H]2CCc3c(c(C(=O)NCc4ccccc4F)nn3C)C2)CC1 ZINC000023310379 519860019 /nfs/dbraw/zinc/86/00/19/519860019.db2.gz CVVXKGSSDZJBKS-SFHVURJKSA-N 0 3 413.541 2.374 50 0 HEAAHN C[C@@H]1NC(C(=O)NC2CCN(Cc3ccccc3)CC2)=NN(c2ccccc2)C1=O ZINC000032655462 525551312 /nfs/dbraw/zinc/55/13/12/525551312.db2.gz PROZCSZSWXDMTO-KRWDZBQOSA-N 0 3 405.502 2.106 50 0 HEAAHN CC(C)CNc1nc(OC(C(F)(F)F)C(F)(F)F)nc(N2CCNCC2)n1 ZINC000004676177 535171408 /nfs/dbraw/zinc/17/14/08/535171408.db2.gz IAJVOBNXFIHPLP-UHFFFAOYSA-N 0 3 402.343 2.221 50 0 HEAAHN CN(C)CCNC(=O)c1csc(CN2CCN(c3ccccc3Cl)CC2)n1 ZINC000034685295 557388253 /nfs/dbraw/zinc/38/82/53/557388253.db2.gz BRBOVMOWSJYEEM-UHFFFAOYSA-N 0 3 407.971 2.410 50 0 HEAAHN CC(C)(C)c1ccc(C(=O)NCCC(=O)N2CCC3(CC2)NCCc2nc[nH]c23)cc1 ZINC000008739482 557803461 /nfs/dbraw/zinc/80/34/61/557803461.db2.gz NLSDEMZBKFHSET-UHFFFAOYSA-N 0 3 423.561 2.491 50 0 HEAAHN Cc1cccn2c(CNCC(C)(C)N3CCOCC3)c(C(=O)N3CCCCC3)nc12 ZINC000019759033 558275624 /nfs/dbraw/zinc/27/56/24/558275624.db2.gz HSIRQDIJWDQRQC-UHFFFAOYSA-N 0 3 413.566 2.469 50 0 HEAAHN COc1ccc(CCN(C)[C@H]2CCCN(C(=O)CCN3CCCO3)C2)cc1OC ZINC000011839108 558285999 /nfs/dbraw/zinc/28/59/99/558285999.db2.gz JIJOMSRUMOUFDJ-IBGZPJMESA-N 0 3 405.539 2.197 50 0 HEAAHN CCN(C[C@@H]1CCCN(CCc2cccc(OC)c2)C1)C(=O)c1ccc(=O)n(C)n1 ZINC000011879084 558293682 /nfs/dbraw/zinc/29/36/82/558293682.db2.gz MAMZFPMAKBCNQB-LJQANCHMSA-N 0 3 412.534 2.206 50 0 HEAAHN CCN(C[C@H]1CCCN(CCc2cccc(OC)c2)C1)C(=O)CN1CCC(O)CC1 ZINC000011879975 558294758 /nfs/dbraw/zinc/29/47/58/558294758.db2.gz BAHRBXSYQLNTBF-NRFANRHFSA-N 0 3 417.594 2.255 50 0 HEAAHN CCN(C[C@H]1CCCN(CCc2cccc(F)c2)C1)C(=O)CN1CCC(O)CC1 ZINC000011996698 558306832 /nfs/dbraw/zinc/30/68/32/558306832.db2.gz UZBTXGNANGUCPF-FQEVSTJZSA-N 0 3 405.558 2.385 50 0 HEAAHN COc1ccc(N2C(=O)C[C@H](NC3CCN(C(=O)c4cccs4)CC3)C2=O)cc1 ZINC000020248948 558351576 /nfs/dbraw/zinc/35/15/76/558351576.db2.gz YSVFEJRCUTXNEO-KRWDZBQOSA-N 0 3 413.499 2.283 50 0 HEAAHN CCN(C[C@@H]1CCCN(CCc2cccc(OC)c2)C1)C(=O)CN1CCCC1=O ZINC000012297737 558367875 /nfs/dbraw/zinc/36/78/75/558367875.db2.gz GNVFGZSUNAYYDC-HXUWFJFHSA-N 0 3 401.551 2.421 50 0 HEAAHN CN(C)CCN(C[C@H]1CCCN(Cc2ccccc2F)C1)C(=O)CN1CCCC1=O ZINC000012443622 558412986 /nfs/dbraw/zinc/41/29/86/558412986.db2.gz NEBKPZKXAJCDBP-IBGZPJMESA-N 0 3 418.557 2.050 50 0 HEAAHN CCN1C[C@H](CN(C)Cc2c[nH]nc2-c2cc(OC)c(OC)c(OC)c2)CC1=O ZINC000012447033 558414633 /nfs/dbraw/zinc/41/46/33/558414633.db2.gz LHZXICLXENKCSU-AWEZNQCLSA-N 0 3 402.495 2.403 50 0 HEAAHN CCN1CCN(c2ccc(NC(=O)C3CCN(S(=O)(=O)CC)CC3)cc2C)CC1 ZINC000021759589 558447962 /nfs/dbraw/zinc/44/79/62/558447962.db2.gz KYEPSJMWALRJLX-UHFFFAOYSA-N 0 3 422.595 2.137 50 0 HEAAHN Cc1nc(N2CCOCC2)cc(N2CCN(C(=O)Nc3cccc(F)c3)CC2)n1 ZINC000021795260 558449540 /nfs/dbraw/zinc/44/95/40/558449540.db2.gz HMBUPGJEAAATDM-UHFFFAOYSA-N 0 3 400.458 2.115 50 0 HEAAHN COC(=O)CCC(=O)N(CCN(C)C)C[C@@H]1CCCN(Cc2ccccc2F)C1 ZINC000012711754 558453090 /nfs/dbraw/zinc/45/30/90/558453090.db2.gz DFSWWIXPHDAAPT-GOSISDBHSA-N 0 3 407.530 2.381 50 0 HEAAHN CC(C)[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)NC1CCN(C2CC2)CC1 ZINC000012799272 558471035 /nfs/dbraw/zinc/47/10/35/558471035.db2.gz KSMFTAYHNRGWJX-GOSISDBHSA-N 0 3 413.971 2.386 50 0 HEAAHN CCOc1cc(CNCCN2CCOCC2)ccc1Oc1nnnn1-c1ccccc1 ZINC000022937073 558527412 /nfs/dbraw/zinc/52/74/12/558527412.db2.gz MOAJRKVOSJTEDA-UHFFFAOYSA-N 0 3 424.505 2.275 50 0 HEAAHN CCN1CCN(C[C@@H](O)COc2ccc(CN3CCCCCC3)cc2OC)CC1 ZINC000023360737 558552139 /nfs/dbraw/zinc/55/21/39/558552139.db2.gz FHKPFJAZNCQADV-OAQYLSRUSA-N 0 3 405.583 2.448 50 0 HEAAHN COc1ccc(CNCc2cccc(F)c2)c(OC[C@@H](O)CN2CCN(C)CC2)c1 ZINC000023375266 558554819 /nfs/dbraw/zinc/55/48/19/558554819.db2.gz ORAZCKQNQYAAAU-NRFANRHFSA-N 0 3 417.525 2.111 50 0 HEAAHN CCN1CCC(NC(=O)[C@H](NS(=O)(=O)c2ccc(Cl)cc2)C(C)C)CC1 ZINC000014197136 558633830 /nfs/dbraw/zinc/63/38/30/558633830.db2.gz XJDQHCMEDRPQPS-QGZVFWFLSA-N 0 3 401.960 2.243 50 0 HEAAHN O=C(NC1CCN(C[C@@H](O)COCc2ccc3c(c2)OCO3)CC1)c1ccccc1 ZINC000025304994 558637248 /nfs/dbraw/zinc/63/72/48/558637248.db2.gz YLNGEKALWJWYIM-HXUWFJFHSA-N 0 3 412.486 2.187 50 0 HEAAHN O=C(NC1CCN(C[C@H](O)COCc2ccc3c(c2)OCO3)CC1)c1ccccc1 ZINC000025304998 558637264 /nfs/dbraw/zinc/63/72/64/558637264.db2.gz YLNGEKALWJWYIM-FQEVSTJZSA-N 0 3 412.486 2.187 50 0 HEAAHN Cc1ccccc1CN[C@H]1C[C@H]2C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)N2C1 ZINC000014742114 558667469 /nfs/dbraw/zinc/66/74/69/558667469.db2.gz HSMDWVLCOOXAJQ-NYVOZVTQSA-N 0 3 402.498 2.277 50 0 HEAAHN COC(=O)c1ccc(CN2CCC3(CC2)C(=O)N(Cc2cccnc2)C(=O)N3C)cc1 ZINC000014745815 558668906 /nfs/dbraw/zinc/66/89/06/558668906.db2.gz NRABENXOWPRTDC-UHFFFAOYSA-N 0 3 422.485 2.297 50 0 HEAAHN NC(=O)COc1ccc(CNC[C@@H](c2ccccc2Cl)N2CCOCC2)cc1 ZINC000027218016 558671116 /nfs/dbraw/zinc/67/11/16/558671116.db2.gz VQMZDRKEJZRWEI-FQEVSTJZSA-N 0 3 403.910 2.367 50 0 HEAAHN COc1cccc([C@@H](CNC(=O)Cn2c3ccccc3n(C)c2=O)N2CCCC2)c1 ZINC000027343118 558672263 /nfs/dbraw/zinc/67/22/63/558672263.db2.gz LBQGCDQNNFLVGA-OAQYLSRUSA-N 0 3 408.502 2.302 50 0 HEAAHN COC(=O)CC[C@H]1CN(Cc2cccc(OC)c2OC)CC[C@H]1N1CCOCC1 ZINC000014883195 558676874 /nfs/dbraw/zinc/67/68/74/558676874.db2.gz HJFQSTSPLYTYDL-PKOBYXMFSA-N 0 3 406.523 2.180 50 0 HEAAHN Cc1nc2ncnn2c(C)c1CCC(=O)N[C@H]1CCCN(CCc2ccccc2)C1 ZINC000014955709 558682509 /nfs/dbraw/zinc/68/25/09/558682509.db2.gz ALHTUPJKXZVCSH-FQEVSTJZSA-N 0 3 406.534 2.497 50 0 HEAAHN O=C(C1CCN(C2CCN(c3nc4ccccc4o3)CC2)CC1)N1CCC[C@@H](O)C1 ZINC000014975174 558688998 /nfs/dbraw/zinc/68/89/98/558688998.db2.gz JPWBULCRVNHFRE-LJQANCHMSA-N 0 3 412.534 2.492 50 0 HEAAHN COc1ccc(/C=C/CN2CCc3nnc(CCNC(=O)c4ccoc4)n3CC2)cc1 ZINC000014981740 558692236 /nfs/dbraw/zinc/69/22/36/558692236.db2.gz DFMUBHBINHCVQC-NSCUHMNNSA-N 0 3 421.501 2.424 50 0 HEAAHN COc1cccc([C@@]2(CC(=O)N3CCCCCC3)CC(=O)N(CCN(C)C)C2=O)c1 ZINC000014987030 558693066 /nfs/dbraw/zinc/69/30/66/558693066.db2.gz MUFQBUTYODLAKA-HSZRJFAPSA-N 0 3 415.534 2.046 50 0 HEAAHN COc1cccc(CN2CCC[C@@](O)(CN3CCN(c4ccccc4)CC3)C2=O)c1 ZINC000015064052 558706675 /nfs/dbraw/zinc/70/66/75/558706675.db2.gz GDTOOVOFJCXQAJ-XMMPIXPASA-N 0 3 409.530 2.371 50 0 HEAAHN Cc1cc(C)cc(C(=O)N(CCC(=O)N2CCNCC2)CCN2CCCC[C@@H]2C)c1 ZINC000035422032 558791736 /nfs/dbraw/zinc/79/17/36/558791736.db2.gz IWBLPBOGBOWJBF-NRFANRHFSA-N 0 3 414.594 2.442 50 0 HEAAHN COCCN1CC[C@H](C(=O)Nc2ccccc2-c2nn3c(C)csc3nc2=O)C1 ZINC000055227543 558876766 /nfs/dbraw/zinc/87/67/66/558876766.db2.gz DDIDTJAGIHVZAB-AWEZNQCLSA-N 0 3 413.503 2.033 50 0 HEAAHN COc1ccc(C[C@H](NC[C@@H](O)CN2CCOCC2)c2ccc(OC)cc2)cc1 ZINC000057993532 558893192 /nfs/dbraw/zinc/89/31/92/558893192.db2.gz YNISYUGGABUNQW-OFNKIYASSA-N 0 3 400.519 2.270 50 0 HEAAHN CCCn1c(=O)[n-]c(=O)c2c(C(=O)NC[C@@H]3CC[N@@H+](C(C)C)C3)cc(C(C)C)nc21 ZINC000058049047 558896717 /nfs/dbraw/zinc/89/67/17/558896717.db2.gz OCVYDRCJJJVZPA-HNNXBMFYSA-N 0 3 415.538 2.078 50 0 HEAAHN CCCn1c(=O)[n-]c(=O)c2c(C(=O)NC[C@@H]3CC[N@H+](C(C)C)C3)cc(C(C)C)nc21 ZINC000058049047 558896718 /nfs/dbraw/zinc/89/67/18/558896718.db2.gz OCVYDRCJJJVZPA-HNNXBMFYSA-N 0 3 415.538 2.078 50 0 HEAAHN COc1ccc(C2=NN(CC(=O)NCCN3[C@@H](C)CCC[C@@H]3C)C(=O)CC2)cc1 ZINC000004712522 558917818 /nfs/dbraw/zinc/91/78/18/558917818.db2.gz ZCXVXWVTJZRFLG-IRXDYDNUSA-N 0 3 400.523 2.401 50 0 HEAAHN CCc1ccc(C(=O)N2CCN(c3cc(N4CCN(C)CC4)nc(C)n3)CC2)cc1 ZINC000072140609 558929105 /nfs/dbraw/zinc/92/91/05/558929105.db2.gz PFRJLDBXRBQCLY-UHFFFAOYSA-N 0 3 408.550 2.062 50 0 HEAAHN Cc1nc(N2CCCCC2)cc(N2CCN(S(=O)(=O)c3cccs3)CC2)n1 ZINC000065362174 558972834 /nfs/dbraw/zinc/97/28/34/558972834.db2.gz HVTVRCUSNMXPBD-UHFFFAOYSA-N 0 3 407.565 2.348 50 0 HEAAHN Cc1nc(NCCNC(=O)c2ccccc2C(F)(F)F)cc(N2CCOCC2)n1 ZINC000065363955 558974904 /nfs/dbraw/zinc/97/49/04/558974904.db2.gz FOZRZTDVJYYRJH-UHFFFAOYSA-N 0 3 409.412 2.482 50 0 HEAAHN CCN(CC)S(=O)(=O)c1ccc2c(cc(C(=O)NC[C@H]3CCCN3CC)n2C)c1 ZINC000021943269 558979530 /nfs/dbraw/zinc/97/95/30/558979530.db2.gz WOGWXWKSAZBGTM-QGZVFWFLSA-N 0 3 420.579 2.423 50 0 HEAAHN COc1ccc(S(=O)(=O)N(C)c2cccc(C(=O)NC3CCN(C)CC3)c2)cc1 ZINC000067338925 558986252 /nfs/dbraw/zinc/98/62/52/558986252.db2.gz WHQJSVFHHFBCAN-UHFFFAOYSA-N 0 3 417.531 2.344 50 0 HEAAHN COc1ccc(N(CCCC(=O)NC2CCN(C)CC2)S(C)(=O)=O)cc1Cl ZINC000067604217 558988465 /nfs/dbraw/zinc/98/84/65/558988465.db2.gz QZODLQIKGGTGDJ-UHFFFAOYSA-N 0 3 417.959 2.105 50 0 HEAAHN CC(C)C[C@H]([N-]S(=O)(=O)c1cc2ccccc2o1)c1nnc2n1CC[NH2+]CC2 ZINC000067774364 558992888 /nfs/dbraw/zinc/99/28/88/558992888.db2.gz YLZHFZMWXSITPZ-HNNXBMFYSA-N 0 3 403.508 2.236 50 0 HEAAHN CC(C)C[C@@]1(C(=O)[O-])C[C@H](C(=O)NC2CCN(C)CC2)[C@H](c2cccnc2)[N@@H+]1C ZINC000067880455 558994420 /nfs/dbraw/zinc/99/44/20/558994420.db2.gz GYZCEVLOTVLNSO-IPJJNNNSSA-N 0 3 402.539 2.154 50 0 HEAAHN CC(C)C[C@@]1(C(=O)[O-])C[C@H](C(=O)NC2CCN(C)CC2)[C@H](c2cccnc2)[N@H+]1C ZINC000067880455 558994421 /nfs/dbraw/zinc/99/44/21/558994421.db2.gz GYZCEVLOTVLNSO-IPJJNNNSSA-N 0 3 402.539 2.154 50 0 HEAAHN CCN1CCCN(C(=O)[C@H]2[C@H]3C(=O)N(Cc4ccc(C)c(C)c4)C[C@@]34C=C[C@@H]2O4)CC1 ZINC000077375478 559002589 /nfs/dbraw/zinc/00/25/89/559002589.db2.gz LYGNIDUYNAQGKK-MTQWNXOMSA-N 0 3 423.557 2.140 50 0 HEAAHN CCNC(=O)c1cc([N-]S(=O)(=O)c2cc(C)ccc2C)ccc1N1CC[NH2+]CC1 ZINC000033275413 559035182 /nfs/dbraw/zinc/03/51/82/559035182.db2.gz FSGRHQRBGAONCQ-UHFFFAOYSA-N 0 3 416.547 2.264 50 0 HEAAHN O=c1cc(CN2CC[C@H](N3CCOCC3)[C@H](CCCO)C2)[nH]c2c(F)cccc12 ZINC000091713124 559073179 /nfs/dbraw/zinc/07/31/79/559073179.db2.gz YPYQTUHJILYVAI-UZLBHIALSA-N 0 3 403.498 2.375 50 0 HEAAHN COc1ccc(CN(C)Cc2cnn(C)c2)cc1OC[C@H](O)CN1CCCCC1 ZINC000095510912 559083842 /nfs/dbraw/zinc/08/38/42/559083842.db2.gz OOMXETGNNJSSNB-HXUWFJFHSA-N 0 3 402.539 2.286 50 0 HEAAHN O=C(CNC1CCCCC1)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl ZINC000004962169 559218108 /nfs/dbraw/zinc/21/81/08/559218108.db2.gz WOWJVSAAALBJHO-UHFFFAOYSA-N 0 3 415.943 2.222 50 0 HEAAHN C[C@@H]1CN(C(=O)c2ccc(CNC(=O)NCCN3CCCCC3)cc2)C[C@@H](C)O1 ZINC000063306363 559276451 /nfs/dbraw/zinc/27/64/51/559276451.db2.gz WYYAFKUQFHKHMB-QZTJIDSGSA-N 0 3 402.539 2.221 50 0 HEAAHN CN(C)c1cc(N2CCN(S(=O)(=O)c3ccc(C(F)(F)F)cc3)CC2)cnn1 ZINC000206724650 560735397 /nfs/dbraw/zinc/73/53/97/560735397.db2.gz PEIJQNWJGRIVAG-UHFFFAOYSA-N 0 3 415.441 2.072 50 0 HEAAHN CC1(C)CC(NC(=O)Cn2ccc3c2cccc3[N-]S(C)(=O)=O)CC(C)(C)[NH2+]1 ZINC000218345450 568478881 /nfs/dbraw/zinc/47/88/81/568478881.db2.gz XOLKXYAAXIKITC-UHFFFAOYSA-N 0 3 406.552 2.438 50 0 HEAAHN CN(C)[C@H](CNC(=O)CN1CC(OC(=O)Nc2cccc(F)c2)C1)c1ccccc1 ZINC000225618048 568657595 /nfs/dbraw/zinc/65/75/95/568657595.db2.gz RLFDMXTYJQLGEW-HXUWFJFHSA-N 0 3 414.481 2.478 50 0 HEAAHN Cn1cc(-n2cc(C(=O)NC[C@@H]3CCCCN3Cc3ccccc3)ccc2=O)cn1 ZINC000095940419 568661693 /nfs/dbraw/zinc/66/16/93/568661693.db2.gz RHAFBDYNULGPPZ-FQEVSTJZSA-N 0 3 405.502 2.356 50 0 HEAAHN Cc1cc2n(n1)CCCN2C(=O)CCC(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000021532764 568711348 /nfs/dbraw/zinc/71/13/48/568711348.db2.gz NRHLDUNHOKRKBO-UHFFFAOYSA-N 0 3 409.534 2.489 50 0 HEAAHN C[C@H]1CCCCN1CCNC(=O)Cn1c2cccnc2n(-c2ccc(F)cc2)c1=O ZINC000096385827 568742190 /nfs/dbraw/zinc/74/21/90/568742190.db2.gz HCXILHICNSGJFA-INIZCTEOSA-N 0 3 411.481 2.317 50 0 HEAAHN OCCN(C[C@@H](O)Cn1ccc2ccccc21)C[C@@H](O)Cn1ccc2ccccc21 ZINC000002707532 568801933 /nfs/dbraw/zinc/80/19/33/568801933.db2.gz FWGHSGUHZNFIPN-FGZHOGPDSA-N 0 3 407.514 2.312 50 0 HEAAHN Cc1nonc1C(=O)N1CCC2(C[C@H]2C(=O)N2CCN(C3CCCCC3)CC2)CC1 ZINC000299771053 568874409 /nfs/dbraw/zinc/87/44/09/568874409.db2.gz RJRSXWOVZJNMOM-SFHVURJKSA-N 0 3 415.538 2.097 50 0 HEAAHN O=C(NC[C@@H]1CN(C2CCN(C3CCC3)CC2)C(=O)CO1)c1ccc(Cl)s1 ZINC000299776385 568874666 /nfs/dbraw/zinc/87/46/66/568874666.db2.gz AYRBKOBQRSETAI-OAHLLOKOSA-N 0 3 411.955 2.376 50 0 HEAAHN O=C(Cc1c[nH]c2ccccc12)N[C@@H]1C2CN3CC1(c1ccccc1)CN(C2)CC3 ZINC000670463567 568961083 /nfs/dbraw/zinc/96/10/83/568961083.db2.gz DBFOJKUIXZQHRI-ISISGCMPSA-N 0 3 400.526 2.394 50 0 HEAAHN COc1ccc([C@@H](CNC(=O)Cc2n[nH]c(=O)c3ccccc23)N2CCCC2)cc1 ZINC000008231036 568984128 /nfs/dbraw/zinc/98/41/28/568984128.db2.gz IJAJVQPHWPSIBU-OAQYLSRUSA-N 0 3 406.486 2.428 50 0 HEAAHN COc1ccc([C@H](CNC(=O)c2cc(S(=O)(=O)N(C)C)ccc2C)N(C)C)cc1 ZINC000008391359 568998358 /nfs/dbraw/zinc/99/83/58/568998358.db2.gz GTOKFCBZOYAXFZ-FQEVSTJZSA-N 0 3 419.547 2.287 50 0 HEAAHN CC(C)[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)NCCC[NH+]1CCCCCC1 ZINC000015942433 569024230 /nfs/dbraw/zinc/02/42/30/569024230.db2.gz CTHZPDZPAJRODK-KRWDZBQOSA-N 0 3 401.598 2.433 50 0 HEAAHN COc1c2c(c(CNC(=O)c3cccc(NC(C)=O)c3)c3c1CN(C)CC3)OCO2 ZINC000524729275 569051539 /nfs/dbraw/zinc/05/15/39/569051539.db2.gz MAOWGPISUCGACV-UHFFFAOYSA-N 0 3 411.458 2.300 50 0 HEAAHN COc1cc2c(cc1OC)[C@H](C(=O)NCCN(C)C)[C@H]1c3ccccc3CCN1C2=O ZINC000006729661 569102770 /nfs/dbraw/zinc/10/27/70/569102770.db2.gz RFBAMLHQIXJZME-FCHUYYIVSA-N 0 3 423.513 2.218 50 0 HEAAHN C[C@@H](C(=O)NCCN(C)C)C1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000065062103 569165997 /nfs/dbraw/zinc/16/59/97/569165997.db2.gz LZWSLBHJLFCMQQ-GFCCVEGCSA-N 0 3 407.989 2.116 50 0 HEAAHN CC(C)[C@H](CNC(=O)COc1ccc(CC(N)=O)cc1)N1CCc2ccccc2C1 ZINC000065583842 569236319 /nfs/dbraw/zinc/23/63/19/569236319.db2.gz MWYUBTOJYMCNGC-QFIPXVFZSA-N 0 3 409.530 2.292 50 0 HEAAHN CCO[C@@H]1C[C@H](N[C@@H](C)C(=O)N2CCN(c3ncccn3)CC2)C12CCCCC2 ZINC000170616778 569247599 /nfs/dbraw/zinc/24/75/99/569247599.db2.gz UHSAGZRJQGGJMZ-GBESFXJTSA-N 0 3 401.555 2.231 50 0 HEAAHN Cc1cc(N2CCN(C)CC2)nc(N2CCN(C(=O)c3ccccc3Cl)CC2)n1 ZINC000017012583 569271619 /nfs/dbraw/zinc/27/16/19/569271619.db2.gz ARHSSWNAYDAXQR-UHFFFAOYSA-N 0 3 414.941 2.153 50 0 HEAAHN CC(C)CN1CCN([C@H]2CCOC3(CCN(C(=O)c4cccn4C)CC3)C2)CC1 ZINC000581819876 569320936 /nfs/dbraw/zinc/32/09/36/569320936.db2.gz PQTQVVYAEXTNIP-FQEVSTJZSA-N 0 3 402.583 2.453 50 0 HEAAHN CS(=O)(=O)[N-]c1cccc2c1ccn2CC(=O)NC[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000253398139 569365395 /nfs/dbraw/zinc/36/53/95/569365395.db2.gz BYMDQAPSCKZZKI-QFBILLFUSA-N 0 3 418.563 2.394 50 0 biogenic HEAAHN CS(=O)(=O)[N-]c1cccc2c1ccn2CC(=O)NC[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000253398139 569365397 /nfs/dbraw/zinc/36/53/97/569365397.db2.gz BYMDQAPSCKZZKI-QFBILLFUSA-N 0 3 418.563 2.394 50 0 biogenic HEAAHN CC(C)CN(C(=O)CN[C@H](C)c1ccccc1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000039726269 571133989 /nfs/dbraw/zinc/13/39/89/571133989.db2.gz OSOFZWWYBNQPNO-MRXNPFEDSA-N 0 3 415.538 2.115 50 0 HEAAHN COCCN1CCC(CNC(=O)c2cc(-c3cc(OC)ccc3OC)nn2C)CC1 ZINC000077200745 571313164 /nfs/dbraw/zinc/31/31/64/571313164.db2.gz HMJMJPUOPQJJND-UHFFFAOYSA-N 0 3 416.522 2.193 50 0 HEAAHN CCN(CCNC(=O)CN1CCCc2nc(C3CC3)ncc2C1=O)Cc1ccccc1 ZINC000581787585 1078761262 /nfs/dbraw/zinc/76/12/62/1078761262.db2.gz OBKGTMCLBLGHDI-UHFFFAOYSA-N 0 3 421.545 2.381 50 0 HEAAHN Cc1cc(C)c(S(=O)(=O)N2CCN(c3cc(N(C)C)nc(C)n3)CC2)cc1C ZINC000015671230 132461896 /nfs/dbraw/zinc/46/18/96/132461896.db2.gz MRRHVPOADVZCQK-UHFFFAOYSA-N 0 3 403.552 2.287 50 0 HEAAHN COc1ccccc1N1CCN([C@@H]2CCCN(C(=O)C3CCN(C)CC3)C2)CC1 ZINC000011668101 537069310 /nfs/dbraw/zinc/06/93/10/537069310.db2.gz PNHOSGSMCMTIGZ-HXUWFJFHSA-N 0 3 400.567 2.150 50 0 HEAAHN COc1ccc(CCN[C@H]2CC(=O)N(CCc3ccc(OC)c(OC)c3)C2=O)cc1 ZINC000004143300 557519560 /nfs/dbraw/zinc/51/95/60/557519560.db2.gz IZVGKCYZCHTGPZ-IBGZPJMESA-N 0 3 412.486 2.215 50 0 HEAAHN COc1ccc(OC[C@H](O)CN2CCC(O)CC2)c(CNCc2ccccc2)c1 ZINC000011661052 558265041 /nfs/dbraw/zinc/26/50/41/558265041.db2.gz ZMUBSPRNYZKYPD-OAQYLSRUSA-N 0 3 400.519 2.181 50 0 HEAAHN COc1ccc(OC[C@@H](O)CN2CCC(O)CC2)c(CNCc2ccccc2C)c1 ZINC000011816498 558279889 /nfs/dbraw/zinc/27/98/89/558279889.db2.gz NBXGWRQTBAWRIX-QFIPXVFZSA-N 0 3 414.546 2.490 50 0 HEAAHN O=C(CC1C(=O)N(CCN2CCOCC2)c2nc3ccccc3n21)Nc1ccccc1 ZINC000019817449 558287940 /nfs/dbraw/zinc/28/79/40/558287940.db2.gz SHBRWXOKMRLBAS-FQEVSTJZSA-N 0 3 419.485 2.285 50 0 HEAAHN COCCNc1nc2nonc2nc1NC[C@H](c1ccc(F)cc1)N1CCCC1 ZINC000012207130 558353138 /nfs/dbraw/zinc/35/31/38/558353138.db2.gz RVRNAWGAPYFFKJ-OAHLLOKOSA-N 0 3 401.446 2.459 50 0 HEAAHN NC(=O)C1CCN(C[C@H](O)COc2ccc3c(c2)oc(=O)cc3-c2ccccc2)CC1 ZINC000020721294 558402975 /nfs/dbraw/zinc/40/29/75/558402975.db2.gz JJHZQWHSXGIYKA-SFHVURJKSA-N 0 3 422.481 2.397 50 0 biogenic HEAAHN CN(C)[C@H](CNC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1)Cc1ccccc1 ZINC000024551730 558601050 /nfs/dbraw/zinc/60/10/50/558601050.db2.gz MJXCDTOUIOPLSU-MJGOQNOKSA-N 0 3 409.486 2.057 50 0 HEAAHN Cc1ccc(C)c(CN[C@H]2C[C@H]3C(=O)N[C@@H](COCc4ccccc4)C(=O)N3C2)c1 ZINC000014732121 558665618 /nfs/dbraw/zinc/66/56/18/558665618.db2.gz XLEAGGYGGKVYMN-FKBYEOEOSA-N 0 3 407.514 2.078 50 0 HEAAHN COCCN1C(=O)N(CCc2ccccc2)C(=O)C12CCN([C@@H](C)COC)CC2 ZINC000014742976 558667691 /nfs/dbraw/zinc/66/76/91/558667691.db2.gz NZJBRPKSGLXDGO-SFHVURJKSA-N 0 3 403.523 2.009 50 0 HEAAHN COCCN1C(=O)N(Cc2ccccc2)C2(CCN([C@@H]3CCSC3)CC2)C1=O ZINC000014752414 558671045 /nfs/dbraw/zinc/67/10/45/558671045.db2.gz CNQPNPKHSLJACU-GOSISDBHSA-N 0 3 403.548 2.437 50 0 HEAAHN O=C(NCCc1c[nH]cn1)[C@@H]1C[C@H](COc2cccnc2)CN(Cc2ccncc2)C1 ZINC000014755065 558671796 /nfs/dbraw/zinc/67/17/96/558671796.db2.gz ITXGFNDHZXDYFU-VQTJNVASSA-N 0 3 420.517 2.076 50 0 HEAAHN O=C(NCCc1cnc[nH]1)[C@@H]1C[C@H](COc2cccnc2)CN(Cc2ccncc2)C1 ZINC000014755065 558671799 /nfs/dbraw/zinc/67/17/99/558671799.db2.gz ITXGFNDHZXDYFU-VQTJNVASSA-N 0 3 420.517 2.076 50 0 HEAAHN COc1cc(CN2CCC3(C[C@@H]3C(=O)N3CCCN(C)CC3)CC2)cc(OC)c1 ZINC000014964102 558685172 /nfs/dbraw/zinc/68/51/72/558685172.db2.gz PDDWCQBJXUAXCA-OAQYLSRUSA-N 0 3 401.551 2.470 50 0 HEAAHN O=C(COCc1nnc(C(=O)Nc2ccccc2)s1)NCCN1CCCCCC1 ZINC000032987680 558807531 /nfs/dbraw/zinc/80/75/31/558807531.db2.gz SSLDYANPSRMPHU-UHFFFAOYSA-N 0 3 417.535 2.299 50 0 HEAAHN O=S(=O)(c1cccc2nonc21)N1CCN(C23CC4CC(CC(C4)C2)C3)CC1 ZINC000017082515 558814527 /nfs/dbraw/zinc/81/45/27/558814527.db2.gz PIIAHGBRJHIZFB-UHFFFAOYSA-N 0 3 402.520 2.498 50 0 HEAAHN Cc1ccc(NC(=O)Nc2ccc(C)n(CC(=O)NCCN3CCCC3)c2=O)cc1 ZINC000097938431 558825021 /nfs/dbraw/zinc/82/50/21/558825021.db2.gz SGRMOJWJMZNMPU-UHFFFAOYSA-N 0 3 411.506 2.321 50 0 HEAAHN COc1ccc(C2=NN(CC(=O)NCCN(C)CCc3ccccc3)C(=O)CC2)cc1 ZINC000004712547 558917729 /nfs/dbraw/zinc/91/77/29/558917729.db2.gz DXSLNIQZLAORLD-UHFFFAOYSA-N 0 3 422.529 2.312 50 0 HEAAHN O=C(CCc1ccc(S(=O)(=O)N2CCCCC2)cc1)N[C@@H]1CCN(C2CC2)C1 ZINC000060061266 558940781 /nfs/dbraw/zinc/94/07/81/558940781.db2.gz JKVZUNURVFLIHJ-GOSISDBHSA-N 0 3 405.564 2.147 50 0 HEAAHN CN1CCC(NC(=O)c2ccc(CN(c3ccccc3)S(C)(=O)=O)cc2)CC1 ZINC000065362816 558973669 /nfs/dbraw/zinc/97/36/69/558973669.db2.gz COASCJILLDMIGT-UHFFFAOYSA-N 0 3 401.532 2.477 50 0 HEAAHN COc1ccc(CN2CCN(C3CCN(C(C)=O)CC3)C[C@@H]2CCO)c(C)c1C ZINC000077405951 559003861 /nfs/dbraw/zinc/00/38/61/559003861.db2.gz DDPOOZBABWBROU-QFIPXVFZSA-N 0 3 403.567 2.192 50 0 HEAAHN COC(=O)C1CCN(C[C@@H](O)COc2ccc(CN3CC=C(C)CC3)cc2)CC1 ZINC000095528072 559086325 /nfs/dbraw/zinc/08/63/25/559086325.db2.gz JBHDRUBMVSLYEJ-OAQYLSRUSA-N 0 3 402.535 2.463 50 0 HEAAHN COCCN1CCC(CN(C[C@@H]2CCCO2)C(=O)c2ccc3nccn3c2)CC1 ZINC000096137449 559095565 /nfs/dbraw/zinc/09/55/65/559095565.db2.gz HIFCJNUVPWHQAT-FQEVSTJZSA-N 0 3 400.523 2.314 50 0 HEAAHN CN(C)CCNC(=O)CCN(C[C@H]1CCCO1)C(=O)c1cc(-c2ccccc2)on1 ZINC000096210193 559101366 /nfs/dbraw/zinc/10/13/66/559101366.db2.gz WPWJHCUUAWTNTN-GOSISDBHSA-N 0 3 414.506 2.031 50 0 HEAAHN CCc1nn(CC(=O)NCCCN(C)Cc2ccccc2)c(=O)c2cc3occc3n21 ZINC000005149430 559253270 /nfs/dbraw/zinc/25/32/70/559253270.db2.gz RJPUJMZULRIHJK-UHFFFAOYSA-N 0 3 421.501 2.443 50 0 HEAAHN CCN(CC)CCn1c2c(c(SCC(=O)Nc3cc(C)on3)nc1=O)CCC2 ZINC000005254235 560551947 /nfs/dbraw/zinc/55/19/47/560551947.db2.gz CPRMZIYFFDXDCU-UHFFFAOYSA-N 0 3 405.524 2.101 50 0 HEAAHN Cc1ccc(NC(=O)c2ccccc2)c(=O)n1CC(=O)NCCN1CCCC[C@H]1C ZINC000097938339 560849946 /nfs/dbraw/zinc/84/99/46/560849946.db2.gz YGYGVJCIUNFJQD-QGZVFWFLSA-N 0 3 410.518 2.400 50 0 HEAAHN CN1CCC2(CC1)C[C@H](NC(=O)c1ccccc1-n1cnnn1)c1ccccc1O2 ZINC000048302778 568437832 /nfs/dbraw/zinc/43/78/32/568437832.db2.gz RIIFGWALZMXAOB-SFHVURJKSA-N 0 3 404.474 2.380 50 0 HEAAHN C[C@@H](O)CN1CCC(CN(C)S(=O)(=O)c2sccc2Br)CC1 ZINC000095433020 568609469 /nfs/dbraw/zinc/60/94/69/568609469.db2.gz XSDYVZGFCWOPIF-LLVKDONJSA-N 0 3 411.387 2.224 50 0 HEAAHN CCOC(=O)C1=C(CN2CCN([C@@H](C)CC)CC2)NC(=O)N[C@H]1c1ccccc1 ZINC000020284062 568597019 /nfs/dbraw/zinc/59/70/19/568597019.db2.gz RLQHEAKHHIFDLV-JXFKEZNVSA-N 0 3 400.523 2.274 50 0 HEAAHN CCOC(=O)C1C(CN2CCN([C@@H](C)CC)CC2)=NC(=O)N[C@H]1c1ccccc1 ZINC000020284062 568597020 /nfs/dbraw/zinc/59/70/20/568597020.db2.gz RLQHEAKHHIFDLV-JXFKEZNVSA-N 0 3 400.523 2.274 50 0 HEAAHN CCOC(=O)c1c(-c2ccc(F)cc2)csc1NC(=O)C(=O)NCCN(C)C ZINC000095461362 568620703 /nfs/dbraw/zinc/62/07/03/568620703.db2.gz SNLCBIXXPBVJCV-UHFFFAOYSA-N 0 3 407.467 2.347 50 0 HEAAHN O=S(=O)(NC1CCN([C@@H]2CCC[C@@H]2O)CC1)c1cccc(Br)c1 ZINC000095972953 568671730 /nfs/dbraw/zinc/67/17/30/568671730.db2.gz XCXUIZRCIGPAOO-CVEARBPZSA-N 0 3 403.342 2.105 50 0 HEAAHN O=C(C[C@@H]1NC(=O)N(Cc2ccccc2)C1=O)NC1CCN(Cc2ccccc2)CC1 ZINC000096232809 568708406 /nfs/dbraw/zinc/70/84/06/568708406.db2.gz OPJCKHVDTAHVAZ-NRFANRHFSA-N 0 3 420.513 2.278 50 0 HEAAHN CCCN1CCN(CCCNC(=O)c2ccc3c(c2)NC(=O)[C@H]2CCCCN32)CC1 ZINC000021938351 568762913 /nfs/dbraw/zinc/76/29/13/568762913.db2.gz QLYAJQMIIBACEA-OAQYLSRUSA-N 0 3 413.566 2.145 50 0 HEAAHN COC(=O)C1=C(CNC2CCCCC2)NC(=O)N[C@H]1c1ccc(OC)c(OC)c1 ZINC000057731171 568859125 /nfs/dbraw/zinc/85/91/25/568859125.db2.gz SYUGNINXMYINRI-IBGZPJMESA-N 0 3 403.479 2.407 50 0 HEAAHN Cc1nccn1CCN1CCC(N2C[C@@H](COc3ccc(F)cc3)OCC2=O)CC1 ZINC000299795372 568876182 /nfs/dbraw/zinc/87/61/82/568876182.db2.gz LHTSYFIRSAQOLF-NRFANRHFSA-N 0 3 416.497 2.101 50 0 HEAAHN O=C(N[C@H]1C2CN3CC1(c1ccccc1)CN(C2)CC3)c1ccc(-n2cccn2)cc1 ZINC000670440572 568893761 /nfs/dbraw/zinc/89/37/61/568893761.db2.gz UWTUEMJWYQAJFU-KOXWRSSLSA-N 0 3 413.525 2.170 50 0 HEAAHN CCS(=O)(=O)N1CCC[C@@H](C(=O)NCCN2CCC(Cc3ccccc3)CC2)C1 ZINC000004111065 568944148 /nfs/dbraw/zinc/94/41/48/568944148.db2.gz OAPPNHMWUVMCKE-OAQYLSRUSA-N 0 3 421.607 2.119 50 0 HEAAHN CCN(CC)CCNC(=O)C(=O)c1cn(CC(=O)N2CCCCC2)c2ccccc12 ZINC000004272349 568957370 /nfs/dbraw/zinc/95/73/70/568957370.db2.gz GNMSXHQUIWFCJC-UHFFFAOYSA-N 0 3 412.534 2.295 50 0 HEAAHN c1[nH]c2ccccc2c1CCNC1(c2nnnn2CCCN2CCOCC2)CCCC1 ZINC000575443682 569028531 /nfs/dbraw/zinc/02/85/31/569028531.db2.gz HTONCKJYFFPGGK-UHFFFAOYSA-N 0 3 423.565 2.478 50 0 HEAAHN Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000064334010 569053737 /nfs/dbraw/zinc/05/37/37/569053737.db2.gz DIMZZKBXXKBDTL-ZWKOTPCHSA-N 0 3 407.518 2.411 50 0 HEAAHN CCN1CCN(CCN2CC3(CCN(C(=O)[C@H]4CC[C@H](C)CC4)CC3)OC2=O)CC1 ZINC000244795517 569055174 /nfs/dbraw/zinc/05/51/74/569055174.db2.gz RHUOVSYWTKJERS-MXVIHJGJSA-N 0 3 420.598 2.264 50 0 HEAAHN Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1CNC[C@H](Cc1ccccc1)N(C)C ZINC000089512568 569062158 /nfs/dbraw/zinc/06/21/58/569062158.db2.gz SHMHSAIGIFTFGN-PMACEKPBSA-N 0 3 404.580 2.122 50 0 HEAAHN C[C@H]1Cn2c3c(nc2N(c2ccccc2)C1)n(C)c(=O)n(CCN1CCCCC1)c3=O ZINC000006571973 569066655 /nfs/dbraw/zinc/06/66/55/569066655.db2.gz AKEUOHZYTLAVGQ-QGZVFWFLSA-N 0 3 422.533 2.170 50 0 HEAAHN COc1ccc(-c2cc(C(=O)N3CCCC[C@@H]3C(=O)NCCN(C)C)no2)cc1 ZINC000035989282 569074390 /nfs/dbraw/zinc/07/43/90/569074390.db2.gz NJDSPTCQJJUUKU-GOSISDBHSA-N 0 3 400.479 2.023 50 0 HEAAHN COc1ccc(CN(CCN2CCOCC2)C[C@H](O)COCc2ccccc2)cc1 ZINC000036102041 569091778 /nfs/dbraw/zinc/09/17/78/569091778.db2.gz JGMAKHVIRNMLNU-QHCPKHFHSA-N 0 3 414.546 2.407 50 0 HEAAHN Cc1ccc(NC(=O)Nc2ccc(C)n(CC(=O)N3CCCN(C)CC3)c2=O)cc1 ZINC000065212268 569197368 /nfs/dbraw/zinc/19/73/68/569197368.db2.gz UBKQNKZZVULTGE-UHFFFAOYSA-N 0 3 411.506 2.273 50 0 HEAAHN CN1CCCN(c2ccc(CNC(=O)Cc3ccc(N4CCCC4=O)cc3)cn2)CC1 ZINC000065612102 569238498 /nfs/dbraw/zinc/23/84/98/569238498.db2.gz BZLHGPSMCJPJKA-UHFFFAOYSA-N 0 3 421.545 2.209 50 0 HEAAHN CN(CC(=O)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1)C1CCCCCC1 ZINC000014705226 569269530 /nfs/dbraw/zinc/26/95/30/569269530.db2.gz MYVMRCLNOXDCOX-UHFFFAOYSA-N 0 3 411.543 2.313 50 0 HEAAHN COc1cc([C@@H]2NC(=O)N[C@](O)(c3cccs3)C2C(=O)C(F)(F)F)ccc1O ZINC000252445539 569286141 /nfs/dbraw/zinc/28/61/41/569286141.db2.gz YVLUXFJDSHWBQV-WWGRRREGSA-N 0 3 416.377 2.409 50 0 HEAAHN CC(=O)N1CCN([C@H]2CCOC3(CCN(C(=O)Cc4cccc(F)c4)CC3)C2)CC1 ZINC000581819802 569320785 /nfs/dbraw/zinc/32/07/85/569320785.db2.gz LYKGXEMVTFAPQO-NRFANRHFSA-N 0 3 417.525 2.073 50 0 HEAAHN C[C@H](NC(=O)c1ccc2ccccc2c1)C(=O)N1CCC2(CC1)NCCc1nc[nH]c12 ZINC000008996523 571208845 /nfs/dbraw/zinc/20/88/45/571208845.db2.gz TTYCRIHEOOCSKV-INIZCTEOSA-N 0 3 417.513 2.345 50 0 HEAAHN CN1CC2(C[C@H]1C(=O)N1CCOCC1)CCN(C(=O)c1ccc3ncccc3c1)CC2 ZINC000581803149 1078779903 /nfs/dbraw/zinc/77/99/03/1078779903.db2.gz UCPSYGWOVZGGFR-NRFANRHFSA-N 0 3 422.529 2.020 50 0 HEAAHN CCN1CCN(CCNC(=O)CN2C(=O)C3(CCCCC3)[C@@H]2c2ccccc2)CC1 ZINC000581803873 1078780128 /nfs/dbraw/zinc/78/01/28/1078780128.db2.gz ZIYIZSQCTDEJHA-QFIPXVFZSA-N 0 3 412.578 2.274 50 0 HEAAHN c1nc2c(sc3nc(N4CCOCC4)c4c(c32)CCCC4)c(N2CCNCC2)n1 ZINC000000794167 132232650 /nfs/dbraw/zinc/23/26/50/132232650.db2.gz GFJKDAQLFVOZBV-UHFFFAOYSA-N 0 3 410.547 2.365 50 0 HEAAHN O=C(CN1C(=O)COc2ccccc21)NCCN1CCC(Cc2ccccc2)CC1 ZINC000002953702 132260346 /nfs/dbraw/zinc/26/03/46/132260346.db2.gz QUVQUSRTFAGOKG-UHFFFAOYSA-N 0 3 407.514 2.483 50 0 HEAAHN O=C(NCCc1nc2cc(Cl)ccc2[nH]1)c1cn(CCN2CCCCC2)nn1 ZINC000011664397 558267933 /nfs/dbraw/zinc/26/79/33/558267933.db2.gz SVURTTFGEHBPFZ-UHFFFAOYSA-N 0 3 401.902 2.266 50 0 HEAAHN COc1ccc(CN(C)Cc2cnccn2)cc1OC[C@H](O)CN1CCCCC1 ZINC000011753937 558272894 /nfs/dbraw/zinc/27/28/94/558272894.db2.gz ZZNTUOOQRLEJED-HXUWFJFHSA-N 0 3 400.523 2.343 50 0 HEAAHN COCCC(=O)N[C@H](C)c1nnc2n1CCN(Cc1ccc3ncccc3c1)CC2 ZINC000011786388 558276124 /nfs/dbraw/zinc/27/61/24/558276124.db2.gz JQEFRKPKLFVHSH-MRXNPFEDSA-N 0 3 408.506 2.098 50 0 HEAAHN COc1ccc(/C=C/CN2CCc3nnc(CNC(=O)c4ccccn4)n3CC2)cc1 ZINC000011911271 558296934 /nfs/dbraw/zinc/29/69/34/558296934.db2.gz VWSPOVXHVPTQEP-SNAWJCMRSA-N 0 3 418.501 2.183 50 0 HEAAHN COc1ccc(-c2cc3ccccc3n2C[C@@H](O)CN2CCN(CCO)CC2)cc1 ZINC000019973628 558316475 /nfs/dbraw/zinc/31/64/75/558316475.db2.gz PUPJUOFXSFHWKW-NRFANRHFSA-N 0 3 409.530 2.288 50 0 HEAAHN Cc1c(CN2CCC[C@H](N3CCN(Cc4ccc5c(c4)OCO5)CC3)C2)cnn1C ZINC000020455139 558368963 /nfs/dbraw/zinc/36/89/63/558368963.db2.gz UWPUJFQOVWLCIS-NRFANRHFSA-N 0 3 411.550 2.239 50 0 HEAAHN Cc1nonc1OCCNCc1c(C(=O)N(C)Cc2ccccc2)nc2ccccn21 ZINC000012316425 558379635 /nfs/dbraw/zinc/37/96/35/558379635.db2.gz UKJSRHGDBLYPEX-UHFFFAOYSA-N 0 3 420.473 2.467 50 0 HEAAHN COc1ccccc1CCN1CCC(CN(C)C(=O)C2=NN(C)C(=O)CC2)CC1 ZINC000012468640 558421241 /nfs/dbraw/zinc/42/12/41/558421241.db2.gz NFIBVFRDXXVBBT-UHFFFAOYSA-N 0 3 400.523 2.016 50 0 HEAAHN COc1ccc(C(=O)NCCN(C)C)cc1OC1CCN(C(=O)C=C(C)C)CC1 ZINC000020996197 558426830 /nfs/dbraw/zinc/42/68/30/558426830.db2.gz NLGKTYHJMXKLPU-UHFFFAOYSA-N 0 3 403.523 2.323 50 0 HEAAHN COc1cccc(CN2CCC[C@@]3(CCN(C(=O)CN4CCCC4=O)C3)C2)c1OC ZINC000012712853 558453552 /nfs/dbraw/zinc/45/35/52/558453552.db2.gz MTRPSJMEARQLCZ-HSZRJFAPSA-N 0 3 415.534 2.141 50 0 HEAAHN CN1C(=O)N(Cc2cccnc2)C(=O)C12CCN(Cc1ccc3c(c1)OCCO3)CC2 ZINC000014743633 558668024 /nfs/dbraw/zinc/66/80/24/558668024.db2.gz AFDCKUHVYQRXCS-UHFFFAOYSA-N 0 3 422.485 2.282 50 0 HEAAHN Cc1ccc(CN[C@H]2C[C@H]3C(=O)N[C@@H](COCc4ccccc4)C(=O)N3C2)c(C)c1 ZINC000014749919 558670570 /nfs/dbraw/zinc/67/05/70/558670570.db2.gz SCGYKWMHPVNNTE-FKBYEOEOSA-N 0 3 407.514 2.078 50 0 HEAAHN Cc1ccccc1CN1CCCN(C(=O)c2cccc(CN3C(=O)CNC3=O)c2)CC1 ZINC000027389798 558672924 /nfs/dbraw/zinc/67/29/24/558672924.db2.gz HGQSKKSDCIERBJ-UHFFFAOYSA-N 0 3 420.513 2.395 50 0 HEAAHN O=C(COc1ccccc1)NCCc1nnc2n1CCN(CC1CCCCC1)CC2 ZINC000014997228 558696639 /nfs/dbraw/zinc/69/66/39/558696639.db2.gz OSEOFOGCZTUIOS-UHFFFAOYSA-N 0 3 411.550 2.454 50 0 HEAAHN CCc1ccc(CN2CCc3nnc([C@@H](C)NC(=O)C4CCN(C)CC4)n3CC2)o1 ZINC000015004457 558698854 /nfs/dbraw/zinc/69/88/54/558698854.db2.gz FGUWZDVZLCHPPS-MRXNPFEDSA-N 0 3 414.554 2.011 50 0 HEAAHN Cc1ccc(S(=O)(=O)N2CCN(c3cc(N4CCCC4)nc(C)n3)CC2)cc1 ZINC000015671244 558748266 /nfs/dbraw/zinc/74/82/66/558748266.db2.gz HKCIQRHUUPZNIQ-UHFFFAOYSA-N 0 3 401.536 2.205 50 0 HEAAHN COc1ccccc1CCNC(=O)CN(C)C1CCN(CCc2ccccn2)CC1 ZINC000072308298 558770146 /nfs/dbraw/zinc/77/01/46/558770146.db2.gz OORQROXRCKSOFR-UHFFFAOYSA-N 0 3 410.562 2.388 50 0 HEAAHN C[C@@H]1CCCCN1CCN(CCC(=O)N1CCNCC1)C(=O)c1ccc(Cl)cc1 ZINC000035422038 558791852 /nfs/dbraw/zinc/79/18/52/558791852.db2.gz AOOBMHJPGAYGLX-GOSISDBHSA-N 0 3 420.985 2.479 50 0 HEAAHN O=C(COCc1nnc(C(=O)Nc2cccc(Cl)c2)s1)NCCN1CCCC1 ZINC000032987556 558807348 /nfs/dbraw/zinc/80/73/48/558807348.db2.gz ZUINOVVOSWEYFB-UHFFFAOYSA-N 0 3 423.926 2.172 50 0 HEAAHN Cc1ccc(NC(=O)Nc2ccccc2)c(=O)n1CC(=O)NCCN1CCCCC1 ZINC000097938414 558825030 /nfs/dbraw/zinc/82/50/30/558825030.db2.gz WBTSPXYKQODKDZ-UHFFFAOYSA-N 0 3 411.506 2.403 50 0 HEAAHN COc1ccccc1N1CCN(c2ncccc2CN[C@H](C)Cn2cncn2)CC1 ZINC000067982304 558862497 /nfs/dbraw/zinc/86/24/97/558862497.db2.gz HFTVYDDCCMGZGZ-GOSISDBHSA-N 0 3 407.522 2.187 50 0 HEAAHN COc1ccccc1N1CCN(c2ncccc2CN[C@@H](C)Cn2cncn2)CC1 ZINC000067982303 558862559 /nfs/dbraw/zinc/86/25/59/558862559.db2.gz HFTVYDDCCMGZGZ-SFHVURJKSA-N 0 3 407.522 2.187 50 0 HEAAHN Cc1c(C(=O)NCCN2CCCC[C@H]2C)sc2ncnc(N3CCN(C)CC3)c12 ZINC000033048283 558885221 /nfs/dbraw/zinc/88/52/21/558885221.db2.gz LIJQWQYFPJDSEN-OAHLLOKOSA-N 0 3 416.595 2.356 50 0 HEAAHN C[C@@H]1CN(S(=O)(=O)c2cccc(C(=O)N3CCCC[C@@H]3CN(C)C)c2)C[C@H](C)O1 ZINC000058202180 558911543 /nfs/dbraw/zinc/91/15/43/558911543.db2.gz RXDCWVDKTHFECC-ZIFCJYIRSA-N 0 3 423.579 2.041 50 0 HEAAHN COc1cccc(CN2CCC[C@]3(CCN(c4cc(C)nc(N)n4)C3)C2=O)c1OC ZINC000072135373 558928735 /nfs/dbraw/zinc/92/87/35/558928735.db2.gz DDIYCXAOPBCRQI-JOCHJYFZSA-N 0 3 411.506 2.404 50 0 HEAAHN O=C([C@@H]1CC(=O)N(c2ccccc2Br)C1)N1CC[C@H](N2CCCC2)C1 ZINC000060374066 558942128 /nfs/dbraw/zinc/94/21/28/558942128.db2.gz KOWYPXFZLHHXAK-CABCVRRESA-N 0 3 406.324 2.499 50 0 HEAAHN Cc1ccc(CN2CCc3nnc([C@@H](NS(C)(=O)=O)C(C)C)n3CC2)c(C)c1 ZINC000019608381 558946526 /nfs/dbraw/zinc/94/65/26/558946526.db2.gz KWWHCYWNVHGLRC-IBGZPJMESA-N 0 3 405.568 2.200 50 0 HEAAHN C[C@H](C(=O)NC1CCN(C)CC1)N(c1cc(Cl)cc(Cl)c1)S(C)(=O)=O ZINC000065362554 558973387 /nfs/dbraw/zinc/97/33/87/558973387.db2.gz ZPMPSDCBSUESGW-LLVKDONJSA-N 0 3 408.351 2.358 50 0 HEAAHN CC[C@H](C(=O)NC1CCN(C)CC1)N(c1cc(Cl)ccc1C)S(C)(=O)=O ZINC000065364761 558975966 /nfs/dbraw/zinc/97/59/66/558975966.db2.gz SUUPBRYMQJSLEN-MRXNPFEDSA-N 0 3 401.960 2.403 50 0 HEAAHN Cc1nc(N2CCCC2)cc(N2CCN(S(=O)(=O)c3cc(F)ccc3F)CC2)n1 ZINC000065365782 558976678 /nfs/dbraw/zinc/97/66/78/558976678.db2.gz BFRLNPVJPLDXJD-UHFFFAOYSA-N 0 3 423.489 2.174 50 0 HEAAHN CCN1CCN(CCN2CC3(CCN(Cc4sccc4C)CC3)OC2=O)CC1 ZINC000072418266 558978215 /nfs/dbraw/zinc/97/82/15/558978215.db2.gz DXPCQXVSMZYGIC-UHFFFAOYSA-N 0 3 406.596 2.481 50 0 HEAAHN COc1cc(OC)cc(C(=O)N2CCN(c3cc(N4CCCC4)nc(C)n3)CC2)c1 ZINC000072436794 558980162 /nfs/dbraw/zinc/98/01/62/558980162.db2.gz ADWLDHIAJRAUDG-UHFFFAOYSA-N 0 3 411.506 2.365 50 0 HEAAHN COc1cccc(C(=O)N2CCN(c3cc(N4CCCC4)nc(C)n3)CC2)c1OC ZINC000072437559 558980885 /nfs/dbraw/zinc/98/08/85/558980885.db2.gz DMIJUZRTDQAERU-UHFFFAOYSA-N 0 3 411.506 2.365 50 0 HEAAHN CCCS(=O)(=O)C(C)C(=O)NCC(=O)Nc1ccc(Br)c(C)c1 ZINC000060303015 559054254 /nfs/dbraw/zinc/05/42/54/559054254.db2.gz GKIHVNCXXRBIPP-NSHDSACASA-N 0 3 405.314 2.026 50 0 HEAAHN COCCN(C)C[C@@H]1CN(C(=O)Cc2c(C)[nH]c3c2c(C)ccc3C)C[C@@H]1CO ZINC000091943650 559074728 /nfs/dbraw/zinc/07/47/28/559074728.db2.gz NHJXXHTWOISISI-RTBURBONSA-N 0 3 401.551 2.281 50 0 HEAAHN CN(C)CCn1c2c(c(SCC(=O)Nc3ccc(F)cc3F)nc1=O)CCC2 ZINC000004851701 559191244 /nfs/dbraw/zinc/19/12/44/559191244.db2.gz DDDJMCREKVWSQR-UHFFFAOYSA-N 0 3 408.474 2.303 50 0 HEAAHN COc1ccc(NC(=O)CSc2nc(=O)n(CCN(C)C)c3c2CCC3)cc1 ZINC000004851653 559191288 /nfs/dbraw/zinc/19/12/88/559191288.db2.gz KOSZIXASMVLNAH-UHFFFAOYSA-N 0 3 402.520 2.033 50 0 HEAAHN CCc1nn(CC(=O)NCCN2CCCC[C@H]2C)c(=O)c2cc3sccc3n21 ZINC000005109024 559246812 /nfs/dbraw/zinc/24/68/12/559246812.db2.gz ASKXGWIBEWNKLT-CQSZACIVSA-N 0 3 401.536 2.264 50 0 HEAAHN CCc1nn(CC(=O)NCCN2CCCCCC2)c(=O)c2cc3sccc3n21 ZINC000005109014 559246833 /nfs/dbraw/zinc/24/68/33/559246833.db2.gz REQYWFPELZMHCH-UHFFFAOYSA-N 0 3 401.536 2.265 50 0 HEAAHN CCCCN1CCN(c2nc3c(c(=O)[nH]c(=O)n3C)n2Cc2cc(C)ccc2C)CC1 ZINC000005147920 559252777 /nfs/dbraw/zinc/25/27/77/559252777.db2.gz WNDARINICDEGFF-UHFFFAOYSA-N 0 3 424.549 2.011 50 0 HEAAHN C[C@@H]1CN(C)CC[C@H]1NC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 ZINC000106170354 560884950 /nfs/dbraw/zinc/88/49/50/560884950.db2.gz NDUVVMIZMQMBOB-IIBYNOLFSA-N 0 3 419.591 2.032 50 0 HEAAHN O=C(CN1C[C@H](O)[C@@H](N2CCCC2)C1)N(CCc1ccccc1)Cc1cccs1 ZINC000106922367 560894495 /nfs/dbraw/zinc/89/44/95/560894495.db2.gz CHJKWUIGTDHSGX-VXKWHMMOSA-N 0 3 413.587 2.460 50 0 HEAAHN CCN1CCC[C@H]1CNC(=O)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000044571892 560896867 /nfs/dbraw/zinc/89/68/67/560896867.db2.gz HKFAHVRZNWEKQO-KRWDZBQOSA-N 0 3 413.971 2.341 50 0 HEAAHN CCOC(=O)c1c(NC(=O)CNCCCN2CCOCC2)sc2c1CCCCC2 ZINC000095011308 568593881 /nfs/dbraw/zinc/59/38/81/568593881.db2.gz LGCRDGQQXXIVKI-UHFFFAOYSA-N 0 3 423.579 2.444 50 0 HEAAHN CCN1CCN(C(=O)[C@@H](C)N(C)CC2CCN(C(=O)Nc3ccccc3)CC2)CC1 ZINC000095448082 568612459 /nfs/dbraw/zinc/61/24/59/568612459.db2.gz LYDHVHRODJSGNP-LJQANCHMSA-N 0 3 415.582 2.415 50 0 HEAAHN COc1ccc(N2CCC(C(=O)NC3CCN(Cc4ccccc4)CC3)CC2)nn1 ZINC000095476066 568630349 /nfs/dbraw/zinc/63/03/49/568630349.db2.gz LUTYREPNXPEFIY-UHFFFAOYSA-N 0 3 409.534 2.482 50 0 HEAAHN COc1ccc(N2CCC[C@H](C(=O)NC3CCN(Cc4ccccc4)CC3)C2)nn1 ZINC000095478348 568631655 /nfs/dbraw/zinc/63/16/55/568631655.db2.gz XPQFGBGOIYNZBF-IBGZPJMESA-N 0 3 409.534 2.482 50 0 HEAAHN COc1ccc(S(=O)(=O)N2CC(N[C@H](C)CCc3ccc4c(c3)OCO4)C2)cc1 ZINC000095945438 568663415 /nfs/dbraw/zinc/66/34/15/568663415.db2.gz YSKPLRIQNHBEOH-OAHLLOKOSA-N 0 3 418.515 2.408 50 0 HEAAHN Cc1nn2c(ncc(C(=O)NCCCN3CCN(C)CC3)c2C)c1-c1ccccc1 ZINC000021537988 568712985 /nfs/dbraw/zinc/71/29/85/568712985.db2.gz JDAYBJWAJSCHOP-UHFFFAOYSA-N 0 3 406.534 2.380 50 0 HEAAHN COc1cc2c(cc1OC)[C@@H]1[C@@H](C(=O)NCCN(C)C)c3ccccc3C(=O)N1CC2 ZINC000002468422 568772823 /nfs/dbraw/zinc/77/28/23/568772823.db2.gz QTQXEGNQRSHSGD-FCHUYYIVSA-N 0 3 423.513 2.218 50 0 HEAAHN CC(C)CN(C(=O)CN(C)C1CCCCC1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000003389021 568893968 /nfs/dbraw/zinc/89/39/68/568893968.db2.gz HTOBNKFGDPSGRM-UHFFFAOYSA-N 0 3 407.559 2.028 50 0 HEAAHN COc1ccc([C@H](CNC(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)N(C)C)cc1 ZINC000003452183 568905957 /nfs/dbraw/zinc/90/59/57/568905957.db2.gz XKNWJTSCQXTCGD-FQEVSTJZSA-N 0 3 419.547 2.043 50 0 HEAAHN NC(=O)c1ccc(S(=O)(=O)NC[C@@H]2CCCN(CCc3ccccc3)C2)cc1 ZINC000670445334 568911283 /nfs/dbraw/zinc/91/12/83/568911283.db2.gz PLIIEAPJDUYFDM-SFHVURJKSA-N 0 3 401.532 2.019 50 0 HEAAHN O=C(NCCN1CCCC[C@H]1CO)C1CCN(C(=O)c2cccc(Cl)c2)CC1 ZINC000670462175 568952190 /nfs/dbraw/zinc/95/21/90/568952190.db2.gz JRLJDEGOERTLHS-IBGZPJMESA-N 0 3 407.942 2.155 50 0 HEAAHN CC(=O)c1cc(CC(=O)N[C@@H]2C3CN4CC2(c2ccccc2)CN(C3)CC4)cs1 ZINC000670467857 568975364 /nfs/dbraw/zinc/97/53/64/568975364.db2.gz RHIWIWOQNALHJK-PDGCRQIGSA-N 0 3 409.555 2.177 50 0 HEAAHN Cc1onc2c1c(C)nn(CCCC(=O)N1CCN(C3CCCCC3)CC1)c2=O ZINC000085613726 569004497 /nfs/dbraw/zinc/00/44/97/569004497.db2.gz LBXFMGNTVWLAFN-UHFFFAOYSA-N 0 3 401.511 2.258 50 0 HEAAHN COc1cc(CN2CCN(C3CSCCSC3)C[C@H]2CCO)cc(OC)c1 ZINC000104379129 569008521 /nfs/dbraw/zinc/00/85/21/569008521.db2.gz AUHLOHVEMCVZKT-QGZVFWFLSA-N 0 3 412.621 2.421 50 0 HEAAHN Cc1cc(N2CCN(C)CC2)nc(N2CCN(C(=O)Nc3ccc(F)cc3)CC2)n1 ZINC000015825191 569011367 /nfs/dbraw/zinc/01/13/67/569011367.db2.gz HMYSMXNDOPPKQP-UHFFFAOYSA-N 0 3 413.501 2.030 50 0 HEAAHN CCc1ccc([C@H](CNC(=O)c2cc(S(=O)(=O)NC)ccc2C)N(C)C)cc1 ZINC000013015654 569050860 /nfs/dbraw/zinc/05/08/60/569050860.db2.gz CWKKTMFWTUIZEN-FQEVSTJZSA-N 0 3 403.548 2.498 50 0 HEAAHN C[C@@H]1CN(c2ccc(NC(=O)N3C[C@@H](N4CCCC4)[C@@H](O)C3)cc2F)C[C@@H](C)O1 ZINC000241701741 569054834 /nfs/dbraw/zinc/05/48/34/569054834.db2.gz QKVXCZMZKRMMMU-IONDEXAJSA-N 0 3 406.502 2.112 50 0 HEAAHN COc1ccc(CNC(=O)[C@@H]2CCCN2C2CCN(CC(F)(F)F)CC2)cn1 ZINC000089466112 569060691 /nfs/dbraw/zinc/06/06/91/569060691.db2.gz NEGIIHLNYBTZBL-INIZCTEOSA-N 0 3 400.445 2.198 50 0 HEAAHN COc1cc2c(cc1OC)[C@@H](C(=O)NCCN(C)C)[C@H]1c3ccccc3CCN1C2=O ZINC000006729659 569102724 /nfs/dbraw/zinc/10/27/24/569102724.db2.gz RFBAMLHQIXJZME-FGZHOGPDSA-N 0 3 423.513 2.218 50 0 HEAAHN CCN1CCN(CCNC(=O)C2CCN(c3ncc(-c4ccccc4)cn3)CC2)CC1 ZINC000065023947 569155252 /nfs/dbraw/zinc/15/52/52/569155252.db2.gz GZWIJBKXQQZQRS-UHFFFAOYSA-N 0 3 422.577 2.114 50 0 HEAAHN CC(=O)Nc1nsc(N2CCC(C(=O)N3CCN(C4CCCCC4)CC3)CC2)n1 ZINC000065307657 569219871 /nfs/dbraw/zinc/21/98/71/569219871.db2.gz VASPKQZOCUKAPL-UHFFFAOYSA-N 0 3 420.583 2.190 50 0 HEAAHN CCN1CCC(N(C)C(=O)[C@@H]2C[C@@H]3CCCC[C@H]3N2C(=O)c2cnn(C)c2C)CC1 ZINC000252452396 569286382 /nfs/dbraw/zinc/28/63/82/569286382.db2.gz GNDIWIHDBCRDFG-WMQCIHAUSA-N 0 3 415.582 2.445 50 0 HEAAHN CCn1nccc1C(=O)N1CCC2(CC1)C[C@H](N1CCN(C(C)C)CC1)CCO2 ZINC000581820209 569321137 /nfs/dbraw/zinc/32/11/37/569321137.db2.gz XYJUJOBKWSITEC-LJQANCHMSA-N 0 3 403.571 2.083 50 0 HEAAHN COCCN1CCC[C@H](CNC(=O)CNC(=O)c2cc(Cl)ccc2Cl)C1 ZINC000670472607 571096807 /nfs/dbraw/zinc/09/68/07/571096807.db2.gz RSHBFJZEYXDMSR-CYBMUJFWSA-N 0 3 402.322 2.198 50 0 HEAAHN C[C@@H](NC(=O)c1ccc2ccccc2c1)C(=O)N1CCC2(CC1)NCCc1nc[nH]c12 ZINC000008996524 571208746 /nfs/dbraw/zinc/20/87/46/571208746.db2.gz TTYCRIHEOOCSKV-MRXNPFEDSA-N 0 3 417.513 2.345 50 0 HEAAHN COc1ccc([C@@H](CNC(=O)Cn2cnc3sccc3c2=O)N2CCCC2)cc1 ZINC000009054266 571216645 /nfs/dbraw/zinc/21/66/45/571216645.db2.gz RUQBBDGPKNQSDX-GOSISDBHSA-N 0 3 412.515 2.420 50 0 HEAAHN CCN1CCC[C@@H]1CNC(=O)C(=O)Nc1ccccc1C(=O)NCCc1ccccc1 ZINC000009482283 571262156 /nfs/dbraw/zinc/26/21/56/571262156.db2.gz NLIDYBIGTXEDPV-LJQANCHMSA-N 0 3 422.529 2.198 50 0 HEAAHN COc1ccc(COC[C@@H](O)CN(C)Cc2ccc3c(c2)OCCO3)cc1OC ZINC000009647391 571276592 /nfs/dbraw/zinc/27/65/92/571276592.db2.gz POPDUSTUEJMZBF-SFHVURJKSA-N 0 3 403.475 2.485 50 0 HEAAHN Cc1c(CN2CCC(Cc3ccc(CCNS(C)(=O)=O)cc3)CC2)cnn1C ZINC000581813273 1078779396 /nfs/dbraw/zinc/77/93/96/1078779396.db2.gz QTRMDNPPEMJRNU-UHFFFAOYSA-N 0 3 404.580 2.275 50 0 HEAAHN Cc1nnc([C@H]2CCN(Cc3ccc(C(F)(F)F)cc3)C[C@H]2NC(=O)CN(C)C)[nH]1 ZINC000575541623 1076333715 /nfs/dbraw/zinc/33/37/15/1076333715.db2.gz HELJBNPEFMIHIA-DLBZAZTESA-N 0 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/nfs/dbraw/zinc/48/26/81/557482681.db2.gz VOCHDPOQZKOGBF-MRXNPFEDSA-N 0 3 408.340 2.400 50 0 HEAAHN COc1ccc(S(=O)(=O)NCCCN2CCCCC2)cc1C(=O)N1CCCC1 ZINC000010279355 557858089 /nfs/dbraw/zinc/85/80/89/557858089.db2.gz HUUXFJJPKDUWEU-UHFFFAOYSA-N 0 3 409.552 2.086 50 0 HEAAHN COc1ccc(CCN(C)[C@@H]2CCCN(S(=O)(=O)c3cccnc3)C2)cc1OC ZINC000011668216 558269999 /nfs/dbraw/zinc/26/99/99/558269999.db2.gz CLBJVGSQSFZIPN-GOSISDBHSA-N 0 3 419.547 2.426 50 0 HEAAHN COc1cc(CNCc2cccnc2)ccc1OC[C@@H](O)CN1CCSCC1 ZINC000011820694 558283996 /nfs/dbraw/zinc/28/39/96/558283996.db2.gz OLYSEOQAQIKWMD-IBGZPJMESA-N 0 3 403.548 2.169 50 0 HEAAHN O[C@H](COc1cccc(CN2CCN(C3CCCCC3)CC2)c1)CN1CCOCC1 ZINC000019794879 558284076 /nfs/dbraw/zinc/28/40/76/558284076.db2.gz GTYCTEJGJYXXNQ-QHCPKHFHSA-N 0 3 417.594 2.209 50 0 HEAAHN COc1ccc(CCN(C)[C@@H]2CCCN(C(=O)c3cc(C)nc(N)n3)C2)cc1OC ZINC000011843673 558288508 /nfs/dbraw/zinc/28/85/08/558288508.db2.gz LEYNKSQQAXBNAI-QGZVFWFLSA-N 0 3 413.522 2.164 50 0 HEAAHN COc1ccccc1CCN1CCC[C@@H](CN(C)C(=O)CCN2CCCC2=O)C1 ZINC000011933014 558297900 /nfs/dbraw/zinc/29/79/00/558297900.db2.gz CUXDMCHTXOQMNY-IBGZPJMESA-N 0 3 401.551 2.421 50 0 HEAAHN CN1C(=O)C(=C(NCCN2CCCCC2)c2ccccc2Cl)C(=O)N(C)C1=O ZINC000019867480 558299173 /nfs/dbraw/zinc/29/91/73/558299173.db2.gz ZBWFIHSQJBIIMT-UHFFFAOYSA-N 0 3 404.898 2.177 50 0 HEAAHN CCOc1ccc(N2C(=O)C[C@H](N3CCC(CCN4CCOCC4)CC3)C2=O)cc1 ZINC000019890130 558302768 /nfs/dbraw/zinc/30/27/68/558302768.db2.gz AJDGTHVZKGEGJG-NRFANRHFSA-N 0 3 415.534 2.152 50 0 HEAAHN O=CN1CCCN(Cc2cccc(OC[C@@H](O)CN3CCc4ccccc4C3)c2)CC1 ZINC000012298976 558368958 /nfs/dbraw/zinc/36/89/58/558368958.db2.gz LHOMYMMZGHNFPQ-DEOSSOPVSA-N 0 3 423.557 2.149 50 0 HEAAHN CN(C)CCN(C[C@@H]1CCCN(Cc2ccccc2F)C1)C(=O)CCn1cncn1 ZINC000012386180 558394993 /nfs/dbraw/zinc/39/49/93/558394993.db2.gz MFMHXTSDZJREHB-LJQANCHMSA-N 0 3 416.545 2.110 50 0 HEAAHN COc1ccc(-c2noc(CN(C)CCCCN3CCOCC3)n2)c(OC)c1OC ZINC000012480077 558423176 /nfs/dbraw/zinc/42/31/76/558423176.db2.gz FFLWPLDBONJIRP-UHFFFAOYSA-N 0 3 420.510 2.307 50 0 HEAAHN O=C(CN1CCC(O)CC1)Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1 ZINC000021581930 558442002 /nfs/dbraw/zinc/44/20/02/558442002.db2.gz ZIFUIUOHUGPUGO-UHFFFAOYSA-N 0 3 408.546 2.404 50 0 HEAAHN COc1ccc(CNCc2ccccc2C)c(OC[C@H](O)CN2CCN(C)CC2)c1 ZINC000022852945 558517169 /nfs/dbraw/zinc/51/71/69/558517169.db2.gz IGBHTUAZWCQBFF-JOCHJYFZSA-N 0 3 413.562 2.281 50 0 HEAAHN Nc1nonc1C(=O)NCCNCc1ccccc1OCc1ccccc1Cl ZINC000013942019 558604628 /nfs/dbraw/zinc/60/46/28/558604628.db2.gz IBFYXHUEHSJNLK-UHFFFAOYSA-N 0 3 401.854 2.404 50 0 HEAAHN Nc1nonc1C(=O)NCCNCc1ccc(OCc2ccc(Cl)cc2)cc1 ZINC000013942021 558604632 /nfs/dbraw/zinc/60/46/32/558604632.db2.gz YKCSWMOBJVVEQK-UHFFFAOYSA-N 0 3 401.854 2.404 50 0 HEAAHN COCCCN1C(=O)N(Cc2ccccc2)C(=O)C12CCN([C@H](C)COC)CC2 ZINC000014543075 558660774 /nfs/dbraw/zinc/66/07/74/558660774.db2.gz NFXVCYIFUCVVJU-GOSISDBHSA-N 0 3 403.523 2.357 50 0 HEAAHN COCCN1C(=O)N(CCc2ccccc2)C2(CCN([C@H]3CCSC3)CC2)C1=O ZINC000014543315 558660976 /nfs/dbraw/zinc/66/09/76/558660976.db2.gz AFGMGOBXPNMSJZ-IBGZPJMESA-N 0 3 417.575 2.480 50 0 HEAAHN COCC(=O)N1CCC(Oc2ccc(C(=O)N(C)C[C@H]3CCCN(C)C3)cc2)CC1 ZINC000015073857 558714417 /nfs/dbraw/zinc/71/44/17/558714417.db2.gz DSRCLEFYJMJEDT-SFHVURJKSA-N 0 3 417.550 2.117 50 0 HEAAHN CCN1CCC[C@@H]1CNC(=O)CCC1CCN(C(=O)c2n[nH]c3c2CCC3)CC1 ZINC000015077661 558717259 /nfs/dbraw/zinc/71/72/59/558717259.db2.gz MNIJDDNFRLHJDX-QGZVFWFLSA-N 0 3 401.555 2.131 50 0 HEAAHN O=C(c1ccc(CN2CCCC2)cc1)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000030947304 558746752 /nfs/dbraw/zinc/74/67/52/558746752.db2.gz AKMZUDNOCSYLMD-UHFFFAOYSA-N 0 3 413.543 2.429 50 0 HEAAHN Cc1cccc(S(=O)(=O)N2CCN(c3cc(N4CCCC4)nc(C)n3)CC2)c1 ZINC000015671243 558748368 /nfs/dbraw/zinc/74/83/68/558748368.db2.gz DYNOBUBUPJQKJT-UHFFFAOYSA-N 0 3 401.536 2.205 50 0 HEAAHN COc1ccc([C@H](CNC[C@@H](O)COc2ccc(C)cc2)N2CCOCC2)cc1 ZINC000019369698 558878096 /nfs/dbraw/zinc/87/80/96/558878096.db2.gz OXBVTFZPCZPEAI-OFNKIYASSA-N 0 3 400.519 2.406 50 0 HEAAHN COc1ccc(C[C@H](NC[C@H](O)CN2CCOCC2)c2ccc(OC)cc2)cc1 ZINC000057993526 558893209 /nfs/dbraw/zinc/89/32/09/558893209.db2.gz YNISYUGGABUNQW-REWPJTCUSA-N 0 3 400.519 2.270 50 0 HEAAHN COc1cccc(-c2cn3c(C(=O)NCC4(O)CCN(C)CC4)csc3n2)c1 ZINC000067491188 558986937 /nfs/dbraw/zinc/98/69/37/558986937.db2.gz AMZFGCBTCQBEPB-UHFFFAOYSA-N 0 3 400.504 2.258 50 0 HEAAHN Cc1ccccc1NC(=O)N1CCN(c2cc(N3CCN(C)CC3)nc(C)n2)CC1 ZINC000067629528 558990219 /nfs/dbraw/zinc/99/02/19/558990219.db2.gz QBDNSOGEUGLXQA-UHFFFAOYSA-N 0 3 409.538 2.199 50 0 HEAAHN CCc1ccc(C(=O)N2CCC3(CN(CCN(C)CCOC)C(=O)O3)CC2)s1 ZINC000077457447 559005911 /nfs/dbraw/zinc/00/59/11/559005911.db2.gz LGCYPAGYFKVSDX-UHFFFAOYSA-N 0 3 409.552 2.316 50 0 HEAAHN CN1CCC(NC(=O)c2ccc(S(=O)(=O)NCCc3cccs3)cc2)CC1 ZINC000023129687 559018355 /nfs/dbraw/zinc/01/83/55/559018355.db2.gz CEGMLPIWDMPKHB-UHFFFAOYSA-N 0 3 407.561 2.093 50 0 HEAAHN NC(=O)c1ccc2[nH]c(CN3CCC[C@@]4(C3)c3ccccc3NC4=O)cc(=O)c2c1 ZINC000091645187 559072591 /nfs/dbraw/zinc/07/25/91/559072591.db2.gz HGTUHCPEBNRZCJ-HSZRJFAPSA-N 0 3 402.454 2.113 50 0 HEAAHN CCN(C)c1ccnc(N2CC[C@@H]3C[C@H](N4CCOCC4)CC[C@@]3(COC)C2)n1 ZINC000095358135 559079859 /nfs/dbraw/zinc/07/98/59/559079859.db2.gz OTAGPSVYENLODH-KNKQGSTJSA-N 0 3 403.571 2.277 50 0 HEAAHN CCNc1ncc(CN2CC[C@@H]3C[C@H](N4CCOCC4)CC[C@@]3(COC)C2)cn1 ZINC000095354703 559079880 /nfs/dbraw/zinc/07/98/80/559079880.db2.gz MHFKKARCIRPTSE-SJBKTWHCSA-N 0 3 403.571 2.248 50 0 HEAAHN CCCN1CCc2nc[nH]c2C12CCN(C(=O)[C@H]1CC(=O)OC13CCCC3)CC2 ZINC000096164917 559100916 /nfs/dbraw/zinc/10/09/16/559100916.db2.gz PNIOVWMKXRNYOZ-MRXNPFEDSA-N 0 3 400.523 2.371 50 0 HEAAHN COCCN1CC[C@@]2(CN(c3cccc(C(F)(F)F)n3)CCN2C)CCC1=O ZINC000107399862 559165165 /nfs/dbraw/zinc/16/51/65/559165165.db2.gz OYBQVGHPZOGJGB-GOSISDBHSA-N 0 3 400.445 2.250 50 0 HEAAHN Cc1csc(NC(=O)CSc2nc(=O)n(CCN(C)C)c3c2CCCC3)n1 ZINC000005254463 560552128 /nfs/dbraw/zinc/55/21/28/560552128.db2.gz PNAWMZCWLZMQPW-UHFFFAOYSA-N 0 3 407.565 2.179 50 0 HEAAHN C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)CCn2c3ccccc3c(=O)[nH]c2=O)C1 ZINC000109047692 568420931 /nfs/dbraw/zinc/42/09/31/568420931.db2.gz MRCZQNGIAVWYJZ-SJLPKXTDSA-N 0 3 406.486 2.032 50 0 HEAAHN CN(CCNC(=O)COc1ccc(N(C)S(=O)(=O)c2cccs2)cc1)C1CC1 ZINC000048265197 568433914 /nfs/dbraw/zinc/43/39/14/568433914.db2.gz CYKQWQAKFVNCFV-UHFFFAOYSA-N 0 3 423.560 2.162 50 0 HEAAHN COc1ccccc1N(C)S(=O)(=O)c1ccc(C(=O)NCCN(C)C2CC2)cc1 ZINC000048324656 568438466 /nfs/dbraw/zinc/43/84/66/568438466.db2.gz QXUJABPLYMQTGI-UHFFFAOYSA-N 0 3 417.531 2.344 50 0 HEAAHN Cc1ccc(CN2CCc3ncn(CC(=O)NCc4ccccc4)c(=O)c3C2)cc1 ZINC000049400899 568447586 /nfs/dbraw/zinc/44/75/86/568447586.db2.gz PEOWEEKYOGVFRX-UHFFFAOYSA-N 0 3 402.498 2.426 50 0 HEAAHN CCc1nn(CC(=O)N2CCN(C3CCCCC3)CC2)c(=O)c2cc3occc3n21 ZINC000020416703 568606167 /nfs/dbraw/zinc/60/61/67/568606167.db2.gz PUTDEDHMDJMRMW-UHFFFAOYSA-N 0 3 411.506 2.282 50 0 HEAAHN CN(C)CCN(Cc1ccc(F)cc1)C(=O)NCCc1nnc2n1CCCCC2 ZINC000056828169 568818155 /nfs/dbraw/zinc/81/81/55/568818155.db2.gz POJZNVZJCDSAIX-UHFFFAOYSA-N 0 3 402.518 2.460 50 0 HEAAHN O=C(N[C@H]1C2CN3CC1(c1ccccc1)CN(C2)CC3)c1cnc2c(c1)CCCC2 ZINC000670438656 568884587 /nfs/dbraw/zinc/88/45/87/568884587.db2.gz AEBWUHZYPMEVHT-KOXWRSSLSA-N 0 3 402.542 2.258 50 0 HEAAHN COc1ccc([C@H]2[C@H](C(=O)NCCN(C)C)c3ccccc3C(=O)N2C)cc1OC ZINC000003661109 568923625 /nfs/dbraw/zinc/92/36/25/568923625.db2.gz NYHXRKIRWTWIRQ-RTWAWAEBSA-N 0 3 411.502 2.292 50 0 HEAAHN CN(C)[C@@H](CNC(=O)c1ccc(S(=O)(=O)NC2CC2)cc1)Cc1ccccc1 ZINC000012922106 569023129 /nfs/dbraw/zinc/02/31/29/569023129.db2.gz QXIBIJYALAVCSW-LJQANCHMSA-N 0 3 401.532 2.030 50 0 HEAAHN CC[C@@](C)(NCCc1c[nH]c2ccccc12)c1nnnn1CCCN1CCOCC1 ZINC000575443630 569028472 /nfs/dbraw/zinc/02/84/72/569028472.db2.gz FEKXQIAFCVPZOE-JOCHJYFZSA-N 0 3 411.554 2.334 50 0 HEAAHN CCN(CC)S(=O)(=O)c1ccc2c(cc(C(=O)NCCN3CCCC3)n2C)c1 ZINC000035561074 569044950 /nfs/dbraw/zinc/04/49/50/569044950.db2.gz AFJOXHGKHQJCSO-UHFFFAOYSA-N 0 3 406.552 2.034 50 0 HEAAHN O=C(NCCN1CCCCC1)[C@H](C1CCCC1)N1CCN(C(=O)C2CCCC2)CC1 ZINC000036255042 569120267 /nfs/dbraw/zinc/12/02/67/569120267.db2.gz VBHLUDLBURTHMZ-QFIPXVFZSA-N 0 3 418.626 2.482 50 0 HEAAHN CN1CCC(NC(=O)c2ccc3c(c2)N(S(=O)(=O)c2ccccc2F)CC3)CC1 ZINC000065210617 569196321 /nfs/dbraw/zinc/19/63/21/569196321.db2.gz GKRMLOPZMFSHOD-UHFFFAOYSA-N 0 3 417.506 2.401 50 0 HEAAHN O=C(Nc1cnc2c(c1)CNCC2)[C@@H]1CCN(c2ccccc2Br)C1=O ZINC000170591583 569240582 /nfs/dbraw/zinc/24/05/82/569240582.db2.gz BRAHLKWWJLLQKQ-AWEZNQCLSA-N 0 3 415.291 2.481 50 0 HEAAHN CN(CCN(C(=O)c1ccc2c(c1)C(=O)N(C[C@H]1CCCO1)C2=O)C1CC1)C1CC1 ZINC000170606120 569244448 /nfs/dbraw/zinc/24/44/48/569244448.db2.gz ISQXRBWYWJLBNZ-GOSISDBHSA-N 0 3 411.502 2.160 50 0 HEAAHN CCN1CCC(NC(=S)Nc2sc(C(=O)N(C)C)c(C)c2C(=O)OC)CC1 ZINC000013783958 569257612 /nfs/dbraw/zinc/25/76/12/569257612.db2.gz WZWMFJAPESIBJS-UHFFFAOYSA-N 0 3 412.581 2.316 50 0 HEAAHN C[C@@H]1C[C@H](C)CN(CC(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)C1 ZINC000007788206 569310521 /nfs/dbraw/zinc/31/05/21/569310521.db2.gz SHJCDYJTNZJFGC-IYBDPMFKSA-N 0 3 413.971 2.151 50 0 HEAAHN O=C(c1ccccn1)N1CCC2(CC1)C[C@H](N1CCN(c3ccccn3)CC1)CCO2 ZINC000581819779 569320689 /nfs/dbraw/zinc/32/06/89/569320689.db2.gz KOTOULNNJFSCCB-HXUWFJFHSA-N 0 3 421.545 2.453 50 0 HEAAHN O=C(C1[C@@H](c2ccc3c(c2)OCO3)NC(=O)N[C@@]1(O)c1cccs1)C(F)(F)F ZINC000027754365 569393081 /nfs/dbraw/zinc/39/30/81/569393081.db2.gz KEGGPBFDMJKGQM-XJKCOSOUSA-N 0 3 414.361 2.424 50 0 HEAAHN CO[C@]1(C)CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CN4CCC5(CC4)OCCO5)[C@H]3C[C@@]21O ZINC000012661502 569402589 /nfs/dbraw/zinc/40/25/89/569402589.db2.gz NWQKPLHTFSPSHT-OCGYWYMHSA-N 0 3 423.550 2.103 50 0 biogenic HEAAHN COCCC[N@H+](C)CCNC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000078875236 569421126 /nfs/dbraw/zinc/42/11/26/569421126.db2.gz IXPBIRDAKACRSR-UHFFFAOYSA-N 0 3 423.510 2.325 50 0 HEAAHN COCCC[N@@H+](C)CCNC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000078875236 569421128 /nfs/dbraw/zinc/42/11/28/569421128.db2.gz IXPBIRDAKACRSR-UHFFFAOYSA-N 0 3 423.510 2.325 50 0 HEAAHN CCOC(=O)C1=C(CN2CCCN(C)CC2)NC(=O)N[C@@H]1c1ccc(SC)cc1 ZINC000067287055 571064877 /nfs/dbraw/zinc/06/48/77/571064877.db2.gz LNMRRGWCXKMBDO-LJQANCHMSA-N 0 3 418.563 2.217 50 0 HEAAHN CN1CCN(CCCCNC(=O)c2ccc(I)cc2)CC1 ZINC000040089145 571159129 /nfs/dbraw/zinc/15/91/29/571159129.db2.gz MVHXREVIKOAOIY-UHFFFAOYSA-N 0 3 401.292 2.049 50 0 HEAAHN COCCO[C@@H]1CN(C2CCN(C(=O)c3cc(C)n(C)n3)CC2)C12CCCCC2 ZINC000581802468 1078772419 /nfs/dbraw/zinc/77/24/19/1078772419.db2.gz KPSDMTXPZKXBIS-HXUWFJFHSA-N 0 3 404.555 2.383 50 0 HEAAHN COCc1nnc([C@@H]2CC3(CN2C)CCN(C(=O)CN2CCCCCC2)CC3)o1 ZINC000581802917 1078772502 /nfs/dbraw/zinc/77/25/02/1078772502.db2.gz RCUMQGWCSKWXQC-KRWDZBQOSA-N 0 3 405.543 2.077 50 0 HEAAHN CN1CCCN(C(=O)CN2C(=O)[C@@H](Oc3ccc(F)cc3)C23CCCCC3)CC1 ZINC000581803290 1078780052 /nfs/dbraw/zinc/78/00/52/1078780052.db2.gz SSUZETOPZPSCHM-HXUWFJFHSA-N 0 3 403.498 2.282 50 0 HEAAHN CNC(=O)[C@@H]1C[C@H](Oc2ccccc2)CN1C1CCN(Cc2cccc(OC)n2)CC1 ZINC000575550960 1076345097 /nfs/dbraw/zinc/34/50/97/1076345097.db2.gz BEFLDGUTHHVNGT-VXKWHMMOSA-N 0 3 424.545 2.323 50 0 HEAAHN CCOC(=O)[C@H]1C(=O)N=C(N2CCN(c3ccccc3)CC2)N[C@H]1c1ccccc1 ZINC000002227472 132249997 /nfs/dbraw/zinc/24/99/97/132249997.db2.gz GJZQWFUJWDYITH-UXHICEINSA-N 0 3 406.486 2.215 50 0 HEAAHN COc1ccc([C@H](CNC(=O)CN2C(=O)COc3ccccc32)N2CCCC2)cc1 ZINC000008776281 132333224 /nfs/dbraw/zinc/33/32/24/132333224.db2.gz VFJGCFVGXSYFKZ-FQEVSTJZSA-N 0 3 409.486 2.374 50 0 HEAAHN CC(=O)N1CCC[C@H](C(=O)NCCCCN2CCN(c3cccc(C)c3)CC2)C1 ZINC000032915298 519550286 /nfs/dbraw/zinc/55/02/86/519550286.db2.gz MCUKHTCKKNMHIS-NRFANRHFSA-N 0 3 400.567 2.272 50 0 HEAAHN C[N@H+](CCC[N-]S(=O)(=O)c1ccc(-c2ccc(=O)[nH]n2)s1)Cc1ccccc1 ZINC000020574771 522773669 /nfs/dbraw/zinc/77/36/69/522773669.db2.gz CXHSEJDISBFVMU-UHFFFAOYSA-N 0 3 418.544 2.299 50 0 HEAAHN C[N@@H+](CCC[N-]S(=O)(=O)c1ccc(-c2ccc(=O)[nH]n2)s1)Cc1ccccc1 ZINC000020574771 522773675 /nfs/dbraw/zinc/77/36/75/522773675.db2.gz CXHSEJDISBFVMU-UHFFFAOYSA-N 0 3 418.544 2.299 50 0 HEAAHN COc1ccc(C(=O)NCCN(C)C)cc1OC1CCN(C(=O)CC2CC2)CC1 ZINC000020201819 523697123 /nfs/dbraw/zinc/69/71/23/523697123.db2.gz KEGKPDRYIOSREL-UHFFFAOYSA-N 0 3 403.523 2.157 50 0 HEAAHN CN1CCN(CCCNC(=O)c2cnn(-c3ccc(F)cc3)c2-n2cccc2)CC1 ZINC000020559371 523898380 /nfs/dbraw/zinc/89/83/80/523898380.db2.gz LEPFSMZMNYPAON-UHFFFAOYSA-N 0 3 410.497 2.169 50 0 HEAAHN CCc1ccc([C@H](CNC(=O)c2cnc3c(c2)c(=O)[nH]c(=O)n3C2CC2)N(C)C)cc1 ZINC000032734778 524049075 /nfs/dbraw/zinc/04/90/75/524049075.db2.gz UZPRZPDRFUWRTP-IBGZPJMESA-N 0 3 421.501 2.015 50 0 HEAAHN O=C(NCCc1nnc2n1CCN(Cc1ccc3ccccc3c1)CC2)[C@H]1CCCO1 ZINC000019741491 558262015 /nfs/dbraw/zinc/26/20/15/558262015.db2.gz OCOMGZYIXHHSQN-OAQYLSRUSA-N 0 3 419.529 2.327 50 0 HEAAHN COc1ccc(CCN(C)[C@H]2CCCN(S(=O)(=O)c3cccnc3)C2)cc1OC ZINC000011668217 558269983 /nfs/dbraw/zinc/26/99/83/558269983.db2.gz CLBJVGSQSFZIPN-SFHVURJKSA-N 0 3 419.547 2.426 50 0 HEAAHN COc1ccccc1-c1ccnc(-n2ncc(C(=O)N3CC[C@@H](N(C)C)C3)c2C)n1 ZINC000011783596 558275478 /nfs/dbraw/zinc/27/54/78/558275478.db2.gz PNEGROOKTSOHQW-MRXNPFEDSA-N 0 3 406.490 2.422 50 0 HEAAHN Cc1ccc(CN2CCc3nnc([C@H](C)NC(=O)C4CCOCC4)n3CC2)s1 ZINC000020326023 558355672 /nfs/dbraw/zinc/35/56/72/558355672.db2.gz ZIJBJRBLGGDNDY-HNNXBMFYSA-N 0 3 403.552 2.310 50 0 HEAAHN CCN1CCN(C2CCN(Cc3nc(-c4ccc(C(=O)OC)cc4)no3)CC2)CC1 ZINC000020453918 558367716 /nfs/dbraw/zinc/36/77/16/558367716.db2.gz GDQBPIATRAEGGE-UHFFFAOYSA-N 0 3 413.522 2.125 50 0 HEAAHN COc1cccc(OC[C@H](O)CNCc2c(C(=O)N3CCCC3)nc3ccccn32)c1 ZINC000012430782 558405448 /nfs/dbraw/zinc/40/54/48/558405448.db2.gz GZTWBAOFTVFQOT-QGZVFWFLSA-N 0 3 424.501 2.108 50 0 HEAAHN COc1ccc(CNCc2cn(C)nc2C)cc1OC[C@@H](O)CN1CCCCC1 ZINC000012453412 558416354 /nfs/dbraw/zinc/41/63/54/558416354.db2.gz HPTOHMXBMUWZRR-FQEVSTJZSA-N 0 3 402.539 2.253 50 0 HEAAHN COCCC(=O)N[C@H](C)c1nnc2n1CCN(Cc1ccc3cccnc3c1)CC2 ZINC000020907034 558421359 /nfs/dbraw/zinc/42/13/59/558421359.db2.gz YNDBGNZQESOGFO-MRXNPFEDSA-N 0 3 408.506 2.098 50 0 HEAAHN Cc1ccccc1-c1nc(SCCN2CCCC2)c2c(=O)n(C)c(=O)n(C)c2n1 ZINC000004341311 558424969 /nfs/dbraw/zinc/42/49/69/558424969.db2.gz SRXFFGZBDQAZRD-UHFFFAOYSA-N 0 3 411.531 2.191 50 0 HEAAHN COc1cc(CNCc2ccccc2)ccc1OC[C@H](O)CN1CCC(O)CC1 ZINC000012593122 558436426 /nfs/dbraw/zinc/43/64/26/558436426.db2.gz QOKJNZXDOGMZLA-OAQYLSRUSA-N 0 3 400.519 2.181 50 0 HEAAHN Cc1cccc(NC(=O)N2CCN(c3cc(N4CCN(C)CC4)nc(C)n3)CC2)c1 ZINC000021795708 558449545 /nfs/dbraw/zinc/44/95/45/558449545.db2.gz XIVWXZCOFNTSHZ-UHFFFAOYSA-N 0 3 409.538 2.199 50 0 HEAAHN Cc1ccc(NC(=O)N2CCN(c3cc(N4CCN(C)CC4)nc(C)n3)CC2)cc1 ZINC000021795722 558449578 /nfs/dbraw/zinc/44/95/78/558449578.db2.gz ANJWLTVQVHIKMV-UHFFFAOYSA-N 0 3 409.538 2.199 50 0 HEAAHN CN(CC1CCN(CCc2ccccc2F)CC1)C(=O)[C@@H]1CCCN(C(N)=O)C1 ZINC000012761364 558461161 /nfs/dbraw/zinc/46/11/61/558461161.db2.gz UVILLAMIOAEVQM-LJQANCHMSA-N 0 3 404.530 2.329 50 0 HEAAHN CCCCN(C(=O)CN[C@@H](C)c1ccccc1)c1c(N)n(CCCC)c(=O)[nH]c1=O ZINC000013068877 558510646 /nfs/dbraw/zinc/51/06/46/558510646.db2.gz DMXVYRDKAQYXRL-INIZCTEOSA-N 0 3 415.538 2.403 50 0 HEAAHN CN(Cc1ccccc1)C(=O)c1nc2ccccn2c1CNCCN1CCOCC1 ZINC000022913554 558520463 /nfs/dbraw/zinc/52/04/63/558520463.db2.gz VOOPRKWCLYJLMV-UHFFFAOYSA-N 0 3 407.518 2.028 50 0 HEAAHN CN(C)[C@@H](CNC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1)Cc1ccccc1 ZINC000024551726 558601039 /nfs/dbraw/zinc/60/10/39/558601039.db2.gz MJXCDTOUIOPLSU-IEBWSBKVSA-N 0 3 409.486 2.057 50 0 HEAAHN C[C@H](C1CC1)N(CC(=O)NCCc1ccc(S(N)(=O)=O)cc1)Cc1ccccc1 ZINC000024673398 558607249 /nfs/dbraw/zinc/60/72/49/558607249.db2.gz HLEVACHMTBNWDY-QGZVFWFLSA-N 0 3 415.559 2.293 50 0 HEAAHN CCOC(=O)C1C(CN(CC)CC)=NC(=O)N[C@@H]1c1ccc(OC)c(COC)c1 ZINC000013960831 558608756 /nfs/dbraw/zinc/60/87/56/558608756.db2.gz WXWKSULAGSVHDH-LJQANCHMSA-N 0 3 405.495 2.355 50 0 HEAAHN C[C@H](C1CC1)N(C)CC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1 ZINC000024774627 558612446 /nfs/dbraw/zinc/61/24/46/558612446.db2.gz DQBDBICYVJCFKF-QGZVFWFLSA-N 0 3 419.591 2.129 50 0 HEAAHN CCN1CCN(c2ccc(NC(=O)CCN3C(=O)[C@@H]4CC=CC[C@H]4C3=O)cc2C)CC1 ZINC000024970517 558623009 /nfs/dbraw/zinc/62/30/09/558623009.db2.gz DTSDTHGDMBBZOI-WOJBJXKFSA-N 0 3 424.545 2.417 50 0 HEAAHN CCCn1nc(C(=O)N2CCN(C)CC2)c2c1CC[C@@H](NCc1ccccc1F)C2 ZINC000014732007 558665627 /nfs/dbraw/zinc/66/56/27/558665627.db2.gz MKRFSYQHXNAESC-GOSISDBHSA-N 0 3 413.541 2.467 50 0 HEAAHN COCCN1C(=O)N(CCc2ccc(OC)cc2)C2(CCN(C(C)C)CC2)C1=O ZINC000014733642 558666390 /nfs/dbraw/zinc/66/63/90/558666390.db2.gz NFRXBEDEXDVSFL-UHFFFAOYSA-N 0 3 403.523 2.391 50 0 HEAAHN COc1ccc2cc(CNC[C@@H](O)CO)c(=O)n(Cc3ccccc3Cl)c2c1 ZINC000014954347 558681859 /nfs/dbraw/zinc/68/18/59/558681859.db2.gz MADLJUGUJXBWRL-QGZVFWFLSA-N 0 3 402.878 2.155 50 0 HEAAHN COc1cc(CN2CCC3(C[C@H]3C(=O)N3CCCN(C)CC3)CC2)cc(OC)c1 ZINC000014964106 558685123 /nfs/dbraw/zinc/68/51/23/558685123.db2.gz PDDWCQBJXUAXCA-NRFANRHFSA-N 0 3 401.551 2.470 50 0 HEAAHN CCc1ccc(CN2CCc3nnc([C@H](NS(C)(=O)=O)C(C)C)n3CC2)cc1 ZINC000014995156 558695877 /nfs/dbraw/zinc/69/58/77/558695877.db2.gz WBIVBVUTTXAYNE-LJQANCHMSA-N 0 3 405.568 2.145 50 0 HEAAHN CCN1CCN(CCCNC(=O)C2CCN(c3nc4cccnc4s3)CC2)CC1 ZINC000022937547 558725565 /nfs/dbraw/zinc/72/55/65/558725565.db2.gz UHBKWDWZAUDOQU-UHFFFAOYSA-N 0 3 416.595 2.052 50 0 HEAAHN CCN1CCN(CCCNC(=O)[C@H]2Cc3ccccc3N2C(=O)c2ccccc2)CC1 ZINC000022937717 558726080 /nfs/dbraw/zinc/72/60/80/558726080.db2.gz KYZSZFMSMCYPKX-HSZRJFAPSA-N 0 3 420.557 2.402 50 0 HEAAHN CC1CCN([C@H](CNC(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)c2cccs2)CC1 ZINC000032983110 558804032 /nfs/dbraw/zinc/80/40/32/558804032.db2.gz SITIXVMZQCTNLC-QGZVFWFLSA-N 0 3 412.515 2.481 50 0 HEAAHN COc1ccc(C2=NN(CC(=O)NCCN(C)Cc3ccccc3)C(=O)CC2)cc1 ZINC000004712556 558917812 /nfs/dbraw/zinc/91/78/12/558917812.db2.gz JWPNICGWCJMRKH-UHFFFAOYSA-N 0 3 408.502 2.270 50 0 HEAAHN CCS(=O)(=O)N1CCC[C@H](C(=O)Nc2ccc(OC3CCN(C)CC3)cc2)C1 ZINC000065362489 558973228 /nfs/dbraw/zinc/97/32/28/558973228.db2.gz WNYUUIWEEZZACN-INIZCTEOSA-N 0 3 409.552 2.160 50 0 HEAAHN Cc1nc(N(C)C)cc(N2CCN(C(=O)c3cccc(Oc4ncccn4)c3)CC2)n1 ZINC000072441749 558982012 /nfs/dbraw/zinc/98/20/12/558982012.db2.gz FZHDMCTVRKSHEO-UHFFFAOYSA-N 0 3 419.489 2.396 50 0 HEAAHN Cc1nc(N2CCCC2)cc(N2CCN(S(=O)(=O)c3ccc(F)c(F)c3)CC2)n1 ZINC000067629724 558990294 /nfs/dbraw/zinc/99/02/94/558990294.db2.gz BSLDGAQUTILEBM-UHFFFAOYSA-N 0 3 423.489 2.174 50 0 HEAAHN CC[C@H](N)C(=O)N1CCc2ccc(S(=O)(=O)N3CCCc4ccccc43)cc2C1 ZINC000077378318 559002872 /nfs/dbraw/zinc/00/28/72/559002872.db2.gz GMIGRRRWYVCAGH-FQEVSTJZSA-N 0 3 413.543 2.450 50 0 HEAAHN COc1ccc(NC(=O)C(=O)NCC2CCN(Cc3ccco3)CC2)cc1OC ZINC000023127492 559015904 /nfs/dbraw/zinc/01/59/04/559015904.db2.gz OXIPDXHOJQLGJZ-UHFFFAOYSA-N 0 3 401.463 2.264 50 0 HEAAHN CCC(=O)N1CCCC[C@H](NC(=O)CCN2CCN(c3cccc(C)c3)CC2)C1 ZINC000082115972 559039220 /nfs/dbraw/zinc/03/92/20/559039220.db2.gz ONWWLLASCFJNRY-FQEVSTJZSA-N 0 3 400.567 2.414 50 0 HEAAHN CCCn1ncc(C(=O)N2CCC3(CCC(=O)N([C@@H]4CCN(C)C4)C3)CC2)c1C ZINC000095509502 559083697 /nfs/dbraw/zinc/08/36/97/559083697.db2.gz KJSFWNOHTBHZNL-GOSISDBHSA-N 0 3 401.555 2.150 50 0 HEAAHN COc1cccc(NC(=O)CSc2nc(=O)n(CCN(C)C)c3c2CCC3)c1 ZINC000004851651 559191231 /nfs/dbraw/zinc/19/12/31/559191231.db2.gz QOJQKEDSWRICJY-UHFFFAOYSA-N 0 3 402.520 2.033 50 0 HEAAHN CSCC[C@H](N)C(=O)NC[C@H]1CC[C@H](C(=O)Nc2ccc3c(c2)OCO3)CC1 ZINC000248094038 559262428 /nfs/dbraw/zinc/26/24/28/559262428.db2.gz WNZLJUQGEOKOJG-DZKIICNBSA-N 0 3 407.536 2.357 50 0 biogenic HEAAHN Cc1ncoc1C(=O)N1CCC2(CC1)C[C@@H](N1CCN(CC(C)C)CC1)CCO2 ZINC000575555318 560855591 /nfs/dbraw/zinc/85/55/91/560855591.db2.gz AHSUNGYLURJURK-IBGZPJMESA-N 0 3 404.555 2.410 50 0 HEAAHN Cn1cccc1C(=O)N1CCC2(CC1)C[C@H](N1CCN(c3ccccn3)CC1)CCO2 ZINC000575317046 560855617 /nfs/dbraw/zinc/85/56/17/560855617.db2.gz QHMBFGHXLCBPHP-HXUWFJFHSA-N 0 3 423.561 2.396 50 0 HEAAHN COc1cccc(NC(=O)C2CC(=O)Nc3c2c(=O)[nH]c(=O)n3CCC(C)C)c1 ZINC000049551693 568452060 /nfs/dbraw/zinc/45/20/60/568452060.db2.gz VIYQVSLDSIGQSH-CQSZACIVSA-N 0 3 400.435 2.305 50 0 HEAAHN Cc1cccc([S@](=O)Cc2ccc(C(=O)NCCCN3CCN(C)CC3)o2)c1 ZINC000020514520 568622449 /nfs/dbraw/zinc/62/24/49/568622449.db2.gz JFNAVYRGKIIKCG-NDEPHWFRSA-N 0 3 403.548 2.263 50 0 HEAAHN C[C@@H](CC[N-]S(=O)(=O)c1ccc(-c2ccc(=O)[nH]n2)s1)[NH+]1CCCCCC1 ZINC000020985046 568655162 /nfs/dbraw/zinc/65/51/62/568655162.db2.gz YVYZEXHWOVMDOM-AWEZNQCLSA-N 0 3 410.565 2.431 50 0 HEAAHN COc1cc(CNC[C@@H]2CN(C(=O)c3ccccc3)[C@H]3CCN2C3)cc2c1OCO2 ZINC000095981109 568675366 /nfs/dbraw/zinc/67/53/66/568675366.db2.gz YSJIUISDTNRJSJ-RBUKOAKNSA-N 0 3 409.486 2.112 50 0 HEAAHN CCN1CCC[C@H](CNS(=O)(=O)c2ccc(CCNC(=O)C(C)(C)C)s2)C1 ZINC000095983265 568675593 /nfs/dbraw/zinc/67/55/93/568675593.db2.gz QHWXWQSNQZDZEK-OAHLLOKOSA-N 0 3 415.625 2.463 50 0 HEAAHN CCN1CCN(CCCNC(=O)c2cccc(-n3c(C)nc4cccnc43)c2)CC1 ZINC000021530201 568710615 /nfs/dbraw/zinc/71/06/15/568710615.db2.gz BGIJRBLYJAWPRN-UHFFFAOYSA-N 0 3 406.534 2.486 50 0 HEAAHN O=C(NC1CCN(Cc2ccccc2)CC1)c1nnn2c1c(=O)[nH]c1ccccc12 ZINC000096397368 568746329 /nfs/dbraw/zinc/74/63/29/568746329.db2.gz WLZPZYAFHZFNNR-UHFFFAOYSA-N 0 3 402.458 2.378 50 0 HEAAHN OCCN(C[C@H](O)Cn1ccc2ccccc21)C[C@H](O)Cn1ccc2ccccc21 ZINC000002707531 568801906 /nfs/dbraw/zinc/80/19/06/568801906.db2.gz FWGHSGUHZNFIPN-VXKWHMMOSA-N 0 3 407.514 2.312 50 0 HEAAHN COc1cc(CNCc2ccccc2C)ccc1OC[C@H](O)CN1CCC(O)CC1 ZINC000012471590 568838513 /nfs/dbraw/zinc/83/85/13/568838513.db2.gz KCLLVDDBOMBBBK-JOCHJYFZSA-N 0 3 414.546 2.490 50 0 HEAAHN CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)CNC1CCC(O)CC1 ZINC000012595652 568868953 /nfs/dbraw/zinc/86/89/53/568868953.db2.gz WPDCTKNDCMIHRT-UHFFFAOYSA-N 0 3 421.538 2.152 50 0 HEAAHN Cc1ccn(CCN2CCC(N3C[C@@H](COc4ccc(F)cc4)OCC3=O)CC2)n1 ZINC000299760273 568873232 /nfs/dbraw/zinc/87/32/32/568873232.db2.gz IRHRLTNENBIIBT-NRFANRHFSA-N 0 3 416.497 2.101 50 0 HEAAHN COCCN1C[C@H](CN2CCC(O)(c3cccc(C(F)(F)F)c3)CC2)CC1=O ZINC000299791152 568875822 /nfs/dbraw/zinc/87/58/22/568875822.db2.gz CRVVCLUPSYLSPB-HNNXBMFYSA-N 0 3 400.441 2.484 50 0 HEAAHN CN(C(=O)[C@@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O)C1CCN(C)CC1 ZINC000003328016 568881535 /nfs/dbraw/zinc/88/15/35/568881535.db2.gz GHVFHEQECPVTGG-OAQYLSRUSA-N 0 3 405.498 2.447 50 0 HEAAHN COc1ccccc1CCC(=O)N[C@@H]1C2CN3CC1(c1ccccc1)CN(C2)CC3 ZINC000670452071 568927153 /nfs/dbraw/zinc/92/71/53/568927153.db2.gz LDAZDLZEDYZQRG-FMGHMSBISA-N 0 3 405.542 2.312 50 0 HEAAHN CO[C@]1(C)CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN4CCC5(CC4)OCCO5)[C@H]3C[C@]21O ZINC000004042129 568935862 /nfs/dbraw/zinc/93/58/62/568935862.db2.gz NWQKPLHTFSPSHT-HAEXGWGOSA-N 0 3 423.550 2.103 50 0 biogenic HEAAHN CC(=O)N1CCC(NCc2ccc(-c3ccc(S(=O)(=O)N(C)C)cc3)o2)CC1 ZINC000012809560 568979971 /nfs/dbraw/zinc/97/99/71/568979971.db2.gz WNZJLAMIAXAHHH-UHFFFAOYSA-N 0 3 405.520 2.297 50 0 HEAAHN NC(=O)[C@H]1CCCN(CCCNS(=O)(=O)c2cccc3cccc(Cl)c32)C1 ZINC000670470917 568998205 /nfs/dbraw/zinc/99/82/05/568998205.db2.gz BJBFNZJOXBXJME-HNNXBMFYSA-N 0 3 409.939 2.359 50 0 HEAAHN COc1ccc(OCC(=O)NCc2c3c(c(OC)c4c2CCN(C)C4)OCO3)cc1 ZINC000012897901 569020432 /nfs/dbraw/zinc/02/04/32/569020432.db2.gz KUOLBZKWSSLNGT-UHFFFAOYSA-N 0 3 414.458 2.116 50 0 biogenic HEAAHN CN1CCC(NCCc2c[nH]c3ccccc23)(c2nnnn2Cc2cccnc2)CC1 ZINC000575443924 569028535 /nfs/dbraw/zinc/02/85/35/569028535.db2.gz XUHBJHDTNUZUDJ-UHFFFAOYSA-N 0 3 416.533 2.351 50 0 HEAAHN C[C@H](C(=O)NCCN1CCCCC1)C1CCN(S(=O)(=O)c2cccs2)CC1 ZINC000035459749 569038159 /nfs/dbraw/zinc/03/81/59/569038159.db2.gz UCAWJXSEHNOEHS-INIZCTEOSA-N 0 3 413.609 2.387 50 0 HEAAHN CN(C)[C@@H](CNC(=O)C1CCN(S(C)(=O)=O)CC1)c1csc2ccccc21 ZINC000575620569 569038877 /nfs/dbraw/zinc/03/88/77/569038877.db2.gz LAGGHNHHSYZBPO-KRWDZBQOSA-N 0 3 409.577 2.292 50 0 HEAAHN C[C@H]1CCCN1C(=O)CCN1CCCC[C@H]1CNC(=O)CCNC(=O)OC(C)(C)C ZINC000225328344 569039864 /nfs/dbraw/zinc/03/98/64/569039864.db2.gz YZNYCCKMSMJLHZ-ROUUACIJSA-N 0 3 424.586 2.273 50 0 HEAAHN CN1CCN(c2ccccc2NC(=O)N2CCCC[C@H](N3CCN(C)CC3)C2)CC1 ZINC000089382793 569058838 /nfs/dbraw/zinc/05/88/38/569058838.db2.gz QTRVALKNWRMIJX-FQEVSTJZSA-N 0 3 414.598 2.072 50 0 HEAAHN Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1CNC[C@H](Cc1ccccc1)N(C)C ZINC000089512565 569062162 /nfs/dbraw/zinc/06/21/62/569062162.db2.gz SHMHSAIGIFTFGN-UXHICEINSA-N 0 3 404.580 2.122 50 0 HEAAHN O=C(Cn1c(=O)c2cccn2c2cccnc21)NC1CCN(Cc2ccccc2)CC1 ZINC000006797241 569125183 /nfs/dbraw/zinc/12/51/83/569125183.db2.gz LVNOYTYJFLLYEZ-UHFFFAOYSA-N 0 3 415.497 2.430 50 0 HEAAHN COc1ccc(-n2cnc3cc(C(=O)NCCN(C)C)ccc3c2=O)cc1Cl ZINC000036358347 569149643 /nfs/dbraw/zinc/14/96/43/569149643.db2.gz AHDSNLMXDAJLLF-UHFFFAOYSA-N 0 3 400.866 2.339 50 0 HEAAHN CCCN(CCC)CCNC(=O)c1nn(C)c2c1CS(=O)(=O)c1ccccc1-2 ZINC000006839676 569150386 /nfs/dbraw/zinc/15/03/86/569150386.db2.gz RMZBABLLCFLBMD-UHFFFAOYSA-N 0 3 404.536 2.226 50 0 HEAAHN CCO[C@@H]1C[C@@H](N[C@@H](C)C(=O)N2CCN(c3ncccn3)CC2)C12CCCCC2 ZINC000170616780 569247545 /nfs/dbraw/zinc/24/75/45/569247545.db2.gz UHSAGZRJQGGJMZ-IPMKNSEASA-N 0 3 401.555 2.231 50 0 HEAAHN O=C(C[C@H]1NC(=O)N(Cc2ccco2)C1=O)NC1CCN(Cc2ccccc2)CC1 ZINC000252549450 569294043 /nfs/dbraw/zinc/29/40/43/569294043.db2.gz RFOCGFDKDOBFDE-LJQANCHMSA-N 0 3 410.474 2.075 50 0 HEAAHN CCCS(=O)(=O)N1CCC2(CC1)C[C@H](N1CCN(CC(C)C)CC1)CCO2 ZINC000581819845 569321031 /nfs/dbraw/zinc/32/10/31/569321031.db2.gz OMCDHLWNJPGAMH-LJQANCHMSA-N 0 3 401.617 2.013 50 0 HEAAHN C[C@H]1CN(CCCCNC(=O)Nc2cccc(Cn3cccnc3=O)c2)C[C@H](C)O1 ZINC000079064322 569426372 /nfs/dbraw/zinc/42/63/72/569426372.db2.gz NOPHDCGSYIYBMG-ROUUACIJSA-N 0 3 413.522 2.303 50 0 HEAAHN Cn1ccc2c1cccc2C(=O)N[C@H]1C2CN3CC1(c1ccccc1)CN(C2)CC3 ZINC000670473490 571101912 /nfs/dbraw/zinc/10/19/12/571101912.db2.gz HKFIASCYGVXGFG-JXHKIWKSSA-N 0 3 400.526 2.476 50 0 HEAAHN C[C@H](NS(=O)(=O)c1ccccc1)C(=O)NCC(C)(C)N1CCc2ccccc2C1 ZINC000040080547 571155846 /nfs/dbraw/zinc/15/58/46/571155846.db2.gz LGHMUFUPTOSVEC-KRWDZBQOSA-N 0 3 415.559 2.307 50 0 HEAAHN CCN1CCN(CCCNC(=O)[C@@H](NC(=O)c2ccccc2Cl)C(C)C)CC1 ZINC000040089508 571159385 /nfs/dbraw/zinc/15/93/85/571159385.db2.gz NIIBLWOZKMYJSZ-IBGZPJMESA-N 0 3 408.974 2.238 50 0 HEAAHN COc1cccc([C@H](CNC(=O)Cn2cnc3ccccc3c2=O)N2CCCC2)c1 ZINC000009952674 571291588 /nfs/dbraw/zinc/29/15/88/571291588.db2.gz FNARHYOJMMJLGZ-NRFANRHFSA-N 0 3 406.486 2.358 50 0 HEAAHN CC(C)[C@@H](CNC(=O)COc1ccc(CC(N)=O)cc1)N1CCc2ccccc2C1 ZINC000071831121 571302616 /nfs/dbraw/zinc/30/26/16/571302616.db2.gz MWYUBTOJYMCNGC-JOCHJYFZSA-N 0 3 409.530 2.292 50 0 HEAAHN CN1c2ccccc2[C@]2(C1=O)[C@@H](C(=O)NCc1ccc3c(c1)OCO3)C[C@H]1CCCN12 ZINC000057992547 571315465 /nfs/dbraw/zinc/31/54/65/571315465.db2.gz JHDICUUHRMEMBU-BUKPSGGLSA-N 0 3 419.481 2.388 50 0 HEAAHN CN1CC2(C[C@H]1C(=O)N1CCOCC1)CCN(C(=O)c1nccc3ccccc31)CC2 ZINC000581802671 1078772535 /nfs/dbraw/zinc/77/25/35/1078772535.db2.gz MOILPBIZXCMKSG-FQEVSTJZSA-N 0 3 422.529 2.020 50 0 HEAAHN CCN1CCN(CCCNC(=O)CC2CCN(C(=O)c3ccc(C)cc3)CC2)CC1 ZINC000032974203 521679727 /nfs/dbraw/zinc/67/97/27/521679727.db2.gz BRERBEKAKJGAKO-UHFFFAOYSA-N 0 3 414.594 2.381 50 0 HEAAHN CCN1CCN(CCCNS(=O)(=O)c2ccc(C)cc2Br)CC1 ZINC000032916511 521682038 /nfs/dbraw/zinc/68/20/38/521682038.db2.gz XWKKBTMZSSEUIV-UHFFFAOYSA-N 0 3 404.374 2.063 50 0 HEAAHN CCN1CCN(c2ccc(NC(=O)[C@H](Cc3ccccc3)NC(N)=O)cc2C)CC1 ZINC000032843061 521698995 /nfs/dbraw/zinc/69/89/95/521698995.db2.gz TWJKJIJUAFGVCS-FQEVSTJZSA-N 0 3 409.534 2.355 50 0 HEAAHN COc1cccc(CN2CCC[C@@]3(CCN(c4cc(C)nc(N)n4)C3)C2=O)c1OC ZINC000072135374 525940586 /nfs/dbraw/zinc/94/05/86/525940586.db2.gz DDIYCXAOPBCRQI-QFIPXVFZSA-N 0 3 411.506 2.404 50 0 HEAAHN CCN(C[C@@H]1CCCN(CCc2cccc(OC)c2)C1)C(=O)CN1CCC(O)CC1 ZINC000011879974 558294725 /nfs/dbraw/zinc/29/47/25/558294725.db2.gz BAHRBXSYQLNTBF-OAQYLSRUSA-N 0 3 417.594 2.255 50 0 HEAAHN COc1cc(CNCc2cccc(C)c2)ccc1OC[C@@H](O)CN1CCOCC1 ZINC000011954534 558303286 /nfs/dbraw/zinc/30/32/86/558303286.db2.gz HMDPGXOMKKIJLR-NRFANRHFSA-N 0 3 400.519 2.365 50 0 HEAAHN CCN(C[C@H]1CCCN(CCc2cccc(OC)c2)C1)C(=O)CN1CCOC1=O ZINC000012298623 558368639 /nfs/dbraw/zinc/36/86/39/558368639.db2.gz DQPGSKDDXCTJGE-IBGZPJMESA-N 0 3 403.523 2.250 50 0 HEAAHN CC[C@H](C)C(=O)C(=O)N1CCC(Oc2cccc(C(=O)N(C)CCN(C)C)c2)CC1 ZINC000012302544 558372451 /nfs/dbraw/zinc/37/24/51/558372451.db2.gz BYXBIOJCJOTNLD-KRWDZBQOSA-N 0 3 417.550 2.305 50 0 HEAAHN COc1ccccc1CCN1CCC[C@H](CN(C)C(=O)c2ccc3c(c2)no[n+]3[O-])C1 ZINC000012439894 558411296 /nfs/dbraw/zinc/41/12/96/558411296.db2.gz NKHIOLJBGQWNFV-QGZVFWFLSA-N 0 3 424.501 2.497 50 0 HEAAHN CN(CC1CCN(CCc2ccccc2F)CC1)C(=O)[C@H]1CCCN(C(N)=O)C1 ZINC000012761371 558461152 /nfs/dbraw/zinc/46/11/52/558461152.db2.gz UVILLAMIOAEVQM-IBGZPJMESA-N 0 3 404.530 2.329 50 0 HEAAHN COc1ccc(CNCc2ccccc2C)c(OC[C@@H](O)CN2CCN(C)CC2)c1 ZINC000022852947 558517071 /nfs/dbraw/zinc/51/70/71/558517071.db2.gz IGBHTUAZWCQBFF-QFIPXVFZSA-N 0 3 413.562 2.281 50 0 HEAAHN COc1ccc(CNCc2ccc(F)cc2)cc1OC[C@@H](O)CN1CCN(C)CC1 ZINC000022919299 558522142 /nfs/dbraw/zinc/52/21/42/558522142.db2.gz DLROBHIQXIQCEP-NRFANRHFSA-N 0 3 417.525 2.111 50 0 HEAAHN CN(C)C(=O)c1nc2ccc(Cl)cn2c1CN1CCC(CN2CCOCC2)CC1 ZINC000023153317 558539376 /nfs/dbraw/zinc/53/93/76/558539376.db2.gz LJQHUSYTBSKISA-UHFFFAOYSA-N 0 3 419.957 2.234 50 0 HEAAHN C[C@@H]1CCCCN1CC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000023701710 558568516 /nfs/dbraw/zinc/56/85/16/558568516.db2.gz LPOVRDVFHVAXHG-CYBMUJFWSA-N 0 3 405.973 2.109 50 0 HEAAHN C[C@@H](C1CC1)N(C)CC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1 ZINC000024774613 558612315 /nfs/dbraw/zinc/61/23/15/558612315.db2.gz DQBDBICYVJCFKF-KRWDZBQOSA-N 0 3 419.591 2.129 50 0 HEAAHN NC(=O)COc1ccc(CNC[C@H](c2ccccc2Cl)N2CCOCC2)cc1 ZINC000027218013 558671139 /nfs/dbraw/zinc/67/11/39/558671139.db2.gz VQMZDRKEJZRWEI-HXUWFJFHSA-N 0 3 403.910 2.367 50 0 HEAAHN CCN1CCN(CCNC(=O)c2cnn(-c3ccc(F)cc3)c2-n2cccc2)CC1 ZINC000022936552 558672960 /nfs/dbraw/zinc/67/29/60/558672960.db2.gz UUTBIKBFYRGALT-UHFFFAOYSA-N 0 3 410.497 2.169 50 0 HEAAHN CN(C)CCNC(=O)[C@@H]1C[C@@H](Sc2ccccn2)CN1C1Cc2ccccc2C1 ZINC000014993199 558695271 /nfs/dbraw/zinc/69/52/71/558695271.db2.gz LQVTZYOCSZMEHB-RTWAWAEBSA-N 0 3 410.587 2.462 50 0 HEAAHN Cc1ccc(S(=O)(=O)NC2CC2)cc1C(=O)N[C@H](CN(C)C)c1ccccc1 ZINC000029953957 558724751 /nfs/dbraw/zinc/72/47/51/558724751.db2.gz VVMZPQIAMIYVRN-HXUWFJFHSA-N 0 3 401.532 2.468 50 0 HEAAHN Cc1ccc(S(=O)(=O)NC2CC2)cc1C(=O)N[C@@H](CN(C)C)c1ccccc1 ZINC000029953959 558724794 /nfs/dbraw/zinc/72/47/94/558724794.db2.gz VVMZPQIAMIYVRN-FQEVSTJZSA-N 0 3 401.532 2.468 50 0 HEAAHN CC(=O)N1c2ccccc2C[C@@H]1C(=O)NCCCN1CCN(Cc2ccccc2)CC1 ZINC000022937664 558725834 /nfs/dbraw/zinc/72/58/34/558725834.db2.gz UKNAWNLYLUONAZ-XMMPIXPASA-N 0 3 420.557 2.288 50 0 HEAAHN CCc1ccc(S(=O)(=O)N2CCN(c3cc(N4CCCC4)nc(C)n3)CC2)cc1 ZINC000015671255 558748356 /nfs/dbraw/zinc/74/83/56/558748356.db2.gz RMCNYEVCNWASAC-UHFFFAOYSA-N 0 3 415.563 2.459 50 0 HEAAHN Cc1nc(N2CCOCC2)cc(N2CCN(C(=O)Nc3cc(F)cc(F)c3)CC2)n1 ZINC000033326821 558766937 /nfs/dbraw/zinc/76/69/37/558766937.db2.gz MEKIZSGHAKZSPT-UHFFFAOYSA-N 0 3 418.448 2.254 50 0 HEAAHN O=C(CN1C[C@@H](O)[C@H](N2CCCC2)C1)N(CCc1ccccc1)Cc1cccs1 ZINC000072308557 558769745 /nfs/dbraw/zinc/76/97/45/558769745.db2.gz CHJKWUIGTDHSGX-FGZHOGPDSA-N 0 3 413.587 2.460 50 0 HEAAHN Cc1cnc(C(=O)N(CCC(=O)NCCc2ccccc2)CCN2CCCCC2)cn1 ZINC000004589006 558788846 /nfs/dbraw/zinc/78/88/46/558788846.db2.gz MALCNPGFLAMBMX-UHFFFAOYSA-N 0 3 423.561 2.462 50 0 HEAAHN Cc1c(CN2CCN(CCC(C)C)[C@H](CCO)C2)c(=O)n(-c2ccccc2)n1C ZINC000039362424 558820442 /nfs/dbraw/zinc/82/04/42/558820442.db2.gz MKQIRPYCIAOCBR-OAQYLSRUSA-N 0 3 400.567 2.399 50 0 HEAAHN CCCC(=O)Nc1ccc(C)n(CC(=O)N2CCN(C3CCCCC3)CC2)c1=O ZINC000097938281 558824645 /nfs/dbraw/zinc/82/46/45/558824645.db2.gz YOPPJNQDOZBBJW-UHFFFAOYSA-N 0 3 402.539 2.372 50 0 HEAAHN CCCS(=O)(=O)C(C)C(=O)NCC(=O)Nc1ccc(Br)c(C)c1 ZINC000060303019 558829075 /nfs/dbraw/zinc/82/90/75/558829075.db2.gz GKIHVNCXXRBIPP-LLVKDONJSA-N 0 3 405.314 2.026 50 0 HEAAHN Cc1ccc(S(=O)(=O)NCC2CCC(C(=O)NCCN3CCCC3)CC2)cc1 ZINC000004712738 558917955 /nfs/dbraw/zinc/91/79/55/558917955.db2.gz SDNPRYBZFHGKBO-UHFFFAOYSA-N 0 3 407.580 2.292 50 0 HEAAHN CCNc1cc(N2CCN(S(=O)(=O)c3cc(C)ccc3OC)CC2)nc(C)n1 ZINC000065362309 558972969 /nfs/dbraw/zinc/97/29/69/558972969.db2.gz JFYFWAPIXNXYRD-UHFFFAOYSA-N 0 3 405.524 2.045 50 0 HEAAHN CCN(CC)S(=O)(=O)c1ccc2c(cc(C(=O)NC[C@@H]3CCCN3CC)n2C)c1 ZINC000021943272 558979658 /nfs/dbraw/zinc/97/96/58/558979658.db2.gz WOGWXWKSAZBGTM-KRWDZBQOSA-N 0 3 420.579 2.423 50 0 HEAAHN COc1ccc(C(=O)NCCc2ncnn2C)cc1OC1CCN(C(C)C)CC1 ZINC000095519641 559084839 /nfs/dbraw/zinc/08/48/39/559084839.db2.gz YUINQJCFHPULFI-UHFFFAOYSA-N 0 3 401.511 2.048 50 0 HEAAHN O=C(c1ccc(F)cc1)N1CCC(N[C@@H]2CC(=O)N(c3ccc(F)cc3)C2=O)CC1 ZINC000101163661 559143689 /nfs/dbraw/zinc/14/36/89/559143689.db2.gz AEORPUMGHKMWSD-LJQANCHMSA-N 0 3 413.424 2.491 50 0 HEAAHN CCN(CC)CCNC(=O)C(=O)Nc1c2c(nn1-c1ccc(F)cc1)CSC2 ZINC000004941711 559213838 /nfs/dbraw/zinc/21/38/38/559213838.db2.gz NGCOMVDTCQUWBB-UHFFFAOYSA-N 0 3 405.499 2.155 50 0 HEAAHN CCOC(=O)c1c2c(sc1NC(=O)CNCCCN1CCOCC1)C[C@@H](C)CC2 ZINC000004747896 560871973 /nfs/dbraw/zinc/87/19/73/560871973.db2.gz FOKPXPKMTXIUFB-HNNXBMFYSA-N 0 3 423.579 2.300 50 0 HEAAHN O=C1C=C(NCCCN2CCN(c3ccc(F)cc3)CC2)C(=O)N1c1ccccc1 ZINC000025183382 560891319 /nfs/dbraw/zinc/89/13/19/560891319.db2.gz CUMYOGKBADRHNN-UHFFFAOYSA-N 0 3 408.477 2.385 50 0 HEAAHN O=C(Cn1cc(Br)ccc1=O)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000048300025 568437293 /nfs/dbraw/zinc/43/72/93/568437293.db2.gz PTNJPCIQRHHZPL-KRWDZBQOSA-N 0 3 404.308 2.392 50 0 HEAAHN CN1CCC2(CC1)C[C@@H](NC(=O)c1ccccc1-n1cnnn1)c1ccccc1O2 ZINC000048302779 568437837 /nfs/dbraw/zinc/43/78/37/568437837.db2.gz RIIFGWALZMXAOB-GOSISDBHSA-N 0 3 404.474 2.380 50 0 HEAAHN COc1ccc(CNC(=O)Cn2cnc3c(c2=O)CN(Cc2ccccc2)CC3)cc1 ZINC000049400732 568447546 /nfs/dbraw/zinc/44/75/46/568447546.db2.gz SKTRYEWJXHPLND-UHFFFAOYSA-N 0 3 418.497 2.127 50 0 HEAAHN COc1cccc(NC(=O)C2CC(=O)Nc3c2c(=O)[nH]c(=O)n3Cc2ccccc2)c1 ZINC000049551505 568452022 /nfs/dbraw/zinc/45/20/22/568452022.db2.gz XMTHDZJNRCIAKG-INIZCTEOSA-N 0 3 420.425 2.308 50 0 HEAAHN COc1cccc(NC(=O)C2CC(=O)Nc3c2c(=O)[nH]c(=O)n3CCC(C)C)c1 ZINC000049551695 568452050 /nfs/dbraw/zinc/45/20/50/568452050.db2.gz VIYQVSLDSIGQSH-AWEZNQCLSA-N 0 3 400.435 2.305 50 0 HEAAHN CCN1CCN(C(=O)C2CCN(Cc3ccc(OC)c(OC)c3OC)CC2)CC1 ZINC000000819245 568496838 /nfs/dbraw/zinc/49/68/38/568496838.db2.gz OUXDISCYRNQQCX-UHFFFAOYSA-N 0 3 405.539 2.089 50 0 HEAAHN CC(C)CN(C(=O)CN[C@@H](C)c1ccccc1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000039726267 568601083 /nfs/dbraw/zinc/60/10/83/568601083.db2.gz OSOFZWWYBNQPNO-INIZCTEOSA-N 0 3 415.538 2.115 50 0 HEAAHN C[C@H](CN(C)Cc1ccccc1)NC(=O)CNC(=O)c1ccc(Br)o1 ZINC000095463202 568621783 /nfs/dbraw/zinc/62/17/83/568621783.db2.gz YXGUQOYTOFEZDC-CYBMUJFWSA-N 0 3 408.296 2.409 50 0 HEAAHN CN(C)Cc1ccc(N2CCN(C(=O)Cc3ccc(-n4cccn4)cc3)CC2)nc1 ZINC000095959741 568669896 /nfs/dbraw/zinc/66/98/96/568669896.db2.gz ICCYYJAFXPBXKG-UHFFFAOYSA-N 0 3 404.518 2.220 50 0 HEAAHN Cc1ccc(-n2c3ncccc3n(CC(=O)NCCN3CCCC[C@@H]3C)c2=O)cc1 ZINC000096385609 568742042 /nfs/dbraw/zinc/74/20/42/568742042.db2.gz IBHWPCRIIMLYHA-SFHVURJKSA-N 0 3 407.518 2.486 50 0 HEAAHN Cc1nc(N2CCN(C)CC2)cc(N2CCN(C(=O)Nc3cccc(F)c3)CC2)n1 ZINC000021795726 568753882 /nfs/dbraw/zinc/75/38/82/568753882.db2.gz FEJNHVKZKPNVJB-UHFFFAOYSA-N 0 3 413.501 2.030 50 0 HEAAHN CN(Cc1nnc(SCCN2CCCC2)n1C)Cc1ccc2c(c1)OCCO2 ZINC000299770396 568874126 /nfs/dbraw/zinc/87/41/26/568874126.db2.gz SAUDWESRGFRXGL-UHFFFAOYSA-N 0 3 403.552 2.406 50 0 HEAAHN CN(C)[C@H](CNC(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1)c1ccccc1 ZINC000003408083 568897470 /nfs/dbraw/zinc/89/74/70/568897470.db2.gz QPACDHJSPZUZEA-GOSISDBHSA-N 0 3 409.939 2.380 50 0 HEAAHN CCc1ccc(-c2cc3c(=O)n(CC(=O)NC[C@@H]4CCCN4CC)nc(C)n3n2)cc1 ZINC000015672118 568962598 /nfs/dbraw/zinc/96/25/98/568962598.db2.gz LEDYDUANPYAHMT-IBGZPJMESA-N 0 3 422.533 2.029 50 0 HEAAHN COc1ccc([C@H](CNC(=O)Cc2n[nH]c(=O)c3ccccc23)N2CCCC2)cc1 ZINC000008231038 568984063 /nfs/dbraw/zinc/98/40/63/568984063.db2.gz IJAJVQPHWPSIBU-NRFANRHFSA-N 0 3 406.486 2.428 50 0 HEAAHN CN(C)[C@H](CNC(=O)c1ccc(S(=O)(=O)NC2CC2)cc1)Cc1ccccc1 ZINC000012922111 569023114 /nfs/dbraw/zinc/02/31/14/569023114.db2.gz QXIBIJYALAVCSW-IBGZPJMESA-N 0 3 401.532 2.030 50 0 HEAAHN COc1ccc(CN(Cc2nc(C(=O)NCCN(C)C)co2)C(C)C)c(OC)c1 ZINC000036083009 569087405 /nfs/dbraw/zinc/08/74/05/569087405.db2.gz TVXYROJGSNYLGC-UHFFFAOYSA-N 0 3 404.511 2.394 50 0 HEAAHN Cc1ccc(C)n1-c1nnc(N2CCC(C(=O)NCCN3CCCC3)CC2)s1 ZINC000006806119 569130869 /nfs/dbraw/zinc/13/08/69/569130869.db2.gz WZPBOAVGRICYES-UHFFFAOYSA-N 0 3 402.568 2.374 50 0 HEAAHN CN(C)[C@@H](CNC(=O)CN(C)S(=O)(=O)c1ccc(Cl)s1)c1ccccc1 ZINC000036394772 569168539 /nfs/dbraw/zinc/16/85/39/569168539.db2.gz QKMUCZJGBINJLU-AWEZNQCLSA-N 0 3 415.968 2.441 50 0 HEAAHN CCCN1CCN(CCNC(=O)c2cn3ccnc(-c4ccc(C)cc4)c3n2)CC1 ZINC000065274568 569215260 /nfs/dbraw/zinc/21/52/60/569215260.db2.gz GKYAGHXIYHMPGE-UHFFFAOYSA-N 0 3 406.534 2.462 50 0 HEAAHN CN(C)CCNC(=O)C1CCN(c2nc3ccc(-c4cncnc4)nc3s2)CC1 ZINC000065272133 569215558 /nfs/dbraw/zinc/21/55/58/569215558.db2.gz JKECAEINRUJQEP-UHFFFAOYSA-N 0 3 411.535 2.043 50 0 HEAAHN CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)CNC(=O)c1ccc2c(c1)OCO2 ZINC000170597462 569242127 /nfs/dbraw/zinc/24/21/27/569242127.db2.gz UHIRYFKLLCIKNV-LJQANCHMSA-N 0 3 411.502 2.418 50 0 HEAAHN C[C@H]1CCCCN1CC(=O)N1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1 ZINC000007525144 569245783 /nfs/dbraw/zinc/24/57/83/569245783.db2.gz TUAXLNXIWYVBQZ-AWEZNQCLSA-N 0 3 417.934 2.186 50 0 HEAAHN CCN1CCC[C@H]1CNC(=O)C1CCC(CNS(=O)(=O)c2ccccc2)CC1 ZINC000013691747 569257317 /nfs/dbraw/zinc/25/73/17/569257317.db2.gz WDKZIRCIAYUKBA-ACBHZAAOSA-N 0 3 407.580 2.372 50 0 HEAAHN C[C@@H](NS(=O)(=O)c1ccccc1)C(=O)NCC(C)(C)N1CCc2ccccc2C1 ZINC000040080549 571155806 /nfs/dbraw/zinc/15/58/06/571155806.db2.gz LGHMUFUPTOSVEC-QGZVFWFLSA-N 0 3 415.559 2.307 50 0 HEAAHN NS(=O)(=O)c1ccc(CCNC(=O)CCN2CCC[C@H]2c2ccsc2)cc1 ZINC000040154238 571201410 /nfs/dbraw/zinc/20/14/10/571201410.db2.gz SSQNWPPTKHPCNA-SFHVURJKSA-N 0 3 407.561 2.281 50 0 HEAAHN O=C(CC[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1)NCCN1CCCCC1 ZINC000581774438 1078748441 /nfs/dbraw/zinc/74/84/41/1078748441.db2.gz VBDLABJXXQZLRE-IBGZPJMESA-N 0 3 407.580 2.470 50 0 HEAAHN CCOC(=O)[C@H]1C(=O)N=C(N2CCN(c3ccc(F)cc3)CC2)N[C@H]1c1ccccc1 ZINC000009340428 132338763 /nfs/dbraw/zinc/33/87/63/132338763.db2.gz TXRKAMCNDJYMPL-UXHICEINSA-N 0 3 424.476 2.354 50 0 HEAAHN CCCN1CCN([C@@H]2CCc3c(c(C(=O)NCc4ccccc4F)nn3C)C2)CC1 ZINC000023310376 519859518 /nfs/dbraw/zinc/85/95/18/519859518.db2.gz CVVXKGSSDZJBKS-GOSISDBHSA-N 0 3 413.541 2.374 50 0 HEAAHN CCN(CC)CCNCC(=O)Nc1ccc(C)c(S(=O)(=O)N2CCCCC2)c1 ZINC000022877291 520688096 /nfs/dbraw/zinc/68/80/96/520688096.db2.gz NZBLQHKOOABDOX-UHFFFAOYSA-N 0 3 410.584 2.040 50 0 HEAAHN CCOc1ccc(N2C(=O)C[C@@H](N3CCC(CCN4CCOCC4)CC3)C2=O)cc1 ZINC000004727890 557587730 /nfs/dbraw/zinc/58/77/30/557587730.db2.gz AJDGTHVZKGEGJG-OAQYLSRUSA-N 0 3 415.534 2.152 50 0 HEAAHN OCc1ccc(CN2CCC[C@H](N3CCN(Cc4ccc5c(c4)OCO5)CC3)C2)o1 ZINC000019741781 558262239 /nfs/dbraw/zinc/26/22/39/558262239.db2.gz BPDLYGNHKVPCHV-IBGZPJMESA-N 0 3 413.518 2.283 50 0 HEAAHN COc1ccc(CNCc2ccccc2C)cc1OC[C@H](O)CN1CCN(C)CC1 ZINC000019744331 558264714 /nfs/dbraw/zinc/26/47/14/558264714.db2.gz UKBZDDJXMUEPMS-JOCHJYFZSA-N 0 3 413.562 2.281 50 0 HEAAHN CN(CC1CCN(CCc2ccc(F)cc2)CC1)C(=O)C[C@H]1CCS(=O)(=O)C1 ZINC000011844622 558289344 /nfs/dbraw/zinc/28/93/44/558289344.db2.gz NRTZWTDYCKGLGW-LJQANCHMSA-N 0 3 410.555 2.363 50 0 HEAAHN Cc1cccn2c(CNCCc3cn4ccccc4n3)c(C(=O)N3CCOCC3)nc12 ZINC000011935461 558299369 /nfs/dbraw/zinc/29/93/69/558299369.db2.gz RAECTRVWLBSONL-UHFFFAOYSA-N 0 3 418.501 2.095 50 0 HEAAHN CCOC(=O)N1CCN(Cc2ccccc2OC[C@@H](O)CN2CCCCC2)CC1 ZINC000012075066 558319453 /nfs/dbraw/zinc/31/94/53/558319453.db2.gz MKRPKRBDKUHBLF-FQEVSTJZSA-N 0 3 405.539 2.186 50 0 HEAAHN COc1cc(CNCc2ccccc2)ccc1OC[C@@H](O)CN1CCC(O)CC1 ZINC000012593118 558436397 /nfs/dbraw/zinc/43/63/97/558436397.db2.gz QOKJNZXDOGMZLA-NRFANRHFSA-N 0 3 400.519 2.181 50 0 HEAAHN CC(C)(C)NC(=O)CN1CCN(C(=O)c2ccc(CN3CCCCC3)cc2)CC1 ZINC000021927315 558455606 /nfs/dbraw/zinc/45/56/06/558455606.db2.gz BMPZTQRAFPKHAV-UHFFFAOYSA-N 0 3 400.567 2.345 50 0 HEAAHN COc1ccc(CN(C)Cc2cccs2)cc1OC[C@H](O)CN1CCN(C)CC1 ZINC000022913788 558520616 /nfs/dbraw/zinc/52/06/16/558520616.db2.gz GBKFNHIEZUGOMQ-LJQANCHMSA-N 0 3 419.591 2.376 50 0 HEAAHN O=C(Cc1ccc(F)cc1)NCCc1nnc2n1CCN(Cc1ccccc1)CC2 ZINC000023337422 558549676 /nfs/dbraw/zinc/54/96/76/558549676.db2.gz KSAGNDSBUFKSHF-UHFFFAOYSA-N 0 3 407.493 2.377 50 0 HEAAHN COc1ccc([C@H](CNC(=O)Cn2[nH]c(=O)c3ccccc3c2=O)N2CCCC2)cc1 ZINC000025778249 558649723 /nfs/dbraw/zinc/64/97/23/558649723.db2.gz IKTRVBAQJFVCAU-FQEVSTJZSA-N 0 3 422.485 2.064 50 0 HEAAHN COc1ccc(CCN2C(=O)N(CC(C)C)C(=O)C23CCN([C@@H](C)CO)CC3)cc1 ZINC000014749703 558670400 /nfs/dbraw/zinc/67/04/00/558670400.db2.gz YHQYSHCBOOMELO-SFHVURJKSA-N 0 3 417.550 2.373 50 0 HEAAHN CN(C[C@H]1CCCN(CCc2ccccc2F)C1)C(=O)CN1C(=O)CSC1=O ZINC000014974829 558688891 /nfs/dbraw/zinc/68/88/91/558688891.db2.gz VTSBVAYCHVXUKT-OAHLLOKOSA-N 0 3 407.511 2.234 50 0 HEAAHN O=C(NCCCN1CCN(Cc2ccccc2)CC1)N[C@@H]1COc2ccccc2C1 ZINC000022938068 558726599 /nfs/dbraw/zinc/72/65/99/558726599.db2.gz ZKIDMGXOQJCIML-QFIPXVFZSA-N 0 3 408.546 2.497 50 0 HEAAHN O=C(CCN(CCN1CCCCC1)C(=O)c1ccc(F)c(Cl)c1)N1CCNCC1 ZINC000035422063 558791701 /nfs/dbraw/zinc/79/17/01/558791701.db2.gz PIWXGESYSXYXSN-UHFFFAOYSA-N 0 3 424.948 2.229 50 0 HEAAHN Cc1cccc(C(=O)N(CCC(=O)N2CCNCC2)CCN2CCCC[C@@H]2C)c1 ZINC000035422026 558791819 /nfs/dbraw/zinc/79/18/19/558791819.db2.gz WTYUNURDYCSXOJ-FQEVSTJZSA-N 0 3 400.567 2.134 50 0 HEAAHN O=C(COCc1nnc(C(=O)Nc2ccc(F)cc2)s1)NCCN1CCCCC1 ZINC000032987598 558807508 /nfs/dbraw/zinc/80/75/08/558807508.db2.gz RDCBYWULPOJCQJ-UHFFFAOYSA-N 0 3 421.498 2.048 50 0 HEAAHN COc1ccc(Cl)cc1C(=O)NCCNc1cc(N2CCOCC2)nc(C)n1 ZINC000038488294 558811580 /nfs/dbraw/zinc/81/15/80/558811580.db2.gz OEWMHPOSLCWILN-UHFFFAOYSA-N 0 3 405.886 2.126 50 0 HEAAHN Cc1cccc(NC(=O)Nc2ccc(C)n(CC(=O)N3CCCN(C)CC3)c2=O)c1 ZINC000097938434 558824968 /nfs/dbraw/zinc/82/49/68/558824968.db2.gz LRLCABPLZUYDSO-UHFFFAOYSA-N 0 3 411.506 2.273 50 0 HEAAHN CC[C@@H](C(=O)NC1CCN(C)CC1)N(c1ccc(OC)c(Cl)c1)S(C)(=O)=O ZINC000071754841 558909582 /nfs/dbraw/zinc/90/95/82/558909582.db2.gz YARXXBHKGLDHNY-INIZCTEOSA-N 0 3 417.959 2.104 50 0 HEAAHN O=C(CCc1nnc(C(=O)Nc2ccc(F)cc2)s1)NCCN1CCCCC1 ZINC000033061923 558955676 /nfs/dbraw/zinc/95/56/76/558955676.db2.gz RZNHEJREEILEAA-UHFFFAOYSA-N 0 3 405.499 2.464 50 0 HEAAHN CN(C)CCNC(=O)c1ccc2ccnc(N3CCN(C(=O)c4ccco4)CC3)c2c1 ZINC000065002579 558968868 /nfs/dbraw/zinc/96/88/68/558968868.db2.gz ZPSKWUJOONIVDO-UHFFFAOYSA-N 0 3 421.501 2.082 50 0 HEAAHN CN(Cc1ccc(C(=O)NC2CCN(C)CC2)cc1)S(=O)(=O)c1ccccc1 ZINC000065363183 558974087 /nfs/dbraw/zinc/97/40/87/558974087.db2.gz DBZROLCFDAMEIB-UHFFFAOYSA-N 0 3 401.532 2.331 50 0 HEAAHN CC[C@@H](C(=O)NC1CCN(C)CC1)N(c1ccc(F)c(Cl)c1)S(C)(=O)=O ZINC000065364605 558975714 /nfs/dbraw/zinc/97/57/14/558975714.db2.gz JFNHHMBJLQJGIY-INIZCTEOSA-N 0 3 405.923 2.234 50 0 HEAAHN Cc1nc(N2CCOCC2)cc(N2CCN(C(=O)c3ccc(F)cc3Cl)CC2)n1 ZINC000067630073 558990248 /nfs/dbraw/zinc/99/02/48/558990248.db2.gz VKPIKATYQTWSKM-UHFFFAOYSA-N 0 3 419.888 2.377 50 0 HEAAHN C[C@@H](CC(=O)Nc1cccc(C(F)(F)F)c1)NC[C@@H](Cc1cnn(C)c1)C(N)=O ZINC000097139552 558996788 /nfs/dbraw/zinc/99/67/88/558996788.db2.gz QITJCDXIIJWWHG-GXTWGEPZSA-N 0 3 411.428 2.090 50 0 HEAAHN CCN1CCN(CCCN2CC3(CCN(c4ncccc4F)CC3)OC2=O)CC1 ZINC000077318896 559001067 /nfs/dbraw/zinc/00/10/67/559001067.db2.gz LJVAZDSLABXUSG-UHFFFAOYSA-N 0 3 405.518 2.040 50 0 HEAAHN CCN1CCN(CCCN2CC3(CCN(C(=O)c4ccccc4)CC3)OC2=O)CC1 ZINC000077517838 559008043 /nfs/dbraw/zinc/00/80/43/559008043.db2.gz CBCHVTUZBHTYNU-UHFFFAOYSA-N 0 3 414.550 2.141 50 0 HEAAHN CN(C)CCNC(=O)c1ccc(OC2CCN(c3cnccn3)CC2)c(Cl)c1 ZINC000096130303 559095376 /nfs/dbraw/zinc/09/53/76/559095376.db2.gz ZDPCVRQQJDLNNN-UHFFFAOYSA-N 0 3 403.914 2.469 50 0 HEAAHN CN(C)CCn1c2c(c(SCC(=O)Nc3ccc(F)c(F)c3)nc1=O)CCC2 ZINC000004851737 559191227 /nfs/dbraw/zinc/19/12/27/559191227.db2.gz XLYJOMKWXNXXHR-UHFFFAOYSA-N 0 3 408.474 2.303 50 0 HEAAHN CCOc1ccc(NC(=O)CSc2nc(=O)n(CCN(C)C)c3c2CCC3)cc1 ZINC000004851659 559191268 /nfs/dbraw/zinc/19/12/68/559191268.db2.gz LOUOBGFCSPLRHG-UHFFFAOYSA-N 0 3 416.547 2.423 50 0 HEAAHN C[C@@H]1CCCN(CCCNS(=O)(=O)c2ccc3c(c2)CCN3C(=O)C2CC2)C1 ZINC000004971480 559220532 /nfs/dbraw/zinc/22/05/32/559220532.db2.gz FUGTZBGMOGUTED-MRXNPFEDSA-N 0 3 405.564 2.386 50 0 HEAAHN CC(C)c1ccc(CN2CCC[C@]3(CCN(C(=O)CNS(C)(=O)=O)C3)C2)cc1 ZINC000426436544 559271581 /nfs/dbraw/zinc/27/15/81/559271581.db2.gz KUNSOCNJFCUNTJ-NRFANRHFSA-N 0 3 407.580 2.174 50 0 HEAAHN O=C(CC[C@H]1NC(=O)N(Cc2ccco2)C1=O)NC1CCN(Cc2ccccc2)CC1 ZINC000206233301 560554962 /nfs/dbraw/zinc/55/49/62/560554962.db2.gz FGYVIIOAZBWZLA-HXUWFJFHSA-N 0 3 424.501 2.261 50 0 HEAAHN C=C1C(NCCCN2CCN(CCC)CC2)=NS(=O)(=O)C1c1ccc(C)cc1 ZINC000020465584 560708267 /nfs/dbraw/zinc/70/82/67/560708267.db2.gz JMZLTWRQKUNDFM-UHFFFAOYSA-N 0 3 404.580 2.475 50 0 HEAAHN Cn1cccc1C(=O)N1CCC2(CC1)C[C@@H](N1CCN(c3ccccn3)CC1)CCO2 ZINC000575317045 560855411 /nfs/dbraw/zinc/85/54/11/560855411.db2.gz QHMBFGHXLCBPHP-FQEVSTJZSA-N 0 3 423.561 2.396 50 0 HEAAHN CSc1ccccc1CN1CCC(CNC(=O)C(=O)NCC(F)(F)F)CC1 ZINC000049523478 568452292 /nfs/dbraw/zinc/45/22/92/568452292.db2.gz HJKWTRAPYZLDBX-UHFFFAOYSA-N 0 3 403.470 2.415 50 0 HEAAHN CCN1CCN(Cn2c3ccccc3n(CN3CCN(CC)CC3)c2=S)CC1 ZINC000022595973 568487215 /nfs/dbraw/zinc/48/72/15/568487215.db2.gz SWIVNSADMQPDKL-UHFFFAOYSA-N 0 3 402.612 2.362 50 0 HEAAHN CCN1CCN(C(=O)[C@H](C)N(C)CC2CCN(C(=O)Nc3ccccc3)CC2)CC1 ZINC000095448083 568612382 /nfs/dbraw/zinc/61/23/82/568612382.db2.gz LYDHVHRODJSGNP-IBGZPJMESA-N 0 3 415.582 2.415 50 0 HEAAHN CCN1CCN(c2ccc(NC(=O)CCN3C(=O)[C@H]4CC=CC[C@@H]4C3=O)cc2)CC1 ZINC000095950734 568667493 /nfs/dbraw/zinc/66/74/93/568667493.db2.gz YPRXMHOHPZQPNN-PMACEKPBSA-N 0 3 410.518 2.108 50 0 HEAAHN COC(=O)c1cnn(-c2ccc(C(=O)NCCCN(C)Cc3ccccc3)cc2)c1N ZINC000021652381 568730380 /nfs/dbraw/zinc/73/03/80/568730380.db2.gz LRQQYGYIADEPMV-UHFFFAOYSA-N 0 3 421.501 2.493 50 0 HEAAHN COc1cc2c(cc1OC)[C@H]1[C@@H](C(=O)NCCN(C)C)c3ccccc3C(=O)N1CC2 ZINC000002468424 568772889 /nfs/dbraw/zinc/77/28/89/568772889.db2.gz QTQXEGNQRSHSGD-VXKWHMMOSA-N 0 3 423.513 2.218 50 0 HEAAHN Cc1nonc1C(=O)N1CCC2(C[C@@H]2C(=O)N2CCN(C3CCCCC3)CC2)CC1 ZINC000299771050 568874282 /nfs/dbraw/zinc/87/42/82/568874282.db2.gz RJRSXWOVZJNMOM-GOSISDBHSA-N 0 3 415.538 2.097 50 0 HEAAHN COCCN1C(=O)c2ccccc2[C@@H](C(=O)NCCN(C)C)[C@H]1c1ccc(F)cc1 ZINC000003657268 568923125 /nfs/dbraw/zinc/92/31/25/568923125.db2.gz AQSGOOFHJWXOPI-NHCUHLMSSA-N 0 3 413.493 2.431 50 0 HEAAHN NC(=O)[C@@H]1CCCN(CCCNS(=O)(=O)c2cccc3cccc(Cl)c32)C1 ZINC000670470918 568998216 /nfs/dbraw/zinc/99/82/16/568998216.db2.gz BJBFNZJOXBXJME-OAHLLOKOSA-N 0 3 409.939 2.359 50 0 HEAAHN CCN(CC)CCn1c(N)cc(=O)n(CC(=O)Nc2c(C)cccc2C(C)C)c1=O ZINC000012847580 569010253 /nfs/dbraw/zinc/01/02/53/569010253.db2.gz PMBSGHASWFIZNL-UHFFFAOYSA-N 0 3 415.538 2.005 50 0 HEAAHN CC(C)CN(C(=O)CN1CCCCCCC1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000006598432 569069286 /nfs/dbraw/zinc/06/92/86/569069286.db2.gz FHUMTPAKAQDFGR-UHFFFAOYSA-N 0 3 407.559 2.030 50 0 HEAAHN Cc1onc2c1c(C)nn(CC(=O)NCC1CCN(Cc3ccc(C)cc3)CC1)c2=O ZINC000064842280 569106935 /nfs/dbraw/zinc/10/69/35/569106935.db2.gz YGUUVFDRGXOZFZ-UHFFFAOYSA-N 0 3 423.517 2.338 50 0 HEAAHN Cc1oc2c(c1C(=O)NCCN1CCN(C)CC1)CN(Cc1ccc(C)cc1)CC2 ZINC000065289710 569217945 /nfs/dbraw/zinc/21/79/45/569217945.db2.gz ZTYWGNGHLZFIDQ-UHFFFAOYSA-N 0 3 410.562 2.432 50 0 HEAAHN CC(C)NC(=O)CN(C)C1CCN(c2nc(-c3ccncc3)nc3c2CCC3)CC1 ZINC000089885237 569267717 /nfs/dbraw/zinc/26/77/17/569267717.db2.gz ILIVEOONLHEVLB-UHFFFAOYSA-N 0 3 408.550 2.453 50 0 HEAAHN CCN1CCC[C@H]1CNC(=O)[C@H]1CC[C@H](CNS(=O)(=O)c2ccccc2)CC1 ZINC000253388023 569365005 /nfs/dbraw/zinc/36/50/05/569365005.db2.gz WDKZIRCIAYUKBA-FHWLQOOXSA-N 0 3 407.580 2.372 50 0 HEAAHN COc1cc([C@@H]2NC(=O)N[C@](O)(c3cccs3)C2C(=O)C(F)(F)F)ccc1O ZINC000027754399 569393085 /nfs/dbraw/zinc/39/30/85/569393085.db2.gz YVLUXFJDSHWBQV-XEZPLFJOSA-N 0 3 416.377 2.409 50 0 HEAAHN Cn1c2nc(SCCN3CCCCC3)n(Cc3ccccc3)c2c(=O)n(C)c1=O ZINC000002438581 569399978 /nfs/dbraw/zinc/39/99/78/569399978.db2.gz BDPSOPZZXIOVGF-UHFFFAOYSA-N 0 3 413.547 2.060 50 0 HEAAHN CO[C@]1(C)CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CN4CCC5(CC4)OCCO5)[C@H]3C[C@]21O ZINC000012661503 569402619 /nfs/dbraw/zinc/40/26/19/569402619.db2.gz NWQKPLHTFSPSHT-XSMYHSDESA-N 0 3 423.550 2.103 50 0 biogenic HEAAHN COCCN1CCC[C@@H](CNC(=O)CNC(=O)c2cc(Cl)ccc2Cl)C1 ZINC000670472608 571096935 /nfs/dbraw/zinc/09/69/35/571096935.db2.gz RSHBFJZEYXDMSR-ZDUSSCGKSA-N 0 3 402.322 2.198 50 0 HEAAHN COc1cc(C=CC(=O)N2CCC3(CC2)NCCc2nc[nH]c23)cc(OC)c1OC ZINC000008994600 571208222 /nfs/dbraw/zinc/20/82/22/571208222.db2.gz OVSVXKLBXSZIGR-SNAWJCMRSA-N 0 3 412.490 2.112 50 0 HEAAHN CC(C)[C@H](NS(=O)(=O)c1cccs1)C(=O)NCCN(C)Cc1ccccc1 ZINC000009528425 571266183 /nfs/dbraw/zinc/26/61/83/571266183.db2.gz ZSMOLEJEXNURTP-SFHVURJKSA-N 0 3 409.577 2.299 50 0 HEAAHN COCCC1(NS(=O)(=O)c2cccc3nsnc32)CCN(CC2CC2)CC1 ZINC000581804578 1078780720 /nfs/dbraw/zinc/78/07/20/1078780720.db2.gz BMNJLNVKZGJCAU-UHFFFAOYSA-N 0 3 410.565 2.251 50 0 HEAAHN CN(C)C[C@@H](CNC(=O)Nc1ccc(S(C)(=O)=O)cc1)[C@@H](O)c1ccccc1 ZINC000043417389 521825306 /nfs/dbraw/zinc/82/53/06/521825306.db2.gz BXIPUSUOOMGYIH-APWZRJJASA-N 0 3 405.520 2.123 50 0 HEAAHN CN(C)C[C@H](CNC(=O)Nc1ccc(S(C)(=O)=O)cc1)[C@@H](O)c1ccccc1 ZINC000043417391 521854713 /nfs/dbraw/zinc/85/47/13/521854713.db2.gz BXIPUSUOOMGYIH-LPHOPBHVSA-N 0 3 405.520 2.123 50 0 HEAAHN CS(=O)(=O)NC1CCN(CCC(=O)N[C@H](c2cccs2)c2ccccc2)CC1 ZINC000032870944 525189977 /nfs/dbraw/zinc/18/99/77/525189977.db2.gz GDJRADQBBSWUPT-FQEVSTJZSA-N 0 3 421.588 2.357 50 0 HEAAHN COc1ccc2[nH]cc(CCN[C@H]3CC(=O)N(c4ccc5c(c4)OCCO5)C3=O)c2c1 ZINC000004728063 557587632 /nfs/dbraw/zinc/58/76/32/557587632.db2.gz RYYAKJWQLRWILU-IBGZPJMESA-N 0 3 421.453 2.412 50 0 HEAAHN C[C@@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)N1CCC2(CC1)NCCc1nc[nH]c12 ZINC000008739213 557803430 /nfs/dbraw/zinc/80/34/30/557803430.db2.gz FQRLMLBNFOIULT-MRXNPFEDSA-N 0 3 423.561 2.489 50 0 HEAAHN COc1ccc(OC)c([C@H]2CCN(C(=O)c3cn(CCN4CCCCC4)nn3)C2)c1 ZINC000011661225 558265306 /nfs/dbraw/zinc/26/53/06/558265306.db2.gz CTXHDXQNMRKTJV-KRWDZBQOSA-N 0 3 413.522 2.411 50 0 HEAAHN O=C(c1ccc(OC2CCN(CCc3ccccc3)CC2)cc1)N1CCNC(=O)C1 ZINC000011817258 558280733 /nfs/dbraw/zinc/28/07/33/558280733.db2.gz YHUZPBHFYFRMQY-UHFFFAOYSA-N 0 3 407.514 2.345 50 0 HEAAHN COc1ccccc1CCN1CCC[C@H](CN(C)C(=O)CCN2CCCC2=O)C1 ZINC000011933015 558297844 /nfs/dbraw/zinc/29/78/44/558297844.db2.gz CUXDMCHTXOQMNY-LJQANCHMSA-N 0 3 401.551 2.421 50 0 HEAAHN CC(=O)C[C@H](C)C(=O)N1CCC(Oc2cccc(C(=O)N(C)CCN(C)C)c2)CC1 ZINC000012073954 558318682 /nfs/dbraw/zinc/31/86/82/558318682.db2.gz VMANMCXZUXGCMR-KRWDZBQOSA-N 0 3 417.550 2.305 50 0 HEAAHN O=C(c1cn(CCN2CCCCC2)nn1)N1CCC([C@H](O)c2cccs2)CC1 ZINC000012194205 558348877 /nfs/dbraw/zinc/34/88/77/558348877.db2.gz NNYJLSULPBKJMX-IBGZPJMESA-N 0 3 403.552 2.411 50 0 HEAAHN Cc1cccn2c(CNC[C@H](C)Oc3cccnc3)c(C(=O)N3CCOCC3)nc12 ZINC000012433672 558407577 /nfs/dbraw/zinc/40/75/77/558407577.db2.gz RQXLDTFGSROPNH-KRWDZBQOSA-N 0 3 409.490 2.067 50 0 HEAAHN Cc1ccc(CN2CCc3nnc(CCNC(=O)COc4ccccc4)n3CC2)cc1 ZINC000020995474 558426797 /nfs/dbraw/zinc/42/67/97/558426797.db2.gz UMPABHHHSCQFBO-UHFFFAOYSA-N 0 3 419.529 2.383 50 0 HEAAHN COc1ccc(CN(C)Cc2ccc(C)o2)cc1OC[C@H](O)CN1CCN(C)CC1 ZINC000020999003 558427999 /nfs/dbraw/zinc/42/79/99/558427999.db2.gz RQFWKNXVWFBYGU-HXUWFJFHSA-N 0 3 417.550 2.216 50 0 HEAAHN COc1cc(CNCc2ccccc2F)ccc1OC[C@@H](O)CN1CCC(O)CC1 ZINC000012570641 558428749 /nfs/dbraw/zinc/42/87/49/558428749.db2.gz XQDLKMSWXASQAT-FQEVSTJZSA-N 0 3 418.509 2.321 50 0 HEAAHN CN(C(=O)c1cnc2ccccn2c1=O)[C@@H]1CCCN(C2Cc3ccccc3C2)C1 ZINC000012584038 558433633 /nfs/dbraw/zinc/43/36/33/558433633.db2.gz XTWWKJJTZSSCEO-LJQANCHMSA-N 0 3 402.498 2.398 50 0 HEAAHN NC(=O)c1ccc(NC(=O)CCN2CCC(C(=O)NCc3ccccc3)CC2)cc1 ZINC000012797477 558470023 /nfs/dbraw/zinc/47/00/23/558470023.db2.gz PVDOUEWAIKXANJ-UHFFFAOYSA-N 0 3 408.502 2.143 50 0 HEAAHN CCCCN(C(=O)CN[C@H](C)c1ccccc1)c1c(N)n(CCCC)c(=O)[nH]c1=O ZINC000013068879 558510639 /nfs/dbraw/zinc/51/06/39/558510639.db2.gz DMXVYRDKAQYXRL-MRXNPFEDSA-N 0 3 415.538 2.403 50 0 HEAAHN CCN1CCN(c2ccc(NC(=O)CCN3C(=O)[C@@H]4CC=CC[C@@H]4C3=O)cc2)CC1 ZINC000013121184 558517374 /nfs/dbraw/zinc/51/73/74/558517374.db2.gz YPRXMHOHPZQPNN-BGYRXZFFSA-N 0 3 410.518 2.108 50 0 HEAAHN C[C@]1(c2ccc3c(c2)CCC3)NC(=O)N(CN2CCN(c3ccncc3)CC2)C1=O ZINC000023805054 558576388 /nfs/dbraw/zinc/57/63/88/558576388.db2.gz GYFWQLPMBSZKFS-HSZRJFAPSA-N 0 3 405.502 2.117 50 0 HEAAHN CC[C@]1(c2ccccc2)NC(=O)N(CC(=O)NC[C@H](c2ccccc2)N(C)C)C1=O ZINC000014185416 558630488 /nfs/dbraw/zinc/63/04/88/558630488.db2.gz XTZDNEGISLITPW-AUSIDOKSSA-N 0 3 408.502 2.263 50 0 HEAAHN O=C(NC[C@@H](c1cccs1)N1CCCC1)c1ccccc1CN1C(=O)CNC1=O ZINC000025384086 558639334 /nfs/dbraw/zinc/63/93/34/558639334.db2.gz NTYLRYMQYNZEQU-KRWDZBQOSA-N 0 3 412.515 2.367 50 0 HEAAHN O=C(NC[C@H](c1cccs1)N1CCCC1)c1ccccc1CN1C(=O)CNC1=O ZINC000025384082 558639383 /nfs/dbraw/zinc/63/93/83/558639383.db2.gz NTYLRYMQYNZEQU-QGZVFWFLSA-N 0 3 412.515 2.367 50 0 HEAAHN CC(C)c1ccc(CN[C@H]2C[C@H]3C(=O)N[C@@H](Cc4ccc(O)cc4)C(=O)N3C2)cc1 ZINC000014542912 558660780 /nfs/dbraw/zinc/66/07/80/558660780.db2.gz DSJIPLFANTYXMT-BVSLBCMMSA-N 0 3 407.514 2.316 50 0 HEAAHN COc1ccccc1CCN1CCC[C@@H](CN(C)C(=O)CN2CCCCC2=O)C1 ZINC000014965782 558685550 /nfs/dbraw/zinc/68/55/50/558685550.db2.gz SBFCFARETAJERW-IBGZPJMESA-N 0 3 401.551 2.421 50 0 HEAAHN CC(C)c1ccc(CN2CCc3nnc(CCNC(=O)[C@@H]4CCCO4)n3CC2)cc1 ZINC000014973169 558688053 /nfs/dbraw/zinc/68/80/53/558688053.db2.gz JMOFJIVECACOBK-FQEVSTJZSA-N 0 3 411.550 2.298 50 0 HEAAHN CC(C)c1ccc(CN2CCc3nnc(CCNC(=O)[C@H]4CCCO4)n3CC2)cc1 ZINC000014973173 558688148 /nfs/dbraw/zinc/68/81/48/558688148.db2.gz JMOFJIVECACOBK-HXUWFJFHSA-N 0 3 411.550 2.298 50 0 HEAAHN O=C(C1CCN(C2CCN(c3nc4ccccc4o3)CC2)CC1)N1CCC[C@H](O)C1 ZINC000014975177 558689089 /nfs/dbraw/zinc/68/90/89/558689089.db2.gz JPWBULCRVNHFRE-IBGZPJMESA-N 0 3 412.534 2.492 50 0 HEAAHN CCc1ccc(CN2CCc3nnc([C@@H](NS(C)(=O)=O)C(C)C)n3CC2)cc1 ZINC000014995154 558695869 /nfs/dbraw/zinc/69/58/69/558695869.db2.gz WBIVBVUTTXAYNE-IBGZPJMESA-N 0 3 405.568 2.145 50 0 HEAAHN CCc1ccc(CN2CCc3nnc([C@H](C)NC(=O)C4CCN(C)CC4)n3CC2)o1 ZINC000015004459 558698819 /nfs/dbraw/zinc/69/88/19/558698819.db2.gz FGUWZDVZLCHPPS-INIZCTEOSA-N 0 3 414.554 2.011 50 0 HEAAHN COCCN(CC1CCN(Cc2ccccc2OC)CC1)C(=O)CCn1cncn1 ZINC000015068617 558711171 /nfs/dbraw/zinc/71/11/71/558711171.db2.gz SGSLNOHMMKHPPX-UHFFFAOYSA-N 0 3 415.538 2.064 50 0 HEAAHN COC(=O)C1=C(N)Oc2cc(C)n(CCN(C)C)c(=O)c2[C@H]1c1ccccc1Cl ZINC000004570585 558742649 /nfs/dbraw/zinc/74/26/49/558742649.db2.gz KIHKTIYROZJCGW-MRXNPFEDSA-N 0 3 417.893 2.239 50 0 HEAAHN CCCCN(C)CCNC(=O)C1CCC(Cn2c(=O)[nH]c3ccccc3c2=O)CC1 ZINC000004598144 558834136 /nfs/dbraw/zinc/83/41/36/558834136.db2.gz MRQRHKINSAIIOC-UHFFFAOYSA-N 0 3 414.550 2.344 50 0 HEAAHN Cc1nnnn1[C@@H](Cc1cccc(F)c1)C(=O)NCCCN1CCc2ccccc2C1 ZINC000058010582 558895068 /nfs/dbraw/zinc/89/50/68/558895068.db2.gz NKSAZTYMQSHJIV-QFIPXVFZSA-N 0 3 422.508 2.469 50 0 HEAAHN O=C([C@@H]1CCCN(C2CCN(S(=O)(=O)c3cccs3)CC2)C1)N1CCCC1 ZINC000071708148 558907183 /nfs/dbraw/zinc/90/71/83/558907183.db2.gz OMYGKVNYFVZNIH-MRXNPFEDSA-N 0 3 411.593 2.236 50 0 HEAAHN O=C(CC1CCN(S(=O)(=O)c2ccccc2)CC1)NCCN1CCCCCC1 ZINC000033254511 558918356 /nfs/dbraw/zinc/91/83/56/558918356.db2.gz RUMMNWIUEVLMPA-UHFFFAOYSA-N 0 3 407.580 2.470 50 0 HEAAHN CN(C)CCNC(=O)c1ccc(N2CCCCC2)c(S(=O)(=O)N2CCCCC2)c1 ZINC000033053088 558938035 /nfs/dbraw/zinc/93/80/35/558938035.db2.gz BLXPUDXWBMEOFY-UHFFFAOYSA-N 0 3 422.595 2.143 50 0 HEAAHN CC[C@@H](CN(C)Cc1ccccc1)NC(=O)Cn1c2ccccc2n(CC)c(=O)c1=O ZINC000033068504 558962852 /nfs/dbraw/zinc/96/28/52/558962852.db2.gz NMDJPLANRMBDNS-IBGZPJMESA-N 0 3 422.529 2.210 50 0 HEAAHN COCCN(C)CCN1CC2(CCN(Cc3ccc4c(c3)C[C@H](C)O4)CC2)OC1=O ZINC000072447111 558982608 /nfs/dbraw/zinc/98/26/08/558982608.db2.gz AVRRVYGRCYEHEH-SFHVURJKSA-N 0 3 417.550 2.375 50 0 HEAAHN CCNc1cc(N2CCN(C(=O)c3cc(OC)c(OC)c(OC)c3)CC2)nc(C)n1 ZINC000067604905 558988772 /nfs/dbraw/zinc/98/87/72/558988772.db2.gz CQUTUPMHSITTTB-UHFFFAOYSA-N 0 3 415.494 2.205 50 0 HEAAHN CCCCN(C)CCNC(=O)c1ccc2c(c1)[nH]c(=O)n(CCc1ccccc1)c2=O ZINC000004791655 559065501 /nfs/dbraw/zinc/06/55/01/559065501.db2.gz CDEBSBVTOPQQDC-UHFFFAOYSA-N 0 3 422.529 2.394 50 0 HEAAHN OCCC[C@@H]1CN(Cc2cnn(-c3cccc(F)c3)c2)CC[C@@H]1N1CCOCC1 ZINC000095366152 559080112 /nfs/dbraw/zinc/08/01/12/559080112.db2.gz PSOHXOJEBSMAFL-KNQAVFIVSA-N 0 3 402.514 2.307 50 0 HEAAHN COc1ccc(CCN(CC2CCN(C)CC2)C(=O)[C@H](C)N2CCOCC2)cc1 ZINC000095500968 559082295 /nfs/dbraw/zinc/08/22/95/559082295.db2.gz YCMNOJIJLZURAP-IBGZPJMESA-N 0 3 403.567 2.129 50 0 HEAAHN COc1ccc(OC[C@@H](O)CN(C)C)c(CN2CCC(c3ccncn3)CC2)c1 ZINC000095517541 559084774 /nfs/dbraw/zinc/08/47/74/559084774.db2.gz OFKNWQSAFHPAGY-IBGZPJMESA-N 0 3 400.523 2.166 50 0 HEAAHN COc1cccc(NC(=O)CSc2nc(=O)n(CCN(C)C)c3c2CCCC3)c1 ZINC000005254405 560551955 /nfs/dbraw/zinc/55/19/55/560551955.db2.gz CAJXPZHLDSUYHF-UHFFFAOYSA-N 0 3 416.547 2.423 50 0 HEAAHN CN(C)C1(CNc2c(=O)c(=O)c2N2CCN(c3ccc(F)cc3)CC2)CCCC1 ZINC000101697909 560798437 /nfs/dbraw/zinc/79/84/37/560798437.db2.gz SGYXAZZCWVFNBR-UHFFFAOYSA-N 0 3 400.498 2.035 50 0 HEAAHN Cc1cnc(C(=O)N2CCC3(CC2)C[C@@H](N2CCN(CC(C)C)CC2)CCO3)cn1 ZINC000575317316 560855623 /nfs/dbraw/zinc/85/56/23/560855623.db2.gz ZFXJYBSPRLFNSP-FQEVSTJZSA-N 0 3 415.582 2.212 50 0 HEAAHN CCOC(=O)C1C(CN2CCN(C(C)C)CC2)=NC(=O)N[C@@H]1c1ccc(C)cc1 ZINC000051318483 560858673 /nfs/dbraw/zinc/85/86/73/560858673.db2.gz RBSSRPYEKXRBBY-HXUWFJFHSA-N 0 3 400.523 2.192 50 0 HEAAHN CCOC(=O)C1=C(CN2CCN(C(C)C)CC2)NC(=O)N[C@@H]1c1ccc(C)cc1 ZINC000051318483 560858674 /nfs/dbraw/zinc/85/86/74/560858674.db2.gz RBSSRPYEKXRBBY-HXUWFJFHSA-N 0 3 400.523 2.192 50 0 HEAAHN NC(=O)[C@H]1CC(C(=O)NC[C@H]2CCCCN2Cc2ccccc2)=NN1c1ccccc1 ZINC000109050146 568420942 /nfs/dbraw/zinc/42/09/42/568420942.db2.gz ZEHBMWWUZJHNST-IFMALSPDSA-N 0 3 419.529 2.278 50 0 HEAAHN CN(CCN1CCCCC1)C(=O)C[C@H]1C(=O)NCCN1Cc1ccc2ccccc2c1 ZINC000012373242 568517366 /nfs/dbraw/zinc/51/73/66/568517366.db2.gz XJEMLQMTIKCUQO-QHCPKHFHSA-N 0 3 422.573 2.475 50 0 HEAAHN CC[C@@H](C)[C@@H](NC(=O)C1CCC(C)CC1)C(=O)NCCCN1CCN(CC)CC1 ZINC000020116234 568589529 /nfs/dbraw/zinc/58/95/29/568589529.db2.gz REERNORVGPIFBR-GOLJUSPKSA-N 0 3 408.631 2.487 50 0 HEAAHN CC(C)NC(=O)CN(C)C1CCN(C(=O)c2cccc(NC(=O)[C@@H]3C[C@H]3C)c2)CC1 ZINC000095432325 568609308 /nfs/dbraw/zinc/60/93/08/568609308.db2.gz WAXKNGLMEBKUAP-OXQOHEQNSA-N 0 3 414.550 2.342 50 0 HEAAHN COc1ccc(-c2noc(CSCC(=O)NCCN3CCCC3)n2)cc1OC ZINC000020931113 568651872 /nfs/dbraw/zinc/65/18/72/568651872.db2.gz XKIAFWHXOHFKLO-UHFFFAOYSA-N 0 3 406.508 2.199 50 0 HEAAHN COc1cc2c(cc1OC)[C@@H]1[C@H](C(=O)NCCN(C)C)c3ccccc3C(=O)N1CC2 ZINC000002468423 568772938 /nfs/dbraw/zinc/77/29/38/568772938.db2.gz QTQXEGNQRSHSGD-FGZHOGPDSA-N 0 3 423.513 2.218 50 0 HEAAHN CN(C)CCN(Cc1ccc(Br)cc1)C(=O)NCCNC(=O)C1CC1 ZINC000056555655 568811751 /nfs/dbraw/zinc/81/17/51/568811751.db2.gz VRIBZVAQMRCUHL-UHFFFAOYSA-N 0 3 411.344 2.049 50 0 HEAAHN CCOC(=O)c1c2c(sc1NC(=O)CNCCCN1CCOCC1)CCCC2 ZINC000005864031 568826684 /nfs/dbraw/zinc/82/66/84/568826684.db2.gz YFYVRAAQKLMCBL-UHFFFAOYSA-N 0 3 409.552 2.054 50 0 HEAAHN CCOC(=O)c1c(C)c(C(N)=O)sc1NC(=O)CNCCc1ccc(F)cc1 ZINC000005938335 568831214 /nfs/dbraw/zinc/83/12/14/568831214.db2.gz ICWWSUSDZRPWQS-UHFFFAOYSA-N 0 3 407.467 2.242 50 0 HEAAHN C[C@@H]1CCCCN1C(=O)C[C@@]1(c2cccc(F)c2)CC(=O)N(CCN(C)C)C1=O ZINC000299769503 568874214 /nfs/dbraw/zinc/87/42/14/568874214.db2.gz RXLFVMSNABCDAN-ZHRRBRCNSA-N 0 3 403.498 2.175 50 0 HEAAHN CCCCN1CCCC[C@@H]1CNC(=O)c1cc(S(=O)(=O)N(CC)CC)cn1C ZINC000058155754 568893114 /nfs/dbraw/zinc/89/31/14/568893114.db2.gz SNCUYUUHOFLXIJ-QGZVFWFLSA-N 0 3 412.600 2.440 50 0 HEAAHN COc1ccc([C@H]2[C@@H](C(=O)NCCN(C)C)c3ccccc3C(=O)N2C)cc1OC ZINC000003661108 568923553 /nfs/dbraw/zinc/92/35/53/568923553.db2.gz NYHXRKIRWTWIRQ-SFTDATJTSA-N 0 3 411.502 2.292 50 0 HEAAHN CC(C)N(C)Cc1nnnn1CC(=O)NC[C@H](c1ccccc1)N1CCCCCC1 ZINC000012763927 568947138 /nfs/dbraw/zinc/94/71/38/568947138.db2.gz MQYLUOWARDUUTJ-HXUWFJFHSA-N 0 3 413.570 2.247 50 0 HEAAHN CC(=O)c1cc(CC(=O)N[C@H]2C3CN4CC2(c2ccccc2)CN(C3)CC4)cs1 ZINC000670467859 568975284 /nfs/dbraw/zinc/97/52/84/568975284.db2.gz RHIWIWOQNALHJK-PHBIXPCASA-N 0 3 409.555 2.177 50 0 HEAAHN COc1ccc(CN2CCN(C3CCN(C(C)=O)CC3)C[C@H]2CCO)c(C)c1C ZINC000107100715 569009214 /nfs/dbraw/zinc/00/92/14/569009214.db2.gz DDPOOZBABWBROU-JOCHJYFZSA-N 0 3 403.567 2.192 50 0 HEAAHN COc1ccc2cc(C(=O)N3CCC([C@H](C)C(=O)NCCN(C)C)CC3)[nH]c2c1 ZINC000015868599 569017377 /nfs/dbraw/zinc/01/73/77/569017377.db2.gz RSQOXCOHJKGWIF-HNNXBMFYSA-N 0 3 400.523 2.343 50 0 HEAAHN Cc1nc(-c2ccc(S(=O)(=O)NCC3CCN([C@H]4CCOC4)CC3)cc2)co1 ZINC000575605268 569032054 /nfs/dbraw/zinc/03/20/54/569032054.db2.gz CDAVFQPASPSLIV-SFHVURJKSA-N 0 3 405.520 2.429 50 0 HEAAHN C[C@H](c1ccccc1)N1CC[C@H](NC(=O)CCn2c3ccccc3c(=O)[nH]c2=O)C1 ZINC000054224651 569061317 /nfs/dbraw/zinc/06/13/17/569061317.db2.gz MRCZQNGIAVWYJZ-AEFFLSMTSA-N 0 3 406.486 2.032 50 0 HEAAHN O=C(NCCCN1CCCCC1)c1cc(=O)nc2sc(N3CCCCCC3)nn21 ZINC000064836630 569104976 /nfs/dbraw/zinc/10/49/76/569104976.db2.gz AWBPWCJGMLKBRO-UHFFFAOYSA-N 0 3 418.567 2.137 50 0 HEAAHN COc1ccc(C(=O)NCc2ccc(CN(C)C)cc2)cc1S(=O)(=O)NC1CC1 ZINC000006983824 569195743 /nfs/dbraw/zinc/19/57/43/569195743.db2.gz RIPWNIOTCRWJPT-UHFFFAOYSA-N 0 3 417.531 2.128 50 0 HEAAHN O=C(NCCN1CCCCC1)C1CCN(c2cnn(Cc3ccccc3)c(=O)c2)CC1 ZINC000065311521 569221445 /nfs/dbraw/zinc/22/14/45/569221445.db2.gz WMWREVFNZJBUDD-UHFFFAOYSA-N 0 3 423.561 2.110 50 0 HEAAHN CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)CNC(=O)c1ccc2c(c1)OCO2 ZINC000170597463 569242081 /nfs/dbraw/zinc/24/20/81/569242081.db2.gz UHIRYFKLLCIKNV-IBGZPJMESA-N 0 3 411.502 2.418 50 0 HEAAHN O=C(NC[C@@H](O)c1ccccc1F)[C@H]1CCCN1C1CCN(CC(F)(F)F)CC1 ZINC000089813224 569266359 /nfs/dbraw/zinc/26/63/59/569266359.db2.gz KHDCPGCENDOWTC-QZTJIDSGSA-N 0 3 417.447 2.466 50 0 HEAAHN O=C(NC[C@H](O)c1ccccc1F)[C@@H]1CCCN1C1CCN(CC(F)(F)F)CC1 ZINC000089813222 569266372 /nfs/dbraw/zinc/26/63/72/569266372.db2.gz KHDCPGCENDOWTC-ROUUACIJSA-N 0 3 417.447 2.466 50 0 HEAAHN CCOC(=O)C1C(CN2CCCC[C@H]2C)=NC(=O)N[C@H]1c1ccc2c(c1)OCO2 ZINC000252430940 569285508 /nfs/dbraw/zinc/28/55/08/569285508.db2.gz UUAOBMKNZCBXPM-YJYMSZOUSA-N 0 3 401.463 2.461 50 0 HEAAHN CC(=O)N1CCN([C@@H]2CCOC3(CCN(C(=O)NC4CCCCC4)CC3)C2)CC1 ZINC000581819721 569320788 /nfs/dbraw/zinc/32/07/88/569320788.db2.gz FAAGIVFQIIAOLS-HXUWFJFHSA-N 0 3 406.571 2.206 50 0 HEAAHN O=C(N[C@H]1CCN(Cc2ccccc2)C1)[C@H](Cc1c[nH]cn1)NC(=O)C1CCCCC1 ZINC000253404731 569365932 /nfs/dbraw/zinc/36/59/32/569365932.db2.gz DOCVFDBFTJOYLG-UNMCSNQZSA-N 0 3 423.561 2.408 50 0 HEAAHN O=C(N[C@H]1CCN(Cc2ccccc2)C1)[C@H](Cc1cnc[nH]1)NC(=O)C1CCCCC1 ZINC000253404731 569365933 /nfs/dbraw/zinc/36/59/33/569365933.db2.gz DOCVFDBFTJOYLG-UNMCSNQZSA-N 0 3 423.561 2.408 50 0 HEAAHN Cc1ccc(S(=O)(=O)N[C@H](CC(C)C)C(=O)Nc2ccn(CCN(C)C)n2)cc1 ZINC000078718515 569419824 /nfs/dbraw/zinc/41/98/24/569419824.db2.gz JIQIPBRQXDTMET-GOSISDBHSA-N 0 3 421.567 2.085 50 0 HEAAHN CCCCc1ccc(C(=O)NCC(=O)N2CCC3(CC2)NCCc2nc[nH]c23)cc1 ZINC000009060337 571217243 /nfs/dbraw/zinc/21/72/43/571217243.db2.gz CURRFANAOCQNBU-UHFFFAOYSA-N 0 3 409.534 2.146 50 0 HEAAHN Cc1ccc(N2CCn3c4c(nc32)n(C)c(=O)n(CCN2CCCCC2)c4=O)cc1C ZINC000009157062 571231918 /nfs/dbraw/zinc/23/19/18/571231918.db2.gz TYGJLHWKJMZDCU-UHFFFAOYSA-N 0 3 422.533 2.151 50 0 HEAAHN Cc1ccc(N2CCn3c4c(nc32)n(C)c(=O)n(CCN2CCCCC2)c4=O)c(C)c1 ZINC000009157063 571231950 /nfs/dbraw/zinc/23/19/50/571231950.db2.gz ZKBDYEBUXOXHTB-UHFFFAOYSA-N 0 3 422.533 2.151 50 0 HEAAHN Cc1nc(N2CCN(C)CC2)cc(N2CCN(C(=O)c3ccc(Cl)cc3)CC2)n1 ZINC000021794602 132473247 /nfs/dbraw/zinc/47/32/47/132473247.db2.gz BPKHTRURCJJTHU-UHFFFAOYSA-N 0 3 414.941 2.153 50 0 HEAAHN CCCCNc1nc(OC(C(F)(F)F)C(F)(F)F)nc(N2CCNCC2)n1 ZINC000002495682 535296031 /nfs/dbraw/zinc/29/60/31/535296031.db2.gz BKCZECLCJIGYJF-UHFFFAOYSA-N 0 3 402.343 2.365 50 0 HEAAHN COc1ccccc1N1CCN([C@H]2CCCN(C(=O)C3CCN(C)CC3)C2)CC1 ZINC000011668100 537071004 /nfs/dbraw/zinc/07/10/04/537071004.db2.gz PNHOSGSMCMTIGZ-FQEVSTJZSA-N 0 3 400.567 2.150 50 0 HEAAHN CCOc1cc(CNCCNC(=O)c2nonc2N)ccc1OCc1ccccc1 ZINC000008254627 557778695 /nfs/dbraw/zinc/77/86/95/557778695.db2.gz BUIDCGZXNMLVQI-UHFFFAOYSA-N 0 3 411.462 2.149 50 0 HEAAHN COc1cc2cc(C(=O)N3CCC(C(N)=O)(N4CCCCC4)CC3)[nH]c2cc1OC ZINC000009482650 557844041 /nfs/dbraw/zinc/84/40/41/557844041.db2.gz GNPZDCZKUPLSRM-UHFFFAOYSA-N 0 3 414.506 2.131 50 0 HEAAHN O=C(NCCc1nnc2n1CCN(Cc1ccc3ccccc3c1)CC2)[C@@H]1CCCO1 ZINC000019741489 558261948 /nfs/dbraw/zinc/26/19/48/558261948.db2.gz OCOMGZYIXHHSQN-NRFANRHFSA-N 0 3 419.529 2.327 50 0 HEAAHN CCN(C[C@@H]1CCCN(CCc2cccc(F)c2)C1)C(=O)c1ccc(=O)n(C)n1 ZINC000011818449 558281561 /nfs/dbraw/zinc/28/15/61/558281561.db2.gz LFWKUXKVMAEXRA-GOSISDBHSA-N 0 3 400.498 2.336 50 0 HEAAHN O[C@@H](COc1ccccc1CN1CCN(CC2CC2)CC1)CN1CCSCC1 ZINC000019788489 558282027 /nfs/dbraw/zinc/28/20/27/558282027.db2.gz OMYKIIJJBRDWNZ-OAQYLSRUSA-N 0 3 405.608 2.003 50 0 HEAAHN C[C@@H]1CN(C(=O)c2nc3sccn3c2CNCCOc2cccnc2)C[C@H](C)O1 ZINC000011935110 558299091 /nfs/dbraw/zinc/29/90/91/558299091.db2.gz AOIVKLLEMLCHEA-GASCZTMLSA-N 0 3 415.519 2.209 50 0 HEAAHN O=C(c1cn(CCN2CCCCC2)nn1)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000012072894 558317987 /nfs/dbraw/zinc/31/79/87/558317987.db2.gz UDMXWWGYEBUVHF-JXMROGBWSA-N 0 3 408.550 2.235 50 0 HEAAHN Cc1ccc(-c2nc(SCCN3CCCC3)c3c(=O)n(C)c(=O)n(C)c3n2)cc1 ZINC000004341330 558425007 /nfs/dbraw/zinc/42/50/07/558425007.db2.gz ZKICVTXAQRJATN-UHFFFAOYSA-N 0 3 411.531 2.191 50 0 HEAAHN O=C1N(Cc2ccc(F)c(F)c2)CCC[C@@]1(O)CN1CCN(C2CCCC2)CC1 ZINC000020993910 558426556 /nfs/dbraw/zinc/42/65/56/558426556.db2.gz UKRNFLWJYRVAIR-JOCHJYFZSA-N 0 3 407.505 2.379 50 0 HEAAHN COCCOC1CCN(C(=O)c2ccc(OC3CCN(C)CC3)c(OC)c2)CC1 ZINC000012583264 558433338 /nfs/dbraw/zinc/43/33/38/558433338.db2.gz VPVCXTNYNXNJTC-UHFFFAOYSA-N 0 3 406.523 2.436 50 0 HEAAHN COc1ccc(C(=O)N2CCN(c3cc(N4CCCC4)nc(C)n3)CC2)cc1OC ZINC000021793630 558449257 /nfs/dbraw/zinc/44/92/57/558449257.db2.gz ZQFUIWNXEPSQQN-UHFFFAOYSA-N 0 3 411.506 2.365 50 0 HEAAHN CCN1CCN(C2CCN(C(=O)c3cn(Cc4ccccc4Cl)nn3)CC2)CC1 ZINC000022852963 558517253 /nfs/dbraw/zinc/51/72/53/558517253.db2.gz HWVKNQSZYYVODE-UHFFFAOYSA-N 0 3 416.957 2.222 50 0 HEAAHN CN(C)[C@H](CNC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1)Cc1ccccc1 ZINC000024551720 558601065 /nfs/dbraw/zinc/60/10/65/558601065.db2.gz MJXCDTOUIOPLSU-HKUYNNGSSA-N 0 3 409.486 2.057 50 0 HEAAHN O=C(Nc1ccc2c(c1)CCC2)[C@H]1CNC[C@@H](C(=O)NCc2ccc3c(c2)OCO3)C1 ZINC000014538176 558658956 /nfs/dbraw/zinc/65/89/56/558658956.db2.gz BSCSLGSFCLMHMM-RBUKOAKNSA-N 0 3 421.497 2.385 50 0 HEAAHN C[C@H]1CCCCN1CCN(CCC(=O)N1CCNCC1)C(=O)c1ccc(Cl)cc1 ZINC000035422039 558791891 /nfs/dbraw/zinc/79/18/91/558791891.db2.gz AOOBMHJPGAYGLX-SFHVURJKSA-N 0 3 420.985 2.479 50 0 HEAAHN CCN(CC)CC(=O)N1CCC[C@@H](CCC(=O)N2CCN(c3ccccn3)CC2)C1 ZINC000019148096 558847110 /nfs/dbraw/zinc/84/71/10/558847110.db2.gz SITJRXGMSWMIKX-FQEVSTJZSA-N 0 3 415.582 2.091 50 0 HEAAHN CN(C)S(=O)(=O)c1ccc(C(=O)Nc2ccc(N3CCCN(C)CC3)c(F)c2)o1 ZINC000058155679 558902860 /nfs/dbraw/zinc/90/28/60/558902860.db2.gz JMMCXBCIRYEYNE-UHFFFAOYSA-N 0 3 424.498 2.063 50 0 HEAAHN CN(C)CCN(C)C(=O)C[C@H]1C(=O)NCCN1Cc1ccc(-c2ccccc2)cc1 ZINC000072125701 558928332 /nfs/dbraw/zinc/92/83/32/558928332.db2.gz GQZMZDHDPHXSBX-QFIPXVFZSA-N 0 3 408.546 2.064 50 0 HEAAHN CN1CCC(NC(=O)c2ccc(N(Cc3ccccc3)S(C)(=O)=O)cc2)CC1 ZINC000065362415 558973269 /nfs/dbraw/zinc/97/32/69/558973269.db2.gz GCWACMRQSOMCSK-UHFFFAOYSA-N 0 3 401.532 2.477 50 0 HEAAHN CC[C@@H](C(=O)NC1CCN(C)CC1)N(c1cc(Cl)ccc1C)S(C)(=O)=O ZINC000065364760 558976022 /nfs/dbraw/zinc/97/60/22/558976022.db2.gz SUUPBRYMQJSLEN-INIZCTEOSA-N 0 3 401.960 2.403 50 0 HEAAHN Cc1nc(N2CCN(C)CC2)cc(N2CCN(C(=O)CCCc3ccccc3)CC2)n1 ZINC000072436827 558980047 /nfs/dbraw/zinc/98/00/47/558980047.db2.gz FIRUWFCAWGTDTJ-UHFFFAOYSA-N 0 3 422.577 2.208 50 0 HEAAHN CN1CCC(NC(=O)CN(c2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)CC1 ZINC000067622615 558989918 /nfs/dbraw/zinc/98/99/18/558989918.db2.gz FKKBLTPXBOFOGS-UHFFFAOYSA-N 0 3 417.531 2.455 50 0 HEAAHN CC(C)[C@@H](N)C(=O)N1CCc2cc(S(=O)(=O)NCc3cccs3)ccc2C1 ZINC000077322699 559001452 /nfs/dbraw/zinc/00/14/52/559001452.db2.gz YYIBXTRZPLRHQN-GOSISDBHSA-N 0 3 407.561 2.095 50 0 HEAAHN CCN1CCCN(C(=O)[C@@H]2[C@H]3C(=O)N(Cc4ccc(C)c(C)c4)C[C@@]34C=C[C@@H]2O4)CC1 ZINC000077375481 559002565 /nfs/dbraw/zinc/00/25/65/559002565.db2.gz LYGNIDUYNAQGKK-UEOMBKFZSA-N 0 3 423.557 2.140 50 0 HEAAHN CN[C@@H](C)C(=O)N1CCc2ccc(S(=O)(=O)N3CCCc4ccccc43)cc2C1 ZINC000077471299 559006589 /nfs/dbraw/zinc/00/65/89/559006589.db2.gz ZPFNBGUUJBZHEL-INIZCTEOSA-N 0 3 413.543 2.321 50 0 HEAAHN CN(C)C(=O)N1CC[C@]2(O)CCN(Cc3c[nH]nc3-c3cccc(F)c3)C[C@@H]2C1 ZINC000095355741 559079932 /nfs/dbraw/zinc/07/99/32/559079932.db2.gz KFCMACKDMNSLLR-DYESRHJHSA-N 0 3 401.486 2.156 50 0 HEAAHN COc1ccc(CN(C)Cc2cnn(C)c2)cc1OC[C@@H](O)CN1CCCCC1 ZINC000095510913 559083776 /nfs/dbraw/zinc/08/37/76/559083776.db2.gz OOMXETGNNJSSNB-FQEVSTJZSA-N 0 3 402.539 2.286 50 0 HEAAHN CCN(CC)CCn1c2c(c(SCC(=O)NCc3ccccc3)nc1=O)CCC2 ZINC000005254221 560551996 /nfs/dbraw/zinc/55/19/96/560551996.db2.gz ZSTSBESHUAJUGN-UHFFFAOYSA-N 0 3 414.575 2.482 50 0 HEAAHN CN(C)C1(CNc2c(=O)c(=O)c2N2CCN(Cc3ccccc3)CC2)CCCCC1 ZINC000101697507 560798370 /nfs/dbraw/zinc/79/83/70/560798370.db2.gz JOMRNSISCUZZKG-UHFFFAOYSA-N 0 3 410.562 2.281 50 0 HEAAHN COc1ccccc1NC(=O)C1CC(=O)Nc2c1c(=O)[nH]c(=O)n2Cc1ccccc1 ZINC000049551810 568452099 /nfs/dbraw/zinc/45/20/99/568452099.db2.gz GGZWQNKFRNTCBK-CQSZACIVSA-N 0 3 420.425 2.308 50 0 HEAAHN O=C(C[C@@H]1Oc2ccccc2NC1=O)NCCCN1CCN(Cc2ccccc2)CC1 ZINC000020379672 568602446 /nfs/dbraw/zinc/60/24/46/568602446.db2.gz VFONFGSEMATNSU-QFIPXVFZSA-N 0 3 422.529 2.100 50 0 HEAAHN CC(C)(C)NC(=O)NC(=O)CNC(C)(C)COc1ncccc1Br ZINC000095456048 568617323 /nfs/dbraw/zinc/61/73/23/568617323.db2.gz CBVZGRNIYRCNSO-UHFFFAOYSA-N 0 3 401.305 2.215 50 0 HEAAHN CC(C)C(=O)N1CCCC[C@@H]1C(=O)Nc1cccc(CCN2CCN(C)CC2)c1 ZINC000095457792 568618714 /nfs/dbraw/zinc/61/87/14/568618714.db2.gz CKCOELGJKFFRSR-OAQYLSRUSA-N 0 3 400.567 2.452 50 0 HEAAHN O=C(Cn1c(=O)cnc2ccccc21)NCCc1ccc(OCCN2CCCC2)cc1 ZINC000095460112 568620052 /nfs/dbraw/zinc/62/00/52/568620052.db2.gz QEZFQSRUAHQEOA-UHFFFAOYSA-N 0 3 420.513 2.230 50 0 HEAAHN Cc1cc2n(n1)CCC(=O)N2CCCC(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000020943942 568653165 /nfs/dbraw/zinc/65/31/65/568653165.db2.gz VAFRHHPXLYAKTN-UHFFFAOYSA-N 0 3 409.534 2.489 50 0 HEAAHN NC(=O)c1ccc(S(=O)(=O)NC[C@H]2CCCN(CCc3ccccc3)C2)cc1 ZINC000670445333 568911219 /nfs/dbraw/zinc/91/12/19/568911219.db2.gz PLIIEAPJDUYFDM-GOSISDBHSA-N 0 3 401.532 2.019 50 0 HEAAHN COc1ccc(F)c(F)c1C(=O)N[C@H]1C2CN3CC1(c1ccccc1)CN(C2)CC3 ZINC000670458539 568944673 /nfs/dbraw/zinc/94/46/73/568944673.db2.gz UELOEBPFOZBHQE-UDOFLQGHSA-N 0 3 413.468 2.271 50 0 HEAAHN CC(C)S(=O)(=O)C(C)C(=O)NCc1cc(Br)c2c(c1)OCCO2 ZINC000084622108 568953369 /nfs/dbraw/zinc/95/33/69/568953369.db2.gz PEPNEESOWQDRBV-SNVBAGLBSA-N 0 3 406.298 2.048 50 0 HEAAHN CC(C)S(=O)(=O)C(C)C(=O)NCc1cc(Br)c2c(c1)OCCO2 ZINC000084622106 568953444 /nfs/dbraw/zinc/95/34/44/568953444.db2.gz PEPNEESOWQDRBV-JTQLQIEISA-N 0 3 406.298 2.048 50 0 HEAAHN COCC1CCN(S(=O)(=O)NC[C@H]2CCCN(CCc3ccccc3)C2)CC1 ZINC000670468617 568977349 /nfs/dbraw/zinc/97/73/49/568977349.db2.gz MSFARYGUTHDFBO-OAQYLSRUSA-N 0 3 409.596 2.134 50 0 HEAAHN CCN1CCC[C@@H]1CNC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1OC ZINC000012421771 568991245 /nfs/dbraw/zinc/99/12/45/568991245.db2.gz OWMDPSGCSJAQMJ-MRXNPFEDSA-N 0 3 409.552 2.084 50 0 HEAAHN C[C@@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(Cl)c(C(=O)NCCN(C)C)c2)C1 ZINC000008328574 568992707 /nfs/dbraw/zinc/99/27/07/568992707.db2.gz CAFCLGSVBUUFRR-OKILXGFUSA-N 0 3 401.960 2.298 50 0 HEAAHN O=C(CN1CC[C@H]2CCCC[C@H]2C1)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000242273631 569055025 /nfs/dbraw/zinc/05/50/25/569055025.db2.gz YENCCWUXGFEIHT-MOPGFXCFSA-N 0 3 405.564 2.032 50 0 HEAAHN COCCOC(=O)Nc1cccc(NC(=O)NC2CCN(CCN(C)C)CC2)c1 ZINC000089314318 569058458 /nfs/dbraw/zinc/05/84/58/569058458.db2.gz DTJZBKXOKNEELT-UHFFFAOYSA-N 0 3 407.515 2.029 50 0 HEAAHN COc1ccc(-c2cc(C(=O)N3CCCC[C@H]3C(=O)NCCN(C)C)no2)cc1 ZINC000035989281 569074401 /nfs/dbraw/zinc/07/44/01/569074401.db2.gz NJDSPTCQJJUUKU-SFHVURJKSA-N 0 3 400.479 2.023 50 0 HEAAHN Cc1c2c(nn1-c1ccccc1)c(C)nn(CC(=O)NCCN1CCCC[C@@H]1C)c2=O ZINC000064970750 569138816 /nfs/dbraw/zinc/13/88/16/569138816.db2.gz CFGCMCPFLIRTTI-INIZCTEOSA-N 0 3 422.533 2.190 50 0 HEAAHN Cc1c2c(nn1-c1ccccc1)c(C)nn(CC(=O)NCCN1CCCC[C@H]1C)c2=O ZINC000064970751 569138851 /nfs/dbraw/zinc/13/88/51/569138851.db2.gz CFGCMCPFLIRTTI-MRXNPFEDSA-N 0 3 422.533 2.190 50 0 HEAAHN O=C(NCCN1CCCCCC1)C1CCN(c2cncnc2N2CCCC2)CC1 ZINC000065226419 569199873 /nfs/dbraw/zinc/19/98/73/569199873.db2.gz FRZSQAFNHQFPGY-UHFFFAOYSA-N 0 3 400.571 2.285 50 0 HEAAHN CCNC(=O)Nc1ccc(OCC(=O)NC2CCN(Cc3ccccc3)CC2)nc1 ZINC000065245786 569205457 /nfs/dbraw/zinc/20/54/57/569205457.db2.gz UAZNARJUAZJPFO-UHFFFAOYSA-N 0 3 411.506 2.383 50 0 HEAAHN CCOC(=O)N1CCN(C(=O)c2ccnc(N3CCN[C@@H](c4ccccc4)C3)c2)CC1 ZINC000065255906 569208011 /nfs/dbraw/zinc/20/80/11/569208011.db2.gz CTMBTTMFXMOMSI-HXUWFJFHSA-N 0 3 423.517 2.147 50 0 HEAAHN Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)NCc1cc(-c2ccccc2)no1 ZINC000170598340 569242366 /nfs/dbraw/zinc/24/23/66/569242366.db2.gz PROBEOSYVKJBKR-UHFFFAOYSA-N 0 3 403.508 2.195 50 0 HEAAHN COc1ccc(C(=O)N[C@@H](CN(C)C)c2ccccc2)cc1S(=O)(=O)NC1CC1 ZINC000007818170 569312819 /nfs/dbraw/zinc/31/28/19/569312819.db2.gz OPPMZYGHMDSNPK-SFHVURJKSA-N 0 3 417.531 2.169 50 0 HEAAHN CC(=O)N1CCN([C@H]2CCOC3(CCN(C(=O)CCc4ccccc4)CC3)C2)CC1 ZINC000581819739 569320703 /nfs/dbraw/zinc/32/07/03/569320703.db2.gz GSNRFEKLWZGCHK-QFIPXVFZSA-N 0 3 413.562 2.324 50 0 HEAAHN Cc1noc(C)c1C(=O)N1CCC2(CC1)C[C@H](N1CCN(C(C)C)CC1)CCO2 ZINC000581820195 569321182 /nfs/dbraw/zinc/32/11/82/569321182.db2.gz XJFZMKIPQHVQNT-LJQANCHMSA-N 0 3 404.555 2.471 50 0 HEAAHN CCOC(=O)C1C(CN2CCCC[C@@H]2C)=NC(=O)N[C@@H]1c1ccc2c(c1)OCO2 ZINC000054979054 569372946 /nfs/dbraw/zinc/37/29/46/569372946.db2.gz UUAOBMKNZCBXPM-ORAYPTAESA-N 0 3 401.463 2.461 50 0 HEAAHN C[C@H](NS(=O)(=O)c1cccs1)C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000040088173 571158611 /nfs/dbraw/zinc/15/86/11/571158611.db2.gz XFNGIYKRMGJZOY-HNNXBMFYSA-N 0 3 407.561 2.196 50 0 HEAAHN CCOc1ccc(N2C(=O)C[C@@H](NC3CCN(c4nc(C)cc(C)n4)CC3)C2=O)cc1 ZINC000004738688 132286398 /nfs/dbraw/zinc/28/63/98/132286398.db2.gz VERTZIHUFUOUNW-HXUWFJFHSA-N 0 3 423.517 2.383 50 0 HEAAHN CCN1CCN(CCCNC(=O)c2cccc(I)c2)CC1 ZINC000041443386 521680784 /nfs/dbraw/zinc/68/07/84/521680784.db2.gz DOIZBWANWKHIDP-UHFFFAOYSA-N 0 3 401.292 2.049 50 0 HEAAHN CCN1CCN(CCCNC(=O)c2cnn(-c3ccccc3)c2-n2cccc2)CC1 ZINC000020559361 521681606 /nfs/dbraw/zinc/68/16/06/521681606.db2.gz RNQVBFYPGNNLPA-UHFFFAOYSA-N 0 3 406.534 2.420 50 0 HEAAHN CCN1CCN(c2ccc(NC(=O)[C@@H](Cc3ccccc3)NC(N)=O)cc2C)CC1 ZINC000032843060 521698925 /nfs/dbraw/zinc/69/89/25/521698925.db2.gz TWJKJIJUAFGVCS-HXUWFJFHSA-N 0 3 409.534 2.355 50 0 HEAAHN CCOc1ccc2nc(N3CCC(N[C@H]4CCS(=O)(=O)C4)CC3)nc(C)c2c1 ZINC000012212277 535442985 /nfs/dbraw/zinc/44/29/85/535442985.db2.gz BPMXNUMQSSNLGM-INIZCTEOSA-N 0 3 404.536 2.082 50 0 HEAAHN O[C@@H](CNC[C@H](O)[C@@H]1CCc2cc(F)ccc2O1)[C@H]1CCc2cc(F)ccc2O1 ZINC000003798603 557498738 /nfs/dbraw/zinc/49/87/38/557498738.db2.gz KOHIRBRYDXPAMZ-YHDSQAASSA-N 0 3 405.441 2.364 50 0 world HEAAHN C/C(=C\c1ccccc1)CN1CCc2nnc(CCNC(=O)[C@@H]3CCCO3)n2CC1 ZINC000012150371 558338905 /nfs/dbraw/zinc/33/89/05/558338905.db2.gz DQQHDMPPLCVEFF-IETCZJMGSA-N 0 3 409.534 2.077 50 0 HEAAHN c1ccc(CNc2nc3nonc3nc2N2CCC(CN3CCOCC3)CC2)cc1 ZINC000020451314 558365788 /nfs/dbraw/zinc/36/57/88/558365788.db2.gz GCAYCQQTYOZWSG-UHFFFAOYSA-N 0 3 409.494 2.174 50 0 HEAAHN Cc1cccn2c(CNC[C@@H](C)Oc3cccnc3)c(C(=O)N3CCOCC3)nc12 ZINC000012433673 558407563 /nfs/dbraw/zinc/40/75/63/558407563.db2.gz RQXLDTFGSROPNH-QGZVFWFLSA-N 0 3 409.490 2.067 50 0 HEAAHN O=C(NCCc1nnc2n1CCN(Cc1cccc3ccccc31)CC2)[C@@H]1CCCO1 ZINC000020909621 558421822 /nfs/dbraw/zinc/42/18/22/558421822.db2.gz KTDVMZBCPDMGAU-NRFANRHFSA-N 0 3 419.529 2.327 50 0 HEAAHN CCN1C(=O)C(=C(C)NC[C@H](c2ccc(OC)cc2)N(C)C)C(=O)N(CC)C1=S ZINC000021577264 558441963 /nfs/dbraw/zinc/44/19/63/558441963.db2.gz NJNUKJBVJFLPLS-QGZVFWFLSA-N 0 3 418.563 2.157 50 0 HEAAHN COc1ccc([C@@H](CNC[C@@H](O)COc2ccc(C)cc2)N2CCOCC2)cc1 ZINC000022034595 558459332 /nfs/dbraw/zinc/45/93/32/558459332.db2.gz OXBVTFZPCZPEAI-NFBKMPQASA-N 0 3 400.519 2.406 50 0 HEAAHN COc1ccc(C(=O)NCC(=O)NC[C@H](c2ccccc2)N2CCCC2)cc1OC ZINC000023740147 558572766 /nfs/dbraw/zinc/57/27/66/558572766.db2.gz WMZXQWLXGGACDT-LJQANCHMSA-N 0 3 411.502 2.387 50 0 HEAAHN COc1ccc(CCN2C(=O)N(CC(C)C)C(=O)C23CCN([C@H](C)CO)CC3)cc1 ZINC000014749704 558670414 /nfs/dbraw/zinc/67/04/14/558670414.db2.gz YHQYSHCBOOMELO-GOSISDBHSA-N 0 3 417.550 2.373 50 0 HEAAHN Cc1ccccc1CN1CCCN(C(=O)[C@H](Cc2ccccc2)n2cnnn2)CC1 ZINC000027389970 558672864 /nfs/dbraw/zinc/67/28/64/558672864.db2.gz GTUAQWBLMZIFIK-QFIPXVFZSA-N 0 3 404.518 2.500 50 0 HEAAHN Cc1ccc(-n2ncc(C(=O)NCCCN3CCN(C)CC3)c2-n2cccc2)cc1 ZINC000022936530 558673014 /nfs/dbraw/zinc/67/30/14/558673014.db2.gz SUJGGWGVZKESIH-UHFFFAOYSA-N 0 3 406.534 2.339 50 0 HEAAHN COc1ccccc1CCN1CCC[C@H](CN(C)C(=O)CN2CCCCC2=O)C1 ZINC000014965786 558685683 /nfs/dbraw/zinc/68/56/83/558685683.db2.gz SBFCFARETAJERW-LJQANCHMSA-N 0 3 401.551 2.421 50 0 HEAAHN COCCNC(=O)c1ccc(OC)cc1OC1CCN([C@H](C)CCC(=O)OC)CC1 ZINC000014980105 558690875 /nfs/dbraw/zinc/69/08/75/558690875.db2.gz DPGLWNVTZMVAJH-MRXNPFEDSA-N 0 3 422.522 2.256 50 0 HEAAHN COCCNC(=O)c1ccc(OC)cc1OC1CCN([C@@H](C)CCC(=O)OC)CC1 ZINC000014980102 558690916 /nfs/dbraw/zinc/69/09/16/558690916.db2.gz DPGLWNVTZMVAJH-INIZCTEOSA-N 0 3 422.522 2.256 50 0 HEAAHN COc1cccc([C@]2(CC(=O)N3CCCCCC3)CC(=O)N(CCN(C)C)C2=O)c1 ZINC000014987032 558693026 /nfs/dbraw/zinc/69/30/26/558693026.db2.gz MUFQBUTYODLAKA-QHCPKHFHSA-N 0 3 415.534 2.046 50 0 HEAAHN O[C@@H](COc1cccc(CNCc2ccc(F)cc2F)c1)CN1CCC(O)CC1 ZINC000015077475 558717135 /nfs/dbraw/zinc/71/71/35/558717135.db2.gz KOWFBKKCEVLLFO-HXUWFJFHSA-N 0 3 406.473 2.451 50 0 HEAAHN COC(=O)CSc1nn2c(nc3c(c2=O)CN(CCc2ccccc2)CC3)s1 ZINC000015414143 558738805 /nfs/dbraw/zinc/73/88/05/558738805.db2.gz SMFNDVXKKAEXTL-UHFFFAOYSA-N 0 3 416.528 2.017 50 0 HEAAHN O=C(CN1C[C@@H](O)[C@@H](N2CCCC2)C1)N(CCc1ccccc1)Cc1cccs1 ZINC000072308556 558769751 /nfs/dbraw/zinc/76/97/51/558769751.db2.gz CHJKWUIGTDHSGX-FCHUYYIVSA-N 0 3 413.587 2.460 50 0 HEAAHN CCCn1c(=O)[n-]c(=O)c2c(C(=O)NC[C@H]3CC[N@@H+](C(C)C)C3)cc(C(C)C)nc21 ZINC000058049052 558896671 /nfs/dbraw/zinc/89/66/71/558896671.db2.gz OCVYDRCJJJVZPA-OAHLLOKOSA-N 0 3 415.538 2.078 50 0 HEAAHN CCCn1c(=O)[n-]c(=O)c2c(C(=O)NC[C@H]3CC[N@H+](C(C)C)C3)cc(C(C)C)nc21 ZINC000058049052 558896674 /nfs/dbraw/zinc/89/66/74/558896674.db2.gz OCVYDRCJJJVZPA-OAHLLOKOSA-N 0 3 415.538 2.078 50 0 HEAAHN CCS(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccc(OC3CCN(C)CC3)cc2)C1 ZINC000065362490 558973284 /nfs/dbraw/zinc/97/32/84/558973284.db2.gz WNYUUIWEEZZACN-MRXNPFEDSA-N 0 3 409.552 2.160 50 0 HEAAHN Cc1ccccc1N(CC(=O)NC1CCN(C)CC1)S(=O)(=O)c1ccccc1 ZINC000065365620 558976689 /nfs/dbraw/zinc/97/66/89/558976689.db2.gz RKNBMZFMSPHDKU-UHFFFAOYSA-N 0 3 401.532 2.401 50 0 HEAAHN C[C@H](NS(=O)(=O)c1ccc(F)cc1)C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000017363128 560712744 /nfs/dbraw/zinc/71/27/44/560712744.db2.gz IHRCOYIRCCNSOX-INIZCTEOSA-N 0 3 419.522 2.273 50 0 HEAAHN CN(C(=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1)C1CCN(C)CC1 ZINC000005668683 560749948 /nfs/dbraw/zinc/74/99/48/560749948.db2.gz HVNFVVVLSLNAAQ-UHFFFAOYSA-N 0 3 401.532 2.331 50 0 HEAAHN COC(=O)C1C(CN2CCN(CC(C)C)CC2)=NC(=O)N[C@@H]1c1ccc(C)cc1 ZINC000051318434 560858537 /nfs/dbraw/zinc/85/85/37/560858537.db2.gz GLWPOJMGPRCYEJ-HXUWFJFHSA-N 0 3 400.523 2.050 50 0 HEAAHN CCCN1CCN(CC2=NC(=O)N[C@H](c3ccc(C)cc3)C2C(=O)OCC)CC1 ZINC000051318481 560858687 /nfs/dbraw/zinc/85/86/87/560858687.db2.gz ZPGFYUBLBQRCQB-HXUWFJFHSA-N 0 3 400.523 2.194 50 0 HEAAHN CCCN1CCN(CC2=C(C(=O)OCC)[C@@H](c3ccc(C)cc3)NC(=O)N2)CC1 ZINC000051318481 560858688 /nfs/dbraw/zinc/85/86/88/560858688.db2.gz ZPGFYUBLBQRCQB-HXUWFJFHSA-N 0 3 400.523 2.194 50 0 HEAAHN Cc1nn(-c2ccccc2)c(-n2cccc2)c1C(=O)NCCCN1CCN(C)CC1 ZINC000020415996 568606161 /nfs/dbraw/zinc/60/61/61/568606161.db2.gz TYRNNLXYQKYMCZ-UHFFFAOYSA-N 0 3 406.534 2.339 50 0 HEAAHN CCN1CCN(CCCNC(=O)CCC(=O)N2C[C@H](C)Oc3ccc(C)cc32)CC1 ZINC000020466112 568610327 /nfs/dbraw/zinc/61/03/27/568610327.db2.gz YWWPYKCJOQGVEY-IBGZPJMESA-N 0 3 416.566 2.033 50 0 HEAAHN Cc1ccc(C(=O)N2CCC[C@@H](C(=O)NC(C)(C)CCN3CCN(C)CC3)C2)cc1 ZINC000225393095 568633697 /nfs/dbraw/zinc/63/36/97/568633697.db2.gz WGLNHJOLUZBBJB-OAQYLSRUSA-N 0 3 414.594 2.380 50 0 HEAAHN CCN1CCN(CCCNC(=O)c2ccc3c(c2)NC(=O)[C@H](CC(C)C)N3)CC1 ZINC000020682689 568640120 /nfs/dbraw/zinc/64/01/20/568640120.db2.gz DVHDGKCNXRFNDV-FQEVSTJZSA-N 0 3 401.555 2.223 50 0 HEAAHN O=C(Nc1ccc(OC(F)(F)F)cc1)N1CCC(N[C@H]2CCS(=O)(=O)C2)CC1 ZINC000095971977 568671617 /nfs/dbraw/zinc/67/16/17/568671617.db2.gz XFBPMFNMJDXQEM-AWEZNQCLSA-N 0 3 421.441 2.358 50 0 HEAAHN O=C(NCCCN1CCc2ccccc2C1)c1nnn2c1c(=O)[nH]c1cc(F)ccc12 ZINC000096397700 568746300 /nfs/dbraw/zinc/74/63/00/568746300.db2.gz BLVRGTZHDKDGAO-UHFFFAOYSA-N 0 3 420.448 2.300 50 0 HEAAHN COc1cc2c(cc1OC)[C@H]1[C@H](C(=O)NCCN(C)C)c3ccccc3C(=O)N1CC2 ZINC000002468426 568772922 /nfs/dbraw/zinc/77/29/22/568772922.db2.gz QTQXEGNQRSHSGD-YADHBBJMSA-N 0 3 423.513 2.218 50 0 HEAAHN CCOC(=O)C1C(CNCCCC(=O)OC)=NC(=O)N[C@H]1c1ccc(SC)cc1 ZINC000057531523 568852395 /nfs/dbraw/zinc/85/23/95/568852395.db2.gz SBYDOMVEVJSNMK-SFHVURJKSA-N 0 3 421.519 2.122 50 0 HEAAHN NC(=O)[C@@H]1CC(C(=O)NC[C@H]2CCCCN2Cc2ccccc2)=NN1c1ccccc1 ZINC000057991321 568873140 /nfs/dbraw/zinc/87/31/40/568873140.db2.gz ZEHBMWWUZJHNST-IRLDBZIGSA-N 0 3 419.529 2.278 50 0 HEAAHN Cc1ccccc1CN1CCc2nnc(CNS(=O)(=O)c3ccccc3)n2CC1 ZINC000299785437 568875479 /nfs/dbraw/zinc/87/54/79/568875479.db2.gz ZLAGYRJZSLWNKI-UHFFFAOYSA-N 0 3 411.531 2.123 50 0 HEAAHN CSCCCN1CCN(c2cccc3c2C(=O)N(CCn2cccn2)C3=O)CC1 ZINC000299786401 568875672 /nfs/dbraw/zinc/87/56/72/568875672.db2.gz TVFOBIYLGBHAOF-UHFFFAOYSA-N 0 3 413.547 2.054 50 0 HEAAHN O=C(N[C@H]1C2CN3CC1(c1ccccc1)CN(C2)CC3)c1cc(F)c(F)cc1F ZINC000670438246 568883583 /nfs/dbraw/zinc/88/35/83/568883583.db2.gz ORGDTAHFBRXDDS-HXYQTYRISA-N 0 3 401.432 2.401 50 0 HEAAHN COCCN1C(=O)c2ccccc2[C@@H](C(=O)NCCN(C)C)[C@@H]1c1ccc(F)cc1 ZINC000003657266 568923051 /nfs/dbraw/zinc/92/30/51/568923051.db2.gz AQSGOOFHJWXOPI-RTWAWAEBSA-N 0 3 413.493 2.431 50 0 HEAAHN COc1ccc([C@@H]2[C@@H](C(=O)NCCN(C)C)c3ccccc3C(=O)N2C)cc1OC ZINC000003661110 568923607 /nfs/dbraw/zinc/92/36/07/568923607.db2.gz NYHXRKIRWTWIRQ-LEWJYISDSA-N 0 3 411.502 2.292 50 0 HEAAHN O=C(CN1CCN(c2ncccn2)CC1)NC[C@H](c1ccccc1)N1CCCCCC1 ZINC000670461418 568951610 /nfs/dbraw/zinc/95/16/10/568951610.db2.gz VSOHPYSETDPTIA-JOCHJYFZSA-N 0 3 422.577 2.332 50 0 HEAAHN Cc1nc(N2CCCCC2)cc(N2CCN(S(=O)(=O)c3ccccc3)CC2)n1 ZINC000015671275 568961626 /nfs/dbraw/zinc/96/16/26/568961626.db2.gz NYQDMZVQKXALHC-UHFFFAOYSA-N 0 3 401.536 2.286 50 0 HEAAHN CCCCCN1CCN(c2nc3c(c(=O)[nH]c(=O)n3C)n2Cc2cccc(C)c2)CC1 ZINC000004316500 568962134 /nfs/dbraw/zinc/96/21/34/568962134.db2.gz RHNADGIDIZOAHT-UHFFFAOYSA-N 0 3 424.549 2.092 50 0 HEAAHN O=S(=O)(c1ccc(NC[C@@H](c2ccccc2)N2CCCC2)nc1)N1CCOCC1 ZINC000007980178 568963422 /nfs/dbraw/zinc/96/34/22/568963422.db2.gz HZUNBGRHLSDHDA-FQEVSTJZSA-N 0 3 416.547 2.352 50 0 HEAAHN O=S(=O)(c1ccc(NC[C@@H](c2cccs2)N2CCCC2)nc1)N1CCOCC1 ZINC000012850416 569010381 /nfs/dbraw/zinc/01/03/81/569010381.db2.gz ADZXHAQKWDXVFH-KRWDZBQOSA-N 0 3 422.576 2.413 50 0 HEAAHN C[C@@H]1Cn2c3c(nc2N(c2ccccc2)C1)n(C)c(=O)n(CCN1CCCCC1)c3=O ZINC000006571805 569066660 /nfs/dbraw/zinc/06/66/60/569066660.db2.gz AKEUOHZYTLAVGQ-KRWDZBQOSA-N 0 3 422.533 2.170 50 0 HEAAHN O=S(=O)(c1cccs1)N1CCC2(CC1)NCCN=C2NCc1ccccc1F ZINC000065074775 569169155 /nfs/dbraw/zinc/16/91/55/569169155.db2.gz DOGLLFKTBSUQEJ-UHFFFAOYSA-N 0 3 422.551 2.202 50 0 biogenic HEAAHN CC(C)CN1CCN([C@H]2CCOC3(CCN(C(=O)C4CCOCC4)CC3)C2)CC1 ZINC000581820109 569320891 /nfs/dbraw/zinc/32/08/91/569320891.db2.gz RHJPSXJPWOOAFJ-NRFANRHFSA-N 0 3 407.599 2.227 50 0 HEAAHN O=C(c1cccnc1)N1CCC2(CC1)C[C@@H](N1CCN(c3ccccn3)CC1)CCO2 ZINC000581819851 569320998 /nfs/dbraw/zinc/32/09/98/569320998.db2.gz PAJWXPWFQLNHGP-NRFANRHFSA-N 0 3 421.545 2.453 50 0 HEAAHN CCOC(=O)C1C(CN2CCC(C)CC2)=NC(=O)N[C@@H]1c1ccc2c(c1)OCO2 ZINC000054979056 569372851 /nfs/dbraw/zinc/37/28/51/569372851.db2.gz NRCBVDHSKSENFU-LJQANCHMSA-N 0 3 401.463 2.318 50 0 HEAAHN COC(=O)c1[nH]c2ccc(C)cc2c1NC(=O)CCN1CCC2(CC1)OCCO2 ZINC000002426364 569398616 /nfs/dbraw/zinc/39/86/16/569398616.db2.gz GXGHTDQGBZWXTJ-UHFFFAOYSA-N 0 3 401.463 2.430 50 0 HEAAHN CCOC(=O)C1=C(CN2CCCN(C)CC2)NC(=O)N[C@H]1c1ccccc1Cl ZINC000067287348 571064883 /nfs/dbraw/zinc/06/48/83/571064883.db2.gz UYIMEBOAOBOGHN-SFHVURJKSA-N 0 3 406.914 2.149 50 0 HEAAHN COc1ccc(-c2noc(CS(=O)(=O)C(C)C(=O)NC3CCCC3)n2)cc1OC ZINC000040106272 571166845 /nfs/dbraw/zinc/16/68/45/571166845.db2.gz HKSIXJXUIDKREX-LBPRGKRZSA-N 0 3 423.491 2.116 50 0 HEAAHN Cc1nc(C(=O)NCc2ccc(N3CCCN(C)CC3)nc2)nn1-c1ccc(F)cc1 ZINC000071808663 571301878 /nfs/dbraw/zinc/30/18/78/571301878.db2.gz QXULTHRHYKLHTQ-UHFFFAOYSA-N 0 3 423.496 2.182 50 0 HEAAHN O=C(CN1c2ccccc2C(=O)N2CCCC[C@H]2C1=O)NCCN1CCCCCC1 ZINC000039265925 571317697 /nfs/dbraw/zinc/31/76/97/571317697.db2.gz DQHTWESHWRWRRX-FQEVSTJZSA-N 0 3 412.534 2.020 50 0 HEAAHN CN1CC2(C[C@@H]1C(=O)N1CCOCC1)CCN(C(=O)Nc1ccccc1F)CC2 ZINC000581802260 1078771850 /nfs/dbraw/zinc/77/18/50/1078771850.db2.gz CPJBHUKDMLFPRP-GOSISDBHSA-N 0 3 404.486 2.003 50 0 HEAAHN CCOC(=O)[C@H]1C(=O)N=C(N2CCN(c3ccc(F)cc3)CC2)N[C@@H]1c1ccccc1 ZINC000009340430 132338750 /nfs/dbraw/zinc/33/87/50/132338750.db2.gz TXRKAMCNDJYMPL-WOJBJXKFSA-N 0 3 424.476 2.354 50 0 HEAAHN COc1ccc(N2C(=O)C[C@@H](NC3CCN(C(=O)c4cccs4)CC3)C2=O)cc1 ZINC000004738634 557589813 /nfs/dbraw/zinc/58/98/13/557589813.db2.gz YSVFEJRCUTXNEO-QGZVFWFLSA-N 0 3 413.499 2.283 50 0 HEAAHN COCCN(CC1CCN(Cc2ccccc2OC)CC1)C(=O)Cc1nonc1C ZINC000011661090 558265098 /nfs/dbraw/zinc/26/50/98/558265098.db2.gz HJYMEROTQPYDGE-UHFFFAOYSA-N 0 3 416.522 2.316 50 0 HEAAHN CCN1CCC[C@@H]1CNC(=O)CCC1CCN(C(=O)CCc2cnccn2)CC1 ZINC000011934910 558299189 /nfs/dbraw/zinc/29/91/89/558299189.db2.gz JPXPQTKRQXFCMT-HXUWFJFHSA-N 0 3 401.555 2.029 50 0 HEAAHN COc1ccc(CCN(C)[C@H]2CCCN(C(=O)Cc3nonc3C)C2)cc1OC ZINC000012302711 558372344 /nfs/dbraw/zinc/37/23/44/558372344.db2.gz OXEHDLNUYXSQKU-KRWDZBQOSA-N 0 3 402.495 2.103 50 0 HEAAHN CCOC[C@@H](O)CNCc1c(C(=O)N(C)CCc2ccccc2)nc2c(C)cccn12 ZINC000012438967 558410278 /nfs/dbraw/zinc/41/02/78/558410278.db2.gz LPDOVSJROLPFRU-FQEVSTJZSA-N 0 3 424.545 2.444 50 0 HEAAHN CN(C)Cc1ccccc1CNC(=O)c1ccc(=O)n(CCOc2ccccc2)n1 ZINC000021938478 558456156 /nfs/dbraw/zinc/45/61/56/558456156.db2.gz AXCZXUFHMPBKKD-UHFFFAOYSA-N 0 3 406.486 2.314 50 0 HEAAHN N[C@H](CC(=O)N1CCn2c(nnc2C(F)(F)F)C1)Cc1cc(F)c(F)cc1F ZINC000022011950 558457753 /nfs/dbraw/zinc/45/77/53/558457753.db2.gz MFFMDFFZMYYVKS-VIFPVBQESA-N 0 3 407.318 2.017 50 0 in-vitro HEAAHN COc1ccc([C@H](CNC[C@H](O)COc2ccc(C)cc2)N2CCOCC2)cc1 ZINC000022026897 558459084 /nfs/dbraw/zinc/45/90/84/558459084.db2.gz OXBVTFZPCZPEAI-REWPJTCUSA-N 0 3 400.519 2.406 50 0 HEAAHN C[C@H]1CCCCN1CC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000023701713 558568558 /nfs/dbraw/zinc/56/85/58/558568558.db2.gz LPOVRDVFHVAXHG-ZDUSSCGKSA-N 0 3 405.973 2.109 50 0 HEAAHN CC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)NC[C@@H](c2ccccc2)N(C)C)C1=O ZINC000014185417 558630514 /nfs/dbraw/zinc/63/05/14/558630514.db2.gz XTZDNEGISLITPW-CVDCTZTESA-N 0 3 408.502 2.263 50 0 HEAAHN COc1ccc(CN2C(=O)N(CC(C)C)C3(CCN([C@@H](C)CO)CC3)C2=O)cc1 ZINC000014540999 558659853 /nfs/dbraw/zinc/65/98/53/558659853.db2.gz VNLSZIWRBKWITJ-KRWDZBQOSA-N 0 3 403.523 2.331 50 0 HEAAHN COc1ccc(C(=O)N[C@H](C)CN2CCCCC2)cc1S(=O)(=O)N1CCCC1 ZINC000027740021 558680479 /nfs/dbraw/zinc/68/04/79/558680479.db2.gz HLGKKXONYPKAGO-MRXNPFEDSA-N 0 3 409.552 2.084 50 0 HEAAHN CN(CCc1ccccc1)C1(C(=O)N2CCC(C(N)=O)CC2)Cc2ccccc2C1 ZINC000014960499 558683816 /nfs/dbraw/zinc/68/38/16/558683816.db2.gz FEIQGLJDYPMVNP-UHFFFAOYSA-N 0 3 405.542 2.422 50 0 HEAAHN COC(=O)CCC(=O)N1CC[C@]2(C1)CCCN(Cc1cccc(OC)c1OC)C2 ZINC000014981006 558691322 /nfs/dbraw/zinc/69/13/22/558691322.db2.gz KYHPELVTPQUKHE-JOCHJYFZSA-N 0 3 404.507 2.472 50 0 HEAAHN Cc1nc(N2CCCC2)cc(N2CCN(S(=O)(=O)c3cccc(F)c3)CC2)n1 ZINC000015671268 558748597 /nfs/dbraw/zinc/74/85/97/558748597.db2.gz BTXDIELBBXKSJE-UHFFFAOYSA-N 0 3 405.499 2.035 50 0 HEAAHN Nc1nonc1C(=O)NCCNCc1ccc(OCc2ccccc2Cl)cc1 ZINC000016449874 558792166 /nfs/dbraw/zinc/79/21/66/558792166.db2.gz TXAJVSPOCBVDQI-UHFFFAOYSA-N 0 3 401.854 2.404 50 0 HEAAHN CN(C)CCN(Cc1ccc(Cl)cc1)C(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 ZINC000060319205 558834513 /nfs/dbraw/zinc/83/45/13/558834513.db2.gz PSEGEELNNWVMQY-UHFFFAOYSA-N 0 3 400.866 2.074 50 0 HEAAHN CCN(CC)CC(=O)N1CCC[C@H](CCC(=O)N2CCN(c3ccccn3)CC2)C1 ZINC000019148099 558847115 /nfs/dbraw/zinc/84/71/15/558847115.db2.gz SITJRXGMSWMIKX-HXUWFJFHSA-N 0 3 415.582 2.091 50 0 HEAAHN Cc1nnnn1[C@H](Cc1cccc(F)c1)C(=O)NCCCN1CCc2ccccc2C1 ZINC000058010587 558895141 /nfs/dbraw/zinc/89/51/41/558895141.db2.gz NKSAZTYMQSHJIV-JOCHJYFZSA-N 0 3 422.508 2.469 50 0 HEAAHN C[C@H]1CCCCN1CCNC(=O)CC1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000033254514 558918416 /nfs/dbraw/zinc/91/84/16/558918416.db2.gz GHADYKVDXMDJHJ-SFHVURJKSA-N 0 3 407.580 2.468 50 0 HEAAHN COC(=O)/C=C1/SCC(=O)N1CCCN1CCCN(Cc2ccccc2)CC1 ZINC000058438119 558927173 /nfs/dbraw/zinc/92/71/73/558927173.db2.gz AHZKKWXSIKTQGU-HMMYKYKNSA-N 0 3 403.548 2.174 50 0 HEAAHN CN1CCC(NC(=O)CN(c2ccccc2F)S(=O)(=O)c2ccccc2)CC1 ZINC000065361863 558972505 /nfs/dbraw/zinc/97/25/05/558972505.db2.gz JVRKBYNPFPMLOM-UHFFFAOYSA-N 0 3 405.495 2.231 50 0 HEAAHN COc1ccc(S(=O)(=O)NCCNc2cc(N3CCCC3)nc(C)n2)cc1C ZINC000065363316 558974319 /nfs/dbraw/zinc/97/43/19/558974319.db2.gz GZZJLSNDBSUHJG-UHFFFAOYSA-N 0 3 405.524 2.093 50 0 HEAAHN CC1CCN(CCNC(=O)Cn2cnc3onc(-c4cccc(F)c4)c3c2=O)CC1 ZINC000033069108 558983245 /nfs/dbraw/zinc/98/32/45/558983245.db2.gz FMAQFMVUXCRGIL-UHFFFAOYSA-N 0 3 413.453 2.039 50 0 HEAAHN CCNC(=O)c1cc([N-]S(=O)(=O)c2ccc(C)c(C)c2)ccc1N1CC[NH2+]CC1 ZINC000033275422 559035229 /nfs/dbraw/zinc/03/52/29/559035229.db2.gz PSVYMCQBJSXEQA-UHFFFAOYSA-N 0 3 416.547 2.264 50 0 HEAAHN Cc1nc(N2CCCC2)cc(N2CCN(C(=O)Cn3cnc4ccccc43)CC2)n1 ZINC000082230631 559042839 /nfs/dbraw/zinc/04/28/39/559042839.db2.gz UDEOJVDYGWTBRF-UHFFFAOYSA-N 0 3 405.506 2.084 50 0 HEAAHN Cc1cnc(C(=O)N2CCC3(CC2)C[C@H](N2CCN(CC(C)C)CC2)CCO3)cn1 ZINC000575317320 560855620 /nfs/dbraw/zinc/85/56/20/560855620.db2.gz ZFXJYBSPRLFNSP-HXUWFJFHSA-N 0 3 415.582 2.212 50 0 HEAAHN CCOC(=O)c1cc(C)sc1NC(=O)CN1CC[C@@H](N2CCN(C)CC2)[C@@H](C)C1 ZINC000222035924 568513698 /nfs/dbraw/zinc/51/36/98/568513698.db2.gz TYTHSCYEJUUBHO-MAUKXSAKSA-N 0 3 422.595 2.130 50 0 HEAAHN CC(C)N(CCN(C(=O)Cc1ccc2c(c1)OCO2)[C@@H]1CCS(=O)(=O)C1)C(C)C ZINC000095367784 568602246 /nfs/dbraw/zinc/60/22/46/568602246.db2.gz GLRZYDKEHLPZOP-GOSISDBHSA-N 0 3 424.563 2.092 50 0 HEAAHN O=C(Cn1c2ccccc2c2cn[nH]c(=O)c21)NCCCN1CCc2ccccc2C1 ZINC000020416324 568606090 /nfs/dbraw/zinc/60/60/90/568606090.db2.gz UIFCYZWHKRUBFQ-UHFFFAOYSA-N 0 3 415.497 2.442 50 0 HEAAHN CCN1CCN(CCNC(=O)c2ccc(C[S@](=O)c3ccccc3C)o2)CC1 ZINC000020514657 568622555 /nfs/dbraw/zinc/62/25/55/568622555.db2.gz KGMFOCBEUNCUGW-MUUNZHRXSA-N 0 3 403.548 2.263 50 0 HEAAHN Cn1cc(-n2cc(C(=O)NC[C@H]3CCCCN3Cc3ccccc3)ccc2=O)cn1 ZINC000095940420 568661762 /nfs/dbraw/zinc/66/17/62/568661762.db2.gz RHAFBDYNULGPPZ-HXUWFJFHSA-N 0 3 405.502 2.356 50 0 HEAAHN O=C(Nc1ccc(OC(F)F)c(F)c1)N1CCC(N[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000095971980 568671630 /nfs/dbraw/zinc/67/16/30/568671630.db2.gz PWYUWUSFKHKEAQ-CYBMUJFWSA-N 0 3 421.441 2.200 50 0 HEAAHN O=C(Nc1ccc(F)cc1OC(F)F)N1CCC(N[C@H]2CCS(=O)(=O)C2)CC1 ZINC000095971987 568671724 /nfs/dbraw/zinc/67/17/24/568671724.db2.gz WGWHSXKRKPTHQJ-ZDUSSCGKSA-N 0 3 421.441 2.200 50 0 HEAAHN O=S(=O)(NC1CCN([C@H]2CCC[C@@H]2O)CC1)c1cccc(Br)c1 ZINC000095972954 568671896 /nfs/dbraw/zinc/67/18/96/568671896.db2.gz XCXUIZRCIGPAOO-HOTGVXAUSA-N 0 3 403.342 2.105 50 0 HEAAHN C[C@@H](CNCCS(=O)(=O)N1CCN(c2ccccn2)CC1)Cc1ccccc1 ZINC000096013618 568685397 /nfs/dbraw/zinc/68/53/97/568685397.db2.gz PKKLOEZGSQXPHV-LJQANCHMSA-N 0 3 402.564 2.002 50 0 HEAAHN CN(C)CCNC(=O)CCc1nnc2c3cc(-c4ccc(Cl)cc4)nn3ccn12 ZINC000096322330 568730044 /nfs/dbraw/zinc/73/00/44/568730044.db2.gz XFFUUOFRSGGTFM-UHFFFAOYSA-N 0 3 411.897 2.308 50 0 HEAAHN c1ccc(CN2CCN(CCCNc3nn4nnnc4c4ccccc43)CC2)cc1 ZINC000021887425 568758595 /nfs/dbraw/zinc/75/85/95/568758595.db2.gz ATIKPBVMPMDUIR-UHFFFAOYSA-N 0 3 402.506 2.292 50 0 HEAAHN COc1ncccc1C(=O)N1CCOc2ccc(CN3CCCC[C@@H]3CO)cc2C1 ZINC000299765962 568873723 /nfs/dbraw/zinc/87/37/23/568873723.db2.gz YLYFNTCSLDSXQZ-LJQANCHMSA-N 0 3 411.502 2.472 50 0 HEAAHN O=C(NC[C@H]1CN(C2CCN(C3CCC3)CC2)C(=O)CO1)c1ccc(Cl)s1 ZINC000299776382 568874836 /nfs/dbraw/zinc/87/48/36/568874836.db2.gz AYRBKOBQRSETAI-HNNXBMFYSA-N 0 3 411.955 2.376 50 0 HEAAHN COC(=O)c1cc(S(=O)(=O)N2CCC(CN3CCc4ccccc4C3)CC2)c[nH]1 ZINC000015731738 568981713 /nfs/dbraw/zinc/98/17/13/568981713.db2.gz FEIIWVSZRVRAFI-UHFFFAOYSA-N 0 3 417.531 2.260 50 0 HEAAHN CN(C)S(=O)(=O)c1ccc(C(=O)NC2CCN(Cc3ccccc3)CC2)cc1 ZINC000006083359 568996755 /nfs/dbraw/zinc/99/67/55/568996755.db2.gz DGSJYSGVPPYDOW-UHFFFAOYSA-N 0 3 401.532 2.331 50 0 HEAAHN COc1ccc(CN2CCN(CCC(C)C)[C@H](CCO)C2)cc1Cn1cncn1 ZINC000104531519 569009070 /nfs/dbraw/zinc/00/90/70/569009070.db2.gz RACWOMFJTAVWMV-OAQYLSRUSA-N 0 3 401.555 2.250 50 0 HEAAHN COC(=O)c1cccc(OC[C@H](O)CN(C)CCc2ccc(OC)c(OC)c2)c1 ZINC000012904866 569021131 /nfs/dbraw/zinc/02/11/31/569021131.db2.gz ZADOXTBLWFXACG-GOSISDBHSA-N 0 3 403.475 2.405 50 0 HEAAHN NC(=O)C1CCN(C[C@@H](O)COc2ccc3c(c2)oc(=O)cc3-c2ccccc2)CC1 ZINC000035686228 569050484 /nfs/dbraw/zinc/05/04/84/569050484.db2.gz JJHZQWHSXGIYKA-GOSISDBHSA-N 0 3 422.481 2.397 50 0 HEAAHN COC(=O)c1cc(S(=O)(=O)NCC2CCN(Cc3ccc(C)cc3)CC2)c[nH]1 ZINC000007007004 569199891 /nfs/dbraw/zinc/19/98/91/569199891.db2.gz KLLJKMGEUIWUSL-UHFFFAOYSA-N 0 3 405.520 2.300 50 0 HEAAHN CCN1CCN(CCCNC(=O)c2cn3ccnc(-c4ccc(OC)cc4)c3n2)CC1 ZINC000065274626 569215201 /nfs/dbraw/zinc/21/52/01/569215201.db2.gz JTJHHPBAESKGTK-UHFFFAOYSA-N 0 3 422.533 2.162 50 0 HEAAHN O=C(CCn1cc(Br)ccc1=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000065518490 569233539 /nfs/dbraw/zinc/23/35/39/569233539.db2.gz NGTZEFHUPBARTQ-QGZVFWFLSA-N 0 3 404.308 2.392 50 0 HEAAHN CC(=O)N1CCN([C@@H]2CCOC3(CCN(C(=O)CCc4ccccc4)CC3)C2)CC1 ZINC000581819738 569320719 /nfs/dbraw/zinc/32/07/19/569320719.db2.gz GSNRFEKLWZGCHK-JOCHJYFZSA-N 0 3 413.562 2.324 50 0 HEAAHN CCn1ccc(C(=O)N2CCC3(CC2)C[C@@H](N2CCN(C(C)C)CC2)CCO3)n1 ZINC000581819808 569320875 /nfs/dbraw/zinc/32/08/75/569320875.db2.gz MKPOTALDJLLXHJ-IBGZPJMESA-N 0 3 403.571 2.083 50 0 HEAAHN Cn1c(CN2CCCCCC2)cc(=O)c(O)c1CN1CCN(c2ccccn2)CC1 ZINC000079464798 569431218 /nfs/dbraw/zinc/43/12/18/569431218.db2.gz AAGHMISKDABIAB-UHFFFAOYSA-N 0 3 411.550 2.184 50 0 HEAAHN CC(C)[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)NCC[N@H+](C)C1CCCCC1 ZINC000009528447 571266288 /nfs/dbraw/zinc/26/62/88/571266288.db2.gz HSIDBPYPGROYSH-KRWDZBQOSA-N 0 3 401.598 2.432 50 0 HEAAHN CC(C)[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)NCC[N@@H+](C)C1CCCCC1 ZINC000009528447 571266290 /nfs/dbraw/zinc/26/62/90/571266290.db2.gz HSIDBPYPGROYSH-KRWDZBQOSA-N 0 3 401.598 2.432 50 0 HEAAHN CCN1CCN(CCNC(=O)CC2CCN(C(=O)c3ccccc3Cl)CC2)CC1 ZINC000032974451 521681909 /nfs/dbraw/zinc/68/19/09/521681909.db2.gz GIHNVGAMUVNZFM-UHFFFAOYSA-N 0 3 420.985 2.336 50 0 HEAAHN CSCCC(=O)N1CCC(Oc2cccc(C(=O)N(C)CCN(C)C)c2)CC1 ZINC000012595493 525369202 /nfs/dbraw/zinc/36/92/02/525369202.db2.gz AMLLXHJMBSXUGV-UHFFFAOYSA-N 0 3 407.580 2.443 50 0 HEAAHN O=C(NCC1CCN(Cc2ccsc2)CC1)C(=O)Nc1ccc2c(c1)OCO2 ZINC000043940982 527610858 /nfs/dbraw/zinc/61/08/58/527610858.db2.gz IBWSRSQAJWEZCL-UHFFFAOYSA-N 0 3 401.488 2.444 50 0 HEAAHN O=C(CCCn1c(=O)[nH]c2ccccc2c1=O)NC1CCN(Cc2ccccc2)CC1 ZINC000004591423 557570323 /nfs/dbraw/zinc/57/03/23/557570323.db2.gz ILNLTZQJEFKERI-UHFFFAOYSA-N 0 3 420.513 2.251 50 0 HEAAHN CCOC(=O)N1CCC(NCc2c(C(=O)N3CCCC3)nc3sccn23)CC1 ZINC000011664279 558267831 /nfs/dbraw/zinc/26/78/31/558267831.db2.gz DTVZYSSWOQVJPG-UHFFFAOYSA-N 0 3 405.524 2.342 50 0 HEAAHN CN(CCc1ccccn1)[C@@H]1CCN(Cc2ccccc2Cn2cccn2)C[C@H]1O ZINC000011668132 558269797 /nfs/dbraw/zinc/26/97/97/558269797.db2.gz YWWSSKRPPIHWBU-DNQXCXABSA-N 0 3 405.546 2.436 50 0 HEAAHN COCCN1CCC(CN(C)C(=O)c2cn(Cc3ccccc3Cl)nn2)CC1 ZINC000011813968 558278295 /nfs/dbraw/zinc/27/82/95/558278295.db2.gz QUYKSOYIVXRZEV-UHFFFAOYSA-N 0 3 405.930 2.410 50 0 HEAAHN C[C@H](CN1CCc2nnc(CCNC(=O)c3cccnc3)n2CC1)c1ccccc1 ZINC000012281165 558365214 /nfs/dbraw/zinc/36/52/14/558365214.db2.gz VCYQNJBIOIHSAV-GOSISDBHSA-N 0 3 404.518 2.307 50 0 HEAAHN CN1CCN(C2(CNC(=O)COc3ccc4ccc(=O)oc4c3)CCCCC2)CC1 ZINC000020625034 558394638 /nfs/dbraw/zinc/39/46/38/558394638.db2.gz AQJKAESLEXQGHJ-UHFFFAOYSA-N 0 3 413.518 2.238 50 0 biogenic HEAAHN COCCN(CC1CCN(Cc2ccccc2OC)CC1)C(=O)c1ccnn1C ZINC000012471458 558422063 /nfs/dbraw/zinc/42/20/63/558422063.db2.gz YGGUNGWHOFWLNV-UHFFFAOYSA-N 0 3 400.523 2.430 50 0 HEAAHN Cn1c(=O)c2c(SCCN3CCCC3)nc(-c3cccc(F)c3)nc2n(C)c1=O ZINC000004341384 558425047 /nfs/dbraw/zinc/42/50/47/558425047.db2.gz WLRKFOLAFBLPIG-UHFFFAOYSA-N 0 3 415.494 2.021 50 0 HEAAHN CC(C)[C@H](NS(C)(=O)=O)c1nnc2n1CCN(CCCc1ccccc1)CC2 ZINC000012572821 558429721 /nfs/dbraw/zinc/42/97/21/558429721.db2.gz HCXRZJBFFWPHPL-IBGZPJMESA-N 0 3 405.568 2.015 50 0 HEAAHN COc1ccc(OC)c(NC(=O)N2CCN(c3cc(N(C)C)nc(C)n3)CC2)c1 ZINC000021795037 558449424 /nfs/dbraw/zinc/44/94/24/558449424.db2.gz ICQCNIQQBNLNDZ-UHFFFAOYSA-N 0 3 400.483 2.222 50 0 HEAAHN Cc1nc(N2CCOCC2)cc(N2CCN(C(=O)Nc3ccc(F)cc3)CC2)n1 ZINC000021795241 558449608 /nfs/dbraw/zinc/44/96/08/558449608.db2.gz VFUOZZMLXIFZHK-UHFFFAOYSA-N 0 3 400.458 2.115 50 0 HEAAHN COc1ccc(CN(C)Cc2cccs2)cc1OC[C@@H](O)CN1CCN(C)CC1 ZINC000022913782 558520532 /nfs/dbraw/zinc/52/05/32/558520532.db2.gz GBKFNHIEZUGOMQ-IBGZPJMESA-N 0 3 419.591 2.376 50 0 HEAAHN COc1ccc(OCCN(C)CCOc2ccc(S(=O)(=O)N(C)C)cc2)cc1 ZINC000025053778 558629000 /nfs/dbraw/zinc/62/90/00/558629000.db2.gz XWXDDKBFDZFTMC-UHFFFAOYSA-N 0 3 408.520 2.335 50 0 HEAAHN O=C1N[C@@H](COCc2ccccc2)C(=O)N2C[C@@H](NCc3ccc(Cl)s3)C[C@@H]12 ZINC000014530981 558655783 /nfs/dbraw/zinc/65/57/83/558655783.db2.gz ORDVMHINJAYCDI-XIRDDKMYSA-N 0 3 419.934 2.176 50 0 HEAAHN CC(C)CCN1C(=O)N(CCN(C)C)C(=O)C12CCN(Cc1ccncc1)CC2 ZINC000014748634 558669992 /nfs/dbraw/zinc/66/99/92/558669992.db2.gz KSQFUBDSCQQFOK-UHFFFAOYSA-N 0 3 401.555 2.288 50 0 HEAAHN COc1cccc([C@H](CNC(=O)Cn2c3ccccc3n(C)c2=O)N2CCCC2)c1 ZINC000027343121 558672339 /nfs/dbraw/zinc/67/23/39/558672339.db2.gz LBQGCDQNNFLVGA-NRFANRHFSA-N 0 3 408.502 2.302 50 0 HEAAHN Cc1nc2ncnn2c(C)c1CCC(=O)N[C@@H]1CCCN(CCc2ccccc2)C1 ZINC000014955705 558682439 /nfs/dbraw/zinc/68/24/39/558682439.db2.gz ALHTUPJKXZVCSH-HXUWFJFHSA-N 0 3 406.534 2.497 50 0 HEAAHN CN(C)CCN(C[C@H]1CCCN(Cc2ccccc2F)C1)C(=O)c1ccnn1C ZINC000014960815 558683864 /nfs/dbraw/zinc/68/38/64/558683864.db2.gz XDLKBFFFGCMXJB-SFHVURJKSA-N 0 3 401.530 2.475 50 0 HEAAHN COc1cccc(CNCCCc2ccccc2)c1OC[C@H](O)CN1CCOCC1 ZINC000015071458 558713240 /nfs/dbraw/zinc/71/32/40/558713240.db2.gz USEZCRVERKPEJZ-JOCHJYFZSA-N 0 3 414.546 2.490 50 0 HEAAHN Cc1cc(C)cc(C(=O)N(CCC(=O)N2CCNCC2)CCN2CCCC[C@H]2C)c1 ZINC000035422033 558791786 /nfs/dbraw/zinc/79/17/86/558791786.db2.gz IWBLPBOGBOWJBF-OAQYLSRUSA-N 0 3 414.594 2.442 50 0 HEAAHN Cc1cccc(C(=O)N(CCC(=O)N2CCNCC2)CCN2CCCC[C@H]2C)c1 ZINC000035422027 558791796 /nfs/dbraw/zinc/79/17/96/558791796.db2.gz WTYUNURDYCSXOJ-HXUWFJFHSA-N 0 3 400.567 2.134 50 0 HEAAHN O=C([C@H]1CCCN(C2CCN(S(=O)(=O)c3cccs3)CC2)C1)N1CCCC1 ZINC000071708147 558907133 /nfs/dbraw/zinc/90/71/33/558907133.db2.gz OMYGKVNYFVZNIH-INIZCTEOSA-N 0 3 411.593 2.236 50 0 HEAAHN CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)Cc1ccc(-n2cnnn2)cc1 ZINC000060167959 558941510 /nfs/dbraw/zinc/94/15/10/558941510.db2.gz HRSAGFDKRBZQOF-UHFFFAOYSA-N 0 3 400.433 2.073 50 0 HEAAHN COCC1CCN(Cc2c(C(=O)N3CCCN(C)CC3)nc3sccn23)CC1 ZINC000019608332 558946629 /nfs/dbraw/zinc/94/66/29/558946629.db2.gz BJEADPQRCQQUDV-UHFFFAOYSA-N 0 3 405.568 2.032 50 0 HEAAHN Cc1nc(N2CCCC2)cc(N2CCN(S(=O)(=O)c3ccc(F)cc3F)CC2)n1 ZINC000065363888 558974925 /nfs/dbraw/zinc/97/49/25/558974925.db2.gz QWYYFRLLCHIAPE-UHFFFAOYSA-N 0 3 423.489 2.174 50 0 HEAAHN CNC(=O)c1ccc([C@H]2CCCN2C(=O)CCc2cc3n(n2)CCCNC3)s1 ZINC000072434213 558979850 /nfs/dbraw/zinc/97/98/50/558979850.db2.gz GQOPCOAXGUBNDW-MRXNPFEDSA-N 0 3 401.536 2.094 50 0 HEAAHN CN(Cc1ccc(C(=O)NCc2cnc3ccccc3c2)c(=O)[nH]1)C1CCOCC1 ZINC000077338190 559001690 /nfs/dbraw/zinc/00/16/90/559001690.db2.gz ZVXOETMKAZXCIP-UHFFFAOYSA-N 0 3 406.486 2.464 50 0 HEAAHN Cc1cc(C)cc(CCC(=O)N2CC[C@H](N3CCN(C)CC3)[C@H](CCCO)C2)c1 ZINC000095363345 559080081 /nfs/dbraw/zinc/08/00/81/559080081.db2.gz DYJWTOJYVCGCHU-PKTZIBPZSA-N 0 3 401.595 2.473 50 0 HEAAHN COc1ccc(OC[C@H](O)CN(C)C)c(CN2CCC(c3ccncn3)CC2)c1 ZINC000095517542 559084771 /nfs/dbraw/zinc/08/47/71/559084771.db2.gz OFKNWQSAFHPAGY-LJQANCHMSA-N 0 3 400.523 2.166 50 0 HEAAHN CCN1CCN(c2ccc(NC(=O)CSc3nnnn3C(C)(C)C)cc2)CC1 ZINC000014676297 559172116 /nfs/dbraw/zinc/17/21/16/559172116.db2.gz JHKGBHVSUAVVIZ-UHFFFAOYSA-N 0 3 403.556 2.301 50 0 HEAAHN CC(=O)c1cccc(NC(=O)CSc2nc(=O)n(CCN(C)C)c3c2CCC3)c1 ZINC000004851712 559191223 /nfs/dbraw/zinc/19/12/23/559191223.db2.gz DUXNFXQGTOZHSE-UHFFFAOYSA-N 0 3 414.531 2.227 50 0 HEAAHN Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000106166919 560884988 /nfs/dbraw/zinc/88/49/88/560884988.db2.gz DIMZZKBXXKBDTL-ROUUACIJSA-N 0 3 407.518 2.411 50 0 HEAAHN Cc1cc(C)n(-c2ccnc(N3CCC(C(=O)NCCN4CCCCC4)CC3)n2)n1 ZINC000049411619 568450201 /nfs/dbraw/zinc/45/02/01/568450201.db2.gz JXKLXKCWIWLQKR-UHFFFAOYSA-N 0 3 411.554 2.098 50 0 HEAAHN CCOC(=O)c1cc(C)sc1NC(=O)CN1CC[C@H](N2CCN(C)CC2)[C@@H](C)C1 ZINC000222035987 568513714 /nfs/dbraw/zinc/51/37/14/568513714.db2.gz TYTHSCYEJUUBHO-YJBOKZPZSA-N 0 3 422.595 2.130 50 0 HEAAHN CCOC(=O)C1=C(CN2CCN([C@@H](C)CC)CC2)NC(=O)N[C@@H]1c1ccc(F)cc1 ZINC000020214260 568594732 /nfs/dbraw/zinc/59/47/32/568594732.db2.gz KNRVBYUXFRNVLV-MGPUTAFESA-N 0 3 418.513 2.413 50 0 HEAAHN CC(C)NC(=O)CN(C)C1CCN(C(=O)c2cccc(NC(=O)[C@H]3C[C@H]3C)c2)CC1 ZINC000095432323 568609329 /nfs/dbraw/zinc/60/93/29/568609329.db2.gz WAXKNGLMEBKUAP-UZLBHIALSA-N 0 3 414.550 2.342 50 0 HEAAHN CC(C)C(=O)N1CCCC[C@H]1C(=O)Nc1cccc(CCN2CCN(C)CC2)c1 ZINC000095457793 568618763 /nfs/dbraw/zinc/61/87/63/568618763.db2.gz CKCOELGJKFFRSR-NRFANRHFSA-N 0 3 400.567 2.452 50 0 HEAAHN CCN1CCN(Cc2ccc(NC(=O)c3c(C)oc4ncn(C)c(=O)c43)cc2)CC1 ZINC000020942116 568652961 /nfs/dbraw/zinc/65/29/61/568652961.db2.gz XAHQRLKEEFCXIG-UHFFFAOYSA-N 0 3 409.490 2.225 50 0 HEAAHN CN(C)CCN(Cc1ccc(F)cc1)C(=O)N[C@H]1CCCN(c2ncccn2)C1 ZINC000056884925 568820861 /nfs/dbraw/zinc/82/08/61/568820861.db2.gz ZCRWNOLIMCKBTA-IBGZPJMESA-N 0 3 400.502 2.358 50 0 HEAAHN O=C(N[C@@H]1C2CN3CC1(c1ccccc1)CN(C2)CC3)c1cnc2c(c1)CCCC2 ZINC000670438655 568884611 /nfs/dbraw/zinc/88/46/11/568884611.db2.gz AEBWUHZYPMEVHT-JKJRPBHFSA-N 0 3 402.542 2.258 50 0 HEAAHN COc1cc([C@@H]2NC(=O)N[C@@](O)(c3cccs3)C2C(=O)C(F)(F)F)ccc1O ZINC000035099407 568991748 /nfs/dbraw/zinc/99/17/48/568991748.db2.gz YVLUXFJDSHWBQV-DVOMOZLQSA-N 0 3 416.377 2.409 50 0 HEAAHN CN(C)[C@H](CNC(=O)C1CCN(S(C)(=O)=O)CC1)c1csc2ccccc21 ZINC000575620571 569038883 /nfs/dbraw/zinc/03/88/83/569038883.db2.gz LAGGHNHHSYZBPO-QGZVFWFLSA-N 0 3 409.577 2.292 50 0 HEAAHN CCO[C@@H]1C[C@@H](N[C@H](C)C(=O)N2CCN(c3ncccn3)CC2)C12CCCCC2 ZINC000225421119 569039824 /nfs/dbraw/zinc/03/98/24/569039824.db2.gz UHSAGZRJQGGJMZ-GUDVDZBRSA-N 0 3 401.555 2.231 50 0 HEAAHN CCN1CCN2c3cccc(Cl)c3CC3(C(=O)N(CC)C(=O)N(CC)C3=O)[C@H]2C1 ZINC000245327363 569056026 /nfs/dbraw/zinc/05/60/26/569056026.db2.gz ORULVQPKGJSAEF-QGZVFWFLSA-N 0 3 418.925 2.224 50 0 HEAAHN Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1CNC[C@@H](Cc1ccccc1)N(C)C ZINC000089512559 569062139 /nfs/dbraw/zinc/06/21/39/569062139.db2.gz SHMHSAIGIFTFGN-WOJBJXKFSA-N 0 3 404.580 2.122 50 0 HEAAHN O=C(CN1CC[C@H]2CCCC[C@@H]2C1)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000006580026 569066871 /nfs/dbraw/zinc/06/68/71/569066871.db2.gz YENCCWUXGFEIHT-RTBURBONSA-N 0 3 405.564 2.032 50 0 HEAAHN CCN1CCC[C@H]1CNC(=O)c1c(C)c(S(=O)(=O)N2CCC(C)CC2)c(C)n1C ZINC000064865854 569110751 /nfs/dbraw/zinc/11/07/51/569110751.db2.gz PSVVZNALDOLHHW-SFHVURJKSA-N 0 3 424.611 2.277 50 0 HEAAHN Cc1c2c(nn1-c1ccccc1)c(=O)n(CC(=O)NCCN1CCCCCC1)nc2C ZINC000006943713 569186954 /nfs/dbraw/zinc/18/69/54/569186954.db2.gz KJGIHSGHGMUQJA-UHFFFAOYSA-N 0 3 422.533 2.191 50 0 HEAAHN COc1ccccc1CNC(=O)c1cnc(N2CCN(C3CCCCC3)CC2)nc1N ZINC000065154741 569187902 /nfs/dbraw/zinc/18/79/02/569187902.db2.gz TYGKLGOPYYDRGH-UHFFFAOYSA-N 0 3 424.549 2.452 50 0 HEAAHN CCOC(=O)N1CCN(C(=O)c2cccc(N3CCN[C@H](c4ccccc4)C3)n2)CC1 ZINC000065256239 569208152 /nfs/dbraw/zinc/20/81/52/569208152.db2.gz QCKVKHSXFVJZNB-FQEVSTJZSA-N 0 3 423.517 2.147 50 0 HEAAHN C[C@@H]1CCCCN1CC(=O)N1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1 ZINC000007525142 569245800 /nfs/dbraw/zinc/24/58/00/569245800.db2.gz TUAXLNXIWYVBQZ-CQSZACIVSA-N 0 3 417.934 2.186 50 0 HEAAHN O=C(NC[C@@H](O)c1ccccc1F)[C@@H]1CCCN1C1CCN(CC(F)(F)F)CC1 ZINC000089813219 569266410 /nfs/dbraw/zinc/26/64/10/569266410.db2.gz KHDCPGCENDOWTC-ZWKOTPCHSA-N 0 3 417.447 2.466 50 0 HEAAHN CCOC(=O)[C@@H]1[C@H](N[C@@H]2CCN(C(=O)C3CCCC3)C2)CCN1C(=O)OC(C)(C)C ZINC000252506599 569291342 /nfs/dbraw/zinc/29/13/42/569291342.db2.gz WBKXAKZXEATMAC-KURKYZTESA-N 0 3 423.554 2.308 50 0 HEAAHN C[C@@H]1CN(CCCCNC(=O)Nc2cccc(Cn3cccnc3=O)c2)C[C@@H](C)O1 ZINC000079064332 569426441 /nfs/dbraw/zinc/42/64/41/569426441.db2.gz NOPHDCGSYIYBMG-QZTJIDSGSA-N 0 3 413.522 2.303 50 0 HEAAHN Cc1ccc(NC(=O)N2CCC3(C[C@H](C(=O)N4CCOCC4)N(C)C3)CC2)cc1C ZINC000581802808 1078772359 /nfs/dbraw/zinc/77/23/59/1078772359.db2.gz PEEDLCZWWPGYFK-HXUWFJFHSA-N 0 3 414.550 2.480 50 0 HEAAHN CN1CCN(CCCNC(=O)CC2=C3CCCC[C@H]3N(Cc3ccccc3)C2=O)CC1 ZINC000581793361 1078775509 /nfs/dbraw/zinc/77/55/09/1078775509.db2.gz XAUIMIOWWGOFLB-HSZRJFAPSA-N 0 3 424.589 2.412 50 0 HEAAHN CCN1CCN(c2ccc(NC(=O)CCN3C(=O)[C@@H]4CC=CC[C@H]4C3=O)cc2)CC1 ZINC000008193665 132328664 /nfs/dbraw/zinc/32/86/64/132328664.db2.gz YPRXMHOHPZQPNN-WOJBJXKFSA-N 0 3 410.518 2.108 50 0 HEAAHN NC(=O)[C@H]1CC(C(=O)NC[C@@H](c2ccccc2)N2CCCC2)=NN1c1ccccc1 ZINC000032772376 526998425 /nfs/dbraw/zinc/99/84/25/526998425.db2.gz ONLRHEJXXVVRJQ-RTWAWAEBSA-N 0 3 405.502 2.060 50 0 HEAAHN CN(C)CCn1c2cc(F)ccc2cc(CN2CCN(c3ccccn3)CC2)c1=O ZINC000012278955 535932689 /nfs/dbraw/zinc/93/26/89/535932689.db2.gz BJAJLPFZTINPHB-UHFFFAOYSA-N 0 3 409.509 2.419 50 0 HEAAHN CCn1cc(CNC2CCN(c3ccc(C(=O)N4CCC[C@H](O)C4)cc3)CC2)cn1 ZINC000011786003 536070750 /nfs/dbraw/zinc/07/07/50/536070750.db2.gz FEARHQGXYFMNNG-QFIPXVFZSA-N 0 3 411.550 2.259 50 0 HEAAHN COc1ccc(CCN(C)[C@H]2CCCN(C(=O)C3=C(C)OCCO3)C2)cc1OC ZINC000011762933 558273645 /nfs/dbraw/zinc/27/36/45/558273645.db2.gz QBMFZALGAXZALU-SFHVURJKSA-N 0 3 404.507 2.447 50 0 HEAAHN C[C@@H]1CN(C(=O)c2nc3sccn3c2CNCCc2cscn2)C[C@H](C)O1 ZINC000019795088 558284335 /nfs/dbraw/zinc/28/43/35/558284335.db2.gz VNSKTBTUGBYUHZ-BETUJISGSA-N 0 3 405.549 2.434 50 0 HEAAHN CCN(C[C@H]1CCCN(CCc2cccc(OC)c2)C1)C(=O)c1ccc(=O)n(C)n1 ZINC000011879085 558293702 /nfs/dbraw/zinc/29/37/02/558293702.db2.gz MAMZFPMAKBCNQB-IBGZPJMESA-N 0 3 412.534 2.206 50 0 HEAAHN COc1cc2cc(CNC[C@H](O)CO)c(=O)n(CC3CCCCC3)c2cc1OC ZINC000012211884 558354046 /nfs/dbraw/zinc/35/40/46/558354046.db2.gz VPPBPLHEGZNQJP-SFHVURJKSA-N 0 3 404.507 2.042 50 0 HEAAHN COc1ccccc1CCN1CCC[C@@H](CN(C)C(=O)CCc2ccc(=O)[nH]n2)C1 ZINC000012299994 558370131 /nfs/dbraw/zinc/37/01/31/558370131.db2.gz AGXBQAOKQVMAQG-SFHVURJKSA-N 0 3 412.534 2.124 50 0 HEAAHN COc1ccc(CCN(C)[C@@H]2CCCN(C(=O)Cc3nonc3C)C2)cc1OC ZINC000012302708 558372435 /nfs/dbraw/zinc/37/24/35/558372435.db2.gz OXEHDLNUYXSQKU-QGZVFWFLSA-N 0 3 402.495 2.103 50 0 HEAAHN O[C@H](COc1ccccc1CNCCOc1cccnc1)CN1CCSCC1 ZINC000012308494 558376680 /nfs/dbraw/zinc/37/66/80/558376680.db2.gz XCDNKZHUVLQHEN-IBGZPJMESA-N 0 3 403.548 2.039 50 0 HEAAHN Cc1nonc1CN(C)C(=O)c1c(=O)cc(C)n(CCN(C)C)c1CC1CCCC1 ZINC000012333384 558385678 /nfs/dbraw/zinc/38/56/78/558385678.db2.gz HQSJJAKIVGSVSU-UHFFFAOYSA-N 0 3 415.538 2.415 50 0 HEAAHN COc1cccc(OC[C@@H](O)CNCc2c(C(=O)N3CCCC3)nc3ccccn32)c1 ZINC000012430781 558405471 /nfs/dbraw/zinc/40/54/71/558405471.db2.gz GZTWBAOFTVFQOT-KRWDZBQOSA-N 0 3 424.501 2.108 50 0 HEAAHN COc1ccc(CNCc2cn(C)nc2C)cc1OC[C@H](O)CN1CCCCC1 ZINC000012453416 558416373 /nfs/dbraw/zinc/41/63/73/558416373.db2.gz HPTOHMXBMUWZRR-HXUWFJFHSA-N 0 3 402.539 2.253 50 0 HEAAHN CC(=O)c1cccc(CN2CCC(N3CCC(C(=O)N4CCOCC4)CC3)CC2)c1 ZINC000012744920 558457873 /nfs/dbraw/zinc/45/78/73/558457873.db2.gz FHCXVVYPTVQZOF-UHFFFAOYSA-N 0 3 413.562 2.424 50 0 HEAAHN O=C(CCn1c(=O)[nH]c(=O)c2ccccc21)NC[C@@H](c1cccs1)N1CCCC1 ZINC000012938166 558486952 /nfs/dbraw/zinc/48/69/52/558486952.db2.gz DOLJJAJHUNBOIQ-KRWDZBQOSA-N 0 3 412.515 2.095 50 0 HEAAHN COc1ccc(C(=O)NCC(=O)NC[C@@H](c2ccccc2)N2CCCC2)cc1OC ZINC000023740152 558572796 /nfs/dbraw/zinc/57/27/96/558572796.db2.gz WMZXQWLXGGACDT-IBGZPJMESA-N 0 3 411.502 2.387 50 0 HEAAHN COCCN1C(=O)N(CCc2ccccc2)C2(CCN([C@@H]3CCSC3)CC2)C1=O ZINC000014543313 558661082 /nfs/dbraw/zinc/66/10/82/558661082.db2.gz AFGMGOBXPNMSJZ-LJQANCHMSA-N 0 3 417.575 2.480 50 0 HEAAHN C[C@@H](CO)N1CCC2(CC1)C(=O)N(Cc1ccccn1)C(=O)N2Cc1ccccc1 ZINC000014752059 558671021 /nfs/dbraw/zinc/67/10/21/558671021.db2.gz IOZMJZLTKZCFCA-SFHVURJKSA-N 0 3 408.502 2.261 50 0 HEAAHN Cc1ccccc1CN1CCCN(C(=O)[C@@H](Cc2ccccc2)n2cnnn2)CC1 ZINC000027389967 558672853 /nfs/dbraw/zinc/67/28/53/558672853.db2.gz GTUAQWBLMZIFIK-JOCHJYFZSA-N 0 3 404.518 2.500 50 0 HEAAHN CC(=O)N1c2ccccc2C[C@H]1C(=O)NCCCN1CCN(Cc2ccccc2)CC1 ZINC000022937667 558725877 /nfs/dbraw/zinc/72/58/77/558725877.db2.gz UKNAWNLYLUONAZ-DEOSSOPVSA-N 0 3 420.557 2.288 50 0 HEAAHN CC(=O)NCc1ccc(S(=O)(=O)NC[C@H](C(C)C)N2CCC(C)CC2)s1 ZINC000030422112 558730034 /nfs/dbraw/zinc/73/00/34/558730034.db2.gz ADZITVHQFUVINT-QGZVFWFLSA-N 0 3 401.598 2.419 50 0 HEAAHN CCN1CCN(c2ncc(C(=O)NC3CCN(Cc4ccccc4)CC3)c(C)n2)CC1 ZINC000015778137 558752624 /nfs/dbraw/zinc/75/26/24/558752624.db2.gz UCLVFWWSWQNDLL-UHFFFAOYSA-N 0 3 422.577 2.321 50 0 HEAAHN CCc1ccccc1NC(=O)N1CCN(c2cc(N3CCN(C)CC3)nc(C)n2)CC1 ZINC000033318606 558782276 /nfs/dbraw/zinc/78/22/76/558782276.db2.gz GTDQXMFCYSUUOR-UHFFFAOYSA-N 0 3 423.565 2.453 50 0 HEAAHN C[C@@H]1CCCN(CCNC(=O)C(=O)Nc2cccc(S(=O)(=O)C3CCCC3)c2)C1 ZINC000057993881 558893263 /nfs/dbraw/zinc/89/32/63/558893263.db2.gz OSOLNDXXEHPFGO-MRXNPFEDSA-N 0 3 421.563 2.190 50 0 HEAAHN CC[C@H](C(=O)NC1CCN(C)CC1)N(c1ccc(OC)c(Cl)c1)S(C)(=O)=O ZINC000071754842 558909596 /nfs/dbraw/zinc/90/95/96/558909596.db2.gz YARXXBHKGLDHNY-MRXNPFEDSA-N 0 3 417.959 2.104 50 0 HEAAHN Cc1cc(=O)oc2cc(NC(=O)NCCCN3CCC[C@H]3C(=O)N(C)C)ccc12 ZINC000058394082 558924007 /nfs/dbraw/zinc/92/40/07/558924007.db2.gz OTJBENCGCFBFSF-KRWDZBQOSA-N 0 3 400.479 2.166 50 0 HEAAHN CN1CCC(NC(=O)c2ccccc2N(Cc2ccccc2)S(C)(=O)=O)CC1 ZINC000065363989 558975128 /nfs/dbraw/zinc/97/51/28/558975128.db2.gz SGPUGLQLZKPICV-UHFFFAOYSA-N 0 3 401.532 2.477 50 0 HEAAHN Cc1ccc(C)c(C(=O)N2CCN(c3cc(N4CCN(C)CC4)nc(C)n3)CC2)c1 ZINC000082230336 559042625 /nfs/dbraw/zinc/04/26/25/559042625.db2.gz GHRPXEBQKDNRCH-UHFFFAOYSA-N 0 3 408.550 2.116 50 0 HEAAHN COC[C@@]12CC[C@@H](N3CCOCC3)C[C@H]1CCN(CC(=O)Nc1ccccc1)C2 ZINC000095360078 559079893 /nfs/dbraw/zinc/07/98/93/559079893.db2.gz IWQOINXOROKDSZ-LSWJPFSZSA-N 0 3 401.551 2.465 50 0 HEAAHN CCCn1ncc(C(=O)N2CCC3(CCC(=O)N([C@H]4CCN(C)C4)C3)CC2)c1C ZINC000095509503 559083599 /nfs/dbraw/zinc/08/35/99/559083599.db2.gz KJSFWNOHTBHZNL-SFHVURJKSA-N 0 3 401.555 2.150 50 0 HEAAHN COc1ccc(Br)cc1CN1CCC(N2CCN(CCO)CC2)CC1 ZINC000095532325 559087254 /nfs/dbraw/zinc/08/72/54/559087254.db2.gz SUYABQVCTHBAHN-UHFFFAOYSA-N 0 3 412.372 2.032 50 0 HEAAHN CN(C)CCNC(=O)CCN(C[C@@H]1CCCO1)C(=O)c1cc(-c2ccccc2)on1 ZINC000096210192 559101374 /nfs/dbraw/zinc/10/13/74/559101374.db2.gz WPWJHCUUAWTNTN-SFHVURJKSA-N 0 3 414.506 2.031 50 0 HEAAHN C[C@H]1CCCN(CCCNS(=O)(=O)c2ccc3c(c2)CCN3C(=O)C2CC2)C1 ZINC000004971481 559220535 /nfs/dbraw/zinc/22/05/35/559220535.db2.gz FUGTZBGMOGUTED-INIZCTEOSA-N 0 3 405.564 2.386 50 0 HEAAHN CCOC(=O)C1CCN(c2c(=O)c(=O)c2NCCCN(C)C2CCCCC2)CC1 ZINC000101496938 560796513 /nfs/dbraw/zinc/79/65/13/560796513.db2.gz YMWPBMTWBIJAFX-UHFFFAOYSA-N 0 3 405.539 2.129 50 0 HEAAHN CCN1CCC[C@@H]1CNC(=O)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000044571889 560896886 /nfs/dbraw/zinc/89/68/86/560896886.db2.gz HKFAHVRZNWEKQO-QGZVFWFLSA-N 0 3 413.971 2.341 50 0 HEAAHN CC(C)[C@H](C(=O)Nc1ccc(NC(=O)CN2CCOCC2)cc1)N1CCCCC1 ZINC000048310432 568436708 /nfs/dbraw/zinc/43/67/08/568436708.db2.gz YJNCLHOMQXSYTK-OAQYLSRUSA-N 0 3 402.539 2.406 50 0 HEAAHN CCCN1CCN(CCCNC(=O)c2cc3c(c4ccccc4n(C)c3=O)n2C)CC1 ZINC000020286287 568597066 /nfs/dbraw/zinc/59/70/66/568597066.db2.gz CJHAIGOYALWBAG-UHFFFAOYSA-N 0 3 423.561 2.178 50 0 aggregator HEAAHN CCN1CCN(CCNC(=O)c2cnn(-c3ccc(C)cc3)c2-n2cccc2)CC1 ZINC000020933690 568652193 /nfs/dbraw/zinc/65/21/93/568652193.db2.gz PDWXEFUGNLOIMF-UHFFFAOYSA-N 0 3 406.534 2.339 50 0 HEAAHN Cc1noc2ncn(CC(=O)NCC3CCN(Cc4ccc(C)cc4)CC3)c(=O)c12 ZINC000020941840 568652840 /nfs/dbraw/zinc/65/28/40/568652840.db2.gz OKZCWTLUAZHJOO-UHFFFAOYSA-N 0 3 409.490 2.030 50 0 HEAAHN Cc1cc2n(n1)CCC(=O)N2CCCC(=O)NCCCN1CCc2ccccc2C1 ZINC000020944059 568653245 /nfs/dbraw/zinc/65/32/45/568653245.db2.gz GCPVHSMWEBLPMA-UHFFFAOYSA-N 0 3 409.534 2.273 50 0 HEAAHN O=C(Nc1ccc(OC(F)F)c(F)c1)N1CCC(N[C@H]2CCS(=O)(=O)C2)CC1 ZINC000095971981 568671816 /nfs/dbraw/zinc/67/18/16/568671816.db2.gz PWYUWUSFKHKEAQ-ZDUSSCGKSA-N 0 3 421.441 2.200 50 0 HEAAHN CCCN1CCN(CCCNC(=O)COCc2cc(-c3cccs3)on2)CC1 ZINC000021528182 568709934 /nfs/dbraw/zinc/70/99/34/568709934.db2.gz KLIOQVMJQHZAIW-UHFFFAOYSA-N 0 3 406.552 2.454 50 0 HEAAHN CCOC(=O)C1C(CNCCCC(=O)OC)=NC(=O)N[C@@H]1c1ccc(SC)cc1 ZINC000057531522 568852408 /nfs/dbraw/zinc/85/24/08/568852408.db2.gz SBYDOMVEVJSNMK-GOSISDBHSA-N 0 3 421.519 2.122 50 0 HEAAHN Cc1noc2nc(C)cc(C(=O)N[C@H]3C4CN5CC3(c3ccccc3)CN(C4)CC5)c12 ZINC000670434416 568869860 /nfs/dbraw/zinc/86/98/60/568869860.db2.gz SOGZJLBUCXRLBT-LBVATQBMSA-N 0 3 417.513 2.137 50 0 HEAAHN Cc1ncc(CN2CCC(N3C[C@H](COc4ccc(F)cc4)OCC3=O)CC2)[nH]1 ZINC000299786292 568875573 /nfs/dbraw/zinc/87/55/73/568875573.db2.gz JGEFZMLRZKOGIS-HXUWFJFHSA-N 0 3 402.470 2.128 50 0 HEAAHN COc1ccc([C@@H](CNC(=O)Cc2nn(C)c(=O)c3ccccc23)N2CCCC2)cc1 ZINC000008231446 568984164 /nfs/dbraw/zinc/98/41/64/568984164.db2.gz RUELDHFXRJYVOV-JOCHJYFZSA-N 0 3 420.513 2.438 50 0 HEAAHN COc1cc2c(cc1OC)[C@H](C(=O)NCCN(C)C)[C@@H]1c3ccccc3CCN1C2=O ZINC000006729665 569102801 /nfs/dbraw/zinc/10/28/01/569102801.db2.gz RFBAMLHQIXJZME-VXKWHMMOSA-N 0 3 423.513 2.218 50 0 HEAAHN O=C(Cn1c(=O)c2cccn2c2cccnc21)NCCCN1CCc2ccccc2C1 ZINC000006797302 569125240 /nfs/dbraw/zinc/12/52/40/569125240.db2.gz OSKWZLVHUCJYKJ-UHFFFAOYSA-N 0 3 415.497 2.214 50 0 HEAAHN CN(C)CCNC(=O)c1ccc2c(c1)C(=O)N(CCc1c[nH]c3ccccc13)C2=O ZINC000036358599 569150196 /nfs/dbraw/zinc/15/01/96/569150196.db2.gz MEXWITQJBSEOIL-UHFFFAOYSA-N 0 3 404.470 2.298 50 0 HEAAHN Cc1cc(C)c2c(n1)nc(C(=O)NCCN1CCCC1)nc2N1CCSCC1 ZINC000065232077 569201329 /nfs/dbraw/zinc/20/13/29/569201329.db2.gz PPPIPZKVYLFRKA-UHFFFAOYSA-N 0 3 400.552 2.020 50 0 HEAAHN CN(C)CCOc1ccc(NC(=O)C(=O)NCc2nc3ccccc3[nH]2)cc1Cl ZINC000170617138 569248059 /nfs/dbraw/zinc/24/80/59/569248059.db2.gz XRNOQFUIMIXMJJ-UHFFFAOYSA-N 0 3 415.881 2.412 50 0 HEAAHN O=C(CN1C[C@@H](N2CCCC2)[C@@H](O)C1)N(CCc1ccccc1)Cc1cccs1 ZINC000252666794 569319112 /nfs/dbraw/zinc/31/91/12/569319112.db2.gz CHJKWUIGTDHSGX-YADHBBJMSA-N 0 3 413.587 2.460 50 0 HEAAHN CCOC(=O)C1C(CN2CCCCCC2)=NC(=O)N[C@@H]1c1ccc2c(c1)OCO2 ZINC000054979058 569372893 /nfs/dbraw/zinc/37/28/93/569372893.db2.gz DAEUMICVFIDSQQ-LJQANCHMSA-N 0 3 401.463 2.462 50 0 HEAAHN CCN1CCC[C@@H]1CN(Cc1ccncc1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000040152874 571200581 /nfs/dbraw/zinc/20/05/81/571200581.db2.gz YADLCPGEDYBKGZ-GOSISDBHSA-N 0 3 417.535 2.247 50 0 HEAAHN Cc1ccc(S(=O)(=O)N2CCC(CCC(=O)N3CCCN(C)CC3)CC2)cc1 ZINC000581773937 1078747964 /nfs/dbraw/zinc/74/79/64/1078747964.db2.gz BOHOCUSHDQQZHU-UHFFFAOYSA-N 0 3 407.580 2.340 50 0 HEAAHN CN1CC2(C[C@@H]1C(=O)N1CCOCC1)CCN(C(=O)c1ccc3ncccc3c1)CC2 ZINC000581803150 1078779865 /nfs/dbraw/zinc/77/98/65/1078779865.db2.gz UCPSYGWOVZGGFR-OAQYLSRUSA-N 0 3 422.529 2.020 50 0 HEAAHN CN1CCc2c(sc3nc(N4CCNCC4)n(-c4cccc(Cl)c4)c(=O)c32)C1 ZINC000002425709 132254445 /nfs/dbraw/zinc/25/44/45/132254445.db2.gz PVKDTQQYRULVES-UHFFFAOYSA-N 0 3 415.950 2.498 50 0 HEAAHN COc1cc(CNCCCSc2nnnn2C)cc(Br)c1OC ZINC000004993821 557622255 /nfs/dbraw/zinc/62/22/55/557622255.db2.gz UTVYNADZRNSXBX-UHFFFAOYSA-N 0 3 402.318 2.262 50 0 HEAAHN Nc1nonc1C(=O)NCCNCc1cccc(OCc2ccccc2Cl)c1 ZINC000009194410 557827322 /nfs/dbraw/zinc/82/73/22/557827322.db2.gz ICEZFPYSLUFGBI-UHFFFAOYSA-N 0 3 401.854 2.404 50 0 HEAAHN CC(C(=O)NC[C@H]1CCCO1)S(=O)(=O)Cc1csc(Cc2ccccc2)n1 ZINC000046178639 557849165 /nfs/dbraw/zinc/84/91/65/557849165.db2.gz HZJXAAOJFYPXLJ-RHSMWYFYSA-N 0 3 408.545 2.332 50 0 HEAAHN CCOC(=O)[C@@H]1C(=O)N=C(N2CCN(Cc3ccccc3)CC2)N[C@H]1c1ccccc1 ZINC000019899527 558304820 /nfs/dbraw/zinc/30/48/20/558304820.db2.gz ZRXWWPWDHIPZAG-SFTDATJTSA-N 0 3 420.513 2.211 50 0 HEAAHN CCOC(=O)C1=C(CN2CCN(CC)CC2)NC(=O)N[C@H]1c1cc(C)ccc1C ZINC000020069295 558330576 /nfs/dbraw/zinc/33/05/76/558330576.db2.gz RDHWUXZCBWELNX-FQEVSTJZSA-N 0 3 400.523 2.112 50 0 HEAAHN O=C(Cc1cccs1)N1CC[C@@H](N2CCN(CCc3ccccc3)CC2)[C@H](O)C1 ZINC000020202646 558346023 /nfs/dbraw/zinc/34/60/23/558346023.db2.gz AKXPEKLFTMVRQG-FGZHOGPDSA-N 0 3 413.587 2.113 50 0 HEAAHN CCN(C[C@@H]1CCCN(CCc2cccc(OC)c2)C1)C(=O)CN1CCOC1=O ZINC000012298622 558368767 /nfs/dbraw/zinc/36/87/67/558368767.db2.gz DQPGSKDDXCTJGE-LJQANCHMSA-N 0 3 403.523 2.250 50 0 HEAAHN COc1ccc(C(=O)N(C)C[C@H]2COCCO2)cc1OC1CCN(C(C)C)CC1 ZINC000012303778 558373145 /nfs/dbraw/zinc/37/31/45/558373145.db2.gz UYWQVHIWVRRIMY-IBGZPJMESA-N 0 3 406.523 2.434 50 0 HEAAHN COCc1ccc(CN2CC[C@@H](N3CCN(CCc4ccccc4)CC3)[C@H](O)C2)o1 ZINC000020775270 558411683 /nfs/dbraw/zinc/41/16/83/558411683.db2.gz XKZAJSHABADSBZ-DNQXCXABSA-N 0 3 413.562 2.222 50 0 HEAAHN CC1CCN(Cc2nnnn2CCCC(=O)N(CCN(C)C)C2CCCC2)CC1 ZINC000012443839 558413073 /nfs/dbraw/zinc/41/30/73/558413073.db2.gz PUBKHCKZXPSZPY-UHFFFAOYSA-N 0 3 405.591 2.018 50 0 HEAAHN O=C(Nc1ccnn1C1CCN(Cc2cccc(OCCO)c2)CC1)[C@H]1CCOC1 ZINC000012713119 558453796 /nfs/dbraw/zinc/45/37/96/558453796.db2.gz LBNKBDGSAOGYHR-SFHVURJKSA-N 0 3 414.506 2.066 50 0 HEAAHN CC(C)N1CCN([C@@H]2CCc3c(c(C(=O)NCc4ccccc4F)nn3C)C2)CC1 ZINC000023340001 558550638 /nfs/dbraw/zinc/55/06/38/558550638.db2.gz STUDFYQKNSEBCQ-GOSISDBHSA-N 0 3 413.541 2.373 50 0 HEAAHN COc1ccc([C@H](CNC(=O)Cn2nc(-c3ccccc3)oc2=O)N2CCCC2)cc1 ZINC000014114837 558621510 /nfs/dbraw/zinc/62/15/10/558621510.db2.gz LGAMFLZELIKOLJ-FQEVSTJZSA-N 0 3 422.485 2.465 50 0 HEAAHN CCN1C(=O)N(CCCc2cccnc2)C(=O)C12CCN(Cc1cnn(C)c1C)CC2 ZINC000014538677 558659023 /nfs/dbraw/zinc/65/90/23/558659023.db2.gz HZGFMGDHKFBJAN-UHFFFAOYSA-N 0 3 424.549 2.375 50 0 HEAAHN CCCn1nc(C(=O)N2CCN(C)CC2)c2c1CC[C@H](NCc1ccccc1F)C2 ZINC000014732003 558665597 /nfs/dbraw/zinc/66/55/97/558665597.db2.gz MKRFSYQHXNAESC-SFHVURJKSA-N 0 3 413.541 2.467 50 0 HEAAHN COCCN1C(=O)N(Cc2cccnc2)C(=O)C12CCN(Cc1ccc(O)cc1)CC2 ZINC000014742655 558667609 /nfs/dbraw/zinc/66/76/09/558667609.db2.gz DNUJHCJXUOWVNM-UHFFFAOYSA-N 0 3 424.501 2.233 50 0 HEAAHN Cn1ccnc1[C@@](O)(CC(=O)NCC1(N2CCSCC2)CCCC1)C(F)(F)F ZINC000072278420 558704497 /nfs/dbraw/zinc/70/44/97/558704497.db2.gz CKJJVHOCZAXWND-KRWDZBQOSA-N 0 3 420.501 2.038 50 0 HEAAHN COc1ccccc1C(=O)N[C@@H](CCSC)C(=O)NC1CCN(C2CC2)CC1 ZINC000029090347 558709672 /nfs/dbraw/zinc/70/96/72/558709672.db2.gz LNGAQRWEMDWYPM-SFHVURJKSA-N 0 3 405.564 2.290 50 0 HEAAHN Cc1nc(N2CCCCC2)cc(N2CCN(S(=O)(=O)c3ccccc3F)CC2)n1 ZINC000015671293 558748445 /nfs/dbraw/zinc/74/84/45/558748445.db2.gz BGQRIPQMILEXCJ-UHFFFAOYSA-N 0 3 419.526 2.425 50 0 HEAAHN C[C@@H](C(=O)NC1CCN(C)CC1)N(c1cc(Cl)cc(Cl)c1)S(C)(=O)=O ZINC000065362553 558973432 /nfs/dbraw/zinc/97/34/32/558973432.db2.gz ZPMPSDCBSUESGW-NSHDSACASA-N 0 3 408.351 2.358 50 0 HEAAHN O=C(NCc1ccc2c(c1)OCO2)C(=O)NCC1CCN(Cc2cccs2)CC1 ZINC000023127523 559015862 /nfs/dbraw/zinc/01/58/62/559015862.db2.gz BYOSEGBGNHRNGS-UHFFFAOYSA-N 0 3 415.515 2.121 50 0 HEAAHN CCN1CCC(NC(=O)[C@@H](NS(=O)(=O)c2ccc(Cl)cc2)C(C)C)CC1 ZINC000011527089 559087748 /nfs/dbraw/zinc/08/77/48/559087748.db2.gz XJDQHCMEDRPQPS-KRWDZBQOSA-N 0 3 401.960 2.243 50 0 HEAAHN CCN1C(=O)N(CC(=O)N(C)CCN(C)C)C(c2ccccc2)(c2ccccc2)C1=O ZINC000095918148 559089031 /nfs/dbraw/zinc/08/90/31/559089031.db2.gz IQTHGFSNUQXJGD-UHFFFAOYSA-N 0 3 422.529 2.234 50 0 HEAAHN CCOC(=O)c1ccc(N2C(=O)C[C@H](N3CCN(C4CCCCC4)CC3)C2=O)cc1 ZINC000100150321 559130818 /nfs/dbraw/zinc/13/08/18/559130818.db2.gz GOAAUPBHWVHEHC-FQEVSTJZSA-N 0 3 413.518 2.446 50 0 HEAAHN O=C(NCc1ccccc1)C1C(=O)N(Cc2ccccc2)C(=O)[C@@H]1C1(O)CCCC1 ZINC000100710412 559259266 /nfs/dbraw/zinc/25/92/66/559259266.db2.gz AZLBELZNTLQDJJ-WOJBJXKFSA-N 0 3 406.482 2.409 50 0 HEAAHN CCOC(=O)c1cc(C(=O)OC)c(N2C(=O)CC(N(O)c3ccccc3)C2=O)s1 ZINC000101039410 560767119 /nfs/dbraw/zinc/76/71/19/560767119.db2.gz PSEBZKVKYNDCFJ-CYBMUJFWSA-N 0 3 418.427 2.239 50 0 HEAAHN COc1ccc(CNc2nn3c(nc(CN4CCC(C)CC4)cc3=O)[nH]2)cc1OC ZINC000101796705 560801764 /nfs/dbraw/zinc/80/17/64/560801764.db2.gz TVSGBQSGETXCAR-UHFFFAOYSA-N 0 3 412.494 2.279 50 0 HEAAHN COc1ccc(CNc2nn3c([n-]2)nc(C[NH+]2CCC(C)CC2)cc3=O)cc1OC ZINC000101796705 560801766 /nfs/dbraw/zinc/80/17/66/560801766.db2.gz TVSGBQSGETXCAR-UHFFFAOYSA-N 0 3 412.494 2.279 50 0 HEAAHN O=C(c1ccccc1)N1C[C@@H](CNCc2c[nH]nc2-c2cccnc2)N2CC[C@H]1C2 ZINC000108455609 568418798 /nfs/dbraw/zinc/41/87/98/568418798.db2.gz BNADJYWFYWLBMP-LEWJYISDSA-N 0 3 402.502 2.160 50 0 HEAAHN COc1cccc(NC(=O)Cn2cnc3c(c2=O)CN(Cc2ccccc2)CC3)c1 ZINC000049400702 568447711 /nfs/dbraw/zinc/44/77/11/568447711.db2.gz VVUAGORCDLLXIN-UHFFFAOYSA-N 0 3 404.470 2.449 50 0 HEAAHN CCc1ccc([C@H](CNC(=O)Cn2c3ccccc3c(=O)n(CC)c2=O)N(C)C)cc1 ZINC000022684325 568497425 /nfs/dbraw/zinc/49/74/25/568497425.db2.gz IFHGYIKAIIQNAO-NRFANRHFSA-N 0 3 422.529 2.165 50 0 HEAAHN CC[C@H](C)[C@@H](NC(=O)C1CCC(C)CC1)C(=O)NCCCN1CCN(CC)CC1 ZINC000020116236 568589406 /nfs/dbraw/zinc/58/94/06/568589406.db2.gz REERNORVGPIFBR-KWJLTHHISA-N 0 3 408.631 2.487 50 0 HEAAHN Cc1cc(=O)nc2c3ccccc3n(CC(=O)N3CCN(C4CCCCC4)CC3)n21 ZINC000020464793 568610114 /nfs/dbraw/zinc/61/01/14/568610114.db2.gz NVPZMQHWSRIIAT-UHFFFAOYSA-N 0 3 407.518 2.435 50 0 HEAAHN CCN1CCN(CCNC(=O)c2cnn(-c3cccc(F)c3)c2-n2cccc2)CC1 ZINC000020980691 568654525 /nfs/dbraw/zinc/65/45/25/568654525.db2.gz NYGKCDGJEJNGLY-UHFFFAOYSA-N 0 3 410.497 2.169 50 0 HEAAHN CN(C)[C@@H](CNC(=O)CN1CC(OC(=O)Nc2cccc(F)c2)C1)c1ccccc1 ZINC000225618028 568657609 /nfs/dbraw/zinc/65/76/09/568657609.db2.gz RLFDMXTYJQLGEW-FQEVSTJZSA-N 0 3 414.481 2.478 50 0 HEAAHN CN(C(=O)[C@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O)C1CCN(C)CC1 ZINC000003328018 568854749 /nfs/dbraw/zinc/85/47/49/568854749.db2.gz GHVFHEQECPVTGG-NRFANRHFSA-N 0 3 405.498 2.447 50 0 HEAAHN C[C@@H]1CCCCN1C(=O)C[C@]1(c2cccc(F)c2)CC(=O)N(CCN(C)C)C1=O ZINC000299769498 568874116 /nfs/dbraw/zinc/87/41/16/568874116.db2.gz RXLFVMSNABCDAN-OPAMFIHVSA-N 0 3 403.498 2.175 50 0 HEAAHN Cc1ccnn1CCN1CCC(N2C[C@H](COc3ccc(F)cc3)OCC2=O)CC1 ZINC000299791262 568875885 /nfs/dbraw/zinc/87/58/85/568875885.db2.gz CVOWSINCMNDJOW-OAQYLSRUSA-N 0 3 416.497 2.101 50 0 HEAAHN COc1ccc([C@@H](CNC(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)N(C)C)cc1 ZINC000003452187 568905925 /nfs/dbraw/zinc/90/59/25/568905925.db2.gz XKNWJTSCQXTCGD-HXUWFJFHSA-N 0 3 419.547 2.043 50 0 HEAAHN CN1CCC[C@@H]1C(=O)N1CCN(CCC(=O)Nc2cccc(Br)c2)CC1 ZINC000083877868 568922241 /nfs/dbraw/zinc/92/22/41/568922241.db2.gz OLMQEBSYORSISS-QGZVFWFLSA-N 0 3 423.355 2.016 50 0 HEAAHN COc1ccc([C@@H]2[C@H](C(=O)NCCN(C)C)c3ccccc3C(=O)N2C)cc1OC ZINC000003661111 568923557 /nfs/dbraw/zinc/92/35/57/568923557.db2.gz NYHXRKIRWTWIRQ-NHCUHLMSSA-N 0 3 411.502 2.292 50 0 HEAAHN C[C@@H](NCC(=O)N1CCN(CC(=O)N2CCCC2)CC1)c1ccc2ccccc2c1 ZINC000012750955 568940503 /nfs/dbraw/zinc/94/05/03/568940503.db2.gz QKEPQRFZCVHLOH-LJQANCHMSA-N 0 3 408.546 2.257 50 0 HEAAHN O=C(NCCN1CCCC[C@@H]1CO)C1CCN(C(=O)c2cccc(Cl)c2)CC1 ZINC000670462176 568952300 /nfs/dbraw/zinc/95/23/00/568952300.db2.gz JRLJDEGOERTLHS-LJQANCHMSA-N 0 3 407.942 2.155 50 0 HEAAHN Cc1ccc(CN2CCC(CNS(=O)(=O)c3csc(C(N)=O)c3)CC2)cc1 ZINC000015731434 568981908 /nfs/dbraw/zinc/98/19/08/568981908.db2.gz XJTWUULHJAYUPG-UHFFFAOYSA-N 0 3 407.561 2.346 50 0 HEAAHN COc1ccc(CNC(=O)[C@H]2CCCN2C2CCN(CC(F)(F)F)CC2)cn1 ZINC000089466115 569060702 /nfs/dbraw/zinc/06/07/02/569060702.db2.gz NEGIIHLNYBTZBL-MRXNPFEDSA-N 0 3 400.445 2.198 50 0 HEAAHN C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)CCn2c3ccccc3c(=O)[nH]c2=O)C1 ZINC000054224649 569061332 /nfs/dbraw/zinc/06/13/32/569061332.db2.gz MRCZQNGIAVWYJZ-WMZOPIPTSA-N 0 3 406.486 2.032 50 0 HEAAHN Cn1ncc2c3ccccc3n(CC(=O)N3CCN(C4CCCCC4)CC3)c2c1=O ZINC000064775814 569093760 /nfs/dbraw/zinc/09/37/60/569093760.db2.gz AADDPQYKRPSWSX-UHFFFAOYSA-N 0 3 407.518 2.365 50 0 HEAAHN CN(CCNC(=O)c1cc(=O)nc2sc(N3CCCCC3)nn21)C1CCCCC1 ZINC000064836281 569104710 /nfs/dbraw/zinc/10/47/10/569104710.db2.gz RCEILCDCDLZPBL-UHFFFAOYSA-N 0 3 418.567 2.136 50 0 HEAAHN Cc1noc2nc(CCC(=O)NCCN3CCCC3)nc(N3CCCCCC3)c12 ZINC000065056606 569162831 /nfs/dbraw/zinc/16/28/31/569162831.db2.gz VFAXKUPDALCXIF-UHFFFAOYSA-N 0 3 400.527 2.451 50 0 HEAAHN CCOC(=O)N1CCN(C(=O)c2ccnc(N3CCN[C@H](c4ccccc4)C3)c2)CC1 ZINC000065255905 569208041 /nfs/dbraw/zinc/20/80/41/569208041.db2.gz CTMBTTMFXMOMSI-FQEVSTJZSA-N 0 3 423.517 2.147 50 0 HEAAHN COCCCN(C[C@@H]1CCCN2CCCC[C@H]12)C(=O)COc1cn(C)c(C)cc1=O ZINC000524731705 569212479 /nfs/dbraw/zinc/21/24/79/569212479.db2.gz HXAMDTKNKZELQD-VQTJNVASSA-N 0 3 419.566 2.202 50 0 HEAAHN CN(C)CCNC(=O)c1ccc2c(c1)n(Cc1ccc(F)cc1)c(=O)c1ccnn12 ZINC000065270964 569213540 /nfs/dbraw/zinc/21/35/40/569213540.db2.gz JJICDRWTIYMIMA-UHFFFAOYSA-N 0 3 407.449 2.128 50 0 HEAAHN O=C(CCn1cc(Br)ccc1=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000065518486 569233489 /nfs/dbraw/zinc/23/34/89/569233489.db2.gz NGTZEFHUPBARTQ-KRWDZBQOSA-N 0 3 404.308 2.392 50 0 HEAAHN CN(C)S(=O)(=O)c1ccc(NC(=O)CCN(C)CCOc2ccccc2F)cc1 ZINC000014079377 569258486 /nfs/dbraw/zinc/25/84/86/569258486.db2.gz OUWLQDAYNDSRPY-UHFFFAOYSA-N 0 3 423.510 2.415 50 0 HEAAHN CC(C)CN1CCN([C@@H]2CCOC3(CCN(C(=O)Cc4cccnc4)CC3)C2)CC1 ZINC000581820113 569320946 /nfs/dbraw/zinc/32/09/46/569320946.db2.gz RNOWYRPDHCBDGD-JOCHJYFZSA-N 0 3 414.594 2.438 50 0 HEAAHN Nc1nc(N2CCC(N3CCCCC3)CC2)ncc1S(=O)(=O)c1ccccc1 ZINC000067336199 571080104 /nfs/dbraw/zinc/08/01/04/571080104.db2.gz BBMQOLOLULJHIY-UHFFFAOYSA-N 0 3 401.536 2.346 50 0 HEAAHN CCN(CC)[C@H](CNC(=O)N1CCN(c2ncccn2)CC1)c1cccc(OC)c1 ZINC000040071233 571151973 /nfs/dbraw/zinc/15/19/73/571151973.db2.gz ICJVJTRXSQSZMO-HXUWFJFHSA-N 0 3 412.538 2.400 50 0 HEAAHN CCN1CCN(CCNC(=O)CC2=C3CCCC[C@@H]3N(Cc3ccccc3)C2=O)CC1 ZINC000581792373 1078775063 /nfs/dbraw/zinc/77/50/63/1078775063.db2.gz FKQVDDULUUKEIQ-QHCPKHFHSA-N 0 3 424.589 2.412 50 0 HEAAHN NS(=O)(=O)c1ccc(N2CCN(CC[C@@H]3OCCc4ccccc43)CC2)cc1 ZINC000003812548 132268879 /nfs/dbraw/zinc/26/88/79/132268879.db2.gz WNUQCGWXPNGORO-NRFANRHFSA-N 0 3 401.532 2.160 50 0 in-man HEAAHN Cc1c(CN2CCC[C@H](CCC(=O)N3CCN(c4ccccn4)CC3)C2)cnn1C ZINC000011763858 132350333 /nfs/dbraw/zinc/35/03/33/132350333.db2.gz HKNBIWNZJXPZCS-HXUWFJFHSA-N 0 3 410.566 2.465 50 0 HEAAHN COc1cc(OC)cc(C(=O)Nc2nc(C(=O)NCCN3CCCC3)cs2)c1 ZINC000040356074 522859988 /nfs/dbraw/zinc/85/99/88/522859988.db2.gz NNPGFYFVBIMMRF-UHFFFAOYSA-N 0 3 404.492 2.238 50 0 HEAAHN CCc1ccc([C@@H](CNC(=O)c2cnc3c(c2)c(=O)[nH]c(=O)n3C2CC2)N(C)C)cc1 ZINC000032734776 524029690 /nfs/dbraw/zinc/02/96/90/524029690.db2.gz UZPRZPDRFUWRTP-LJQANCHMSA-N 0 3 421.501 2.015 50 0 HEAAHN O=C(NCCN1CCCC1)c1cc2n(n1)CCN(Cc1ccccc1Cl)C2=O ZINC000034811451 557464209 /nfs/dbraw/zinc/46/42/09/557464209.db2.gz CHPMGGVJGMSEKC-UHFFFAOYSA-N 0 3 401.898 2.018 50 0 HEAAHN O=C(c1cccs1)N1CCC(N[C@H]2CC(=O)N(c3ccc(F)cc3)C2=O)CC1 ZINC000004727880 557587703 /nfs/dbraw/zinc/58/77/03/557587703.db2.gz PKDPXURIJYJLDS-INIZCTEOSA-N 0 3 401.463 2.414 50 0 HEAAHN COc1ccc(CCN[C@@H]2CC(=O)N(c3ccc(NC(C)=O)cc3)C2=O)cc1OC ZINC000004891005 557610460 /nfs/dbraw/zinc/61/04/60/557610460.db2.gz YIDPUHCIBUVUHX-GOSISDBHSA-N 0 3 411.458 2.126 50 0 HEAAHN CC(C)(C)c1ccc(C(=O)NCC(=O)N2CCC3(CC2)NCCc2nc[nH]c23)cc1 ZINC000008739544 557803439 /nfs/dbraw/zinc/80/34/39/557803439.db2.gz SCILONSZOSKULH-UHFFFAOYSA-N 0 3 409.534 2.101 50 0 HEAAHN COc1cc(CNCCNC(=O)c2nonc2N)ccc1OCc1ccccc1C ZINC000009194467 557827335 /nfs/dbraw/zinc/82/73/35/557827335.db2.gz ACHSKKYVUZAGBK-UHFFFAOYSA-N 0 3 411.462 2.067 50 0 HEAAHN CCN1CCN(C[C@H](O)COc2cccc(CNCc3csc(C)n3)c2)CC1 ZINC000019791439 558282844 /nfs/dbraw/zinc/28/28/44/558282844.db2.gz IOMVEAWMHWXQQZ-FQEVSTJZSA-N 0 3 404.580 2.119 50 0 HEAAHN O=C(CC1C(=O)N(CCN2CCOCC2)c2nc3ccccc3n21)Nc1ccccc1 ZINC000019817447 558287865 /nfs/dbraw/zinc/28/78/65/558287865.db2.gz SHBRWXOKMRLBAS-HXUWFJFHSA-N 0 3 419.485 2.285 50 0 HEAAHN CN(CCN1CCCCC1)C(=O)c1cc(COc2ccc(-n3cncn3)cc2)on1 ZINC000012058259 558316881 /nfs/dbraw/zinc/31/68/81/558316881.db2.gz WPLKNHVRGZDXFB-UHFFFAOYSA-N 0 3 410.478 2.392 50 0 HEAAHN C/C(=C\c1ccccc1)CN1CCc2nnc(CCNC(=O)[C@H]3CCCO3)n2CC1 ZINC000012150372 558338913 /nfs/dbraw/zinc/33/89/13/558338913.db2.gz DQQHDMPPLCVEFF-BONDDZEJSA-N 0 3 409.534 2.077 50 0 HEAAHN COCCN(CC1CCN(Cc2ccccc2OC)CC1)C(=O)CCC(=O)OC ZINC000012466961 558420723 /nfs/dbraw/zinc/42/07/23/558420723.db2.gz KTYGCFFLCZQNTK-UHFFFAOYSA-N 0 3 406.523 2.335 50 0 HEAAHN C[C@H](CO)N1CCC2(CC1)C(=O)N(Cc1ccccn1)C(=O)N2Cc1ccccc1 ZINC000014752060 558671092 /nfs/dbraw/zinc/67/10/92/558671092.db2.gz IOZMJZLTKZCFCA-GOSISDBHSA-N 0 3 408.502 2.261 50 0 HEAAHN CN(C)CCN1C(=O)C[C@](CC(=O)N(C)Cc2ccco2)(c2cccc(F)c2)C1=O ZINC000014882564 558676657 /nfs/dbraw/zinc/67/66/57/558676657.db2.gz PEHMWXXRZIIXQO-JOCHJYFZSA-N 0 3 415.465 2.026 50 0 HEAAHN COC(=O)c1ccc(CN2CC[C@H]3[C@H](CCCN3C(=O)c3csnn3)C2)cc1 ZINC000014994773 558695715 /nfs/dbraw/zinc/69/57/15/558695715.db2.gz UNAPQFJJJAIOOQ-AEFFLSMTSA-N 0 3 400.504 2.451 50 0 HEAAHN CN(C)Cc1cc(-c2ccccc2)ccc1OCC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000015008213 558699239 /nfs/dbraw/zinc/69/92/39/558699239.db2.gz FZANXIAWAWYXDR-LJQANCHMSA-N 0 3 402.516 2.097 50 0 HEAAHN COc1cc(CNCc2ccccc2C)ccc1OC[C@H](O)CN1CCOCC1 ZINC000015070156 558712389 /nfs/dbraw/zinc/71/23/89/558712389.db2.gz WRFCCCNVMCRBJP-OAQYLSRUSA-N 0 3 400.519 2.365 50 0 HEAAHN Cc1c(CN2CCN(Cc3ccccc3CO)CC2)c2ccccc2n1CC(N)=O ZINC000055358488 558879969 /nfs/dbraw/zinc/87/99/69/558879969.db2.gz USWCMTDRKPIYPJ-UHFFFAOYSA-N 0 3 406.530 2.245 50 0 HEAAHN CCCN1CCN(c2ncnc3sc(C(=O)N4CCN(CC)CC4)c(C)c32)CC1 ZINC000033048391 558885810 /nfs/dbraw/zinc/88/58/10/558885810.db2.gz LSOYVDNKVNCPLM-UHFFFAOYSA-N 0 3 416.595 2.309 50 0 HEAAHN COc1ccc(C[C@@H](NC[C@@H](O)CN2CCOCC2)c2ccc(OC)cc2)cc1 ZINC000057993535 558893288 /nfs/dbraw/zinc/89/32/88/558893288.db2.gz YNISYUGGABUNQW-NFBKMPQASA-N 0 3 400.519 2.270 50 0 HEAAHN CCN1CCC[C@H]1CN(CC(=O)N(C)C)C(=O)CCc1ccc(OC)c(OC)c1 ZINC000058196284 558910865 /nfs/dbraw/zinc/91/08/65/558910865.db2.gz WITSVCRLZOEQLY-SFHVURJKSA-N 0 3 405.539 2.038 50 0 HEAAHN CCCN(CCC)CC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 ZINC000058337612 558920358 /nfs/dbraw/zinc/92/03/58/558920358.db2.gz BBGZNIHDZRAAEV-UHFFFAOYSA-N 0 3 407.580 2.130 50 0 HEAAHN Cc1ccc(F)cc1S(=O)(=O)N1CCN(c2cc(N3CCCC3)nc(C)n2)CC1 ZINC000065365260 558976116 /nfs/dbraw/zinc/97/61/16/558976116.db2.gz YUHMRPYFSQAQQX-UHFFFAOYSA-N 0 3 419.526 2.344 50 0 HEAAHN Cc1nc(N(C)C)cc(N2CCN(C(=O)c3ccc(Oc4ncccn4)cc3)CC2)n1 ZINC000072437639 558980944 /nfs/dbraw/zinc/98/09/44/558980944.db2.gz OGWYKLWNJBITTI-UHFFFAOYSA-N 0 3 419.489 2.396 50 0 HEAAHN CCC[C@H](N)C(=O)N1CCc2cc(S(=O)(=O)NCc3cccs3)ccc2C1 ZINC000077407269 559004107 /nfs/dbraw/zinc/00/41/07/559004107.db2.gz PNJCPQCGBFOQKQ-SFHVURJKSA-N 0 3 407.561 2.239 50 0 HEAAHN COc1cc(C)ccc1OCCN1CC[C@@]2(O)CCN(C(=O)C3CCC3)C[C@H]2C1 ZINC000095382288 559080516 /nfs/dbraw/zinc/08/05/16/559080516.db2.gz KBKLNLHVPCYKOL-AUSIDOKSSA-N 0 3 402.535 2.468 50 0 HEAAHN CC1=NN(c2ccc(C)cc2)C(=O)[C@@]12Cc1ccccc1N1CCN(CCO)C[C@@H]12 ZINC000033428959 559190799 /nfs/dbraw/zinc/19/07/99/559190799.db2.gz BKTKCSYTIZBPQN-VWNXMTODSA-N 0 3 404.514 2.443 50 0 HEAAHN O=C(Nc1cccc(F)c1)C1CC(=O)Nc2c1c(=O)[nH]c(=O)n2Cc1ccccc1 ZINC000061720409 560536562 /nfs/dbraw/zinc/53/65/62/560536562.db2.gz PTOFUNANBMCXAV-OAHLLOKOSA-N 0 3 408.389 2.438 50 0 HEAAHN COC(=O)C1C(CN2CCN(CC(C)C)CC2)=NC(=O)N[C@H]1c1ccc(C)cc1 ZINC000051318436 560858509 /nfs/dbraw/zinc/85/85/09/560858509.db2.gz GLWPOJMGPRCYEJ-FQEVSTJZSA-N 0 3 400.523 2.050 50 0 HEAAHN CCOC(=O)C1C(CN2CCN(C(C)C)CC2)=NC(=O)N[C@H]1c1ccc(C)cc1 ZINC000051318484 560858700 /nfs/dbraw/zinc/85/87/00/560858700.db2.gz RBSSRPYEKXRBBY-FQEVSTJZSA-N 0 3 400.523 2.192 50 0 HEAAHN CCOC(=O)C1=C(CN2CCN(C(C)C)CC2)NC(=O)N[C@H]1c1ccc(C)cc1 ZINC000051318484 560858701 /nfs/dbraw/zinc/85/87/01/560858701.db2.gz RBSSRPYEKXRBBY-FQEVSTJZSA-N 0 3 400.523 2.192 50 0 HEAAHN NC(=O)[C@H]1CCCN(Cc2ccccc2NC(=O)[C@H]2CC(=O)N(C3CCCC3)C2)C1 ZINC000106866540 560893893 /nfs/dbraw/zinc/89/38/93/560893893.db2.gz SRIQUYHEPJEBJS-ROUUACIJSA-N 0 3 412.534 2.114 50 0 HEAAHN CCN1CCN(CCCNC(=O)c2cccc(C)c2I)CC1 ZINC000048217853 568432474 /nfs/dbraw/zinc/43/24/74/568432474.db2.gz YKTYZCZOHYMVMG-UHFFFAOYSA-N 0 3 415.319 2.357 50 0 HEAAHN CC(C)[C@@H](C(=O)Nc1ccc(NC(=O)CN2CCOCC2)cc1)N1CCCCC1 ZINC000048310431 568436618 /nfs/dbraw/zinc/43/66/18/568436618.db2.gz YJNCLHOMQXSYTK-NRFANRHFSA-N 0 3 402.539 2.406 50 0 HEAAHN COC(=O)c1c(-c2ccccc2)csc1NC(=O)CNCCCN1CCOCC1 ZINC000095011309 568594070 /nfs/dbraw/zinc/59/40/70/568594070.db2.gz BRQKPRKVOQPZPO-UHFFFAOYSA-N 0 3 417.531 2.452 50 0 HEAAHN CCOC(=O)c1cc(C)sc1NC(=O)CN1CC[C@@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000095449874 568614080 /nfs/dbraw/zinc/61/40/80/568614080.db2.gz TYTHSCYEJUUBHO-CRAIPNDOSA-N 0 3 422.595 2.130 50 0 HEAAHN O=C(CCn1cccc1)NCCCN(CCN1CCOCC1)Cc1cccs1 ZINC000021016674 568657772 /nfs/dbraw/zinc/65/77/72/568657772.db2.gz SCRTUFBNLHBDKU-UHFFFAOYSA-N 0 3 404.580 2.280 50 0 HEAAHN CCN1CCC[C@@H](CNS(=O)(=O)c2ccc(CCNC(=O)C(C)(C)C)s2)C1 ZINC000095983266 568675583 /nfs/dbraw/zinc/67/55/83/568675583.db2.gz QHWXWQSNQZDZEK-HNNXBMFYSA-N 0 3 415.625 2.463 50 0 HEAAHN O=C(c1ccccc1)N1CCC[C@@H](S(=O)(=O)N2CCC(N3CCCC3)CC2)C1 ZINC000095999982 568680895 /nfs/dbraw/zinc/68/08/95/568680895.db2.gz PUUASLKNKKSILT-HXUWFJFHSA-N 0 3 405.564 2.181 50 0 HEAAHN Cn1c2cc(S(=O)(=O)NCC3CCN(Cc4ccccc4)CC3)ccc2oc1=O ZINC000096025668 568686516 /nfs/dbraw/zinc/68/65/16/568686516.db2.gz HATBAUONZVZZFM-UHFFFAOYSA-N 0 3 415.515 2.322 50 0 HEAAHN Cc1noc2nc(C)cc(C(=O)N[C@@H]3C4CN5CC3(c3ccccc3)CN(C4)CC5)c12 ZINC000670434417 568869852 /nfs/dbraw/zinc/86/98/52/568869852.db2.gz SOGZJLBUCXRLBT-SSSUMRQXSA-N 0 3 417.513 2.137 50 0 HEAAHN C[C@H]1CCCCN1C(=O)C[C@]1(c2cccc(F)c2)CC(=O)N(CCN(C)C)C1=O ZINC000299769493 568874099 /nfs/dbraw/zinc/87/40/99/568874099.db2.gz RXLFVMSNABCDAN-KSFYIVLOSA-N 0 3 403.498 2.175 50 0 HEAAHN C[C@H](NCC(=O)N1CCN(CC(=O)N2CCCC2)CC1)c1ccc2ccccc2c1 ZINC000012750961 568940617 /nfs/dbraw/zinc/94/06/17/568940617.db2.gz QKEPQRFZCVHLOH-IBGZPJMESA-N 0 3 408.546 2.257 50 0 HEAAHN COC(=O)c1cc(S(=O)(=O)N2CCC[C@@H](CN3CCc4ccccc4C3)C2)c[nH]1 ZINC000015731739 568981672 /nfs/dbraw/zinc/98/16/72/568981672.db2.gz QIMQCAQWWMDPSO-INIZCTEOSA-N 0 3 417.531 2.260 50 0 HEAAHN C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(Cl)c(C(=O)NCCN(C)C)c2)C1 ZINC000008328576 568992713 /nfs/dbraw/zinc/99/27/13/568992713.db2.gz CAFCLGSVBUUFRR-ZIAGYGMSSA-N 0 3 401.960 2.298 50 0 HEAAHN COC(=O)c1cccc(OC[C@@H](O)CN(C)CCc2ccc(OC)c(OC)c2)c1 ZINC000012904862 569021141 /nfs/dbraw/zinc/02/11/41/569021141.db2.gz ZADOXTBLWFXACG-SFHVURJKSA-N 0 3 403.475 2.405 50 0 HEAAHN C[C@H]1CN(C)CC[C@H]1NC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 ZINC000241409009 569054763 /nfs/dbraw/zinc/05/47/63/569054763.db2.gz NDUVVMIZMQMBOB-HRAATJIYSA-N 0 3 419.591 2.032 50 0 HEAAHN CS(=O)(=O)NCC1CCC(C(=O)NC2CCN(Cc3ccccc3)CC2)CC1 ZINC000036709693 569223571 /nfs/dbraw/zinc/22/35/71/569223571.db2.gz JEKSPDTUIQFQEC-UHFFFAOYSA-N 0 3 407.580 2.123 50 0 HEAAHN CCN1CCC[C@@H]1CNC(=O)C1CCC(CNS(=O)(=O)c2ccccc2)CC1 ZINC000013691746 569257270 /nfs/dbraw/zinc/25/72/70/569257270.db2.gz WDKZIRCIAYUKBA-CTWPCTMYSA-N 0 3 407.580 2.372 50 0 HEAAHN Cc1cc(N2CCN(C)CC2)nc(N2CCN(C(=O)c3ccc(Cl)cc3)CC2)n1 ZINC000017012316 569271622 /nfs/dbraw/zinc/27/16/22/569271622.db2.gz UWEWJFUHWVSPHN-UHFFFAOYSA-N 0 3 414.941 2.153 50 0 HEAAHN O=C(C[C@@H]1NC(=O)N(c2ccccc2)C1=O)NC1CCN(Cc2ccccc2)CC1 ZINC000252496902 569387671 /nfs/dbraw/zinc/38/76/71/569387671.db2.gz PULZXIRAVWIPNH-FQEVSTJZSA-N 0 3 406.486 2.487 50 0 HEAAHN CCOC(=O)c1cc(C(=O)OC)c(N2C(=O)CC(N(O)c3ccccc3)C2=O)s1 ZINC000002409201 569396499 /nfs/dbraw/zinc/39/64/99/569396499.db2.gz PSEBZKVKYNDCFJ-ZDUSSCGKSA-N 0 3 418.427 2.239 50 0 HEAAHN CCOC(=O)C1C(CN2CCCN(C)CC2)=NC(=O)N[C@H]1c1ccc(CC)cc1 ZINC000067286590 571064472 /nfs/dbraw/zinc/06/44/72/571064472.db2.gz GZEPULFLGNGOMV-FQEVSTJZSA-N 0 3 400.523 2.058 50 0 HEAAHN CCOC(=O)C1=C(CN2CCCN(C)CC2)NC(=O)N[C@H]1c1ccc(CC)cc1 ZINC000067286590 571064473 /nfs/dbraw/zinc/06/44/73/571064473.db2.gz GZEPULFLGNGOMV-FQEVSTJZSA-N 0 3 400.523 2.058 50 0 HEAAHN COc1cc(OC)cc(C(=O)N[C@H](C(=O)NCCN2CCCC[C@H]2C)C(C)C)c1 ZINC000245224802 571217521 /nfs/dbraw/zinc/21/75/21/571217521.db2.gz FEQQPXLECBVUBP-UZLBHIALSA-N 0 3 405.539 2.449 50 0 HEAAHN CC(C)[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)NCC[N@H+](C)C1CCCCC1 ZINC000009528448 571266303 /nfs/dbraw/zinc/26/63/03/571266303.db2.gz HSIDBPYPGROYSH-QGZVFWFLSA-N 0 3 401.598 2.432 50 0 HEAAHN CC(C)[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)NCC[N@@H+](C)C1CCCCC1 ZINC000009528448 571266304 /nfs/dbraw/zinc/26/63/04/571266304.db2.gz HSIDBPYPGROYSH-QGZVFWFLSA-N 0 3 401.598 2.432 50 0 HEAAHN CN(C)Cc1ccccc1CNC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000009917067 571290174 /nfs/dbraw/zinc/29/01/74/571290174.db2.gz AWUWWJVDWXCUDW-UHFFFAOYSA-N 0 3 415.559 2.465 50 0 HEAAHN CN(CCCNC(=O)c1ccc(S(=O)(=O)NC2CC2)cc1)Cc1ccccc1 ZINC000009984028 571293511 /nfs/dbraw/zinc/29/35/11/571293511.db2.gz NTRRZUXAWOCCGM-UHFFFAOYSA-N 0 3 401.532 2.379 50 0 HEAAHN Cc1ccc(C)c(N2CCn3c4c(nc32)n(C)c(=O)n(CCN2CCCCC2)c4=O)c1 ZINC000010233798 571297742 /nfs/dbraw/zinc/29/77/42/571297742.db2.gz UROKJCBUSVKHCV-UHFFFAOYSA-N 0 3 422.533 2.151 50 0 HEAAHN CS(=O)(=O)N1CCC(Cc2ccc(C(=O)NCCN3CCCCC3)cc2)CC1 ZINC000581806216 1078782023 /nfs/dbraw/zinc/78/20/23/1078782023.db2.gz WGALJALCUVZDPV-UHFFFAOYSA-N 0 3 407.580 2.116 50 0 HEAAHN COc1ccc([C@@H](CNC(=O)CN2C(=O)COc3ccccc32)N2CCCC2)cc1 ZINC000008776279 132333268 /nfs/dbraw/zinc/33/32/68/132333268.db2.gz VFJGCFVGXSYFKZ-HXUWFJFHSA-N 0 3 409.486 2.374 50 0 HEAAHN Cc1c(CN2CCC[C@@H](CCC(=O)N3CCN(c4ccccn4)CC3)C2)cnn1C ZINC000011763868 132350302 /nfs/dbraw/zinc/35/03/02/132350302.db2.gz HKNBIWNZJXPZCS-FQEVSTJZSA-N 0 3 410.566 2.465 50 0 HEAAHN CN1CCCCC[C@@H]1C(=O)NCc1cccnc1N1CCN(c2ccccn2)CC1 ZINC000012719031 132366168 /nfs/dbraw/zinc/36/61/68/132366168.db2.gz YQEACOUVNGXZHQ-HXUWFJFHSA-N 0 3 408.550 2.294 50 0 HEAAHN CS(=O)(=O)Nc1cc(C(=O)NCc2ccccc2Cl)ccc1N1CCNCC1 ZINC000033034064 132500744 /nfs/dbraw/zinc/50/07/44/132500744.db2.gz QNVOFVXIKJQKJL-UHFFFAOYSA-N 0 3 422.938 2.051 50 0 HEAAHN CCn1cc(CN2CCC[C@H](N3CCN(Cc4ccc5c(c4)OCO5)CC3)C2)cn1 ZINC000020538933 523371125 /nfs/dbraw/zinc/37/11/25/523371125.db2.gz GSQRRZWGMWPFMM-NRFANRHFSA-N 0 3 411.550 2.414 50 0 HEAAHN C[C@@H](NS(=O)(=O)c1ccc(F)cc1)C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000040160868 525576416 /nfs/dbraw/zinc/57/64/16/525576416.db2.gz IHRCOYIRCCNSOX-MRXNPFEDSA-N 0 3 419.522 2.273 50 0 HEAAHN NS(=O)(=O)c1ccc(NC(=S)NC2CCN(Cc3ccccc3)CC2)cc1 ZINC000001121987 557191589 /nfs/dbraw/zinc/19/15/89/557191589.db2.gz WCIVQQGYKYYIIF-UHFFFAOYSA-N 0 3 404.561 2.285 50 0 HEAAHN CCOC(=O)c1ccc(NC(=O)COc2ccc(CNCCO)cc2OCC)cc1 ZINC000005064950 557633426 /nfs/dbraw/zinc/63/34/26/557633426.db2.gz ZKNHTRHIDCHQRQ-UHFFFAOYSA-N 0 3 416.474 2.361 50 0 HEAAHN COc1cccc(C(=O)N2[C@H](C(=O)NCCN(C)C)COC23CCC(C)CC3)c1 ZINC000006833347 557726288 /nfs/dbraw/zinc/72/62/88/557726288.db2.gz BKWPBHOMICYFQN-UEUGHCDMSA-N 0 3 403.523 2.120 50 0 HEAAHN COc1cc(CNCCNC(=O)c2nonc2N)ccc1OCc1cccc(C)c1 ZINC000009194466 557827325 /nfs/dbraw/zinc/82/73/25/557827325.db2.gz URSYAPXKUFIEBC-UHFFFAOYSA-N 0 3 411.462 2.067 50 0 HEAAHN O[C@H](COc1ccccc1CN1CCN(CC2CC2)CC1)CN1CCSCC1 ZINC000019788492 558281979 /nfs/dbraw/zinc/28/19/79/558281979.db2.gz OMYKIIJJBRDWNZ-NRFANRHFSA-N 0 3 405.608 2.003 50 0 HEAAHN CCN1CCN(C[C@@H](O)COc2cccc(CNCc3csc(C)n3)c2)CC1 ZINC000019791438 558282864 /nfs/dbraw/zinc/28/28/64/558282864.db2.gz IOMVEAWMHWXQQZ-HXUWFJFHSA-N 0 3 404.580 2.119 50 0 HEAAHN NC(=O)C1(N2CCCCC2)CCN(Cc2nc(Cc3cccc(F)c3)no2)CC1 ZINC000011950453 558302693 /nfs/dbraw/zinc/30/26/93/558302693.db2.gz NQGGSANUHNZCLU-UHFFFAOYSA-N 0 3 401.486 2.105 50 0 HEAAHN O[C@H](COc1cccc(CNCc2ccc(F)c(F)c2)c1)CN1CCC(O)CC1 ZINC000011957607 558303887 /nfs/dbraw/zinc/30/38/87/558303887.db2.gz IYJGPIJJSKFNFF-IBGZPJMESA-N 0 3 406.473 2.451 50 0 HEAAHN Cc1nonc1CNC(=O)c1c(=O)cc(C)n(CCN(C)C)c1CCc1ccccc1 ZINC000012098476 558325258 /nfs/dbraw/zinc/32/52/58/558325258.db2.gz YMAFFOZWDXZMMX-UHFFFAOYSA-N 0 3 423.517 2.125 50 0 HEAAHN Cc1ccccc1CN1CCc2nnc(CNC(=O)CCc3cccnc3)n2CC1 ZINC000020454425 558368296 /nfs/dbraw/zinc/36/82/96/558368296.db2.gz DEZYUOBUVBEMSA-UHFFFAOYSA-N 0 3 404.518 2.289 50 0 HEAAHN Cc1nc(CNCc2ccc(OC[C@@H](O)CN3CCN(C)CC3)cc2)sc1C ZINC000020514009 558382700 /nfs/dbraw/zinc/38/27/00/558382700.db2.gz UNILEHFMLRZBTI-IBGZPJMESA-N 0 3 404.580 2.037 50 0 HEAAHN CCN(CC)CCSc1nc(-c2ccccc2C)nc2c1c(=O)n(C)c(=O)n2C ZINC000004341310 558424974 /nfs/dbraw/zinc/42/49/74/558424974.db2.gz GTCGFZIPAUELGK-UHFFFAOYSA-N 0 3 413.547 2.437 50 0 HEAAHN CCN(CC)CCSc1nc(-c2ccc(C)cc2)nc2c1c(=O)n(C)c(=O)n2C ZINC000004341328 558424991 /nfs/dbraw/zinc/42/49/91/558424991.db2.gz ATYZTRFWSYWDRW-UHFFFAOYSA-N 0 3 413.547 2.437 50 0 HEAAHN COc1ccc(CN2CCc3nnc(CCNC(=O)C4CCC4)n3CC2)c(C)c1C ZINC000020999779 558428177 /nfs/dbraw/zinc/42/81/77/558428177.db2.gz LFZYEJBVUVWNJX-UHFFFAOYSA-N 0 3 411.550 2.421 50 0 HEAAHN COc1ccc(CCN(CC2CCN(C)CC2)C(=O)C2=NN(C)C(=O)CC2)cc1 ZINC000012711267 558452409 /nfs/dbraw/zinc/45/24/09/558452409.db2.gz OSPSAEAWTWNIEK-UHFFFAOYSA-N 0 3 400.523 2.016 50 0 HEAAHN CCC[C@@H]1NC(=O)[C@H]2CN(Cc3ccc(CN4CCCCC4)s3)CCN2C1=O ZINC000014541144 558659926 /nfs/dbraw/zinc/65/99/26/558659926.db2.gz JFJKMKFPUGNXFM-RBUKOAKNSA-N 0 3 404.580 2.045 50 0 HEAAHN O=C1N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N2C[C@@H](NCc3cccc(F)c3)C[C@@H]12 ZINC000014733210 558666043 /nfs/dbraw/zinc/66/60/43/558666043.db2.gz XALVWUZHBLUYQV-YYWHXJBOSA-N 0 3 406.461 2.107 50 0 HEAAHN C[C@@H](CO)N1CCC2(CC1)C(=O)N(Cc1cccnc1)C(=O)N2CCc1ccccc1 ZINC000014740492 558666479 /nfs/dbraw/zinc/66/64/79/558666479.db2.gz AMAYSTGRUBNYFT-IBGZPJMESA-N 0 3 422.529 2.304 50 0 HEAAHN COc1ccc(C(=O)NCC(=O)NC[C@@H](c2cccs2)N2CCCC2)cc1OC ZINC000027605935 558677320 /nfs/dbraw/zinc/67/73/20/558677320.db2.gz JUZHBEXIGBINKK-INIZCTEOSA-N 0 3 417.531 2.448 50 0 HEAAHN COCc1c(C(=O)NCCN2CCCC2)cnn1-c1nccc(-c2cccs2)n1 ZINC000014994010 558695438 /nfs/dbraw/zinc/69/54/38/558695438.db2.gz CZQPCEQRVYLKQC-UHFFFAOYSA-N 0 3 412.519 2.363 50 0 HEAAHN Cn1ccnc1[C@](O)(CC(=O)NCC1(N2CCSCC2)CCCC1)C(F)(F)F ZINC000072278421 558704409 /nfs/dbraw/zinc/70/44/09/558704409.db2.gz CKJJVHOCZAXWND-QGZVFWFLSA-N 0 3 420.501 2.038 50 0 HEAAHN Cc1nccn1CCCNCc1c(C(=O)N2C[C@@H](C)O[C@@H](C)C2)nc2sccn12 ZINC000015068133 558710683 /nfs/dbraw/zinc/71/06/83/558710683.db2.gz YTKNQXWRNLWUDZ-GASCZTMLSA-N 0 3 416.551 2.330 50 0 HEAAHN Cc1cccn2c(CNCCSc3nncn3C)c(C(=O)N3CCCCC3)nc12 ZINC000015068368 558710819 /nfs/dbraw/zinc/71/08/19/558710819.db2.gz AVYDDVHBCOQFHQ-UHFFFAOYSA-N 0 3 413.551 2.279 50 0 HEAAHN Cc1nc(NCCNC(=O)c2cccc(C(F)(F)F)c2)cc(N2CCOCC2)n1 ZINC000036708061 558801195 /nfs/dbraw/zinc/80/11/95/558801195.db2.gz GABUYOTUMHBBEW-UHFFFAOYSA-N 0 3 409.412 2.482 50 0 HEAAHN COc1ccc(NC(=O)c2nnc(CCCC(=O)NCCN3CCCC3)s2)cc1 ZINC000032987815 558807797 /nfs/dbraw/zinc/80/77/97/558807797.db2.gz NNBPWBQRZWYQKB-UHFFFAOYSA-N 0 3 417.535 2.334 50 0 HEAAHN Cc1ccc(C(=O)Nc2ccc(C)n(CC(=O)NCCN3CCCCC3)c2=O)cc1 ZINC000097938383 558824845 /nfs/dbraw/zinc/82/48/45/558824845.db2.gz CLHBMWLJDAGGRY-UHFFFAOYSA-N 0 3 410.518 2.320 50 0 HEAAHN CN(Cc1ccccc1)C(=O)c1nc2ccccn2c1CNCCCN1CCOCC1 ZINC000019222708 558852155 /nfs/dbraw/zinc/85/21/55/558852155.db2.gz JIGJOOHMACDPPB-UHFFFAOYSA-N 0 3 421.545 2.418 50 0 HEAAHN O[C@@H]1CN(Cc2cccn2-c2ccccn2)CC[C@H]1N1CCN(c2ccccn2)CC1 ZINC000019301169 558866562 /nfs/dbraw/zinc/86/65/62/558866562.db2.gz WFTPXFLHKSNTPC-FGZHOGPDSA-N 0 3 418.545 2.025 50 0 HEAAHN COCCCNc1nc2nonc2nc1N1CCCN(Cc2cccs2)CC1 ZINC000055036032 558870087 /nfs/dbraw/zinc/87/00/87/558870087.db2.gz WHJDVTXGQQJZEF-UHFFFAOYSA-N 0 3 403.512 2.235 50 0 HEAAHN CCN1CCC[C@@H]1CN(CC(=O)N(C)C)C(=O)CCc1ccc(OC)c(OC)c1 ZINC000058196282 558910910 /nfs/dbraw/zinc/91/09/10/558910910.db2.gz WITSVCRLZOEQLY-GOSISDBHSA-N 0 3 405.539 2.038 50 0 HEAAHN O=C(NC[C@@H]([C@@H]1CCOC1)N1CCOCC1)Nc1cccc(CN2CCCC2)c1 ZINC000058297347 558917310 /nfs/dbraw/zinc/91/73/10/558917310.db2.gz XWUFCHHOBGXQAD-CTNGQTDRSA-N 0 3 402.539 2.141 50 0 HEAAHN CC(C)CN(CC(C)C)C(=O)c1ccc(N2CCNCC2)c(NS(C)(=O)=O)c1 ZINC000096495055 558958790 /nfs/dbraw/zinc/95/87/90/558958790.db2.gz NYNJZPCHNAAPAK-UHFFFAOYSA-N 0 3 410.584 2.222 50 0 HEAAHN COCCN(C)CCN1CC2(CCN(C(=O)c3ccc(SC)cc3)CC2)OC1=O ZINC000077375782 559002650 /nfs/dbraw/zinc/00/26/50/559002650.db2.gz PDKUWRNKZZYDQM-UHFFFAOYSA-N 0 3 421.563 2.414 50 0 HEAAHN CC(C)CC(=O)N1CCN([C@@H](C(=O)NCCN2CCCCC2)C2CCCC2)CC1 ZINC000036254998 559013062 /nfs/dbraw/zinc/01/30/62/559013062.db2.gz QAHBUPCGQWZPRQ-JOCHJYFZSA-N 0 3 406.615 2.338 50 0 HEAAHN COc1ccc(OC)c(NC(=O)C(=O)NCC2CCN(Cc3ccco3)CC2)c1 ZINC000023127461 559015886 /nfs/dbraw/zinc/01/58/86/559015886.db2.gz GCHNMIFTUUBMGW-UHFFFAOYSA-N 0 3 401.463 2.264 50 0 HEAAHN COCCN1CC[C@]2(CN(c3cccc(C(F)(F)F)n3)CCN2C)CCC1=O ZINC000091974070 559074852 /nfs/dbraw/zinc/07/48/52/559074852.db2.gz OYBQVGHPZOGJGB-SFHVURJKSA-N 0 3 400.445 2.250 50 0 HEAAHN O[C@H](CNC[C@H](O)[C@H]1CCc2cc(F)ccc2O1)[C@@H]1CCc2cc(F)ccc2O1 ZINC000001999441 559274346 /nfs/dbraw/zinc/27/43/46/559274346.db2.gz KOHIRBRYDXPAMZ-MTIDIVMFSA-N 0 3 405.441 2.364 50 0 fda HEAAHN CN(C)CCNC(=O)Cn1cnc2cc(NC(=O)c3ccc(Cl)nc3)ccc21 ZINC000061719222 559293477 /nfs/dbraw/zinc/29/34/77/559293477.db2.gz MEEOHUNNZLQEGK-UHFFFAOYSA-N 0 3 400.870 2.015 50 0 HEAAHN C[C@@H]1CN(S(=O)(=O)c2cccc(C(=O)N3CCCC[C@H]3CN(C)C)c2)C[C@@H](C)O1 ZINC000106154021 560885016 /nfs/dbraw/zinc/88/50/16/560885016.db2.gz RXDCWVDKTHFECC-LMMKCTJWSA-N 0 3 423.579 2.041 50 0 HEAAHN CCN1CCN(Cc2ccc(NC(=O)[C@@H]3CC(=O)N(CC(F)(F)F)C3)cc2)CC1 ZINC000107589945 560896855 /nfs/dbraw/zinc/89/68/55/560896855.db2.gz CLZNBGHYMTXBOZ-MRXNPFEDSA-N 0 3 412.456 2.173 50 0 HEAAHN CC(C)[C@H](N[C@H](C)C(=O)NCCc1ccc(S(N)(=O)=O)cc1)c1ccccc1 ZINC000048265262 568433881 /nfs/dbraw/zinc/43/38/81/568433881.db2.gz SFQXDKSKLLVNDO-UZLBHIALSA-N 0 3 403.548 2.368 50 0 HEAAHN COc1cccc(NC(=O)C2CC(=O)Nc3c2c(=O)[nH]c(=O)n3Cc2ccccc2)c1 ZINC000049551502 568452056 /nfs/dbraw/zinc/45/20/56/568452056.db2.gz XMTHDZJNRCIAKG-MRXNPFEDSA-N 0 3 420.425 2.308 50 0 HEAAHN Cc1nnc2ccc(C(=O)N3CCC[C@H](CN4CCN(c5ccccn5)CC4)C3)cn12 ZINC000095393612 568604393 /nfs/dbraw/zinc/60/43/93/568604393.db2.gz IFIZWSALICRMQP-LJQANCHMSA-N 0 3 419.533 2.107 50 0 HEAAHN Cc1ccccc1C(=O)N1CCN(c2nc(C[NH+]3CCC(C)CC3)cc(=O)[n-]2)CC1 ZINC000096280190 568671521 /nfs/dbraw/zinc/67/15/21/568671521.db2.gz GZPOHZZZKKMZLO-UHFFFAOYSA-N 0 3 409.534 2.273 50 0 HEAAHN O=C(Nc1ccc(OC(F)(F)F)cc1)N1CCC(N[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000095971976 568671608 /nfs/dbraw/zinc/67/16/08/568671608.db2.gz XFBPMFNMJDXQEM-CQSZACIVSA-N 0 3 421.441 2.358 50 0 HEAAHN COCCN1C(=O)C[C@@H](CNCc2cnc(C(C)(C)C)nc2)[C@@H]1c1cnn(C)c1C ZINC000241515660 568731306 /nfs/dbraw/zinc/73/13/06/568731306.db2.gz OGTXIKBLBZMOFS-FXAWDEMLSA-N 0 3 414.554 2.142 50 0 HEAAHN OCCN(C[C@@H](O)Cn1ccc2ccccc21)C[C@H](O)Cn1ccc2ccccc21 ZINC000002707530 568801953 /nfs/dbraw/zinc/80/19/53/568801953.db2.gz FWGHSGUHZNFIPN-SZPZYZBQSA-N 0 3 407.514 2.312 50 0 HEAAHN O=C(N[C@@H]1C2CN3CC1(c1ccccc1)CN(C2)CC3)c1ccc(CN2CCCC2)o1 ZINC000670445197 568910824 /nfs/dbraw/zinc/91/08/24/568910824.db2.gz PPKWORXXGQPLEY-UXVFNKRRSA-N 0 3 420.557 2.173 50 0 HEAAHN CCN1CCC(NC(=O)C2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)CC1 ZINC000012918912 569022750 /nfs/dbraw/zinc/02/27/50/569022750.db2.gz SNBWRKKWPXFCFN-UHFFFAOYSA-N 0 3 413.971 2.341 50 0 HEAAHN CC(C)[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)NCCC[NH+]1CCCCCC1 ZINC000015942431 569024218 /nfs/dbraw/zinc/02/42/18/569024218.db2.gz CTHZPDZPAJRODK-QGZVFWFLSA-N 0 3 401.598 2.433 50 0 HEAAHN C[C@@H]1CN(c2ccc(NC(=O)N3C[C@H](O)[C@@H](N4CCCC4)C3)cc2F)C[C@@H](C)O1 ZINC000229363886 569040412 /nfs/dbraw/zinc/04/04/12/569040412.db2.gz QKVXCZMZKRMMMU-IPZZXCBHSA-N 0 3 406.502 2.112 50 0 HEAAHN CCN1CCC[C@@H]1CNC(=O)c1c(C)c(S(=O)(=O)N2CCC(C)CC2)c(C)n1C ZINC000064865851 569110767 /nfs/dbraw/zinc/11/07/67/569110767.db2.gz PSVVZNALDOLHHW-GOSISDBHSA-N 0 3 424.611 2.277 50 0 HEAAHN CCCN1C(=O)COc2cc(-c3noc(C(=O)NC[C@H]4CCCN4CC)n3)ccc21 ZINC000065138024 569183714 /nfs/dbraw/zinc/18/37/14/569183714.db2.gz LIKPIGLSIFGYFQ-OAHLLOKOSA-N 0 3 413.478 2.086 50 0 HEAAHN CCN1CCN(CCNC(=O)c2csc(-c3ccc(N4CCCC4)nc3)n2)CC1 ZINC000065165326 569189543 /nfs/dbraw/zinc/18/95/43/569189543.db2.gz ZWFSHMMOTOHPTQ-UHFFFAOYSA-N 0 3 414.579 2.173 50 0 HEAAHN CN(C)CCNC(=O)c1ccc2c(c1)n(Cc1cccc(F)c1)c(=O)c1ccnn12 ZINC000065270908 569213446 /nfs/dbraw/zinc/21/34/46/569213446.db2.gz GOLIZPUIXSXKOD-UHFFFAOYSA-N 0 3 407.449 2.128 50 0 HEAAHN CCN1CCN(CCCNC(=O)c2cn3ccnc(-c4ccc(C)cc4)c3n2)CC1 ZINC000065274569 569215279 /nfs/dbraw/zinc/21/52/79/569215279.db2.gz HPTPQHLSHWTFIX-UHFFFAOYSA-N 0 3 406.534 2.462 50 0 HEAAHN O=C(Nc1cnc2c(c1)CNCC2)[C@H]1CCN(c2ccccc2Br)C1=O ZINC000170591582 569240565 /nfs/dbraw/zinc/24/05/65/569240565.db2.gz BRAHLKWWJLLQKQ-CQSZACIVSA-N 0 3 415.291 2.481 50 0 HEAAHN C[C@H]1CCCN1C(=O)CCN1CCCC[C@@H]1CNC(=O)CCNC(=O)OC(C)(C)C ZINC000170599769 569242792 /nfs/dbraw/zinc/24/27/92/569242792.db2.gz YZNYCCKMSMJLHZ-ZWKOTPCHSA-N 0 3 424.586 2.273 50 0 HEAAHN Cc1cc(C)n(CCC(=O)N2C[C@H](c3nc(C4CC4)no3)C3(C2)CCN(C)CC3)n1 ZINC000097086966 569279676 /nfs/dbraw/zinc/27/96/76/569279676.db2.gz QAYMMUQMORCESF-GOSISDBHSA-N 0 3 412.538 2.488 50 0 HEAAHN CC(C)CN1CCN([C@H]2CCOC3(CCN(C(=O)Cc4cccnc4)CC3)C2)CC1 ZINC000581820114 569320920 /nfs/dbraw/zinc/32/09/20/569320920.db2.gz RNOWYRPDHCBDGD-QFIPXVFZSA-N 0 3 414.594 2.438 50 0 HEAAHN CN(C)CCNc1nc2nnnn2c2sc3c(c21)CCN(Cc1ccccc1)C3 ZINC000002242147 569323630 /nfs/dbraw/zinc/32/36/30/569323630.db2.gz UOGGMJXOQMSYGO-UHFFFAOYSA-N 0 3 408.535 2.266 50 0 HEAAHN Cc1ccc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)Nc2ccn(CCN(C)C)n2)cc1 ZINC000078718512 569419905 /nfs/dbraw/zinc/41/99/05/569419905.db2.gz JIQIPBRQXDTMET-SFHVURJKSA-N 0 3 421.567 2.085 50 0 HEAAHN Cc1nc(NCCNS(=O)(=O)c2ccc(OC(F)(F)F)cc2)cc(N(C)C)n1 ZINC000038670701 571060003 /nfs/dbraw/zinc/06/00/03/571060003.db2.gz PMHZANMBNFFBTG-UHFFFAOYSA-N 0 3 419.429 2.140 50 0 HEAAHN CCNC(=O)N1CCOc2ccc(CCC(=O)NCCN3CCCCC3)cc2C1 ZINC000581800181 1078770626 /nfs/dbraw/zinc/77/06/26/1078770626.db2.gz QBYZFRJUDBKRQG-UHFFFAOYSA-N 0 3 402.539 2.145 50 0 HEAAHN CC(=O)N1CCC[C@@H](C(=O)NCCCCN2CCN(c3cccc(C)c3)CC2)C1 ZINC000032915297 519534664 /nfs/dbraw/zinc/53/46/64/519534664.db2.gz MCUKHTCKKNMHIS-OAQYLSRUSA-N 0 3 400.567 2.272 50 0 HEAAHN CCN1CCN(CCNC(=O)c2c(C)nn(-c3ccc(F)cc3)c2-n2cccc2)CC1 ZINC000020559407 521682993 /nfs/dbraw/zinc/68/29/93/521682993.db2.gz BIOVKDZXMQDWAV-UHFFFAOYSA-N 0 3 424.524 2.478 50 0 HEAAHN COCCNC(=O)[C@@H]1C[C@H](NCc2ccc(F)c(F)c2)CN1Cc1ccccc1 ZINC000032516129 523915094 /nfs/dbraw/zinc/91/50/94/523915094.db2.gz NYHUGBKJXMDJAB-RXVVDRJESA-N 0 3 403.473 2.460 50 0 HEAAHN Cc1ccc(C(=O)N(CCC(=O)N2CCNCC2)CCN2CCCC[C@H]2C)cc1 ZINC000045966924 526071018 /nfs/dbraw/zinc/07/10/18/526071018.db2.gz GTWIUQDSEQUWJM-HXUWFJFHSA-N 0 3 400.567 2.134 50 0 HEAAHN NC(=O)C1(N2CCCCC2)CCN(C(=O)CSc2nc3ccccc3o2)CC1 ZINC000004182718 557525868 /nfs/dbraw/zinc/52/58/68/557525868.db2.gz QHBZIVACVBGVSL-UHFFFAOYSA-N 0 3 402.520 2.252 50 0 HEAAHN NC(=O)C1(N2CCCCC2)CCN(CC(=O)Nc2ccc(Br)cc2)CC1 ZINC000004741254 557590646 /nfs/dbraw/zinc/59/06/46/557590646.db2.gz LUVSFNLUUKKNRV-UHFFFAOYSA-N 0 3 423.355 2.193 50 0 HEAAHN COc1cccc(C(=O)N2[C@@H](C(=O)NCCN(C)C)COC23CCC(C)CC3)c1 ZINC000006833348 557726256 /nfs/dbraw/zinc/72/62/56/557726256.db2.gz BKWPBHOMICYFQN-COFLGROHSA-N 0 3 403.523 2.120 50 0 HEAAHN CCc1ccc([C@@H](CNC(=O)Cn2c3ccccc3c(=O)n(CC)c2=O)N(C)C)cc1 ZINC000022684322 557766816 /nfs/dbraw/zinc/76/68/16/557766816.db2.gz IFHGYIKAIIQNAO-OAQYLSRUSA-N 0 3 422.529 2.165 50 0 HEAAHN CC(C(=O)NC[C@@H]1CCCO1)S(=O)(=O)Cc1csc(Cc2ccccc2)n1 ZINC000046178631 557849111 /nfs/dbraw/zinc/84/91/11/557849111.db2.gz HZJXAAOJFYPXLJ-PBHICJAKSA-N 0 3 408.545 2.332 50 0 HEAAHN CC(C(=O)NC[C@H]1CCCO1)S(=O)(=O)Cc1csc(Cc2ccccc2)n1 ZINC000046178635 557849137 /nfs/dbraw/zinc/84/91/37/557849137.db2.gz HZJXAAOJFYPXLJ-WMLDXEAASA-N 0 3 408.545 2.332 50 0 HEAAHN COc1ccc(OC[C@H](O)CN2CCC(O)CC2)c(CNCc2ccccc2C)c1 ZINC000011816497 558279838 /nfs/dbraw/zinc/27/98/38/558279838.db2.gz NBXGWRQTBAWRIX-JOCHJYFZSA-N 0 3 414.546 2.490 50 0 HEAAHN COc1ccc(CN2CCOCC2)cc1OC[C@@H](O)CN(C)Cc1ccccc1 ZINC000011844137 558288780 /nfs/dbraw/zinc/28/87/80/558288780.db2.gz RVUKNSGEPUNKMT-NRFANRHFSA-N 0 3 400.519 2.399 50 0 HEAAHN CCN1CCC[C@H]1CNC(=O)CCC1CCN(C(=O)CCc2cnccn2)CC1 ZINC000011934911 558299223 /nfs/dbraw/zinc/29/92/23/558299223.db2.gz JPXPQTKRQXFCMT-FQEVSTJZSA-N 0 3 401.555 2.029 50 0 HEAAHN O=C1C[C@@H](NC2CCN(c3ccc(Cl)nn3)CC2)C(=O)N1c1ccc(F)cc1 ZINC000019890257 558302957 /nfs/dbraw/zinc/30/29/57/558302957.db2.gz RCUVCDVVGNIPIR-OAHLLOKOSA-N 0 3 403.845 2.160 50 0 HEAAHN CCOC(=O)N1CCN(Cc2ccccc2OC[C@H](O)CN2CCCCC2)CC1 ZINC000012075069 558319396 /nfs/dbraw/zinc/31/93/96/558319396.db2.gz MKRPKRBDKUHBLF-HXUWFJFHSA-N 0 3 405.539 2.186 50 0 HEAAHN COc1cc(CN2CCN(C3CSCCSC3)C[C@@H]2CCO)cc(OC)c1 ZINC000020776383 558412226 /nfs/dbraw/zinc/41/22/26/558412226.db2.gz AUHLOHVEMCVZKT-KRWDZBQOSA-N 0 3 412.621 2.421 50 0 HEAAHN COc1ccc(CNCc2ccc(C)s2)c(OC[C@H](O)CN2CCN(C)CC2)c1 ZINC000020878098 558419671 /nfs/dbraw/zinc/41/96/71/558419671.db2.gz ZWHXIYDJMQBEEG-LJQANCHMSA-N 0 3 419.591 2.342 50 0 HEAAHN CN(C(=O)c1cnc2ccccn2c1=O)[C@H]1CCCN(C2Cc3ccccc3C2)C1 ZINC000012584046 558433588 /nfs/dbraw/zinc/43/35/88/558433588.db2.gz XTWWKJJTZSSCEO-IBGZPJMESA-N 0 3 402.498 2.398 50 0 HEAAHN COCCN(CC1CCN(Cc2ccccc2OC)CC1)C(=O)[C@H](C)n1cncn1 ZINC000012707480 558450557 /nfs/dbraw/zinc/45/05/57/558450557.db2.gz SSHDAMTXEMLYAW-SFHVURJKSA-N 0 3 415.538 2.235 50 0 HEAAHN CC(C)N1CCN([C@H]2CCc3c(c(C(=O)NCc4ccccc4F)nn3C)C2)CC1 ZINC000023340003 558550556 /nfs/dbraw/zinc/55/05/56/558550556.db2.gz STUDFYQKNSEBCQ-SFHVURJKSA-N 0 3 413.541 2.373 50 0 HEAAHN CCCS(=O)(=O)N1CCC[C@@H](C(=O)NCCN(Cc2ccccc2)C(C)C)C1 ZINC000004434583 558556797 /nfs/dbraw/zinc/55/67/97/558556797.db2.gz ZHLGRXDFLBUPOK-HXUWFJFHSA-N 0 3 409.596 2.465 50 0 HEAAHN CN(C)CCNC(=O)C(=O)Nc1ccccc1C(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000013688453 558570967 /nfs/dbraw/zinc/57/09/67/558570967.db2.gz KOAYCSDBWMAIMH-UHFFFAOYSA-N 0 3 412.534 2.002 50 0 HEAAHN C[C@@H](C1CC1)N(CC(=O)NCCc1ccc(S(N)(=O)=O)cc1)Cc1ccccc1 ZINC000024673392 558607231 /nfs/dbraw/zinc/60/72/31/558607231.db2.gz HLEVACHMTBNWDY-KRWDZBQOSA-N 0 3 415.559 2.293 50 0 HEAAHN C[C@H](CO)N1CCC2(CC1)C(=O)N(Cc1ccccn1)C(=O)N2CCc1ccccc1 ZINC000014732506 558666000 /nfs/dbraw/zinc/66/60/00/558666000.db2.gz CXQSCQXOSITFFV-LJQANCHMSA-N 0 3 422.529 2.304 50 0 HEAAHN O=C1N[C@@H](COCc2ccccc2)C(=O)N2C[C@@H](NCc3cccc(Cl)c3)C[C@@H]12 ZINC000014748964 558670207 /nfs/dbraw/zinc/67/02/07/558670207.db2.gz WHGSKVNZHFRTRY-UFYCRDLUSA-N 0 3 413.905 2.114 50 0 HEAAHN COc1cccc(CNCc2ccc(OC[C@@H](O)CN3CCOCC3)c(OC)c2)c1 ZINC000014971837 558687579 /nfs/dbraw/zinc/68/75/79/558687579.db2.gz ZJOPFCFXKYNOTK-FQEVSTJZSA-N 0 3 416.518 2.066 50 0 HEAAHN COc1cc(CNCc2ccc(F)cc2)ccc1OC[C@H](O)CN1CCOCC1 ZINC000015068719 558711238 /nfs/dbraw/zinc/71/12/38/558711238.db2.gz FLCAEJHSKQFNQX-HXUWFJFHSA-N 0 3 404.482 2.196 50 0 HEAAHN Cc1nn(-c2ccc(F)cc2)c(C)c1CN1CC[C@@H](N2CCC(O)CC2)[C@H](O)C1 ZINC000015078782 558717802 /nfs/dbraw/zinc/71/78/02/558717802.db2.gz CPVIJWVOWBQKSC-FGZHOGPDSA-N 0 3 402.514 2.020 50 0 HEAAHN CCOC(=O)C1C(CN2CCCC[C@H]2C)=NC(=O)N[C@@H]1c1ccc2c(c1)OCO2 ZINC000015319726 558732384 /nfs/dbraw/zinc/73/23/84/558732384.db2.gz UUAOBMKNZCBXPM-BFUOFWGJSA-N 0 3 401.463 2.461 50 0 HEAAHN CN(C)CCN(C)C(=O)C1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 ZINC000072309988 558778681 /nfs/dbraw/zinc/77/86/81/558778681.db2.gz HQWIZGVPUPXJNQ-UHFFFAOYSA-N 0 3 421.485 2.126 50 0 HEAAHN Cc1cc(C)cc(C(=O)N(CCC(=O)N2CCNCC2)CCN2CCCCC2)c1 ZINC000035422057 558791866 /nfs/dbraw/zinc/79/18/66/558791866.db2.gz HOBDHTSQEUPUFQ-UHFFFAOYSA-N 0 3 400.567 2.053 50 0 HEAAHN CCN1CCN(CCOc2ccccc2-c2nc3cc(-n4cnnn4)ccc3[nH]2)CC1 ZINC000055072880 558871533 /nfs/dbraw/zinc/87/15/33/558871533.db2.gz MRXQQLQCNGGECP-UHFFFAOYSA-N 0 3 418.505 2.222 50 0 HEAAHN O=C(CC1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)NCCN1CCCC1 ZINC000033254687 558918635 /nfs/dbraw/zinc/91/86/35/558918635.db2.gz HTCWBBJHYLNRGX-UHFFFAOYSA-N 0 3 413.971 2.343 50 0 HEAAHN Cc1ccc(N(CC(=O)NC2CCN(C)CC2)S(=O)(=O)c2ccccc2)cc1 ZINC000065363409 558974339 /nfs/dbraw/zinc/97/43/39/558974339.db2.gz XALZUYJXLQQJKA-UHFFFAOYSA-N 0 3 401.532 2.401 50 0 HEAAHN CSc1ccc(S(=O)(=O)N2CCC(C(=O)NC3CCN(C)CC3)CC2)cc1 ZINC000072436847 558980303 /nfs/dbraw/zinc/98/03/03/558980303.db2.gz DQXOUQALTHEDRG-UHFFFAOYSA-N 0 3 411.593 2.020 50 0 HEAAHN COc1ccc(-c2noc(CCN3CCCN(c4ncccn4)CC3)n2)cc1OC ZINC000072404996 558982745 /nfs/dbraw/zinc/98/27/45/558982745.db2.gz KDRHOVJOUSCIGI-UHFFFAOYSA-N 0 3 410.478 2.299 50 0 HEAAHN O=C(c1csc2nc(-c3ccccc3F)cn12)N1C[C@H](O)[C@@H](N2CCCC2)C1 ZINC000067674453 558991175 /nfs/dbraw/zinc/99/11/75/558991175.db2.gz CZNQDMAXTRDYOH-WMZOPIPTSA-N 0 3 400.479 2.483 50 0 HEAAHN O=C(C1CCCC1)N1CC[C@]2(O)CCN(Cc3cccc(OCCO)c3)C[C@@H]2C1 ZINC000095362558 559080124 /nfs/dbraw/zinc/08/01/24/559080124.db2.gz SNJNRENHFPWZAG-NFBKMPQASA-N 0 3 402.535 2.033 50 0 HEAAHN CN(C)CCN(C[C@@H]1CCCN(Cc2ccccc2F)C1)C(=O)c1nccn1C ZINC000095510058 559083656 /nfs/dbraw/zinc/08/36/56/559083656.db2.gz FKZOWITUNAZEEM-GOSISDBHSA-N 0 3 401.530 2.475 50 0 HEAAHN O=C(NCc1ccccc1)C1C(=O)N(Cc2ccccc2)C(=O)[C@H]1C1(O)CCCC1 ZINC000100710408 559259324 /nfs/dbraw/zinc/25/93/24/559259324.db2.gz AZLBELZNTLQDJJ-UXHICEINSA-N 0 3 406.482 2.409 50 0 HEAAHN CCOC(=O)C1=C(CN2CCN([C@@H](C)CC)CC2)NC(=O)N[C@H]1c1ccc(F)cc1 ZINC000020214266 568594609 /nfs/dbraw/zinc/59/46/09/568594609.db2.gz KNRVBYUXFRNVLV-YWZLYKJASA-N 0 3 418.513 2.413 50 0 HEAAHN Cc1cc2c(cc1S(=O)(=O)NCCCN(C)Cc1ccccc1)OCC(=O)N2 ZINC000020491757 568614781 /nfs/dbraw/zinc/61/47/81/568614781.db2.gz YJPVLPNGMVDGNL-UHFFFAOYSA-N 0 3 403.504 2.126 50 0 HEAAHN C[C@@H](CN(C)Cc1ccccc1)NC(=O)CNC(=O)c1ccc(Br)o1 ZINC000095463201 568621723 /nfs/dbraw/zinc/62/17/23/568621723.db2.gz YXGUQOYTOFEZDC-ZDUSSCGKSA-N 0 3 408.296 2.409 50 0 HEAAHN Cc1c(NC(=O)C(=O)Nc2ccn(CCN(C)C)n2)cccc1OCC(F)(F)F ZINC000225487982 568642305 /nfs/dbraw/zinc/64/23/05/568642305.db2.gz DPLQGXVDGADXGG-UHFFFAOYSA-N 0 3 413.400 2.271 50 0 HEAAHN C[N@H+](CCC[N-]S(=O)(=O)c1ccc(-c2ccc(=O)[nH]n2)s1)C1CCCCC1 ZINC000020984954 568655140 /nfs/dbraw/zinc/65/51/40/568655140.db2.gz ICLYOGJWZILMRF-UHFFFAOYSA-N 0 3 410.565 2.431 50 0 HEAAHN C[N@@H+](CCC[N-]S(=O)(=O)c1ccc(-c2ccc(=O)[nH]n2)s1)C1CCCCC1 ZINC000020984954 568655143 /nfs/dbraw/zinc/65/51/43/568655143.db2.gz ICLYOGJWZILMRF-UHFFFAOYSA-N 0 3 410.565 2.431 50 0 HEAAHN CN(C)CCNC(=O)CCC(=O)N1CCCn2nc(-c3cn(C)c4ccccc34)cc21 ZINC000021533117 568711636 /nfs/dbraw/zinc/71/16/36/568711636.db2.gz KWVDRPQSLFKGRS-UHFFFAOYSA-N 0 3 422.533 2.237 50 0 HEAAHN C[C@@H]1CCCCN1CCNC(=O)Cn1c2cccnc2n(-c2ccc(F)cc2)c1=O ZINC000096385825 568742143 /nfs/dbraw/zinc/74/21/43/568742143.db2.gz HCXILHICNSGJFA-MRXNPFEDSA-N 0 3 411.481 2.317 50 0 HEAAHN O=C(NCCN1CCCC1)c1csc(N2CCN(c3ccccc3F)CC2)n1 ZINC000096386414 568742866 /nfs/dbraw/zinc/74/28/66/568742866.db2.gz RSVQNQQRJWQGII-UHFFFAOYSA-N 0 3 403.527 2.434 50 0 HEAAHN CN(C)CCN(Cc1ccc(F)cc1)C(=O)N[C@@H]1CCCN(c2ncccn2)C1 ZINC000056884924 568820932 /nfs/dbraw/zinc/82/09/32/568820932.db2.gz ZCRWNOLIMCKBTA-LJQANCHMSA-N 0 3 400.502 2.358 50 0 HEAAHN COc1cccc(SCC(=O)N[C@H]2C3CN4CC2(c2ccccc2)CN(C3)CC4)c1 ZINC000670443806 568906836 /nfs/dbraw/zinc/90/68/36/568906836.db2.gz YMNPFQPAYWRELT-IMBKEICKSA-N 0 3 423.582 2.471 50 0 HEAAHN Cc1nc2ccc(C(=O)N[C@@H]3C4CN5CC3(c3ccccc3)CN(C4)CC5)cc2o1 ZINC000670445974 568909371 /nfs/dbraw/zinc/90/93/71/568909371.db2.gz WMTLCGKCZJWBFR-NBTXJNEHSA-N 0 3 402.498 2.434 50 0 HEAAHN CCc1ccc(NC(=O)[C@H](C)NC(=O)C2CCN(C(=O)[C@@H](N)CC(C)C)CC2)cc1 ZINC000004083652 568939464 /nfs/dbraw/zinc/93/94/64/568939464.db2.gz CQEDCMIROCSRND-JXFKEZNVSA-N 0 3 416.566 2.304 50 0 biogenic HEAAHN CCS(=O)(=O)N1CCC[C@H](C(=O)NCCN2CCC(Cc3ccccc3)CC2)C1 ZINC000004111064 568944125 /nfs/dbraw/zinc/94/41/25/568944125.db2.gz OAPPNHMWUVMCKE-NRFANRHFSA-N 0 3 421.607 2.119 50 0 HEAAHN C[C@H]1CN(C)CC[C@@H]1N(C)C(=O)CN(C)C(=O)c1ccc(Br)s1 ZINC000078870157 568957829 /nfs/dbraw/zinc/95/78/29/568957829.db2.gz ZQNMPBDFERNXIM-RYUDHWBXSA-N 0 3 402.358 2.381 50 0 HEAAHN NC(=O)c1cc(S(=O)(=O)NCC2CCN(CCc3cccs3)CC2)cs1 ZINC000015731448 568981815 /nfs/dbraw/zinc/98/18/15/568981815.db2.gz XZUPLAJDEXQQNX-UHFFFAOYSA-N 0 3 413.590 2.142 50 0 HEAAHN Cc1ccc2nc(C(=O)N[C@H]3C4CN5CC3(c3ccccc3)CN(C4)CC5)c(F)n2c1 ZINC000670471171 569001619 /nfs/dbraw/zinc/00/16/19/569001619.db2.gz AMPWCGKOCQAXAZ-LBVATQBMSA-N 0 3 419.504 2.079 50 0 HEAAHN COc1cc(CN(C)C[C@@H](O)CN2CCOCC2)ccc1OCc1ccccc1 ZINC000013128345 569211349 /nfs/dbraw/zinc/21/13/49/569211349.db2.gz NRFKIBHWXYNZBB-OAQYLSRUSA-N 0 3 400.519 2.399 50 0 HEAAHN CN1CCC(N2CCN(C(=O)c3cn4ccnc(-c5ccccc5)c4n3)CC2)CC1 ZINC000065274374 569215119 /nfs/dbraw/zinc/21/51/19/569215119.db2.gz SDMAAHMDUOQSAM-UHFFFAOYSA-N 0 3 404.518 2.248 50 0 HEAAHN CCN1CCN(CCCNC(=O)c2cn3ccnc(-c4ccc(F)cc4)c3n2)CC1 ZINC000065274532 569215274 /nfs/dbraw/zinc/21/52/74/569215274.db2.gz ZAGKQFLHJAMZSX-UHFFFAOYSA-N 0 3 410.497 2.293 50 0 HEAAHN CN(CC(=O)NC[C@H](c1ccccc1)N1CCCC1)S(=O)(=O)c1ccc(F)cc1 ZINC000036883724 569231526 /nfs/dbraw/zinc/23/15/26/569231526.db2.gz BUXLGLVGBALSKF-HXUWFJFHSA-N 0 3 419.522 2.400 50 0 HEAAHN Cc1cs/c(=N\C(=O)c2ccco2)n1Cc1ccc(C(=O)NCCN(C)C)o1 ZINC000037437738 569299346 /nfs/dbraw/zinc/29/93/46/569299346.db2.gz OIEYJSGQRMTORN-VZCXRCSSSA-N 0 3 402.476 2.125 50 0 HEAAHN C[C@@H]1C[C@@H](C)CN(CC(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)C1 ZINC000007788208 569310457 /nfs/dbraw/zinc/31/04/57/569310457.db2.gz SHJCDYJTNZJFGC-HZPDHXFCSA-N 0 3 413.971 2.151 50 0 HEAAHN CCN1CCC[C@H]1CN(Cc1ccncc1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000040152875 571200657 /nfs/dbraw/zinc/20/06/57/571200657.db2.gz YADLCPGEDYBKGZ-SFHVURJKSA-N 0 3 417.535 2.247 50 0 HEAAHN Cc1cccc(N2CCn3c4c(nc32)n(C)c(=O)n(CCN2CCCCC2)c4=O)c1C ZINC000009157006 571231922 /nfs/dbraw/zinc/23/19/22/571231922.db2.gz RPUOQKMFEPYCIO-UHFFFAOYSA-N 0 3 422.533 2.151 50 0 HEAAHN COCCNC(=O)[C@@H]1C[C@@H](NCc2cccc(F)c2)CN1C1Cc2ccccc2C1 ZINC000032509041 523914939 /nfs/dbraw/zinc/91/49/39/523914939.db2.gz YJEIHJAAMNDEMK-GGAORHGYSA-N 0 3 411.521 2.288 50 0 HEAAHN Cc1ccccc1C(=O)Nc1nc(C(=O)NCCCN2CCN(C)CC2)cs1 ZINC000040355403 525066057 /nfs/dbraw/zinc/06/60/57/525066057.db2.gz ULAZVLZPMHBEFA-UHFFFAOYSA-N 0 3 401.536 2.071 50 0 HEAAHN O=C(NC[C@@H](O)CN1CCCCC1)C(=O)Nc1ccccc1SCC(F)(F)F ZINC000041642731 526485001 /nfs/dbraw/zinc/48/50/01/526485001.db2.gz DQSXZJMRWBONIF-CYBMUJFWSA-N 0 3 419.469 2.243 50 0 HEAAHN CCOC(=O)[C@@H]1C(=O)N=C(N2CCN(c3ccc(F)cc3)CC2)N[C@H]1c1ccccc1 ZINC000009340429 535501906 /nfs/dbraw/zinc/50/19/06/535501906.db2.gz TXRKAMCNDJYMPL-PMACEKPBSA-N 0 3 424.476 2.354 50 0 HEAAHN Cc1ccc(CN2CCN(C(=O)c3[nH]nc4c3CN(C(=O)C3CCC3)CC4)CC2)cc1 ZINC000034790197 557469707 /nfs/dbraw/zinc/46/97/07/557469707.db2.gz LXWHXXVVAUOJOH-UHFFFAOYSA-N 0 3 421.545 2.361 50 0 HEAAHN Cc1cccc(Cn2c(SCCN3CCCCC3)nc3c2c(=O)[nH]c(=O)n3C)c1 ZINC000004136486 557518780 /nfs/dbraw/zinc/51/87/80/557518780.db2.gz KWBJXRJLUHQAJP-UHFFFAOYSA-N 0 3 413.547 2.358 50 0 HEAAHN C[NH+](C)CCC[N-]S(=O)(=O)c1cc(Br)ccc1Br ZINC000005156558 557638316 /nfs/dbraw/zinc/63/83/16/557638316.db2.gz DEKPICLZLYSXBU-UHFFFAOYSA-N 0 3 400.136 2.442 50 0 HEAAHN COCC(=O)NC[C@H]1CCC2(CCN(Cc3ccc(OC)c(C)c3OC)CC2)O1 ZINC000011882465 558295586 /nfs/dbraw/zinc/29/55/86/558295586.db2.gz JICRJDMHGXLGHC-GOSISDBHSA-N 0 3 406.523 2.288 50 0 HEAAHN O[C@@H](COc1cccc(CNCc2ccc(F)c(F)c2)c1)CN1CCC(O)CC1 ZINC000011957599 558303807 /nfs/dbraw/zinc/30/38/07/558303807.db2.gz IYJGPIJJSKFNFF-LJQANCHMSA-N 0 3 406.473 2.451 50 0 HEAAHN CC[C@@H](C)C(=O)C(=O)N1CCC(Oc2cccc(C(=O)N(C)CCN(C)C)c2)CC1 ZINC000012302542 558372325 /nfs/dbraw/zinc/37/23/25/558372325.db2.gz BYXBIOJCJOTNLD-QGZVFWFLSA-N 0 3 417.550 2.305 50 0 HEAAHN CC(C)(CNC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1)N1CCCCC1 ZINC000014244378 558645752 /nfs/dbraw/zinc/64/57/52/558645752.db2.gz XAYCFFDUXCSICG-UHFFFAOYSA-N 0 3 407.580 2.468 50 0 HEAAHN CC(C)C[C@@H]1NC(=O)[C@H]2CN(Cc3ccc(CN4CCCCC4)s3)CCN2C1=O ZINC000014541751 558660419 /nfs/dbraw/zinc/66/04/19/558660419.db2.gz PYIVTNWMIWFXDR-VQTJNVASSA-N 0 3 418.607 2.291 50 0 HEAAHN O=C(Cn1cc(Br)ccc1=O)NC1CCN(CCc2ccccc2)CC1 ZINC000027937411 558684978 /nfs/dbraw/zinc/68/49/78/558684978.db2.gz ZMJZVYRBSMOKEI-UHFFFAOYSA-N 0 3 418.335 2.434 50 0 HEAAHN Cc1nc(N2CCCCC2)cc(N2CCN(S(=O)(=O)c3cccc(F)c3)CC2)n1 ZINC000015671294 558748454 /nfs/dbraw/zinc/74/84/54/558748454.db2.gz VVRJVHVMZNDHJZ-UHFFFAOYSA-N 0 3 419.526 2.425 50 0 HEAAHN COC(=O)CN1CCCN(CCC(=O)Nc2ccc(Br)cc2F)CC1 ZINC000072311975 558798239 /nfs/dbraw/zinc/79/82/39/558798239.db2.gz XSOJFZFUOJVVIO-UHFFFAOYSA-N 0 3 416.291 2.098 50 0 HEAAHN O=C(CSCc1nnc(C(=O)Nc2ccc(F)cc2)s1)NCCN1CCCC1 ZINC000032987179 558807094 /nfs/dbraw/zinc/80/70/94/558807094.db2.gz AJGIJMWBHHPDFL-UHFFFAOYSA-N 0 3 423.539 2.375 50 0 HEAAHN C[C@@H]1CN(C(=O)c2nc3sccn3c2CN2CCN(CC3CC3)CC2)C[C@H](C)O1 ZINC000019537068 558913956 /nfs/dbraw/zinc/91/39/56/558913956.db2.gz VESBVKFBNCOIQK-IYBDPMFKSA-N 0 3 417.579 2.173 50 0 HEAAHN C[C@H]1CN(C)CCCN1C(=O)c1cc(-c2cnn(CCO)c2)nc2ccc(F)cc21 ZINC000063871046 558960599 /nfs/dbraw/zinc/96/05/99/558960599.db2.gz GNFFAJZYQXPKGG-HNNXBMFYSA-N 0 3 411.481 2.396 50 0 HEAAHN C[C@@H](C(=O)NC1CCN(C)CC1)N(c1cccc(C(F)(F)F)c1)S(C)(=O)=O ZINC000065364639 558975743 /nfs/dbraw/zinc/97/57/43/558975743.db2.gz OEQSSPHEEJRLOQ-LBPRGKRZSA-N 0 3 407.458 2.070 50 0 HEAAHN CNC(=O)c1ccc([C@@H]2CCCN2C(=O)CCc2cc3n(n2)CCCNC3)s1 ZINC000072434212 558979833 /nfs/dbraw/zinc/97/98/33/558979833.db2.gz GQOPCOAXGUBNDW-INIZCTEOSA-N 0 3 401.536 2.094 50 0 HEAAHN CCN1CCN(CCN2CC3(CCN(Cc4cc(F)cc(F)c4)CC3)OC2=O)CC1 ZINC000072462950 558983154 /nfs/dbraw/zinc/98/31/54/558983154.db2.gz LWRNCJDRUWXWCI-UHFFFAOYSA-N 0 3 422.520 2.389 50 0 HEAAHN C[C@@H](C(=O)NC1CCN(C)CC1)N(c1cc(Cl)ccc1Cl)S(C)(=O)=O ZINC000067612638 558988998 /nfs/dbraw/zinc/98/89/98/558988998.db2.gz TUNZPSFTQZCWFL-NSHDSACASA-N 0 3 408.351 2.358 50 0 HEAAHN C[C@H](CC(=O)Nc1cccc(C(F)(F)F)c1)NC[C@H](Cc1cnn(C)c1)C(N)=O ZINC000097139563 558996742 /nfs/dbraw/zinc/99/67/42/558996742.db2.gz QITJCDXIIJWWHG-OCCSQVGLSA-N 0 3 411.428 2.090 50 0 HEAAHN C[C@@H](CC(=O)Nc1cccc(C(F)(F)F)c1)NC[C@H](Cc1cnn(C)c1)C(N)=O ZINC000097139559 558996761 /nfs/dbraw/zinc/99/67/61/558996761.db2.gz QITJCDXIIJWWHG-JSGCOSHPSA-N 0 3 411.428 2.090 50 0 HEAAHN CCCCC(=O)N1CCC2(CN(CCCN3CCN(C(C)C)CC3)C(=O)O2)CC1 ZINC000077419576 559004477 /nfs/dbraw/zinc/00/44/77/559004477.db2.gz LLPDLMWRXQCSHK-UHFFFAOYSA-N 0 3 408.587 2.406 50 0 HEAAHN Cc1ccc(CN2CC34C=CC(O3)C(C(=O)N(C)CCc3cn[nH]c3)C4C2=O)cc1C ZINC000077535682 559008632 /nfs/dbraw/zinc/00/86/32/559008632.db2.gz PUPRFVURXXUWEN-CIEVZJJWSA-N 0 3 420.513 2.010 50 0 HEAAHN Cc1ccc(C(=O)N2CCN(c3cc(N4CCN(C)CC4)nc(C)n3)CC2)c(C)c1 ZINC000082230613 559042811 /nfs/dbraw/zinc/04/28/11/559042811.db2.gz PWLXLYBRGFHQCQ-UHFFFAOYSA-N 0 3 408.550 2.116 50 0 HEAAHN CCCCCn1c(=O)[nH]c2cc(C(=O)NCCN3CCCC[C@H]3C)ccc2c1=O ZINC000004791754 559065531 /nfs/dbraw/zinc/06/55/31/559065531.db2.gz FHTGUCTVOSDWFN-MRXNPFEDSA-N 0 3 400.523 2.484 50 0 HEAAHN COCC(=O)N(Cc1cccc(F)c1)c1ccc(CC(=O)NCCN(C)C)cc1 ZINC000037555558 559254940 /nfs/dbraw/zinc/25/49/40/559254940.db2.gz JSKDXFDQZUKPTH-UHFFFAOYSA-N 0 3 401.482 2.226 50 0 HEAAHN CCOC(=O)[C@@H]1[C@H](N[C@H]2CCN(C(=O)C3CCCC3)C2)CCN1C(=O)OC(C)(C)C ZINC000252506598 559277922 /nfs/dbraw/zinc/27/79/22/559277922.db2.gz WBKXAKZXEATMAC-KSZLIROESA-N 0 3 423.554 2.308 50 0 HEAAHN COc1ccccc1NC(=O)CSc1nc(=O)n(CCN(C)C)c2c1CCCC2 ZINC000005254401 560551989 /nfs/dbraw/zinc/55/19/89/560551989.db2.gz RCHZBEXUVKTENI-UHFFFAOYSA-N 0 3 416.547 2.423 50 0 HEAAHN C[C@@H]1CN(S(=O)(=O)c2cccc(C(=O)N3CCCC[C@H]3CN(C)C)c2)C[C@H](C)O1 ZINC000106154024 560884968 /nfs/dbraw/zinc/88/49/68/560884968.db2.gz RXDCWVDKTHFECC-SCTDSRPQSA-N 0 3 423.579 2.041 50 0 HEAAHN CN(C)CCNC(=O)c1ccc(OC2CCN(Cc3cnn(C)c3)CC2)c(Cl)c1 ZINC000014963316 568487561 /nfs/dbraw/zinc/48/75/61/568487561.db2.gz RHPXSYGRBCOJLJ-UHFFFAOYSA-N 0 3 419.957 2.408 50 0 HEAAHN CC[C@H](C)[C@H](NC(=O)C1CCC(C)CC1)C(=O)NCCCN1CCN(CC)CC1 ZINC000020116240 568589474 /nfs/dbraw/zinc/58/94/74/568589474.db2.gz REERNORVGPIFBR-MAHYXTOZSA-N 0 3 408.631 2.487 50 0 HEAAHN CCCN1CCN(CCCNC(=O)CCCN2C(=O)COc3ccc(C)cc32)CC1 ZINC000020413258 568605683 /nfs/dbraw/zinc/60/56/83/568605683.db2.gz CMOXZSRWBXFOTE-UHFFFAOYSA-N 0 3 416.566 2.035 50 0 HEAAHN O=S(=O)(NC1CCN([C@H]2CCC[C@H]2O)CC1)c1cccc(Br)c1 ZINC000095972956 568671984 /nfs/dbraw/zinc/67/19/84/568671984.db2.gz XCXUIZRCIGPAOO-JKSUJKDBSA-N 0 3 403.342 2.105 50 0 HEAAHN Cc1ccc(-c2cc3c4nnc(CCC(=O)NCCN(C)C)n4ccn3n2)cc1C ZINC000096322345 568730229 /nfs/dbraw/zinc/73/02/29/568730229.db2.gz NGSIHLIJXXIPKQ-UHFFFAOYSA-N 0 3 405.506 2.271 50 0 HEAAHN CCCN1CCN(CCCNC(=O)c2ccc3c(c2)NC(=O)[C@@H]2CCCCN32)CC1 ZINC000021938355 568762910 /nfs/dbraw/zinc/76/29/10/568762910.db2.gz QLYAJQMIIBACEA-NRFANRHFSA-N 0 3 413.566 2.145 50 0 HEAAHN O=C(C1[C@@H](c2ccc3c(c2)OCO3)NC(=O)N[C@@]1(O)c1cccs1)C(F)(F)F ZINC000226538012 568814424 /nfs/dbraw/zinc/81/44/24/568814424.db2.gz KEGGPBFDMJKGQM-WOSRLPQWSA-N 0 3 414.361 2.424 50 0 HEAAHN CN(C)CCNC(=O)CNC(=S)N(Cc1ccccc1)Cc1ccccc1F ZINC000003038545 568845935 /nfs/dbraw/zinc/84/59/35/568845935.db2.gz JGHCAEKDSBKKIJ-UHFFFAOYSA-N 0 3 402.539 2.380 50 0 HEAAHN N=C1c2ccccc2CN1NC(=O)CCCCC(=O)NN1Cc2ccccc2C1=N ZINC000003288693 568872872 /nfs/dbraw/zinc/87/28/72/568872872.db2.gz ZQKVFNCBFXDZJP-UHFFFAOYSA-N 0 3 404.474 2.292 50 0 HEAAHN O=C(NC[C@@H]1CN(C2CCN(C3CCC3)CC2)C(=O)CO1)c1cccc(Cl)c1 ZINC000299771259 568874388 /nfs/dbraw/zinc/87/43/88/568874388.db2.gz UYTUMHFKDWANKB-LJQANCHMSA-N 0 3 405.926 2.314 50 0 HEAAHN O=C1CO[C@H](COc2ccc(F)cc2)CN1C1CCN(CCCn2cccn2)CC1 ZINC000299775359 568874617 /nfs/dbraw/zinc/87/46/17/568874617.db2.gz BNPMPSRFMHFHKH-NRFANRHFSA-N 0 3 416.497 2.183 50 0 HEAAHN O=C(N[C@@H]1C2CN3CC1(c1ccccc1)CN(C2)CC3)c1ccc(C(F)(F)F)nc1 ZINC000670460181 568948950 /nfs/dbraw/zinc/94/89/50/568948950.db2.gz YQNHDCIEVNPXSS-IPFXWSOASA-N 0 3 416.447 2.398 50 0 HEAAHN COc1ccc([C@@H](CNC(=O)Cn2c(=O)cnc3ccccc32)N2CCCC2)cc1 ZINC000008325903 568991539 /nfs/dbraw/zinc/99/15/39/568991539.db2.gz VNBMTZJRVFAOBY-OAQYLSRUSA-N 0 3 406.486 2.358 50 0 HEAAHN C[C@@H](C(=O)NCCN1CCCCC1)C1CCN(S(=O)(=O)c2cccs2)CC1 ZINC000035459753 569038123 /nfs/dbraw/zinc/03/81/23/569038123.db2.gz UCAWJXSEHNOEHS-MRXNPFEDSA-N 0 3 413.609 2.387 50 0 HEAAHN CC[NH+](CC)CCC[N-]S(=O)(=O)c1cc(OC)c(Br)cc1OC ZINC000256030298 569058774 /nfs/dbraw/zinc/05/87/74/569058774.db2.gz MBJBKUXSMZSKEY-UHFFFAOYSA-N 0 3 409.346 2.477 50 0 HEAAHN CC[C@H](C)C(=O)N1CCN([C@H](C(=O)NCCN2CCCCC2)C2CCCC2)CC1 ZINC000036255092 569120274 /nfs/dbraw/zinc/12/02/74/569120274.db2.gz YJHXPKRMZUVULB-FPOVZHCZSA-N 0 3 406.615 2.338 50 0 HEAAHN CCn1c2c(C(=O)N3CCC(Cc4ccccc4)CC3)cnn2c(=O)c2c1CCNC2 ZINC000064966213 569137475 /nfs/dbraw/zinc/13/74/75/569137475.db2.gz DAQJHIMLLMKPKT-UHFFFAOYSA-N 0 3 419.529 2.257 50 0 HEAAHN CC(=O)N1CCN([C@@H]2CCOC3(CCN(C(=O)Cc4cccc(F)c4)CC3)C2)CC1 ZINC000581819803 569320684 /nfs/dbraw/zinc/32/06/84/569320684.db2.gz LYKGXEMVTFAPQO-OAQYLSRUSA-N 0 3 417.525 2.073 50 0 HEAAHN COc1cc([C@@H]2NC(=O)N[C@@](O)(c3cccs3)C2C(=O)C(F)(F)F)ccc1O ZINC000027754380 569393118 /nfs/dbraw/zinc/39/31/18/569393118.db2.gz YVLUXFJDSHWBQV-HEHGZKQESA-N 0 3 416.377 2.409 50 0 HEAAHN O=C(CN1C(=O)NC2(CCN(Cc3ccccc3)CC2)C1=O)NCc1ccc(F)cc1 ZINC000008769224 571116310 /nfs/dbraw/zinc/11/63/10/571116310.db2.gz NDAQSVRPUKNCEU-UHFFFAOYSA-N 0 3 424.476 2.029 50 0 HEAAHN Cc1cc(C)cc(N2CCn3c4c(nc32)n(C)c(=O)n(CCN2CCCCC2)c4=O)c1 ZINC000008778528 571118572 /nfs/dbraw/zinc/11/85/72/571118572.db2.gz IHLANVOBHXLWBS-UHFFFAOYSA-N 0 3 422.533 2.151 50 0 HEAAHN CCN1CCN(CCCNC(=O)[C@H](NC(=O)c2ccccc2Cl)C(C)C)CC1 ZINC000040089507 571159493 /nfs/dbraw/zinc/15/94/93/571159493.db2.gz NIIBLWOZKMYJSZ-LJQANCHMSA-N 0 3 408.974 2.238 50 0 HEAAHN NS(=O)(=O)c1ccc(CCNC(=O)c2ccc(CN3CCCCC3)cc2)cc1 ZINC000009387688 571254225 /nfs/dbraw/zinc/25/42/25/571254225.db2.gz YUWCJHAZQCSQFD-UHFFFAOYSA-N 0 3 401.532 2.292 50 0 HEAAHN CCN1CCN(CCCNC(=O)[C@H]2CCCCC(=O)N2Cc2ccccc2)CC1 ZINC000581785967 1078765651 /nfs/dbraw/zinc/76/56/51/1078765651.db2.gz SRYIJAUNSYTTEG-OAQYLSRUSA-N 0 3 400.567 2.102 50 0 HEAAHN O[C@@H](COc1ccccc1CN1CCN(c2ncccn2)CC1)CN1CCCCC1 ZINC000012575299 132364510 /nfs/dbraw/zinc/36/45/10/132364510.db2.gz CCBFXHAYSPSUJF-OAQYLSRUSA-N 0 3 411.550 2.024 50 0 HEAAHN COc1ccc(CNCc2cccc(C)c2)cc1OC[C@@H](O)CN1CCN(C)CC1 ZINC000020598638 524072800 /nfs/dbraw/zinc/07/28/00/524072800.db2.gz OMAPSWSXOMQXQS-QFIPXVFZSA-N 0 3 413.562 2.281 50 0 HEAAHN O=C1N(Cc2cccc(F)c2F)CCC[C@]1(O)CN1CCN(CC2CCC2)CC1 ZINC000020536712 527037972 /nfs/dbraw/zinc/03/79/72/527037972.db2.gz ZISYHVVTJHORAG-QFIPXVFZSA-N 0 3 407.505 2.236 50 0 HEAAHN CN(C)CCn1c2c(c(SCC(=O)N3CCCc4ccccc43)nc1=O)CCC2 ZINC000004851688 535933679 /nfs/dbraw/zinc/93/36/79/535933679.db2.gz QKNMIWNFEIJDMB-UHFFFAOYSA-N 0 3 412.559 2.365 50 0 HEAAHN Nc1nonc1C(=O)NCCNCc1ccccc1OCc1ccc(Cl)cc1 ZINC000005324136 557644893 /nfs/dbraw/zinc/64/48/93/557644893.db2.gz RDDRKCQHGBWEBR-UHFFFAOYSA-N 0 3 401.854 2.404 50 0 HEAAHN CN1CCCN(c2cnn(Cc3nc(-c4ccccc4Cl)no3)c(=O)c2)CC1 ZINC000019720594 558258904 /nfs/dbraw/zinc/25/89/04/558258904.db2.gz MKJHSNQXQHWUFO-UHFFFAOYSA-N 0 3 400.870 2.137 50 0 HEAAHN O[C@@H](COc1cccc(CN2CCN(C3CCCCC3)CC2)c1)CN1CCOCC1 ZINC000019794878 558283915 /nfs/dbraw/zinc/28/39/15/558283915.db2.gz GTYCTEJGJYXXNQ-HSZRJFAPSA-N 0 3 417.594 2.209 50 0 HEAAHN COc1ccc(CN2CCOCC2)cc1OC[C@H](O)CN(C)Cc1ccccc1 ZINC000011844138 558288805 /nfs/dbraw/zinc/28/88/05/558288805.db2.gz RVUKNSGEPUNKMT-OAQYLSRUSA-N 0 3 400.519 2.399 50 0 HEAAHN CN(CC1CCN(CCc2ccc(F)cc2)CC1)C(=O)C[C@@H]1CCS(=O)(=O)C1 ZINC000011844621 558289325 /nfs/dbraw/zinc/28/93/25/558289325.db2.gz NRTZWTDYCKGLGW-IBGZPJMESA-N 0 3 410.555 2.363 50 0 HEAAHN CCN1CCN(C[C@H](O)COc2cccc(CNCc3cccc(OC)c3)c2)CC1 ZINC000019841154 558294341 /nfs/dbraw/zinc/29/43/41/558294341.db2.gz ROZPEQHZIPAKEX-QFIPXVFZSA-N 0 3 413.562 2.362 50 0 HEAAHN COc1ccccc1CCNC(=O)[C@@H]1C[C@H](n2cnnn2)CN1CC1CCCCC1 ZINC000012004551 558308981 /nfs/dbraw/zinc/30/89/81/558308981.db2.gz DNJKVQQNESFSIV-PMACEKPBSA-N 0 3 412.538 2.236 50 0 HEAAHN Cc1ccn2c(c1)nc(C(=O)N1CCCCCC1)c2CNCCN1CCC(O)CC1 ZINC000020119579 558336735 /nfs/dbraw/zinc/33/67/35/558336735.db2.gz ZDLVCYQRWOIRIM-UHFFFAOYSA-N 0 3 413.566 2.205 50 0 HEAAHN COc1ccc(C(=O)N(C)C[C@@H]2COCCO2)cc1OC1CCN(C(C)C)CC1 ZINC000012303776 558373017 /nfs/dbraw/zinc/37/30/17/558373017.db2.gz UYWQVHIWVRRIMY-LJQANCHMSA-N 0 3 406.523 2.434 50 0 HEAAHN O[C@@H](COc1ccccc1CNCCOc1cccnc1)CN1CCSCC1 ZINC000012308493 558376652 /nfs/dbraw/zinc/37/66/52/558376652.db2.gz XCDNKZHUVLQHEN-LJQANCHMSA-N 0 3 403.548 2.039 50 0 HEAAHN Cc1nn(C)c(C)c1CNC(=O)c1ccc(CN(C)CCc2ccccc2)[nH]c1=O ZINC000020776161 558412156 /nfs/dbraw/zinc/41/21/56/558412156.db2.gz CXIYNHBBQFCCJL-UHFFFAOYSA-N 0 3 407.518 2.330 50 0 HEAAHN CCN1C[C@@H](CN(C)Cc2c[nH]nc2-c2cc(OC)c(OC)c(OC)c2)CC1=O ZINC000012447031 558414577 /nfs/dbraw/zinc/41/45/77/558414577.db2.gz LHZXICLXENKCSU-CQSZACIVSA-N 0 3 402.495 2.403 50 0 HEAAHN Cn1c(=O)c2c(SCCN3CCCCC3)nc(C3CCCC3)nc2n(C)c1=O ZINC000004341263 558425054 /nfs/dbraw/zinc/42/50/54/558425054.db2.gz IPFHFONPFXMDJY-UHFFFAOYSA-N 0 3 403.552 2.263 50 0 HEAAHN COc1cc(NC(=O)N2CCN(c3cc(N(C)C)nc(C)n3)CC2)cc(OC)c1 ZINC000021795848 558449638 /nfs/dbraw/zinc/44/96/38/558449638.db2.gz XXKVGFJZRLEJBJ-UHFFFAOYSA-N 0 3 400.483 2.222 50 0 HEAAHN COCCN(CC1CCN(Cc2ccccc2OC)CC1)C(=O)[C@@H](C)n1cncn1 ZINC000012707474 558450505 /nfs/dbraw/zinc/45/05/05/558450505.db2.gz SSHDAMTXEMLYAW-GOSISDBHSA-N 0 3 415.538 2.235 50 0 HEAAHN CCN1CCN(C2CCN(c3nc4nonc4nc3NCc3ccccc3)CC2)CC1 ZINC000023358807 558551325 /nfs/dbraw/zinc/55/13/25/558551325.db2.gz FPAWMWBIJVIDSS-UHFFFAOYSA-N 0 3 422.537 2.231 50 0 HEAAHN C[C@@H]1C[C@@H](C(=O)NCC2(N(C)Cc3ccccc3)Cc3ccccc3C2)NC(=S)N1 ZINC000023366748 558552940 /nfs/dbraw/zinc/55/29/40/558552940.db2.gz JFOWSDQFKXMTAS-UTKZUKDTSA-N 0 3 422.598 2.397 50 0 HEAAHN CC(C)C[C@H]1NC(=O)[C@H]2CN(Cc3ccc(CN4CCCCC4)s3)CCN2C1=O ZINC000014537122 558658512 /nfs/dbraw/zinc/65/85/12/558658512.db2.gz PYIVTNWMIWFXDR-WOJBJXKFSA-N 0 3 418.607 2.291 50 0 HEAAHN CC(C)CCN1C(=O)N(CCN(C)C)C(=O)C12CCN(Cc1cccnc1)CC2 ZINC000014542570 558660573 /nfs/dbraw/zinc/66/05/73/558660573.db2.gz ZAZXWDIYNCWQQO-UHFFFAOYSA-N 0 3 401.555 2.288 50 0 HEAAHN COCCN1C(=O)N(CCc2ccccc2)C(=O)C12CCN([C@H](C)COC)CC2 ZINC000014742977 558667658 /nfs/dbraw/zinc/66/76/58/558667658.db2.gz NZJBRPKSGLXDGO-GOSISDBHSA-N 0 3 403.523 2.009 50 0 HEAAHN CN(C[C@H]1CCCCN1C)C(=O)c1cc(COc2ccc(-n3cncn3)cc2)on1 ZINC000014947734 558680036 /nfs/dbraw/zinc/68/00/36/558680036.db2.gz AXIUQBMGLJSAEY-QGZVFWFLSA-N 0 3 410.478 2.391 50 0 HEAAHN COC(=O)CCC(=O)N1CC[C@@]2(C1)CCCN(Cc1cccc(OC)c1OC)C2 ZINC000014981008 558691424 /nfs/dbraw/zinc/69/14/24/558691424.db2.gz KYHPELVTPQUKHE-QFIPXVFZSA-N 0 3 404.507 2.472 50 0 HEAAHN COc1ccccc1C(=O)N[C@H](CCSC)C(=O)NC1CCN(C2CC2)CC1 ZINC000029090351 558709763 /nfs/dbraw/zinc/70/97/63/558709763.db2.gz LNGAQRWEMDWYPM-GOSISDBHSA-N 0 3 405.564 2.290 50 0 HEAAHN Cc1nc(N2CCCC2)cc(N2CCN(C(=O)c3cc4ccccc4oc3=O)CC2)n1 ZINC000015838314 558756187 /nfs/dbraw/zinc/75/61/87/558756187.db2.gz ZZUKWIDIJUIMON-UHFFFAOYSA-N 0 3 419.485 2.454 50 0 HEAAHN C[C@@H]1CCCCN1CCNC(=O)COCc1nnc(C(=O)Nc2ccccc2)s1 ZINC000032987681 558807668 /nfs/dbraw/zinc/80/76/68/558807668.db2.gz TTYZVUUQCOFAPW-OAHLLOKOSA-N 0 3 417.535 2.298 50 0 HEAAHN Cc1ccc(NC(=O)c2ccccc2)c(=O)n1CC(=O)NCCN1CCCCCC1 ZINC000097938336 558824805 /nfs/dbraw/zinc/82/48/05/558824805.db2.gz AHGYHDVLJNJGQS-UHFFFAOYSA-N 0 3 410.518 2.401 50 0 HEAAHN COc1cccc(CN2CCC[C@](O)(CN3CCc4[nH]nc(C(C)C)c4C3)C2=O)c1 ZINC000067982230 558862427 /nfs/dbraw/zinc/86/24/27/558862427.db2.gz ARNHHPSQEQTRGB-QHCPKHFHSA-N 0 3 412.534 2.454 50 0 HEAAHN COc1cccc(CN2CCC[C@](O)(CN3CCc4n[nH]c(C(C)C)c4C3)C2=O)c1 ZINC000067982230 558862429 /nfs/dbraw/zinc/86/24/29/558862429.db2.gz ARNHHPSQEQTRGB-QHCPKHFHSA-N 0 3 412.534 2.454 50 0 HEAAHN COc1cccc(CN2CCC[C@@](O)(CN3CCc4[nH]nc(C(C)C)c4C3)C2=O)c1 ZINC000067982229 558862460 /nfs/dbraw/zinc/86/24/60/558862460.db2.gz ARNHHPSQEQTRGB-HSZRJFAPSA-N 0 3 412.534 2.454 50 0 HEAAHN COc1cccc(CN2CCC[C@@](O)(CN3CCc4n[nH]c(C(C)C)c4C3)C2=O)c1 ZINC000067982229 558862463 /nfs/dbraw/zinc/86/24/63/558862463.db2.gz ARNHHPSQEQTRGB-HSZRJFAPSA-N 0 3 412.534 2.454 50 0 HEAAHN Cc1ccc(S(=O)(=O)N(CC(=O)NC2CCN(C)CC2)c2ccccc2)cc1 ZINC000065364044 558975116 /nfs/dbraw/zinc/97/51/16/558975116.db2.gz PADQGNYZLVMZMF-UHFFFAOYSA-N 0 3 401.532 2.401 50 0 HEAAHN COCCN(C)CCN1CC2(CCN(Cc3ccc4c(c3)C[C@@H](C)O4)CC2)OC1=O ZINC000072447110 558982656 /nfs/dbraw/zinc/98/26/56/558982656.db2.gz AVRRVYGRCYEHEH-GOSISDBHSA-N 0 3 417.550 2.375 50 0 HEAAHN CCc1cccc(NC(=O)N2CCN(c3cc(N4CCN(C)CC4)nc(C)n3)CC2)c1 ZINC000067622477 558989901 /nfs/dbraw/zinc/98/99/01/558989901.db2.gz GGGGHEVGGOEEGS-UHFFFAOYSA-N 0 3 423.565 2.453 50 0 HEAAHN CN(CCc1ccccc1)CCN1CC2(CCN(c3ccnc(N)n3)CC2)OC1=O ZINC000077456291 559005770 /nfs/dbraw/zinc/00/57/70/559005770.db2.gz PSCUSMWHODUYAJ-UHFFFAOYSA-N 0 3 410.522 2.025 50 0 HEAAHN CN(C)CCN(C[C@H]1CCCN(Cc2ccccc2F)C1)C(=O)c1nccn1C ZINC000095510059 559083594 /nfs/dbraw/zinc/08/35/94/559083594.db2.gz FKZOWITUNAZEEM-SFHVURJKSA-N 0 3 401.530 2.475 50 0 HEAAHN COCCN1CCC(CN(C[C@H]2CCCO2)C(=O)c2ccc3nccn3c2)CC1 ZINC000096137450 559095589 /nfs/dbraw/zinc/09/55/89/559095589.db2.gz HIFCJNUVPWHQAT-HXUWFJFHSA-N 0 3 400.523 2.314 50 0 HEAAHN CCCN1CCc2nc[nH]c2C12CCN(C(=O)[C@@H]1CC(=O)OC13CCCC3)CC2 ZINC000096164916 559100970 /nfs/dbraw/zinc/10/09/70/559100970.db2.gz PNIOVWMKXRNYOZ-INIZCTEOSA-N 0 3 400.523 2.371 50 0 HEAAHN O=C(CCCN1C(=O)NC2(CCCC2)C1=O)NC1CCN(Cc2ccccc2)CC1 ZINC000014181154 559155008 /nfs/dbraw/zinc/15/50/08/559155008.db2.gz JTDDOKIHRMBKLN-UHFFFAOYSA-N 0 3 412.534 2.412 50 0 HEAAHN COc1ccc2nnc(CCCC(=O)NC3CCN(Cc4ccccc4)CC3)n2n1 ZINC000072405064 559190917 /nfs/dbraw/zinc/19/09/17/559190917.db2.gz BOUZZGCGAYSIAJ-UHFFFAOYSA-N 0 3 408.506 2.236 50 0 HEAAHN Cc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CNCC1CCCCC1 ZINC000004962739 560620889 /nfs/dbraw/zinc/62/08/89/560620889.db2.gz NHKPBFDEHVRJBB-UHFFFAOYSA-N 0 3 409.552 2.124 50 0 HEAAHN CCCN1CCN(CC2=NC(=O)N[C@@H](c3ccc(C)cc3)C2C(=O)OCC)CC1 ZINC000051318480 560858736 /nfs/dbraw/zinc/85/87/36/560858736.db2.gz ZPGFYUBLBQRCQB-FQEVSTJZSA-N 0 3 400.523 2.194 50 0 HEAAHN CCCN1CCN(CC2=C(C(=O)OCC)[C@H](c3ccc(C)cc3)NC(=O)N2)CC1 ZINC000051318480 560858738 /nfs/dbraw/zinc/85/87/38/560858738.db2.gz ZPGFYUBLBQRCQB-FQEVSTJZSA-N 0 3 400.523 2.194 50 0 HEAAHN CCN1CCN(CCCNC(=O)[C@@H](C)Oc2ccc(F)cc2Br)CC1 ZINC000048217849 568432430 /nfs/dbraw/zinc/43/24/30/568432430.db2.gz NRRGPEAICGHGIS-CQSZACIVSA-N 0 3 416.335 2.499 50 0 HEAAHN CC(C)[C@H](N[C@@H](C)C(=O)NCCc1ccc(S(N)(=O)=O)cc1)c1ccccc1 ZINC000048265258 568433943 /nfs/dbraw/zinc/43/39/43/568433943.db2.gz SFQXDKSKLLVNDO-JXFKEZNVSA-N 0 3 403.548 2.368 50 0 HEAAHN CCN1CCN(Cc2ccc(CNC(=O)C3CCN(C(=O)C4CC4)CC3)cc2)CC1 ZINC000048343431 568440682 /nfs/dbraw/zinc/44/06/82/568440682.db2.gz NMRNCIXBGSCZLP-UHFFFAOYSA-N 0 3 412.578 2.089 50 0 HEAAHN CCCN1CCN(CCCNC(=O)CCCn2sc3ccccc3c2=O)CC1 ZINC000020467434 568610611 /nfs/dbraw/zinc/61/06/11/568610611.db2.gz SCYVZUIFAYMJMQ-UHFFFAOYSA-N 0 3 404.580 2.377 50 0 HEAAHN CS(=O)(=O)c1ccc(C(=O)NCCCN2CCN(Cc3ccccc3)CC2)cc1 ZINC000029157880 568647074 /nfs/dbraw/zinc/64/70/74/568647074.db2.gz TUBHWLWAYCJZFL-UHFFFAOYSA-N 0 3 415.559 2.028 50 0 HEAAHN CCN1CCN(CCCNC(=O)COCc2cc(-c3ccc(F)cc3)on2)CC1 ZINC000020925742 568651338 /nfs/dbraw/zinc/65/13/38/568651338.db2.gz HQSPARNWPOJEHV-UHFFFAOYSA-N 0 3 404.486 2.141 50 0 HEAAHN O=C(CCc1nnc2c3cc(-c4ccc(F)cc4)nn3ccn12)NCCN1CCCC1 ZINC000096322313 568729984 /nfs/dbraw/zinc/72/99/84/568729984.db2.gz KQCZYNSFVFHNHF-UHFFFAOYSA-N 0 3 421.480 2.328 50 0 HEAAHN C[C@H](Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1)C(=O)N1CCNC1=O ZINC000021702501 568741793 /nfs/dbraw/zinc/74/17/93/568741793.db2.gz DWBIEQDLTBRYTA-SFHVURJKSA-N 0 3 407.518 2.361 50 0 HEAAHN Cn1nnnc1SCC(=O)Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1 ZINC000057315398 568826578 /nfs/dbraw/zinc/82/65/78/568826578.db2.gz YYTBEHHOYVEDLR-UHFFFAOYSA-N 0 3 423.546 2.263 50 0 HEAAHN CN1CCC[C@H]1C(=O)N1CCN(CCC(=O)Nc2cccc(Br)c2)CC1 ZINC000083877871 568922169 /nfs/dbraw/zinc/92/21/69/568922169.db2.gz OLMQEBSYORSISS-KRWDZBQOSA-N 0 3 423.355 2.016 50 0 HEAAHN O=C(CNC1=NS(=O)(=O)c2ccccc21)NCC1(N2CCCCC2)CCCCC1 ZINC000012750123 568937848 /nfs/dbraw/zinc/93/78/48/568937848.db2.gz XIDNRMLNEUWLAJ-UHFFFAOYSA-N 0 3 418.563 2.030 50 0 HEAAHN O=C(CN1CCN(c2ncccn2)CC1)NC[C@@H](c1ccccc1)N1CCCCCC1 ZINC000670461419 568951585 /nfs/dbraw/zinc/95/15/85/568951585.db2.gz VSOHPYSETDPTIA-QFIPXVFZSA-N 0 3 422.577 2.332 50 0 HEAAHN C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)CN(C)C(=O)c1ccc(Br)s1 ZINC000078870154 568957759 /nfs/dbraw/zinc/95/77/59/568957759.db2.gz ZQNMPBDFERNXIM-NEPJUHHUSA-N 0 3 402.358 2.381 50 0 HEAAHN CC[C@@H](C)C(=O)N1CCN([C@@H](C(=O)NCCN2CCCCC2)C2CCCC2)CC1 ZINC000036255094 569120282 /nfs/dbraw/zinc/12/02/82/569120282.db2.gz YJHXPKRMZUVULB-TZIWHRDSSA-N 0 3 406.615 2.338 50 0 HEAAHN CN(CCCNC(=O)Cn1c(=O)c2cccn2c2cccnc21)Cc1ccccc1 ZINC000006797267 569125196 /nfs/dbraw/zinc/12/51/96/569125196.db2.gz JJCHIYLEFJRHSO-UHFFFAOYSA-N 0 3 403.486 2.288 50 0 HEAAHN O=C(NCCN1CCCCC1)[C@H]1CCCN(c2cnn(Cc3ccccc3)c(=O)c2)C1 ZINC000065314115 569223201 /nfs/dbraw/zinc/22/32/01/569223201.db2.gz UAMUJJSZEOTHHG-NRFANRHFSA-N 0 3 423.561 2.110 50 0 HEAAHN Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)NC[C@@H](c1ccco1)N1CCCCC1 ZINC000170598326 569242422 /nfs/dbraw/zinc/24/24/22/569242422.db2.gz CQRDQDSHTPCOIZ-SFHVURJKSA-N 0 3 423.583 2.160 50 0 HEAAHN C[C@H]1C[C@H](C)CN(CC(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)C1 ZINC000007788207 569310494 /nfs/dbraw/zinc/31/04/94/569310494.db2.gz SHJCDYJTNZJFGC-HOTGVXAUSA-N 0 3 413.971 2.151 50 0 HEAAHN C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)CCn2c3ccccc3c(=O)[nH]c2=O)C1 ZINC000195529521 569312026 /nfs/dbraw/zinc/31/20/26/569312026.db2.gz MRCZQNGIAVWYJZ-FUHWJXTLSA-N 0 3 406.486 2.032 50 0 HEAAHN O=C(c1cccnc1)N1CCC2(CC1)C[C@H](N1CCN(c3ccccn3)CC1)CCO2 ZINC000581819852 569321026 /nfs/dbraw/zinc/32/10/26/569321026.db2.gz PAJWXPWFQLNHGP-OAQYLSRUSA-N 0 3 421.545 2.453 50 0 HEAAHN O=C(N[C@@H]1CCN(Cc2ccccc2)C1)[C@H](Cc1c[nH]cn1)NC(=O)C1CCCCC1 ZINC000253404725 569365894 /nfs/dbraw/zinc/36/58/94/569365894.db2.gz DOCVFDBFTJOYLG-IRLDBZIGSA-N 0 3 423.561 2.408 50 0 HEAAHN O=C(N[C@@H]1CCN(Cc2ccccc2)C1)[C@H](Cc1cnc[nH]1)NC(=O)C1CCCCC1 ZINC000253404725 569365896 /nfs/dbraw/zinc/36/58/96/569365896.db2.gz DOCVFDBFTJOYLG-IRLDBZIGSA-N 0 3 423.561 2.408 50 0 HEAAHN CN(C)CCNC(=O)COc1cc2c(c3oc(=O)c4c(c13)CCC4)CCC(C)(C)O2 ZINC000008765337 571115446 /nfs/dbraw/zinc/11/54/46/571115446.db2.gz FEKWCJKHRHEESZ-UHFFFAOYSA-N 0 3 414.502 2.442 50 0 biogenic HEAAHN O=C(Nc1ccc2c(c1)OCCO2)N1CCC2(CC1)C[C@H](N1CCOCC1)CCO2 ZINC000581784020 1078763865 /nfs/dbraw/zinc/76/38/65/1078763865.db2.gz WZJFOWFRYOUEDD-GOSISDBHSA-N 0 3 417.506 2.336 50 0 HEAAHN CN1CCCN(C(=O)CCc2nc([C@H]3CCCN3C(=O)c3ccccc3)no2)CC1 ZINC000581785870 1078765500 /nfs/dbraw/zinc/76/55/00/1078765500.db2.gz MFFHCNNSFFFCKY-GOSISDBHSA-N 0 3 411.506 2.144 50 0 HEAAHN CCn1cc(CN2CCC(N3C[C@@H](Oc4ccccc4)C[C@H]3C(=O)NC)CC2)cn1 ZINC000575552779 1076345659 /nfs/dbraw/zinc/34/56/59/1076345659.db2.gz PYQMFQSEGREXIS-VXKWHMMOSA-N 0 3 411.550 2.135 50 0 HEAAHN CCN(CC)[C@H](CNC(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C1CC1)c1ccccc1 ZINC000032908328 520866626 /nfs/dbraw/zinc/86/66/26/520866626.db2.gz MLUHGXDCQJHCSF-LJQANCHMSA-N 0 3 421.501 2.233 50 0 HEAAHN CN(C)C[C@@H](CNC(=O)Nc1ccc(S(C)(=O)=O)cc1)[C@H](O)c1ccccc1 ZINC000043417385 521824686 /nfs/dbraw/zinc/82/46/86/521824686.db2.gz BXIPUSUOOMGYIH-VQIMIIECSA-N 0 3 405.520 2.123 50 0 HEAAHN O=C(NC[C@H](O)CN1CCCCC1)C(=O)Nc1ccccc1SCC(F)(F)F ZINC000041642730 526572490 /nfs/dbraw/zinc/57/24/90/526572490.db2.gz DQSXZJMRWBONIF-ZDUSSCGKSA-N 0 3 419.469 2.243 50 0 HEAAHN CN(C)Cc1ccc(CNC(=O)c2ccc3c(c2)CCCN3S(C)(=O)=O)cc1 ZINC000012796347 536009503 /nfs/dbraw/zinc/00/95/03/536009503.db2.gz YBLOKMNUVLUXSN-UHFFFAOYSA-N 0 3 401.532 2.390 50 0 HEAAHN Nc1nonc1C(=O)NCCNCc1cccc(OCc2ccc(Cl)cc2)c1 ZINC000002444537 557348065 /nfs/dbraw/zinc/34/80/65/557348065.db2.gz VBXAXDQEMNQEOH-UHFFFAOYSA-N 0 3 401.854 2.404 50 0 HEAAHN Cc1ccc(Cn2c(SCCN3CCCCC3)nc3c2c(=O)[nH]c(=O)n3C)cc1 ZINC000004134840 557518599 /nfs/dbraw/zinc/51/85/99/557518599.db2.gz FIMLBRNZJKDEJN-UHFFFAOYSA-N 0 3 413.547 2.358 50 0 HEAAHN COc1ccc(OC[C@@H](O)CN2CCC(O)CC2)c(CNCc2ccccc2)c1 ZINC000011661053 558265076 /nfs/dbraw/zinc/26/50/76/558265076.db2.gz ZMUBSPRNYZKYPD-NRFANRHFSA-N 0 3 400.519 2.181 50 0 HEAAHN COc1ccc(CCN[C@@H]2CC(=O)N(CCc3ccc(OC)c(OC)c3)C2=O)cc1 ZINC000019770739 558279471 /nfs/dbraw/zinc/27/94/71/558279471.db2.gz IZVGKCYZCHTGPZ-LJQANCHMSA-N 0 3 412.486 2.215 50 0 HEAAHN Cc1cccc2[nH]c(CCNCc3c(C(=O)N4CCOCC4)nc4ccccn43)nc21 ZINC000019782023 558281470 /nfs/dbraw/zinc/28/14/70/558281470.db2.gz DHGJREHYCGSWJG-UHFFFAOYSA-N 0 3 418.501 2.324 50 0 HEAAHN Cc1cccc2nc(CCNCc3c(C(=O)N4CCOCC4)nc4ccccn43)[nH]c21 ZINC000019782023 558281473 /nfs/dbraw/zinc/28/14/73/558281473.db2.gz DHGJREHYCGSWJG-UHFFFAOYSA-N 0 3 418.501 2.324 50 0 HEAAHN COc1ccc(CCN(C)[C@@H]2CCCN(C(=O)CCN3CCCO3)C2)cc1OC ZINC000011839106 558285925 /nfs/dbraw/zinc/28/59/25/558285925.db2.gz JIJOMSRUMOUFDJ-LJQANCHMSA-N 0 3 405.539 2.197 50 0 HEAAHN COc1ccc(CCN(C)[C@H]2CCCN(C(=O)c3cc(C)nc(N)n3)C2)cc1OC ZINC000011843672 558288493 /nfs/dbraw/zinc/28/84/93/558288493.db2.gz LEYNKSQQAXBNAI-KRWDZBQOSA-N 0 3 413.522 2.164 50 0 HEAAHN COc1cc(CNC[C@@H](O)c2ccccc2)cc(Br)c1OCC(N)=O ZINC000019872262 558299802 /nfs/dbraw/zinc/29/98/02/558299802.db2.gz IPKAYCLGGSIBOA-OAHLLOKOSA-N 0 3 409.280 2.145 50 0 HEAAHN CC1(C)[C@@H]2C[C@H]1C(CN1CCc3nnc(CCNC(=O)c4cccnc4)n3CC1)=CC2 ZINC000011970529 558304689 /nfs/dbraw/zinc/30/46/89/558304689.db2.gz OTOGOOMTQYVWPW-PMACEKPBSA-N 0 3 420.561 2.496 50 0 HEAAHN CCOC(=O)[C@@H]1C(=O)N=C(N2CCN(Cc3ccccc3)CC2)N[C@@H]1c1ccccc1 ZINC000019899523 558304848 /nfs/dbraw/zinc/30/48/48/558304848.db2.gz ZRXWWPWDHIPZAG-LEWJYISDSA-N 0 3 420.513 2.211 50 0 HEAAHN CCOC(=O)C1=C(CN2CCN(CC)CC2)NC(=O)N[C@@H]1c1cc(C)ccc1C ZINC000020069293 558330626 /nfs/dbraw/zinc/33/06/26/558330626.db2.gz RDHWUXZCBWELNX-HXUWFJFHSA-N 0 3 400.523 2.112 50 0 HEAAHN COc1cc(-c2n[nH]cc2CN(C)CCCN2CCOCC2)cc(OC)c1OC ZINC000012301672 558371161 /nfs/dbraw/zinc/37/11/61/558371161.db2.gz BFOFBTVCPAQUDR-UHFFFAOYSA-N 0 3 404.511 2.257 50 0 HEAAHN CCOC[C@H](O)CNCc1c(C(=O)N(C)CCc2ccccc2)nc2c(C)cccn12 ZINC000012438968 558410414 /nfs/dbraw/zinc/41/04/14/558410414.db2.gz LPDOVSJROLPFRU-HXUWFJFHSA-N 0 3 424.545 2.444 50 0 HEAAHN Cc1ccc(CN2CCc3nnc(CNC(=O)CCc4cccnc4)n3CC2)cc1 ZINC000020782362 558413074 /nfs/dbraw/zinc/41/30/74/558413074.db2.gz LITBHQGYCSDRKY-UHFFFAOYSA-N 0 3 404.518 2.289 50 0 HEAAHN COc1cc(CNCc2cccc(C)c2)ccc1OC[C@@H](O)CN1CCC(O)CC1 ZINC000012577044 558431385 /nfs/dbraw/zinc/43/13/85/558431385.db2.gz CXFFLVSDUFKPOB-QFIPXVFZSA-N 0 3 414.546 2.490 50 0 HEAAHN C[C@H]1CN(C(=O)c2ccc(CNC(=O)NCCN3CCCCC3)cc2)C[C@H](C)O1 ZINC000072036966 558434645 /nfs/dbraw/zinc/43/46/45/558434645.db2.gz WYYAFKUQFHKHMB-ROUUACIJSA-N 0 3 402.539 2.221 50 0 HEAAHN COC(=O)CCC(=O)N(CCN(C)C)C[C@H]1CCCN(Cc2ccccc2F)C1 ZINC000012711759 558452947 /nfs/dbraw/zinc/45/29/47/558452947.db2.gz DFSWWIXPHDAAPT-SFHVURJKSA-N 0 3 407.530 2.381 50 0 HEAAHN COc1ccc(C(=O)N2CCC[C@H](C(N)=O)C2)cc1OC1CCN(C(C)C)CC1 ZINC000012716795 558455781 /nfs/dbraw/zinc/45/57/81/558455781.db2.gz HOXDCMVQHBDCTP-KRWDZBQOSA-N 0 3 403.523 2.284 50 0 HEAAHN COc1ccc(CN2CCN(C)CC2)cc1OC[C@@H](O)CN(C)Cc1ccccc1 ZINC000022851921 558516902 /nfs/dbraw/zinc/51/69/02/558516902.db2.gz XLMYARWGXKYXCR-QFIPXVFZSA-N 0 3 413.562 2.314 50 0 HEAAHN COc1ccc(CNCc2ccc(F)cc2)cc1OC[C@H](O)CN1CCN(C)CC1 ZINC000022919304 558522125 /nfs/dbraw/zinc/52/21/25/558522125.db2.gz DLROBHIQXIQCEP-OAQYLSRUSA-N 0 3 417.525 2.111 50 0 HEAAHN Cn1c(CCN2CCN(C)CC2)nc2cc(NC(=O)COc3ccccc3)ccc21 ZINC000022919065 558522182 /nfs/dbraw/zinc/52/21/82/558522182.db2.gz JOFLMBNRGPNVST-UHFFFAOYSA-N 0 3 407.518 2.381 50 0 HEAAHN O=C1C[C@@H](NCCCN2CCN(Cc3ccccc3)CC2)C(=O)N1c1ccc(F)cc1 ZINC000022972168 558528510 /nfs/dbraw/zinc/52/85/10/558528510.db2.gz WBVZISLTLRUMSO-JOCHJYFZSA-N 0 3 424.520 2.255 50 0 HEAAHN COc1ccc(CNCc2cccc(F)c2)c(OC[C@H](O)CN2CCN(C)CC2)c1 ZINC000023375268 558554928 /nfs/dbraw/zinc/55/49/28/558554928.db2.gz ORAZCKQNQYAAAU-OAQYLSRUSA-N 0 3 417.525 2.111 50 0 HEAAHN CN(C)CCSc1nc(-c2ccccc2Cl)nc2c1c(=O)n(C)c(=O)n2C ZINC000013724813 558583774 /nfs/dbraw/zinc/58/37/74/558583774.db2.gz WNYMIDVRUUWNCN-UHFFFAOYSA-N 0 3 405.911 2.001 50 0 HEAAHN COc1ccc([C@@H](CNC(=O)Cn2[nH]c(=O)c3ccccc3c2=O)N2CCCC2)cc1 ZINC000025778246 558649798 /nfs/dbraw/zinc/64/97/98/558649798.db2.gz IKTRVBAQJFVCAU-HXUWFJFHSA-N 0 3 422.485 2.064 50 0 HEAAHN C[C@H](CO)N1CCC2(CC1)C(=O)N(Cc1cccnc1)C(=O)N2CCc1ccccc1 ZINC000014740493 558666467 /nfs/dbraw/zinc/66/64/67/558666467.db2.gz AMAYSTGRUBNYFT-LJQANCHMSA-N 0 3 422.529 2.304 50 0 HEAAHN COC(=O)CC[C@H]1CN(Cc2cc(OC)cc(OC)c2)CC[C@H]1N1CCOCC1 ZINC000014879792 558675715 /nfs/dbraw/zinc/67/57/15/558675715.db2.gz LJXOZBCJYWJRJZ-GHTZIAJQSA-N 0 3 406.523 2.180 50 0 HEAAHN O=C(NCCCN1CCN(Cc2ccccc2)CC1)N[C@H]1COc2ccccc2C1 ZINC000022938070 558726581 /nfs/dbraw/zinc/72/65/81/558726581.db2.gz ZKIDMGXOQJCIML-JOCHJYFZSA-N 0 3 408.546 2.497 50 0 HEAAHN CCOC(=O)C1=C(N)Oc2cc(C)n(CCN(C)C)c(=O)c2[C@@H]1c1ccccc1F ZINC000004570638 558742856 /nfs/dbraw/zinc/74/28/56/558742856.db2.gz YJWQSLMCWMFPNM-KRWDZBQOSA-N 0 3 415.465 2.115 50 0 HEAAHN Cc1cccc(NC(=O)Nc2ccc(C)n(CC(=O)NCCN3CCCC3)c2=O)c1 ZINC000097938444 558825016 /nfs/dbraw/zinc/82/50/16/558825016.db2.gz QWOJTVIVUDYQKU-UHFFFAOYSA-N 0 3 411.506 2.321 50 0 HEAAHN CNS(=O)(=O)c1cccc(C(=O)N2CCCN(CCCc3ccccc3)CC2)c1 ZINC000058246461 558914713 /nfs/dbraw/zinc/91/47/13/558914713.db2.gz PDGXDSWSVXWZOH-UHFFFAOYSA-N 0 3 415.559 2.375 50 0 HEAAHN COc1ccc(NC(=O)c2nnc(CCC(=O)NCCN3CCCCC3)s2)cc1 ZINC000033061824 558955491 /nfs/dbraw/zinc/95/54/91/558955491.db2.gz FWGGIXQBERQFHT-UHFFFAOYSA-N 0 3 417.535 2.334 50 0 HEAAHN COc1ccc(N(CC(=O)NC2CCN(C)CC2)S(=O)(=O)c2ccccc2)cc1 ZINC000065362762 558973626 /nfs/dbraw/zinc/97/36/26/558973626.db2.gz AUPTYJYJWVWFML-UHFFFAOYSA-N 0 3 417.531 2.101 50 0 HEAAHN CC(C)N1CCN(CCN2CC3(CCN(C(=O)c4ccccc4)CC3)OC2=O)CC1 ZINC000077488761 559007239 /nfs/dbraw/zinc/00/72/39/559007239.db2.gz WMQLNFNZMJCQQC-UHFFFAOYSA-N 0 3 414.550 2.140 50 0 HEAAHN CC(C)N1CCN(CCCN2CC3(CCN(C(=O)CC4CC4)CC3)OC2=O)CC1 ZINC000077515982 559007887 /nfs/dbraw/zinc/00/78/87/559007887.db2.gz BESNRHWXJLHBKB-UHFFFAOYSA-N 0 3 406.571 2.016 50 0 HEAAHN CCC[C@H](N)C(=O)N1CCc2ccc(S(=O)(=O)NCc3ccc(C)o3)cc2C1 ZINC000077518415 559008077 /nfs/dbraw/zinc/00/80/77/559008077.db2.gz XZKOUIHUUCXFQT-IBGZPJMESA-N 0 3 405.520 2.079 50 0 HEAAHN O=C(CN1C(=O)NC2(CCN(Cc3ccccc3)CC2)C1=O)Nc1ccccc1F ZINC000008769204 559064720 /nfs/dbraw/zinc/06/47/20/559064720.db2.gz BMAWZXBTUJBXIW-UHFFFAOYSA-N 0 3 410.449 2.351 50 0 HEAAHN CCCCCn1c(=O)[nH]c2cc(C(=O)NCCN3CCC(C)CC3)ccc2c1=O ZINC000004791308 559065650 /nfs/dbraw/zinc/06/56/50/559065650.db2.gz YQJOCPULGSPYGV-UHFFFAOYSA-N 0 3 400.523 2.342 50 0 HEAAHN Cc1noc(C)c1CN(C)Cc1cccc(OC[C@@H](O)CN2CCC(O)CC2)c1 ZINC000095501745 559082490 /nfs/dbraw/zinc/08/24/90/559082490.db2.gz LTBGUUZKZUXHLH-FQEVSTJZSA-N 0 3 403.523 2.120 50 0 HEAAHN CCN(CC)CCn1c2c(c(SCC(=O)Nc3nccs3)nc1=O)CCC2 ZINC000005254240 560552018 /nfs/dbraw/zinc/55/20/18/560552018.db2.gz XMAFLVFDCMGQNX-UHFFFAOYSA-N 0 3 407.565 2.261 50 0 HEAAHN CN(C)CCn1c(=O)nc(SCC(=O)N2CCc3ccccc32)c2c1CCCC2 ZINC000005254439 560552118 /nfs/dbraw/zinc/55/21/18/560552118.db2.gz NHAKOTWANXVUSP-UHFFFAOYSA-N 0 3 412.559 2.365 50 0 HEAAHN CCN1CCN(c2ccc(NC(=O)CCN3C(=O)[C@H]4CC=CC[C@@H]4C3=O)cc2C)CC1 ZINC000102120180 560807654 /nfs/dbraw/zinc/80/76/54/560807654.db2.gz DTSDTHGDMBBZOI-PMACEKPBSA-N 0 3 424.545 2.417 50 0 HEAAHN Cc1ncoc1C(=O)N1CCC2(CC1)C[C@H](N1CCN(CC(C)C)CC1)CCO2 ZINC000575555322 560855610 /nfs/dbraw/zinc/85/56/10/560855610.db2.gz AHSUNGYLURJURK-LJQANCHMSA-N 0 3 404.555 2.410 50 0 HEAAHN O=C(CN1CCCCCC1)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000007339549 568479174 /nfs/dbraw/zinc/47/91/74/568479174.db2.gz YHQIOIGGZCDJSE-UHFFFAOYSA-N 0 3 405.973 2.110 50 0 HEAAHN COC[C@@H](O)CN1CCC(NC(=O)c2sc3nc(C4CC4)nc(C)c3c2C)CC1 ZINC000095445007 568611641 /nfs/dbraw/zinc/61/16/41/568611641.db2.gz XYBNEJFMFBCOBQ-INIZCTEOSA-N 0 3 418.563 2.387 50 0 HEAAHN CC(C)NC(=O)CN(C)C1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1 ZINC000095449613 568613724 /nfs/dbraw/zinc/61/37/24/568613724.db2.gz GCOZCGYCMMARLL-UHFFFAOYSA-N 0 3 407.580 2.175 50 0 HEAAHN Cc1cccc([S@@](=O)Cc2ccc(C(=O)NCCCN3CCN(C)CC3)o2)c1 ZINC000020514523 568622475 /nfs/dbraw/zinc/62/24/75/568622475.db2.gz JFNAVYRGKIIKCG-MUUNZHRXSA-N 0 3 403.548 2.263 50 0 HEAAHN COc1ccc(N2CCC[C@@H](C(=O)NC3CCN(Cc4ccccc4)CC3)C2)nn1 ZINC000095478349 568631802 /nfs/dbraw/zinc/63/18/02/568631802.db2.gz XPQFGBGOIYNZBF-LJQANCHMSA-N 0 3 409.534 2.482 50 0 HEAAHN C[C@H](CC[N-]S(=O)(=O)c1ccc(-c2ccc(=O)[nH]n2)s1)[NH+]1CCCCCC1 ZINC000020985055 568655077 /nfs/dbraw/zinc/65/50/77/568655077.db2.gz YVYZEXHWOVMDOM-CQSZACIVSA-N 0 3 410.565 2.431 50 0 HEAAHN O=S(=O)(NC1CCN([C@@H]2CCC[C@H]2O)CC1)c1cccc(Br)c1 ZINC000095972955 568672090 /nfs/dbraw/zinc/67/20/90/568672090.db2.gz XCXUIZRCIGPAOO-HZPDHXFCSA-N 0 3 403.342 2.105 50 0 HEAAHN C[C@@H](Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1)C(=O)N1CCNC1=O ZINC000021702497 568741866 /nfs/dbraw/zinc/74/18/66/568741866.db2.gz DWBIEQDLTBRYTA-GOSISDBHSA-N 0 3 407.518 2.361 50 0 HEAAHN Cc1ccc2c(c1)[nH]c(=O)c1c(C(=O)NC3CCN(Cc4ccccc4)CC3)nnn12 ZINC000096397710 568746307 /nfs/dbraw/zinc/74/63/07/568746307.db2.gz DFFDNQJPVCHZFN-UHFFFAOYSA-N 0 3 416.485 2.274 50 0 HEAAHN CCc1nc2c(s1)c(C)nn(CC(=O)N1CCN(C3CCCCC3)CC1)c2=O ZINC000096400100 568749469 /nfs/dbraw/zinc/74/94/69/568749469.db2.gz RGTZCDARHWYIPU-UHFFFAOYSA-N 0 3 403.552 2.201 50 0 HEAAHN C[C@H]1CN(C)CC[C@@H]1NC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 ZINC000052198044 568759508 /nfs/dbraw/zinc/75/95/08/568759508.db2.gz NDUVVMIZMQMBOB-KKSFZXQISA-N 0 3 419.591 2.032 50 0 HEAAHN O=C(N[C@@H]1C2CN3CC1(c1ccccc1)CN(C2)CC3)c1ccc(-n2cccn2)cc1 ZINC000670440571 568893841 /nfs/dbraw/zinc/89/38/41/568893841.db2.gz UWTUEMJWYQAJFU-JKJRPBHFSA-N 0 3 413.525 2.170 50 0 HEAAHN Cc1ccc(S(=O)(=O)N(C)CC(=O)NCc2ccc(CN(C)C)cc2)cc1C ZINC000030876357 568898263 /nfs/dbraw/zinc/89/82/63/568898263.db2.gz KKUOWULPSRWJOG-UHFFFAOYSA-N 0 3 403.548 2.302 50 0 HEAAHN O=C(N[C@H]1C2CN3CC1(c1ccccc1)CN(C2)CC3)c1cccc(-c2ncc[nH]2)c1 ZINC000670455392 568931426 /nfs/dbraw/zinc/93/14/26/568931426.db2.gz RLFXILMSMGNZCJ-CVCZCXRASA-N 0 3 413.525 2.374 50 0 HEAAHN Cc1cc(C(=O)NCC2CCN(CCO)CC2)ccc1I ZINC000084090282 568937215 /nfs/dbraw/zinc/93/72/15/568937215.db2.gz GFAONQQRAXKYOP-UHFFFAOYSA-N 0 3 402.276 2.034 50 0 HEAAHN COCCN(C)CCCNC(=O)c1ccnc(Cl)c1I ZINC000089340350 569058627 /nfs/dbraw/zinc/05/86/27/569058627.db2.gz VFEHMOLWVONMPX-UHFFFAOYSA-N 0 3 411.671 2.038 50 0 HEAAHN Cc1noc(C)c1CCNC(=O)C(=O)Nc1ccc(OCCN(C)C)c(Cl)c1 ZINC000089529230 569069799 /nfs/dbraw/zinc/06/97/99/569069799.db2.gz HZUWOOJPUUCPIW-UHFFFAOYSA-N 0 3 408.886 2.183 50 0 HEAAHN CC[C@H](C)C(=O)N1CCN([C@@H](C(=O)NCCN2CCCCC2)C2CCCC2)CC1 ZINC000036255095 569120325 /nfs/dbraw/zinc/12/03/25/569120325.db2.gz YJHXPKRMZUVULB-PZJWPPBQSA-N 0 3 406.615 2.338 50 0 HEAAHN C[C@H](C(=O)NCCN(C)C)C1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000065062101 569166029 /nfs/dbraw/zinc/16/60/29/569166029.db2.gz LZWSLBHJLFCMQQ-LBPRGKRZSA-N 0 3 407.989 2.116 50 0 HEAAHN CN(C)CCN(Cc1ccccc1)C(=O)Cn1ncc2c3ccccc3[nH]c2c1=O ZINC000006937775 569185167 /nfs/dbraw/zinc/18/51/67/569185167.db2.gz HJSLZEOKQYBFNR-UHFFFAOYSA-N 0 3 403.486 2.468 50 0 HEAAHN O=C(NCCN1CCCCC1)C1CCN(c2cnc(N3CCCCC3)nc2)CC1 ZINC000065166551 569188776 /nfs/dbraw/zinc/18/87/76/569188776.db2.gz KASITLQYHCLAFE-UHFFFAOYSA-N 0 3 400.571 2.285 50 0 HEAAHN CN(C)CCNC(=O)c1ccc(-c2nnc3ccc(NC(=O)C4CCC4)cn32)cc1 ZINC000065209879 569196516 /nfs/dbraw/zinc/19/65/16/569196516.db2.gz XLYUDQMMQWQUGN-UHFFFAOYSA-N 0 3 406.490 2.426 50 0 HEAAHN COC(=O)c1cc(S(=O)(=O)NCC2CCN(Cc3ccc(C)cc3)CC2)cn1C ZINC000007007089 569199846 /nfs/dbraw/zinc/19/98/46/569199846.db2.gz URHOGUJMCLREHL-UHFFFAOYSA-N 0 3 419.547 2.311 50 0 HEAAHN CCOC(=O)N1CCN(C(=O)c2cccc(N3CCN[C@@H](c4ccccc4)C3)n2)CC1 ZINC000065256240 569208224 /nfs/dbraw/zinc/20/82/24/569208224.db2.gz QCKVKHSXFVJZNB-HXUWFJFHSA-N 0 3 423.517 2.147 50 0 HEAAHN O=C(Cn1ncc2c1ncnc2N1CCCC1)NC1CCN(Cc2ccccc2)CC1 ZINC000065294971 569218617 /nfs/dbraw/zinc/21/86/17/569218617.db2.gz GSRBMTDEMKJIGT-UHFFFAOYSA-N 0 3 419.533 2.207 50 0 HEAAHN CN(C)CCN(Cc1cccc(Cl)c1)C(=O)CNS(=O)(=O)c1cccs1 ZINC000065936904 569304309 /nfs/dbraw/zinc/30/43/09/569304309.db2.gz JQXCUFDNIHNFHW-UHFFFAOYSA-N 0 3 415.968 2.270 50 0 HEAAHN CC1CCN([C@@H](CNC(=O)C2CCN(S(C)(=O)=O)CC2)c2cccs2)CC1 ZINC000027575308 569374773 /nfs/dbraw/zinc/37/47/73/569374773.db2.gz PDJDTXGONKAFCB-KRWDZBQOSA-N 0 3 413.609 2.309 50 0 HEAAHN CCN1CCN(CCNC(=O)CCC2CCN(C(=O)c3ccccc3F)CC2)CC1 ZINC000581774259 1078748424 /nfs/dbraw/zinc/74/84/24/1078748424.db2.gz FSZHGCSBXFCQHP-UHFFFAOYSA-N 0 3 418.557 2.212 50 0 HEAAHN CCN1CCN(c2ccc(NC(=O)CCNS(=O)(=O)c3ccccc3)cc2)CC1 ZINC000008164146 132328220 /nfs/dbraw/zinc/32/82/20/132328220.db2.gz UEOKVTYBWVGUPN-UHFFFAOYSA-N 0 3 416.547 2.136 50 0 HEAAHN Cc1ccn2c(c1)nc(C(=O)N1CCCCCC1)c2CNCCCN1CCOCC1 ZINC000020601131 525608960 /nfs/dbraw/zinc/60/89/60/525608960.db2.gz BQNFKYWIGWYDFG-UHFFFAOYSA-N 0 3 413.566 2.471 50 0 HEAAHN Cc1ccc(C(=O)N(CCC(=O)N2CCNCC2)CCN2CCCC[C@@H]2C)cc1 ZINC000045966922 526071436 /nfs/dbraw/zinc/07/14/36/526071436.db2.gz GTWIUQDSEQUWJM-FQEVSTJZSA-N 0 3 400.567 2.134 50 0 HEAAHN CCOc1ccc2nc(N3CCC(N[C@@H]4CCS(=O)(=O)C4)CC3)nc(C)c2c1 ZINC000012212275 535442368 /nfs/dbraw/zinc/44/23/68/535442368.db2.gz BPMXNUMQSSNLGM-MRXNPFEDSA-N 0 3 404.536 2.082 50 0 HEAAHN COc1ccc(CNCc2ccccc2C)cc1OC[C@@H](O)CN1CCN(C)CC1 ZINC000019744329 558264707 /nfs/dbraw/zinc/26/47/07/558264707.db2.gz UKBZDDJXMUEPMS-QFIPXVFZSA-N 0 3 413.562 2.281 50 0 HEAAHN CN(CC1CCN(CCc2cccc(C(F)(F)F)c2)CC1)C(=O)CCn1cnnn1 ZINC000012001899 558308382 /nfs/dbraw/zinc/30/83/82/558308382.db2.gz SBOZAWOUFGENNX-UHFFFAOYSA-N 0 3 424.471 2.495 50 0 HEAAHN COc1ccc(CCN[C@H]2CC(=O)N(c3ccc(NC(C)=O)cc3)C2=O)cc1OC ZINC000019972526 558316339 /nfs/dbraw/zinc/31/63/39/558316339.db2.gz YIDPUHCIBUVUHX-SFHVURJKSA-N 0 3 411.458 2.126 50 0 HEAAHN COc1ccc(-c2cc3ccccc3n2C[C@H](O)CN2CCN(CCO)CC2)cc1 ZINC000019973629 558316495 /nfs/dbraw/zinc/31/64/95/558316495.db2.gz PUPJUOFXSFHWKW-OAQYLSRUSA-N 0 3 409.530 2.288 50 0 HEAAHN CCN1CCC[C@H]1CNC(=O)c1ccc(OC2CCN(C(=O)CCOC)CC2)cc1 ZINC000012704628 558449387 /nfs/dbraw/zinc/44/93/87/558449387.db2.gz GMGDAZXJOPAMQG-IBGZPJMESA-N 0 3 417.550 2.307 50 0 HEAAHN O=C(Nc1ccnn1C1CCN(Cc2cccc(OCCO)c2)CC1)[C@@H]1CCOC1 ZINC000012713114 558453830 /nfs/dbraw/zinc/45/38/30/558453830.db2.gz LBNKBDGSAOGYHR-GOSISDBHSA-N 0 3 414.506 2.066 50 0 HEAAHN COc1ccc(S(=O)(=O)NCCCN2CCCC2)cc1C(=O)N1CCCCC1 ZINC000013613015 558548984 /nfs/dbraw/zinc/54/89/84/558548984.db2.gz SCHYYNOCIUYWLL-UHFFFAOYSA-N 0 3 409.552 2.086 50 0 HEAAHN CS(=O)(=O)NCCc1ccc(C(=O)NC2CCN(Cc3ccccc3)CC2)cc1 ZINC000014121502 558622488 /nfs/dbraw/zinc/62/24/88/558622488.db2.gz YXCMCJXOLRNQIH-UHFFFAOYSA-N 0 3 415.559 2.173 50 0 HEAAHN CC(C)CCN1C(=O)N(CCN(C)C)C(=O)C12CCN(Cc1nccs1)CC2 ZINC000014538598 558658974 /nfs/dbraw/zinc/65/89/74/558658974.db2.gz AHARXWLOGOSDQQ-UHFFFAOYSA-N 0 3 407.584 2.350 50 0 HEAAHN COc1ccc2cc(CNC[C@H](O)CO)c(=O)n(Cc3ccccc3Cl)c2c1 ZINC000014954351 558681896 /nfs/dbraw/zinc/68/18/96/558681896.db2.gz MADLJUGUJXBWRL-KRWDZBQOSA-N 0 3 402.878 2.155 50 0 HEAAHN CN(C)CCN(C[C@H]1CCCN(Cc2ccccc2F)C1)C(=O)c1ccc[n+]([O-])c1 ZINC000014979068 558690510 /nfs/dbraw/zinc/69/05/10/558690510.db2.gz ZKBSXAUIHZVENA-IBGZPJMESA-N 0 3 414.525 2.375 50 0 HEAAHN CCc1c(C(=O)NCCn2nc(C)cc2C)c(=O)cc(C)n1CCN1CCCCC1 ZINC000014990097 558694002 /nfs/dbraw/zinc/69/40/02/558694002.db2.gz AVCJEUQIRXCZRB-UHFFFAOYSA-N 0 3 413.566 2.448 50 0 HEAAHN CC(=O)NCc1ccc(S(=O)(=O)NC[C@@H](C(C)C)N2CCC(C)CC2)s1 ZINC000030422109 558730154 /nfs/dbraw/zinc/73/01/54/558730154.db2.gz ADZITVHQFUVINT-KRWDZBQOSA-N 0 3 401.598 2.419 50 0 HEAAHN COc1cccc(CN(C)CCC2CCOCC2)c1OC[C@H](O)CN1CCOCC1 ZINC000039353963 558820252 /nfs/dbraw/zinc/82/02/52/558820252.db2.gz XYTLGQKJYINABY-OAQYLSRUSA-N 0 3 422.566 2.016 50 0 HEAAHN CN(C)C(=O)c1nc2ccc(Cl)cn2c1CNCCc1nc(-c2cccnc2)n[nH]1 ZINC000019335184 558869757 /nfs/dbraw/zinc/86/97/57/558869757.db2.gz DXCKZILUNXZXSW-UHFFFAOYSA-N 0 3 424.896 2.202 50 0 HEAAHN Cc1c(C(=O)NCCN2CCC(C)CC2)sc2ncnc(N3CCN(C)CC3)c12 ZINC000033048303 558885080 /nfs/dbraw/zinc/88/50/80/558885080.db2.gz DFXYUWJLPFNPDB-UHFFFAOYSA-N 0 3 416.595 2.213 50 0 HEAAHN COc1cc(OC)cc(C(=O)N[C@H](C(=O)NCCN2CCCC[C@@H]2C)C(C)C)c1 ZINC000060524425 558905200 /nfs/dbraw/zinc/90/52/00/558905200.db2.gz FEQQPXLECBVUBP-JXFKEZNVSA-N 0 3 405.539 2.449 50 0 HEAAHN CCN1CCC(N(C)C(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3N2C(=O)c2cnn(C)c2C)CC1 ZINC000058166236 558906953 /nfs/dbraw/zinc/90/69/53/558906953.db2.gz GNDIWIHDBCRDFG-YYWHXJBOSA-N 0 3 415.582 2.445 50 0 HEAAHN O=C(NC[C@H]([C@H]1CCOC1)N1CCOCC1)Nc1cccc(CN2CCCC2)c1 ZINC000058297357 558917393 /nfs/dbraw/zinc/91/73/93/558917393.db2.gz XWUFCHHOBGXQAD-PZJWPPBQSA-N 0 3 402.539 2.141 50 0 HEAAHN CN1CCC(NC(=O)[C@H]2CCCN(S(=O)(=O)Cc3cccc(Cl)c3)C2)CC1 ZINC000072434082 558979694 /nfs/dbraw/zinc/97/96/94/558979694.db2.gz GTAUUQDCRZTRGY-INIZCTEOSA-N 0 3 413.971 2.092 50 0 HEAAHN CCS(=O)(=O)N1CCC(C(=O)Nc2ccc(OC3CCN(C)CC3)cc2)CC1 ZINC000067604909 558988775 /nfs/dbraw/zinc/98/87/75/558988775.db2.gz VFYOIEQMLIPDFN-UHFFFAOYSA-N 0 3 409.552 2.160 50 0 HEAAHN CCN1CCN(CCCN2CC3(CCN(C(=O)CC(C)(C)C)CC3)OC2=O)CC1 ZINC000077357645 559002445 /nfs/dbraw/zinc/00/24/45/559002445.db2.gz CJCXTRZCVMUBHN-UHFFFAOYSA-N 0 3 408.587 2.264 50 0 HEAAHN C[C@@H](N)C(=O)N1CCc2cc(S(=O)(=O)NCc3ccc(Cl)cc3)ccc2C1 ZINC000077407327 559004221 /nfs/dbraw/zinc/00/42/21/559004221.db2.gz USWHDBYCKVQICB-CYBMUJFWSA-N 0 3 407.923 2.050 50 0 HEAAHN CN(C)CCN(C)C(=O)c1cccc(OC2CCN(C(=O)N3CCCC3)CC2)c1 ZINC000095518947 559084842 /nfs/dbraw/zinc/08/48/42/559084842.db2.gz YUTHJNMAQZRIRN-UHFFFAOYSA-N 0 3 402.539 2.379 50 0 HEAAHN COc1ccc(CN(C)Cc2cnn(C)c2C)c(OC[C@H](O)CN2CCCC2)c1 ZINC000095520483 559085078 /nfs/dbraw/zinc/08/50/78/559085078.db2.gz AFXJIAPZOVZXDE-HXUWFJFHSA-N 0 3 402.539 2.205 50 0 HEAAHN CCCCCN1CCN(c2nc3c(c(=O)[nH]c(=O)n3C)n2Cc2ccc(C)cc2)CC1 ZINC000005147916 559252751 /nfs/dbraw/zinc/25/27/51/559252751.db2.gz LXPRCZCJGANBDO-UHFFFAOYSA-N 0 3 424.549 2.092 50 0 HEAAHN COc1ccc(NC(=O)CSc2nc(=O)n(CCN(C)C)c3c2CCCC3)cc1 ZINC000005254408 560551938 /nfs/dbraw/zinc/55/19/38/560551938.db2.gz USTGDLQYOYNPST-UHFFFAOYSA-N 0 3 416.547 2.423 50 0 HEAAHN CCN1CCN(c2ccc(NC(=O)CCN3C(=O)[C@@H]4CC=CC[C@@H]4C3=O)cc2C)CC1 ZINC000102120176 560807643 /nfs/dbraw/zinc/80/76/43/560807643.db2.gz DTSDTHGDMBBZOI-BGYRXZFFSA-N 0 3 424.545 2.417 50 0 HEAAHN CSc1nnnn1-c1cccc(NC(=O)N(CCN(C)C)Cc2cccnc2)c1 ZINC000048237071 568433067 /nfs/dbraw/zinc/43/30/67/568433067.db2.gz HLMSQYLJHUPMFT-UHFFFAOYSA-N 0 3 412.523 2.375 50 0 HEAAHN CCOC(=O)C1=C(CN2CCN([C@H](C)CC)CC2)NC(=O)N[C@H]1c1ccccc1 ZINC000020284065 568596883 /nfs/dbraw/zinc/59/68/83/568596883.db2.gz RLQHEAKHHIFDLV-UZLBHIALSA-N 0 3 400.523 2.274 50 0 HEAAHN CCOC(=O)C1C(CN2CCN([C@H](C)CC)CC2)=NC(=O)N[C@H]1c1ccccc1 ZINC000020284065 568596884 /nfs/dbraw/zinc/59/68/84/568596884.db2.gz RLQHEAKHHIFDLV-UZLBHIALSA-N 0 3 400.523 2.274 50 0 HEAAHN Cc1nnc2ccc(C(=O)N3CCC[C@@H](CN4CCN(c5ccccn5)CC4)C3)cn12 ZINC000095393613 568604403 /nfs/dbraw/zinc/60/44/03/568604403.db2.gz IFIZWSALICRMQP-IBGZPJMESA-N 0 3 419.533 2.107 50 0 HEAAHN Cn1c2ccccc2c2cnn(CC(=O)N3CCN(C4CCCCC4)CC3)c(=O)c21 ZINC000020415701 568605963 /nfs/dbraw/zinc/60/59/63/568605963.db2.gz IPVBZSUECBWYOK-UHFFFAOYSA-N 0 3 407.518 2.365 50 0 HEAAHN C[C@H](O)CN1CCC(CN(C)S(=O)(=O)c2sccc2Br)CC1 ZINC000095433019 568609364 /nfs/dbraw/zinc/60/93/64/568609364.db2.gz XSDYVZGFCWOPIF-NSHDSACASA-N 0 3 411.387 2.224 50 0 HEAAHN CC1CCN(CCNC(=O)Cn2c3cccnc3n(-c3ccc(F)cc3)c2=O)CC1 ZINC000096385823 568742104 /nfs/dbraw/zinc/74/21/04/568742104.db2.gz MWOHKOUCMKTCRA-UHFFFAOYSA-N 0 3 411.481 2.174 50 0 HEAAHN C[C@@H]1CN(C)CC[C@@H]1NC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 ZINC000052198041 568759579 /nfs/dbraw/zinc/75/95/79/568759579.db2.gz NDUVVMIZMQMBOB-IERDGZPVSA-N 0 3 419.591 2.032 50 0 HEAAHN COC(=O)/C=C1\SCC(=O)N1CCCN1CCCN(Cc2ccccc2)CC1 ZINC000097272329 568771416 /nfs/dbraw/zinc/77/14/16/568771416.db2.gz AHZKKWXSIKTQGU-HKWRFOASSA-N 0 3 403.548 2.174 50 0 HEAAHN COc1ncccc1C(=O)N1CCOc2ccc(CN3CCCC[C@H]3CO)cc2C1 ZINC000299765961 568873776 /nfs/dbraw/zinc/87/37/76/568873776.db2.gz YLYFNTCSLDSXQZ-IBGZPJMESA-N 0 3 411.502 2.472 50 0 HEAAHN O=C(N[C@@H]1C2CN3CC1(c1ccccc1)CN(C2)CC3)c1cc(F)c(F)cc1F ZINC000670438247 568883508 /nfs/dbraw/zinc/88/35/08/568883508.db2.gz ORGDTAHFBRXDDS-ZWZMAAFHSA-N 0 3 401.432 2.401 50 0 HEAAHN Cc1ccc(N2CCCn3c4c(nc32)n(C)c(=O)n(CCN2CCCCC2)c4=O)cc1 ZINC000004249158 568954118 /nfs/dbraw/zinc/95/41/18/568954118.db2.gz XNVHMQFKSOAKDU-UHFFFAOYSA-N 0 3 422.533 2.233 50 0 HEAAHN COC(=O)c1cc(S(=O)(=O)N2CCC[C@H](CN3CCc4ccccc4C3)C2)c[nH]1 ZINC000015731740 568981739 /nfs/dbraw/zinc/98/17/39/568981739.db2.gz QIMQCAQWWMDPSO-MRXNPFEDSA-N 0 3 417.531 2.260 50 0 HEAAHN CCN1CCC[C@H]1CNC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1OC ZINC000012421772 568991173 /nfs/dbraw/zinc/99/11/73/568991173.db2.gz OWMDPSGCSJAQMJ-INIZCTEOSA-N 0 3 409.552 2.084 50 0 HEAAHN COc1ccc(S(=O)(=O)NCCNc2cc(N3CCCC3)nc(C)n2)c(C)c1C ZINC000038488309 568997622 /nfs/dbraw/zinc/99/76/22/568997622.db2.gz ZRSKAXDMMAVMKF-UHFFFAOYSA-N 0 3 419.551 2.401 50 0 HEAAHN O=S(=O)(c1ccc(NC[C@H](c2cccs2)N2CCCC2)nc1)N1CCOCC1 ZINC000012850408 569010391 /nfs/dbraw/zinc/01/03/91/569010391.db2.gz ADZXHAQKWDXVFH-QGZVFWFLSA-N 0 3 422.576 2.413 50 0 HEAAHN Cc1nc(-c2ccc(S(=O)(=O)NCC3CCN([C@@H]4CCOC4)CC3)cc2)co1 ZINC000575605267 569032064 /nfs/dbraw/zinc/03/20/64/569032064.db2.gz CDAVFQPASPSLIV-GOSISDBHSA-N 0 3 405.520 2.429 50 0 HEAAHN O=C(CCN(CCN1CCCCC1)C(=O)c1cnccn1)NCc1ccc(F)cc1 ZINC000035819312 569061473 /nfs/dbraw/zinc/06/14/73/569061473.db2.gz DETKXVCNFSBMKW-UHFFFAOYSA-N 0 3 413.497 2.250 50 0 HEAAHN Cc1noc(C)c1CN1CCc2c(C(=O)NCC3(O)CCN(C)CC3)csc2C1 ZINC000426697606 569073940 /nfs/dbraw/zinc/07/39/40/569073940.db2.gz WYSHKPBTYSZYIM-UHFFFAOYSA-N 0 3 418.563 2.098 50 0 HEAAHN O=C(NCCN1CCCCCC1)c1cc(=O)nc2sc(N3CCCCCC3)nn21 ZINC000064836633 569104948 /nfs/dbraw/zinc/10/49/48/569104948.db2.gz URQUAGVXEKATKP-UHFFFAOYSA-N 0 3 418.567 2.137 50 0 HEAAHN O=C(NCCN1CCCCC1)[C@@H]1CCCN(c2cnn(Cc3ccccc3)c(=O)c2)C1 ZINC000065314116 569223219 /nfs/dbraw/zinc/22/32/19/569223219.db2.gz UAMUJJSZEOTHHG-OAQYLSRUSA-N 0 3 423.561 2.110 50 0 HEAAHN CC(C)c1nc(S(=O)(=O)[N-]CC2CC[NH+](C3CCSCC3)CC2)cn1C ZINC000239593098 569235565 /nfs/dbraw/zinc/23/55/65/569235565.db2.gz DOTVTJNTQBNFGL-UHFFFAOYSA-N 0 3 400.614 2.429 50 0 HEAAHN CCN1CCC(N(C)C(=O)[C@@H]2C[C@H]3CCCC[C@H]3N2C(=O)c2cnn(C)c2C)CC1 ZINC000252452395 569286409 /nfs/dbraw/zinc/28/64/09/569286409.db2.gz GNDIWIHDBCRDFG-UIFIKXQLSA-N 0 3 415.582 2.445 50 0 HEAAHN Cc1ccc(NC(=O)[C@H](C)NC(=O)C2CCN(C(=O)[C@@H](N)CC(C)C)CC2)cc1 ZINC000002138724 569287584 /nfs/dbraw/zinc/28/75/84/569287584.db2.gz LNUBQOFWFSORMC-LPHOPBHVSA-N 0 3 402.539 2.050 50 0 biogenic HEAAHN CCCNC(=O)N1CCC2(CC1)C[C@@H](N1CCN(c3ccccn3)CC1)CCO2 ZINC000581820197 569321077 /nfs/dbraw/zinc/32/10/77/569321077.db2.gz XLULRFCJKMWXHU-IBGZPJMESA-N 0 3 401.555 2.337 50 0 HEAAHN O=C(C1[C@@H](c2ccc3c(c2)OCO3)NC(=O)N[C@]1(O)c1cccs1)C(F)(F)F ZINC000027754372 569393069 /nfs/dbraw/zinc/39/30/69/569393069.db2.gz KEGGPBFDMJKGQM-IOASZLSFSA-N 0 3 414.361 2.424 50 0 HEAAHN CO[C@H](C)c1noc(CN2CCCN(CCC(=O)N3CCc4ccccc43)CC2)n1 ZINC000079022046 569424406 /nfs/dbraw/zinc/42/44/06/569424406.db2.gz SZMLVISSRVZBKE-QGZVFWFLSA-N 0 3 413.522 2.264 50 0 HEAAHN CCOc1cc(CNc2ccn(CCN(C)C)n2)ccc1O[C@@H](C)C(=O)N(C)C ZINC000079093381 569427146 /nfs/dbraw/zinc/42/71/46/569427146.db2.gz BYGKMLWRDQMBKL-INIZCTEOSA-N 0 3 403.527 2.311 50 0 HEAAHN COC(=O)C1C(CN2CCN(C3CCCCC3)CC2)=NC(=O)N[C@H]1c1ccccc1 ZINC000067286648 571064596 /nfs/dbraw/zinc/06/45/96/571064596.db2.gz MNYMROQJRQLXOL-NRFANRHFSA-N 0 3 412.534 2.418 50 0 HEAAHN C[C@@H](NCc1ccccc1CN1CCOCC1)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000008734781 571109577 /nfs/dbraw/zinc/10/95/77/571109577.db2.gz CXEUJWRPZPBLNN-QGZVFWFLSA-N 0 3 411.502 2.407 50 0 HEAAHN O=C(CN1c2ccccc2C(=O)N2CCCC[C@@H]2C1=O)NCCN1CCCCCC1 ZINC000039265924 571317711 /nfs/dbraw/zinc/31/77/11/571317711.db2.gz DQHTWESHWRWRRX-HXUWFJFHSA-N 0 3 412.534 2.020 50 0 HEAAHN O=C(CCN1CCN(C/C=C/c2ccccc2)CC1)N1CCN(c2ccccn2)CC1 ZINC000044849575 526487101 /nfs/dbraw/zinc/48/71/01/526487101.db2.gz WRZPIJFFUQRPFG-RMKNXTFCSA-N 0 3 419.573 2.451 50 0 HEAAHN NC(=O)[C@@H]1CC(C(=O)NC[C@H](c2ccccc2)N2CCCC2)=NN1c1ccccc1 ZINC000032772372 526958963 /nfs/dbraw/zinc/95/89/63/526958963.db2.gz ONLRHEJXXVVRJQ-LEWJYISDSA-N 0 3 405.502 2.060 50 0 HEAAHN NC(=O)[C@H]1CC(C(=O)NC[C@H](c2ccccc2)N2CCCC2)=NN1c1ccccc1 ZINC000032772373 526998035 /nfs/dbraw/zinc/99/80/35/526998035.db2.gz ONLRHEJXXVVRJQ-NHCUHLMSSA-N 0 3 405.502 2.060 50 0 HEAAHN CCOC(=O)[C@@H]1C(=O)N=C(N2CCN(c3ccccc3)CC2)N[C@@H]1c1ccccc1 ZINC000002227468 535503061 /nfs/dbraw/zinc/50/30/61/535503061.db2.gz GJZQWFUJWDYITH-VQTJNVASSA-N 0 3 406.486 2.215 50 0 HEAAHN COc1ccc(/C=C(\NC(=O)c2ccc(C)cc2)C(=O)NCCN(C)C)cc1OC ZINC000004803870 557598966 /nfs/dbraw/zinc/59/89/66/557598966.db2.gz DKYYAJRAWBFMIK-RGEXLXHISA-N 0 3 411.502 2.461 50 0 HEAAHN CCOc1c(Br)cc(CNCCSc2nnnn2C)cc1OC ZINC000008253345 557778079 /nfs/dbraw/zinc/77/80/79/557778079.db2.gz GCBNSNHUJPDHCG-UHFFFAOYSA-N 0 3 402.318 2.262 50 0 HEAAHN COc1ccc(S(=O)(=O)NCCCN2CCCC2)cc1C(=O)N1CCCCCC1 ZINC000010450168 558257625 /nfs/dbraw/zinc/25/76/25/558257625.db2.gz ZBEUNTGJCUYRIF-UHFFFAOYSA-N 0 3 423.579 2.476 50 0 HEAAHN COCCC(=O)N[C@@H](C)c1nnc2n1CCN(Cc1ccc3ncccc3c1)CC2 ZINC000011786386 558276180 /nfs/dbraw/zinc/27/61/80/558276180.db2.gz JQEFRKPKLFVHSH-INIZCTEOSA-N 0 3 408.506 2.098 50 0 HEAAHN COCC(=O)Nc1cc2nc(C3CCC3)n(C)c2c(C(=O)N2CC[C@H](N(C)C)C2)c1 ZINC000011911535 558296923 /nfs/dbraw/zinc/29/69/23/558296923.db2.gz USDHNGNERPWZBT-INIZCTEOSA-N 0 3 413.522 2.202 50 0 HEAAHN O=CN1CCCN(Cc2cccc(OC[C@H](O)CN3CCc4ccccc4C3)c2)CC1 ZINC000012298975 558369004 /nfs/dbraw/zinc/36/90/04/558369004.db2.gz LHOMYMMZGHNFPQ-XMMPIXPASA-N 0 3 423.557 2.149 50 0 HEAAHN CN(C)CCN(C[C@H]1CCCN(Cc2ccccc2F)C1)C(=O)CCn1cncn1 ZINC000012386181 558395100 /nfs/dbraw/zinc/39/51/00/558395100.db2.gz MFMHXTSDZJREHB-IBGZPJMESA-N 0 3 416.545 2.110 50 0 HEAAHN COCCN1CCC(CN(C)c2nc3nonc3nc2NCc2ccccc2)CC1 ZINC000012432772 558407112 /nfs/dbraw/zinc/40/71/12/558407112.db2.gz UFBIJBOJFBCAMY-UHFFFAOYSA-N 0 3 411.510 2.420 50 0 HEAAHN COc1cc(C)c(CN2CCc3nnc(CNC(=O)c4ccncc4)n3CC2)cc1C ZINC000020783283 558413083 /nfs/dbraw/zinc/41/30/83/558413083.db2.gz FVKRLWFDJDDDMG-UHFFFAOYSA-N 0 3 420.517 2.287 50 0 HEAAHN CC(C)Oc1ccc(CN2CC[C@@H](N(C)CCc3ccccn3)[C@H](O)C2)cc1CO ZINC000012448264 558415393 /nfs/dbraw/zinc/41/53/93/558415393.db2.gz ABEQMYIYALTVED-DHIUTWEWSA-N 0 3 413.562 2.471 50 0 HEAAHN O=C(C1CCN(C2CCN(c3nc4ccccc4o3)CC2)CC1)N1CCC[C@H]1CO ZINC000020858626 558417612 /nfs/dbraw/zinc/41/76/12/558417612.db2.gz PDGLAJRKCNVKRJ-IBGZPJMESA-N 0 3 412.534 2.492 50 0 HEAAHN Cn1c(=O)c2c(SCCN3CCCC3)nc(C3CCCCC3)nc2n(C)c1=O ZINC000004341295 558424986 /nfs/dbraw/zinc/42/49/86/558424986.db2.gz NKNATUNQPPTFPU-UHFFFAOYSA-N 0 3 403.552 2.263 50 0 HEAAHN O=C(COc1ccccc1)NCCc1nnc2n1CCN(Cc1ccccc1)CC2 ZINC000020999887 558428263 /nfs/dbraw/zinc/42/82/63/558428263.db2.gz LNKUOCLDUMQZML-UHFFFAOYSA-N 0 3 405.502 2.074 50 0 HEAAHN COc1cc(CNCc2cccc(C)c2)ccc1OC[C@H](O)CN1CCC(O)CC1 ZINC000012577049 558431271 /nfs/dbraw/zinc/43/12/71/558431271.db2.gz CXFFLVSDUFKPOB-JOCHJYFZSA-N 0 3 414.546 2.490 50 0 HEAAHN COc1cccc(CN2CCC[C@]3(CCN(C(=O)CN4CCCC4=O)C3)C2)c1OC ZINC000012712859 558453616 /nfs/dbraw/zinc/45/36/16/558453616.db2.gz MTRPSJMEARQLCZ-QHCPKHFHSA-N 0 3 415.534 2.141 50 0 HEAAHN COc1ccc(C(=O)N2CCC[C@@H](C(N)=O)C2)cc1OC1CCN(C(C)C)CC1 ZINC000012716792 558455658 /nfs/dbraw/zinc/45/56/58/558455658.db2.gz HOXDCMVQHBDCTP-QGZVFWFLSA-N 0 3 403.523 2.284 50 0 HEAAHN COc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)NC1CCN(C)CC1 ZINC000023187956 558541400 /nfs/dbraw/zinc/54/14/00/558541400.db2.gz IHGFGGIVBJUKMS-UHFFFAOYSA-N 0 3 409.552 2.084 50 0 HEAAHN COc1cc(CNCCCN2CCOCC2)ccc1Oc1nnnn1-c1ccccc1 ZINC000013736237 558588563 /nfs/dbraw/zinc/58/85/63/558588563.db2.gz YVIGJPLBLGSVCV-UHFFFAOYSA-N 0 3 424.505 2.275 50 0 HEAAHN CN(C)[C@@H](CNC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1)Cc1ccccc1 ZINC000024551716 558601069 /nfs/dbraw/zinc/60/10/69/558601069.db2.gz MJXCDTOUIOPLSU-PKOBYXMFSA-N 0 3 409.486 2.057 50 0 HEAAHN COCCN1C(=O)N(C(C)C)C(=O)C12CCN(Cc1ccc3c(c1)OCO3)CC2 ZINC000014531492 558656287 /nfs/dbraw/zinc/65/62/87/558656287.db2.gz KSTMUVYVALXOIV-UHFFFAOYSA-N 0 3 403.479 2.069 50 0 HEAAHN O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)NC1CCN(Cc2ccccc2)CC1 ZINC000027064265 558669267 /nfs/dbraw/zinc/66/92/67/558669267.db2.gz KHXNOURMTYEOKU-ZJOUEHCJSA-N 0 3 416.591 2.493 50 0 biogenic HEAAHN COCCN1C(=O)N(Cc2ccccc2)C2(CCN([C@H]3CCSC3)CC2)C1=O ZINC000014752416 558671065 /nfs/dbraw/zinc/67/10/65/558671065.db2.gz CNQPNPKHSLJACU-SFHVURJKSA-N 0 3 403.548 2.437 50 0 HEAAHN COc1cccc(CNCc2ccc(OC[C@H](O)CN3CCOCC3)c(OC)c2)c1 ZINC000014971841 558687611 /nfs/dbraw/zinc/68/76/11/558687611.db2.gz ZJOPFCFXKYNOTK-HXUWFJFHSA-N 0 3 416.518 2.066 50 0 HEAAHN CN(C[C@@H]1CCCN(CCc2ccccc2F)C1)C(=O)CN1C(=O)CSC1=O ZINC000014974826 558688765 /nfs/dbraw/zinc/68/87/65/558688765.db2.gz VTSBVAYCHVXUKT-HNNXBMFYSA-N 0 3 407.511 2.234 50 0 HEAAHN CN(C)Cc1cc(-c2ccccc2)ccc1OCC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000015008215 558699494 /nfs/dbraw/zinc/69/94/94/558699494.db2.gz FZANXIAWAWYXDR-IBGZPJMESA-N 0 3 402.516 2.097 50 0 HEAAHN COc1cccc(CNCCCc2ccccc2)c1OC[C@@H](O)CN1CCOCC1 ZINC000015071455 558713049 /nfs/dbraw/zinc/71/30/49/558713049.db2.gz USEZCRVERKPEJZ-QFIPXVFZSA-N 0 3 414.546 2.490 50 0 HEAAHN COCC(=O)N1CCC(Oc2ccc(C(=O)N(C)C[C@@H]3CCCN(C)C3)cc2)CC1 ZINC000015073856 558714550 /nfs/dbraw/zinc/71/45/50/558714550.db2.gz DSRCLEFYJMJEDT-GOSISDBHSA-N 0 3 417.550 2.117 50 0 HEAAHN CCN1CCC[C@H]1CNC(=O)CCC1CCN(C(=O)c2n[nH]c3c2CCC3)CC1 ZINC000015077663 558717304 /nfs/dbraw/zinc/71/73/04/558717304.db2.gz MNIJDDNFRLHJDX-KRWDZBQOSA-N 0 3 401.555 2.131 50 0 HEAAHN COc1ccc(C(=O)N2C[C@H](O)[C@@H](N(C)Cc3ccccc3-n3cccn3)C2)cc1 ZINC000039461384 558821450 /nfs/dbraw/zinc/82/14/50/558821450.db2.gz SEXKLQDFNKJPNX-VXKWHMMOSA-N 0 3 406.486 2.198 50 0 HEAAHN Cc1ccc(NC(=O)c2ccccc2)c(=O)n1CC(=O)NCCN1CCCC[C@@H]1C ZINC000097938338 558824882 /nfs/dbraw/zinc/82/48/82/558824882.db2.gz YGYGVJCIUNFJQD-KRWDZBQOSA-N 0 3 410.518 2.400 50 0 HEAAHN Cc1c(C(=O)NCCN2CCCCCC2)sc2ncnc(N3CCN(C)CC3)c12 ZINC000033048282 558885055 /nfs/dbraw/zinc/88/50/55/558885055.db2.gz BFEBGWDCTDTDAZ-UHFFFAOYSA-N 0 3 416.595 2.357 50 0 HEAAHN O=C(NC[C@@H]([C@H]1CCOC1)N1CCOCC1)Nc1cccc(CN2CCCC2)c1 ZINC000058297354 558917322 /nfs/dbraw/zinc/91/73/22/558917322.db2.gz XWUFCHHOBGXQAD-FPOVZHCZSA-N 0 3 402.539 2.141 50 0 HEAAHN CC[C@@H](C(=O)NC1CCN(C)CC1)N(c1ccc(C)c(Cl)c1)S(C)(=O)=O ZINC000065362210 558972851 /nfs/dbraw/zinc/97/28/51/558972851.db2.gz PIPRCDYMTGKBGL-KRWDZBQOSA-N 0 3 401.960 2.403 50 0 HEAAHN Cc1nc(N2CCOCC2)cc(N2CCN(C(=O)Nc3cccc(F)c3C)CC2)n1 ZINC000065363390 558974384 /nfs/dbraw/zinc/97/43/84/558974384.db2.gz VKTSSCNMZBRNOB-UHFFFAOYSA-N 0 3 414.485 2.423 50 0 HEAAHN Cc1nc(N2CCCC2)cc(N2CCN(S(=O)(=O)Cc3ccccc3)CC2)n1 ZINC000065363635 558974798 /nfs/dbraw/zinc/97/47/98/558974798.db2.gz PNXXXAKOXTUVJA-UHFFFAOYSA-N 0 3 401.536 2.037 50 0 HEAAHN Cc1nc(NCCNC(=O)c2ccc(C(F)(F)F)cc2)cc(N2CCOCC2)n1 ZINC000065364009 558975160 /nfs/dbraw/zinc/97/51/60/558975160.db2.gz ZTPCWZKUGQMGCJ-UHFFFAOYSA-N 0 3 409.412 2.482 50 0 HEAAHN CN(c1ccccc1F)S(=O)(=O)c1cccc(C(=O)NC2CCN(C)CC2)c1 ZINC000067339064 558986367 /nfs/dbraw/zinc/98/63/67/558986367.db2.gz VHPJRDDGEXCIOU-UHFFFAOYSA-N 0 3 405.495 2.475 50 0 HEAAHN C[C@H](C(=O)NC1CCN(C)CC1)N(c1cc(Cl)ccc1Cl)S(C)(=O)=O ZINC000067612641 558989003 /nfs/dbraw/zinc/98/90/03/558989003.db2.gz TUNZPSFTQZCWFL-LLVKDONJSA-N 0 3 408.351 2.358 50 0 HEAAHN C[C@H](N)C(=O)N1CCc2cc(S(=O)(=O)NCc3ccc(Cl)cc3)ccc2C1 ZINC000077436848 559005037 /nfs/dbraw/zinc/00/50/37/559005037.db2.gz USWHDBYCKVQICB-ZDUSSCGKSA-N 0 3 407.923 2.050 50 0 HEAAHN COc1ccc(C(=O)N[C@@H](C)Cn2cncn2)cc1OC1CCN(C(C)C)CC1 ZINC000095498722 559081901 /nfs/dbraw/zinc/08/19/01/559081901.db2.gz GEFNPKJGTYDRBW-INIZCTEOSA-N 0 3 401.511 2.357 50 0 HEAAHN O=S(=O)(c1ccc(NC2CCN(Cc3ccccc3)CC2)nc1)N1CCOCC1 ZINC000024014428 559187557 /nfs/dbraw/zinc/18/75/57/559187557.db2.gz VDLRWYOJFCLTNI-UHFFFAOYSA-N 0 3 416.547 2.179 50 0 HEAAHN O=C(NCc1ccccc1)C1C(=O)N(Cc2ccccc2)C(=O)[C@H]1C1(O)CCCC1 ZINC000100710406 559259307 /nfs/dbraw/zinc/25/93/07/559259307.db2.gz AZLBELZNTLQDJJ-PMACEKPBSA-N 0 3 406.482 2.409 50 0 HEAAHN CCN1CCN(CCCNC(=O)[C@H](C)Oc2ccc(F)cc2Br)CC1 ZINC000048217850 568432490 /nfs/dbraw/zinc/43/24/90/568432490.db2.gz NRRGPEAICGHGIS-AWEZNQCLSA-N 0 3 416.335 2.499 50 0 HEAAHN CC(C)[C@@H](N[C@H](C)C(=O)NCCc1ccc(S(N)(=O)=O)cc1)c1ccccc1 ZINC000048265264 568433940 /nfs/dbraw/zinc/43/39/40/568433940.db2.gz SFQXDKSKLLVNDO-OXQOHEQNSA-N 0 3 403.548 2.368 50 0 HEAAHN CC[C@@H](C)[C@H](NC(=O)C1CCC(C)CC1)C(=O)NCCCN1CCN(CC)CC1 ZINC000020116238 568589496 /nfs/dbraw/zinc/58/94/96/568589496.db2.gz REERNORVGPIFBR-KOQKOIQBSA-N 0 3 408.631 2.487 50 0 HEAAHN CCOC(=O)C1=C(CN2CCN([C@H](C)CC)CC2)NC(=O)N[C@@H]1c1ccc(F)cc1 ZINC000020214264 568594662 /nfs/dbraw/zinc/59/46/62/568594662.db2.gz KNRVBYUXFRNVLV-FOIQADDNSA-N 0 3 418.513 2.413 50 0 HEAAHN CC(C)N(CCN(C(=O)Cc1ccc2c(c1)OCO2)[C@H]1CCS(=O)(=O)C1)C(C)C ZINC000095367785 568602209 /nfs/dbraw/zinc/60/22/09/568602209.db2.gz GLRZYDKEHLPZOP-SFHVURJKSA-N 0 3 424.563 2.092 50 0 HEAAHN CCN1CCN(CCCNC(=O)CCCn2c3ccccc3n3cccc3c2=O)CC1 ZINC000020489803 568614262 /nfs/dbraw/zinc/61/42/62/568614262.db2.gz GMWCSRSBGXUAJW-UHFFFAOYSA-N 0 3 423.561 2.178 50 0 HEAAHN COCC(=O)Nc1ccc(N(C)C)c(CN(CCN(C)C)C(=O)c2ccco2)c1 ZINC000096203931 568704386 /nfs/dbraw/zinc/70/43/86/568704386.db2.gz UANHQMKUZFRKMD-UHFFFAOYSA-N 0 3 402.495 2.135 50 0 HEAAHN NS(=O)(=O)c1ccc(OCCN2CCCN(Cc3ccc(F)cc3)CC2)cc1 ZINC000028171100 568781536 /nfs/dbraw/zinc/78/15/36/568781536.db2.gz YNLQHTYMQULLHT-UHFFFAOYSA-N 0 3 407.511 2.060 50 0 HEAAHN COc1cccc(C[N@@H+]2CC[C@@H](N3CCN(C)CC3)[C@@H](CCC(=O)[O-])C2)c1OC ZINC000299782445 568875161 /nfs/dbraw/zinc/87/51/61/568875161.db2.gz WZDPRUHXYKLCCL-PKOBYXMFSA-N 0 3 405.539 2.007 50 0 HEAAHN COc1cccc(C[N@H+]2CC[C@@H](N3CCN(C)CC3)[C@@H](CCC(=O)[O-])C2)c1OC ZINC000299782445 568875163 /nfs/dbraw/zinc/87/51/63/568875163.db2.gz WZDPRUHXYKLCCL-PKOBYXMFSA-N 0 3 405.539 2.007 50 0 HEAAHN CS(=O)(=O)c1ccc(C2(C(=O)NCCN3CCCC[C@@H]3CO)CCCCC2)cc1 ZINC000670439269 568882762 /nfs/dbraw/zinc/88/27/62/568882762.db2.gz PPEQLDZZSORWBK-LJQANCHMSA-N 0 3 422.591 2.255 50 0 HEAAHN CN(C)[C@@H](CNC(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1)c1ccccc1 ZINC000003408080 568897506 /nfs/dbraw/zinc/89/75/06/568897506.db2.gz QPACDHJSPZUZEA-SFHVURJKSA-N 0 3 409.939 2.380 50 0 HEAAHN CC(C(=O)NC[C@@H]1CCCO1)S(=O)(=O)Cc1csc(Cc2ccccc2)n1 ZINC000046178626 568934218 /nfs/dbraw/zinc/93/42/18/568934218.db2.gz HZJXAAOJFYPXLJ-YOEHRIQHSA-N 0 3 408.545 2.332 50 0 HEAAHN CC(C)N(C)Cc1nnnn1CC(=O)NC[C@@H](c1ccccc1)N1CCCCCC1 ZINC000012763931 568947164 /nfs/dbraw/zinc/94/71/64/568947164.db2.gz MQYLUOWARDUUTJ-FQEVSTJZSA-N 0 3 413.570 2.247 50 0 HEAAHN CC[C@](C)(NCCc1c[nH]c2ccccc12)c1nnnn1CCCN1CCOCC1 ZINC000575443632 569028459 /nfs/dbraw/zinc/02/84/59/569028459.db2.gz FEKXQIAFCVPZOE-QFIPXVFZSA-N 0 3 411.554 2.334 50 0 HEAAHN CCN(CC)S(=O)(=O)c1ccc2c(cc(C(=O)NCCN3CCCCC3)n2C)c1 ZINC000035561023 569044972 /nfs/dbraw/zinc/04/49/72/569044972.db2.gz PIDFMIBVSDWFSL-UHFFFAOYSA-N 0 3 420.579 2.425 50 0 HEAAHN O=C(CN1CC[C@@H]2CCCC[C@H]2C1)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000242273632 569055066 /nfs/dbraw/zinc/05/50/66/569055066.db2.gz YENCCWUXGFEIHT-OALUTQOASA-N 0 3 405.564 2.032 50 0 HEAAHN O=C(NCCN1CCCCC1)[C@@H](C1CCCC1)N1CCN(C(=O)C2CCCC2)CC1 ZINC000036255040 569120075 /nfs/dbraw/zinc/12/00/75/569120075.db2.gz VBHLUDLBURTHMZ-JOCHJYFZSA-N 0 3 418.626 2.482 50 0 HEAAHN Cc1ccc(NC(=O)N2CC(=O)N(CC(=O)NCCN(C)C)c3ccccc32)cc1 ZINC000064971452 569138208 /nfs/dbraw/zinc/13/82/08/569138208.db2.gz RPGXAEPDDPDQGM-UHFFFAOYSA-N 0 3 409.490 2.058 50 0 HEAAHN Cn1cc(CN2CCC(C(=O)NCCN3CCOCC3)CC2)c2cc(Cl)ccc21 ZINC000065060075 569163943 /nfs/dbraw/zinc/16/39/43/569163943.db2.gz RIVVOECKZMTAJY-UHFFFAOYSA-N 0 3 418.969 2.492 50 0 HEAAHN COCCCN1CCC(NC(=O)CN2C(=S)N=NC2c2cccc(C)c2)CC1 ZINC000065610166 569237624 /nfs/dbraw/zinc/23/76/24/569237624.db2.gz OTCIQZHIVHNFLP-UHFFFAOYSA-N 0 3 403.552 2.159 50 0 HEAAHN COc1ccc(OC)c(-c2cc(C(=O)N[C@H](C)CCN3CCN(C)CC3)no2)c1 ZINC000170598027 569242202 /nfs/dbraw/zinc/24/22/02/569242202.db2.gz YHVQHJTWJJLSQZ-OAHLLOKOSA-N 0 3 402.495 2.115 50 0 HEAAHN CCOC(=O)C1=C(CN2CCCN(C)CC2)NC(=O)N[C@H]1c1ccc(SC)cc1 ZINC000067287058 571065239 /nfs/dbraw/zinc/06/52/39/571065239.db2.gz LNMRRGWCXKMBDO-IBGZPJMESA-N 0 3 418.563 2.217 50 0 HEAAHN COc1cc(=O)n2c(c1C(=O)N[C@H](c1nc3cc(C)ccc3[nH]1)C(C)C)CCNCC2 ZINC000670472605 571096413 /nfs/dbraw/zinc/09/64/13/571096413.db2.gz QQWGSBJYIVPYAT-NRFANRHFSA-N 0 3 423.517 2.314 50 0 HEAAHN COc1cc(=O)n2c(c1C(=O)N[C@H](c1nc3ccc(C)cc3[nH]1)C(C)C)CCNCC2 ZINC000670472605 571096418 /nfs/dbraw/zinc/09/64/18/571096418.db2.gz QQWGSBJYIVPYAT-NRFANRHFSA-N 0 3 423.517 2.314 50 0 HEAAHN C[C@@H](NS(=O)(=O)c1cccs1)C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000040088174 571158677 /nfs/dbraw/zinc/15/86/77/571158677.db2.gz XFNGIYKRMGJZOY-OAHLLOKOSA-N 0 3 407.561 2.196 50 0 HEAAHN COc1cc(OC)cc(C(=O)N[C@@H](C(=O)NCCN2CCCC[C@H]2C)C(C)C)c1 ZINC000040107552 571167747 /nfs/dbraw/zinc/16/77/47/571167747.db2.gz FEQQPXLECBVUBP-OXQOHEQNSA-N 0 3 405.539 2.449 50 0 HEAAHN COc1cc(OC)cc(C(=O)N[C@@H](C(=O)NCCN2CCCC[C@@H]2C)C(C)C)c1 ZINC000040107553 571167859 /nfs/dbraw/zinc/16/78/59/571167859.db2.gz FEQQPXLECBVUBP-OXJNMPFZSA-N 0 3 405.539 2.449 50 0 HEAAHN CN1CCCN(C(=O)CCc2nc([C@@H]3CCCN3C(=O)c3ccccc3)no2)CC1 ZINC000581785877 1078765461 /nfs/dbraw/zinc/76/54/61/1078765461.db2.gz MFFHCNNSFFFCKY-SFHVURJKSA-N 0 3 411.506 2.144 50 0 HEAAHN COCCO[C@@H]1CN(C2CCN(C(=O)c3cnc(C)cn3)CC2)C12CCCCC2 ZINC000581803569 1078779946 /nfs/dbraw/zinc/77/99/46/1078779946.db2.gz YCWWDCFWWKHTBF-HXUWFJFHSA-N 0 3 402.539 2.440 50 0 HEAAHN NC(=O)C1(N2CCCCC2)CCN(c2ccc3nnc(-c4ccccc4)n3n2)CC1 ZINC000005051367 132299512 /nfs/dbraw/zinc/29/95/12/132299512.db2.gz OAQUVBXVNCESJR-UHFFFAOYSA-N 0 3 405.506 2.102 50 0 HEAAHN CN(C)C[C@H](CNC(=O)Nc1ccc(S(C)(=O)=O)cc1)[C@H](O)c1ccccc1 ZINC000043417387 521855321 /nfs/dbraw/zinc/85/53/21/521855321.db2.gz BXIPUSUOOMGYIH-QFBILLFUSA-N 0 3 405.520 2.123 50 0 HEAAHN O=C(CCCn1nnc2ccccc2c1=O)NC1CCN(Cc2ccccc2)CC1 ZINC000032101805 526474024 /nfs/dbraw/zinc/47/40/24/526474024.db2.gz FKBRJEHCMXHBOR-UHFFFAOYSA-N 0 3 405.502 2.353 50 0 HEAAHN O=C(NCc1cccnc1N1CCOCC1)NC1CCN(Cc2ccccc2)CC1 ZINC000045032510 526771789 /nfs/dbraw/zinc/77/17/89/526771789.db2.gz GERQSLBEHCLVSB-UHFFFAOYSA-N 0 3 409.534 2.382 50 0 HEAAHN COc1cc(C)c(CN2CC[C@@H](N3CCN(c4ccccn4)CC3)[C@H](O)C2)cc1C ZINC000011838330 536572665 /nfs/dbraw/zinc/57/26/65/536572665.db2.gz WCGTXWSXBQHYRD-FGZHOGPDSA-N 0 3 410.562 2.464 50 0 HEAAHN CCN(C[C@H]1CCCN(CCc2cccc(F)c2)C1)C(=O)c1ccc(=O)n(C)n1 ZINC000011818450 558281525 /nfs/dbraw/zinc/28/15/25/558281525.db2.gz LFWKUXKVMAEXRA-SFHVURJKSA-N 0 3 400.498 2.336 50 0 HEAAHN COc1cc(CNC[C@H](O)c2ccccc2)cc(Br)c1OCC(N)=O ZINC000019872264 558299716 /nfs/dbraw/zinc/29/97/16/558299716.db2.gz IPKAYCLGGSIBOA-HNNXBMFYSA-N 0 3 409.280 2.145 50 0 HEAAHN CCOc1ccc(N2C(=O)C[C@H](NC3CCN(c4nc(C)cc(C)n4)CC3)C2=O)cc1 ZINC000019890259 558302940 /nfs/dbraw/zinc/30/29/40/558302940.db2.gz VERTZIHUFUOUNW-FQEVSTJZSA-N 0 3 423.517 2.383 50 0 HEAAHN CCOC(=O)[C@H]1C(=O)N=C(N2CCN(Cc3ccccc3)CC2)N[C@H]1c1ccccc1 ZINC000019899525 558304716 /nfs/dbraw/zinc/30/47/16/558304716.db2.gz ZRXWWPWDHIPZAG-RTWAWAEBSA-N 0 3 420.513 2.211 50 0 HEAAHN COCCOC1CCN(Cc2ccccc2OC[C@@H](O)CN2CCSCC2)CC1 ZINC000012051285 558314150 /nfs/dbraw/zinc/31/41/50/558314150.db2.gz OVVSTDDCAAUIOP-FQEVSTJZSA-N 0 3 424.607 2.103 50 0 HEAAHN COc1cc2cc(CNC[C@@H](O)CO)c(=O)n(CC3CCCCC3)c2cc1OC ZINC000012211883 558354135 /nfs/dbraw/zinc/35/41/35/558354135.db2.gz VPPBPLHEGZNQJP-GOSISDBHSA-N 0 3 404.507 2.042 50 0 HEAAHN CCOC[C@H](O)CNCc1c(C(=O)N(C)CCc2ccccc2)nc2sccn12 ZINC000012306984 558375563 /nfs/dbraw/zinc/37/55/63/558375563.db2.gz IHLUTILRYKFQSZ-QGZVFWFLSA-N 0 3 416.547 2.198 50 0 HEAAHN CN(C)CCN(C[C@@H]1CCCN(Cc2ccccc2F)C1)C(=O)CN1CCCC1=O ZINC000012443619 558412957 /nfs/dbraw/zinc/41/29/57/558412957.db2.gz NEBKPZKXAJCDBP-LJQANCHMSA-N 0 3 418.557 2.050 50 0 HEAAHN COCCC(=O)N[C@@H](C)c1nnc2n1CCN(Cc1ccc3cccnc3c1)CC2 ZINC000020907031 558421319 /nfs/dbraw/zinc/42/13/19/558421319.db2.gz YNDBGNZQESOGFO-INIZCTEOSA-N 0 3 408.506 2.098 50 0 HEAAHN O=C(NCCc1nnc2n1CCN(Cc1cccc3ccccc31)CC2)[C@H]1CCCO1 ZINC000020909624 558421793 /nfs/dbraw/zinc/42/17/93/558421793.db2.gz KTDVMZBCPDMGAU-OAQYLSRUSA-N 0 3 419.529 2.327 50 0 HEAAHN CCN1C(=O)C(=C(C)NC[C@@H](c2ccc(OC)cc2)N(C)C)C(=O)N(CC)C1=S ZINC000021577267 558442016 /nfs/dbraw/zinc/44/20/16/558442016.db2.gz NJNUKJBVJFLPLS-KRWDZBQOSA-N 0 3 418.563 2.157 50 0 HEAAHN Cc1nc(N2CCOCC2)cc(N2CCN(C(=O)c3cccc(Cl)c3)CC2)n1 ZINC000021793840 558449381 /nfs/dbraw/zinc/44/93/81/558449381.db2.gz CKALSNSDHHHSQA-UHFFFAOYSA-N 0 3 401.898 2.237 50 0 HEAAHN Cc1nc(N2CCCCC2)cc(N2CCN(C(=O)c3ccc4c(c3)OCO4)CC2)n1 ZINC000021793750 558449402 /nfs/dbraw/zinc/44/94/02/558449402.db2.gz PHGQGEXKTFHNHF-UHFFFAOYSA-N 0 3 409.490 2.466 50 0 biogenic HEAAHN O=C(CC[C@H]1CN(Cc2ccccn2)CC[C@H]1N1CCOCC1)N1CCCCC1 ZINC000023541064 558561386 /nfs/dbraw/zinc/56/13/86/558561386.db2.gz SCNXAFMDDWLIIB-RBBKRZOGSA-N 0 3 400.567 2.397 50 0 HEAAHN CC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)NC[C@H](c2ccccc2)N(C)C)C1=O ZINC000014185415 558630415 /nfs/dbraw/zinc/63/04/15/558630415.db2.gz XTZDNEGISLITPW-XXBNENTESA-N 0 3 408.502 2.263 50 0 HEAAHN CN(C)Cc1ccc(CNC(=O)CN(C)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000014201648 558637100 /nfs/dbraw/zinc/63/71/00/558637100.db2.gz ZDNOIPIVTHNWAD-UHFFFAOYSA-N 0 3 409.939 2.339 50 0 HEAAHN CC(C)N(CC(N)=O)CC(=O)Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1 ZINC000014927499 558679564 /nfs/dbraw/zinc/67/95/64/558679564.db2.gz QAVLKXBSJDPKDJ-UHFFFAOYSA-N 0 3 423.561 2.143 50 0 HEAAHN COc1ccc(C(=O)N[C@@H](C)CN2CCCCC2)cc1S(=O)(=O)N1CCCC1 ZINC000027740014 558680455 /nfs/dbraw/zinc/68/04/55/558680455.db2.gz HLGKKXONYPKAGO-INIZCTEOSA-N 0 3 409.552 2.084 50 0 HEAAHN COc1cccc(OCc2cc(C(=O)NCCCN3CCCC[C@@H]3CO)no2)c1 ZINC000014969474 558686900 /nfs/dbraw/zinc/68/69/00/558686900.db2.gz SHQYHFQWGAGWIO-MRXNPFEDSA-N 0 3 403.479 2.229 50 0 HEAAHN O=C(c1ccc(SCCN2CCCCC2)nc1)N1CCN(c2ncccn2)CC1 ZINC000033274477 558763808 /nfs/dbraw/zinc/76/38/08/558763808.db2.gz XENVHBFRWLDNFK-UHFFFAOYSA-N 0 3 412.563 2.412 50 0 HEAAHN O=C(CNC(=O)c1ccc2c(c1)CCC2)NCc1ccccc1CN1CCC(O)CC1 ZINC000072311514 558787556 /nfs/dbraw/zinc/78/75/56/558787556.db2.gz HHKZEEBKCJYTJW-UHFFFAOYSA-N 0 3 421.541 2.178 50 0 HEAAHN COc1ccc2[nH]cc(CCN[C@@H]3CC(=O)N(c4ccc5c(c4)OCCO5)C3=O)c2c1 ZINC000018088231 558831019 /nfs/dbraw/zinc/83/10/19/558831019.db2.gz RYYAKJWQLRWILU-LJQANCHMSA-N 0 3 421.453 2.412 50 0 HEAAHN Cc1cccc2c1ncn(CC(=O)N1CCC(CN3C[C@@H](C)O[C@H](C)C3)CC1)c2=O ZINC000058227335 558913725 /nfs/dbraw/zinc/91/37/25/558913725.db2.gz KYNSSMPCAJMAEK-QZTJIDSGSA-N 0 3 412.534 2.053 50 0 HEAAHN Cc1cc(=O)oc2cc(NC(=O)NCCCN3CCC[C@@H]3C(=O)N(C)C)ccc12 ZINC000058394081 558923955 /nfs/dbraw/zinc/92/39/55/558923955.db2.gz OTJBENCGCFBFSF-QGZVFWFLSA-N 0 3 400.479 2.166 50 0 HEAAHN O=C([C@H]1CC(=O)N(c2ccccc2Br)C1)N1CC[C@H](N2CCCC2)C1 ZINC000060374067 558942031 /nfs/dbraw/zinc/94/20/31/558942031.db2.gz KOWYPXFZLHHXAK-GJZGRUSLSA-N 0 3 406.324 2.499 50 0 HEAAHN Cc1nc(N2CCOCC2)cc(N2CCN(C(=O)c3c(F)cccc3Cl)CC2)n1 ZINC000067613581 558989289 /nfs/dbraw/zinc/98/92/89/558989289.db2.gz CUXXXTYMDCUZNJ-UHFFFAOYSA-N 0 3 419.888 2.377 50 0 HEAAHN CC(C)C[C@@H]([N-]S(=O)(=O)c1cc2ccccc2o1)c1nnc2n1CC[NH2+]CC2 ZINC000067774366 558992878 /nfs/dbraw/zinc/99/28/78/558992878.db2.gz YLZHFZMWXSITPZ-OAHLLOKOSA-N 0 3 403.508 2.236 50 0 HEAAHN COc1cc(OC)cc(C(=O)N[C@H]2CN(C3CCOCC3)C[C@@H]2c2cccnc2)c1 ZINC000097112398 558995560 /nfs/dbraw/zinc/99/55/60/558995560.db2.gz BLBQEIZDXHJQQD-YADHBBJMSA-N 0 3 411.502 2.476 50 0 HEAAHN Cc1ncc(C(=O)N(C[C@@H]2CCCO2)CC2CC[NH+](C3CCCC3)CC2)c(=O)[n-]1 ZINC000095500112 559082108 /nfs/dbraw/zinc/08/21/08/559082108.db2.gz YPPKWJWTRDPCAB-IBGZPJMESA-N 0 3 402.539 2.354 50 0 HEAAHN COC(=O)C1CCN(C[C@H](O)COc2ccc(CN3CC=C(C)CC3)cc2)CC1 ZINC000095528073 559086304 /nfs/dbraw/zinc/08/63/04/559086304.db2.gz JBHDRUBMVSLYEJ-NRFANRHFSA-N 0 3 402.535 2.463 50 0 HEAAHN CC(C)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)NC1CCN(C2CC2)CC1 ZINC000011527219 559087858 /nfs/dbraw/zinc/08/78/58/559087858.db2.gz KSMFTAYHNRGWJX-SFHVURJKSA-N 0 3 413.971 2.386 50 0 HEAAHN CCCCCN1CCN(c2nc3c(c(=O)[nH]c(=O)n3C)n2Cc2ccccc2C)CC1 ZINC000005147905 559252770 /nfs/dbraw/zinc/25/27/70/559252770.db2.gz HQCFMGIHBSRAPU-UHFFFAOYSA-N 0 3 424.549 2.092 50 0 HEAAHN CC1=NN(c2ccc(C)cc2)C(=O)[C@]12Cc1ccccc1N1CCN(CCO)C[C@H]12 ZINC000103899808 560844808 /nfs/dbraw/zinc/84/48/08/560844808.db2.gz BKTKCSYTIZBPQN-LADGPHEKSA-N 0 3 404.514 2.443 50 0 HEAAHN O=C(c1ccccc1)N1C[C@H](CNCc2c[nH]nc2-c2cccnc2)N2CC[C@H]1C2 ZINC000108455612 568418841 /nfs/dbraw/zinc/41/88/41/568418841.db2.gz BNADJYWFYWLBMP-SFTDATJTSA-N 0 3 402.502 2.160 50 0 HEAAHN CCOC(=O)C1C(CN2CCN(CC)CC2)=NC(=O)N[C@H]1c1ccc(Cl)cc1 ZINC000020214206 568594624 /nfs/dbraw/zinc/59/46/24/568594624.db2.gz WQOUTLSRWODWAK-SFHVURJKSA-N 0 3 406.914 2.149 50 0 HEAAHN COC(=O)C1CCN(CCCSc2nnnn2-c2cc(C)ccc2OC)CC1 ZINC000095468088 568624980 /nfs/dbraw/zinc/62/49/80/568624980.db2.gz NUMYMIYVPYOIQO-UHFFFAOYSA-N 0 3 405.524 2.347 50 0 HEAAHN O=C(c1ccccc1)N1CCC[C@H](S(=O)(=O)N2CCC(N3CCCC3)CC2)C1 ZINC000095999981 568680920 /nfs/dbraw/zinc/68/09/20/568680920.db2.gz PUUASLKNKKSILT-FQEVSTJZSA-N 0 3 405.564 2.181 50 0 HEAAHN Cc1ncc(CN2CCC(N3C[C@@H](COc4ccc(F)cc4)OCC3=O)CC2)[nH]1 ZINC000299786287 568875683 /nfs/dbraw/zinc/87/56/83/568875683.db2.gz JGEFZMLRZKOGIS-FQEVSTJZSA-N 0 3 402.470 2.128 50 0 HEAAHN O=C(NC[C@@H]1CN(C2CCN(C3CCC3)CC2)C(=O)CO1)c1ccc(Cl)cc1 ZINC000299797383 568876286 /nfs/dbraw/zinc/87/62/86/568876286.db2.gz ORAYAZCYYNHOMY-LJQANCHMSA-N 0 3 405.926 2.314 50 0 HEAAHN CO[C@]1(C)CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN4CCC5(CC4)OCCO5)[C@H]3C[C@@]21O ZINC000004042130 568935948 /nfs/dbraw/zinc/93/59/48/568935948.db2.gz NWQKPLHTFSPSHT-SLFHQBFESA-N 0 3 423.550 2.103 50 0 biogenic HEAAHN CC[C@@H]1CCCCN1CCNC(=O)CNS(=O)(=O)c1ccc2nc(C)sc2c1 ZINC000004101524 568942787 /nfs/dbraw/zinc/94/27/87/568942787.db2.gz FURGNSVWVPRYDK-OAHLLOKOSA-N 0 3 424.592 2.264 50 0 HEAAHN CCc1ccc(-c2cc3c(=O)n(CC(=O)NC[C@H]4CCCN4CC)nc(C)n3n2)cc1 ZINC000015672116 568962373 /nfs/dbraw/zinc/96/23/73/568962373.db2.gz LEDYDUANPYAHMT-LJQANCHMSA-N 0 3 422.533 2.029 50 0 HEAAHN CCN1CCC(NC(=O)C2CCN(S(=O)(=O)c3ccc(C)cc3C)CC2)CC1 ZINC000012800129 568978597 /nfs/dbraw/zinc/97/85/97/568978597.db2.gz YLBHCWHOQKGXOO-UHFFFAOYSA-N 0 3 407.580 2.305 50 0 HEAAHN COc1ccc([C@H](CNC(=O)Cn2c(=O)cnc3ccccc32)N2CCCC2)cc1 ZINC000008325909 568991637 /nfs/dbraw/zinc/99/16/37/568991637.db2.gz VNBMTZJRVFAOBY-NRFANRHFSA-N 0 3 406.486 2.358 50 0 HEAAHN O=C(CN1CCn2nc(-c3ccc(Cl)cc3)cc2C1=O)NCCN1CCCCC1 ZINC000015775374 568999340 /nfs/dbraw/zinc/99/93/40/568999340.db2.gz FXCMCABFSKFUQE-UHFFFAOYSA-N 0 3 415.925 2.261 50 0 HEAAHN COc1cc2c(cc1OC)[C@@H](C(=O)NCCN(C)C)[C@@H]1c3ccccc3CCN1C2=O ZINC000006729663 569102828 /nfs/dbraw/zinc/10/28/28/569102828.db2.gz RFBAMLHQIXJZME-YADHBBJMSA-N 0 3 423.513 2.218 50 0 HEAAHN CC[C@@H](C)C(=O)N1CCN([C@H](C(=O)NCCN2CCCCC2)C2CCCC2)CC1 ZINC000036255091 569120287 /nfs/dbraw/zinc/12/02/87/569120287.db2.gz YJHXPKRMZUVULB-CTNGQTDRSA-N 0 3 406.615 2.338 50 0 HEAAHN CCCN1CCN(CCNC(=O)c2cn3ccnc(-c4ccc(OC)cc4)c3n2)CC1 ZINC000065274625 569215238 /nfs/dbraw/zinc/21/52/38/569215238.db2.gz BSANAINZQIOJIL-UHFFFAOYSA-N 0 3 422.533 2.162 50 0 HEAAHN COc1ccc(C(=O)N[C@H](CN(C)C)c2ccccc2)cc1S(=O)(=O)NC1CC1 ZINC000007818171 569312782 /nfs/dbraw/zinc/31/27/82/569312782.db2.gz OPPMZYGHMDSNPK-GOSISDBHSA-N 0 3 417.531 2.169 50 0 HEAAHN CCn1ccc(C(=O)N2CCC3(CC2)C[C@H](N2CCN(CC(C)C)CC2)CCO3)n1 ZINC000581819771 569320771 /nfs/dbraw/zinc/32/07/71/569320771.db2.gz JXPHDDGIOPPHEE-HXUWFJFHSA-N 0 3 417.598 2.330 50 0 HEAAHN CN1C(=O)c2ccc(NC(=O)CN(CCN3CCCC3)c3ccccc3)cc2C1=O ZINC000079016402 569423991 /nfs/dbraw/zinc/42/39/91/569423991.db2.gz LEQPADOCXOYZLE-UHFFFAOYSA-N 0 3 406.486 2.453 50 0 HEAAHN O=C(CCn1c(=O)[nH]c(=O)c2ccccc21)NCc1ccccc1CN1CCCCC1 ZINC000008719171 571106452 /nfs/dbraw/zinc/10/64/52/571106452.db2.gz HNAPKSBXROQAJH-UHFFFAOYSA-N 0 3 420.513 2.382 50 0 HEAAHN O=C(NC1CCN(Cc2ccccc2)CC1)c1nc(N2CCOCC2)ncc1Cl ZINC000040141826 571193057 /nfs/dbraw/zinc/19/30/57/571193057.db2.gz MDUJVBGMVWLHFZ-UHFFFAOYSA-N 0 3 415.925 2.361 50 0 HEAAHN CCN1CCN(CCCNC(=O)[C@@H]2CCCCC(=O)N2Cc2ccccc2)CC1 ZINC000581785966 1078765360 /nfs/dbraw/zinc/76/53/60/1078765360.db2.gz SRYIJAUNSYTTEG-NRFANRHFSA-N 0 3 400.567 2.102 50 0 HEAAHN CN(C)CCNc1nnnc2c1sc1nc(N3CCOCC3)c3c(c12)CCCC3 ZINC000002293225 132251765 /nfs/dbraw/zinc/25/17/65/132251765.db2.gz XVSGXTUWMQYLOS-UHFFFAOYSA-N 0 3 413.551 2.323 50 0 HEAAHN CCN1CCC2(CC1)OC(=O)C(C)=C2C(=O)N1CCN(c2cccc(OC)c2)CC1 ZINC000015679421 132462147 /nfs/dbraw/zinc/46/21/47/132462147.db2.gz CSIOIWKEEGZKPJ-UHFFFAOYSA-N 0 3 413.518 2.072 50 0 biogenic HEAAHN CCN(CC)[C@@H](CNC(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C1CC1)c1ccccc1 ZINC000032908327 520836864 /nfs/dbraw/zinc/83/68/64/520836864.db2.gz MLUHGXDCQJHCSF-IBGZPJMESA-N 0 3 421.501 2.233 50 0 HEAAHN NC(=O)[C@@H]1CC(C(=O)NC[C@@H](c2ccccc2)N2CCCC2)=NN1c1ccccc1 ZINC000032772375 526958799 /nfs/dbraw/zinc/95/87/99/526958799.db2.gz ONLRHEJXXVVRJQ-SFTDATJTSA-N 0 3 405.502 2.060 50 0 HEAAHN O=C(NCCN1CCCCC1)[C@H]1CC(=O)N(Cc2cccc(Br)c2)C1 ZINC000034916553 557482589 /nfs/dbraw/zinc/48/25/89/557482589.db2.gz VOCHDPOQZKOGBF-INIZCTEOSA-N 0 3 408.340 2.400 50 0 HEAAHN Cc1cc(Cl)cc(Br)c1OC[C@H](O)CN1CCC(C(N)=O)CC1 ZINC000004324458 557541690 /nfs/dbraw/zinc/54/16/90/557541690.db2.gz CWEUAOIUQXXEJP-CYBMUJFWSA-N 0 3 405.720 2.348 50 0 HEAAHN CCOC(=O)N1CCN(C(=O)C2CCN(Cc3ccc(OC)c(OC)c3)CC2)CC1 ZINC000004725540 557587223 /nfs/dbraw/zinc/58/72/23/557587223.db2.gz HMQOPIOEYACOEV-UHFFFAOYSA-N 0 3 419.522 2.217 50 0 HEAAHN CCOc1cc(CNCCSc2nnnn2C)cc(Br)c1OC ZINC000008253604 557778088 /nfs/dbraw/zinc/77/80/88/557778088.db2.gz QAXOAFKGWWFDQB-UHFFFAOYSA-N 0 3 402.318 2.262 50 0 HEAAHN CN(C)CCNC(=O)c1ccc(OC2CCN(C(=O)[C@H]3CCOC3)CC2)c(Cl)c1 ZINC000011817338 558280727 /nfs/dbraw/zinc/28/07/27/558280727.db2.gz OZHMKVXKKBCATO-INIZCTEOSA-N 0 3 423.941 2.038 50 0 HEAAHN Cc1nc(CNCc2ccc(OC[C@H](O)CN3CCN(C)CC3)cc2)sc1C ZINC000020514006 558382630 /nfs/dbraw/zinc/38/26/30/558382630.db2.gz UNILEHFMLRZBTI-LJQANCHMSA-N 0 3 404.580 2.037 50 0 HEAAHN COCc1ccc(C(=O)NCc2nnc3n2CCN(Cc2ccc(C)cc2)CC3)o1 ZINC000020996117 558426805 /nfs/dbraw/zinc/42/68/05/558426805.db2.gz RMBUPKMUALOOEU-UHFFFAOYSA-N 0 3 409.490 2.314 50 0 HEAAHN CCc1ccc(NC(=O)N2CCN(c3cc(N4CCN(C)CC4)nc(C)n3)CC2)cc1 ZINC000021795730 558449618 /nfs/dbraw/zinc/44/96/18/558449618.db2.gz FUDYTPCEJVJFQT-UHFFFAOYSA-N 0 3 423.565 2.453 50 0 HEAAHN NC(=O)Cn1cc(CN2CCN(Cc3ccccc3)[C@@H](CCO)C2)c2ccccc21 ZINC000022914682 558521075 /nfs/dbraw/zinc/52/10/75/558521075.db2.gz GLPBZQAHBJGMPA-NRFANRHFSA-N 0 3 406.530 2.195 50 0 HEAAHN O=C(CN1CCCN(Cc2ccccc2)CC1)NC(=O)Nc1ccc2c(c1)OCCO2 ZINC000022930701 558524235 /nfs/dbraw/zinc/52/42/35/558524235.db2.gz RYQJAYTVMXOMKZ-UHFFFAOYSA-N 0 3 424.501 2.314 50 0 HEAAHN CN(C)CCN(C[C@@H]1CCCN(Cc2ccccc2F)C1)C(=O)c1ccnn1C ZINC000014960811 558683802 /nfs/dbraw/zinc/68/38/02/558683802.db2.gz XDLKBFFFGCMXJB-GOSISDBHSA-N 0 3 401.530 2.475 50 0 HEAAHN COc1cccc(OCc2cc(C(=O)NCCCN3CCCC[C@H]3CO)no2)c1 ZINC000014969478 558686811 /nfs/dbraw/zinc/68/68/11/558686811.db2.gz SHQYHFQWGAGWIO-INIZCTEOSA-N 0 3 403.479 2.229 50 0 HEAAHN CN(C)CCN(C[C@@H]1CCCN(Cc2ccccc2F)C1)C(=O)c1ccc[n+]([O-])c1 ZINC000014979065 558690461 /nfs/dbraw/zinc/69/04/61/558690461.db2.gz ZKBSXAUIHZVENA-LJQANCHMSA-N 0 3 414.525 2.375 50 0 HEAAHN COc1cccc(-n2c(CNC(=O)c3ccccn3)nnc2SCCN(C)C)c1 ZINC000015009286 558699732 /nfs/dbraw/zinc/69/97/32/558699732.db2.gz ICWFYUGHTQVAFN-UHFFFAOYSA-N 0 3 412.519 2.255 50 0 HEAAHN O=C(COCc1nnc(C(=O)Nc2cccc(F)c2)s1)NCCN1CCCCC1 ZINC000032987717 558807658 /nfs/dbraw/zinc/80/76/58/558807658.db2.gz WYSWXWDQERTMNS-UHFFFAOYSA-N 0 3 421.498 2.048 50 0 HEAAHN C[C@@H]1CCCCN1CCN(CC(=O)N1CCNCC1)C(=O)c1ccc(Cl)cc1 ZINC000033032733 558857073 /nfs/dbraw/zinc/85/70/73/558857073.db2.gz AXPBGYJHESRKPZ-QGZVFWFLSA-N 0 3 406.958 2.088 50 0 HEAAHN O=C([C@H]1CCCN(C2CCN(S(=O)(=O)c3ccccc3)CC2)C1)N1CCCC1 ZINC000071751808 558908978 /nfs/dbraw/zinc/90/89/78/558908978.db2.gz HYTQXQRRBBQALM-SFHVURJKSA-N 0 3 405.564 2.174 50 0 HEAAHN O=C(/C=C/c1ccco1)N1CC[C@@H](N2CCN(CCc3ccccc3)CC2)[C@H](O)C1 ZINC000019535279 558913501 /nfs/dbraw/zinc/91/35/01/558913501.db2.gz IRASCFKJVFVWNK-VSJRMHGZSA-N 0 3 409.530 2.115 50 0 HEAAHN COc1ccc(C2=NN(CC(=O)NCCN3[C@H](C)CCC[C@H]3C)C(=O)CC2)cc1 ZINC000004712523 558917829 /nfs/dbraw/zinc/91/78/29/558917829.db2.gz ZCXVXWVTJZRFLG-IAGOWNOFSA-N 0 3 400.523 2.401 50 0 HEAAHN Cc1nc(N2CCN(C)CC2)cc(N2CCN(C(=O)Nc3ccccc3F)CC2)n1 ZINC000072139198 558928986 /nfs/dbraw/zinc/92/89/86/558928986.db2.gz OJHSMJFOHAWGTG-UHFFFAOYSA-N 0 3 413.501 2.030 50 0 HEAAHN CC[C@H](CN(C)Cc1ccccc1)NC(=O)Cn1c2ccccc2n(CC)c(=O)c1=O ZINC000033068505 558962949 /nfs/dbraw/zinc/96/29/49/558962949.db2.gz NMDJPLANRMBDNS-LJQANCHMSA-N 0 3 422.529 2.210 50 0 HEAAHN CN(c1ccc(F)cc1)S(=O)(=O)c1cccc(C(=O)NC2CCN(C)CC2)c1 ZINC000067339012 558986284 /nfs/dbraw/zinc/98/62/84/558986284.db2.gz OCFWWXZTIWUFBZ-UHFFFAOYSA-N 0 3 405.495 2.475 50 0 HEAAHN CN(C)CCN1CC2(CCN(C(=O)c3ccc(N4CCCC4)cc3)CC2)OC1=O ZINC000077428797 559004975 /nfs/dbraw/zinc/00/49/75/559004975.db2.gz ZTMPPIQWTNTDEM-UHFFFAOYSA-N 0 3 400.523 2.275 50 0 HEAAHN Cc1c2ccc(C)cc2oc1C(=O)N1C[C@H](CO)[C@H](CN2CCC(CO)CC2)C1 ZINC000095363643 559080128 /nfs/dbraw/zinc/08/01/28/559080128.db2.gz WQXSYRJBALLDII-RTBURBONSA-N 0 3 400.519 2.434 50 0 HEAAHN COc1ccc(CN2CCCCC23CC3)c(OC[C@H](O)CN2CCN(C)CC2)c1 ZINC000095500808 559082351 /nfs/dbraw/zinc/08/23/51/559082351.db2.gz VYRZMWYIGQJRCB-HXUWFJFHSA-N 0 3 403.567 2.201 50 0 HEAAHN COc1ccc(CN(C)Cc2cnn(C)c2C)c(OC[C@@H](O)CN2CCCC2)c1 ZINC000095520484 559085095 /nfs/dbraw/zinc/08/50/95/559085095.db2.gz AFXJIAPZOVZXDE-FQEVSTJZSA-N 0 3 402.539 2.205 50 0 HEAAHN CCN(CC)CCNC(=O)C(=O)Nc1c2c(nn1-c1ccc(OC)cc1)CSC2 ZINC000004941667 559213712 /nfs/dbraw/zinc/21/37/12/559213712.db2.gz DESIMJXJNOCCPC-UHFFFAOYSA-N 0 3 417.535 2.024 50 0 HEAAHN O=C(Nc1cccc(F)c1)C1CC(=O)Nc2c1c(=O)[nH]c(=O)n2Cc1ccccc1 ZINC000061720410 560536549 /nfs/dbraw/zinc/53/65/49/560536549.db2.gz PTOFUNANBMCXAV-HNNXBMFYSA-N 0 3 408.389 2.438 50 0 HEAAHN CCN(CC)CCn1c(=O)nc(SCC(=O)Nc2cc(C)on2)c2c1CCCC2 ZINC000005254373 560552002 /nfs/dbraw/zinc/55/20/02/560552002.db2.gz SXXGUAAGEOQPFO-UHFFFAOYSA-N 0 3 419.551 2.491 50 0 HEAAHN Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000062581724 560632094 /nfs/dbraw/zinc/63/20/94/560632094.db2.gz DIMZZKBXXKBDTL-MSOLQXFVSA-N 0 3 407.518 2.411 50 0 HEAAHN CC1CCC2(CC1)NC(=O)N(CC(=O)NC1CCN(Cc3ccccc3)CC1)C2=O ZINC000105183649 560868854 /nfs/dbraw/zinc/86/88/54/560868854.db2.gz FQALTMVAQSOUSZ-UHFFFAOYSA-N 0 3 412.534 2.268 50 0 HEAAHN C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)CN(C)C(=O)c1ccc(Br)s1 ZINC000107053179 560895010 /nfs/dbraw/zinc/89/50/10/560895010.db2.gz ZQNMPBDFERNXIM-VXGBXAGGSA-N 0 3 402.358 2.381 50 0 HEAAHN O=C(Nc1ccccc1F)C1CC(=O)Nc2c1c(=O)[nH]c(=O)n2Cc1ccccc1 ZINC000049551869 568452086 /nfs/dbraw/zinc/45/20/86/568452086.db2.gz CHIACXMMTZZTFB-ZDUSSCGKSA-N 0 3 408.389 2.438 50 0 HEAAHN CCN1CCN(CCNC(=O)CSc2nccnc2Sc2ccccc2)CC1 ZINC000033288911 568513613 /nfs/dbraw/zinc/51/36/13/568513613.db2.gz ZJFOBBPWKMIXPS-UHFFFAOYSA-N 0 3 417.604 2.474 50 0 HEAAHN CCOC(=O)C1=C(CN2CCN([C@H](C)CC)CC2)NC(=O)N[C@H]1c1ccc(F)cc1 ZINC000020214270 568594780 /nfs/dbraw/zinc/59/47/80/568594780.db2.gz KNRVBYUXFRNVLV-QRWLVFNGSA-N 0 3 418.513 2.413 50 0 HEAAHN CC(C)NC(=O)CN(C)C1CCN(C(=O)c2cccc(NC(=O)[C@@H]3C[C@@H]3C)c2)CC1 ZINC000095432326 568609349 /nfs/dbraw/zinc/60/93/49/568609349.db2.gz WAXKNGLMEBKUAP-OXJNMPFZSA-N 0 3 414.550 2.342 50 0 HEAAHN CC(C)NC(=O)CN(C)C1CCN(C(=O)c2cccc(NC(=O)[C@H]3C[C@@H]3C)c2)CC1 ZINC000095432324 568609360 /nfs/dbraw/zinc/60/93/60/568609360.db2.gz WAXKNGLMEBKUAP-JXFKEZNVSA-N 0 3 414.550 2.342 50 0 HEAAHN CCN1CCN(CCCNC(=O)c2ccc3c(c2)NC(=O)[C@@H](CC(C)C)N3)CC1 ZINC000020682694 568640114 /nfs/dbraw/zinc/64/01/14/568640114.db2.gz DVHDGKCNXRFNDV-HXUWFJFHSA-N 0 3 401.555 2.223 50 0 HEAAHN O=C(CC[C@@H]1NC(=O)N(Cc2ccco2)C1=O)NC1CCN(Cc2ccccc2)CC1 ZINC000096230741 568706888 /nfs/dbraw/zinc/70/68/88/568706888.db2.gz FGYVIIOAZBWZLA-FQEVSTJZSA-N 0 3 424.501 2.261 50 0 HEAAHN Cc1ccc(-n2c3ncccc3n(CC(=O)NCCN3CCCC[C@H]3C)c2=O)cc1 ZINC000096385611 568741957 /nfs/dbraw/zinc/74/19/57/568741957.db2.gz IBHWPCRIIMLYHA-GOSISDBHSA-N 0 3 407.518 2.486 50 0 HEAAHN Cc1cnc2c(cccc2S(=O)(=O)N2CCN(C(=O)C3(N)CCCCC3)CC2)c1 ZINC000096999965 568766117 /nfs/dbraw/zinc/76/61/17/568766117.db2.gz TXJKHXFALZUKNU-UHFFFAOYSA-N 0 3 416.547 2.038 50 0 HEAAHN O=C(NC[C@H]1CN(C2CCN(C3CCC3)CC2)C(=O)CO1)c1cccc(Cl)c1 ZINC000299771257 568874350 /nfs/dbraw/zinc/87/43/50/568874350.db2.gz UYTUMHFKDWANKB-IBGZPJMESA-N 0 3 405.926 2.314 50 0 HEAAHN O=C1C[C@H](CN2CCc3nnc(Cc4cccnc4)n3CC2)CN1c1ccccc1 ZINC000299772814 568874437 /nfs/dbraw/zinc/87/44/37/568874437.db2.gz AFOCWNSHVQOZKN-LJQANCHMSA-N 0 3 402.502 2.175 50 0 HEAAHN O=C(NC[C@@H]1CN(C2CCN(C3CCC3)CC2)C(=O)CO1)c1ccccc1Cl ZINC000299786831 568875534 /nfs/dbraw/zinc/87/55/34/568875534.db2.gz NXPFSKZYBRQFDY-QGZVFWFLSA-N 0 3 405.926 2.314 50 0 HEAAHN COc1cccc(SCC(=O)N[C@@H]2C3CN4CC2(c2ccccc2)CN(C3)CC4)c1 ZINC000670443807 568906854 /nfs/dbraw/zinc/90/68/54/568906854.db2.gz YMNPFQPAYWRELT-WHKWTHTOSA-N 0 3 423.582 2.471 50 0 HEAAHN Cc1nn(-c2ccccc2)c2c1N(CCCC(=O)NCCN(C)C)C(=O)CS2 ZINC000015735097 568984402 /nfs/dbraw/zinc/98/44/02/568984402.db2.gz WHYBTLZGJMJINW-UHFFFAOYSA-N 0 3 401.536 2.077 50 0 HEAAHN Cc1ccc(S(=O)(=O)NC2CC2)cc1C(=O)NCc1ccccc1CN(C)C ZINC000012917926 569022629 /nfs/dbraw/zinc/02/26/29/569022629.db2.gz HQROQANIKVSLKT-UHFFFAOYSA-N 0 3 401.532 2.427 50 0 HEAAHN Cc1ccc(C)n1-c1nnc(N2CCC[C@@H](C(=O)NCCN3CCCC3)C2)s1 ZINC000006806203 569130931 /nfs/dbraw/zinc/13/09/31/569130931.db2.gz MKVDJBFTCJQLNB-QGZVFWFLSA-N 0 3 402.568 2.374 50 0 HEAAHN O=C(NCCN1CCCCCC1)C1CCN(c2cnc(N3CCCC3)nc2)CC1 ZINC000065166394 569188791 /nfs/dbraw/zinc/18/87/91/569188791.db2.gz VLXVCFWQQQLUIS-UHFFFAOYSA-N 0 3 400.571 2.285 50 0 HEAAHN CCOC(=O)N1CCN(C(=O)c2cccnc2N2CCN[C@@H](c3ccccc3)C2)CC1 ZINC000065255747 569207908 /nfs/dbraw/zinc/20/79/08/569207908.db2.gz DSWYDQNWRUOSOZ-HXUWFJFHSA-N 0 3 423.517 2.147 50 0 HEAAHN C[C@@H]1CCCN1C(=O)CCN1CCCC[C@@H]1CNC(=O)CCNC(=O)OC(C)(C)C ZINC000170599768 569242781 /nfs/dbraw/zinc/24/27/81/569242781.db2.gz YZNYCCKMSMJLHZ-QZTJIDSGSA-N 0 3 424.586 2.273 50 0 HEAAHN O=C(C[C@H]1NC(=O)N(c2ccccc2)C1=O)NC1CCN(Cc2ccccc2)CC1 ZINC000252496903 569290874 /nfs/dbraw/zinc/29/08/74/569290874.db2.gz PULZXIRAVWIPNH-HXUWFJFHSA-N 0 3 406.486 2.487 50 0 HEAAHN CC(C)CN1CCN([C@@H]2CCOC3(CCN(C(=O)c4cccn4C)CC3)C2)CC1 ZINC000581819879 569320863 /nfs/dbraw/zinc/32/08/63/569320863.db2.gz PQTQVVYAEXTNIP-HXUWFJFHSA-N 0 3 402.583 2.453 50 0 HEAAHN CCCS(=O)(=O)N1CCC2(CC1)C[C@@H](N1CCN(CC(C)C)CC1)CCO2 ZINC000581819844 569320884 /nfs/dbraw/zinc/32/08/84/569320884.db2.gz OMCDHLWNJPGAMH-IBGZPJMESA-N 0 3 401.617 2.013 50 0 HEAAHN CCN1CCC[C@@H]1CNC(=O)[C@H]1CC[C@H](CNS(=O)(=O)c2ccccc2)CC1 ZINC000253388024 569364973 /nfs/dbraw/zinc/36/49/73/569364973.db2.gz WDKZIRCIAYUKBA-GUDVDZBRSA-N 0 3 407.580 2.372 50 0 HEAAHN COC(=O)C1C(CN2CCN(C3CCCCC3)CC2)=NC(=O)N[C@@H]1c1ccccc1 ZINC000067286646 571064391 /nfs/dbraw/zinc/06/43/91/571064391.db2.gz MNYMROQJRQLXOL-OAQYLSRUSA-N 0 3 412.534 2.418 50 0 HEAAHN COc1cc(=O)n2c(c1C(=O)N[C@@H](c1nc3cc(C)ccc3[nH]1)C(C)C)CCNCC2 ZINC000670472606 571096439 /nfs/dbraw/zinc/09/64/39/571096439.db2.gz QQWGSBJYIVPYAT-OAQYLSRUSA-N 0 3 423.517 2.314 50 0 HEAAHN COc1cc(=O)n2c(c1C(=O)N[C@@H](c1nc3ccc(C)cc3[nH]1)C(C)C)CCNCC2 ZINC000670472606 571096443 /nfs/dbraw/zinc/09/64/43/571096443.db2.gz QQWGSBJYIVPYAT-OAQYLSRUSA-N 0 3 423.517 2.314 50 0 HEAAHN Cc1cc(=O)[nH]c(CNC(=O)C2(N(C)Cc3ccccc3)Cc3ccccc3C2)n1 ZINC000039544151 571132828 /nfs/dbraw/zinc/13/28/28/571132828.db2.gz ZLWSWSXYUFRKCV-UHFFFAOYSA-N 0 3 402.498 2.364 50 0 HEAAHN CN1CCCN(c2ccc(CNC(=O)Nc3ccccc3-n3cncn3)cn2)CC1 ZINC000069592418 571232314 /nfs/dbraw/zinc/23/23/14/571232314.db2.gz JNUZTRVGADQIOD-UHFFFAOYSA-N 0 3 406.494 2.126 50 0 HEAAHN CN1CCN(CCCNC(=O)[C@@H]2CCCN(c3nccc4sccc43)C2)CC1 ZINC000033174358 571315872 /nfs/dbraw/zinc/31/58/72/571315872.db2.gz LNDFXZBWRPZMPS-QGZVFWFLSA-N 0 3 401.580 2.266 50 0 HEAAHN Cc1ccc(NC(=O)N2CCC3(C[C@@H](C(=O)N4CCOCC4)N(C)C3)CC2)cc1C ZINC000581802807 1078772488 /nfs/dbraw/zinc/77/24/88/1078772488.db2.gz PEEDLCZWWPGYFK-FQEVSTJZSA-N 0 3 414.550 2.480 50 0 HEAAHN O=C1N(Cc2cccc(F)c2F)CCC[C@@]1(O)CN1CCN(CC2CCC2)CC1 ZINC000020536710 527037677 /nfs/dbraw/zinc/03/76/77/527037677.db2.gz ZISYHVVTJHORAG-JOCHJYFZSA-N 0 3 407.505 2.236 50 0 HEAAHN CCOC(=O)[C@@H]1C(=O)N=C(N2CCN(c3ccccc3)CC2)N[C@H]1c1ccccc1 ZINC000002227471 535502279 /nfs/dbraw/zinc/50/22/79/535502279.db2.gz GJZQWFUJWDYITH-PMACEKPBSA-N 0 3 406.486 2.215 50 0 HEAAHN N[C@@H](CC(=O)N1CCn2c(nnc2C(F)(F)F)C1)Cc1cc(F)c(F)cc1F ZINC000001489478 557270080 /nfs/dbraw/zinc/27/00/80/557270080.db2.gz MFFMDFFZMYYVKS-SECBINFHSA-N 0 3 407.318 2.017 50 0 fda HEAAHN O=S(=O)(c1cccc2c(I)cccc21)N1CCCNCC1 ZINC000002597113 557359126 /nfs/dbraw/zinc/35/91/26/557359126.db2.gz GEHJIACZUFWBTK-UHFFFAOYSA-N 0 3 416.284 2.428 50 0 in-vitro HEAAHN O=C(NCCN1CCCC1)c1cc2n(n1)CCN(Cc1c(F)cccc1Cl)C2=O ZINC000034811296 557464246 /nfs/dbraw/zinc/46/42/46/557464246.db2.gz UGTXRBGYGAIHDG-UHFFFAOYSA-N 0 3 419.888 2.157 50 0 HEAAHN COC[C@@H]1CCCN(Cc2c(C(=O)N3CCCN(C)CC3)nc3sccn23)C1 ZINC000019939733 558313726 /nfs/dbraw/zinc/31/37/26/558313726.db2.gz PQNCMUFFKNJQRC-MRXNPFEDSA-N 0 3 405.568 2.032 50 0 HEAAHN O=C(NCc1nnc2n1CCN(C1CCSCC1)CC2)c1c(F)cccc1F ZINC000012079402 558320604 /nfs/dbraw/zinc/32/06/04/558320604.db2.gz LUEAKCXYOFQPQN-UHFFFAOYSA-N 0 3 407.490 2.240 50 0 HEAAHN O=C(NCCc1ccccc1)[C@@H]1C[C@H](n2cnnn2)CN1C1C2CC3CC(C2)CC1C3 ZINC000012280071 558365196 /nfs/dbraw/zinc/36/51/96/558365196.db2.gz OWVODNROVKCMMJ-DVXIDMMASA-N 0 3 420.561 2.472 50 0 HEAAHN COc1ccccc1CCN1CCC[C@H](CN(C)C(=O)CCc2ccc(=O)[nH]n2)C1 ZINC000012299996 558370108 /nfs/dbraw/zinc/37/01/08/558370108.db2.gz AGXBQAOKQVMAQG-GOSISDBHSA-N 0 3 412.534 2.124 50 0 HEAAHN CN1CCN(Cc2c(C(=O)N3CCN(C4CCCCC4)CC3)nc3ccccn32)CC1 ZINC000020779025 558412390 /nfs/dbraw/zinc/41/23/90/558412390.db2.gz UTEUTSSUGASUMD-UHFFFAOYSA-N 0 3 424.593 2.172 50 0 HEAAHN CCN1CCN(CCCNC(=O)c2cnn(-c3ccc(Br)cc3)c2)CC1 ZINC000071999706 558416819 /nfs/dbraw/zinc/41/68/19/558416819.db2.gz SALIQFNDAWBGNM-UHFFFAOYSA-N 0 3 420.355 2.392 50 0 HEAAHN CC(C)[C@@H](NS(C)(=O)=O)c1nnc2n1CCN(CCCc1ccccc1)CC2 ZINC000012572814 558429778 /nfs/dbraw/zinc/42/97/78/558429778.db2.gz HCXRZJBFFWPHPL-LJQANCHMSA-N 0 3 405.568 2.015 50 0 HEAAHN Cc1nc(N2CCN(C)CC2)cc(N2CCN(C(=O)Nc3ccc(F)cc3)CC2)n1 ZINC000021795704 558449451 /nfs/dbraw/zinc/44/94/51/558449451.db2.gz GKBFYIDQGGHPFK-UHFFFAOYSA-N 0 3 413.501 2.030 50 0 HEAAHN COc1cc(CNCc2ccccc2C)ccc1OC[C@@H](O)CN1CCOCC1 ZINC000015070154 558712376 /nfs/dbraw/zinc/71/23/76/558712376.db2.gz WRFCCCNVMCRBJP-NRFANRHFSA-N 0 3 400.519 2.365 50 0 HEAAHN COc1ccc(C(=O)NCCN(C)C)cc1OC1CCN(Cc2ccon2)CC1 ZINC000015079791 558718407 /nfs/dbraw/zinc/71/84/07/558718407.db2.gz WHPLKWAEDVCVOB-UHFFFAOYSA-N 0 3 402.495 2.018 50 0 HEAAHN Cc1ccc(NC(=O)c2nnc(COCC(=O)NCCN3CCCCC3)s2)cc1 ZINC000032987454 558807315 /nfs/dbraw/zinc/80/73/15/558807315.db2.gz KIBQQJLDXXDYIB-UHFFFAOYSA-N 0 3 417.535 2.218 50 0 HEAAHN O=C(CSCc1nnc(C(=O)Nc2ccccc2)s1)NCCN1CCCC1 ZINC000032987226 558808672 /nfs/dbraw/zinc/80/86/72/558808672.db2.gz PDRNYMXRBHVTMO-UHFFFAOYSA-N 0 3 405.549 2.236 50 0 HEAAHN Cc1c(C(=O)NCCN2CCCC[C@@H]2C)sc2ncnc(N3CCN(C)CC3)c12 ZINC000033048284 558885184 /nfs/dbraw/zinc/88/51/84/558885184.db2.gz LIJQWQYFPJDSEN-HNNXBMFYSA-N 0 3 416.595 2.356 50 0 HEAAHN CCCN1CCN(CCCNC(=O)c2ccccc2-c2ocnc2C(=O)OC)CC1 ZINC000033131202 558887683 /nfs/dbraw/zinc/88/76/83/558887683.db2.gz KGCRAYJDVODHRD-UHFFFAOYSA-N 0 3 414.506 2.276 50 0 HEAAHN Cc1cccc2c1ncn(CC(=O)N1CCC(CN3C[C@H](C)O[C@@H](C)C3)CC1)c2=O ZINC000058227336 558913643 /nfs/dbraw/zinc/91/36/43/558913643.db2.gz KYNSSMPCAJMAEK-ROUUACIJSA-N 0 3 412.534 2.053 50 0 HEAAHN Cc1ccc(S(=O)(=O)N2CCC(CC(=O)NCCN3CCCCC3)CC2)cc1 ZINC000033254548 558918390 /nfs/dbraw/zinc/91/83/90/558918390.db2.gz KYGMDBBGJOBCCL-UHFFFAOYSA-N 0 3 407.580 2.388 50 0 HEAAHN CN1CCCN(c2ccc(CNC(=O)Cc3ccc(-n4cccn4)cc3)cn2)CC1 ZINC000058314623 558919264 /nfs/dbraw/zinc/91/92/64/558919264.db2.gz ZIOAVRYWWYPNFB-UHFFFAOYSA-N 0 3 404.518 2.268 50 0 HEAAHN CN(C)CCN(C)C(=O)C[C@@H]1C(=O)NCCN1Cc1ccc(-c2ccccc2)cc1 ZINC000072125700 558928296 /nfs/dbraw/zinc/92/82/96/558928296.db2.gz GQZMZDHDPHXSBX-JOCHJYFZSA-N 0 3 408.546 2.064 50 0 HEAAHN CC[C@H](C(=O)NC1CCN(C)CC1)N(c1ccc(C)c(Cl)c1)S(C)(=O)=O ZINC000065362211 558972795 /nfs/dbraw/zinc/97/27/95/558972795.db2.gz PIPRCDYMTGKBGL-QGZVFWFLSA-N 0 3 401.960 2.403 50 0 HEAAHN CC(C)CC(=O)N1CCN([C@H](C(=O)NCCN2CCCCC2)C2CCCC2)CC1 ZINC000036254995 559013055 /nfs/dbraw/zinc/01/30/55/559013055.db2.gz QAHBUPCGQWZPRQ-QFIPXVFZSA-N 0 3 406.615 2.338 50 0 HEAAHN CCC(=O)N1CCCC[C@@H](NC(=O)CCN2CCN(c3cccc(C)c3)CC2)C1 ZINC000082115974 559039273 /nfs/dbraw/zinc/03/92/73/559039273.db2.gz ONWWLLASCFJNRY-HXUWFJFHSA-N 0 3 400.567 2.414 50 0 HEAAHN O=C(CN1C(=O)NC2(CCN(Cc3ccccc3)CC2)C1=O)Nc1ccc(F)cc1 ZINC000008769212 559064727 /nfs/dbraw/zinc/06/47/27/559064727.db2.gz OXKBAZJXSRCCQK-UHFFFAOYSA-N 0 3 410.449 2.351 50 0 HEAAHN O=C(CN1C(=O)NC2(CCN(Cc3ccccc3)CC2)C1=O)Nc1cccc(F)c1 ZINC000008769209 559064736 /nfs/dbraw/zinc/06/47/36/559064736.db2.gz KPGHLPWBYANFRI-UHFFFAOYSA-N 0 3 410.449 2.351 50 0 HEAAHN COC[C@@]12CC[C@@H](N3CCOCC3)C[C@H]1CCN(c1ncc(C)c(N(C)C)n1)C2 ZINC000095363856 559080028 /nfs/dbraw/zinc/08/00/28/559080028.db2.gz VTUCLNHNLPUFTI-KNKQGSTJSA-N 0 3 403.571 2.195 50 0 HEAAHN Cc1noc(C)c1CN(C)Cc1cccc(OC[C@H](O)CN2CCC(O)CC2)c1 ZINC000095501744 559082426 /nfs/dbraw/zinc/08/24/26/559082426.db2.gz LTBGUUZKZUXHLH-HXUWFJFHSA-N 0 3 403.523 2.120 50 0 HEAAHN COc1ccc(CN(C)Cc2cc(C)nn2C)c(OC[C@H](O)CN2CCCC2)c1 ZINC000095521364 559085227 /nfs/dbraw/zinc/08/52/27/559085227.db2.gz OJOPENDSCYELMU-HXUWFJFHSA-N 0 3 402.539 2.205 50 0 HEAAHN COc1cc(C(=O)N2[C@@H]3CC[C@H]2CNCC3)ccc1OC1CCN(C(C)=O)CC1 ZINC000095526078 559086107 /nfs/dbraw/zinc/08/61/07/559086107.db2.gz DYODZEROSIZUGG-MSOLQXFVSA-N 0 3 401.507 2.051 50 0 HEAAHN COc1ccc(CCNCC(=O)Nc2ccc(C)c(S(=O)(=O)N(C)C)c2)cc1 ZINC000005603853 560629758 /nfs/dbraw/zinc/62/97/58/560629758.db2.gz FLVQCWXNMLAIEI-UHFFFAOYSA-N 0 3 405.520 2.025 50 0 HEAAHN CC1CCN(c2ccc(=O)n(CC(=O)NC3CCN(Cc4ccccc4)CC3)n2)CC1 ZINC000049545574 568451356 /nfs/dbraw/zinc/45/13/56/568451356.db2.gz ARYQNPCJXQTGGF-UHFFFAOYSA-N 0 3 423.561 2.260 50 0 HEAAHN COc1ccccc1NC(=O)C1CC(=O)Nc2c1c(=O)[nH]c(=O)n2CCC(C)C ZINC000049551148 568452082 /nfs/dbraw/zinc/45/20/82/568452082.db2.gz OONUKKZMRXKWFR-GFCCVEGCSA-N 0 3 400.435 2.305 50 0 HEAAHN NC(=O)[C@@H]1CCCN(Cc2ccccc2NC(=O)[C@H]2CC(=O)N(C3CCCC3)C2)C1 ZINC000230130998 568850504 /nfs/dbraw/zinc/85/05/04/568850504.db2.gz SRIQUYHEPJEBJS-MSOLQXFVSA-N 0 3 412.534 2.114 50 0 HEAAHN COCCN1C(=O)c2ccccc2[C@H](C(=O)NCCN(C)C)[C@@H]1c1ccc(F)cc1 ZINC000003657265 568923088 /nfs/dbraw/zinc/92/30/88/568923088.db2.gz AQSGOOFHJWXOPI-SFTDATJTSA-N 0 3 413.493 2.431 50 0 HEAAHN CN(CC(=O)N[C@@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000007987302 568965002 /nfs/dbraw/zinc/96/50/02/568965002.db2.gz JQAPMVSNCFBCJG-GOSISDBHSA-N 0 3 421.950 2.351 50 0 HEAAHN Cc1ccc2nc(C(=O)N[C@@H]3C4CN5CC3(c3ccccc3)CN(C4)CC5)c(F)n2c1 ZINC000670471172 569001482 /nfs/dbraw/zinc/00/14/82/569001482.db2.gz AMPWCGKOCQAXAZ-SSSUMRQXSA-N 0 3 419.504 2.079 50 0 HEAAHN NC(=O)Cn1cc(CN2CCN(Cc3ccccc3)[C@H](CCO)C2)c2ccccc21 ZINC000104420468 569008639 /nfs/dbraw/zinc/00/86/39/569008639.db2.gz GLPBZQAHBJGMPA-OAQYLSRUSA-N 0 3 406.530 2.195 50 0 HEAAHN O[C@H](CNC[C@H](O)[C@@H]1CCc2cc(F)ccc2O1)[C@H]1CCc2cc(F)ccc2O1 ZINC000005844788 569026570 /nfs/dbraw/zinc/02/65/70/569026570.db2.gz KOHIRBRYDXPAMZ-VVIORFSUSA-N 0 3 405.441 2.364 50 0 fda HEAAHN CN(C)CCNC(=O)c1ccccc1CN1c2ccccc2C(=O)N2CCC[C@@H]2C1=O ZINC000035459480 569038082 /nfs/dbraw/zinc/03/80/82/569038082.db2.gz YEKPUXOUKCCMDB-OAQYLSRUSA-N 0 3 420.513 2.129 50 0 HEAAHN CN(C)CCNC(=O)c1ccccc1CN1c2ccccc2C(=O)N2CCC[C@H]2C1=O ZINC000035459486 569038126 /nfs/dbraw/zinc/03/81/26/569038126.db2.gz YEKPUXOUKCCMDB-NRFANRHFSA-N 0 3 420.513 2.129 50 0 HEAAHN CCO[C@@H]1C[C@H](N[C@H](C)C(=O)N2CCN(c3ncccn3)CC2)C12CCCCC2 ZINC000225421029 569039816 /nfs/dbraw/zinc/03/98/16/569039816.db2.gz UHSAGZRJQGGJMZ-CEXWTWQISA-N 0 3 401.555 2.231 50 0 HEAAHN Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1CNC[C@@H](Cc1ccccc1)N(C)C ZINC000089512563 569062108 /nfs/dbraw/zinc/06/21/08/569062108.db2.gz SHMHSAIGIFTFGN-VQTJNVASSA-N 0 3 404.580 2.122 50 0 HEAAHN COc1cc(NC(=O)N2CCC(CC(=O)NCCN(C)C)CC2)cc(OC)c1OC ZINC000064846726 569108180 /nfs/dbraw/zinc/10/81/80/569108180.db2.gz WOLSSGBFLWXOGU-UHFFFAOYSA-N 0 3 422.526 2.024 50 0 HEAAHN Cc1c2c(nn1-c1ccccc1)c(=O)n(CC(=O)NCCN1CCCC[C@@H]1C)nc2C ZINC000006943723 569186929 /nfs/dbraw/zinc/18/69/29/569186929.db2.gz YTRRBOPLEJVXIL-INIZCTEOSA-N 0 3 422.533 2.190 50 0 HEAAHN COc1c2c(c(CNC(=O)c3ccc(NC(C)=O)cc3)c3c1CN(C)CC3)OCO2 ZINC000524730574 569212017 /nfs/dbraw/zinc/21/20/17/569212017.db2.gz NSFBRRDFEMXOIR-UHFFFAOYSA-N 0 3 411.458 2.300 50 0 HEAAHN Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)NC[C@H](c1ccco1)N1CCCCC1 ZINC000170598327 569242385 /nfs/dbraw/zinc/24/23/85/569242385.db2.gz CQRDQDSHTPCOIZ-GOSISDBHSA-N 0 3 423.583 2.160 50 0 HEAAHN C[C@H]1CN(C)CC[C@H]1N(C)C(=O)CN(C)C(=O)c1ccc(Br)s1 ZINC000252507148 569291297 /nfs/dbraw/zinc/29/12/97/569291297.db2.gz ZQNMPBDFERNXIM-NWDGAFQWSA-N 0 3 402.358 2.381 50 0 HEAAHN Cc1noc(C)c1C(=O)N1CCC2(CC1)C[C@@H](N1CCN(C(C)C)CC1)CCO2 ZINC000581820192 569321200 /nfs/dbraw/zinc/32/12/00/569321200.db2.gz XJFZMKIPQHVQNT-IBGZPJMESA-N 0 3 404.555 2.471 50 0 HEAAHN C[C@H](NCc1ccccc1CN1CCOCC1)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000008734780 571109565 /nfs/dbraw/zinc/10/95/65/571109565.db2.gz CXEUJWRPZPBLNN-KRWDZBQOSA-N 0 3 411.502 2.407 50 0 HEAAHN CCN1CCN(Cc2ccccc2CNC(=O)c2ccc(S(C)(=O)=O)cc2)CC1 ZINC000040089842 571159693 /nfs/dbraw/zinc/15/96/93/571159693.db2.gz WLGDKRHRLJXWAZ-UHFFFAOYSA-N 0 3 415.559 2.158 50 0 HEAAHN COc1ccc(-c2noc(CS(=O)(=O)C(C)C(=O)NC3CCCC3)n2)cc1OC ZINC000040106273 571166922 /nfs/dbraw/zinc/16/69/22/571166922.db2.gz HKSIXJXUIDKREX-GFCCVEGCSA-N 0 3 423.491 2.116 50 0 HEAAHN CN(CCN(C)S(=O)(=O)c1cccc(Br)c1)C1CCN(C)CC1 ZINC000040151497 571199369 /nfs/dbraw/zinc/19/93/69/571199369.db2.gz LRFQXGRGIOXJNX-UHFFFAOYSA-N 0 3 404.374 2.096 50 0 HEAAHN CN(C)CCNC(=O)c1cccc(CN2CCN(Cc3ccc4c(c3)OCO4)CC2)c1 ZINC000034684303 571316357 /nfs/dbraw/zinc/31/63/57/571316357.db2.gz ORMGFGOXYXUBFX-UHFFFAOYSA-N 0 3 424.545 2.025 50 0 HEAAHN O=C(CC[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1)NCCN1CCCCC1 ZINC000581774439 1078748405 /nfs/dbraw/zinc/74/84/05/1078748405.db2.gz VBDLABJXXQZLRE-LJQANCHMSA-N 0 3 407.580 2.470 50 0 HEAAHN CCN1CCC[C@H]1CN(CCC(=O)N1CCNCC1)C(=O)c1ccc(Cl)cc1 ZINC000045966792 521654029 /nfs/dbraw/zinc/65/40/29/521654029.db2.gz QRAVIBINIPEXNG-IBGZPJMESA-N 0 3 406.958 2.088 50 0 HEAAHN CN(C)CCNC(=O)c1nc(-c2ccc(COc3ccc4c(c3)OCO4)cc2)no1 ZINC000031813019 521787120 /nfs/dbraw/zinc/78/71/20/521787120.db2.gz KHSLULBPLHZNPP-UHFFFAOYSA-N 0 3 410.430 2.336 50 0 HEAAHN O=C(c1cccs1)N1CCC(N[C@@H]2CC(=O)N(c3ccc(F)cc3)C2=O)CC1 ZINC000019890118 526836201 /nfs/dbraw/zinc/83/62/01/526836201.db2.gz PKDPXURIJYJLDS-MRXNPFEDSA-N 0 3 401.463 2.414 50 0 HEAAHN COc1ccccc1[C@H](C)NCCNC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1 ZINC000005672200 557667901 /nfs/dbraw/zinc/66/79/01/557667901.db2.gz YROJCMMAKHQITO-LBPRGKRZSA-N 0 3 411.911 2.077 50 0 HEAAHN OCc1ccc(CN2CCC[C@@H](N3CCN(Cc4ccc5c(c4)OCO5)CC3)C2)o1 ZINC000019741779 558262223 /nfs/dbraw/zinc/26/22/23/558262223.db2.gz BPDLYGNHKVPCHV-LJQANCHMSA-N 0 3 413.518 2.283 50 0 HEAAHN CN(C)CCNC(=O)c1ccc(OC2CCN(C(=O)[C@@H]3CCOC3)CC2)c(Cl)c1 ZINC000011817337 558280715 /nfs/dbraw/zinc/28/07/15/558280715.db2.gz OZHMKVXKKBCATO-MRXNPFEDSA-N 0 3 423.941 2.038 50 0 HEAAHN COCCN(CC1CCN(Cc2ccccc2OC)CC1)C(=O)CCN1CCCO1 ZINC000011879677 558294128 /nfs/dbraw/zinc/29/41/28/558294128.db2.gz ZKHUSRVLOXXWKQ-UHFFFAOYSA-N 0 3 419.566 2.410 50 0 HEAAHN COc1cc(CNCc2cccc(C)c2)ccc1OC[C@H](O)CN1CCOCC1 ZINC000011954543 558303267 /nfs/dbraw/zinc/30/32/67/558303267.db2.gz HMDPGXOMKKIJLR-OAQYLSRUSA-N 0 3 400.519 2.365 50 0 HEAAHN Cc1cccn2c(CNCCN3CCCC[C@H]3CO)c(C(=O)N3CCCCC3)nc12 ZINC000019939898 558313682 /nfs/dbraw/zinc/31/36/82/558313682.db2.gz YSBABSQDEBYHIP-IBGZPJMESA-N 0 3 413.566 2.205 50 0 HEAAHN Cc1cccn2c(CNCCN3CCCC[C@@H]3CO)c(C(=O)N3CCCCC3)nc12 ZINC000019939897 558313734 /nfs/dbraw/zinc/31/37/34/558313734.db2.gz YSBABSQDEBYHIP-LJQANCHMSA-N 0 3 413.566 2.205 50 0 HEAAHN CC(=O)C[C@@H](C)C(=O)N1CCC(Oc2cccc(C(=O)N(C)CCN(C)C)c2)CC1 ZINC000012073956 558318622 /nfs/dbraw/zinc/31/86/22/558318622.db2.gz VMANMCXZUXGCMR-QGZVFWFLSA-N 0 3 417.550 2.305 50 0 HEAAHN COc1ccc(C(=O)N2CCCN(C=O)CC2)cc1OC1CCN(C(C)C)CC1 ZINC000012465032 558420237 /nfs/dbraw/zinc/42/02/37/558420237.db2.gz LTAGJQASIGHMGV-UHFFFAOYSA-N 0 3 403.523 2.251 50 0 HEAAHN CC(=O)CCC(=O)N1CCC(Oc2cccc(C(=O)N(C)CCN(C)C)c2)CC1 ZINC000012590959 558435757 /nfs/dbraw/zinc/43/57/57/558435757.db2.gz NLKJFKUCNKBTRG-UHFFFAOYSA-N 0 3 403.523 2.059 50 0 HEAAHN COc1ccc(CN2CCN(C)CC2)cc1OC[C@H](O)CN(C)Cc1ccccc1 ZINC000022851919 558516804 /nfs/dbraw/zinc/51/68/04/558516804.db2.gz XLMYARWGXKYXCR-JOCHJYFZSA-N 0 3 413.562 2.314 50 0 HEAAHN Cc1cccn2c(CNCCCOc3cccnc3)c(C(=O)N3CCOCC3)nc12 ZINC000013596559 558547371 /nfs/dbraw/zinc/54/73/71/558547371.db2.gz KJULXTJWVNADHS-UHFFFAOYSA-N 0 3 409.490 2.069 50 0 HEAAHN C[C@@]1(c2ccc3c(c2)CCC3)NC(=O)N(CN2CCN(c3ccncc3)CC2)C1=O ZINC000023805052 558576411 /nfs/dbraw/zinc/57/64/11/558576411.db2.gz GYFWQLPMBSZKFS-QHCPKHFHSA-N 0 3 405.502 2.117 50 0 HEAAHN COc1ccc([C@@H](CNC(=O)Cn2nc(-c3ccccc3)oc2=O)N2CCCC2)cc1 ZINC000014114834 558621549 /nfs/dbraw/zinc/62/15/49/558621549.db2.gz LGAMFLZELIKOLJ-HXUWFJFHSA-N 0 3 422.485 2.465 50 0 HEAAHN CC[C@]1(c2ccccc2)NC(=O)N(CC(=O)NC[C@@H](c2ccccc2)N(C)C)C1=O ZINC000014185418 558630482 /nfs/dbraw/zinc/63/04/82/558630482.db2.gz XTZDNEGISLITPW-WMZHIEFXSA-N 0 3 408.502 2.263 50 0 HEAAHN NC(=O)CN1C(=O)N(CCc2ccccc2)C2(CCN(Cc3ccccc3)CC2)C1=O ZINC000014540274 558659639 /nfs/dbraw/zinc/65/96/39/558659639.db2.gz UVAZRAWUNFJMQD-UHFFFAOYSA-N 0 3 420.513 2.013 50 0 HEAAHN C[C@@H](CO)N1CCC2(CC1)C(=O)N(Cc1ccccn1)C(=O)N2CCc1ccccc1 ZINC000014732505 558666003 /nfs/dbraw/zinc/66/60/03/558666003.db2.gz CXQSCQXOSITFFV-IBGZPJMESA-N 0 3 422.529 2.304 50 0 HEAAHN CC(=O)Nc1ccc(CN2CCC3(CC2)C(=O)N(Cc2cccnc2)C(=O)N3C)cc1 ZINC000014754446 558671518 /nfs/dbraw/zinc/67/15/18/558671518.db2.gz SHVPSHPEHZDMJK-UHFFFAOYSA-N 0 3 421.501 2.469 50 0 HEAAHN Cc1ccc(C)c(CN2CCc3nnc(CCNC(=O)C4CCOCC4)n3CC2)c1 ZINC000014986937 558693099 /nfs/dbraw/zinc/69/30/99/558693099.db2.gz JDWSEQHHXGRCKL-UHFFFAOYSA-N 0 3 411.550 2.039 50 0 HEAAHN CC(C)OCCN1CCC(NC(=O)CCC(=O)N2CCc3sccc3C2)CC1 ZINC000072310431 558777328 /nfs/dbraw/zinc/77/73/28/558777328.db2.gz LKMRDHHNQJBPAY-UHFFFAOYSA-N 0 3 407.580 2.419 50 0 HEAAHN CC1CCN([C@@H](CNC(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)c2cccs2)CC1 ZINC000032983109 558804084 /nfs/dbraw/zinc/80/40/84/558804084.db2.gz SITIXVMZQCTNLC-KRWDZBQOSA-N 0 3 412.515 2.481 50 0 HEAAHN CCN1CCN(CCNC(=O)c2nc3ccccn3c2-c2ccc(OC)cc2)CC1 ZINC000097939325 558825654 /nfs/dbraw/zinc/82/56/54/558825654.db2.gz WZFVYLZYNOKXCS-UHFFFAOYSA-N 0 3 407.518 2.377 50 0 HEAAHN Cc1ccc(C(=O)N2CC[C@@H](N3CCN(CCc4ccccc4)CC3)[C@H](O)C2)cc1 ZINC000019334373 558869527 /nfs/dbraw/zinc/86/95/27/558869527.db2.gz SJJCYMHQUUGOTI-DNQXCXABSA-N 0 3 407.558 2.431 50 0 HEAAHN COc1ccc(C[C@@H](NC[C@H](O)CN2CCOCC2)c2ccc(OC)cc2)cc1 ZINC000057993529 558893197 /nfs/dbraw/zinc/89/31/97/558893197.db2.gz YNISYUGGABUNQW-NZQKXSOJSA-N 0 3 400.519 2.270 50 0 HEAAHN CCN1CCC(N(C)C(=O)[C@@H]2C[C@H]3CCCC[C@@H]3N2C(=O)c2cnn(C)c2C)CC1 ZINC000058166239 558906971 /nfs/dbraw/zinc/90/69/71/558906971.db2.gz GNDIWIHDBCRDFG-QMMLZNLJSA-N 0 3 415.582 2.445 50 0 HEAAHN CC[C@H](C(=O)NC1CCN(C)CC1)N(c1cc(Cl)ccc1OC)S(C)(=O)=O ZINC000071754814 558909590 /nfs/dbraw/zinc/90/95/90/558909590.db2.gz BEZWJIHSXQTOAK-OAHLLOKOSA-N 0 3 417.959 2.104 50 0 HEAAHN C[C@@H]1CN(S(=O)(=O)c2cccc(C(=O)N3CCCC[C@@H]3CN(C)C)c2)C[C@@H](C)O1 ZINC000058202182 558911515 /nfs/dbraw/zinc/91/15/15/558911515.db2.gz RXDCWVDKTHFECC-ZHALLVOQSA-N 0 3 423.579 2.041 50 0 HEAAHN O=C([C@H]1CC(=O)N(c2ccccc2Br)C1)N1CC[C@@H](N2CCCC2)C1 ZINC000060374069 558942076 /nfs/dbraw/zinc/94/20/76/558942076.db2.gz KOWYPXFZLHHXAK-LSDHHAIUSA-N 0 3 406.324 2.499 50 0 HEAAHN C[C@H](C(=O)NC1CCN(C)CC1)N(c1cccc(C(F)(F)F)c1)S(C)(=O)=O ZINC000065364640 558975732 /nfs/dbraw/zinc/97/57/32/558975732.db2.gz OEQSSPHEEJRLOQ-GFCCVEGCSA-N 0 3 407.458 2.070 50 0 HEAAHN CCN1CCN(CCCN2CC3(CCN(Cc4ccc(C)o4)CC3)OC2=O)CC1 ZINC000072431828 558979375 /nfs/dbraw/zinc/97/93/75/558979375.db2.gz WSWITJRMDCPJQM-UHFFFAOYSA-N 0 3 404.555 2.402 50 0 HEAAHN CN1CCC(NC(=O)[C@H]2CCCN(S(=O)(=O)Cc3ccc(Cl)cc3)C2)CC1 ZINC000072436833 558980081 /nfs/dbraw/zinc/98/00/81/558980081.db2.gz ZEEYUOLGDVEKDO-INIZCTEOSA-N 0 3 413.971 2.092 50 0 HEAAHN COCCN(C)CCN1CC2(CCN(C(=O)c3coc4ccccc34)CC2)OC1=O ZINC000077406312 559003839 /nfs/dbraw/zinc/00/38/39/559003839.db2.gz SFIOHUYPCHTDDN-UHFFFAOYSA-N 0 3 415.490 2.438 50 0 HEAAHN Cc1ccc(CN2CC34C=CC(O3)C(C(=O)N3CCn5cccc5C3)C4C2=O)cc1C ZINC000077406872 559004047 /nfs/dbraw/zinc/00/40/47/559004047.db2.gz DAJONIDKEDZADI-MTQWNXOMSA-N 0 3 417.509 2.429 50 0 HEAAHN COc1cccc(-c2ncc(CN3C[C@H](CO)[C@H](CN4CCOCC4)C3)s2)c1 ZINC000091780337 559073569 /nfs/dbraw/zinc/07/35/69/559073569.db2.gz FPMLILYIMUQQTN-QZTJIDSGSA-N 0 3 403.548 2.191 50 0 HEAAHN COc1ccc(CN2CCCCC23CC3)c(OC[C@@H](O)CN2CCN(C)CC2)c1 ZINC000095500807 559082341 /nfs/dbraw/zinc/08/23/41/559082341.db2.gz VYRZMWYIGQJRCB-FQEVSTJZSA-N 0 3 403.567 2.201 50 0 HEAAHN COc1ccc(CN(C)Cc2cc(C)nn2C)c(OC[C@@H](O)CN2CCCC2)c1 ZINC000095521365 559085267 /nfs/dbraw/zinc/08/52/67/559085267.db2.gz OJOPENDSCYELMU-FQEVSTJZSA-N 0 3 402.539 2.205 50 0 HEAAHN COc1ccc(CNc2nn3c(nc(CN4CCCCCC4)cc3=O)[nH]2)cc1OC ZINC000101796724 560801771 /nfs/dbraw/zinc/80/17/71/560801771.db2.gz HZWPOCRXKFTLRI-UHFFFAOYSA-N 0 3 412.494 2.423 50 0 HEAAHN O=C(Cn1cc(Br)ccc1=O)N1CCCN(Cc2ccccc2)CC1 ZINC000046028595 568424513 /nfs/dbraw/zinc/42/45/13/568424513.db2.gz VWIMCHKLRYYLBU-UHFFFAOYSA-N 0 3 404.308 2.345 50 0 HEAAHN CC(C)C[C@H](NC(=O)c1ccn(-c2cccc(Cl)c2)n1)C(=O)NCCN(C)C ZINC000095444083 568611189 /nfs/dbraw/zinc/61/11/89/568611189.db2.gz DYWGECWPNFHARE-SFHVURJKSA-N 0 3 405.930 2.348 50 0 HEAAHN COC[C@H](O)CN1CCC(NC(=O)c2sc3nc(C4CC4)nc(C)c3c2C)CC1 ZINC000095445008 568611579 /nfs/dbraw/zinc/61/15/79/568611579.db2.gz XYBNEJFMFBCOBQ-MRXNPFEDSA-N 0 3 418.563 2.387 50 0 HEAAHN CC(C)C[NH+](CC[N-]S(=O)(=O)c1ccc(-c2ccc(=O)[nH]n2)s1)CC(C)C ZINC000020984967 568655149 /nfs/dbraw/zinc/65/51/49/568655149.db2.gz WZRPISYYEVXFLW-UHFFFAOYSA-N 0 3 412.581 2.391 50 0 HEAAHN CCOC(=O)c1cnn(-c2ccc(C(=O)NCCN(C)Cc3ccccc3)cc2)c1N ZINC000021652072 568729798 /nfs/dbraw/zinc/72/97/98/568729798.db2.gz GQJXHDIHMFKZDA-UHFFFAOYSA-N 0 3 421.501 2.493 50 0 HEAAHN O=C(Cn1c2cccnc2n(-c2ccc(F)cc2)c1=O)NCCN1CCCCCC1 ZINC000096385820 568742211 /nfs/dbraw/zinc/74/22/11/568742211.db2.gz QUWIUTGJLRFJNN-UHFFFAOYSA-N 0 3 411.481 2.319 50 0 HEAAHN CCCCN1CCCC[C@H]1CNC(=O)c1cc(S(=O)(=O)N(CC)CC)cn1C ZINC000058155756 568893129 /nfs/dbraw/zinc/89/31/29/568893129.db2.gz SNCUYUUHOFLXIJ-KRWDZBQOSA-N 0 3 412.600 2.440 50 0 HEAAHN COc1ccccc1CCC(=O)N[C@H]1C2CN3CC1(c1ccccc1)CN(C2)CC3 ZINC000670452072 568927098 /nfs/dbraw/zinc/92/70/98/568927098.db2.gz LDAZDLZEDYZQRG-SILAFFCESA-N 0 3 405.542 2.312 50 0 HEAAHN O=C(Cc1c[nH]c2ccccc12)N[C@H]1C2CN3CC1(c1ccccc1)CN(C2)CC3 ZINC000670463568 568961146 /nfs/dbraw/zinc/96/11/46/568961146.db2.gz DBFOJKUIXZQHRI-WDEWVQCLSA-N 0 3 400.526 2.394 50 0 HEAAHN Cc1cc(C)c(S(=O)(=O)N2CCN(c3cc(N(C)C)nc(C)n3)CC2)c(C)c1 ZINC000015671229 568961604 /nfs/dbraw/zinc/96/16/04/568961604.db2.gz FRMJUGAEPDIKFD-UHFFFAOYSA-N 0 3 403.552 2.287 50 0 HEAAHN CN(CC(=O)N[C@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000007987303 568964986 /nfs/dbraw/zinc/96/49/86/568964986.db2.gz JQAPMVSNCFBCJG-SFHVURJKSA-N 0 3 421.950 2.351 50 0 HEAAHN CCN1CCC2(CC1)OC(=O)C(C)=C2C(=O)NCCc1ccc(OC)cc1OC ZINC000015679434 568966336 /nfs/dbraw/zinc/96/63/36/568966336.db2.gz VNCJTUFLGZJFHM-UHFFFAOYSA-N 0 3 402.491 2.090 50 0 biogenic HEAAHN C[C@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(Cl)c(C(=O)NCCN(C)C)c2)C1 ZINC000008328575 568992711 /nfs/dbraw/zinc/99/27/11/568992711.db2.gz CAFCLGSVBUUFRR-KBPBESRZSA-N 0 3 401.960 2.298 50 0 HEAAHN Cc1nc(NCCNS(=O)(=O)c2ccc3cccc4c3c2CC4)cc(N(C)C)n1 ZINC000038488304 568997627 /nfs/dbraw/zinc/99/76/27/568997627.db2.gz ROPIGFHOWLQCJF-UHFFFAOYSA-N 0 3 411.531 2.493 50 0 HEAAHN COc1cc2c(c3oc(=O)c(CC(=O)NCCN(C)C)c(C)c13)CCC(C)(C)O2 ZINC000012902325 569020638 /nfs/dbraw/zinc/02/06/38/569020638.db2.gz FBVRUHSMOVVBTP-UHFFFAOYSA-N 0 3 402.491 2.434 50 0 biogenic HEAAHN COc1ccc(-c2noc(-c3ccc(NCCCN4CCN(C)CC4)nn3)n2)cc1 ZINC000064838043 569106153 /nfs/dbraw/zinc/10/61/53/569106153.db2.gz BNQPGPFAQLNJDN-UHFFFAOYSA-N 0 3 409.494 2.252 50 0 HEAAHN O=C(NCCN1CCCCCC1)c1nc(Cn2c(=O)oc3ccc(Cl)cc32)no1 ZINC000065111843 569180415 /nfs/dbraw/zinc/18/04/15/569180415.db2.gz TVWYDDYYWHEUFZ-UHFFFAOYSA-N 0 3 419.869 2.285 50 0 HEAAHN CN(CCN(C(=O)c1ccc2c(c1)C(=O)N(C[C@@H]1CCCO1)C2=O)C1CC1)C1CC1 ZINC000170606119 569244345 /nfs/dbraw/zinc/24/43/45/569244345.db2.gz ISQXRBWYWJLBNZ-SFHVURJKSA-N 0 3 411.502 2.160 50 0 HEAAHN CCOC(=O)C1C(CN2CCCC[C@@H]2C)=NC(=O)N[C@H]1c1ccc2c(c1)OCO2 ZINC000054979055 569372921 /nfs/dbraw/zinc/37/29/21/569372921.db2.gz UUAOBMKNZCBXPM-DJJJIMSYSA-N 0 3 401.463 2.461 50 0 HEAAHN CC1CCN([C@H](CNC(=O)C2CCN(S(C)(=O)=O)CC2)c2cccs2)CC1 ZINC000027575312 569374763 /nfs/dbraw/zinc/37/47/63/569374763.db2.gz PDJDTXGONKAFCB-QGZVFWFLSA-N 0 3 413.609 2.309 50 0 HEAAHN Cn1c(CN2CCCCC2)cc(=O)c(O)c1CN1CCN(Cc2ccccc2)CC1 ZINC000079482301 569431878 /nfs/dbraw/zinc/43/18/78/569431878.db2.gz WGXWCKLNDKORRU-UHFFFAOYSA-N 0 3 410.562 2.395 50 0 HEAAHN CCN(CC)[C@@H](CNC(=O)N1CCN(c2ncccn2)CC1)c1cccc(OC)c1 ZINC000040071232 571151981 /nfs/dbraw/zinc/15/19/81/571151981.db2.gz ICJVJTRXSQSZMO-FQEVSTJZSA-N 0 3 412.538 2.400 50 0 HEAAHN NS(=O)(=O)c1ccc(CCNC(=O)CCN2CCC[C@@H]2c2ccsc2)cc1 ZINC000040154237 571201425 /nfs/dbraw/zinc/20/14/25/571201425.db2.gz SSQNWPPTKHPCNA-GOSISDBHSA-N 0 3 407.561 2.281 50 0 HEAAHN Cc1nn(Cc2ccc(Cl)cc2Cl)c(C)c1NC(=O)C(=O)NCCN(C)C ZINC000009530941 571266938 /nfs/dbraw/zinc/26/69/38/571266938.db2.gz NKXFJTMMWIPOLX-UHFFFAOYSA-N 0 3 412.321 2.471 50 0 HEAAHN COc1cccc([C@@H](CNC(=O)Cn2cnc3ccccc3c2=O)N2CCCC2)c1 ZINC000009952669 571291551 /nfs/dbraw/zinc/29/15/51/571291551.db2.gz FNARHYOJMMJLGZ-OAQYLSRUSA-N 0 3 406.486 2.358 50 0 HEAAHN NC(=O)[C@@H]1CCCN(Cc2ccccc2NC(=O)[C@@H]2CC(=O)N(C3CCCC3)C2)C1 ZINC000071850333 571303522 /nfs/dbraw/zinc/30/35/22/571303522.db2.gz SRIQUYHEPJEBJS-QZTJIDSGSA-N 0 3 412.534 2.114 50 0 HEAAHN O=C(CN1CCCc2nc(-c3ccccc3)ncc2C1=O)NCCN1CCCCC1 ZINC000581787388 1078760770 /nfs/dbraw/zinc/76/07/70/1078760770.db2.gz FBCARSBSYWXSQA-UHFFFAOYSA-N 0 3 407.518 2.134 50 0 HEAAHN O=C(Nc1ccc2c(c1)OCCO2)N1CCC2(CC1)C[C@@H](N1CCOCC1)CCO2 ZINC000581784021 1078763942 /nfs/dbraw/zinc/76/39/42/1078763942.db2.gz WZJFOWFRYOUEDD-SFHVURJKSA-N 0 3 417.506 2.336 50 0 HEAAHN COCCO[C@H]1CN(C2CCN(C(=O)c3cc(C)nn3C)CC2)C12CCCCC2 ZINC000581802447 1078772552 /nfs/dbraw/zinc/77/25/52/1078772552.db2.gz KKCFESCHYJJKJA-FQEVSTJZSA-N 0 3 404.555 2.383 50 0 HEAAHN CCn1cc(CN2CCC[C@@H](N3CCN(Cc4ccc5c(c4)OCO5)CC3)C2)cn1 ZINC000020538931 523371258 /nfs/dbraw/zinc/37/12/58/523371258.db2.gz GSQRRZWGMWPFMM-OAQYLSRUSA-N 0 3 411.550 2.414 50 0 HEAAHN Cc1cccc(CN2CCc3nnc(CNC(=O)CCc4cccnc4)n3CC2)c1 ZINC000020600821 524408563 /nfs/dbraw/zinc/40/85/63/524408563.db2.gz SOBHVDNIPVTZBC-UHFFFAOYSA-N 0 3 404.518 2.289 50 0 HEAAHN Cn1c2nc(SCCN3CCCCC3)n(CCc3ccccc3)c2c(=O)[nH]c1=O ZINC000004134841 557518567 /nfs/dbraw/zinc/51/85/67/557518567.db2.gz FTLMXWVNPPLVFC-UHFFFAOYSA-N 0 3 413.547 2.244 50 0 HEAAHN COc1ccc(OC)c([C@@H]2CCN(C(=O)c3cn(CCN4CCCCC4)nn3)C2)c1 ZINC000011661224 558265370 /nfs/dbraw/zinc/26/53/70/558265370.db2.gz CTXHDXQNMRKTJV-QGZVFWFLSA-N 0 3 413.522 2.411 50 0 HEAAHN CN(CC1CCN(CCc2ccc(F)cc2)CC1)C(=O)CN1C(=O)CSC1=O ZINC000011662859 558266478 /nfs/dbraw/zinc/26/64/78/558266478.db2.gz IXOZDBZWGJOSMP-UHFFFAOYSA-N 0 3 407.511 2.234 50 0 HEAAHN O=C(c1cn(CCN2CCCCC2)nn1)N1CCC([C@@H](O)c2cccs2)CC1 ZINC000012194213 558348926 /nfs/dbraw/zinc/34/89/26/558348926.db2.gz NNYJLSULPBKJMX-LJQANCHMSA-N 0 3 403.552 2.411 50 0 HEAAHN CCOc1cc(CN2CC[C@@H](N3CCOCC3)[C@@H](CCC(=O)OC)C2)ccc1O ZINC000020351912 558356937 /nfs/dbraw/zinc/35/69/37/558356937.db2.gz UEERLYDYUAICBS-RBUKOAKNSA-N 0 3 406.523 2.267 50 0 HEAAHN Cc1c(CN2CCC[C@@H](N3CCN(Cc4ccc5c(c4)OCO5)CC3)C2)cnn1C ZINC000020455137 558368888 /nfs/dbraw/zinc/36/88/88/558368888.db2.gz UWPUJFQOVWLCIS-OAQYLSRUSA-N 0 3 411.550 2.239 50 0 HEAAHN COc1ccc(CNCc2ccc(C)s2)c(OC[C@@H](O)CN2CCN(C)CC2)c1 ZINC000020878096 558419752 /nfs/dbraw/zinc/41/97/52/558419752.db2.gz ZWHXIYDJMQBEEG-IBGZPJMESA-N 0 3 419.591 2.342 50 0 HEAAHN C[C@@H]1CN(C(=O)c2ccc(CNC(=O)NCCN3CCCCC3)cc2)C[C@H](C)O1 ZINC000072036965 558434618 /nfs/dbraw/zinc/43/46/18/558434618.db2.gz WYYAFKUQFHKHMB-HDICACEKSA-N 0 3 402.539 2.221 50 0 HEAAHN Cc1nc(N2CCN(C)CC2)cc(N2CCN(C(=O)c3cccc(Cl)c3)CC2)n1 ZINC000021794598 558449363 /nfs/dbraw/zinc/44/93/63/558449363.db2.gz HNUWGNCKTKRGRX-UHFFFAOYSA-N 0 3 414.941 2.153 50 0 HEAAHN CCN1CCN(C[C@H](O)COc2ccc(CN3CCCCCC3)cc2OC)CC1 ZINC000023360742 558552200 /nfs/dbraw/zinc/55/22/00/558552200.db2.gz FHKPFJAZNCQADV-NRFANRHFSA-N 0 3 405.583 2.448 50 0 HEAAHN Cc1ccc(NC(=O)CN(C)[C@@H](C)C(C)(C)C)cc1S(=O)(=O)N1CCOCC1 ZINC000027132031 558669806 /nfs/dbraw/zinc/66/98/06/558669806.db2.gz BNFLHDKYATVXAM-INIZCTEOSA-N 0 3 411.568 2.321 50 0 HEAAHN COCCN1C(=O)N(Cc2cccnc2)C(=O)C12CCN(Cc1cccc(O)c1)CC2 ZINC000014751504 558670897 /nfs/dbraw/zinc/67/08/97/558670897.db2.gz PKCRCSQZTLWBGQ-UHFFFAOYSA-N 0 3 424.501 2.233 50 0 HEAAHN CN(C)CCN1C(=O)C[C@@](CC(=O)N(C)Cc2ccco2)(c2cccc(F)c2)C1=O ZINC000014882563 558676674 /nfs/dbraw/zinc/67/66/74/558676674.db2.gz PEHMWXXRZIIXQO-QFIPXVFZSA-N 0 3 415.465 2.026 50 0 HEAAHN COc1ccc(C(=O)NCC(=O)NC[C@H](c2cccs2)N2CCCC2)cc1OC ZINC000027605931 558677336 /nfs/dbraw/zinc/67/73/36/558677336.db2.gz JUZHBEXIGBINKK-MRXNPFEDSA-N 0 3 417.531 2.448 50 0 HEAAHN CCN1CCN(CCCNC(=O)[C@H]2CCCN(c3nc4cccnc4s3)C2)CC1 ZINC000022937563 558725894 /nfs/dbraw/zinc/72/58/94/558725894.db2.gz OFAYKDGGODNERR-KRWDZBQOSA-N 0 3 416.595 2.052 50 0 HEAAHN Cc1ccc(NC(=O)c2nnc(SCC(=O)NCCN3CCCC3)s2)cc1 ZINC000033011793 558831225 /nfs/dbraw/zinc/83/12/25/558831225.db2.gz GNFKUPGIWXCAQE-UHFFFAOYSA-N 0 3 405.549 2.403 50 0 HEAAHN CN1CCCN(c2ccc(NC(=O)NCc3cccnc3-n3cncn3)cc2F)CC1 ZINC000058201365 558911383 /nfs/dbraw/zinc/91/13/83/558911383.db2.gz BXGRIVFHWXLUDE-UHFFFAOYSA-N 0 3 424.484 2.265 50 0 HEAAHN O=C(NC[C@H]([C@@H]1CCOC1)N1CCOCC1)Nc1cccc(CN2CCCC2)c1 ZINC000058297350 558917362 /nfs/dbraw/zinc/91/73/62/558917362.db2.gz XWUFCHHOBGXQAD-TZIWHRDSSA-N 0 3 402.539 2.141 50 0 HEAAHN O=C(CCc1ccc(S(=O)(=O)N2CCCCC2)cc1)N[C@H]1CCN(C2CC2)C1 ZINC000060061267 558940758 /nfs/dbraw/zinc/94/07/58/558940758.db2.gz JKVZUNURVFLIHJ-SFHVURJKSA-N 0 3 405.564 2.147 50 0 HEAAHN O=C([C@@H]1CC(=O)N(c2ccccc2Br)C1)N1CC[C@@H](N2CCCC2)C1 ZINC000060374068 558942060 /nfs/dbraw/zinc/94/20/60/558942060.db2.gz KOWYPXFZLHHXAK-HUUCEWRRSA-N 0 3 406.324 2.499 50 0 HEAAHN CN(CCc1ccccc1)CCN1CC2(CCN(C(=O)c3cc[nH]n3)CC2)OC1=O ZINC000077389747 559003553 /nfs/dbraw/zinc/00/35/53/559003553.db2.gz MZHKLVBEIPLFOK-UHFFFAOYSA-N 0 3 411.506 2.011 50 0 HEAAHN CN(CCc1ccccc1)CCN1CC2(CCN(C(=O)c3ccn[nH]3)CC2)OC1=O ZINC000077389747 559003555 /nfs/dbraw/zinc/00/35/55/559003555.db2.gz MZHKLVBEIPLFOK-UHFFFAOYSA-N 0 3 411.506 2.011 50 0 HEAAHN O=C(NCC1CCN(Cc2cccs2)CC1)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000023127521 559015891 /nfs/dbraw/zinc/01/58/91/559015891.db2.gz HWJQCPHGSLWFMO-UHFFFAOYSA-N 0 3 415.515 2.486 50 0 HEAAHN CCOC(=O)c1c2c(sc1NC(=O)CNCCCN1CCOCC1)C[C@H](C)CC2 ZINC000004747878 559046075 /nfs/dbraw/zinc/04/60/75/559046075.db2.gz FOKPXPKMTXIUFB-OAHLLOKOSA-N 0 3 423.579 2.300 50 0 HEAAHN COc1ccc(CCN(CC2CCN(C)CC2)C(=O)[C@@H](C)N2CCOCC2)cc1 ZINC000095500969 559082375 /nfs/dbraw/zinc/08/23/75/559082375.db2.gz YCMNOJIJLZURAP-LJQANCHMSA-N 0 3 403.567 2.129 50 0 HEAAHN CC1=NN(c2ccc(C)cc2)C(=O)[C@@]12Cc1ccccc1N1CCN(CCO)C[C@H]12 ZINC000247992602 559275067 /nfs/dbraw/zinc/27/50/67/559275067.db2.gz BKTKCSYTIZBPQN-UPVQGACJSA-N 0 3 404.514 2.443 50 0 HEAAHN O=C1C[C@H](NCCCN2CCN(Cc3ccccc3)CC2)C(=O)N1c1ccc(F)cc1 ZINC000102541438 560814514 /nfs/dbraw/zinc/81/45/14/560814514.db2.gz WBVZISLTLRUMSO-QFIPXVFZSA-N 0 3 424.520 2.255 50 0 HEAAHN CCN1CCN(CCCNC(=O)c2ccc(F)cc2I)CC1 ZINC000048217858 568432442 /nfs/dbraw/zinc/43/24/42/568432442.db2.gz DVSSMTVTYODRPN-UHFFFAOYSA-N 0 3 419.282 2.188 50 0 HEAAHN O=C(Cn1cnc2c(c1=O)CN(Cc1ccccc1)CC2)Nc1ccc2c(c1)OCO2 ZINC000049400735 568447550 /nfs/dbraw/zinc/44/75/50/568447550.db2.gz RQZRSADROZEBJP-UHFFFAOYSA-N 0 3 418.453 2.169 50 0 HEAAHN COc1ccccc1NC(=O)C1CC(=O)Nc2c1c(=O)[nH]c(=O)n2Cc1ccccc1 ZINC000049551812 568452018 /nfs/dbraw/zinc/45/20/18/568452018.db2.gz GGZWQNKFRNTCBK-AWEZNQCLSA-N 0 3 420.425 2.308 50 0 HEAAHN COc1ccccc1OCCNCC(=O)N1CCc2cc(OC)c(OC)cc2C1 ZINC000049581357 568452825 /nfs/dbraw/zinc/45/28/25/568452825.db2.gz QBXWITTWBGEUTC-UHFFFAOYSA-N 0 3 400.475 2.266 50 0 HEAAHN CN(CCN1CCCCC1)C(=O)C[C@@H]1C(=O)NCCN1Cc1ccc2ccccc2c1 ZINC000012373243 568517405 /nfs/dbraw/zinc/51/74/05/568517405.db2.gz XJEMLQMTIKCUQO-HSZRJFAPSA-N 0 3 422.573 2.475 50 0 HEAAHN CCOC(=O)C1C(CN2CCN(CC)CC2)=NC(=O)N[C@@H]1c1ccc(Cl)cc1 ZINC000020214202 568594720 /nfs/dbraw/zinc/59/47/20/568594720.db2.gz WQOUTLSRWODWAK-GOSISDBHSA-N 0 3 406.914 2.149 50 0 HEAAHN CN(CCCNC(=O)c1cc(S(=O)(=O)N2CCCCC2)c[nH]1)Cc1ccccc1 ZINC000020510493 568621058 /nfs/dbraw/zinc/62/10/58/568621058.db2.gz FMMZVIGXXYPIEJ-UHFFFAOYSA-N 0 3 418.563 2.441 50 0 HEAAHN Cc1nc2c3ccc(Br)cc3nn2c(C)c1CC(=O)NCCN(C)C ZINC000095479381 568632440 /nfs/dbraw/zinc/63/24/40/568632440.db2.gz NDBUXCOLZTWSEN-UHFFFAOYSA-N 0 3 404.312 2.482 50 0 HEAAHN COc1cc(CNC[C@H]2CN(C(=O)c3ccccc3)[C@H]3CCN2C3)cc2c1OCO2 ZINC000095981110 568675319 /nfs/dbraw/zinc/67/53/19/568675319.db2.gz YSJIUISDTNRJSJ-OALUTQOASA-N 0 3 409.486 2.112 50 0 HEAAHN O=C(NCCc1nnc2n1CCN(Cc1cccc3cccnc31)CC2)c1ccoc1 ZINC000299770038 568874169 /nfs/dbraw/zinc/87/41/69/568874169.db2.gz QAQZWLCCZUKNFK-UHFFFAOYSA-N 0 3 416.485 2.450 50 0 HEAAHN O=C1CO[C@@H](COc2ccc(F)cc2)CN1C1CCN(CCCn2cccn2)CC1 ZINC000299775362 568874558 /nfs/dbraw/zinc/87/45/58/568874558.db2.gz BNPMPSRFMHFHKH-OAQYLSRUSA-N 0 3 416.497 2.183 50 0 HEAAHN O=C(N[C@H]1C2CN3CC1(c1ccccc1)CN(C2)CC3)c1ccc(CN2CCCC2)o1 ZINC000670445198 568910840 /nfs/dbraw/zinc/91/08/40/568910840.db2.gz PPKWORXXGQPLEY-VMQIMYIWSA-N 0 3 420.557 2.173 50 0 HEAAHN COc1ccc(F)c(F)c1C(=O)N[C@@H]1C2CN3CC1(c1ccccc1)CN(C2)CC3 ZINC000670458538 568944736 /nfs/dbraw/zinc/94/47/36/568944736.db2.gz UELOEBPFOZBHQE-HEBXWJCKSA-N 0 3 413.468 2.271 50 0 HEAAHN O=S(=O)(c1ccc(NC[C@H](c2ccccc2)N2CCCC2)nc1)N1CCOCC1 ZINC000007980175 568963469 /nfs/dbraw/zinc/96/34/69/568963469.db2.gz HZUNBGRHLSDHDA-HXUWFJFHSA-N 0 3 416.547 2.352 50 0 HEAAHN COCC1CCN(S(=O)(=O)NC[C@@H]2CCCN(CCc3ccccc3)C2)CC1 ZINC000670468616 568977346 /nfs/dbraw/zinc/97/73/46/568977346.db2.gz MSFARYGUTHDFBO-NRFANRHFSA-N 0 3 409.596 2.134 50 0 HEAAHN Cc1ccc(S(=O)(=O)NCCC(=O)NC2CCN(Cc3ccccc3)CC2)cc1 ZINC000012999736 569049200 /nfs/dbraw/zinc/04/92/00/569049200.db2.gz FDBUFAGUTINAJS-UHFFFAOYSA-N 0 3 415.559 2.444 50 0 HEAAHN COc1ccc(CN(CCN2CCOCC2)C[C@@H](O)COCc2ccccc2)cc1 ZINC000036102043 569091686 /nfs/dbraw/zinc/09/16/86/569091686.db2.gz JGMAKHVIRNMLNU-HSZRJFAPSA-N 0 3 414.546 2.407 50 0 HEAAHN CN(CCNC(=O)Cn1c2ccccc2c2cnn(C)c(=O)c21)Cc1ccccc1 ZINC000064839327 569105267 /nfs/dbraw/zinc/10/52/67/569105267.db2.gz FLYOAOFZQZUWHQ-UHFFFAOYSA-N 0 3 403.486 2.136 50 0 HEAAHN Cc1onc2c1c(C)nn(CC(=O)NCCN1CCC(Cc3ccccc3)CC1)c2=O ZINC000064842299 569106943 /nfs/dbraw/zinc/10/69/43/569106943.db2.gz UMARQGQTGLHDFB-UHFFFAOYSA-N 0 3 423.517 2.072 50 0 HEAAHN CCCN1C(=O)COc2cc(-c3noc(C(=O)NC[C@@H]4CCCN4CC)n3)ccc21 ZINC000065138023 569183747 /nfs/dbraw/zinc/18/37/47/569183747.db2.gz LIKPIGLSIFGYFQ-HNNXBMFYSA-N 0 3 413.478 2.086 50 0 HEAAHN COc1ccc(-n2nc(C(=O)NCCN3CCCC3)c3ccccc3c2=O)c(OC)c1 ZINC000006950390 569189368 /nfs/dbraw/zinc/18/93/68/569189368.db2.gz NCIDWICWZAQMCW-UHFFFAOYSA-N 0 3 422.485 2.229 50 0 HEAAHN COc1ccc(OC)c(-c2cc(C(=O)N[C@@H](C)CCN3CCN(C)CC3)no2)c1 ZINC000170598026 569242255 /nfs/dbraw/zinc/24/22/55/569242255.db2.gz YHVQHJTWJJLSQZ-HNNXBMFYSA-N 0 3 402.495 2.115 50 0 HEAAHN Cc1cc(N2CCN(C)CC2)nc(N2CCN(C(=O)c3cccc(Cl)c3)CC2)n1 ZINC000017012462 569271564 /nfs/dbraw/zinc/27/15/64/569271564.db2.gz WOFKRMSVHGVNKP-UHFFFAOYSA-N 0 3 414.941 2.153 50 0 HEAAHN CCNC(=O)NC1CCN(c2ccccc2C(=O)N(C)C2CCN(C)CC2)CC1 ZINC000037525628 569303883 /nfs/dbraw/zinc/30/38/83/569303883.db2.gz QUWPOHNNNDAOPP-UHFFFAOYSA-N 0 3 401.555 2.141 50 0 HEAAHN CC(=O)N1CCN([C@H]2CCOC3(CCN(C(=O)NC4CCCCC4)CC3)C2)CC1 ZINC000581819720 569320797 /nfs/dbraw/zinc/32/07/97/569320797.db2.gz FAAGIVFQIIAOLS-FQEVSTJZSA-N 0 3 406.571 2.206 50 0 HEAAHN O=C(N[C@@H]1CCN(Cc2ccccc2)C1)[C@@H](Cc1c[nH]cn1)NC(=O)C1CCCCC1 ZINC000253404722 569365829 /nfs/dbraw/zinc/36/58/29/569365829.db2.gz DOCVFDBFTJOYLG-IFMALSPDSA-N 0 3 423.561 2.408 50 0 HEAAHN O=C(N[C@@H]1CCN(Cc2ccccc2)C1)[C@@H](Cc1cnc[nH]1)NC(=O)C1CCCCC1 ZINC000253404722 569365831 /nfs/dbraw/zinc/36/58/31/569365831.db2.gz DOCVFDBFTJOYLG-IFMALSPDSA-N 0 3 423.561 2.408 50 0 HEAAHN CCCN(CCN(C)C)C(=O)C1CCN(C(=O)c2cc(OC)cc(OC)c2)CC1 ZINC000078757346 569420276 /nfs/dbraw/zinc/42/02/76/569420276.db2.gz CKBBSFMUKVMLEZ-UHFFFAOYSA-N 0 3 405.539 2.356 50 0 HEAAHN CCOC(=O)C1C(CN2CCCN(C)CC2)=NC(=O)N[C@@H]1c1ccc(CC)cc1 ZINC000067286587 571064404 /nfs/dbraw/zinc/06/44/04/571064404.db2.gz GZEPULFLGNGOMV-HXUWFJFHSA-N 0 3 400.523 2.058 50 0 HEAAHN CCOC(=O)C1=C(CN2CCCN(C)CC2)NC(=O)N[C@@H]1c1ccc(CC)cc1 ZINC000067286587 571064406 /nfs/dbraw/zinc/06/44/06/571064406.db2.gz GZEPULFLGNGOMV-HXUWFJFHSA-N 0 3 400.523 2.058 50 0 HEAAHN NC(=O)[C@H]1CCCN(Cc2ccccc2NC(=O)[C@@H]2CC(=O)N(C3CCCC3)C2)C1 ZINC000071850332 571303515 /nfs/dbraw/zinc/30/35/15/571303515.db2.gz SRIQUYHEPJEBJS-ZWKOTPCHSA-N 0 3 412.534 2.114 50 0 HEAAHN O=C(CCC1CCN(S(=O)(=O)c2ccccc2)CC1)NCCN1CCCCC1 ZINC000581774077 1078748032 /nfs/dbraw/zinc/74/80/32/1078748032.db2.gz IRNNBXBTGVOWCO-UHFFFAOYSA-N 0 3 407.580 2.470 50 0 HEAAHN O=C(CCc1nc2ccccc2[nH]1)N1CCC2(CC1)C[C@@H](N1CCOCC1)CCO2 ZINC000581784014 1078763931 /nfs/dbraw/zinc/76/39/31/1078763931.db2.gz WTOWMPPYQBJDNQ-SFHVURJKSA-N 0 3 412.534 2.368 50 0 HEAAHN CN1CCCCC[C@H]1C(=O)NCc1cccnc1N1CCN(c2ccccn2)CC1 ZINC000012719032 132366216 /nfs/dbraw/zinc/36/62/16/132366216.db2.gz YQEACOUVNGXZHQ-FQEVSTJZSA-N 0 3 408.550 2.294 50 0 HEAAHN COc1cccc(-c2ccc3nc(C(=O)N4CCN(CCN(C)C)CC4)cn3c2)c1 ZINC000034831050 557466371 /nfs/dbraw/zinc/46/63/71/557466371.db2.gz INDOYHOPSVOFDS-UHFFFAOYSA-N 0 3 407.518 2.329 50 0 HEAAHN O[C@H](CNC[C@@H](O)[C@@H]1CCc2cc(F)ccc2O1)[C@H]1CCc2cc(F)ccc2O1 ZINC000003951631 557503421 /nfs/dbraw/zinc/50/34/21/557503421.db2.gz KOHIRBRYDXPAMZ-YHBROIRLSA-N 0 3 405.441 2.364 50 0 in-vitro HEAAHN Cc1c(CN2CCN(CCC(C)C)[C@@H](CCO)C2)c(=O)n(-c2ccccc2)n1C ZINC000019839384 558293717 /nfs/dbraw/zinc/29/37/17/558293717.db2.gz MKQIRPYCIAOCBR-NRFANRHFSA-N 0 3 400.567 2.399 50 0 HEAAHN COCC(=O)NC[C@@H]1CCC2(CCN(Cc3ccc(OC)c(C)c3OC)CC2)O1 ZINC000011882464 558295537 /nfs/dbraw/zinc/29/55/37/558295537.db2.gz JICRJDMHGXLGHC-SFHVURJKSA-N 0 3 406.523 2.288 50 0 HEAAHN O=C(c1ccc(F)cc1)N1CCC(N[C@H]2CC(=O)N(c3ccc(F)cc3)C2=O)CC1 ZINC000019877393 558299986 /nfs/dbraw/zinc/29/99/86/558299986.db2.gz AEORPUMGHKMWSD-IBGZPJMESA-N 0 3 413.424 2.491 50 0 HEAAHN COCCNc1nc2nonc2nc1NC[C@@H](c1ccc(F)cc1)N1CCCC1 ZINC000012207136 558353122 /nfs/dbraw/zinc/35/31/22/558353122.db2.gz RVRNAWGAPYFFKJ-HNNXBMFYSA-N 0 3 401.446 2.459 50 0 HEAAHN Cc1ccc(CN2CCc3nnc([C@@H](C)NC(=O)C4CCOCC4)n3CC2)s1 ZINC000020326016 558355559 /nfs/dbraw/zinc/35/55/59/558355559.db2.gz ZIJBJRBLGGDNDY-OAHLLOKOSA-N 0 3 403.552 2.310 50 0 HEAAHN CCN(C[C@H]1CCCN(CCc2cccc(OC)c2)C1)C(=O)CN1CCCC1=O ZINC000012297738 558368004 /nfs/dbraw/zinc/36/80/04/558368004.db2.gz GNVFGZSUNAYYDC-FQEVSTJZSA-N 0 3 401.551 2.421 50 0 HEAAHN CCOC[C@@H](O)CNCc1c(C(=O)N(C)CCc2ccccc2)nc2sccn12 ZINC000012306982 558375610 /nfs/dbraw/zinc/37/56/10/558375610.db2.gz IHLUTILRYKFQSZ-KRWDZBQOSA-N 0 3 416.547 2.198 50 0 HEAAHN COc1ccccc1CCN1CCC[C@@H](CN(C)C(=O)c2ccc3c(c2)no[n+]3[O-])C1 ZINC000012439893 558411335 /nfs/dbraw/zinc/41/13/35/558411335.db2.gz NKHIOLJBGQWNFV-KRWDZBQOSA-N 0 3 424.501 2.497 50 0 HEAAHN COc1cc(CNCc2ccccc2F)ccc1OC[C@H](O)CN1CCC(O)CC1 ZINC000012570650 558428725 /nfs/dbraw/zinc/42/87/25/558428725.db2.gz XQDLKMSWXASQAT-HXUWFJFHSA-N 0 3 418.509 2.321 50 0 HEAAHN CCOC(=O)C1C(CN(CC)CC)=NC(=O)N[C@H]1c1ccc(OC)c(COC)c1 ZINC000013960832 558608771 /nfs/dbraw/zinc/60/87/71/558608771.db2.gz WXWKSULAGSVHDH-IBGZPJMESA-N 0 3 405.495 2.355 50 0 HEAAHN O=C1N[C@@H](COCc2ccccc2)C(=O)N2C[C@@H](NCc3ccc(Cl)cc3)C[C@@H]12 ZINC000014532973 558656802 /nfs/dbraw/zinc/65/68/02/558656802.db2.gz AOLDMZKDZJYSHZ-UFYCRDLUSA-N 0 3 413.905 2.114 50 0 HEAAHN COCCCN1C(=O)N(Cc2ccccc2)C(=O)C12CCN([C@@H](C)COC)CC2 ZINC000014543074 558660746 /nfs/dbraw/zinc/66/07/46/558660746.db2.gz NFXVCYIFUCVVJU-SFHVURJKSA-N 0 3 403.523 2.357 50 0 HEAAHN CC(C)CCN1C(=O)N(CCN(C)C)C(=O)C12CCN(Cc1ccccn1)CC2 ZINC000014741772 558667460 /nfs/dbraw/zinc/66/74/60/558667460.db2.gz WUHXGFCTJCVCAB-UHFFFAOYSA-N 0 3 401.555 2.288 50 0 HEAAHN O=C1N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N2C[C@@H](NCc3ccc(F)c(F)c3)C[C@@H]12 ZINC000014746960 558669320 /nfs/dbraw/zinc/66/93/20/558669320.db2.gz GGLPIQKDLMLFOZ-JHVJFLLYSA-N 0 3 424.451 2.246 50 0 HEAAHN CN(C[C@@H]1CCCCN1C)C(=O)c1cc(COc2ccc(-n3cncn3)cc2)on1 ZINC000014947737 558679994 /nfs/dbraw/zinc/67/99/94/558679994.db2.gz AXIUQBMGLJSAEY-KRWDZBQOSA-N 0 3 410.478 2.391 50 0 HEAAHN COc1cccc(CN2CCC[C@](O)(CN3CCN(c4ccccc4)CC3)C2=O)c1 ZINC000015064053 558706652 /nfs/dbraw/zinc/70/66/52/558706652.db2.gz GDTOOVOFJCXQAJ-DEOSSOPVSA-N 0 3 409.530 2.371 50 0 HEAAHN CCN1CCN(CCCNC(=O)[C@@H]2CCCN(c3nc4cccnc4s3)C2)CC1 ZINC000022937561 558725787 /nfs/dbraw/zinc/72/57/87/558725787.db2.gz OFAYKDGGODNERR-QGZVFWFLSA-N 0 3 416.595 2.052 50 0 HEAAHN Cc1nc(N2CCCC2)cc(N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)n1 ZINC000015671250 558748296 /nfs/dbraw/zinc/74/82/96/558748296.db2.gz LYBZYFIAASMYBP-UHFFFAOYSA-N 0 3 405.499 2.035 50 0 HEAAHN COc1ccc(NC(=O)N2CCN(c3cc(N(C)C)nc(C)n3)CC2)c(OC)c1 ZINC000033326764 558766997 /nfs/dbraw/zinc/76/69/97/558766997.db2.gz JERRXUGMRLSUQU-UHFFFAOYSA-N 0 3 400.483 2.222 50 0 HEAAHN C[C@H]1CCCCN1CCNC(=O)COCc1nnc(C(=O)Nc2ccccc2)s1 ZINC000032987682 558807612 /nfs/dbraw/zinc/80/76/12/558807612.db2.gz TTYZVUUQCOFAPW-HNNXBMFYSA-N 0 3 417.535 2.298 50 0 HEAAHN COCCN1CC[C@@H](C(=O)Nc2ccccc2-c2nn3c(C)csc3nc2=O)C1 ZINC000055227542 558876862 /nfs/dbraw/zinc/87/68/62/558876862.db2.gz DDIDTJAGIHVZAB-CQSZACIVSA-N 0 3 413.503 2.033 50 0 HEAAHN CSc1ncc(Cl)c(C(=O)NCc2ccc(N3CCCN(C)CC3)nc2)n1 ZINC000058101268 558898913 /nfs/dbraw/zinc/89/89/13/558898913.db2.gz ZTOMAPMQPORFQD-UHFFFAOYSA-N 0 3 406.943 2.319 50 0 HEAAHN Cc1ccc(CN(CCN(C)C)C(=O)c2cc(S(=O)(=O)N3CCCC3)c(C)o2)o1 ZINC000058129107 558900209 /nfs/dbraw/zinc/90/02/09/558900209.db2.gz ZYUKBYAKYUQASH-UHFFFAOYSA-N 0 3 423.535 2.478 50 0 HEAAHN CC[C@@H](C(=O)NC1CCN(C)CC1)N(c1cc(Cl)ccc1OC)S(C)(=O)=O ZINC000071754813 558909643 /nfs/dbraw/zinc/90/96/43/558909643.db2.gz BEZWJIHSXQTOAK-HNNXBMFYSA-N 0 3 417.959 2.104 50 0 HEAAHN CN1CCCN(c2ccc(CNC(=O)c3cnn(Cc4ccccc4)c3)cn2)CC1 ZINC000058184282 558910411 /nfs/dbraw/zinc/91/04/11/558910411.db2.gz PUEOZJNEAOJDRK-UHFFFAOYSA-N 0 3 404.518 2.398 50 0 HEAAHN COc1ccc(C2=NN(CC(=O)NCCN3[C@H](C)CCC[C@@H]3C)C(=O)CC2)cc1 ZINC000004712521 558917841 /nfs/dbraw/zinc/91/78/41/558917841.db2.gz ZCXVXWVTJZRFLG-CALCHBBNSA-N 0 3 400.523 2.401 50 0 HEAAHN CC(=O)N1CCc2cc(C(=O)NCc3ccc(N4CCCN(C)CC4)nc3)ccc21 ZINC000058393806 558924015 /nfs/dbraw/zinc/92/40/15/558924015.db2.gz FENCMALKCNAACJ-UHFFFAOYSA-N 0 3 407.518 2.063 50 0 HEAAHN C[C@@H]1CN(C)CCCN1C(=O)c1cc(-c2cnn(CCO)c2)nc2ccc(F)cc21 ZINC000063871044 558960548 /nfs/dbraw/zinc/96/05/48/558960548.db2.gz GNFFAJZYQXPKGG-OAHLLOKOSA-N 0 3 411.481 2.396 50 0 HEAAHN CC[C@H](C(=O)NC1CCN(C)CC1)N(c1ccc(F)c(Cl)c1)S(C)(=O)=O ZINC000065364606 558975784 /nfs/dbraw/zinc/97/57/84/558975784.db2.gz JFNHHMBJLQJGIY-MRXNPFEDSA-N 0 3 405.923 2.234 50 0 HEAAHN Cc1nc(N2CCCCC2)cc(N2CCN(S(=O)(=O)Cc3ccccc3)CC2)n1 ZINC000065365706 558976551 /nfs/dbraw/zinc/97/65/51/558976551.db2.gz PGVMCNXUIOENLE-UHFFFAOYSA-N 0 3 415.563 2.427 50 0 HEAAHN CCN1CCN(CCN2CC3(CCN(Cc4ccc(C)cc4)CC3)OC2=O)CC1 ZINC000072432153 558979451 /nfs/dbraw/zinc/97/94/51/558979451.db2.gz HEYLWNQIZCFGPC-UHFFFAOYSA-N 0 3 400.567 2.419 50 0 HEAAHN CN1CCC(NC(=O)[C@@H]2CCCN(S(=O)(=O)Cc3ccc(Cl)cc3)C2)CC1 ZINC000072436832 558980105 /nfs/dbraw/zinc/98/01/05/558980105.db2.gz ZEEYUOLGDVEKDO-MRXNPFEDSA-N 0 3 413.971 2.092 50 0 HEAAHN O=C(CCc1cc2n(n1)CCCNC2)NCC1(c2cccc(F)c2)CCOCC1 ZINC000072470095 558983517 /nfs/dbraw/zinc/98/35/17/558983517.db2.gz UEEJGUFDIFCSJX-UHFFFAOYSA-N 0 3 400.498 2.313 50 0 HEAAHN Cc1nc(N2CCOCC2)cc(N2CCN(C(=O)Nc3ccc(F)cc3F)CC2)n1 ZINC000067613982 558989319 /nfs/dbraw/zinc/98/93/19/558989319.db2.gz DZAQATQCEABYQD-UHFFFAOYSA-N 0 3 418.448 2.254 50 0 HEAAHN CCCCCn1c(=O)[nH]c2cc(C(=O)NCCN3CCCC[C@@H]3C)ccc2c1=O ZINC000004791753 559065582 /nfs/dbraw/zinc/06/55/82/559065582.db2.gz FHTGUCTVOSDWFN-INIZCTEOSA-N 0 3 400.523 2.484 50 0 HEAAHN Cc1ncc(C(=O)N(C[C@H]2CCCO2)CC2CC[NH+](C3CCCC3)CC2)c(=O)[n-]1 ZINC000095500113 559082091 /nfs/dbraw/zinc/08/20/91/559082091.db2.gz YPPKWJWTRDPCAB-LJQANCHMSA-N 0 3 402.539 2.354 50 0 HEAAHN COC(=O)C1CCN(C[C@H](O)COc2cccc(CN3CC=C(C)CC3)c2)CC1 ZINC000095511766 559083988 /nfs/dbraw/zinc/08/39/88/559083988.db2.gz LCIPKSQTXOZUDH-NRFANRHFSA-N 0 3 402.535 2.463 50 0 HEAAHN O=C1C[C@H](NC2CCN(c3ccc(Cl)nn3)CC2)C(=O)N1c1ccc(F)cc1 ZINC000101163759 559143674 /nfs/dbraw/zinc/14/36/74/559143674.db2.gz RCUVCDVVGNIPIR-HNNXBMFYSA-N 0 3 403.845 2.160 50 0 HEAAHN CC(C)c1ccc(CN2CCC[C@@]3(CCN(C(=O)CNS(C)(=O)=O)C3)C2)cc1 ZINC000426436545 559271604 /nfs/dbraw/zinc/27/16/04/559271604.db2.gz KUNSOCNJFCUNTJ-OAQYLSRUSA-N 0 3 407.580 2.174 50 0 HEAAHN Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000062581721 560632101 /nfs/dbraw/zinc/63/21/01/560632101.db2.gz DIMZZKBXXKBDTL-QZTJIDSGSA-N 0 3 407.518 2.411 50 0 HEAAHN CCN1CCN(CCCNC(=O)CCC(=O)N2C[C@@H](C)Oc3ccc(C)cc32)CC1 ZINC000020466108 568610333 /nfs/dbraw/zinc/61/03/33/568610333.db2.gz YWWPYKCJOQGVEY-LJQANCHMSA-N 0 3 416.566 2.033 50 0 HEAAHN CN(CCC[N@H+](C)CCCNC(=O)c1nc2ccccc2c(=O)[n-]1)Cc1ccccc1 ZINC000020760761 568642206 /nfs/dbraw/zinc/64/22/06/568642206.db2.gz ZPFGJOKOZSQUIZ-UHFFFAOYSA-N 0 3 421.545 2.497 50 0 biogenic HEAAHN CN(CCC[N@@H+](C)CCCNC(=O)c1nc2ccccc2c(=O)[n-]1)Cc1ccccc1 ZINC000020760761 568642209 /nfs/dbraw/zinc/64/22/09/568642209.db2.gz ZPFGJOKOZSQUIZ-UHFFFAOYSA-N 0 3 421.545 2.497 50 0 biogenic HEAAHN CN(CCCNC(=O)c1nc2ccccc2c(=O)[n-]1)CCC[N@H+](C)Cc1ccccc1 ZINC000020760761 568642211 /nfs/dbraw/zinc/64/22/11/568642211.db2.gz ZPFGJOKOZSQUIZ-UHFFFAOYSA-N 0 3 421.545 2.497 50 0 biogenic HEAAHN CN(CCCNC(=O)c1nc2ccccc2c(=O)[n-]1)CCC[N@@H+](C)Cc1ccccc1 ZINC000020760761 568642213 /nfs/dbraw/zinc/64/22/13/568642213.db2.gz ZPFGJOKOZSQUIZ-UHFFFAOYSA-N 0 3 421.545 2.497 50 0 biogenic HEAAHN COc1ccc(S(=O)(=O)N2CC(N[C@@H](C)CCc3ccc4c(c3)OCO4)C2)cc1 ZINC000095945437 568663426 /nfs/dbraw/zinc/66/34/26/568663426.db2.gz YSKPLRIQNHBEOH-HNNXBMFYSA-N 0 3 418.515 2.408 50 0 HEAAHN Cn1nnc(-c2ccc(OCC(=O)NC3CCN(Cc4ccccc4)CC3)cc2)n1 ZINC000096231929 568707657 /nfs/dbraw/zinc/70/76/57/568707657.db2.gz LDHOWEWQHXMLAP-UHFFFAOYSA-N 0 3 406.490 2.037 50 0 HEAAHN COC(=O)C1=C(CNC2CCCCC2)NC(=O)N[C@@H]1c1ccc(OC)c(OC)c1 ZINC000057731168 568859168 /nfs/dbraw/zinc/85/91/68/568859168.db2.gz SYUGNINXMYINRI-LJQANCHMSA-N 0 3 403.479 2.407 50 0 HEAAHN Cc1nc2ccc(C(=O)N[C@H]3C4CN5CC3(c3ccccc3)CN(C4)CC5)cc2o1 ZINC000670445973 568909375 /nfs/dbraw/zinc/90/93/75/568909375.db2.gz WMTLCGKCZJWBFR-IGSLEHJCSA-N 0 3 402.498 2.434 50 0 HEAAHN COCCN1C(=O)c2ccccc2[C@H](C(=O)NCCN(C)C)[C@H]1c1ccc(F)cc1 ZINC000003657267 568923097 /nfs/dbraw/zinc/92/30/97/568923097.db2.gz AQSGOOFHJWXOPI-LEWJYISDSA-N 0 3 413.493 2.431 50 0 HEAAHN CCc1nc2c(c(=O)n1CC(=O)NCc1ccco1)CN(Cc1ccccc1)CC2 ZINC000065153497 569187489 /nfs/dbraw/zinc/18/74/89/569187489.db2.gz PMXNOWXKGIUQIV-UHFFFAOYSA-N 0 3 406.486 2.273 50 0 HEAAHN Cc1cccc(-c2nc(SCCN3CCCC3)c3c(=O)n(C)c(=O)n(C)c3n2)c1 ZINC000007392532 569236360 /nfs/dbraw/zinc/23/63/60/569236360.db2.gz JPWQLWRCUHVIRK-UHFFFAOYSA-N 0 3 411.531 2.191 50 0 HEAAHN O=C(NC[C@H](O)c1ccccc1F)[C@H]1CCCN1C1CCN(CC(F)(F)F)CC1 ZINC000089813228 569266401 /nfs/dbraw/zinc/26/64/01/569266401.db2.gz KHDCPGCENDOWTC-MSOLQXFVSA-N 0 3 417.447 2.466 50 0 HEAAHN CCOC(=O)[C@@H]1[C@@H](N[C@@H]2CCN(C(=O)C3CCCC3)C2)CCN1C(=O)OC(C)(C)C ZINC000252506600 569291328 /nfs/dbraw/zinc/29/13/28/569291328.db2.gz WBKXAKZXEATMAC-SQNIBIBYSA-N 0 3 423.554 2.308 50 0 HEAAHN CCn1ccc(C(=O)N2CCC3(CC2)C[C@@H](N2CCN(CC(C)C)CC2)CCO3)n1 ZINC000581819770 569320699 /nfs/dbraw/zinc/32/06/99/569320699.db2.gz JXPHDDGIOPPHEE-FQEVSTJZSA-N 0 3 417.598 2.330 50 0 HEAAHN CCOC(=O)C1C(CN2CCCCCC2)=NC(=O)N[C@H]1c1ccc2c(c1)OCO2 ZINC000054979059 569372975 /nfs/dbraw/zinc/37/29/75/569372975.db2.gz DAEUMICVFIDSQQ-IBGZPJMESA-N 0 3 401.463 2.462 50 0 HEAAHN C[C@@H]1CN(CCCCNC(=O)Nc2cccc(Cn3cccnc3=O)c2)C[C@H](C)O1 ZINC000079064317 569426362 /nfs/dbraw/zinc/42/63/62/569426362.db2.gz NOPHDCGSYIYBMG-HDICACEKSA-N 0 3 413.522 2.303 50 0 HEAAHN Cn1ccc2c1cccc2C(=O)N[C@@H]1C2CN3CC1(c1ccccc1)CN(C2)CC3 ZINC000670473491 571101923 /nfs/dbraw/zinc/10/19/23/571101923.db2.gz HKFIASCYGVXGFG-ZOQSAPLSSA-N 0 3 400.526 2.476 50 0 HEAAHN CCN1CCN(Cc2ccc(CNC(=O)c3ccc(S(C)(=O)=O)cc3)cc2)CC1 ZINC000040115665 571173428 /nfs/dbraw/zinc/17/34/28/571173428.db2.gz VWFZGQPRVSSQIJ-UHFFFAOYSA-N 0 3 415.559 2.158 50 0 HEAAHN COc1ccc([C@H](CNC(=O)Cn2cnc3sccc3c2=O)N2CCCC2)cc1 ZINC000009054268 571216698 /nfs/dbraw/zinc/21/66/98/571216698.db2.gz RUQBBDGPKNQSDX-SFHVURJKSA-N 0 3 412.515 2.420 50 0 HEAAHN CCNC(=O)N1CCC[C@H]1c1noc(CCC(=O)N2CCN(C(CC)CC)CC2)n1 ZINC000581785643 1078764890 /nfs/dbraw/zinc/76/48/90/1078764890.db2.gz KHDZMHQHEMWANO-KRWDZBQOSA-N 0 3 420.558 2.201 50 0 HEAAHN CCCN1CCN(CCCNC(=O)CC2CCN(C(=O)c3ccccc3)CC2)CC1 ZINC000032974116 519857558 /nfs/dbraw/zinc/85/75/58/519857558.db2.gz WVFVKRJWQNSEEE-UHFFFAOYSA-N 0 3 414.594 2.463 50 0 HEAAHN CC[C@@H](CNC(=O)C1CCN(S(=O)(=O)CC)CC1)N1CCc2ccccc2C1 ZINC000032446655 522529807 /nfs/dbraw/zinc/52/98/07/522529807.db2.gz WMZHAQJAOUDGBH-FQEVSTJZSA-N 0 3 407.580 2.001 50 0 HEAAHN CN1CCC(NC(=O)[C@@H]2CCCN(S(=O)(=O)Cc3cccc(Cl)c3)C2)CC1 ZINC000072434080 523774913 /nfs/dbraw/zinc/77/49/13/523774913.db2.gz GTAUUQDCRZTRGY-MRXNPFEDSA-N 0 3 413.971 2.092 50 0 HEAAHN CCOC(=O)[C@@H]1C(=O)N=C(N2CCN(c3ccc(F)cc3)CC2)N[C@@H]1c1ccccc1 ZINC000009340431 535502983 /nfs/dbraw/zinc/50/29/83/535502983.db2.gz TXRKAMCNDJYMPL-VQTJNVASSA-N 0 3 424.476 2.354 50 0 HEAAHN C[C@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)N1CCC2(CC1)NCCc1nc[nH]c12 ZINC000008739212 557803421 /nfs/dbraw/zinc/80/34/21/557803421.db2.gz FQRLMLBNFOIULT-INIZCTEOSA-N 0 3 423.561 2.489 50 0 HEAAHN COc1ccccc1-c1ccnc(-n2ncc(C(=O)N3CC[C@H](N(C)C)C3)c2C)n1 ZINC000011783597 558275452 /nfs/dbraw/zinc/27/54/52/558275452.db2.gz PNEGROOKTSOHQW-INIZCTEOSA-N 0 3 406.490 2.422 50 0 HEAAHN COC[C@H]1CCCN(Cc2c(C(=O)N3CCCN(C)CC3)nc3sccn23)C1 ZINC000019939735 558313694 /nfs/dbraw/zinc/31/36/94/558313694.db2.gz PQNCMUFFKNJQRC-INIZCTEOSA-N 0 3 405.568 2.032 50 0 HEAAHN C[C@@H](CN1CCc2nnc(CCNC(=O)c3cccnc3)n2CC1)c1ccccc1 ZINC000012281164 558365208 /nfs/dbraw/zinc/36/52/08/558365208.db2.gz VCYQNJBIOIHSAV-SFHVURJKSA-N 0 3 404.518 2.307 50 0 HEAAHN Cc1nc(N2CCOCC2)cc(N2CCN(C(=O)c3ccc(Cl)cc3)CC2)n1 ZINC000021793844 558449300 /nfs/dbraw/zinc/44/93/00/558449300.db2.gz ILTZBFNPBQCYPU-UHFFFAOYSA-N 0 3 401.898 2.237 50 0 HEAAHN CCN1CCC[C@@H]1CNC(=O)c1ccc(OC2CCN(C(=O)CCOC)CC2)cc1 ZINC000012704623 558449305 /nfs/dbraw/zinc/44/93/05/558449305.db2.gz GMGDAZXJOPAMQG-LJQANCHMSA-N 0 3 417.550 2.307 50 0 HEAAHN CCCS(=O)(=O)N1CCC[C@H](C(=O)NCCN(Cc2ccccc2)C(C)C)C1 ZINC000004434576 558556785 /nfs/dbraw/zinc/55/67/85/558556785.db2.gz ZHLGRXDFLBUPOK-FQEVSTJZSA-N 0 3 409.596 2.465 50 0 HEAAHN CC[C@H](C)[C@@H]1NC(=O)[C@H]2CN(Cc3ccc(CN4CCCCC4)s3)CCN2C1=O ZINC000014732392 558665743 /nfs/dbraw/zinc/66/57/43/558665743.db2.gz HEXJSOPUKYEBLA-DBVUQKKJSA-N 0 3 418.607 2.291 50 0 HEAAHN CCN1C(=O)N(CCN(C)C)C(=O)C12CCN(Cc1nc3ccccc3s1)CC2 ZINC000014740664 558666809 /nfs/dbraw/zinc/66/68/09/558666809.db2.gz ILZCKWXSOQWTPO-UHFFFAOYSA-N 0 3 415.563 2.477 50 0 HEAAHN COc1cc(CNCc2ccc(F)cc2)ccc1OC[C@@H](O)CN1CCOCC1 ZINC000015068717 558711139 /nfs/dbraw/zinc/71/11/39/558711139.db2.gz FLCAEJHSKQFNQX-FQEVSTJZSA-N 0 3 404.482 2.196 50 0 HEAAHN CCN1CCN(CCCNC(=O)[C@@H]2Cc3ccccc3N2C(=O)c2ccccc2)CC1 ZINC000022937716 558725975 /nfs/dbraw/zinc/72/59/75/558725975.db2.gz KYZSZFMSMCYPKX-QHCPKHFHSA-N 0 3 420.557 2.402 50 0 HEAAHN O=C(CCN1C(=O)COc2ccccc21)NCc1ccccc1CN1CCC(O)CC1 ZINC000072306659 558764875 /nfs/dbraw/zinc/76/48/75/558764875.db2.gz OMHPZVKUZYTGAS-UHFFFAOYSA-N 0 3 423.513 2.075 50 0 HEAAHN Cc1nc(N2CCOCC2)cc(N2CCN(C(=O)Nc3ccc(C)c(F)c3)CC2)n1 ZINC000033326809 558766927 /nfs/dbraw/zinc/76/69/27/558766927.db2.gz COKBHHFVJAHXKG-UHFFFAOYSA-N 0 3 414.485 2.423 50 0 HEAAHN COc1ccc(C(=O)NCCN(C)C)cc1OC1CCN(C(=O)CCSC)CC1 ZINC000019147885 558847021 /nfs/dbraw/zinc/84/70/21/558847021.db2.gz TYSGABKIIWNWPF-UHFFFAOYSA-N 0 3 423.579 2.110 50 0 HEAAHN C[C@H]1CCCN(CCNC(=O)C(=O)Nc2cccc(S(=O)(=O)C3CCCC3)c2)C1 ZINC000057993885 558893237 /nfs/dbraw/zinc/89/32/37/558893237.db2.gz OSOLNDXXEHPFGO-INIZCTEOSA-N 0 3 421.563 2.190 50 0 HEAAHN Cc1nn(C)c2nc(C)c(C(=O)NCc3ccc(N4CCCN(C)CC4)nc3)cc12 ZINC000058100975 558898876 /nfs/dbraw/zinc/89/88/76/558898876.db2.gz MEJFYQGTAGBNMB-UHFFFAOYSA-N 0 3 407.522 2.052 50 0 HEAAHN Cc1ccc(C(=O)N2CCN(c3cc(N4CCN(C)CC4)nc(C)n3)CC2)cc1C ZINC000072115533 558926649 /nfs/dbraw/zinc/92/66/49/558926649.db2.gz SPZRWWOZMNPRQW-UHFFFAOYSA-N 0 3 408.550 2.116 50 0 HEAAHN Cc1cccc(N(CC(=O)NC2CCN(C)CC2)S(=O)(=O)c2ccccc2)c1 ZINC000065362207 558972814 /nfs/dbraw/zinc/97/28/14/558972814.db2.gz MPNSGFFSRFEMMB-UHFFFAOYSA-N 0 3 401.532 2.401 50 0 HEAAHN COc1ccccc1N(CC(=O)NC1CCN(C)CC1)S(=O)(=O)c1ccccc1 ZINC000065364361 558975570 /nfs/dbraw/zinc/97/55/70/558975570.db2.gz GGBQJYOFUWDNIB-UHFFFAOYSA-N 0 3 417.531 2.101 50 0 HEAAHN COc1ccc(CN2CC[C@@](O)(C3CCOCC3)[C@H](C)C2)cc1Cn1cncn1 ZINC000091914598 559074544 /nfs/dbraw/zinc/07/45/44/559074544.db2.gz JMQNTFRAAAKMGY-VGSWGCGISA-N 0 3 400.523 2.335 50 0 HEAAHN O=C(NCc1ccccc1)C1C(=O)N(Cc2ccccc2)C(=O)[C@@H]1C1(O)CCCC1 ZINC000100710410 559259269 /nfs/dbraw/zinc/25/92/69/559259269.db2.gz AZLBELZNTLQDJJ-VQTJNVASSA-N 0 3 406.482 2.409 50 0 HEAAHN O=C(Cn1cc(Br)ccc1=O)NC1CCN(Cc2ccccc2)CC1 ZINC000046028729 568424532 /nfs/dbraw/zinc/42/45/32/568424532.db2.gz ULFSOWGRRCYSMD-UHFFFAOYSA-N 0 3 404.308 2.392 50 0 HEAAHN O=C(Nc1ccc(F)cc1OC(F)F)N1CCC(N[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000095971986 568671751 /nfs/dbraw/zinc/67/17/51/568671751.db2.gz WGWHSXKRKPTHQJ-CYBMUJFWSA-N 0 3 421.441 2.200 50 0 HEAAHN COC(=O)c1sccc1S(=O)(=O)NCC1CCN([C@H]2CCSC2)CC1 ZINC000225573777 568774463 /nfs/dbraw/zinc/77/44/63/568774463.db2.gz QGZDSOQEXVWPIX-ZDUSSCGKSA-N 0 3 404.579 2.031 50 0 HEAAHN CCN1CCN2c3cccc(Cl)c3CC3(C(=O)N(CC)C(=O)N(CC)C3=O)[C@@H]2C1 ZINC000057099744 568824131 /nfs/dbraw/zinc/82/41/31/568824131.db2.gz ORULVQPKGJSAEF-KRWDZBQOSA-N 0 3 418.925 2.224 50 0 HEAAHN COc1cc(CNCc2ccccc2C)ccc1OC[C@@H](O)CN1CCC(O)CC1 ZINC000012471582 568838415 /nfs/dbraw/zinc/83/84/15/568838415.db2.gz KCLLVDDBOMBBBK-QFIPXVFZSA-N 0 3 414.546 2.490 50 0 HEAAHN NC(=O)[C@@H]1CC(C(=O)NC[C@@H]2CCCCN2Cc2ccccc2)=NN1c1ccccc1 ZINC000057991323 568873128 /nfs/dbraw/zinc/87/31/28/568873128.db2.gz ZEHBMWWUZJHNST-UNMCSNQZSA-N 0 3 419.529 2.278 50 0 HEAAHN Cc1ccnn1CCN1CCC(N2C[C@@H](COc3ccc(F)cc3)OCC2=O)CC1 ZINC000299791247 568875867 /nfs/dbraw/zinc/87/58/67/568875867.db2.gz CVOWSINCMNDJOW-NRFANRHFSA-N 0 3 416.497 2.101 50 0 HEAAHN O=C(N[C@H]1C2CN3CC1(c1ccccc1)CN(C2)CC3)c1ccc(C(F)(F)F)nc1 ZINC000670460180 568949037 /nfs/dbraw/zinc/94/90/37/568949037.db2.gz YQNHDCIEVNPXSS-BSLVTKGXSA-N 0 3 416.447 2.398 50 0 HEAAHN COc1ccc(CN(CN2C(=O)NC3(CCN(C)CC3)C2=O)CC(F)(F)F)cc1 ZINC000012787052 568960363 /nfs/dbraw/zinc/96/03/63/568960363.db2.gz GTOGSEJFOPAEHV-UHFFFAOYSA-N 0 3 414.428 2.033 50 0 HEAAHN O=C(CCc1nnc2ccc(NCc3ccc(F)cc3)nn21)NCCN1CCCC1 ZINC000015776501 569000126 /nfs/dbraw/zinc/00/01/26/569000126.db2.gz CMLZWSNIKCQEKZ-UHFFFAOYSA-N 0 3 411.485 2.020 50 0 HEAAHN Cc1nc(N2CCN(C)CC2)cc(N2CCN(C(=O)c3ccccc3Cl)CC2)n1 ZINC000021794594 569008081 /nfs/dbraw/zinc/00/80/81/569008081.db2.gz HRBKDEFJENTICJ-UHFFFAOYSA-N 0 3 414.941 2.153 50 0 HEAAHN CN(C)CCNC(=O)C1CCN(c2nn3cc(-c4ccc(F)cc4)nc3s2)CC1 ZINC000006876762 569048367 /nfs/dbraw/zinc/04/83/67/569048367.db2.gz ARTFOQONUKULHS-UHFFFAOYSA-N 0 3 416.526 2.491 50 0 HEAAHN CCn1c2c(C(=O)Nc3ccc(OC(F)(F)F)cc3)cnn2c(=O)c2c1CCNC2 ZINC000064966196 569137405 /nfs/dbraw/zinc/13/74/05/569137405.db2.gz ZUTJBOOABYSBOT-UHFFFAOYSA-N 0 3 421.379 2.313 50 0 HEAAHN CCOC(=O)[C@@H]1[C@@H](N[C@H]2CCN(C(=O)C3CCCC3)C2)CCN1C(=O)OC(C)(C)C ZINC000252506597 569291305 /nfs/dbraw/zinc/29/13/05/569291305.db2.gz WBKXAKZXEATMAC-BZSNNMDCSA-N 0 3 423.554 2.308 50 0 HEAAHN CC(C)CN1CCN([C@@H]2CCOC3(CCN(C(=O)C4CCOCC4)CC3)C2)CC1 ZINC000581820110 569320924 /nfs/dbraw/zinc/32/09/24/569320924.db2.gz RHJPSXJPWOOAFJ-OAQYLSRUSA-N 0 3 407.599 2.227 50 0 HEAAHN CO[C@@H](C)c1noc(CN2CCCN(CCC(=O)N3CCc4ccccc43)CC2)n1 ZINC000079022041 569424334 /nfs/dbraw/zinc/42/43/34/569424334.db2.gz SZMLVISSRVZBKE-KRWDZBQOSA-N 0 3 413.522 2.264 50 0 HEAAHN CCOc1cc(CNc2ccn(CCN(C)C)n2)ccc1O[C@H](C)C(=O)N(C)C ZINC000079093388 569427103 /nfs/dbraw/zinc/42/71/03/569427103.db2.gz BYGKMLWRDQMBKL-MRXNPFEDSA-N 0 3 403.527 2.311 50 0 HEAAHN CCOc1ccc(-c2cc3c(=O)n(CCC(=O)N4CCCN(C)CC4)ccn3n2)cc1 ZINC000067262528 571061841 /nfs/dbraw/zinc/06/18/41/571061841.db2.gz GPZMTWKXNXNBRS-UHFFFAOYSA-N 0 3 423.517 2.116 50 0 HEAAHN CC(C)[C@@H](NS(=O)(=O)c1cccs1)C(=O)NCCN(C)Cc1ccccc1 ZINC000009528426 571266231 /nfs/dbraw/zinc/26/62/31/571266231.db2.gz ZSMOLEJEXNURTP-GOSISDBHSA-N 0 3 409.577 2.299 50 0 HEAAHN Cc1nn(-c2ccc(C(=O)NCCCN3CCN(C)CC3)cc2)c2c1C(=O)CCC2 ZINC000021163537 571315035 /nfs/dbraw/zinc/31/50/35/571315035.db2.gz QCCRFDGQYJHWMA-UHFFFAOYSA-N 0 3 409.534 2.067 50 0 HEAAHN CCNC(=O)N1CCC[C@@H]1c1noc(CCC(=O)N2CCN(C(CC)CC)CC2)n1 ZINC000581785644 1078764870 /nfs/dbraw/zinc/76/48/70/1078764870.db2.gz KHDZMHQHEMWANO-QGZVFWFLSA-N 0 3 420.558 2.201 50 0 HEAAHN O=C(CN1CCCCCC1)N1CC[C@@H](c2nc(CCOCC3CCOCC3)no2)C1 ZINC000581798088 1078768779 /nfs/dbraw/zinc/76/87/79/1078768779.db2.gz DKNWIUAHBQISGB-LJQANCHMSA-N 0 3 420.554 2.247 50 0 HEAAHN CCN1CCN(CCNC(=O)CN2C(=O)C3(CCCCC3)[C@H]2c2ccccc2)CC1 ZINC000581803872 1078779879 /nfs/dbraw/zinc/77/98/79/1078779879.db2.gz ZIYIZSQCTDEJHA-JOCHJYFZSA-N 0 3 412.578 2.274 50 0 HEAAHN CN1CC2(C[C@@H]1C(=O)N1CCOCC1)CCN(C(=O)c1nccc3ccccc31)CC2 ZINC000581802672 1078772456 /nfs/dbraw/zinc/77/24/56/1078772456.db2.gz MOILPBIZXCMKSG-HXUWFJFHSA-N 0 3 422.529 2.020 50 0 HEAAHN CCN1CCN(CCNC(=O)CC2=C3CCCC[C@H]3N(Cc3ccccc3)C2=O)CC1 ZINC000581792372 1078774973 /nfs/dbraw/zinc/77/49/73/1078774973.db2.gz FKQVDDULUUKEIQ-HSZRJFAPSA-N 0 3 424.589 2.412 50 0 HEAAHN CCN1CCC[C@@H]1CN(CCC(=O)N1CCNCC1)C(=O)c1ccc(Cl)cc1 ZINC000045966790 521633398 /nfs/dbraw/zinc/63/33/98/521633398.db2.gz QRAVIBINIPEXNG-LJQANCHMSA-N 0 3 406.958 2.088 50 0 HEAAHN Cc1ccccc1C(=O)Nc1nc(C(=O)N2CCN(CCN(C)C)CC2)cs1 ZINC000040355415 525065168 /nfs/dbraw/zinc/06/51/68/525065168.db2.gz WEZNPMWSGCPVDI-UHFFFAOYSA-N 0 3 401.536 2.023 50 0 HEAAHN O=C(CCN1C(=O)NC2(CCCCC2)C1=O)NCCCN1CCc2ccccc2C1 ZINC000032400507 526479206 /nfs/dbraw/zinc/47/92/06/526479206.db2.gz OQIGMBPIVDWGPJ-UHFFFAOYSA-N 0 3 412.534 2.196 50 0 HEAAHN CN(C)CCNC(=O)c1csc(CN2CCN(c3cccc(Cl)c3)CC2)n1 ZINC000034669052 557362707 /nfs/dbraw/zinc/36/27/07/557362707.db2.gz MRIIHIQCZRPKPG-UHFFFAOYSA-N 0 3 407.971 2.410 50 0 HEAAHN Cc1cc(Cl)cc(Br)c1OC[C@@H](O)CN1CCC(C(N)=O)CC1 ZINC000004324459 557541657 /nfs/dbraw/zinc/54/16/57/557541657.db2.gz CWEUAOIUQXXEJP-ZDUSSCGKSA-N 0 3 405.720 2.348 50 0 HEAAHN COc1ccc(CN(C)Cc2cnccn2)cc1OC[C@@H](O)CN1CCCCC1 ZINC000011753936 558272783 /nfs/dbraw/zinc/27/27/83/558272783.db2.gz ZZNTUOOQRLEJED-FQEVSTJZSA-N 0 3 400.523 2.343 50 0 HEAAHN COc1cc(CNCc2cccnc2)ccc1OC[C@H](O)CN1CCSCC1 ZINC000011820695 558283901 /nfs/dbraw/zinc/28/39/01/558283901.db2.gz OLYSEOQAQIKWMD-LJQANCHMSA-N 0 3 403.548 2.169 50 0 HEAAHN COc1cc(C)c(CN2CCc3nnc(CNC(=O)c4ccccn4)n3CC2)cc1C ZINC000019885281 558302170 /nfs/dbraw/zinc/30/21/70/558302170.db2.gz HOUZWBRFDTVFFR-UHFFFAOYSA-N 0 3 420.517 2.287 50 0 HEAAHN CCOC(=O)[C@H]1C(=O)N=C(N2CCN(Cc3ccccc3)CC2)N[C@@H]1c1ccccc1 ZINC000019899522 558304877 /nfs/dbraw/zinc/30/48/77/558304877.db2.gz ZRXWWPWDHIPZAG-NHCUHLMSSA-N 0 3 420.513 2.211 50 0 HEAAHN COCCOC1CCN(Cc2ccccc2OC[C@H](O)CN2CCSCC2)CC1 ZINC000012051289 558314167 /nfs/dbraw/zinc/31/41/67/558314167.db2.gz OVVSTDDCAAUIOP-HXUWFJFHSA-N 0 3 424.607 2.103 50 0 HEAAHN COc1ccc(CN2CCC(n3nccc3NC(C)=O)CC2)cc1Cn1cncn1 ZINC000012055777 558315918 /nfs/dbraw/zinc/31/59/18/558315918.db2.gz AHCRVDBDOMBLLR-UHFFFAOYSA-N 0 3 409.494 2.327 50 0 HEAAHN CCN1CCN(CCOCCOc2ccc(I)cc2)CC1 ZINC000020406270 558360170 /nfs/dbraw/zinc/36/01/70/558360170.db2.gz HSYXVTIOUZWKIV-UHFFFAOYSA-N 0 3 404.292 2.324 50 0 HEAAHN Cn1c(=O)c2c(SCCN3CCCC3)nc(-c3ccccc3F)nc2n(C)c1=O ZINC000004341377 558424961 /nfs/dbraw/zinc/42/49/61/558424961.db2.gz HIORXGZRSXFUAV-UHFFFAOYSA-N 0 3 415.494 2.021 50 0 HEAAHN O=C1N(Cc2ccc(F)c(F)c2)CCC[C@]1(O)CN1CCN(C2CCCC2)CC1 ZINC000020993914 558426438 /nfs/dbraw/zinc/42/64/38/558426438.db2.gz UKRNFLWJYRVAIR-QFIPXVFZSA-N 0 3 407.505 2.379 50 0 HEAAHN COc1ccc(CN(C)Cc2ccc(C)o2)cc1OC[C@@H](O)CN1CCN(C)CC1 ZINC000020999001 558427731 /nfs/dbraw/zinc/42/77/31/558427731.db2.gz RQFWKNXVWFBYGU-FQEVSTJZSA-N 0 3 417.550 2.216 50 0 HEAAHN COc1ccc([C@@H](CNC[C@H](O)COc2ccc(C)cc2)N2CCOCC2)cc1 ZINC000022038264 558459448 /nfs/dbraw/zinc/45/94/48/558459448.db2.gz OXBVTFZPCZPEAI-NZQKXSOJSA-N 0 3 400.519 2.406 50 0 HEAAHN COc1ccc(CN2CCN(CCC(C)C)[C@@H](CCO)C2)cc1Cn1cncn1 ZINC000022932845 558525276 /nfs/dbraw/zinc/52/52/76/558525276.db2.gz RACWOMFJTAVWMV-NRFANRHFSA-N 0 3 401.555 2.250 50 0 HEAAHN O=C(NCCc1nnc2n1CCN(Cc1ccc3ncccc3c1)CC2)C1CCC1 ZINC000014887471 558677849 /nfs/dbraw/zinc/67/78/49/558677849.db2.gz MAHXDDASJFQDEQ-UHFFFAOYSA-N 0 3 404.518 2.343 50 0 HEAAHN CCOC(=O)C1=C(N)Oc2cc(C)n(CCN(C)C)c(=O)c2[C@H]1c1ccccc1F ZINC000004570640 558742799 /nfs/dbraw/zinc/74/27/99/558742799.db2.gz YJWQSLMCWMFPNM-QGZVFWFLSA-N 0 3 415.465 2.115 50 0 HEAAHN O=C(CCN(CCN1CCCCC1)C(=O)c1ccc(Cl)cc1)N1CCNCC1 ZINC000035422061 558791840 /nfs/dbraw/zinc/79/18/40/558791840.db2.gz TWYUWCJTCIDCNU-UHFFFAOYSA-N 0 3 406.958 2.090 50 0 HEAAHN COc1cccc(CN(C)CCC2CCOCC2)c1OC[C@@H](O)CN1CCOCC1 ZINC000039353964 558820190 /nfs/dbraw/zinc/82/01/90/558820190.db2.gz XYTLGQKJYINABY-NRFANRHFSA-N 0 3 422.566 2.016 50 0 HEAAHN C[C@H]1CCCCN1CCN(CC(=O)N1CCNCC1)C(=O)c1ccc(Cl)cc1 ZINC000033032735 558856989 /nfs/dbraw/zinc/85/69/89/558856989.db2.gz AXPBGYJHESRKPZ-KRWDZBQOSA-N 0 3 406.958 2.088 50 0 HEAAHN CCOC(=O)c1c2c(sc1NC(=O)CN1CCN(C)CC1)C(C)(C)NC(C)(C)C2 ZINC000022037439 558985568 /nfs/dbraw/zinc/98/55/68/558985568.db2.gz JECVBRUYUSLWPR-UHFFFAOYSA-N 0 3 422.595 2.270 50 0 HEAAHN C[C@H](CC(=O)Nc1cccc(C(F)(F)F)c1)NC[C@@H](Cc1cnn(C)c1)C(N)=O ZINC000097139555 558996801 /nfs/dbraw/zinc/99/68/01/558996801.db2.gz QITJCDXIIJWWHG-TZMCWYRMSA-N 0 3 411.428 2.090 50 0 HEAAHN CC(C)N1CCN(CCCN2CC3(CCN(C(=O)C4(C)CC4)CC3)OC2=O)CC1 ZINC000077287099 559000404 /nfs/dbraw/zinc/00/04/04/559000404.db2.gz YMPWAELCSBRGRV-UHFFFAOYSA-N 0 3 406.571 2.016 50 0 HEAAHN NC(=O)c1ccc2[nH]c(CN3CCC[C@]4(C3)c3ccccc3NC4=O)cc(=O)c2c1 ZINC000091645186 559072611 /nfs/dbraw/zinc/07/26/11/559072611.db2.gz HGTUHCPEBNRZCJ-QHCPKHFHSA-N 0 3 402.454 2.113 50 0 HEAAHN C[C@@H]1CN(C[C@@H]2CN(Cc3c[nH]nc3-c3cccc(F)c3)C[C@@H]2CO)C[C@H](C)O1 ZINC000095388454 559080879 /nfs/dbraw/zinc/08/08/79/559080879.db2.gz OYJBYSGDPYSHOJ-WOUAJJJCSA-N 0 3 402.514 2.365 50 0 HEAAHN COc1ccc(C(=O)N[C@H](C)Cn2cncn2)cc1OC1CCN(C(C)C)CC1 ZINC000095498723 559081967 /nfs/dbraw/zinc/08/19/67/559081967.db2.gz GEFNPKJGTYDRBW-MRXNPFEDSA-N 0 3 401.511 2.357 50 0 HEAAHN COC(=O)C1CCN(C[C@@H](O)COc2cccc(CN3CC=C(C)CC3)c2)CC1 ZINC000095511765 559083952 /nfs/dbraw/zinc/08/39/52/559083952.db2.gz LCIPKSQTXOZUDH-OAQYLSRUSA-N 0 3 402.535 2.463 50 0 HEAAHN COc1ccc(CN(C)Cc2nccn2C)cc1OC[C@@H](O)CN1CCCCC1 ZINC000095529066 559086494 /nfs/dbraw/zinc/08/64/94/559086494.db2.gz ZDIYEPLFXZUPKY-IBGZPJMESA-N 0 3 402.539 2.286 50 0 HEAAHN CC(=O)c1ccc(NC(=O)CSc2nc(=O)n(CCN(C)C)c3c2CCC3)cc1 ZINC000004851681 559191214 /nfs/dbraw/zinc/19/12/14/559191214.db2.gz DUEPZCMRDQTGAW-UHFFFAOYSA-N 0 3 414.531 2.227 50 0 HEAAHN O=c1occ(C[NH+]2CCCCCC2)c([O-])c1CN1CCN(C2CCOCC2)CC1 ZINC000101373660 560793476 /nfs/dbraw/zinc/79/34/76/560793476.db2.gz SBYUXGGRFDJVNP-UHFFFAOYSA-N 0 3 405.539 2.018 50 0 HEAAHN CCN1CCN(Cc2ccc(NC(=O)[C@H]3CC(=O)N(CC(F)(F)F)C3)cc2)CC1 ZINC000107589948 560896924 /nfs/dbraw/zinc/89/69/24/560896924.db2.gz CLZNBGHYMTXBOZ-INIZCTEOSA-N 0 3 412.456 2.173 50 0 HEAAHN NC(=O)[C@H]1CC(C(=O)NC[C@@H]2CCCCN2Cc2ccccc2)=NN1c1ccccc1 ZINC000109050143 568420952 /nfs/dbraw/zinc/42/09/52/568420952.db2.gz ZEHBMWWUZJHNST-RBBKRZOGSA-N 0 3 419.529 2.278 50 0 HEAAHN O=C(Cn1cc(Br)ccc1=O)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000048300027 568437251 /nfs/dbraw/zinc/43/72/51/568437251.db2.gz PTNJPCIQRHHZPL-QGZVFWFLSA-N 0 3 404.308 2.392 50 0 HEAAHN CCN1CCN(Cc2ccc(CNC(=O)Cc3ccc4c(c3)OCCO4)cc2)CC1 ZINC000048843691 568443497 /nfs/dbraw/zinc/44/34/97/568443497.db2.gz BVVWDPDHZULIPO-UHFFFAOYSA-N 0 3 409.530 2.454 50 0 HEAAHN Cc1ccc(S(=O)(=O)NCCC(=O)NCc2ccc(CN(C)C)cc2)cc1C ZINC000008431137 568500979 /nfs/dbraw/zinc/50/09/79/568500979.db2.gz ONDOFNRFXDGFCH-UHFFFAOYSA-N 0 3 403.548 2.350 50 0 HEAAHN CCOC(=O)C1=C(CN2CCN([C@H](C)CC)CC2)NC(=O)N[C@@H]1c1ccccc1 ZINC000020284058 568596889 /nfs/dbraw/zinc/59/68/89/568596889.db2.gz RLQHEAKHHIFDLV-OXQOHEQNSA-N 0 3 400.523 2.274 50 0 HEAAHN CCOC(=O)C1C(CN2CCN([C@H](C)CC)CC2)=NC(=O)N[C@@H]1c1ccccc1 ZINC000020284058 568596890 /nfs/dbraw/zinc/59/68/90/568596890.db2.gz RLQHEAKHHIFDLV-OXQOHEQNSA-N 0 3 400.523 2.274 50 0 HEAAHN CCN1CCN(CCNC(=O)c2ccc(C[S@@](=O)c3ccccc3C)o2)CC1 ZINC000020514653 568622422 /nfs/dbraw/zinc/62/24/22/568622422.db2.gz KGMFOCBEUNCUGW-NDEPHWFRSA-N 0 3 403.548 2.263 50 0 HEAAHN CN1CCN(CCCNC(=O)c2cnn(-c3cccc(F)c3)c2-n2cccc2)CC1 ZINC000020980616 568654538 /nfs/dbraw/zinc/65/45/38/568654538.db2.gz WSYCGIFGIXMOAL-UHFFFAOYSA-N 0 3 410.497 2.169 50 0 HEAAHN C[C@H](CNCCS(=O)(=O)N1CCN(c2ccccn2)CC1)Cc1ccccc1 ZINC000096013617 568685381 /nfs/dbraw/zinc/68/53/81/568685381.db2.gz PKKLOEZGSQXPHV-IBGZPJMESA-N 0 3 402.564 2.002 50 0 HEAAHN O=C(c1cc(-c2cccs2)[nH]n1)N1CCCN([C@@H]2CCN(CC3CC3)C2=O)CC1 ZINC000097078007 568767603 /nfs/dbraw/zinc/76/76/03/568767603.db2.gz MTLFTMCRNVGAOG-GOSISDBHSA-N 0 3 413.547 2.297 50 0 HEAAHN Cc1ccn(CCN2CCC(N3C[C@H](COc4ccc(F)cc4)OCC3=O)CC2)n1 ZINC000299760275 568873050 /nfs/dbraw/zinc/87/30/50/568873050.db2.gz IRHRLTNENBIIBT-OAQYLSRUSA-N 0 3 416.497 2.101 50 0 HEAAHN O=c1c(CNCCn2cncn2)cc2cc3c(cc2n1Cc1cccc(F)c1)OCO3 ZINC000299767432 568873954 /nfs/dbraw/zinc/87/39/54/568873954.db2.gz RQAWFFORAVAPNN-UHFFFAOYSA-N 0 3 421.432 2.299 50 0 HEAAHN O=C(c1cn2cc(Cl)ccc2n1)N1CCC(=O)N(CCN2CCCCC2)CC1 ZINC000299769590 568874136 /nfs/dbraw/zinc/87/41/36/568874136.db2.gz OAPXWXJKRKHVFG-UHFFFAOYSA-N 0 3 403.914 2.148 50 0 HEAAHN O=C(NC[C@H]1CN(C2CCN(C3CCC3)CC2)C(=O)CO1)c1ccccc1Cl ZINC000299786825 568875528 /nfs/dbraw/zinc/87/55/28/568875528.db2.gz NXPFSKZYBRQFDY-KRWDZBQOSA-N 0 3 405.926 2.314 50 0 HEAAHN COCCN1C[C@@H](CN2CCC(O)(c3cccc(C(F)(F)F)c3)CC2)CC1=O ZINC000299791164 568875877 /nfs/dbraw/zinc/87/58/77/568875877.db2.gz CRVVCLUPSYLSPB-OAHLLOKOSA-N 0 3 400.441 2.484 50 0 HEAAHN CS(=O)(=O)c1ccc(C2(C(=O)NCCN3CCCC[C@H]3CO)CCCCC2)cc1 ZINC000670439268 568882755 /nfs/dbraw/zinc/88/27/55/568882755.db2.gz PPEQLDZZSORWBK-IBGZPJMESA-N 0 3 422.591 2.255 50 0 HEAAHN O=C(N[C@@H]1C2CN3CC1(c1ccccc1)CN(C2)CC3)c1cccc(-c2ncc[nH]2)c1 ZINC000670455393 568931485 /nfs/dbraw/zinc/93/14/85/568931485.db2.gz RLFXILMSMGNZCJ-YAQMXYOYSA-N 0 3 413.525 2.374 50 0 HEAAHN C[C@@H]1CN(c2ccc(NC(=O)N3C[C@H](O)[C@@H](N4CCCC4)C3)cc2F)C[C@H](C)O1 ZINC000229363897 569040474 /nfs/dbraw/zinc/04/04/74/569040474.db2.gz QKVXCZMZKRMMMU-VZJWBNGJSA-N 0 3 406.502 2.112 50 0 HEAAHN CCc1ccc([C@@H](CNC(=O)c2cc(S(=O)(=O)NC)ccc2C)N(C)C)cc1 ZINC000013015651 569050874 /nfs/dbraw/zinc/05/08/74/569050874.db2.gz CWKKTMFWTUIZEN-HXUWFJFHSA-N 0 3 403.548 2.498 50 0 HEAAHN CN1CCN(c2ccccc2NC(=O)N2CCCC[C@@H](N3CCN(C)CC3)C2)CC1 ZINC000089382795 569058780 /nfs/dbraw/zinc/05/87/80/569058780.db2.gz QTRVALKNWRMIJX-HXUWFJFHSA-N 0 3 414.598 2.072 50 0 HEAAHN CN1CCN(CCCNC(=O)c2ccn3c(c2)nnc3-c2cccc(Cl)c2)CC1 ZINC000064459964 569063065 /nfs/dbraw/zinc/06/30/65/569063065.db2.gz MBHXIUKTXXDKMV-UHFFFAOYSA-N 0 3 412.925 2.417 50 0 HEAAHN COc1ccc(/C=C(/NC(=O)c2ccc(C)cc2)C(=O)NCCN(C)C)cc1OC ZINC000027018237 569070424 /nfs/dbraw/zinc/07/04/24/569070424.db2.gz DKYYAJRAWBFMIK-XMHGGMMESA-N 0 3 411.502 2.461 50 0 HEAAHN COCCN(CCC(=O)NCCN(C)C)C(=O)c1cc(-c2cc(C)ccc2C)on1 ZINC000036015392 569076559 /nfs/dbraw/zinc/07/65/59/569076559.db2.gz ISTNXWPWNZVQAO-UHFFFAOYSA-N 0 3 416.522 2.115 50 0 HEAAHN COc1cccc(-c2nc3cnccn3c2NCCC(=O)NC2CCN(C)CC2)c1 ZINC000064759195 569090588 /nfs/dbraw/zinc/09/05/88/569090588.db2.gz NLWNTZIFVBJNNG-UHFFFAOYSA-N 0 3 408.506 2.417 50 0 HEAAHN Cc1c2c(nn1-c1ccccc1)c(=O)n(CC(=O)NCCN1CCCC[C@H]1C)nc2C ZINC000006943729 569186951 /nfs/dbraw/zinc/18/69/51/569186951.db2.gz YTRRBOPLEJVXIL-MRXNPFEDSA-N 0 3 422.533 2.190 50 0 HEAAHN CCOC(=O)N1CCN(C(=O)c2cccnc2N2CCN[C@H](c3ccccc3)C2)CC1 ZINC000065255746 569207922 /nfs/dbraw/zinc/20/79/22/569207922.db2.gz DSWYDQNWRUOSOZ-FQEVSTJZSA-N 0 3 423.517 2.147 50 0 HEAAHN Cc1c(C)c(C)c(S(=O)(=O)NCCC(=O)N(C)CCN(C)C2CC2)c(C)c1C ZINC000170598376 569242394 /nfs/dbraw/zinc/24/23/94/569242394.db2.gz RKBZHTDXGSMKOP-UHFFFAOYSA-N 0 3 409.596 2.450 50 0 HEAAHN Cc1cc(C)n(CCC(=O)N2C[C@@H](c3nc(C4CC4)no3)C3(C2)CCN(C)CC3)n1 ZINC000097086969 569279598 /nfs/dbraw/zinc/27/95/98/569279598.db2.gz QAYMMUQMORCESF-SFHVURJKSA-N 0 3 412.538 2.488 50 0 HEAAHN CC(C)c1ccc(NC(=O)[C@H](C)NC(=O)C2CCN(C(=O)[C@@H](N)C(C)C)CC2)cc1 ZINC000002131908 569287172 /nfs/dbraw/zinc/28/71/72/569287172.db2.gz OQGAUEAFOSLNDR-JXFKEZNVSA-N 0 3 416.566 2.475 50 0 biogenic HEAAHN O=C(C[C@H]1NC(=O)N(Cc2ccccc2)C1=O)NC1CCN(Cc2ccccc2)CC1 ZINC000252539875 569293323 /nfs/dbraw/zinc/29/33/23/569293323.db2.gz OPJCKHVDTAHVAZ-OAQYLSRUSA-N 0 3 420.513 2.482 50 0 HEAAHN CN(C)[C@H](CNC(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl)Cc1ccccc1 ZINC000007683563 569300547 /nfs/dbraw/zinc/30/05/47/569300547.db2.gz VUBOAJSBIILNOJ-INIZCTEOSA-N 0 3 423.966 2.493 50 0 HEAAHN CCn1nccc1C(=O)N1CCC2(CC1)C[C@@H](N1CCN(C(C)C)CC1)CCO2 ZINC000581820207 569321051 /nfs/dbraw/zinc/32/10/51/569321051.db2.gz XYJUJOBKWSITEC-IBGZPJMESA-N 0 3 403.571 2.083 50 0 HEAAHN COC(=O)c1[nH]c2ccc(F)cc2c1NC(=O)CCN1CCC2(CC1)OCCO2 ZINC000002261687 569325306 /nfs/dbraw/zinc/32/53/06/569325306.db2.gz ADHUVMWOLLHDOM-UHFFFAOYSA-N 0 3 405.426 2.261 50 0 HEAAHN CCOc1ccc(C[N@@H+]2CCc3nc(N4CCOCC4)[n-]c(=O)c3CC2)cc1OC ZINC000019533910 569326837 /nfs/dbraw/zinc/32/68/37/569326837.db2.gz CBMKUZXVKYNYMU-UHFFFAOYSA-N 0 3 414.506 2.027 50 0 HEAAHN CCOc1ccc(C[N@H+]2CCc3nc(N4CCOCC4)[n-]c(=O)c3CC2)cc1OC ZINC000019533910 569326838 /nfs/dbraw/zinc/32/68/38/569326838.db2.gz CBMKUZXVKYNYMU-UHFFFAOYSA-N 0 3 414.506 2.027 50 0 HEAAHN CCN1CCC[C@H]1CNC(=O)C(=O)Nc1ccccc1C(=O)NCCc1ccccc1 ZINC000009482290 571262168 /nfs/dbraw/zinc/26/21/68/571262168.db2.gz NLIDYBIGTXEDPV-IBGZPJMESA-N 0 3 422.529 2.198 50 0 HEAAHN NC(=O)C1(N2CCCCC2)CCN(C(=O)c2[nH]nc3c2CCc2ccccc2-3)CC1 ZINC000009728146 571282688 /nfs/dbraw/zinc/28/26/88/571282688.db2.gz FAJUEZQQYYALQC-UHFFFAOYSA-N 0 3 407.518 2.121 50 0 HEAAHN NC(=O)C1(N2CCCCC2)CCN(C(=O)c2n[nH]c3c2CCc2ccccc2-3)CC1 ZINC000009728146 571282690 /nfs/dbraw/zinc/28/26/90/571282690.db2.gz FAJUEZQQYYALQC-UHFFFAOYSA-N 0 3 407.518 2.121 50 0 HEAAHN O=C(CCc1nc2ccccc2[nH]1)N1CCC2(CC1)C[C@H](N1CCOCC1)CCO2 ZINC000581784013 1078763936 /nfs/dbraw/zinc/76/39/36/1078763936.db2.gz WTOWMPPYQBJDNQ-GOSISDBHSA-N 0 3 412.534 2.368 50 0 HEAAHN CN1CC2(C[C@H]1C(=O)N1CCOCC1)CCN(C(=O)Nc1ccccc1F)CC2 ZINC000581802263 1078771692 /nfs/dbraw/zinc/77/16/92/1078771692.db2.gz CPJBHUKDMLFPRP-SFHVURJKSA-N 0 3 404.486 2.003 50 0 HEAAHN COCCO[C@H]1CN(C2CCN(C(=O)c3cc(C)n(C)n3)CC2)C12CCCCC2 ZINC000581802465 1078772479 /nfs/dbraw/zinc/77/24/79/1078772479.db2.gz KPSDMTXPZKXBIS-FQEVSTJZSA-N 0 3 404.555 2.383 50 0 HEAAHN CN1CCN(CCCNC(=O)CC2=C3CCCC[C@@H]3N(Cc3ccccc3)C2=O)CC1 ZINC000581793362 1078776160 /nfs/dbraw/zinc/77/61/60/1078776160.db2.gz XAUIMIOWWGOFLB-QHCPKHFHSA-N 0 3 424.589 2.412 50 0 HEAAHN CN(C)C(=O)c1ccc(N2CCC(N3CCCN(c4ncccn4)CC3)CC2)cc1 ZINC000011790346 132350766 /nfs/dbraw/zinc/35/07/66/132350766.db2.gz IIUBKNRKKUSCQL-UHFFFAOYSA-N 0 3 408.550 2.360 50 0 HEAAHN CCCn1c(=O)[nH]c(=O)c2cc(C(=O)NC[C@H](c3ccc(CC)cc3)N(C)C)cnc21 ZINC000032734773 521614847 /nfs/dbraw/zinc/61/48/47/521614847.db2.gz KYFZRHAYDKPZND-LJQANCHMSA-N 0 3 423.517 2.090 50 0 HEAAHN CCN1CCN(CCCNC(=O)CC2CCN(C(=O)C3CCCCC3)CC2)CC1 ZINC000032974387 521679508 /nfs/dbraw/zinc/67/95/08/521679508.db2.gz VMPSLCNLENBVBL-UHFFFAOYSA-N 0 3 406.615 2.339 50 0 HEAAHN CCN1CCN(CCCNC(=O)c2ccc(I)cc2)CC1 ZINC000041443470 521681533 /nfs/dbraw/zinc/68/15/33/521681533.db2.gz VBEMQGHMDUZARN-UHFFFAOYSA-N 0 3 401.292 2.049 50 0 HEAAHN COc1ccc(CNCc2cccc(C)c2)cc1OC[C@H](O)CN1CCN(C)CC1 ZINC000020598639 524072990 /nfs/dbraw/zinc/07/29/90/524072990.db2.gz OMAPSWSXOMQXQS-JOCHJYFZSA-N 0 3 413.562 2.281 50 0 HEAAHN C[C@H]1NC(C(=O)NC2CCN(Cc3ccccc3)CC2)=NN(c2ccccc2)C1=O ZINC000032655464 525007886 /nfs/dbraw/zinc/00/78/86/525007886.db2.gz PROZCSZSWXDMTO-QGZVFWFLSA-N 0 3 405.502 2.106 50 0 HEAAHN CN(C)Cc1ccccc1CNC(=O)c1ccc2c(c1)CCCN2S(C)(=O)=O ZINC000009917360 536048374 /nfs/dbraw/zinc/04/83/74/536048374.db2.gz YMDTUYRHLNFZSI-UHFFFAOYSA-N 0 3 401.532 2.390 50 0 HEAAHN CCn1cc(CNC2CCN(c3ccc(C(=O)N4CCC[C@@H](O)C4)cc3)CC2)cn1 ZINC000011786002 536070385 /nfs/dbraw/zinc/07/03/85/536070385.db2.gz FEARHQGXYFMNNG-JOCHJYFZSA-N 0 3 411.550 2.259 50 0 HEAAHN O[C@H](CNC[C@H](O)[C@@H]1CCc2cc(F)ccc2O1)[C@@H]1CCc2cc(F)ccc2O1 ZINC000004213946 557529186 /nfs/dbraw/zinc/52/91/86/557529186.db2.gz KOHIRBRYDXPAMZ-UDKICSLYSA-N 0 3 405.441 2.364 50 0 fda HEAAHN COc1ccc(CCN(C)[C@@H]2CCCN(C(=O)C3=C(C)OCCO3)C2)cc1OC ZINC000011762943 558273663 /nfs/dbraw/zinc/27/36/63/558273663.db2.gz QBMFZALGAXZALU-GOSISDBHSA-N 0 3 404.507 2.447 50 0 HEAAHN CCN1CCN(C[C@@H](O)COc2cccc(CNCc3cccc(OC)c3)c2)CC1 ZINC000019841151 558294165 /nfs/dbraw/zinc/29/41/65/558294165.db2.gz ROZPEQHZIPAKEX-JOCHJYFZSA-N 0 3 413.562 2.362 50 0 HEAAHN COCC(=O)Nc1cc2nc(C3CCC3)n(C)c2c(C(=O)N2CC[C@@H](N(C)C)C2)c1 ZINC000011911534 558296864 /nfs/dbraw/zinc/29/68/64/558296864.db2.gz USDHNGNERPWZBT-MRXNPFEDSA-N 0 3 413.522 2.202 50 0 HEAAHN CCN(C[C@@H]1CCCN(CCc2cccc(F)c2)C1)C(=O)CN1CCC(O)CC1 ZINC000011996695 558306934 /nfs/dbraw/zinc/30/69/34/558306934.db2.gz UZBTXGNANGUCPF-HXUWFJFHSA-N 0 3 405.558 2.385 50 0 HEAAHN CN(C)CCN(C)C(=O)c1cccc(OC2CCN(C(=O)c3cscn3)CC2)c1 ZINC000012112010 558326355 /nfs/dbraw/zinc/32/63/55/558326355.db2.gz YIOMWUXXOWCSDT-UHFFFAOYSA-N 0 3 416.547 2.460 50 0 HEAAHN Cc1nc(N2CCOCC2)cc(N2CCN(C(=O)c3ccccc3Cl)CC2)n1 ZINC000021793836 558449245 /nfs/dbraw/zinc/44/92/45/558449245.db2.gz FMYUYSRZBXFQQN-UHFFFAOYSA-N 0 3 401.898 2.237 50 0 HEAAHN CCOC(=O)N1CCN(Cc2ccc(OC[C@@H](O)CN3CCCCC3)cc2)CC1 ZINC000012725578 558457176 /nfs/dbraw/zinc/45/71/76/558457176.db2.gz GHTYYFHWUZRTGZ-FQEVSTJZSA-N 0 3 405.539 2.186 50 0 HEAAHN CCOC(=O)N1CCN(Cc2ccc(OC[C@H](O)CN3CCCCC3)cc2)CC1 ZINC000012725580 558457201 /nfs/dbraw/zinc/45/72/01/558457201.db2.gz GHTYYFHWUZRTGZ-HXUWFJFHSA-N 0 3 405.539 2.186 50 0 HEAAHN O=C(CCn1c(=O)[nH]c(=O)c2ccccc21)NC[C@H](c1cccs1)N1CCCC1 ZINC000012938159 558486865 /nfs/dbraw/zinc/48/68/65/558486865.db2.gz DOLJJAJHUNBOIQ-QGZVFWFLSA-N 0 3 412.515 2.095 50 0 HEAAHN CCOC(=O)c1ccc(N2C(=O)C[C@@H](N3CCN(C4CCCCC4)CC3)C2=O)cc1 ZINC000022938860 558527789 /nfs/dbraw/zinc/52/77/89/558527789.db2.gz GOAAUPBHWVHEHC-HXUWFJFHSA-N 0 3 413.518 2.446 50 0 HEAAHN CN(C)CCSc1nc(-c2ccc(Cl)cc2)nc2c1c(=O)n(C)c(=O)n2C ZINC000013732698 558587192 /nfs/dbraw/zinc/58/71/92/558587192.db2.gz USGPMLYAZPFTMX-UHFFFAOYSA-N 0 3 405.911 2.001 50 0 HEAAHN COCCN1C(=O)N(Cc2ccccc2)C2(CCN(Cc3cnc(C)[nH]3)CC2)C1=O ZINC000014744051 558668236 /nfs/dbraw/zinc/66/82/36/558668236.db2.gz XGSLNKMYDOGFTK-UHFFFAOYSA-N 0 3 411.506 2.164 50 0 HEAAHN Cc1ccsc1CN1CCc2nnc(CNC(=O)COc3ccccc3)n2CC1 ZINC000014995308 558696070 /nfs/dbraw/zinc/69/60/70/558696070.db2.gz XNTJUOBCFKDZGR-UHFFFAOYSA-N 0 3 411.531 2.402 50 0 HEAAHN Cc1nc(N2CCCCC2)cc(N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)n1 ZINC000015671283 558748462 /nfs/dbraw/zinc/74/84/62/558748462.db2.gz KPMHZIYXYUNFKD-UHFFFAOYSA-N 0 3 419.526 2.425 50 0 HEAAHN O[C@H](CNC[C@H](O)[C@H]1CCc2cc(F)ccc2O1)[C@H]1CCc2cc(F)ccc2O1 ZINC000000607986 558827733 /nfs/dbraw/zinc/82/77/33/558827733.db2.gz KOHIRBRYDXPAMZ-GMQQQROESA-N 0 3 405.441 2.364 50 0 fda HEAAHN CCCN1CCN(c2ncnc3sc(C(=O)NCCN4CCCC4)c(C)c32)CC1 ZINC000033048396 558885539 /nfs/dbraw/zinc/88/55/39/558885539.db2.gz JTOJYXMIGANJGB-UHFFFAOYSA-N 0 3 416.595 2.357 50 0 HEAAHN O=C([C@@H]1CCCN(C2CCN(S(=O)(=O)c3ccccc3)CC2)C1)N1CCCC1 ZINC000071751809 558909272 /nfs/dbraw/zinc/90/92/72/558909272.db2.gz HYTQXQRRBBQALM-GOSISDBHSA-N 0 3 405.564 2.174 50 0 HEAAHN Cc1ccc(CN2CCc3nnc([C@H](NS(C)(=O)=O)C(C)C)n3CC2)c(C)c1 ZINC000019608379 558946619 /nfs/dbraw/zinc/94/66/19/558946619.db2.gz KWWHCYWNVHGLRC-LJQANCHMSA-N 0 3 405.568 2.200 50 0 HEAAHN Cc1nc(N2CCCC2)cc(N2CCN(C(=O)Nc3ccc4c(c3)OCO4)CC2)n1 ZINC000072434108 558979655 /nfs/dbraw/zinc/97/96/55/558979655.db2.gz RCTUZGWUGIRFQP-UHFFFAOYSA-N 0 3 410.478 2.468 50 0 HEAAHN Cc1ccc(CN2CC34C=CC(O3)C(C(=O)N3CCn5cccc5C3)C4C2=O)cc1C ZINC000077406870 559004122 /nfs/dbraw/zinc/00/41/22/559004122.db2.gz DAJONIDKEDZADI-OUMCCJGNSA-N 0 3 417.509 2.429 50 0 HEAAHN COc1ccc(CNC(=O)C(=O)NCC2CCN(Cc3cccs3)CC2)cc1 ZINC000023127522 559015873 /nfs/dbraw/zinc/01/58/73/559015873.db2.gz UIWDAJGJEFSDDX-UHFFFAOYSA-N 0 3 401.532 2.401 50 0 HEAAHN Cn1cnc2c1c(=O)n(CCCN1CCC(c3c[nH]c4ccccc43)CC1)c(=O)n2C ZINC000023185524 559030842 /nfs/dbraw/zinc/03/08/42/559030842.db2.gz OGWTZTFYHLNBKW-UHFFFAOYSA-N 0 3 420.517 2.185 50 0 HEAAHN O=C(CN1CCCCCC1)N1CCC2(CCC(=O)N(CCc3c[nH]cn3)C2)CC1 ZINC000092097902 559075552 /nfs/dbraw/zinc/07/55/52/559075552.db2.gz VZXPLWZRKZESAL-UHFFFAOYSA-N 0 3 401.555 2.059 50 0 HEAAHN O=C(CN1CCCCCC1)N1CCC2(CCC(=O)N(CCc3cnc[nH]3)C2)CC1 ZINC000092097902 559075553 /nfs/dbraw/zinc/07/55/53/559075553.db2.gz VZXPLWZRKZESAL-UHFFFAOYSA-N 0 3 401.555 2.059 50 0 HEAAHN COc1ccc(CN(C)Cc2nccn2C)cc1OC[C@H](O)CN1CCCCC1 ZINC000095529065 559086439 /nfs/dbraw/zinc/08/64/39/559086439.db2.gz ZDIYEPLFXZUPKY-LJQANCHMSA-N 0 3 402.539 2.286 50 0 HEAAHN COC(=O)c1sccc1S(=O)(=O)NCC1CCN([C@@H]2CCSC2)CC1 ZINC000225573807 559189245 /nfs/dbraw/zinc/18/92/45/559189245.db2.gz QGZDSOQEXVWPIX-CYBMUJFWSA-N 0 3 404.579 2.031 50 0 HEAAHN CC1=NN(c2ccc(C)cc2)C(=O)[C@]12Cc1ccccc1N1CCN(CCO)C[C@@H]12 ZINC000033428960 559190843 /nfs/dbraw/zinc/19/08/43/559190843.db2.gz BKTKCSYTIZBPQN-ISKFKSNPSA-N 0 3 404.514 2.443 50 0 HEAAHN Cc1ccc(NC(=O)CSc2nc(=O)n(CCN(C)C)c3c2CCC3)cc1F ZINC000004851733 559191205 /nfs/dbraw/zinc/19/12/05/559191205.db2.gz PNVHBDPYHNOXIL-UHFFFAOYSA-N 0 3 404.511 2.472 50 0 HEAAHN CCc1nn(CC(=O)NCCN2CCCC[C@@H]2C)c(=O)c2cc3sccc3n21 ZINC000005109021 559246839 /nfs/dbraw/zinc/24/68/39/559246839.db2.gz ASKXGWIBEWNKLT-AWEZNQCLSA-N 0 3 401.536 2.264 50 0 HEAAHN CN(C)C1(CNc2c(=O)c(=O)c2N2CCN(c3ccc(F)cc3)CC2)CCCCC1 ZINC000101690873 560799363 /nfs/dbraw/zinc/79/93/63/560799363.db2.gz QSBQPBNNPRAQBK-UHFFFAOYSA-N 0 3 414.525 2.425 50 0 HEAAHN O=C(C1[C@@H](c2ccc3c(c2)OCO3)NC(=O)N[C@]1(O)c1cccs1)C(F)(F)F ZINC000103215123 560840311 /nfs/dbraw/zinc/84/03/11/560840311.db2.gz KEGGPBFDMJKGQM-ZENOOKHLSA-N 0 3 414.361 2.424 50 0 HEAAHN Cc1cc(C)n(-c2ccc(C(=O)NCc3ccc(N4CCCN(C)CC4)nc3)cn2)n1 ZINC000048248030 568433235 /nfs/dbraw/zinc/43/32/35/568433235.db2.gz NUKDQLAGOIFJJP-UHFFFAOYSA-N 0 3 419.533 2.351 50 0 HEAAHN CC(C)[C@@H](N[C@@H](C)C(=O)NCCc1ccc(S(N)(=O)=O)cc1)c1ccccc1 ZINC000048265260 568433888 /nfs/dbraw/zinc/43/38/88/568433888.db2.gz SFQXDKSKLLVNDO-OXJNMPFZSA-N 0 3 403.548 2.368 50 0 HEAAHN Cc1nc(-n2cccc2)sc1C(=O)N1CCC(C(N)=O)(N2CCCCC2)CC1 ZINC000049006232 568444674 /nfs/dbraw/zinc/44/46/74/568444674.db2.gz LNWTUDXTRJIPSZ-UHFFFAOYSA-N 0 3 401.536 2.188 50 0 HEAAHN CN1CCN(CCCNC(=O)CSc2cc(=O)n(C)c3ccc(Cl)cc23)CC1 ZINC000020280274 568596730 /nfs/dbraw/zinc/59/67/30/568596730.db2.gz JGHUEFYWRRTXLR-UHFFFAOYSA-N 0 3 422.982 2.038 50 0 HEAAHN CCOC(=O)C1=C(CN2CCN([C@@H](C)CC)CC2)NC(=O)N[C@@H]1c1ccccc1 ZINC000020284055 568596919 /nfs/dbraw/zinc/59/69/19/568596919.db2.gz RLQHEAKHHIFDLV-OXJNMPFZSA-N 0 3 400.523 2.274 50 0 HEAAHN CCOC(=O)C1C(CN2CCN([C@@H](C)CC)CC2)=NC(=O)N[C@@H]1c1ccccc1 ZINC000020284055 568596921 /nfs/dbraw/zinc/59/69/21/568596921.db2.gz RLQHEAKHHIFDLV-OXJNMPFZSA-N 0 3 400.523 2.274 50 0 HEAAHN O=C(C[C@H]1Oc2ccccc2NC1=O)NCCCN1CCN(Cc2ccccc2)CC1 ZINC000020379677 568602551 /nfs/dbraw/zinc/60/25/51/568602551.db2.gz VFONFGSEMATNSU-JOCHJYFZSA-N 0 3 422.529 2.100 50 0 HEAAHN CCOC(=O)c1cc(C)sc1NC(=O)CN1CC[C@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000095449873 568614136 /nfs/dbraw/zinc/61/41/36/568614136.db2.gz TYTHSCYEJUUBHO-QAPCUYQASA-N 0 3 422.595 2.130 50 0 HEAAHN CN(C)CCNC(=O)Cn1c2ccccc2c2c1-c1nc3ccccc3c(=O)n1CC2 ZINC000096115846 568695421 /nfs/dbraw/zinc/69/54/21/568695421.db2.gz APNOFGWPFRPADX-UHFFFAOYSA-N 0 3 415.497 2.252 50 0 biogenic HEAAHN O=C(CN(C(=O)c1ccccc1)C1CCN(Cc2ccccc2)CC1)N1CCNCC1 ZINC000021535059 568711838 /nfs/dbraw/zinc/71/18/38/568711838.db2.gz OAKNKEYPECDWMR-UHFFFAOYSA-N 0 3 420.557 2.225 50 0 HEAAHN O=C(NCCN1CCCC1)c1cc2n(n1)CCCN(Cc1ccc(Cl)cc1)C2=O ZINC000021934016 568762013 /nfs/dbraw/zinc/76/20/13/568762013.db2.gz FLCQFOZKVWDGMJ-UHFFFAOYSA-N 0 3 415.925 2.408 50 0 HEAAHN O=C(c1cc(-c2cccs2)[nH]n1)N1CCCN([C@H]2CCN(CC3CC3)C2=O)CC1 ZINC000097078009 568767538 /nfs/dbraw/zinc/76/75/38/568767538.db2.gz MTLFTMCRNVGAOG-SFHVURJKSA-N 0 3 413.547 2.297 50 0 HEAAHN O=C1COc2ccc(S(=O)(=O)NCc3ccccc3CN3CCCCC3)cc2N1 ZINC000029349930 568824850 /nfs/dbraw/zinc/82/48/50/568824850.db2.gz FMIBQVZDZKLXBM-UHFFFAOYSA-N 0 3 415.515 2.482 50 0 HEAAHN O=C(NCc1cccs1)[C@@H]1C[C@@H](n2cnnn2)CN1C1C2CC3CC(C2)CC1C3 ZINC000299771730 568874424 /nfs/dbraw/zinc/87/44/24/568874424.db2.gz VZZRZMGEBJWEAO-XPRXYUEOSA-N 0 3 412.563 2.491 50 0 HEAAHN Cc1nccn1CCN1CCC(N2C[C@H](COc3ccc(F)cc3)OCC2=O)CC1 ZINC000299795399 568876214 /nfs/dbraw/zinc/87/62/14/568876214.db2.gz LHTSYFIRSAQOLF-OAQYLSRUSA-N 0 3 416.497 2.101 50 0 HEAAHN O=C(NC[C@H]1CN(C2CCN(C3CCC3)CC2)C(=O)CO1)c1ccc(Cl)cc1 ZINC000299797379 568876318 /nfs/dbraw/zinc/87/63/18/568876318.db2.gz ORAYAZCYYNHOMY-IBGZPJMESA-N 0 3 405.926 2.314 50 0 HEAAHN CC[C@H]1CCCCN1CCNC(=O)CNS(=O)(=O)c1ccc2nc(C)sc2c1 ZINC000004101525 568942821 /nfs/dbraw/zinc/94/28/21/568942821.db2.gz FURGNSVWVPRYDK-HNNXBMFYSA-N 0 3 424.592 2.264 50 0 HEAAHN CN(C)CCNC(=O)CCC(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000008091165 568973427 /nfs/dbraw/zinc/97/34/27/568973427.db2.gz RQQIBTZTKFVMAB-UHFFFAOYSA-N 0 3 422.573 2.378 50 0 HEAAHN COc1ccc([C@@H](CNC(=O)c2cc(S(=O)(=O)N(C)C)ccc2C)N(C)C)cc1 ZINC000008391361 568998280 /nfs/dbraw/zinc/99/82/80/568998280.db2.gz GTOKFCBZOYAXFZ-HXUWFJFHSA-N 0 3 419.547 2.287 50 0 HEAAHN CCCN1CCN(CCCNC(=O)CCc2[nH]c(C)c(C(=O)OCC)c2C)CC1 ZINC000085698068 569007040 /nfs/dbraw/zinc/00/70/40/569007040.db2.gz AGZGDDDPBAPYMY-UHFFFAOYSA-N 0 3 406.571 2.275 50 0 HEAAHN Cc1cccc(NC(=O)N2CCN(c3nc(C)cc(N4CCN(C)CC4)n3)CC2)c1 ZINC000015825181 569011391 /nfs/dbraw/zinc/01/13/91/569011391.db2.gz BXKGLQBHQLXORZ-UHFFFAOYSA-N 0 3 409.538 2.199 50 0 HEAAHN COc1ccc2cc(C(=O)N3CCC([C@@H](C)C(=O)NCCN(C)C)CC3)[nH]c2c1 ZINC000015868598 569017389 /nfs/dbraw/zinc/01/73/89/569017389.db2.gz RSQOXCOHJKGWIF-OAHLLOKOSA-N 0 3 400.523 2.343 50 0 HEAAHN CCn1c2c(C(=O)Nc3cc(Cl)ccc3OC)cnn2c(=O)c2c1CCNC2 ZINC000064966191 569137363 /nfs/dbraw/zinc/13/73/63/569137363.db2.gz APVYQIMDBUYBDL-UHFFFAOYSA-N 0 3 401.854 2.076 50 0 HEAAHN CN(C)[C@H](CNC(=O)CN(C)S(=O)(=O)c1ccc(Cl)s1)c1ccccc1 ZINC000036394773 569168543 /nfs/dbraw/zinc/16/85/43/569168543.db2.gz QKMUCZJGBINJLU-CQSZACIVSA-N 0 3 415.968 2.441 50 0 HEAAHN COc1cc(CN(C)C[C@H](O)CN2CCOCC2)ccc1OCc1ccccc1 ZINC000013128346 569211373 /nfs/dbraw/zinc/21/13/73/569211373.db2.gz NRFKIBHWXYNZBB-NRFANRHFSA-N 0 3 400.519 2.399 50 0 HEAAHN CN(CC(=O)NC[C@@H](c1ccccc1)N1CCCC1)S(=O)(=O)c1ccc(F)cc1 ZINC000036883723 569231458 /nfs/dbraw/zinc/23/14/58/569231458.db2.gz BUXLGLVGBALSKF-FQEVSTJZSA-N 0 3 419.522 2.400 50 0 HEAAHN Cc1cc(N2CCN(C)CC2)nc(N2CCN(C(=O)c3ccc(C)c(C)c3)CC2)n1 ZINC000017052500 569272621 /nfs/dbraw/zinc/27/26/21/569272621.db2.gz ZPUUAYKBOCDRSQ-UHFFFAOYSA-N 0 3 408.550 2.116 50 0 HEAAHN CN(C)[C@@H](CNC(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl)Cc1ccccc1 ZINC000007683564 569300518 /nfs/dbraw/zinc/30/05/18/569300518.db2.gz VUBOAJSBIILNOJ-MRXNPFEDSA-N 0 3 423.966 2.493 50 0 HEAAHN O=C(c1ccccn1)N1CCC2(CC1)C[C@@H](N1CCN(c3ccccn3)CC1)CCO2 ZINC000581819778 569320724 /nfs/dbraw/zinc/32/07/24/569320724.db2.gz KOTOULNNJFSCCB-FQEVSTJZSA-N 0 3 421.545 2.453 50 0 HEAAHN CCn1ccc(C(=O)N2CCC3(CC2)C[C@H](N2CCN(C(C)C)CC2)CCO3)n1 ZINC000581819809 569320994 /nfs/dbraw/zinc/32/09/94/569320994.db2.gz MKPOTALDJLLXHJ-LJQANCHMSA-N 0 3 403.571 2.083 50 0 HEAAHN COc1ccc(COC[C@H](O)CN(C)Cc2ccc3c(c2)OCCO3)cc1OC ZINC000009647394 571276532 /nfs/dbraw/zinc/27/65/32/571276532.db2.gz POPDUSTUEJMZBF-GOSISDBHSA-N 0 3 403.475 2.485 50 0 HEAAHN