smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCOc1ccc(CN2CCC(C(=O)N3CCN(c4cccc(C)c4C)CC3)CC2)cc1 ZINC000004707032 132272785 /nfs/dbraw/zinc/27/27/85/132272785.db2.gz RMMQDNOITGEYJK-UHFFFAOYSA-N 0 3 435.612 4.263 50 0 IIAAHN Cc1ccc(N2CCN(CCc3nc4cc(NC(=O)CC(C)C)ccc4n3C)CC2)cc1 ZINC000005340074 132275338 /nfs/dbraw/zinc/27/53/38/132275338.db2.gz QHSPMLSHOKTBFI-UHFFFAOYSA-N 0 3 433.600 4.231 50 0 IIAAHN CC(=O)N[C@H](CC(C)C)c1nnc2n1CCN(Cc1ccc(-c3ccccc3)cc1)CC2 ZINC000014879874 519698069 /nfs/dbraw/zinc/69/80/69/519698069.db2.gz WYVHNOKIWDNRCP-XMMPIXPASA-N 0 3 431.584 4.227 50 0 IIAAHN CC(C)[C@@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000013048997 519798266 /nfs/dbraw/zinc/79/82/66/519798266.db2.gz UNNCITIJUFOXEZ-GHTZIAJQSA-N 0 3 448.394 4.139 50 0 IIAAHN CC(C)[C@H](NCC(=O)N1c2ccccc2NC(=O)C[C@H]1C(F)(F)F)c1ccc(F)cc1 ZINC000021317185 519820654 /nfs/dbraw/zinc/82/06/54/519820654.db2.gz LJMOKQCOGPFRGF-RXVVDRJESA-N 0 3 437.437 4.419 50 0 IIAAHN CC(C)c1nc(CNCc2ccc(OC[C@H](O)CN(C)Cc3ccccc3)cc2)cs1 ZINC000012704803 519863553 /nfs/dbraw/zinc/86/35/53/519863553.db2.gz CKVWESMYPLAJIR-HSZRJFAPSA-N 0 3 439.625 4.428 50 0 IIAAHN CCOc1cc(CN2CCC[C@@H](N3CCN(c4ccc(F)cc4)CC3)C2)ccc1OC ZINC000020774109 520697870 /nfs/dbraw/zinc/69/78/70/520697870.db2.gz JKLKPJRVNABPGT-HSZRJFAPSA-N 0 3 427.564 4.020 50 0 IIAAHN CCOc1ccc(-c2cc(C(=O)NCCCN3CCN(CC)CC3)c3ccccc3n2)cc1 ZINC000020682301 520804570 /nfs/dbraw/zinc/80/45/70/520804570.db2.gz UGPIPLKAPNQGSE-UHFFFAOYSA-N 0 3 446.595 4.058 50 0 IIAAHN CCN(C[C@H]1CCCN(CCc2cccc(OC)c2)C1)C(=O)c1n[nH]c2ccc(C)cc21 ZINC000012444612 521264213 /nfs/dbraw/zinc/26/42/13/521264213.db2.gz WRLDCXBFMFNRKW-NRFANRHFSA-N 0 3 434.584 4.297 50 0 IIAAHN CCOC(=O)c1sc(-c2ccccc2)cc1NC(=O)CNCCc1ccc(OC)cc1 ZINC000012565256 521609432 /nfs/dbraw/zinc/60/94/32/521609432.db2.gz WXNYBENKDQVZNP-UHFFFAOYSA-N 0 3 438.549 4.371 50 0 IIAAHN CCN1CCN(c2ccc(NC(=S)NC(=O)CC34CC5CC(CC(C5)C3)C4)cc2)CC1 ZINC000009355154 521699513 /nfs/dbraw/zinc/69/95/13/521699513.db2.gz KYKKXNVJHYOVPS-UHFFFAOYSA-N 0 3 440.657 4.248 50 0 IIAAHN CN(CC1CCN(CCc2ccc(F)cc2)CC1)C(=O)c1cc(-c2ccsc2)n[nH]1 ZINC000012445540 522658184 /nfs/dbraw/zinc/65/81/84/522658184.db2.gz QAHLHLKCCOOBQE-UHFFFAOYSA-N 0 3 426.561 4.304 50 0 IIAAHN COCc1ccc(CN(C[C@@H]2CCCO2)CC2CCN(Cc3ccccc3F)CC2)o1 ZINC000012431368 522968594 /nfs/dbraw/zinc/96/85/94/522968594.db2.gz QDHPGEPGOTVXHU-QFIPXVFZSA-N 0 3 430.564 4.458 50 0 IIAAHN COc1cc2c(cc1CN1CCC([C@]3(C)NC(=O)NC3=O)CC1)oc(C)c2-c1ccccc1 ZINC000012245991 522997868 /nfs/dbraw/zinc/99/78/68/522997868.db2.gz VCJHVCCKRGCULF-SANMLTNESA-N 0 3 447.535 4.227 50 0 IIAAHN COC(=O)Cn1cc(CN[C@H](C)c2cnn(-c3ccc(OC)cc3)c2C)c2ccccc21 ZINC000012320120 523398396 /nfs/dbraw/zinc/39/83/96/523398396.db2.gz JDFPWVHGABWCNC-QGZVFWFLSA-N 0 3 432.524 4.168 50 0 IIAAHN COc1ccc(C(=O)NC2CC2)c(OC2CCN(Cc3cccc4ncccc34)CC2)c1 ZINC000012303264 523685158 /nfs/dbraw/zinc/68/51/58/523685158.db2.gz DAGUMMGPXYQWAO-UHFFFAOYSA-N 0 3 431.536 4.179 50 0 IIAAHN COc1ccc(Cl)cc1NC(=O)[C@H]1C[C@H](CC(C)C)N[C@]12C(=O)Nc1c2cccc1C ZINC000012890018 524239340 /nfs/dbraw/zinc/23/93/40/524239340.db2.gz RXZBQXCFHAPIPY-GXYVPTEVSA-N 0 3 441.959 4.467 50 0 biogenic IIAAHN C[C@H](Cc1cccc(C(F)(F)F)c1)N1CCC(n2cc(C(=O)N3CCCCC3)nn2)CC1 ZINC000011871232 524710367 /nfs/dbraw/zinc/71/03/67/524710367.db2.gz PSHFFPVEDLNDEU-QGZVFWFLSA-N 0 3 449.521 4.191 50 0 IIAAHN COc1ccc(OC)c(NC(=O)N(C)C[C@@H]2CCCN(CCc3ccc(F)cc3)C2)c1 ZINC000012298659 524855181 /nfs/dbraw/zinc/85/51/81/524855181.db2.gz BGJBKPDLYXUISV-IBGZPJMESA-N 0 3 429.536 4.261 50 0 IIAAHN Cc1c(CN2CCC(C(=O)Nc3ccc(-c4nc5ccccc5[nH]4)cc3)CC2)cnn1C ZINC000012445483 525701851 /nfs/dbraw/zinc/70/18/51/525701851.db2.gz IXDQVOASAVIZNN-UHFFFAOYSA-N 0 3 428.540 4.123 50 0 IIAAHN Cc1nccn1-c1ccc(NC(=O)[C@H]2CCCN(Cc3nc4ccc(F)cc4[nH]3)C2)cc1 ZINC000012300323 527376705 /nfs/dbraw/zinc/37/67/05/527376705.db2.gz VLVTZNAPYXPVSM-KRWDZBQOSA-N 0 3 432.503 4.047 50 0 IIAAHN Cc1nn(C)cc1[C@@H](C)NC(=O)c1ccc(OC2CCN(CCc3ccccc3)CC2)cc1 ZINC000012459442 527696167 /nfs/dbraw/zinc/69/61/67/527696167.db2.gz YYRXIBBNPKBYHB-HXUWFJFHSA-N 0 3 446.595 4.305 50 0 IIAAHN C[C@@H](O)c1ccc(-c2ccc(CNCCCSc3nnnn3-c3ccccc3)o2)cc1 ZINC000009193991 556254126 /nfs/dbraw/zinc/25/41/26/556254126.db2.gz GDLGKCXTBUMQPP-QGZVFWFLSA-N 0 3 435.553 4.248 50 0 IIAAHN O=C(Cn1c2ccccc2nc1SC(F)F)NC1CCN(Cc2ccccc2)CC1 ZINC000032747794 556316646 /nfs/dbraw/zinc/31/66/46/556316646.db2.gz RSHOMQYPPLZMBG-UHFFFAOYSA-N 0 3 430.524 4.132 50 0 IIAAHN CN(CC1CCN(CCc2cccc(C(F)(F)F)c2)CC1)C(=O)CCc1ccncc1 ZINC000011665409 556346079 /nfs/dbraw/zinc/34/60/79/556346079.db2.gz HTTFOXQBZQIKPG-UHFFFAOYSA-N 0 3 433.518 4.446 50 0 IIAAHN CN(Cc1ccccc1)C(=O)c1nc2ccccn2c1CN[C@@H](Cn1ccnc1)C(C)(C)C ZINC000011820048 556361998 /nfs/dbraw/zinc/36/19/98/556361998.db2.gz YDZMSTIJFIUXGJ-QFIPXVFZSA-N 0 3 444.583 4.008 50 0 IIAAHN CN(C)CCN(C[C@H]1CCCN(Cc2ccccc2F)C1)C(=O)CCc1ccccc1 ZINC000011879503 556371671 /nfs/dbraw/zinc/37/16/71/556371671.db2.gz BWMJXJRGKIIERS-QHCPKHFHSA-N 0 3 425.592 4.061 50 0 IIAAHN COc1ccccc1CCNC(=O)[C@H]1CC12CCN(Cc1ccc3ncccc3c1)CC2 ZINC000011912694 556375553 /nfs/dbraw/zinc/37/55/53/556375553.db2.gz PPASBEVCAMPGQE-HSZRJFAPSA-N 0 3 429.564 4.204 50 0 IIAAHN C[C@@H](NC(=O)c1ccco1)c1nnc2n1CCN(Cc1ccc(-c3ccccc3)cc1)CC2 ZINC000012005129 556386268 /nfs/dbraw/zinc/38/62/68/556386268.db2.gz YZHHYDFEEKEVPC-LJQANCHMSA-N 0 3 441.535 4.087 50 0 IIAAHN CN1CCC[C@@H](CN(CCc2ccccc2)C(=O)CCc2nc(-c3ccccc3)no2)C1 ZINC000012057058 556394544 /nfs/dbraw/zinc/39/45/44/556394544.db2.gz GOMMEZFAVPNSPB-JOCHJYFZSA-N 0 3 432.568 4.082 50 0 IIAAHN CC1CCN([C@@H](CNC(=O)Cc2csc(-c3ccccn3)n2)c2cccs2)CC1 ZINC000032841478 556427204 /nfs/dbraw/zinc/42/72/04/556427204.db2.gz KYGGUFYZLHXSKB-IBGZPJMESA-N 0 3 426.611 4.399 50 0 IIAAHN CCCNCC(=O)Nc1sc2c(c1C(=O)Nc1ccc(OCC)cc1)CC[C@@H](C)C2 ZINC000004554386 556503120 /nfs/dbraw/zinc/50/31/20/556503120.db2.gz IMBOPHXYSXFLKR-OAHLLOKOSA-N 0 3 429.586 4.462 50 0 IIAAHN CCN1CCN(CCCN(Cc2ccco2)C(=S)Nc2cccc(Cl)c2C)CC1 ZINC000022939353 556587278 /nfs/dbraw/zinc/58/72/78/556587278.db2.gz VQEOEOBHWYDDAJ-UHFFFAOYSA-N 0 3 435.037 4.468 50 0 IIAAHN Cc1c(C(=O)N2CCC(C)CC2)nnn1-c1cccc2c1CCN(Cc1ccccc1)C2 ZINC000071889500 556608445 /nfs/dbraw/zinc/60/84/45/556608445.db2.gz NHEDBALUAUQZEA-UHFFFAOYSA-N 0 3 429.568 4.006 50 0 IIAAHN COc1ccccc1-n1cc(CN[C@H]2CCCN(c3ccc(C(F)(F)F)cn3)C2)cn1 ZINC000039541893 556629507 /nfs/dbraw/zinc/62/95/07/556629507.db2.gz ADMCPVXWVFUHIT-SFHVURJKSA-N 0 3 431.462 4.053 50 0 IIAAHN COc1ccc(Cn2c(C)cc(O)c([C@H](c3ccncc3)N3CCC(C)CC3)c2=O)cc1 ZINC000038545811 556650573 /nfs/dbraw/zinc/65/05/73/556650573.db2.gz VEHMPIFFULMLDR-VWLOTQADSA-N 0 3 433.552 4.136 50 0 IIAAHN COc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)C3ON2c2ccccc2)cc1 ZINC000100799127 556675438 /nfs/dbraw/zinc/67/54/38/556675438.db2.gz OJWSVBCPLATMAB-BDTNDASRSA-N 0 3 434.879 4.400 50 0 IIAAHN COc1ccc(-c2nn(-c3ccccc3F)cc2CN2CCC[C@H](c3nncn3C)C2)cc1 ZINC000019227017 556716989 /nfs/dbraw/zinc/71/69/89/556716989.db2.gz MXNKUQZYWCAANX-IBGZPJMESA-N 0 3 446.530 4.195 50 0 IIAAHN O=C(c1cccnc1N1CCCN(Cc2ccc(C(F)(F)F)cc2)CC1)N1CCCCC1 ZINC000078904369 556736371 /nfs/dbraw/zinc/73/63/71/556736371.db2.gz GCBRZASPPNEIIU-UHFFFAOYSA-N 0 3 446.517 4.439 50 0 IIAAHN C[C@H](CNC(=O)C[C@H](NC(=O)c1ccccc1Cl)c1ccccc1)N1CCC(C)CC1 ZINC000058024030 556754856 /nfs/dbraw/zinc/75/48/56/556754856.db2.gz HVOUTZYDDZITHV-XXBNENTESA-N 0 3 442.003 4.438 50 0 IIAAHN O=C(C[C@H]1OC(=O)c2ccccc21)Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1 ZINC000058169350 556767780 /nfs/dbraw/zinc/76/77/80/556767780.db2.gz GLNTZZRKANFBLO-RUZDIDTESA-N 0 3 441.531 4.249 50 0 IIAAHN O=C(Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1)[C@@H]1COc2ccccc2C1 ZINC000058170338 556768021 /nfs/dbraw/zinc/76/80/21/556768021.db2.gz NFZBXAMTRRDAON-QHCPKHFHSA-N 0 3 427.548 4.199 50 0 IIAAHN CC(=O)Nc1ccc(NC(=O)CC2C(=O)N(C3CCCCC3)c3nc4ccccc4n32)cc1 ZINC000019817421 556920162 /nfs/dbraw/zinc/92/01/62/556920162.db2.gz ASKWJDPAEJIFEM-QFIPXVFZSA-N 0 3 445.523 4.244 50 0 IIAAHN O=C(CCN1CCN(Cc2ccccc2)CC1)Nc1ccc(OCc2ccccc2)cc1 ZINC000019925579 556944534 /nfs/dbraw/zinc/94/45/34/556944534.db2.gz RWUIVHVVFWEECH-UHFFFAOYSA-N 0 3 429.564 4.412 50 0 IIAAHN O=C(CC1C(=O)N(Cc2cccnc2)c2nc3ccccc3n21)Nc1ccc(Cl)cc1 ZINC000019962106 556955553 /nfs/dbraw/zinc/95/55/53/556955553.db2.gz VDXYJNLUSSIZCG-FQEVSTJZSA-N 0 3 431.883 4.201 50 0 IIAAHN CCc1ccc(NC(=O)CC2C(=O)N(Cc3cccnc3)c3nc4ccccc4n32)cc1 ZINC000019962100 556955636 /nfs/dbraw/zinc/95/56/36/556955636.db2.gz MWICLNJTZDKZFY-JOCHJYFZSA-N 0 3 425.492 4.110 50 0 IIAAHN Cc1cccc(-n2cc(CN3CCC[C@H](c4nncn4C)C3)c(-c3cccc(F)c3)n2)c1 ZINC000020233830 557001988 /nfs/dbraw/zinc/00/19/88/557001988.db2.gz VVVKUNWFEDGICD-FQEVSTJZSA-N 0 3 430.531 4.495 50 0 IIAAHN Cc1nn(-c2ccc(F)cc2)c2c1C(C(=O)c1ccc(Br)cc1)CC(=O)N2 ZINC000046057653 557029180 /nfs/dbraw/zinc/02/91/80/557029180.db2.gz NGSQCWPIBNPZHB-INIZCTEOSA-N 0 3 428.261 4.391 50 0 IIAAHN Cc1c(Cl)cccc1NC(=O)CC1C(=O)N(C[C@H]2CCCO2)c2nc3ccccc3n21 ZINC000023382278 557089458 /nfs/dbraw/zinc/08/94/58/557089458.db2.gz BUKDXQVETIHCGY-FOIQADDNSA-N 0 3 438.915 4.094 50 0 IIAAHN O=C(CC1C(=O)N(Cc2ccccn2)c2nc3ccccc3n21)Nc1cccc(Cl)c1 ZINC000023382392 557089499 /nfs/dbraw/zinc/08/94/99/557089499.db2.gz HBDPUILPIKCGTM-HXUWFJFHSA-N 0 3 431.883 4.201 50 0 IIAAHN Cc1ccc(NC(=O)CC2C(=O)N(C[C@@H]3CCCO3)c3nc4ccccc4n32)c(Cl)c1 ZINC000023382286 557089563 /nfs/dbraw/zinc/08/95/63/557089563.db2.gz PWLNDPWHOUZPKF-YWZLYKJASA-N 0 3 438.915 4.094 50 0 IIAAHN Cc1c(Cl)cccc1NC(=O)CC1C(=O)N(C[C@@H]2CCCO2)c2nc3ccccc3n21 ZINC000023382275 557089579 /nfs/dbraw/zinc/08/95/79/557089579.db2.gz BUKDXQVETIHCGY-YWZLYKJASA-N 0 3 438.915 4.094 50 0 IIAAHN COc1ccccc1-n1c(=S)n(CN(C)C2CCN(C)CC2)nc1-c1cccs1 ZINC000023408658 557090999 /nfs/dbraw/zinc/09/09/99/557090999.db2.gz ZKTQXXZWKQKJLF-UHFFFAOYSA-N 0 3 429.615 4.124 50 0 IIAAHN COc1ccc(-c2csc3nc(C)nc(N4CCN(c5ccncc5)CC4)c23)cc1OC ZINC000024761836 557164635 /nfs/dbraw/zinc/16/46/35/557164635.db2.gz OYCBKEUWBLYVGV-UHFFFAOYSA-N 0 3 447.564 4.406 50 0 IIAAHN O=C1C2ON(c3ccccc3)[C@H](c3ccncc3)[C@@H]2C(=O)N1c1ccc(Cl)c(Cl)c1 ZINC000102727774 557370323 /nfs/dbraw/zinc/37/03/23/557370323.db2.gz GIIMJJMIHWGLSE-XUVXKRRUSA-N 0 3 440.286 4.440 50 0 IIAAHN CC(C)c1nc(CN2C[C@H]3CCC[C@@]3(c3nc(-c4cccnc4)no3)C2)c2ccccn21 ZINC000225424594 557721989 /nfs/dbraw/zinc/72/19/89/557721989.db2.gz ZUVAAPCODDKMAT-KBMIEXCESA-N 0 3 428.540 4.456 50 0 IIAAHN CN(C)CCN(Cc1c(-c2ccccc2)noc1N1CCCC1)C(=O)c1ccc(F)cc1 ZINC000096486850 557806936 /nfs/dbraw/zinc/80/69/36/557806936.db2.gz DQAYTRHIRHIHSZ-UHFFFAOYSA-N 0 3 436.531 4.285 50 0 IIAAHN COc1ccc(CN2CCC[C@@H](c3ccnc(SCCN4CCCC4)n3)C2)c(OC)c1 ZINC000014991621 557836898 /nfs/dbraw/zinc/83/68/98/557836898.db2.gz CJOCVDOUGZQDJF-LJQANCHMSA-N 0 3 442.629 4.061 50 0 IIAAHN CCOC(=O)N1CCC(N(CCN(C)C)C(=S)Nc2cc(Cl)cc(Cl)c2)CC1 ZINC000015961290 563020526 /nfs/dbraw/zinc/02/05/26/563020526.db2.gz VIZXAANBTVHNEM-UHFFFAOYSA-N 0 3 447.432 4.175 50 0 IIAAHN OCC[C@H]1CN(Cc2cnc(-c3cccc4ccccc43)nc2)CCN1C1CCCCC1 ZINC000019790229 563022951 /nfs/dbraw/zinc/02/29/51/563022951.db2.gz LDTYNCRAEFZYDJ-DEOSSOPVSA-N 0 3 430.596 4.498 50 0 IIAAHN Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000025080146 568635560 /nfs/dbraw/zinc/63/55/60/568635560.db2.gz SQXAXTSENLMRQP-JOCHJYFZSA-N 0 3 447.608 4.447 50 0 IIAAHN CCCCc1ccc([C@H](NCC(=O)Nc2cc(S(C)(=O)=O)ccc2F)C(C)C)cc1 ZINC000084746838 568800900 /nfs/dbraw/zinc/80/09/00/568800900.db2.gz ZRLYVRUNVMHLNX-HSZRJFAPSA-N 0 3 434.577 4.497 50 0 IIAAHN CCN1CCC(N(Cc2ccc3c(c2)OCO3)C(=O)Nc2cc(C)ccc2OC)CC1 ZINC000015679736 568805670 /nfs/dbraw/zinc/80/56/70/568805670.db2.gz FPHKUSQMVWQITJ-UHFFFAOYSA-N 0 3 425.529 4.251 50 0 IIAAHN C[C@H]1CSc2ccc(S(=O)(=O)[N-]c3ccc(C[NH+]4CCCCC4)cc3)cc2NC1=O ZINC000015730874 568814479 /nfs/dbraw/zinc/81/44/79/568814479.db2.gz LRZYGBLSGASCIP-INIZCTEOSA-N 0 3 445.610 4.154 50 0 IIAAHN CC(C)c1ccc(CN(Cc2nc(C(=O)NCCN(C)C)co2)Cc2ccccc2)cc1 ZINC000036073703 568946339 /nfs/dbraw/zinc/94/63/39/568946339.db2.gz JMDLAIYBBTWGSP-UHFFFAOYSA-N 0 3 434.584 4.292 50 0 IIAAHN CCCC(=O)OC[C@@H](O)CN(Cc1c(-c2ccccc2)noc1N(CC)CC)CC1CC1 ZINC000036246105 568981651 /nfs/dbraw/zinc/98/16/51/568981651.db2.gz SCZMDTWYRCHZMS-NRFANRHFSA-N 0 3 443.588 4.104 50 0 IIAAHN Cc1ccc(OC[C@H]2c3ccsc3CCN2C(=O)CN(CC(C)C)C[C@@H](C)O)c(C)c1 ZINC000036310108 568996285 /nfs/dbraw/zinc/99/62/85/568996285.db2.gz XSSXMLUOXYPENQ-IRLDBZIGSA-N 0 3 444.641 4.209 50 0 IIAAHN CC[C@H](O)CN(CC(=O)N1CCc2sccc2[C@@H]1COc1cccc(F)c1)CC(C)C ZINC000036309559 568996411 /nfs/dbraw/zinc/99/64/11/568996411.db2.gz KFBPRVOSTGVXRB-UGKGYDQZSA-N 0 3 448.604 4.121 50 0 IIAAHN O=C(NC1CCN(Cc2ccccc2)CC1)c1ccc(-c2cc(N3CCCC3)ncn2)cc1 ZINC000064989306 569083027 /nfs/dbraw/zinc/08/30/27/569083027.db2.gz XQPTWLVEONRDCR-UHFFFAOYSA-N 0 3 441.579 4.138 50 0 IIAAHN COc1ccc(-c2nc(C)c(C(=O)NCc3ccc(CN(C)C)cc3)s2)cc1OC ZINC000007437552 569140389 /nfs/dbraw/zinc/14/03/89/569140389.db2.gz ZRSMEYBPWHTZBD-UHFFFAOYSA-N 0 3 425.554 4.127 50 0 IIAAHN CN(C)CCNc1nc2nn(-c3ccccc3Cl)c(N)c2c(-c2ccc(Cl)cc2)n1 ZINC000037358476 569176146 /nfs/dbraw/zinc/17/61/46/569176146.db2.gz MBQNXLSPJONZCO-UHFFFAOYSA-N 0 3 442.354 4.345 50 0 IIAAHN Cc1oc(-c2cccc(C)c2)nc1CN1CCC(C(=O)NCCN2CCC(C)CC2)CC1 ZINC000009300503 569176812 /nfs/dbraw/zinc/17/68/12/569176812.db2.gz VUEFMTORIPAEDO-UHFFFAOYSA-N 0 3 438.616 4.019 50 0 IIAAHN Cc1cccc(-n2nc3nc(NCCN4CCCCC4)nc(-c4cccc(F)c4)c3c2N)c1 ZINC000037375833 569185526 /nfs/dbraw/zinc/18/55/26/569185526.db2.gz QVSNPVZLGXXWLV-UHFFFAOYSA-N 0 3 445.546 4.410 50 0 IIAAHN CCOC(=O)C1([C@H](C)NCc2ccc3c(n2)CCCC3)CCN(C(=O)OC(C)(C)C)CC1 ZINC000252482025 569186471 /nfs/dbraw/zinc/18/64/71/569186471.db2.gz CWVRVKPSRANLMI-SFHVURJKSA-N 0 3 445.604 4.019 50 0 IIAAHN COc1ccc([C@@H]2N(c3ccccc3)OC3C(=O)N(c4ccc(OC)cc4)C(=O)[C@]32C)cc1 ZINC000002360582 569286851 /nfs/dbraw/zinc/28/68/51/569286851.db2.gz ACHWGWKDDQUFBY-FXSPECFOSA-N 0 3 444.487 4.145 50 0 IIAAHN C[C@@H]1C[C@H](NC(=O)COc2ccc(Oc3ccccn3)cc2)CCN1Cc1ccccc1 ZINC000095408994 569365054 /nfs/dbraw/zinc/36/50/54/569365054.db2.gz YJOAPKMPADYJON-IFMALSPDSA-N 0 3 431.536 4.422 50 0 IIAAHN CS[C@@H]1CN([C@H](C)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)C[C@@H]1N1CCCC1 ZINC000095941526 569375437 /nfs/dbraw/zinc/37/54/37/569375437.db2.gz OUWAVVYBOMYYLB-OAUYIBNBSA-N 0 3 435.943 4.197 50 0 IIAAHN Cc1c2cccc(C)c2oc1-c1nnc(C(=O)NC2CCN(Cc3ccccc3)CC2)o1 ZINC000096324165 569395759 /nfs/dbraw/zinc/39/57/59/569395759.db2.gz GHBHLYWIKAAKFK-UHFFFAOYSA-N 0 3 430.508 4.494 50 0 IIAAHN CC(C)N(Cc1ccc(NC(=O)NC[C@@](C)(O)c2ccco2)cc1)C[C@H]1CCCCO1 ZINC000230205521 569440064 /nfs/dbraw/zinc/44/00/64/569440064.db2.gz FLAHRBOCEODRJK-ZJSXRUAMSA-N 0 3 429.561 4.088 50 0 IIAAHN O[C@@]1(c2ccc3c(c2)c2c4n3CCN(Cc3ccccc3)[C@@H]4CCC2)CN2CCC1CC2 ZINC000003999874 569457696 /nfs/dbraw/zinc/45/76/96/569457696.db2.gz LBWDAHMLEQZIJM-IAPPQJPRSA-N 0 3 427.592 4.448 50 0 biogenic IIAAHN CNC(=O)[C@@H]1C[C@H](NCc2ccc(-c3ccccc3)cc2)CN1Cc1cccc(Cl)c1 ZINC000032537433 569461991 /nfs/dbraw/zinc/46/19/91/569461991.db2.gz NZMZYRRIIANQDW-DQEYMECFSA-N 0 3 433.983 4.486 50 0 IIAAHN CC(C)CCN(CC(=O)N1CCc2sccc2[C@H]1COc1cccc(F)c1)C[C@H](C)O ZINC000245330651 569504044 /nfs/dbraw/zinc/50/40/44/569504044.db2.gz ZZBAMBKDMQAPGE-PGRDOPGGSA-N 0 3 448.604 4.121 50 0 IIAAHN CCN1CCc2c(sc(-n3cccc3)c2CNC(=O)Nc2ccc3c(c2)OCCO3)C1 ZINC000009151127 569507442 /nfs/dbraw/zinc/50/74/42/569507442.db2.gz UHNKCFOKLPIOLQ-UHFFFAOYSA-N 0 3 438.553 4.010 50 0 IIAAHN Cc1nc(C(=O)N2CCCN(CCCc3ccccc3)CC2)nn1-c1ccccc1C(C)C ZINC000070038411 569529339 /nfs/dbraw/zinc/52/93/39/569529339.db2.gz FJBWZULWWFJLSB-UHFFFAOYSA-N 0 3 445.611 4.480 50 0 IIAAHN O=C1C2ON(c3ccccc3)[C@H](c3ccncc3)[C@H]2C(=O)N1c1ccc(Cl)c(Cl)c1 ZINC000009471591 569538984 /nfs/dbraw/zinc/53/89/84/569538984.db2.gz GIIMJJMIHWGLSE-VAMGGRTRSA-N 0 3 440.286 4.440 50 0 IIAAHN Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CN[C@H](c1ccccc1)C(C)C ZINC000009836618 569570733 /nfs/dbraw/zinc/57/07/33/569570733.db2.gz RHYYDFKYQFNIKI-DEOSSOPVSA-N 0 3 443.613 4.095 50 0 IIAAHN CCN(CC)CCN(C(=O)CCOc1ccccc1)c1nc2cc3c(cc2s1)OCO3 ZINC000010066862 569577590 /nfs/dbraw/zinc/57/75/90/569577590.db2.gz FELSBYYIQPLZLP-UHFFFAOYSA-N 0 3 441.553 4.169 50 0 IIAAHN CCCN1CCN(c2ncnc3sc(C(=O)Nc4cccc(Cl)c4)c(C)c32)CC1 ZINC000021636659 519861088 /nfs/dbraw/zinc/86/10/88/519861088.db2.gz QIOZMSIJQXFZJJ-UHFFFAOYSA-N 0 3 429.977 4.437 50 0 IIAAHN CCN(CC)[C@@H](CNC(=O)c1nn(-c2ccccc2)c(=O)c2ccccc21)c1ccccc1 ZINC000012918782 520837296 /nfs/dbraw/zinc/83/72/96/520837296.db2.gz QDRXTFVLBAQEAS-DEOSSOPVSA-N 0 3 440.547 4.199 50 0 IIAAHN CCN(C[C@@H]1CCCN(CCc2cccc(OC)c2)C1)C(=O)c1cccnc1SC ZINC000012474154 521220541 /nfs/dbraw/zinc/22/05/41/521220541.db2.gz QHAMFSPQEMQJPC-HXUWFJFHSA-N 0 3 427.614 4.229 50 0 IIAAHN COC[C@H]1CCCN(C(=O)c2ccc(OC3CCN(CCc4ccccc4)CC3)cc2)C1 ZINC000012207832 522829981 /nfs/dbraw/zinc/82/99/81/522829981.db2.gz DVCFRHPRYSTTAO-QHCPKHFHSA-N 0 3 436.596 4.271 50 0 IIAAHN CCn1cc([C@H](CC(=O)NCCN2CCCC2)c2cc(OC)cc(OC)c2)c2ccccc21 ZINC000035872308 523477637 /nfs/dbraw/zinc/47/76/37/523477637.db2.gz GHAOAUCLQFFESW-XMMPIXPASA-N 0 3 449.595 4.412 50 0 IIAAHN COc1ccc(C(=O)N2CCCC2)c(OC2CCN(Cc3cn(C)c4ccccc34)CC2)c1 ZINC000012434449 523629986 /nfs/dbraw/zinc/62/99/86/523629986.db2.gz MZKACHWXIXJDOI-UHFFFAOYSA-N 0 3 447.579 4.466 50 0 IIAAHN C[C@@H]1CCCCN1CCNC(=O)c1c2c(nc3ccccc31)C(=O)N(C1CCCCC1)C2 ZINC000021915376 524111662 /nfs/dbraw/zinc/11/16/62/524111662.db2.gz POGIVVYSBVDGDZ-GOSISDBHSA-N 0 3 434.584 4.128 50 0 IIAAHN Cc1ccc([C@H](CNC(=O)c2cc(-c3ccc(Br)cc3)on2)N(C)C)cc1 ZINC000021805311 525956796 /nfs/dbraw/zinc/95/67/96/525956796.db2.gz UANAYDKZHBNTIO-IBGZPJMESA-N 0 3 428.330 4.445 50 0 IIAAHN Cc1nn2c(ncc(C(=O)NC3CCN(Cc4ccccc4)CC3)c2C)c1-c1ccccc1 ZINC000021914857 526312804 /nfs/dbraw/zinc/31/28/04/526312804.db2.gz COBCHWQQCLVNPL-UHFFFAOYSA-N 0 3 439.563 4.408 50 0 IIAAHN Cn1ccnc1[C@H]1CCCCN1C(=O)CCN1Cc2ccccc2O[C@H](c2ccccc2)C1 ZINC000012246620 527467978 /nfs/dbraw/zinc/46/79/78/527467978.db2.gz YODDBIWSIATSSP-NOZRDPDXSA-N 0 3 444.579 4.500 50 0 IIAAHN OCC[C@H]1CN(CC2=Cc3cc(Cl)ccc3OC2)CCN1CCCc1ccccc1 ZINC000020781164 527571697 /nfs/dbraw/zinc/57/16/97/527571697.db2.gz HKDWOQIEBCPHIO-DEOSSOPVSA-N 0 3 426.988 4.117 50 0 IIAAHN O[C@@H](CCN1CCN(C(c2ccccc2)c2ccccc2)CC1)C(F)(F)C(F)(F)F ZINC000022872958 527644444 /nfs/dbraw/zinc/64/44/44/527644444.db2.gz SIZBTPAYTFYIRC-IBGZPJMESA-N 0 3 428.445 4.342 50 0 IIAAHN CCN(CC)CCN1C(=O)c2oc3ccccc3c(=O)c2[C@@H]1c1ccc(OC(C)C)cc1 ZINC000002377950 555774025 /nfs/dbraw/zinc/77/40/25/555774025.db2.gz QOQSEGKVNVFJDH-QHCPKHFHSA-N 0 3 434.536 4.467 50 0 IIAAHN N=c1n(CCN2CCCCC2)c2ccccc2n1C[C@H](O)c1ccc(Cl)c(Cl)c1 ZINC000008670952 556198212 /nfs/dbraw/zinc/19/82/12/556198212.db2.gz UWYSBMBUXTYGDX-NRFANRHFSA-N 0 3 433.383 4.449 50 0 IIAAHN COc1ccc(C2=NN3[C@H](C2)c2cc(Br)ccc2OC32CCN(C)CC2)cc1 ZINC000008717685 556202425 /nfs/dbraw/zinc/20/24/25/556202425.db2.gz BJPYVAWHEINQAO-HXUWFJFHSA-N 0 3 442.357 4.423 50 0 IIAAHN COc1ccc(Br)c(C(=O)Nc2ccc(OCCN(C)C)c(Cl)c2)c1 ZINC000097574217 556250263 /nfs/dbraw/zinc/25/02/63/556250263.db2.gz BAPYRSHWFTUIDC-UHFFFAOYSA-N 0 3 427.726 4.304 50 0 IIAAHN C[C@H](O)c1ccc(-c2ccc(CNCCCSc3nnnn3-c3ccccc3)o2)cc1 ZINC000009193989 556254113 /nfs/dbraw/zinc/25/41/13/556254113.db2.gz GDLGKCXTBUMQPP-KRWDZBQOSA-N 0 3 435.553 4.248 50 0 IIAAHN Fc1ccc(COc2cccc(CNCCSc3nnnn3-c3ccccc3)c2)cc1 ZINC000009249988 556267415 /nfs/dbraw/zinc/26/74/15/556267415.db2.gz FMOUDCRJMXETGF-UHFFFAOYSA-N 0 3 435.528 4.262 50 0 IIAAHN CCOc1cc(CNCc2ccc(OC)cc2)ccc1Oc1nnnn1-c1ccccc1 ZINC000013729654 556294719 /nfs/dbraw/zinc/29/47/19/556294719.db2.gz DIWSXPNQUVHHCH-UHFFFAOYSA-N 0 3 431.496 4.152 50 0 IIAAHN COc1ccccc1-c1cc(C(=O)N(C)[C@@H]2CCCN(CCCc3ccccc3)C2)[nH]n1 ZINC000011819275 556360997 /nfs/dbraw/zinc/36/09/97/556360997.db2.gz GCZVFIPZEJTYAZ-OAQYLSRUSA-N 0 3 432.568 4.255 50 0 IIAAHN C[C@@H](CCn1cccn1)NC(=O)c1ccc(OC2CCN(CCc3ccccc3)CC2)cc1 ZINC000011878245 556371084 /nfs/dbraw/zinc/37/10/84/556371084.db2.gz BTYYSVHVTYXCGZ-QFIPXVFZSA-N 0 3 446.595 4.178 50 0 IIAAHN COc1ccc(CCNC(=O)COc2ccc(-c3ccccc3)cc2CN(C)C)cc1OC ZINC000012035102 556389362 /nfs/dbraw/zinc/38/93/62/556389362.db2.gz UFDNVHFLQKUQDR-UHFFFAOYSA-N 0 3 448.563 4.170 50 0 IIAAHN Cn1nc(C(=O)N2CCCCCC2)c2c1CC[C@@H](NCc1nc(-c3ccccc3)cs1)C2 ZINC000014542700 556426391 /nfs/dbraw/zinc/42/63/91/556426391.db2.gz BVUJSJYHOJIDCR-LJQANCHMSA-N 0 3 449.624 4.207 50 0 IIAAHN CCN(CC)C(=O)[C@H]1CCCN(Cc2ccc3c(c2)CN(Cc2ccccc2)CCO3)C1 ZINC000014958912 556463564 /nfs/dbraw/zinc/46/35/64/556463564.db2.gz RBICZGAHVDWGTG-DEOSSOPVSA-N 0 3 435.612 4.162 50 0 IIAAHN O=C(NCc1ccccn1)c1cc2cc(C3(O)CCN(Cc4cccs4)CC3)ccc2o1 ZINC000014976246 556468967 /nfs/dbraw/zinc/46/89/67/556468967.db2.gz HLYZFTQPUDVXON-UHFFFAOYSA-N 0 3 447.560 4.303 50 0 IIAAHN COc1ccc([C@@H](CNC(=O)c2ccc3c(c2)C[C@H](c2ccccc2)OC3=O)N(C)C)cc1 ZINC000013128559 556477823 /nfs/dbraw/zinc/47/78/23/556477823.db2.gz FUVDNZQCNSVZDX-JWQCQUIFSA-N 0 3 444.531 4.182 50 0 IIAAHN COc1ccc([C@@H](CNC(=O)c2ccc3c(c2)C[C@@H](c2ccccc2)OC3=O)N(C)C)cc1 ZINC000013128561 556477832 /nfs/dbraw/zinc/47/78/32/556477832.db2.gz FUVDNZQCNSVZDX-RPBOFIJWSA-N 0 3 444.531 4.182 50 0 IIAAHN CC(=O)c1ccc(-c2cc(F)cc3c2O[C@H](CNC(=O)[C@H]2CCCCCN2C)C3)s1 ZINC000015001983 556480049 /nfs/dbraw/zinc/48/00/49/556480049.db2.gz SIYDXNJPITUCCD-PKOBYXMFSA-N 0 3 430.545 4.051 50 0 IIAAHN COc1cc(C[C@H]2CC(CNCCc3c[nH]c4ccc(Cl)cc34)=NO2)cc2c1OCO2 ZINC000015085773 556502569 /nfs/dbraw/zinc/50/25/69/556502569.db2.gz KIMBBEOIVQHYFH-SFHVURJKSA-N 0 3 441.915 4.078 50 0 IIAAHN COCc1cc(C)nc2sc(C(=O)N3c4ccc(C)cc4[C@H]4CN(C)CC[C@@H]43)c(N)c21 ZINC000015107425 556504241 /nfs/dbraw/zinc/50/42/41/556504241.db2.gz APVAMQAVSFCOAD-MJGOQNOKSA-N 0 3 436.581 4.090 50 0 IIAAHN CN(CC(=O)N[C@H](c1nccs1)c1ccccc1)C1CCN(c2ccc(F)cc2)CC1 ZINC000072305178 556550240 /nfs/dbraw/zinc/55/02/40/556550240.db2.gz YDMYYTCXQLLBAC-QHCPKHFHSA-N 0 3 438.572 4.089 50 0 IIAAHN CN(CC(=O)Nc1ccccc1Cc1ccccc1)C1CCN(CCc2ccccn2)CC1 ZINC000072308295 556565956 /nfs/dbraw/zinc/56/59/56/556565956.db2.gz NUTMLRCXOPUTHH-UHFFFAOYSA-N 0 3 442.607 4.250 50 0 IIAAHN CCN1CCN(CCCN(Cc2ccco2)C(=S)Nc2ccc(C)c(Cl)c2)CC1 ZINC000022939350 556587223 /nfs/dbraw/zinc/58/72/23/556587223.db2.gz CTHFPUVDOBFICV-UHFFFAOYSA-N 0 3 435.037 4.468 50 0 IIAAHN CCCOc1cccc([C@@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2CCCN(C)C)c1 ZINC000016750742 556637266 /nfs/dbraw/zinc/63/72/66/556637266.db2.gz PIBZLCUYWQYPEG-HSZRJFAPSA-N 0 3 434.536 4.387 50 0 IIAAHN C/C(=C\c1ccccc1)CN1CCC2(CC[C@H](CNC(=O)c3csc(C)n3)O2)CC1 ZINC000011881929 556668598 /nfs/dbraw/zinc/66/85/98/556668598.db2.gz QJXCRRGZDGFSDG-IYYMRFBLSA-N 0 3 425.598 4.298 50 0 IIAAHN CN(C)Cc1cccc(NC(=O)C[C@@H](c2ccc(Cl)c(Cl)c2)N2CCOCC2)c1 ZINC000253420243 556697722 /nfs/dbraw/zinc/69/77/22/556697722.db2.gz GKGWHKXKKVJIFU-NRFANRHFSA-N 0 3 436.383 4.457 50 0 IIAAHN COCc1ccc(CN2CCC[C@H](N3CCN(c4cccc(C(F)(F)F)c4)CC3)C2)o1 ZINC000019218766 556713473 /nfs/dbraw/zinc/71/34/73/556713473.db2.gz UCFKTSINIWTKBD-FQEVSTJZSA-N 0 3 437.506 4.231 50 0 IIAAHN COc1cc(C(=O)NC[C@H](c2ccc(C)cc2)N(C)C)ccc1OCc1c(C)noc1C ZINC000058157757 556763239 /nfs/dbraw/zinc/76/32/39/556763239.db2.gz FVFVUGHEPITKDE-JOCHJYFZSA-N 0 3 437.540 4.220 50 0 IIAAHN C[C@@H]1CCC[C@@H](N(Cc2ccc3c(c2)OCO3)Cc2cc(=O)n3ccsc3n2)[C@@H]1C ZINC000058175801 556769392 /nfs/dbraw/zinc/76/93/92/556769392.db2.gz ZOWQVRUMGDZNHN-GPMSIDNRSA-N 0 3 425.554 4.312 50 0 IIAAHN CCOc1ccccc1OCCCC(=O)Nc1cccc(N2CCN(CC3CC3)CC2)c1 ZINC000060021070 556805838 /nfs/dbraw/zinc/80/58/38/556805838.db2.gz PBLMJSPXOLLBQY-UHFFFAOYSA-N 0 3 437.584 4.415 50 0 IIAAHN Cc1nc(N2CCCCC2)cc(N2CCN(C(=O)Nc3cccc(Cl)c3C)CC2)n1 ZINC000067604861 556843902 /nfs/dbraw/zinc/84/39/02/556843902.db2.gz YXMUZDRBTAIHCW-UHFFFAOYSA-N 0 3 428.968 4.091 50 0 IIAAHN CCCN(Cc1ccc(OC)c(OC)c1)Cc1cc(=O)n2nc(-c3ccc(C)cc3)cc2[nH]1 ZINC000033126347 556867072 /nfs/dbraw/zinc/86/70/72/556867072.db2.gz ZQOYLJYSQWLFHQ-UHFFFAOYSA-N 0 3 446.551 4.427 50 0 IIAAHN Cn1cc(CN2CCC[C@@H](N3CCN(c4ccccc4F)CC3)C2)c(-c2ccccc2)n1 ZINC000019744125 556889731 /nfs/dbraw/zinc/88/97/31/556889731.db2.gz CIXRBKMMWCOMSF-HSZRJFAPSA-N 0 3 433.575 4.013 50 0 IIAAHN Brc1ccc(CN2CCN(C3CCN(Cc4ccccc4)CC3)CC2)cc1 ZINC000019788487 556914249 /nfs/dbraw/zinc/91/42/49/556914249.db2.gz QAMMYNZISXKLTP-UHFFFAOYSA-N 0 3 428.418 4.231 50 0 IIAAHN COc1cccc(Cn2c(=O)c(CN(C)C[C@@H](O)c3ccccc3)cc3ccc(F)cc32)c1 ZINC000019798702 556916772 /nfs/dbraw/zinc/91/67/72/556916772.db2.gz VACKITAKGWWKLE-AREMUKBSSA-N 0 3 446.522 4.363 50 0 IIAAHN Cc1ccc(OCCN2CCN(C[C@H](O)Cn3c4ccccc4c4ccccc43)CC2)cc1 ZINC000019866649 556934397 /nfs/dbraw/zinc/93/43/97/556934397.db2.gz GVGJONSSZLBTJH-QHCPKHFHSA-N 0 3 443.591 4.160 50 0 IIAAHN CCOc1ccc(CN2CCN(C[C@H](O)Cn3c4ccccc4c4ccccc43)CC2)cc1 ZINC000019891738 556939476 /nfs/dbraw/zinc/93/94/76/556939476.db2.gz OXQRYRABXLSCLE-QHCPKHFHSA-N 0 3 443.591 4.372 50 0 IIAAHN Cc1c(CN[C@H]2CCCN(Cc3ccc(CC(C)C)cc3)C2)c(=O)n(-c2ccccc2)n1C ZINC000020234707 557002394 /nfs/dbraw/zinc/00/23/94/557002394.db2.gz GWRHBECGUVLAJA-VWLOTQADSA-N 0 3 446.639 4.437 50 0 IIAAHN COc1cccc(OC)c1C(=O)C1CC(=O)Nc2c1c(C)nn2-c1ccc(Cl)cc1 ZINC000046057740 557029217 /nfs/dbraw/zinc/02/92/17/557029217.db2.gz ZOJREZPXVYRLDV-HNNXBMFYSA-N 0 3 425.872 4.160 50 0 IIAAHN Cc1ccc(NC(=O)CC2C(=O)N(Cc3ccccn3)c3nc4ccccc4n32)c(C)c1 ZINC000023382448 557089926 /nfs/dbraw/zinc/08/99/26/557089926.db2.gz VGZLGMJWAULUHI-QFIPXVFZSA-N 0 3 425.492 4.165 50 0 IIAAHN O=C(NC1CCN(C[C@@H](O)COc2ccc(Oc3ccccc3)cc2)CC1)c1ccccc1 ZINC000011507060 557155374 /nfs/dbraw/zinc/15/53/74/557155374.db2.gz PYETYOQNAOTSEZ-HSZRJFAPSA-N 0 3 446.547 4.113 50 0 IIAAHN CC(C)[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000027604948 557267316 /nfs/dbraw/zinc/26/73/16/557267316.db2.gz MTTBXRAOILEPBF-UYAOXDASSA-N 0 3 434.005 4.109 50 0 IIAAHN COc1cccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(Cl)cc4)[C@H]3C2=O)c1 ZINC000102720056 557375610 /nfs/dbraw/zinc/37/56/10/557375610.db2.gz WOETXSICZKRVLL-BHIFYINESA-N 0 3 434.879 4.400 50 0 IIAAHN COCCN(C[C@@H]1CN(Cc2cc(C)c(C)o2)C[C@@H]1c1cccc(F)c1)C(=O)C(C)C ZINC000105050986 557474732 /nfs/dbraw/zinc/47/47/32/557474732.db2.gz PEYPYEUNCXYNSV-XUZZJYLKSA-N 0 3 430.564 4.382 50 0 IIAAHN Cc1ccc2oc(=O)c3cc(C(=O)NCCCN4CCc5ccccc5C4)sc3c2c1 ZINC000008690980 562963297 /nfs/dbraw/zinc/96/32/97/562963297.db2.gz LKWBUAPDRQILMJ-UHFFFAOYSA-N 0 3 432.545 4.494 50 0 aggregator IIAAHN CCOC(=O)c1c2c(sc1NC(=O)COc1ccccc1F)C(C)(C)NC(C)(C)C2 ZINC000012974843 562983764 /nfs/dbraw/zinc/98/37/64/562983764.db2.gz XQLGYPKQVXSJTO-UHFFFAOYSA-N 0 3 434.533 4.241 50 0 IIAAHN FC(F)(F)c1cccc(N2CCN([C@H]3CCCN(Cc4cccc5c4OCO5)C3)CC2)c1 ZINC000023374165 568613829 /nfs/dbraw/zinc/61/38/29/568613829.db2.gz LDBZFFJBIMVVAT-NRFANRHFSA-N 0 3 447.501 4.221 50 0 IIAAHN COc1cc2nc(SCc3cccc(F)c3)n3c(nc(O)c3C(C)C)c2cc1OC ZINC000001399081 568785744 /nfs/dbraw/zinc/78/57/44/568785744.db2.gz JIBGAQKPUCEYOB-IBGZPJMESA-N 0 3 427.501 4.391 50 0 IIAAHN CCN1CCC(N(Cc2cccs2)C(=O)Nc2cc(OC)c(OC)c(OC)c2)CC1 ZINC000015679765 568805703 /nfs/dbraw/zinc/80/57/03/568805703.db2.gz WJCOMDBZVZQVLU-UHFFFAOYSA-N 0 3 433.574 4.292 50 0 IIAAHN COc1cccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc(C)cc4C)[C@H]3C2=O)c1 ZINC000245312508 568914828 /nfs/dbraw/zinc/91/48/28/568914828.db2.gz VFKCYELEJVTKDB-WXFUMESZSA-N 0 3 428.488 4.363 50 0 IIAAHN CCCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4cccc(O)c4)[C@H]3C2=O)cc1 ZINC000245327765 568915069 /nfs/dbraw/zinc/91/50/69/568915069.db2.gz QQENCQLIBAWUEO-WXFUMESZSA-N 0 3 444.487 4.232 50 0 IIAAHN COc1cc2c(cc1OC)CN(C[C@H]1C(=O)O[C@@H]3C[C@@]4(C)CCC[C@H](C)C4=C[C@@H]31)CC2 ZINC000006623693 568941959 /nfs/dbraw/zinc/94/19/59/568941959.db2.gz APKCVAIEWYWHDF-FXVKBQLMSA-N 0 3 425.569 4.376 50 0 biogenic IIAAHN Cc1ccc(C)c(NC(=O)Cn2c(=O)c3c(nc2C(C)C)CCN(Cc2ccccc2)C3)c1 ZINC000065153612 569112118 /nfs/dbraw/zinc/11/21/18/569112118.db2.gz VJWNEUARTNOILP-UHFFFAOYSA-N 0 3 444.579 4.181 50 0 IIAAHN COc1ccc([C@H]2CC(c3cc(Cl)ccc3[O-])=NC3(CC[NH+](C)CC3)N2)cc1OC ZINC000065298577 569132115 /nfs/dbraw/zinc/13/21/15/569132115.db2.gz RETABJDKAPIOHC-GOSISDBHSA-N 0 3 429.948 4.008 50 0 biogenic IIAAHN CSc1ccc(-c2nc3cnccn3c2Nc2cccc(C(=O)NCCN(C)C)c2)cc1 ZINC000065322635 569136708 /nfs/dbraw/zinc/13/67/08/569136708.db2.gz IYGXLXDQGQQPQG-UHFFFAOYSA-N 0 3 446.580 4.153 50 0 IIAAHN CN(C)CCNC(=O)c1cccc(Nc2c(-c3ccc(Cl)cc3)nc3cnccn32)c1 ZINC000065322633 569136763 /nfs/dbraw/zinc/13/67/63/569136763.db2.gz YKNMGGGGNDXOFF-UHFFFAOYSA-N 0 3 434.931 4.085 50 0 IIAAHN Cc1ccnc(C)c1C(=O)N1CCC(N2CCN(c3cccc(C(F)(F)F)c3)CC2)CC1 ZINC000252482609 569186473 /nfs/dbraw/zinc/18/64/73/569186473.db2.gz DKLFPFICOYMBKR-UHFFFAOYSA-N 0 3 446.517 4.144 50 0 IIAAHN CS[C@@H]1CN([C@H](C)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)C[C@H]1N1CCCC1 ZINC000252512285 569188882 /nfs/dbraw/zinc/18/88/82/569188882.db2.gz OUWAVVYBOMYYLB-CSMYWGQOSA-N 0 3 435.943 4.197 50 0 IIAAHN COCCN(C[C@@H]1CN(Cc2ccccc2F)C[C@@H]1c1cccc(F)c1)C(=O)C(C)C ZINC000037523703 569198704 /nfs/dbraw/zinc/19/87/04/569198704.db2.gz GTPXADIQRVKYFE-JTHBVZDNSA-N 0 3 430.539 4.311 50 0 IIAAHN Cc1nn(-c2ccccc2)c(Oc2ccccc2F)c1CCC(=O)NCCN1CCCC1 ZINC000037547177 569199952 /nfs/dbraw/zinc/19/99/52/569199952.db2.gz WROSHZJFLCEFIX-UHFFFAOYSA-N 0 3 436.531 4.257 50 0 IIAAHN S=C(N[C@H]1CCN(c2ccc(Cl)cc2)C1)NC1CCN(Cc2ccccc2)CC1 ZINC000253392691 569264275 /nfs/dbraw/zinc/26/42/75/569264275.db2.gz MHCVGVIBPMDMFM-NRFANRHFSA-N 0 3 429.033 4.047 50 0 IIAAHN COc1ccc2[nH]c3c(c2c1)CCN[C@@H]3c1ccc(OC)c(Cn2nnc3ccccc32)c1 ZINC000020112100 569334607 /nfs/dbraw/zinc/33/46/07/569334607.db2.gz ZMGLOVRSGSCIJP-RUZDIDTESA-N 0 3 439.519 4.213 50 0 biogenic IIAAHN CC(C)(C)c1ccc(S(=O)(=O)C2C(=O)N[C@]3(C)C[C@H]2c2cc(Cl)ccc2O3)cc1 ZINC000020436271 569365388 /nfs/dbraw/zinc/36/53/88/569365388.db2.gz DVDHTVMNXCIQGW-KPLVRAHFSA-N 0 3 433.957 4.192 50 0 IIAAHN CCN1CCN(c2ccc(NC(=O)Cc3cc(Cl)c4c(c3)OCCCO4)c(C)c2)CC1 ZINC000032209433 569460809 /nfs/dbraw/zinc/46/08/09/569460809.db2.gz NNGSROHHOPDXCU-UHFFFAOYSA-N 0 3 443.975 4.133 50 0 IIAAHN CNC(=O)c1ccc(CN(C[C@@H](O)Cn2c3ccccc3c3ccccc32)C2CC2)cc1 ZINC000040059680 569484729 /nfs/dbraw/zinc/48/47/29/569484729.db2.gz RDZYDJVFWAEOEP-JOCHJYFZSA-N 0 3 427.548 4.180 50 0 IIAAHN CN(CC(=O)Nc1cccc(S(=O)(=O)N(C)c2ccccc2)c1)C1CCCCCC1 ZINC000009315328 569522043 /nfs/dbraw/zinc/52/20/43/569522043.db2.gz ZYBMEACMXABQDD-UHFFFAOYSA-N 0 3 429.586 4.105 50 0 IIAAHN COC(=O)c1[nH]c2ccc(C)cc2c1NC(=O)CCN1CCN(c2cccc(C)c2C)CC1 ZINC000002283582 132251274 /nfs/dbraw/zinc/25/12/74/132251274.db2.gz LXAHPHUBBCCXRD-UHFFFAOYSA-N 0 3 448.567 4.031 50 0 IIAAHN Cc1cccc(N2CCN(C(=O)NC[C@@H](c3cccs3)N3CCC(C)CC3)CC2)c1 ZINC000008394921 132281531 /nfs/dbraw/zinc/28/15/31/132281531.db2.gz IJMZZPDLHNAWTE-QFIPXVFZSA-N 0 3 426.630 4.361 50 0 IIAAHN C[C@@H](NC[C@H](c1cccs1)c1c[nH]c2ccccc21)C(=O)N1CC(=O)Nc2ccccc21 ZINC000013128580 132345486 /nfs/dbraw/zinc/34/54/86/132345486.db2.gz HVPMQMJDUJEFQU-APWZRJJASA-N 0 3 444.560 4.325 50 0 IIAAHN CC(C)Cc1ccc(CN2CCc3nnc([C@H](NC(=O)c4ccoc4)C(C)C)n3CC2)cc1 ZINC000020992823 519438689 /nfs/dbraw/zinc/43/86/89/519438689.db2.gz LEAFFYREVKZLJM-XMMPIXPASA-N 0 3 449.599 4.255 50 0 IIAAHN CC(=O)NC[C@@H]1CCCN(Cc2cn(-c3ccc(F)cc3F)nc2-c2ccccc2C)C1 ZINC000012459456 519670764 /nfs/dbraw/zinc/67/07/64/519670764.db2.gz UXCJMPUKUUYIJP-IBGZPJMESA-N 0 3 438.522 4.474 50 0 IIAAHN CC(C)C[C@@H](C(=O)NCCN1CCC(Cc2ccccc2)CC1)N1Cc2ccccc2C1=O ZINC000020531409 519770096 /nfs/dbraw/zinc/77/00/96/519770096.db2.gz KIZPMWSBHAIPHB-SANMLTNESA-N 0 3 447.623 4.128 50 0 IIAAHN CC(C)[C@@H](NCC(=O)N1c2ccccc2NC(=O)C[C@@H]1C(F)(F)F)c1cccs1 ZINC000021315714 519798809 /nfs/dbraw/zinc/79/88/09/519798809.db2.gz ZLPLVMBMLKIENN-VQIMIIECSA-N 0 3 425.476 4.341 50 0 IIAAHN CCN(CC)CCOC(=O)c1ccc(NC(=O)c2noc3c2COc2ccc(C)cc2-3)cc1 ZINC000020509961 520691077 /nfs/dbraw/zinc/69/10/77/520691077.db2.gz ADKOSNWHABIOQC-UHFFFAOYSA-N 0 3 449.507 4.293 50 0 IIAAHN CC1CCN([C@@H](CNC(=O)CNC(=O)Cc2cccc3ccccc32)c2cccs2)CC1 ZINC000012816814 521034115 /nfs/dbraw/zinc/03/41/15/521034115.db2.gz CSHLYFWSWTYUOA-QHCPKHFHSA-N 0 3 449.620 4.149 50 0 IIAAHN CCOC(=O)[C@]1(CCOc2ccccc2)CCCN(Cc2cc(OC)c(O)c(OC)c2)C1 ZINC000012712112 521354250 /nfs/dbraw/zinc/35/42/50/521354250.db2.gz XMAXCEWCYWLICK-VWLOTQADSA-N 0 3 443.540 4.024 50 0 IIAAHN CCOC(=O)c1cc(-c2ccccc2)n(CC(=O)N2CCN(C3CCCCC3)CC2)c1C ZINC000020760313 521427637 /nfs/dbraw/zinc/42/76/37/521427637.db2.gz MAOMDFNXOIZHFJ-UHFFFAOYSA-N 0 3 437.584 4.117 50 0 IIAAHN CCN1CCC[C@H]1CNC(=O)CCC1CCN(Cc2nc(-c3cccs3)oc2C)CC1 ZINC000012431802 521655182 /nfs/dbraw/zinc/65/51/82/521655182.db2.gz KQZAPXGPTTVCQX-FQEVSTJZSA-N 0 3 444.645 4.304 50 0 IIAAHN COc1cc(C(=O)N2CCN(C3(c4ccccc4)CCCCC3)CC2)cc(OC)c1OC ZINC000012418505 522082270 /nfs/dbraw/zinc/08/22/70/522082270.db2.gz GQGMPZKNIRLTOT-UHFFFAOYSA-N 0 3 438.568 4.330 50 0 IIAAHN COc1cc2nc(-c3ccccc3)nc(N3CCN(c4ccncc4)CC3)c2cc1OC ZINC000012813762 523060627 /nfs/dbraw/zinc/06/06/27/523060627.db2.gz RBSSSEKMTPKMSU-UHFFFAOYSA-N 0 3 427.508 4.036 50 0 IIAAHN COc1ccc(-c2nc(C(=O)NC3CCN(Cc4ccccc4)CC3)cs2)cc1OC ZINC000012768615 523191463 /nfs/dbraw/zinc/19/14/63/523191463.db2.gz QLCITMPUZSMKOL-UHFFFAOYSA-N 0 3 437.565 4.222 50 0 IIAAHN CCn1cc([C@@H](CC(=O)NCCN2CCCC2)c2cc(OC)cc(OC)c2)c2ccccc21 ZINC000035872307 523461689 /nfs/dbraw/zinc/46/16/89/523461689.db2.gz GHAOAUCLQFFESW-DEOSSOPVSA-N 0 3 449.595 4.412 50 0 IIAAHN COc1ccc(CNC(=O)CC[C@@H]2CCCN(Cc3cc(C)c(O)c(C)c3)C2)c(OC)c1 ZINC000012373312 524048112 /nfs/dbraw/zinc/04/81/12/524048112.db2.gz PULALPZCLBOWLB-FQEVSTJZSA-N 0 3 440.584 4.335 50 0 IIAAHN Cc1ccc(CN2CCC(O)(c3ccc4oc(C(=O)NC[C@@H]5CCCO5)cc4c3)CC2)cc1 ZINC000011909666 524441104 /nfs/dbraw/zinc/44/11/04/524441104.db2.gz NILYSIPVGSVCPL-QHCPKHFHSA-N 0 3 448.563 4.134 50 0 IIAAHN Cc1ccc(CN2C[C@@H]3C[C@@H](c4ccc(Oc5ncccn5)cc4)N4CCC[C@@]34C2=O)o1 ZINC000012570523 524480177 /nfs/dbraw/zinc/48/01/77/524480177.db2.gz CIAQORYXKHBXFF-JTJYXVOQSA-N 0 3 430.508 4.108 50 0 IIAAHN Cc1ccc(Cl)cc1NC(=O)N1CCN(c2cc(N3CCCCC3)nc(C)n2)CC1 ZINC000021795868 524748694 /nfs/dbraw/zinc/74/86/94/524748694.db2.gz UAEFESHQDJUZDL-UHFFFAOYSA-N 0 3 428.968 4.091 50 0 IIAAHN C[C@@H](NCC(=O)Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1)c1ccc(F)cc1 ZINC000012532888 525412045 /nfs/dbraw/zinc/41/20/45/525412045.db2.gz DHHODUQJNDGTFN-OAQYLSRUSA-N 0 3 446.570 4.437 50 0 IIAAHN Cc1ccc(S(=O)(=O)N(c2ccc3c(c2)OCO3)C2CCN(CCC(C)C)CC2)cc1 ZINC000034683834 525513754 /nfs/dbraw/zinc/51/37/54/525513754.db2.gz XTLIIHDOSAFATA-UHFFFAOYSA-N 0 3 444.597 4.430 50 0 IIAAHN C[C@@H](NCc1ccccc1CN1CCOCC1)C(=O)Nc1ccccc1-c1ccccc1 ZINC000012758323 525537531 /nfs/dbraw/zinc/53/75/31/525537531.db2.gz BRDGGBRRTLIZIY-OAQYLSRUSA-N 0 3 429.564 4.303 50 0 IIAAHN COc1cccc(-c2noc(NCC3CCN(Cc4ccccc4F)CC3)n2)c1OC ZINC000021630997 525739897 /nfs/dbraw/zinc/73/98/97/525739897.db2.gz MCDGZAOJZLVZLL-UHFFFAOYSA-N 0 3 426.492 4.217 50 0 IIAAHN C[C@@]1(C2CCN(Cc3cc4ccccc4o3)CC2)NC(=O)N(C2Cc3ccccc3C2)C1=O ZINC000012213189 525825825 /nfs/dbraw/zinc/82/58/25/525825825.db2.gz ACRUXTXGDBUXKW-MHZLTWQESA-N 0 3 443.547 4.123 50 0 IIAAHN COc1cccc(CC2(CO)CCN(Cc3cc(F)ccc3-n3nc(C)cc3C)CC2)c1 ZINC000012297792 525877330 /nfs/dbraw/zinc/87/73/30/525877330.db2.gz DTEXIYUSULQFOF-UHFFFAOYSA-N 0 3 437.559 4.454 50 0 IIAAHN COc1cccc(CCNCc2c(C(=O)N3CCCCCCC3)nc3sccn23)c1 ZINC000020598953 525901396 /nfs/dbraw/zinc/90/13/96/525901396.db2.gz FMOCOAFBUCYLHN-UHFFFAOYSA-N 0 3 426.586 4.143 50 0 IIAAHN O=C(NC[C@@H]1CCCN(Cc2cnc(-c3ccccc3)s2)C1)c1[nH]nc2ccccc21 ZINC000012443431 526513738 /nfs/dbraw/zinc/51/37/38/526513738.db2.gz YQDBZWUURZJLCN-KRWDZBQOSA-N 0 3 431.565 4.328 50 0 IIAAHN Cc1nc(N2CCCCC2)cc(N2CCN(C(=O)Nc3ccccc3C(F)(F)F)CC2)n1 ZINC000021795187 526964559 /nfs/dbraw/zinc/96/45/59/526964559.db2.gz ZNHMEZDSQDEJHK-UHFFFAOYSA-N 0 3 448.493 4.148 50 0 IIAAHN O=C(NC1CCN(Cc2ccccc2)CC1)[C@@H]1CCCC[C@H]1C(=O)N1CCc2ccccc21 ZINC000022407055 527531009 /nfs/dbraw/zinc/53/10/09/527531009.db2.gz AODQPNYWAZRQLT-JWQCQUIFSA-N 0 3 445.607 4.163 50 0 IIAAHN Cn1nc(C(=O)NCCCN(Cc2ccco2)C2CCCC2)c2c1-c1ccccc1OC2 ZINC000020484930 527543678 /nfs/dbraw/zinc/54/36/78/527543678.db2.gz JSLFOUNLZLCVSR-UHFFFAOYSA-N 0 3 434.540 4.137 50 0 IIAAHN CCOC(=O)Nc1ccc2c(c1)N(C(=O)CCN(CC)CC)c1ccccc1[S@@]2=O ZINC000013154572 535411941 /nfs/dbraw/zinc/41/19/41/535411941.db2.gz TYCOHDNYAYQQMC-PMERELPUSA-N 0 3 429.542 4.132 50 0 IIAAHN O=C(Cc1ccc(N(Cc2ccc(F)cc2)C(=O)c2ccco2)cc1)NCCN1CCCC1 ZINC000034679672 555798660 /nfs/dbraw/zinc/79/86/60/555798660.db2.gz YIYPELLAZYUNJM-UHFFFAOYSA-N 0 3 449.526 4.020 50 0 IIAAHN COc1cc(CNCc2ccccc2)cc(Br)c1OCC(=O)NC(C)(C)C ZINC000008443872 556178694 /nfs/dbraw/zinc/17/86/94/556178694.db2.gz YZNVTJOYRNAGLJ-UHFFFAOYSA-N 0 3 435.362 4.041 50 0 IIAAHN COCCNC(=O)c1ccc(OC)cc1OC1CCN(Cc2ccc3ccccc3c2)CC1 ZINC000011710327 556347731 /nfs/dbraw/zinc/34/77/31/556347731.db2.gz VCFHJNNLJXJJSX-UHFFFAOYSA-N 0 3 448.563 4.268 50 0 IIAAHN CCN(C[C@@H]1CCCN(CCc2cccc(OC)c2)C1)C(=O)Nc1ccc2c(c1)OCO2 ZINC000011817756 556360078 /nfs/dbraw/zinc/36/00/78/556360078.db2.gz IGLWZWTXNSJLGA-HXUWFJFHSA-N 0 3 439.556 4.232 50 0 IIAAHN CC(C)CN1CCN(c2cccc3c2C(=O)N(Cc2cccc(C(F)(F)F)c2)C3=O)CC1 ZINC000011912720 556375622 /nfs/dbraw/zinc/37/56/22/556375622.db2.gz FJYWBECDBHXJDI-UHFFFAOYSA-N 0 3 445.485 4.280 50 0 IIAAHN CCN(CC)Cc1ccc2c(n1)sc(C(=O)OC)c2NC(=O)Cc1cccc(C)c1 ZINC000011913118 556375987 /nfs/dbraw/zinc/37/59/87/556375987.db2.gz RXIZIUYQQLFWIB-UHFFFAOYSA-N 0 3 425.554 4.414 50 0 IIAAHN O=C(COc1ccc(-c2nc(-c3ccccc3)no2)cc1)N1CCN(C2CCCCC2)CC1 ZINC000032579014 556406030 /nfs/dbraw/zinc/40/60/30/556406030.db2.gz YNXDLOVQQIJUEM-UHFFFAOYSA-N 0 3 446.551 4.259 50 0 IIAAHN CCN(CC)CCN(C(=O)c1ccc(C(=O)OC)cc1)c1nc2ccc(C)cc2s1 ZINC000004359438 556409393 /nfs/dbraw/zinc/40/93/93/556409393.db2.gz JADSKEIXIBIMGR-UHFFFAOYSA-N 0 3 425.554 4.380 50 0 IIAAHN COc1cc(C(=O)NC[C@@H](c2ccc(C)cc2)N2CCCCCC2)cc(OC)c1OC ZINC000027989289 556439291 /nfs/dbraw/zinc/43/92/91/556439291.db2.gz HVADJYHHOITVQB-NRFANRHFSA-N 0 3 426.557 4.368 50 0 IIAAHN COc1cc(C(=O)NC[C@H](c2ccc(C)cc2)N2CCCCCC2)cc(OC)c1OC ZINC000027989283 556439432 /nfs/dbraw/zinc/43/94/32/556439432.db2.gz HVADJYHHOITVQB-OAQYLSRUSA-N 0 3 426.557 4.368 50 0 IIAAHN CCc1c(C(=O)N2CCC(Cc3ccccc3)CC2)c(=O)cc(C)n1CCN1CCCCC1 ZINC000014885687 556455167 /nfs/dbraw/zinc/45/51/67/556455167.db2.gz ZYUXSUDGVHFAPI-UHFFFAOYSA-N 0 3 449.639 4.300 50 0 IIAAHN COc1cc(CN2CCC[C@@H](c3ccnc(SCCN4CCCC4)n3)C2)ccc1F ZINC000014976092 556468755 /nfs/dbraw/zinc/46/87/55/556468755.db2.gz GVROKSVHOWTVQR-LJQANCHMSA-N 0 3 430.593 4.192 50 0 IIAAHN COc1cc(NC(=O)N[C@H](CN2CCc3ccccc3C2)C(C)(C)C)ccc1NC(C)=O ZINC000072289427 556485126 /nfs/dbraw/zinc/48/51/26/556485126.db2.gz OHZOLLASUONXCB-HSZRJFAPSA-N 0 3 438.572 4.248 50 0 IIAAHN COCCN(Cc1c(OC)cccc1OC)CC1CCN(Cc2ccccc2F)CC1 ZINC000015062203 556490626 /nfs/dbraw/zinc/49/06/26/556490626.db2.gz OAFCFFLHRHHSPA-UHFFFAOYSA-N 0 3 430.564 4.204 50 0 IIAAHN CCN(CCn1cccn1)Cc1cn(Cc2ccccc2)nc1-c1ccc2c(c1)OCO2 ZINC000015064918 556492118 /nfs/dbraw/zinc/49/21/18/556492118.db2.gz SCFLVDOYQPPRKJ-UHFFFAOYSA-N 0 3 429.524 4.046 50 0 IIAAHN Cc1cc(O[C@H](C)C(=O)NC2CCN(Cc3ccccc3)CC2)c2c(C)c(C)c(=O)oc2c1 ZINC000013557107 556517169 /nfs/dbraw/zinc/51/71/69/556517169.db2.gz LWMAVQCSRNDZER-HXUWFJFHSA-N 0 3 448.563 4.266 50 0 IIAAHN CCc1nnc2c(NCCCN3CCN(c4cccc(C)c4)[C@@H](C)C3)nc3ccccc3n12 ZINC000016162624 556586677 /nfs/dbraw/zinc/58/66/77/556586677.db2.gz TYMWHFTVRWQVGA-FQEVSTJZSA-N 0 3 443.599 4.161 50 0 IIAAHN COc1cc(CN[C@@H](C)c2ccccc2)ccc1OCc1ccc2c(c1)n(C)c(=O)n2C ZINC000016576945 556616399 /nfs/dbraw/zinc/61/63/99/556616399.db2.gz MTSIOVQXHGDULI-SFHVURJKSA-N 0 3 431.536 4.315 50 0 IIAAHN CN(C)[C@@H](CNc1cnn(-c2ccc(C(F)(F)F)cn2)c(=O)c1Cl)C1CCCCC1 ZINC000032927007 556656125 /nfs/dbraw/zinc/65/61/25/556656125.db2.gz ABGVUXXEXYDKCU-INIZCTEOSA-N 0 3 443.901 4.222 50 0 IIAAHN O=C(Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1)c1ccc(-n2cccn2)cc1 ZINC000058161778 556765461 /nfs/dbraw/zinc/76/54/61/556765461.db2.gz QWFUALAOVALUFA-UHFFFAOYSA-N 0 3 437.547 4.447 50 0 IIAAHN CCNc1cc(N2CCN(C(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)CC2)nc(C)n1 ZINC000067603547 556843764 /nfs/dbraw/zinc/84/37/64/556843764.db2.gz NVPSNOHZFCVZDL-UHFFFAOYSA-N 0 3 442.873 4.243 50 0 IIAAHN Cc1nc(N2CCCCC2)cc(N2CCN(C(=O)c3ccc(-c4ccccc4)cc3)CC2)n1 ZINC000067614124 556844288 /nfs/dbraw/zinc/84/42/88/556844288.db2.gz YICLVNLFYZIPQG-UHFFFAOYSA-N 0 3 441.579 4.405 50 0 IIAAHN NS(=O)(=O)c1ccc(CCNCc2ccc(-c3cc(Cl)ccc3Cl)o2)cc1 ZINC000019990558 556956756 /nfs/dbraw/zinc/95/67/56/556956756.db2.gz ZKYQGFYWZZMQDI-UHFFFAOYSA-N 0 3 425.337 4.233 50 0 IIAAHN O=C(CC[C@@H]1CCCN(Cc2cc3ccccc3o2)C1)N1CCN(c2ccccn2)CC1 ZINC000023478581 557094015 /nfs/dbraw/zinc/09/40/15/557094015.db2.gz ZHNUZHYAWMWNFD-NRFANRHFSA-N 0 3 432.568 4.169 50 0 IIAAHN CCC(CC)C(=O)N(CCN(C)C)Cc1cc(NC(=O)CC(C)(C)C)ccc1N(C)C ZINC000006722108 557126193 /nfs/dbraw/zinc/12/61/93/557126193.db2.gz RNSCSWQQRNQBEN-UHFFFAOYSA-N 0 3 432.653 4.454 50 0 IIAAHN CCN1CCC(Nc2nc(CN3CCOCC3)nc3scc(-c4cccs4)c32)CC1 ZINC000023968234 557128238 /nfs/dbraw/zinc/12/82/38/557128238.db2.gz WMPPBDQYEGXCAP-UHFFFAOYSA-N 0 3 443.642 4.148 50 0 IIAAHN CCN1C(=O)N(C)C(=O)C12CCN(Cc1cccc(Oc3ccc(Cl)cc3)c1)CC2 ZINC000014748359 557227729 /nfs/dbraw/zinc/22/77/29/557227729.db2.gz ARZRFAJIFZPTMT-UHFFFAOYSA-N 0 3 427.932 4.381 50 0 IIAAHN Cc1ccc([C@H](CNC(=O)COc2ccc(Br)cc2)N2CCCCC2)cc1 ZINC000027581542 557266443 /nfs/dbraw/zinc/26/64/43/557266443.db2.gz CWHLUOIURNGUGF-NRFANRHFSA-N 0 3 431.374 4.480 50 0 IIAAHN C[C@@H](NCC(=O)Nc1ccc(CN2CCOCC2)cc1)c1ccc(-c2ccccc2)cc1 ZINC000014112739 557305127 /nfs/dbraw/zinc/30/51/27/557305127.db2.gz VZJDWRKGRFMLGB-OAQYLSRUSA-N 0 3 429.564 4.475 50 0 IIAAHN C[C@H]1CCCCN1CCNC(=O)Cn1ccc2c1ccnc2SCc1ccc(F)cc1 ZINC000033298589 557330771 /nfs/dbraw/zinc/33/07/71/557330771.db2.gz PTQQEZGBJTZVQF-SFHVURJKSA-N 0 3 440.588 4.458 50 0 IIAAHN CCOC(=O)c1c(NC(=O)CN(C)C2CCN(C)CC2)sc(C)c1-c1ccc(C)cc1 ZINC000014361499 557336523 /nfs/dbraw/zinc/33/65/23/557336523.db2.gz XKMKLNMMVYDQBO-UHFFFAOYSA-N 0 3 443.613 4.173 50 0 IIAAHN COc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc(Cl)cc4)[C@H]3C2=O)cc1 ZINC000102704659 557366078 /nfs/dbraw/zinc/36/60/78/557366078.db2.gz FOSNTVDHSDNFAX-YPAWHYETSA-N 0 3 434.879 4.400 50 0 IIAAHN CCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4cccc(F)c4)[C@H]3C2=O)cc1 ZINC000102760438 557385151 /nfs/dbraw/zinc/38/51/51/557385151.db2.gz GLVBQKOMRGPEFT-XPWALMASSA-N 0 3 432.451 4.276 50 0 IIAAHN COCc1cc(C)nc2sc(C(=O)N3c4ccc(C)cc4[C@@H]4CN(C)CC[C@H]43)c(N)c21 ZINC000105105730 557476081 /nfs/dbraw/zinc/47/60/81/557476081.db2.gz APVAMQAVSFCOAD-PKOBYXMFSA-N 0 3 436.581 4.090 50 0 IIAAHN CN(CCCNC(=O)C[C@@H](NC(=O)c1ccccc1)c1ccccc1)Cc1ccccc1 ZINC000045861793 557546003 /nfs/dbraw/zinc/54/60/03/557546003.db2.gz SEIALAUEUGMJGT-RUZDIDTESA-N 0 3 429.564 4.186 50 0 IIAAHN CCCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc(O)cc4)[C@@H]3C2=O)cc1 ZINC000229962260 557834390 /nfs/dbraw/zinc/83/43/90/557834390.db2.gz OXYHMUFBTGERQS-RBZQAINGSA-N 0 3 444.487 4.232 50 0 IIAAHN CC(C)N1CCC[C@H]1CNC(=O)c1cn(C2CCCC2)c(=O)c2c1c1ccccc1n2C ZINC000257355169 568731351 /nfs/dbraw/zinc/73/13/51/568731351.db2.gz OEYYOVRNPJSWTO-IBGZPJMESA-N 0 3 434.584 4.211 50 0 IIAAHN COc1cc2cc(CNCCc3ccccn3)c(=O)n(Cc3ccc(C)cc3)c2cc1OC ZINC000299777321 568757076 /nfs/dbraw/zinc/75/70/76/568757076.db2.gz NIABGOZHLATYKF-UHFFFAOYSA-N 0 3 443.547 4.103 50 0 IIAAHN CN(C)CCOC(=O)Nc1c(Br)cc(Br)cc1Br ZINC000000640972 568841694 /nfs/dbraw/zinc/84/16/94/568841694.db2.gz OAAXNADZRJEYQW-UHFFFAOYSA-N 0 3 444.949 4.084 50 0 IIAAHN COc1ccc(COC[C@H](O)CN2CCC[C@@H](c3nc4ccccc4s3)C2)cc1OC ZINC000016044492 568868713 /nfs/dbraw/zinc/86/87/13/568868713.db2.gz ZXDXTZCGQKIDNV-RTBURBONSA-N 0 3 442.581 4.071 50 0 IIAAHN CCc1ccc([C@@H](NC(=O)CNCCOc2ccccc2OC)c2cccc(F)c2)cc1 ZINC000016695505 568938921 /nfs/dbraw/zinc/93/89/21/568938921.db2.gz RXBUNAVWJFCAIE-AREMUKBSSA-N 0 3 436.527 4.271 50 0 IIAAHN CN(C)CCNC(=O)c1coc(CN(Cc2ccccc2)Cc2ccc(C(C)(C)C)cc2)n1 ZINC000036073088 568945677 /nfs/dbraw/zinc/94/56/77/568945677.db2.gz WIPGJQPQAZODDN-UHFFFAOYSA-N 0 3 448.611 4.466 50 0 IIAAHN CCN(CC)c1onc(-c2ccccc2)c1CN(C[C@@H](O)COCC(C)C)CC1CC1 ZINC000036246101 568981706 /nfs/dbraw/zinc/98/17/06/568981706.db2.gz YTQUCTZODGXUKQ-JOCHJYFZSA-N 0 3 429.605 4.433 50 0 IIAAHN C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1N(C)C(=O)c1cnc2c(F)cc(F)cc2c1[O-] ZINC000170600723 569142918 /nfs/dbraw/zinc/14/29/18/569142918.db2.gz DQAUQTUIKBZMFW-HZPDHXFCSA-N 0 3 439.506 4.447 50 0 IIAAHN O=C(NCCSc1ccc(Cl)cc1)[C@@H]1CCCN1C1CCN(CC(F)(F)F)CC1 ZINC000089793775 569164069 /nfs/dbraw/zinc/16/40/69/569164069.db2.gz PVJAQEZGQOQIKP-SFHVURJKSA-N 0 3 449.970 4.039 50 0 IIAAHN Nc1c2c(nn1Cc1ccccc1)nc(NCCN1CCCCC1)nc2-c1cccc(F)c1 ZINC000037360326 569181481 /nfs/dbraw/zinc/18/14/81/569181481.db2.gz VGNJPBSMZFZKPQ-UHFFFAOYSA-N 0 3 445.546 4.161 50 0 IIAAHN O=C(Cn1c(Cc2ccc(Cl)c(Cl)c2)nc2ccccc21)NCCN1CCCC1 ZINC000037397280 569193187 /nfs/dbraw/zinc/19/31/87/569193187.db2.gz IYTAWLFIPTVVNQ-UHFFFAOYSA-N 0 3 431.367 4.146 50 0 IIAAHN COc1ccc([C@@H]2N(c3ccccc3)OC3C(=O)N(c4ccc(C)cc4)C(=O)[C@]32C)cc1 ZINC000002360165 569286186 /nfs/dbraw/zinc/28/61/86/569286186.db2.gz MYERLJKKPCTZKL-FXSPECFOSA-N 0 3 428.488 4.445 50 0 IIAAHN O=C1C2ON(c3ccccc3)[C@@H](c3ccncc3)[C@@H]2C(=O)N1c1c(Cl)cccc1Cl ZINC000002396436 569298394 /nfs/dbraw/zinc/29/83/94/569298394.db2.gz MYCSDMQSSHIWLC-CMKODMSKSA-N 0 3 440.286 4.440 50 0 IIAAHN CNS(=O)(=O)c1cccc(CNc2c(C)c(C)nc3ccc(Br)cc32)c1 ZINC000078903774 569320214 /nfs/dbraw/zinc/32/02/14/569320214.db2.gz AEHOZDXKJVDZGN-UHFFFAOYSA-N 0 3 434.359 4.134 50 0 IIAAHN CCC(CC)(CC(=O)OC)NCC(=O)N1N=C(c2cccs2)C[C@@H]1c1cccs1 ZINC000079068498 569324414 /nfs/dbraw/zinc/32/44/14/569324414.db2.gz YUKZCVIPEPYQGJ-MRXNPFEDSA-N 0 3 433.599 4.199 50 0 IIAAHN O=C(C1CN(C(c2ccccc2)c2ccccc2)C1)N1CCN(Cc2ccccc2)CC1 ZINC000094993083 569355781 /nfs/dbraw/zinc/35/57/81/569355781.db2.gz NBCDEOGETXZCCJ-UHFFFAOYSA-N 0 3 425.576 4.052 50 0 IIAAHN CC(C)(C)CC(=O)N1CCC(N[C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)CC1 ZINC000095995891 569378836 /nfs/dbraw/zinc/37/88/36/569378836.db2.gz SDDWRWQRPUTHBX-GOSISDBHSA-N 0 3 426.388 4.116 50 0 IIAAHN COc1ccc(Br)cc1CCC(=O)N1CC[C@H](N2CCc3ccccc3C2)C1 ZINC000225685599 569406947 /nfs/dbraw/zinc/40/69/47/569406947.db2.gz NLWLIKKZPJCWHA-NRFANRHFSA-N 0 3 443.385 4.050 50 0 IIAAHN CCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc(C)cc4)[C@@H]3C2=O)cc1 ZINC000230028783 569417960 /nfs/dbraw/zinc/41/79/60/569417960.db2.gz AWTVSNZKEXJBJA-RBZQAINGSA-N 0 3 428.488 4.445 50 0 IIAAHN O=C(Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1)c1ccc(-c2nnco2)cc1 ZINC000057362622 569432048 /nfs/dbraw/zinc/43/20/48/569432048.db2.gz PCPZBPXMEMKDQF-UHFFFAOYSA-N 0 3 439.519 4.311 50 0 IIAAHN COc1ccc(CCC(=O)NC[C@H](c2cccs2)N2CCCC2)cc1Br ZINC000030511547 569443085 /nfs/dbraw/zinc/44/30/85/569443085.db2.gz JNQIBTFNTSYUDI-QGZVFWFLSA-N 0 3 437.403 4.405 50 0 IIAAHN CCN(CC)[C@@H](CNC(=O)/C=C/c1c(C)nc2sc(C)cn12)c1cccc(OC)c1 ZINC000058590707 569456444 /nfs/dbraw/zinc/45/64/44/569456444.db2.gz HYWCOPSFCFJXFY-VIOKTNGOSA-N 0 3 426.586 4.234 50 0 IIAAHN O=C(NCc1ccccc1CN1CCCCC1)[C@@H]1CCCN(C(=O)Nc2ccccc2)C1 ZINC000008855780 569479749 /nfs/dbraw/zinc/47/97/49/569479749.db2.gz HBVKJJPUEMEEKK-HSZRJFAPSA-N 0 3 434.584 4.233 50 0 IIAAHN COc1ccc(Cl)cc1NC(=O)[C@@H]1C[C@H](CC(C)C)N[C@]12C(=O)Nc1ccccc12 ZINC000008995672 569495688 /nfs/dbraw/zinc/49/56/88/569495688.db2.gz SLKDYJURTYHIJA-YGJVYZRNSA-N 0 3 427.932 4.159 50 0 IIAAHN O=c1cc(CNC2CCN(Cc3ccccc3)CC2)nc2scc(-c3ccccc3)n21 ZINC000040460150 569506516 /nfs/dbraw/zinc/50/65/16/569506516.db2.gz XPTCVJLOHSZKBA-UHFFFAOYSA-N 0 3 430.577 4.177 50 0 IIAAHN Cc1c2cc3c(cc2oc(=O)c1CC(=O)NCCN(C)C)occ3-c1ccc(Cl)cc1 ZINC000009304705 569521181 /nfs/dbraw/zinc/52/11/81/569521181.db2.gz LSAOUBKKBHZRAF-UHFFFAOYSA-N 0 3 438.911 4.388 50 0 IIAAHN CC[C@@H](C)[C@@H](NC(=O)OCc1ccccc1)C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000009612443 569552879 /nfs/dbraw/zinc/55/28/79/569552879.db2.gz JWTQCVWAAYGGOM-HYBUGGRVSA-N 0 3 437.584 4.108 50 0 IIAAHN COc1cc(C(=O)NC[C@@H](c2cccc3ccccc32)N2CCCC2)cc(OC)c1OC ZINC000010330538 569581038 /nfs/dbraw/zinc/58/10/38/569581038.db2.gz LMIHTFDGDVSHSW-QFIPXVFZSA-N 0 3 434.536 4.433 50 0 IIAAHN CCN1CCC[C@@H]1CNC(=O)c1ccc(-n2c(-c3ccccc3)nc3cccnc32)cc1 ZINC000020934125 521638102 /nfs/dbraw/zinc/63/81/02/521638102.db2.gz BTTIZUZPXPYDJA-JOCHJYFZSA-N 0 3 425.536 4.302 50 0 IIAAHN CCN1CCC[C@H]1CNC(=O)c1ccc(-n2c(-c3ccccc3)nc3cccnc32)cc1 ZINC000020934130 521657148 /nfs/dbraw/zinc/65/71/48/521657148.db2.gz BTTIZUZPXPYDJA-QFIPXVFZSA-N 0 3 425.536 4.302 50 0 IIAAHN COc1cc2c(cc1OC)[C@@H](C)N(CCN1CCc3cc(OC)c(OC)cc3[C@@H]1C)CC2 ZINC000035993562 523038473 /nfs/dbraw/zinc/03/84/73/523038473.db2.gz OIOVENDQAWCFQH-HDICACEKSA-N 0 3 440.584 4.259 50 0 biogenic IIAAHN COCCOC1CCN(Cc2cn(-c3ccccc3)nc2-c2ccc(OC)cc2F)CC1 ZINC000012587651 523975698 /nfs/dbraw/zinc/97/56/98/523975698.db2.gz GHFCVOYJUXUNOP-UHFFFAOYSA-N 0 3 439.531 4.314 50 0 IIAAHN CCc1ccc([C@H](CNC(=O)C2CCN(C(=O)c3ccc(Cl)cc3)CC2)N(C)C)cc1 ZINC000012780621 524048327 /nfs/dbraw/zinc/04/83/27/524048327.db2.gz OGJVSJUGCZUTEM-QHCPKHFHSA-N 0 3 442.003 4.174 50 0 IIAAHN COc1ccc(CSc2nc3cc(OC)c(OC)cc3c3nc(O)c(C(C)C)n32)cc1 ZINC000012856218 524123739 /nfs/dbraw/zinc/12/37/39/524123739.db2.gz VDRLEEOGZPBLDQ-FQEVSTJZSA-N 0 3 439.537 4.260 50 0 IIAAHN Cc1cc(CNC2CCN(c3ccc(NC(=O)c4ccc(C)cc4C)cc3)CC2)nn1C ZINC000012243015 524753922 /nfs/dbraw/zinc/75/39/22/524753922.db2.gz XBHVEVGLZOEASS-UHFFFAOYSA-N 0 3 431.584 4.356 50 0 IIAAHN C[C@H](NCc1ccccc1CN1CCOCC1)C(=O)Nc1ccccc1-c1ccccc1 ZINC000012758328 525462171 /nfs/dbraw/zinc/46/21/71/525462171.db2.gz BRDGGBRRTLIZIY-NRFANRHFSA-N 0 3 429.564 4.303 50 0 IIAAHN Cc1ccc(-n2cc(CN3CCC[C@H](c4nncn4C)C3)c(-c3ccc(F)cc3)n2)cc1 ZINC000020909081 525907434 /nfs/dbraw/zinc/90/74/34/525907434.db2.gz HHFJKABCAVFDBX-FQEVSTJZSA-N 0 3 430.531 4.495 50 0 IIAAHN O=C(c1nc2ccc(Cl)cn2c1CNCCc1cscn1)N1CCCCCCC1 ZINC000020907719 526918241 /nfs/dbraw/zinc/91/82/41/526918241.db2.gz QVBRATBKHAFYJU-UHFFFAOYSA-N 0 3 431.993 4.183 50 0 IIAAHN O=S(=O)([N-]c1ccc(N2CCC([NH2+]C3Cc4ccccc4C3)CC2)cc1)c1ccccc1 ZINC000012151624 527250105 /nfs/dbraw/zinc/25/01/05/527250105.db2.gz BIPXTSWTVRBPPA-UHFFFAOYSA-N 0 3 447.604 4.213 50 0 IIAAHN O=C(Nc1ccnn1C1CCN(C/C=C/c2ccccc2)CC1)c1ccc2c(c1)OCO2 ZINC000015066060 527459386 /nfs/dbraw/zinc/45/93/86/527459386.db2.gz QIZQKLXAAABKMA-QPJJXVBHSA-N 0 3 430.508 4.214 50 0 IIAAHN Cc1nn(-c2cccc(C)c2)c(-n2cccc2)c1C(=O)N1CCN(C2CCCCC2)CC1 ZINC000020979182 527534988 /nfs/dbraw/zinc/53/49/88/527534988.db2.gz PBNUWRPVARCWCY-UHFFFAOYSA-N 0 3 431.584 4.370 50 0 IIAAHN COc1cccc([C@H]2CN(Cc3cccn3C)C[C@H]2CN(CC(C)C)C(=O)C(C)C)c1 ZINC000034740314 555883292 /nfs/dbraw/zinc/88/32/92/555883292.db2.gz AATAXLOUXXIGDO-WIOPSUGQSA-N 0 3 425.617 4.390 50 0 IIAAHN COc1ccccc1CCNC(=O)[C@H]1CC12CCN(Cc1cc(C)c(OC)cc1C)CC2 ZINC000011813559 556356807 /nfs/dbraw/zinc/35/68/07/556356807.db2.gz CROYNWPWTJDGQV-HSZRJFAPSA-N 0 3 436.596 4.282 50 0 IIAAHN COc1cccc(CN2CCC[C@@H](CCC(=O)N3CCN(Cc4ccccc4)CC3)C2)c1 ZINC000011816448 556359086 /nfs/dbraw/zinc/35/90/86/556359086.db2.gz XSVKSOGOARFPIU-DEOSSOPVSA-N 0 3 435.612 4.032 50 0 IIAAHN COc1ccc(-c2nn(-c3ccccc3)cc2CN2CCC[C@@H](CNC(C)=O)C2)c(F)c1 ZINC000011816560 556359130 /nfs/dbraw/zinc/35/91/30/556359130.db2.gz QJROJJYKNFZCEF-IBGZPJMESA-N 0 3 436.531 4.035 50 0 IIAAHN O=C(NCc1ccccc1CN1CCCCC1)c1ccc(Cl)c(N2CCCC2=O)c1 ZINC000014068562 556360038 /nfs/dbraw/zinc/36/00/38/556360038.db2.gz MOICVWDFXLVEOI-UHFFFAOYSA-N 0 3 425.960 4.383 50 0 IIAAHN CCOc1ccccc1CN1CCC(CCC(=O)N2CCN(c3ccccc3)CC2)CC1 ZINC000011820938 556362439 /nfs/dbraw/zinc/36/24/39/556362439.db2.gz PJGWKYNMKUYJRP-UHFFFAOYSA-N 0 3 435.612 4.426 50 0 IIAAHN CO[C@H](C(=O)Nc1ccnn1C1CCN(Cc2cc(C)c(O)c(C)c2)CC1)c1ccccc1 ZINC000011879465 556371823 /nfs/dbraw/zinc/37/18/23/556371823.db2.gz MKLORABYUNRCIC-VWLOTQADSA-N 0 3 448.567 4.369 50 0 IIAAHN CN1CCCN(C(=O)[C@@H]2CC23CCN(Cc2cccc(Oc4ccccc4)c2)CC3)CC1 ZINC000012028135 556388154 /nfs/dbraw/zinc/38/81/54/556388154.db2.gz UBNUXBIWYOHUHO-VWLOTQADSA-N 0 3 433.596 4.245 50 0 IIAAHN CCn1nc(C(=O)N(C)Cc2ccco2)c2c1CC[C@@H](N1CC=C(c3ccccc3)CC1)C2 ZINC000014540907 556425519 /nfs/dbraw/zinc/42/55/19/556425519.db2.gz RPZNBAQNPNXOCX-JOCHJYFZSA-N 0 3 444.579 4.415 50 0 IIAAHN COCCCN1C(=O)N(Cc2ccccc2)C(=O)C12CCN(C/C=C/c1ccccc1)CC2 ZINC000014754090 556444469 /nfs/dbraw/zinc/44/44/69/556444469.db2.gz ZWJYZTPFOMBFAP-RIYZIHGNSA-N 0 3 447.579 4.035 50 0 IIAAHN CC(C)CN1CCCN(C(=O)C[C@@H](NC(=O)c2ccccc2Cl)c2ccccc2)CC1 ZINC000072281879 556463499 /nfs/dbraw/zinc/46/34/99/556463499.db2.gz ASUKKZDGMBETDH-HSZRJFAPSA-N 0 3 442.003 4.392 50 0 IIAAHN COc1ccc(C(=O)N2CCCC2)c(OC2CCN([C@@H](C)COc3ccccc3)CC2)c1 ZINC000014960049 556463535 /nfs/dbraw/zinc/46/35/35/556463535.db2.gz KAZUPSLQVNOPLS-FQEVSTJZSA-N 0 3 438.568 4.242 50 0 IIAAHN C/C(=C\c1ccccc1)CN1CCc2nnc([C@@H](C)NC(=O)CCc3ccccc3)n2CC1 ZINC000014963545 556464975 /nfs/dbraw/zinc/46/49/75/556464975.db2.gz CHFPCCGUJJPDDB-SNJAAQEYSA-N 0 3 443.595 4.050 50 0 IIAAHN Cc1cc(CN[C@@H]2CCc3c(sc4ncn(CCCc5ccccc5)c(=O)c34)C2)on1 ZINC000015006564 556481903 /nfs/dbraw/zinc/48/19/03/556481903.db2.gz NEIOKCHFVSFPCJ-GOSISDBHSA-N 0 3 434.565 4.034 50 0 IIAAHN Cc1ccc(NC(=O)CC2C(=O)N(Cc3cccnc3)c3nc4ccccc4n32)cc1C ZINC000030937584 556515308 /nfs/dbraw/zinc/51/53/08/556515308.db2.gz MNEKLIGYKNXTPV-JOCHJYFZSA-N 0 3 425.492 4.165 50 0 IIAAHN O=C(CCCc1ccccc1)Nc1ccnn1C1CCN(Cc2cccc3nonc32)CC1 ZINC000055358648 556740459 /nfs/dbraw/zinc/74/04/59/556740459.db2.gz QAXAFWVNXXVYKR-UHFFFAOYSA-N 0 3 444.539 4.218 50 0 IIAAHN CCCN1CCN(c2ncnc3sc(C(=O)NCc4ccc(CC)cc4)c(C)c32)CC1 ZINC000033048410 556744704 /nfs/dbraw/zinc/74/47/04/556744704.db2.gz GVAJSAMTJZLRFT-UHFFFAOYSA-N 0 3 437.613 4.024 50 0 IIAAHN O=C(CC1C(=O)N(C2CCCCC2)c2nc3ccccc3n21)Nc1ccc2c(c1)OCO2 ZINC000019817431 556920271 /nfs/dbraw/zinc/92/02/71/556920271.db2.gz KAUHKJPFTAVXCA-LJQANCHMSA-N 0 3 432.480 4.014 50 0 IIAAHN COc1ccc(OC)c(NC(=O)CCN2CCN(Cc3cccc4ccccc43)CC2)c1 ZINC000019883144 556937649 /nfs/dbraw/zinc/93/76/49/556937649.db2.gz IZSJMGMPTFSAGQ-UHFFFAOYSA-N 0 3 433.552 4.003 50 0 IIAAHN NS(=O)(=O)c1ccc(CCNCc2ccc(-c3cc(Cl)cc(Cl)c3)o2)cc1 ZINC000020018561 556963366 /nfs/dbraw/zinc/96/33/66/556963366.db2.gz UGWWQRKXYRRXRC-UHFFFAOYSA-N 0 3 425.337 4.233 50 0 IIAAHN Cc1nc(-c2cc(S(=O)(=O)NCCCN3CCC[C@@H](C)C3)c(C)s2)sc1C ZINC000033290111 557072301 /nfs/dbraw/zinc/07/23/01/557072301.db2.gz HOPNLRRLUUFKNV-CYBMUJFWSA-N 0 3 427.661 4.197 50 0 IIAAHN Cc1cc2c(ccnc2N2CCC[C@H](C(=O)N3CCN(C4CCCCC4)CC3)C2)s1 ZINC000033299562 557078212 /nfs/dbraw/zinc/07/82/12/557078212.db2.gz WZNXLACPDJJAMC-IBGZPJMESA-N 0 3 426.630 4.298 50 0 IIAAHN Cc1cc(C)cc(NC(=O)CC2C(=O)N(Cc3cccnc3)c3nc4ccccc4n32)c1 ZINC000023411335 557091424 /nfs/dbraw/zinc/09/14/24/557091424.db2.gz ZJVQRXMFMYMCCC-JOCHJYFZSA-N 0 3 425.492 4.165 50 0 IIAAHN O=C(CC[C@H]1CCCN(Cc2cc3ccccc3o2)C1)N1CCN(c2ccccn2)CC1 ZINC000023478583 557093859 /nfs/dbraw/zinc/09/38/59/557093859.db2.gz ZHNUZHYAWMWNFD-OAQYLSRUSA-N 0 3 432.568 4.169 50 0 IIAAHN CSc1ccccc1CN1CCC(CNC(=O)C2(c3ccccc3)CCOCC2)CC1 ZINC000049523431 557114537 /nfs/dbraw/zinc/11/45/37/557114537.db2.gz GQXFPAQMBIHETO-UHFFFAOYSA-N 0 3 438.637 4.485 50 0 IIAAHN CCOc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(F)cc4)C(=O)C3ON2c2ccccc2)cc1 ZINC000018143622 557242831 /nfs/dbraw/zinc/24/28/31/557242831.db2.gz HQSPYXVGXOZEBV-ZLNRFVROSA-N 0 3 432.451 4.276 50 0 IIAAHN CC1CCN([C@H](CNC(=O)Cc2ccc(N3CCCC3=O)cc2)c2cccs2)CC1 ZINC000018186161 557246539 /nfs/dbraw/zinc/24/65/39/557246539.db2.gz XIKGMFNBPMRQLN-OAQYLSRUSA-N 0 3 425.598 4.007 50 0 IIAAHN CC(C)[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000027604956 557267122 /nfs/dbraw/zinc/26/71/22/557267122.db2.gz MTTBXRAOILEPBF-AZUAARDMSA-N 0 3 434.005 4.109 50 0 IIAAHN O=C(NC1CCN(Cc2ccccc2)CC1)c1nc(-c2ccccc2)n(-c2ccccc2)n1 ZINC000014083438 557299652 /nfs/dbraw/zinc/29/96/52/557299652.db2.gz QPHBDQPYAAZGSD-UHFFFAOYSA-N 0 3 437.547 4.329 50 0 IIAAHN O=C(NC[C@H](c1ccccc1)N1CCCC1)c1ccc2c(c1)nc1n(c2=O)CCCCCC1 ZINC000023554588 557366189 /nfs/dbraw/zinc/36/61/89/557366189.db2.gz KKUQVLVADUXOMN-XMMPIXPASA-N 0 3 444.579 4.080 50 0 IIAAHN C[C@H](CNC(=O)c1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F)N1CCC[C@H](C)C1 ZINC000106926277 557533600 /nfs/dbraw/zinc/53/36/00/557533600.db2.gz PKORKFLCUDXWMW-UONOGXRCSA-N 0 3 428.886 4.395 50 0 IIAAHN COc1ccccc1[C@@H]1[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)C2ON1c1ccccc1 ZINC000226983507 557811532 /nfs/dbraw/zinc/81/15/32/557811532.db2.gz HKVSAYZUUFBPRN-BHDDXSALSA-N 0 3 434.879 4.400 50 0 IIAAHN O=C1C2ON(c3ccccc3)[C@@H](c3cccnc3)[C@H]2C(=O)N1c1ccc(Cl)c(Cl)c1 ZINC000006576886 562947328 /nfs/dbraw/zinc/94/73/28/562947328.db2.gz FYHTYUXWMHZIRA-HSALFYBXSA-N 0 3 440.286 4.440 50 0 IIAAHN O[C@H](COc1ccccc1CNC1(c2ccccc2)CC1)CN1CCc2ccccc2C1 ZINC000012301219 568612985 /nfs/dbraw/zinc/61/29/85/568612985.db2.gz NECGDKSXTQVGPH-SANMLTNESA-N 0 3 428.576 4.264 50 0 IIAAHN Cc1ccc(S(C)(=O)=O)cc1NC(=O)CN[C@H](c1ccc(CC(C)C)cc1)C1CC1 ZINC000084185776 568795816 /nfs/dbraw/zinc/79/58/16/568795816.db2.gz BKEVUHBXADSVGP-XMMPIXPASA-N 0 3 428.598 4.276 50 0 IIAAHN CC(C)Cc1ccc([C@@H](NCC(=O)Nc2cc(S(C)(=O)=O)ccc2F)C(C)C)cc1 ZINC000084575138 568798780 /nfs/dbraw/zinc/79/87/80/568798780.db2.gz ZCDQIUVOEHJMOU-QHCPKHFHSA-N 0 3 434.577 4.353 50 0 IIAAHN Nc1nc(N)c2c(cccc2OCC2CCN(Cc3c(Cl)cccc3Cl)CC2)n1 ZINC000118210078 568884934 /nfs/dbraw/zinc/88/49/34/568884934.db2.gz MNLHFGXIUJNDAF-UHFFFAOYSA-N 0 3 432.355 4.392 50 0 IIAAHN CN(C)[C@@H](Cn1cnc2c3c(sc2c1=O)SCC(=O)N3)c1ccc(C(C)(C)C)cc1 ZINC000035671332 568897278 /nfs/dbraw/zinc/89/72/78/568897278.db2.gz YXPMPOQRNVXUHY-HNNXBMFYSA-N 0 3 442.610 4.103 50 0 IIAAHN O=C(NC[C@H](c1ccccc1)N1CCCC1)c1ccc(=O)n(Cc2ccccc2Cl)c1 ZINC000013009835 568899984 /nfs/dbraw/zinc/89/99/84/568899984.db2.gz RUBGGYQCPATCCU-HSZRJFAPSA-N 0 3 435.955 4.117 50 0 IIAAHN COc1cccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(SC)cc4)[C@@H]3C2=O)c1 ZINC000138935168 568909410 /nfs/dbraw/zinc/90/94/10/568909410.db2.gz GWDKFFDTNYDZTC-RJGXRXQPSA-N 0 3 446.528 4.468 50 0 IIAAHN COc1ccc(N2C(=O)C3ON(c4ccc(Cl)cc4)[C@H](c4cccs4)[C@H]3C2=O)cc1 ZINC000238937459 568910455 /nfs/dbraw/zinc/91/04/55/568910455.db2.gz VOOMCSJTSLNGRL-VAMGGRTRSA-N 0 3 440.908 4.461 50 0 IIAAHN COc1ccc([C@H](C)NC(=O)C2CCN(Cc3cn(C)c4ccccc34)CC2)cc1OC ZINC000064669606 568943538 /nfs/dbraw/zinc/94/35/38/568943538.db2.gz FFFQQCRWQMSXAI-SFHVURJKSA-N 0 3 435.568 4.285 50 0 IIAAHN CC(C)CCNC(=O)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CCN(C3CCCC3)C[C@@H]12 ZINC000169679287 568990810 /nfs/dbraw/zinc/99/08/10/568990810.db2.gz VPVXXTXZQRMNHA-IRLDBZIGSA-N 0 3 437.550 4.473 50 0 IIAAHN CC(C)CCN(CC(=O)N1CCc2sccc2[C@@H]1COc1cccc(F)c1)C[C@@H](C)O ZINC000036309684 568996445 /nfs/dbraw/zinc/99/64/45/568996445.db2.gz ZZBAMBKDMQAPGE-GCJKJVERSA-N 0 3 448.604 4.121 50 0 IIAAHN COc1cccc(C(=O)N(CCN(C)C)Cc2c(-c3ccccc3)noc2N2CCCC2)c1 ZINC000036312440 568997817 /nfs/dbraw/zinc/99/78/17/568997817.db2.gz CTOLVNZSFBWYGQ-UHFFFAOYSA-N 0 3 448.567 4.154 50 0 IIAAHN COc1ccc(-c2noc3nc(C4CC4)cc(C(=O)N[C@H](C)CN4CCCCC4)c32)cc1 ZINC000036618896 569124537 /nfs/dbraw/zinc/12/45/37/569124537.db2.gz PNOOURYKMCTJLI-MRXNPFEDSA-N 0 3 434.540 4.380 50 0 IIAAHN CN(C)CCNC(=O)c1cc2scc(Br)c2n1Cc1ccc(F)c(F)c1 ZINC000037542861 569199472 /nfs/dbraw/zinc/19/94/72/569199472.db2.gz MIZHOOFGEUDTOW-UHFFFAOYSA-N 0 3 442.329 4.083 50 0 IIAAHN O=C(NCc1cccs1)[C@@H]1CC12CCN(Cc1ccc(Oc3ncccn3)cc1)CC2 ZINC000015067284 569256736 /nfs/dbraw/zinc/25/67/36/569256736.db2.gz VWMDWSODWPCWMF-NRFANRHFSA-N 0 3 434.565 4.249 50 0 IIAAHN CC1CCN([C@@H](CNC(=O)CCc2nc(-c3cccs3)no2)c2cccs2)CC1 ZINC000027574537 569273817 /nfs/dbraw/zinc/27/38/17/569273817.db2.gz APAOVKHWJALBJJ-INIZCTEOSA-N 0 3 430.599 4.382 50 0 IIAAHN COc1cc2nc(SCc3ccc(F)cc3)n3c(nc(O)c3C(C)C)c2cc1OC ZINC000008873495 569291686 /nfs/dbraw/zinc/29/16/86/569291686.db2.gz LBXXQNGZYKAYOP-IBGZPJMESA-N 0 3 427.501 4.391 50 0 IIAAHN CN1CCc2c(sc3nc(SCCN4CCCCC4)n(-c4ccccc4)c(=O)c32)C1 ZINC000002430209 569302872 /nfs/dbraw/zinc/30/28/72/569302872.db2.gz AKOMSDAKDFSCHX-UHFFFAOYSA-N 0 3 440.638 4.013 50 0 IIAAHN O=C(COc1ccc(C(=O)c2ccccc2)cc1)NC[C@H](c1ccccc1)N1CCCC1 ZINC000013095708 569309505 /nfs/dbraw/zinc/30/95/05/569309505.db2.gz CERZXCAKZXUZOP-RUZDIDTESA-N 0 3 428.532 4.250 50 0 IIAAHN Cc1sc2ccn(CC(C)C)c(=O)c2c1C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000097161270 569403141 /nfs/dbraw/zinc/40/31/41/569403141.db2.gz HBUZQKFUPWEFHS-UHFFFAOYSA-N 0 3 437.609 4.422 50 0 IIAAHN COc1cccc(-c2nn(Cc3ccccc3)cc2C(=O)NC[C@H](C)N2CCCCC2)c1 ZINC000040157561 569494308 /nfs/dbraw/zinc/49/43/08/569494308.db2.gz UTWHYBUJUGEQOL-FQEVSTJZSA-N 0 3 432.568 4.211 50 0 IIAAHN CCN(CC)CCN1C(=O)c2oc3cc(C)c(C)cc3c(=O)c2[C@H]1c1ccc(OC)cc1 ZINC000009328298 569522824 /nfs/dbraw/zinc/52/28/24/569522824.db2.gz AFPGJXKBBFKVIW-HSZRJFAPSA-N 0 3 434.536 4.305 50 0 IIAAHN CCCN(CCC)CCNC(=O)c1cc2c(s1)-c1ccc(Cl)cc1S(=O)(=O)C2 ZINC000009407686 569530304 /nfs/dbraw/zinc/53/03/04/569530304.db2.gz DWYKBUDRJCMASX-UHFFFAOYSA-N 0 3 441.018 4.208 50 0 IIAAHN CN(CCCNC(=O)[C@@H]1c2ccccc2C(=O)N(C)[C@@H]1c1cccs1)Cc1ccccc1 ZINC000009432375 569534385 /nfs/dbraw/zinc/53/43/85/569534385.db2.gz VRVVRZMLMVKKCY-DNQXCXABSA-N 0 3 447.604 4.297 50 0 IIAAHN CCCN1CCC2(CC1)Oc1c(OC)cccc1[C@@H]1CC(c3ccc4c(c3)OCO4)=NN12 ZINC000009462299 569537230 /nfs/dbraw/zinc/53/72/30/569537230.db2.gz HVGAINKJRAMERO-FQEVSTJZSA-N 0 3 435.524 4.170 50 0 IIAAHN CCN1CCC[C@@H]1CNC(=O)c1cc(Nc2ccc(OC)cc2OC)nc2ccccc21 ZINC000009680629 569560051 /nfs/dbraw/zinc/56/00/51/569560051.db2.gz YWXYHMPUTHWOQI-QGZVFWFLSA-N 0 3 434.540 4.210 50 0 IIAAHN COc1ccc(-c2noc(NCC3CCN(Cc4ccccc4F)CC3)n2)cc1OC ZINC000009726893 569563923 /nfs/dbraw/zinc/56/39/23/569563923.db2.gz ULMUGYQWDQXEPL-UHFFFAOYSA-N 0 3 426.492 4.217 50 0 IIAAHN Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000010043011 569577486 /nfs/dbraw/zinc/57/74/86/569577486.db2.gz UFHWFKDAGNYCBC-UHFFFAOYSA-N 0 3 441.579 4.213 50 0 IIAAHN COc1cccc([C@H]2c3c(oc4cc(C)c(Cl)cc4c3=O)C(=O)N2CCCN(C)C)c1 ZINC000010233086 569579420 /nfs/dbraw/zinc/57/94/20/569579420.db2.gz FECVMEBFOJLBEN-NRFANRHFSA-N 0 3 440.927 4.260 50 0 IIAAHN CCN(CC)CCN1C(=O)c2oc3cc(OC)ccc3c(=O)c2[C@@H]1c1cccc(Cl)c1 ZINC000010233207 569579475 /nfs/dbraw/zinc/57/94/75/569579475.db2.gz WDAADANJQZIPLP-NRFANRHFSA-N 0 3 440.927 4.342 50 0 IIAAHN COc1ccc([C@H]2CN(Cc3ccccn3)C[C@H]2CN(Cc2ccc(F)cc2)C(C)=O)cc1 ZINC000034699352 569587554 /nfs/dbraw/zinc/58/75/54/569587554.db2.gz HEIHNEJRGMHETE-WNCULLNHSA-N 0 3 447.554 4.494 50 0 IIAAHN C[C@H](NC[C@H](c1c[nH]c2ccccc21)c1ccccc1)C(=O)N1CC(=O)Nc2ccccc21 ZINC000009782265 132328924 /nfs/dbraw/zinc/32/89/24/132328924.db2.gz PGRLJYCUTGFIBC-RXVVDRJESA-N 0 3 438.531 4.263 50 0 IIAAHN O=C(/C=C/c1cn(-c2ccccc2)nc1-c1ccccc1)N1CCN(c2ccncc2)CC1 ZINC000009789310 132329076 /nfs/dbraw/zinc/32/90/76/132329076.db2.gz LDCUONMTARKGPU-VAWYXSNFSA-N 0 3 435.531 4.296 50 0 IIAAHN CC(C)[C@H](NCC(=O)Nc1cc(C(F)(F)F)ccc1-n1cncn1)c1ccc(F)cc1 ZINC000012766073 519820566 /nfs/dbraw/zinc/82/05/66/519820566.db2.gz VHKYMJWQEBNAIE-FQEVSTJZSA-N 0 3 435.425 4.351 50 0 IIAAHN CCOc1ccc2nc(N3CCCN(Cc4ccc(NC(C)=O)cc4)CC3)nc(C)c2c1 ZINC000012191362 521302462 /nfs/dbraw/zinc/30/24/62/521302462.db2.gz AAZANXGLTHWMSP-UHFFFAOYSA-N 0 3 433.556 4.008 50 0 IIAAHN CCN1C(=O)N(Cc2ccccn2)C(=O)C12CCN(Cc1ccccc1-c1ccco1)CC2 ZINC000020866325 521526837 /nfs/dbraw/zinc/52/68/37/521526837.db2.gz RYRYBJHVKWKRFS-UHFFFAOYSA-N 0 3 444.535 4.161 50 0 IIAAHN CCN1CCC[C@@H]1CNC(=O)CCC1CCN(Cc2nc(-c3cccs3)oc2C)CC1 ZINC000012431801 521634072 /nfs/dbraw/zinc/63/40/72/521634072.db2.gz KQZAPXGPTTVCQX-HXUWFJFHSA-N 0 3 444.645 4.304 50 0 IIAAHN CCN1CCN(c2ccc(NC(=O)CNC(c3ccccc3)c3ccccc3)cc2)CC1 ZINC000057290029 521698459 /nfs/dbraw/zinc/69/84/59/521698459.db2.gz CQXWIMWUVNULDH-UHFFFAOYSA-N 0 3 428.580 4.146 50 0 IIAAHN CN(C[C@H]1CCCCN1C)C(=O)CCc1nnc(C2(c3ccc(Cl)cc3)CCC2)o1 ZINC000012315578 523104595 /nfs/dbraw/zinc/10/45/95/523104595.db2.gz BULBOBKHERWKQW-LJQANCHMSA-N 0 3 430.980 4.068 50 0 IIAAHN CN(Cc1ccccc1)C1(CNC(=O)c2ccccc2-c2ncc[nH]2)Cc2ccccc2C1 ZINC000020998289 523343109 /nfs/dbraw/zinc/34/31/09/523343109.db2.gz NFISKXNRMAXVAH-UHFFFAOYSA-N 0 3 436.559 4.476 50 0 IIAAHN COc1ccc(NC(=O)CCC2CCN(Cc3ccc4c(c3)OCCO4)CC2)c(OC)c1 ZINC000012206610 524476011 /nfs/dbraw/zinc/47/60/11/524476011.db2.gz APUUTVGFBXJPRB-UHFFFAOYSA-N 0 3 440.540 4.106 50 0 IIAAHN Cc1ccc(CNCc2cccn2-c2nnc(N3CCN(c4ccccc4)CC3)s2)cc1 ZINC000020576458 524586521 /nfs/dbraw/zinc/58/65/21/524586521.db2.gz PIJMVQJRWDNTST-UHFFFAOYSA-N 0 3 444.608 4.254 50 0 IIAAHN C[C@H](NCC(=O)Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1)c1ccc(F)cc1 ZINC000012532890 525306572 /nfs/dbraw/zinc/30/65/72/525306572.db2.gz DHHODUQJNDGTFN-NRFANRHFSA-N 0 3 446.570 4.437 50 0 IIAAHN Cc1ccc(-c2cc(C(F)(F)F)n3ncc(C(=O)OC[C@@H]4CCCCN4C)c3n2)cc1 ZINC000021789079 525732050 /nfs/dbraw/zinc/73/20/50/525732050.db2.gz WHNDBNVHEBJKAL-INIZCTEOSA-N 0 3 432.446 4.365 50 0 IIAAHN O=C(NCCc1ccccn1)c1ccc(OC2CCN(CCc3ccccc3)CC2)cc1 ZINC000012307834 526434391 /nfs/dbraw/zinc/43/43/91/526434391.db2.gz RSPIRFIELJNCPK-UHFFFAOYSA-N 0 3 429.564 4.140 50 0 IIAAHN O=C(Nc1cccc(-n2cccn2)c1)[C@H]1CCCN(Cc2ccc(-c3cc[nH]n3)s2)C1 ZINC000012438937 527318939 /nfs/dbraw/zinc/31/89/39/527318939.db2.gz VBNTUDQREAPGFY-KRWDZBQOSA-N 0 3 432.553 4.175 50 0 IIAAHN O[C@H](CCN1CCN(C(c2ccccc2)c2ccccc2)CC1)C(F)(F)C(F)(F)F ZINC000022872962 527683275 /nfs/dbraw/zinc/68/32/75/527683275.db2.gz SIZBTPAYTFYIRC-LJQANCHMSA-N 0 3 428.445 4.342 50 0 IIAAHN CN(C)CCNC(=O)/C(=C/c1ccc(-c2cccc(Cl)c2)o1)NC(=O)c1ccccc1 ZINC000002678696 555798204 /nfs/dbraw/zinc/79/82/04/555798204.db2.gz AEUWMQFRJPQDEX-PGMHBOJBSA-N 0 3 437.927 4.049 50 0 IIAAHN Cc1ccc(CN(C(=O)c2ccco2)c2ccc(CC(=O)NCCN3CCCC3)cc2)cc1 ZINC000034679751 555800114 /nfs/dbraw/zinc/80/01/14/555800114.db2.gz OOMMAKBOUFRAAT-UHFFFAOYSA-N 0 3 445.563 4.190 50 0 IIAAHN c1ccc(CN2CCC(Nc3nc4ccccc4c4nc(-c5cccnc5)nn43)CC2)cc1 ZINC000009831078 556312347 /nfs/dbraw/zinc/31/23/47/556312347.db2.gz XJFZSUHPCUELNG-UHFFFAOYSA-N 0 3 435.535 4.416 50 0 IIAAHN O=C(CSc1ccccc1)NC[C@H]1CCC2(CCN(Cc3ccccc3F)CC2)O1 ZINC000011880570 556372434 /nfs/dbraw/zinc/37/24/34/556372434.db2.gz YAJLQWKRSWKABK-HXUWFJFHSA-N 0 3 428.573 4.248 50 0 IIAAHN Cc1cccc(-n2ncc3c2CCC[C@H]3NCc2cn(CC(N)=O)c3ccccc23)c1C ZINC000011938081 556379436 /nfs/dbraw/zinc/37/94/36/556379436.db2.gz LISKTHGLIAROMH-JOCHJYFZSA-N 0 3 427.552 4.096 50 0 IIAAHN O=C1N(Cc2cccc(Cl)c2)C[C@@H]2C[C@@H](c3cccn3-c3ccccn3)N3CCC[C@@]123 ZINC000012316012 556403312 /nfs/dbraw/zinc/40/33/12/556403312.db2.gz DZHTXULHUPVGFH-JTJYXVOQSA-N 0 3 432.955 4.464 50 0 IIAAHN CCn1nc(C(=O)N2CCCCCC2)c2c1CC[C@H](NCc1nc3ccccc3s1)C2 ZINC000014533153 556421549 /nfs/dbraw/zinc/42/15/49/556421549.db2.gz MZKMWNBLXHLYCD-KRWDZBQOSA-N 0 3 437.613 4.176 50 0 IIAAHN Cc1nn(C)c2nc(-c3ccccc3)cc(C(=O)NC3CCN(Cc4ccccc4)CC3)c12 ZINC000013011789 556435911 /nfs/dbraw/zinc/43/59/11/556435911.db2.gz DNBYHUYQJURDIL-UHFFFAOYSA-N 0 3 439.563 4.338 50 0 IIAAHN CCN1C(=O)N(CCCc2cccnc2)C(=O)C12CCN(Cc1cc3ccccc3o1)CC2 ZINC000014742624 556439276 /nfs/dbraw/zinc/43/92/76/556439276.db2.gz SSZPSRUADMDXJN-UHFFFAOYSA-N 0 3 446.551 4.079 50 0 IIAAHN Cc1cc(C)c(CN2CCc3nnc([C@@H](C)NC(=O)CCc4ccccc4)n3CC2)cc1C ZINC000014878633 556452114 /nfs/dbraw/zinc/45/21/14/556452114.db2.gz BAGKDXNTTQDNSI-JOCHJYFZSA-N 0 3 445.611 4.072 50 0 IIAAHN Cc1cc(C(=O)N(C)[C@H](Cc2ccccc2)C2CCN(Cc3ccc(F)cc3)CC2)n(C)n1 ZINC000014878757 556452513 /nfs/dbraw/zinc/45/25/13/556452513.db2.gz OTKWICJQMVLSKY-RUZDIDTESA-N 0 3 448.586 4.463 50 0 IIAAHN Cc1cc(C)cc(C(=O)N[C@H](CC(C)C)c2nnc3n2CCN(CCC(C)C)CC3)c1 ZINC000014958138 556463100 /nfs/dbraw/zinc/46/31/00/556463100.db2.gz NHBLNSJZCGHRGQ-JOCHJYFZSA-N 0 3 425.621 4.316 50 0 IIAAHN O=C(COc1ccc(C(=O)c2ccccc2)cc1)NC1CCN(Cc2ccccc2)CC1 ZINC000013117605 556470419 /nfs/dbraw/zinc/47/04/19/556470419.db2.gz SHHUPGSHGSNPDB-UHFFFAOYSA-N 0 3 428.532 4.077 50 0 in-vitro IIAAHN CC(C)c1ccc(CN2CCc3nnc([C@H](NC(=O)c4ccoc4)C(C)C)n3CC2)cc1 ZINC000014994063 556476494 /nfs/dbraw/zinc/47/64/94/556476494.db2.gz RLJNOXRDVYBBRT-HSZRJFAPSA-N 0 3 435.572 4.180 50 0 IIAAHN Cc1nnc(-c2cccc(NC(=O)C3CCN(Cc4ccc5c(c4)CCO5)CC3)c2)s1 ZINC000015070074 556494921 /nfs/dbraw/zinc/49/49/21/556494921.db2.gz UQKWOSWZAGJPSV-UHFFFAOYSA-N 0 3 434.565 4.299 50 0 IIAAHN Cc1n[nH]c(C)c1CNC(=O)c1ccc(OC2CCN(CCc3ccccc3)CC2)cc1 ZINC000015072040 556496711 /nfs/dbraw/zinc/49/67/11/556496711.db2.gz XTMQGTBWRVLRTH-UHFFFAOYSA-N 0 3 432.568 4.042 50 0 IIAAHN Cc1ccc2c(c1)[C@@]1(N[C@@H](Cc3ccccc3)C[C@@H]1C(=O)Nc1ccc(F)cc1)C(=O)N2 ZINC000013577013 556526309 /nfs/dbraw/zinc/52/63/09/556526309.db2.gz JLEHAUHECXAYRY-HXAGEGRHSA-N 0 3 429.495 4.141 50 0 IIAAHN COc1ccc(NC(=O)[C@@H]2C[C@@H](CC(C)C)N[C@]23C(=O)Nc2c3cc(C)cc2Cl)cc1 ZINC000248340974 556681403 /nfs/dbraw/zinc/68/14/03/556681403.db2.gz VRKKVUUNLQWSCP-MTJJIEKYSA-N 0 3 441.959 4.467 50 0 IIAAHN CN(C)Cc1cccc(NC(=C2c3ccc(C(=O)N(C)C)cc3NC2=O)c2ccccc2)c1 ZINC000052509453 556718038 /nfs/dbraw/zinc/71/80/38/556718038.db2.gz HOMJAAIVTDVQJA-IZHYLOQSSA-N 0 3 440.547 4.383 50 0 in-vitro IIAAHN Cc1ccc([C@@H](CNC(=O)[C@H]2CCCN2C(=O)c2cc(Cl)ccc2Cl)N(C)C)cc1 ZINC000062580308 556835873 /nfs/dbraw/zinc/83/58/73/556835873.db2.gz HDAKQDGLQOSIOB-NHCUHLMSSA-N 0 3 448.394 4.326 50 0 IIAAHN COc1cccc(OC)c1C(=O)C1CC(=O)Nc2c1c(C)nn2-c1cccc(Cl)c1 ZINC000046057860 557029207 /nfs/dbraw/zinc/02/92/07/557029207.db2.gz LPEJLPTUCZIDNU-HNNXBMFYSA-N 0 3 425.872 4.160 50 0 IIAAHN COc1ccc(CN2CCN(CCCCOc3ccc(C)cc3C)CC2)c(OC)c1OC ZINC000022942776 557054355 /nfs/dbraw/zinc/05/43/55/557054355.db2.gz JKZFGXQQWQRICK-UHFFFAOYSA-N 0 3 442.600 4.306 50 0 IIAAHN CCN1CCN(Cc2cc3ccc(F)cc3n(CCSc3ccccc3)c2=O)CC1 ZINC000023360796 557087963 /nfs/dbraw/zinc/08/79/63/557087963.db2.gz ISVHMNLIEXHZFW-UHFFFAOYSA-N 0 3 425.573 4.070 50 0 IIAAHN CC[C@H](C)[C@H](NC(=O)C1CCC(C)CC1)C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000004778583 557112736 /nfs/dbraw/zinc/11/27/36/557112736.db2.gz SNJNEGRMALSFKO-QORXRJKTSA-N 0 3 427.633 4.124 50 0 IIAAHN COc1ccc([C@H](CNC(=O)CCc2c(C)c3ccc(C)cc3oc2=O)N2CCCC2)cc1 ZINC000017911943 557128251 /nfs/dbraw/zinc/12/82/51/557128251.db2.gz AKQBKBCKJUDZAY-DEOSSOPVSA-N 0 3 448.563 4.304 50 0 IIAAHN CC[NH+](CC)[C@@H](CN1CCN(C[C@H](C)C(=O)c2ccc([O-])cc2)CC1)c1ccc(F)cc1 ZINC000096316553 557198545 /nfs/dbraw/zinc/19/85/45/557198545.db2.gz OLQANDAZOREQMH-CPJSRVTESA-N 0 3 441.591 4.051 50 0 IIAAHN CCc1ccc([C@H](CNC(=O)c2ccc(=O)n(Cc3ccccc3Cl)c2)N(C)C)cc1 ZINC000027597696 557267170 /nfs/dbraw/zinc/26/71/70/557267170.db2.gz GWSKEDKUHIGFMR-QHCPKHFHSA-N 0 3 437.971 4.145 50 0 IIAAHN COc1ccc([C@H](CNC(=O)c2cc(OC)c(OC)c(OC)c2)N2CCCCCC2)cc1 ZINC000027793761 557274433 /nfs/dbraw/zinc/27/44/33/557274433.db2.gz SQRUOTULCLASPN-NRFANRHFSA-N 0 3 442.556 4.068 50 0 biogenic IIAAHN Cc1nn(-c2ccc(C)cc2)c(C)c1NC(=O)CN1CCCN(Cc2ccc(C)cc2)CC1 ZINC000022995677 557275758 /nfs/dbraw/zinc/27/57/58/557275758.db2.gz OFTNGSMNVGKTJU-UHFFFAOYSA-N 0 3 445.611 4.252 50 0 IIAAHN Cc1sc(Br)c(C(=O)N2CCC(CN3C[C@@H](C)O[C@H](C)C3)CC2)c1C ZINC000241784824 557847024 /nfs/dbraw/zinc/84/70/24/557847024.db2.gz RXAYQWSDHYABQT-CHWSQXEVSA-N 0 3 429.424 4.089 50 0 IIAAHN CCCCOc1cc(OCCC)ccc1C(=O)NC1CCN(CCc2ccncc2)CC1 ZINC000241815943 557847083 /nfs/dbraw/zinc/84/70/83/557847083.db2.gz SEHYJRFELADGBD-UHFFFAOYSA-N 0 3 439.600 4.486 50 0 IIAAHN COCCCNC(=O)N[C@H](CCC(C)C)c1c2c(sc1-n1cccc1)CN(C)CC2 ZINC000008590218 562951527 /nfs/dbraw/zinc/95/15/27/562951527.db2.gz KBUJTBDLHAWKDI-LJQANCHMSA-N 0 3 432.634 4.340 50 0 IIAAHN COc1ccc([C@H]2C3=C(NCCN=C3c3ccccc3)C(=O)N2c2ccccc2)c(OC)c1 ZINC000019848005 563023100 /nfs/dbraw/zinc/02/31/00/563023100.db2.gz IEMCITZJDACQAB-SANMLTNESA-N 0 3 439.515 4.138 50 0 IIAAHN Cc1nc2ccc(NC3=C(C(=O)Nc4ccc(F)cc4)S(=O)(=O)c4ccccc43)cc2[nH]1 ZINC000015868063 568851136 /nfs/dbraw/zinc/85/11/36/568851136.db2.gz SQOKKZYOBIAUJW-UHFFFAOYSA-N 0 3 448.479 4.217 50 0 IIAAHN O=C(NC[C@@H](c1ccccc1)N1CCCC1)c1ccc(=O)n(Cc2ccccc2Cl)c1 ZINC000013009837 568899917 /nfs/dbraw/zinc/89/99/17/568899917.db2.gz RUBGGYQCPATCCU-QHCPKHFHSA-N 0 3 435.955 4.117 50 0 IIAAHN COc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccc(Cl)cc2)[C@@H]3c2ccccc2)cc1 ZINC000245238617 568913261 /nfs/dbraw/zinc/91/32/61/568913261.db2.gz WMUKCJWSARQGPN-YPAWHYETSA-N 0 3 434.879 4.400 50 0 IIAAHN COc1ccc(N2C(=O)C3ON(c4ccc(Cl)cc4)[C@H](c4ccccc4)[C@H]3C2=O)cc1 ZINC000245238617 568913262 /nfs/dbraw/zinc/91/32/62/568913262.db2.gz WMUKCJWSARQGPN-YPAWHYETSA-N 0 3 434.879 4.400 50 0 IIAAHN O=C(NC[C@H]1CCCO1)C1CCN(Cc2cc3ccccc3n2Cc2ccc(F)cc2)CC1 ZINC000064666622 568942835 /nfs/dbraw/zinc/94/28/35/568942835.db2.gz SRKQWHHXEQFHCC-RUZDIDTESA-N 0 3 449.570 4.336 50 0 IIAAHN CCCN(CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(C)cc1C)C[C@@H](O)CC ZINC000036309406 568995782 /nfs/dbraw/zinc/99/57/82/568995782.db2.gz NUBJGLANUMUIIK-UNMCSNQZSA-N 0 3 444.641 4.353 50 0 IIAAHN Cc1ccc(C(=O)N(CCN(C)C)Cc2c(-c3ccccc3)noc2N2CCCC2)cc1 ZINC000036312430 568997662 /nfs/dbraw/zinc/99/76/62/568997662.db2.gz FIDMIHDGYAFWFK-UHFFFAOYSA-N 0 3 432.568 4.454 50 0 IIAAHN O=C(c1cccnc1N1CCN[C@@H](c2ccccc2)C1)N1CCC(Cc2ccccc2)CC1 ZINC000065255753 569123072 /nfs/dbraw/zinc/12/30/72/569123072.db2.gz DCHVPQWDDQIQDU-AREMUKBSSA-N 0 3 440.591 4.327 50 0 IIAAHN O=C(CCc1ncc(-c2c(F)cccc2F)o1)N1CCCN(Cc2ccccc2)CC1 ZINC000037136362 569140296 /nfs/dbraw/zinc/14/02/96/569140296.db2.gz GWLBTCSYFXHNMO-UHFFFAOYSA-N 0 3 425.479 4.287 50 0 IIAAHN CN(C(=O)[C@@H]1CN(Cc2ccccc2)C[C@@H]1C(F)(F)F)c1ccc(-c2ccccc2)nn1 ZINC000170617685 569146849 /nfs/dbraw/zinc/14/68/49/569146849.db2.gz HTXWGUPEFBIFNJ-UXHICEINSA-N 0 3 440.469 4.417 50 0 IIAAHN Nc1c2c(nn1-c1ccc(F)cc1)nc(NCCN1CCCCC1)nc2-c1cccc(F)c1 ZINC000037375801 569185479 /nfs/dbraw/zinc/18/54/79/569185479.db2.gz PQZGNJFFUJMJEH-UHFFFAOYSA-N 0 3 449.509 4.241 50 0 IIAAHN FC(F)(F)c1ccc(N2CCN(C3CCN(Cc4nc5ccccc5o4)CC3)CC2)nc1 ZINC000252484210 569186475 /nfs/dbraw/zinc/18/64/75/569186475.db2.gz FRQWZELLNLOFHF-UHFFFAOYSA-N 0 3 445.489 4.028 50 0 IIAAHN CCCOc1cccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCN(CC)CC)c1 ZINC000002433909 569303357 /nfs/dbraw/zinc/30/33/57/569303357.db2.gz KUCKLKYNTWQNCA-HSZRJFAPSA-N 0 3 434.536 4.469 50 0 IIAAHN CCN(CC)CCn1c2sc3c(c2c(=O)n(CCc2ccccc2)c1=O)CCCCC3 ZINC000002438815 569303945 /nfs/dbraw/zinc/30/39/45/569303945.db2.gz YGSKPHLLEOVZKM-UHFFFAOYSA-N 0 3 439.625 4.078 50 0 IIAAHN O=C(CNC(=O)c1sc2ccccc2c1Cl)NC1CCN(Cc2ccccc2)CC1 ZINC000013109445 569310237 /nfs/dbraw/zinc/31/02/37/569310237.db2.gz QCIIRXXHVZDUNV-UHFFFAOYSA-N 0 3 441.984 4.065 50 0 IIAAHN CCN(CC)CCN(C(=O)C[C@H]1OCCc2ccccc21)c1ccc(Br)cn1 ZINC000328600153 569318091 /nfs/dbraw/zinc/31/80/91/569318091.db2.gz WCBRJMAQKMMJRJ-HXUWFJFHSA-N 0 3 446.389 4.223 50 0 IIAAHN CCCC1=Nc2cc(C(=O)NCCN3CCN(CC)CC3)ccc2Sc2ccccc21 ZINC000020178860 569354681 /nfs/dbraw/zinc/35/46/81/569354681.db2.gz LEHBGPLCLFIUTK-UHFFFAOYSA-N 0 3 436.625 4.439 50 0 IIAAHN CC(C)N(Cc1ccc(NC(=O)NC[C@](C)(O)c2ccco2)cc1)C[C@@H]1CCCCO1 ZINC000095460786 569369795 /nfs/dbraw/zinc/36/97/95/569369795.db2.gz FLAHRBOCEODRJK-URXFXBBRSA-N 0 3 429.561 4.088 50 0 IIAAHN COC(=O)c1cccc(CC(=O)N[C@@H](c2ccc(F)c(F)c2)C(C)(C)N2CCCC2)c1 ZINC000096011124 569379794 /nfs/dbraw/zinc/37/97/94/569379794.db2.gz QQJHAZOPBMCXPY-QFIPXVFZSA-N 0 3 430.495 4.026 50 0 IIAAHN CN(CC(=O)Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1)Cc1cccc(F)c1 ZINC000057315372 569430992 /nfs/dbraw/zinc/43/09/92/569430992.db2.gz LQALZHDVISHOAA-UHFFFAOYSA-N 0 3 446.570 4.218 50 0 IIAAHN COc1cccc(C2=NN3[C@@H](C2)c2cc(Br)ccc2OC32CCN(C)CC2)c1 ZINC000008717686 569471146 /nfs/dbraw/zinc/47/11/46/569471146.db2.gz LLPQMWAWLLWZCX-FQEVSTJZSA-N 0 3 442.357 4.423 50 0 IIAAHN COc1cccc([C@@H]2CN(Cc3cccn3C)C[C@H]2CN(CC(C)C)C(=O)C(C)C)c1 ZINC000245278997 569502095 /nfs/dbraw/zinc/50/20/95/569502095.db2.gz AATAXLOUXXIGDO-DHLKQENFSA-N 0 3 425.617 4.390 50 0 IIAAHN CN(CCCNC(=O)c1ccc(C[S@@](=O)c2ccc(Cl)cc2)o1)Cc1ccccc1 ZINC000009115660 569502838 /nfs/dbraw/zinc/50/28/38/569502838.db2.gz KDHGRIXIIUIFLD-PMERELPUSA-N 0 3 444.984 4.493 50 0 IIAAHN CCC[C@@H](O)CN(CC(=O)N1CCc2sccc2[C@H]1COc1ccccc1)CC1CC1 ZINC000245327418 569503684 /nfs/dbraw/zinc/50/36/84/569503684.db2.gz JDZXGQRHJNQYGL-NFBKMPQASA-N 0 3 442.625 4.126 50 0 IIAAHN COc1cccc2c1OC1(CCN(C(C)C)CC1)N1N=C(c3ccc4c(c3)OCO4)C[C@@H]21 ZINC000009122174 569504160 /nfs/dbraw/zinc/50/41/60/569504160.db2.gz CGXAHJCTSKQBPT-FQEVSTJZSA-N 0 3 435.524 4.168 50 0 IIAAHN CN(C)CCNC(=O)c1ccc(Cn2c(SCc3ccccc3)nc3cccnc32)cc1 ZINC000009151260 569507473 /nfs/dbraw/zinc/50/74/73/569507473.db2.gz FVCOGANZYXCXMK-UHFFFAOYSA-N 0 3 445.592 4.063 50 0 IIAAHN CC1CCN(CCCn2c(=O)c3ccccc3nc2SCC(=O)c2ccccc2)CC1 ZINC000009472776 569539034 /nfs/dbraw/zinc/53/90/34/569539034.db2.gz JUDBKDMJOOLCQU-UHFFFAOYSA-N 0 3 435.593 4.494 50 0 IIAAHN CCc1ccc([C@H](CNc2cnn(-c3nc4ccccc4[nH]3)c(=O)c2Cl)N(C)C)cc1 ZINC000009586550 569549689 /nfs/dbraw/zinc/54/96/89/569549689.db2.gz QXVWGLRVLKAJNC-FQEVSTJZSA-N 0 3 436.947 4.039 50 0 IIAAHN O=C(C1CCN(Cc2ccc(C(F)(F)F)cc2)CC1)N1CCN(Cc2ccccc2)CC1 ZINC000009849756 569571409 /nfs/dbraw/zinc/57/14/09/569571409.db2.gz HJOITYMAARDZDH-UHFFFAOYSA-N 0 3 445.529 4.262 50 0 IIAAHN Cc1cc2oc3c(c(=O)c2cc1Cl)[C@@H](c1cccc(F)c1)N(CCCN(C)C)C3=O ZINC000010233079 569579383 /nfs/dbraw/zinc/57/93/83/569579383.db2.gz JNXYGZYOXBQTPE-HXUWFJFHSA-N 0 3 428.891 4.391 50 0 IIAAHN COc1cc(C(=O)NC[C@H](c2cccc3ccccc32)N2CCCC2)cc(OC)c1OC ZINC000010330541 569581031 /nfs/dbraw/zinc/58/10/31/569581031.db2.gz LMIHTFDGDVSHSW-JOCHJYFZSA-N 0 3 434.536 4.433 50 0 IIAAHN O=C(/C=C/c1cn(-c2ccccc2)nc1-c1cccs1)N1CCN(c2ccncc2)CC1 ZINC000009377091 132233852 /nfs/dbraw/zinc/23/38/52/132233852.db2.gz KXGNETQDDYBLBM-CMDGGOBGSA-N 0 3 441.560 4.358 50 0 IIAAHN COc1ccc(Br)cc1CN1CCC(N2CCN(c3ccccc3)CC2)CC1 ZINC000008984041 132299455 /nfs/dbraw/zinc/29/94/55/132299455.db2.gz WQHBSEMUXWDFCB-UHFFFAOYSA-N 0 3 444.417 4.244 50 0 IIAAHN C[C@@H](NC[C@@H](c1cccs1)c1c[nH]c2ccccc21)C(=O)N1CC(=O)Nc2ccccc21 ZINC000009579413 132322149 /nfs/dbraw/zinc/32/21/49/132322149.db2.gz HVPMQMJDUJEFQU-VQIMIIECSA-N 0 3 444.560 4.325 50 0 IIAAHN C/C=C(\C)C(=O)N1CCC([C@H](Cc2ccccc2F)N(C)Cc2cn(C)nc2C)CC1 ZINC000020783301 518480765 /nfs/dbraw/zinc/48/07/65/518480765.db2.gz OSFUDNORONTISZ-FRJMIPQNSA-N 0 3 426.580 4.116 50 0 IIAAHN CC(C)Cc1cc(CN2CCC[C@@H](N3CCN(c4cccc(C(F)(F)F)c4)CC3)C2)[nH]n1 ZINC000020783431 519432713 /nfs/dbraw/zinc/43/27/13/519432713.db2.gz CEEOKCFMFMFOFF-HSZRJFAPSA-N 0 3 449.565 4.414 50 0 IIAAHN CC(C)Cc1cc(CN2CCC[C@@H](N3CCN(c4cccc(C(F)(F)F)c4)CC3)C2)n[nH]1 ZINC000020783431 519432722 /nfs/dbraw/zinc/43/27/22/519432722.db2.gz CEEOKCFMFMFOFF-HSZRJFAPSA-N 0 3 449.565 4.414 50 0 IIAAHN CC(C)[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000013048995 519820039 /nfs/dbraw/zinc/82/00/39/519820039.db2.gz UNNCITIJUFOXEZ-RXVVDRJESA-N 0 3 448.394 4.139 50 0 IIAAHN CCCN1CCN(c2ncnc3sc(C(=O)Nc4cc(C)ccc4OC)c(C)c32)CC1 ZINC000020762712 519861249 /nfs/dbraw/zinc/86/12/49/519861249.db2.gz LTSWXOPICVKULK-UHFFFAOYSA-N 0 3 439.585 4.101 50 0 IIAAHN CCN(CC)CCN(C(=O)c1ccc(C(=O)OC)cc1)c1nc2ccc(F)cc2s1 ZINC000012140839 520640035 /nfs/dbraw/zinc/64/00/35/520640035.db2.gz XVZQMURANUOGAP-UHFFFAOYSA-N 0 3 429.517 4.211 50 0 IIAAHN CC1CCN([C@H](CNC(=O)COCc2nc3ccccc3s2)c2cccs2)CC1 ZINC000022680923 521034689 /nfs/dbraw/zinc/03/46/89/521034689.db2.gz IIHPQICTAQPYCA-GOSISDBHSA-N 0 3 429.611 4.464 50 0 IIAAHN CCOC(=O)[C@@]1(Cc2cccc(OC)c2)CCCN(Cc2cccn2-c2nccs2)C1 ZINC000012579580 521180117 /nfs/dbraw/zinc/18/01/17/521180117.db2.gz MAZPNMZUYFHQQM-XMMPIXPASA-N 0 3 439.581 4.330 50 0 IIAAHN CCN1CCC[C@@H]1CNC(=O)Cc1ccc(NC(=O)N2CCCCc3ccccc32)cc1 ZINC000020988234 521635968 /nfs/dbraw/zinc/63/59/68/521635968.db2.gz WFWLKRLQRPCPBC-HSZRJFAPSA-N 0 3 434.584 4.204 50 0 IIAAHN COc1ccc(CCN(C)[C@@H]2CCCN(C(=O)Nc3ccc(F)cc3F)C2)cc1OC ZINC000012592736 523941102 /nfs/dbraw/zinc/94/11/02/523941102.db2.gz ZVRRYRZOZQDHDJ-GOSISDBHSA-N 0 3 433.499 4.153 50 0 IIAAHN CCc1ccc([C@H](CNC(=O)[C@H](Cc2ccccc2)NC(=O)c2cccs2)N(C)C)cc1 ZINC000012794422 524048821 /nfs/dbraw/zinc/04/88/21/524048821.db2.gz KWGSVYADIKJCAY-GOTSBHOMSA-N 0 3 449.620 4.071 50 0 IIAAHN C[C@H](NCC(=O)Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1)c1cccs1 ZINC000012533928 525308739 /nfs/dbraw/zinc/30/87/39/525308739.db2.gz UXSVFQVYIFBDJO-FQEVSTJZSA-N 0 3 434.609 4.360 50 0 IIAAHN COc1ccc([C@H](CNC(=O)Cc2csc(-c3ccc(F)cc3)n2)N2CCCC2)cc1 ZINC000012687885 525356623 /nfs/dbraw/zinc/35/66/23/525356623.db2.gz HXPJBNNZOGZNFL-QFIPXVFZSA-N 0 3 439.556 4.454 50 0 IIAAHN O=C(NCCN1CCCC1)c1ccc2c(c1)NC(=O)/C(=C\c1ccccc1Cl)S2 ZINC000020735152 526305781 /nfs/dbraw/zinc/30/57/81/526305781.db2.gz OEQUVNOKRBDVHU-XSFVSMFZSA-N 0 3 427.957 4.251 50 0 IIAAHN O=C(CCN1Cc2ccccc2O[C@@H](c2ccccc2)C1)NCc1ccc2nsnc2c1 ZINC000020601065 526496331 /nfs/dbraw/zinc/49/63/31/526496331.db2.gz KIGKFIBOKCBLJG-XMMPIXPASA-N 0 3 444.560 4.334 50 0 IIAAHN Cc1ccc(S(=O)(=O)N(c2ccc3c(c2)OCO3)C2CCN(CC(C)C)CC2)cc1 ZINC000034683837 555819511 /nfs/dbraw/zinc/81/95/11/555819511.db2.gz PNVRYBOJHZGUGO-UHFFFAOYSA-N 0 3 430.570 4.039 50 0 IIAAHN O=C(Nc1ccccc1C(=O)NCc1cccnc1)c1ccc(CN2CCCCC2)cc1 ZINC000010113918 556326648 /nfs/dbraw/zinc/32/66/48/556326648.db2.gz FDCFWUFRCKPAIN-UHFFFAOYSA-N 0 3 428.536 4.250 50 0 IIAAHN Cn1nnnc1SCCNCc1c(OCc2ccccc2Cl)ccc2ccccc21 ZINC000013942033 556338917 /nfs/dbraw/zinc/33/89/17/556338917.db2.gz PIORPCARZZMCQI-UHFFFAOYSA-N 0 3 439.972 4.478 50 0 IIAAHN CCOc1ccc(CN2CCC(n3nccc3NC(=O)[C@H](OC)c3ccccc3)CC2)cc1 ZINC000011816563 556359178 /nfs/dbraw/zinc/35/91/78/556359178.db2.gz FZHOTNKZLXDMNJ-RUZDIDTESA-N 0 3 448.567 4.445 50 0 IIAAHN C[C@H]1CN(CCC(=O)N2CCC(Oc3ccc(Cl)cc3)CC2)Cc2ccccc2O1 ZINC000011880540 556372478 /nfs/dbraw/zinc/37/24/78/556372478.db2.gz GGZLIRQXXJGBPR-SFHVURJKSA-N 0 3 428.960 4.383 50 0 IIAAHN COc1ccc([C@H](CNC(=O)CSc2ccc(Br)cc2C)N(C)C)cc1 ZINC000014125108 556373126 /nfs/dbraw/zinc/37/31/26/556373126.db2.gz VNYBYTRPMFJPNX-SFHVURJKSA-N 0 3 437.403 4.277 50 0 IIAAHN O=C1CCN(Cc2cn(-c3ccccc3)nc2-c2ccccc2)CCN1Cc1ccncc1 ZINC000012079774 556398678 /nfs/dbraw/zinc/39/86/78/556398678.db2.gz XHUUEEKXSOZTRH-UHFFFAOYSA-N 0 3 437.547 4.169 50 0 IIAAHN COc1cccc(NC(=O)CC2C(=O)N(CCc3ccccc3)c3nc4ccccc4n32)c1 ZINC000032581143 556404836 /nfs/dbraw/zinc/40/48/36/556404836.db2.gz RFBWZLXOMQEJLZ-HSZRJFAPSA-N 0 3 440.503 4.204 50 0 IIAAHN Cc1ccc(-c2noc(-c3ccc(OCC(=O)NCCN4CCCC[C@H]4C)cc3)n2)cc1 ZINC000032579067 556406069 /nfs/dbraw/zinc/40/60/69/556406069.db2.gz BQBQBQKODWWKSS-LJQANCHMSA-N 0 3 434.540 4.081 50 0 IIAAHN COc1ccc([C@H](CNC(=O)c2cc(-c3ccc(Br)cc3)on2)N(C)C)cc1 ZINC000032622351 556409642 /nfs/dbraw/zinc/40/96/42/556409642.db2.gz KWPYQJURNMSSHV-IBGZPJMESA-N 0 3 444.329 4.145 50 0 IIAAHN Cc1cc(C)c(CN2CCc3nnc([C@H](C)NC(=O)CCc4ccccc4)n3CC2)cc1C ZINC000014878634 556452399 /nfs/dbraw/zinc/45/23/99/556452399.db2.gz BAGKDXNTTQDNSI-QFIPXVFZSA-N 0 3 445.611 4.072 50 0 IIAAHN COc1cccc(-n2cc(CN(C)[C@@H]3CCC(=O)N(Cc4ccccc4F)CC3)cn2)c1 ZINC000014984174 556472014 /nfs/dbraw/zinc/47/20/14/556472014.db2.gz RYKSTHSMGNFSGS-OAQYLSRUSA-N 0 3 436.531 4.033 50 0 IIAAHN COc1ccc(CCN(C)[C@H]2CCCN(C(=O)CCCc3cccs3)C2)cc1OC ZINC000015066091 556492715 /nfs/dbraw/zinc/49/27/15/556492715.db2.gz PQFMTKQMIXDXBO-FQEVSTJZSA-N 0 3 430.614 4.254 50 0 IIAAHN Cc1ccc(NC(=O)CC2C(=O)N(Cc3cccnc3)c3nc4ccccc4n32)cc1C ZINC000030937587 556515283 /nfs/dbraw/zinc/51/52/83/556515283.db2.gz MNEKLIGYKNXTPV-QFIPXVFZSA-N 0 3 425.492 4.165 50 0 IIAAHN c1ccc(N2CCN(Cc3ccc(CN4CCN(c5ccccc5)CC4)cc3)CC2)cc1 ZINC000015376165 556523567 /nfs/dbraw/zinc/52/35/67/556523567.db2.gz LBRIUKWZTAEXST-UHFFFAOYSA-N 0 3 426.608 4.331 50 0 IIAAHN O=C(NC[C@H](c1ccccc1)N1CCCC1)c1cccc(OCc2cn3ccccc3n2)c1 ZINC000032899701 556531040 /nfs/dbraw/zinc/53/10/40/556531040.db2.gz KOROEOKTXCTVOL-RUZDIDTESA-N 0 3 440.547 4.480 50 0 IIAAHN CN(CC(=O)N[C@@H](c1nccs1)c1ccccc1)C1CCN(c2ccc(F)cc2)CC1 ZINC000072305179 556550248 /nfs/dbraw/zinc/55/02/48/556550248.db2.gz YDMYYTCXQLLBAC-HSZRJFAPSA-N 0 3 438.572 4.089 50 0 IIAAHN COc1ccc(CN2CCC[C@H](C(=O)N3CCC(Cc4ccccc4)CC3)C2)cc1OC ZINC000015890206 556561657 /nfs/dbraw/zinc/56/16/57/556561657.db2.gz UEYITJHDTAPIIQ-DEOSSOPVSA-N 0 3 436.596 4.397 50 0 IIAAHN C[C@@H]1CN(C2CCN(Cc3nc(C(c4ccccc4)c4ccccc4)no3)CC2)C[C@H](C)O1 ZINC000015962416 556569753 /nfs/dbraw/zinc/56/97/53/556569753.db2.gz TVKCFCZANTZCSU-OYRHEFFESA-N 0 3 446.595 4.323 50 0 IIAAHN CCN(Cc1c(C)nn(-c2cccc(F)c2)c1N1CCN(CC)CC1)Cc1ccccc1 ZINC000034836522 556583174 /nfs/dbraw/zinc/58/31/74/556583174.db2.gz RNTCFIAPZJQCDD-UHFFFAOYSA-N 0 3 435.591 4.484 50 0 IIAAHN CCN(CC)c1onc(-c2ccccc2)c1CN(CCN(C)C)C(=O)Cc1ccccc1 ZINC000036249518 556595586 /nfs/dbraw/zinc/59/55/86/556595586.db2.gz QIDKXGZSAGURCK-UHFFFAOYSA-N 0 3 434.584 4.321 50 0 IIAAHN CN(C)CCNC(=O)Cc1ccc(N(Cc2ccccc2)C(=O)c2ccc(Cl)cc2)cc1 ZINC000037555863 556644699 /nfs/dbraw/zinc/64/46/99/556644699.db2.gz TWFCJKNGHPJUGR-UHFFFAOYSA-N 0 3 449.982 4.407 50 0 IIAAHN O=C1C[C@H](NCCc2c[nH]c3ccccc23)C(=O)N1c1ccc(Oc2ccccc2)cc1 ZINC000018223081 556687617 /nfs/dbraw/zinc/68/76/17/556687617.db2.gz PHXANQWWTGSHOR-DEOSSOPVSA-N 0 3 425.488 4.424 50 0 IIAAHN COc1ccc(-c2nn(-c3ccccc3F)cc2CN2CCC[C@@H](c3nncn3C)C2)cc1 ZINC000019227014 556716923 /nfs/dbraw/zinc/71/69/23/556716923.db2.gz MXNKUQZYWCAANX-LJQANCHMSA-N 0 3 446.530 4.195 50 0 IIAAHN O=C(Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1)c1ccc2c(c1)OCCO2 ZINC000055556849 556742219 /nfs/dbraw/zinc/74/22/19/556742219.db2.gz MGTUPTFLGWXGPD-UHFFFAOYSA-N 0 3 429.520 4.032 50 0 IIAAHN CCOC(=O)Nc1ccc2c(c1)N(C(=O)CCN1CCN(C)CC1)c1ccccc1S2 ZINC000019363126 556745736 /nfs/dbraw/zinc/74/57/36/556745736.db2.gz ONORYECFZPCHNK-UHFFFAOYSA-N 0 3 440.569 4.022 50 0 IIAAHN Cc1nn(Cc2ccccc2)c(Cl)c1CN1CCC(CN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000060368402 556748825 /nfs/dbraw/zinc/74/88/25/556748825.db2.gz UBEBWXBGIMCBDR-KDURUIRLSA-N 0 3 431.024 4.214 50 0 IIAAHN C[C@H](CNC(=O)C[C@@H](NC(=O)c1ccccc1Cl)c1ccccc1)N1CCC(C)CC1 ZINC000058024034 556754810 /nfs/dbraw/zinc/75/48/10/556754810.db2.gz HVOUTZYDDZITHV-AUSIDOKSSA-N 0 3 442.003 4.438 50 0 IIAAHN Cc1ccc([C@H](CNC(=O)C[C@H](NC(=O)c2ccccc2)c2ccccc2)N(C)C)cc1 ZINC000060156001 556806895 /nfs/dbraw/zinc/80/68/95/556806895.db2.gz JLUVLYPUSBXQCS-DQEYMECFSA-N 0 3 429.564 4.275 50 0 IIAAHN CC[C@@H](C)N(CCNC(=O)C1CCN(c2nc3ccccc3[nH]2)CC1)Cc1cccs1 ZINC000033071075 556851481 /nfs/dbraw/zinc/85/14/81/556851481.db2.gz HUMQFLCFRVQWKL-GOSISDBHSA-N 0 3 439.629 4.258 50 0 IIAAHN CC(C)(C)c1cc(CN2CCC(C(=O)NC[C@H]3CCCO3)CC2)cc(C(C)(C)C)c1O ZINC000004681959 556878846 /nfs/dbraw/zinc/87/88/46/556878846.db2.gz TYAPLKVGASADIS-HXUWFJFHSA-N 0 3 430.633 4.494 50 0 IIAAHN Cc1nc(-c2cc(S(=O)(=O)NCCCN3CCCCCC3)c(C)s2)sc1C ZINC000033169499 556884725 /nfs/dbraw/zinc/88/47/25/556884725.db2.gz JYJOROZDBBGJBX-UHFFFAOYSA-N 0 3 427.661 4.341 50 0 IIAAHN CC(C)OCCCn1cnc2sc3c(c2c1=O)CC[C@H](NCc1ccccc1F)C3 ZINC000019800032 556917302 /nfs/dbraw/zinc/91/73/02/556917302.db2.gz MZKSIVSAMDNBMT-KRWDZBQOSA-N 0 3 429.561 4.059 50 0 IIAAHN CC(C)OCCCn1cnc2sc3c(c2c1=O)CC[C@@H](NCc1ccccc1F)C3 ZINC000019800033 556917313 /nfs/dbraw/zinc/91/73/13/556917313.db2.gz MZKSIVSAMDNBMT-QGZVFWFLSA-N 0 3 429.561 4.059 50 0 IIAAHN O=C(c1ccc(CN2CCc3ccccc3C2)cc1)N1CCN(Cc2ccccc2)CC1 ZINC000019811704 556919167 /nfs/dbraw/zinc/91/91/67/556919167.db2.gz OWOAYLYUJWRNBK-UHFFFAOYSA-N 0 3 425.576 4.203 50 0 IIAAHN COCCCN1C(=O)C(CC(=O)Nc2cc(Cl)cc(Cl)c2)n2c3ccccc3nc21 ZINC000020103455 556981072 /nfs/dbraw/zinc/98/10/72/556981072.db2.gz ZVLCWCQENRWTDD-GOSISDBHSA-N 0 3 447.322 4.296 50 0 IIAAHN COc1ccc(-c2nn3c(nc(C)cc3N3CCN(C4CCCCC4)CC3)c2C)cc1OC ZINC000023118838 557006701 /nfs/dbraw/zinc/00/67/01/557006701.db2.gz VEQWOYUJWDTDLD-UHFFFAOYSA-N 0 3 449.599 4.485 50 0 IIAAHN COc1ccc(CN2CCN(CCCCOc3ccc(Cl)cc3)CC2)c(OC)c1OC ZINC000022921267 557047298 /nfs/dbraw/zinc/04/72/98/557047298.db2.gz GRRZJWOHVXGXDO-UHFFFAOYSA-N 0 3 448.991 4.343 50 0 IIAAHN CCOC(=O)[C@H]1CCCN(C(=O)C2CCN(Cc3ccc(-c4ccccc4)cc3)CC2)C1 ZINC000023157261 557070237 /nfs/dbraw/zinc/07/02/37/557070237.db2.gz GSXINCIKIAVPPE-VWLOTQADSA-N 0 3 434.580 4.367 50 0 IIAAHN COCCCN1C(=O)C(CC(=O)Nc2cc(Cl)ccc2Cl)n2c3ccccc3nc21 ZINC000023411227 557091393 /nfs/dbraw/zinc/09/13/93/557091393.db2.gz YPWITLFWXZMBDH-GOSISDBHSA-N 0 3 447.322 4.296 50 0 IIAAHN CCN1CCc2ncnc(SCC(=O)Nc3ccc(Cl)cc3C(F)(F)F)c2C1 ZINC000049401003 557097070 /nfs/dbraw/zinc/09/70/70/557097070.db2.gz ZESFLGZZXUQMNZ-UHFFFAOYSA-N 0 3 430.883 4.258 50 0 IIAAHN CN(C)CCCN1C(=O)c2oc3ccccc3c(=O)c2[C@@H]1c1ccc(Br)cc1 ZINC000011614249 557210349 /nfs/dbraw/zinc/21/03/49/557210349.db2.gz KIGBPDKVCVZRSZ-IBGZPJMESA-N 0 3 441.325 4.052 50 0 IIAAHN CCN(CC)[C@H](CNC(=O)C1CCN(C(=O)c2ccc(Cl)cc2)CC1)c1ccsc1 ZINC000031988745 557299398 /nfs/dbraw/zinc/29/93/98/557299398.db2.gz SPWRVUNQAINIGG-OAQYLSRUSA-N 0 3 448.032 4.453 50 0 IIAAHN Cn1ccnc1[C@@H]1CCCCN1C(=O)CCN1Cc2ccccc2O[C@@H](c2ccccc2)C1 ZINC000104432678 557326806 /nfs/dbraw/zinc/32/68/06/557326806.db2.gz YODDBIWSIATSSP-UKILVPOCSA-N 0 3 444.579 4.500 50 0 IIAAHN CCCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(O)cc4)[C@H]3C2=O)cc1 ZINC000102710718 557364742 /nfs/dbraw/zinc/36/47/42/557364742.db2.gz OXYHMUFBTGERQS-TZRRMPRUSA-N 0 3 444.487 4.232 50 0 IIAAHN Cc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc(O)cc4)[C@H]3C2=O)cc1Cl ZINC000102707150 557367248 /nfs/dbraw/zinc/36/72/48/557367248.db2.gz KIOTYXJJIYNXKL-YPAWHYETSA-N 0 3 434.879 4.405 50 0 IIAAHN COc1ccc([C@@H]2[C@H]3C(=O)N(c4cccc(Cl)c4)C(=O)C3ON2c2ccccc2)cc1 ZINC000102861331 557402232 /nfs/dbraw/zinc/40/22/32/557402232.db2.gz IUBITZYLXRRGMJ-YPAWHYETSA-N 0 3 434.879 4.400 50 0 IIAAHN CC(=O)N1CC[C@@H](NCc2ccc(NC(=O)c3cccnc3)cc2)c2ccc(F)cc2C1 ZINC000225614975 557752421 /nfs/dbraw/zinc/75/24/21/557752421.db2.gz CXEYQOHESQQHAV-XMMPIXPASA-N 0 3 432.499 4.056 50 0 IIAAHN CC(C)C[C@@H]1[C@@H]2C(=O)N(c3ccc(Br)cc3)C(=O)C2ON1c1ccccc1 ZINC000226992510 557811584 /nfs/dbraw/zinc/81/15/84/557811584.db2.gz OJTVJQQTIRDHQH-CEXWTWQISA-N 0 3 429.314 4.174 50 0 IIAAHN CCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc(F)cc4)[C@H]3C2=O)cc1 ZINC000238882127 557841664 /nfs/dbraw/zinc/84/16/64/557841664.db2.gz CLDHLEJEAVKJKI-DNVJHFABSA-N 0 3 432.451 4.276 50 0 IIAAHN CCCCS[C@@H]1CCCC[C@@H]1OC(=O)CCN1C[C@H]2C[C@@H](C1)Cn1c(=O)cccc12 ZINC000263586685 568759507 /nfs/dbraw/zinc/75/95/07/568759507.db2.gz WXRHXRQJLTZHBC-YUVXSKOASA-N 0 3 432.630 4.045 50 0 biogenic IIAAHN O=C(NCC1CCN(Cc2ccc(F)cc2)CC1)c1noc2c1CCc1sccc1-2 ZINC000015733307 568815647 /nfs/dbraw/zinc/81/56/47/568815647.db2.gz BMLVDJSLHUDJCR-UHFFFAOYSA-N 0 3 425.529 4.283 50 0 IIAAHN COc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccccc4Cl)C(=O)C3ON2c2ccccc2)cc1 ZINC000138428973 568837380 /nfs/dbraw/zinc/83/73/80/568837380.db2.gz KHWAVBYANPTJJF-BHDDXSALSA-N 0 3 434.879 4.400 50 0 IIAAHN Cc1cc(C)c(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(O)cc4)[C@@H]3C2=O)c(C)c1 ZINC000135943963 568908916 /nfs/dbraw/zinc/90/89/16/568908916.db2.gz QDYNHOKMRBDKAV-OEMFJLHTSA-N 0 3 428.488 4.369 50 0 IIAAHN CN1CCC[C@H](COC(=O)c2ccc(CNC(N)=O)cc2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000240333494 568911920 /nfs/dbraw/zinc/91/19/20/568911920.db2.gz FDPGNVYSDLXEBN-UYAOXDASSA-N 0 3 449.473 4.114 50 0 IIAAHN CCCN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1OC)C[C@@H](O)COC ZINC000036305928 568995365 /nfs/dbraw/zinc/99/53/65/568995365.db2.gz CDZBERIAPSHAJH-HXUWFJFHSA-N 0 3 439.556 4.107 50 0 IIAAHN COC[C@@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(OC)cc1)C(C)C ZINC000036306137 568995424 /nfs/dbraw/zinc/99/54/24/568995424.db2.gz OUZHEOWKUNCFLL-FQEVSTJZSA-N 0 3 439.556 4.106 50 0 IIAAHN O=C(NC1CCN(Cc2ccccc2)CC1)c1ccn2c(c1)nnc2-c1ccccc1Cl ZINC000065296367 569131606 /nfs/dbraw/zinc/13/16/06/569131606.db2.gz SQTDGERBXAGUTN-UHFFFAOYSA-N 0 3 445.954 4.444 50 0 IIAAHN O=C(NC1CCN(Cc2ccccc2)CC1)c1ccn2c(c1)nnc2-c1cccc(Cl)c1 ZINC000065296753 569131630 /nfs/dbraw/zinc/13/16/30/569131630.db2.gz WXVMHWLWXIWWMS-UHFFFAOYSA-N 0 3 445.954 4.444 50 0 IIAAHN CCOc1cc(N2CCN(C(C)C)CC2)ccc1NC(=O)c1ccnc(OC2CCC2)c1 ZINC000170606068 569143924 /nfs/dbraw/zinc/14/39/24/569143924.db2.gz LOQDGXGMAMCZPS-UHFFFAOYSA-N 0 3 438.572 4.194 50 0 IIAAHN CC(C)N1CCN(c2nc3nn(-c4ccccc4)c(N)c3c(-c3cccc(Cl)c3)n2)CC1 ZINC000037359085 569176987 /nfs/dbraw/zinc/17/69/87/569176987.db2.gz MOZXJXXPTOFJDX-UHFFFAOYSA-N 0 3 447.974 4.249 50 0 IIAAHN CS[C@@H]1CN([C@@H](C)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)C[C@H]1N1CCCC1 ZINC000252512286 569188901 /nfs/dbraw/zinc/18/89/01/569188901.db2.gz OUWAVVYBOMYYLB-JCURWCKSSA-N 0 3 435.943 4.197 50 0 IIAAHN Cc1cc2nc(C)c(CCC(=O)NC[C@@H](c3cccs3)N3CCC(C)CC3)c(C)n2n1 ZINC000027574144 569273707 /nfs/dbraw/zinc/27/37/07/569273707.db2.gz OFRCHJHDPVVKBF-NRFANRHFSA-N 0 3 439.629 4.238 50 0 IIAAHN O=C([C@@H]1c2ccccc2C(=O)N2CCc3ccccc3[C@@H]12)N1CCN(C2CCCCC2)CC1 ZINC000020138953 569336105 /nfs/dbraw/zinc/33/61/05/569336105.db2.gz SLIZCCINQZPUTQ-FTJBHMTQSA-N 0 3 443.591 4.000 50 0 IIAAHN O=C(CN1C(=O)/C(=C\c2ccc(Cl)cc2)Sc2ccccc21)NCCN1CCCC1 ZINC000020181393 569355304 /nfs/dbraw/zinc/35/53/04/569355304.db2.gz ISISNWXZDZHVFC-RCCKNPSSSA-N 0 3 441.984 4.032 50 0 IIAAHN COc1ccc(Br)c(C(=O)N2CCC(N3CCc4sccc4C3)CC2)c1 ZINC000225688926 569407080 /nfs/dbraw/zinc/40/70/80/569407080.db2.gz HLSDDAPRPTWMQN-UHFFFAOYSA-N 0 3 435.387 4.182 50 0 IIAAHN CN(C)Cc1ccc(-c2ccccc2CNC(=O)[C@H]2CCCN(C(=O)c3ccco3)C2)cc1 ZINC000031079420 569453304 /nfs/dbraw/zinc/45/33/04/569453304.db2.gz CQQFJTFLFVWDLK-QHCPKHFHSA-N 0 3 445.563 4.177 50 0 IIAAHN O=C1C[C@@H](NCCc2c[nH]c3ccc(Cl)cc23)C(=O)N1c1ccccc1C(F)(F)F ZINC000008770404 569475112 /nfs/dbraw/zinc/47/51/12/569475112.db2.gz XOPAVEMOMZXYGP-QGZVFWFLSA-N 0 3 435.833 4.304 50 0 IIAAHN CN1CCN(CCc2ccc(NC(=O)COc3ccc(Oc4ccccc4)cc3)cc2)CC1 ZINC000040157065 569494261 /nfs/dbraw/zinc/49/42/61/569494261.db2.gz PNDJCMILYZMNGR-UHFFFAOYSA-N 0 3 445.563 4.286 50 0 IIAAHN CCc1cc(=O)oc2c(C)c(O[C@H](C)C(=O)NC3CCN(Cc4ccccc4)CC3)ccc12 ZINC000009044872 569498006 /nfs/dbraw/zinc/49/80/06/569498006.db2.gz SFQMIYIAVKOUOK-LJQANCHMSA-N 0 3 448.563 4.212 50 0 IIAAHN CCN1CCC[C@@H]1CNC(=O)c1cc(Br)c(OCc2ccccc2)c(OC)c1 ZINC000009256044 569516689 /nfs/dbraw/zinc/51/66/89/569516689.db2.gz BBOPKEPDFVNTBW-GOSISDBHSA-N 0 3 447.373 4.251 50 0 IIAAHN CCN1CCC[C@H]1CNC(=O)c1cc(Br)c(OCc2ccccc2)c(OC)c1 ZINC000009256045 569516705 /nfs/dbraw/zinc/51/67/05/569516705.db2.gz BBOPKEPDFVNTBW-SFHVURJKSA-N 0 3 447.373 4.251 50 0 IIAAHN Cc1cc(-c2ccc(C)c(S(=O)(=O)NC[C@H]3CCN(Cc4ccc(C)cc4)C3)c2)on1 ZINC000009268709 569517585 /nfs/dbraw/zinc/51/75/85/569517585.db2.gz JFLMKKDMTVUKML-OAQYLSRUSA-N 0 3 439.581 4.067 50 0 IIAAHN Cc1c2cc3c(cc2oc(=O)c1CCC(=O)NCCN(C)C)occ3-c1ccc(F)cc1 ZINC000009305320 569521229 /nfs/dbraw/zinc/52/12/29/569521229.db2.gz ZWFPOHRXLORHOB-UHFFFAOYSA-N 0 3 436.483 4.264 50 0 IIAAHN Cc1cc2oc3c(c(=O)c2cc1Cl)[C@H](c1ccc(F)cc1)N(CCCN(C)C)C3=O ZINC000009328243 569522787 /nfs/dbraw/zinc/52/27/87/569522787.db2.gz XEDHBZVMKHGHLL-FQEVSTJZSA-N 0 3 428.891 4.391 50 0 IIAAHN CN(CCCNC(=O)[C@@H]1c2ccccc2C(=O)N(C)[C@H]1c1cccs1)Cc1ccccc1 ZINC000009432376 569534369 /nfs/dbraw/zinc/53/43/69/569534369.db2.gz VRVVRZMLMVKKCY-RPWUZVMVSA-N 0 3 447.604 4.297 50 0 IIAAHN COc1cc(NC(=O)C2CN(C(c3ccccc3)c3ccccc3)C2)cc(OC)c1OC ZINC000071280168 569573605 /nfs/dbraw/zinc/57/36/05/569573605.db2.gz PZKRKKKVJPMTFB-UHFFFAOYSA-N 0 3 432.520 4.372 50 0 IIAAHN CCN(CC)CCN(C(=O)c1ccc(OC)c(OC)c1)c1nc2ccc(F)cc2s1 ZINC000010066507 569577614 /nfs/dbraw/zinc/57/76/14/569577614.db2.gz BDWNYKMOWNXHLZ-UHFFFAOYSA-N 0 3 431.533 4.441 50 0 IIAAHN CCN(CC)CCN1C(=O)c2oc3cc(C)c(C)cc3c(=O)c2[C@@H]1c1cccc(OC)c1 ZINC000010233114 569579465 /nfs/dbraw/zinc/57/94/65/569579465.db2.gz DCEUDXVNAYWKIF-QHCPKHFHSA-N 0 3 434.536 4.305 50 0 IIAAHN COc1cc(C(=O)NCc2ccccc2CN2CCCCC2)cc(OC)c1Br ZINC000010282863 569580442 /nfs/dbraw/zinc/58/04/42/569580442.db2.gz FXISZMXXHXEQFE-UHFFFAOYSA-N 0 3 447.373 4.382 50 0 IIAAHN O=C(NCc1ccccc1CN1CCCCC1)c1ccccc1I ZINC000010281549 569580464 /nfs/dbraw/zinc/58/04/64/569580464.db2.gz HETXZOVJNYESIU-UHFFFAOYSA-N 0 3 434.321 4.207 50 0 IIAAHN CC(C)[C@H](NCC(=O)NCCc1nc2ccccc2s1)c1ccc2c(c1)OCCCO2 ZINC000016695797 519820600 /nfs/dbraw/zinc/82/06/00/519820600.db2.gz ZDWGNGPMJNJDPL-DEOSSOPVSA-N 0 3 439.581 4.103 50 0 IIAAHN CC(C)[C@H]1CN(C)CCN1C(=O)c1ccc(OC2CCN(CCc3ccccc3)CC2)cc1 ZINC000012457868 519826533 /nfs/dbraw/zinc/82/65/33/519826533.db2.gz VZDAFRMMKGPBRO-HHHXNRCGSA-N 0 3 449.639 4.185 50 0 IIAAHN CCOC(=O)[C@@]1(Cc2cccc(OC)c2)CCCN(Cc2c(C)nn(C(C)C)c2C)C1 ZINC000012710423 521181077 /nfs/dbraw/zinc/18/10/77/521181077.db2.gz FVRFZYFTVPNYCY-RUZDIDTESA-N 0 3 427.589 4.477 50 0 IIAAHN CCOC(=O)c1nc2onc(C)c2c(NCC2CCN(Cc3ccc(Cl)cc3)CC2)n1 ZINC000021646287 521600661 /nfs/dbraw/zinc/60/06/61/521600661.db2.gz MWSZQTKNAVLMAR-UHFFFAOYSA-N 0 3 443.935 4.080 50 0 IIAAHN CCN1CCN(C(=O)[C@@H](C)NC[C@H](c2c[nH]c3ccccc32)c2ccccc2Cl)CC1 ZINC000012807916 521667053 /nfs/dbraw/zinc/66/70/53/521667053.db2.gz LUULFFFVYOIHIR-NQIIRXRSSA-N 0 3 439.003 4.095 50 0 IIAAHN CCN1CCN(Cc2ccc(NC(=O)c3nn(C)c4c3CSc3ccccc3-4)cc2)CC1 ZINC000020485277 521688902 /nfs/dbraw/zinc/68/89/02/521688902.db2.gz DTFMXHIEGWSETQ-UHFFFAOYSA-N 0 3 447.608 4.083 50 0 IIAAHN COc1cc2cc(C(=O)NC[C@H](c3cccs3)N3CCC(C)CC3)[nH]c2c(OC)c1 ZINC000012923110 523057241 /nfs/dbraw/zinc/05/72/41/523057241.db2.gz CXIIGKOJRQDJAP-LJQANCHMSA-N 0 3 427.570 4.450 50 0 IIAAHN COc1ccc(CN2CCC[C@H](N3CCN(c4cccc(C(F)(F)F)c4)CC3)C2)cc1O ZINC000020450260 524029260 /nfs/dbraw/zinc/02/92/60/524029260.db2.gz HPRRPGXHKUZGAD-NRFANRHFSA-N 0 3 449.517 4.206 50 0 IIAAHN COc1cccc2c1OCC(CN1CCC[C@H](C(=O)Nc3cccc(-n4cccn4)c3)C1)=C2 ZINC000012764395 524233624 /nfs/dbraw/zinc/23/36/24/524233624.db2.gz LMEIHWVCYYNHBX-NRFANRHFSA-N 0 3 444.535 4.007 50 0 IIAAHN COc1cccc2c1OCC(CN1CCC[C@H](N3CCN(c4ccccc4C)CC3)C1)=C2 ZINC000020472669 524234442 /nfs/dbraw/zinc/23/44/42/524234442.db2.gz HTDYHDOZAPDHPG-DEOSSOPVSA-N 0 3 433.596 4.066 50 0 IIAAHN COc1ccccc1-c1cc(C(F)(F)F)n2ncc(C(=O)OC[C@H]3CCCCN3C)c2n1 ZINC000021788924 524268554 /nfs/dbraw/zinc/26/85/54/524268554.db2.gz WRINCUGMWHQOFV-CQSZACIVSA-N 0 3 448.445 4.065 50 0 IIAAHN COc1ccccc1CN1CCC(n2nccc2NC(=O)CCOc2ccccc2)CC1 ZINC000012713293 524449931 /nfs/dbraw/zinc/44/99/31/524449931.db2.gz RUVOBXPXOVUKTB-UHFFFAOYSA-N 0 3 434.540 4.136 50 0 IIAAHN COc1ccc([C@@H]2N(c3ccccc3)OC3C(=O)N(c4ccc(F)cc4)C(=O)[C@@]32C)cc1 ZINC000012402531 525266665 /nfs/dbraw/zinc/26/66/65/525266665.db2.gz NMDGAVCPYORKSW-SGIRGMQISA-N 0 3 432.451 4.276 50 0 IIAAHN Cc1ccc(-c2cccc(C(=O)N3CCOc4ccc([C@](C)(O)CN(C)C)cc4C3)c2)o1 ZINC000012055023 525756913 /nfs/dbraw/zinc/75/69/13/525756913.db2.gz NCRSKQSEBLGLLC-AREMUKBSSA-N 0 3 434.536 4.059 50 0 IIAAHN O=C(CC[C@H]1CCCN(Cc2ccc(OCCO)cc2)C1)NCc1ccccc1Cl ZINC000012372935 526570362 /nfs/dbraw/zinc/57/03/62/526570362.db2.gz BFVYXCFFXCZCCD-LJQANCHMSA-N 0 3 430.976 4.020 50 0 IIAAHN Cc1nc(N2CCCCC2)cc(N2CCN(C(=O)Nc3cccc(C(F)(F)F)c3)CC2)n1 ZINC000021795183 526963997 /nfs/dbraw/zinc/96/39/97/526963997.db2.gz CEPBKLOHQOQPPE-UHFFFAOYSA-N 0 3 448.493 4.148 50 0 IIAAHN O=C1NC(=O)[C@](CCc2ccccc2)(C2CCN(Cc3cccc(-c4ccco4)c3)CC2)N1 ZINC000012036583 527055516 /nfs/dbraw/zinc/05/55/16/527055516.db2.gz VGAPDDGGYMHLSZ-MHZLTWQESA-N 0 3 443.547 4.370 50 0 IIAAHN Cc1nn(C)cc1CN(C)C(=O)c1ccc(OC2CCN(CCc3ccccc3)CC2)cc1 ZINC000012373684 527691632 /nfs/dbraw/zinc/69/16/32/527691632.db2.gz KPKGRCLJZRFJAB-UHFFFAOYSA-N 0 3 446.595 4.087 50 0 IIAAHN CN(C)CCNC(=O)/C(=C/c1ccc(-c2ccc(Cl)cc2)o1)NC(=O)c1ccccc1 ZINC000002677484 555797665 /nfs/dbraw/zinc/79/76/65/555797665.db2.gz WDIVNGNSTQACEP-PGMHBOJBSA-N 0 3 437.927 4.049 50 0 IIAAHN O=C1C2ON(c3ccccc3)[C@@H](c3ccccn3)[C@H]2C(=O)N1c1cccc(C(F)(F)F)c1 ZINC000011582433 556342403 /nfs/dbraw/zinc/34/24/03/556342403.db2.gz CABXKYXOJAOEDY-HSALFYBXSA-N 0 3 439.393 4.152 50 0 IIAAHN O=C1NC(=O)[C@](CCCc2ccccc2)(C2CCN(Cc3ccc4cccnc4c3)CC2)N1 ZINC000011790216 556355394 /nfs/dbraw/zinc/35/53/94/556355394.db2.gz WTJGCCPFVLPQDF-MHZLTWQESA-N 0 3 442.563 4.048 50 0 IIAAHN COc1cccc(CN2CCC[C@H](CCC(=O)N3CCN(Cc4ccccc4)CC3)C2)c1 ZINC000011816447 556359112 /nfs/dbraw/zinc/35/91/12/556359112.db2.gz XSVKSOGOARFPIU-XMMPIXPASA-N 0 3 435.612 4.032 50 0 IIAAHN CC(C)Oc1cccc(C(=O)[C@@H]2CCCN(Cc3cn(CC(N)=O)c4ccccc34)C2)c1 ZINC000011817445 556360091 /nfs/dbraw/zinc/36/00/91/556360091.db2.gz MHQKFKXPZLTYQA-HXUWFJFHSA-N 0 3 433.552 4.009 50 0 IIAAHN COCCNC(=O)c1ccc(OC2CCN([C@H](C)Cc3ccc(F)cc3)CC2)c(Cl)c1 ZINC000011842669 556365878 /nfs/dbraw/zinc/36/58/78/556365878.db2.gz MIHJOOUUPZGPRN-QGZVFWFLSA-N 0 3 448.966 4.330 50 0 IIAAHN Cc1ccc(CN2CCC(O)(c3ccc4oc(C(=O)NC[C@H]5CCCO5)cc4c3)CC2)cc1 ZINC000011909667 556374660 /nfs/dbraw/zinc/37/46/60/556374660.db2.gz NILYSIPVGSVCPL-HSZRJFAPSA-N 0 3 448.563 4.134 50 0 IIAAHN Cc1ccc2nc(OCc3ccccc3Cl)c(CNC[C@H]3CCS(=O)(=O)C3)cc2c1 ZINC000011913641 556376137 /nfs/dbraw/zinc/37/61/37/556376137.db2.gz TUPYEQJWAJNDCX-QGZVFWFLSA-N 0 3 444.984 4.300 50 0 IIAAHN CC(C)[C@@H](NC(=O)c1ccccc1Cl)C(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000014200470 556391009 /nfs/dbraw/zinc/39/10/09/556391009.db2.gz AVGOSSNFJRKQDU-FCHUYYIVSA-N 0 3 427.976 4.048 50 0 IIAAHN CCOc1ccc(CN2CCC(Oc3cc(OC)ccc3C(=O)N3CCCC3)CC2)cc1 ZINC000012072351 556396223 /nfs/dbraw/zinc/39/62/23/556396223.db2.gz RPMSAUNVWVPDIH-UHFFFAOYSA-N 0 3 438.568 4.373 50 0 IIAAHN COc1ccc(CN2CCC3(CC2)C(=O)N(CC(C)C)C(=O)N3CCc2ccccc2)cc1 ZINC000014538156 556424405 /nfs/dbraw/zinc/42/44/05/556424405.db2.gz AEIGNGHKSYBTKN-UHFFFAOYSA-N 0 3 449.595 4.193 50 0 IIAAHN O=C([C@H](NC[C@@H](c1c[nH]c2ccccc21)c1ccccc1)c1ccccc1)N1CCOCC1 ZINC000013163987 556495316 /nfs/dbraw/zinc/49/53/16/556495316.db2.gz GWXPYIKRYGCINP-SHQCIBLASA-N 0 3 439.559 4.490 50 0 IIAAHN Cc1cccn2c(CNCCc3ccc(OC(C)C)cc3)c(C(=O)N3CCCCC3)nc12 ZINC000015076571 556499552 /nfs/dbraw/zinc/49/95/52/556499552.db2.gz GRSCDRASLAGZNC-UHFFFAOYSA-N 0 3 434.584 4.388 50 0 IIAAHN CCOC(=O)C1(c2ccccc2)CCN(CCC(=O)Nc2cc(Cl)ccc2OC)CC1 ZINC000013424117 556505540 /nfs/dbraw/zinc/50/55/40/556505540.db2.gz UZDNHTXYJGNVFG-UHFFFAOYSA-N 0 3 444.959 4.274 50 0 IIAAHN CCc1cc(=O)oc2cc(C)cc(O[C@@H](C)C(=O)NC3CCN(Cc4ccccc4)CC3)c12 ZINC000013555752 556516525 /nfs/dbraw/zinc/51/65/25/556516525.db2.gz ZJCGUSVVNCQQED-IBGZPJMESA-N 0 3 448.563 4.212 50 0 IIAAHN COc1ccc(CN2CCC[C@@H](C(=O)N3CCC(Cc4ccccc4)CC3)C2)cc1OC ZINC000015890204 556561594 /nfs/dbraw/zinc/56/15/94/556561594.db2.gz UEYITJHDTAPIIQ-XMMPIXPASA-N 0 3 436.596 4.397 50 0 IIAAHN CCOc1ccc(Br)cc1CNCCCSc1nnnn1-c1ccccc1 ZINC000016692348 556627679 /nfs/dbraw/zinc/62/76/79/556627679.db2.gz DGVNXPJQJLGDRY-UHFFFAOYSA-N 0 3 448.390 4.096 50 0 IIAAHN CCCOc1cccc([C@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2CCCN(C)C)c1 ZINC000016751545 556637474 /nfs/dbraw/zinc/63/74/74/556637474.db2.gz XKBOVNSOJAEHEK-QFIPXVFZSA-N 0 3 438.499 4.218 50 0 IIAAHN CC[C@@H](O)CN(CC(=O)N1CCc2sccc2[C@H]1COc1cccc(F)c1)CC(C)C ZINC000248229174 556676534 /nfs/dbraw/zinc/67/65/34/556676534.db2.gz KFBPRVOSTGVXRB-DENIHFKCSA-N 0 3 448.604 4.121 50 0 IIAAHN CC(C)(C)c1cc(CN2CCC(C(=O)NC[C@@H]3CCCO3)CC2)cc(C(C)(C)C)c1O ZINC000004681958 556878776 /nfs/dbraw/zinc/87/87/76/556878776.db2.gz TYAPLKVGASADIS-FQEVSTJZSA-N 0 3 430.633 4.494 50 0 IIAAHN CCCN(Cc1c(C(=O)N2CCN(C3CCCCC3)CC2)nc2ccccn21)CC1CC1 ZINC000019741524 556883946 /nfs/dbraw/zinc/88/39/46/556883946.db2.gz RRPYPOCULUHHPB-UHFFFAOYSA-N 0 3 437.632 4.047 50 0 IIAAHN O=c1c2c(ncn1Cc1ccccn1)sc1c2CC[C@H](NCc2ccccc2Cl)C1 ZINC000019799428 556916980 /nfs/dbraw/zinc/91/69/80/556916980.db2.gz VASYEMSTTHDVSN-INIZCTEOSA-N 0 3 436.968 4.202 50 0 IIAAHN CN(Cc1ccccc1)C1(CNC(=O)CCc2cn3ccccc3n2)Cc2ccccc2C1 ZINC000019852109 556930967 /nfs/dbraw/zinc/93/09/67/556930967.db2.gz BXEGKNLOZZWSRE-UHFFFAOYSA-N 0 3 438.575 4.053 50 0 IIAAHN COc1cc(CNCCN2CCOCC2)ccc1OCc1c(Cl)cccc1Cl ZINC000019922775 556943967 /nfs/dbraw/zinc/94/39/67/556943967.db2.gz KNHHAJLMABVJMP-UHFFFAOYSA-N 0 3 425.356 4.003 50 0 IIAAHN FC(F)(F)COCCCN1CCN(c2nc(-c3ccccc3)nc3ccccc32)CC1 ZINC000048285716 557057779 /nfs/dbraw/zinc/05/77/79/557057779.db2.gz IWCVDWHXJHAUCW-UHFFFAOYSA-N 0 3 430.474 4.388 50 0 IIAAHN CC(C)c1ccc(NC(=O)CC2C(=O)N(C[C@H]3CCCO3)c3nc4ccccc4n32)cc1 ZINC000023382120 557089169 /nfs/dbraw/zinc/08/91/69/557089169.db2.gz UQSPCFMYJZDBBH-DENIHFKCSA-N 0 3 432.524 4.255 50 0 IIAAHN CCc1ccccc1NC(=O)CC1C(=O)N(Cc2cccnc2)c2nc3ccccc3n21 ZINC000023382478 557089907 /nfs/dbraw/zinc/08/99/07/557089907.db2.gz IDTZDRMYMNGJRT-JOCHJYFZSA-N 0 3 425.492 4.110 50 0 IIAAHN Cc1ccc(C)c(NC(=O)CC2C(=O)N(Cc3ccccn3)c3nc4ccccc4n32)c1 ZINC000023382437 557089972 /nfs/dbraw/zinc/08/99/72/557089972.db2.gz XHWOXPJSOBNKBA-QFIPXVFZSA-N 0 3 425.492 4.165 50 0 IIAAHN CCN1CCN(c2ccc(NC(=O)c3ccc(NC(=O)c4ccco4)s3)c(C)c2)CC1 ZINC000023694168 557107289 /nfs/dbraw/zinc/10/72/89/557107289.db2.gz JHMLZJWBFKHWHP-UHFFFAOYSA-N 0 3 438.553 4.296 50 0 IIAAHN COc1ccc([C@@H]2N(c3ccccc3)OC3C(=O)N(c4ccc(OC)cc4)C(=O)[C@@]32C)cc1 ZINC000102701641 557365668 /nfs/dbraw/zinc/36/56/68/557365668.db2.gz ACHWGWKDDQUFBY-JCYRPKCISA-N 0 3 444.487 4.145 50 0 IIAAHN COc1ccc(N2C(=O)C3ON(c4ccc(Cl)cc4)[C@@H](c4ccccc4)[C@H]3C2=O)cc1 ZINC000102861357 557402123 /nfs/dbraw/zinc/40/21/23/557402123.db2.gz WMUKCJWSARQGPN-BHIFYINESA-N 0 3 434.879 4.400 50 0 IIAAHN CCCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4cccc(O)c4)[C@@H]3C2=O)cc1 ZINC000229996913 557835033 /nfs/dbraw/zinc/83/50/33/557835033.db2.gz QQENCQLIBAWUEO-RBZQAINGSA-N 0 3 444.487 4.232 50 0 IIAAHN CCn1c2ccccc2c2sc(C(=O)NCCCN(C)Cc3ccccc3)cc2c1=O ZINC000008599366 562954735 /nfs/dbraw/zinc/95/47/35/562954735.db2.gz UQTQNOGVVCMXOG-UHFFFAOYSA-N 0 3 433.577 4.488 50 0 IIAAHN COc1ccccc1C1=NN2[C@H](C1)c1cc(Br)ccc1OC21CCN(C)CC1 ZINC000008836531 562965036 /nfs/dbraw/zinc/96/50/36/562965036.db2.gz FXHJPAYQNLCTQC-LJQANCHMSA-N 0 3 442.357 4.423 50 0 IIAAHN CCCCS[C@H]1CCCC[C@H]1OC(=O)CCN1C[C@H]2C[C@@H](C1)Cn1c(=O)cccc12 ZINC000263586684 568759525 /nfs/dbraw/zinc/75/95/25/568759525.db2.gz WXRHXRQJLTZHBC-PSBKLILYSA-N 0 3 432.630 4.045 50 0 biogenic IIAAHN CCN(CC)[C@H](CNC(=O)c1c[nH]c(=S)n1-c1ccc(F)cc1)c1cccc(OC)c1 ZINC000025861300 568785727 /nfs/dbraw/zinc/78/57/27/568785727.db2.gz LDOWYGGCUXFVPY-HXUWFJFHSA-N 0 3 442.560 4.495 50 0 IIAAHN COc1cc(NC(=O)N2CCC[C@H](CN3CCc4ccccc4C3)C2)cc(OC)c1OC ZINC000015679536 568806105 /nfs/dbraw/zinc/80/61/05/568806105.db2.gz BIKDOUBJCKSDMG-GOSISDBHSA-N 0 3 439.556 4.015 50 0 IIAAHN O=C1C2ON(c3ccccc3)[C@H](c3ccncc3)[C@H]2C(=O)N1c1cccc(C(F)(F)F)c1 ZINC000006144619 568846039 /nfs/dbraw/zinc/84/60/39/568846039.db2.gz OYAYTABGNJMOJJ-VAMGGRTRSA-N 0 3 439.393 4.152 50 0 IIAAHN COc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(Cl)cc4)[C@H]3C2=O)cc1 ZINC000239046351 568910544 /nfs/dbraw/zinc/91/05/44/568910544.db2.gz FOSNTVDHSDNFAX-BHIFYINESA-N 0 3 434.879 4.400 50 0 IIAAHN CN(c1ccc(NC(=O)N2CCCC[C@@H](N3CCN(C)CC3)C2)cc1F)C1CCCCC1 ZINC000089382617 568921322 /nfs/dbraw/zinc/92/13/22/568921322.db2.gz UBCWHYYNRVPWDZ-JOCHJYFZSA-N 0 3 445.627 4.228 50 0 IIAAHN CCNC(=O)N(CCN1CCCCC1)Cc1csc(COc2cccc(C)c2C)n1 ZINC000036116622 568955787 /nfs/dbraw/zinc/95/57/87/568955787.db2.gz SYEBPIDNDVIAQB-UHFFFAOYSA-N 0 3 430.618 4.356 50 0 IIAAHN CC(C)CCN(CC(=O)N1CCc2sccc2[C@H]1COc1ccc(F)cc1)C[C@@H](C)O ZINC000169680068 568990754 /nfs/dbraw/zinc/99/07/54/568990754.db2.gz PROUWLVYZDGUOS-XMSQKQJNSA-N 0 3 448.604 4.121 50 0 IIAAHN O=C1C2ON(c3ccccc3)[C@@H](c3ccncc3)[C@@H]2C(=O)N1c1cccc(C(F)(F)F)c1 ZINC000169679756 568991101 /nfs/dbraw/zinc/99/11/01/568991101.db2.gz OYAYTABGNJMOJJ-SLFFLAALSA-N 0 3 439.393 4.152 50 0 IIAAHN CCCN(CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(C(C)C)cc1)C[C@@H](C)O ZINC000036309241 568995853 /nfs/dbraw/zinc/99/58/53/568995853.db2.gz DQMWZDUHGVKYEW-XXBNENTESA-N 0 3 444.641 4.469 50 0 IIAAHN COCCCN(Cc1c(-c2ccccc2)noc1N1CCCC1)C[C@H](O)Cc1ccccc1 ZINC000036312938 568998129 /nfs/dbraw/zinc/99/81/29/568998129.db2.gz UPOLCRHCCZTQSW-XMMPIXPASA-N 0 3 449.595 4.384 50 0 IIAAHN O=C(c1ccnc(N2CCN[C@@H](c3ccccc3)C2)c1)N1CCC(Cc2ccccc2)CC1 ZINC000065255912 569122953 /nfs/dbraw/zinc/12/29/53/569122953.db2.gz BYGRZSDLPIGLFD-AREMUKBSSA-N 0 3 440.591 4.327 50 0 IIAAHN Cc1cccc(-c2nc(NCCN3CCCCC3)nc3nn(Cc4ccccc4)c(N)c32)c1 ZINC000037375920 569185455 /nfs/dbraw/zinc/18/54/55/569185455.db2.gz RZEBOQMLACXIDL-UHFFFAOYSA-N 0 3 441.583 4.330 50 0 IIAAHN O=C([C@@H]1c2ccccc2C(=O)N2CCc3ccccc3[C@H]12)N1CCN(C2CCCCC2)CC1 ZINC000020138948 569336085 /nfs/dbraw/zinc/33/60/85/569336085.db2.gz SLIZCCINQZPUTQ-CLJLJLNGSA-N 0 3 443.591 4.000 50 0 IIAAHN C[C@H]1C[C@@H](NC(=O)COc2ccc(Oc3ccccn3)cc2)CCN1Cc1ccccc1 ZINC000095408997 569365208 /nfs/dbraw/zinc/36/52/08/569365208.db2.gz YJOAPKMPADYJON-UNMCSNQZSA-N 0 3 431.536 4.422 50 0 IIAAHN CS[C@@H]1CN([C@@H](C)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)C[C@@H]1N1CCCC1 ZINC000095941525 569375424 /nfs/dbraw/zinc/37/54/24/569375424.db2.gz OUWAVVYBOMYYLB-AFAVFJNCSA-N 0 3 435.943 4.197 50 0 IIAAHN Cc1ccccc1C(=O)NC(=S)Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1 ZINC000057251288 569430146 /nfs/dbraw/zinc/43/01/46/569430146.db2.gz PXRXBAVNIWWISC-UHFFFAOYSA-N 0 3 444.604 4.444 50 0 IIAAHN CN(CC(=O)Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1)Cc1ccc(F)cc1 ZINC000057315375 569431001 /nfs/dbraw/zinc/43/10/01/569431001.db2.gz CGDJDMGWMPWMRL-UHFFFAOYSA-N 0 3 446.570 4.218 50 0 IIAAHN CCCCNC(=O)CC1N=C2c3ccccc3N=C(SCc3ccc(F)cc3)N2C1=O ZINC000002968059 569432971 /nfs/dbraw/zinc/43/29/71/569432971.db2.gz CVVJXCBMFHPIJL-IBGZPJMESA-N 0 3 438.528 4.024 50 0 IIAAHN O=C(NCCN1CCCC1)c1ccc2c(c1)NC(=O)/C(=C\c1cccc(Cl)c1)S2 ZINC000003589354 569454513 /nfs/dbraw/zinc/45/45/13/569454513.db2.gz JTUJFJNTGOSPIY-DEDYPNTBSA-N 0 3 427.957 4.251 50 0 IIAAHN CNC(=O)c1ccc(CN(C[C@H](O)Cn2c3ccccc3c3ccccc32)C2CC2)cc1 ZINC000040059679 569484767 /nfs/dbraw/zinc/48/47/67/569484767.db2.gz RDZYDJVFWAEOEP-QFIPXVFZSA-N 0 3 427.548 4.180 50 0 IIAAHN CC[C@H](C)[C@@H](NC(=O)OCc1ccccc1)C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000009612444 569552851 /nfs/dbraw/zinc/55/28/51/569552851.db2.gz JWTQCVWAAYGGOM-GBXCKJPGSA-N 0 3 437.584 4.108 50 0 IIAAHN Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CN[C@@H](c1ccccc1)C(C)C ZINC000009836617 569570745 /nfs/dbraw/zinc/57/07/45/569570745.db2.gz RHYYDFKYQFNIKI-XMMPIXPASA-N 0 3 443.613 4.095 50 0 IIAAHN Cc1cc2oc3c(c(=O)c2cc1Cl)[C@H](c1cccc(F)c1)N(CCCN(C)C)C3=O ZINC000010233080 569579448 /nfs/dbraw/zinc/57/94/48/569579448.db2.gz JNXYGZYOXBQTPE-FQEVSTJZSA-N 0 3 428.891 4.391 50 0 IIAAHN C[C@H](NC[C@@H](c1cccs1)c1c[nH]c2ccccc21)C(=O)N1CC(=O)Nc2ccccc21 ZINC000009579412 132322139 /nfs/dbraw/zinc/32/21/39/132322139.db2.gz HVPMQMJDUJEFQU-QFBILLFUSA-N 0 3 444.560 4.325 50 0 IIAAHN C[C@H](NC[C@@H](c1c[nH]c2ccccc21)c1ccccc1)C(=O)N1CC(=O)Nc2ccccc21 ZINC000009782269 132328911 /nfs/dbraw/zinc/32/89/11/132328911.db2.gz PGRLJYCUTGFIBC-GHTZIAJQSA-N 0 3 438.531 4.263 50 0 IIAAHN CC(C)Cc1cc(CN2CCC[C@H](N3CCN(c4cccc(C(F)(F)F)c4)CC3)C2)[nH]n1 ZINC000020783434 519432275 /nfs/dbraw/zinc/43/22/75/519432275.db2.gz CEEOKCFMFMFOFF-QHCPKHFHSA-N 0 3 449.565 4.414 50 0 IIAAHN CC(C)Cc1cc(CN2CCC[C@H](N3CCN(c4cccc(C(F)(F)F)c4)CC3)C2)n[nH]1 ZINC000020783434 519432283 /nfs/dbraw/zinc/43/22/83/519432283.db2.gz CEEOKCFMFMFOFF-QHCPKHFHSA-N 0 3 449.565 4.414 50 0 IIAAHN CCN1CCN(c2ccc(NC(=O)CSc3nccn3-c3cccc(C)c3C)cc2)CC1 ZINC000012525740 521698402 /nfs/dbraw/zinc/69/84/02/521698402.db2.gz OGCYAOZGBMFHFY-UHFFFAOYSA-N 0 3 449.624 4.362 50 0 IIAAHN CN(C)CCN(C[C@@H]1CCCN(Cc2ccccc2F)C1)C(=O)c1cnc2ccccc2c1 ZINC000012597350 521747869 /nfs/dbraw/zinc/74/78/69/521747869.db2.gz LQVSACKBRQBKKS-OAQYLSRUSA-N 0 3 448.586 4.290 50 0 IIAAHN COCc1cc([C@@H]2C[C@H]3CN(Cc4cccc(Cl)c4)C(=O)[C@]34CCCN24)ccc1OC ZINC000012301751 522938910 /nfs/dbraw/zinc/93/89/10/522938910.db2.gz ZBMWBZXTMONHKT-XTJBDQBJSA-N 0 3 440.971 4.433 50 0 IIAAHN CN1CCN(CCCNC(=O)c2[nH]c3ccccc3c2Sc2ccc(Cl)cc2)CC1 ZINC000020466664 523896659 /nfs/dbraw/zinc/89/66/59/523896659.db2.gz ONGWUDVQHZOCKN-UHFFFAOYSA-N 0 3 443.016 4.340 50 0 IIAAHN COCCNC(=O)c1ccc(OC2CCN([C@@H](C)COc3ccccc3)CC2)c(Cl)c1 ZINC000012373284 523925783 /nfs/dbraw/zinc/92/57/83/523925783.db2.gz HJGGBYRBTNYRIE-SFHVURJKSA-N 0 3 446.975 4.027 50 0 IIAAHN COCCNC(=O)c1ccc(OC2CCN(Cc3c[nH]c4ccccc34)CC2)c(Cl)c1 ZINC000012472501 523926719 /nfs/dbraw/zinc/92/67/19/523926719.db2.gz JTKBFHMTQBLIHI-UHFFFAOYSA-N 0 3 441.959 4.241 50 0 IIAAHN Cc1cccc(CN(C(=O)C2CCCC2)c2ccc(CC(=O)NCCN3CCCC3)cc2)c1 ZINC000034680114 524364651 /nfs/dbraw/zinc/36/46/51/524364651.db2.gz WFEBBECIPJREDS-UHFFFAOYSA-N 0 3 447.623 4.473 50 0 IIAAHN Cc1cc(C)n(Cc2cccc(C(=O)N(C)[C@@H]3CCCN(C4Cc5ccccc5C4)C3)c2)n1 ZINC000012755998 524540393 /nfs/dbraw/zinc/54/03/93/524540393.db2.gz GHMWHOMYKKYLSI-AREMUKBSSA-N 0 3 442.607 4.252 50 0 IIAAHN Cc1ccc(-c2nn(Cc3ccccc3)cc2C(=O)N2CCN(c3ccncc3)CC2)cc1 ZINC000023913739 525841432 /nfs/dbraw/zinc/84/14/32/525841432.db2.gz RPNIYSJTRSZQON-UHFFFAOYSA-N 0 3 437.547 4.264 50 0 IIAAHN COc1cccc(CN2CCC(Oc3ccc(C(=O)NCc4ccccn4)cc3)CC2)c1 ZINC000012437424 525933279 /nfs/dbraw/zinc/93/32/79/525933279.db2.gz WHNNTTMERJKMAC-UHFFFAOYSA-N 0 3 431.536 4.064 50 0 IIAAHN Cc1cc(C(=O)N(C)[C@@H](Cc2ccccc2)C2CCN(Cc3cccc(F)c3)CC2)n(C)n1 ZINC000012129988 526225660 /nfs/dbraw/zinc/22/56/60/526225660.db2.gz HCALXJOOWWYLQT-VWLOTQADSA-N 0 3 448.586 4.463 50 0 IIAAHN Cn1c(SCCN2CCCCC2)nnc1C1CCN(Cc2c(F)cccc2F)CC1 ZINC000012212233 527085448 /nfs/dbraw/zinc/08/54/48/527085448.db2.gz IFXOICTYFSWWTG-UHFFFAOYSA-N 0 3 435.588 4.051 50 0 IIAAHN O=C(Nc1ccc(-c2cc[nH]n2)cc1)[C@@H]1CCCN(Cc2cccc(-n3cccn3)c2)C1 ZINC000012433678 527138567 /nfs/dbraw/zinc/13/85/67/527138567.db2.gz GJDIHJPVGCGJCD-OAQYLSRUSA-N 0 3 426.524 4.113 50 0 IIAAHN O=C(Nc1ccccc1Oc1cccnc1)[C@@H]1CCCN(Cc2ccc3nonc3c2)C1 ZINC000012307974 527433783 /nfs/dbraw/zinc/43/37/83/527433783.db2.gz YRSAQZQQNBTXLY-GOSISDBHSA-N 0 3 429.480 4.261 50 0 IIAAHN O=C(NC1CCN(Cc2ccccc2)CC1)[C@@H]1CCCC[C@@H]1C(=O)N1CCc2ccccc21 ZINC000022407050 527531620 /nfs/dbraw/zinc/53/16/20/527531620.db2.gz AODQPNYWAZRQLT-RPBOFIJWSA-N 0 3 445.607 4.163 50 0 IIAAHN CCCCC(=O)Nc1ccc2c(c1)nc(CCN1CCN(c3ccc(C)cc3)CC1)n2C ZINC000005339903 534956677 /nfs/dbraw/zinc/95/66/77/534956677.db2.gz PYVAHOSFAWUCCR-UHFFFAOYSA-N 0 3 433.600 4.375 50 0 IIAAHN Cc1ccc(CN(C(=O)C2CC2)c2ccc(CC(=O)NCCN3CCCCC3)cc2)cc1 ZINC000034679785 555790147 /nfs/dbraw/zinc/79/01/47/555790147.db2.gz VGYDZNPJMHQJGE-UHFFFAOYSA-N 0 3 433.596 4.083 50 0 IIAAHN Cc1ccc(-n2nc(C(=O)NC3CCN(Cc4ccccc4)CC3)nc2-c2ccoc2)cc1 ZINC000034911254 555923618 /nfs/dbraw/zinc/92/36/18/555923618.db2.gz VROHXXMVKVCCEO-UHFFFAOYSA-N 0 3 441.535 4.230 50 0 IIAAHN O=C1C2ON(c3ccccc3)[C@H](c3cccnc3)[C@H]2C(=O)N1c1ccc(Cl)c(Cl)c1 ZINC000004325359 556323361 /nfs/dbraw/zinc/32/33/61/556323361.db2.gz FYHTYUXWMHZIRA-VAMGGRTRSA-N 0 3 440.286 4.440 50 0 IIAAHN Cc1oc(-c2cccs2)nc1CN1CCC[C@@H](CNC(=O)c2n[nH]c3ccccc32)C1 ZINC000011662697 556343892 /nfs/dbraw/zinc/34/38/92/556343892.db2.gz ROKIMKNFDNEECF-INIZCTEOSA-N 0 3 435.553 4.230 50 0 IIAAHN COc1ccc(CN2CCC[C@H](CCC(=O)N3CCN(Cc4ccccc4)CC3)C2)cc1 ZINC000011818093 556360571 /nfs/dbraw/zinc/36/05/71/556360571.db2.gz KTOHRJCMWLSQBX-XMMPIXPASA-N 0 3 435.612 4.032 50 0 IIAAHN CCOc1cccc(CN2CCC(n3nccc3NC(=O)[C@@H](OC)c3ccccc3)CC2)c1 ZINC000011844022 556367192 /nfs/dbraw/zinc/36/71/92/556367192.db2.gz RFXLYYHMPUWNTQ-VWLOTQADSA-N 0 3 448.567 4.445 50 0 IIAAHN C[C@@H]1CN(CCC(=O)N2CCC(Oc3ccc(Cl)cc3)CC2)Cc2ccccc2O1 ZINC000011880539 556372464 /nfs/dbraw/zinc/37/24/64/556372464.db2.gz GGZLIRQXXJGBPR-GOSISDBHSA-N 0 3 428.960 4.383 50 0 IIAAHN COc1cc(CN2C(=O)CC[C@@H]3CN(Cc4ccc(C)cc4)CC[C@@H]32)cc(OC)c1OC ZINC000011881818 556373225 /nfs/dbraw/zinc/37/32/25/556373225.db2.gz DHOZHHLMPOHHDN-YADHBBJMSA-N 0 3 438.568 4.034 50 0 IIAAHN O=C(/C=C/c1ccc(F)c(F)c1)NC[C@@H]1CCC2(CCN(Cc3ccccc3F)CC2)O1 ZINC000011882402 556373612 /nfs/dbraw/zinc/37/36/12/556373612.db2.gz MEDMKTJUIWJRKK-IEJURRBGSA-N 0 3 444.497 4.447 50 0 IIAAHN CN(CC1CCN(CCc2cccc(C(F)(F)F)c2)CC1)C(=O)[C@H]1Cc2ccccc2O1 ZINC000012057788 556394996 /nfs/dbraw/zinc/39/49/96/556394996.db2.gz RHSQRVJZLYPKHH-HSZRJFAPSA-N 0 3 446.513 4.422 50 0 IIAAHN CC(C)CN1C(=O)N(C2Cc3ccccc3C2)C(=O)C12CCN(Cc1ccsc1)CC2 ZINC000014534635 556422813 /nfs/dbraw/zinc/42/28/13/556422813.db2.gz SIEMBRIWVIHTIV-UHFFFAOYSA-N 0 3 437.609 4.170 50 0 IIAAHN Cc1cc(NC(=O)CN[C@@H](c2ccc3c(c2)OCCCO3)C(C)C)n(-c2ccccc2)n1 ZINC000012990970 556428340 /nfs/dbraw/zinc/42/83/40/556428340.db2.gz QQMCTJPRADDJJX-RUZDIDTESA-N 0 3 434.540 4.267 50 0 IIAAHN CN1C(=O)N(CCCc2ccncc2)C(=O)C12CCN(Cc1cc3ccccc3s1)CC2 ZINC000014748145 556442292 /nfs/dbraw/zinc/44/22/92/556442292.db2.gz KNFRJFMIFIRVSH-UHFFFAOYSA-N 0 3 448.592 4.158 50 0 IIAAHN CC(C)CNC(=O)[C@@H]1C[C@H](COc2ccc3c(c2)CCC3)CN(Cc2ccc(O)cc2)C1 ZINC000014749860 556443054 /nfs/dbraw/zinc/44/30/54/556443054.db2.gz WGEYMXPSCUCWIO-XUZZJYLKSA-N 0 3 436.596 4.170 50 0 IIAAHN CC1CCN([C@@H](CNC(=O)COc2ccc(Br)cc2)c2cccs2)CC1 ZINC000028291517 556450128 /nfs/dbraw/zinc/45/01/28/556450128.db2.gz RITFPBNAONQSNB-SFHVURJKSA-N 0 3 437.403 4.479 50 0 IIAAHN CC(C)(C)CN1CCN(c2cccc3c2C(=O)N(Cc2ccccc2Cl)C3=O)CC1 ZINC000014977687 556469606 /nfs/dbraw/zinc/46/96/06/556469606.db2.gz LIGTYWJAGSKIHC-UHFFFAOYSA-N 0 3 425.960 4.304 50 0 IIAAHN CN(C)Cc1ccc(NC(=O)C2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)cc1 ZINC000029952101 556487357 /nfs/dbraw/zinc/48/73/57/556487357.db2.gz XODDWUYTLLGPMH-UHFFFAOYSA-N 0 3 433.474 4.258 50 0 IIAAHN CSc1nnc(CCCNC(=O)c2ccc(CN3CCCCC3)cc2)n1CC(C)C ZINC000032903485 556539611 /nfs/dbraw/zinc/53/96/11/556539611.db2.gz RLWGBDCBQOMPRJ-UHFFFAOYSA-N 0 3 429.634 4.005 50 0 IIAAHN O=C(NC1CCN(Cc2ccccc2)CC1)c1cc(-c2ccc(Br)cc2)n[nH]1 ZINC000015721675 556545378 /nfs/dbraw/zinc/54/53/78/556545378.db2.gz XWRKAEZJECYCCO-UHFFFAOYSA-N 0 3 439.357 4.234 50 0 IIAAHN CCOC(=O)CCN(C[C@H]1CCCN1CC)C(=O)c1cnc(-c2ccc(C)cc2C)s1 ZINC000060267300 556601162 /nfs/dbraw/zinc/60/11/62/556601162.db2.gz BDJHLKSIMDPAEI-LJQANCHMSA-N 0 3 443.613 4.307 50 0 IIAAHN CCCOc1ccc([C@@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2CCCN(C)C)cc1 ZINC000016752102 556637831 /nfs/dbraw/zinc/63/78/31/556637831.db2.gz WTFBWQLGLXMUCP-HSZRJFAPSA-N 0 3 434.536 4.387 50 0 IIAAHN CC(=O)Nc1cccc2c1ccn2CC(=O)Nc1ccc(OCCN2CCCCC2)cc1 ZINC000409414594 556639810 /nfs/dbraw/zinc/63/98/10/556639810.db2.gz NDWWUQFQJJLBKO-UHFFFAOYSA-N 0 3 434.540 4.103 50 0 IIAAHN Cc1nn(Cc2ccccc2)c(Cl)c1CN1CCC(CN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000060368404 556748798 /nfs/dbraw/zinc/74/87/98/556748798.db2.gz UBEBWXBGIMCBDR-OALUTQOASA-N 0 3 431.024 4.214 50 0 IIAAHN O=C(c1cc(Cl)c2c(c1)OCCCO2)N1CCCN(CCCc2ccccc2)CC1 ZINC000058217219 556772911 /nfs/dbraw/zinc/77/29/11/556772911.db2.gz MZGMJGWRGSILQI-UHFFFAOYSA-N 0 3 428.960 4.282 50 0 IIAAHN CCCn1c2ccccc2nc(-c2ccc(C(=O)NCCN3CCCCCC3)cc2)c1=O ZINC000033171756 556882616 /nfs/dbraw/zinc/88/26/16/556882616.db2.gz LEIFWJDHTQISPP-UHFFFAOYSA-N 0 3 432.568 4.079 50 0 IIAAHN Brc1cccc(CN2CCN(C3CCN(Cc4ccccc4)CC3)CC2)c1 ZINC000019788780 556914018 /nfs/dbraw/zinc/91/40/18/556914018.db2.gz AELHAYKHYGKTFK-UHFFFAOYSA-N 0 3 428.418 4.231 50 0 IIAAHN Cc1ccc(OCCN2CCN(C[C@@H](O)Cn3c4ccccc4c4ccccc43)CC2)cc1 ZINC000019866645 556934433 /nfs/dbraw/zinc/93/44/33/556934433.db2.gz GVGJONSSZLBTJH-HSZRJFAPSA-N 0 3 443.591 4.160 50 0 IIAAHN CCOC(=O)c1c(NC(=O)c2ccc3c(c2)OCCO3)sc2c1CC(C)(C)NC2(C)C ZINC000017297552 557047521 /nfs/dbraw/zinc/04/75/21/557047521.db2.gz DDTIKHYIHUIKAY-UHFFFAOYSA-N 0 3 444.553 4.108 50 0 IIAAHN COCCCN1C(=O)C(CC(=O)Nc2cccc(Cl)c2Cl)n2c3ccccc3nc21 ZINC000023382055 557089206 /nfs/dbraw/zinc/08/92/06/557089206.db2.gz AUEUVXKCEBAGQA-QGZVFWFLSA-N 0 3 447.322 4.296 50 0 IIAAHN O=C(CC1C(=O)N(C[C@@H]2CCCO2)c2nc3ccccc3n21)Nc1cccc2ccccc21 ZINC000023382304 557089629 /nfs/dbraw/zinc/08/96/29/557089629.db2.gz DCFDFPVSRRPJKH-FDDCHVKYSA-N 0 3 440.503 4.285 50 0 IIAAHN CC[C@@H](C)[C@@H](NC(=O)C1CCC(C)CC1)C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000004778585 557112811 /nfs/dbraw/zinc/11/28/11/557112811.db2.gz SNJNEGRMALSFKO-VJPJIRKWSA-N 0 3 427.633 4.124 50 0 IIAAHN CCCC[C@@H]1[C@@H]2C(=O)N(c3ccc(Br)cc3)C(=O)C2ON1c1ccccc1 ZINC000101025250 557214444 /nfs/dbraw/zinc/21/44/44/557214444.db2.gz HZCHVXGZXPEOCQ-QYZOEREBSA-N 0 3 429.314 4.318 50 0 IIAAHN C[C@@H](NCCc1ccc2c(c1)OCCO2)c1nc(=O)c2c(-c3ccccc3)csc2[nH]1 ZINC000025686248 557222092 /nfs/dbraw/zinc/22/20/92/557222092.db2.gz LHFCOSXJZHHTIH-OAHLLOKOSA-N 0 3 433.533 4.316 50 0 IIAAHN O=C1C2ON(c3ccccc3)[C@@H](c3ccncc3)[C@H]2C(=O)N1c1cccc(C(F)(F)F)c1 ZINC000018033983 557230628 /nfs/dbraw/zinc/23/06/28/557230628.db2.gz OYAYTABGNJMOJJ-HSALFYBXSA-N 0 3 439.393 4.152 50 0 IIAAHN COc1cc(C(=O)NCC(C)(C)N2CCCCC2)cc(OC)c1OCc1ccccc1 ZINC000027412998 557262073 /nfs/dbraw/zinc/26/20/73/557262073.db2.gz KTIOLATUMCRFNJ-UHFFFAOYSA-N 0 3 426.557 4.277 50 0 IIAAHN COc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccc(Cl)cc2)[C@H]3c2cccs2)cc1 ZINC000101997237 557311105 /nfs/dbraw/zinc/31/11/05/557311105.db2.gz VOOMCSJTSLNGRL-SLFFLAALSA-N 0 3 440.908 4.461 50 0 IIAAHN COc1ccc(N2C(=O)C3ON(c4ccc(Cl)cc4)[C@@H](c4cccs4)[C@@H]3C2=O)cc1 ZINC000101997237 557311106 /nfs/dbraw/zinc/31/11/06/557311106.db2.gz VOOMCSJTSLNGRL-SLFFLAALSA-N 0 3 440.908 4.461 50 0 IIAAHN COc1ccc(N2C(=O)C3ON(c4ccc(Cl)cc4)[C@@H](c4cccs4)[C@H]3C2=O)cc1 ZINC000101997242 557311357 /nfs/dbraw/zinc/31/13/57/557311357.db2.gz VOOMCSJTSLNGRL-HSALFYBXSA-N 0 3 440.908 4.461 50 0 IIAAHN COc1ccc([C@H](c2c(O)cc(C)n(Cc3ccccn3)c2=O)N2CCC(C)CC2)cc1 ZINC000024023043 557391596 /nfs/dbraw/zinc/39/15/96/557391596.db2.gz MEMRLHPCFNFNGS-RUZDIDTESA-N 0 3 433.552 4.136 50 0 IIAAHN Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@@H]1N2C(=S)NC(=O)c1ccc(Br)cc1 ZINC000003262848 562933482 /nfs/dbraw/zinc/93/34/82/562933482.db2.gz PIZSXFVKTPLNGH-HKUYNNGSSA-N 0 3 444.398 4.080 50 0 IIAAHN CN(C)CCN(C[C@H]1CCCN(Cc2ccccc2F)C1)C(=O)c1ccc(Cl)cc1 ZINC000012725726 562982993 /nfs/dbraw/zinc/98/29/93/562982993.db2.gz UCIMUKXLDLVTCK-IBGZPJMESA-N 0 3 431.983 4.395 50 0 IIAAHN Clc1ccc(-c2nnc(-c3ccc(Br)cc3)nc2N2CCNCC2)cc1 ZINC000000978196 568648521 /nfs/dbraw/zinc/64/85/21/568648521.db2.gz QCWXOQIAFRNQMG-UHFFFAOYSA-N 0 3 430.737 4.031 50 0 IIAAHN COc1ccc(Cl)cc1NC(=O)[C@@H]1C[C@@H](CC(C)C)N[C@@]12C(=O)Nc1ccccc12 ZINC000016026672 568864678 /nfs/dbraw/zinc/86/46/78/568864678.db2.gz SLKDYJURTYHIJA-LPXYKDPNSA-N 0 3 427.932 4.159 50 0 IIAAHN O=C(Nc1ccccc1Oc1ccccc1)N[C@@H]1CCN(Cc2ccccc2)C[C@@H]1CO ZINC000229849834 568887120 /nfs/dbraw/zinc/88/71/20/568887120.db2.gz KJKUGEAELYWBPP-FYYLOGMGSA-N 0 3 431.536 4.483 50 0 IIAAHN CCCN(CC(=O)N1CCc2sccc2[C@H]1COc1ccc(C)cc1C)C[C@@H](O)CC ZINC000169680362 568990822 /nfs/dbraw/zinc/99/08/22/568990822.db2.gz NUBJGLANUMUIIK-RBBKRZOGSA-N 0 3 444.641 4.353 50 0 IIAAHN CCCN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1OC)C[C@H](O)COC ZINC000036305925 568995434 /nfs/dbraw/zinc/99/54/34/568995434.db2.gz CDZBERIAPSHAJH-FQEVSTJZSA-N 0 3 439.556 4.107 50 0 IIAAHN CCCN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(OC)cc1)C[C@H](O)COC ZINC000036306292 568995649 /nfs/dbraw/zinc/99/56/49/568995649.db2.gz RFGDCFCMKOHRFG-FQEVSTJZSA-N 0 3 439.556 4.107 50 0 IIAAHN CC[C@H](O)CN(CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(C)cc1)CC(C)C ZINC000036309095 568995768 /nfs/dbraw/zinc/99/57/68/568995768.db2.gz XIYRZRKEMXNQIO-REWPJTCUSA-N 0 3 444.641 4.290 50 0 IIAAHN CCC[C@H](O)CN(CCC)CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(C)cc1 ZINC000036309141 568995829 /nfs/dbraw/zinc/99/58/29/568995829.db2.gz OPZKSNAVAZBEPP-REWPJTCUSA-N 0 3 444.641 4.434 50 0 IIAAHN Fc1ccccc1[C@@H](c1nc(-c2cccc(CN3CCCCC3)c2)no1)N1CCOCC1 ZINC000170606741 569144345 /nfs/dbraw/zinc/14/43/45/569144345.db2.gz VADRVJONMHBEOQ-QHCPKHFHSA-N 0 3 436.531 4.283 50 0 IIAAHN CN(C)CCN(C(=O)CN1C(=O)CSc2ccccc21)c1cccc(Cl)c1Cl ZINC000170610485 569145058 /nfs/dbraw/zinc/14/50/58/569145058.db2.gz TUEFAKLTCJTOSB-UHFFFAOYSA-N 0 3 438.380 4.027 50 0 IIAAHN Cc1cccc(NC(=O)[C@@H]2CCCN(C[C@@H](O)COc3ccc(-c4ccccc4)cc3)C2)n1 ZINC000195529359 569204228 /nfs/dbraw/zinc/20/42/28/569204228.db2.gz GVNMHVVYSJLPOU-DNQXCXABSA-N 0 3 445.563 4.147 50 0 IIAAHN COc1ccc(-n2c(NCCCN(C)C)nc3sc4c(c3c2=O)CCCCC4)cc1 ZINC000002230419 569210378 /nfs/dbraw/zinc/21/03/78/569210378.db2.gz PGUTZPHFDGFHHF-UHFFFAOYSA-N 0 3 426.586 4.088 50 0 IIAAHN S=C(N[C@@H]1CCN(c2ccc(Cl)cc2)C1)NC1CCN(Cc2ccccc2)CC1 ZINC000253392698 569264297 /nfs/dbraw/zinc/26/42/97/569264297.db2.gz MHCVGVIBPMDMFM-OAQYLSRUSA-N 0 3 429.033 4.047 50 0 IIAAHN CC1CCN([C@H](CNC(=O)CCc2nc(-c3cccs3)no2)c2cccs2)CC1 ZINC000027574540 569273796 /nfs/dbraw/zinc/27/37/96/569273796.db2.gz APAOVKHWJALBJJ-MRXNPFEDSA-N 0 3 430.599 4.382 50 0 IIAAHN O=C([C@H]1c2ccccc2C(=O)N2CCc3ccccc3[C@H]12)N1CCN(C2CCCCC2)CC1 ZINC000020138946 569336113 /nfs/dbraw/zinc/33/61/13/569336113.db2.gz SLIZCCINQZPUTQ-IZZNHLLZSA-N 0 3 443.591 4.000 50 0 IIAAHN O=C(NCc1ccccc1CN1CCC[C@@H]1CO)[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl ZINC000096007059 569379501 /nfs/dbraw/zinc/37/95/01/569379501.db2.gz QQJLRDKXZYPOCO-HLAWJBBLSA-N 0 3 433.379 4.370 50 0 IIAAHN CCN(CC)[C@@H](CNC(=O)NCc1ccc(NC(=O)C(C)C)cc1)c1cccc(OC)c1 ZINC000031031374 569452680 /nfs/dbraw/zinc/45/26/80/569452680.db2.gz IIDUOPALQJMWIX-QHCPKHFHSA-N 0 3 440.588 4.172 50 0 IIAAHN CN(C)Cc1ccc(-c2ccccc2CNC(=O)[C@@H]2CC(=O)Nc3cc(F)ccc32)cc1 ZINC000031079277 569453289 /nfs/dbraw/zinc/45/32/89/569453289.db2.gz KGOWOOFTFPLCIF-HSZRJFAPSA-N 0 3 431.511 4.297 50 0 IIAAHN CCN1CCN(c2ccc(NC(=O)CSc3nc(C)c(Cc4ccccc4)[nH]3)cc2)CC1 ZINC000008720178 569471494 /nfs/dbraw/zinc/47/14/94/569471494.db2.gz HYRRVXFADMOSDV-UHFFFAOYSA-N 0 3 449.624 4.182 50 0 IIAAHN CCN1CCN(c2ccc(NC(=O)CSc3nc(Cc4ccccc4)c(C)[nH]3)cc2)CC1 ZINC000008720178 569471495 /nfs/dbraw/zinc/47/14/95/569471495.db2.gz HYRRVXFADMOSDV-UHFFFAOYSA-N 0 3 449.624 4.182 50 0 IIAAHN CN(C)CCNC(=O)c1ccc(Cn2c3cnccc3nc2SCc2ccccc2)cc1 ZINC000008913486 569485306 /nfs/dbraw/zinc/48/53/06/569485306.db2.gz FUDAGPCASJFGNB-UHFFFAOYSA-N 0 3 445.592 4.063 50 0 IIAAHN COc1ccc([C@@H]2N(c3ccccc3)OC3C(=O)N(c4ccc(OC)cc4)C(=O)[C@]32C)cc1 ZINC000009109898 569501970 /nfs/dbraw/zinc/50/19/70/569501970.db2.gz ACHWGWKDDQUFBY-ZEVJAHDQSA-N 0 3 444.487 4.145 50 0 IIAAHN COc1ccc([C@H](CNC(=O)Cn2c3ccccc3nc2C(F)(F)F)N2CCCC2)cc1 ZINC000009127864 569505271 /nfs/dbraw/zinc/50/52/71/569505271.db2.gz XNPNLOSGCOACJC-FQEVSTJZSA-N 0 3 446.473 4.017 50 0 IIAAHN CCOc1ccc(CNCc2cccn2-c2nnc(N3CCCCCC3)s2)cc1OC ZINC000009265795 569517436 /nfs/dbraw/zinc/51/74/36/569517436.db2.gz BWOSABSRAYURIM-UHFFFAOYSA-N 0 3 441.601 4.406 50 0 IIAAHN CN(C(=O)[C@@H]1C[C@H]1c1ccc(Br)cc1)C1CCN(CCc2ccncc2)CC1 ZINC000070038449 569529336 /nfs/dbraw/zinc/52/93/36/569529336.db2.gz OXIXMWBFDLHHNS-FCHUYYIVSA-N 0 3 442.401 4.113 50 0 IIAAHN COc1ccc(-c2c(C)nn3c2nc(C)cc3N2CCN(C3CCCCC3)CC2)cc1OC ZINC000009410730 132316137 /nfs/dbraw/zinc/31/61/37/132316137.db2.gz JVWNHCZOGIBMPC-UHFFFAOYSA-N 0 3 449.599 4.485 50 0 IIAAHN C[C@H](NC[C@H](c1cccs1)c1c[nH]c2ccccc21)C(=O)N1CC(=O)Nc2ccccc21 ZINC000009579415 132322128 /nfs/dbraw/zinc/32/21/28/132322128.db2.gz HVPMQMJDUJEFQU-LPHOPBHVSA-N 0 3 444.560 4.325 50 0 IIAAHN CC(=O)c1cccc(CN2CCC(CCC(=O)N3CCN(c4ccccc4)CC3)CC2)c1 ZINC000012449249 518421503 /nfs/dbraw/zinc/42/15/03/518421503.db2.gz SETNEMCPEDZTMK-UHFFFAOYSA-N 0 3 433.596 4.230 50 0 IIAAHN CC(C)OCCCn1cnc2sc3c(c2c1=O)CC[C@@H](NCc1cc(F)cc(F)c1)C3 ZINC000020600285 519765005 /nfs/dbraw/zinc/76/50/05/519765005.db2.gz DSHXCVUHCIYFAY-GOSISDBHSA-N 0 3 447.551 4.198 50 0 IIAAHN CCN(CC)CCn1c(=O)c2sc3nc(C)cc(COC)c3c2nc1-c1ccccc1 ZINC000012411648 520714434 /nfs/dbraw/zinc/71/44/34/520714434.db2.gz MTRPUZQKWKWEJR-UHFFFAOYSA-N 0 3 436.581 4.470 50 0 IIAAHN CCOC(=O)c1nc2onc(C)c2c(NCC2CCN(Cc3ccccc3Cl)CC2)n1 ZINC000021646348 521599776 /nfs/dbraw/zinc/59/97/76/521599776.db2.gz DSNIQZWFOMGUPL-UHFFFAOYSA-N 0 3 443.935 4.080 50 0 IIAAHN CCN1CCN(c2ccc(NC(=O)C[C@@H]3c4ccccc4C=CN3C(C)=O)cc2C)CC1 ZINC000012805908 521698410 /nfs/dbraw/zinc/69/84/10/521698410.db2.gz KAEPNLSVAKAZCD-RUZDIDTESA-N 0 3 432.568 4.040 50 0 IIAAHN CCN1CCc2c(sc3nc(Cc4ccccc4)nc(N4CCN(C(C)C)CC4)c23)C1 ZINC000035892925 521724807 /nfs/dbraw/zinc/72/48/07/521724807.db2.gz HXVGFRGYTXXWCO-UHFFFAOYSA-N 0 3 435.641 4.191 50 0 IIAAHN COc1ccc(-n2cc(CN[C@@H](CC(C)C)C(N)=O)c(-c3ccccc3Cl)n2)cc1 ZINC000012373537 523329401 /nfs/dbraw/zinc/32/94/01/523329401.db2.gz KKAXVGIOHGVONB-NRFANRHFSA-N 0 3 426.948 4.191 50 0 IIAAHN COCCN(CC1CCN(Cc2ccccc2OC)CC1)C(=O)c1ccc(F)cc1Cl ZINC000012202490 523688440 /nfs/dbraw/zinc/68/84/40/523688440.db2.gz VYAHXKOTKUTBEB-UHFFFAOYSA-N 0 3 448.966 4.489 50 0 IIAAHN COc1ccc(CCC(=O)N(C)CC2CCN(CCc3cccc(F)c3)CC2)cc1OC ZINC000012432199 523915446 /nfs/dbraw/zinc/91/54/46/523915446.db2.gz HWEPZGVBXZUQCG-UHFFFAOYSA-N 0 3 442.575 4.189 50 0 IIAAHN COc1ccc(CN2CCC[C@H](CCC(=O)NCc3ccc(OC)cc3OC)C2)cc1 ZINC000012465077 524029322 /nfs/dbraw/zinc/02/93/22/524029322.db2.gz MJPRLFSUKLTXAY-LJQANCHMSA-N 0 3 426.557 4.021 50 0 IIAAHN COc1cccc2c1OCC(CN1CCC[C@@H](N3CCN(c4ccccc4C)CC3)C1)=C2 ZINC000020472667 524235176 /nfs/dbraw/zinc/23/51/76/524235176.db2.gz HTDYHDOZAPDHPG-XMMPIXPASA-N 0 3 433.596 4.066 50 0 IIAAHN COc1ccccc1CN1CCC2(CC[C@H](CNC(=O)c3ccccc3SC)O2)CC1 ZINC000012135732 524449532 /nfs/dbraw/zinc/44/95/32/524449532.db2.gz JPOGQAHAXWRWQI-HXUWFJFHSA-N 0 3 440.609 4.361 50 0 IIAAHN Cc1cc(C)n(CCNCc2cc3ccc(F)cc3n(Cc3ccccc3Cl)c2=O)n1 ZINC000011881718 524529976 /nfs/dbraw/zinc/52/99/76/524529976.db2.gz TUVJDYFEKZXODU-UHFFFAOYSA-N 0 3 438.934 4.445 50 0 IIAAHN Cc1cc(N(C)C2CCCCC2)nc(SCc2cccc(C(=O)NCCN(C)C)c2)n1 ZINC000036029338 525026341 /nfs/dbraw/zinc/02/63/41/525026341.db2.gz GIDIRXLGDWIAME-UHFFFAOYSA-N 0 3 441.645 4.138 50 0 IIAAHN COc1ccc2nc(CCN(C)Cc3nc(-c4ccc(C(F)(F)F)cc4)no3)[nH]c2c1 ZINC000020600816 525481914 /nfs/dbraw/zinc/48/19/14/525481914.db2.gz SQIZDIKJDPYMOJ-UHFFFAOYSA-N 0 3 431.418 4.315 50 0 IIAAHN Cc1nc(N2CCC(N[C@H](Cn3cccn3)c3ccccc3)CC2)nc2ccc(F)cc12 ZINC000012160193 526964901 /nfs/dbraw/zinc/96/49/01/526964901.db2.gz VJGQOVTTWUAPIR-XMMPIXPASA-N 0 3 430.531 4.274 50 0 IIAAHN O=C(Cc1ccccc1)Nc1ccnn1C1CCN(Cc2cccc3cnccc32)CC1 ZINC000012302131 527283911 /nfs/dbraw/zinc/28/39/11/527283911.db2.gz PBTDOSQLAUHIMZ-UHFFFAOYSA-N 0 3 425.536 4.450 50 0 IIAAHN O=C(NC1CCN(Cc2ccccc2)CC1)c1cnn(-c2cccc(F)c2)c1-n1cccc1 ZINC000020980542 527530502 /nfs/dbraw/zinc/53/05/02/527530502.db2.gz WLZMJKMQTCIDOB-UHFFFAOYSA-N 0 3 443.526 4.197 50 0 IIAAHN Cc1nn(C)c2nc(C3CC3)cc(C(=O)Nc3ccc(OC[C@H]4CCCCN4C)cc3)c12 ZINC000036616648 527684069 /nfs/dbraw/zinc/68/40/69/527684069.db2.gz MYKWCCVBQMEYKI-LJQANCHMSA-N 0 3 433.556 4.270 50 0 IIAAHN COC(=O)c1sc(N2C(=O)c3oc4ccccc4c(=O)c3C2c2cccs2)nc1C ZINC000001111637 555632012 /nfs/dbraw/zinc/63/20/12/555632012.db2.gz MDSJSNCABOJXGM-OAHLLOKOSA-N 0 3 438.486 4.156 50 0 IIAAHN CCN(CC)CCN1C(=O)c2oc3ccccc3c(=O)c2[C@H]1c1ccc(OC(C)C)cc1 ZINC000002377951 555774058 /nfs/dbraw/zinc/77/40/58/555774058.db2.gz QOQSEGKVNVFJDH-HSZRJFAPSA-N 0 3 434.536 4.467 50 0 IIAAHN CC(C)CC(=O)N(Cc1cccc(F)c1)c1ccc(CC(=O)NCCN2CCCC2)cc1 ZINC000034679936 555792765 /nfs/dbraw/zinc/79/27/65/555792765.db2.gz QMFCOWBAORYPHI-UHFFFAOYSA-N 0 3 439.575 4.160 50 0 IIAAHN CCc1ccc([C@H](CNC(=O)CSc2ncnc3sc(C)c(C)c32)N(C)C)cc1 ZINC000032732782 556305591 /nfs/dbraw/zinc/30/55/91/556305591.db2.gz YIEJVCSURXTTNF-SFHVURJKSA-N 0 3 428.627 4.382 50 0 IIAAHN C[C@H](c1ccncn1)N(C)C(=O)c1ccc(OC2CCN(CCc3ccccc3)CC2)cc1 ZINC000011839025 556363843 /nfs/dbraw/zinc/36/38/43/556363843.db2.gz RLQVYTJLNGVFPA-OAQYLSRUSA-N 0 3 444.579 4.396 50 0 IIAAHN O=C(CC[C@H]1CCCN(CCCC(F)(F)F)C1)N1CCN(Cc2ccccc2)CC1 ZINC000011874441 556370539 /nfs/dbraw/zinc/37/05/39/556370539.db2.gz JTUCQPXOAUHTQE-OAQYLSRUSA-N 0 3 425.539 4.166 50 0 IIAAHN COc1ccc(C(=O)NC2CC2)cc1OC1CCN([C@H](C)Cc2ccccc2F)CC1 ZINC000012049218 556391732 /nfs/dbraw/zinc/39/17/32/556391732.db2.gz FSGBZIBPXNYPOQ-QGZVFWFLSA-N 0 3 426.532 4.201 50 0 IIAAHN Cc1nn(Cc2c(Cl)cccc2Cl)c(Cl)c1CNCCCN1CCCC1=O ZINC000014239982 556400887 /nfs/dbraw/zinc/40/08/87/556400887.db2.gz WBVPCKUBFURBJI-UHFFFAOYSA-N 0 3 429.779 4.302 50 0 IIAAHN COc1cc2c(cc1OC)CN(C(=O)NC[C@@H](c1cccs1)N1CCC(C)CC1)CC2 ZINC000032843802 556428956 /nfs/dbraw/zinc/42/89/56/556428956.db2.gz MBFIXGXTYQZPTK-FQEVSTJZSA-N 0 3 443.613 4.306 50 0 IIAAHN COc1ccc(CCN2C(=O)N(CC(C)C)C(=O)C23CCN(Cc2ccccc2)CC3)cc1 ZINC000014745894 556441123 /nfs/dbraw/zinc/44/11/23/556441123.db2.gz FPWYTTVTKOXQCA-UHFFFAOYSA-N 0 3 449.595 4.193 50 0 IIAAHN CC1CCN([C@H](CNC(=O)COc2ccc(Br)cc2)c2cccs2)CC1 ZINC000028291520 556450113 /nfs/dbraw/zinc/45/01/13/556450113.db2.gz RITFPBNAONQSNB-GOSISDBHSA-N 0 3 437.403 4.479 50 0 IIAAHN O=C(CCn1cnc2ccccc21)Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1 ZINC000030019526 556489609 /nfs/dbraw/zinc/48/96/09/556489609.db2.gz WISGQPAUKZGTSA-UHFFFAOYSA-N 0 3 439.563 4.387 50 0 IIAAHN Cc1nccn1-c1ccc(NC(=O)[C@@H]2CCCN(Cc3ccc4nsnc4c3)C2)cc1 ZINC000015063791 556491492 /nfs/dbraw/zinc/49/14/92/556491492.db2.gz JSGACFNCXINNLO-GOSISDBHSA-N 0 3 432.553 4.036 50 0 IIAAHN CCOC(=O)c1c(NC(=O)c2cc(OC)cc(OC)c2)sc2c1CC(C)(C)NC2(C)C ZINC000015962388 556569350 /nfs/dbraw/zinc/56/93/50/556569350.db2.gz JABFXVFSIFONLC-UHFFFAOYSA-N 0 3 446.569 4.354 50 0 IIAAHN CCOC(=O)C1([C@@H](C)NCc2ccc3c(n2)CCCC3)CCN(C(=O)OC(C)(C)C)CC1 ZINC000252482024 556689837 /nfs/dbraw/zinc/68/98/37/556689837.db2.gz CWVRVKPSRANLMI-GOSISDBHSA-N 0 3 445.604 4.019 50 0 IIAAHN O=C(CC[C@H]1CCCN(Cc2ccc(Cl)cc2)C1)N1CCN(c2ccccn2)CC1 ZINC000019229176 556717852 /nfs/dbraw/zinc/71/78/52/556717852.db2.gz ASGOESCRDRVRRQ-HXUWFJFHSA-N 0 3 426.992 4.076 50 0 IIAAHN O=C(CC[C@@H]1CCCN(Cc2ccc(Cl)cc2)C1)N1CCN(c2ccccn2)CC1 ZINC000019229175 556717890 /nfs/dbraw/zinc/71/78/90/556717890.db2.gz ASGOESCRDRVRRQ-FQEVSTJZSA-N 0 3 426.992 4.076 50 0 IIAAHN O=C(Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1)[C@H]1COc2ccccc2C1 ZINC000058170337 556768017 /nfs/dbraw/zinc/76/80/17/556768017.db2.gz NFZBXAMTRRDAON-HSZRJFAPSA-N 0 3 427.548 4.199 50 0 IIAAHN C[C@@H]1CN(CC2CCN(C(=O)c3cc(-c4ccco4)nc4ccccc43)CC2)C[C@H](C)O1 ZINC000058342814 556782132 /nfs/dbraw/zinc/78/21/32/556782132.db2.gz YNHGJBWDMJFRPQ-KDURUIRLSA-N 0 3 433.552 4.456 50 0 IIAAHN CN(C)CCN(CCc1ccccc1)C(=O)Nc1ccc(C(=O)N2CCCCCC2)cc1 ZINC000058440110 556788982 /nfs/dbraw/zinc/78/89/82/556788982.db2.gz WWADIFZLENVUMA-UHFFFAOYSA-N 0 3 436.600 4.341 50 0 IIAAHN Cc1ccc(CN2CCC(CNC(=O)[C@@H]3CCCN(c4nc5ccccc5[nH]4)C3)CC2)cc1 ZINC000033071832 556852058 /nfs/dbraw/zinc/85/20/58/556852058.db2.gz BFODXPIHEMQRPR-HSZRJFAPSA-N 0 3 445.611 4.116 50 0 IIAAHN O=C(CC1C(=O)N(C2CCCCC2)c2nc3ccccc3n21)Nc1ccc2c(c1)OCCO2 ZINC000019817435 556920264 /nfs/dbraw/zinc/92/02/64/556920264.db2.gz DOSJBHGIXVDNCC-HXUWFJFHSA-N 0 3 446.507 4.057 50 0 IIAAHN COc1ccc(-n2nnnc2C2(NCCc3c(C)[nH]c4ccccc43)CCCCC2)cc1 ZINC000019848383 556930112 /nfs/dbraw/zinc/93/01/12/556930112.db2.gz NTEBSTTVOUOJDR-UHFFFAOYSA-N 0 3 430.556 4.452 50 0 IIAAHN O=C(COc1ccc2ccccc2c1)N1CCN(C2CCN(Cc3ccccc3)CC2)CC1 ZINC000020065954 556978108 /nfs/dbraw/zinc/97/81/08/556978108.db2.gz FZFFIWHRMIKOQW-UHFFFAOYSA-N 0 3 443.591 4.027 50 0 IIAAHN COc1cc(CNCCN2CCOCC2)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000020228371 557001376 /nfs/dbraw/zinc/00/13/76/557001376.db2.gz HMIAMCWGELVPKY-UHFFFAOYSA-N 0 3 425.356 4.003 50 0 IIAAHN Cc1cccc(-n2cc(CN3CCC[C@@H](c4nncn4C)C3)c(-c3cccc(F)c3)n2)c1 ZINC000020233827 557002037 /nfs/dbraw/zinc/00/20/37/557002037.db2.gz VVVKUNWFEDGICD-HXUWFJFHSA-N 0 3 430.531 4.495 50 0 IIAAHN O=C(c1ccc(-c2nccnc2N2CCCCC2)cc1)N1CCN(C2CCCCC2)CC1 ZINC000033313142 557098273 /nfs/dbraw/zinc/09/82/73/557098273.db2.gz XOQZBRMEXDLJSR-UHFFFAOYSA-N 0 3 433.600 4.224 50 0 IIAAHN COc1ccc([C@@H](NCC(=O)N(CC(=O)Nc2ccccc2)Cc2ccco2)C(C)C)cc1 ZINC000049590375 557116987 /nfs/dbraw/zinc/11/69/87/557116987.db2.gz NQZKFPQZOFVRRU-SANMLTNESA-N 0 3 449.551 4.242 50 0 IIAAHN O=C(N[C@@H](C(=O)NC1CCN(Cc2ccccc2)CC1)c1ccccc1)c1cccs1 ZINC000025527752 557213071 /nfs/dbraw/zinc/21/30/71/557213071.db2.gz VNAUQCVWSDUZQP-HSZRJFAPSA-N 0 3 433.577 4.000 50 0 IIAAHN COc1cccc([C@@H]2[C@H]3C(=O)N(c4cccc(Cl)c4)C(=O)C3ON2c2ccccc2)c1 ZINC000018061130 557233885 /nfs/dbraw/zinc/23/38/85/557233885.db2.gz FSPQQKSLNXBBCG-VSKRKVRLSA-N 0 3 434.879 4.400 50 0 IIAAHN CCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(F)cc4)[C@H]3C2=O)cc1 ZINC000100602920 557265726 /nfs/dbraw/zinc/26/57/26/557265726.db2.gz CLDHLEJEAVKJKI-VJBWXMMDSA-N 0 3 432.451 4.276 50 0 IIAAHN CCN(CC)[C@@H](CNC(=O)/C=C/c1ccc(N2CCCC2=O)cc1)c1cccc(OC)c1 ZINC000032902754 557317037 /nfs/dbraw/zinc/31/70/37/557317037.db2.gz FTOMYIIHWHUTTF-LXGWOEDASA-N 0 3 435.568 4.035 50 0 IIAAHN Cc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc(O)cc4)[C@@H]3C2=O)cc1Cl ZINC000102707147 557366885 /nfs/dbraw/zinc/36/68/85/557366885.db2.gz KIOTYXJJIYNXKL-BHDDXSALSA-N 0 3 434.879 4.405 50 0 IIAAHN CCc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc(O)c(OC)c4)[C@@H]3C2=O)cc1 ZINC000102711493 557373629 /nfs/dbraw/zinc/37/36/29/557373629.db2.gz UNADECRQZGYGGY-RBZQAINGSA-N 0 3 444.487 4.014 50 0 IIAAHN COc1ccc(NC(=O)N[C@H](C)c2c3c(sc2-n2cccc2)CN(C)CC3)c(OC)c1 ZINC000008590200 562951542 /nfs/dbraw/zinc/95/15/42/562951542.db2.gz PDKKKGNFXKGJLJ-OAHLLOKOSA-N 0 3 440.569 4.427 50 0 IIAAHN O=C(C1COc2ccccc2O1)N(Cc1cccnc1)c1nc2c(cc(F)cc2F)s1 ZINC000008601619 562955495 /nfs/dbraw/zinc/95/54/95/562955495.db2.gz ZKNQGHWGERWGLJ-GOSISDBHSA-N 0 3 439.443 4.343 50 0 IIAAHN Cc1cc(CN(C)C(=O)c2ccc(OC3CCN(CCc4ccccc4)CC3)cc2)on1 ZINC000012299482 562981072 /nfs/dbraw/zinc/98/10/72/562981072.db2.gz IBKZRODZYWFGIB-UHFFFAOYSA-N 0 3 433.552 4.341 50 0 IIAAHN FC(F)(F)c1cccc(N2CCN([C@@H]3CCCN(Cc4cccc5c4OCO5)C3)CC2)c1 ZINC000023374162 568613895 /nfs/dbraw/zinc/61/38/95/568613895.db2.gz LDBZFFJBIMVVAT-OAQYLSRUSA-N 0 3 447.501 4.221 50 0 IIAAHN Cc1ccc2c(c1)[C@H]1CN(C)CC[C@H]1N2C(=O)COc1ccc(N(C)C(=O)C(C)(C)C)cc1 ZINC000104054484 568622299 /nfs/dbraw/zinc/62/22/99/568622299.db2.gz KQAFMCZKNKXFKS-ISKFKSNPSA-N 0 3 449.595 4.217 50 0 IIAAHN CCOC(=O)c1c(C)oc2ncnc(NCC3CCN(Cc4ccccc4F)CC3)c21 ZINC000015727298 568812290 /nfs/dbraw/zinc/81/22/90/568812290.db2.gz YQTAOGDWLSWODS-UHFFFAOYSA-N 0 3 426.492 4.171 50 0 IIAAHN Cc1oc2ncnc(N3CCCCC3)c2c1C(=O)NCCN(Cc1ccccc1)C(C)C ZINC000015727618 568812707 /nfs/dbraw/zinc/81/27/07/568812707.db2.gz FZNIAVLEMSTKQE-UHFFFAOYSA-N 0 3 435.572 4.162 50 0 IIAAHN C[C@H](NCC(=O)Nc1cc(C(F)(F)F)ccc1-n1cncn1)c1ccc2c(c1)CCCC2 ZINC000012942990 568870278 /nfs/dbraw/zinc/87/02/78/568870278.db2.gz DUIMQGOMEYKVQL-HNNXBMFYSA-N 0 3 443.473 4.454 50 0 IIAAHN COc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(Cl)cc4)[C@@H]3C2=O)cc1 ZINC000138572513 568909062 /nfs/dbraw/zinc/90/90/62/568909062.db2.gz FOSNTVDHSDNFAX-FDFHNCONSA-N 0 3 434.879 4.400 50 0 IIAAHN COc1cccc(N2C(=O)C3ON(c4ccc(Cl)cc4)[C@H](c4cccs4)[C@H]3C2=O)c1 ZINC000238950621 568910464 /nfs/dbraw/zinc/91/04/64/568910464.db2.gz ZAYSVDYPHSILKN-VAMGGRTRSA-N 0 3 440.908 4.461 50 0 IIAAHN C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1N(C)C(=O)c1cnc2c(F)cc(F)cc2c1[O-] ZINC000240278288 568911979 /nfs/dbraw/zinc/91/19/79/568911979.db2.gz DQAUQTUIKBZMFW-MICWEPACSA-N 0 3 439.506 4.447 50 0 IIAAHN C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1N(C)C(=O)c1cnc2c(F)cc(F)cc2c1[O-] ZINC000240278288 568911980 /nfs/dbraw/zinc/91/19/80/568911980.db2.gz DQAUQTUIKBZMFW-MICWEPACSA-N 0 3 439.506 4.447 50 0 IIAAHN CCOc1ccc(NC(=O)N(Cc2ccc3c(c2)OCO3)C2CCN(CC)CC2)cc1 ZINC000006877628 569096062 /nfs/dbraw/zinc/09/60/62/569096062.db2.gz KMDUGMDDTMGGLU-UHFFFAOYSA-N 0 3 425.529 4.332 50 0 IIAAHN CCOC(=O)c1c(C)oc2nc(C)nc(NCCN(Cc3ccco3)C3CCCC3)c21 ZINC000007001335 569117549 /nfs/dbraw/zinc/11/75/49/569117549.db2.gz NOLVBGMNMOABHG-UHFFFAOYSA-N 0 3 426.517 4.466 50 0 IIAAHN CC[C@@](C)(COc1ncccc1Cl)NCC(=O)N(C)Cc1ccc(OC(F)F)cc1 ZINC000089942104 569168364 /nfs/dbraw/zinc/16/83/64/569168364.db2.gz PRJJZHVXURKMFF-NRFANRHFSA-N 0 3 441.906 4.132 50 0 IIAAHN O=C(NCCc1ccccc1)c1nnc(-c2ccc(CN3CCc4ccccc4C3)cc2)o1 ZINC000013364282 569314208 /nfs/dbraw/zinc/31/42/08/569314208.db2.gz WAJOCMBHIRPAHW-UHFFFAOYSA-N 0 3 438.531 4.267 50 0 IIAAHN CN(CCCN(C)C(=O)c1cnn(-c2ccc(F)cc2)c1C(F)(F)F)Cc1ccncc1 ZINC000328591880 569317119 /nfs/dbraw/zinc/31/71/19/569317119.db2.gz FQUZMGWCIQAYAS-UHFFFAOYSA-N 0 3 449.452 4.019 50 0 IIAAHN COc1ccc2[nH]c3c(c2c1)CCN[C@H]3c1ccc(OC)c(Cn2nnc3ccccc32)c1 ZINC000020112102 569334681 /nfs/dbraw/zinc/33/46/81/569334681.db2.gz ZMGLOVRSGSCIJP-VWLOTQADSA-N 0 3 439.519 4.213 50 0 biogenic IIAAHN Cc1ccc(/C=C2/Sc3ccccc3N(CC(=O)NCCN3CCCCCC3)C2=O)cc1 ZINC000020181287 569355327 /nfs/dbraw/zinc/35/53/27/569355327.db2.gz MCXSCEVVXGSJNO-HKOYGPOVSA-N 0 3 449.620 4.467 50 0 IIAAHN CC(C)N(Cc1ccc(NC(=O)NC[C@@](C)(O)c2ccco2)cc1)C[C@@H]1CCCCO1 ZINC000095460787 569369762 /nfs/dbraw/zinc/36/97/62/569369762.db2.gz FLAHRBOCEODRJK-XUZZJYLKSA-N 0 3 429.561 4.088 50 0 IIAAHN CCOc1ccc([C@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2CCCN(C)C)cc1 ZINC000002890304 569424468 /nfs/dbraw/zinc/42/44/68/569424468.db2.gz SESKXXDFLWWVSS-NRFANRHFSA-N 0 3 440.927 4.342 50 0 IIAAHN Cc1oc2cc3oc(=O)c(CCC(=O)NCCN(C)C)c(C)c3cc2c1-c1ccccc1 ZINC000008880047 569481408 /nfs/dbraw/zinc/48/14/08/569481408.db2.gz JDBYABKDSRYFIR-UHFFFAOYSA-N 0 3 432.520 4.433 50 0 biogenic IIAAHN CN(C)CCN(Cc1ccccc1)C(=O)c1csc(NC(=O)c2cccc(Cl)c2)n1 ZINC000040355236 569499738 /nfs/dbraw/zinc/49/97/38/569499738.db2.gz MALRBVDUOSGEOD-UHFFFAOYSA-N 0 3 442.972 4.253 50 0 IIAAHN Cc1cccc([S@@](=O)Cc2ccc(C(=O)NCCCN3CCc4ccccc4C3)o2)c1 ZINC000009115384 569502715 /nfs/dbraw/zinc/50/27/15/569502715.db2.gz JMPFECKJUPEYRC-WJOKGBTCSA-N 0 3 436.577 4.074 50 0 IIAAHN Cc1cc2oc3c(c(=O)c2cc1Cl)[C@@H](c1ccccc1F)N(CCCN(C)C)C3=O ZINC000009328236 569522849 /nfs/dbraw/zinc/52/28/49/569522849.db2.gz JGGWKCSKEDGHRA-HXUWFJFHSA-N 0 3 428.891 4.391 50 0 IIAAHN CC(C)Sc1nc2sc3c(c2c2nnc(SCCN(C)C)n21)CC(C)(C)OC3 ZINC000009345467 569524129 /nfs/dbraw/zinc/52/41/29/569524129.db2.gz FIZXFAUKECMFNF-UHFFFAOYSA-N 0 3 437.660 4.345 50 0 IIAAHN CCN(CC)CCN1C(=O)c2oc3cc(OC)ccc3c(=O)c2[C@H]1c1cccc(Cl)c1 ZINC000010233206 569579499 /nfs/dbraw/zinc/57/94/99/569579499.db2.gz WDAADANJQZIPLP-OAQYLSRUSA-N 0 3 440.927 4.342 50 0 IIAAHN CC(C)NC(=O)N1CCC[C@H](c2cccc(C(=O)N3CCN(C4CCCCC4)CC3)c2)C1 ZINC000033264334 569587403 /nfs/dbraw/zinc/58/74/03/569587403.db2.gz QVWLTOSPCAWXPA-QHCPKHFHSA-N 0 3 440.632 4.075 50 0 IIAAHN CC(C)[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000013048991 519820018 /nfs/dbraw/zinc/82/00/18/519820018.db2.gz UNNCITIJUFOXEZ-NQIIRXRSSA-N 0 3 448.394 4.139 50 0 IIAAHN CCN(C[C@@H]1CCCN(CCc2cccc(OC)c2)C1)C(=O)c1cc(CC(C)C)on1 ZINC000012572313 521220329 /nfs/dbraw/zinc/22/03/29/521220329.db2.gz CSTKXBLNEASBAR-OAQYLSRUSA-N 0 3 427.589 4.299 50 0 IIAAHN CCN(C[C@@H]1CCCN(CCc2cccc(OC)c2)C1)C(=O)c1n[nH]c2ccc(C)cc21 ZINC000012444610 521220490 /nfs/dbraw/zinc/22/04/90/521220490.db2.gz WRLDCXBFMFNRKW-OAQYLSRUSA-N 0 3 434.584 4.297 50 0 IIAAHN CCOC(=O)[C@]1(Cc2cccc(OC)c2)CCCN(Cc2cccn2-c2nccs2)C1 ZINC000012579588 521356688 /nfs/dbraw/zinc/35/66/88/521356688.db2.gz MAZPNMZUYFHQQM-DEOSSOPVSA-N 0 3 439.581 4.330 50 0 IIAAHN CCCc1nc2c(cnn2-c2ccccc2)c(N2CCCN(Cc3ccccc3)CC2)n1 ZINC000035925682 521541099 /nfs/dbraw/zinc/54/10/99/521541099.db2.gz FYGPRIAHEMLHBE-UHFFFAOYSA-N 0 3 426.568 4.480 50 0 IIAAHN CCOC(=O)c1noc2nc(C)nc(NCC3CCN(Cc4cccc(Cl)c4)CC3)c21 ZINC000021539149 521606918 /nfs/dbraw/zinc/60/69/18/521606918.db2.gz YPPWEGNZYYDJOG-UHFFFAOYSA-N 0 3 443.935 4.080 50 0 IIAAHN CCN1CCN(c2ccc(NC(=O)C[C@H]3c4ccccc4C=CN3C(C)=O)cc2C)CC1 ZINC000012805901 521698475 /nfs/dbraw/zinc/69/84/75/521698475.db2.gz KAEPNLSVAKAZCD-VWLOTQADSA-N 0 3 432.568 4.040 50 0 IIAAHN CN(C)CCNC(=O)/C(=C\c1ccc(-c2ccc(Cl)cc2)o1)NC(=O)c1ccccc1 ZINC000012923184 521774086 /nfs/dbraw/zinc/77/40/86/521774086.db2.gz WDIVNGNSTQACEP-LTGZKZEYSA-N 0 3 437.927 4.049 50 0 IIAAHN COc1ccc(-n2cc(CNCCSc3nc[nH]n3)c(-c3ccccc3Cl)n2)cc1 ZINC000012090297 523328153 /nfs/dbraw/zinc/32/81/53/523328153.db2.gz HQAPZTLJIBJQKT-UHFFFAOYSA-N 0 3 440.960 4.201 50 0 IIAAHN CCn1nc(C)c(CN2CCC[C@@H](N3CCN(c4cccc(C(F)(F)F)c4)CC3)C2)c1C ZINC000020906333 523640457 /nfs/dbraw/zinc/64/04/57/523640457.db2.gz RVZLDVHIPVOFGG-JOCHJYFZSA-N 0 3 449.565 4.325 50 0 IIAAHN COc1cccc2c1OCC(CN1CCC[C@@H](C(=O)Nc3cccc(-n4cccn4)c3)C1)=C2 ZINC000012764390 524234844 /nfs/dbraw/zinc/23/48/44/524234844.db2.gz LMEIHWVCYYNHBX-OAQYLSRUSA-N 0 3 444.535 4.007 50 0 IIAAHN Cc1ccc(CN2CCC[C@H](CCC(=O)N3CCN(Cc4ccccc4)CC3)C2)s1 ZINC000020452288 524448226 /nfs/dbraw/zinc/44/82/26/524448226.db2.gz WORNQRHTIKXJKP-HSZRJFAPSA-N 0 3 425.642 4.393 50 0 IIAAHN C[C@H](Cc1cccnc1)N1CCC(Oc2cccc(C(=O)NCc3ccccc3)c2)CC1 ZINC000012434463 524743106 /nfs/dbraw/zinc/74/31/06/524743106.db2.gz LKYIFFHYRIKFMU-OAQYLSRUSA-N 0 3 429.564 4.486 50 0 IIAAHN Cc1ccccc1-c1cccc(CN2CCC(n3cc(C(=O)N4CCCC4)nn3)CC2)c1 ZINC000012191419 525007277 /nfs/dbraw/zinc/00/72/77/525007277.db2.gz BETWHJWNLFYMRL-UHFFFAOYSA-N 0 3 429.568 4.327 50 0 IIAAHN Cc1ccccc1N1CCN([C@@H]2CCCN(Cc3cn(C)nc3-c3ccccc3)C2)CC1 ZINC000022914449 525223118 /nfs/dbraw/zinc/22/31/18/525223118.db2.gz ZYRPWXBTRASGAR-RUZDIDTESA-N 0 3 429.612 4.182 50 0 IIAAHN Cc1ccc(-c2cc(C(F)(F)F)n3ncc(C(=O)OC[C@H]4CCCCN4C)c3n2)cc1 ZINC000021789074 525731924 /nfs/dbraw/zinc/73/19/24/525731924.db2.gz WHNDBNVHEBJKAL-MRXNPFEDSA-N 0 3 432.446 4.365 50 0 IIAAHN C[C@H](c1ccc(-n2cncn2)cc1)N(C)C[C@H](O)COc1ccc(-c2ccccc2)cc1 ZINC000036033827 526040228 /nfs/dbraw/zinc/04/02/28/526040228.db2.gz CYLQRASCHMCPPP-NLFFAJNJSA-N 0 3 428.536 4.367 50 0 IIAAHN Cc1ccc(C(=O)N(CCN(C)C)C[C@H]2CCCN(Cc3ccccc3F)C2)cc1C ZINC000012711765 526072781 /nfs/dbraw/zinc/07/27/81/526072781.db2.gz BOEYOXIHYMPAFX-QFIPXVFZSA-N 0 3 425.592 4.359 50 0 IIAAHN Cc1cc(C(=O)N(C)[C@H](Cc2ccccc2)C2CCN(Cc3cccc(F)c3)CC2)n(C)n1 ZINC000012129996 526227584 /nfs/dbraw/zinc/22/75/84/526227584.db2.gz HCALXJOOWWYLQT-RUZDIDTESA-N 0 3 448.586 4.463 50 0 IIAAHN O=C(C1CCCC1)N1C[C@@H](CN2CCN(c3ccc(F)cc3)CC2)[C@H](c2ccccc2)C1 ZINC000034697678 526297480 /nfs/dbraw/zinc/29/74/80/526297480.db2.gz OXNOJVNGVJYKQR-BVAGGSTKSA-N 0 3 435.587 4.380 50 0 IIAAHN Cc1nc(CCNCc2c(C(=O)N(C)Cc3ccccc3)nc3ccccn32)sc1C ZINC000020782438 526826863 /nfs/dbraw/zinc/82/68/63/526826863.db2.gz CTRRAJBSDXERFT-UHFFFAOYSA-N 0 3 433.581 4.012 50 0 IIAAHN Cc1nccn1CCCNCc1c(C(=O)N2CCCCCCC2)nc2ccc(Cl)cn21 ZINC000012445355 527420811 /nfs/dbraw/zinc/42/08/11/527420811.db2.gz LUYTVNZUKNVGRH-UHFFFAOYSA-N 0 3 442.995 4.079 50 0 IIAAHN Nc1c2c(nn1Cc1ccccc1)nc(NCCN1CCCCC1)nc2-c1ccc(F)cc1 ZINC000035929881 527437883 /nfs/dbraw/zinc/43/78/83/527437883.db2.gz CIDGQOUKRWUPGY-UHFFFAOYSA-N 0 3 445.546 4.161 50 0 IIAAHN O=C(NC1CCN(Cc2ccccc2)CC1)[C@H]1CCCC[C@@H]1C(=O)N1CCc2ccccc21 ZINC000022407053 527530168 /nfs/dbraw/zinc/53/01/68/527530168.db2.gz AODQPNYWAZRQLT-DQEYMECFSA-N 0 3 445.607 4.163 50 0 IIAAHN O=C(/C=C/c1cn(Cc2ccccc2)nc1-c1ccccc1)N1CCN(c2ccncc2)CC1 ZINC000012887680 527646398 /nfs/dbraw/zinc/64/63/98/527646398.db2.gz IUPURALVVGCBMP-VAWYXSNFSA-N 0 3 449.558 4.355 50 0 IIAAHN Cc1cccc(CN(C(=O)c2ccco2)c2ccc(CC(=O)NCCN3CCCC3)cc2)c1 ZINC000034680059 555813161 /nfs/dbraw/zinc/81/31/61/555813161.db2.gz WBCWOUZBYRZIGQ-UHFFFAOYSA-N 0 3 445.563 4.190 50 0 IIAAHN O=C(Nc1ccc(N2CCCN(Cc3cccs3)CC2)nc1)c1cc(F)cc(F)c1 ZINC000034681925 555815735 /nfs/dbraw/zinc/81/57/35/555815735.db2.gz YDUFUNQCAQZALR-UHFFFAOYSA-N 0 3 428.508 4.386 50 0 IIAAHN COc1cc(C(=O)N(CCc2ccccc2)C2=C[C@H]3CC[C@@H](C2)N3C)cc(OC)c1OC ZINC000004257203 555979400 /nfs/dbraw/zinc/97/94/00/555979400.db2.gz JSBSWTSUJPJWAN-RTWAWAEBSA-N 0 3 436.552 4.148 50 0 IIAAHN CCOc1cccc([C@H]2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2CCCN(C)C)c1 ZINC000002704249 556123553 /nfs/dbraw/zinc/12/35/53/556123553.db2.gz QXNAVMIBCPMVEE-QHCPKHFHSA-N 0 3 434.536 4.305 50 0 IIAAHN COc1ccc(/C=C/c2nc(-c3ccccc3O)n(CCN3CCCCC3)n2)cc1OC ZINC000008742727 556207670 /nfs/dbraw/zinc/20/76/70/556207670.db2.gz PUQXAOTZGXKESZ-ACCUITESSA-N 0 3 434.540 4.324 50 0 IIAAHN Cc1oc(-c2cccs2)nc1CN1CCC[C@H](CNC(=O)c2n[nH]c3ccccc32)C1 ZINC000011662696 556344005 /nfs/dbraw/zinc/34/40/05/556344005.db2.gz ROKIMKNFDNEECF-MRXNPFEDSA-N 0 3 435.553 4.230 50 0 IIAAHN COc1ccccc1-c1cc(C(=O)N(C)[C@H]2CCCN(CCCc3ccccc3)C2)[nH]n1 ZINC000011819276 556361481 /nfs/dbraw/zinc/36/14/81/556361481.db2.gz GCZVFIPZEJTYAZ-NRFANRHFSA-N 0 3 432.568 4.255 50 0 IIAAHN CN(Cc1ccccc1)C(=O)c1nc2ccccn2c1CN[C@H](Cn1ccnc1)C(C)(C)C ZINC000011820049 556361981 /nfs/dbraw/zinc/36/19/81/556361981.db2.gz YDZMSTIJFIUXGJ-JOCHJYFZSA-N 0 3 444.583 4.008 50 0 IIAAHN C[C@@H](c1ccncn1)N(C)C(=O)c1ccc(OC2CCN(CCc3ccccc3)CC2)cc1 ZINC000011839027 556363905 /nfs/dbraw/zinc/36/39/05/556363905.db2.gz RLQVYTJLNGVFPA-NRFANRHFSA-N 0 3 444.579 4.396 50 0 IIAAHN COc1cc(OC)c(OC)cc1CN(C)C[C@H]1CCCN(CCc2ccccc2F)C1 ZINC000011843240 556366277 /nfs/dbraw/zinc/36/62/77/556366277.db2.gz OKCRNVPJYIMWSF-LJQANCHMSA-N 0 3 430.564 4.238 50 0 IIAAHN COc1cccc(CCNC(=O)[C@@H]2CC23CCN(Cc2ccc4ncccc4c2)CC3)c1 ZINC000011912470 556375599 /nfs/dbraw/zinc/37/55/99/556375599.db2.gz IUIDGFXDJCQHEM-DEOSSOPVSA-N 0 3 429.564 4.204 50 0 IIAAHN COc1cccc(-c2nn(-c3ccccc3)cc2CN2CCC[C@@H](CN3CCCC3=O)C2)c1 ZINC000011955776 556380636 /nfs/dbraw/zinc/38/06/36/556380636.db2.gz VNDCFUXOEGBJQM-OAQYLSRUSA-N 0 3 444.579 4.382 50 0 IIAAHN CCN(CC)CC(=O)N1CCC(C(=O)Nc2ccc(-c3nc4ccccc4o3)cc2)CC1 ZINC000011954699 556380651 /nfs/dbraw/zinc/38/06/51/556380651.db2.gz TWYVKMXHMNYDKZ-UHFFFAOYSA-N 0 3 434.540 4.014 50 0 IIAAHN CC(C)[C@@H](NC(=O)c1ccoc1)c1nnc2n1CCN(Cc1cc3ccccc3s1)CC2 ZINC000011974937 556383234 /nfs/dbraw/zinc/38/32/34/556383234.db2.gz ZXBNHZAWOPHENP-JOCHJYFZSA-N 0 3 449.580 4.271 50 0 IIAAHN COc1ccccc1/C=C/CN1CCC2(C[C@@H]2C(=O)NCCc2ccccc2OC)CC1 ZINC000012040994 556391114 /nfs/dbraw/zinc/39/11/14/556391114.db2.gz YOZSDIKRXKXMQK-BWAMLYQTSA-N 0 3 434.580 4.178 50 0 IIAAHN COc1cccc(NC(=O)CC2C(=O)N(CCc3ccccc3)c3nc4ccccc4n32)c1 ZINC000032581144 556404813 /nfs/dbraw/zinc/40/48/13/556404813.db2.gz RFBWZLXOMQEJLZ-QHCPKHFHSA-N 0 3 440.503 4.204 50 0 IIAAHN CCCCOc1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCCN(C)C)cc1 ZINC000032622761 556409910 /nfs/dbraw/zinc/40/99/10/556409910.db2.gz JNJYXJIYALXMPZ-HSZRJFAPSA-N 0 3 434.536 4.469 50 0 IIAAHN CCCCOc1cccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCCN(C)C)c1 ZINC000032622842 556410238 /nfs/dbraw/zinc/41/02/38/556410238.db2.gz GHEZKYORDYMFOK-HSZRJFAPSA-N 0 3 434.536 4.469 50 0 IIAAHN COc1ccc(-n2ncc3c2CC(C)(C)C[C@H]3NCc2ccc(N3CCNC3=O)cc2)cc1 ZINC000014967901 556466096 /nfs/dbraw/zinc/46/60/96/556466096.db2.gz SBZKHGSOHIVORA-HSZRJFAPSA-N 0 3 445.567 4.214 50 0 IIAAHN CCOc1c(Br)cc(CNC[C@H](O)c2ccc(OC(C)C)cc2)cc1OC ZINC000072286598 556477978 /nfs/dbraw/zinc/47/79/78/556477978.db2.gz LEHLGJMLCSEGDB-IBGZPJMESA-N 0 3 438.362 4.467 50 0 IIAAHN CC[C@H](C)[C@H](NC(=O)OCc1ccccc1)C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000013523498 556512455 /nfs/dbraw/zinc/51/24/55/556512455.db2.gz JWTQCVWAAYGGOM-RDPSFJRHSA-N 0 3 437.584 4.108 50 0 IIAAHN COc1cc(CNCCCN2CCOCC2)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000013566317 556519092 /nfs/dbraw/zinc/51/90/92/556519092.db2.gz WZJFPYULLXBPLM-UHFFFAOYSA-N 0 3 439.383 4.393 50 0 IIAAHN Cc1c(C(=O)NC[C@H](c2ccccc2)N2CCCC2)cnn1-c1ccc(C(F)(F)F)cn1 ZINC000032902460 556536082 /nfs/dbraw/zinc/53/60/82/556536082.db2.gz MHLIFQLHTYIRMD-HXUWFJFHSA-N 0 3 443.473 4.161 50 0 IIAAHN O=C(c1ccc(SCCN2CCCCC2)nc1)N1CCN(c2cccc(Cl)c2)CC1 ZINC000033115222 556554640 /nfs/dbraw/zinc/55/46/40/556554640.db2.gz AGYURZRMFFPJMH-UHFFFAOYSA-N 0 3 445.032 4.275 50 0 IIAAHN Cc1cc(N2CCN(S(=O)(=O)c3ccc(Cl)c(Cl)c3)CC2)c2ccccc2n1 ZINC000018265172 556688864 /nfs/dbraw/zinc/68/88/64/556688864.db2.gz ZTRKDZCGXASXFH-UHFFFAOYSA-N 0 3 436.364 4.361 50 0 IIAAHN O[C@H](Cn1c2ccccc2c2ccccc21)CN1CCN(C/C=C/c2ccccc2)CC1 ZINC000019313123 556735635 /nfs/dbraw/zinc/73/56/35/556735635.db2.gz IFHXPTNRJZKDAL-DDVUFSRBSA-N 0 3 425.576 4.486 50 0 IIAAHN C[C@H](Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1)C(=O)N(C)Cc1ccccc1 ZINC000058160796 556764878 /nfs/dbraw/zinc/76/48/78/556764878.db2.gz JOHYHDYJIDOQJJ-QHCPKHFHSA-N 0 3 442.607 4.468 50 0 IIAAHN Cc1ccc([C@H](CNC(=O)C[C@@H](NC(=O)c2ccccc2)c2ccccc2)N(C)C)cc1 ZINC000060156007 556806907 /nfs/dbraw/zinc/80/69/07/556806907.db2.gz JLUVLYPUSBXQCS-RPBOFIJWSA-N 0 3 429.564 4.275 50 0 IIAAHN CCC(=O)OC1(c2ccccc2)CCN(CC[C@@H]2CN(Cc3ccccc3)C(=O)O2)CC1 ZINC000071769271 556887813 /nfs/dbraw/zinc/88/78/13/556887813.db2.gz ORNVVZWQMWJHLG-HSZRJFAPSA-N 0 3 436.552 4.342 50 0 IIAAHN O=C(CC1C(=O)N(C2CCCCC2)c2nc3ccccc3n21)Nc1ccc2c(c1)OCCO2 ZINC000019817437 556920157 /nfs/dbraw/zinc/92/01/57/556920157.db2.gz DOSJBHGIXVDNCC-FQEVSTJZSA-N 0 3 446.507 4.057 50 0 IIAAHN O=C(CC1C(=O)N(Cc2ccccn2)c2nc3ccccc3n21)Nc1ccc(Cl)cc1 ZINC000019817660 556920572 /nfs/dbraw/zinc/92/05/72/556920572.db2.gz WASWOZSFAFXYNA-FQEVSTJZSA-N 0 3 431.883 4.201 50 0 IIAAHN COc1ccc(CCNC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)cc1OC ZINC000019913231 556943631 /nfs/dbraw/zinc/94/36/31/556943631.db2.gz WNHFEHOIMQCRCH-UHFFFAOYSA-N 0 3 430.548 4.235 50 0 biogenic IIAAHN COc1ccc(CCN2C(=O)C(CC(=O)Nc3ccccc3)n3c4ccccc4nc32)cc1 ZINC000019962195 556955849 /nfs/dbraw/zinc/95/58/49/556955849.db2.gz RNTDPQDLEIVCJU-QHCPKHFHSA-N 0 3 440.503 4.204 50 0 IIAAHN CCc1ccccc1NC(=O)CC1C(=O)N(Cc2ccccn2)c2nc3ccccc3n21 ZINC000020103543 556981095 /nfs/dbraw/zinc/98/10/95/556981095.db2.gz JBYWQLVFXZOEKN-JOCHJYFZSA-N 0 3 425.492 4.110 50 0 IIAAHN CSc1ccc2cc(CNC[C@@H]3COCCO3)c(OCc3ccccc3F)nc2c1 ZINC000082039473 557056465 /nfs/dbraw/zinc/05/64/65/557056465.db2.gz WQKVPAJUWDHARW-LJQANCHMSA-N 0 3 428.529 4.180 50 0 IIAAHN Cc1ccc(Cl)cc1NC(=O)CC1C(=O)N(C[C@@H]2CCCO2)c2nc3ccccc3n21 ZINC000023382250 557089538 /nfs/dbraw/zinc/08/95/38/557089538.db2.gz PARDREORWNDVNY-OXJNMPFZSA-N 0 3 438.915 4.094 50 0 IIAAHN Cc1ccc(NC(=O)CC2C(=O)N(C[C@H]3CCCO3)c3nc4ccccc4n32)c(Cl)c1 ZINC000023382288 557089547 /nfs/dbraw/zinc/08/95/47/557089547.db2.gz PWLNDPWHOUZPKF-FOIQADDNSA-N 0 3 438.915 4.094 50 0 IIAAHN Cc1ccc(NC(=O)CC2C(=O)N(C[C@@H]3CCCO3)c3nc4ccccc4n32)cc1Cl ZINC000023382231 557089706 /nfs/dbraw/zinc/08/97/06/557089706.db2.gz SWQXAVPISJUWDA-JXFKEZNVSA-N 0 3 438.915 4.094 50 0 IIAAHN Cc1cc(C)cc(NC(=O)CC2C(=O)N(Cc3cccnc3)c3nc4ccccc4n32)c1 ZINC000023411338 557091254 /nfs/dbraw/zinc/09/12/54/557091254.db2.gz ZJVQRXMFMYMCCC-QFIPXVFZSA-N 0 3 425.492 4.165 50 0 IIAAHN CC[NH+](CC)[C@H](CN1CCN(C[C@H](C)C(=O)c2ccc([O-])cc2)CC1)c1ccc(F)cc1 ZINC000096316554 557198524 /nfs/dbraw/zinc/19/85/24/557198524.db2.gz OLQANDAZOREQMH-NBGIEHNGSA-N 0 3 441.591 4.051 50 0 IIAAHN C[C@H](NCCc1ccc2c(c1)OCCO2)c1nc(=O)c2c(-c3ccccc3)csc2[nH]1 ZINC000025686251 557221941 /nfs/dbraw/zinc/22/19/41/557221941.db2.gz LHFCOSXJZHHTIH-HNNXBMFYSA-N 0 3 433.533 4.316 50 0 IIAAHN CC(C)[C@H](NC(=O)Nc1ccccc1)C(=O)NC[C@@H](c1cccs1)N1CCC(C)CC1 ZINC000032983101 557319972 /nfs/dbraw/zinc/31/99/72/557319972.db2.gz QPPOJLPOHJSDFK-UNMCSNQZSA-N 0 3 442.629 4.484 50 0 IIAAHN CCCOc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(O)cc2)cc1 ZINC000102710716 557364681 /nfs/dbraw/zinc/36/46/81/557364681.db2.gz OXYHMUFBTGERQS-KMDXXIMOSA-N 0 3 444.487 4.232 50 0 IIAAHN CCCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(O)cc4)[C@@H]3C2=O)cc1 ZINC000102710716 557364683 /nfs/dbraw/zinc/36/46/83/557364683.db2.gz OXYHMUFBTGERQS-KMDXXIMOSA-N 0 3 444.487 4.232 50 0 IIAAHN COc1cccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(SC)cc4)[C@H]3C2=O)c1 ZINC000105906511 557512175 /nfs/dbraw/zinc/51/21/75/557512175.db2.gz GWDKFFDTNYDZTC-XPWALMASSA-N 0 3 446.528 4.468 50 0 IIAAHN COCc1cc(CN2CC[C@@]3(C2)CCCN(Cc2cc(OC)ccc2F)C3)ccc1OC ZINC000012072628 557527095 /nfs/dbraw/zinc/52/70/95/557527095.db2.gz ZHVHOCHPBYTTJM-SANMLTNESA-N 0 3 442.575 4.477 50 0 IIAAHN COc1cc(CN(Cc2cc(=O)n3cc(Cl)ccc3n2)CC(C)C)cc(OC)c1OC ZINC000045974147 557555991 /nfs/dbraw/zinc/55/59/91/557555991.db2.gz WPLOKTDWWFZLGO-UHFFFAOYSA-N 0 3 445.947 4.032 50 0 IIAAHN CN(Cc1ccc(Br)cc1)C[C@H](O)COc1cccc(Br)c1 ZINC000002651477 562929340 /nfs/dbraw/zinc/92/93/40/562929340.db2.gz ANGVEPFEISKGIC-INIZCTEOSA-N 0 3 429.152 4.083 50 0 IIAAHN CSc1ccccc1CN1CCC(CNS(=O)(=O)Cc2ccccc2Cl)CC1 ZINC000043959620 568744497 /nfs/dbraw/zinc/74/44/97/568744497.db2.gz UKSXMACGAWYEDZ-UHFFFAOYSA-N 0 3 439.046 4.394 50 0 IIAAHN COc1ccc(NC(=O)NCC2CCN(Cc3ccccc3SC)CC2)cc1OC ZINC000043991739 568745373 /nfs/dbraw/zinc/74/53/73/568745373.db2.gz GHFJNGLIFNHJAC-UHFFFAOYSA-N 0 3 429.586 4.459 50 0 IIAAHN CCCCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccncc4)[C@H]3C2=O)cc1 ZINC000245326013 568915021 /nfs/dbraw/zinc/91/50/21/568915021.db2.gz IOKLKWPWAMGOPM-WXFUMESZSA-N 0 3 443.503 4.312 50 0 IIAAHN COC[C@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(OC)cc1)C(C)C ZINC000036306140 568995428 /nfs/dbraw/zinc/99/54/28/568995428.db2.gz OUZHEOWKUNCFLL-HXUWFJFHSA-N 0 3 439.556 4.106 50 0 IIAAHN COc1cccc(CNC(=O)C2CCN(Cc3cn(C)c4ccc(Cl)cc34)CC2)c1 ZINC000065060069 569095851 /nfs/dbraw/zinc/09/58/51/569095851.db2.gz UILIFPLIZWUSJG-UHFFFAOYSA-N 0 3 425.960 4.369 50 0 IIAAHN C[C@H](C(=O)NC[C@@H](c1ccccc1)N1CCC(C)CC1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000170600661 569143003 /nfs/dbraw/zinc/14/30/03/569143003.db2.gz NWQBDNPULUSROZ-UGKGYDQZSA-N 0 3 429.605 4.079 50 0 IIAAHN CC1CCN([C@@H](CNC(=O)[C@H]2CCCN2C(=O)C2CCCCC2)c2cccs2)CC1 ZINC000089929953 569167868 /nfs/dbraw/zinc/16/78/68/569167868.db2.gz ZUKLWBIQPNHTTL-RTWAWAEBSA-N 0 3 431.646 4.209 50 0 IIAAHN Nc1c2c(nn1-c1ccccc1)nc(NCCN1CCCC1)nc2-c1cccc(Cl)c1 ZINC000037359575 569177699 /nfs/dbraw/zinc/17/76/99/569177699.db2.gz FVHWQKAZMJWVBO-UHFFFAOYSA-N 0 3 433.947 4.226 50 0 IIAAHN N=c1n(CCN2CCCCC2)c2ccccc2n1CC(=O)c1ccc(C(F)(F)F)cc1 ZINC000253470667 569282473 /nfs/dbraw/zinc/28/24/73/569282473.db2.gz WZZWUZRMQWVBGC-UHFFFAOYSA-N 0 3 430.474 4.310 50 0 IIAAHN CCCOc1cccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCN(CC)CC)c1 ZINC000002433907 569303394 /nfs/dbraw/zinc/30/33/94/569303394.db2.gz KUCKLKYNTWQNCA-QHCPKHFHSA-N 0 3 434.536 4.469 50 0 IIAAHN C[C@H]1C[C@H](NC(=O)COc2ccc(Oc3ccccn3)cc2)CCN1Cc1ccccc1 ZINC000095408995 569365018 /nfs/dbraw/zinc/36/50/18/569365018.db2.gz YJOAPKMPADYJON-RBBKRZOGSA-N 0 3 431.536 4.422 50 0 IIAAHN O=C(CN[C@H](CN1CCCC1)c1ccccc1)Nc1cc(C2CC2)nn1-c1ccccc1 ZINC000095462573 569370179 /nfs/dbraw/zinc/37/01/79/569370179.db2.gz QMQONKWHCDMIHJ-XMMPIXPASA-N 0 3 429.568 4.115 50 0 IIAAHN COC(=O)c1cccc(CC(=O)N[C@H](c2ccc(F)c(F)c2)C(C)(C)N2CCCC2)c1 ZINC000096011123 569379778 /nfs/dbraw/zinc/37/97/78/569379778.db2.gz QQJHAZOPBMCXPY-JOCHJYFZSA-N 0 3 430.495 4.026 50 0 IIAAHN Cn1c(CCN2CCN(c3ccccc3)CC2)nc2cc(NC(=O)C3CCCCC3)ccc21 ZINC000057264333 569430062 /nfs/dbraw/zinc/43/00/62/569430062.db2.gz JSSXDNBUDYVLQA-UHFFFAOYSA-N 0 3 445.611 4.457 50 0 IIAAHN CC[C@@H](Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1)C(=O)Nc1cc(C)on1 ZINC000057362942 569432061 /nfs/dbraw/zinc/43/20/61/569432061.db2.gz QTIBLCIQONQEOC-HSZRJFAPSA-N 0 3 433.556 4.134 50 0 IIAAHN CC(=O)N1CCc2cc(C(=O)NCc3ccccc3-c3ccc(CN(C)C)cc3)ccc21 ZINC000031078636 569453230 /nfs/dbraw/zinc/45/32/30/569453230.db2.gz UHNRXKDQWWGMTE-UHFFFAOYSA-N 0 3 427.548 4.254 50 0 IIAAHN Cc1cccc(NC(=O)[C@H]2CCCN(C[C@H](O)COc3ccc(-c4ccccc4)cc3)C2)n1 ZINC000040149581 569492563 /nfs/dbraw/zinc/49/25/63/569492563.db2.gz GVNMHVVYSJLPOU-ZEQRLZLVSA-N 0 3 445.563 4.147 50 0 IIAAHN CCc1cc(=O)oc2c(C)c(O[C@@H](C)C(=O)NC3CCN(Cc4ccccc4)CC3)ccc12 ZINC000009044864 569498008 /nfs/dbraw/zinc/49/80/08/569498008.db2.gz SFQMIYIAVKOUOK-IBGZPJMESA-N 0 3 448.563 4.212 50 0 IIAAHN CC[C@H](O)CN(CC(=O)N1CCc2sccc2[C@H]1COc1cccc(C)c1)CC1CC1 ZINC000245279435 569502004 /nfs/dbraw/zinc/50/20/04/569502004.db2.gz FKTPIQFLWJFSKO-NZQKXSOJSA-N 0 3 442.625 4.044 50 0 IIAAHN CN(CCCNC(=O)c1ccc(C[S@](=O)c2ccc(Cl)cc2)o1)Cc1ccccc1 ZINC000009115662 569502782 /nfs/dbraw/zinc/50/27/82/569502782.db2.gz KDHGRIXIIUIFLD-SSEXGKCCSA-N 0 3 444.984 4.493 50 0 IIAAHN COc1ccc([C@@H](CNC(=O)Cn2c3ccccc3nc2C(F)(F)F)N2CCCC2)cc1 ZINC000009127863 569505293 /nfs/dbraw/zinc/50/52/93/569505293.db2.gz XNPNLOSGCOACJC-HXUWFJFHSA-N 0 3 446.473 4.017 50 0 IIAAHN Cc1ccc(NC(=O)Nc2nc(C(=O)NC3CCN(Cc4ccccc4)CC3)cs2)cc1 ZINC000009318213 569522431 /nfs/dbraw/zinc/52/24/31/569522431.db2.gz LNMUACXJUNKAKP-UHFFFAOYSA-N 0 3 449.580 4.490 50 0 IIAAHN CCOC(=O)c1sc2ncnc(N3CCCN(Cc4ccc(F)cc4)CC3)c2c1C ZINC000009414734 569532049 /nfs/dbraw/zinc/53/20/49/569532049.db2.gz XLBBMPVHNANGQI-UHFFFAOYSA-N 0 3 428.533 4.028 50 0 IIAAHN CCCCN(CC)C(=O)CSc1nc2ccccc2c(=O)n1CCCN1CCCCC1 ZINC000009473107 569539053 /nfs/dbraw/zinc/53/90/53/569539053.db2.gz OCQZZZMVWWJFDG-UHFFFAOYSA-N 0 3 444.645 4.013 50 0 IIAAHN O=C(Cc1c[nH]c2ccccc12)N1CCC2(CC1)Nc1cccnc1N=C2NC1CCCC1 ZINC000108973609 569587039 /nfs/dbraw/zinc/58/70/39/569587039.db2.gz IINZNIIPLQZCOB-UHFFFAOYSA-N 0 3 442.567 4.155 50 0 IIAAHN Cc1ccc([C@H](C(=O)N(C)CC2CCN(CCc3cccc(F)c3)CC2)N(C)C)cc1 ZINC000055088435 193935047 /nfs/dbraw/zinc/93/50/47/193935047.db2.gz YBFISWWKIQFGPV-RUZDIDTESA-N 0 3 425.592 4.150 50 0 IIAAHN CC(C)CCNC(=O)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CCN(C3CCCC3)C[C@H]12 ZINC000035908090 519661381 /nfs/dbraw/zinc/66/13/81/519661381.db2.gz VPVXXTXZQRMNHA-RBBKRZOGSA-N 0 3 437.550 4.473 50 0 IIAAHN CC1(C)C[C@H](NC(=O)c2ccc(OC3CCN(CCc4ccccc4)CC3)cc2)CCO1 ZINC000012224409 520552869 /nfs/dbraw/zinc/55/28/69/520552869.db2.gz MONCKBOHKBQXBD-HSZRJFAPSA-N 0 3 436.596 4.460 50 0 IIAAHN CCN(CC)[C@H](CNC(=O)c1nn(-c2ccccc2)c(=O)c2ccccc21)c1ccccc1 ZINC000012918785 520866535 /nfs/dbraw/zinc/86/65/35/520866535.db2.gz QDRXTFVLBAQEAS-XMMPIXPASA-N 0 3 440.547 4.199 50 0 IIAAHN CCOC(=O)[C@]1(Cc2cccc(OC)c2)CCCN(Cc2c(C)nn(C(C)C)c2C)C1 ZINC000012710426 521356091 /nfs/dbraw/zinc/35/60/91/521356091.db2.gz FVRFZYFTVPNYCY-VWLOTQADSA-N 0 3 427.589 4.477 50 0 IIAAHN CCN1CCN(Cc2ccc(NC(=O)c3noc4c3CSc3ccccc3-4)cc2)CC1 ZINC000022936352 521688870 /nfs/dbraw/zinc/68/88/70/521688870.db2.gz UOVMBVGKQMINNA-UHFFFAOYSA-N 0 3 434.565 4.337 50 0 IIAAHN COc1cc(CN[C@@H](C)c2ccccc2)ccc1OCc1nnnn1-c1ccc(C)cc1 ZINC000022108178 522473282 /nfs/dbraw/zinc/47/32/82/522473282.db2.gz NCKALTGIYINKTF-IBGZPJMESA-N 0 3 429.524 4.409 50 0 IIAAHN CN(C[C@@H]1CCCCN1C)C(=O)CCc1nnc(C2(c3ccc(Cl)cc3)CCC2)o1 ZINC000012315579 523027777 /nfs/dbraw/zinc/02/77/77/523027777.db2.gz BULBOBKHERWKQW-IBGZPJMESA-N 0 3 430.980 4.068 50 0 IIAAHN Cc1cccc(-n2ncc(C(=O)NCCCN(C)Cc3ccccc3)c2-n2cccc2)c1 ZINC000020980107 524146376 /nfs/dbraw/zinc/14/63/76/524146376.db2.gz RDDYFPMIKAFGTF-UHFFFAOYSA-N 0 3 427.552 4.223 50 0 IIAAHN Cc1cc(C)c(CN2CCc3nnc([C@H](CC(C)C)NC(=O)c4ccco4)n3CC2)cc1C ZINC000020453656 524263484 /nfs/dbraw/zinc/26/34/84/524263484.db2.gz CVDBIRJRVMBSAK-QFIPXVFZSA-N 0 3 449.599 4.372 50 0 IIAAHN COc1ccccc1NC(=O)CCN1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000022197550 524589887 /nfs/dbraw/zinc/58/98/87/524589887.db2.gz WPZPSUSNVDPCMQ-UHFFFAOYSA-N 0 3 429.564 4.431 50 0 IIAAHN Cc1ccc(-n2cc(CN3CCC[C@@H](c4nncn4C)C3)c(-c3ccc(F)cc3)n2)cc1 ZINC000020909078 525908153 /nfs/dbraw/zinc/90/81/53/525908153.db2.gz HHFJKABCAVFDBX-HXUWFJFHSA-N 0 3 430.531 4.495 50 0 IIAAHN Fc1ccc(CNCc2cccn2-c2nnc(N3CCN(c4ccccc4)CC3)s2)cc1 ZINC000020576468 526339235 /nfs/dbraw/zinc/33/92/35/526339235.db2.gz MYCFJSWIYXTTMZ-UHFFFAOYSA-N 0 3 448.571 4.084 50 0 IIAAHN O=C(CCC1CCN(Cc2ccc3c(c2)OCCO3)CC1)NCc1cccc(Cl)c1 ZINC000012749883 526408811 /nfs/dbraw/zinc/40/88/11/526408811.db2.gz JJYJRESEPBPREP-UHFFFAOYSA-N 0 3 428.960 4.420 50 0 IIAAHN O=C(NCc1cccc(F)c1)[C@H]1Cc2ccccc2N2CCN(CCc3ccccc3)C[C@@H]12 ZINC000035870707 526719646 /nfs/dbraw/zinc/71/96/46/526719646.db2.gz ZMINZEFTLSFHMP-BDYUSTAISA-N 0 3 443.566 4.048 50 0 IIAAHN Cc1nc(N2CCC(N[C@@H](Cn3cccn3)c3ccccc3)CC2)nc2ccc(F)cc12 ZINC000012160189 526963285 /nfs/dbraw/zinc/96/32/85/526963285.db2.gz VJGQOVTTWUAPIR-DEOSSOPVSA-N 0 3 430.531 4.274 50 0 IIAAHN Cn1cc(CN2CCC(c3nc4ccccc4[nH]3)CC2)c(-c2ccc3c(c2)OCCO3)n1 ZINC000012316275 527196639 /nfs/dbraw/zinc/19/66/39/527196639.db2.gz DMKJRVKQORNFIA-UHFFFAOYSA-N 0 3 429.524 4.114 50 0 IIAAHN O=C(Nc1cccc(N2CCC(NCc3cnn(Cc4ccccc4)c3)CC2)c1)C1CC1 ZINC000012242658 527356888 /nfs/dbraw/zinc/35/68/88/527356888.db2.gz OODUHQMYVKBURJ-UHFFFAOYSA-N 0 3 429.568 4.039 50 0 IIAAHN Cn1ncc2c1nc(N1CCN(C3CCCCC3)CC1)nc2Nc1ccc(Cl)cc1 ZINC000021928478 527581880 /nfs/dbraw/zinc/58/18/80/527581880.db2.gz KZKXCMFRXAVFAC-UHFFFAOYSA-N 0 3 425.968 4.215 50 0 IIAAHN Cc1nn(C)c2nc(C3CC3)cc(C(=O)Nc3ccc(OC[C@@H]4CCCCN4C)cc3)c12 ZINC000036616647 527683994 /nfs/dbraw/zinc/68/39/94/527683994.db2.gz MYKWCCVBQMEYKI-IBGZPJMESA-N 0 3 433.556 4.270 50 0 IIAAHN CCN1CCC[C@@H]1CNC(=O)c1ccc2c(c1)NC(=O)/C(=C\c1ccccc1F)S2 ZINC000004466023 556309554 /nfs/dbraw/zinc/30/95/54/556309554.db2.gz SPCVDRWAFFUROT-VYVDHXHBSA-N 0 3 425.529 4.125 50 0 IIAAHN CCOC(=O)c1c(C)c(-c2ccccc2)n(CC(=O)NCCN2CCCC[C@@H]2CC)c1C ZINC000009830259 556310448 /nfs/dbraw/zinc/31/04/48/556310448.db2.gz GBPHNLAERCYAQR-QFIPXVFZSA-N 0 3 439.600 4.329 50 0 IIAAHN Cn1nnnc1SCCNCc1c(OCc2ccc(Cl)cc2)ccc2ccccc21 ZINC000013942029 556338840 /nfs/dbraw/zinc/33/88/40/556338840.db2.gz POVKUPNNRUMPSU-UHFFFAOYSA-N 0 3 439.972 4.478 50 0 IIAAHN CCN(CCn1cccn1)C(=O)c1ccc(OC2CCN(CCc3ccccc3)CC2)cc1 ZINC000011771210 556350224 /nfs/dbraw/zinc/35/02/24/556350224.db2.gz VLNVWWGPSCRMDH-UHFFFAOYSA-N 0 3 446.595 4.131 50 0 IIAAHN COc1ccccc1CCNC(=O)[C@@H]1CC12CCN(Cc1cc(C)c(OC)cc1C)CC2 ZINC000011813561 556356818 /nfs/dbraw/zinc/35/68/18/556356818.db2.gz CROYNWPWTJDGQV-QHCPKHFHSA-N 0 3 436.596 4.282 50 0 IIAAHN CN(C(=O)CC[C@H]1CCCN(Cc2cccc(C(F)(F)F)c2)C1)C1CCN(C)CC1 ZINC000011840751 556364810 /nfs/dbraw/zinc/36/48/10/556364810.db2.gz WEPHZDNHTGOFBH-GOSISDBHSA-N 0 3 425.539 4.250 50 0 IIAAHN CCN(CC)C(=O)[C@@H]1CCCN(Cc2ccc3c(c2)CN(Cc2ccsc2)CCO3)C1 ZINC000012001477 556385622 /nfs/dbraw/zinc/38/56/22/556385622.db2.gz KFBHKTZFZDYYFR-JOCHJYFZSA-N 0 3 441.641 4.223 50 0 IIAAHN O=C1N(Cc2ccccn2)C(=O)C2(CCN(Cc3ccsc3)CC2)N1Cc1ccccc1 ZINC000014536170 556423483 /nfs/dbraw/zinc/42/34/83/556423483.db2.gz JZEAHTZHQVYFII-UHFFFAOYSA-N 0 3 446.576 4.142 50 0 IIAAHN CC(C)CN1C(=O)N(Cc2ccccn2)C(=O)C12CCN(Cc1cc3ccccc3[nH]1)CC2 ZINC000014750244 556443259 /nfs/dbraw/zinc/44/32/59/556443259.db2.gz YAZYEFWTHKPGBZ-UHFFFAOYSA-N 0 3 445.567 4.018 50 0 IIAAHN Cc1cc(C(=O)N(C)[C@@H](Cc2ccccc2)C2CCN(Cc3ccc(F)cc3)CC2)n(C)n1 ZINC000014878756 556452489 /nfs/dbraw/zinc/45/24/89/556452489.db2.gz OTKWICJQMVLSKY-VWLOTQADSA-N 0 3 448.586 4.463 50 0 IIAAHN CCN(Cc1ccccc1)Cc1ccc(C(=O)NCC2C3CC4CC(C3)CC2C4)c(=O)[nH]1 ZINC000014950623 556460803 /nfs/dbraw/zinc/46/08/03/556460803.db2.gz ZZYSFVUZSJJSAB-UHFFFAOYSA-N 0 3 433.596 4.199 50 0 IIAAHN Cc1nn(-c2ccc(F)cc2)c(C)c1CN1CCC[C@H](CNC(=O)c2cccs2)C1 ZINC000014976100 556468921 /nfs/dbraw/zinc/46/89/21/556468921.db2.gz OBJROZAXIRWESC-GOSISDBHSA-N 0 3 426.561 4.332 50 0 IIAAHN CC(C)c1ccc(CN2CCc3nnc([C@@H](NC(=O)c4ccoc4)C(C)C)n3CC2)cc1 ZINC000014994065 556476937 /nfs/dbraw/zinc/47/69/37/556476937.db2.gz RLJNOXRDVYBBRT-QHCPKHFHSA-N 0 3 435.572 4.180 50 0 IIAAHN COc1ccc(OC)c(NC(=O)N(C)C[C@@H]2CCCN(CCc3ccccc3OC)C2)c1 ZINC000015073109 556497246 /nfs/dbraw/zinc/49/72/46/556497246.db2.gz BZQOQRRKNJXPSI-IBGZPJMESA-N 0 3 441.572 4.131 50 0 IIAAHN CC[C@@H](C)[C@H](NC(=O)OCc1ccccc1)C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000013523494 556512309 /nfs/dbraw/zinc/51/23/09/556512309.db2.gz JWTQCVWAAYGGOM-YKSBVNFPSA-N 0 3 437.584 4.108 50 0 IIAAHN Cc1ccc(NC(=O)CC2C(=O)N(Cc3cccnc3)c3nc4ccccc4n32)c(C)c1 ZINC000030937592 556515491 /nfs/dbraw/zinc/51/54/91/556515491.db2.gz DMENJXBEEUPIGW-QFIPXVFZSA-N 0 3 425.492 4.165 50 0 IIAAHN O=C(NC[C@@H](c1ccccc1)N1CCCC1)c1cccc(OCc2cn3ccccc3n2)c1 ZINC000032899702 556531337 /nfs/dbraw/zinc/53/13/37/556531337.db2.gz KOROEOKTXCTVOL-VWLOTQADSA-N 0 3 440.547 4.480 50 0 IIAAHN CCCOc1cccc([C@@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2CCCN(C)C)c1 ZINC000016751548 556637484 /nfs/dbraw/zinc/63/74/84/556637484.db2.gz XKBOVNSOJAEHEK-JOCHJYFZSA-N 0 3 438.499 4.218 50 0 IIAAHN O=C(c1cnc2ccc(F)cc2c1N1CCN(C2CCCCC2)CC1)N1CCSCC1 ZINC000072328411 556725508 /nfs/dbraw/zinc/72/55/08/556725508.db2.gz USELBNKPSBMXPQ-UHFFFAOYSA-N 0 3 442.604 4.018 50 0 IIAAHN CN(Cc1c(C(=O)N2CCN(C3CCCCC3)CC2)nc2ccccn21)Cc1ccccc1 ZINC000055225877 556738352 /nfs/dbraw/zinc/73/83/52/556738352.db2.gz YVQXYZKVSDLTEJ-UHFFFAOYSA-N 0 3 445.611 4.057 50 0 IIAAHN COc1cc(C(=O)N(CCCc2ccccc2)CCN(C)C)cc(OC)c1Br ZINC000058157335 556763054 /nfs/dbraw/zinc/76/30/54/556763054.db2.gz FZSOQIWAHUCBFN-UHFFFAOYSA-N 0 3 449.389 4.103 50 0 IIAAHN C[C@@H](Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1)C(=O)N(C)Cc1ccccc1 ZINC000058160797 556764976 /nfs/dbraw/zinc/76/49/76/556764976.db2.gz JOHYHDYJIDOQJJ-HSZRJFAPSA-N 0 3 442.607 4.468 50 0 IIAAHN COCc1nn2c(c1-c1ccccc1)NC(=O)C2CC(=O)Nc1ccccc1C(F)(F)F ZINC000072453356 557009789 /nfs/dbraw/zinc/00/97/89/557009789.db2.gz NERZOUUZJJQBKI-QGZVFWFLSA-N 0 3 444.413 4.237 50 0 IIAAHN Cc1nn(-c2cccc(F)c2)c2c1C(C(=O)c1ccc(Br)cc1)CC(=O)N2 ZINC000046057710 557029044 /nfs/dbraw/zinc/02/90/44/557029044.db2.gz USJLTJIETPPSJN-MRXNPFEDSA-N 0 3 428.261 4.391 50 0 IIAAHN COc1ccc(CN(Cc2cc(=O)n3ccsc3n2)[C@@H](C)Cc2cccs2)cc1 ZINC000023054970 557060471 /nfs/dbraw/zinc/06/04/71/557060471.db2.gz NHBKYTXTCILRRQ-INIZCTEOSA-N 0 3 425.579 4.460 50 0 IIAAHN Cc1c(CN2CCC[C@H](C(=O)c3cccc(OC(C)C)c3)C2)c(=O)n(-c2ccccc2)n1C ZINC000023339365 557085663 /nfs/dbraw/zinc/08/56/63/557085663.db2.gz XDZZASQZPMEHDP-QFIPXVFZSA-N 0 3 447.579 4.367 50 0 IIAAHN CCNC(=O)[C@@H]1C[C@H](NCc2cccc(OCc3ccccc3)c2)CN1Cc1ccccc1 ZINC000023362624 557087906 /nfs/dbraw/zinc/08/79/06/557087906.db2.gz ZLEKGXYQPKLKEI-BDYUSTAISA-N 0 3 443.591 4.134 50 0 IIAAHN CCc1ccc(-c2noc(CCC(=O)NC[C@@H](c3ccc(OC)cc3)N3CCCC3)n2)cc1 ZINC000023392048 557090363 /nfs/dbraw/zinc/09/03/63/557090363.db2.gz FJUIAVVDMOINAF-QHCPKHFHSA-N 0 3 448.567 4.194 50 0 IIAAHN O=C(CC1C(=O)N(Cc2cccnc2)c2nc3ccccc3n21)Nc1cccc(Cl)c1 ZINC000023411298 557091314 /nfs/dbraw/zinc/09/13/14/557091314.db2.gz MBGNDHSOJCYFEF-FQEVSTJZSA-N 0 3 431.883 4.201 50 0 IIAAHN COc1ccc([C@H](CNC(=O)c2cc(-c3ccncc3)nc3ccccc32)N(C)C)cc1 ZINC000023488148 557095018 /nfs/dbraw/zinc/09/50/18/557095018.db2.gz AGEOTWHYYIBWFW-VWLOTQADSA-N 0 3 426.520 4.338 50 0 IIAAHN CN(Cc1ccccc1)c1ccc(-c2noc(CN3CCN(C4CCCCC4)CC3)n2)cn1 ZINC000049409697 557104973 /nfs/dbraw/zinc/10/49/73/557104973.db2.gz PXOWZHKSIZORFF-UHFFFAOYSA-N 0 3 446.599 4.218 50 0 IIAAHN COc1ccc(CN(Cc2nn3c(nc(C)cc3=O)s2)[C@@H](C)Cc2cccs2)cc1 ZINC000024893023 557177324 /nfs/dbraw/zinc/17/73/24/557177324.db2.gz GEHHJTGUWTZOEE-INIZCTEOSA-N 0 3 440.594 4.163 50 0 IIAAHN O=C(CN[C@@H](Cc1ccccc1)c1ccccc1)NCC1(c2ccccc2)CCOCC1 ZINC000069946517 557213092 /nfs/dbraw/zinc/21/30/92/557213092.db2.gz NLPZIDANGRPLRY-SANMLTNESA-N 0 3 428.576 4.425 50 0 IIAAHN Cc1csc(-c2cccc(NC(=O)N[C@H]3CCN(Cc4ccccc4)C[C@H]3CO)c2)n1 ZINC000107148821 557534772 /nfs/dbraw/zinc/53/47/72/557534772.db2.gz MGABPGKLWMHMHZ-UNMCSNQZSA-N 0 3 436.581 4.123 50 0 IIAAHN Cn1ccc2cc(NC(=O)[C@@]3(C)CCC(=O)N3C3CCN(Cc4ccccc4)CC3)ccc21 ZINC000108638407 557543380 /nfs/dbraw/zinc/54/33/80/557543380.db2.gz YWIGTKXCSKHRGA-HHHXNRCGSA-N 0 3 444.579 4.163 50 0 IIAAHN CN(Cc1ccc(Br)cc1)C[C@@H](O)COc1cccc(Br)c1 ZINC000002651479 562929332 /nfs/dbraw/zinc/92/93/32/562929332.db2.gz ANGVEPFEISKGIC-MRXNPFEDSA-N 0 3 429.152 4.083 50 0 IIAAHN CCOC(=O)c1c(C)oc2nc(C)nc(NCC3CCN(Cc4ccc(F)cc4)CC3)c21 ZINC000008596014 562953748 /nfs/dbraw/zinc/95/37/48/562953748.db2.gz AZRVJRGHANWSEW-UHFFFAOYSA-N 0 3 440.519 4.480 50 0 IIAAHN Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@@H]1N2C(=O)COc1ccc(N(C)C(=O)C(C)(C)C)cc1 ZINC000009440416 562971158 /nfs/dbraw/zinc/97/11/58/562971158.db2.gz KQAFMCZKNKXFKS-UPVQGACJSA-N 0 3 449.595 4.217 50 0 IIAAHN CCCc1cc(=O)oc2cc(C)cc(OCC(=O)NC3CCN(Cc4ccccc4)CC3)c12 ZINC000009487629 562971875 /nfs/dbraw/zinc/97/18/75/562971875.db2.gz RHSLRERFBYNOCK-UHFFFAOYSA-N 0 3 448.563 4.214 50 0 IIAAHN CN(C)Cc1ccccc1CN(C)C(=O)c1ccc(-c2cccc(-n3cnnc3)c2)cc1 ZINC000534592812 568758700 /nfs/dbraw/zinc/75/87/00/568758700.db2.gz PQJUJPCIPHPTKY-UHFFFAOYSA-N 0 3 425.536 4.268 50 0 IIAAHN O=C(Nc1ccccc1Oc1ccccc1)N[C@@H]1CCN(Cc2ccccc2)C[C@H]1CO ZINC000084535861 568798605 /nfs/dbraw/zinc/79/86/05/568798605.db2.gz KJKUGEAELYWBPP-JTHBVZDNSA-N 0 3 431.536 4.483 50 0 IIAAHN CC(C)Cc1ccc([C@H](NCC(=O)Nc2cc(S(C)(=O)=O)ccc2F)C(C)C)cc1 ZINC000084575136 568798786 /nfs/dbraw/zinc/79/87/86/568798786.db2.gz ZCDQIUVOEHJMOU-HSZRJFAPSA-N 0 3 434.577 4.353 50 0 IIAAHN COc1ccc(N2OC3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@@H]3[C@H]2c2ccccc2)cc1 ZINC000239275138 568910958 /nfs/dbraw/zinc/91/09/58/568910958.db2.gz BFWHVTSVWUKBED-VSKRKVRLSA-N 0 3 434.879 4.400 50 0 IIAAHN Cc1ccc(Oc2nccnc2SCC(=O)NC2CCN(Cc3ccccc3)CC2)cc1 ZINC000065110970 569106241 /nfs/dbraw/zinc/10/62/41/569106241.db2.gz DCEGXCHXUUISBK-UHFFFAOYSA-N 0 3 448.592 4.450 50 0 IIAAHN O=C(NC1CCN(Cc2ccccc2)CC1)c1ccn2c(c1)nnc2-c1ccc(Cl)cc1 ZINC000065296157 569131635 /nfs/dbraw/zinc/13/16/35/569131635.db2.gz GTEKMBBPOMPACZ-UHFFFAOYSA-N 0 3 445.954 4.444 50 0 IIAAHN Cc1nc(-c2cccc(NC(=O)NCc3ccccc3CN3CCC[C@H]3CO)c2)oc1C ZINC000170609697 569144704 /nfs/dbraw/zinc/14/47/04/569144704.db2.gz QMNJGDLIGQNFSY-QHCPKHFHSA-N 0 3 434.540 4.237 50 0 IIAAHN O=C(Nc1cccc2c1CN(CC(F)(F)F)C2)NC1CCN(Cc2ccccc2)CC1 ZINC000170609529 569144800 /nfs/dbraw/zinc/14/48/00/569144800.db2.gz SULBKZISZCZLAP-UHFFFAOYSA-N 0 3 432.490 4.351 50 0 IIAAHN CC(C)[C@H](Nc1ccc(C(F)(F)F)cc1Cl)C(=O)Nc1ccn(CCN(C)C)n1 ZINC000078718500 569318569 /nfs/dbraw/zinc/31/85/69/569318569.db2.gz OPEQLMUPFIEWQD-KRWDZBQOSA-N 0 3 431.890 4.192 50 0 IIAAHN CCN(C(=O)Nc1ccccc1N1C[C@@H](C)O[C@@H](C)C1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000095942633 569375562 /nfs/dbraw/zinc/37/55/62/569375562.db2.gz ALGDMLUEZYZRDO-FUPPJEDESA-N 0 3 436.600 4.429 50 0 IIAAHN CC(C)(C)CC(=O)N1CCC(N[C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)CC1 ZINC000095995892 569378794 /nfs/dbraw/zinc/37/87/94/569378794.db2.gz SDDWRWQRPUTHBX-SFHVURJKSA-N 0 3 426.388 4.116 50 0 IIAAHN CN(CC(=O)Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1)Cc1ccsc1 ZINC000057335931 569431282 /nfs/dbraw/zinc/43/12/82/569431282.db2.gz KXUZDQYPYIUZIX-UHFFFAOYSA-N 0 3 434.609 4.141 50 0 IIAAHN O=C(NCc1cccs1)C1CCN(Cc2cnn(-c3ccccc3)c2-n2cccc2)CC1 ZINC000002960470 569432731 /nfs/dbraw/zinc/43/27/31/569432731.db2.gz QRGOWFSWCZCYRX-UHFFFAOYSA-N 0 3 445.592 4.253 50 0 IIAAHN CCN(CC)[C@H](CNC(=O)NCc1ccc(NC(=O)C(C)C)cc1)c1cccc(OC)c1 ZINC000031031376 569452692 /nfs/dbraw/zinc/45/26/92/569452692.db2.gz IIDUOPALQJMWIX-HSZRJFAPSA-N 0 3 440.588 4.172 50 0 IIAAHN O=C(Cn1ccc2ccc(Br)cc21)NC1CCN(Cc2ccccc2)CC1 ZINC000040283090 569497829 /nfs/dbraw/zinc/49/78/29/569497829.db2.gz WKTUVKCXDWHXGB-UHFFFAOYSA-N 0 3 426.358 4.185 50 0 IIAAHN Cc1cccc([S@](=O)Cc2ccc(C(=O)NCCCN3CCc4ccccc4C3)o2)c1 ZINC000009115386 569502677 /nfs/dbraw/zinc/50/26/77/569502677.db2.gz JMPFECKJUPEYRC-HKBQPEDESA-N 0 3 436.577 4.074 50 0 IIAAHN CC(C)CCN(CC(=O)N1CCc2sccc2[C@H]1COc1ccc(F)cc1)C[C@H](C)O ZINC000245328791 569504006 /nfs/dbraw/zinc/50/40/06/569504006.db2.gz PROUWLVYZDGUOS-PGRDOPGGSA-N 0 3 448.604 4.121 50 0 IIAAHN Cc1cc(-c2ccc(C)c(S(=O)(=O)NC[C@@H]3CCN(Cc4ccc(C)cc4)C3)c2)on1 ZINC000009268710 569517568 /nfs/dbraw/zinc/51/75/68/569517568.db2.gz JFLMKKDMTVUKML-NRFANRHFSA-N 0 3 439.581 4.067 50 0 IIAAHN CCN(CC)CCN1C(=O)c2oc3cc(C)c(C)cc3c(=O)c2[C@@H]1c1ccccc1OC ZINC000009328295 569522828 /nfs/dbraw/zinc/52/28/28/569522828.db2.gz DYGBVXMRYBOWDE-QHCPKHFHSA-N 0 3 434.536 4.305 50 0 IIAAHN CN(CCCNC(=O)c1ccc(OCc2cn3ccccc3n2)cc1)Cc1ccccc1 ZINC000009919446 569573506 /nfs/dbraw/zinc/57/35/06/569573506.db2.gz SEKUXFNOQNFUHO-UHFFFAOYSA-N 0 3 428.536 4.165 50 0 IIAAHN COc1ccccc1N1CCN(C2CCN(Cc3ccccc3Br)CC2)CC1 ZINC000002734438 132256723 /nfs/dbraw/zinc/25/67/23/132256723.db2.gz DYFHRZGDOMDCCZ-UHFFFAOYSA-N 0 3 444.417 4.244 50 0 IIAAHN C[C@@H](NC[C@H](c1c[nH]c2ccccc21)c1ccccc1)C(=O)N1CC(=O)Nc2ccccc21 ZINC000009782266 132328918 /nfs/dbraw/zinc/32/89/18/132328918.db2.gz PGRLJYCUTGFIBC-NQIIRXRSSA-N 0 3 438.531 4.263 50 0 IIAAHN O=C(C1CCN(Cc2ccc(C(F)(F)F)cc2)CC1)N1CCN(c2ccccc2F)CC1 ZINC000009805954 132329232 /nfs/dbraw/zinc/32/92/32/132329232.db2.gz YJROSZVVKZNVSQ-UHFFFAOYSA-N 0 3 449.492 4.405 50 0 IIAAHN CC(C)(CO)NCc1cc2cc3c(cc2n(Cc2cccc(C(F)(F)F)c2)c1=O)CCC3 ZINC000012450237 519280163 /nfs/dbraw/zinc/28/01/63/519280163.db2.gz FURUTAQTJXJHBO-UHFFFAOYSA-N 0 3 444.497 4.418 50 0 IIAAHN CC(C)Cc1ccc(CN2CCc3nnc([C@@H](NC(=O)c4ccoc4)C(C)C)n3CC2)cc1 ZINC000020992818 519437431 /nfs/dbraw/zinc/43/74/31/519437431.db2.gz LEAFFYREVKZLJM-DEOSSOPVSA-N 0 3 449.599 4.255 50 0 IIAAHN CC(C)CCNC(=O)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CCN(C3CCCC3)C[C@H]12 ZINC000035908089 519659419 /nfs/dbraw/zinc/65/94/19/519659419.db2.gz VPVXXTXZQRMNHA-IFMALSPDSA-N 0 3 437.550 4.473 50 0 IIAAHN CC1(C)C[C@@H](NC(=O)c2ccc(OC3CCN(CCc4ccccc4)CC3)cc2)CCO1 ZINC000012224403 520521789 /nfs/dbraw/zinc/52/17/89/520521789.db2.gz MONCKBOHKBQXBD-QHCPKHFHSA-N 0 3 436.596 4.460 50 0 IIAAHN CCOC(=O)[C@]1(Cc2cccc(Cl)c2)CCCN(Cc2cccn2-c2ncccn2)C1 ZINC000012596568 521356657 /nfs/dbraw/zinc/35/66/57/521356657.db2.gz NRCVXZLWNIVZQZ-DEOSSOPVSA-N 0 3 438.959 4.309 50 0 IIAAHN CCN1CCC[C@H]1CNC(=O)c1ccc2c(c1)NC(=O)/C(=C\c1ccccc1F)S2 ZINC000020734570 521657411 /nfs/dbraw/zinc/65/74/11/521657411.db2.gz SPCVDRWAFFUROT-RSZPVBOMSA-N 0 3 425.529 4.125 50 0 IIAAHN COc1cc(-c2n[nH]cc2CN2CCCC[C@H]2CCn2ccnc2C)cc(OC)c1OC ZINC000012437414 521900519 /nfs/dbraw/zinc/90/05/19/521900519.db2.gz GWAOYTHVBQTDQB-FQEVSTJZSA-N 0 3 439.560 4.052 50 0 IIAAHN CN(CCCNC(=O)c1ccc2cnn(Cc3ccc(F)cc3)c2c1)Cc1ccccc1 ZINC000035560066 522768840 /nfs/dbraw/zinc/76/88/40/522768840.db2.gz KTBUIAUBSHVAPM-UHFFFAOYSA-N 0 3 430.527 4.476 50 0 IIAAHN COCCNC(=O)c1ccc(OC)cc1OC1CCN(CC[C@H](C)c2ccc(C)o2)CC1 ZINC000012300615 523926551 /nfs/dbraw/zinc/92/65/51/523926551.db2.gz WHJGOUDAZZXEBO-SFHVURJKSA-N 0 3 444.572 4.010 50 0 IIAAHN CO[C@H]1[C@H](NC(=O)Cc2cccs2)c2ccccc2C12CCN(Cc1cccnc1)CC2 ZINC000011913519 524022995 /nfs/dbraw/zinc/02/29/95/524022995.db2.gz ICNBYKPSUWLSFJ-RPBOFIJWSA-N 0 3 447.604 4.106 50 0 IIAAHN COc1ccc(CN2CCC(n3nccc3NC(=O)[C@@H](OC)c3ccccc3)CC2)cc1 ZINC000012387520 524025750 /nfs/dbraw/zinc/02/57/50/524025750.db2.gz LLJUCVISCTZXDA-DEOSSOPVSA-N 0 3 434.540 4.055 50 0 IIAAHN CCc1ccc([C@@H](CNC(=O)C2CCN(c3ccc(C(F)(F)F)cn3)CC2)N(C)C)cc1 ZINC000012904515 524029068 /nfs/dbraw/zinc/02/90/68/524029068.db2.gz UPVAHEGPRPJQRM-OAQYLSRUSA-N 0 3 448.533 4.298 50 0 IIAAHN CCc1ccc([C@@H](CNC(=O)C2CCN(C(=O)c3ccc(Cl)cc3)CC2)N(C)C)cc1 ZINC000012780616 524029723 /nfs/dbraw/zinc/02/97/23/524029723.db2.gz OGJVSJUGCZUTEM-HSZRJFAPSA-N 0 3 442.003 4.174 50 0 IIAAHN CCc1ccc([C@H](CNC(=O)[C@@H](Cc2ccccc2)NC(=O)c2cccs2)N(C)C)cc1 ZINC000012794415 524048772 /nfs/dbraw/zinc/04/87/72/524048772.db2.gz KWGSVYADIKJCAY-PKTZIBPZSA-N 0 3 449.620 4.071 50 0 IIAAHN COc1ccc(Cl)cc1NC(=O)[C@H]1C[C@H](CC(C)C)N[C@]12C(=O)Nc1ccc(C)cc12 ZINC000012890161 524239443 /nfs/dbraw/zinc/23/94/43/524239443.db2.gz IMAMVFUBXAENMY-GXYVPTEVSA-N 0 3 441.959 4.467 50 0 biogenic IIAAHN COc1ccccc1CCN1CCC(CN(C)C(=O)c2ccc3nc(C)c(C)nc3c2)CC1 ZINC000014955125 524410133 /nfs/dbraw/zinc/41/01/33/524410133.db2.gz RZHJDVNOQDCTRX-UHFFFAOYSA-N 0 3 446.595 4.282 50 0 IIAAHN Cc1ccc(NC(=O)CC2C(=O)N(C[C@@H]3CCCO3)c3nc4ccccc4n32)cc1Cl ZINC000023382229 525088943 /nfs/dbraw/zinc/08/89/43/525088943.db2.gz SWQXAVPISJUWDA-OXJNMPFZSA-N 0 3 438.915 4.094 50 0 IIAAHN Cc1ccc(NC(=O)N2CCC(CC(=O)NCCCN(C)Cc3ccccc3)CC2)cc1 ZINC000035529020 525120510 /nfs/dbraw/zinc/12/05/10/525120510.db2.gz ZUGFPNGNLLFMTE-UHFFFAOYSA-N 0 3 436.600 4.267 50 0 IIAAHN Cc1ccccc1CNCc1cccn1-c1nnc(N2CCN(c3ccccc3)CC2)s1 ZINC000020576452 525169396 /nfs/dbraw/zinc/16/93/96/525169396.db2.gz GGXITTXVUKWWEY-UHFFFAOYSA-N 0 3 444.608 4.254 50 0 IIAAHN Cc1ccc(-n2cc(CN3CCC(N4CCOCC4)CC3)c(-c3cccc(C)c3)n2)cc1 ZINC000012579299 525907893 /nfs/dbraw/zinc/90/78/93/525907893.db2.gz XEZBCTPPJLCJDE-UHFFFAOYSA-N 0 3 430.596 4.453 50 0 IIAAHN C[C@H]1CCCCN1CCNC(=O)CC1CCN(C(=O)c2cc3cc(Cl)ccc3[nH]2)CC1 ZINC000035454133 526248831 /nfs/dbraw/zinc/24/88/31/526248831.db2.gz SDOGUMCYJLYUJZ-KRWDZBQOSA-N 0 3 445.007 4.054 50 0 IIAAHN Cc1noc(C)c1COc1ccc(CC(=O)N2CCCN(Cc3ccccc3)CC2)cc1 ZINC000021972717 526522275 /nfs/dbraw/zinc/52/22/75/526522275.db2.gz CZIIVBJFZQYNKO-UHFFFAOYSA-N 0 3 433.552 4.147 50 0 IIAAHN O=C(c1ccc(SCCN2CCCCC2)nc1)N1CCN(c2ccc(Cl)cc2)CC1 ZINC000021663446 526712616 /nfs/dbraw/zinc/71/26/16/526712616.db2.gz VKTQKVDKLHCMBT-UHFFFAOYSA-N 0 3 445.032 4.275 50 0 IIAAHN O=C(CC1C(=O)N(Cc2cccnc2)c2nc3ccccc3n21)Nc1ccc(F)c(Cl)c1 ZINC000023411329 527100659 /nfs/dbraw/zinc/10/06/59/527100659.db2.gz IZCAUPNBKABQSU-HXUWFJFHSA-N 0 3 449.873 4.341 50 0 IIAAHN Cc1nccn1CC[C@H](NCc1cn(C)nc1-c1ccc2c(c1)OCCO2)c1ccccc1 ZINC000012430995 527435154 /nfs/dbraw/zinc/43/51/54/527435154.db2.gz QEQRHYPYIGEALF-QHCPKHFHSA-N 0 3 443.551 4.284 50 0 IIAAHN O=C(NCCN1CCCC1)c1csc(-c2ccc(OCc3ccc(F)cc3)cc2)n1 ZINC000034711699 555824893 /nfs/dbraw/zinc/82/48/93/555824893.db2.gz RTDITAGBYHTYIS-UHFFFAOYSA-N 0 3 425.529 4.354 50 0 IIAAHN O=C(NCCN1CCCCC1)c1cc(-c2ccccc2)nc2cc(-c3ccccc3)nn21 ZINC000034831651 555912683 /nfs/dbraw/zinc/91/26/83/555912683.db2.gz FONJOZRYWZRGEB-UHFFFAOYSA-N 0 3 425.536 4.279 50 0 IIAAHN COc1ccc(OC)c(CN2CCC[C@H](C(=O)N3CCC(Cc4ccccc4)CC3)C2)c1 ZINC000009831800 556312749 /nfs/dbraw/zinc/31/27/49/556312749.db2.gz PBCCEPWBHDJHJD-QHCPKHFHSA-N 0 3 436.596 4.397 50 0 IIAAHN COc1cc2c(cc1CN1CCC(C(=O)Nc3cccc(-c4cc[nH]n4)c3)CC1)CCC2 ZINC000011819568 556361274 /nfs/dbraw/zinc/36/12/74/556361274.db2.gz XWNUMAAKZAFLTM-UHFFFAOYSA-N 0 3 430.552 4.425 50 0 IIAAHN COc1ccccc1CCN1CCC[C@H](CN(C)C(=O)Cc2cn(C)c3ccccc23)C1 ZINC000011821443 556362717 /nfs/dbraw/zinc/36/27/17/556362717.db2.gz QVAATPOKFFMTTP-OAQYLSRUSA-N 0 3 433.596 4.143 50 0 IIAAHN COc1ccc(CNC2(c3ccccc3)CC2)cc1OC[C@@H](O)CN(C)Cc1ccccc1 ZINC000012051533 556392592 /nfs/dbraw/zinc/39/25/92/556392592.db2.gz SUDQJEZTBWPIQL-VWLOTQADSA-N 0 3 446.591 4.346 50 0 IIAAHN O=C(CCC1CCN(c2ncccc2Cl)CC1)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000012056524 556394246 /nfs/dbraw/zinc/39/42/46/556394246.db2.gz BFLXJOWMIUWVGI-OAQYLSRUSA-N 0 3 426.992 4.122 50 0 IIAAHN CN1CCC[C@H](CN(CCc2ccccc2)C(=O)CCc2nc(-c3ccccc3)no2)C1 ZINC000012057059 556394554 /nfs/dbraw/zinc/39/45/54/556394554.db2.gz GOMMEZFAVPNSPB-QFIPXVFZSA-N 0 3 432.568 4.082 50 0 IIAAHN CN1CCC2(CC1)C[C@@H](NC(=O)c1cc(C3CC3)nn1-c1ccccc1)c1ccccc1O2 ZINC000014246565 556406594 /nfs/dbraw/zinc/40/65/94/556406594.db2.gz FNOMWIPHUIJOKS-HSZRJFAPSA-N 0 3 442.563 4.468 50 0 IIAAHN Cc1cc(NC(=O)CN[C@H](c2ccc3c(c2)OCCCO3)C(C)C)n(-c2ccccc2)n1 ZINC000012990976 556428435 /nfs/dbraw/zinc/42/84/35/556428435.db2.gz QQMCTJPRADDJJX-VWLOTQADSA-N 0 3 434.540 4.267 50 0 IIAAHN COc1cc(CN2CCC[C@H](c3ccnc(SCCN4CCCC4)n3)C2)ccc1F ZINC000014976096 556468828 /nfs/dbraw/zinc/46/88/28/556468828.db2.gz GVROKSVHOWTVQR-IBGZPJMESA-N 0 3 430.593 4.192 50 0 IIAAHN COc1cc(NC(=O)N[C@@H](CN2CCc3ccccc3C2)C(C)(C)C)ccc1NC(C)=O ZINC000072289426 556485253 /nfs/dbraw/zinc/48/52/53/556485253.db2.gz OHZOLLASUONXCB-QHCPKHFHSA-N 0 3 438.572 4.248 50 0 IIAAHN COCCNC(=O)c1ccc(OC)cc1OC1CCN(C/C(C)=C/c2ccccc2)CC1 ZINC000015063338 556490947 /nfs/dbraw/zinc/49/09/47/556490947.db2.gz KXZZMVIVBNVMIH-LVZFUZTISA-N 0 3 438.568 4.018 50 0 IIAAHN COc1cc(C[C@@H]2CC(CNCCc3c[nH]c4ccc(Cl)cc34)=NO2)cc2c1OCO2 ZINC000015085771 556502306 /nfs/dbraw/zinc/50/23/06/556502306.db2.gz KIMBBEOIVQHYFH-GOSISDBHSA-N 0 3 441.915 4.078 50 0 IIAAHN Cc1ccn2c(c1)nc(C(=O)N1CCCCCC1)c2CNC[C@@H]1OCCc2ccccc21 ZINC000020149495 556576748 /nfs/dbraw/zinc/57/67/48/556576748.db2.gz OZNRBUQKSDONLU-QHCPKHFHSA-N 0 3 432.568 4.063 50 0 IIAAHN Cc1ccccc1C(=O)N(Cc1cccc(F)c1)c1ccc(CC(=O)NCCN(C)C)cc1 ZINC000037556420 556645067 /nfs/dbraw/zinc/64/50/67/556645067.db2.gz BOLHRUCOMREFSU-UHFFFAOYSA-N 0 3 447.554 4.201 50 0 IIAAHN CC(C)n1cc(CN2CCC[C@H](N3CCN(c4cccc(C(F)(F)F)c4)CC3)C2)cn1 ZINC000019224025 556716717 /nfs/dbraw/zinc/71/67/17/556716717.db2.gz XKZFVQHJIVWCAC-QFIPXVFZSA-N 0 3 435.538 4.269 50 0 IIAAHN Cc1nn(Cc2ccccc2)c(Cl)c1CN1CCC(CN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000060368403 556748759 /nfs/dbraw/zinc/74/87/59/556748759.db2.gz UBEBWXBGIMCBDR-RTBURBONSA-N 0 3 431.024 4.214 50 0 IIAAHN C[C@@H](CNC(=O)C[C@H](NC(=O)c1ccccc1Cl)c1ccccc1)N1CCC(C)CC1 ZINC000058024028 556754851 /nfs/dbraw/zinc/75/48/51/556754851.db2.gz HVOUTZYDDZITHV-CVDCTZTESA-N 0 3 442.003 4.438 50 0 IIAAHN C[C@H](Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1)C(=O)N1CCc2ccccc21 ZINC000058170523 556767994 /nfs/dbraw/zinc/76/79/94/556767994.db2.gz YQTPGBFUAGZIPB-QFIPXVFZSA-N 0 3 440.591 4.399 50 0 IIAAHN CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)CN(C(C)C)C1CCCCC1 ZINC000058266280 556776822 /nfs/dbraw/zinc/77/68/22/556776822.db2.gz NDAOXBZGDXDFCK-UHFFFAOYSA-N 0 3 447.620 4.302 50 0 IIAAHN C[C@@H]1CN(CC2CCN(C(=O)c3cc(-c4ccco4)nc4ccccc43)CC2)C[C@@H](C)O1 ZINC000058342816 556782138 /nfs/dbraw/zinc/78/21/38/556782138.db2.gz YNHGJBWDMJFRPQ-RTBURBONSA-N 0 3 433.552 4.456 50 0 IIAAHN Clc1cccc(CN2CCC[C@H](c3nc4c5cnn(-c6ccccc6)c5ncn4n3)C2)c1 ZINC000019639476 556836986 /nfs/dbraw/zinc/83/69/86/556836986.db2.gz VEGZBUVEJPFQCJ-SFHVURJKSA-N 0 3 443.942 4.496 50 0 IIAAHN COc1ccc(NC(=O)CC2C(=O)N(CCc3ccccc3)c3nc4ccccc4n32)cc1 ZINC000019962157 556955920 /nfs/dbraw/zinc/95/59/20/556955920.db2.gz AUTCLEXXSUGBLU-HSZRJFAPSA-N 0 3 440.503 4.204 50 0 IIAAHN COC(=O)c1c2c(sc1NC(=O)COc1ccc(Cl)cc1)C(C)(C)NC(C)(C)C2 ZINC000017242850 557043708 /nfs/dbraw/zinc/04/37/08/557043708.db2.gz HTFOUFWTSLDNCM-UHFFFAOYSA-N 0 3 436.961 4.365 50 0 IIAAHN c1csc([C@H](CNCc2cn(-c3ccccc3)nc2-c2cccnc2)N2CCOCC2)c1 ZINC000023257809 557080224 /nfs/dbraw/zinc/08/02/24/557080224.db2.gz QDEKDXQRXZMUNP-QHCPKHFHSA-N 0 3 445.592 4.159 50 0 IIAAHN CC(C)C[C@H](NC(=O)C1CCC(C)CC1)C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000004778565 557112613 /nfs/dbraw/zinc/11/26/13/557112613.db2.gz VZCRDVGYLXFPLU-JVPYDEADSA-N 0 3 427.633 4.124 50 0 IIAAHN Cc1occc1-c1nn(CN2CCN(Cc3cccc4ccccc43)CC2)c(=S)n1C ZINC000024452921 557147310 /nfs/dbraw/zinc/14/73/10/557147310.db2.gz REJORXJQMWMIBF-UHFFFAOYSA-N 0 3 433.581 4.448 50 0 IIAAHN COc1ccc(CCN(C)C[C@H](O)COC(c2ccccc2)c2ccccc2)cc1OC ZINC000025357911 557205961 /nfs/dbraw/zinc/20/59/61/557205961.db2.gz DVUOZSWYDINZHG-DEOSSOPVSA-N 0 3 435.564 4.345 50 0 IIAAHN COc1ccccc1[C@@H]1[C@H]2C(=O)N(c3ccc(Cl)cc3)C([O-])=C2ON1c1ccccc1 ZINC000102725407 557369492 /nfs/dbraw/zinc/36/94/92/557369492.db2.gz HKVSAYZUUFBPRN-YPAWHYETSA-N 0 3 434.879 4.400 50 0 IIAAHN COc1ccccc1[C@@H]1[C@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)C2ON1c1ccccc1 ZINC000102725407 557369494 /nfs/dbraw/zinc/36/94/94/557369494.db2.gz HKVSAYZUUFBPRN-YPAWHYETSA-N 0 3 434.879 4.400 50 0 IIAAHN COc1ccc([C@@H]2CN(Cc3cccn3C)C[C@@H]2CN(Cc2ccc(F)cc2)C(C)=O)cc1 ZINC000105042290 557473569 /nfs/dbraw/zinc/47/35/69/557473569.db2.gz WATQNWWNWFVCAS-KCWPFWIISA-N 0 3 449.570 4.437 50 0 IIAAHN CC1(C)CN(Cc2ccccc2)CC[C@@H]1NC(=O)CCNC(=O)c1ccc2ccccc2c1 ZINC000225759036 557773762 /nfs/dbraw/zinc/77/37/62/557773762.db2.gz SGZUPKUMYMSAEQ-VWLOTQADSA-N 0 3 443.591 4.377 50 0 IIAAHN C[N@H+](Cc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)CCC(=O)N2)C1CCCCC1 ZINC000024992251 557830204 /nfs/dbraw/zinc/83/02/04/557830204.db2.gz COOQSIKCCUJYOE-UHFFFAOYSA-N 0 3 427.570 4.137 50 0 IIAAHN C[N@@H+](Cc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)CCC(=O)N2)C1CCCCC1 ZINC000024992251 557830206 /nfs/dbraw/zinc/83/02/06/557830206.db2.gz COOQSIKCCUJYOE-UHFFFAOYSA-N 0 3 427.570 4.137 50 0 IIAAHN CCOCCCNC(=O)C1CCN(Cc2ccc(OCc3ccccc3)c(OC)c2)CC1 ZINC000006600173 562948118 /nfs/dbraw/zinc/94/81/18/562948118.db2.gz SZFHLSFAVFBXGL-UHFFFAOYSA-N 0 3 440.584 4.029 50 0 IIAAHN COc1cc(NC(=O)N[C@H](C)c2c3c(sc2-n2cccc2)CN(C)CC3)cc(OC)c1 ZINC000008583925 562949932 /nfs/dbraw/zinc/94/99/32/562949932.db2.gz KYOQFBMBDIWORM-OAHLLOKOSA-N 0 3 440.569 4.427 50 0 IIAAHN Cc1ccccc1CN1C[C@@H]2C[C@@H](c3cn(C)nc3-c3ccccc3)N3CCC[C@@]23C1=O ZINC000011873657 562979639 /nfs/dbraw/zinc/97/96/39/562979639.db2.gz DTXAXMOJMCSHIW-DPPGTGKWSA-N 0 3 426.564 4.334 50 0 IIAAHN COc1ccc(CC[N@@H+]2CCC[C@H](CN(C)Cc3cc(Cl)c([O-])c(OC)c3)C2)cc1 ZINC000055088463 563142291 /nfs/dbraw/zinc/14/22/91/563142291.db2.gz FFAJGHUXRKCSDT-LJQANCHMSA-N 0 3 432.992 4.449 50 0 IIAAHN COc1ccc(CC[N@H+]2CCC[C@H](CN(C)Cc3cc(Cl)c([O-])c(OC)c3)C2)cc1 ZINC000055088463 563142292 /nfs/dbraw/zinc/14/22/92/563142292.db2.gz FFAJGHUXRKCSDT-LJQANCHMSA-N 0 3 432.992 4.449 50 0 IIAAHN CSc1ccccc1CN1CCC(CNC(=O)C(=O)Nc2ccccc2Cl)CC1 ZINC000043942556 568743720 /nfs/dbraw/zinc/74/37/20/568743720.db2.gz FSSXBJQZPBZXKL-UHFFFAOYSA-N 0 3 431.989 4.029 50 0 IIAAHN CCCCS[C@H]1CCCC[C@@H]1OC(=O)CCN1C[C@H]2C[C@@H](C1)Cn1c(=O)cccc12 ZINC000263586683 568759437 /nfs/dbraw/zinc/75/94/37/568759437.db2.gz WXRHXRQJLTZHBC-MXNKGDRCSA-N 0 3 432.630 4.045 50 0 biogenic IIAAHN Cc1ccc(-n2ncc(C(=O)NCCCN3CCc4ccccc4C3)c2-n2cccc2)cc1 ZINC000015681281 568806515 /nfs/dbraw/zinc/80/65/15/568806515.db2.gz ZYQUNGWIGANSPX-UHFFFAOYSA-N 0 3 439.563 4.150 50 0 IIAAHN CCOC(=O)c1c(C)oc2ncnc(NCC3CCN(Cc4ccc(F)cc4)CC3)c21 ZINC000015727290 568812334 /nfs/dbraw/zinc/81/23/34/568812334.db2.gz ATLHEAGPQURGTO-UHFFFAOYSA-N 0 3 426.492 4.171 50 0 IIAAHN C[C@@H]1CSc2ccc(S(=O)(=O)[N-]c3ccc(C[NH+]4CCCCC4)cc3)cc2NC1=O ZINC000015730873 568814380 /nfs/dbraw/zinc/81/43/80/568814380.db2.gz LRZYGBLSGASCIP-MRXNPFEDSA-N 0 3 445.610 4.154 50 0 IIAAHN COc1ccc2c(c1)CCc1c-2n[nH]c1C(=O)NCC1CCN(Cc2ccc(C)cc2)CC1 ZINC000015772895 568823044 /nfs/dbraw/zinc/82/30/44/568823044.db2.gz RZFCPEWZRUJOIZ-UHFFFAOYSA-N 0 3 444.579 4.134 50 0 IIAAHN COc1ccc([C@@H](C)NC(=O)C2CCN(Cc3cn(C)c4ccccc34)CC2)cc1OC ZINC000064669609 568943507 /nfs/dbraw/zinc/94/35/07/568943507.db2.gz FFFQQCRWQMSXAI-GOSISDBHSA-N 0 3 435.568 4.285 50 0 IIAAHN Cc1ccc(CN(Cc2nc(C(=O)NCCN(C)C)co2)[C@H](C)c2ccccc2)c(C)c1 ZINC000036073579 568946445 /nfs/dbraw/zinc/94/64/45/568946445.db2.gz FNTSLLJGFZYNRN-OAQYLSRUSA-N 0 3 434.584 4.346 50 0 IIAAHN CC[C@@H]1CCCCN1CCCNc1ccc(S(=O)(=O)Cc2ccc(Cl)cc2)nn1 ZINC000064942916 568992165 /nfs/dbraw/zinc/99/21/65/568992165.db2.gz ZXZHNEAJYJQWFH-LJQANCHMSA-N 0 3 437.009 4.170 50 0 IIAAHN O=C(NC1CCN(Cc2ccccc2)CC1)c1cnn(-c2ccccc2)c1-n1cccc1 ZINC000006807025 568996268 /nfs/dbraw/zinc/99/62/68/568996268.db2.gz CRCORBWMUGBFNL-UHFFFAOYSA-N 0 3 425.536 4.057 50 0 IIAAHN O=C(NC1CCN(Cc2ccccc2)CC1)c1csc(-c2ccc(N3CCCC3)nc2)n1 ZINC000065165193 569112909 /nfs/dbraw/zinc/11/29/09/569112909.db2.gz OFNNGOFUHQZGHW-UHFFFAOYSA-N 0 3 447.608 4.200 50 0 IIAAHN O=C(NC1CCN(Cc2ccccc2)CC1)c1ccn2c(c1)nnc2-c1cc(F)cc(F)c1 ZINC000065296479 569131612 /nfs/dbraw/zinc/13/16/12/569131612.db2.gz DHDVWBBRMSZXAW-UHFFFAOYSA-N 0 3 447.489 4.069 50 0 IIAAHN Cc1ccc(C(=O)N(Cc2cccc(C)c2)c2ccc(CC(=O)NCCN(C)C)cc2)cc1 ZINC000037279340 569145533 /nfs/dbraw/zinc/14/55/33/569145533.db2.gz MMAQNYGULXZVRS-UHFFFAOYSA-N 0 3 443.591 4.371 50 0 IIAAHN Cc1ccc([O-])c(C[N@@H+]2CCC[C@H](Nc3ccc(NC(=O)OC(C)(C)C)nc3)CC2)n1 ZINC000170618061 569147029 /nfs/dbraw/zinc/14/70/29/569147029.db2.gz DXBLWQXENKCUBD-KRWDZBQOSA-N 0 3 427.549 4.304 50 0 IIAAHN Cc1ccc([O-])c(C[N@H+]2CCC[C@H](Nc3ccc(NC(=O)OC(C)(C)C)nc3)CC2)n1 ZINC000170618061 569147030 /nfs/dbraw/zinc/14/70/30/569147030.db2.gz DXBLWQXENKCUBD-KRWDZBQOSA-N 0 3 427.549 4.304 50 0 IIAAHN CCN(CC)[C@@H](CNC(=O)CSc1nc(Cc2ccccc2)c(C)[nH]1)c1ccco1 ZINC000089967806 569169292 /nfs/dbraw/zinc/16/92/92/569169292.db2.gz MDRBZFLSTZOLCS-FQEVSTJZSA-N 0 3 426.586 4.193 50 0 IIAAHN CC(C)N1CCN(c2nc3nn(-c4ccccc4)c(N)c3c(-c3ccc(Cl)cc3)n2)CC1 ZINC000037358032 569175883 /nfs/dbraw/zinc/17/58/83/569175883.db2.gz VHEDHVYUCMJOIJ-UHFFFAOYSA-N 0 3 447.974 4.249 50 0 IIAAHN Cc1ccc(C(=O)N(Cc2ccccc2)c2ccc(CC(=O)NCCN(C)C)cc2)cc1 ZINC000037556700 569200652 /nfs/dbraw/zinc/20/06/52/569200652.db2.gz IGXISTYFCBCEMV-UHFFFAOYSA-N 0 3 429.564 4.062 50 0 IIAAHN CCN(CC)[C@@H](CNC(=O)COc1ccc(C(=O)c2ccccc2)cc1)c1ccccc1 ZINC000013096712 569309619 /nfs/dbraw/zinc/30/96/19/569309619.db2.gz NRSYTLAQKFSPNA-VWLOTQADSA-N 0 3 430.548 4.496 50 0 IIAAHN COC(=O)c1ccc(C)c(NC(=O)N(CCN(C)C)Cc2ccc(Br)cc2)c1 ZINC000078698503 569318327 /nfs/dbraw/zinc/31/83/27/569318327.db2.gz DYDLXZPFNUDDQP-UHFFFAOYSA-N 0 3 448.361 4.140 50 0 IIAAHN COc1cccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc(C)cc4C)[C@@H]3C2=O)c1 ZINC000230043384 569418918 /nfs/dbraw/zinc/41/89/18/569418918.db2.gz VFKCYELEJVTKDB-RBZQAINGSA-N 0 3 428.488 4.363 50 0 IIAAHN CCN1CCN(c2ccc(NC(=O)c3cc4c(nc5sccn45)s3)c(C)c2)CC1 ZINC000029376728 569429937 /nfs/dbraw/zinc/42/99/37/569429937.db2.gz MRDORCXONROREX-UHFFFAOYSA-N 0 3 425.583 4.313 50 0 IIAAHN O[C@@]1(c2ccc3c(c2)c2c4n3CCN(Cc3ccccc3)[C@H]4CCC2)CN2CCC1CC2 ZINC000003999873 569457704 /nfs/dbraw/zinc/45/77/04/569457704.db2.gz LBWDAHMLEQZIJM-XCZPVHLTSA-N 0 3 427.592 4.448 50 0 biogenic IIAAHN COc1cccc2c1OC1(CCN(C(C)C)CC1)N1N=C(c3ccc4c(c3)OCO4)C[C@H]21 ZINC000009122175 569504155 /nfs/dbraw/zinc/50/41/55/569504155.db2.gz CGXAHJCTSKQBPT-HXUWFJFHSA-N 0 3 435.524 4.168 50 0 IIAAHN COc1ccc2c(c1)oc1c(c2=O)[C@@H](c2ccc(C(C)C)cc2)N(CCCN(C)C)C1=O ZINC000009429327 569533691 /nfs/dbraw/zinc/53/36/91/569533691.db2.gz HBNBFSOVUMQZIK-HSZRJFAPSA-N 0 3 434.536 4.422 50 0 IIAAHN O=C1C2ON(c3ccccc3)[C@H](c3ccco3)[C@H]2C(=O)N1c1ccc(Br)cc1 ZINC000009594520 569550565 /nfs/dbraw/zinc/55/05/65/569550565.db2.gz MZONRPRPYPAYIM-GUDVDZBRSA-N 0 3 439.265 4.093 50 0 IIAAHN O=C(c1ccc(CN2CCc3ccccc3C2)cc1)N1CCN(c2ccccc2F)CC1 ZINC000001151399 132237576 /nfs/dbraw/zinc/23/75/76/132237576.db2.gz OXNXVQTZXYLPED-UHFFFAOYSA-N 0 3 429.539 4.346 50 0 IIAAHN CC(=O)c1cccc(CN(CCN(C)C)C[C@H]2CCCN(Cc3ccccc3F)C2)c1 ZINC000020542357 518421978 /nfs/dbraw/zinc/42/19/78/518421978.db2.gz ZKKVCEALIMPOTL-QHCPKHFHSA-N 0 3 425.592 4.304 50 0 IIAAHN C/C=C(\C)C(=O)N1CCC([C@@H](Cc2ccccc2F)N(C)Cc2cn(C)nc2C)CC1 ZINC000020783298 518480229 /nfs/dbraw/zinc/48/02/29/518480229.db2.gz OSFUDNORONTISZ-BXOFLIMVSA-N 0 3 426.580 4.116 50 0 IIAAHN CC(=O)Nc1ccc(CN2CCC[C@H](CCC(=O)NCc3ccc(F)c(F)c3)C2)cc1 ZINC000012201241 519716475 /nfs/dbraw/zinc/71/64/75/519716475.db2.gz GWEWFMIBHNDXSU-GOSISDBHSA-N 0 3 429.511 4.232 50 0 IIAAHN CC(C)[C@@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000013048993 519798315 /nfs/dbraw/zinc/79/83/15/519798315.db2.gz UNNCITIJUFOXEZ-WIYYLYMNSA-N 0 3 448.394 4.139 50 0 IIAAHN CC(C)[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000012786281 519820014 /nfs/dbraw/zinc/82/00/14/519820014.db2.gz DQLUOFHMEKBGAP-YADHBBJMSA-N 0 3 427.976 4.048 50 0 IIAAHN CCCCN(C)CCNC(=O)CN1c2ccccc2S/C(=C\c2ccc(C)cc2)C1=O ZINC000020726561 520404328 /nfs/dbraw/zinc/40/43/28/520404328.db2.gz KHDAFOOMNYKQAU-QJOMJCCJSA-N 0 3 437.609 4.323 50 0 IIAAHN CCN(CC)[C@H](CNC(=O)C1CCN(C(=O)/C=C/c2ccccc2)CC1)c1ccccc1 ZINC000012793104 520861316 /nfs/dbraw/zinc/86/13/16/520861316.db2.gz CLOIJKMZTUFWES-KVACCUTFSA-N 0 3 433.596 4.138 50 0 IIAAHN CCOC(=O)[C@@]1(Cc2cccc(Cl)c2)CCCN(Cc2cccn2-c2ncccn2)C1 ZINC000012596565 521180179 /nfs/dbraw/zinc/18/01/79/521180179.db2.gz NRCVXZLWNIVZQZ-XMMPIXPASA-N 0 3 438.959 4.309 50 0 IIAAHN CCN(C[C@H]1CCCN(CCc2cccc(OC)c2)C1)C(=O)c1cccnc1SC ZINC000012474159 521263289 /nfs/dbraw/zinc/26/32/89/521263289.db2.gz QHAMFSPQEMQJPC-FQEVSTJZSA-N 0 3 427.614 4.229 50 0 IIAAHN CCN(C[C@H]1CCCN(CCc2cccc(OC)c2)C1)C(=O)c1cc(CC(C)C)on1 ZINC000012572322 521264278 /nfs/dbraw/zinc/26/42/78/521264278.db2.gz CSTKXBLNEASBAR-NRFANRHFSA-N 0 3 427.589 4.299 50 0 IIAAHN CCOC(=O)[C@H]1CCCN(Cc2cn(-c3ccccc3F)nc2-c2ccc(OC)cc2)C1 ZINC000012298417 521301458 /nfs/dbraw/zinc/30/14/58/521301458.db2.gz RMTPPSFFYKIMGC-IBGZPJMESA-N 0 3 437.515 4.462 50 0 IIAAHN CN(Cc1cc2ccc(Cl)cc2n(Cc2ccccn2)c1=O)C[C@@H](O)c1ccccc1 ZINC000020600848 523186343 /nfs/dbraw/zinc/18/63/43/523186343.db2.gz NCOIHVQXDDVYOU-XMMPIXPASA-N 0 3 433.939 4.264 50 0 IIAAHN COCCCN1C(=O)C(CC(=O)Nc2cc(Cl)ccc2Cl)n2c3ccccc3nc21 ZINC000023411230 523292610 /nfs/dbraw/zinc/29/26/10/523292610.db2.gz YPWITLFWXZMBDH-SFHVURJKSA-N 0 3 447.322 4.296 50 0 IIAAHN COC(=O)Cn1cc(CN[C@H]2CCCc3c2cnn3-c2ccccc2F)c2ccccc21 ZINC000012430726 523398544 /nfs/dbraw/zinc/39/85/44/523398544.db2.gz SSRBACCTCJKOLA-NRFANRHFSA-N 0 3 432.499 4.306 50 0 IIAAHN CN1C(=O)N(Cc2ccccc2)C(=O)C12CCN(Cc1cccc(-c3ccco3)c1)CC2 ZINC000014752137 523716848 /nfs/dbraw/zinc/71/68/48/523716848.db2.gz AHEGMHDFIQFDNB-UHFFFAOYSA-N 0 3 429.520 4.375 50 0 IIAAHN COc1ccc(CN(C)Cc2ccsc2)cc1OC[C@@H](O)CN(C)Cc1ccccc1 ZINC000012703867 524007370 /nfs/dbraw/zinc/00/73/70/524007370.db2.gz YWMBIIZZZGLBMV-QHCPKHFHSA-N 0 3 440.609 4.260 50 0 IIAAHN COc1ccc(Cl)cc1NC(=O)[C@@H]1C[C@@H](CC(C)C)N[C@]12C(=O)Nc1ccccc12 ZINC000035877479 524237642 /nfs/dbraw/zinc/23/76/42/524237642.db2.gz SLKDYJURTYHIJA-DLYSWHJUSA-N 0 3 427.932 4.159 50 0 IIAAHN Cc1cc(C(=O)N(C)C[C@@H]2CCCN(CCc3cccc(C(F)(F)F)c3)C2)nc(C)n1 ZINC000012372793 526221441 /nfs/dbraw/zinc/22/14/41/526221441.db2.gz WWYQSQVJQKLGPU-IBGZPJMESA-N 0 3 434.506 4.139 50 0 IIAAHN C[C@H]1CCCCN1CCNC(=O)c1c2c(nc3ccccc31)C(=O)N(C1CCCCC1)C2 ZINC000021915381 526250974 /nfs/dbraw/zinc/25/09/74/526250974.db2.gz POGIVVYSBVDGDZ-SFHVURJKSA-N 0 3 434.584 4.128 50 0 IIAAHN O[C@]1(c2ccc3c(c2)c2c4n3CCN(Cc3ccccc3)[C@@H]4CCC2)CN2CCC1CC2 ZINC000012664187 526320878 /nfs/dbraw/zinc/32/08/78/526320878.db2.gz LBWDAHMLEQZIJM-IXCJQBJRSA-N 0 3 427.592 4.448 50 0 biogenic IIAAHN O=C(c1ccc(OC2CCN(Cc3c[nH]nc3-c3ccccc3)CC2)cc1)N1CCCC1 ZINC000012302695 526706432 /nfs/dbraw/zinc/70/64/32/526706432.db2.gz IHPDKDRCCWZAEN-UHFFFAOYSA-N 0 3 430.552 4.356 50 0 IIAAHN Cc1nccn1CC[C@@H](NCc1cn(C)nc1-c1ccc2c(c1)OCCO2)c1ccccc1 ZINC000012430994 527435272 /nfs/dbraw/zinc/43/52/72/527435272.db2.gz QEQRHYPYIGEALF-HSZRJFAPSA-N 0 3 443.551 4.284 50 0 IIAAHN Cc1ncsc1CCCNCc1c(C(=O)N2CCCCCC2)nc2cc(C)ccn21 ZINC000012431224 527484979 /nfs/dbraw/zinc/48/49/79/527484979.db2.gz NGNYDUDTQWGXOD-UHFFFAOYSA-N 0 3 425.602 4.146 50 0 IIAAHN Cn1nc(C(=O)NCCN(Cc2ccco2)C2CCCC2)c2c1-c1ccccc1SC2 ZINC000020485290 527544439 /nfs/dbraw/zinc/54/44/39/527544439.db2.gz DSSZCUJRTVXNJR-UHFFFAOYSA-N 0 3 436.581 4.460 50 0 IIAAHN O=C(Cc1ccc(N(Cc2cccc(F)c2)C(=O)c2ccco2)cc1)NCCN1CCCC1 ZINC000034679917 555791062 /nfs/dbraw/zinc/79/10/62/555791062.db2.gz DEEAEMAFCJIGIJ-UHFFFAOYSA-N 0 3 449.526 4.020 50 0 IIAAHN CCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(F)cc4)[C@@H]3C2=O)cc1 ZINC000006142473 556077465 /nfs/dbraw/zinc/07/74/65/556077465.db2.gz CLDHLEJEAVKJKI-VABKMULXSA-N 0 3 432.451 4.276 50 0 IIAAHN Fc1ccc(COc2ccccc2CNCCSc2nnnn2-c2ccccc2)cc1 ZINC000009249984 556267366 /nfs/dbraw/zinc/26/73/66/556267366.db2.gz MAQOOEQPBPWXOX-UHFFFAOYSA-N 0 3 435.528 4.262 50 0 IIAAHN CN(C(=O)CC[C@H]1CCCN(Cc2nc(-c3ccccc3)cs2)C1)C1CCN(C)CC1 ZINC000011717151 556348439 /nfs/dbraw/zinc/34/84/39/556348439.db2.gz WVIIMWNPIKIHCX-HXUWFJFHSA-N 0 3 440.657 4.355 50 0 IIAAHN COc1ccccc1CCNC(=O)[C@@H]1CC12CCN(Cc1c[nH]nc1-c1ccccc1)CC2 ZINC000011789280 556354943 /nfs/dbraw/zinc/35/49/43/556354943.db2.gz IWQDUCUOGBQUJN-QHCPKHFHSA-N 0 3 444.579 4.046 50 0 IIAAHN COC(=O)c1ccc(CNCc2cn(-c3ccccc3)nc2-c2ccc3c(c2)OCO3)cc1 ZINC000011873177 556369358 /nfs/dbraw/zinc/36/93/58/556369358.db2.gz KCGDTJLTJSZDDZ-UHFFFAOYSA-N 0 3 441.487 4.344 50 0 IIAAHN Cc1noc(C)c1CC(=O)N(C)CC1CCN(CCc2cccc(C(F)(F)F)c2)CC1 ZINC000011872959 556369486 /nfs/dbraw/zinc/36/94/86/556369486.db2.gz KQCQPPUBNFPGJA-UHFFFAOYSA-N 0 3 437.506 4.266 50 0 IIAAHN CCOC(=O)[C@@]1(Cc2ccccc2)CCCN(Cc2ccc(OC)c(OC)c2OC)C1 ZINC000011873629 556369786 /nfs/dbraw/zinc/36/97/86/556369786.db2.gz QBBIXMHAVMXFJV-RUZDIDTESA-N 0 3 427.541 4.100 50 0 IIAAHN CN(C)[C@@H](CNC(=O)C1CCN(C(=O)c2cccc3ccccc32)CC1)c1ccccc1 ZINC000014188480 556387008 /nfs/dbraw/zinc/38/70/08/556387008.db2.gz QGSLYXIIUMHIAK-VWLOTQADSA-N 0 3 429.564 4.111 50 0 IIAAHN COc1ccc([C@@H](CNC(=O)c2c(C)onc2-c2c(F)cccc2Cl)N(C)C)cc1 ZINC000014244158 556403769 /nfs/dbraw/zinc/40/37/69/556403769.db2.gz RMDFJDWSHIUQCL-GOSISDBHSA-N 0 3 431.895 4.484 50 0 IIAAHN Cc1c(CN2CCC([C@H](Cc3ccccc3)N(C)C(=O)c3cccs3)CC2)cnn1C ZINC000014888440 556455812 /nfs/dbraw/zinc/45/58/12/556455812.db2.gz BQFHZMVYOPEGFQ-QHCPKHFHSA-N 0 3 436.625 4.386 50 0 IIAAHN O=C(CC[C@@H]1CCCN(Cc2cccn2-c2ncccn2)C1)NCc1ccccc1Cl ZINC000014954685 556462018 /nfs/dbraw/zinc/46/20/18/556462018.db2.gz IJCLZTCTVKBOCS-IBGZPJMESA-N 0 3 437.975 4.229 50 0 IIAAHN COc1cccc(-n2cc(CN(C)[C@H]3CCC(=O)N(Cc4ccccc4F)CC3)cn2)c1 ZINC000014984172 556472082 /nfs/dbraw/zinc/47/20/82/556472082.db2.gz RYKSTHSMGNFSGS-NRFANRHFSA-N 0 3 436.531 4.033 50 0 IIAAHN CCOC(=O)c1ccc(NC(=O)COc2ccccc2CNCCc2ccccc2)cc1 ZINC000013153175 556493021 /nfs/dbraw/zinc/49/30/21/556493021.db2.gz RQONWOGMNJSSPE-UHFFFAOYSA-N 0 3 432.520 4.213 50 0 IIAAHN CCN(Cc1c(C)nn(-c2ccc(F)cc2)c1N1CCN(C)CC1)Cc1cccc(C)c1 ZINC000034836510 556583058 /nfs/dbraw/zinc/58/30/58/556583058.db2.gz MWMIMDXUUXXBPA-UHFFFAOYSA-N 0 3 435.591 4.402 50 0 IIAAHN COc1cc(CN[C@H](C)c2ccccc2)ccc1OCc1ccc2c(c1)n(C)c(=O)n2C ZINC000016576948 556616346 /nfs/dbraw/zinc/61/63/46/556616346.db2.gz MTSIOVQXHGDULI-GOSISDBHSA-N 0 3 431.536 4.315 50 0 IIAAHN CCN1CCC[C@@H]1CNC(=O)[C@@H]1c2ccccc2C(=O)N(CC(C)C)[C@H]1c1cccs1 ZINC000248238790 556676878 /nfs/dbraw/zinc/67/68/78/556676878.db2.gz NOQABQGBSTZXBC-YSZBQJHXSA-N 0 3 439.625 4.285 50 0 IIAAHN O=C(NC1CCN(Cc2ccccc2)CC1)c1c[nH]nc1-c1cccc(Br)c1 ZINC000072329093 556726720 /nfs/dbraw/zinc/72/67/20/556726720.db2.gz LDVXOIANSGELOI-UHFFFAOYSA-N 0 3 439.357 4.234 50 0 IIAAHN Cc1cccc(-n2cc(CN3CCCN(c4ncccn4)CC3)c(-c3cccc(F)c3)n2)c1 ZINC000055359599 556740448 /nfs/dbraw/zinc/74/04/48/556740448.db2.gz YSJDUXOVQNYLGS-UHFFFAOYSA-N 0 3 442.542 4.489 50 0 IIAAHN O=C(c1cnn(-c2cccc(C(F)(F)F)c2)c1C(F)(F)F)N1CC[C@@H](N2CCCC2)C1 ZINC000060374129 556807320 /nfs/dbraw/zinc/80/73/20/556807320.db2.gz IWCIRRKOPQNAOS-OAHLLOKOSA-N 0 3 446.395 4.220 50 0 IIAAHN CCOCc1cc(CN2CCC[C@@H](N3CCN(c4ccccc4F)CC3)C2)ccc1OC ZINC000019733172 556876912 /nfs/dbraw/zinc/87/69/12/556876912.db2.gz CHSZDBVHLCYGMB-HSZRJFAPSA-N 0 3 441.591 4.157 50 0 IIAAHN O=C(CC1C(=O)N(CCc2ccccc2)c2nc3ccccc3n21)Nc1ccc(F)c(F)c1 ZINC000019962175 556955875 /nfs/dbraw/zinc/95/58/75/556955875.db2.gz IATANMOJGUGQJQ-QFIPXVFZSA-N 0 3 446.457 4.474 50 0 IIAAHN COCCCN1C(=O)C(CC(=O)Nc2ccc(Cl)cc2Cl)n2c3ccccc3nc21 ZINC000020103465 556981006 /nfs/dbraw/zinc/98/10/06/556981006.db2.gz POGNQIOBAVDRMX-GOSISDBHSA-N 0 3 447.322 4.296 50 0 IIAAHN CSc1ccc2cc(CNC[C@H]3COCCO3)c(OCc3ccccc3F)nc2c1 ZINC000082039474 557056455 /nfs/dbraw/zinc/05/64/55/557056455.db2.gz WQKVPAJUWDHARW-IBGZPJMESA-N 0 3 428.529 4.180 50 0 IIAAHN Cc1noc(C)c1CSc1ncccc1C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000023177568 557070992 /nfs/dbraw/zinc/07/09/92/557070992.db2.gz UQNRXZZTMDHEQC-UHFFFAOYSA-N 0 3 436.581 4.373 50 0 IIAAHN CC(C)c1ccc(NC(=O)CC2C(=O)N(C[C@H]3CCCO3)c3nc4ccccc4n32)cc1 ZINC000023382122 557089516 /nfs/dbraw/zinc/08/95/16/557089516.db2.gz UQSPCFMYJZDBBH-KNQAVFIVSA-N 0 3 432.524 4.255 50 0 IIAAHN Cc1ccc(NC(=O)CC2C(=O)N(C[C@H]3CCCO3)c3nc4ccccc4n32)cc1Cl ZINC000023382237 557089662 /nfs/dbraw/zinc/08/96/62/557089662.db2.gz SWQXAVPISJUWDA-UZLBHIALSA-N 0 3 438.915 4.094 50 0 IIAAHN CCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(C)cc4)[C@@H]3C2=O)cc1 ZINC000102663057 557362057 /nfs/dbraw/zinc/36/20/57/557362057.db2.gz AWTVSNZKEXJBJA-KMDXXIMOSA-N 0 3 428.488 4.445 50 0 IIAAHN COc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc(Cl)cc4)[C@@H]3C2=O)cc1 ZINC000102704656 557366163 /nfs/dbraw/zinc/36/61/63/557366163.db2.gz FOSNTVDHSDNFAX-BHDDXSALSA-N 0 3 434.879 4.400 50 0 IIAAHN CCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4cccc(OC)c4)[C@@H]3C2=O)cc1 ZINC000102707086 557366776 /nfs/dbraw/zinc/36/67/76/557366776.db2.gz MSOIFKSYWYSVLK-KMDXXIMOSA-N 0 3 444.487 4.145 50 0 IIAAHN CCCOc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2cccc(O)c2)cc1 ZINC000102734541 557372400 /nfs/dbraw/zinc/37/24/00/557372400.db2.gz QQENCQLIBAWUEO-KMDXXIMOSA-N 0 3 444.487 4.232 50 0 IIAAHN CCCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4cccc(O)c4)[C@@H]3C2=O)cc1 ZINC000102734541 557372401 /nfs/dbraw/zinc/37/24/01/557372401.db2.gz QQENCQLIBAWUEO-KMDXXIMOSA-N 0 3 444.487 4.232 50 0 IIAAHN CC(C)N(Cc1ccc(NC(=O)NC[C@](C)(O)c2ccco2)cc1)C[C@H]1CCCCO1 ZINC000108162963 557541786 /nfs/dbraw/zinc/54/17/86/557541786.db2.gz FLAHRBOCEODRJK-QPPBQGQZSA-N 0 3 429.561 4.088 50 0 IIAAHN CCN1CCN(CCCN(Cc2ccco2)C(=S)Nc2cc(Cl)ccc2C)CC1 ZINC000101214262 557545664 /nfs/dbraw/zinc/54/56/64/557545664.db2.gz GTZXJFBBKBZUKX-UHFFFAOYSA-N 0 3 435.037 4.468 50 0 IIAAHN Cc1sc(Br)c(C(=O)N2CCC(CN3C[C@H](C)O[C@@H](C)C3)CC2)c1C ZINC000241784825 557847101 /nfs/dbraw/zinc/84/71/01/557847101.db2.gz RXAYQWSDHYABQT-STQMWFEESA-N 0 3 429.424 4.089 50 0 IIAAHN Cc1ccc2c(c1)[C@H]1CN(C)CC[C@@H]1N2C(=O)COc1ccc(N(C)C(=O)C(C)(C)C)cc1 ZINC000009440419 562971184 /nfs/dbraw/zinc/97/11/84/562971184.db2.gz KQAFMCZKNKXFKS-VWNXMTODSA-N 0 3 449.595 4.217 50 0 IIAAHN COc1cccc2c1OCC(CN1CCC(C(=O)Nc3ccc(-n4cccn4)cc3)CC1)=C2 ZINC000012458655 562982204 /nfs/dbraw/zinc/98/22/04/562982204.db2.gz JHPQBYDSWMVRKJ-UHFFFAOYSA-N 0 3 444.535 4.007 50 0 IIAAHN COc1ccc2c(C)c(CCC(=O)NC[C@H](c3cccs3)N3CCCC3)c(=O)oc2c1 ZINC000025383940 568655858 /nfs/dbraw/zinc/65/58/58/568655858.db2.gz LODLMMRAKDTERK-HXUWFJFHSA-N 0 3 440.565 4.057 50 0 IIAAHN CCOC(=O)c1c(C)oc2nc(C)nc(NCC3CCN(Cc4ccccc4F)CC3)c21 ZINC000015727468 568812669 /nfs/dbraw/zinc/81/26/69/568812669.db2.gz ISYLBJXGWMLWMW-UHFFFAOYSA-N 0 3 440.519 4.480 50 0 IIAAHN COc1ccc(NC(=O)[C@@H]2C[C@@H](C(C)C)N[C@@]23C(=O)Nc2c3cc(C)cc2Cl)cc1 ZINC000015972810 568861526 /nfs/dbraw/zinc/86/15/26/568861526.db2.gz PPNMCXKNCCYTNP-WCAVRKLYSA-N 0 3 427.932 4.077 50 0 IIAAHN COCc1cc(C)nc2sc(C(=O)N3c4ccc(C)cc4[C@@H]4CN(C)CC[C@@H]43)c(N)c21 ZINC000036556785 569117628 /nfs/dbraw/zinc/11/76/28/569117628.db2.gz APVAMQAVSFCOAD-HKUYNNGSSA-N 0 3 436.581 4.090 50 0 IIAAHN O=C(c1cccnc1N1CCN[C@H](c2ccccc2)C1)N1CCC(Cc2ccccc2)CC1 ZINC000065255752 569123015 /nfs/dbraw/zinc/12/30/15/569123015.db2.gz DCHVPQWDDQIQDU-SANMLTNESA-N 0 3 440.591 4.327 50 0 IIAAHN O=C(c1ccnc(N2CCN[C@H](c3ccccc3)C2)c1)N1CCC(Cc2ccccc2)CC1 ZINC000065255911 569123062 /nfs/dbraw/zinc/12/30/62/569123062.db2.gz BYGRZSDLPIGLFD-SANMLTNESA-N 0 3 440.591 4.327 50 0 IIAAHN COCCCNC(=O)C1CCN(Cc2cc3ccccc3n2Cc2cccc(F)c2)CC1 ZINC000065315000 569135729 /nfs/dbraw/zinc/13/57/29/569135729.db2.gz FRDFSFLVDOBFIX-UHFFFAOYSA-N 0 3 437.559 4.193 50 0 IIAAHN CCN(CC)[C@H](CNC(=O)C[C@@H]1c2ccccc2C=CN1C(C)=O)c1cccc(OC)c1 ZINC000036751129 569137540 /nfs/dbraw/zinc/13/75/40/569137540.db2.gz RFFVSTJUYKNPML-JWQCQUIFSA-N 0 3 435.568 4.159 50 0 IIAAHN Cc1ccnc(NC(=O)C2CCN(C[C@@H](O)COc3ccc(-c4ccccc4)cc3)CC2)c1 ZINC000071819467 569154666 /nfs/dbraw/zinc/15/46/66/569154666.db2.gz YCWAAQOZWDSDRD-XMMPIXPASA-N 0 3 445.563 4.147 50 0 IIAAHN C[C@@H]1CCC[C@@H](N(Cc2ccc3c(c2)OCO3)Cc2cc(=O)n3ccsc3n2)[C@H]1C ZINC000252453070 569184148 /nfs/dbraw/zinc/18/41/48/569184148.db2.gz ZOWQVRUMGDZNHN-JTDSTZFVSA-N 0 3 425.554 4.312 50 0 IIAAHN CCN(C(=O)Nc1ccccc1N1C[C@H](C)O[C@@H](C)C1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000252510586 569188641 /nfs/dbraw/zinc/18/86/41/569188641.db2.gz ALGDMLUEZYZRDO-FUDKSRODSA-N 0 3 436.600 4.429 50 0 IIAAHN Cc1occc1C(=O)NC1CCN(CCCC(=O)c2ccc(Br)cc2)CC1 ZINC000253427241 569267373 /nfs/dbraw/zinc/26/73/73/569267373.db2.gz DSCQDGSYSXYKDY-UHFFFAOYSA-N 0 3 433.346 4.208 50 0 IIAAHN CN(C)CCCN1C(=O)c2oc3ccccc3c(=O)c2[C@@H]1c1cccc(Br)c1 ZINC000002393130 569297949 /nfs/dbraw/zinc/29/79/49/569297949.db2.gz YSMDAMGVTZRZIU-IBGZPJMESA-N 0 3 441.325 4.052 50 0 IIAAHN CCN1CCN(CCCNC(=O)c2cc(-c3ccc(C)c(C)c3)nc3ccccc32)CC1 ZINC000019362099 569319083 /nfs/dbraw/zinc/31/90/83/569319083.db2.gz BDLUDGCOXIIVBH-UHFFFAOYSA-N 0 3 430.596 4.276 50 0 IIAAHN COC(=O)C(C)(C)C(C)(C)NCC(=O)N1N=C(c2cccs2)C[C@@H]1c1cccs1 ZINC000079109515 569326068 /nfs/dbraw/zinc/32/60/68/569326068.db2.gz JTCUOUKOSAWCJK-OAHLLOKOSA-N 0 3 433.599 4.055 50 0 IIAAHN COc1cccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc(SC)cc4)[C@@H]3C2=O)c1 ZINC000230019929 569417416 /nfs/dbraw/zinc/41/74/16/569417416.db2.gz GWDKFFDTNYDZTC-YTFSRNRJSA-N 0 3 446.528 4.468 50 0 IIAAHN CN(CC(=O)Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1)Cc1cccs1 ZINC000057315371 569430942 /nfs/dbraw/zinc/43/09/42/569430942.db2.gz ZRIFUYHTQLIDFI-UHFFFAOYSA-N 0 3 434.609 4.141 50 0 IIAAHN CCN1CCC[C@@H]1CNC(=O)[C@H]1c2ccccc2C(=O)N(CC(C)C)[C@H]1c1cccs1 ZINC000230076538 569433359 /nfs/dbraw/zinc/43/33/59/569433359.db2.gz NOQABQGBSTZXBC-LEOXJPRUSA-N 0 3 439.625 4.285 50 0 IIAAHN CCCCN(C)CCNC(=O)c1cc(Nc2ccc(OC)cc2OC)nc2ccccc21 ZINC000003056897 569439390 /nfs/dbraw/zinc/43/93/90/569439390.db2.gz QYDCSOJVFXTMGW-UHFFFAOYSA-N 0 3 436.556 4.457 50 0 IIAAHN CCN(CC)C[C@H](NC(=O)NCc1ccc(NC(=O)c2ccco2)cc1)c1ccccc1 ZINC000030995945 569452149 /nfs/dbraw/zinc/45/21/49/569452149.db2.gz LNICZSZDYKTOLV-QFIPXVFZSA-N 0 3 434.540 4.414 50 0 IIAAHN COc1ccc(NC(=O)[C@H]2C[C@H](C(C)C)N[C@]23C(=O)Nc2c3cc(C)cc2Cl)cc1 ZINC000008971244 569492700 /nfs/dbraw/zinc/49/27/00/569492700.db2.gz PPNMCXKNCCYTNP-BOCKYXSRSA-N 0 3 427.932 4.077 50 0 IIAAHN Cc1c(C)c(=O)oc2c(C)c(O[C@H](C)C(=O)NC3CCN(Cc4ccccc4)CC3)ccc12 ZINC000009046079 569498275 /nfs/dbraw/zinc/49/82/75/569498275.db2.gz UZYSMELWUJSWRN-HXUWFJFHSA-N 0 3 448.563 4.266 50 0 IIAAHN CC[C@@H](O)CN(CC(=O)N1CCc2sccc2[C@H]1COc1ccc(C)cc1)CC(C)C ZINC000245281337 569502155 /nfs/dbraw/zinc/50/21/55/569502155.db2.gz XIYRZRKEMXNQIO-NFBKMPQASA-N 0 3 444.641 4.290 50 0 IIAAHN CCN1CCC[C@@H]1CNC(=O)[C@@H]1c2ccccc2C(=O)N(CC(C)C)[C@@H]1c1cccs1 ZINC000009432989 569534533 /nfs/dbraw/zinc/53/45/33/569534533.db2.gz NOQABQGBSTZXBC-SXSPYAJSSA-N 0 3 439.625 4.285 50 0 IIAAHN COC(=O)c1c2c(sc1NC(=O)c1cc(=O)c3ccccc3o1)C(C)(C)NC(C)(C)C2 ZINC000009639682 569555213 /nfs/dbraw/zinc/55/52/13/569555213.db2.gz IKJUMUMZLGXGIP-UHFFFAOYSA-N 0 3 440.521 4.053 50 0 IIAAHN CCN1CCC[C@H]1CNC(=O)c1cc(Nc2ccc(OC)cc2OC)nc2ccccc21 ZINC000009680630 569560163 /nfs/dbraw/zinc/56/01/63/569560163.db2.gz YWXYHMPUTHWOQI-KRWDZBQOSA-N 0 3 434.540 4.210 50 0 IIAAHN O=C(NCc1ccc(Cl)cc1)C(=O)NC[C@H](c1cccc2ccccc21)N1CCCC1 ZINC000010333892 569581055 /nfs/dbraw/zinc/58/10/55/569581055.db2.gz MFDSRIPKSNCLQO-HSZRJFAPSA-N 0 3 435.955 4.063 50 0 IIAAHN CCOc1ccccc1CN1CCC(C(=O)N2CCN(c3cccc(C)c3C)CC2)CC1 ZINC000000795521 132230446 /nfs/dbraw/zinc/23/04/46/132230446.db2.gz XXZGSLWCFUIALO-UHFFFAOYSA-N 0 3 435.612 4.263 50 0 IIAAHN CCOc1ccc(C(=O)Nc2ccc(N3CCN(CC)CC3)cc2)cc1Br ZINC000009850342 132330269 /nfs/dbraw/zinc/33/02/69/132330269.db2.gz AKUDJIKQLONINT-UHFFFAOYSA-N 0 3 432.362 4.242 50 0 IIAAHN CC(=O)c1cccc(CN2CCC[C@@H](CCC(=O)N3CCN(Cc4ccccc4)CC3)C2)c1 ZINC000012440790 518420994 /nfs/dbraw/zinc/42/09/94/518420994.db2.gz GGGFUHBWIJFDNS-VWLOTQADSA-N 0 3 447.623 4.226 50 0 IIAAHN CC(C)Cn1cc(NC(=O)NC2CCN(Cc3ccccc3)CC2)c2ccccc2c1=O ZINC000020941447 519511568 /nfs/dbraw/zinc/51/15/68/519511568.db2.gz CDNUEPDGBROSAQ-UHFFFAOYSA-N 0 3 432.568 4.444 50 0 IIAAHN CC(C)[C@@H](NCC(=O)N1c2ccccc2NC(=O)C[C@H]1C(F)(F)F)c1cccs1 ZINC000021315725 519798873 /nfs/dbraw/zinc/79/88/73/519798873.db2.gz ZLPLVMBMLKIENN-QFBILLFUSA-N 0 3 425.476 4.341 50 0 IIAAHN CCN(CC)[C@@H](CNC(=O)C1CCN(C(=O)/C=C/c2ccccc2)CC1)c1ccccc1 ZINC000012793100 520832246 /nfs/dbraw/zinc/83/22/46/520832246.db2.gz CLOIJKMZTUFWES-DACFSCGWSA-N 0 3 433.596 4.138 50 0 IIAAHN CCN(CC)[C@H](CNC(=O)c1ccccc1SCC(=O)N1CCCC1)c1ccccc1 ZINC000036063073 520865533 /nfs/dbraw/zinc/86/55/33/520865533.db2.gz XEUKLLQNCZWJMC-JOCHJYFZSA-N 0 3 439.625 4.214 50 0 IIAAHN CCC(=O)N[C@@H](c1nnc2n1CCN(Cc1ccc3c(c1)Cc1ccccc1-3)CC2)C(C)C ZINC000012191725 521176088 /nfs/dbraw/zinc/17/60/88/521176088.db2.gz KGTKFPUYCPUGDT-AREMUKBSSA-N 0 3 443.595 4.131 50 0 IIAAHN CCN(C[C@H]1CCCN(CCc2cccc(F)c2)C1)C(=O)c1ccc(C(=O)OC)cc1 ZINC000012092451 521264662 /nfs/dbraw/zinc/26/46/62/521264662.db2.gz KJBRRHNBDKRETL-FQEVSTJZSA-N 0 3 426.532 4.029 50 0 IIAAHN CCCCc1ncc(CN2CCC[C@@H](CCC(=O)NCc3ccc(OC)cc3OC)C2)[nH]1 ZINC000012316757 521294678 /nfs/dbraw/zinc/29/46/78/521294678.db2.gz OJTWEPVTVVWIKP-IBGZPJMESA-N 0 3 442.604 4.078 50 0 IIAAHN CCCCc1ncc(CN2CCC[C@H](CCC(=O)NCc3ccc(OC)cc3OC)C2)[nH]1 ZINC000012316758 521295424 /nfs/dbraw/zinc/29/54/24/521295424.db2.gz OJTWEPVTVVWIKP-LJQANCHMSA-N 0 3 442.604 4.078 50 0 IIAAHN CN(CC1CCN(CCc2ccc(F)cc2)CC1)C(=O)c1ccc2sc(N)nc2c1 ZINC000012435632 522658127 /nfs/dbraw/zinc/65/81/27/522658127.db2.gz DWTFXVIGYKXIBP-UHFFFAOYSA-N 0 3 426.561 4.044 50 0 IIAAHN COc1cc2cc(C(=O)NC[C@@H](c3cccs3)N3CCC(C)CC3)[nH]c2c(OC)c1 ZINC000012923115 523057160 /nfs/dbraw/zinc/05/71/60/523057160.db2.gz CXIIGKOJRQDJAP-IBGZPJMESA-N 0 3 427.570 4.450 50 0 IIAAHN COc1ccc(-c2nn(-c3ccccc3)cc2CN2CCN(c3ccncc3)CC2)c(F)c1 ZINC000012744909 523244310 /nfs/dbraw/zinc/24/43/10/523244310.db2.gz URZPDEYQUCHEAK-UHFFFAOYSA-N 0 3 443.526 4.404 50 0 IIAAHN CCn1cc(CN2CCC[C@@H](N3CCN(c4cccc(C(F)(F)F)c4)CC3)C2)c(C)n1 ZINC000020995047 523372957 /nfs/dbraw/zinc/37/29/57/523372957.db2.gz ORPQESXOMRTGBT-JOCHJYFZSA-N 0 3 435.538 4.017 50 0 IIAAHN COc1ccccc1CN1CCC(CN(CC(C)C)C(=O)[C@H]2Cc3ccccc3O2)CC1 ZINC000012593001 524446998 /nfs/dbraw/zinc/44/69/98/524446998.db2.gz WUDJIRMOJYPNGH-AREMUKBSSA-N 0 3 436.596 4.396 50 0 IIAAHN COc1ccc(NC(=O)CCN2CCN(C3c4ccccc4-c4ccccc43)CC2)cc1 ZINC000020766747 524480533 /nfs/dbraw/zinc/48/05/33/524480533.db2.gz CBTPZYUNNTUXBN-UHFFFAOYSA-N 0 3 427.548 4.411 50 0 IIAAHN COc1ccc(NC(=O)CC2C(=O)N(Cc3cccc(C)c3)c3nc4ccccc4n32)cc1 ZINC000021005938 524517793 /nfs/dbraw/zinc/51/77/93/524517793.db2.gz SHFIERGYMBDPEN-HSZRJFAPSA-N 0 3 440.503 4.470 50 0 IIAAHN Cc1ccc(CNc2nc(NC3CCN(Cc4ccccc4)CC3)nc3c2cnn3C)cc1 ZINC000021929515 524619134 /nfs/dbraw/zinc/61/91/34/524619134.db2.gz BOKHNBPKBAMTIC-UHFFFAOYSA-N 0 3 441.583 4.360 50 0 IIAAHN Cc1cccc2cc(CN(CCN(C)C)C(=O)/C=C/c3cccc(F)c3)c(N(C)C)nc12 ZINC000012197757 524973150 /nfs/dbraw/zinc/97/31/50/524973150.db2.gz PWUUPQHSCUTWMI-OUKQBFOZSA-N 0 3 434.559 4.352 50 0 IIAAHN COc1ccc([C@@H]2N(c3ccccc3)OC3C(=O)N(c4ccc(F)cc4)C(=O)[C@]32C)cc1 ZINC000012402532 525265553 /nfs/dbraw/zinc/26/55/53/525265553.db2.gz NMDGAVCPYORKSW-FBLLAGFSSA-N 0 3 432.451 4.276 50 0 IIAAHN COc1ccc2[nH]c([C@@H]3C[C@H]4CN(Cc5ccccc5OC)C(=O)[C@]45CCCN35)c(C)c2c1 ZINC000020996631 525480526 /nfs/dbraw/zinc/48/05/26/525480526.db2.gz ZKRFVZOGWCZQFX-UHORWHLBSA-N 0 3 445.563 4.432 50 0 IIAAHN COc1cccc(CN2CCC[C@@H](N3CCN(c4cccc(Cl)c4)CC3)C2)c1OC ZINC000020453252 525937947 /nfs/dbraw/zinc/93/79/47/525937947.db2.gz FOXYTLHYKXVJER-JOCHJYFZSA-N 0 3 429.992 4.144 50 0 IIAAHN CSc1ccc(CN2CCC[C@@H](CCC(=O)N3CCN(c4ccccn4)CC3)C2)cc1 ZINC000012754078 525991017 /nfs/dbraw/zinc/99/10/17/525991017.db2.gz NUMBKYSKIRLNLO-NRFANRHFSA-N 0 3 438.641 4.145 50 0 IIAAHN O=C(CN1CCSc2ccccc21)NCCCN(CCc1ccccc1)Cc1ccco1 ZINC000021093640 526798699 /nfs/dbraw/zinc/79/86/99/526798699.db2.gz APSQALZDUJSVEL-UHFFFAOYSA-N 0 3 449.620 4.443 50 0 IIAAHN O=C(Nc1cccc(CN2CCCC2)c1)[C@@H]1Cc2ccccc2N1C(=O)c1ccccc1 ZINC000015774136 527336270 /nfs/dbraw/zinc/33/62/70/527336270.db2.gz KXQWBFKITDMZOE-VWLOTQADSA-N 0 3 425.532 4.493 50 0 IIAAHN O=C(Nc1ccnn1C1CCN(Cc2c[nH]nc2-c2ccccc2)CC1)c1ccccc1 ZINC000012198286 527460677 /nfs/dbraw/zinc/46/06/77/527460677.db2.gz RWPRUFAYUJVWEC-UHFFFAOYSA-N 0 3 426.524 4.363 50 0 IIAAHN O=C(NC1CCN(Cc2ccccc2)CC1)c1nc(-c2ccc(N3CCCCC3)cc2)no1 ZINC000035457312 527530146 /nfs/dbraw/zinc/53/01/46/527530146.db2.gz MPKNZKZHHXNNNX-UHFFFAOYSA-N 0 3 445.567 4.121 50 0 IIAAHN Cc1ccc(CN(CCC(C)C)Cc2nc(C(=O)NCCN3CCCC3)cs2)s1 ZINC000034670226 555792733 /nfs/dbraw/zinc/79/27/33/555792733.db2.gz WWUXNLVZJRJFNM-UHFFFAOYSA-N 0 3 434.675 4.387 50 0 IIAAHN COc1ccccc1C(=O)Nc1ccc(N2CCCN(Cc3ccc(C)cc3)CC2)nc1 ZINC000034681819 555815349 /nfs/dbraw/zinc/81/53/49/555815349.db2.gz MQPQROWIRBAXJP-UHFFFAOYSA-N 0 3 430.552 4.363 50 0 IIAAHN CCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc(F)cc4)[C@@H]3C2=O)cc1 ZINC000006142474 556077486 /nfs/dbraw/zinc/07/74/86/556077486.db2.gz CLDHLEJEAVKJKI-ZRBLBEILSA-N 0 3 432.451 4.276 50 0 IIAAHN N=c1n(CCN2CCCCC2)c2ccccc2n1C[C@@H](O)c1ccc(Cl)c(Cl)c1 ZINC000008670953 556198324 /nfs/dbraw/zinc/19/83/24/556198324.db2.gz UWYSBMBUXTYGDX-OAQYLSRUSA-N 0 3 433.383 4.449 50 0 IIAAHN Cc1nc(-c2ccc(Cl)cc2)nc2sc(C(=O)N3CCCC3)c(OCCN(C)C)c21 ZINC000013691689 556281049 /nfs/dbraw/zinc/28/10/49/556281049.db2.gz PYPSNDOXFDSBBV-UHFFFAOYSA-N 0 3 444.988 4.497 50 0 IIAAHN CCOc1ccc(CN2CCC[C@H](CCC(=O)NCc3ccc(OC)cc3OC)C2)cc1 ZINC000011662097 556343601 /nfs/dbraw/zinc/34/36/01/556343601.db2.gz PQXDSGJHECNVIX-HXUWFJFHSA-N 0 3 440.584 4.411 50 0 IIAAHN CN(CC1CCN(CCc2cccc(C(F)(F)F)c2)CC1)C(=O)CCc1ccccn1 ZINC000011665305 556345652 /nfs/dbraw/zinc/34/56/52/556345652.db2.gz VCYMNQSQPOLVKA-UHFFFAOYSA-N 0 3 433.518 4.446 50 0 IIAAHN Cc1cccn2c(CN(C)CCC3CCOCC3)c(C(=O)N(C)CCc3ccccc3)nc12 ZINC000011818251 556360411 /nfs/dbraw/zinc/36/04/11/556360411.db2.gz XAORUARHHNZDPT-UHFFFAOYSA-N 0 3 448.611 4.206 50 0 IIAAHN CCOc1ccccc1CN1CCC[C@@H](CCC(=O)NCc2ccc(OC)cc2OC)C1 ZINC000011818482 556360484 /nfs/dbraw/zinc/36/04/84/556360484.db2.gz KDMOYRSXZCEQJB-FQEVSTJZSA-N 0 3 440.584 4.411 50 0 IIAAHN CN(C(=O)CC[C@@H]1CCCN(Cc2cccc(C(F)(F)F)c2)C1)C1CCN(C)CC1 ZINC000011840749 556364827 /nfs/dbraw/zinc/36/48/27/556364827.db2.gz WEPHZDNHTGOFBH-SFHVURJKSA-N 0 3 425.539 4.250 50 0 IIAAHN CCN(CC)C(=O)[C@@H]1CCCN(Cc2ccc3c(c2)CN(Cc2ccc(C)o2)CCO3)C1 ZINC000011911160 556375287 /nfs/dbraw/zinc/37/52/87/556375287.db2.gz LDXQQYKCLFPFHV-JOCHJYFZSA-N 0 3 439.600 4.063 50 0 IIAAHN CC(C)c1nc(C(=O)N(CCN(C)C)C[C@@H]2CCCN(Cc3ccccc3F)C2)cs1 ZINC000011933210 556376929 /nfs/dbraw/zinc/37/69/29/556376929.db2.gz XKROPQPGNHRUAY-LJQANCHMSA-N 0 3 446.636 4.322 50 0 IIAAHN CC(C)[C@H](NC(=O)c1ccoc1)c1nnc2n1CCN(Cc1cc3ccccc3s1)CC2 ZINC000011974943 556383257 /nfs/dbraw/zinc/38/32/57/556383257.db2.gz ZXBNHZAWOPHENP-QFIPXVFZSA-N 0 3 449.580 4.271 50 0 IIAAHN CN(C)[C@H](CNC(=O)c1cc(-c2ccc3c(c2)OCCO3)on1)c1ccc(C(C)(C)C)cc1 ZINC000032623532 556410731 /nfs/dbraw/zinc/41/07/31/556410731.db2.gz KCEUGTJNSBRYKI-OAQYLSRUSA-N 0 3 449.551 4.443 50 0 IIAAHN COc1cccc(CN2CCC3(CC2)C(=O)N(Cc2ccc4ccccc4c2)C(=O)N3C)c1 ZINC000014533876 556422218 /nfs/dbraw/zinc/42/22/18/556422218.db2.gz HKINBCCBYQGKIS-UHFFFAOYSA-N 0 3 443.547 4.277 50 0 IIAAHN CCN1CCN(c2ccc(NC(=O)Cc3csc4nc(-c5ccccc5)cn34)cc2)CC1 ZINC000032843380 556428370 /nfs/dbraw/zinc/42/83/70/556428370.db2.gz YGLQCCCSQWXESO-UHFFFAOYSA-N 0 3 445.592 4.386 50 0 IIAAHN COc1cccc(-c2cc(CC3(O)CCN(Cc4cccc5cccnc54)CC3)on2)c1 ZINC000014978685 556469988 /nfs/dbraw/zinc/46/99/88/556469988.db2.gz GKJMKWUIBFLZBR-UHFFFAOYSA-N 0 3 429.520 4.468 50 0 IIAAHN Cc1ccn2c(c1)nc(C(=O)N1CCCCCC1)c2CNC[C@H]1OCCc2ccccc21 ZINC000020149496 556576713 /nfs/dbraw/zinc/57/67/13/556576713.db2.gz OZNRBUQKSDONLU-HSZRJFAPSA-N 0 3 432.568 4.063 50 0 IIAAHN CC(C)[C@@H](NC(=O)Nc1ccccc1)C(=O)NC[C@@H](c1cccs1)N1CCC(C)CC1 ZINC000032983103 556601455 /nfs/dbraw/zinc/60/14/55/556601455.db2.gz QPPOJLPOHJSDFK-RBBKRZOGSA-N 0 3 442.629 4.484 50 0 IIAAHN COc1cc(C(=O)NC[C@H](c2ccccc2)N(C)C)cc(OC)c1OCc1ccccc1 ZINC000016599858 556616837 /nfs/dbraw/zinc/61/68/37/556616837.db2.gz XVDJFGLGBIBPJL-JOCHJYFZSA-N 0 3 434.536 4.316 50 0 IIAAHN CCCOc1ccc([C@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2CCCN(C)C)cc1 ZINC000016752099 556637816 /nfs/dbraw/zinc/63/78/16/556637816.db2.gz WTFBWQLGLXMUCP-QHCPKHFHSA-N 0 3 434.536 4.387 50 0 IIAAHN COc1ccc(C(=O)[C@H]2CCCN(C3CCN(CCc4ccccc4)CC3)C2)c(OC)c1 ZINC000019229319 556718055 /nfs/dbraw/zinc/71/80/55/556718055.db2.gz QORUNDRZDQDJBS-QFIPXVFZSA-N 0 3 436.596 4.306 50 0 IIAAHN CCN(CC(=O)NCCc1ccc(OC(F)F)cc1)[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000058078261 556756702 /nfs/dbraw/zinc/75/67/02/556756702.db2.gz GRNQZDWHNFCKSF-UGKGYDQZSA-N 0 3 445.554 4.104 50 0 IIAAHN CCCN(C(=O)c1cccc(CN2CCCC2)c1)C1CCN(C(=O)c2ccccc2)CC1 ZINC000058328842 556781303 /nfs/dbraw/zinc/78/13/03/556781303.db2.gz GLJSCRFLMOMKGK-UHFFFAOYSA-N 0 3 433.596 4.439 50 0 IIAAHN Cc1ccc([C@@H](CNC(=O)C[C@@H](NC(=O)c2ccccc2)c2ccccc2)N(C)C)cc1 ZINC000060156004 556806946 /nfs/dbraw/zinc/80/69/46/556806946.db2.gz JLUVLYPUSBXQCS-JWQCQUIFSA-N 0 3 429.564 4.275 50 0 IIAAHN CCn1c2ccccc2nc(-c2ccc(C(=O)N3CCN(C4CCCCC4)CC3)cc2)c1=O ZINC000033171712 556882604 /nfs/dbraw/zinc/88/26/04/556882604.db2.gz UDSFCABOXYUJQF-UHFFFAOYSA-N 0 3 444.579 4.174 50 0 IIAAHN COc1cc(/C=C/CN2CCC[C@H](N3CCN(c4cccc(Cl)c4)CC3)C2)ccc1O ZINC000020149579 556990895 /nfs/dbraw/zinc/99/08/95/556990895.db2.gz YJMMIKOUOSGIHT-OJZQOFKYSA-N 0 3 442.003 4.354 50 0 IIAAHN COc1ccc(-c2nn(-c3ccccc3C)cc2CN(C)CCc2cnn(C)c2)cc1F ZINC000020203465 556998057 /nfs/dbraw/zinc/99/80/57/556998057.db2.gz HTYSBQPFIDGHTM-UHFFFAOYSA-N 0 3 433.531 4.403 50 0 IIAAHN COC(=O)c1ccc(CN(C)C(=O)NC[C@H](c2cccs2)N2CCC(C)CC2)cc1 ZINC000048149683 557045622 /nfs/dbraw/zinc/04/56/22/557045622.db2.gz XUWSBWFNUCPUAH-HXUWFJFHSA-N 0 3 429.586 4.149 50 0 IIAAHN FC(F)(F)COCCCN1CCN(c2nc(-c3cccs3)nc3ccccc32)CC1 ZINC000048309666 557059958 /nfs/dbraw/zinc/05/99/58/557059958.db2.gz WMLBRBPYODXPEC-UHFFFAOYSA-N 0 3 436.503 4.449 50 0 IIAAHN CC(C)c1ccc(NC(=O)CC2C(=O)N(C[C@@H]3CCCO3)c3nc4ccccc4n32)cc1 ZINC000023382115 557089158 /nfs/dbraw/zinc/08/91/58/557089158.db2.gz UQSPCFMYJZDBBH-SIKLNZKXSA-N 0 3 432.524 4.255 50 0 IIAAHN COc1ccc(CN2C(=O)C(CC(=O)Nc3ccc(C)cc3)n3c4ccccc4nc32)cc1 ZINC000023411245 557091410 /nfs/dbraw/zinc/09/14/10/557091410.db2.gz DIZBNHNYCKAJTM-HSZRJFAPSA-N 0 3 440.503 4.470 50 0 IIAAHN CC[C@@H](C)[C@H](NC(=O)C1CCC(C)CC1)C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000004778581 557112707 /nfs/dbraw/zinc/11/27/07/557112707.db2.gz SNJNEGRMALSFKO-DXTSEPBQSA-N 0 3 427.633 4.124 50 0 IIAAHN CCN1CCN(CCCN(Cc2ccco2)C(=S)Nc2ccc(Cl)c(C)c2)CC1 ZINC000101214569 557265654 /nfs/dbraw/zinc/26/56/54/557265654.db2.gz KPDMFZRLKDIHQL-UHFFFAOYSA-N 0 3 435.037 4.468 50 0 IIAAHN O=C1C2ON(c3ccccc3)[C@H](c3ccc(O)cc3)[C@@H]2C(=O)N1c1ccc(Cl)c(F)c1 ZINC000102706882 557366929 /nfs/dbraw/zinc/36/69/29/557366929.db2.gz JOPMZDNLMORPSK-PWRODBHTSA-N 0 3 438.842 4.236 50 0 IIAAHN CCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccccc4F)[C@@H]3C2=O)cc1 ZINC000102760936 557385314 /nfs/dbraw/zinc/38/53/14/557385314.db2.gz ZPTSNQBCAKAQMC-RJGXRXQPSA-N 0 3 432.451 4.276 50 0 IIAAHN CCC[C@@H](O)CN(CCC)CC(=O)N1CCc2sccc2[C@H]1COc1ccc(C)cc1 ZINC000105002844 557470339 /nfs/dbraw/zinc/47/03/39/557470339.db2.gz OPZKSNAVAZBEPP-NFBKMPQASA-N 0 3 444.641 4.434 50 0 IIAAHN O=C(CCCN1c2ccccc2Oc2ncccc2C1=O)N1CCN(C2CCCCC2)CC1 ZINC000015680043 568805823 /nfs/dbraw/zinc/80/58/23/568805823.db2.gz FZRDIVRGOOWALO-UHFFFAOYSA-N 0 3 448.567 4.091 50 0 IIAAHN COc1cc(NC(=O)N2CCC[C@@H](CN3CCc4ccccc4C3)C2)cc(OC)c1OC ZINC000015679535 568806068 /nfs/dbraw/zinc/80/60/68/568806068.db2.gz BIKDOUBJCKSDMG-SFHVURJKSA-N 0 3 439.556 4.015 50 0 IIAAHN CCOC(=O)c1c(C)[nH]c(CCC(=O)NCC2CCN(Cc3ccc(C)cc3)CC2)c1C ZINC000085698055 568834657 /nfs/dbraw/zinc/83/46/57/568834657.db2.gz NCSFAVUAIFKTEL-UHFFFAOYSA-N 0 3 439.600 4.078 50 0 IIAAHN COc1ccc(NC(=O)[C@@H]2C[C@H](CC(C)C)N[C@]23C(=O)Nc2c3cc(C)cc2Cl)cc1 ZINC000064198141 568893477 /nfs/dbraw/zinc/89/34/77/568893477.db2.gz VRKKVUUNLQWSCP-UXSWERMXSA-N 0 3 441.959 4.467 50 0 IIAAHN CN(C)[C@H](Cn1cnc2c3c(sc2c1=O)SCC(=O)N3)c1ccc(C(C)(C)C)cc1 ZINC000035671331 568897200 /nfs/dbraw/zinc/89/72/00/568897200.db2.gz YXPMPOQRNVXUHY-OAHLLOKOSA-N 0 3 442.610 4.103 50 0 IIAAHN CCc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(O)c(OC)c4)[C@@H]3C2=O)cc1 ZINC000137472171 568909181 /nfs/dbraw/zinc/90/91/81/568909181.db2.gz UNADECRQZGYGGY-KMDXXIMOSA-N 0 3 444.487 4.014 50 0 IIAAHN CCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4cccc(OC)c4)[C@H]3C2=O)cc1 ZINC000239347323 568911276 /nfs/dbraw/zinc/91/12/76/568911276.db2.gz MSOIFKSYWYSVLK-WXFUMESZSA-N 0 3 444.487 4.145 50 0 IIAAHN CC(C)CCN(CC(=O)N1CCc2sccc2[C@H]1COc1cccc(F)c1)C[C@@H](C)O ZINC000169680258 568990725 /nfs/dbraw/zinc/99/07/25/568990725.db2.gz ZZBAMBKDMQAPGE-XMSQKQJNSA-N 0 3 448.604 4.121 50 0 IIAAHN Cc1ccc(OC[C@@H]2c3ccsc3CCN2C(=O)CN(CC(C)C)C[C@@H](C)O)c(C)c1 ZINC000036310106 568996467 /nfs/dbraw/zinc/99/64/67/568996467.db2.gz XSSXMLUOXYPENQ-IFMALSPDSA-N 0 3 444.641 4.209 50 0 IIAAHN Cc1c2cccc(C)c2oc1-c1noc(C(=O)NC2CCN(Cc3ccccc3)CC2)n1 ZINC000065010070 569088184 /nfs/dbraw/zinc/08/81/84/569088184.db2.gz SGLMOFZNIAPKNB-UHFFFAOYSA-N 0 3 430.508 4.494 50 0 IIAAHN N=C1NC(SCC(=O)Nc2cc(Cl)ccc2Cl)=N[C@H](c2c[nH]c3ccccc32)N1 ZINC000013579259 569156207 /nfs/dbraw/zinc/15/62/07/569156207.db2.gz YFCXVBZPZOFTHR-QGZVFWFLSA-N 0 3 447.351 4.119 50 0 IIAAHN COCCN(C[C@H]1CN(Cc2ccccc2F)C[C@@H]1c1cccc(F)c1)C(=O)C(C)C ZINC000037523704 569198748 /nfs/dbraw/zinc/19/87/48/569198748.db2.gz GTPXADIQRVKYFE-FYYLOGMGSA-N 0 3 430.539 4.311 50 0 IIAAHN Cc1ccc(CN(C(=O)c2ccccc2)c2ccc(CC(=O)NCCN(C)C)cc2)cc1 ZINC000037556442 569200609 /nfs/dbraw/zinc/20/06/09/569200609.db2.gz TUWKGCDPKBJFLS-UHFFFAOYSA-N 0 3 429.564 4.062 50 0 IIAAHN O=C(NCc1cccs1)[C@H]1CC12CCN(Cc1ccc(Oc3ncccn3)cc1)CC2 ZINC000015067286 569256826 /nfs/dbraw/zinc/25/68/26/569256826.db2.gz VWMDWSODWPCWMF-OAQYLSRUSA-N 0 3 434.565 4.249 50 0 IIAAHN COc1ccc([C@@H]2[C@H]3C(=O)N(c4cccc(Cl)c4)C(=O)C3ON2c2ccccc2)cc1 ZINC000018056122 569284512 /nfs/dbraw/zinc/28/45/12/569284512.db2.gz IUBITZYLXRRGMJ-VSKRKVRLSA-N 0 3 434.879 4.400 50 0 IIAAHN CCN(CC)CCN(C(=O)C[C@@H]1OCCc2ccccc21)c1ccc(Br)cn1 ZINC000328600152 569318145 /nfs/dbraw/zinc/31/81/45/569318145.db2.gz WCBRJMAQKMMJRJ-FQEVSTJZSA-N 0 3 446.389 4.223 50 0 IIAAHN CCCCN(CC(=O)N1CCC(C(=O)N2CCCCC2)CC1)[C@H](CC)c1ccccc1 ZINC000078813366 569319158 /nfs/dbraw/zinc/31/91/58/569319158.db2.gz AXXLKWGTASCSSH-XMMPIXPASA-N 0 3 427.633 4.491 50 0 IIAAHN COc1ccc(CCC(=O)NC[C@@H](c2cccs2)N2CCCC2)cc1Br ZINC000030511551 569443089 /nfs/dbraw/zinc/44/30/89/569443089.db2.gz JNQIBTFNTSYUDI-KRWDZBQOSA-N 0 3 437.403 4.405 50 0 IIAAHN Cc1noc(C)c1COc1ccc(C(=O)NC[C@@H](c2cccs2)N2CCCC2)cc1 ZINC000008390763 569462761 /nfs/dbraw/zinc/46/27/61/569462761.db2.gz IUUFMAQZAIZCHG-NRFANRHFSA-N 0 3 425.554 4.499 50 0 IIAAHN NC(=O)C1CCN(Cc2cccc(NC(=O)Cc3coc4ccc5ccccc5c34)c2)CC1 ZINC000040134773 569490549 /nfs/dbraw/zinc/49/05/49/569490549.db2.gz XABPAPKIQUAHEK-UHFFFAOYSA-N 0 3 441.531 4.465 50 0 IIAAHN O=C(NC1CCN(Cc2ccccc2)CC1)c1cnn(-c2ccc(F)cc2)c1-n1cccc1 ZINC000009211683 569511837 /nfs/dbraw/zinc/51/18/37/569511837.db2.gz TXUNKVSJUHFTEW-UHFFFAOYSA-N 0 3 443.526 4.197 50 0 IIAAHN CCOC(=O)c1ccccc1NC(=O)c1cc2cc3c4c(c2oc1=N)CCCN4CCC3 ZINC000009495433 569541124 /nfs/dbraw/zinc/54/11/24/569541124.db2.gz UFJRKTUGBSTGRJ-UHFFFAOYSA-N 0 3 431.492 4.040 50 0 IIAAHN CCOC(=O)c1c(NC(=O)c2ccc(OC)c(OC)c2)sc2c1CC(C)(C)NC2(C)C ZINC000009639833 569555285 /nfs/dbraw/zinc/55/52/85/569555285.db2.gz LHTIZBMEYUDTSQ-UHFFFAOYSA-N 0 3 446.569 4.354 50 0 IIAAHN COc1ccc2nc(N(Cc3ccccn3)C(=O)C3COc4ccccc4O3)sc2c1 ZINC000010187620 569578648 /nfs/dbraw/zinc/57/86/48/569578648.db2.gz WOOUUKFJURDALS-HXUWFJFHSA-N 0 3 433.489 4.073 50 0 IIAAHN CC(C)NC(=O)N1CCC[C@@H](c2cccc(C(=O)N3CCN(C4CCCCC4)CC3)c2)C1 ZINC000033264333 569587444 /nfs/dbraw/zinc/58/74/44/569587444.db2.gz QVWLTOSPCAWXPA-HSZRJFAPSA-N 0 3 440.632 4.075 50 0 IIAAHN CSc1ccc(CN2CCC(C(=O)N3CCN(c4ccccc4F)CC3)CC2)cc1 ZINC000000819298 132231016 /nfs/dbraw/zinc/23/10/16/132231016.db2.gz WUQUPLHOMMJMMS-UHFFFAOYSA-N 0 3 427.589 4.108 50 0 IIAAHN CCC(CC)N1CCN(c2ccc3nc(C(=O)N[C@@H]4CCc5ccccc54)ccc3n2)CC1 ZINC000009224657 132309751 /nfs/dbraw/zinc/30/97/51/132309751.db2.gz MFJWZUNQAZPCMO-JOCHJYFZSA-N 0 3 443.595 4.358 50 0 IIAAHN CCN1CCN(c2ccc(NC(=O)c3cc(C4CC4)nc4c3cnn4C(C)C)cc2)CC1 ZINC000009712365 132326940 /nfs/dbraw/zinc/32/69/40/132326940.db2.gz SSRAIDCHJAQELA-UHFFFAOYSA-N 0 3 432.572 4.284 50 0 IIAAHN CCN1CCN(c2ccc(NC(=O)c3cccc(NC(=O)c4cccs4)c3)cc2)CC1 ZINC000009716450 132327221 /nfs/dbraw/zinc/32/72/21/132327221.db2.gz XEUPHRKQZLEDGO-UHFFFAOYSA-N 0 3 434.565 4.395 50 0 IIAAHN CC(=O)c1cccc(CN2CCC(CCC(=O)N[C@@H]3CCN(Cc4ccccc4)C3)CC2)c1 ZINC000012705933 518422278 /nfs/dbraw/zinc/42/22/78/518422278.db2.gz IINOPAQUWWSCNT-HHHXNRCGSA-N 0 3 447.623 4.272 50 0 IIAAHN CC(C)CN1C(=O)c2ccccc2[C@@H](C(=O)NCCN2CCCCC2)[C@H]1c1cccs1 ZINC000020858469 519719721 /nfs/dbraw/zinc/71/97/21/519719721.db2.gz QORQFXBAUHNOLG-DHIUTWEWSA-N 0 3 439.625 4.287 50 0 IIAAHN CC(C)CN1C(=O)c2ccccc2[C@H](C(=O)NCCN2CCCCC2)[C@@H]1c1cccs1 ZINC000020858455 519720007 /nfs/dbraw/zinc/72/00/07/519720007.db2.gz QORQFXBAUHNOLG-GOTSBHOMSA-N 0 3 439.625 4.287 50 0 IIAAHN CC(C)[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000012786286 519798326 /nfs/dbraw/zinc/79/83/26/519798326.db2.gz DQLUOFHMEKBGAP-FCHUYYIVSA-N 0 3 427.976 4.048 50 0 IIAAHN CCOC(=O)c1ccccc1NC(=O)NCc1c2c(sc1-n1cccc1)CN(C)CC2 ZINC000020927193 521554725 /nfs/dbraw/zinc/55/47/25/521554725.db2.gz LHSRTPDZQUPWRQ-UHFFFAOYSA-N 0 3 438.553 4.025 50 0 IIAAHN CCN1CCN(C(=O)[C@H](C)NC[C@@H](c2c[nH]c3ccccc32)c2ccccc2Cl)CC1 ZINC000012807931 521667726 /nfs/dbraw/zinc/66/77/26/521667726.db2.gz LUULFFFVYOIHIR-GHTZIAJQSA-N 0 3 439.003 4.095 50 0 IIAAHN CCN1CCN(C(=O)[C@H](C)NC[C@H](c2c[nH]c3ccccc32)c2ccccc2Cl)CC1 ZINC000012807921 521667989 /nfs/dbraw/zinc/66/79/89/521667989.db2.gz LUULFFFVYOIHIR-RXVVDRJESA-N 0 3 439.003 4.095 50 0 IIAAHN CCN1CCN([C@H](C)CNc2nc(-c3ccccc3)nc3nc(-c4ccccc4)oc32)CC1 ZINC000041157324 521694409 /nfs/dbraw/zinc/69/44/09/521694409.db2.gz CPWNCBVEVVCHGR-LJQANCHMSA-N 0 3 442.567 4.390 50 0 IIAAHN COCc1cc(CN2CCC(CCC(=O)NCc3ccc(F)cc3)CC2)ccc1OC ZINC000012459751 522920005 /nfs/dbraw/zinc/92/00/05/522920005.db2.gz QTEMUDNXLBXWAP-UHFFFAOYSA-N 0 3 428.548 4.289 50 0 IIAAHN COc1ccc(C(=O)N(CC2CCC2)C[C@@H]2CCCO2)cc1OC1CCN(C(C)C)CC1 ZINC000012193078 523613711 /nfs/dbraw/zinc/61/37/11/523613711.db2.gz QGRONJJNDQAYGH-QHCPKHFHSA-N 0 3 444.616 4.368 50 0 IIAAHN CCc1ccc([C@@H](CNC(=O)[C@@H](NC(=O)c2ccccc2Cl)C(C)C)N(C)C)cc1 ZINC000012778051 524029456 /nfs/dbraw/zinc/02/94/56/524029456.db2.gz DHQBEAIENRRPST-YADHBBJMSA-N 0 3 429.992 4.076 50 0 IIAAHN COc1ccccc1-c1cc(C(F)(F)F)n2ncc(C(=O)OC[C@@H]3CCCCN3C)c2n1 ZINC000021788920 524267360 /nfs/dbraw/zinc/26/73/60/524267360.db2.gz WRINCUGMWHQOFV-AWEZNQCLSA-N 0 3 448.445 4.065 50 0 IIAAHN COc1ccc(OC)c(NC(=O)N(C)C[C@H]2CCCN(CCc3ccc(F)cc3)C2)c1 ZINC000012298660 524855344 /nfs/dbraw/zinc/85/53/44/524855344.db2.gz BGJBKPDLYXUISV-LJQANCHMSA-N 0 3 429.536 4.261 50 0 IIAAHN C[C@@H](NC[C@@H](c1c[nH]c2ccccc21)c1ccccc1)C(=O)NCc1ccc2c(c1)OCO2 ZINC000012862740 525477804 /nfs/dbraw/zinc/47/78/04/525477804.db2.gz GVUBDKKNTWIWLF-XMSQKQJNSA-N 0 3 441.531 4.323 50 0 IIAAHN CSc1ccc(CN2CCC[C@H](CCC(=O)N3CCN(c4ccccn4)CC3)C2)cc1 ZINC000012754084 525990293 /nfs/dbraw/zinc/99/02/93/525990293.db2.gz NUMBKYSKIRLNLO-OAQYLSRUSA-N 0 3 438.641 4.145 50 0 IIAAHN Cc1ccc(C(=O)N(CCN(C)C)C[C@@H]2CCCN(Cc3ccccc3F)C2)cc1C ZINC000012711760 526072424 /nfs/dbraw/zinc/07/24/24/526072424.db2.gz BOEYOXIHYMPAFX-JOCHJYFZSA-N 0 3 425.592 4.359 50 0 IIAAHN Cc1ccc2nc(OCc3ccccc3Cl)c(CNC[C@@H]3CCS(=O)(=O)C3)cc2c1 ZINC000011913640 526255138 /nfs/dbraw/zinc/25/51/38/526255138.db2.gz TUPYEQJWAJNDCX-KRWDZBQOSA-N 0 3 444.984 4.300 50 0 IIAAHN O=C(NCc1ccco1)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CCN(C3CCCC3)C[C@H]12 ZINC000035871486 526777777 /nfs/dbraw/zinc/77/77/77/526777777.db2.gz DKNUMTGHKPSIRT-IFMALSPDSA-N 0 3 447.501 4.220 50 0 IIAAHN O=C(Nc1ccnn1C1CCN(Cc2cccc(-n3cccn3)c2)CC1)c1cccc(F)c1 ZINC000012386276 527461822 /nfs/dbraw/zinc/46/18/22/527461822.db2.gz QBSHNUBDKFUJED-UHFFFAOYSA-N 0 3 444.514 4.297 50 0 IIAAHN O=C(NC1CCCCC1)C1CCN(Cc2cnn(-c3ccccc3)c2-n2cccc2)CC1 ZINC000021525858 527512324 /nfs/dbraw/zinc/51/23/24/527512324.db2.gz OJJLCDLFOABBTN-UHFFFAOYSA-N 0 3 431.584 4.324 50 0 IIAAHN COc1ccccc1N1CCN(C2CCN(Cc3ccc(Br)cc3)CC2)CC1 ZINC000009198841 537067904 /nfs/dbraw/zinc/06/79/04/537067904.db2.gz PANUDKRWEFBMAQ-UHFFFAOYSA-N 0 3 444.417 4.244 50 0 IIAAHN O=C(Cc1ccc(N(Cc2ccccc2)C(=O)C2CCCC2)cc1)NCCN1CCCC1 ZINC000034679850 555790823 /nfs/dbraw/zinc/79/08/23/555790823.db2.gz SDJVVMJQHAEZLE-UHFFFAOYSA-N 0 3 433.596 4.165 50 0 IIAAHN Cc1ccccc1S(=O)(=O)N(c1ccc2c(c1)OCO2)C1CCN(CCC(C)C)CC1 ZINC000034683853 555819532 /nfs/dbraw/zinc/81/95/32/555819532.db2.gz XTMJUGMCVSFCFM-UHFFFAOYSA-N 0 3 444.597 4.430 50 0 IIAAHN COc1ccc([C@@H]2N(c3ccccc3)OC3C(=O)N(c4ccc(C)cc4)C(=O)[C@]32C)cc1 ZINC000008738042 556205031 /nfs/dbraw/zinc/20/50/31/556205031.db2.gz MYERLJKKPCTZKL-ZEVJAHDQSA-N 0 3 428.488 4.445 50 0 IIAAHN COc1ccccc1CCN1CCC[C@@H](CN(C)C(=O)Cc2cn(C)c3ccccc23)C1 ZINC000011821442 556362862 /nfs/dbraw/zinc/36/28/62/556362862.db2.gz QVAATPOKFFMTTP-NRFANRHFSA-N 0 3 433.596 4.143 50 0 IIAAHN C[C@H](CCn1cccn1)NC(=O)c1ccc(OC2CCN(CCc3ccccc3)CC2)cc1 ZINC000011878246 556371000 /nfs/dbraw/zinc/37/10/00/556371000.db2.gz BTYYSVHVTYXCGZ-JOCHJYFZSA-N 0 3 446.595 4.178 50 0 IIAAHN COc1cccc(CN2C[C@@H]3C[C@@H](c4c[nH]nc4-c4ccccc4)N4CCC[C@@]34C2=O)c1 ZINC000011936445 556378789 /nfs/dbraw/zinc/37/87/89/556378789.db2.gz AABBMRBRESJSAK-CHZKFRDHSA-N 0 3 428.536 4.023 50 0 IIAAHN CCOC(=O)c1cnn(-c2nc(-c3ccccc3)cs2)c1CN[C@H]1CCOC(C)(C)C1 ZINC000012055770 556394253 /nfs/dbraw/zinc/39/42/53/556394253.db2.gz BRBRCVSJYMUOEW-KRWDZBQOSA-N 0 3 440.569 4.220 50 0 IIAAHN CN(CC1CCN(CCc2cccc(C(F)(F)F)c2)CC1)C(=O)[C@@H]1Cc2ccccc2O1 ZINC000012057785 556394887 /nfs/dbraw/zinc/39/48/87/556394887.db2.gz RHSQRVJZLYPKHH-QHCPKHFHSA-N 0 3 446.513 4.422 50 0 IIAAHN Cc1cccc(-n2cc(CN3CCC(N4CCOCC4)CC3)c(-c3cccc(F)c3)n2)c1 ZINC000012075502 556397613 /nfs/dbraw/zinc/39/76/13/556397613.db2.gz WYULDPFYTPTKFH-UHFFFAOYSA-N 0 3 434.559 4.283 50 0 IIAAHN CC(C)=CCN1CCC2(CC1)C(=O)N(CCCc1cccnc1)C(=O)N2Cc1ccccc1 ZINC000014542511 556426092 /nfs/dbraw/zinc/42/60/92/556426092.db2.gz RKWVRWGSLPBGLN-UHFFFAOYSA-N 0 3 446.595 4.279 50 0 IIAAHN CC(C)CN1CCCN(C(=O)C[C@H](NC(=O)c2ccccc2Cl)c2ccccc2)CC1 ZINC000072281878 556463193 /nfs/dbraw/zinc/46/31/93/556463193.db2.gz ASUKKZDGMBETDH-QHCPKHFHSA-N 0 3 442.003 4.392 50 0 IIAAHN Cc1nccn1-c1ccc(NC(=O)[C@H]2CCCN(Cc3ccc4nsnc4c3)C2)cc1 ZINC000015063792 556491465 /nfs/dbraw/zinc/49/14/65/556491465.db2.gz JSGACFNCXINNLO-SFHVURJKSA-N 0 3 432.553 4.036 50 0 IIAAHN CCC(=O)N[C@@H](c1nnc2n1CCN(Cc1ccc(-c3ccccc3)cc1)CC2)C(C)C ZINC000015068188 556494222 /nfs/dbraw/zinc/49/42/22/556494222.db2.gz DMGMIJOKKCEIQL-RUZDIDTESA-N 0 3 431.584 4.227 50 0 IIAAHN O=C([C@@H](NC[C@H](c1c[nH]c2ccccc21)c1ccccc1)c1ccccc1)N1CCOCC1 ZINC000013163984 556495018 /nfs/dbraw/zinc/49/50/18/556495018.db2.gz GWXPYIKRYGCINP-IGKIAQTJSA-N 0 3 439.559 4.490 50 0 IIAAHN COc1cccc(-c2nn(-c3ccccc3)cc2CN2CCC[C@@H](c3nncn3C)C2)c1 ZINC000015073920 556498181 /nfs/dbraw/zinc/49/81/81/556498181.db2.gz WYLJRLMTFUZIFM-HXUWFJFHSA-N 0 3 428.540 4.056 50 0 IIAAHN CC(=O)c1ccc(-c2cc(F)cc3c2O[C@@H](CNC(=O)[C@H]2CCCCCN2C)C3)s1 ZINC000039447084 556628815 /nfs/dbraw/zinc/62/88/15/556628815.db2.gz SIYDXNJPITUCCD-IEBWSBKVSA-N 0 3 430.545 4.051 50 0 IIAAHN CCCOc1ccc([C@@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2CCCN(C)C)cc1 ZINC000016752950 556638065 /nfs/dbraw/zinc/63/80/65/556638065.db2.gz BGKHGACJARJKQJ-JOCHJYFZSA-N 0 3 438.499 4.218 50 0 IIAAHN CCN(CC)CCN(C(=O)c1ccc2c(c1)OCCO2)c1nc2ccc(C)cc2s1 ZINC000005121780 556638094 /nfs/dbraw/zinc/63/80/94/556638094.db2.gz GLBXHZFSITUKKM-UHFFFAOYSA-N 0 3 425.554 4.365 50 0 IIAAHN O=C(NCCCOC1CCN(Cc2ccccc2)CC1)c1ccc(Br)cc1F ZINC000079013437 556736994 /nfs/dbraw/zinc/73/69/94/556736994.db2.gz KUCOLEYDKBQAFJ-UHFFFAOYSA-N 0 3 449.364 4.389 50 0 IIAAHN CCCN1CCN(c2ncnc3sc(C(=O)NC[C@@H](C)c4ccccc4)c(C)c32)CC1 ZINC000033048462 556745111 /nfs/dbraw/zinc/74/51/11/556745111.db2.gz APASSDHGSDIQIV-QGZVFWFLSA-N 0 3 437.613 4.065 50 0 IIAAHN C[C@@H]1CCC[C@H](N(Cc2ccc3c(c2)OCO3)Cc2cc(=O)n3ccsc3n2)[C@@H]1C ZINC000058175797 556769433 /nfs/dbraw/zinc/76/94/33/556769433.db2.gz ZOWQVRUMGDZNHN-MDZRGWNJSA-N 0 3 425.554 4.312 50 0 IIAAHN CCOC(=O)c1c(NC(=O)CN(C)Cc2ccccc2)sc2c1CC(C)(C)NC2(C)C ZINC000003346725 556813544 /nfs/dbraw/zinc/81/35/44/556813544.db2.gz NVNMMZLFMINFSA-UHFFFAOYSA-N 0 3 443.613 4.155 50 0 IIAAHN CN(C)Cc1ccccc1CNC(=O)c1ccc(NS(=O)(=O)/C=C\c2ccccc2)cc1 ZINC000096809615 556846006 /nfs/dbraw/zinc/84/60/06/556846006.db2.gz IRZSYDZNRKZHCE-MSUUIHNZSA-N 0 3 449.576 4.091 50 0 IIAAHN COc1ccc(CN2CCC[C@@H](N3CCN(c4cccc(Cl)c4)CC3)C2)cc1OC ZINC000019741333 556883291 /nfs/dbraw/zinc/88/32/91/556883291.db2.gz NUMATXIUOIFOMT-JOCHJYFZSA-N 0 3 429.992 4.144 50 0 IIAAHN FC(F)(F)c1ccc(-c2noc(CN3CCCN(C4Cc5ccccc5C4)CC3)n2)cc1 ZINC000019741874 556885301 /nfs/dbraw/zinc/88/53/01/556885301.db2.gz WXMIRNZROBEWFY-UHFFFAOYSA-N 0 3 442.485 4.431 50 0 IIAAHN COC(=O)c1ccc(CN2CCC[C@@H](c3nnc(SCc4ccccc4)n3C)C2)cc1 ZINC000020385634 557012360 /nfs/dbraw/zinc/01/23/60/557012360.db2.gz SWNVBMMLMFOXKX-OAQYLSRUSA-N 0 3 436.581 4.274 50 0 IIAAHN Cc1ccc(C)c(NC(=O)CC2C(=O)N(Cc3ccccn3)c3nc4ccccc4n32)c1 ZINC000023382434 557089977 /nfs/dbraw/zinc/08/99/77/557089977.db2.gz XHWOXPJSOBNKBA-JOCHJYFZSA-N 0 3 425.492 4.165 50 0 IIAAHN CCCCc1ccc(NC(=O)Cn2c(C)nc3c(c2=O)CN(Cc2ccccc2)CC3)cc1 ZINC000049400845 557096349 /nfs/dbraw/zinc/09/63/49/557096349.db2.gz MXHPHFBMQPTWPG-UHFFFAOYSA-N 0 3 444.579 4.091 50 0 IIAAHN O=C1C2ON(c3ccccc3)[C@@H](c3ccccn3)[C@@H]2C(=O)N1c1cccc(C(F)(F)F)c1 ZINC000170591368 557216581 /nfs/dbraw/zinc/21/65/81/557216581.db2.gz CABXKYXOJAOEDY-SLFFLAALSA-N 0 3 439.393 4.152 50 0 IIAAHN CCOc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(F)cc4)C(=O)C3ON2c2ccccc2)cc1 ZINC000101200970 557263272 /nfs/dbraw/zinc/26/32/72/557263272.db2.gz HQSPYXVGXOZEBV-ZRBLBEILSA-N 0 3 432.451 4.276 50 0 IIAAHN CCN(CC)[C@H](CNC(=O)/C=C/c1ccc(N2CCCC2=O)cc1)c1cccc(OC)c1 ZINC000032902755 557317069 /nfs/dbraw/zinc/31/70/69/557317069.db2.gz FTOMYIIHWHUTTF-KROBSHITSA-N 0 3 435.568 4.035 50 0 IIAAHN Cn1ccnc1[C@H]1CCCCN1C(=O)CCN1Cc2ccccc2O[C@@H](c2ccccc2)C1 ZINC000104432675 557326784 /nfs/dbraw/zinc/32/67/84/557326784.db2.gz YODDBIWSIATSSP-ILBGXUMGSA-N 0 3 444.579 4.500 50 0 IIAAHN Cc1cc2c(ccnc2N2CCC[C@@H](C(=O)N3CCN(C4CCCCC4)CC3)C2)s1 ZINC000033299561 557331134 /nfs/dbraw/zinc/33/11/34/557331134.db2.gz WZNXLACPDJJAMC-LJQANCHMSA-N 0 3 426.630 4.298 50 0 IIAAHN Cc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(O)cc4)[C@H]3C2=O)cc1Cl ZINC000102707152 557367348 /nfs/dbraw/zinc/36/73/48/557367348.db2.gz KIOTYXJJIYNXKL-BHIFYINESA-N 0 3 434.879 4.405 50 0 IIAAHN CCc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc(O)c(OC)c4)[C@H]3C2=O)cc1 ZINC000102711495 557373733 /nfs/dbraw/zinc/37/37/33/557373733.db2.gz UNADECRQZGYGGY-WXFUMESZSA-N 0 3 444.487 4.014 50 0 IIAAHN Cc1ccccc1C(=O)N(Cc1ccccc1)c1cccc(CC(=O)NCCN(C)C)c1 ZINC000037600443 557447225 /nfs/dbraw/zinc/44/72/25/557447225.db2.gz UBWARHYUTYVSJX-UHFFFAOYSA-N 0 3 429.564 4.062 50 0 IIAAHN CC[C@H](C)CN(CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(F)cc1)C[C@H](C)O ZINC000105004380 557471471 /nfs/dbraw/zinc/47/14/71/557471471.db2.gz WUMWIJAUPGVCBR-SPEDKVCISA-N 0 3 448.604 4.121 50 0 IIAAHN COCCCN1CCCN([C@@H](C(=O)Nc2ccc(OC)c(Cl)c2)c2ccccc2)CC1 ZINC000106922339 557533175 /nfs/dbraw/zinc/53/31/75/557533175.db2.gz YROVAUOQIXSKLJ-HSZRJFAPSA-N 0 3 445.991 4.073 50 0 IIAAHN CC(C)(C)OC(=O)NC1CCN(CCCC(=O)Nc2ccc3oc(C4CC4)nc3c2)CC1 ZINC000225581239 557746620 /nfs/dbraw/zinc/74/66/20/557746620.db2.gz FDLFDGQJCWSBIG-UHFFFAOYSA-N 0 3 442.560 4.413 50 0 IIAAHN CCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc(F)cc4)[C@@H]3C2=O)cc1 ZINC000229898760 557833625 /nfs/dbraw/zinc/83/36/25/557833625.db2.gz CLDHLEJEAVKJKI-YTFSRNRJSA-N 0 3 432.451 4.276 50 0 IIAAHN O=C(C1COc2ccccc2O1)N(Cc1cccnc1)c1nc2c(cc(F)cc2F)s1 ZINC000008601620 562955480 /nfs/dbraw/zinc/95/54/80/562955480.db2.gz ZKNQGHWGERWGLJ-SFHVURJKSA-N 0 3 439.443 4.343 50 0 IIAAHN c1ccc(N2CCN([C@@H]3CCCN(Cc4ccc(Oc5ncccn5)cc4)C3)CC2)cc1 ZINC000023373224 568613858 /nfs/dbraw/zinc/61/38/58/568613858.db2.gz DHMCRMMPHLXVOL-XMMPIXPASA-N 0 3 429.568 4.056 50 0 IIAAHN COc1ccc2c(C)c(CCC(=O)NC[C@@H](c3cccs3)N3CCCC3)c(=O)oc2c1 ZINC000025383944 568655884 /nfs/dbraw/zinc/65/58/84/568655884.db2.gz LODLMMRAKDTERK-FQEVSTJZSA-N 0 3 440.565 4.057 50 0 IIAAHN CN(CC1CCN(C[C@H](O)c2ccccc2)CC1)C(=O)COc1ccc2ccccc2c1 ZINC000083859190 568783833 /nfs/dbraw/zinc/78/38/33/568783833.db2.gz HLMPUXQWTCJCRB-SANMLTNESA-N 0 3 432.564 4.123 50 0 IIAAHN Cc1cc2c(cc1S(=O)(=O)NCCCN1CCC(C)CC1)[nH]c1c2C(=O)CC(C)(C)C1 ZINC000015733765 568816048 /nfs/dbraw/zinc/81/60/48/568816048.db2.gz IHEPRBRRQWBLTQ-UHFFFAOYSA-N 0 3 445.629 4.032 50 0 IIAAHN COc1cccc(N2C(=O)C3ON(c4ccc(Cl)cc4)[C@@H](c4cccs4)[C@H]3C2=O)c1 ZINC000101879395 568837233 /nfs/dbraw/zinc/83/72/33/568837233.db2.gz ZAYSVDYPHSILKN-HSALFYBXSA-N 0 3 440.908 4.461 50 0 IIAAHN COc1ccccc1N1CCN(C(=O)CN(Cc2ccc(F)cc2)C2CCCCC2)CC1 ZINC000026867130 568922492 /nfs/dbraw/zinc/92/24/92/568922492.db2.gz MBLRARBEBUHZGF-UHFFFAOYSA-N 0 3 439.575 4.318 50 0 IIAAHN CCCN(CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(C(C)C)cc1)C[C@H](C)O ZINC000036309242 568995816 /nfs/dbraw/zinc/99/58/16/568995816.db2.gz DQMWZDUHGVKYEW-CVDCTZTESA-N 0 3 444.641 4.469 50 0 IIAAHN CC(C)OC[C@H](O)CN(Cc1c(-c2ccccc2)noc1N1CCCCC1)CC1CC1 ZINC000036313040 568998125 /nfs/dbraw/zinc/99/81/25/568998125.db2.gz JNOFZXICWRFDQQ-JOCHJYFZSA-N 0 3 427.589 4.330 50 0 IIAAHN Cc1nc(-c2ccccc2)nc(N2CCN(C[C@H](O)C(C)C)CC2)c1Cc1ccccc1 ZINC000036340450 569078645 /nfs/dbraw/zinc/07/86/45/569078645.db2.gz FGXGFAGQWNRBKV-VWLOTQADSA-N 0 3 430.596 4.182 50 0 IIAAHN CCc1nc2c(c(=O)n1CC(=O)Nc1ccc(C(C)C)cc1)CN(Cc1ccccc1)CC2 ZINC000065153528 569111878 /nfs/dbraw/zinc/11/18/78/569111878.db2.gz NQXHYVPZPMLDPO-UHFFFAOYSA-N 0 3 444.579 4.126 50 0 IIAAHN Cc1cc(-c2nnc(-c3ccccc3)o2)c(C)n1CC(=O)N1CCN(C2CCCCC2)CC1 ZINC000065194876 569114816 /nfs/dbraw/zinc/11/48/16/569114816.db2.gz KIYUOIVPWQFPLM-UHFFFAOYSA-N 0 3 447.583 4.299 50 0 IIAAHN CC1CCN([C@H](CNC(=O)c2ccc(-c3cccs3)[nH]c2=O)c2cccs2)CC1 ZINC000065589695 569139947 /nfs/dbraw/zinc/13/99/47/569139947.db2.gz YQQOUUPIUIEVMU-GOSISDBHSA-N 0 3 427.595 4.368 50 0 IIAAHN O=C(NCCSc1ccc(Cl)cc1)[C@H]1CCCN1C1CCN(CC(F)(F)F)CC1 ZINC000089793776 569164002 /nfs/dbraw/zinc/16/40/02/569164002.db2.gz PVJAQEZGQOQIKP-GOSISDBHSA-N 0 3 449.970 4.039 50 0 IIAAHN Nc1c2c(nn1-c1ccccc1)nc(NCCN1CCCCC1)nc2-c1cccc(F)c1 ZINC000037359132 569176999 /nfs/dbraw/zinc/17/69/99/569176999.db2.gz HWTLMRDCTRLMTP-UHFFFAOYSA-N 0 3 431.519 4.102 50 0 IIAAHN Cc1ccc(NC(=O)N2CCC3(CC2)C[C@@H](N2CCN(CC(C)C)CC2)CCO3)cc1C ZINC000581819782 569211580 /nfs/dbraw/zinc/21/15/80/569211580.db2.gz KSZLSZGSGGDULQ-DEOSSOPVSA-N 0 3 442.648 4.123 50 0 IIAAHN CN(C)CCCN1C(=O)c2oc3ccccc3c(=O)c2[C@H]1c1cccc(Br)c1 ZINC000002393131 569298000 /nfs/dbraw/zinc/29/80/00/569298000.db2.gz YSMDAMGVTZRZIU-LJQANCHMSA-N 0 3 441.325 4.052 50 0 IIAAHN CCCCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccncc4)[C@@H]3C2=O)cc1 ZINC000002448092 569304606 /nfs/dbraw/zinc/30/46/06/569304606.db2.gz IOKLKWPWAMGOPM-KMDXXIMOSA-N 0 3 443.503 4.312 50 0 IIAAHN Cc1nn(Cc2c(Cl)cccc2Cl)c(C)c1CNCCc1nnc2ccccn21 ZINC000013109887 569310361 /nfs/dbraw/zinc/31/03/61/569310361.db2.gz DIVGMJGYAOUBAX-UHFFFAOYSA-N 0 3 429.355 4.230 50 0 IIAAHN O=C(NCc1ccc(F)cc1)c1nnc(-c2ccc(CN3CCc4ccccc4C3)cc2)o1 ZINC000013364274 569314100 /nfs/dbraw/zinc/31/41/00/569314100.db2.gz WCECXGIQMBUTHA-UHFFFAOYSA-N 0 3 442.494 4.364 50 0 IIAAHN CCN(CC)CCn1c2ccccc2n(CCOc2ccc(Br)cc2)c1=N ZINC000020069482 569333316 /nfs/dbraw/zinc/33/33/16/569333316.db2.gz DXRZLTCZTACWRC-UHFFFAOYSA-N 0 3 431.378 4.106 50 0 IIAAHN COc1ccc([C@@H]2C3=C(NCCN=C3c3ccccc3)C(=O)N2c2ccccc2)cc1OC ZINC000095101395 569358209 /nfs/dbraw/zinc/35/82/09/569358209.db2.gz ANUOAPLVTHBNOG-AREMUKBSSA-N 0 3 439.515 4.138 50 0 IIAAHN CCN(C(=O)Nc1cccn(Cc2ccc(F)cc2)c1=O)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000095942681 569375544 /nfs/dbraw/zinc/37/55/44/569375544.db2.gz OIKVKTRDLRYAOV-HSZRJFAPSA-N 0 3 448.542 4.164 50 0 IIAAHN CCN(C(=O)Nc1cc(Cl)ccc1N1CCOCC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000095942388 569375596 /nfs/dbraw/zinc/37/55/96/569375596.db2.gz PARVRVPTSHBABC-OAQYLSRUSA-N 0 3 442.991 4.305 50 0 IIAAHN O=C1C2ON(c3ccccc3)[C@H](c3ccncc3)[C@@H]2C(=O)N1c1c(Cl)cccc1Cl ZINC000230017061 569417440 /nfs/dbraw/zinc/41/74/40/569417440.db2.gz MYCSDMQSSHIWLC-NLWGTHIKSA-N 0 3 440.286 4.440 50 0 IIAAHN COc1ccc(Cl)cc1NC(=O)[C@H]1C[C@H](C(C)C)N[C@]12C(=O)Nc1ccc(Cl)cc12 ZINC000057140671 569429771 /nfs/dbraw/zinc/42/97/71/569429771.db2.gz ZUGIJNRMGOMXBI-JLDZCNIISA-N 0 3 448.350 4.422 50 0 IIAAHN CN(C(=O)c1cc2cc(Br)cc(Br)c2o1)C1CCN(C)CC1 ZINC000003180201 569441338 /nfs/dbraw/zinc/44/13/38/569441338.db2.gz GAJKVTKAIWCFAQ-UHFFFAOYSA-N 0 3 430.140 4.124 50 0 IIAAHN CN(C)Cc1ccc(-c2ccccc2CNC(=O)[C@H]2CC(=O)N(c3ccccc3F)C2)cc1 ZINC000031077707 569453179 /nfs/dbraw/zinc/45/31/79/569453179.db2.gz HWMOQDXQLDJIOP-QFIPXVFZSA-N 0 3 445.538 4.224 50 0 IIAAHN CCOC(=O)c1ccc(NC(=S)N2CCN(C34CC5CC(CC(C5)C3)C4)CC2)cc1 ZINC000004185361 569460766 /nfs/dbraw/zinc/46/07/66/569460766.db2.gz LLISBPCTJRGUKD-UHFFFAOYSA-N 0 3 427.614 4.147 50 0 IIAAHN CC[C@@H](O)CN(CC(=O)N1CCc2sccc2[C@H]1COc1cccc(C)c1)CC1CC1 ZINC000245279153 569502000 /nfs/dbraw/zinc/50/20/00/569502000.db2.gz FKTPIQFLWJFSKO-NFBKMPQASA-N 0 3 442.625 4.044 50 0 IIAAHN CCN(CC)CCN(C(=O)Cc1ccc2c(c1)OCO2)c1nc2c(cc(F)cc2F)s1 ZINC000009521037 569544432 /nfs/dbraw/zinc/54/44/32/569544432.db2.gz HHWBUBGJCBVLNL-UHFFFAOYSA-N 0 3 447.507 4.221 50 0 IIAAHN Cc1ccc2c(c1)-c1c(cnn1CC(=O)NCCCN(Cc1ccco1)C1CCCC1)CO2 ZINC000009777074 569567114 /nfs/dbraw/zinc/56/71/14/569567114.db2.gz AXDZJCZELCQVIM-UHFFFAOYSA-N 0 3 448.567 4.295 50 0 IIAAHN CN(CC(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1Cl)C1CCCCCC1 ZINC000009885501 569572878 /nfs/dbraw/zinc/57/28/78/569572878.db2.gz OBSCOZYZQVOAIK-UHFFFAOYSA-N 0 3 442.025 4.108 50 0 IIAAHN C[C@H](c1nccs1)N1C(=O)c2cccc(N3CCN(C4CCCCCC4)CC3)c2C1=O ZINC000011787376 132339842 /nfs/dbraw/zinc/33/98/42/132339842.db2.gz ILGYTTZKVPPRNY-QGZVFWFLSA-N 0 3 438.597 4.345 50 0 IIAAHN CC(C)[C@@H](NCC(=O)NCCc1nc2ccccc2s1)c1ccc2c(c1)OCCCO2 ZINC000016695796 519798801 /nfs/dbraw/zinc/79/88/01/519798801.db2.gz ZDWGNGPMJNJDPL-XMMPIXPASA-N 0 3 439.581 4.103 50 0 IIAAHN CC(C)c1nc(CNCc2ccc(OC[C@@H](O)CN(C)Cc3ccccc3)cc2)cs1 ZINC000012704799 519863956 /nfs/dbraw/zinc/86/39/56/519863956.db2.gz CKVWESMYPLAJIR-QHCPKHFHSA-N 0 3 439.625 4.428 50 0 IIAAHN CC1CCN(c2nnc(-n3cccc3CN3CCN(C4CCCCC4)CC3)s2)CC1 ZINC000020576378 521051269 /nfs/dbraw/zinc/05/12/69/521051269.db2.gz LXYPCXREEIBXLW-UHFFFAOYSA-N 0 3 428.650 4.015 50 0 IIAAHN CCN1CCN(CCOc2ccc3c(C)c(-c4ccc(Cl)cc4)c(=O)oc3c2)CC1 ZINC000020591672 521684070 /nfs/dbraw/zinc/68/40/70/521684070.db2.gz GQKBNHOLKPYZGP-UHFFFAOYSA-N 0 3 426.944 4.438 50 0 IIAAHN COC(=O)c1ccc(CN2CCC(CCC(=O)Nc3ccc(OC)cc3OC)CC2)cc1 ZINC000012430681 522007389 /nfs/dbraw/zinc/00/73/89/522007389.db2.gz FNIQJHAEQHYQNU-UHFFFAOYSA-N 0 3 440.540 4.121 50 0 IIAAHN CN(Cc1cc2ccc(Cl)cc2n(Cc2ccccn2)c1=O)C[C@H](O)c1ccccc1 ZINC000020600849 523185156 /nfs/dbraw/zinc/18/51/56/523185156.db2.gz NCOIHVQXDDVYOU-DEOSSOPVSA-N 0 3 433.939 4.264 50 0 IIAAHN CCn1nc(C)c(CN2CCC[C@H](N3CCN(c4cccc(C(F)(F)F)c4)CC3)C2)c1C ZINC000020906335 523640367 /nfs/dbraw/zinc/64/03/67/523640367.db2.gz RVZLDVHIPVOFGG-QFIPXVFZSA-N 0 3 449.565 4.325 50 0 IIAAHN C[C@@H](CCn1cccn1)NCc1c(C(=O)N2CCCCCCC2)nc2ccc(Cl)cn21 ZINC000012446953 524551854 /nfs/dbraw/zinc/55/18/54/524551854.db2.gz ZWRPIEKLALQDQP-SFHVURJKSA-N 0 3 442.995 4.159 50 0 IIAAHN C[C@]1(C2CCN(Cc3cc4ccccc4o3)CC2)NC(=O)N(C2Cc3ccccc3C2)C1=O ZINC000012213192 525239515 /nfs/dbraw/zinc/23/95/15/525239515.db2.gz ACRUXTXGDBUXKW-HHHXNRCGSA-N 0 3 443.547 4.123 50 0 IIAAHN COc1ccc([C@H](CNC(=O)c2cc(C3CC3)nc3c2cnn3C(C)C)N2CCCC2)cc1 ZINC000012681106 525358712 /nfs/dbraw/zinc/35/87/12/525358712.db2.gz SYZIKXOAWZSJDO-DEOSSOPVSA-N 0 3 447.583 4.465 50 0 IIAAHN COc1ccc([C@H]2CCCCCN2CC(=O)NC2CCN(Cc3ccccc3)CC2)cc1 ZINC000012922634 525408914 /nfs/dbraw/zinc/40/89/14/525408914.db2.gz CUDOVPVEVJMCET-AREMUKBSSA-N 0 3 435.612 4.393 50 0 IIAAHN COc1cccc(CN2CCC[C@H](c3ccnc(SCCN4CCCC4)n3)C2)c1OC ZINC000012217449 525942543 /nfs/dbraw/zinc/94/25/43/525942543.db2.gz OYZIODDAVVDYRU-IBGZPJMESA-N 0 3 442.629 4.061 50 0 IIAAHN O=C1CCCCN1CCNCc1cn(-c2ccc(F)cc2)nc1-c1ccccc1Cl ZINC000012573630 526972285 /nfs/dbraw/zinc/97/22/85/526972285.db2.gz AKNDAIJLDBAXDO-UHFFFAOYSA-N 0 3 426.923 4.434 50 0 IIAAHN O=C([N-]c1c(F)c(F)cc(F)c1F)c1cnn(-c2cccc(F)c2)c1C1CC[NH2+]CC1 ZINC000020941278 527090798 /nfs/dbraw/zinc/09/07/98/527090798.db2.gz YWMQGEKWCQRZBL-UHFFFAOYSA-N 0 3 436.384 4.287 50 0 IIAAHN O=c1c(CNC[C@H]2COc3ccccc3O2)cc2ccc(Cl)cc2n1Cc1ccccn1 ZINC000015001442 527451052 /nfs/dbraw/zinc/45/10/52/527451052.db2.gz OAHTUAVYEYWAEO-NRFANRHFSA-N 0 3 447.922 4.028 50 0 IIAAHN O=C(NC1CCN(Cc2ccccc2)CC1)[C@H]1CCCC[C@H]1C(=O)N1CCc2ccccc21 ZINC000022407058 527530306 /nfs/dbraw/zinc/53/03/06/527530306.db2.gz AODQPNYWAZRQLT-LOSJGSFVSA-N 0 3 445.607 4.163 50 0 IIAAHN Cn1ncc2c1nc(N1CCN(C3CCCCC3)CC1)nc2NCc1ccccc1Cl ZINC000021929212 527581492 /nfs/dbraw/zinc/58/14/92/527581492.db2.gz OREMXWZCXXFWDR-UHFFFAOYSA-N 0 3 439.995 4.084 50 0 IIAAHN Cn1ncc2c1nc(NC1CCN(Cc3ccccc3)CC1)nc2Nc1ccc(F)cc1 ZINC000021928557 527582944 /nfs/dbraw/zinc/58/29/44/527582944.db2.gz LNAZEDIMWGMNPR-UHFFFAOYSA-N 0 3 431.519 4.323 50 0 IIAAHN FC(F)(F)c1cccc(N2CCN([C@H]3CCCN(Cc4ccc5nonc5c4)C3)CC2)c1 ZINC000020907224 527685567 /nfs/dbraw/zinc/68/55/67/527685567.db2.gz CPMNBWAOYAQANL-FQEVSTJZSA-N 0 3 445.489 4.028 50 0 IIAAHN C/C=C/c1ccc(OC[C@@H](O)CN(C)Cc2ccc(OC(F)F)c(OC)c2)c(OC)c1 ZINC000009585707 555591801 /nfs/dbraw/zinc/59/18/01/555591801.db2.gz ZYMYUMITYWHVDK-QWNKOJSDSA-N 0 3 437.483 4.210 50 0 IIAAHN O=C(C1CCCC1)N1C[C@H](CN2CCN(c3ccc(F)cc3)CC2)[C@@H](c2ccccc2)C1 ZINC000034697677 555811156 /nfs/dbraw/zinc/81/11/56/555811156.db2.gz OXNOJVNGVJYKQR-JYFHCDHNSA-N 0 3 435.587 4.380 50 0 IIAAHN CN(C)CCCN1C(=O)c2oc3ccc(Br)cc3c(=O)c2[C@@H]1c1ccccc1 ZINC000002890447 555859628 /nfs/dbraw/zinc/85/96/28/555859628.db2.gz IFDQTFHJXVXPEW-IBGZPJMESA-N 0 3 441.325 4.052 50 0 IIAAHN CCc1ccc2nc(N3CCC(C(=O)NCCN(C)Cc4ccccc4)CC3)sc2c1 ZINC000004757401 556009769 /nfs/dbraw/zinc/00/97/69/556009769.db2.gz KMFYXRULBYVKFQ-UHFFFAOYSA-N 0 3 436.625 4.323 50 0 IIAAHN CCOc1cccc([C@@H]2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2CCCN(C)C)c1 ZINC000002704251 556123623 /nfs/dbraw/zinc/12/36/23/556123623.db2.gz QXNAVMIBCPMVEE-HSZRJFAPSA-N 0 3 434.536 4.305 50 0 IIAAHN CCc1ccc([C@@H](CNC(=O)CSc2ncnc3sc(C)c(C)c32)N(C)C)cc1 ZINC000032732780 556305570 /nfs/dbraw/zinc/30/55/70/556305570.db2.gz YIEJVCSURXTTNF-GOSISDBHSA-N 0 3 428.627 4.382 50 0 IIAAHN CC(C)c1ccc(CN2CCc3nnc([C@H](C)NC(=O)CCc4ccccc4)n3CC2)cc1 ZINC000011782206 556351016 /nfs/dbraw/zinc/35/10/16/556351016.db2.gz OZMMAFGQGISWLS-NRFANRHFSA-N 0 3 445.611 4.270 50 0 IIAAHN Cc1ccccc1C(=O)N[C@H](C)c1nnc2n1CCN(Cc1cc3ccccc3s1)CC2 ZINC000011814448 556357637 /nfs/dbraw/zinc/35/76/37/556357637.db2.gz YIHVIMNWQXNXHE-GOSISDBHSA-N 0 3 445.592 4.351 50 0 IIAAHN Cc1cccc(CNC(=O)[C@H]2CC23CCN(Cc2cnc(-c4ccccc4)s2)CC3)n1 ZINC000011840818 556365128 /nfs/dbraw/zinc/36/51/28/556365128.db2.gz LVVBEEGTBWBDSB-JOCHJYFZSA-N 0 3 432.593 4.432 50 0 IIAAHN COc1ccc(CNC(=O)CC[C@H]2CCCN(Cc3ccccc3OC)C2)c(OC)c1 ZINC000011841947 556365460 /nfs/dbraw/zinc/36/54/60/556365460.db2.gz UGLQHBPBGUJBJY-LJQANCHMSA-N 0 3 426.557 4.021 50 0 IIAAHN CC(C)c1nc(C(=O)N(CCN(C)C)C[C@H]2CCCN(Cc3ccccc3F)C2)cs1 ZINC000011933211 556376891 /nfs/dbraw/zinc/37/68/91/556376891.db2.gz XKROPQPGNHRUAY-IBGZPJMESA-N 0 3 446.636 4.322 50 0 IIAAHN COc1ccc(CN2CCC([C@H](Cc3ccccc3)N(C)C(=O)c3ccn(C)n3)CC2)cc1 ZINC000012040321 556390848 /nfs/dbraw/zinc/39/08/48/556390848.db2.gz QVYIIZWKWPYGLL-SANMLTNESA-N 0 3 446.595 4.024 50 0 IIAAHN COC(=O)c1ccc(CN2CCC(CCC(=O)NCc3cccc(Cl)c3)CC2)cc1 ZINC000012050072 556392119 /nfs/dbraw/zinc/39/21/19/556392119.db2.gz UYCSQLDPJOQBKV-UHFFFAOYSA-N 0 3 428.960 4.435 50 0 IIAAHN Cc1ccc(CN2CCC3(CC2)C(=O)N(Cc2ccccn2)C(=O)N3CC(C)C)cc1C ZINC000014532690 556421205 /nfs/dbraw/zinc/42/12/05/556421205.db2.gz OCERPJODOBPLNZ-UHFFFAOYSA-N 0 3 434.584 4.153 50 0 IIAAHN Cc1ccc(CN2CC[C@H](N3CCN(c4nc5ccccc5s4)CC3)CCC2=O)cc1 ZINC000015003164 556480930 /nfs/dbraw/zinc/48/09/30/556480930.db2.gz ADIFSPPRFDOTON-OAQYLSRUSA-N 0 3 434.609 4.308 50 0 IIAAHN COc1ccc(OC)c(NC(=O)N(C)C[C@H]2CCCN(CCc3ccccc3OC)C2)c1 ZINC000015073110 556497444 /nfs/dbraw/zinc/49/74/44/556497444.db2.gz BZQOQRRKNJXPSI-LJQANCHMSA-N 0 3 441.572 4.131 50 0 IIAAHN COc1ccc(NC(=O)[C@H]2C[C@H](CC(C)C)N[C@]23C(=O)Nc2c3cccc2Cl)cc1 ZINC000013592348 556530422 /nfs/dbraw/zinc/53/04/22/556530422.db2.gz GJKGMNFYICOOEJ-HOSQHVHZSA-N 0 3 427.932 4.159 50 0 IIAAHN O=C1C2ON(c3ccccc3)[C@H](c3ccc(O)cc3)[C@H]2C(=O)N1c1ccc(Cl)c(F)c1 ZINC000013658341 556546411 /nfs/dbraw/zinc/54/64/11/556546411.db2.gz JOPMZDNLMORPSK-NJDAHSKKSA-N 0 3 438.842 4.236 50 0 IIAAHN CCc1c(C)sc(NC(=S)NC2CCN(Cc3ccccc3)CC2)c1C(=O)OC ZINC000016361131 556602340 /nfs/dbraw/zinc/60/23/40/556602340.db2.gz GUCGBCDYLMXYAX-UHFFFAOYSA-N 0 3 431.627 4.357 50 0 IIAAHN CC(=O)c1ccc(-c2cc(F)cc3c2O[C@@H](CNC(=O)[C@@H]2CCCCCN2C)C3)s1 ZINC000039447083 556628668 /nfs/dbraw/zinc/62/86/68/556628668.db2.gz SIYDXNJPITUCCD-MJGOQNOKSA-N 0 3 430.545 4.051 50 0 IIAAHN CCNC(=O)[C@@H]1C[C@H](NCc2cccc(Oc3ccccc3)c2)CN1Cc1ccccc1 ZINC000039550846 556629416 /nfs/dbraw/zinc/62/94/16/556629416.db2.gz VNVOXSDGGNBZLT-OZXSUGGESA-N 0 3 429.564 4.348 50 0 IIAAHN COc1ccc([C@@H]2CN(Cc3cccn3C)C[C@H]2CN(Cc2ccc(F)cc2)C(C)=O)cc1 ZINC000248157305 556669821 /nfs/dbraw/zinc/66/98/21/556669821.db2.gz WATQNWWNWFVCAS-HOFKKMOUSA-N 0 3 449.570 4.437 50 0 IIAAHN CCOc1ccccc1CN1CCC[C@@H](c2ccnc(SCCN3CCCC3)n2)C1 ZINC000011910321 556670065 /nfs/dbraw/zinc/67/00/65/556670065.db2.gz JAKSYSAYUARDAT-HXUWFJFHSA-N 0 3 426.630 4.443 50 0 IIAAHN COc1ccc([C@H]2[C@H](COC(=O)c3cc(N4CCOC4=O)ccc3F)CCCN2C)cc1 ZINC000078989005 556736505 /nfs/dbraw/zinc/73/65/05/556736505.db2.gz WNDXHJZUXMJBKW-JTSKRJEESA-N 0 3 442.487 4.031 50 0 IIAAHN CCOc1ccc(C(=O)CCC(=O)Nc2nc3ccccc3n2CCN(CC)CC)cc1 ZINC000010653105 556745350 /nfs/dbraw/zinc/74/53/50/556745350.db2.gz FNQPNVIXSLNQGC-UHFFFAOYSA-N 0 3 436.556 4.378 50 0 IIAAHN C[C@@H](CNC(=O)C[C@@H](NC(=O)c1ccccc1Cl)c1ccccc1)N1CCC(C)CC1 ZINC000058024032 556754880 /nfs/dbraw/zinc/75/48/80/556754880.db2.gz HVOUTZYDDZITHV-WMZHIEFXSA-N 0 3 442.003 4.438 50 0 IIAAHN C[C@@H](Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1)C(=O)N1CCc2ccccc21 ZINC000058170525 556767951 /nfs/dbraw/zinc/76/79/51/556767951.db2.gz YQTPGBFUAGZIPB-JOCHJYFZSA-N 0 3 440.591 4.399 50 0 IIAAHN Cc1ccc([C@@H](CNC(=O)C[C@H](NC(=O)c2ccccc2)c2ccccc2)N(C)C)cc1 ZINC000060155999 556806970 /nfs/dbraw/zinc/80/69/70/556806970.db2.gz JLUVLYPUSBXQCS-LOSJGSFVSA-N 0 3 429.564 4.275 50 0 IIAAHN O=C(CC1C(=O)N(Cc2ccccn2)c2nc3ccccc3n21)Nc1ccccc1Cl ZINC000020103537 556981114 /nfs/dbraw/zinc/98/11/14/556981114.db2.gz MLKGXNKOCGIHKX-HXUWFJFHSA-N 0 3 431.883 4.201 50 0 IIAAHN O=C(CN1CCCN(Cc2ccccc2)CC1)Nc1ccc2c(c1)OC1(CCCCC1)O2 ZINC000023043118 556986172 /nfs/dbraw/zinc/98/61/72/556986172.db2.gz UASOPPNIWXUMQZ-UHFFFAOYSA-N 0 3 435.568 4.265 50 0 IIAAHN COCc1nn2c(c1-c1ccccc1)NC(=O)C2CC(=O)Nc1ccccc1C(F)(F)F ZINC000072453357 557009643 /nfs/dbraw/zinc/00/96/43/557009643.db2.gz NERZOUUZJJQBKI-KRWDZBQOSA-N 0 3 444.413 4.237 50 0 IIAAHN COc1cccc(OC)c1C(=O)C1CC(=O)Nc2c1c(C)nn2-c1cccc(Cl)c1 ZINC000046057863 557029155 /nfs/dbraw/zinc/02/91/55/557029155.db2.gz LPEJLPTUCZIDNU-OAHLLOKOSA-N 0 3 425.872 4.160 50 0 IIAAHN COc1cccc(OC)c1C(=O)C1CC(=O)Nc2c1c(C)nn2-c1ccc(Cl)cc1 ZINC000046057743 557029167 /nfs/dbraw/zinc/02/91/67/557029167.db2.gz ZOJREZPXVYRLDV-OAHLLOKOSA-N 0 3 425.872 4.160 50 0 IIAAHN C[C@@H]1CN(c2ccc(NC(=O)N(CCc3ccccc3)CCN(C)C)cc2F)C[C@@H](C)O1 ZINC000048278898 557057099 /nfs/dbraw/zinc/05/70/99/557057099.db2.gz FGDJXPIFSXWQOE-WOJBJXKFSA-N 0 3 442.579 4.078 50 0 IIAAHN Cc1ccc(-c2nnc(-c3ccc(C(=O)N4CCN(c5ccncc5)CC4)cc3)o2)cc1 ZINC000024775953 557166631 /nfs/dbraw/zinc/16/66/31/557166631.db2.gz IQBDLMQJNUKEGU-UHFFFAOYSA-N 0 3 425.492 4.069 50 0 IIAAHN O=C(COc1ccccc1CNC[C@@H](c1ccccc1Cl)N1CCCC1)N1CCCC1 ZINC000025358429 557205947 /nfs/dbraw/zinc/20/59/47/557205947.db2.gz KAVDHBQAABMJDZ-QHCPKHFHSA-N 0 3 442.003 4.268 50 0 IIAAHN O=C(CN[C@H](Cc1ccccc1)c1ccccc1)NCC1(c2ccccc2)CCOCC1 ZINC000069946521 557212939 /nfs/dbraw/zinc/21/29/39/557212939.db2.gz NLPZIDANGRPLRY-AREMUKBSSA-N 0 3 428.576 4.425 50 0 IIAAHN CC(C)C[C@@H]1[C@@H]2C(=O)N(c3ccc(Br)cc3)C(=O)C2ON1c1ccccc1 ZINC000101075923 557225595 /nfs/dbraw/zinc/22/55/95/557225595.db2.gz OJTVJQQTIRDHQH-QYZOEREBSA-N 0 3 429.314 4.174 50 0 IIAAHN Cc1ccc([C@@H](CNC(=O)COc2ccc(Br)cc2)N2CCCCC2)cc1 ZINC000027581537 557266494 /nfs/dbraw/zinc/26/64/94/557266494.db2.gz CWHLUOIURNGUGF-OAQYLSRUSA-N 0 3 431.374 4.480 50 0 IIAAHN Cc1nc(-c2cc(S(=O)(=O)NCCCN3CCC[C@H](C)C3)c(C)s2)sc1C ZINC000033290112 557332674 /nfs/dbraw/zinc/33/26/74/557332674.db2.gz HOPNLRRLUUFKNV-ZDUSSCGKSA-N 0 3 427.661 4.197 50 0 IIAAHN CCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(C)cc4)[C@H]3C2=O)cc1 ZINC000102663059 557362038 /nfs/dbraw/zinc/36/20/38/557362038.db2.gz AWTVSNZKEXJBJA-TZRRMPRUSA-N 0 3 428.488 4.445 50 0 IIAAHN O=C1C2ON(c3ccccc3)[C@@H](c3ccc(O)cc3)[C@@H]2C(=O)N1c1ccc(Cl)c(F)c1 ZINC000102706885 557366903 /nfs/dbraw/zinc/36/69/03/557366903.db2.gz JOPMZDNLMORPSK-PCCBWWKXSA-N 0 3 438.842 4.236 50 0 IIAAHN O=C(NCc1cccc(F)c1)[C@H]1Cc2ccccc2N2CCN(CCc3ccccc3)C[C@H]12 ZINC000104916219 557464858 /nfs/dbraw/zinc/46/48/58/557464858.db2.gz ZMINZEFTLSFHMP-AHKZPQOWSA-N 0 3 443.566 4.048 50 0 IIAAHN COc1cccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc(SC)cc4)[C@H]3C2=O)c1 ZINC000105906513 557512228 /nfs/dbraw/zinc/51/22/28/557512228.db2.gz GWDKFFDTNYDZTC-DNVJHFABSA-N 0 3 446.528 4.468 50 0 IIAAHN CCN(CC)CC(=O)Nc1ccc2c(c1)N(C(=O)CN(CC)CC)c1ccccc1CC2 ZINC000000869977 562919473 /nfs/dbraw/zinc/91/94/73/562919473.db2.gz OCENEPXQFHBLMK-UHFFFAOYSA-N 0 3 436.600 4.072 50 0 IIAAHN OCC[C@@H]1CN(Cc2cnc(-c3cccc4ccccc43)nc2)CCN1C1CCCCC1 ZINC000019790228 563022968 /nfs/dbraw/zinc/02/29/68/563022968.db2.gz LDTYNCRAEFZYDJ-XMMPIXPASA-N 0 3 430.596 4.498 50 0 IIAAHN O[C@@H](COc1ccccc1CNC1(c2ccccc2)CC1)CN1CCc2ccccc2C1 ZINC000012301217 568612948 /nfs/dbraw/zinc/61/29/48/568612948.db2.gz NECGDKSXTQVGPH-AREMUKBSSA-N 0 3 428.576 4.264 50 0 IIAAHN CC(C)Cn1c2ccccc2nc(-c2ccc(C(=O)NCCN3CCCC[C@H]3C)cc2)c1=O ZINC000033298565 568626239 /nfs/dbraw/zinc/62/62/39/568626239.db2.gz XYOMMHIDJVVJTG-HXUWFJFHSA-N 0 3 446.595 4.324 50 0 IIAAHN CC(C)[C@@H](NC(=O)c1ccco1)C(=O)NCc1ccccc1-c1ccc(CN(C)C)cc1 ZINC000025521336 568661221 /nfs/dbraw/zinc/66/12/21/568661221.db2.gz QLPCKQWWQKMCTO-XMMPIXPASA-N 0 3 433.552 4.079 50 0 IIAAHN CCN1CCC(N(Cc2cccc(OC)c2)C(=O)Nc2cc(OC)cc(OC)c2)CC1 ZINC000015679779 568805658 /nfs/dbraw/zinc/80/56/58/568805658.db2.gz YZVWFBGIJBZPGO-UHFFFAOYSA-N 0 3 427.545 4.231 50 0 IIAAHN CCN1CCC(N(Cc2ccc(F)cc2)C(=O)Nc2cc(OC)c(OC)c(OC)c2)CC1 ZINC000015679805 568805687 /nfs/dbraw/zinc/80/56/87/568805687.db2.gz SVIFBDHFNAQNEU-UHFFFAOYSA-N 0 3 445.535 4.370 50 0 IIAAHN O=S(=O)(c1ccc(-c2cc(C(F)(F)F)on2)s1)N1CCC(N2CCCCC2)CC1 ZINC000015731089 568813883 /nfs/dbraw/zinc/81/38/83/568813883.db2.gz KXELKJXQOWUXJF-UHFFFAOYSA-N 0 3 449.520 4.061 50 0 IIAAHN COc1ccc(N2OC3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@H]3[C@H]2c2ccccc2)cc1 ZINC000239275136 568910941 /nfs/dbraw/zinc/91/09/41/568910941.db2.gz BFWHVTSVWUKBED-BDTNDASRSA-N 0 3 434.879 4.400 50 0 IIAAHN CCCN(C)c1cc(Cl)nc(SCc2cccc(C(=O)NCCN3CCCC3)c2)n1 ZINC000016570328 568921461 /nfs/dbraw/zinc/92/14/61/568921461.db2.gz NOFCERAWZDJYIX-UHFFFAOYSA-N 0 3 448.036 4.094 50 0 IIAAHN COc1ccc(-c2nc(-c3ccc(C(=O)NCCN(C)Cc4ccccc4)s3)no2)cc1 ZINC000065062896 569097656 /nfs/dbraw/zinc/09/76/56/569097656.db2.gz GCBPMEASFUYGKH-UHFFFAOYSA-N 0 3 448.548 4.336 50 0 IIAAHN Cc1ccccc1CN1CCC(NC(=O)COc2ccc(Oc3ccccn3)cc2)CC1 ZINC000170637866 569178399 /nfs/dbraw/zinc/17/83/99/569178399.db2.gz ZZUMCGDDGUHWQP-UHFFFAOYSA-N 0 3 431.536 4.342 50 0 IIAAHN O=C(NC[C@H]1CCCN(Cc2ccc(OC[C@H]3CCCO3)cc2)C1)Nc1cccc(F)c1 ZINC000252517207 569189333 /nfs/dbraw/zinc/18/93/33/569189333.db2.gz BYCCIOMJJFAVHW-HYBUGGRVSA-N 0 3 441.547 4.417 50 0 IIAAHN CC(C)[C@H](CN(Cc1ccc(Cl)c(Cl)c1)c1nn2c(nccc2=O)s1)N(C)C ZINC000079109178 569326021 /nfs/dbraw/zinc/32/60/21/569326021.db2.gz KDJASSDTQINHGU-INIZCTEOSA-N 0 3 440.400 4.051 50 0 IIAAHN COc1ccc(-c2nn(-c3ccccc3)cc2CN2CCC[C@@H](c3nncn3C)C2)c(F)c1 ZINC000067833840 569472446 /nfs/dbraw/zinc/47/24/46/569472446.db2.gz KBGYUKYIDNUKJG-GOSISDBHSA-N 0 3 446.530 4.195 50 0 IIAAHN CCN(CC)[C@H](CNC(=O)Nc1cc(Cl)ccc1N1CCOCC1)c1ccsc1 ZINC000040103409 569488045 /nfs/dbraw/zinc/48/80/45/569488045.db2.gz NOSTWAGAJTWUMV-HXUWFJFHSA-N 0 3 437.009 4.443 50 0 IIAAHN O=C(Cn1c2ccccc2nc1-c1cscn1)NCc1ccccc1CN1CCCCC1 ZINC000009058204 569499294 /nfs/dbraw/zinc/49/92/94/569499294.db2.gz WZYCHMOUCQQCOU-UHFFFAOYSA-N 0 3 445.592 4.462 50 0 IIAAHN COc1ccc([C@@H]2N(c3ccccc3)OC3C(=O)N(c4ccc(OC)cc4)C(=O)[C@@]32C)cc1 ZINC000009109897 569501940 /nfs/dbraw/zinc/50/19/40/569501940.db2.gz ACHWGWKDDQUFBY-PPJWLVRDSA-N 0 3 444.487 4.145 50 0 IIAAHN Cc1nn(-c2ccc(F)cc2)c(-n2cccc2)c1C(=O)N1CCN(C2CCCCC2)CC1 ZINC000009211708 569511831 /nfs/dbraw/zinc/51/18/31/569511831.db2.gz QPJMQVQSQCFPPS-UHFFFAOYSA-N 0 3 435.547 4.201 50 0 IIAAHN CN(C(=O)[C@H]1C[C@@H]1c1ccc(Br)cc1)C1CCN(CCc2ccncc2)CC1 ZINC000070038448 569529366 /nfs/dbraw/zinc/52/93/66/569529366.db2.gz OXIXMWBFDLHHNS-YADHBBJMSA-N 0 3 442.401 4.113 50 0 IIAAHN CC(C)(C)c1ccc(S(=O)(=O)C2C(=O)N[C@]3(C)C[C@H]2c2cc(Cl)ccc2O3)cc1 ZINC000009407639 569530282 /nfs/dbraw/zinc/53/02/82/569530282.db2.gz DVDHTVMNXCIQGW-JLMWRMLUSA-N 0 3 433.957 4.192 50 0 IIAAHN COc1cccc2c1OC1(CCN(C(C)C)CC1)N1N=C(c3ccc4c(c3)OCCO4)C[C@@H]21 ZINC000009461556 569537089 /nfs/dbraw/zinc/53/70/89/569537089.db2.gz INFUCCPJKLPGGA-NRFANRHFSA-N 0 3 449.551 4.210 50 0 IIAAHN CCOC(=O)c1c(NC(=O)c2ccc(OC)cc2OC)sc2c1CC(C)(C)NC2(C)C ZINC000009639809 569555268 /nfs/dbraw/zinc/55/52/68/569555268.db2.gz OMCOYDVOFDJQIX-UHFFFAOYSA-N 0 3 446.569 4.354 50 0 IIAAHN O=C(C1COc2ccccc2O1)N(Cc1ccccn1)c1nc2c(cc(F)cc2F)s1 ZINC000010187656 569578619 /nfs/dbraw/zinc/57/86/19/569578619.db2.gz AWXKZLHILKMXQG-GOSISDBHSA-N 0 3 439.443 4.343 50 0 IIAAHN CCN(CC)CCN1C(=O)c2oc3cc(OC)ccc3c(=O)c2[C@H]1c1ccc(Cl)cc1 ZINC000010233208 569579507 /nfs/dbraw/zinc/57/95/07/569579507.db2.gz GTUNAHMJLHEUII-OAQYLSRUSA-N 0 3 440.927 4.342 50 0 IIAAHN C/C=C(\C)CN1CCC([C@]2(Cc3ccccc3Cl)NC(=O)N(CC3CC3)C2=O)CC1 ZINC000012157715 518484596 /nfs/dbraw/zinc/48/45/96/518484596.db2.gz FOSCRJXDWAJDDK-OJCWMABJSA-N 0 3 429.992 4.261 50 0 IIAAHN CC(C)CN1C(=O)c2ccccc2[C@@H](C(=O)NCCN2CCCCC2)[C@@H]1c1cccs1 ZINC000020858464 519719944 /nfs/dbraw/zinc/71/99/44/519719944.db2.gz QORQFXBAUHNOLG-PKTZIBPZSA-N 0 3 439.625 4.287 50 0 IIAAHN CCCOc1ccc([C@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2CCCN(C)C)cc1 ZINC000016752947 520434081 /nfs/dbraw/zinc/43/40/81/520434081.db2.gz BGKHGACJARJKQJ-QFIPXVFZSA-N 0 3 438.499 4.218 50 0 IIAAHN CCN(CC)CCN(C(=O)c1cccc(F)c1)c1nc2cc3c(cc2s1)OCCO3 ZINC000012140881 520639500 /nfs/dbraw/zinc/63/95/00/520639500.db2.gz USOGRJKWBKQASA-UHFFFAOYSA-N 0 3 429.517 4.195 50 0 IIAAHN CCOC(=O)[C@@]1(CCOc2ccccc2)CCCN(Cc2cc(OC)c(O)c(OC)c2)C1 ZINC000012712107 521180872 /nfs/dbraw/zinc/18/08/72/521180872.db2.gz XMAXCEWCYWLICK-RUZDIDTESA-N 0 3 443.540 4.024 50 0 IIAAHN CCN1CCN(C(=O)[C@@H](C)NC[C@@H](c2c[nH]c3ccccc32)c2ccccc2Cl)CC1 ZINC000012807926 521666885 /nfs/dbraw/zinc/66/68/85/521666885.db2.gz LUULFFFVYOIHIR-WIYYLYMNSA-N 0 3 439.003 4.095 50 0 IIAAHN CCc1cccc2c([C@@H](CC(=O)NCCN3CCCC3)c3ccc4c(c3)OCO4)c[nH]c21 ZINC000035888930 521793639 /nfs/dbraw/zinc/79/36/39/521793639.db2.gz FFHWVASZEMNSPS-NRFANRHFSA-N 0 3 433.552 4.193 50 0 IIAAHN COc1ccc(-c2nc(/C=C/C(=O)NC[C@H](c3ccc(OC)cc3)N(C)C)cs2)cc1 ZINC000012902440 523189063 /nfs/dbraw/zinc/18/90/63/523189063.db2.gz AKTDFUNZSOXLDM-UBLKFNIESA-N 0 3 437.565 4.260 50 0 IIAAHN Cc1ccc(CCC(=O)N(CCN(C)C)Cc2cc3cccc(C)c3nc2N(C)C)cc1 ZINC000012164896 524282888 /nfs/dbraw/zinc/28/28/88/524282888.db2.gz AMBNOASVIZJXHO-UHFFFAOYSA-N 0 3 432.612 4.441 50 0 IIAAHN COc1ccccc1CN1CCC2(CC[C@@H](CNC(=O)c3ccccc3SC)O2)CC1 ZINC000012135730 524448135 /nfs/dbraw/zinc/44/81/35/524448135.db2.gz JPOGQAHAXWRWQI-FQEVSTJZSA-N 0 3 440.609 4.361 50 0 IIAAHN Cc1cc(C)nc(CCNCc2cn(-c3ccccc3)nc2-c2ccc3c(c2)OCO3)n1 ZINC000014971908 524577820 /nfs/dbraw/zinc/57/78/20/524577820.db2.gz XFBCZONWUQABEN-UHFFFAOYSA-N 0 3 427.508 4.007 50 0 IIAAHN Cc1ccc([C@@H](CNC(=O)CCNc2ncc(C(F)(F)F)cc2Cl)N(C)C)cc1 ZINC000079308838 525758957 /nfs/dbraw/zinc/75/89/57/525758957.db2.gz HUNKJDFLNOULCC-QGZVFWFLSA-N 0 3 428.886 4.283 50 0 IIAAHN COc1cccc(CN2CCC(n3nccc3NC(=O)[C@@H](OC)c3ccccc3)CC2)c1 ZINC000012715531 525936396 /nfs/dbraw/zinc/93/63/96/525936396.db2.gz IFHRQSQMXRXCHB-DEOSSOPVSA-N 0 3 434.540 4.055 50 0 IIAAHN Cc1ccc(C(=O)N2CCN(C3CCCCC3)CC2)cc1NC(=O)C1=C(C)OCCS1 ZINC000020919220 526111343 /nfs/dbraw/zinc/11/13/43/526111343.db2.gz MRHCNLDVLHIEII-UHFFFAOYSA-N 0 3 443.613 4.019 50 0 IIAAHN Cc1cc(C(=O)N(C)CC2CCN(CCc3cccc(C(F)(F)F)c3)CC2)nc(C)n1 ZINC000012443286 526219907 /nfs/dbraw/zinc/21/99/07/526219907.db2.gz GRVXDDDUATUHAJ-UHFFFAOYSA-N 0 3 434.506 4.139 50 0 IIAAHN O=C(NC1CCN(Cc2ccccc2)CC1)c1cccc(-c2cc(N3CCCC3)ncn2)c1 ZINC000035511834 527530210 /nfs/dbraw/zinc/53/02/10/527530210.db2.gz QVCSVMVZMICURZ-UHFFFAOYSA-N 0 3 441.579 4.138 50 0 IIAAHN OCC[C@@H]1CN(CC2=Cc3cc(Cl)ccc3OC2)CCN1CCCc1ccccc1 ZINC000020781162 527565047 /nfs/dbraw/zinc/56/50/47/527565047.db2.gz HKDWOQIEBCPHIO-XMMPIXPASA-N 0 3 426.988 4.117 50 0 IIAAHN COc1ccccc1N1CCN(C2CCN(Cc3cccc(Br)c3)CC2)CC1 ZINC000009933414 537068345 /nfs/dbraw/zinc/06/83/45/537068345.db2.gz LXBWZMZKODZREL-UHFFFAOYSA-N 0 3 444.417 4.244 50 0 IIAAHN Cc1ccc(CN2CCCN(c3ccc(NC(=O)COc4ccccc4)cn3)CC2)cc1 ZINC000034681973 555815713 /nfs/dbraw/zinc/81/57/13/555815713.db2.gz BNLDWLLIHXFWTL-UHFFFAOYSA-N 0 3 430.552 4.120 50 0 IIAAHN COCCN(C[C@H]1CN(Cc2cc(C)c(C)o2)C[C@H]1c1cccc(F)c1)C(=O)C(C)C ZINC000034740506 555883602 /nfs/dbraw/zinc/88/36/02/555883602.db2.gz PEYPYEUNCXYNSV-QPPBQGQZSA-N 0 3 430.564 4.382 50 0 IIAAHN CCc1ccc([C@H](CNC(=O)CCSCC(=O)Nc2ccc(C)cc2)N(C)C)cc1 ZINC000032733296 556305599 /nfs/dbraw/zinc/30/55/99/556305599.db2.gz XGPPZKHZAMFKRM-QFIPXVFZSA-N 0 3 427.614 4.038 50 0 IIAAHN COc1ccc(OC)c(CN2CCC[C@@H](C(=O)N3CCC(Cc4ccccc4)CC3)C2)c1 ZINC000009831801 556312696 /nfs/dbraw/zinc/31/26/96/556312696.db2.gz PBCCEPWBHDJHJD-HSZRJFAPSA-N 0 3 436.596 4.397 50 0 IIAAHN COc1cc(/C=C/[C@@H]2C[C@H]3CN(Cc4cccc(Cl)c4)C(=O)[C@]34CCCN24)ccc1O ZINC000011661093 556342665 /nfs/dbraw/zinc/34/26/65/556342665.db2.gz HKRMMUABYFIYMS-VDWXUZIHSA-N 0 3 438.955 4.333 50 0 IIAAHN CCOc1ccc(CN2CCC[C@@H](CCC(=O)NCc3ccc(OC)cc3OC)C2)cc1 ZINC000011662098 556343580 /nfs/dbraw/zinc/34/35/80/556343580.db2.gz PQXDSGJHECNVIX-FQEVSTJZSA-N 0 3 440.584 4.411 50 0 IIAAHN O=C(NC[C@H]1CCC2(CCN(Cc3ccncc3)CC2)O1)c1ccc(-c2ccco2)cc1 ZINC000011790823 556355621 /nfs/dbraw/zinc/35/56/21/556355621.db2.gz BXSCVVPHUJFXAR-HSZRJFAPSA-N 0 3 431.536 4.285 50 0 IIAAHN O=C(NC[C@@H]1CCC2(CCN(Cc3ccncc3)CC2)O1)c1ccc(-c2ccco2)cc1 ZINC000011790822 556355788 /nfs/dbraw/zinc/35/57/88/556355788.db2.gz BXSCVVPHUJFXAR-QHCPKHFHSA-N 0 3 431.536 4.285 50 0 IIAAHN CCOc1ccccc1CN1CCC[C@H](CCC(=O)NCc2ccc(OC)cc2OC)C1 ZINC000011818483 556360511 /nfs/dbraw/zinc/36/05/11/556360511.db2.gz KDMOYRSXZCEQJB-HXUWFJFHSA-N 0 3 440.584 4.411 50 0 IIAAHN C[C@H](NC[C@@H](c1cccs1)c1c[nH]c2ccccc21)C(=O)NCc1ccc2c(c1)OCO2 ZINC000014095868 556367536 /nfs/dbraw/zinc/36/75/36/556367536.db2.gz NFGOZURZMCJYTI-OXJNMPFZSA-N 0 3 447.560 4.385 50 0 IIAAHN COc1ccc(CN2CCC([C@@H](Cc3ccccc3)N(C)C(=O)c3ccn(C)n3)CC2)cc1 ZINC000012040318 556390819 /nfs/dbraw/zinc/39/08/19/556390819.db2.gz QVYIIZWKWPYGLL-AREMUKBSSA-N 0 3 446.595 4.024 50 0 IIAAHN CC(C)CN1C(=O)N(Cc2ccccn2)C(=O)C12CCN(Cc1ccc(Cl)cc1)CC2 ZINC000014535585 556423203 /nfs/dbraw/zinc/42/32/03/556423203.db2.gz RZKGUCAICFXVNH-UHFFFAOYSA-N 0 3 440.975 4.190 50 0 IIAAHN Cn1nc(C(=O)N2CCCCCC2)c2c1CC[C@H](NCc1nc(-c3ccccc3)cs1)C2 ZINC000014542699 556426543 /nfs/dbraw/zinc/42/65/43/556426543.db2.gz BVUJSJYHOJIDCR-IBGZPJMESA-N 0 3 449.624 4.207 50 0 IIAAHN CCN1CCN(C2(CNC(=O)[C@@H](C)Oc3cc(C)c(Cl)c(C)c3)CCCCC2)CC1 ZINC000028293527 556450992 /nfs/dbraw/zinc/45/09/92/556450992.db2.gz JZEWOBRRPVKXOE-HXUWFJFHSA-N 0 3 436.040 4.181 50 0 IIAAHN Cc1c(CN2CCC([C@@H](Cc3ccccc3)N(C)C(=O)c3cccs3)CC2)cnn1C ZINC000014888442 556455777 /nfs/dbraw/zinc/45/57/77/556455777.db2.gz BQFHZMVYOPEGFQ-HSZRJFAPSA-N 0 3 436.625 4.386 50 0 IIAAHN COc1ccc([C@H](CNC(=O)c2ccc3c(c2)C[C@H](c2ccccc2)OC3=O)N(C)C)cc1 ZINC000013128560 556477782 /nfs/dbraw/zinc/47/77/82/556477782.db2.gz FUVDNZQCNSVZDX-LOSJGSFVSA-N 0 3 444.531 4.182 50 0 IIAAHN COc1ccc(Cl)cc1NC(=O)CC[C@H]1CCCN(C(=O)CN2CCCCCC2)C1 ZINC000015062398 556490476 /nfs/dbraw/zinc/49/04/76/556490476.db2.gz LZUWDAQGGQOTJQ-GOSISDBHSA-N 0 3 435.996 4.182 50 0 IIAAHN COc1ccc(CCN(C)[C@@H]2CCCN(C(=O)CCCc3cccs3)C2)cc1OC ZINC000015066090 556492750 /nfs/dbraw/zinc/49/27/50/556492750.db2.gz PQFMTKQMIXDXBO-HXUWFJFHSA-N 0 3 430.614 4.254 50 0 IIAAHN COc1ccc(-c2cc3nc(C)cc(N4CCN(C5CCCCC5)CC4)n3n2)cc1OC ZINC000015670883 556541871 /nfs/dbraw/zinc/54/18/71/556541871.db2.gz BOKHWNQMQCREDS-UHFFFAOYSA-N 0 3 435.572 4.177 50 0 IIAAHN Cc1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)NC2CCN(Cc3ccccc3)CC2)o1 ZINC000015994235 556571748 /nfs/dbraw/zinc/57/17/48/556571748.db2.gz ZJPQGSMOPYDKCM-BWAHOGKJSA-N 0 3 443.547 4.140 50 0 IIAAHN CCCN(Cc1c(C)nn(-c2ccc(F)cc2)c1N1CCN(C)CC1)Cc1ccccc1 ZINC000034836458 556583047 /nfs/dbraw/zinc/58/30/47/556583047.db2.gz CXFBHHSKSAXSOM-UHFFFAOYSA-N 0 3 435.591 4.484 50 0 IIAAHN COCCN(C[C@H]1CN(Cc2ccccc2F)C[C@H]1c1cccc(F)c1)C(=O)C(C)C ZINC000248150424 556669299 /nfs/dbraw/zinc/66/92/99/556669299.db2.gz GTPXADIQRVKYFE-GGAORHGYSA-N 0 3 430.539 4.311 50 0 IIAAHN CC[C@H](O)CN(CC(=O)N1CCc2sccc2[C@H]1COc1cccc(F)c1)CC(C)C ZINC000248229177 556676571 /nfs/dbraw/zinc/67/65/71/556676571.db2.gz KFBPRVOSTGVXRB-SIKLNZKXSA-N 0 3 448.604 4.121 50 0 IIAAHN CN(C)CCNC(=O)c1cccc([C@@H]2CCCN(C(=O)Nc3ccc(Cl)cc3)C2)c1 ZINC000033035298 556717714 /nfs/dbraw/zinc/71/77/14/556717714.db2.gz RCOQFIAFBRIYJC-LJQANCHMSA-N 0 3 428.964 4.043 50 0 IIAAHN CCCCc1[nH]c(SCC(=O)N2CCN(C34CC5CC(CC(C5)C3)C4)CC2)nc1C ZINC000004629790 556796917 /nfs/dbraw/zinc/79/69/17/556796917.db2.gz VSARXFAGNRLFNO-UHFFFAOYSA-N 0 3 430.662 4.266 50 0 IIAAHN CCCCc1nc(SCC(=O)N2CCN(C34CC5CC(CC(C5)C3)C4)CC2)[nH]c1C ZINC000004629790 556796920 /nfs/dbraw/zinc/79/69/20/556796920.db2.gz VSARXFAGNRLFNO-UHFFFAOYSA-N 0 3 430.662 4.266 50 0 IIAAHN Cc1nc(N2CCCC2)cc(N2CCN(C(=O)c3ccc(-c4ccccc4)cc3)CC2)n1 ZINC000067601743 556843268 /nfs/dbraw/zinc/84/32/68/556843268.db2.gz VEXPTFCGTYTSPW-UHFFFAOYSA-N 0 3 427.552 4.015 50 0 IIAAHN CCOCc1cc(CN2CCC[C@H](N3CCN(c4ccccc4F)CC3)C2)ccc1OC ZINC000019733174 556877042 /nfs/dbraw/zinc/87/70/42/556877042.db2.gz CHSZDBVHLCYGMB-QHCPKHFHSA-N 0 3 441.591 4.157 50 0 IIAAHN CC(=O)Nc1ccc(NC(=O)CC2C(=O)N(C3CCCCC3)c3nc4ccccc4n32)cc1 ZINC000019817419 556920254 /nfs/dbraw/zinc/92/02/54/556920254.db2.gz ASKWJDPAEJIFEM-JOCHJYFZSA-N 0 3 445.523 4.244 50 0 IIAAHN NS(=O)(=O)c1ccc(CCNCc2ccc(-c3ccc(Cl)cc3Cl)o2)cc1 ZINC000019872530 556935834 /nfs/dbraw/zinc/93/58/34/556935834.db2.gz PZXUBIZETDAMCC-UHFFFAOYSA-N 0 3 425.337 4.233 50 0 IIAAHN COCCCN1C(=O)C(CC(=O)Nc2cc(Cl)cc(Cl)c2)n2c3ccccc3nc21 ZINC000020103457 556980961 /nfs/dbraw/zinc/98/09/61/556980961.db2.gz ZVLCWCQENRWTDD-SFHVURJKSA-N 0 3 447.322 4.296 50 0 IIAAHN COCCCN1C(=O)C(CC(=O)Nc2ccc(Cl)c(Cl)c2)n2c3ccccc3nc21 ZINC000020103438 556981055 /nfs/dbraw/zinc/98/10/55/556981055.db2.gz JFCDRMZCXROGLE-GOSISDBHSA-N 0 3 447.322 4.296 50 0 IIAAHN Cc1cc(C)cc(NC(=O)CC2C(=O)N(Cc3ccccn3)c3nc4ccccc4n32)c1 ZINC000020103569 556981330 /nfs/dbraw/zinc/98/13/30/556981330.db2.gz XDKLCUMEDHJPOV-QFIPXVFZSA-N 0 3 425.492 4.165 50 0 IIAAHN Cc1ccccc1CN1CCN(Cc2ccc(CN3CCCCC3)s2)C[C@@H]1CCO ZINC000020209862 556998743 /nfs/dbraw/zinc/99/87/43/556998743.db2.gz BNNPAQPZBNUIOJ-QHCPKHFHSA-N 0 3 427.658 4.111 50 0 IIAAHN O=C(CC1C(=O)N(C[C@H]2CCCO2)c2nc3ccccc3n21)Nc1cccc2ccccc21 ZINC000023382309 557089695 /nfs/dbraw/zinc/08/96/95/557089695.db2.gz DCFDFPVSRRPJKH-WZONZLPQSA-N 0 3 440.503 4.285 50 0 IIAAHN Cc1ccc(NC(=O)CC2C(=O)N(Cc3ccccn3)c3nc4ccccc4n32)cc1C ZINC000023382428 557089946 /nfs/dbraw/zinc/08/99/46/557089946.db2.gz PKAJJOSBMLVOLU-JOCHJYFZSA-N 0 3 425.492 4.165 50 0 IIAAHN O=C(NCCc1cscn1)c1ccc(OC2CCN(CCc3ccccc3)CC2)cc1 ZINC000023429857 557092191 /nfs/dbraw/zinc/09/21/91/557092191.db2.gz ICLABTNQSDHNCB-UHFFFAOYSA-N 0 3 435.593 4.202 50 0 IIAAHN COc1ccccc1N1CCN(CCCCCCOc2c(OC)cccc2OC)CC1 ZINC000004807559 557134496 /nfs/dbraw/zinc/13/44/96/557134496.db2.gz HAHLLJRKAUQGPT-UHFFFAOYSA-N 0 3 428.573 4.474 50 0 IIAAHN O=C1C2ON(c3ccccc3)[C@@H](c3ccncc3)[C@H]2C(=O)N1c1ccc(Cl)c(Cl)c1 ZINC000018067548 557234961 /nfs/dbraw/zinc/23/49/61/557234961.db2.gz GIIMJJMIHWGLSE-HSALFYBXSA-N 0 3 440.286 4.440 50 0 IIAAHN CCN1CCN(c2ccc(NC(=O)CSc3nc4ccccc4s3)c(C)c2)CC1 ZINC000026909108 557250944 /nfs/dbraw/zinc/25/09/44/557250944.db2.gz QFHIYCHOUVXSMU-UHFFFAOYSA-N 0 3 426.611 4.477 50 0 IIAAHN CCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(F)cc4)[C@H]3C2=O)cc1 ZINC000100722364 557271437 /nfs/dbraw/zinc/27/14/37/557271437.db2.gz CLDHLEJEAVKJKI-XPWALMASSA-N 0 3 432.451 4.276 50 0 IIAAHN O=C1C2ON(c3ccccc3)[C@H](c3ccccn3)[C@@H]2C(=O)N1c1cccc(C(F)(F)F)c1 ZINC000101232144 557285146 /nfs/dbraw/zinc/28/51/46/557285146.db2.gz CABXKYXOJAOEDY-XUVXKRRUSA-N 0 3 439.393 4.152 50 0 IIAAHN COc1cccc([C@@H]2[C@H]3C(=O)N(c4cccc(Cl)c4)C(=O)C3ON2c2ccccc2)c1 ZINC000102706597 557366533 /nfs/dbraw/zinc/36/65/33/557366533.db2.gz FSPQQKSLNXBBCG-YPAWHYETSA-N 0 3 434.879 4.400 50 0 IIAAHN O=C(Nc1ccccc1Oc1ccccc1)N[C@H]1CCN(Cc2ccccc2)C[C@@H]1CO ZINC000107357550 557535570 /nfs/dbraw/zinc/53/55/70/557535570.db2.gz KJKUGEAELYWBPP-GGAORHGYSA-N 0 3 431.536 4.483 50 0 IIAAHN CCOc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(F)cc4)C(=O)C3ON2c2ccccc2)cc1 ZINC000226872522 557810180 /nfs/dbraw/zinc/81/01/80/557810180.db2.gz HQSPYXVGXOZEBV-YTFSRNRJSA-N 0 3 432.451 4.276 50 0 IIAAHN CCOC(=O)c1sc2nc(CSc3ccccc3)nc(NCCN(C)C)c2c1C ZINC000002628360 562928738 /nfs/dbraw/zinc/92/87/38/562928738.db2.gz YLYQGWVQALITSD-UHFFFAOYSA-N 0 3 430.599 4.442 50 0 IIAAHN Cc1ccccc1[S@](=O)Cc1ccc(C(=O)NC2CCN(Cc3ccccc3)CC2)o1 ZINC000009115472 562967189 /nfs/dbraw/zinc/96/71/89/562967189.db2.gz LSDRXLPUGPHHND-HKBQPEDESA-N 0 3 436.577 4.290 50 0 IIAAHN O=C(Nc1ccccc1Oc1ccccc1)N[C@H]1CCN(Cc2ccccc2)C[C@H]1CO ZINC000084535859 568798622 /nfs/dbraw/zinc/79/86/22/568798622.db2.gz KJKUGEAELYWBPP-GMAHTHKFSA-N 0 3 431.536 4.483 50 0 IIAAHN COc1ccc([C@@H]2[C@H]3C(=O)N(c4ccccc4Cl)C([O-])=C3ON2c2ccccc2)cc1 ZINC000100726607 568837071 /nfs/dbraw/zinc/83/70/71/568837071.db2.gz KHWAVBYANPTJJF-YPAWHYETSA-N 0 3 434.879 4.400 50 0 IIAAHN COc1ccc([C@@H]2[C@H]3C(=O)N(c4ccccc4Cl)C(=O)C3ON2c2ccccc2)cc1 ZINC000100726607 568837074 /nfs/dbraw/zinc/83/70/74/568837074.db2.gz KHWAVBYANPTJJF-YPAWHYETSA-N 0 3 434.879 4.400 50 0 IIAAHN COc1ccc(Cl)cc1NC(=O)[C@@H]1C[C@H](CC(C)C)N[C@@]12C(=O)Nc1ccccc12 ZINC000016026676 568864654 /nfs/dbraw/zinc/86/46/54/568864654.db2.gz SLKDYJURTYHIJA-WSZRMNBISA-N 0 3 427.932 4.159 50 0 IIAAHN CC(C)[C@@H](NCC(=O)NCCSCc1cccs1)c1ccc2c(c1)OCCCO2 ZINC000016047151 568868875 /nfs/dbraw/zinc/86/88/75/568868875.db2.gz QZHWIIGIULOSQF-JOCHJYFZSA-N 0 3 434.627 4.246 50 0 IIAAHN C[C@@H](NCC(=O)Nc1cc(C(F)(F)F)ccc1-n1cncn1)c1ccc2c(c1)CCCC2 ZINC000012942981 568870268 /nfs/dbraw/zinc/87/02/68/568870268.db2.gz DUIMQGOMEYKVQL-OAHLLOKOSA-N 0 3 443.473 4.454 50 0 IIAAHN CCCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc(O)cc4)[C@H]3C2=O)cc1 ZINC000245327369 568915088 /nfs/dbraw/zinc/91/50/88/568915088.db2.gz OXYHMUFBTGERQS-WXFUMESZSA-N 0 3 444.487 4.232 50 0 IIAAHN CN(c1ccc(NC(=O)N2CCCC[C@H](N3CCN(C)CC3)C2)cc1F)C1CCCCC1 ZINC000089382620 568921510 /nfs/dbraw/zinc/92/15/10/568921510.db2.gz UBCWHYYNRVPWDZ-QFIPXVFZSA-N 0 3 445.627 4.228 50 0 IIAAHN CCN(CC)c1cc(C(C)C)nc(SCc2ccc(C(=O)NCCN(C)C)cc2)n1 ZINC000006694830 568952508 /nfs/dbraw/zinc/95/25/08/568952508.db2.gz DHPMIFHGATVARG-UHFFFAOYSA-N 0 3 429.634 4.030 50 0 IIAAHN CCC[C@@H](O)CN(CCC)CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(C)cc1 ZINC000036309142 568995940 /nfs/dbraw/zinc/99/59/40/568995940.db2.gz OPZKSNAVAZBEPP-OFNKIYASSA-N 0 3 444.641 4.434 50 0 IIAAHN CC(C)OC[C@@H](O)CN(Cc1c(-c2ccccc2)noc1N1CCCCC1)CC1CC1 ZINC000036313041 568998157 /nfs/dbraw/zinc/99/81/57/568998157.db2.gz JNOFZXICWRFDQQ-QFIPXVFZSA-N 0 3 427.589 4.330 50 0 IIAAHN O=C(NCCN1CCCCCC1)c1ccc(NC(=O)C2CC2)cc1N1CCCCCC1 ZINC000065166045 569113138 /nfs/dbraw/zinc/11/31/38/569113138.db2.gz ARCGXWBCZXDIMM-UHFFFAOYSA-N 0 3 426.605 4.021 50 0 IIAAHN Nc1c2c(nn1Cc1ccccc1)nc(NCCN1CCCCC1)nc2-c1ccccc1F ZINC000037358816 569176744 /nfs/dbraw/zinc/17/67/44/569176744.db2.gz RKTOBTJZOAVTJF-UHFFFAOYSA-N 0 3 445.546 4.161 50 0 IIAAHN O=C(Cc1cccc(N(Cc2ccccc2)C(=O)c2ccco2)c1)NCCN1CCCCC1 ZINC000037600555 569202370 /nfs/dbraw/zinc/20/23/70/569202370.db2.gz HTAJKCNHMQOENY-UHFFFAOYSA-N 0 3 445.563 4.271 50 0 IIAAHN COC(=O)C(C)(C)C(C)(C)NCC(=O)N1N=C(c2cccs2)C[C@H]1c1cccs1 ZINC000079109511 569326019 /nfs/dbraw/zinc/32/60/19/569326019.db2.gz JTCUOUKOSAWCJK-HNNXBMFYSA-N 0 3 433.599 4.055 50 0 IIAAHN C[C@@H]1C[C@@H](NC(=O)COc2ccc(Oc3ccccn3)cc2)CCN1Cc1ccccc1 ZINC000095408996 569365057 /nfs/dbraw/zinc/36/50/57/569365057.db2.gz YJOAPKMPADYJON-IRLDBZIGSA-N 0 3 431.536 4.422 50 0 IIAAHN C[C@H]1CCc2c(F)cccc2[C@@H]1NCC(=O)N(C)c1ccccc1C(=O)NCc1ccco1 ZINC000095462628 569370081 /nfs/dbraw/zinc/37/00/81/569370081.db2.gz XWWOYBGJNMZRRV-SSOJOUAXSA-N 0 3 449.526 4.225 50 0 IIAAHN C[C@@H]1CCc2c(F)cccc2[C@@H]1NCC(=O)N(C)c1ccccc1C(=O)NCc1ccco1 ZINC000095462627 569370148 /nfs/dbraw/zinc/37/01/48/569370148.db2.gz XWWOYBGJNMZRRV-CRICUBBOSA-N 0 3 449.526 4.225 50 0 IIAAHN CCN(CC)[C@@H](CNC(=O)/C=C\c1c(C)nc2sc(C)cn12)c1cccc(OC)c1 ZINC000096129771 569385740 /nfs/dbraw/zinc/38/57/40/569385740.db2.gz HYWCOPSFCFJXFY-GMGKOPGTSA-N 0 3 426.586 4.234 50 0 IIAAHN O=C1C2ON(c3ccccc3)[C@H](c3ccco3)[C@@H]2C(=O)N1c1ccc(Br)cc1 ZINC000230042383 569418936 /nfs/dbraw/zinc/41/89/36/569418936.db2.gz MZONRPRPYPAYIM-IPMKNSEASA-N 0 3 439.265 4.093 50 0 IIAAHN CCCCNC(=O)CC1N=C2c3ccccc3N=C(SCc3ccc(C)cc3)N2C1=O ZINC000002968101 569433054 /nfs/dbraw/zinc/43/30/54/569433054.db2.gz AWWHKTGVYBPHMH-HXUWFJFHSA-N 0 3 434.565 4.193 50 0 IIAAHN CCOC(=O)c1c(NC(=O)c2ccc(N(C)C)cc2)sc2c1CC(C)(C)NC2(C)C ZINC000004232579 569461078 /nfs/dbraw/zinc/46/10/78/569461078.db2.gz XJRGFZREOJRVIA-UHFFFAOYSA-N 0 3 429.586 4.403 50 0 IIAAHN CCc1c(C)sc2nc3n(CCCN(C)C)nc(SCc4ccccc4)n3c(=O)c12 ZINC000040268621 569497515 /nfs/dbraw/zinc/49/75/15/569497515.db2.gz URTWOVQECLRTCP-UHFFFAOYSA-N 0 3 441.626 4.221 50 0 IIAAHN CCC[C@H](O)CN(CCC)CC(=O)N1CCc2sccc2[C@H]1COc1ccc(C)cc1 ZINC000245280373 569502032 /nfs/dbraw/zinc/50/20/32/569502032.db2.gz OPZKSNAVAZBEPP-NZQKXSOJSA-N 0 3 444.641 4.434 50 0 IIAAHN CCN1CCc2c(sc(-n3cccc3)c2CNC(=O)Nc2ccc(OC)c(OC)c2)C1 ZINC000009151106 569507412 /nfs/dbraw/zinc/50/74/12/569507412.db2.gz IPVYSZNOPHZHFF-UHFFFAOYSA-N 0 3 440.569 4.256 50 0 IIAAHN CCCN1CCC2(CC1)Oc1c(OC)cccc1[C@@H]1CC(c3ccc4c(c3)OCCO4)=NN12 ZINC000009360116 569525747 /nfs/dbraw/zinc/52/57/47/569525747.db2.gz ROEGVQQTARXSQJ-NRFANRHFSA-N 0 3 449.551 4.212 50 0 IIAAHN CCN1CCC2(CC1)Oc1c(OC)cccc1[C@H]1CC(c3ccc(OC)cc3OC)=NN12 ZINC000009462216 569537224 /nfs/dbraw/zinc/53/72/24/569537224.db2.gz IQWYHBFTWHYGOR-OAQYLSRUSA-N 0 3 437.540 4.068 50 0 IIAAHN O=C(NC1CCN(Cc2ccccc2)CC1)C1CN(C(c2ccccc2)c2ccccc2)C1 ZINC000071281464 569573713 /nfs/dbraw/zinc/57/37/13/569573713.db2.gz ZJJVWVXHLMSZAI-UHFFFAOYSA-N 0 3 439.603 4.489 50 0 IIAAHN O=C(CCCNC(=O)c1ccc(Cl)cc1)NCc1ccccc1CN1CCCCC1 ZINC000010281849 569580461 /nfs/dbraw/zinc/58/04/61/569580461.db2.gz NJSBEYKAYWDGJR-UHFFFAOYSA-N 0 3 427.976 4.152 50 0 IIAAHN O=C(NCc1ccccc1Cl)C(=O)NC[C@@H](c1cccc2ccccc21)N1CCCC1 ZINC000010334187 569581133 /nfs/dbraw/zinc/58/11/33/569581133.db2.gz AHTNCTHPSUHKJK-QHCPKHFHSA-N 0 3 435.955 4.063 50 0 IIAAHN Cc1nc(SCC(=O)NC2CCN(Cc3ccccc3)CC2)[nH]c1Cc1ccccc1 ZINC000010393542 569581873 /nfs/dbraw/zinc/58/18/73/569581873.db2.gz POBFVJUVMKLQTI-UHFFFAOYSA-N 0 3 434.609 4.182 50 0 IIAAHN Cc1[nH]c(SCC(=O)NC2CCN(Cc3ccccc3)CC2)nc1Cc1ccccc1 ZINC000010393542 569581874 /nfs/dbraw/zinc/58/18/74/569581874.db2.gz POBFVJUVMKLQTI-UHFFFAOYSA-N 0 3 434.609 4.182 50 0 IIAAHN CCN1CCN(c2ccc(NC(=O)c3cc4c(C)nn(CC(C)C)c4s3)cc2)CC1 ZINC000009550015 132321370 /nfs/dbraw/zinc/32/13/70/132321370.db2.gz BICSDMXEUQBQLV-UHFFFAOYSA-N 0 3 425.602 4.456 50 0 IIAAHN Fc1ccccc1N1CCN(C2CCN(Cc3cccc(Br)c3)CC2)CC1 ZINC000009933464 132331922 /nfs/dbraw/zinc/33/19/22/132331922.db2.gz OLFJNSYWRJMGFB-UHFFFAOYSA-N 0 3 432.381 4.375 50 0 IIAAHN CCOc1ccccc1N1CCN([C@H]2CCC(=O)N(Cc3ccc(F)c(F)c3)CC2)CC1 ZINC000011786021 132339727 /nfs/dbraw/zinc/33/97/27/132339727.db2.gz UTVYESZSVZQEAC-FQEVSTJZSA-N 0 3 443.538 4.067 50 0 IIAAHN CC(=O)c1cccc(CN2CCC(CCC(=O)N[C@H]3CCN(Cc4ccccc4)C3)CC2)c1 ZINC000012705941 518422097 /nfs/dbraw/zinc/42/20/97/518422097.db2.gz IINOPAQUWWSCNT-MHZLTWQESA-N 0 3 447.623 4.272 50 0 IIAAHN CC(C)OCCCn1cnc2sc3c(c2c1=O)CC[C@@H](NCc1c(F)cccc1F)C3 ZINC000020775039 519764933 /nfs/dbraw/zinc/76/49/33/519764933.db2.gz SDALQPQQVXNXBI-OAHLLOKOSA-N 0 3 447.551 4.198 50 0 IIAAHN CCOc1c(Cl)cc(C(=O)Nc2ccc(N3CCN(CC)CC3)cc2C)cc1OC ZINC000012606890 520596230 /nfs/dbraw/zinc/59/62/30/520596230.db2.gz ACHUELORUPZLMX-UHFFFAOYSA-N 0 3 431.964 4.450 50 0 IIAAHN CCN(Cc1cnn(C)c1)C(=O)c1ccc(OC2CCN(CCc3ccccc3)CC2)cc1 ZINC000012458922 521437893 /nfs/dbraw/zinc/43/78/93/521437893.db2.gz XIJKXKPJRFICGU-UHFFFAOYSA-N 0 3 446.595 4.168 50 0 IIAAHN CCOC(=O)c1nc2onc(C)c2c(NCC2CCN(Cc3cccc(Cl)c3)CC2)n1 ZINC000021646300 521599795 /nfs/dbraw/zinc/59/97/95/521599795.db2.gz KVTSBPUIRAZUDE-UHFFFAOYSA-N 0 3 443.935 4.080 50 0 IIAAHN CCCn1ncc(CN2CCC[C@H](N3CCN(c4cccc(C(F)(F)F)c4)CC3)C2)c1C ZINC000022851630 521672029 /nfs/dbraw/zinc/67/20/29/521672029.db2.gz DDIVFQUMAVDBJJ-QHCPKHFHSA-N 0 3 449.565 4.407 50 0 IIAAHN CCN1CCN([C@@H](C)CNc2nc(-c3ccccc3)nc3nc(-c4ccccc4)oc32)CC1 ZINC000041157321 521691264 /nfs/dbraw/zinc/69/12/64/521691264.db2.gz CPWNCBVEVVCHGR-IBGZPJMESA-N 0 3 442.567 4.390 50 0 IIAAHN COc1cc(-c2n[nH]cc2CN2CCC(OCc3ccccc3)CC2)cc(OC)c1OC ZINC000012306451 521900987 /nfs/dbraw/zinc/90/09/87/521900987.db2.gz NXZMBNKWZKTJGT-UHFFFAOYSA-N 0 3 437.540 4.284 50 0 IIAAHN CCc1[nH]nc(C(=O)N(CC(C)C)CC2CCN(Cc3ccccc3OC)CC2)c1C ZINC000012302341 522133349 /nfs/dbraw/zinc/13/33/49/522133349.db2.gz NLNHAPXSYJFIJW-UHFFFAOYSA-N 0 3 426.605 4.300 50 0 IIAAHN COc1ccc(-c2nc(/C=C/C(=O)NC[C@@H](c3ccc(OC)cc3)N(C)C)cs2)cc1 ZINC000012902445 523189033 /nfs/dbraw/zinc/18/90/33/523189033.db2.gz AKTDFUNZSOXLDM-UNJYKCMZSA-N 0 3 437.565 4.260 50 0 IIAAHN CCc1ccc([C@@H](CNC(=O)[C@H](Cc2ccccc2)NC(=O)c2cccs2)N(C)C)cc1 ZINC000012794419 524029500 /nfs/dbraw/zinc/02/95/00/524029500.db2.gz KWGSVYADIKJCAY-XZOQPEGZSA-N 0 3 449.620 4.071 50 0 IIAAHN Cc1ccc(CN2CCC[C@@H](CCC(=O)N3CCN(Cc4ccccc4)CC3)C2)s1 ZINC000020452286 524448103 /nfs/dbraw/zinc/44/81/03/524448103.db2.gz WORNQRHTIKXJKP-QHCPKHFHSA-N 0 3 425.642 4.393 50 0 IIAAHN Cc1c(Cl)cccc1NC(=O)CC1C(=O)N(C[C@@H]2CCCO2)c2nc3ccccc3n21 ZINC000023382272 525767740 /nfs/dbraw/zinc/76/77/40/525767740.db2.gz BUKDXQVETIHCGY-MGPUTAFESA-N 0 3 438.915 4.094 50 0 IIAAHN Cc1c[nH]c(CN(C)C(=O)c2ccc(OC3CCN(CCc4ccccc4)CC3)cc2)n1 ZINC000012305273 526000586 /nfs/dbraw/zinc/00/05/86/526000586.db2.gz ZSNIXMOMQTVSHV-UHFFFAOYSA-N 0 3 432.568 4.076 50 0 IIAAHN O[C@H](COCc1ccccc1)CN1CCC(C(O)(c2ccccc2)c2ccccc2)CC1 ZINC000023408325 526286328 /nfs/dbraw/zinc/28/63/28/526286328.db2.gz GIINTQDMUFJGOL-MHZLTWQESA-N 0 3 431.576 4.212 50 0 IIAAHN O=C(NCC1(N2CCCCC2)CCCC1)c1cc(COc2cccc3cnccc32)on1 ZINC000012313970 527570429 /nfs/dbraw/zinc/57/04/29/527570429.db2.gz LJWYSMLZTNABLH-UHFFFAOYSA-N 0 3 434.540 4.330 50 0 IIAAHN Cc1nn(C)cc1[C@H](C)NC(=O)c1ccc(OC2CCN(CCc3ccccc3)CC2)cc1 ZINC000012459443 527699525 /nfs/dbraw/zinc/69/95/25/527699525.db2.gz YYRXIBBNPKBYHB-FQEVSTJZSA-N 0 3 446.595 4.305 50 0 IIAAHN COCCNC(=O)c1ccc(OC)cc1OC1CCN(Cc2cc(C)c(C)cc2C)CC1 ZINC000011661649 556343551 /nfs/dbraw/zinc/34/35/51/556343551.db2.gz WZVNZDPKAJYXOT-UHFFFAOYSA-N 0 3 440.584 4.040 50 0 IIAAHN COc1ccc(-c2nn(-c3ccccc3)cc2CN2CCC[C@H](CNC(C)=O)C2)c(F)c1 ZINC000011816561 556359155 /nfs/dbraw/zinc/35/91/55/556359155.db2.gz QJROJJYKNFZCEF-LJQANCHMSA-N 0 3 436.531 4.035 50 0 IIAAHN CN(C)CCN(C[C@H]1CCCN(Cc2ccccc2F)C1)C(=O)c1ccc2ncccc2c1 ZINC000011817043 556359538 /nfs/dbraw/zinc/35/95/38/556359538.db2.gz ZKVFCSHKERVGBP-NRFANRHFSA-N 0 3 448.586 4.290 50 0 IIAAHN O=C(NCc1ccccc1)[C@@H]1CC12CCN(C(=O)c1ccc(CN3CCCCC3)cc1)CC2 ZINC000011838661 556363807 /nfs/dbraw/zinc/36/38/07/556363807.db2.gz XXZHKXJIKPCKAY-VWLOTQADSA-N 0 3 445.607 4.231 50 0 IIAAHN COc1ccc(CNC(=O)CC[C@@H]2CCCN(Cc3ccccc3OC)C2)c(OC)c1 ZINC000011841945 556365450 /nfs/dbraw/zinc/36/54/50/556365450.db2.gz UGLQHBPBGUJBJY-IBGZPJMESA-N 0 3 426.557 4.021 50 0 IIAAHN O=C(CSc1ccccc1)NC[C@@H]1CCC2(CCN(Cc3ccccc3F)CC2)O1 ZINC000011880569 556372454 /nfs/dbraw/zinc/37/24/54/556372454.db2.gz YAJLQWKRSWKABK-FQEVSTJZSA-N 0 3 428.573 4.248 50 0 IIAAHN CN(C(=O)CC[C@@H]1CCCN(Cc2ccccc2C(F)(F)F)C1)C1CCN(C)CC1 ZINC000011933933 556377368 /nfs/dbraw/zinc/37/73/68/556377368.db2.gz HMMVJUZENFRKSJ-SFHVURJKSA-N 0 3 425.539 4.250 50 0 IIAAHN CN(C)[C@H](CNC(=O)C1CCN(C(=O)c2cccc3ccccc32)CC1)c1ccccc1 ZINC000014188482 556387037 /nfs/dbraw/zinc/38/70/37/556387037.db2.gz QGSLYXIIUMHIAK-RUZDIDTESA-N 0 3 429.564 4.111 50 0 IIAAHN Cc1noc(C)c1COc1ccc(CC(=O)NC2CCN(Cc3ccccc3)CC2)cc1 ZINC000014190187 556387654 /nfs/dbraw/zinc/38/76/54/556387654.db2.gz AHOFMBVHMGNZKC-UHFFFAOYSA-N 0 3 433.552 4.194 50 0 IIAAHN CC(=O)Nc1ccc(CN2CCC(Oc3ccccc3C(=O)N3CCCCC3)CC2)cc1 ZINC000012029004 556388616 /nfs/dbraw/zinc/38/86/16/556388616.db2.gz SHRHMLBBSVOFDO-UHFFFAOYSA-N 0 3 435.568 4.315 50 0 IIAAHN CCCCOc1cccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCCN(C)C)c1 ZINC000032622840 556410182 /nfs/dbraw/zinc/41/01/82/556410182.db2.gz GHEZKYORDYMFOK-QHCPKHFHSA-N 0 3 434.536 4.469 50 0 IIAAHN CC1CCN([C@H](CNC(=O)Cc2csc(-c3ccccn3)n2)c2cccs2)CC1 ZINC000032841479 556427173 /nfs/dbraw/zinc/42/71/73/556427173.db2.gz KYGGUFYZLHXSKB-LJQANCHMSA-N 0 3 426.611 4.399 50 0 IIAAHN O=C(NC1CCCC1)[C@@H]1C[C@H](COc2cccc(F)c2)CN(Cc2ccc(O)cc2)C1 ZINC000014754198 556444431 /nfs/dbraw/zinc/44/44/31/556444431.db2.gz OVZFTCXEWZTXOR-VQTJNVASSA-N 0 3 426.532 4.107 50 0 IIAAHN CN(C)CCN(C[C@@H]1CCCN(Cc2ccccc2F)C1)C(=O)C1(c2ccccc2)CC1 ZINC000014953990 556461558 /nfs/dbraw/zinc/46/15/58/556461558.db2.gz PVBPPVHTGZJKDQ-JOCHJYFZSA-N 0 3 437.603 4.160 50 0 IIAAHN O=C(NC1CCN(Cc2ccccc2)CC1)c1cn(-c2ccccc2)nc1-c1cccnc1 ZINC000013117300 556469534 /nfs/dbraw/zinc/46/95/34/556469534.db2.gz KUICDZOXKIWGAA-UHFFFAOYSA-N 0 3 437.547 4.329 50 0 IIAAHN COc1cc2cc(CNCCc3cnn(C)c3)c(OCc3ccc(C)cc3)nc2cc1OC ZINC000014983458 556471674 /nfs/dbraw/zinc/47/16/74/556471674.db2.gz ILJKGAYPBHVNSS-UHFFFAOYSA-N 0 3 446.551 4.205 50 0 IIAAHN Cc1nn(C)c2nc(C)c(C(=O)NCc3ccccc3-c3ccc(CN(C)C)cc3)cc12 ZINC000029787022 556482604 /nfs/dbraw/zinc/48/26/04/556482604.db2.gz DQAUGNWQYCGUKB-UHFFFAOYSA-N 0 3 427.552 4.244 50 0 IIAAHN COc1ccc(Cl)cc1NC(=O)CC[C@@H]1CCCN(C(=O)CN2CCCCCC2)C1 ZINC000015062395 556490463 /nfs/dbraw/zinc/49/04/63/556490463.db2.gz LZUWDAQGGQOTJQ-SFHVURJKSA-N 0 3 435.996 4.182 50 0 IIAAHN COc1ccc([C@@H](CNC(=O)c2cc(-c3cccnc3)nc3ccccc32)N(C)C)cc1 ZINC000032960899 556571394 /nfs/dbraw/zinc/57/13/94/556571394.db2.gz LHHOOMMZYVCMDR-RUZDIDTESA-N 0 3 426.520 4.338 50 0 IIAAHN COc1ccc(S(=O)(=O)NC[C@@H]2CCCN(Cc3ccc(-c4ccco4)cc3)C2)cc1 ZINC000039500890 556629610 /nfs/dbraw/zinc/62/96/10/556629610.db2.gz BPCOJDDCLWDQJL-FQEVSTJZSA-N 0 3 440.565 4.146 50 0 IIAAHN CCCOc1cccc([C@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2CCCN(C)C)c1 ZINC000016750739 556637404 /nfs/dbraw/zinc/63/74/04/556637404.db2.gz PIBZLCUYWQYPEG-QHCPKHFHSA-N 0 3 434.536 4.387 50 0 IIAAHN COc1ccc([C@@H]2[C@@H]3C(=O)N(c4cccc(Cl)c4)C(=O)C3ON2c2ccccc2)cc1 ZINC000100799117 556675382 /nfs/dbraw/zinc/67/53/82/556675382.db2.gz IUBITZYLXRRGMJ-BDTNDASRSA-N 0 3 434.879 4.400 50 0 IIAAHN C[C@H](Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1)C(=O)NCc1ccccc1 ZINC000058170521 556768031 /nfs/dbraw/zinc/76/80/31/556768031.db2.gz LIBXGNUNXRINNW-QFIPXVFZSA-N 0 3 428.580 4.126 50 0 IIAAHN CCN1CCN(CCCNC(=O)CCc2c3cc(F)ccc3[nH]c2-c2ccccc2)CC1 ZINC000058776097 556791929 /nfs/dbraw/zinc/79/19/29/556791929.db2.gz LVCYQRHBYJOSTP-UHFFFAOYSA-N 0 3 436.575 4.050 50 0 IIAAHN O=c1[nH]c2ccccc2n1CCCN1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000019632896 556833335 /nfs/dbraw/zinc/83/33/35/556833335.db2.gz BAINIUMDFURPJM-UHFFFAOYSA-N 0 3 426.564 4.127 50 0 world IIAAHN Cc1ccc(CN2CCC(CNC(=O)[C@H]3CCCN(c4nc5ccccc5[nH]4)C3)CC2)cc1 ZINC000033071834 556852042 /nfs/dbraw/zinc/85/20/42/556852042.db2.gz BFODXPIHEMQRPR-QHCPKHFHSA-N 0 3 445.611 4.116 50 0 IIAAHN Cn1cc(CN2CCC[C@H](N3CCN(c4ccccc4F)CC3)C2)c(-c2ccccc2)n1 ZINC000019744127 556889573 /nfs/dbraw/zinc/88/95/73/556889573.db2.gz CIXRBKMMWCOMSF-QHCPKHFHSA-N 0 3 433.575 4.013 50 0 IIAAHN O=C1CC[C@H](N2CCN(C/C=C/c3ccccc3)CC2)CCN1Cc1ccc(F)cc1F ZINC000019744685 556891335 /nfs/dbraw/zinc/89/13/35/556891335.db2.gz NFBSHVHZWGONJH-BSBODGDASA-N 0 3 439.550 4.177 50 0 IIAAHN Fc1ccccc1N1CCN([C@@H]2CCCN(Cc3c[nH]nc3C3CCCCC3)C2)CC1 ZINC000019812753 556919527 /nfs/dbraw/zinc/91/95/27/556919527.db2.gz INALVJRNJFEHEZ-JOCHJYFZSA-N 0 3 425.596 4.383 50 0 IIAAHN O=C(CC1C(=O)N(CCc2ccccc2)c2nc3ccccc3n21)Nc1ccc(F)c(F)c1 ZINC000019962173 556955865 /nfs/dbraw/zinc/95/58/65/556955865.db2.gz IATANMOJGUGQJQ-JOCHJYFZSA-N 0 3 446.457 4.474 50 0 IIAAHN Cc1cc(C)cc(NC(=O)CC2C(=O)N(Cc3ccccn3)c3nc4ccccc4n32)c1 ZINC000020103566 556980992 /nfs/dbraw/zinc/98/09/92/556980992.db2.gz XDKLCUMEDHJPOV-JOCHJYFZSA-N 0 3 425.492 4.165 50 0 IIAAHN COCCCN1C(=O)C(CC(=O)Nc2ccccc2C(F)(F)F)n2c3ccccc3nc21 ZINC000020103427 556981128 /nfs/dbraw/zinc/98/11/28/556981128.db2.gz SEVQNGSQWVQQCF-GOSISDBHSA-N 0 3 446.429 4.008 50 0 IIAAHN NC(=O)c1ccc(NC(=O)c2ccc(CN3CCC(Cc4ccccc4)CC3)cc2)cc1 ZINC000020239968 557002302 /nfs/dbraw/zinc/00/23/02/557002302.db2.gz LKCAKUMVNVLPGW-UHFFFAOYSA-N 0 3 427.548 4.493 50 0 IIAAHN COC(=O)c1ccc(CN(C)C(=O)NC[C@@H](c2cccs2)N2CCC(C)CC2)cc1 ZINC000048149681 557045603 /nfs/dbraw/zinc/04/56/03/557045603.db2.gz XUWSBWFNUCPUAH-FQEVSTJZSA-N 0 3 429.586 4.149 50 0 IIAAHN Cc1nc(-c2cc(S(=O)(=O)NCCCN3CCC(C)CC3)c(C)s2)sc1C ZINC000033290106 557072185 /nfs/dbraw/zinc/07/21/85/557072185.db2.gz QCUWOVJXYMWMSB-UHFFFAOYSA-N 0 3 427.661 4.197 50 0 IIAAHN CC(C)c1ccc(NC(=O)CC2C(=O)N(C[C@@H]3CCCO3)c3nc4ccccc4n32)cc1 ZINC000023382118 557089193 /nfs/dbraw/zinc/08/91/93/557089193.db2.gz UQSPCFMYJZDBBH-UGKGYDQZSA-N 0 3 432.524 4.255 50 0 IIAAHN Cc1ccc(NC(=O)CC2C(=O)N(Cc3ccccn3)c3nc4ccccc4n32)c(C)c1 ZINC000023382446 557089891 /nfs/dbraw/zinc/08/98/91/557089891.db2.gz VGZLGMJWAULUHI-JOCHJYFZSA-N 0 3 425.492 4.165 50 0 IIAAHN Cc1ccc(NC(=O)CC2C(=O)N(Cc3ccccn3)c3nc4ccccc4n32)cc1C ZINC000023382431 557089990 /nfs/dbraw/zinc/08/99/90/557089990.db2.gz PKAJJOSBMLVOLU-QFIPXVFZSA-N 0 3 425.492 4.165 50 0 IIAAHN COc1ccccc1[C@@H]1[C@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)C2ON1c1ccccc1 ZINC000101033028 557214859 /nfs/dbraw/zinc/21/48/59/557214859.db2.gz HKVSAYZUUFBPRN-VSKRKVRLSA-N 0 3 434.879 4.400 50 0 IIAAHN O=c1occ(CN2CCc3ccccc3C2)c([O-])c1C[NH+]1CCC(Cc2ccccc2)CC1 ZINC000101373942 557281243 /nfs/dbraw/zinc/28/12/43/557281243.db2.gz RHNNPMNJDZIABY-UHFFFAOYSA-N 0 3 444.575 4.358 50 0 IIAAHN CCCN1CCN(c2ncnc3sc(C(=O)NCc4ccc(Cl)cc4)c(C)c32)CC1 ZINC000033048420 557323128 /nfs/dbraw/zinc/32/31/28/557323128.db2.gz OMJIHJXLZDHRAK-UHFFFAOYSA-N 0 3 444.004 4.115 50 0 IIAAHN CCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccccc4F)[C@H]3C2=O)cc1 ZINC000102760940 557385162 /nfs/dbraw/zinc/38/51/62/557385162.db2.gz ZPTSNQBCAKAQMC-XPWALMASSA-N 0 3 432.451 4.276 50 0 IIAAHN COCCCNC(=O)C1CCN(Cc2cc3ccccc3n2Cc2ccccc2C)CC1 ZINC000008602146 562955823 /nfs/dbraw/zinc/95/58/23/562955823.db2.gz HXUJMPUOYMULSA-UHFFFAOYSA-N 0 3 433.596 4.363 50 0 IIAAHN Cc1cccc([S@](=O)Cc2ccc(C(=O)NC3CCN(Cc4ccccc4)CC3)o2)c1 ZINC000009115376 562967127 /nfs/dbraw/zinc/96/71/27/562967127.db2.gz MSCGFXHORLAVEK-HKBQPEDESA-N 0 3 436.577 4.290 50 0 IIAAHN CC(C)Cn1c2ccccc2nc(-c2ccc(C(=O)NCCN3CCCC[C@@H]3C)cc2)c1=O ZINC000033298564 568626228 /nfs/dbraw/zinc/62/62/28/568626228.db2.gz XYOMMHIDJVVJTG-FQEVSTJZSA-N 0 3 446.595 4.324 50 0 IIAAHN C[C@@H]1CC(=O)Nc2cc(S(=O)(=O)[N-]c3ccc(C[NH+]4CCCCC4)cc3)ccc2S1 ZINC000015730593 568814255 /nfs/dbraw/zinc/81/42/55/568814255.db2.gz AQWLCKKUQQHMFE-MRXNPFEDSA-N 0 3 445.610 4.296 50 0 IIAAHN CN1CCC[C@@H](COC(=O)c2ccc(CNC(N)=O)cc2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000240333493 568911938 /nfs/dbraw/zinc/91/19/38/568911938.db2.gz FDPGNVYSDLXEBN-AZUAARDMSA-N 0 3 449.473 4.114 50 0 IIAAHN CCCN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(OC)cc1)C[C@@H](O)COC ZINC000036306294 568995645 /nfs/dbraw/zinc/99/56/45/568995645.db2.gz RFGDCFCMKOHRFG-HXUWFJFHSA-N 0 3 439.556 4.107 50 0 IIAAHN Cc1ccc(NC(=O)Cn2c(=O)c3c(nc2C(C)C)CCN(Cc2ccccc2)C3)cc1C ZINC000065153601 569111987 /nfs/dbraw/zinc/11/19/87/569111987.db2.gz MCLYLRCFBQFOHT-UHFFFAOYSA-N 0 3 444.579 4.181 50 0 IIAAHN Cc1nn(-c2ccccc2)c2nc(C)cc(-c3nnc(SCCN4CCCCC4)n3C)c12 ZINC000036612121 569123586 /nfs/dbraw/zinc/12/35/86/569123586.db2.gz HSGGEPMGAMHAGL-UHFFFAOYSA-N 0 3 447.612 4.411 50 0 IIAAHN COc1c2c(cc3c1[C@H](Cc1ccc(NC(=O)c4ccccc4)cc1)N(C)CC3)OCO2 ZINC000524730851 569126216 /nfs/dbraw/zinc/12/62/16/569126216.db2.gz ZLTHZTVAVHVGED-NRFANRHFSA-N 0 3 430.504 4.448 50 0 biogenic IIAAHN Cc1cnn([C@@H]2CCN(Cc3ccccc3)C2)c1NC(=O)c1ccc(Br)o1 ZINC000089702562 569161927 /nfs/dbraw/zinc/16/19/27/569161927.db2.gz ARICPHQRPNDGQN-MRXNPFEDSA-N 0 3 429.318 4.246 50 0 IIAAHN C[C@@H]1CCc2c(F)cccc2[C@H]1NCC(=O)N(C)c1ccccc1C(=O)NCc1ccco1 ZINC000095462629 569370198 /nfs/dbraw/zinc/37/01/98/569370198.db2.gz XWWOYBGJNMZRRV-NSYGIPOTSA-N 0 3 449.526 4.225 50 0 IIAAHN CCOc1cccc([C@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2CCCN(C)C)c1 ZINC000002890310 569424443 /nfs/dbraw/zinc/42/44/43/569424443.db2.gz NQEGKRZVOBTSBV-NRFANRHFSA-N 0 3 440.927 4.342 50 0 IIAAHN Cc1ccsc1CN(C)CC(=O)Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1 ZINC000057318500 569430984 /nfs/dbraw/zinc/43/09/84/569430984.db2.gz WPQNOIUBKBYAKL-UHFFFAOYSA-N 0 3 448.636 4.449 50 0 IIAAHN CN(CC(=O)Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1)Cc1ccccc1F ZINC000057315370 569431016 /nfs/dbraw/zinc/43/10/16/569431016.db2.gz INJWTADCCGPXJO-UHFFFAOYSA-N 0 3 446.570 4.218 50 0 IIAAHN CCN(CC)[C@H](CNC(=O)/C=C/c1c(C)nc2sc(C)cn12)c1cccc(OC)c1 ZINC000058590709 569456421 /nfs/dbraw/zinc/45/64/21/569456421.db2.gz HYWCOPSFCFJXFY-RJRNSMGGSA-N 0 3 426.586 4.234 50 0 IIAAHN CN(C)Cc1ccc(-c2ccccc2CNC(=O)CCc2nc(-c3cccnc3)no2)cc1 ZINC000040082865 569486695 /nfs/dbraw/zinc/48/66/95/569486695.db2.gz OFUFXQRXJUYPBY-UHFFFAOYSA-N 0 3 441.535 4.109 50 0 IIAAHN CCOc1ccc(CN2CCC(C(=O)N(C)CCc3ccc(OC)c(OC)c3)CC2)cc1 ZINC000008984088 569494683 /nfs/dbraw/zinc/49/46/83/569494683.db2.gz MINDPPHSAILSFH-UHFFFAOYSA-N 0 3 440.584 4.016 50 0 IIAAHN CCOc1cccc2c1OC1(CCN(CC)CC1)N1N=C(c3ccc4c(c3)OCO4)C[C@H]21 ZINC000010214434 569579190 /nfs/dbraw/zinc/57/91/90/569579190.db2.gz OWMFLSPWXBAVAG-HXUWFJFHSA-N 0 3 435.524 4.170 50 0 IIAAHN O=C(NCc1ccccc1Cl)C(=O)NC[C@H](c1cccc2ccccc21)N1CCCC1 ZINC000010334181 569581125 /nfs/dbraw/zinc/58/11/25/569581125.db2.gz AHTNCTHPSUHKJK-HSZRJFAPSA-N 0 3 435.955 4.063 50 0 IIAAHN CCN1CCN(c2ccc(NC(=O)c3cccnc3SCc3cc(C)on3)cc2)CC1 ZINC000010037401 132334121 /nfs/dbraw/zinc/33/41/21/132334121.db2.gz BWVLYRIYFATQLV-UHFFFAOYSA-N 0 3 437.569 4.065 50 0 IIAAHN CN(C)CCN(Cc1cc(NC(=O)c2cccc(F)c2)ccc1N(C)C)C(=O)C(C)(C)C ZINC000035945502 521749602 /nfs/dbraw/zinc/74/96/02/521749602.db2.gz YIWVHVSMBAFATH-UHFFFAOYSA-N 0 3 442.579 4.080 50 0 IIAAHN CN(CC1CCN(CCc2cccc(C(F)(F)F)c2)CC1)C(=O)c1cn2ccccc2n1 ZINC000012206533 522659654 /nfs/dbraw/zinc/65/96/54/522659654.db2.gz DEBMLCYOQHLGHV-UHFFFAOYSA-N 0 3 444.501 4.380 50 0 IIAAHN CN(CCCNC(=O)c1cnn(-c2cccc(F)c2)c1-n1cccc1)Cc1ccccc1 ZINC000020980623 522767818 /nfs/dbraw/zinc/76/78/18/522767818.db2.gz YJCGNHGPRVCKGN-UHFFFAOYSA-N 0 3 431.515 4.054 50 0 IIAAHN CCn1cc(CN2CCC[C@H](N3CCN(c4cccc(C(F)(F)F)c4)CC3)C2)c(C)n1 ZINC000020995049 523372430 /nfs/dbraw/zinc/37/24/30/523372430.db2.gz ORPQESXOMRTGBT-QFIPXVFZSA-N 0 3 435.538 4.017 50 0 IIAAHN CN(C)C(=O)c1nc2ccc(Cl)cn2c1CNC[C@H](c1ccccc1)N1CCCCC1 ZINC000020452930 524031731 /nfs/dbraw/zinc/03/17/31/524031731.db2.gz VSNMZBSHGDFQME-HXUWFJFHSA-N 0 3 439.991 4.006 50 0 IIAAHN C[C@@H]1CCCCN1CCNC(=O)CC1CCN(C(=O)c2cc3cc(Cl)ccc3[nH]2)CC1 ZINC000035454131 524107537 /nfs/dbraw/zinc/10/75/37/524107537.db2.gz SDOGUMCYJLYUJZ-QGZVFWFLSA-N 0 3 445.007 4.054 50 0 IIAAHN Cc1ccsc1C(=O)N(CCN(C)C)Cc1cc2cc3c(cc2nc1N(C)C)CCC3 ZINC000012122982 525819028 /nfs/dbraw/zinc/81/90/28/525819028.db2.gz HTDCCNWYEAOXDH-UHFFFAOYSA-N 0 3 436.625 4.363 50 0 IIAAHN COc1cccc(CN2CCC(n3nccc3NC(=O)CCOc3ccccc3)CC2)c1 ZINC000012580415 525935154 /nfs/dbraw/zinc/93/51/54/525935154.db2.gz PPFIUFMBFOXHAB-UHFFFAOYSA-N 0 3 434.540 4.136 50 0 IIAAHN O=C(NCCN1CCCCCC1)c1ccc2c(c1)NC(=O)/C(=C/c1ccccc1Cl)O2 ZINC000032983894 526309162 /nfs/dbraw/zinc/30/91/62/526309162.db2.gz JGUJQSFXVPKOJU-JWGURIENSA-N 0 3 439.943 4.318 50 0 IIAAHN O=C(NCc1ccco1)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CCN(C3CCCC3)C[C@H]12 ZINC000035871487 526778238 /nfs/dbraw/zinc/77/82/38/526778238.db2.gz DKNUMTGHKPSIRT-RBBKRZOGSA-N 0 3 447.501 4.220 50 0 IIAAHN OCCN(Cc1cn(Cc2ccccc2)nc1-c1ccc2c(c1)OCO2)Cc1ccccc1 ZINC000012579846 527552245 /nfs/dbraw/zinc/55/22/45/527552245.db2.gz VCNUXPNJNVRMKM-UHFFFAOYSA-N 0 3 441.531 4.322 50 0 IIAAHN CN(C)CCNC(=O)c1csc(-c2ccc(OCc3cc(F)ccc3F)cc2F)n1 ZINC000034713567 555826964 /nfs/dbraw/zinc/82/69/64/555826964.db2.gz BIMDRABHQILELZ-UHFFFAOYSA-N 0 3 435.471 4.098 50 0 IIAAHN COc1ccc(-n2cc(CNCCSc3nccn3C)c(-c3cccc(F)c3)n2)cc1 ZINC000011663358 556344343 /nfs/dbraw/zinc/34/43/43/556344343.db2.gz FGWMEQQKNZDUFH-UHFFFAOYSA-N 0 3 437.544 4.302 50 0 IIAAHN CN(C(=O)CC[C@@H]1CCCN(Cc2nc(-c3ccccc3)cs2)C1)C1CCN(C)CC1 ZINC000011717140 556348478 /nfs/dbraw/zinc/34/84/78/556348478.db2.gz WVIIMWNPIKIHCX-FQEVSTJZSA-N 0 3 440.657 4.355 50 0 IIAAHN COc1ccccc1CCNC(=O)[C@H]1CC12CCN(Cc1c[nH]nc1-c1ccccc1)CC2 ZINC000011789281 556354907 /nfs/dbraw/zinc/35/49/07/556354907.db2.gz IWQDUCUOGBQUJN-HSZRJFAPSA-N 0 3 444.579 4.046 50 0 IIAAHN COc1ccc(CNC(=O)CC[C@@H]2CCCN(Cc3ccc(OC)c(C)c3)C2)c(OC)c1 ZINC000011842547 556365786 /nfs/dbraw/zinc/36/57/86/556365786.db2.gz GKKGXEYTZJAYBP-FQEVSTJZSA-N 0 3 440.584 4.329 50 0 IIAAHN COCCNC(=O)c1ccc(OC)cc1OC1CCN(Cc2ccc(C(C)C)cc2)CC1 ZINC000011842824 556366237 /nfs/dbraw/zinc/36/62/37/556366237.db2.gz QUQIIEROAQJUMD-UHFFFAOYSA-N 0 3 440.584 4.238 50 0 IIAAHN CCOC(=O)[C@]1(Cc2ccccc2)CCCN(Cc2ccc(OC)c(OC)c2OC)C1 ZINC000011873628 556369882 /nfs/dbraw/zinc/36/98/82/556369882.db2.gz QBBIXMHAVMXFJV-VWLOTQADSA-N 0 3 427.541 4.100 50 0 IIAAHN O=C(/C=C/c1ccc(F)c(F)c1)NC[C@H]1CCC2(CCN(Cc3ccccc3F)CC2)O1 ZINC000011882403 556373642 /nfs/dbraw/zinc/37/36/42/556373642.db2.gz MEDMKTJUIWJRKK-CPSHHHPTSA-N 0 3 444.497 4.447 50 0 IIAAHN CC(C)CN1C(=O)N(Cc2ccccn2)C(=O)C12CCN(Cc1c[nH]c3ccccc13)CC2 ZINC000014542650 556426173 /nfs/dbraw/zinc/42/61/73/556426173.db2.gz NKMACIUXISKZJC-UHFFFAOYSA-N 0 3 445.567 4.018 50 0 IIAAHN CC(C)CNC(=O)[C@@H]1C[C@H](COc2cccc(C(F)(F)F)c2)CN(Cc2ccncc2)C1 ZINC000014749009 556442511 /nfs/dbraw/zinc/44/25/11/556442511.db2.gz BWKDBBLUBDASMP-VQTJNVASSA-N 0 3 449.517 4.390 50 0 IIAAHN CCC(=O)N1CCN(CCOc2ccc(CN3CCC(Cc4ccccc4)CC3)cc2)CC1 ZINC000015005282 556481466 /nfs/dbraw/zinc/48/14/66/556481466.db2.gz JBIXTCHXJIVIPW-UHFFFAOYSA-N 0 3 449.639 4.074 50 0 IIAAHN Cc1nc2c(cnn2C(C)C)c(C)c1CCC(=O)NCCCN1CCc2ccccc2C1 ZINC000029839673 556483820 /nfs/dbraw/zinc/48/38/20/556483820.db2.gz NDRWYVUZKKNAHN-UHFFFAOYSA-N 0 3 433.600 4.126 50 0 IIAAHN CC(C)(C)[C@@H](CN1CCc2ccccc2C1)NC(=O)Nc1ccc(C(=O)NC2CC2)cc1 ZINC000072289415 556485201 /nfs/dbraw/zinc/48/52/01/556485201.db2.gz USNZDECHRMSVRC-HSZRJFAPSA-N 0 3 434.584 4.173 50 0 IIAAHN O=C(Nc1ccnn1C1CCN(Cc2ccc(C(F)(F)F)cc2)CC1)c1cccnc1 ZINC000015068518 556494119 /nfs/dbraw/zinc/49/41/19/556494119.db2.gz GSUGWZBPFXKROE-UHFFFAOYSA-N 0 3 429.446 4.386 50 0 IIAAHN O=C([C@@H](NC[C@@H](c1c[nH]c2ccccc21)c1ccccc1)c1ccccc1)N1CCOCC1 ZINC000013163986 556495294 /nfs/dbraw/zinc/49/52/94/556495294.db2.gz GWXPYIKRYGCINP-SQHAQQRYSA-N 0 3 439.559 4.490 50 0 IIAAHN COc1cccc(-c2nn(-c3ccccc3)cc2CN2CCC[C@H](c3nncn3C)C2)c1 ZINC000015073921 556498136 /nfs/dbraw/zinc/49/81/36/556498136.db2.gz WYLJRLMTFUZIFM-FQEVSTJZSA-N 0 3 428.540 4.056 50 0 IIAAHN Cc1ccccc1C(=O)c1cccn1CC(=O)NCCCN(Cc1ccccc1)C(C)C ZINC000005143268 556642335 /nfs/dbraw/zinc/64/23/35/556642335.db2.gz LQBDNWYCFAYHII-UHFFFAOYSA-N 0 3 431.580 4.444 50 0 IIAAHN COc1ccc(Cn2c(C)cc(O)c([C@@H](c3ccncc3)N3CCC(C)CC3)c2=O)cc1 ZINC000038545810 556651356 /nfs/dbraw/zinc/65/13/56/556651356.db2.gz VEHMPIFFULMLDR-RUZDIDTESA-N 0 3 433.552 4.136 50 0 IIAAHN COCCN(C[C@@H]1CN(Cc2ccccc2F)C[C@H]1c1cccc(F)c1)C(=O)C(C)C ZINC000248150427 556669287 /nfs/dbraw/zinc/66/92/87/556669287.db2.gz GTPXADIQRVKYFE-GMAHTHKFSA-N 0 3 430.539 4.311 50 0 IIAAHN CCOc1ccccc1CN1CCC[C@H](c2ccnc(SCCN3CCCC3)n2)C1 ZINC000011910322 556669994 /nfs/dbraw/zinc/66/99/94/556669994.db2.gz JAKSYSAYUARDAT-FQEVSTJZSA-N 0 3 426.630 4.443 50 0 IIAAHN COc1ccc(NC(=O)[C@@H]2C[C@@H](C(C)C)N[C@]23C(=O)Nc2c3cc(C)cc2Cl)cc1 ZINC000248337250 556681019 /nfs/dbraw/zinc/68/10/19/556681019.db2.gz PPNMCXKNCCYTNP-LTMIRXACSA-N 0 3 427.932 4.077 50 0 IIAAHN Cc1ccc(NC(=O)Nc2ccccc2)cc1NC(=O)NC[C@]1(N(C)C)CCSC1 ZINC000072312884 556688145 /nfs/dbraw/zinc/68/81/45/556688145.db2.gz VJWISECAVZWQKF-JOCHJYFZSA-N 0 3 427.574 4.198 50 0 IIAAHN Cc1nc(SCC(=O)N2CCN(C34CC5CC(CC(C5)C3)C4)CC2)[nH]c1CC(C)C ZINC000004625650 556748358 /nfs/dbraw/zinc/74/83/58/556748358.db2.gz ANELSPOGJRDKMT-UHFFFAOYSA-N 0 3 430.662 4.122 50 0 IIAAHN Cc1[nH]c(SCC(=O)N2CCN(C34CC5CC(CC(C5)C3)C4)CC2)nc1CC(C)C ZINC000004625650 556748361 /nfs/dbraw/zinc/74/83/61/556748361.db2.gz ANELSPOGJRDKMT-UHFFFAOYSA-N 0 3 430.662 4.122 50 0 IIAAHN O=C(C[C@@H]1OC(=O)c2ccccc21)Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1 ZINC000058169353 556767684 /nfs/dbraw/zinc/76/76/84/556767684.db2.gz GLNTZZRKANFBLO-VWLOTQADSA-N 0 3 441.531 4.249 50 0 IIAAHN O=C(CC[C@@H]1CCCN(Cc2cccc(Cl)c2)C1)N1CCN(c2ccccn2)CC1 ZINC000023153489 557069783 /nfs/dbraw/zinc/06/97/83/557069783.db2.gz YZIBXSJUVCBMND-FQEVSTJZSA-N 0 3 426.992 4.076 50 0 IIAAHN Cc1ccc(Cl)cc1NC(=O)CC1C(=O)N(C[C@H]2CCCO2)c2nc3ccccc3n21 ZINC000023382256 557089554 /nfs/dbraw/zinc/08/95/54/557089554.db2.gz PARDREORWNDVNY-OXQOHEQNSA-N 0 3 438.915 4.094 50 0 IIAAHN COc1ccc([C@@H](CNC(=O)c2cc(-c3ccncc3)nc3ccccc32)N(C)C)cc1 ZINC000023488145 557094937 /nfs/dbraw/zinc/09/49/37/557094937.db2.gz AGEOTWHYYIBWFW-RUZDIDTESA-N 0 3 426.520 4.338 50 0 IIAAHN O=C1C2ON(c3ccccc3)[C@@H](c3ccco3)[C@H]2C(=O)N1c1ccc(Br)cc1 ZINC000017721259 557112273 /nfs/dbraw/zinc/11/22/73/557112273.db2.gz MZONRPRPYPAYIM-CEXWTWQISA-N 0 3 439.265 4.093 50 0 IIAAHN COc1cccc([C@@H]2[C@@H]3C(=O)N(c4cccc(Cl)c4)C(=O)C3ON2c2ccccc2)c1 ZINC000100934095 557202789 /nfs/dbraw/zinc/20/27/89/557202789.db2.gz FSPQQKSLNXBBCG-BDTNDASRSA-N 0 3 434.879 4.400 50 0 IIAAHN O=C1C2ON(c3ccccc3)[C@@H](c3ccncc3)[C@H]2C(=O)N1c1c(Cl)cccc1Cl ZINC000018130329 557241836 /nfs/dbraw/zinc/24/18/36/557241836.db2.gz MYCSDMQSSHIWLC-WSTZPKSXSA-N 0 3 440.286 4.440 50 0 IIAAHN Cc1ccc(Cl)cc1N1CCN(C(=O)NC2CCN(Cc3ccccc3)CC2)CC1 ZINC000008190015 557253335 /nfs/dbraw/zinc/25/33/35/557253335.db2.gz HWLMFECORSEWSX-UHFFFAOYSA-N 0 3 426.992 4.145 50 0 IIAAHN Cc1cc(C)cc(CN2CCOc3ccc(CN4CCN(c5ccccn5)CC4)cc3C2)c1 ZINC000014977443 557336254 /nfs/dbraw/zinc/33/62/54/557336254.db2.gz BTNLANFLIJXFJV-UHFFFAOYSA-N 0 3 442.607 4.415 50 0 IIAAHN CCc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4cccc(OC)c4)[C@@H]3C2=O)cc1 ZINC000102706436 557366472 /nfs/dbraw/zinc/36/64/72/557366472.db2.gz ZOJIDIFKCOZITF-RBZQAINGSA-N 0 3 428.488 4.309 50 0 IIAAHN CCCN(CC(=O)N1CCc2sccc2[C@H]1COc1ccc(C)cc1C)C[C@H](O)CC ZINC000105002692 557470228 /nfs/dbraw/zinc/47/02/28/557470228.db2.gz NUBJGLANUMUIIK-IFMALSPDSA-N 0 3 444.641 4.353 50 0 IIAAHN COc1ccc([C@@H]2[C@H](COC(=O)c3cc(N4CCOC4=O)ccc3F)CCCN2C)cc1 ZINC000107067843 557534606 /nfs/dbraw/zinc/53/46/06/557534606.db2.gz WNDXHJZUXMJBKW-HTAPYJJXSA-N 0 3 442.487 4.031 50 0 IIAAHN COc1cccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc(Cl)cc4)[C@@H]3C2=O)c1 ZINC000229975064 557834527 /nfs/dbraw/zinc/83/45/27/557834527.db2.gz WOETXSICZKRVLL-BHDDXSALSA-N 0 3 434.879 4.400 50 0 IIAAHN COc1cc(NC(=O)N[C@@H](C)c2c3c(sc2-n2cccc2)CN(C)CC3)cc(OC)c1 ZINC000008583924 562949940 /nfs/dbraw/zinc/94/99/40/562949940.db2.gz KYOQFBMBDIWORM-HNNXBMFYSA-N 0 3 440.569 4.427 50 0 IIAAHN CCOC(=O)C1CCN(C2CCN(C(=O)c3oc4c(ccc(C)c4C)c3C)CC2)CC1 ZINC000014972853 563016597 /nfs/dbraw/zinc/01/65/97/563016597.db2.gz KSPOSLBIKHXOFS-UHFFFAOYSA-N 0 3 426.557 4.238 50 0 IIAAHN CN(C)CCN(Cc1ccco1)C(=O)c1oc2ccccc2c1NC(=O)Cc1ccccc1 ZINC000015727937 568812817 /nfs/dbraw/zinc/81/28/17/568812817.db2.gz GCCBDSWBRYBIMJ-UHFFFAOYSA-N 0 3 445.519 4.411 50 0 IIAAHN CCc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(O)c(OC)c4)[C@H]3C2=O)cc1 ZINC000239415462 568911535 /nfs/dbraw/zinc/91/15/35/568911535.db2.gz UNADECRQZGYGGY-TZRRMPRUSA-N 0 3 444.487 4.014 50 0 IIAAHN CCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccccc4F)[C@H]3C2=O)cc1 ZINC000245313078 568914745 /nfs/dbraw/zinc/91/47/45/568914745.db2.gz ZPTSNQBCAKAQMC-DNVJHFABSA-N 0 3 432.451 4.276 50 0 IIAAHN CCC[C@@H](O)CN(CC(=O)N1CCc2sccc2[C@@H]1COc1ccccc1)CC1CC1 ZINC000036309076 568995590 /nfs/dbraw/zinc/99/55/90/568995590.db2.gz JDZXGQRHJNQYGL-OFNKIYASSA-N 0 3 442.625 4.126 50 0 IIAAHN Cc1ccccc1Oc1nccnc1SCC(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000065111176 569106377 /nfs/dbraw/zinc/10/63/77/569106377.db2.gz OZFUTHLWRVBWJW-UHFFFAOYSA-N 0 3 448.592 4.450 50 0 IIAAHN Cc1ccc(NC(=O)Cn2c(=O)c3c(nc2C(C)C)CCN(Cc2ccccc2)C3)c(F)c1 ZINC000065153620 569112046 /nfs/dbraw/zinc/11/20/46/569112046.db2.gz STSQAFDJFIXPLT-UHFFFAOYSA-N 0 3 448.542 4.011 50 0 IIAAHN Cc1cccc(CN(C(=O)c2ccccc2)c2ccc(CC(=O)NCCN(C)C)cc2)c1 ZINC000037279337 569145587 /nfs/dbraw/zinc/14/55/87/569145587.db2.gz NBADITCDTYLXJQ-UHFFFAOYSA-N 0 3 429.564 4.062 50 0 IIAAHN N=C1NC(SCC(=O)Nc2cc(Cl)ccc2Cl)=N[C@@H](c2c[nH]c3ccccc32)N1 ZINC000013579258 569156191 /nfs/dbraw/zinc/15/61/91/569156191.db2.gz YFCXVBZPZOFTHR-KRWDZBQOSA-N 0 3 447.351 4.119 50 0 IIAAHN C[C@H](NC(=O)[C@@H]1CCCN1C1CCN(CC(F)(F)F)CC1)c1ccc2c(c1)CCCC2 ZINC000089905066 569167136 /nfs/dbraw/zinc/16/71/36/569167136.db2.gz NEFHOOWMPJESDE-JTSKRJEESA-N 0 3 437.550 4.234 50 0 IIAAHN C[C@H](NC(=O)[C@H]1CCCN1C1CCN(CC(F)(F)F)CC1)c1ccc2c(c1)CCCC2 ZINC000089905068 569167221 /nfs/dbraw/zinc/16/72/21/569167221.db2.gz NEFHOOWMPJESDE-HTAPYJJXSA-N 0 3 437.550 4.234 50 0 IIAAHN COc1ccc([C@@H](CNC(=O)c2cc3ccccc3cc2NC(=O)C(C)C)N(C)C)cc1 ZINC000079095446 569325239 /nfs/dbraw/zinc/32/52/39/569325239.db2.gz HSZBSZFFUIHVLV-XMMPIXPASA-N 0 3 433.552 4.476 50 0 IIAAHN CN(C)CCNC(=O)c1ccc2c(c1)N(C)C(=O)/C(=C/c1ccc(C(F)(F)F)cc1)S2 ZINC000020180515 569355130 /nfs/dbraw/zinc/35/51/30/569355130.db2.gz MPTOBBISAJKLKD-UNOMPAQXSA-N 0 3 449.498 4.106 50 0 IIAAHN O=C(CCc1ccc2ccccc2c1)N1CCC[C@@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000095393010 569363406 /nfs/dbraw/zinc/36/34/06/569363406.db2.gz QCVMTZXBRYLGQZ-DEOSSOPVSA-N 0 3 442.607 4.228 50 0 IIAAHN CCN1CCC[C@@H]1CNC(=O)[C@H]1c2ccccc2C(=O)N(CC(C)C)[C@@H]1c1cccs1 ZINC000020508327 569369661 /nfs/dbraw/zinc/36/96/61/569369661.db2.gz NOQABQGBSTZXBC-YFXJRYMSSA-N 0 3 439.625 4.285 50 0 IIAAHN CCN(CC)[C@H](CNC(=O)/C=C\c1c(C)nc2sc(C)cn12)c1cccc(OC)c1 ZINC000096129772 569385737 /nfs/dbraw/zinc/38/57/37/569385737.db2.gz HYWCOPSFCFJXFY-AXUYNXDZSA-N 0 3 426.586 4.234 50 0 IIAAHN Cc1nc(-c2ccc3c(c2)CCN3CC(=O)NC2CCN(Cc3ccccc3)CC2)cs1 ZINC000008747196 569473092 /nfs/dbraw/zinc/47/30/92/569473092.db2.gz AHODJGXIECNLJD-UHFFFAOYSA-N 0 3 446.620 4.262 50 0 IIAAHN O=C(NCCCN1CCc2ccccc2C1)c1ccc2nc(N3CCCCC3)sc2c1 ZINC000008912704 569485126 /nfs/dbraw/zinc/48/51/26/569485126.db2.gz LHODTAJHEFYIES-UHFFFAOYSA-N 0 3 434.609 4.465 50 0 IIAAHN CCN1CCC2(CC1)Oc1ccc(Br)cc1[C@@H]1CC(c3ccccn3)=NN12 ZINC000008970775 569492015 /nfs/dbraw/zinc/49/20/15/569492015.db2.gz GWNVRXFRJMDRCS-IBGZPJMESA-N 0 3 427.346 4.200 50 0 IIAAHN COc1ccc(NC(=O)[C@@H]2C[C@H](C(C)C)N[C@]23C(=O)Nc2c3cc(C)cc2Cl)cc1 ZINC000008971239 569492750 /nfs/dbraw/zinc/49/27/50/569492750.db2.gz PPNMCXKNCCYTNP-GWJPWWOOSA-N 0 3 427.932 4.077 50 0 IIAAHN O=C(Cn1ccc2c1cccc2Br)NC1CCN(Cc2ccccc2)CC1 ZINC000040282819 569497789 /nfs/dbraw/zinc/49/77/89/569497789.db2.gz UZLFFXIOANRQDT-UHFFFAOYSA-N 0 3 426.358 4.185 50 0 IIAAHN CCC[C@H](O)CN(CC(=O)N1CCc2sccc2[C@H]1COc1ccccc1)CC1CC1 ZINC000245327421 569503674 /nfs/dbraw/zinc/50/36/74/569503674.db2.gz JDZXGQRHJNQYGL-NZQKXSOJSA-N 0 3 442.625 4.126 50 0 IIAAHN CN(C)CCCN1C(=O)c2oc3ccccc3c(=O)c2[C@H]1c1ccc(Br)cc1 ZINC000009158411 569508555 /nfs/dbraw/zinc/50/85/55/569508555.db2.gz KIGBPDKVCVZRSZ-LJQANCHMSA-N 0 3 441.325 4.052 50 0 IIAAHN CCN(CC)[C@@H](CNc1cnn(-c2nc3ccccc3[nH]2)c(=O)c1Cl)c1ccccc1 ZINC000009588636 569549880 /nfs/dbraw/zinc/54/98/80/569549880.db2.gz RPLXGGBESMHGIR-FQEVSTJZSA-N 0 3 436.947 4.257 50 0 IIAAHN Cc1sc2ncnc(SCC(=O)NC3CCN(Cc4ccccc4)CC3)c2c1C ZINC000009608958 569552274 /nfs/dbraw/zinc/55/22/74/569552274.db2.gz ANRTTWKLBFUPOL-UHFFFAOYSA-N 0 3 426.611 4.181 50 0 IIAAHN COc1ccc2sc(N(Cc3ccccn3)C(=O)C3COc4ccccc4O3)nc2c1 ZINC000010187595 569578663 /nfs/dbraw/zinc/57/86/63/569578663.db2.gz RVWQAQNXOIJWER-FQEVSTJZSA-N 0 3 433.489 4.073 50 0 IIAAHN CSc1nc2c(sc3nc(C(C)C)c4c(c32)CC(C)(C)OC4)c(N2CCNCC2)n1 ZINC000002401723 132253935 /nfs/dbraw/zinc/25/39/35/132253935.db2.gz OQSIKNYZCKVSND-UHFFFAOYSA-N 0 3 443.642 4.346 50 0 IIAAHN CCN1CCN(c2ccc(NC(=O)c3ccc(C)c(NC(=O)c4ccco4)c3)cc2)CC1 ZINC000009716802 132327408 /nfs/dbraw/zinc/32/74/08/132327408.db2.gz NXACPKHNFDZHSE-UHFFFAOYSA-N 0 3 432.524 4.235 50 0 IIAAHN Cc1cc2nc(N3CCC(N4CCC(Oc5cccnc5)CC4)CC3)nc(C)c2cc1C ZINC000011790747 132339849 /nfs/dbraw/zinc/33/98/49/132339849.db2.gz NMRXNBAUZUCDFD-UHFFFAOYSA-N 0 3 431.584 4.462 50 0 IIAAHN CCN(CC)[C@@H](CNC(=O)c1ccccc1SCC(=O)N1CCCC1)c1ccccc1 ZINC000036063070 520837037 /nfs/dbraw/zinc/83/70/37/520837037.db2.gz XEUKLLQNCZWJMC-QFIPXVFZSA-N 0 3 439.625 4.214 50 0 IIAAHN CCC(CC)[C@@H](CNc1cnn(-c2ccc(C(F)(F)F)cn2)c(=O)c1Cl)N(C)C ZINC000012564176 521605050 /nfs/dbraw/zinc/60/50/50/521605050.db2.gz VMALLNYSOGJCMR-OAHLLOKOSA-N 0 3 431.890 4.078 50 0 IIAAHN CCC(CC)[C@H](CNc1cnn(-c2ccc(C(F)(F)F)cn2)c(=O)c1Cl)N(C)C ZINC000012564178 521617899 /nfs/dbraw/zinc/61/78/99/521617899.db2.gz VMALLNYSOGJCMR-HNNXBMFYSA-N 0 3 431.890 4.078 50 0 IIAAHN CCCn1c2ccccc2nc(-c2ccc(C(=O)NCCN3CCCC[C@H]3C)cc2)c1=O ZINC000033298527 521638681 /nfs/dbraw/zinc/63/86/81/521638681.db2.gz QDJPJAFOVMIXEA-LJQANCHMSA-N 0 3 432.568 4.078 50 0 IIAAHN COCc1ccc(CN(C[C@H]2CCCO2)CC2CCN(Cc3ccccc3F)CC2)o1 ZINC000012431369 522969748 /nfs/dbraw/zinc/96/97/48/522969748.db2.gz QDHPGEPGOTVXHU-JOCHJYFZSA-N 0 3 430.564 4.458 50 0 IIAAHN CN(Cc1ccccn1)C(=O)c1ccc(OC2CCN(CCc3ccccc3)CC2)cc1 ZINC000012305778 523398197 /nfs/dbraw/zinc/39/81/97/523398197.db2.gz DVJRLTCNBNPUHI-UHFFFAOYSA-N 0 3 429.564 4.440 50 0 IIAAHN COCCN(CC1CCN(Cc2ccccc2OC)CC1)C(=O)c1csc(C(C)C)n1 ZINC000012315259 523688334 /nfs/dbraw/zinc/68/83/34/523688334.db2.gz MPBFSFQYBVZKIH-UHFFFAOYSA-N 0 3 445.629 4.276 50 0 IIAAHN COc1ccc(CC2(CO)CCN(Cc3cccn3-c3ccc(Cl)cn3)CC2)cc1 ZINC000012373087 523914263 /nfs/dbraw/zinc/91/42/63/523914263.db2.gz QXPDRNLMTGWUIV-UHFFFAOYSA-N 0 3 425.960 4.352 50 0 IIAAHN COc1ccccc1C(=O)Nc1ccnn1C1CCN(Cc2cn(C)c3ccccc23)CC1 ZINC000012435357 524359798 /nfs/dbraw/zinc/35/97/98/524359798.db2.gz BJTKXFBFOMTTGV-UHFFFAOYSA-N 0 3 443.551 4.473 50 0 IIAAHN Cc1cc(C)n(CCNC(=O)c2ccc(OC3CCN(CCc4ccccc4)CC3)cc2)n1 ZINC000012439240 524529673 /nfs/dbraw/zinc/52/96/73/524529673.db2.gz WBBNAYWNEHHUEI-UHFFFAOYSA-N 0 3 446.595 4.016 50 0 IIAAHN COc1cccc(-c2nn(-c3ccccc3)cc2CN2CCCC[C@H]2CCNC(C)=O)c1 ZINC000012718259 525729886 /nfs/dbraw/zinc/72/98/86/525729886.db2.gz ARDKMSQFALDPKT-QHCPKHFHSA-N 0 3 432.568 4.429 50 0 IIAAHN COc1cccc(C(=O)N(CCN(C)C)Cc2csc(COc3cccc(C)c3)n2)c1 ZINC000036031754 525792969 /nfs/dbraw/zinc/79/29/69/525792969.db2.gz SIJDNXPURVNMFU-UHFFFAOYSA-N 0 3 439.581 4.243 50 0 IIAAHN COCC(=O)N(c1ccc(OC)c(OC)c1)C1CCN(Cc2ccc(C(C)C)cc2)CC1 ZINC000034682876 555817533 /nfs/dbraw/zinc/81/75/33/555817533.db2.gz QGFAKMWGHCOZMD-UHFFFAOYSA-N 0 3 440.584 4.471 50 0 IIAAHN CCN(CC)CC(=O)Nc1ccc(Oc2ccc(NC(=O)CN(CC)CC)cc2)cc1 ZINC000004990721 556025853 /nfs/dbraw/zinc/02/58/53/556025853.db2.gz YTNVBTZPJWURHB-UHFFFAOYSA-N 0 3 426.561 4.040 50 0 IIAAHN CCOc1ccc(CN2CCC(n3nccc3NC(=O)[C@@H](OC)c3ccccc3)CC2)cc1 ZINC000011816562 556359099 /nfs/dbraw/zinc/35/90/99/556359099.db2.gz FZHOTNKZLXDMNJ-VWLOTQADSA-N 0 3 448.567 4.445 50 0 IIAAHN COc1ccc(CNC(=O)CC[C@H]2CCCN(Cc3ccc(OC)c(C)c3)C2)c(OC)c1 ZINC000011842546 556365733 /nfs/dbraw/zinc/36/57/33/556365733.db2.gz GKKGXEYTZJAYBP-HXUWFJFHSA-N 0 3 440.584 4.329 50 0 IIAAHN CO[C@@H](C(=O)Nc1ccnn1C1CCN(Cc2cc(C)c(O)c(C)c2)CC1)c1ccccc1 ZINC000011879464 556371687 /nfs/dbraw/zinc/37/16/87/556371687.db2.gz MKLORABYUNRCIC-RUZDIDTESA-N 0 3 448.567 4.369 50 0 IIAAHN CN(C(=O)CC[C@H]1CCCN(Cc2ccccc2C(F)(F)F)C1)C1CCN(C)CC1 ZINC000011933934 556377320 /nfs/dbraw/zinc/37/73/20/556377320.db2.gz HMMVJUZENFRKSJ-GOSISDBHSA-N 0 3 425.539 4.250 50 0 IIAAHN Cc1cc(C)n(CCN(C)Cc2cn(Cc3ccccc3)nc2-c2ccc3c(c2)OCO3)n1 ZINC000011949824 556380353 /nfs/dbraw/zinc/38/03/53/556380353.db2.gz IPKDGDBKBGCVHA-UHFFFAOYSA-N 0 3 443.551 4.272 50 0 IIAAHN CCOC(=O)c1cnn(-c2nc(-c3ccccc3)cs2)c1CN[C@@H]1CCOC(C)(C)C1 ZINC000012055767 556394275 /nfs/dbraw/zinc/39/42/75/556394275.db2.gz BRBRCVSJYMUOEW-QGZVFWFLSA-N 0 3 440.569 4.220 50 0 IIAAHN O=C(NCCc1ccccc1)[C@@H]1C[C@H](COc2cccc(F)c2)CN(Cc2ccncc2)C1 ZINC000014532966 556421610 /nfs/dbraw/zinc/42/16/10/556421610.db2.gz MVPXUHDYVJPBLF-BJKOFHAPSA-N 0 3 447.554 4.097 50 0 IIAAHN CC(C)CCN1C(=O)N(CCCc2ccncc2)C(=O)C12CCN(Cc1ccccc1)CC2 ZINC000014534984 556422841 /nfs/dbraw/zinc/42/28/41/556422841.db2.gz MSSIZEMKHRWIHX-UHFFFAOYSA-N 0 3 448.611 4.359 50 0 IIAAHN CCc1ccc([C@H](CNC(=O)c2cc(-c3ccc4c(c3)OCCO4)on2)N2CCCC2)cc1 ZINC000028293184 556451119 /nfs/dbraw/zinc/45/11/19/556451119.db2.gz MKXDTMCXYRLPSV-QFIPXVFZSA-N 0 3 447.535 4.242 50 0 IIAAHN CC(=O)N[C@@H](CC(C)C)c1nnc2n1CCN(Cc1ccc(-c3ccccc3)cc1)CC2 ZINC000014879875 556453280 /nfs/dbraw/zinc/45/32/80/556453280.db2.gz WYVHNOKIWDNRCP-DEOSSOPVSA-N 0 3 431.584 4.227 50 0 IIAAHN O=C(Nc1ccnn1C1CCN(Cc2cc3ccccc3o2)CC1)c1ccc2c(c1)OCO2 ZINC000014964986 556465394 /nfs/dbraw/zinc/46/53/94/556465394.db2.gz QQNLBYJAZBZLGH-UHFFFAOYSA-N 0 3 444.491 4.447 50 0 IIAAHN O=C(CCN1CCC(C(=O)N2CCCCCC2)CC1)Nc1cc(Cl)ccc1Cl ZINC000032870885 556470911 /nfs/dbraw/zinc/47/09/11/556470911.db2.gz ADWOBWUIOMAVPN-UHFFFAOYSA-N 0 3 426.388 4.437 50 0 IIAAHN COc1ccc([C@H](CNC(=O)c2ccc3c(c2)C[C@@H](c2ccccc2)OC3=O)N(C)C)cc1 ZINC000013128562 556477815 /nfs/dbraw/zinc/47/78/15/556477815.db2.gz FUVDNZQCNSVZDX-DQEYMECFSA-N 0 3 444.531 4.182 50 0 IIAAHN Cc1ccc(CN2CC[C@@H](N3CCN(c4nc5ccccc5s4)CC3)CCC2=O)cc1 ZINC000015003161 556480828 /nfs/dbraw/zinc/48/08/28/556480828.db2.gz ADIFSPPRFDOTON-NRFANRHFSA-N 0 3 434.609 4.308 50 0 IIAAHN O=C(NCc1cccnc1)c1cc2cc(C3(O)CCN(Cc4ccccc4)CC3)ccc2o1 ZINC000015068238 556494161 /nfs/dbraw/zinc/49/41/61/556494161.db2.gz AOGKKUCVSRVQDW-UHFFFAOYSA-N 0 3 441.531 4.241 50 0 IIAAHN O=C(Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1)c1cnc2ccccc2c1O ZINC000032710204 556502625 /nfs/dbraw/zinc/50/26/25/556502625.db2.gz YQKOVMDBZRYRDX-UHFFFAOYSA-N 0 3 438.531 4.103 50 0 IIAAHN CCCNCC(=O)Nc1sc2c(c1C(=O)Nc1ccc(OCC)cc1)CC[C@H](C)C2 ZINC000004554387 556503200 /nfs/dbraw/zinc/50/32/00/556503200.db2.gz IMBOPHXYSXFLKR-HNNXBMFYSA-N 0 3 429.586 4.462 50 0 IIAAHN COCCCN1C(=O)C(CC(=O)Nc2cccc3ccccc32)n2c3ccccc3nc21 ZINC000030937520 556515241 /nfs/dbraw/zinc/51/52/41/556515241.db2.gz UZUAIXFSFCSJJF-QFIPXVFZSA-N 0 3 428.492 4.143 50 0 IIAAHN CN(C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)c1csc(COc2ccc(F)cc2)n1 ZINC000072303677 556547927 /nfs/dbraw/zinc/54/79/27/556547927.db2.gz WEVFEZHVTPNGLS-IBGZPJMESA-N 0 3 439.556 4.455 50 0 IIAAHN COCCCN1CCCN([C@H](C(=O)Nc2ccc(OC)c(Cl)c2)c2ccccc2)CC1 ZINC000072308505 556565245 /nfs/dbraw/zinc/56/52/45/556565245.db2.gz YROVAUOQIXSKLJ-QHCPKHFHSA-N 0 3 445.991 4.073 50 0 IIAAHN CCN(CC)CCN1C(=O)c2oc3ccc(F)cc3c(=O)c2[C@@H]1c1cccc(Cl)c1 ZINC000016750977 556637421 /nfs/dbraw/zinc/63/74/21/556637421.db2.gz WOBFTHRKZNFANM-FQEVSTJZSA-N 0 3 428.891 4.473 50 0 IIAAHN CCCN1CCN(c2ncnc3sc(C(=O)NCc4ccccc4Cl)c(C)c32)CC1 ZINC000033048419 556744983 /nfs/dbraw/zinc/74/49/83/556744983.db2.gz NFPBQGMKVYPYTD-UHFFFAOYSA-N 0 3 444.004 4.115 50 0 IIAAHN C[C@@H](Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1)C(=O)NCc1ccccc1 ZINC000058170522 556767965 /nfs/dbraw/zinc/76/79/65/556767965.db2.gz LIBXGNUNXRINNW-JOCHJYFZSA-N 0 3 428.580 4.126 50 0 IIAAHN O=C(Cc1noc2ccccc21)Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1 ZINC000058175493 556769348 /nfs/dbraw/zinc/76/93/48/556769348.db2.gz UXZKVPWPWTYKJV-UHFFFAOYSA-N 0 3 426.520 4.331 50 0 IIAAHN C[C@H]1CN(CC2CCN(C(=O)c3cc(-c4ccco4)nc4ccccc43)CC2)C[C@H](C)O1 ZINC000058342815 556782186 /nfs/dbraw/zinc/78/21/86/556782186.db2.gz YNHGJBWDMJFRPQ-OALUTQOASA-N 0 3 433.552 4.456 50 0 IIAAHN Cc1ccc(NC(=O)N2CCN(c3cc(N4CCCCC4)nc(C)n3)CC2)cc1Cl ZINC000065363902 556835421 /nfs/dbraw/zinc/83/54/21/556835421.db2.gz LHFXTSMMCKDVGY-UHFFFAOYSA-N 0 3 428.968 4.091 50 0 IIAAHN O=C1CC[C@@H](N2CCN(C/C=C/c3ccccc3)CC2)CCN1Cc1ccc(F)cc1F ZINC000019744687 556891190 /nfs/dbraw/zinc/89/11/90/556891190.db2.gz NFBSHVHZWGONJH-PTGVWUEVSA-N 0 3 439.550 4.177 50 0 IIAAHN COCCCN1C(=O)C(CC(=O)Nc2ccc(Cl)c(Cl)c2)n2c3ccccc3nc21 ZINC000020103441 556981100 /nfs/dbraw/zinc/98/11/00/556981100.db2.gz JFCDRMZCXROGLE-SFHVURJKSA-N 0 3 447.322 4.296 50 0 IIAAHN COc1cc(/C=C/CN2CCC[C@@H](N3CCN(c4cccc(Cl)c4)CC3)C2)ccc1O ZINC000020149578 556990740 /nfs/dbraw/zinc/99/07/40/556990740.db2.gz YJMMIKOUOSGIHT-UUCGHWEQSA-N 0 3 442.003 4.354 50 0 IIAAHN Cc1nn(-c2cccc(F)c2)c2c1C(C(=O)c1ccc(Br)cc1)CC(=O)N2 ZINC000046057708 557029236 /nfs/dbraw/zinc/02/92/36/557029236.db2.gz USJLTJIETPPSJN-INIZCTEOSA-N 0 3 428.261 4.391 50 0 IIAAHN O=C(CC[C@H]1CCCN(Cc2cccc(Cl)c2)C1)N1CCN(c2ccccn2)CC1 ZINC000023153490 557069766 /nfs/dbraw/zinc/06/97/66/557069766.db2.gz YZIBXSJUVCBMND-HXUWFJFHSA-N 0 3 426.992 4.076 50 0 IIAAHN Cc1ccc(NC(=O)CC2C(=O)N(C[C@@H]3CCCO3)c3nc4ccccc4n32)c(Cl)c1 ZINC000023382282 557089673 /nfs/dbraw/zinc/08/96/73/557089673.db2.gz PWLNDPWHOUZPKF-MGPUTAFESA-N 0 3 438.915 4.094 50 0 IIAAHN O[C@@H](COCc1ccccc1)CN1CCC(C(O)(c2ccccc2)c2ccccc2)CC1 ZINC000023408323 557090636 /nfs/dbraw/zinc/09/06/36/557090636.db2.gz GIINTQDMUFJGOL-HHHXNRCGSA-N 0 3 431.576 4.212 50 0 IIAAHN CCN(CC)[C@H](CNC(=O)NCc1ccc(NC(=O)c2ccco2)cc1)c1ccccc1 ZINC000011552530 557183638 /nfs/dbraw/zinc/18/36/38/557183638.db2.gz MOHPFQFFJSPRCC-JOCHJYFZSA-N 0 3 434.540 4.414 50 0 IIAAHN CC(C)C[C@@H]1[C@H]2C(=O)N(c3ccc(Br)cc3)C(=O)C2ON1c1ccccc1 ZINC000018114548 557237617 /nfs/dbraw/zinc/23/76/17/557237617.db2.gz OJTVJQQTIRDHQH-QRVBRYPASA-N 0 3 429.314 4.174 50 0 IIAAHN CC(C)[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000027604960 557267158 /nfs/dbraw/zinc/26/71/58/557267158.db2.gz MTTBXRAOILEPBF-ICSRJNTNSA-N 0 3 434.005 4.109 50 0 IIAAHN Cc1cc(C)c(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc(O)cc4)[C@@H]3C2=O)c(C)c1 ZINC000102706502 557366425 /nfs/dbraw/zinc/36/64/25/557366425.db2.gz QDYNHOKMRBDKAV-QPTUXGOLSA-N 0 3 428.488 4.369 50 0 IIAAHN CCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4cccc(OC)c4)[C@H]3C2=O)cc1 ZINC000102707088 557366742 /nfs/dbraw/zinc/36/67/42/557366742.db2.gz MSOIFKSYWYSVLK-TZRRMPRUSA-N 0 3 444.487 4.145 50 0 IIAAHN CCOc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(F)cc4)C(=O)C3ON2c2ccccc2)cc1 ZINC000102761293 557385176 /nfs/dbraw/zinc/38/51/76/557385176.db2.gz HQSPYXVGXOZEBV-DNVJHFABSA-N 0 3 432.451 4.276 50 0 IIAAHN C/C(=C\c1ccccc1)CN1CCc2nnc([C@@H](CC(C)C)NC(=O)c3ccco3)n2CC1 ZINC000012042137 557525390 /nfs/dbraw/zinc/52/53/90/557525390.db2.gz OXKAHCNZPABTOH-YMQJMOIJSA-N 0 3 447.583 4.350 50 0 IIAAHN O=C(NC[C@H](c1ccccc1)N1CCCCCC1)c1cn(CCCc2ccccc2)nn1 ZINC000012075929 557527010 /nfs/dbraw/zinc/52/70/10/557527010.db2.gz MPPXVCNKQMOGNE-RUZDIDTESA-N 0 3 431.584 4.258 50 0 IIAAHN COc1ccc([C@@H]2[C@@H](COC(=O)c3cc(N4CCOC4=O)ccc3F)CCCN2C)cc1 ZINC000107067846 557534550 /nfs/dbraw/zinc/53/45/50/557534550.db2.gz WNDXHJZUXMJBKW-VGOFRKELSA-N 0 3 442.487 4.031 50 0 IIAAHN COc1ccc(CN2CCC[C@H](c3ccnc(SCCN4CCCC4)n3)C2)c(OC)c1 ZINC000014991624 557836880 /nfs/dbraw/zinc/83/68/80/557836880.db2.gz CJOCVDOUGZQDJF-IBGZPJMESA-N 0 3 442.629 4.061 50 0 IIAAHN CC(C)(C)OC(=O)N1CCC[C@H](N(CCOc2ccccc2)Cc2cncnc2)CC1 ZINC000241653391 557846803 /nfs/dbraw/zinc/84/68/03/557846803.db2.gz PUUBTFHNBRNYAT-NRFANRHFSA-N 0 3 426.561 4.147 50 0 IIAAHN Cc1sc(Br)c(C(=O)N2CCC(CN3C[C@@H](C)O[C@@H](C)C3)CC2)c1C ZINC000241784823 557846816 /nfs/dbraw/zinc/84/68/16/557846816.db2.gz RXAYQWSDHYABQT-BETUJISGSA-N 0 3 429.424 4.089 50 0 IIAAHN COc1ccc([C@H]2c3c(n(C)c4c3[C@H](c3ccc(OC)cc3)N(C)CC4)CCN2C)cc1 ZINC000002295267 562926841 /nfs/dbraw/zinc/92/68/41/562926841.db2.gz LCCSPYUGQUDIOH-SVBPBHIXSA-N 0 3 431.580 4.197 50 0 IIAAHN COc1ccc2nc(N(Cc3cccnc3)C(=O)C3COc4ccccc4O3)sc2c1 ZINC000008601601 562955511 /nfs/dbraw/zinc/95/55/11/562955511.db2.gz GMIZBGPTHGISRP-FQEVSTJZSA-N 0 3 433.489 4.073 50 0 IIAAHN Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000025080151 568635541 /nfs/dbraw/zinc/63/55/41/568635541.db2.gz SQXAXTSENLMRQP-QFIPXVFZSA-N 0 3 447.608 4.447 50 0 IIAAHN CC(C)[C@H](NC(=O)c1ccco1)C(=O)NCc1ccccc1-c1ccc(CN(C)C)cc1 ZINC000025521339 568661173 /nfs/dbraw/zinc/66/11/73/568661173.db2.gz QLPCKQWWQKMCTO-DEOSSOPVSA-N 0 3 433.552 4.079 50 0 IIAAHN O=C(NCC1CCN(Cc2cccc(F)c2)CC1)c1noc2c1CCc1sccc1-2 ZINC000015733310 568815597 /nfs/dbraw/zinc/81/55/97/568815597.db2.gz DQFBSCCJKVJGSE-UHFFFAOYSA-N 0 3 425.529 4.283 50 0 IIAAHN COc1ccc(NC(=O)[C@@H]2C[C@@H](CC(C)C)N[C@@]23C(=O)Nc2c3cc(C)cc2Cl)cc1 ZINC000015971592 568861427 /nfs/dbraw/zinc/86/14/27/568861427.db2.gz VRKKVUUNLQWSCP-LNZPYGSCSA-N 0 3 441.959 4.467 50 0 IIAAHN COc1ccc(OC[C@H](O)CN(Cc2ccc3c(c2)OCO3)Cc2ccccc2C)cc1 ZINC000036104625 568953266 /nfs/dbraw/zinc/95/32/66/568953266.db2.gz FLRQUGAQJIALSU-JOCHJYFZSA-N 0 3 435.520 4.174 50 0 IIAAHN CCCC(=O)OC[C@H](O)CN(Cc1c(-c2ccccc2)noc1N(CC)CC)CC1CC1 ZINC000036246104 568981671 /nfs/dbraw/zinc/98/16/71/568981671.db2.gz SCZMDTWYRCHZMS-OAQYLSRUSA-N 0 3 443.588 4.104 50 0 IIAAHN CC(C)CCNC(=O)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CCN(C3CCCC3)C[C@@H]12 ZINC000169679288 568990879 /nfs/dbraw/zinc/99/08/79/568990879.db2.gz VPVXXTXZQRMNHA-UNMCSNQZSA-N 0 3 437.550 4.473 50 0 IIAAHN CCC[C@H](O)CN(CC(=O)N1CCc2sccc2[C@@H]1COc1ccccc1)CC1CC1 ZINC000036309075 568995738 /nfs/dbraw/zinc/99/57/38/568995738.db2.gz JDZXGQRHJNQYGL-REWPJTCUSA-N 0 3 442.625 4.126 50 0 IIAAHN CCCN(CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(C)cc1C)C[C@H](O)CC ZINC000036309405 568995928 /nfs/dbraw/zinc/99/59/28/568995928.db2.gz NUBJGLANUMUIIK-IRLDBZIGSA-N 0 3 444.641 4.353 50 0 IIAAHN CCn1cc(CN2CCC(C(=O)NCc3ccc(OC)cc3)CC2)c2cc(OC)ccc21 ZINC000065060001 569095876 /nfs/dbraw/zinc/09/58/76/569095876.db2.gz RXFIPYPGUUGFGY-UHFFFAOYSA-N 0 3 435.568 4.207 50 0 IIAAHN COc1c2c(cc3c1[C@@H](Cc1ccc(NC(=O)c4ccccc4)cc1)N(C)CC3)OCO2 ZINC000524730852 569126201 /nfs/dbraw/zinc/12/62/01/569126201.db2.gz ZLTHZTVAVHVGED-OAQYLSRUSA-N 0 3 430.504 4.448 50 0 biogenic IIAAHN C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1N(C)C(=O)c1cnc2c(F)cc(F)cc2c1[O-] ZINC000170600722 569142936 /nfs/dbraw/zinc/14/29/36/569142936.db2.gz DQAUQTUIKBZMFW-HOTGVXAUSA-N 0 3 439.506 4.447 50 0 IIAAHN C[C@@H]1CCC[C@H](N(Cc2ccc3c(c2)OCO3)Cc2cc(=O)n3ccsc3n2)[C@H]1C ZINC000252453069 569184139 /nfs/dbraw/zinc/18/41/39/569184139.db2.gz ZOWQVRUMGDZNHN-GJYPPUQNSA-N 0 3 425.554 4.312 50 0 IIAAHN Cc1cccc(CN(C(=O)c2cccs2)c2ccc(CC(=O)NCCN(C)C)cc2)c1 ZINC000037557180 569200669 /nfs/dbraw/zinc/20/06/69/569200669.db2.gz WZMGZDZXMNLURD-UHFFFAOYSA-N 0 3 435.593 4.124 50 0 IIAAHN Cc1ccc(NC(=O)N2CCC3(CC2)C[C@H](N2CCN(CC(C)C)CC2)CCO3)cc1C ZINC000581819783 569211651 /nfs/dbraw/zinc/21/16/51/569211651.db2.gz KSZLSZGSGGDULQ-XMMPIXPASA-N 0 3 442.648 4.123 50 0 IIAAHN O=C1C2ON(c3ccccc3)[C@@H](c3cccnc3)[C@@H]2C(=O)N1c1c(Cl)cccc1Cl ZINC000002372242 569289261 /nfs/dbraw/zinc/28/92/61/569289261.db2.gz ZXHZFLCORQNOFT-CMKODMSKSA-N 0 3 440.286 4.440 50 0 IIAAHN Cc1nnc(N2C(=O)c3oc4ccc(Cl)cc4c(=O)c3C2c2ccccc2F)s1 ZINC000002400916 569299508 /nfs/dbraw/zinc/29/95/08/569299508.db2.gz GWWMNLDDZRHKOJ-INIZCTEOSA-N 0 3 427.844 4.495 50 0 IIAAHN CCN(CC)[C@H](CNC(=O)COc1ccc(C(=O)c2ccccc2)cc1)c1ccccc1 ZINC000013096713 569309557 /nfs/dbraw/zinc/30/95/57/569309557.db2.gz NRSYTLAQKFSPNA-RUZDIDTESA-N 0 3 430.548 4.496 50 0 IIAAHN CCCCn1c(CN(C)C[C@@H]2CCN(C(C)C)C2)cnc1S(=O)(=O)CCCC(C)C ZINC000019336749 569318601 /nfs/dbraw/zinc/31/86/01/569318601.db2.gz AOULSADADSVCAY-NRFANRHFSA-N 0 3 440.698 4.055 50 0 IIAAHN COc1ccc([C@H](CNC(=O)c2cc3ccccc3cc2NC(=O)C(C)C)N(C)C)cc1 ZINC000079095441 569325285 /nfs/dbraw/zinc/32/52/85/569325285.db2.gz HSZBSZFFUIHVLV-DEOSSOPVSA-N 0 3 433.552 4.476 50 0 IIAAHN CCOc1ccc([C@@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2CCCN(C)C)cc1 ZINC000002890305 569424521 /nfs/dbraw/zinc/42/45/21/569424521.db2.gz SESKXXDFLWWVSS-OAQYLSRUSA-N 0 3 440.927 4.342 50 0 IIAAHN COc1ccc(NC(=O)[C@H]2C[C@H](CC(C)C)N[C@]23C(=O)Nc2c3cc(Cl)cc2C)cc1 ZINC000057122087 569429773 /nfs/dbraw/zinc/42/97/73/569429773.db2.gz BQNQFQIVEBKWHK-IQOKHDRSSA-N 0 3 441.959 4.467 50 0 IIAAHN O=C(NC(=S)Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1)c1ccc(F)cc1 ZINC000057312062 569430823 /nfs/dbraw/zinc/43/08/23/569430823.db2.gz ROTVYRISTWUKTK-UHFFFAOYSA-N 0 3 448.567 4.275 50 0 IIAAHN O=C(NC(=S)Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1)c1ccccc1 ZINC000057314312 569430832 /nfs/dbraw/zinc/43/08/32/569430832.db2.gz IPXBIUIFVLZZQT-UHFFFAOYSA-N 0 3 430.577 4.136 50 0 IIAAHN O=C(Cc1c(F)cccc1Cl)N1CCC(N2CCC(Oc3nccs3)CC2)CC1 ZINC000217593072 569449688 /nfs/dbraw/zinc/44/96/88/569449688.db2.gz HMIDUOVJLSSSCO-UHFFFAOYSA-N 0 3 437.968 4.013 50 0 IIAAHN CN(Cn1nc(-c2ccccc2F)n(Cc2ccccc2)c1=S)C1CCN(C)CC1 ZINC000003504153 569452850 /nfs/dbraw/zinc/45/28/50/569452850.db2.gz GBHXATCSNAARMM-UHFFFAOYSA-N 0 3 425.577 4.252 50 0 IIAAHN COc1cc(NC(=O)CNC2(c3ccc(Br)cc3)CCCC2)cc(OC)c1 ZINC000040149524 569492609 /nfs/dbraw/zinc/49/26/09/569492609.db2.gz YAIICDWIIZAKJZ-UHFFFAOYSA-N 0 3 433.346 4.464 50 0 IIAAHN O=S(=O)(c1ccc(Cl)c(Cl)c1)N1CCC(N2CCc3ccccc3C2)CC1 ZINC000040149731 569492687 /nfs/dbraw/zinc/49/26/87/569492687.db2.gz GZBBEOOETGEWBQ-UHFFFAOYSA-N 0 3 425.381 4.205 50 0 IIAAHN CCN1CCC2(CC1)Oc1c(OC)cccc1[C@@H]1CC(c3ccc(OC)cc3OC)=NN12 ZINC000009462213 569537235 /nfs/dbraw/zinc/53/72/35/569537235.db2.gz IQWYHBFTWHYGOR-NRFANRHFSA-N 0 3 437.540 4.068 50 0 IIAAHN CN(C)Cc1ccccc1CNC(=O)c1ccc(NS(=O)(=O)/C=C/c2ccccc2)cc1 ZINC000009917523 569573502 /nfs/dbraw/zinc/57/35/02/569573502.db2.gz IRZSYDZNRKZHCE-WUKNDPDISA-N 0 3 449.576 4.091 50 0 IIAAHN CCN1CCN(c2ccc(NC(=O)c3ccccc3SC[C@@H]3CCCO3)cc2)CC1 ZINC000008156263 132280999 /nfs/dbraw/zinc/28/09/99/132280999.db2.gz KBCJVKWFHAIYHN-NRFANRHFSA-N 0 3 425.598 4.352 50 0 IIAAHN CC(=O)c1ccc(C(=O)N(CCN(C)C)C[C@H]2CCCN(Cc3ccccc3F)C2)s1 ZINC000012479967 518303945 /nfs/dbraw/zinc/30/39/45/518303945.db2.gz SMWDYOCSEMHILG-IBGZPJMESA-N 0 3 445.604 4.006 50 0 IIAAHN CC(=O)c1cccc(CN(CCN(C)C)C[C@@H]2CCCN(Cc3ccccc3F)C2)c1 ZINC000020542353 518421318 /nfs/dbraw/zinc/42/13/18/518421318.db2.gz ZKKVCEALIMPOTL-HSZRJFAPSA-N 0 3 425.592 4.304 50 0 IIAAHN CC(C)CC(=O)Nc1ccnn1C1CCN(Cc2ccc(Oc3ncccn3)cc2)CC1 ZINC000012704304 519609325 /nfs/dbraw/zinc/60/93/25/519609325.db2.gz DIBDNADHFGBSJE-UHFFFAOYSA-N 0 3 434.544 4.287 50 0 IIAAHN CC(C)N1CCN(c2nc3nn(-c4ccccc4)c(N)c3c(-c3ccccc3Cl)n2)CC1 ZINC000035929689 519684165 /nfs/dbraw/zinc/68/41/65/519684165.db2.gz PJFVUKZLEOZXHA-UHFFFAOYSA-N 0 3 447.974 4.249 50 0 IIAAHN CC(=O)Nc1ccc(-c2cc(C(=O)NCCN3CCCC[C@H]3C)c3ccccc3n2)cc1 ZINC000021662893 519707824 /nfs/dbraw/zinc/70/78/24/519707824.db2.gz ZNMQVBXYWUCQRB-GOSISDBHSA-N 0 3 430.552 4.464 50 0 IIAAHN CC(C)[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000012786276 519798328 /nfs/dbraw/zinc/79/83/28/519798328.db2.gz DQLUOFHMEKBGAP-FGZHOGPDSA-N 0 3 427.976 4.048 50 0 IIAAHN CC(C)[C@H](NC(=O)Cc1ccccc1)C(=O)NC[C@H](c1cccs1)N1CCC(C)CC1 ZINC000012820851 519818844 /nfs/dbraw/zinc/81/88/44/519818844.db2.gz ZOKNLQYDMSFACC-QPPBQGQZSA-N 0 3 441.641 4.021 50 0 IIAAHN CC(C)[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000012786289 519820071 /nfs/dbraw/zinc/82/00/71/519820071.db2.gz DQLUOFHMEKBGAP-VXKWHMMOSA-N 0 3 427.976 4.048 50 0 IIAAHN CC(C)[C@H](NCC(=O)N1c2ccccc2NC(=O)C[C@@H]1C(F)(F)F)c1cccs1 ZINC000021315719 519820680 /nfs/dbraw/zinc/82/06/80/519820680.db2.gz ZLPLVMBMLKIENN-APWZRJJASA-N 0 3 425.476 4.341 50 0 IIAAHN CCOC(=O)[C@@H]1CCCN(Cc2cn(-c3ccccc3F)nc2-c2ccc(OC)cc2)C1 ZINC000012298416 521118402 /nfs/dbraw/zinc/11/84/02/521118402.db2.gz RMTPPSFFYKIMGC-LJQANCHMSA-N 0 3 437.515 4.462 50 0 IIAAHN CCOC(=O)c1nc2ccccc2c(NCCCN2CCN(c3cc(C)ccc3C)CC2)n1 ZINC000021053262 521598566 /nfs/dbraw/zinc/59/85/66/521598566.db2.gz QMFQZSVQTYQLTK-UHFFFAOYSA-N 0 3 447.583 4.048 50 0 IIAAHN CCN1CCN(c2ccc(NC(=O)CN[C@H](c3cccs3)c3ccccc3)cc2)CC1 ZINC000012642268 521698487 /nfs/dbraw/zinc/69/84/87/521698487.db2.gz YLFBCUHOPWJTDE-VWLOTQADSA-N 0 3 434.609 4.208 50 0 IIAAHN CCN1CCN(c2ccc(NC(=O)CSc3nccn3-c3ccc(C)cc3C)cc2)CC1 ZINC000012525459 521698726 /nfs/dbraw/zinc/69/87/26/521698726.db2.gz DQGRYVOLHPIAKB-UHFFFAOYSA-N 0 3 449.624 4.362 50 0 IIAAHN CN(C)CCN(C[C@H]1CCCN(Cc2ccccc2F)C1)C(=O)c1cnc2ccccc2c1 ZINC000012597352 521749157 /nfs/dbraw/zinc/74/91/57/521749157.db2.gz LQVSACKBRQBKKS-NRFANRHFSA-N 0 3 448.586 4.290 50 0 IIAAHN CN(CCCNC(=O)C1CCN(c2ccc(-c3cccs3)nn2)CC1)Cc1ccccc1 ZINC000021538876 522757262 /nfs/dbraw/zinc/75/72/62/522757262.db2.gz SFNAFCGYEADIFI-UHFFFAOYSA-N 0 3 449.624 4.060 50 0 IIAAHN COC(=O)Cn1cc(CN[C@@H](C)c2cnn(-c3ccc(OC)cc3)c2C)c2ccccc21 ZINC000012320118 523399217 /nfs/dbraw/zinc/39/92/17/523399217.db2.gz JDFPWVHGABWCNC-KRWDZBQOSA-N 0 3 432.524 4.168 50 0 IIAAHN COc1ccc(CN2CCC(n3nccc3NC(=O)[C@@H](OC)c3ccccc3)CC2)cc1C ZINC000012712086 524025867 /nfs/dbraw/zinc/02/58/67/524025867.db2.gz OZWCOIALNOIWAE-VWLOTQADSA-N 0 3 448.567 4.363 50 0 IIAAHN CCc1ccc([C@H](CNC(=O)[C@@H](NC(=O)c2ccccc2Cl)C(C)C)N(C)C)cc1 ZINC000012778054 524048901 /nfs/dbraw/zinc/04/89/01/524048901.db2.gz DHQBEAIENRRPST-VXKWHMMOSA-N 0 3 429.992 4.076 50 0 IIAAHN Cc1cc(C)c(CN2CCc3nnc([C@@H](CC(C)C)NC(=O)c4ccco4)n3CC2)cc1C ZINC000020453654 524264191 /nfs/dbraw/zinc/26/41/91/524264191.db2.gz CVDBIRJRVMBSAK-JOCHJYFZSA-N 0 3 449.599 4.372 50 0 IIAAHN Cc1ccccc1-c1ccc(CN2CCC[C@@H](n3cc(C(=O)N4CCCC4)nn3)C2)cc1 ZINC000012212436 525004296 /nfs/dbraw/zinc/00/42/96/525004296.db2.gz SDSAAMPKFKMNHO-HSZRJFAPSA-N 0 3 429.568 4.327 50 0 IIAAHN COc1cccc(-c2nn(-c3ccccc3)cc2CN2CCCC[C@@H]2CCNC(C)=O)c1 ZINC000012718257 525728643 /nfs/dbraw/zinc/72/86/43/525728643.db2.gz ARDKMSQFALDPKT-HSZRJFAPSA-N 0 3 432.568 4.429 50 0 IIAAHN Cc1ccc(-c2cc(C(F)(F)F)n3ncc(C(=O)OC[C@H]4CCCN(C)C4)c3n2)cc1 ZINC000021789070 525732674 /nfs/dbraw/zinc/73/26/74/525732674.db2.gz SUHBZIOYQLUOCU-HNNXBMFYSA-N 0 3 432.446 4.222 50 0 IIAAHN Cc1ccc([C@H](CNC(=O)CCNc2ncc(C(F)(F)F)cc2Cl)N(C)C)cc1 ZINC000079308839 525955076 /nfs/dbraw/zinc/95/50/76/525955076.db2.gz HUNKJDFLNOULCC-KRWDZBQOSA-N 0 3 428.886 4.283 50 0 IIAAHN COc1cccc(CNCCSc2nnnn2-c2ccccc2)c1OCc1ccccc1 ZINC000022107785 526015719 /nfs/dbraw/zinc/01/57/19/526015719.db2.gz KPFZXJZOSUPNTA-UHFFFAOYSA-N 0 3 447.564 4.132 50 0 IIAAHN C[C@@H](c1ccc(-n2cncn2)cc1)N(C)C[C@H](O)COc1ccc(-c2ccccc2)cc1 ZINC000036033826 526035777 /nfs/dbraw/zinc/03/57/77/526035777.db2.gz CYLQRASCHMCPPP-CPJSRVTESA-N 0 3 428.536 4.367 50 0 IIAAHN O=C(NCCc1ccccn1)[C@H]1CC12CCN(Cc1cnc(-c3ccccc3)s1)CC2 ZINC000012572640 526433934 /nfs/dbraw/zinc/43/39/34/526433934.db2.gz DVCMRIMVMQZLAJ-JOCHJYFZSA-N 0 3 432.593 4.166 50 0 IIAAHN O=C(Cc1cn(CN2CCN(c3cccc(Cl)c3)CC2)c2ccccc12)N1CCCC1 ZINC000020623350 527319478 /nfs/dbraw/zinc/31/94/78/527319478.db2.gz DHFSAWQFWSJTTE-UHFFFAOYSA-N 0 3 436.987 4.239 50 0 IIAAHN O=C(COc1ccc(Br)cc1Cl)NC1CCN(Cc2ccccc2)CC1 ZINC000010450866 556335279 /nfs/dbraw/zinc/33/52/79/556335279.db2.gz LJCGFYKBMOIJGQ-UHFFFAOYSA-N 0 3 437.765 4.262 50 0 IIAAHN COc1ccc(CC(=O)NC[C@@H]2CCCN(Cc3ccc(OC(F)(F)F)cc3)C2)cc1 ZINC000012076726 556398023 /nfs/dbraw/zinc/39/80/23/556398023.db2.gz WNDGJTCMVNFWDI-IBGZPJMESA-N 0 3 436.474 4.165 50 0 IIAAHN CCN1C(=O)N(Cc2cccc3ccccc32)C(=O)C12CCN(Cc1cccc(O)c1)CC2 ZINC000014744826 556440394 /nfs/dbraw/zinc/44/03/94/556440394.db2.gz WSHUFUHLILEUJQ-UHFFFAOYSA-N 0 3 443.547 4.364 50 0 IIAAHN C[N@H+](Cc1ccccc1[N-]S(=O)(=O)c1ccc(N2CCCC2=O)cc1)C1CCCCC1 ZINC000029384731 556474083 /nfs/dbraw/zinc/47/40/83/556474083.db2.gz XXHRSVLAZIPZHT-UHFFFAOYSA-N 0 3 441.597 4.379 50 0 IIAAHN C[N@@H+](Cc1ccccc1[N-]S(=O)(=O)c1ccc(N2CCCC2=O)cc1)C1CCCCC1 ZINC000029384731 556474085 /nfs/dbraw/zinc/47/40/85/556474085.db2.gz XXHRSVLAZIPZHT-UHFFFAOYSA-N 0 3 441.597 4.379 50 0 IIAAHN CC(=O)c1ccc(-c2cc(F)cc3c2O[C@H](CNC(=O)[C@@H]2CCCCCN2C)C3)s1 ZINC000015001986 556480101 /nfs/dbraw/zinc/48/01/01/556480101.db2.gz SIYDXNJPITUCCD-HKUYNNGSSA-N 0 3 430.545 4.051 50 0 IIAAHN COCc1cc(C)nc2sc(C(=O)N3c4ccc(C)cc4[C@H]4CN(C)CC[C@H]43)c(N)c21 ZINC000015107422 556504130 /nfs/dbraw/zinc/50/41/30/556504130.db2.gz APVAMQAVSFCOAD-IEBWSBKVSA-N 0 3 436.581 4.090 50 0 IIAAHN Cc1c2c(cc3c4c(c(=O)oc13)CCC4)CN(C1CCN(Cc3ccccc3)CC1)CO2 ZINC000013592926 556530956 /nfs/dbraw/zinc/53/09/56/556530956.db2.gz UQWGCVPKTXOPMM-UHFFFAOYSA-N 0 3 430.548 4.407 50 0 IIAAHN Cc1c(C(=O)NC[C@@H](c2ccccc2)N2CCCC2)cnn1-c1ccc(C(F)(F)F)cn1 ZINC000032902461 556536090 /nfs/dbraw/zinc/53/60/90/556536090.db2.gz MHLIFQLHTYIRMD-FQEVSTJZSA-N 0 3 443.473 4.161 50 0 IIAAHN COCc1ccc(CN2CCC[C@@H](N3CCN(c4cccc(C(F)(F)F)c4)CC3)C2)o1 ZINC000019218761 556713403 /nfs/dbraw/zinc/71/34/03/556713403.db2.gz UCFKTSINIWTKBD-HXUWFJFHSA-N 0 3 437.506 4.231 50 0 IIAAHN CNC(=O)c1ccc2c(c1)NC(=O)C2=C(Nc1cccc(CN(C)C)c1)c1ccccc1 ZINC000052509448 556718052 /nfs/dbraw/zinc/71/80/52/556718052.db2.gz BQNHHYZMVCQLJG-VHXPQNKSSA-N 0 3 426.520 4.040 50 0 IIAAHN Cc1ccc([C@H](CNC(=O)[C@@H]2CCCN2C(=O)c2cc(Cl)ccc2Cl)N(C)C)cc1 ZINC000062580307 556835857 /nfs/dbraw/zinc/83/58/57/556835857.db2.gz HDAKQDGLQOSIOB-SFTDATJTSA-N 0 3 448.394 4.326 50 0 IIAAHN CCOCCCNC(=O)C1CCN(Cc2cc3ccccc3n2Cc2ccccc2)CC1 ZINC000046055459 557027404 /nfs/dbraw/zinc/02/74/04/557027404.db2.gz MOZIXGKTKJTAIR-UHFFFAOYSA-N 0 3 433.596 4.444 50 0 IIAAHN C[C@H]1CN(c2ccc(NC(=O)N(CCc3ccccc3)CCN(C)C)cc2F)C[C@H](C)O1 ZINC000048278896 557057220 /nfs/dbraw/zinc/05/72/20/557057220.db2.gz FGDJXPIFSXWQOE-PMACEKPBSA-N 0 3 442.579 4.078 50 0 IIAAHN COc1ccc(CN2C(=O)C(CC(=O)Nc3ccc(C)cc3)n3c4ccccc4nc32)cc1 ZINC000023411248 557091259 /nfs/dbraw/zinc/09/12/59/557091259.db2.gz DIZBNHNYCKAJTM-QHCPKHFHSA-N 0 3 440.503 4.470 50 0 IIAAHN CCN1CCC(NC(=O)CSc2nc(C3CCCCC3)n(-c3ccccc3)n2)CC1 ZINC000011394195 557138878 /nfs/dbraw/zinc/13/88/78/557138878.db2.gz IJDIIKZJGIMXJG-UHFFFAOYSA-N 0 3 427.618 4.008 50 0 IIAAHN O=C(c1ccc(CN2CCCCC2)cc1)N1CCN(C(=O)C23CC4CC(CC(C4)C2)C3)CC1 ZINC000010977002 557200389 /nfs/dbraw/zinc/20/03/89/557200389.db2.gz FFMPJKIYZCSOHQ-UHFFFAOYSA-N 0 3 449.639 4.173 50 0 IIAAHN Cc1cccc(C(=O)NC(=S)Nc2ccc(N3CCN(Cc4ccccc4)CC3)cc2)c1 ZINC000057541658 557253361 /nfs/dbraw/zinc/25/33/61/557253361.db2.gz GFFMXDVDUBAFDQ-UHFFFAOYSA-N 0 3 444.604 4.444 50 0 IIAAHN O=C1C2ON(c3ccccc3)[C@H](c3cccnc3)[C@@H]2C(=O)N1c1ccc(Cl)c(Cl)c1 ZINC000102728211 557370539 /nfs/dbraw/zinc/37/05/39/557370539.db2.gz FYHTYUXWMHZIRA-XUVXKRRUSA-N 0 3 440.286 4.440 50 0 IIAAHN CCCCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccncc4)[C@H]3C2=O)cc1 ZINC000102729468 557370932 /nfs/dbraw/zinc/37/09/32/557370932.db2.gz IOKLKWPWAMGOPM-TZRRMPRUSA-N 0 3 443.503 4.312 50 0 IIAAHN Cc1ccc(OC[C@H]2c3ccsc3CCN2C(=O)CN(CC(C)C)C[C@H](C)O)c(C)c1 ZINC000105004940 557471438 /nfs/dbraw/zinc/47/14/38/557471438.db2.gz XSSXMLUOXYPENQ-UNMCSNQZSA-N 0 3 444.641 4.209 50 0 IIAAHN Cc1ccc(OC[C@@H]2c3ccsc3CCN2C(=O)CN(CC(C)C)C[C@H](C)O)c(C)c1 ZINC000105004943 557471734 /nfs/dbraw/zinc/47/17/34/557471734.db2.gz XSSXMLUOXYPENQ-RBBKRZOGSA-N 0 3 444.641 4.209 50 0 IIAAHN COc1cccc([C@@H]2[C@@H]3C(=O)N(c4cccc(Cl)c4)C(=O)C3ON2c2ccccc2)c1 ZINC000226820772 557809441 /nfs/dbraw/zinc/80/94/41/557809441.db2.gz FSPQQKSLNXBBCG-BHDDXSALSA-N 0 3 434.879 4.400 50 0 IIAAHN CCCC[C@@H]1[C@@H]2C(=O)N(c3ccc(Br)cc3)C(=O)C2ON1c1ccccc1 ZINC000226981366 557811598 /nfs/dbraw/zinc/81/15/98/557811598.db2.gz HZCHVXGZXPEOCQ-CEXWTWQISA-N 0 3 429.314 4.318 50 0 IIAAHN COc1cccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccc(Cl)cc2)[C@@H]3c2cccs2)c1 ZINC000229968910 557834466 /nfs/dbraw/zinc/83/44/66/557834466.db2.gz ZAYSVDYPHSILKN-XUVXKRRUSA-N 0 3 440.908 4.461 50 0 IIAAHN COc1cccc(N2C(=O)C3ON(c4ccc(Cl)cc4)[C@H](c4cccs4)[C@@H]3C2=O)c1 ZINC000229968910 557834467 /nfs/dbraw/zinc/83/44/67/557834467.db2.gz ZAYSVDYPHSILKN-XUVXKRRUSA-N 0 3 440.908 4.461 50 0 IIAAHN COc1ccc(NC(=O)N[C@@H](C)c2c3c(sc2-n2cccc2)CN(C)CC3)c(OC)c1 ZINC000008590199 562951556 /nfs/dbraw/zinc/95/15/56/562951556.db2.gz PDKKKGNFXKGJLJ-HNNXBMFYSA-N 0 3 440.569 4.427 50 0 IIAAHN CCCCc1cc(=O)oc2cc(OCC(=O)NC3CCN(Cc4ccccc4)CC3)ccc12 ZINC000008994517 562966509 /nfs/dbraw/zinc/96/65/09/562966509.db2.gz ASWDIXJHERMXLT-UHFFFAOYSA-N 0 3 448.563 4.295 50 0 IIAAHN CCN(CC)[C@@H](CNC(=O)c1c[nH]c(=S)n1-c1ccc(F)cc1)c1cccc(OC)c1 ZINC000025861296 568785665 /nfs/dbraw/zinc/78/56/65/568785665.db2.gz LDOWYGGCUXFVPY-FQEVSTJZSA-N 0 3 442.560 4.495 50 0 IIAAHN CC(C)[C@@H](NCC(=O)Nc1cc(S(C)(=O)=O)ccc1F)c1ccc(C(C)(C)C)cc1 ZINC000084456265 568798244 /nfs/dbraw/zinc/79/82/44/568798244.db2.gz YDXWPSWWGDKWFK-JOCHJYFZSA-N 0 3 434.577 4.452 50 0 IIAAHN COc1ccc(COC[C@@H](O)CN2CCC[C@@H](c3nc4ccccc4s3)C2)cc1OC ZINC000016044491 568868650 /nfs/dbraw/zinc/86/86/50/568868650.db2.gz ZXDXTZCGQKIDNV-MOPGFXCFSA-N 0 3 442.581 4.071 50 0 IIAAHN COc1ccc(-c2nn3c(c2C)NC(=O)C3CC(=O)Nc2cccc(C(F)(F)F)c2)cc1 ZINC000090594460 568889221 /nfs/dbraw/zinc/88/92/21/568889221.db2.gz SJIUJMSORSQYSR-KRWDZBQOSA-N 0 3 444.413 4.408 50 0 IIAAHN Cc1c2cc(C)ccc2oc1-c1nnc(C(=O)NC2CCN(Cc3ccccc3)CC2)o1 ZINC000096324146 568940897 /nfs/dbraw/zinc/94/08/97/568940897.db2.gz UWEDUXZHPAEFHJ-UHFFFAOYSA-N 0 3 430.508 4.494 50 0 IIAAHN CC(C)CCN(CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(F)cc1)C[C@H](C)O ZINC000036309842 568996276 /nfs/dbraw/zinc/99/62/76/568996276.db2.gz PROUWLVYZDGUOS-AVRDEDQJSA-N 0 3 448.604 4.121 50 0 IIAAHN CN(C)CCN(Cc1c(-c2ccccc2)noc1N1CCCC1)C(=O)c1ccccc1F ZINC000036312433 568997785 /nfs/dbraw/zinc/99/77/85/568997785.db2.gz HCAHLTVKRYVZMR-UHFFFAOYSA-N 0 3 436.531 4.285 50 0 IIAAHN CCOc1cc(N2CCN(C(C)C)CC2)ccc1NC(=O)CCc1cccc(F)c1F ZINC000170606064 569143947 /nfs/dbraw/zinc/14/39/47/569143947.db2.gz XOTMIFXKXTXHPC-UHFFFAOYSA-N 0 3 431.527 4.465 50 0 IIAAHN CN(C(=O)[C@H]1CN(Cc2ccccc2)C[C@H]1C(F)(F)F)c1ccc(-c2ccccc2)nn1 ZINC000252515179 569189124 /nfs/dbraw/zinc/18/91/24/569189124.db2.gz HTXWGUPEFBIFNJ-VQTJNVASSA-N 0 3 440.469 4.417 50 0 IIAAHN CCN(C(=O)Nc1cc(Cl)ccc1N1CCOCC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000095942389 569375530 /nfs/dbraw/zinc/37/55/30/569375530.db2.gz PARVRVPTSHBABC-NRFANRHFSA-N 0 3 442.991 4.305 50 0 IIAAHN O=C(NCc1ccccc1)C1CCN(Cc2cnn(-c3ccccc3)c2-n2cccc2)CC1 ZINC000002960416 569432738 /nfs/dbraw/zinc/43/27/38/569432738.db2.gz RNTYKDZADWFYEI-UHFFFAOYSA-N 0 3 439.563 4.191 50 0 IIAAHN O=C(CN1c2ccccc2S/C(=C\c2ccccc2)C1=O)NCCN1CCCCCC1 ZINC000003047194 569438680 /nfs/dbraw/zinc/43/86/80/569438680.db2.gz VUNCAHJLFMDAIE-NKFKGCMQSA-N 0 3 435.593 4.159 50 0 IIAAHN CCN(CC)C[C@@H](NC(=O)NCc1ccc(NC(=O)c2ccco2)cc1)c1ccccc1 ZINC000030995942 569452160 /nfs/dbraw/zinc/45/21/60/569452160.db2.gz LNICZSZDYKTOLV-JOCHJYFZSA-N 0 3 434.540 4.414 50 0 IIAAHN CN(C)Cc1ccc(-c2ccccc2CNC(=O)[C@@H]2CC(=O)N(c3ccccc3F)C2)cc1 ZINC000031077710 569453209 /nfs/dbraw/zinc/45/32/09/569453209.db2.gz HWMOQDXQLDJIOP-JOCHJYFZSA-N 0 3 445.538 4.224 50 0 IIAAHN CCN(CC)[C@@H](CNC(=O)C1CCN(C(=O)c2ccc(Cl)cc2)CC1)c1ccsc1 ZINC000031988742 569458654 /nfs/dbraw/zinc/45/86/54/569458654.db2.gz SPWRVUNQAINIGG-NRFANRHFSA-N 0 3 448.032 4.453 50 0 IIAAHN COc1ccc(Cl)cc1NC(=O)[C@H]1C[C@H](CC(C)C)N[C@]12C(=O)Nc1ccccc12 ZINC000008876722 569481171 /nfs/dbraw/zinc/48/11/71/569481171.db2.gz SLKDYJURTYHIJA-JCEJCQQGSA-N 0 3 427.932 4.159 50 0 biogenic IIAAHN Cn1c2ccccc2c2sc(C(=O)NC3CCN(Cc4ccccc4)CC3)cc2c1=O ZINC000009693061 569561111 /nfs/dbraw/zinc/56/11/11/569561111.db2.gz PLGMFQHSUJZOBE-UHFFFAOYSA-N 0 3 431.561 4.148 50 0 IIAAHN COc1ccc2nc(N(Cc3ccccn3)C(=O)C3COc4ccccc4O3)sc2c1 ZINC000010187619 569578650 /nfs/dbraw/zinc/57/86/50/569578650.db2.gz WOOUUKFJURDALS-FQEVSTJZSA-N 0 3 433.489 4.073 50 0 IIAAHN CCN(CC)CCN1C(=O)c2oc3cc(OC)ccc3c(=O)c2[C@@H]1c1ccc(Cl)cc1 ZINC000010233209 569579533 /nfs/dbraw/zinc/57/95/33/569579533.db2.gz GTUNAHMJLHEUII-NRFANRHFSA-N 0 3 440.927 4.342 50 0 IIAAHN CN(CC(=O)NC1CCN(Cc2ccccc2)CC1)c1nc2c(cccc2Cl)s1 ZINC000077196775 569586112 /nfs/dbraw/zinc/58/61/12/569586112.db2.gz LTQRTLXFSZQWML-UHFFFAOYSA-N 0 3 428.989 4.167 50 0 IIAAHN CCN1CCN(c2ccc(NC(=O)CCc3c(C)nn(-c4ccccc4)c3C)cc2)CC1 ZINC000008194444 132281113 /nfs/dbraw/zinc/28/11/13/132281113.db2.gz RZAZROIWVKVFAL-UHFFFAOYSA-N 0 3 431.584 4.202 50 0 IIAAHN O=C(Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1)c1cccnc1N1CCCC1 ZINC000009869045 132330639 /nfs/dbraw/zinc/33/06/39/132330639.db2.gz ASOUZXOHSDEEGF-UHFFFAOYSA-N 0 3 441.579 4.256 50 0 IIAAHN CC(C)C[C@H](C(=O)NCCN1CCC(Cc2ccccc2)CC1)N1Cc2ccccc2C1=O ZINC000020531408 519289927 /nfs/dbraw/zinc/28/99/27/519289927.db2.gz KIZPMWSBHAIPHB-AREMUKBSSA-N 0 3 447.623 4.128 50 0 IIAAHN CC(C)[C@@H](NCC(=O)N1c2ccccc2NC(=O)C[C@@H]1C(F)(F)F)c1ccc(F)cc1 ZINC000021317169 519798826 /nfs/dbraw/zinc/79/88/26/519798826.db2.gz LJMOKQCOGPFRGF-WIYYLYMNSA-N 0 3 437.437 4.419 50 0 IIAAHN CCOc1cccc(CN2CCC(n3nccc3NC(=O)c3ccc4c(c3)OCO4)CC2)c1 ZINC000012586822 521337785 /nfs/dbraw/zinc/33/77/85/521337785.db2.gz IHASRGHBZYIXNI-UHFFFAOYSA-N 0 3 448.523 4.100 50 0 IIAAHN CCN1C(=O)N(Cc2cccc(OC)c2)C(=O)C12CCN(C/C=C/c1ccccc1)CC2 ZINC000014533866 521527909 /nfs/dbraw/zinc/52/79/09/521527909.db2.gz IVWDIIZZZHASCE-XYOKQWHBSA-N 0 3 433.552 4.027 50 0 IIAAHN CCN1CCN(c2ccc(NC(=O)c3cc4c(nc5sccn45)s3)cc2C)CC1 ZINC000022742229 521699324 /nfs/dbraw/zinc/69/93/24/521699324.db2.gz DYHBAOBOCVIOQU-UHFFFAOYSA-N 0 3 425.583 4.313 50 0 IIAAHN COC(=O)CC[C@H](C)N1CCC(n2nccc2NC(=O)Nc2ccccc2Cl)CC1 ZINC000020534914 523114659 /nfs/dbraw/zinc/11/46/59/523114659.db2.gz MUTSBIFZHZUQTR-HNNXBMFYSA-N 0 3 433.940 4.159 50 0 IIAAHN CO[C@H]1[C@H](NC(=O)CSC)c2ccccc2C12CCN(C/C=C/c1ccccc1)CC2 ZINC000012160435 524022593 /nfs/dbraw/zinc/02/25/93/524022593.db2.gz NAEOJAGBVGJXNV-FHAPEGNSSA-N 0 3 436.621 4.283 50 0 IIAAHN COc1ccccc1NC(=O)CC1C(=O)N(Cc2ccc(C)cc2)c2nc3ccccc3n21 ZINC000023382101 524602585 /nfs/dbraw/zinc/60/25/85/524602585.db2.gz KMNFOXYPTGZHDE-JOCHJYFZSA-N 0 3 440.503 4.470 50 0 IIAAHN C[C@@H](Cc1cccnc1)N1CCC(Oc2cccc(C(=O)NCc3ccccc3)c2)CC1 ZINC000012434462 524926163 /nfs/dbraw/zinc/92/61/63/524926163.db2.gz LKYIFFHYRIKFMU-NRFANRHFSA-N 0 3 429.564 4.486 50 0 IIAAHN Cc1ccccc1N1CCN([C@H]2CCCN(Cc3cn(C)nc3-c3ccccc3)C2)CC1 ZINC000022914454 525222950 /nfs/dbraw/zinc/22/29/50/525222950.db2.gz ZYRPWXBTRASGAR-VWLOTQADSA-N 0 3 429.612 4.182 50 0 IIAAHN C[C@H](NC[C@H](c1c[nH]c2ccccc21)c1ccccc1)C(=O)NCc1ccc2c(c1)OCO2 ZINC000012862732 525410724 /nfs/dbraw/zinc/41/07/24/525410724.db2.gz GVUBDKKNTWIWLF-AVRDEDQJSA-N 0 3 441.531 4.323 50 0 IIAAHN C[C@H](c1ccc(-n2cncn2)cc1)N(C)C[C@@H](O)COc1ccc(-c2ccccc2)cc1 ZINC000022241939 526041761 /nfs/dbraw/zinc/04/17/61/526041761.db2.gz CYLQRASCHMCPPP-CJFMBICVSA-N 0 3 428.536 4.367 50 0 IIAAHN O=C(NCCN1CC[C@@H](c2ccccc2)C1)c1cc(COc2cccc3cnccc32)on1 ZINC000012198861 526323463 /nfs/dbraw/zinc/32/34/63/526323463.db2.gz NMILAYMQNUXDAI-OAQYLSRUSA-N 0 3 442.519 4.021 50 0 IIAAHN c1ccc(C(c2ccccc2)N2CCN(CCCc3nc(-c4cccnc4)no3)CC2)cc1 ZINC000022912655 526459954 /nfs/dbraw/zinc/45/99/54/526459954.db2.gz IAEGLRFXVZLCQG-UHFFFAOYSA-N 0 3 439.563 4.471 50 0 IIAAHN Cc1n[nH]c(C)c1CCN(C)Cc1cn(Cc2ccccc2)nc1-c1ccc2c(c1)OCO2 ZINC000020449668 526494106 /nfs/dbraw/zinc/49/41/06/526494106.db2.gz NFGHVIDBVXFBBE-UHFFFAOYSA-N 0 3 443.551 4.342 50 0 IIAAHN O=c1nc(CN2CCN(CC3CCCCC3)CC2)[nH]c2scc(-c3cccs3)c21 ZINC000022785845 527438036 /nfs/dbraw/zinc/43/80/36/527438036.db2.gz DEJLFMDSZZORSG-UHFFFAOYSA-N 0 3 428.627 4.411 50 0 IIAAHN CN(C)CCNC(=O)c1csc(-c2ccc(OCc3cccc(Cl)c3)cc2F)n1 ZINC000034713299 555826457 /nfs/dbraw/zinc/82/64/57/555826457.db2.gz LDRIIDPEZAXOHW-UHFFFAOYSA-N 0 3 433.936 4.473 50 0 IIAAHN COc1ccc([C@H]2CN(Cc3cccn3C)C[C@H]2CN(Cc2ccc(F)cc2)C(C)=O)cc1 ZINC000034699350 555832044 /nfs/dbraw/zinc/83/20/44/555832044.db2.gz WATQNWWNWFVCAS-WNCULLNHSA-N 0 3 449.570 4.437 50 0 IIAAHN O=C1C2ON(c3ccccc3)[C@H](c3ccccn3)[C@H]2C(=O)N1c1cccc(C(F)(F)F)c1 ZINC000006142211 556077512 /nfs/dbraw/zinc/07/75/12/556077512.db2.gz CABXKYXOJAOEDY-VAMGGRTRSA-N 0 3 439.393 4.152 50 0 IIAAHN COc1ccc(C(=O)N2CCCC2)c(OC2CCN([C@@H](C)Cc3ccc(C)cn3)CC2)c1 ZINC000011753544 556348871 /nfs/dbraw/zinc/34/88/71/556348871.db2.gz NBMRYEGKEKKCRZ-FQEVSTJZSA-N 0 3 437.584 4.109 50 0 IIAAHN COCCN(CC1CCN(Cc2ccccc2OC)CC1)C(=O)c1ccc(Cl)cc1 ZINC000011770128 556350216 /nfs/dbraw/zinc/35/02/16/556350216.db2.gz NATRBMQCDMAKAG-UHFFFAOYSA-N 0 3 430.976 4.349 50 0 IIAAHN CCOC(=O)C1(CCOc2ccccc2)CCN(Cc2cccc(-n3cccn3)c2)CC1 ZINC000011816975 556359613 /nfs/dbraw/zinc/35/96/13/556359613.db2.gz SXOOYBILAWOAID-UHFFFAOYSA-N 0 3 433.552 4.487 50 0 IIAAHN CCc1ccc(CN2CCC(n3nccc3NC(=O)c3ccc4c(c3)OCO4)CC2)cc1 ZINC000011817687 556359941 /nfs/dbraw/zinc/35/99/41/556359941.db2.gz YHPZQUVOXGJHRF-UHFFFAOYSA-N 0 3 432.524 4.264 50 0 IIAAHN CCN(CC)C(=O)[C@H]1CCCN(Cc2ccc3c(c2)CN(Cc2ccc(C)o2)CCO3)C1 ZINC000011911161 556375329 /nfs/dbraw/zinc/37/53/29/556375329.db2.gz LDXQQYKCLFPFHV-QFIPXVFZSA-N 0 3 439.600 4.063 50 0 IIAAHN COc1cccc(CCNC(=O)[C@H]2CC23CCN(Cc2ccc4ncccc4c2)CC3)c1 ZINC000011912471 556375575 /nfs/dbraw/zinc/37/55/75/556375575.db2.gz IUIDGFXDJCQHEM-XMMPIXPASA-N 0 3 429.564 4.204 50 0 IIAAHN C[C@H](NC(=O)c1ccco1)c1nnc2n1CCN(Cc1ccc(-c3ccccc3)cc1)CC2 ZINC000012005133 556386289 /nfs/dbraw/zinc/38/62/89/556386289.db2.gz YZHHYDFEEKEVPC-IBGZPJMESA-N 0 3 441.535 4.087 50 0 IIAAHN O=C(Nc1ccnn1C1CCN(Cc2cc3ccccc3[nH]2)CC1)c1ccc2c(c1)OCO2 ZINC000012072754 556396122 /nfs/dbraw/zinc/39/61/22/556396122.db2.gz MKOVGBXXWREZDQ-UHFFFAOYSA-N 0 3 443.507 4.183 50 0 IIAAHN CCn1nc(C(=O)N(C)Cc2ccco2)c2c1CC[C@H](N1CC=C(c3ccccc3)CC1)C2 ZINC000014540906 556425594 /nfs/dbraw/zinc/42/55/94/556425594.db2.gz RPZNBAQNPNXOCX-QFIPXVFZSA-N 0 3 444.579 4.415 50 0 IIAAHN CC(C)CCN1C(=O)N(CC(C)C)C(=O)C12CCN(Cc1cn(C)c3ccccc13)CC2 ZINC000014749509 556442526 /nfs/dbraw/zinc/44/25/26/556442526.db2.gz QXAICQQJBDXVHM-UHFFFAOYSA-N 0 3 438.616 4.479 50 0 IIAAHN Cc1ccc(CNC2CCN(c3ccc(C(=O)NCc4ccc5c(c4)OCO5)cc3)CC2)o1 ZINC000014882016 556454190 /nfs/dbraw/zinc/45/41/90/556454190.db2.gz FYXHLHINOMDARO-UHFFFAOYSA-N 0 3 447.535 4.005 50 0 IIAAHN O=C(CCCc1ccccc1)Nc1ccnn1C1CCN(Cc2ccc3nonc3c2)CC1 ZINC000014949789 556460199 /nfs/dbraw/zinc/46/01/99/556460199.db2.gz VNJNGXKINFWFBH-UHFFFAOYSA-N 0 3 444.539 4.218 50 0 IIAAHN COC(=O)c1ccc(CN2CCC[C@H](CCC(=O)Nc3cc(OC)cc(OC)c3)C2)cc1 ZINC000014958154 556463059 /nfs/dbraw/zinc/46/30/59/556463059.db2.gz BUDZVKWIAGJTOE-GOSISDBHSA-N 0 3 440.540 4.121 50 0 IIAAHN C[C@H](NC(=O)c1ccc(OC2CCN(CCc3ccccc3)CC2)cc1)c1ccncn1 ZINC000014978979 556469904 /nfs/dbraw/zinc/46/99/04/556469904.db2.gz LCZODDUEERLERA-FQEVSTJZSA-N 0 3 430.552 4.054 50 0 IIAAHN O=C(NC1CCN(Cc2ccccc2)CC1)c1ccccc1OCc1cn2ccccc2n1 ZINC000029899991 556486265 /nfs/dbraw/zinc/48/62/65/556486265.db2.gz FFBIHNUTHAVNAB-UHFFFAOYSA-N 0 3 440.547 4.308 50 0 IIAAHN CCc1c(C(=O)NCC2C3CC4CC(C3)CC2C4)c(=O)cc(C)n1CCN1CCCCC1 ZINC000015072066 556496761 /nfs/dbraw/zinc/49/67/61/556496761.db2.gz DDWUWZQCGFGRAP-UHFFFAOYSA-N 0 3 439.644 4.007 50 0 IIAAHN COCCOC(=O)Nc1cccc(NC(=O)N2CCCN(Cc3ccccc3)C[C@@H]2C)c1 ZINC000072294210 556506408 /nfs/dbraw/zinc/50/64/08/556506408.db2.gz ATSWNMRZFPONPF-IBGZPJMESA-N 0 3 440.544 4.010 50 0 IIAAHN CCOC(=O)c1c(NC(=O)Cc2ccccc2OC)sc2c1CC(C)(C)NC2(C)C ZINC000015962372 556569409 /nfs/dbraw/zinc/56/94/09/556569409.db2.gz IWUQRFXARFNWTM-UHFFFAOYSA-N 0 3 430.570 4.274 50 0 IIAAHN COc1ccc([C@H](CNC(=O)c2cc(-c3cccnc3)nc3ccccc32)N(C)C)cc1 ZINC000032960901 556571434 /nfs/dbraw/zinc/57/14/34/556571434.db2.gz LHHOOMMZYVCMDR-VWLOTQADSA-N 0 3 426.520 4.338 50 0 IIAAHN Cc1ccc(C(=O)N(Cc2ccc(F)cc2)c2cccc(CC(=O)NCCN(C)C)c2)cc1 ZINC000037601459 556646419 /nfs/dbraw/zinc/64/64/19/556646419.db2.gz WPWLGXYJAWGMSH-UHFFFAOYSA-N 0 3 447.554 4.201 50 0 IIAAHN Cc1ccc(NC(=O)Nc2ccccc2)cc1NC(=O)NC[C@@]1(N(C)C)CCSC1 ZINC000072312885 556688113 /nfs/dbraw/zinc/68/81/13/556688113.db2.gz VJWISECAVZWQKF-QFIPXVFZSA-N 0 3 427.574 4.198 50 0 IIAAHN CCN1CCN(CCCCNC(=O)NCc2ccc(Oc3ccc(F)cc3)c(C)c2)CC1 ZINC000058210013 556772028 /nfs/dbraw/zinc/77/20/28/556772028.db2.gz PHHYVWJBUGGDII-UHFFFAOYSA-N 0 3 442.579 4.143 50 0 IIAAHN COc1ccc(CN2CCC[C@H](N3CCN(c4cccc(Cl)c4)CC3)C2)cc1OC ZINC000019741335 556883418 /nfs/dbraw/zinc/88/34/18/556883418.db2.gz NUMATXIUOIFOMT-QFIPXVFZSA-N 0 3 429.992 4.144 50 0 IIAAHN O=C(CC1C(=O)N(Cc2ccccn2)c2nc3ccccc3n21)Nc1ccc(Cl)cc1 ZINC000019817657 556920404 /nfs/dbraw/zinc/92/04/04/556920404.db2.gz WASWOZSFAFXYNA-HXUWFJFHSA-N 0 3 431.883 4.201 50 0 IIAAHN COc1cc(CNCCN2CCOCC2)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000019872242 556935368 /nfs/dbraw/zinc/93/53/68/556935368.db2.gz CRVWJEQUAYYJOG-UHFFFAOYSA-N 0 3 425.356 4.003 50 0 IIAAHN COc1ccccc1N1CCN(C(=O)c2ccc(CN3CCc4ccccc4C3)cc2)CC1 ZINC000020149756 556990871 /nfs/dbraw/zinc/99/08/71/556990871.db2.gz QUZMRCBQSTUYKY-UHFFFAOYSA-N 0 3 441.575 4.216 50 0 IIAAHN COc1c(C)cc(C(=O)[C@@H]2CCCN(Cc3c(C)n(C)n(-c4ccccc4)c3=O)C2)cc1C ZINC000020350875 557009019 /nfs/dbraw/zinc/00/90/19/557009019.db2.gz HCNYAQRZYHCMDH-OAQYLSRUSA-N 0 3 447.579 4.205 50 0 IIAAHN CCc1ccccc1NC(=O)CC1C(=O)N(Cc2cccnc2)c2nc3ccccc3n21 ZINC000023382482 557089953 /nfs/dbraw/zinc/08/99/53/557089953.db2.gz IDTZDRMYMNGJRT-QFIPXVFZSA-N 0 3 425.492 4.110 50 0 IIAAHN COc1cccc(CN2C[C@@H]3C[C@@H](c4cc(C)ccc4-n4cccn4)N4CCC[C@@]34C2=O)c1 ZINC000023399774 557090526 /nfs/dbraw/zinc/09/05/26/557090526.db2.gz TXTXLYPKBAREJD-NOOLENRPSA-N 0 3 442.563 4.127 50 0 IIAAHN COc1ccc([C@@H](CNC(=O)CCc2c(C)c3ccc(C)cc3oc2=O)N2CCCC2)cc1 ZINC000017911942 557128337 /nfs/dbraw/zinc/12/83/37/557128337.db2.gz AKQBKBCKJUDZAY-XMMPIXPASA-N 0 3 448.563 4.304 50 0 IIAAHN O=C(CCN1CCC(C(=O)Nc2ccccc2)CC1)Nc1ccc(Br)cc1F ZINC000024856793 557174519 /nfs/dbraw/zinc/17/45/19/557174519.db2.gz LIJYWLGDTOKHLC-UHFFFAOYSA-N 0 3 448.336 4.268 50 0 IIAAHN COc1ccccc1[C@@H]1[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)C2ON1c1ccccc1 ZINC000018158169 557244491 /nfs/dbraw/zinc/24/44/91/557244491.db2.gz HKVSAYZUUFBPRN-BDTNDASRSA-N 0 3 434.879 4.400 50 0 IIAAHN CCCC[C@@H]1[C@H]2C(=O)N(c3ccc(Br)cc3)C(=O)C2ON1c1ccccc1 ZINC000102722032 557368960 /nfs/dbraw/zinc/36/89/60/557368960.db2.gz HZCHVXGZXPEOCQ-GUDVDZBRSA-N 0 3 429.314 4.318 50 0 IIAAHN CCCN(CC(=O)N1CCc2sccc2[C@H]1COc1ccc(C(C)C)cc1)C[C@H](C)O ZINC000105004282 557471180 /nfs/dbraw/zinc/47/11/80/557471180.db2.gz DQMWZDUHGVKYEW-WMZHIEFXSA-N 0 3 444.641 4.469 50 0 IIAAHN CCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4cccc(OC)c4)[C@@H]3C2=O)cc1 ZINC000229979910 557834824 /nfs/dbraw/zinc/83/48/24/557834824.db2.gz MSOIFKSYWYSVLK-RBZQAINGSA-N 0 3 444.487 4.145 50 0 IIAAHN COc1ccc(CC[N@@H+]2CCC[C@@H](CN(C)Cc3cc(Cl)c([O-])c(OC)c3)C2)cc1 ZINC000055088460 563142276 /nfs/dbraw/zinc/14/22/76/563142276.db2.gz FFAJGHUXRKCSDT-IBGZPJMESA-N 0 3 432.992 4.449 50 0 IIAAHN COc1ccc(CC[N@H+]2CCC[C@@H](CN(C)Cc3cc(Cl)c([O-])c(OC)c3)C2)cc1 ZINC000055088460 563142277 /nfs/dbraw/zinc/14/22/77/563142277.db2.gz FFAJGHUXRKCSDT-IBGZPJMESA-N 0 3 432.992 4.449 50 0 IIAAHN O=C1CCN(Cc2cn(-c3ccccc3)nc2-c2ccccc2)CCN1Cc1cccnc1 ZINC000299790617 568757712 /nfs/dbraw/zinc/75/77/12/568757712.db2.gz BOCCDINICSGFQT-UHFFFAOYSA-N 0 3 437.547 4.169 50 0 IIAAHN COc1ccc([C@@H]2NCCc3c4ccccc4[nH]c32)cc1CN1C(=O)c2ccccc2C1=O ZINC000001321622 568780097 /nfs/dbraw/zinc/78/00/97/568780097.db2.gz YKIMNPLHZNTZNA-DEOSSOPVSA-N 0 3 437.499 4.208 50 0 biogenic IIAAHN C=Cc1c(CN(C)C[C@@H](C)O)c2cc(Br)ccc2n1CCc1ccccn1 ZINC000085393413 568817207 /nfs/dbraw/zinc/81/72/07/568817207.db2.gz CNGBXLSRZRYWNY-MRXNPFEDSA-N 0 3 428.374 4.497 50 0 IIAAHN Cc1cc(C)c(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(O)cc4)[C@H]3C2=O)c(C)c1 ZINC000239386726 568911449 /nfs/dbraw/zinc/91/14/49/568911449.db2.gz QDYNHOKMRBDKAV-YFNKSVMNSA-N 0 3 428.488 4.369 50 0 IIAAHN CC[C@@H](O)CN(CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(C)cc1)CC(C)C ZINC000036309096 568995913 /nfs/dbraw/zinc/99/59/13/568995913.db2.gz XIYRZRKEMXNQIO-OFNKIYASSA-N 0 3 444.641 4.290 50 0 IIAAHN CC(C)CCN(CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(F)cc1)C[C@@H](C)O ZINC000036309840 568996461 /nfs/dbraw/zinc/99/64/61/568996461.db2.gz PROUWLVYZDGUOS-GCJKJVERSA-N 0 3 448.604 4.121 50 0 IIAAHN Cc1ccccc1C(=O)N(CCN(C)C)Cc1c(-c2ccccc2)noc1N1CCCC1 ZINC000036312438 568997724 /nfs/dbraw/zinc/99/77/24/568997724.db2.gz DNYROQRBCWXBRR-UHFFFAOYSA-N 0 3 432.568 4.454 50 0 IIAAHN C[C@@H](C(=O)NC[C@H](c1ccccc1)N1CCC(C)CC1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000170600664 569142920 /nfs/dbraw/zinc/14/29/20/569142920.db2.gz NWQBDNPULUSROZ-DENIHFKCSA-N 0 3 429.605 4.079 50 0 IIAAHN Cc1nc(-c2cccc(NC(=O)NCc3ccccc3CN3CCC[C@@H]3CO)c2)oc1C ZINC000170609696 569144764 /nfs/dbraw/zinc/14/47/64/569144764.db2.gz QMNJGDLIGQNFSY-HSZRJFAPSA-N 0 3 434.540 4.237 50 0 IIAAHN C[C@@H](NC(=O)[C@@H]1CCCN1C1CCN(CC(F)(F)F)CC1)c1ccc2c(c1)CCCC2 ZINC000089905067 569167241 /nfs/dbraw/zinc/16/72/41/569167241.db2.gz NEFHOOWMPJESDE-VGSWGCGISA-N 0 3 437.550 4.234 50 0 IIAAHN COc1ccc(CNC(=O)N(CCN2CCCC2)Cc2ccc(Cl)cc2)cc1OC ZINC000079107176 569325911 /nfs/dbraw/zinc/32/59/11/569325911.db2.gz MAIZKTYUIXLUOM-UHFFFAOYSA-N 0 3 431.964 4.165 50 0 IIAAHN O=C(CCc1ccc2ccccc2c1)N1CCC[C@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000095393009 569363404 /nfs/dbraw/zinc/36/34/04/569363404.db2.gz QCVMTZXBRYLGQZ-XMMPIXPASA-N 0 3 442.607 4.228 50 0 IIAAHN CCc1ccc(-c2nc(C)c(C(=O)N3CCN(c4ccc(CN(C)C)cn4)CC3)s2)cc1 ZINC000095959738 569377099 /nfs/dbraw/zinc/37/70/99/569377099.db2.gz CIDKDWGGXVENSX-UHFFFAOYSA-N 0 3 449.624 4.100 50 0 IIAAHN O=C(NCc1ccccc1CN1CCC[C@@H]1CO)[C@H]1C[C@@H]1c1ccc(Cl)cc1Cl ZINC000096007057 569379478 /nfs/dbraw/zinc/37/94/78/569379478.db2.gz QQJLRDKXZYPOCO-NRSPTQNISA-N 0 3 433.379 4.370 50 0 IIAAHN CN(C)Cc1ccc(-c2ccccc2CNC(=O)CCCNC(=O)c2cccs2)cc1 ZINC000031077835 569453216 /nfs/dbraw/zinc/45/32/16/569453216.db2.gz BLDKCLRATFBFPY-UHFFFAOYSA-N 0 3 435.593 4.303 50 0 IIAAHN CN(C)Cc1ccc(-c2ccccc2CNC(=O)[C@H]2CC(=O)Nc3cc(F)ccc32)cc1 ZINC000031079280 569453253 /nfs/dbraw/zinc/45/32/53/569453253.db2.gz KGOWOOFTFPLCIF-QHCPKHFHSA-N 0 3 431.511 4.297 50 0 IIAAHN Cc1cccc(N2CCN(CCCCNC(=O)Cc3cccc(C(F)(F)F)c3)CC2)c1 ZINC000032067486 569459041 /nfs/dbraw/zinc/45/90/41/569459041.db2.gz XHWKCNNTYYQBIF-UHFFFAOYSA-N 0 3 433.518 4.275 50 0 IIAAHN COc1ccc(S(=O)(=O)N2CCN(C34CC5CC(CC(C5)C3)C4)CC2)c2ccccc12 ZINC000008931867 569487604 /nfs/dbraw/zinc/48/76/04/569487604.db2.gz JWSNFIRXCJPMDV-UHFFFAOYSA-N 0 3 440.609 4.124 50 0 IIAAHN Cc1cccc(C)c1OCC(=O)Nc1ccc(Cl)cc1C(=O)N(C)C1CCN(C)CC1 ZINC000040152442 569493418 /nfs/dbraw/zinc/49/34/18/569493418.db2.gz OOHPOAGMWQBHGU-UHFFFAOYSA-N 0 3 443.975 4.141 50 0 IIAAHN O=C1C2ON(c3ccccc3)[C@H](c3ccncc3)[C@H]2C(=O)N1c1c(Cl)cccc1Cl ZINC000009013072 569496649 /nfs/dbraw/zinc/49/66/49/569496649.db2.gz MYCSDMQSSHIWLC-QWFCFKBJSA-N 0 3 440.286 4.440 50 0 IIAAHN CCN1CCc2c(sc(-n3cccc3)c2CNC(=O)Nc2ccccc2C(=O)OC)C1 ZINC000009151101 569507376 /nfs/dbraw/zinc/50/73/76/569507376.db2.gz PILSDAHGLNXIIS-UHFFFAOYSA-N 0 3 438.553 4.025 50 0 IIAAHN CN(C(=O)[C@@H]1C[C@@H]1c1ccc(Br)cc1)C1CCN(CCc2ccncc2)CC1 ZINC000070038446 569529389 /nfs/dbraw/zinc/52/93/89/569529389.db2.gz OXIXMWBFDLHHNS-FGZHOGPDSA-N 0 3 442.401 4.113 50 0 IIAAHN CCN(CC)CCN(C(=O)Cc1ccc2c(c1)OCO2)c1nc2c(cccc2F)s1 ZINC000009521029 569544439 /nfs/dbraw/zinc/54/44/39/569544439.db2.gz UYRJZGYIKSBYRT-UHFFFAOYSA-N 0 3 429.517 4.082 50 0 IIAAHN COc1ccc(CCNC(=O)C2CN(C(c3ccccc3)c3ccccc3)C2)cc1OC ZINC000071281787 569573675 /nfs/dbraw/zinc/57/36/75/569573675.db2.gz SYPGBLBPNLLQKM-UHFFFAOYSA-N 0 3 430.548 4.084 50 0 IIAAHN CCN1CCN(c2ccc(NC(=O)c3ccccc3SC[C@H]3CCCO3)cc2)CC1 ZINC000008156264 132280977 /nfs/dbraw/zinc/28/09/77/132280977.db2.gz KBCJVKWFHAIYHN-OAQYLSRUSA-N 0 3 425.598 4.352 50 0 IIAAHN C/C=C(\C)CN1CCC([C@@]2(Cc3ccccc3Cl)NC(=O)N(CC3CC3)C2=O)CC1 ZINC000012157707 518485287 /nfs/dbraw/zinc/48/52/87/518485287.db2.gz FOSCRJXDWAJDDK-ZIRXDOEPSA-N 0 3 429.992 4.261 50 0 IIAAHN CC(C)OCCCn1cnc2sc3c(c2c1=O)CC[C@H](NCc1cc(F)cc(F)c1)C3 ZINC000020600284 519764975 /nfs/dbraw/zinc/76/49/75/519764975.db2.gz DSHXCVUHCIYFAY-SFHVURJKSA-N 0 3 447.551 4.198 50 0 IIAAHN CC(C)[C@H](NCC(=O)N1c2ccccc2NC(=O)C[C@@H]1C(F)(F)F)c1ccc(F)cc1 ZINC000021317175 519820574 /nfs/dbraw/zinc/82/05/74/519820574.db2.gz LJMOKQCOGPFRGF-NQIIRXRSSA-N 0 3 437.437 4.419 50 0 IIAAHN CCN(CC)CCN(C(=O)c1ccc(C(=O)OC)cc1)c1nc2c(cccc2F)s1 ZINC000012140868 520639563 /nfs/dbraw/zinc/63/95/63/520639563.db2.gz SOVCUBVUFGLGRX-UHFFFAOYSA-N 0 3 429.517 4.211 50 0 IIAAHN CCN(CC)[C@@H](CNC(=O)c1nn(-c2ccc(Cl)cc2)c(C)cc1=O)c1ccccc1 ZINC000022752351 520836815 /nfs/dbraw/zinc/83/68/15/520836815.db2.gz GTFJTWQBJFPCCR-NRFANRHFSA-N 0 3 438.959 4.007 50 0 IIAAHN CCN(CC)[C@H](CNC(=O)c1nn(-c2ccc(Cl)cc2)c(C)cc1=O)c1ccccc1 ZINC000022752357 520866951 /nfs/dbraw/zinc/86/69/51/520866951.db2.gz GTFJTWQBJFPCCR-OAQYLSRUSA-N 0 3 438.959 4.007 50 0 IIAAHN CC1CCN(CCNC(=O)c2ccc(CNc3[nH]c(=S)nc4ccccc43)cc2)CC1 ZINC000020646039 521014255 /nfs/dbraw/zinc/01/42/55/521014255.db2.gz JVVQSCWOEDZBQU-UHFFFAOYSA-N 0 3 435.597 4.366 50 0 IIAAHN CC1CCN([C@@H](CNC(=O)COCc2nc3ccccc3s2)c2cccs2)CC1 ZINC000022680920 521034157 /nfs/dbraw/zinc/03/41/57/521034157.db2.gz IIHPQICTAQPYCA-SFHVURJKSA-N 0 3 429.611 4.464 50 0 IIAAHN CC1CCN([C@H](CNC(=O)C[C@H]2Sc3ccccc3NC2=O)c2cccs2)CC1 ZINC000022681271 521037272 /nfs/dbraw/zinc/03/72/72/521037272.db2.gz COUNIRGUQMOSEW-YLJYHZDGSA-N 0 3 429.611 4.140 50 0 IIAAHN CCOc1ccccc1CN1CCC(n2nccc2NC(=O)[C@H](OC)c2ccccc2)CC1 ZINC000012297627 521482279 /nfs/dbraw/zinc/48/22/79/521482279.db2.gz FMYNOKRZMWGFLE-RUZDIDTESA-N 0 3 448.567 4.445 50 0 IIAAHN CCN1CCC[C@H]1CNC(=O)Cc1ccc(NC(=O)N2CCCCc3ccccc32)cc1 ZINC000020988238 521654575 /nfs/dbraw/zinc/65/45/75/521654575.db2.gz WFWLKRLQRPCPBC-QHCPKHFHSA-N 0 3 434.584 4.204 50 0 IIAAHN COC(=O)CC[C@@H](C)N1CCC(n2nccc2NC(=O)Nc2ccccc2Cl)CC1 ZINC000020534912 523110738 /nfs/dbraw/zinc/11/07/38/523110738.db2.gz MUTSBIFZHZUQTR-OAHLLOKOSA-N 0 3 433.940 4.159 50 0 IIAAHN COCCCNC(=O)C1CCN(Cc2cc3ccccc3n2Cc2ccc(C)cc2)CC1 ZINC000021116289 523315093 /nfs/dbraw/zinc/31/50/93/523315093.db2.gz MAMKDZAOGOWYFA-UHFFFAOYSA-N 0 3 433.596 4.363 50 0 IIAAHN CN1CCC[C@@H](COC(=O)c2cnn3c2nc(-c2ccc(F)cc2)cc3C(F)(F)F)C1 ZINC000021792712 523815267 /nfs/dbraw/zinc/81/52/67/523815267.db2.gz HREWOCHOINHKFB-CYBMUJFWSA-N 0 3 436.409 4.053 50 0 IIAAHN COCCNC(=O)c1ccc(OC2CCN(Cc3cc(C)ccc3C)CC2)c(Cl)c1 ZINC000012714350 523926624 /nfs/dbraw/zinc/92/66/24/523926624.db2.gz DJQCVWNPEFABJM-UHFFFAOYSA-N 0 3 430.976 4.376 50 0 IIAAHN COc1ccc(CN2CCC(n3nccc3NC(=O)CCOc3ccccc3)CC2)cc1C ZINC000012302675 524025232 /nfs/dbraw/zinc/02/52/32/524025232.db2.gz PJSGJCDZKKZHRB-UHFFFAOYSA-N 0 3 448.567 4.445 50 0 IIAAHN CN(C)C(=O)c1nc2ccc(Cl)cn2c1CNC[C@@H](c1ccccc1)N1CCCCC1 ZINC000020452932 524031900 /nfs/dbraw/zinc/03/19/00/524031900.db2.gz VSNMZBSHGDFQME-FQEVSTJZSA-N 0 3 439.991 4.006 50 0 IIAAHN Cc1c(Nc2ccc(CNC[C@H](c3ccco3)N(C)C)cc2)c(=O)n(-c2ccccc2)n1C ZINC000022925212 525879275 /nfs/dbraw/zinc/87/92/75/525879275.db2.gz XMXPSYSDLCEOEW-HSZRJFAPSA-N 0 3 445.567 4.214 50 0 IIAAHN Cc1ccc(-n2ncc(C(=O)NC3CCN(Cc4ccccc4)CC3)c2-n2cccc2)cc1 ZINC000015681297 525932635 /nfs/dbraw/zinc/93/26/35/525932635.db2.gz ROQRQVKLKOAOJR-UHFFFAOYSA-N 0 3 439.563 4.366 50 0 IIAAHN Cc1cnccc1CNC(=O)c1ccc(OC2CCN(CCc3ccccc3)CC2)cc1 ZINC000012303758 526234601 /nfs/dbraw/zinc/23/46/01/526234601.db2.gz LORMBQAQOSDUNW-UHFFFAOYSA-N 0 3 429.564 4.406 50 0 IIAAHN O=C(CCN1Cc2ccccc2O[C@H](c2ccccc2)C1)NCc1ccc2nsnc2c1 ZINC000020601064 526495873 /nfs/dbraw/zinc/49/58/73/526495873.db2.gz KIGKFIBOKCBLJG-DEOSSOPVSA-N 0 3 444.560 4.334 50 0 IIAAHN O=C(NC[C@H]1CCCN(Cc2cnc(-c3ccccc3)s2)C1)c1[nH]nc2ccccc21 ZINC000012443433 526595192 /nfs/dbraw/zinc/59/51/92/526595192.db2.gz YQDBZWUURZJLCN-QGZVFWFLSA-N 0 3 431.565 4.328 50 0 IIAAHN CCOC(=O)Nc1ccc2c(c1)N(C(=O)CCN(CC)CC)c1ccccc1[S@]2=O ZINC000013154571 535412575 /nfs/dbraw/zinc/41/25/75/535412575.db2.gz TYCOHDNYAYQQMC-SSEXGKCCSA-N 0 3 429.542 4.132 50 0 IIAAHN O=C(C1CCCC1)N1C[C@@H](c2ccccc2)[C@@H](CN2CCN(c3ccc(F)cc3)CC2)C1 ZINC000034697676 555811261 /nfs/dbraw/zinc/81/12/61/555811261.db2.gz OXNOJVNGVJYKQR-OZXSUGGESA-N 0 3 435.587 4.380 50 0 IIAAHN CN(C)CCNC(=O)c1csc(-c2ccc(OCc3ccc(Cl)cc3)cc2F)n1 ZINC000034713469 555826688 /nfs/dbraw/zinc/82/66/88/555826688.db2.gz FFCZZOGBKLCRAF-UHFFFAOYSA-N 0 3 433.936 4.473 50 0 IIAAHN Fc1ccccc1COc1cccc(CNCCSc2nnnn2-c2ccccc2)c1 ZINC000009249989 556267402 /nfs/dbraw/zinc/26/74/02/556267402.db2.gz YFELPTWXFUKFJU-UHFFFAOYSA-N 0 3 435.528 4.262 50 0 IIAAHN CN(C)CCN(C[C@@H]1CCCN(Cc2ccccc2F)C1)C(=O)c1ccc2ncccc2c1 ZINC000011817042 556359673 /nfs/dbraw/zinc/35/96/73/556359673.db2.gz ZKVFCSHKERVGBP-OAQYLSRUSA-N 0 3 448.586 4.290 50 0 IIAAHN C[C@@H](NC[C@H](c1cccs1)c1c[nH]c2ccccc21)C(=O)NCc1ccc2c(c1)OCO2 ZINC000014095869 556367513 /nfs/dbraw/zinc/36/75/13/556367513.db2.gz NFGOZURZMCJYTI-UZLBHIALSA-N 0 3 447.560 4.385 50 0 IIAAHN O=C(Nc1ccnn1C1CCN(C/C=C/c2ccc(F)cc2)CC1)c1ccc2c(c1)OCO2 ZINC000011880013 556372147 /nfs/dbraw/zinc/37/21/47/556372147.db2.gz ATWZAPKDYFSORR-OWOJBTEDSA-N 0 3 448.498 4.354 50 0 IIAAHN O=C(CCC1CCN(c2ncccc2Cl)CC1)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000012056528 556394219 /nfs/dbraw/zinc/39/42/19/556394219.db2.gz BFLXJOWMIUWVGI-NRFANRHFSA-N 0 3 426.992 4.122 50 0 IIAAHN COc1ccc([C@H](CNC(=O)c2c(C)onc2-c2c(F)cccc2Cl)N(C)C)cc1 ZINC000014244159 556403775 /nfs/dbraw/zinc/40/37/75/556403775.db2.gz RMDFJDWSHIUQCL-SFHVURJKSA-N 0 3 431.895 4.484 50 0 IIAAHN C/C(=C\c1ccccc1)CN1CCc2nnc([C@H](C)NC(=O)CCc3ccccc3)n2CC1 ZINC000014963549 556465075 /nfs/dbraw/zinc/46/50/75/556465075.db2.gz CHFPCCGUJJPDDB-KGAYOUTBSA-N 0 3 443.595 4.050 50 0 IIAAHN C[C@H]1CCCN(Cc2cc(-c3ccc4c(c3)OCO4)ccc2OCC(=O)N2CCCC2)C1 ZINC000014969731 556466785 /nfs/dbraw/zinc/46/67/85/556466785.db2.gz HIHWBVSTWFUZIB-IBGZPJMESA-N 0 3 436.552 4.315 50 0 IIAAHN Cc1cc(CN[C@H]2CCc3c(sc4ncn(CCCc5ccccc5)c(=O)c34)C2)on1 ZINC000015006566 556481927 /nfs/dbraw/zinc/48/19/27/556481927.db2.gz NEIOKCHFVSFPCJ-SFHVURJKSA-N 0 3 434.565 4.034 50 0 IIAAHN O=C1C2ON(c3ccccc3)[C@@H](c3ccc(O)cc3)[C@H]2C(=O)N1c1ccc(Cl)c(F)c1 ZINC000013658344 556546381 /nfs/dbraw/zinc/54/63/81/556546381.db2.gz JOPMZDNLMORPSK-QHAWAJNXSA-N 0 3 438.842 4.236 50 0 IIAAHN CC(C)Cn1c2ccccc2nc(-c2ccc(C(=O)NCCN3CCCCCC3)cc2)c1=O ZINC000033171815 556882571 /nfs/dbraw/zinc/88/25/71/556882571.db2.gz IDRLNWWAMYETTE-UHFFFAOYSA-N 0 3 446.595 4.325 50 0 IIAAHN O=c1c2c(ncn1Cc1ccccn1)sc1c2CC[C@@H](NCc2ccccc2Cl)C1 ZINC000019799426 556917058 /nfs/dbraw/zinc/91/70/58/556917058.db2.gz VASYEMSTTHDVSN-MRXNPFEDSA-N 0 3 436.968 4.202 50 0 IIAAHN CCc1ccccc1NC(=O)CC1C(=O)N(Cc2ccccn2)c2nc3ccccc3n21 ZINC000020103545 556981012 /nfs/dbraw/zinc/98/10/12/556981012.db2.gz JBYWQLVFXZOEKN-QFIPXVFZSA-N 0 3 425.492 4.110 50 0 IIAAHN O=C(C1CCN(c2ncnc3c4ccccc4oc32)CC1)N1CCN(C2CCCCC2)CC1 ZINC000033290444 557068848 /nfs/dbraw/zinc/06/88/48/557068848.db2.gz WWKMCERIYCBXTF-UHFFFAOYSA-N 0 3 447.583 4.069 50 0 IIAAHN c1csc([C@@H](CNCc2cn(-c3ccccc3)nc2-c2cccnc2)N2CCOCC2)c1 ZINC000023257813 557080294 /nfs/dbraw/zinc/08/02/94/557080294.db2.gz QDEKDXQRXZMUNP-HSZRJFAPSA-N 0 3 445.592 4.159 50 0 IIAAHN Cc1c(CN2CCC[C@@H](C(=O)c3cccc(OC(C)C)c3)C2)c(=O)n(-c2ccccc2)n1C ZINC000023339363 557085699 /nfs/dbraw/zinc/08/56/99/557085699.db2.gz XDZZASQZPMEHDP-JOCHJYFZSA-N 0 3 447.579 4.367 50 0 IIAAHN Cc1ccc(Cl)cc1NC(=O)CC1C(=O)N(C[C@@H]2CCCO2)c2nc3ccccc3n21 ZINC000023382253 557089600 /nfs/dbraw/zinc/08/96/00/557089600.db2.gz PARDREORWNDVNY-JXFKEZNVSA-N 0 3 438.915 4.094 50 0 IIAAHN CCc1ccc(-c2noc(CCC(=O)NC[C@H](c3ccc(OC)cc3)N3CCCC3)n2)cc1 ZINC000023392047 557090282 /nfs/dbraw/zinc/09/02/82/557090282.db2.gz FJUIAVVDMOINAF-HSZRJFAPSA-N 0 3 448.567 4.194 50 0 IIAAHN O=C(CC1C(=O)N(Cc2cccnc2)c2nc3ccccc3n21)Nc1cccc(Cl)c1 ZINC000023411295 557091351 /nfs/dbraw/zinc/09/13/51/557091351.db2.gz MBGNDHSOJCYFEF-HXUWFJFHSA-N 0 3 431.883 4.201 50 0 IIAAHN CCN(CC)[C@@H](CNC(=O)NCc1ccc(NC(=O)c2ccco2)cc1)c1ccccc1 ZINC000011552526 557183649 /nfs/dbraw/zinc/18/36/49/557183649.db2.gz MOHPFQFFJSPRCC-QFIPXVFZSA-N 0 3 434.540 4.414 50 0 IIAAHN O=C(N[C@H](C(=O)NC1CCN(Cc2ccccc2)CC1)c1ccccc1)c1cccs1 ZINC000025527747 557213101 /nfs/dbraw/zinc/21/31/01/557213101.db2.gz VNAUQCVWSDUZQP-QHCPKHFHSA-N 0 3 433.577 4.000 50 0 IIAAHN CCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc(F)cc4)[C@H]3C2=O)cc1 ZINC000100602924 557265598 /nfs/dbraw/zinc/26/55/98/557265598.db2.gz CLDHLEJEAVKJKI-ZLNRFVROSA-N 0 3 432.451 4.276 50 0 IIAAHN CCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(F)cc4)[C@@H]3C2=O)cc1 ZINC000100722362 557271345 /nfs/dbraw/zinc/27/13/45/557271345.db2.gz CLDHLEJEAVKJKI-RJGXRXQPSA-N 0 3 432.451 4.276 50 0 IIAAHN COc1ccc(N2OC3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@@H]3[C@@H]2c2ccccc2)cc1 ZINC000102701189 557365353 /nfs/dbraw/zinc/36/53/53/557365353.db2.gz BFWHVTSVWUKBED-FSSWDIPSSA-N 0 3 434.879 4.400 50 0 IIAAHN Cc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(O)cc4)[C@@H]3C2=O)cc1Cl ZINC000102707148 557366829 /nfs/dbraw/zinc/36/68/29/557366829.db2.gz KIOTYXJJIYNXKL-FDFHNCONSA-N 0 3 434.879 4.405 50 0 IIAAHN COc1cccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(Cl)cc4)[C@@H]3C2=O)c1 ZINC000102720052 557375658 /nfs/dbraw/zinc/37/56/58/557375658.db2.gz WOETXSICZKRVLL-FDFHNCONSA-N 0 3 434.879 4.400 50 0 IIAAHN CCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4cccc(F)c4)[C@@H]3C2=O)cc1 ZINC000102760435 557385169 /nfs/dbraw/zinc/38/51/69/557385169.db2.gz GLVBQKOMRGPEFT-RJGXRXQPSA-N 0 3 432.451 4.276 50 0 IIAAHN O=C1C2ON(c3ccccc3)[C@H](c3ccncc3)[C@@H]2C(=O)N1c1cccc(C(F)(F)F)c1 ZINC000102864823 557404026 /nfs/dbraw/zinc/40/40/26/557404026.db2.gz OYAYTABGNJMOJJ-XUVXKRRUSA-N 0 3 439.393 4.152 50 0 IIAAHN CCCN1CCN(CCCNC(=O)c2cc3c(s2)c2ccccc2nc3Cl)CC1 ZINC000020286190 563024410 /nfs/dbraw/zinc/02/44/10/563024410.db2.gz FTCPBXODDBYZQY-UHFFFAOYSA-N 0 3 431.005 4.250 50 0 IIAAHN O=C(Cc1ccccc1)Nc1ccnn1C1CCN(Cc2c[nH]nc2-c2ccccc2)CC1 ZINC000012301314 568612965 /nfs/dbraw/zinc/61/29/65/568612965.db2.gz DXRAMNYLSVCOBI-UHFFFAOYSA-N 0 3 440.551 4.292 50 0 IIAAHN CSc1ccccc1CN1CCC(CNC(=O)C(=O)Nc2cccc(Cl)c2C)CC1 ZINC000043942576 568743670 /nfs/dbraw/zinc/74/36/70/568743670.db2.gz RALTYXLXIPKHKK-UHFFFAOYSA-N 0 3 446.016 4.337 50 0 IIAAHN COc1ccc([C@@H]2[C@H]3C(=O)N(c4ccccc4Cl)C(=O)C3ON2c2ccccc2)cc1 ZINC000097743286 568828101 /nfs/dbraw/zinc/82/81/01/568828101.db2.gz KHWAVBYANPTJJF-VSKRKVRLSA-N 0 3 434.879 4.400 50 0 IIAAHN COc1ccc(N2OC3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@H]3[C@@H]2c2ccccc2)cc1 ZINC000239275137 568910965 /nfs/dbraw/zinc/91/09/65/568910965.db2.gz BFWHVTSVWUKBED-FKBYEOEOSA-N 0 3 434.879 4.400 50 0 IIAAHN COc1ccc([C@@H]2N(c3ccccc3)OC3C(=O)N(c4ccc(F)cc4)C(=O)[C@@]32C)cc1 ZINC000245226273 568912872 /nfs/dbraw/zinc/91/28/72/568912872.db2.gz NMDGAVCPYORKSW-WRALFONMSA-N 0 3 432.451 4.276 50 0 IIAAHN O=C(NCc1ccco1)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CCN(C3CCCC3)C[C@@H]12 ZINC000169678694 568989893 /nfs/dbraw/zinc/98/98/93/568989893.db2.gz DKNUMTGHKPSIRT-IRLDBZIGSA-N 0 3 447.501 4.220 50 0 IIAAHN Cc1ccc(OC[C@@H]2c3ccsc3CCN2C(=O)CN(CCC(C)C)C[C@@H](C)O)cc1 ZINC000036309167 568995986 /nfs/dbraw/zinc/99/59/86/568995986.db2.gz UFQXTZFKTJRBJN-NFBKMPQASA-N 0 3 444.641 4.290 50 0 IIAAHN CC[C@@H](O)CN(CC(=O)N1CCc2sccc2[C@@H]1COc1cccc(F)c1)CC(C)C ZINC000036309560 568996325 /nfs/dbraw/zinc/99/63/25/568996325.db2.gz KFBPRVOSTGVXRB-KNQAVFIVSA-N 0 3 448.604 4.121 50 0 IIAAHN COc1ccc(C(=O)N(CCN(C)C)Cc2c(-c3ccccc3)noc2N2CCCC2)cc1 ZINC000036312424 568997544 /nfs/dbraw/zinc/99/75/44/568997544.db2.gz LHFXSUMZGXSHNV-UHFFFAOYSA-N 0 3 448.567 4.154 50 0 IIAAHN Cc1ccc2c(cc(NC(=O)C3CCC3)cc2C(=O)N2CCN(C3CCCCC3)CC2)n1 ZINC000065136097 569110273 /nfs/dbraw/zinc/11/02/73/569110273.db2.gz OEDRUPYPUCXUPL-UHFFFAOYSA-N 0 3 434.584 4.372 50 0 IIAAHN O=C(NC1CCN(Cc2ccccc2)CC1)c1cccc2c1CCN2C(=O)c1ccccc1 ZINC000065210005 569116587 /nfs/dbraw/zinc/11/65/87/569116587.db2.gz GIMIXLWTHFVZFR-UHFFFAOYSA-N 0 3 439.559 4.284 50 0 IIAAHN O=C(c1cccc(N2CCN[C@H](c3ccccc3)C2)n1)N1CCC(Cc2ccccc2)CC1 ZINC000065256245 569123222 /nfs/dbraw/zinc/12/32/22/569123222.db2.gz JRMKPUJZMCOFDG-SANMLTNESA-N 0 3 440.591 4.327 50 0 IIAAHN Cc1ccccc1C(=O)N(Cc1ccccc1)c1ccc(CC(=O)NCCN(C)C)cc1 ZINC000037279284 569145408 /nfs/dbraw/zinc/14/54/08/569145408.db2.gz CSTCSCDQPPQZAE-UHFFFAOYSA-N 0 3 429.564 4.062 50 0 IIAAHN Cc1ccc(C(=O)N(Cc2cccc(F)c2)c2ccc(CC(=O)NCCN(C)C)cc2)cc1 ZINC000037279316 569145581 /nfs/dbraw/zinc/14/55/81/569145581.db2.gz OLBJFRIYXRBPRL-UHFFFAOYSA-N 0 3 447.554 4.201 50 0 IIAAHN CC1CCN([C@@H](CNC(=O)[C@@H]2CCCN2C(=O)C2CCCCC2)c2cccs2)CC1 ZINC000089929951 569167960 /nfs/dbraw/zinc/16/79/60/569167960.db2.gz ZUKLWBIQPNHTTL-SFTDATJTSA-N 0 3 431.646 4.209 50 0 IIAAHN Cc1cccc(-n2nc3nc(N4CCN(C(C)C)CC4)nc(-c4cccc(F)c4)c3c2N)c1 ZINC000037375842 569185471 /nfs/dbraw/zinc/18/54/71/569185471.db2.gz JPLZSFFWFXABSW-UHFFFAOYSA-N 0 3 445.546 4.043 50 0 IIAAHN CO[C@@H](C)c1nc(CN2CCCN(CCC(=O)Nc3cccc(Cl)c3)CC2)cs1 ZINC000079053162 569323544 /nfs/dbraw/zinc/32/35/44/569323544.db2.gz ZBKKSPNZLDLTIY-INIZCTEOSA-N 0 3 437.009 4.040 50 0 IIAAHN COc1ccc(Br)cc1CCC(=O)N1CC[C@@H](N2CCc3ccccc3C2)C1 ZINC000225685630 569407107 /nfs/dbraw/zinc/40/71/07/569407107.db2.gz NLWLIKKZPJCWHA-OAQYLSRUSA-N 0 3 443.385 4.050 50 0 IIAAHN COc1ccc(NC(=O)[C@H]2C[C@H](CC(C)C)N[C@]23C(=O)Nc2c3cc(C)cc2Cl)cc1 ZINC000057099732 569429622 /nfs/dbraw/zinc/42/96/22/569429622.db2.gz VRKKVUUNLQWSCP-WVCKHHOPSA-N 0 3 441.959 4.467 50 0 IIAAHN O=C(NCCN1CCCCCC1)c1cc(=O)n(Cc2ccc(Cl)cc2)c2ccccc12 ZINC000003042533 569438531 /nfs/dbraw/zinc/43/85/31/569438531.db2.gz OYJHCNGILXYJNX-UHFFFAOYSA-N 0 3 437.971 4.309 50 0 IIAAHN CN(CCCNC(=O)c1cccc(OCc2cn3ccccc3n2)c1)Cc1ccccc1 ZINC000058442781 569454840 /nfs/dbraw/zinc/45/48/40/569454840.db2.gz PZDMUEYAXFTKAN-UHFFFAOYSA-N 0 3 428.536 4.165 50 0 IIAAHN O=C(NC1CCN(Cc2ccccc2)CC1)c1cnn(-c2ccccc2)c1C(F)(F)F ZINC000040050920 569484288 /nfs/dbraw/zinc/48/42/88/569484288.db2.gz WGVCHNUZQZCMRY-UHFFFAOYSA-N 0 3 428.458 4.286 50 0 IIAAHN Cc1ccccc1C(=O)Nc1nc(C(=O)NC2CCN(Cc3ccccc3)CC2)cs1 ZINC000040355364 569499751 /nfs/dbraw/zinc/49/97/51/569499751.db2.gz NCDHRJCLRRFBAO-UHFFFAOYSA-N 0 3 434.565 4.098 50 0 IIAAHN CC[C@H](C)CN(CC(=O)N1CCc2sccc2[C@H]1COc1ccc(F)cc1)C[C@@H](C)O ZINC000245330063 569504103 /nfs/dbraw/zinc/50/41/03/569504103.db2.gz WUMWIJAUPGVCBR-NJNPRVFISA-N 0 3 448.604 4.121 50 0 IIAAHN CCOC(=O)c1c(NC(=O)c2ccc3c(c2)OCO3)sc2c1CC(C)(C)NC2(C)C ZINC000009174708 569509684 /nfs/dbraw/zinc/50/96/84/569509684.db2.gz FMFSFMXWXOTKBL-UHFFFAOYSA-N 0 3 430.526 4.065 50 0 IIAAHN Cc1cc2oc3c(c(=O)c2cc1Cl)[C@H](c1ccccc1F)N(CCCN(C)C)C3=O ZINC000009328238 569522837 /nfs/dbraw/zinc/52/28/37/569522837.db2.gz JGGWKCSKEDGHRA-FQEVSTJZSA-N 0 3 428.891 4.391 50 0 IIAAHN COc1ccc(OCCCN(CCCOc2ccc(OC)cc2)CCn2cccn2)cc1 ZINC000069979244 569526831 /nfs/dbraw/zinc/52/68/31/569526831.db2.gz VOMCDKMQVDVFNE-UHFFFAOYSA-N 0 3 439.556 4.141 50 0 IIAAHN COc1cccc([C@@H]2c3c(oc4cc(C)c(Cl)cc4c3=O)C(=O)N2CCCN(C)C)c1 ZINC000010233085 569579424 /nfs/dbraw/zinc/57/94/24/569579424.db2.gz FECVMEBFOJLBEN-OAQYLSRUSA-N 0 3 440.927 4.260 50 0 IIAAHN CC(C)[C@@H](NCC(=O)N1c2ccccc2NC(=O)C[C@H]1C(F)(F)F)c1ccc(F)cc1 ZINC000021317180 519798831 /nfs/dbraw/zinc/79/88/31/519798831.db2.gz LJMOKQCOGPFRGF-GHTZIAJQSA-N 0 3 437.437 4.419 50 0 IIAAHN CC1CCN([C@H](CNC(=O)CNC(=O)Cc2cccc3ccccc32)c2cccs2)CC1 ZINC000012816819 521035258 /nfs/dbraw/zinc/03/52/58/521035258.db2.gz CSHLYFWSWTYUOA-HSZRJFAPSA-N 0 3 449.620 4.149 50 0 IIAAHN CCN(C[C@@H]1CCCN(CCc2cccc(F)c2)C1)C(=O)c1ccc(C(=O)OC)cc1 ZINC000012092447 521220109 /nfs/dbraw/zinc/22/01/09/521220109.db2.gz KJBRRHNBDKRETL-HXUWFJFHSA-N 0 3 426.532 4.029 50 0 IIAAHN CCOC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)CNCCN(CC)CC ZINC000022917244 521370277 /nfs/dbraw/zinc/37/02/77/521370277.db2.gz PALABAGUCGTJRB-UHFFFAOYSA-N 0 3 437.993 4.115 50 0 IIAAHN CCN1CCN(c2ccc(NC(=O)CN[C@@H](c3cccs3)c3ccccc3)cc2)CC1 ZINC000012642274 521698074 /nfs/dbraw/zinc/69/80/74/521698074.db2.gz YLFBCUHOPWJTDE-RUZDIDTESA-N 0 3 434.609 4.208 50 0 IIAAHN CCN1CCN(c2ccc(NC(=O)CSc3nccn3-c3cc(C)ccc3C)cc2)CC1 ZINC000012732773 521698631 /nfs/dbraw/zinc/69/86/31/521698631.db2.gz MADZEWWVOZNDLU-UHFFFAOYSA-N 0 3 449.624 4.362 50 0 IIAAHN CN(C)CCN(Cc1cc(NC(=O)CC(C)(C)C)ccc1N(C)C)C(=O)c1cccs1 ZINC000035945302 521749869 /nfs/dbraw/zinc/74/98/69/521749869.db2.gz FHUSFEHWRKHBJW-UHFFFAOYSA-N 0 3 444.645 4.393 50 0 IIAAHN COc1cc(-c2n[nH]cc2CN2CCCC[C@@H]2CCn2ccnc2C)cc(OC)c1OC ZINC000012437413 521900285 /nfs/dbraw/zinc/90/02/85/521900285.db2.gz GWAOYTHVBQTDQB-HXUWFJFHSA-N 0 3 439.560 4.052 50 0 IIAAHN COc1cc(OC)c(OC)cc1CNC(=O)CN(Cc1ccc(F)cc1)C1CCCCC1 ZINC000012818907 522825343 /nfs/dbraw/zinc/82/53/43/522825343.db2.gz WAOOXCJWYMESLK-UHFFFAOYSA-N 0 3 444.547 4.303 50 0 IIAAHN COc1cc(OC)cc([C@@H]2C[C@H]3CN(Cc4cccc(Cl)c4)C(=O)[C@]34CCCN24)c1 ZINC000012443474 522881269 /nfs/dbraw/zinc/88/12/69/522881269.db2.gz LFHGHLVYMWZJIP-OEOAZWSVSA-N 0 3 426.944 4.295 50 0 IIAAHN CN(Cc1ccccc1CN1CCCC1)C(=O)[C@@H]1CCC(=O)N(CC2CCCCC2)C1 ZINC000012712973 523360436 /nfs/dbraw/zinc/36/04/36/523360436.db2.gz YTIDRDRBMJMXCW-XMMPIXPASA-N 0 3 425.617 4.060 50 0 IIAAHN CCn1cc(CN2CCC(C(=O)N3CCN(c4ccccc4F)CC3)CC2)c2ccccc21 ZINC000035562287 523370011 /nfs/dbraw/zinc/37/00/11/523370011.db2.gz BPFYCLNIVYOQFR-UHFFFAOYSA-N 0 3 448.586 4.361 50 0 IIAAHN COc1ccc(C(=O)NCCc2c[nH]c3ccccc23)cc1OC1CCN(C(C)C)CC1 ZINC000012431842 523702344 /nfs/dbraw/zinc/70/23/44/523702344.db2.gz OUDCAILZNKDJAY-UHFFFAOYSA-N 0 3 435.568 4.401 50 0 IIAAHN COc1ccc(CN2CCC(n3nccc3NC(=O)[C@H](OC)c3ccccc3)CC2)cc1C ZINC000012712081 524025323 /nfs/dbraw/zinc/02/53/23/524025323.db2.gz OZWCOIALNOIWAE-RUZDIDTESA-N 0 3 448.567 4.363 50 0 IIAAHN CCc1ccc([C@@H](CNC(=O)[C@H](NC(=O)c2ccccc2Cl)C(C)C)N(C)C)cc1 ZINC000012778059 524029661 /nfs/dbraw/zinc/02/96/61/524029661.db2.gz DHQBEAIENRRPST-FGZHOGPDSA-N 0 3 429.992 4.076 50 0 IIAAHN COc1ccc(CN[C@@H]2C[C@@H](C(=O)NC(C)C)N(Cc3ccc(Cl)cc3)C2)c(C)c1C ZINC000020998437 524086860 /nfs/dbraw/zinc/08/68/60/524086860.db2.gz PMXMSZCYBXBVPT-PKTZIBPZSA-N 0 3 444.019 4.223 50 0 IIAAHN COc1cccc(N2C[C@@H]3C[C@@H](c4c[nH]nc4-c4cccc(F)c4)N4CCC[C@@]34C2=O)c1 ZINC000020449750 526163084 /nfs/dbraw/zinc/16/30/84/526163084.db2.gz QISMBIDMAUVXMD-WVBBGBOVSA-N 0 3 432.499 4.167 50 0 IIAAHN Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@H]1N2C(=O)COc1ccc(N(C)C(=O)C(C)(C)C)cc1 ZINC000012600267 526193814 /nfs/dbraw/zinc/19/38/14/526193814.db2.gz KQAFMCZKNKXFKS-LADGPHEKSA-N 0 3 449.595 4.217 50 0 IIAAHN Cc1cc(C(=O)N(C)C[C@H]2CCCN(CCc3cccc(C(F)(F)F)c3)C2)nc(C)n1 ZINC000012372794 526221702 /nfs/dbraw/zinc/22/17/02/526221702.db2.gz WWYQSQVJQKLGPU-LJQANCHMSA-N 0 3 434.506 4.139 50 0 IIAAHN O=C(CCC1CCN(Cc2ccc3nsnc3c2)CC1)N1CCN(c2ccccc2)CC1 ZINC000012313813 526408489 /nfs/dbraw/zinc/40/84/89/526408489.db2.gz VPMRBGXJAHIZLJ-UHFFFAOYSA-N 0 3 449.624 4.032 50 0 IIAAHN O=C1N(Cc2cccc(Cl)c2)C[C@@H]2C[C@@H](c3cccc(-n4cccn4)c3)N3CCC[C@@]123 ZINC000012714617 527038365 /nfs/dbraw/zinc/03/83/65/527038365.db2.gz JLNHZBANHYIYHW-OPHFCASCSA-N 0 3 432.955 4.464 50 0 IIAAHN CCCc1nc2c3cc4c(nc3sc2c(=O)n1CCN(CC)CC)CC(C)(C)OC4 ZINC000002444161 555780013 /nfs/dbraw/zinc/78/00/13/555780013.db2.gz DQZJUYCSCDLQCB-UHFFFAOYSA-N 0 3 428.602 4.152 50 0 IIAAHN COc1cccc([C@H]2CN(Cc3cccn3C)C[C@@H]2CN(CC(C)C)C(=O)C(C)C)c1 ZINC000034740315 555883253 /nfs/dbraw/zinc/88/32/53/555883253.db2.gz AATAXLOUXXIGDO-RCZVLFRGSA-N 0 3 425.617 4.390 50 0 IIAAHN O=C(NC1CCN(Cc2ccccc2)CC1)c1cnn2c1nccc2-c1ccccc1Cl ZINC000034786135 555896606 /nfs/dbraw/zinc/89/66/06/555896606.db2.gz XFZJDDQUGUJITL-UHFFFAOYSA-N 0 3 445.954 4.444 50 0 IIAAHN COc1ccc(COC[C@H](O)CN2CCC[C@H](c3nc4ccccc4s3)C2)cc1OC ZINC000034800854 555907878 /nfs/dbraw/zinc/90/78/78/555907878.db2.gz ZXDXTZCGQKIDNV-RBUKOAKNSA-N 0 3 442.581 4.071 50 0 IIAAHN O=C1C[C@@H](NCCc2c[nH]c3ccccc23)C(=O)N1c1ccc(Oc2ccccc2)cc1 ZINC000009043182 556242397 /nfs/dbraw/zinc/24/23/97/556242397.db2.gz PHXANQWWTGSHOR-XMMPIXPASA-N 0 3 425.488 4.424 50 0 IIAAHN Cc1cc(O[C@@H](C)C(=O)NC2CCN(Cc3ccccc3)CC2)c2c(C)c(C)c(=O)oc2c1 ZINC000009510596 556295776 /nfs/dbraw/zinc/29/57/76/556295776.db2.gz LWMAVQCSRNDZER-FQEVSTJZSA-N 0 3 448.563 4.266 50 0 IIAAHN O=C(NCc1ccccc1)[C@H]1CC12CCN(C(=O)c1ccc(CN3CCCCC3)cc1)CC2 ZINC000011838662 556363895 /nfs/dbraw/zinc/36/38/95/556363895.db2.gz XXZHKXJIKPCKAY-RUZDIDTESA-N 0 3 445.607 4.231 50 0 IIAAHN C[C@H](NC[C@H](c1cccs1)c1c[nH]c2ccccc21)C(=O)NCc1ccc2c(c1)OCO2 ZINC000014095870 556367520 /nfs/dbraw/zinc/36/75/20/556367520.db2.gz NFGOZURZMCJYTI-JXFKEZNVSA-N 0 3 447.560 4.385 50 0 IIAAHN C[C@@H](NC[C@@H](c1cccs1)c1c[nH]c2ccccc21)C(=O)NCc1ccc2c(c1)OCO2 ZINC000014095867 556367549 /nfs/dbraw/zinc/36/75/49/556367549.db2.gz NFGOZURZMCJYTI-OXQOHEQNSA-N 0 3 447.560 4.385 50 0 IIAAHN CCOC(=O)C1(CCOc2ccccc2)CCN(Cc2ccc(-n3cccn3)cc2)CC1 ZINC000011874814 556370581 /nfs/dbraw/zinc/37/05/81/556370581.db2.gz RSRXUSLWEIJRHA-UHFFFAOYSA-N 0 3 433.552 4.487 50 0 IIAAHN CCOc1ccc(CN2CCC[C@@H](c3ccnc(SCCN4CCCC4)n3)C2)cc1 ZINC000011978083 556383420 /nfs/dbraw/zinc/38/34/20/556383420.db2.gz KKUDQGXCWDKION-OAQYLSRUSA-N 0 3 426.630 4.443 50 0 IIAAHN Cc1ccc(C(=O)N(CCN(C)C)Cc2cc3cc4c(cc3nc2N(C)C)CCC4)cc1 ZINC000012025787 556387840 /nfs/dbraw/zinc/38/78/40/556387840.db2.gz ZZPVJQSROJMISD-UHFFFAOYSA-N 0 3 430.596 4.302 50 0 IIAAHN COC(=O)c1ccc(CN2CCC[C@@H](CCC(=O)Nc3cc(OC)cc(OC)c3)C2)cc1 ZINC000014958151 556463178 /nfs/dbraw/zinc/46/31/78/556463178.db2.gz BUDZVKWIAGJTOE-SFHVURJKSA-N 0 3 440.540 4.121 50 0 IIAAHN O=C(NCc1cccnc1)c1cc2cc(C3(O)CCN(Cc4ccsc4)CC3)ccc2o1 ZINC000014985881 556472603 /nfs/dbraw/zinc/47/26/03/556472603.db2.gz WXRUHXFVLKNFQI-UHFFFAOYSA-N 0 3 447.560 4.303 50 0 IIAAHN Cc1cc(C)n(CCNC(=O)COc2ccc(-c3cccs3)cc2CN2CCCC2)n1 ZINC000014989417 556474054 /nfs/dbraw/zinc/47/40/54/556474054.db2.gz MCYRHNIHRGQZSU-UHFFFAOYSA-N 0 3 438.597 4.019 50 0 IIAAHN COCCCN1C(=O)C(CC(=O)Nc2cccc3ccccc32)n2c3ccccc3nc21 ZINC000030937517 556515316 /nfs/dbraw/zinc/51/53/16/556515316.db2.gz UZUAIXFSFCSJJF-JOCHJYFZSA-N 0 3 428.492 4.143 50 0 IIAAHN COc1ccc(Cl)cc1NC(=O)[C@H]1C[C@H](C(C)C)N[C@]12C(=O)Nc1c2cccc1C ZINC000013593447 556531302 /nfs/dbraw/zinc/53/13/02/556531302.db2.gz KLOALZSYAOWGHZ-QZMQVMSPSA-N 0 3 427.932 4.077 50 0 IIAAHN CN(C[C@H]1CCN(Cc2ccccc2)C1)C(=O)c1csc(COc2ccc(F)cc2)n1 ZINC000072303678 556547824 /nfs/dbraw/zinc/54/78/24/556547824.db2.gz WEVFEZHVTPNGLS-LJQANCHMSA-N 0 3 439.556 4.455 50 0 IIAAHN O=C(c1ccc(CN2CCc3ccccc3C2)cc1)N1CCN(c2ccc(F)cc2)CC1 ZINC000015987994 556571497 /nfs/dbraw/zinc/57/14/97/556571497.db2.gz RHMCMTSHSSSXER-UHFFFAOYSA-N 0 3 429.539 4.346 50 0 IIAAHN CCOC(=O)c1ccn(-c2cccc(NC(=O)c3ccc(CN4CCCCC4)cc3)c2)n1 ZINC000032924344 556650960 /nfs/dbraw/zinc/65/09/60/556650960.db2.gz HAIQLWSAPCGFRP-UHFFFAOYSA-N 0 3 432.524 4.287 50 0 IIAAHN Cc1ccc(OC[C@@H]2c3ccsc3CCN2C(=O)CN(CCC(C)C)C[C@H](C)O)cc1 ZINC000248038860 556657852 /nfs/dbraw/zinc/65/78/52/556657852.db2.gz UFQXTZFKTJRBJN-NZQKXSOJSA-N 0 3 444.641 4.290 50 0 IIAAHN COc1ccc([C@@H]2[C@@H]3C(=O)N(c4cccc(Cl)c4)C([O-])=C3ON2c2ccccc2)cc1 ZINC000137753445 556698036 /nfs/dbraw/zinc/69/80/36/556698036.db2.gz IUBITZYLXRRGMJ-BHDDXSALSA-N 0 3 434.879 4.400 50 0 IIAAHN COc1ccc([C@@H]2[C@@H]3C(=O)N(c4cccc(Cl)c4)C(=O)C3ON2c2ccccc2)cc1 ZINC000137753445 556698037 /nfs/dbraw/zinc/69/80/37/556698037.db2.gz IUBITZYLXRRGMJ-BHDDXSALSA-N 0 3 434.879 4.400 50 0 IIAAHN CCN(CC(=O)NCCc1ccc(OC(F)F)cc1)[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000058078259 556756714 /nfs/dbraw/zinc/75/67/14/556756714.db2.gz GRNQZDWHNFCKSF-SIKLNZKXSA-N 0 3 445.554 4.104 50 0 IIAAHN CN(C)CCN(Cc1ccccc1)C(=O)Nc1cc(C(F)(F)F)ccc1-n1cccn1 ZINC000058130240 556760011 /nfs/dbraw/zinc/76/00/11/556760011.db2.gz BDCIXYKKDFEEGO-UHFFFAOYSA-N 0 3 431.462 4.487 50 0 IIAAHN CCCN(C(=O)C1CCN(C(=O)c2ccoc2)CC1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000058266721 556776787 /nfs/dbraw/zinc/77/67/87/556776787.db2.gz SPVGHTUDFXCZAG-XMMPIXPASA-N 0 3 437.584 4.035 50 0 IIAAHN CC[C@H](C)N(CCNC(=O)C1CCN(c2nc3ccccc3[nH]2)CC1)Cc1cccs1 ZINC000033071078 556851580 /nfs/dbraw/zinc/85/15/80/556851580.db2.gz HUMQFLCFRVQWKL-SFHVURJKSA-N 0 3 439.629 4.258 50 0 IIAAHN COc1ccc(NC(=O)CC2C(=O)N(CCc3ccccc3)c3nc4ccccc4n32)cc1 ZINC000019962159 556955902 /nfs/dbraw/zinc/95/59/02/556955902.db2.gz AUTCLEXXSUGBLU-QHCPKHFHSA-N 0 3 440.503 4.204 50 0 IIAAHN O=C(CC1C(=O)N(Cc2ccccn2)c2nc3ccccc3n21)Nc1ccc(F)c(Cl)c1 ZINC000020103561 556981090 /nfs/dbraw/zinc/98/10/90/556981090.db2.gz JXESKLPBBXPPHZ-HXUWFJFHSA-N 0 3 449.873 4.341 50 0 IIAAHN O=C(CC1C(=O)N(Cc2cccnc2)c2nc3ccccc3n21)Nc1ccccc1Cl ZINC000020103595 556981316 /nfs/dbraw/zinc/98/13/16/556981316.db2.gz WOLYPMALZPMXKH-HXUWFJFHSA-N 0 3 431.883 4.201 50 0 IIAAHN CSc1ccc(-c2ccc(C(=O)NCc3cccs3)c(N(C)CCN(C)C)n2)cc1 ZINC000020235430 557002387 /nfs/dbraw/zinc/00/23/87/557002387.db2.gz HGEPMFBKRARITN-UHFFFAOYSA-N 0 3 440.638 4.460 50 0 IIAAHN CC1CCN([C@H](CNC(=O)C2CCN(C(=O)c3cccs3)CC2)c2cccs2)CC1 ZINC000024987488 557186773 /nfs/dbraw/zinc/18/67/73/557186773.db2.gz RGENRJFACRMHBU-LJQANCHMSA-N 0 3 445.654 4.251 50 0 IIAAHN O=C(COc1ccccc1CNC[C@H](c1ccccc1Cl)N1CCCC1)N1CCCC1 ZINC000025358423 557205940 /nfs/dbraw/zinc/20/59/40/557205940.db2.gz KAVDHBQAABMJDZ-HSZRJFAPSA-N 0 3 442.003 4.268 50 0 IIAAHN COc1ccc(CCN(C)C[C@@H](O)COC(c2ccccc2)c2ccccc2)cc1OC ZINC000025357907 557206033 /nfs/dbraw/zinc/20/60/33/557206033.db2.gz DVUOZSWYDINZHG-XMMPIXPASA-N 0 3 435.564 4.345 50 0 IIAAHN COc1ccccc1[C@@H]1c2c(oc3cc(C)c(Cl)cc3c2=O)C(=O)N1CCCN(C)C ZINC000011614611 557209968 /nfs/dbraw/zinc/20/99/68/557209968.db2.gz SNNLRRZWKAUOJQ-OAQYLSRUSA-N 0 3 440.927 4.260 50 0 IIAAHN COc1ccc([C@@H](CNC(=O)c2cc(OC)c(OC)c(OC)c2)N2CCCCCC2)cc1 ZINC000027793758 557274397 /nfs/dbraw/zinc/27/43/97/557274397.db2.gz SQRUOTULCLASPN-OAQYLSRUSA-N 0 3 442.556 4.068 50 0 biogenic IIAAHN C[C@H](NCC(=O)Nc1ccc(CN2CCOCC2)cc1)c1ccc(-c2ccccc2)cc1 ZINC000014112742 557305190 /nfs/dbraw/zinc/30/51/90/557305190.db2.gz VZJDWRKGRFMLGB-NRFANRHFSA-N 0 3 429.564 4.475 50 0 IIAAHN CCCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2cccc(O)c2)cc1 ZINC000102734543 557372482 /nfs/dbraw/zinc/37/24/82/557372482.db2.gz QQENCQLIBAWUEO-TZRRMPRUSA-N 0 3 444.487 4.232 50 0 IIAAHN CCCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4cccc(O)c4)[C@H]3C2=O)cc1 ZINC000102734543 557372485 /nfs/dbraw/zinc/37/24/85/557372485.db2.gz QQENCQLIBAWUEO-TZRRMPRUSA-N 0 3 444.487 4.232 50 0 IIAAHN Cc1ccc(OC[C@H]2c3ccsc3CCN2C(=O)CN(CCC(C)C)C[C@H](C)O)cc1 ZINC000105003823 557470853 /nfs/dbraw/zinc/47/08/53/557470853.db2.gz UFQXTZFKTJRBJN-REWPJTCUSA-N 0 3 444.641 4.290 50 0 IIAAHN O=C1C2ON(c3ccccc3)[C@H](c3cccnc3)[C@@H]2C(=O)N1c1c(Cl)cccc1Cl ZINC000229995289 557835022 /nfs/dbraw/zinc/83/50/22/557835022.db2.gz ZXHZFLCORQNOFT-NLWGTHIKSA-N 0 3 440.286 4.440 50 0 IIAAHN O=C(NCc1ccccc1CN1CCCCC1)c1ccc(Cl)cc1N1CCCC1=O ZINC000007941503 562948718 /nfs/dbraw/zinc/94/87/18/562948718.db2.gz FHQPNFNMDVXYHM-UHFFFAOYSA-N 0 3 425.960 4.383 50 0 IIAAHN CCc1cc(=O)oc2cc(C)cc(O[C@H](C)C(=O)NC3CCN(Cc4ccccc4)CC3)c12 ZINC000009452584 562971392 /nfs/dbraw/zinc/97/13/92/562971392.db2.gz ZJCGUSVVNCQQED-LJQANCHMSA-N 0 3 448.563 4.212 50 0 IIAAHN COc1cc2nc(SCc3cccc(F)c3)n3c(nc(O)c3C(C)C)c2cc1OC ZINC000001399082 568785936 /nfs/dbraw/zinc/78/59/36/568785936.db2.gz JIBGAQKPUCEYOB-LJQANCHMSA-N 0 3 427.501 4.391 50 0 IIAAHN CN(CCCNC(=O)c1cnn(-c2ccc(F)cc2)c1-n1cccc1)Cc1ccccc1 ZINC000015681520 568806784 /nfs/dbraw/zinc/80/67/84/568806784.db2.gz KENRJKLTZCQHEB-UHFFFAOYSA-N 0 3 431.515 4.054 50 0 IIAAHN CCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4cccc(F)c4)[C@H]3C2=O)cc1 ZINC000245309965 568914632 /nfs/dbraw/zinc/91/46/32/568914632.db2.gz GLVBQKOMRGPEFT-DNVJHFABSA-N 0 3 432.451 4.276 50 0 IIAAHN CCc1ccc([C@H](CNC(=O)COc2ccc(C(=O)c3ccccc3)cc2)N(C)C)cc1 ZINC000089284784 568918209 /nfs/dbraw/zinc/91/82/09/568918209.db2.gz HDQLCRPZXDYECU-VWLOTQADSA-N 0 3 430.548 4.278 50 0 IIAAHN O=C(NC[C@@H]1CCCO1)C1CCN(Cc2cc3ccccc3n2Cc2ccc(F)cc2)CC1 ZINC000064666619 568942848 /nfs/dbraw/zinc/94/28/48/568942848.db2.gz SRKQWHHXEQFHCC-VWLOTQADSA-N 0 3 449.570 4.336 50 0 IIAAHN COc1ccccc1CNC(=O)C1CCN(Cc2cn(C)c3ccc(Cl)cc23)CC1 ZINC000064669765 568943404 /nfs/dbraw/zinc/94/34/04/568943404.db2.gz RIYANPPFYFOVIC-UHFFFAOYSA-N 0 3 425.960 4.369 50 0 IIAAHN CC(C)CCN(CC(=O)N1CCc2sccc2[C@@H]1COc1cccc(F)c1)C[C@H](C)O ZINC000036309686 568996397 /nfs/dbraw/zinc/99/63/97/568996397.db2.gz ZZBAMBKDMQAPGE-AVRDEDQJSA-N 0 3 448.604 4.121 50 0 IIAAHN COc1ccc(-c2noc3nc(C4CC4)cc(C(=O)N[C@@H](C)CN4CCCCC4)c32)cc1 ZINC000036618895 569124604 /nfs/dbraw/zinc/12/46/04/569124604.db2.gz PNOOURYKMCTJLI-INIZCTEOSA-N 0 3 434.540 4.380 50 0 IIAAHN CN(C(=O)[C@H]1CN(Cc2ccccc2)C[C@@H]1C(F)(F)F)c1ccc(-c2ccccc2)nn1 ZINC000170617686 569146912 /nfs/dbraw/zinc/14/69/12/569146912.db2.gz HTXWGUPEFBIFNJ-PMACEKPBSA-N 0 3 440.469 4.417 50 0 IIAAHN COc1cc2nc(SCc3ccc(F)cc3)n3c(nc(O)c3C(C)C)c2cc1OC ZINC000008873493 569291668 /nfs/dbraw/zinc/29/16/68/569291668.db2.gz LBXXQNGZYKAYOP-LJQANCHMSA-N 0 3 427.501 4.391 50 0 IIAAHN O=C(c1cc(Br)cnc1Cl)N1CCN(c2ccnc3ccccc32)CC1 ZINC000328591718 569317099 /nfs/dbraw/zinc/31/70/99/569317099.db2.gz ZPBWCJXXXTXUNU-UHFFFAOYSA-N 0 3 431.721 4.008 50 0 IIAAHN O=C(NC1CCN(Cc2ccccc2)CC1)c1ccc2c(c1)CC(=O)N2Cc1ccccc1 ZINC000096386225 569398375 /nfs/dbraw/zinc/39/83/75/569398375.db2.gz SJRPRIAMYNRXNH-UHFFFAOYSA-N 0 3 439.559 4.170 50 0 IIAAHN CCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccccc4F)[C@@H]3C2=O)cc1 ZINC000230037042 569418298 /nfs/dbraw/zinc/41/82/98/569418298.db2.gz ZPTSNQBCAKAQMC-YTFSRNRJSA-N 0 3 432.451 4.276 50 0 IIAAHN Cn1c(CCN2CCN(c3ccccc3)CC2)nc2cc(NC(=O)c3ccccc3)ccc21 ZINC000057264303 569430106 /nfs/dbraw/zinc/43/01/06/569430106.db2.gz RIZKBQKOWJALEE-UHFFFAOYSA-N 0 3 439.563 4.190 50 0 IIAAHN O=C(NC(=S)Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1)c1cccc(F)c1 ZINC000057251276 569430148 /nfs/dbraw/zinc/43/01/48/569430148.db2.gz UARJELVRJUJQGN-UHFFFAOYSA-N 0 3 448.567 4.275 50 0 IIAAHN CCOc1ccc(CNCc2cccn2-c2nnc(N3CCC(C)CC3)s2)cc1OC ZINC000009265759 569517381 /nfs/dbraw/zinc/51/73/81/569517381.db2.gz HAUIDCSKMZEFTJ-UHFFFAOYSA-N 0 3 441.601 4.262 50 0 IIAAHN CN(Cn1nc(-c2ccccc2F)n(CCc2ccccc2)c1=S)C1CCN(C)CC1 ZINC000009315694 569522165 /nfs/dbraw/zinc/52/21/65/569522165.db2.gz UVRQUARUQNSKAM-UHFFFAOYSA-N 0 3 439.604 4.446 50 0 IIAAHN COc1ccc(Cl)cc1NC(=O)[C@H]1C[C@H](C(C)C)N[C@]12C(=O)Nc1c2cc(C)cc1C ZINC000009430318 569533968 /nfs/dbraw/zinc/53/39/68/569533968.db2.gz XDCLCNKUFKDPJK-GGUMNFRJSA-N 0 3 441.959 4.386 50 0 IIAAHN CN(CCCNC(=O)[C@H]1c2ccccc2C(=O)N(C)[C@H]1c1cccs1)Cc1ccccc1 ZINC000009432378 569534393 /nfs/dbraw/zinc/53/43/93/569534393.db2.gz VRVVRZMLMVKKCY-ZEQRLZLVSA-N 0 3 447.604 4.297 50 0 IIAAHN CCc1ccc([C@@H](CNc2cnn(-c3nc4ccccc4[nH]3)c(=O)c2Cl)N(C)C)cc1 ZINC000009586547 569549648 /nfs/dbraw/zinc/54/96/48/569549648.db2.gz QXVWGLRVLKAJNC-HXUWFJFHSA-N 0 3 436.947 4.039 50 0 IIAAHN COc1ccc([C@@H](CNC(=O)c2cc(C3CC3)nc3c2cnn3C(C)C)N2CCCC2)cc1 ZINC000009712441 569562280 /nfs/dbraw/zinc/56/22/80/569562280.db2.gz SYZIKXOAWZSJDO-XMMPIXPASA-N 0 3 447.583 4.465 50 0 IIAAHN CCOC(=O)c1c(C)c(C(=O)Nc2ccc(C)cc2C)sc1NC(=O)CNC(C)(C)C ZINC000009762730 569566542 /nfs/dbraw/zinc/56/65/42/569566542.db2.gz GUKGHEVVALSZKW-UHFFFAOYSA-N 0 3 445.585 4.429 50 0 IIAAHN Cc1cc(NC(=O)C(=O)NC[C@H](c2cccc3ccccc32)N(C)C)c2ccccc2n1 ZINC000010333714 569581045 /nfs/dbraw/zinc/58/10/45/569581045.db2.gz WPVLUPCYWVEBMJ-XMMPIXPASA-N 0 3 426.520 4.054 50 0 IIAAHN CCOc1ccccc1N1CCN([C@@H]2CCC(=O)N(Cc3ccc(F)c(F)c3)CC2)CC1 ZINC000011786022 132339689 /nfs/dbraw/zinc/33/96/89/132339689.db2.gz UTVYESZSVZQEAC-HXUWFJFHSA-N 0 3 443.538 4.067 50 0 IIAAHN Brc1ccccc1CN1CCN(C2CCN(Cc3ccccc3)CC2)CC1 ZINC000022135431 518223594 /nfs/dbraw/zinc/22/35/94/518223594.db2.gz REKOEVOMKJJQFM-UHFFFAOYSA-N 0 3 428.418 4.231 50 0 IIAAHN CC(=O)Nc1ccc(-c2cc(C(=O)NCCN3CCCC[C@@H]3C)c3ccccc3n2)cc1 ZINC000021662895 519708013 /nfs/dbraw/zinc/70/80/13/519708013.db2.gz ZNMQVBXYWUCQRB-SFHVURJKSA-N 0 3 430.552 4.464 50 0 IIAAHN CCN1CCN(c2ccc(NC(=O)c3c4ccccc4nc4c3CN(CC)CC4)cc2)CC1 ZINC000012515899 521699164 /nfs/dbraw/zinc/69/91/64/521699164.db2.gz UQQSDWCKEDSXPC-UHFFFAOYSA-N 0 3 443.595 4.007 50 0 IIAAHN CCc1cccc2c([C@H](CC(=O)NCCN3CCCC3)c3ccc4c(c3)OCO4)c[nH]c21 ZINC000035888931 521795818 /nfs/dbraw/zinc/79/58/18/521795818.db2.gz FFHWVASZEMNSPS-OAQYLSRUSA-N 0 3 433.552 4.193 50 0 IIAAHN COC(=O)c1ccc(CN2CCC(C(=O)Nc3cccc(-c4cscn4)c3)CC2)cc1 ZINC000012596433 522006078 /nfs/dbraw/zinc/00/60/78/522006078.db2.gz CHKIXBDGFYQSHP-UHFFFAOYSA-N 0 3 435.549 4.447 50 0 IIAAHN CN(C[C@@H]1CCCCO1)C(=O)c1ccc(OC2CCN(CCc3ccccc3)CC2)cc1 ZINC000012586223 523032718 /nfs/dbraw/zinc/03/27/18/523032718.db2.gz IOAYDVDREFLQSZ-SANMLTNESA-N 0 3 436.596 4.414 50 0 IIAAHN COc1ccc(-n2cc(C(=O)N3CCN(C4CCCCC4)CC3)c3ccccc3c2=O)cc1 ZINC000020508850 523327434 /nfs/dbraw/zinc/32/74/34/523327434.db2.gz JEYLAWJMPMUSSR-UHFFFAOYSA-N 0 3 445.563 4.090 50 0 IIAAHN COc1ccc(C(=O)Nc2ccnn2C2CCN([C@H](C)COc3ccccc3)CC2)cc1 ZINC000012590071 523760970 /nfs/dbraw/zinc/76/09/70/523760970.db2.gz PBYRGRLCYRZIMU-LJQANCHMSA-N 0 3 434.540 4.248 50 0 IIAAHN COc1ccc(CN(Cc2cc(=O)n3ccsc3n2)[C@H](C)Cc2cccs2)cc1 ZINC000023054971 524013520 /nfs/dbraw/zinc/01/35/20/524013520.db2.gz NHBKYTXTCILRRQ-MRXNPFEDSA-N 0 3 425.579 4.460 50 0 IIAAHN Cc1cc(C)n(Cc2cccc(C(=O)N(C)[C@H]3CCCN(C4Cc5ccccc5C4)C3)c2)n1 ZINC000012756003 524540331 /nfs/dbraw/zinc/54/03/31/524540331.db2.gz GHMWHOMYKKYLSI-SANMLTNESA-N 0 3 442.607 4.252 50 0 IIAAHN C[C@@H](NCC(=O)Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1)c1cccs1 ZINC000012533927 525410881 /nfs/dbraw/zinc/41/08/81/525410881.db2.gz UXSVFQVYIFBDJO-HXUWFJFHSA-N 0 3 434.609 4.360 50 0 IIAAHN COc1cccc(CN2CCC(n3nccc3NC(=O)[C@H](OC)c3ccccc3)CC2)c1 ZINC000012715526 525936013 /nfs/dbraw/zinc/93/60/13/525936013.db2.gz IFHRQSQMXRXCHB-XMMPIXPASA-N 0 3 434.540 4.055 50 0 IIAAHN O=C(CCOc1ccccc1)Nc1ccnn1C1CCN(Cc2ccc3c(c2)CCO3)CC1 ZINC000012582472 526532352 /nfs/dbraw/zinc/53/23/52/526532352.db2.gz OUFKMJFDQOILCZ-UHFFFAOYSA-N 0 3 446.551 4.063 50 0 IIAAHN Cc1sc2nc(CSc3ccccc3)nc(N3CCN(CCN(C)C)CC3)c2c1C ZINC000022782795 526893983 /nfs/dbraw/zinc/89/39/83/526893983.db2.gz MFYDMNJLIAAWOY-UHFFFAOYSA-N 0 3 441.670 4.284 50 0 IIAAHN COCCN(C[C@@H]1CN(Cc2cc(C)c(C)o2)C[C@H]1c1cccc(F)c1)C(=O)C(C)C ZINC000034740507 555883651 /nfs/dbraw/zinc/88/36/51/555883651.db2.gz PEYPYEUNCXYNSV-URXFXBBRSA-N 0 3 430.564 4.382 50 0 IIAAHN COc1ccc(C2=NN3[C@@H](C2)c2cc(Br)ccc2OC32CCN(C)CC2)cc1 ZINC000008717684 556202456 /nfs/dbraw/zinc/20/24/56/556202456.db2.gz BJPYVAWHEINQAO-FQEVSTJZSA-N 0 3 442.357 4.423 50 0 IIAAHN COc1ccc(-c2ccc(CNCCSc3nnnn3-c3ccccc3)o2)cc1Cl ZINC000008767536 556212658 /nfs/dbraw/zinc/21/26/58/556212658.db2.gz WDJQQLHGWXIXPY-UHFFFAOYSA-N 0 3 441.944 4.466 50 0 IIAAHN O=C(NC1CCN(C[C@H](O)COc2ccc(Oc3ccccc3)cc2)CC1)c1ccccc1 ZINC000011507049 556341244 /nfs/dbraw/zinc/34/12/44/556341244.db2.gz PYETYOQNAOTSEZ-QHCPKHFHSA-N 0 3 446.547 4.113 50 0 IIAAHN CCCCc1ncc(CN2CCC[C@@H](CNC(=O)C3(c4ccc(Cl)cc4)CC3)C2)[nH]1 ZINC000011664845 556345689 /nfs/dbraw/zinc/34/56/89/556345689.db2.gz WLORZLFPILEHQQ-SFHVURJKSA-N 0 3 429.008 4.466 50 0 IIAAHN COc1ccc(C(=O)N2CCCC2)c(OC2CCN([C@H](C)Cc3ccc(C)cn3)CC2)c1 ZINC000011753545 556348807 /nfs/dbraw/zinc/34/88/07/556348807.db2.gz NBMRYEGKEKKCRZ-HXUWFJFHSA-N 0 3 437.584 4.109 50 0 IIAAHN COc1ccc(CN2CCC(n3nccc3NC(=O)c3ccc4c(c3)OCO4)CC2)cc1C ZINC000011761589 556349269 /nfs/dbraw/zinc/34/92/69/556349269.db2.gz GPCVVOWIYPIBDE-UHFFFAOYSA-N 0 3 448.523 4.018 50 0 IIAAHN O=C(CC[C@@H]1CCCN(CCCC(F)(F)F)C1)N1CCN(Cc2ccccc2)CC1 ZINC000011874440 556370753 /nfs/dbraw/zinc/37/07/53/556370753.db2.gz JTUCQPXOAUHTQE-NRFANRHFSA-N 0 3 425.539 4.166 50 0 IIAAHN Cc1cccc(-n2ncc3c2CCC[C@@H]3NCc2cn(CC(N)=O)c3ccccc23)c1C ZINC000011938080 556379597 /nfs/dbraw/zinc/37/95/97/556379597.db2.gz LISKTHGLIAROMH-QFIPXVFZSA-N 0 3 427.552 4.096 50 0 IIAAHN CCOc1ccc(CN2CCC[C@H](c3ccnc(SCCN4CCCC4)n3)C2)cc1 ZINC000011978097 556383559 /nfs/dbraw/zinc/38/35/59/556383559.db2.gz KKUDQGXCWDKION-NRFANRHFSA-N 0 3 426.630 4.443 50 0 IIAAHN CCCCOc1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCCN(C)C)cc1 ZINC000032622759 556409961 /nfs/dbraw/zinc/40/99/61/556409961.db2.gz JNJYXJIYALXMPZ-QHCPKHFHSA-N 0 3 434.536 4.469 50 0 IIAAHN CN(C)[C@@H](CNC(=O)c1cc(-c2ccc3c(c2)OCCO3)on1)c1ccc(C(C)(C)C)cc1 ZINC000032623530 556410659 /nfs/dbraw/zinc/41/06/59/556410659.db2.gz KCEUGTJNSBRYKI-NRFANRHFSA-N 0 3 449.551 4.443 50 0 IIAAHN CN1C(=O)N(Cc2ccccc2)C(=O)C12CCN(Cc1ccccc1C(F)(F)F)CC2 ZINC000014732783 556437240 /nfs/dbraw/zinc/43/72/40/556437240.db2.gz NMAGUGYLBQJDOE-UHFFFAOYSA-N 0 3 431.458 4.134 50 0 IIAAHN O=C(CC[C@H]1CCCN(Cc2cccn2-c2ncccn2)C1)NCc1ccccc1Cl ZINC000014954689 556461887 /nfs/dbraw/zinc/46/18/87/556461887.db2.gz IJCLZTCTVKBOCS-LJQANCHMSA-N 0 3 437.975 4.229 50 0 IIAAHN O=c1c(CNC[C@@H]2COc3ccccc3O2)cc2ccc(Cl)cc2n1Cc1ccccn1 ZINC000015001439 556479793 /nfs/dbraw/zinc/47/97/93/556479793.db2.gz OAHTUAVYEYWAEO-OAQYLSRUSA-N 0 3 447.922 4.028 50 0 IIAAHN CCc1ccc(CN2CCC(Oc3ccc(C(=O)NCCOC)cc3Cl)CC2)cc1 ZINC000015064675 556492130 /nfs/dbraw/zinc/49/21/30/556492130.db2.gz OEXOIVYMSIPJMW-UHFFFAOYSA-N 0 3 430.976 4.322 50 0 IIAAHN COc1cccc(CNCCCN2CCOCC2)c1OCc1ccc(Cl)cc1Cl ZINC000013566315 556519226 /nfs/dbraw/zinc/51/92/26/556519226.db2.gz SSABONRHLVTVCY-UHFFFAOYSA-N 0 3 439.383 4.393 50 0 IIAAHN CC(C)[C@H](NC(=O)Nc1ccccc1)C(=O)NC[C@H](c1cccs1)N1CCC(C)CC1 ZINC000032983102 556601452 /nfs/dbraw/zinc/60/14/52/556601452.db2.gz QPPOJLPOHJSDFK-IRLDBZIGSA-N 0 3 442.629 4.484 50 0 IIAAHN COc1ccc(S(=O)(=O)NC[C@H]2CCCN(Cc3ccc(-c4ccco4)cc3)C2)cc1 ZINC000039500891 556629431 /nfs/dbraw/zinc/62/94/31/556629431.db2.gz BPCOJDDCLWDQJL-HXUWFJFHSA-N 0 3 440.565 4.146 50 0 IIAAHN COc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(Cl)cc4)C([O-])=C3ON2c2ccccc2)cc1 ZINC000137710731 556698094 /nfs/dbraw/zinc/69/80/94/556698094.db2.gz OJWSVBCPLATMAB-BHDDXSALSA-N 0 3 434.879 4.400 50 0 IIAAHN COc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)C3ON2c2ccccc2)cc1 ZINC000137710731 556698097 /nfs/dbraw/zinc/69/80/97/556698097.db2.gz OJWSVBCPLATMAB-BHDDXSALSA-N 0 3 434.879 4.400 50 0 IIAAHN COc1ccc(C(=O)[C@@H]2CCCN(C3CCN(CCc4ccccc4)CC3)C2)c(OC)c1 ZINC000019229318 556718184 /nfs/dbraw/zinc/71/81/84/556718184.db2.gz QORUNDRZDQDJBS-JOCHJYFZSA-N 0 3 436.596 4.306 50 0 IIAAHN COc1cc(C(=O)NC[C@@H](c2ccc(C)cc2)N(C)C)ccc1OCc1c(C)noc1C ZINC000058157758 556763250 /nfs/dbraw/zinc/76/32/50/556763250.db2.gz FVFVUGHEPITKDE-QFIPXVFZSA-N 0 3 437.540 4.220 50 0 IIAAHN COc1cccc(Cn2c(=O)c(CN(C)C[C@H](O)c3ccccc3)cc3ccc(F)cc32)c1 ZINC000019798703 556916740 /nfs/dbraw/zinc/91/67/40/556916740.db2.gz VACKITAKGWWKLE-SANMLTNESA-N 0 3 446.522 4.363 50 0 IIAAHN O=C(CC1C(=O)N(Cc2cccnc2)c2nc3ccccc3n21)Nc1ccc(Cl)cc1 ZINC000019962104 556955571 /nfs/dbraw/zinc/95/55/71/556955571.db2.gz VDXYJNLUSSIZCG-HXUWFJFHSA-N 0 3 431.883 4.201 50 0 IIAAHN COCCCN1C(=O)C(CC(=O)Nc2ccc(Cl)cc2Cl)n2c3ccccc3nc21 ZINC000020103468 556981042 /nfs/dbraw/zinc/98/10/42/556981042.db2.gz POGNQIOBAVDRMX-SFHVURJKSA-N 0 3 447.322 4.296 50 0 IIAAHN CC1CCN(CCNC(=O)c2cccc(-c3ccc(NCc4ccccc4)nn3)c2)CC1 ZINC000033272232 557050979 /nfs/dbraw/zinc/05/09/79/557050979.db2.gz UZGXAMXAGCUMOC-UHFFFAOYSA-N 0 3 429.568 4.217 50 0 IIAAHN CCOC(=O)[C@@H]1CCCN(C(=O)C2CCN(Cc3ccc(-c4ccccc4)cc3)CC2)C1 ZINC000023157257 557070209 /nfs/dbraw/zinc/07/02/09/557070209.db2.gz GSXINCIKIAVPPE-RUZDIDTESA-N 0 3 434.580 4.367 50 0 IIAAHN Cc1ccc(NC(=O)CC2C(=O)N(C[C@H]3CCCO3)c3nc4ccccc4n32)cc1Cl ZINC000023382234 557089524 /nfs/dbraw/zinc/08/95/24/557089524.db2.gz SWQXAVPISJUWDA-OXQOHEQNSA-N 0 3 438.915 4.094 50 0 IIAAHN Cc1ccc(Cl)cc1NC(=O)CC1C(=O)N(C[C@H]2CCCO2)c2nc3ccccc3n21 ZINC000023382259 557089592 /nfs/dbraw/zinc/08/95/92/557089592.db2.gz PARDREORWNDVNY-UZLBHIALSA-N 0 3 438.915 4.094 50 0 IIAAHN Cc1ccc2nc(COc3ccc(C(=O)NC[C@@H](c4ccccc4)N(C)C)cc3)cn2c1 ZINC000011595233 557206887 /nfs/dbraw/zinc/20/68/87/557206887.db2.gz GNWLMOQYTZEVPK-DEOSSOPVSA-N 0 3 428.536 4.254 50 0 IIAAHN CCOC(=O)c1c2cc(OC(C)=O)c(Br)cc2n(C)c1CNc1ccncc1 ZINC000018325287 557388638 /nfs/dbraw/zinc/38/86/38/557388638.db2.gz ZSALCMOMVOKONW-UHFFFAOYSA-N 0 3 446.301 4.050 50 0 IIAAHN O=C(NC[C@@H](c1ccccc1)N1CCCCCC1)c1cn(CCCc2ccccc2)nn1 ZINC000012075933 557526979 /nfs/dbraw/zinc/52/69/79/557526979.db2.gz MPPXVCNKQMOGNE-VWLOTQADSA-N 0 3 431.584 4.258 50 0 IIAAHN COc1ccc2sc(N(Cc3cccnc3)C(=O)C3COc4ccccc4O3)nc2c1 ZINC000008601587 562955423 /nfs/dbraw/zinc/95/54/23/562955423.db2.gz ZPKBFECDTWNDDG-FQEVSTJZSA-N 0 3 433.489 4.073 50 0 IIAAHN CCCc1cc(=O)oc2c(C)c(OCC(=O)NC3CCN(Cc4ccccc4)CC3)ccc12 ZINC000009487454 562971857 /nfs/dbraw/zinc/97/18/57/562971857.db2.gz RESAGEHBECDWQL-UHFFFAOYSA-N 0 3 448.563 4.214 50 0 IIAAHN CCOc1cccc(CN2CCC(Oc3ccc(C(=O)NCc4ccccn4)cc3)CC2)c1 ZINC000011933225 562979757 /nfs/dbraw/zinc/97/97/57/562979757.db2.gz MJWZVLBTODKFRG-UHFFFAOYSA-N 0 3 445.563 4.454 50 0 IIAAHN CN(C)CCN(C[C@@H]1CCCN(Cc2ccccc2F)C1)C(=O)c1ccc(Cl)cc1 ZINC000012725724 562983001 /nfs/dbraw/zinc/98/30/01/562983001.db2.gz UCIMUKXLDLVTCK-LJQANCHMSA-N 0 3 431.983 4.395 50 0 IIAAHN CCCC1=Nc2cc(C(=O)NCCCN3CCN(C)CC3)ccc2Sc2ccccc21 ZINC000020178855 563023897 /nfs/dbraw/zinc/02/38/97/563023897.db2.gz YKEKLULEMZJKHG-UHFFFAOYSA-N 0 3 436.625 4.439 50 0 IIAAHN O=C(/C=C\c1cn(-c2ccccc2)nc1-c1ccccc1)N1CCN(c2ccncc2)CC1 ZINC000064600056 563156610 /nfs/dbraw/zinc/15/66/10/563156610.db2.gz LDCUONMTARKGPU-QXMHVHEDSA-N 0 3 435.531 4.296 50 0 IIAAHN c1ccc(N2CCN([C@H]3CCCN(Cc4ccc(Oc5ncccn5)cc4)C3)CC2)cc1 ZINC000023373226 568613936 /nfs/dbraw/zinc/61/39/36/568613936.db2.gz DHMCRMMPHLXVOL-DEOSSOPVSA-N 0 3 429.568 4.056 50 0 IIAAHN CN(Cc1ccc(OCCNC(=O)[C@@H]2CCCCN2C)cc1)Cc1cccc2ccccc21 ZINC000299800957 568757964 /nfs/dbraw/zinc/75/79/64/568757964.db2.gz UEAYSDLOLFPWIB-MHZLTWQESA-N 0 3 445.607 4.451 50 0 IIAAHN Cc1cc2c(cc1S(=O)(=O)NCCCN1CCCCCC1)[nH]c1c2C(=O)CC(C)(C)C1 ZINC000015733767 568816125 /nfs/dbraw/zinc/81/61/25/568816125.db2.gz LPDCRZDWXDJPHO-UHFFFAOYSA-N 0 3 445.629 4.176 50 0 IIAAHN O=C(Nc1cccc(CN2CCCC2)c1)[C@H]1Cc2ccccc2N1C(=O)c1ccccc1 ZINC000015774138 568823091 /nfs/dbraw/zinc/82/30/91/568823091.db2.gz KXQWBFKITDMZOE-RUZDIDTESA-N 0 3 425.532 4.493 50 0 IIAAHN COc1ccc(-c2nn3c(c2C)NC(=O)C3CC(=O)Nc2cccc(C(F)(F)F)c2)cc1 ZINC000090594464 568889127 /nfs/dbraw/zinc/88/91/27/568889127.db2.gz SJIUJMSORSQYSR-QGZVFWFLSA-N 0 3 444.413 4.408 50 0 IIAAHN Cc1nn(-c2ccccc2)nc1C(=O)NCc1ccccc1-c1ccc(CN(C)C)cc1 ZINC000013003298 568898544 /nfs/dbraw/zinc/89/85/44/568898544.db2.gz AANSLJMIPYTANL-UHFFFAOYSA-N 0 3 425.536 4.234 50 0 IIAAHN CCc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4cccc(OC)c4)[C@@H]3C2=O)cc1 ZINC000137336300 568909113 /nfs/dbraw/zinc/90/91/13/568909113.db2.gz ZOJIDIFKCOZITF-KMDXXIMOSA-N 0 3 428.488 4.309 50 0 IIAAHN COc1ccc2c(c1)c(CN1CCC(C(=O)NCc3ccccc3Cl)CC1)cn2C ZINC000064669646 568943543 /nfs/dbraw/zinc/94/35/43/568943543.db2.gz PWKMUUUAGJKRII-UHFFFAOYSA-N 0 3 425.960 4.369 50 0 IIAAHN CCN(CC)c1onc(-c2ccccc2)c1CN(C[C@H](O)COCC(C)C)CC1CC1 ZINC000036246100 568981684 /nfs/dbraw/zinc/98/16/84/568981684.db2.gz YTQUCTZODGXUKQ-QFIPXVFZSA-N 0 3 429.605 4.433 50 0 IIAAHN O=C(CN1CCC(Cn2cnc3ccccc32)CC1)N1CCC(Cc2ccccc2)CC1 ZINC000036708867 569136170 /nfs/dbraw/zinc/13/61/70/569136170.db2.gz XLKARXMVQUQBJO-UHFFFAOYSA-N 0 3 430.596 4.230 50 0 IIAAHN CCCCn1c(SCCCN2CCN(C(C)C)CC2)nc2sc(C)c(C)c2c1=O ZINC000170605475 569143729 /nfs/dbraw/zinc/14/37/29/569143729.db2.gz MUMHQFMAYNIIGS-UHFFFAOYSA-N 0 3 436.691 4.383 50 0 IIAAHN Fc1ccccc1[C@H](c1nc(-c2cccc(CN3CCCCC3)c2)no1)N1CCOCC1 ZINC000170606742 569144454 /nfs/dbraw/zinc/14/44/54/569144454.db2.gz VADRVJONMHBEOQ-HSZRJFAPSA-N 0 3 436.531 4.283 50 0 IIAAHN Cc1ccnc(NC(=O)C2CCN(C[C@H](O)COc3ccc(-c4ccccc4)cc3)CC2)c1 ZINC000071819466 569154694 /nfs/dbraw/zinc/15/46/94/569154694.db2.gz YCWAAQOZWDSDRD-DEOSSOPVSA-N 0 3 445.563 4.147 50 0 IIAAHN CCN(CC)[C@H](CNC(=O)CSc1nc(Cc2ccccc2)c(C)[nH]1)c1ccco1 ZINC000089967807 569169241 /nfs/dbraw/zinc/16/92/41/569169241.db2.gz MDRBZFLSTZOLCS-HXUWFJFHSA-N 0 3 426.586 4.193 50 0 IIAAHN Nc1c2c(nn1-c1cccc(F)c1)nc(NCCN1CCCCC1)nc2-c1cccc(F)c1 ZINC000037361160 569181582 /nfs/dbraw/zinc/18/15/82/569181582.db2.gz CUTMLMRKKFJWKY-UHFFFAOYSA-N 0 3 449.509 4.241 50 0 IIAAHN CN(C)Cc1cccc(NC(=O)C[C@H](c2ccc(Cl)c(Cl)c2)N2CCOCC2)c1 ZINC000253420249 569266845 /nfs/dbraw/zinc/26/68/45/569266845.db2.gz GKGWHKXKKVJIFU-OAQYLSRUSA-N 0 3 436.383 4.457 50 0 IIAAHN O=C1C2ON(c3ccccc3)[C@@H](c3ccncc3)[C@@H]2C(=O)N1c1ccc(Cl)c(Cl)c1 ZINC000002409309 569300479 /nfs/dbraw/zinc/30/04/79/569300479.db2.gz GIIMJJMIHWGLSE-SLFFLAALSA-N 0 3 440.286 4.440 50 0 IIAAHN O=C(COc1ccc(C(=O)c2ccccc2)cc1)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000013095709 569309495 /nfs/dbraw/zinc/30/94/95/569309495.db2.gz CERZXCAKZXUZOP-VWLOTQADSA-N 0 3 428.532 4.250 50 0 IIAAHN O=C(CN1C(=O)/C(=C\c2cccc(Cl)c2)Sc2ccccc21)NCCN1CCCC1 ZINC000020181084 569355231 /nfs/dbraw/zinc/35/52/31/569355231.db2.gz FKMKANJAJAWHRN-RCCKNPSSSA-N 0 3 441.984 4.032 50 0 IIAAHN CCN(C(=O)Nc1cccn(Cc2ccc(F)cc2)c1=O)[C@H]1CCN(Cc2ccccc2)C1 ZINC000095942682 569375551 /nfs/dbraw/zinc/37/55/51/569375551.db2.gz OIKVKTRDLRYAOV-QHCPKHFHSA-N 0 3 448.542 4.164 50 0 IIAAHN COc1ccc(OC)c(-c2cc(CN(CCN(C)C)C(=O)c3ccccc3Cl)no2)c1 ZINC000096210700 569386497 /nfs/dbraw/zinc/38/64/97/569386497.db2.gz BBQRYYQWGSWDKN-UHFFFAOYSA-N 0 3 443.931 4.216 50 0 IIAAHN CC(=O)[C@@H]1C(C(=O)c2cccs2)[C@]2(C(=O)Nc3ccccc32)[C@@H]2C=Cc3ccccc3N21 ZINC000008964528 569491308 /nfs/dbraw/zinc/49/13/08/569491308.db2.gz QJDCMTKAGGWMJW-NZCWTCFWSA-N 0 3 440.524 4.310 50 0 biogenic IIAAHN CCN1CCC2(CC1)Oc1ccc(Br)cc1[C@H]1CC(c3ccccn3)=NN12 ZINC000008970777 569492018 /nfs/dbraw/zinc/49/20/18/569492018.db2.gz GWNVRXFRJMDRCS-LJQANCHMSA-N 0 3 427.346 4.200 50 0 IIAAHN COc1ccc(NC(=O)[C@H]2C[C@H](C(C)C)N[C@]23C(=O)Nc2c3cc(Cl)cc2C)cc1 ZINC000009129836 569505864 /nfs/dbraw/zinc/50/58/64/569505864.db2.gz DFDUFODJJWIFOE-PWHSHALESA-N 0 3 427.932 4.077 50 0 IIAAHN CCN1CCc2c(sc(-n3cccc3)c2CNC(=O)Nc2cc(OC)ccc2OC)C1 ZINC000009151108 569507383 /nfs/dbraw/zinc/50/73/83/569507383.db2.gz YLROMNCXLUWCPC-UHFFFAOYSA-N 0 3 440.569 4.256 50 0 IIAAHN CCN1CCc2c(sc(-n3cccc3)c2CNC(=O)Nc2ccc(OC)cc2OC)C1 ZINC000009151124 569507449 /nfs/dbraw/zinc/50/74/49/569507449.db2.gz SPBKNQOVPGGSKT-UHFFFAOYSA-N 0 3 440.569 4.256 50 0 IIAAHN CCN(CC)CCN1C(=O)c2oc3cc(C)c(C)cc3c(=O)c2[C@@H]1c1ccc(OC)cc1 ZINC000009328299 569522812 /nfs/dbraw/zinc/52/28/12/569522812.db2.gz AFPGJXKBBFKVIW-QHCPKHFHSA-N 0 3 434.536 4.305 50 0 IIAAHN COc1ccc(-c2oc3ncn(CCCN(C)C)c(=N)c3c2-c2ccc(OC)cc2)cc1 ZINC000009486117 569539600 /nfs/dbraw/zinc/53/96/00/569539600.db2.gz VAGXIEALFQVKEF-UHFFFAOYSA-N 0 3 432.524 4.412 50 0 IIAAHN COc1ccc([C@@H]2CN(Cc3ccccn3)C[C@@H]2CN(Cc2ccc(F)cc2)C(C)=O)cc1 ZINC000169679307 569587298 /nfs/dbraw/zinc/58/72/98/569587298.db2.gz HEIHNEJRGMHETE-KCWPFWIISA-N 0 3 447.554 4.494 50 0 IIAAHN CCN1CCN(c2ccc(NC(=O)COc3c(C)cc(C)cc3Br)cc2)CC1 ZINC000009426147 132316690 /nfs/dbraw/zinc/31/66/90/132316690.db2.gz SGXURIBJGMLNDY-UHFFFAOYSA-N 0 3 446.389 4.225 50 0 IIAAHN O=S(=O)([N-]c1ccc(N2CCC([NH2+]CCc3cccs3)CC2)cc1)c1ccccc1 ZINC000011785335 132339699 /nfs/dbraw/zinc/33/96/99/132339699.db2.gz JDYMYXOEAVSTKF-UHFFFAOYSA-N 0 3 441.622 4.350 50 0 IIAAHN COc1ccc(-c2n[nH]cc2CN2CCC(n3nccc3NC(=O)C(C)(C)C)CC2)cc1 ZINC000012304779 523183714 /nfs/dbraw/zinc/18/37/14/523183714.db2.gz ITOACSWPUHSDBE-UHFFFAOYSA-N 0 3 436.560 4.104 50 0 IIAAHN COCCNC(=O)c1ccc(OC2CCN(Cc3cc(C)c(O)c(C)c3)CC2)c(Cl)c1 ZINC000012581206 523925961 /nfs/dbraw/zinc/92/59/61/523925961.db2.gz JVDSZTQUVRWGPU-UHFFFAOYSA-N 0 3 446.975 4.082 50 0 IIAAHN COCCNC(=O)c1ccc(OC)cc1OC1CCN(CC[C@@H](C)c2ccc(C)o2)CC1 ZINC000012300613 523925991 /nfs/dbraw/zinc/92/59/91/523925991.db2.gz WHJGOUDAZZXEBO-GOSISDBHSA-N 0 3 444.572 4.010 50 0 IIAAHN COc1ccc(CN(C)Cc2ccsc2)cc1OC[C@H](O)CN(C)Cc1ccccc1 ZINC000012703875 524006438 /nfs/dbraw/zinc/00/64/38/524006438.db2.gz YWMBIIZZZGLBMV-HSZRJFAPSA-N 0 3 440.609 4.260 50 0 IIAAHN COc1ccc(CN2CCC[C@@H](CCC(=O)NCc3ccc(OC)cc3OC)C2)cc1 ZINC000012465074 524027980 /nfs/dbraw/zinc/02/79/80/524027980.db2.gz MJPRLFSUKLTXAY-IBGZPJMESA-N 0 3 426.557 4.021 50 0 IIAAHN CCc1ccc([C@H](CNC(=O)[C@H](NC(=O)c2ccccc2Cl)C(C)C)N(C)C)cc1 ZINC000012778063 524048761 /nfs/dbraw/zinc/04/87/61/524048761.db2.gz DHQBEAIENRRPST-FCHUYYIVSA-N 0 3 429.992 4.076 50 0 IIAAHN COc1ccc(CSc2nc3cc(OC)c(OC)cc3c3nc(O)c(C(C)C)n32)cc1 ZINC000012856213 524123965 /nfs/dbraw/zinc/12/39/65/524123965.db2.gz VDRLEEOGZPBLDQ-HXUWFJFHSA-N 0 3 439.537 4.260 50 0 IIAAHN Cc1cccc(CNC(=O)c2ccc(OC3CCN(CCc4ccccc4)CC3)cc2)n1 ZINC000012297811 524427363 /nfs/dbraw/zinc/42/73/63/524427363.db2.gz PMCQFZYRKUCHSJ-UHFFFAOYSA-N 0 3 429.564 4.406 50 0 IIAAHN Cc1ccccc1CN(C(=O)C1CCCC1)c1ccc(CC(=O)NCCN2CCCC2)cc1 ZINC000034679741 525118571 /nfs/dbraw/zinc/11/85/71/525118571.db2.gz BBBOEQBKCJOLOE-UHFFFAOYSA-N 0 3 447.623 4.473 50 0 IIAAHN C[C@H](NC[C@@H](c1c[nH]c2ccccc21)c1ccccc1)C(=O)NCc1ccc2c(c1)OCO2 ZINC000012862749 525383690 /nfs/dbraw/zinc/38/36/90/525383690.db2.gz GVUBDKKNTWIWLF-PGRDOPGGSA-N 0 3 441.531 4.323 50 0 IIAAHN COc1cccc(-c2nn(-c3ccccc3)cc2CN2CCC(C(=O)N3CCCC3)CC2)c1 ZINC000012459645 525729200 /nfs/dbraw/zinc/72/92/00/525729200.db2.gz NJWGUYUSPDOCPP-UHFFFAOYSA-N 0 3 444.579 4.382 50 0 IIAAHN O=C(CC[C@@H]1CCCN(Cc2ccc(OCCO)cc2)C1)NCc1ccccc1Cl ZINC000012372934 526554687 /nfs/dbraw/zinc/55/46/87/526554687.db2.gz BFVYXCFFXCZCCD-IBGZPJMESA-N 0 3 430.976 4.020 50 0 IIAAHN O=C1N(CCc2ccccc2)C[C@@H]2C[C@@H](c3ccc(Oc4ncccn4)cc3)N3CCC[C@@]123 ZINC000012301805 527037958 /nfs/dbraw/zinc/03/79/58/527037958.db2.gz QAUJFGLWZANEKF-DPPGTGKWSA-N 0 3 440.547 4.249 50 0 IIAAHN CCOc1ccc(CN2CCC(n3nccc3NC(=O)c3ccccc3OC)CC2)cc1 ZINC000011753598 556348777 /nfs/dbraw/zinc/34/87/77/556348777.db2.gz ILEJGZJMOPTASS-UHFFFAOYSA-N 0 3 434.540 4.380 50 0 IIAAHN CCOc1cccc(CN2CCC(n3nccc3NC(=O)[C@H](OC)c3ccccc3)CC2)c1 ZINC000011844021 556367016 /nfs/dbraw/zinc/36/70/16/556367016.db2.gz RFXLYYHMPUWNTQ-RUZDIDTESA-N 0 3 448.567 4.445 50 0 IIAAHN CCN(CC)C(=O)[C@H]1CCCN(Cc2ccc3c(c2)CN(Cc2ccsc2)CCO3)C1 ZINC000012001482 556385881 /nfs/dbraw/zinc/38/58/81/556385881.db2.gz KFBHKTZFZDYYFR-QFIPXVFZSA-N 0 3 441.641 4.223 50 0 IIAAHN CC(C)[C@H](NC(=O)c1ccccc1Cl)C(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000014200471 556391064 /nfs/dbraw/zinc/39/10/64/556391064.db2.gz AVGOSSNFJRKQDU-VXKWHMMOSA-N 0 3 427.976 4.048 50 0 IIAAHN CN1CCC2(CC1)C[C@H](NC(=O)c1cc(C3CC3)nn1-c1ccccc1)c1ccccc1O2 ZINC000014246566 556406567 /nfs/dbraw/zinc/40/65/67/556406567.db2.gz FNOMWIPHUIJOKS-QHCPKHFHSA-N 0 3 442.563 4.468 50 0 IIAAHN CC(C)CN1C(=O)N(CCCc2cccnc2)C(=O)C12CCN(Cc1ccsc1)CC2 ZINC000014533794 556422175 /nfs/dbraw/zinc/42/21/75/556422175.db2.gz KQRSIWSEQZDRIC-UHFFFAOYSA-N 0 3 440.613 4.031 50 0 IIAAHN CCN1CCN(C2(CNC(=O)[C@H](C)Oc3cc(C)c(Cl)c(C)c3)CCCCC2)CC1 ZINC000028293531 556451018 /nfs/dbraw/zinc/45/10/18/556451018.db2.gz JZEWOBRRPVKXOE-FQEVSTJZSA-N 0 3 436.040 4.181 50 0 IIAAHN CN(C)CCN(C[C@H]1CCCN(Cc2ccccc2F)C1)C(=O)C1(c2ccccc2)CC1 ZINC000014953994 556461496 /nfs/dbraw/zinc/46/14/96/556461496.db2.gz PVBPPVHTGZJKDQ-QFIPXVFZSA-N 0 3 437.603 4.160 50 0 IIAAHN Cc1cc(C)cc(C(=O)N[C@@H](CC(C)C)c2nnc3n2CCN(CCC(C)C)CC3)c1 ZINC000014958142 556463120 /nfs/dbraw/zinc/46/31/20/556463120.db2.gz NHBLNSJZCGHRGQ-QFIPXVFZSA-N 0 3 425.621 4.316 50 0 IIAAHN CCOc1ccc(NC(=O)c2c(NC(=O)CNC(C)C)sc3c2CC[C@H](C)C3)cc1 ZINC000004554389 556503174 /nfs/dbraw/zinc/50/31/74/556503174.db2.gz PUDQSBBFMASZRQ-HNNXBMFYSA-N 0 3 429.586 4.460 50 0 IIAAHN COc1ccc(NC(=O)[C@H]2C[C@H](CC(C)C)N[C@]23C(=O)Nc2ccc(Cl)cc23)cc1 ZINC000013592047 556529994 /nfs/dbraw/zinc/52/99/94/556529994.db2.gz PTIRECZQNMAZLK-QUZZAMIASA-N 0 3 427.932 4.159 50 0 IIAAHN O=C(CC[C@@H]1CCCN(Cc2ccccc2Cl)C1)N1CCN(c2ccccn2)CC1 ZINC000019110759 556699965 /nfs/dbraw/zinc/69/99/65/556699965.db2.gz FWAIJFONBIQHCY-FQEVSTJZSA-N 0 3 426.992 4.076 50 0 IIAAHN CC(C)n1cc(CN2CCC[C@@H](N3CCN(c4cccc(C(F)(F)F)c4)CC3)C2)cn1 ZINC000019224021 556716676 /nfs/dbraw/zinc/71/66/76/556716676.db2.gz XKZFVQHJIVWCAC-JOCHJYFZSA-N 0 3 435.538 4.269 50 0 IIAAHN O=C1CCN(Cc2ccc(C(F)(F)F)cc2)CCN1Cc1cc2c(cc1Cl)OCO2 ZINC000064044336 556822492 /nfs/dbraw/zinc/82/24/92/556822492.db2.gz OYDFZSQWWLQPAI-UHFFFAOYSA-N 0 3 440.849 4.322 50 0 IIAAHN COCc1ncc(CN2CC[C@@H](c3ccnc(-c4ccc(-c5cc[nH]n5)cc4)c3)C2)cn1 ZINC000065409598 556836199 /nfs/dbraw/zinc/83/61/99/556836199.db2.gz GLDKBGVCNCKRTI-JOCHJYFZSA-N 0 3 426.524 4.065 50 0 IIAAHN COc1ccc(CCN2C(=O)C(CC(=O)Nc3ccccc3)n3c4ccccc4nc32)cc1 ZINC000019962193 556955891 /nfs/dbraw/zinc/95/58/91/556955891.db2.gz RNTDPQDLEIVCJU-HSZRJFAPSA-N 0 3 440.503 4.204 50 0 IIAAHN Cn1ncc2c1nc(N1CCN(C3CCCCC3)CC1)nc2Nc1cccc(Cl)c1 ZINC000033266211 556976842 /nfs/dbraw/zinc/97/68/42/556976842.db2.gz UDTFEGQNLFLYOA-UHFFFAOYSA-N 0 3 425.968 4.215 50 0 IIAAHN COc1c(C)cc(C(=O)[C@H]2CCCN(Cc3c(C)n(C)n(-c4ccccc4)c3=O)C2)cc1C ZINC000020350878 557009217 /nfs/dbraw/zinc/00/92/17/557009217.db2.gz HCNYAQRZYHCMDH-NRFANRHFSA-N 0 3 447.579 4.205 50 0 IIAAHN CCN(CC)CCN(C(=O)c1ccc(C(=O)OC)cc1)c1nc2c(cc(F)cc2F)s1 ZINC000013958426 557015818 /nfs/dbraw/zinc/01/58/18/557015818.db2.gz IYHBHMDVTOYBKH-UHFFFAOYSA-N 0 3 447.507 4.350 50 0 IIAAHN CN(C)CCN(Cc1ccccc1)C(=O)Nc1ccc(-n2cccn2)cc1C(F)(F)F ZINC000048261855 557049526 /nfs/dbraw/zinc/04/95/26/557049526.db2.gz NCYJYBZXUMXUSI-UHFFFAOYSA-N 0 3 431.462 4.487 50 0 IIAAHN CCCN1CCC(N(C)S(=O)(=O)c2ccc(Oc3ccc(OCC)cc3)cc2)CC1 ZINC000048302572 557063774 /nfs/dbraw/zinc/06/37/74/557063774.db2.gz YPCZHAIIIVVCHJ-UHFFFAOYSA-N 0 3 432.586 4.373 50 0 IIAAHN CC(=O)c1cccc(S(=O)(=O)N(CCCN(C)C)Cc2ccc(Cl)c(Cl)c2)c1 ZINC000048325194 557065969 /nfs/dbraw/zinc/06/59/69/557065969.db2.gz GIWRQZIJYILFAF-UHFFFAOYSA-N 0 3 443.396 4.339 50 0 IIAAHN COc1ccc([C@H](NCC(=O)N(CC(=O)Nc2ccccc2)Cc2ccco2)C(C)C)cc1 ZINC000049590376 557117342 /nfs/dbraw/zinc/11/73/42/557117342.db2.gz NQZKFPQZOFVRRU-AREMUKBSSA-N 0 3 449.551 4.242 50 0 IIAAHN CC[NH+](CC)[C@H](CN1CCN(C[C@@H](C)C(=O)c2ccc([O-])cc2)CC1)c1ccc(F)cc1 ZINC000096316552 557198506 /nfs/dbraw/zinc/19/85/06/557198506.db2.gz OLQANDAZOREQMH-CJFMBICVSA-N 0 3 441.591 4.051 50 0 IIAAHN CCN1CCN(c2ccc(NC(=O)CSc3nccn3-c3ccccc3C)c(C)c2)CC1 ZINC000025187295 557199349 /nfs/dbraw/zinc/19/93/49/557199349.db2.gz JCJXOIVBFQUTGQ-UHFFFAOYSA-N 0 3 449.624 4.362 50 0 IIAAHN COc1cccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(C)cc4C)[C@H]3C2=O)c1 ZINC000102763231 557380891 /nfs/dbraw/zinc/38/08/91/557380891.db2.gz VFKCYELEJVTKDB-TZRRMPRUSA-N 0 3 428.488 4.363 50 0 IIAAHN COc1cccc([C@@H]2CN(Cc3cccn3C)C[C@@H]2CN(CC(C)C)C(=O)C(C)C)c1 ZINC000105050456 557474270 /nfs/dbraw/zinc/47/42/70/557474270.db2.gz AATAXLOUXXIGDO-RDGATRHJSA-N 0 3 425.617 4.390 50 0 IIAAHN C[C@H](CNC(=O)c1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F)N1CCC[C@@H](C)C1 ZINC000106926275 557533490 /nfs/dbraw/zinc/53/34/90/557533490.db2.gz PKORKFLCUDXWMW-ZIAGYGMSSA-N 0 3 428.886 4.395 50 0 IIAAHN CC1(C)CN(Cc2ccccc2)CC[C@H]1NC(=O)CCNC(=O)c1ccc2ccccc2c1 ZINC000225759013 557773802 /nfs/dbraw/zinc/77/38/02/557773802.db2.gz SGZUPKUMYMSAEQ-RUZDIDTESA-N 0 3 443.591 4.377 50 0 IIAAHN CCCCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccncc4)[C@@H]3C2=O)cc1 ZINC000229987688 557834807 /nfs/dbraw/zinc/83/48/07/557834807.db2.gz IOKLKWPWAMGOPM-RBZQAINGSA-N 0 3 443.503 4.312 50 0 IIAAHN Cc1ccc2c(c1)[C@H]1CN(C)CC[C@@H]1N2C(=S)NC(=O)c1ccc(Br)cc1 ZINC000009373652 562969724 /nfs/dbraw/zinc/96/97/24/562969724.db2.gz PIZSXFVKTPLNGH-MJGOQNOKSA-N 0 3 444.398 4.080 50 0 IIAAHN CN(C)CCN(C[C@@H]1CCCN(Cc2ccccc2F)C1)C(=O)c1ccc2ccccc2n1 ZINC000015076662 568636158 /nfs/dbraw/zinc/63/61/58/568636158.db2.gz RNNKBRLICDAYKR-OAQYLSRUSA-N 0 3 448.586 4.290 50 0 IIAAHN COCCNC(=O)C1CCN(Cc2cc3ccccc3n2Cc2cccc(Cl)c2)CC1 ZINC000064666598 568942796 /nfs/dbraw/zinc/94/27/96/568942796.db2.gz VRFYETJZQFGYQL-UHFFFAOYSA-N 0 3 439.987 4.318 50 0 IIAAHN O=C(NCc1ccco1)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CCN(C3CCCC3)C[C@@H]12 ZINC000169678695 568989969 /nfs/dbraw/zinc/98/99/69/568989969.db2.gz DKNUMTGHKPSIRT-UNMCSNQZSA-N 0 3 447.501 4.220 50 0 IIAAHN CC[C@H]1CCCCN1CCCNc1ccc(S(=O)(=O)Cc2ccc(Cl)cc2)nn1 ZINC000064942918 568992147 /nfs/dbraw/zinc/99/21/47/568992147.db2.gz ZXZHNEAJYJQWFH-IBGZPJMESA-N 0 3 437.009 4.170 50 0 IIAAHN Cc1coc2cc3oc(=O)c(CC(=O)Nc4ccc(OCCN(C)C)cc4)c(C)c3cc12 ZINC000524731533 569126566 /nfs/dbraw/zinc/12/65/66/569126566.db2.gz BCKCHLZNZSFCFT-UHFFFAOYSA-N 0 3 434.492 4.278 50 0 biogenic IIAAHN CCN(CC)[C@H](CNC(=O)C[C@H]1c2ccccc2C=CN1C(C)=O)c1cccc(OC)c1 ZINC000036751135 569137614 /nfs/dbraw/zinc/13/76/14/569137614.db2.gz RFFVSTJUYKNPML-LOSJGSFVSA-N 0 3 435.568 4.159 50 0 IIAAHN CCN(CC)[C@@H](CNC(=O)C[C@H]1c2ccccc2C=CN1C(C)=O)c1cccc(OC)c1 ZINC000036751133 569137637 /nfs/dbraw/zinc/13/76/37/569137637.db2.gz RFFVSTJUYKNPML-DQEYMECFSA-N 0 3 435.568 4.159 50 0 IIAAHN Cc1cccc(-c2nc(N3CCN(C(C)C)CC3)nc3nn(-c4cccc(F)c4)c(N)c32)c1 ZINC000037361392 569181565 /nfs/dbraw/zinc/18/15/65/569181565.db2.gz OUHDGKHMGBFNLG-UHFFFAOYSA-N 0 3 445.546 4.043 50 0 IIAAHN Cc1cccc(-n2nc3nc(NCCN4CCCC4)nc(-c4cc(F)ccc4F)c3c2N)c1 ZINC000037360946 569181570 /nfs/dbraw/zinc/18/15/70/569181570.db2.gz UOZJTJRIMTWQBR-UHFFFAOYSA-N 0 3 449.509 4.159 50 0 IIAAHN Cc1cccc(-n2nc3nc(NCCN4CCCC4)nc(-c4cccc(F)c4)c3c2N)c1 ZINC000037375830 569185489 /nfs/dbraw/zinc/18/54/89/569185489.db2.gz ZCDUWVZHHWJTRK-UHFFFAOYSA-N 0 3 431.519 4.020 50 0 IIAAHN CN(C(=O)[C@@H]1CN(Cc2ccccc2)C[C@H]1C(F)(F)F)c1ccc(-c2ccccc2)nn1 ZINC000252515180 569189231 /nfs/dbraw/zinc/18/92/31/569189231.db2.gz HTXWGUPEFBIFNJ-WOJBJXKFSA-N 0 3 440.469 4.417 50 0 IIAAHN Cc1cc2nc(C)c(CCC(=O)NC[C@H](c3cccs3)N3CCC(C)CC3)c(C)n2n1 ZINC000027574148 569273700 /nfs/dbraw/zinc/27/37/00/569273700.db2.gz OFRCHJHDPVVKBF-OAQYLSRUSA-N 0 3 439.629 4.238 50 0 IIAAHN Cc1nnc(N2C(=O)c3oc4ccc(Cl)cc4c(=O)c3C2c2ccccc2F)s1 ZINC000002400917 569299535 /nfs/dbraw/zinc/29/95/35/569299535.db2.gz GWWMNLDDZRHKOJ-MRXNPFEDSA-N 0 3 427.844 4.495 50 0 IIAAHN Cc1cc(C)nc(SCc2ccc(C(=O)NC3CCN(Cc4ccccc4)CC3)o2)n1 ZINC000079474054 569330674 /nfs/dbraw/zinc/33/06/74/569330674.db2.gz BCVJDSUALAGBAZ-UHFFFAOYSA-N 0 3 436.581 4.373 50 0 IIAAHN O=C(CN[C@@H](CN1CCCC1)c1ccccc1)Nc1cc(C2CC2)nn1-c1ccccc1 ZINC000095462574 569370170 /nfs/dbraw/zinc/37/01/70/569370170.db2.gz QMQONKWHCDMIHJ-DEOSSOPVSA-N 0 3 429.568 4.115 50 0 IIAAHN CCCCNC(=O)CC1N=C2c3ccccc3N=C(SCc3ccc(C)cc3)N2C1=O ZINC000002968100 569432989 /nfs/dbraw/zinc/43/29/89/569432989.db2.gz AWWHKTGVYBPHMH-FQEVSTJZSA-N 0 3 434.565 4.193 50 0 IIAAHN CCCCNC(=O)CC1N=C2c3ccccc3N=C(SCc3ccc(F)cc3)N2C1=O ZINC000002968061 569432998 /nfs/dbraw/zinc/43/29/98/569432998.db2.gz CVVJXCBMFHPIJL-LJQANCHMSA-N 0 3 438.528 4.024 50 0 IIAAHN CN(C)Cc1ccc(-c2ccccc2CNC(=O)[C@@H]2CCCN(C(=O)c3ccco3)C2)cc1 ZINC000031079416 569453287 /nfs/dbraw/zinc/45/32/87/569453287.db2.gz CQQFJTFLFVWDLK-HSZRJFAPSA-N 0 3 445.563 4.177 50 0 IIAAHN COc1cccc(CN2CCC[C@@]3(CCN(Cc4cccn4-c4ccccn4)C3)C2)c1OC ZINC000015068491 569481942 /nfs/dbraw/zinc/48/19/42/569481942.db2.gz ZJWZURQEODWPDR-HHHXNRCGSA-N 0 3 446.595 4.378 50 0 IIAAHN CCN(CC)[C@@H](CNC(=O)Nc1cc(Cl)ccc1N1CCOCC1)c1ccsc1 ZINC000040103408 569488017 /nfs/dbraw/zinc/48/80/17/569488017.db2.gz NOSTWAGAJTWUMV-FQEVSTJZSA-N 0 3 437.009 4.443 50 0 IIAAHN COc1cccc(-c2nn(Cc3ccccc3)cc2C(=O)NC[C@@H](C)N2CCCCC2)c1 ZINC000040157562 569494316 /nfs/dbraw/zinc/49/43/16/569494316.db2.gz UTWHYBUJUGEQOL-HXUWFJFHSA-N 0 3 432.568 4.211 50 0 IIAAHN FC(F)(F)c1cccc(N2CCN(C3CCN(CCOc4ccccc4)CC3)CC2)c1 ZINC000245020851 569496983 /nfs/dbraw/zinc/49/69/83/569496983.db2.gz MKEUGGVYUPLJKE-UHFFFAOYSA-N 0 3 433.518 4.371 50 0 IIAAHN COc1ccc2c(c1)oc1c(c2=O)[C@H](c2ccc(C(C)C)cc2)N(CCCN(C)C)C1=O ZINC000009429329 569533687 /nfs/dbraw/zinc/53/36/87/569533687.db2.gz HBNBFSOVUMQZIK-QHCPKHFHSA-N 0 3 434.536 4.422 50 0 IIAAHN CN(CCCNC(=O)[C@H]1c2ccccc2C(=O)N(C)[C@@H]1c1cccs1)Cc1ccccc1 ZINC000009432377 569534334 /nfs/dbraw/zinc/53/43/34/569534334.db2.gz VRVVRZMLMVKKCY-BJKOFHAPSA-N 0 3 447.604 4.297 50 0 IIAAHN Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)NCCCN(C)Cc1ccccc1 ZINC000010300030 569580642 /nfs/dbraw/zinc/58/06/42/569580642.db2.gz VUPNYLKFTSQRMU-UHFFFAOYSA-N 0 3 429.568 4.070 50 0 IIAAHN CC(=O)c1ccc(C(=O)N(CCN(C)C)C[C@@H]2CCCN(Cc3ccccc3F)C2)s1 ZINC000012479961 518304544 /nfs/dbraw/zinc/30/45/44/518304544.db2.gz SMWDYOCSEMHILG-LJQANCHMSA-N 0 3 445.604 4.006 50 0 IIAAHN CC(=O)Nc1ccc(CN2CCC[C@@H](CCC(=O)NCc3ccc(F)c(F)c3)C2)cc1 ZINC000012201233 519716239 /nfs/dbraw/zinc/71/62/39/519716239.db2.gz GWEWFMIBHNDXSU-SFHVURJKSA-N 0 3 429.511 4.232 50 0 IIAAHN CC(C)[C@@H](NCC(=O)Nc1cc(C(F)(F)F)ccc1-n1cncn1)c1ccc(F)cc1 ZINC000012766069 519798970 /nfs/dbraw/zinc/79/89/70/519798970.db2.gz VHKYMJWQEBNAIE-HXUWFJFHSA-N 0 3 435.425 4.351 50 0 IIAAHN CCOC(=O)N1CCN(C(=O)c2ccc(CN3CCC(Cc4ccccc4)CC3)cc2)CC1 ZINC000012285354 520949457 /nfs/dbraw/zinc/94/94/57/520949457.db2.gz OLWAOTINAMMGJK-UHFFFAOYSA-N 0 3 449.595 4.056 50 0 IIAAHN CC1CCN([C@H](CNC(=O)C[C@@H]2Sc3ccccc3NC2=O)c2cccs2)CC1 ZINC000022681264 521035754 /nfs/dbraw/zinc/03/57/54/521035754.db2.gz COUNIRGUQMOSEW-XLIONFOSSA-N 0 3 429.611 4.140 50 0 IIAAHN CCC(=O)N[C@H](c1nnc2n1CCN(Cc1ccc3c(c1)Cc1ccccc1-3)CC2)C(C)C ZINC000012191724 521186968 /nfs/dbraw/zinc/18/69/68/521186968.db2.gz KGTKFPUYCPUGDT-SANMLTNESA-N 0 3 443.595 4.131 50 0 IIAAHN CCN1C(=O)N(CCCc2cccnc2)C(=O)C12CCN(C/C(C)=C/c1ccccc1)CC2 ZINC000014748624 521525496 /nfs/dbraw/zinc/52/54/96/521525496.db2.gz WBCJALZQPCJHNF-ZBJSNUHESA-N 0 3 446.595 4.236 50 0 IIAAHN CCCn1ncc(CN2CCC[C@@H](N3CCN(c4cccc(C(F)(F)F)c4)CC3)C2)c1C ZINC000022851632 521672127 /nfs/dbraw/zinc/67/21/27/521672127.db2.gz DDIVFQUMAVDBJJ-HSZRJFAPSA-N 0 3 449.565 4.407 50 0 IIAAHN COC[C@@H]1CCCN(C(=O)c2ccc(OC3CCN(CCc4ccccc4)CC3)cc2)C1 ZINC000012207826 522453776 /nfs/dbraw/zinc/45/37/76/522453776.db2.gz DVCFRHPRYSTTAO-HSZRJFAPSA-N 0 3 436.596 4.271 50 0 IIAAHN COc1cc2c(cc1OC)CN(C[C@@H]1C(=O)O[C@@H]3C[C@@]4(C)CCC[C@H](C)C4=C[C@H]13)CC2 ZINC000012881692 523031300 /nfs/dbraw/zinc/03/13/00/523031300.db2.gz APKCVAIEWYWHDF-YZUCHWKGSA-N 0 3 425.569 4.376 50 0 biogenic IIAAHN COCCNC(=O)c1ccc(OC2CCN([C@H](C)COc3ccccc3)CC2)c(Cl)c1 ZINC000012373285 523926728 /nfs/dbraw/zinc/92/67/28/523926728.db2.gz HJGGBYRBTNYRIE-GOSISDBHSA-N 0 3 446.975 4.027 50 0 IIAAHN COc1ccc(CN2CCC[C@@H](N3CCN(c4cccc(C(F)(F)F)c4)CC3)C2)cc1O ZINC000020450258 524027528 /nfs/dbraw/zinc/02/75/28/524027528.db2.gz HPRRPGXHKUZGAD-OAQYLSRUSA-N 0 3 449.517 4.206 50 0 IIAAHN Cc1cccc(-n2ncc(C(=O)NCCCN3CCc4ccccc4C3)c2-n2cccc2)c1 ZINC000020980173 524146063 /nfs/dbraw/zinc/14/60/63/524146063.db2.gz HDQONPLQHKGBTA-UHFFFAOYSA-N 0 3 439.563 4.150 50 0 IIAAHN Cc1ccc(Cn2c(CN3CCC(C(=O)N4CCOCC4)CC3)cc3ccccc32)cc1 ZINC000021116165 524767846 /nfs/dbraw/zinc/76/78/46/524767846.db2.gz QUDJNVNISZETON-UHFFFAOYSA-N 0 3 431.580 4.069 50 0 IIAAHN COc1cccc(-c2nn(-c3ccccc3)cc2CNCc2ccc(-n3cncn3)cc2)c1 ZINC000012586165 525729663 /nfs/dbraw/zinc/72/96/63/525729663.db2.gz FYCQDFHNBFFMTR-UHFFFAOYSA-N 0 3 436.519 4.418 50 0 IIAAHN COc1cccc(CN2CCC[C@@H](c3ccnc(SCCN4CCCC4)n3)C2)c1OC ZINC000012217448 525939052 /nfs/dbraw/zinc/93/90/52/525939052.db2.gz OYZIODDAVVDYRU-LJQANCHMSA-N 0 3 442.629 4.061 50 0 IIAAHN Cc1oc(-c2cc3c(cc2Cl)OCO3)nc1CN1CCC(N2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000020998376 526728395 /nfs/dbraw/zinc/72/83/95/526728395.db2.gz RAPDGIJGJVMKRN-GASCZTMLSA-N 0 3 447.963 4.106 50 0 IIAAHN Cc1sc2ncnc(N[C@@H](C)C(=O)NCc3ccccc3CN3CCCCC3)c2c1C ZINC000012602910 526900522 /nfs/dbraw/zinc/90/05/22/526900522.db2.gz JHFSTYOMJBEEMN-KRWDZBQOSA-N 0 3 437.613 4.411 50 0 IIAAHN O=C(Nc1ccc(-c2cc[nH]n2)cc1)[C@H]1CCCN(Cc2cccc(-n3cccn3)c2)C1 ZINC000012433679 527138593 /nfs/dbraw/zinc/13/85/93/527138593.db2.gz GJDIHJPVGCGJCD-NRFANRHFSA-N 0 3 426.524 4.113 50 0 IIAAHN O=C(C1CCCC1)N1C[C@@H](CN2CCN(c3ccc(F)cc3)CC2)[C@@H](c2ccccc2)C1 ZINC000034697679 555811255 /nfs/dbraw/zinc/81/12/55/555811255.db2.gz OXNOJVNGVJYKQR-ZEQKJWHPSA-N 0 3 435.587 4.380 50 0 IIAAHN COc1ccc(COC[C@@H](O)CN2CCC[C@H](c3nc4ccccc4s3)C2)cc1OC ZINC000034800856 555907807 /nfs/dbraw/zinc/90/78/07/555907807.db2.gz ZXDXTZCGQKIDNV-OALUTQOASA-N 0 3 442.581 4.071 50 0 IIAAHN CCCCc1ncc(CN2CCC[C@H](CNC(=O)C3(c4ccc(Cl)cc4)CC3)C2)[nH]1 ZINC000011664844 556345773 /nfs/dbraw/zinc/34/57/73/556345773.db2.gz WLORZLFPILEHQQ-GOSISDBHSA-N 0 3 429.008 4.466 50 0 IIAAHN CC(C)c1ccc(CN2CCc3nnc([C@@H](C)NC(=O)CCc4ccccc4)n3CC2)cc1 ZINC000011782205 556350910 /nfs/dbraw/zinc/35/09/10/556350910.db2.gz OZMMAFGQGISWLS-OAQYLSRUSA-N 0 3 445.611 4.270 50 0 IIAAHN CCN(C[C@H]1CCCN(CCc2cccc(OC)c2)C1)C(=O)Nc1ccc2c(c1)OCO2 ZINC000011817757 556360065 /nfs/dbraw/zinc/36/00/65/556360065.db2.gz IGLWZWTXNSJLGA-FQEVSTJZSA-N 0 3 439.556 4.232 50 0 IIAAHN COc1ccc(CN2CCC[C@@H](CCC(=O)N3CCN(Cc4ccccc4)CC3)C2)cc1 ZINC000011818092 556360554 /nfs/dbraw/zinc/36/05/54/556360554.db2.gz KTOHRJCMWLSQBX-DEOSSOPVSA-N 0 3 435.612 4.032 50 0 IIAAHN Cc1cc(C(=O)NCCOc2ccc(CN(C)Cc3cccc4ccccc43)cc2)n(C)n1 ZINC000011870428 556368665 /nfs/dbraw/zinc/36/86/65/556368665.db2.gz OQTLMCDATSOPMS-UHFFFAOYSA-N 0 3 442.563 4.323 50 0 IIAAHN COc1ccc([C@@H](CNC(=O)CSc2ccc(Br)cc2C)N(C)C)cc1 ZINC000014125105 556373258 /nfs/dbraw/zinc/37/32/58/556373258.db2.gz VNYBYTRPMFJPNX-GOSISDBHSA-N 0 3 437.403 4.277 50 0 IIAAHN CC(C)[C@H](NC(=O)c1ccccc1Cl)C(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000014200469 556390923 /nfs/dbraw/zinc/39/09/23/556390923.db2.gz AVGOSSNFJRKQDU-YADHBBJMSA-N 0 3 427.976 4.048 50 0 IIAAHN O=C(Nc1ccnn1C1CCN(Cc2c[nH]c3ccccc23)CC1)c1ccc2c(c1)OCO2 ZINC000012049202 556391705 /nfs/dbraw/zinc/39/17/05/556391705.db2.gz SHOGAGPOEGQJMG-UHFFFAOYSA-N 0 3 443.507 4.183 50 0 IIAAHN COc1ccc(CC(=O)NC[C@H]2CCCN(Cc3ccc(OC(F)(F)F)cc3)C2)cc1 ZINC000012076728 556397904 /nfs/dbraw/zinc/39/79/04/556397904.db2.gz WNDGJTCMVNFWDI-LJQANCHMSA-N 0 3 436.474 4.165 50 0 IIAAHN Cc1ccc(-c2noc(-c3ccc(OCC(=O)NCCN4CCCC[C@@H]4C)cc3)n2)cc1 ZINC000032579068 556406054 /nfs/dbraw/zinc/40/60/54/556406054.db2.gz BQBQBQKODWWKSS-IBGZPJMESA-N 0 3 434.540 4.081 50 0 IIAAHN CCN1C(=O)N(Cc2cccc(OC)c2)C(=O)C12CCN(Cc1ccccc1Cl)CC2 ZINC000014533717 556422155 /nfs/dbraw/zinc/42/21/55/556422155.db2.gz FOPYLFABYMUVAH-UHFFFAOYSA-N 0 3 441.959 4.168 50 0 IIAAHN CCN1C(=O)N(Cc2cccc(OC)c2)C(=O)C12CCN(Cc1cc3ccccc3o1)CC2 ZINC000014732261 556437163 /nfs/dbraw/zinc/43/71/63/556437163.db2.gz KTPIZJCPHCTHAX-UHFFFAOYSA-N 0 3 447.535 4.260 50 0 IIAAHN Cc1ncsc1C(=O)N(C)CC1CCN(CCc2cccc(C(F)(F)F)c2)CC1 ZINC000014974780 556468042 /nfs/dbraw/zinc/46/80/42/556468042.db2.gz RJRINDDEYWPODM-UHFFFAOYSA-N 0 3 425.520 4.497 50 0 IIAAHN CCOc1c(Br)cc(CNC[C@@H](O)c2ccc(OC(C)C)cc2)cc1OC ZINC000072286599 556477993 /nfs/dbraw/zinc/47/79/93/556477993.db2.gz LEHLGJMLCSEGDB-LJQANCHMSA-N 0 3 438.362 4.467 50 0 IIAAHN CN(Cc1ccc(CN(C)Cc2ccc3c(c2)OCO3)cc1)Cc1ccc2c(c1)OCO2 ZINC000015521157 556533055 /nfs/dbraw/zinc/53/30/55/556533055.db2.gz BVVRYKBRJQRNNN-UHFFFAOYSA-N 0 3 432.520 4.408 50 0 IIAAHN CN(CCNC(=O)C1CCN(Cc2ccccc2SC(F)F)CC1)Cc1ccccc1 ZINC000072308606 556565305 /nfs/dbraw/zinc/56/53/05/556565305.db2.gz UOKMCTWDERVKAX-UHFFFAOYSA-N 0 3 447.595 4.462 50 0 IIAAHN Cc1oncc1C(=O)NC1CCN(Cc2cn(-c3ccccc3)nc2-c2ccccc2)CC1 ZINC000072311958 556594300 /nfs/dbraw/zinc/59/43/00/556594300.db2.gz CQGAOERUPDISLO-UHFFFAOYSA-N 0 3 441.535 4.230 50 0 IIAAHN CCOc1nc2cccc(C(=O)OC)c2n1Cc1ccc(-c2ccccc2C(=N)NO)cc1 ZINC000038992094 556626785 /nfs/dbraw/zinc/62/67/85/556626785.db2.gz OQJREYQHKLULTR-UHFFFAOYSA-N 0 3 444.491 4.241 50 0 in-vitro IIAAHN CCN(CC)CCN1C(=O)c2oc3ccc(F)cc3c(=O)c2[C@H]1c1cccc(Cl)c1 ZINC000016750980 556637435 /nfs/dbraw/zinc/63/74/35/556637435.db2.gz WOBFTHRKZNFANM-HXUWFJFHSA-N 0 3 428.891 4.473 50 0 IIAAHN CCN(CC)CCN(C(=O)CCc1ccccc1)c1nc2cc3c(cc2s1)OCO3 ZINC000005122063 556638200 /nfs/dbraw/zinc/63/82/00/556638200.db2.gz FSRYNUMWKNJRDE-UHFFFAOYSA-N 0 3 425.554 4.333 50 0 IIAAHN C/C(=C\c1ccccc1)CN1CCC2(CC[C@@H](CNC(=O)c3csc(C)n3)O2)CC1 ZINC000011881928 556668650 /nfs/dbraw/zinc/66/86/50/556668650.db2.gz QJXCRRGZDGFSDG-TVADFSRQSA-N 0 3 425.598 4.298 50 0 IIAAHN CCCN1CCN(c2ncnc3sc(C(=O)NCc4cccc(Cl)c4)c(C)c32)CC1 ZINC000033048417 556744915 /nfs/dbraw/zinc/74/49/15/556744915.db2.gz GHMUEBPWKNDOQH-UHFFFAOYSA-N 0 3 444.004 4.115 50 0 IIAAHN CCCN1CCN(c2ncnc3sc(C(=O)NC[C@H](C)c4ccccc4)c(C)c32)CC1 ZINC000033048463 556744929 /nfs/dbraw/zinc/74/49/29/556744929.db2.gz APASSDHGSDIQIV-KRWDZBQOSA-N 0 3 437.613 4.065 50 0 IIAAHN COc1ccc(C(=O)Nc2ccc(N3CCN(Cc4ccccc4)CC3)cc2)cc1OC ZINC000057279073 556747194 /nfs/dbraw/zinc/74/71/94/556747194.db2.gz OOXUBBXJTRHEFC-UHFFFAOYSA-N 0 3 431.536 4.278 50 0 IIAAHN COc1cc(OC)cc(C(=O)Nc2ccc(N3CCN(Cc4ccccc4)CC3)cc2)c1 ZINC000057254372 556747198 /nfs/dbraw/zinc/74/71/98/556747198.db2.gz SHVQJQXPPHQGGA-UHFFFAOYSA-N 0 3 431.536 4.278 50 0 IIAAHN CN(C)CCN(Cc1ccccc1F)C(=O)NCc1ccc(-n2cnc3ccccc32)cc1 ZINC000058202292 556771493 /nfs/dbraw/zinc/77/14/93/556771493.db2.gz QKKVHYZTDIJMCI-UHFFFAOYSA-N 0 3 445.542 4.438 50 0 IIAAHN C[C@@H](CNC(=O)c1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F)N1CCC[C@H](C)C1 ZINC000058954914 556793284 /nfs/dbraw/zinc/79/32/84/556793284.db2.gz PKORKFLCUDXWMW-KBPBESRZSA-N 0 3 428.886 4.395 50 0 IIAAHN Cc1ccc([C@H](CNC(=O)[C@H]2CCCN2C(=O)c2cc(Cl)ccc2Cl)N(C)C)cc1 ZINC000062580313 556836019 /nfs/dbraw/zinc/83/60/19/556836019.db2.gz HDAKQDGLQOSIOB-RTWAWAEBSA-N 0 3 448.394 4.326 50 0 IIAAHN CN1CCC(Oc2ccc(NC(=O)C3CCN(Cc4ccccc4F)CC3)cc2)CC1 ZINC000067621739 556844907 /nfs/dbraw/zinc/84/49/07/556844907.db2.gz OHBABWMYGLZQGN-UHFFFAOYSA-N 0 3 425.548 4.149 50 0 IIAAHN Fc1ccccc1N1CCN([C@H]2CCCN(Cc3c[nH]nc3C3CCCCC3)C2)CC1 ZINC000019812756 556919538 /nfs/dbraw/zinc/91/95/38/556919538.db2.gz INALVJRNJFEHEZ-QFIPXVFZSA-N 0 3 425.596 4.383 50 0 IIAAHN O=C(CC1C(=O)N(Cc2ccccn2)c2nc3ccccc3n21)Nc1ccccc1Cl ZINC000020103540 556981023 /nfs/dbraw/zinc/98/10/23/556981023.db2.gz MLKGXNKOCGIHKX-FQEVSTJZSA-N 0 3 431.883 4.201 50 0 IIAAHN O=C(CC1C(=O)N(Cc2ccccn2)c2nc3ccccc3n21)Nc1ccc(F)c(Cl)c1 ZINC000020103563 556981104 /nfs/dbraw/zinc/98/11/04/556981104.db2.gz JXESKLPBBXPPHZ-FQEVSTJZSA-N 0 3 449.873 4.341 50 0 IIAAHN Cc1c(Cl)cccc1NC(=O)CC1C(=O)N(C[C@H]2CCCO2)c2nc3ccccc3n21 ZINC000023382280 557089584 /nfs/dbraw/zinc/08/95/84/557089584.db2.gz BUKDXQVETIHCGY-QRWLVFNGSA-N 0 3 438.915 4.094 50 0 IIAAHN O=C1C[C@H](NCCc2c[nH]c3ccc(Cl)cc23)C(=O)N1c1ccccc1C(F)(F)F ZINC000017989120 557136204 /nfs/dbraw/zinc/13/62/04/557136204.db2.gz XOPAVEMOMZXYGP-KRWDZBQOSA-N 0 3 435.833 4.304 50 0 IIAAHN CN(C)Cc1ccc(-c2ccccc2CNC(=O)c2ccc3c(c2)NC(=O)CS3)cc1 ZINC000025521191 557213123 /nfs/dbraw/zinc/21/31/23/557213123.db2.gz CREMZLSPTGKSGB-UHFFFAOYSA-N 0 3 431.561 4.389 50 0 IIAAHN CCc1ccc([C@@H](CNC(=O)c2ccc(=O)n(Cc3ccccc3Cl)c2)N(C)C)cc1 ZINC000027597691 557267102 /nfs/dbraw/zinc/26/71/02/557267102.db2.gz GWSKEDKUHIGFMR-HSZRJFAPSA-N 0 3 437.971 4.145 50 0 IIAAHN CC(C)[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000027604952 557267131 /nfs/dbraw/zinc/26/71/31/557267131.db2.gz MTTBXRAOILEPBF-QUCCMNQESA-N 0 3 434.005 4.109 50 0 IIAAHN COc1cccc(N2C(=O)C3ON(c4ccc(Cl)cc4)[C@@H](c4cccs4)[C@@H]3C2=O)c1 ZINC000101879390 557296301 /nfs/dbraw/zinc/29/63/01/557296301.db2.gz ZAYSVDYPHSILKN-SLFFLAALSA-N 0 3 440.908 4.461 50 0 IIAAHN O=C(NCc1cccc(F)c1)[C@@H]1Cc2ccccc2N2CCN(CCc3ccccc3)C[C@H]12 ZINC000104916215 557464868 /nfs/dbraw/zinc/46/48/68/557464868.db2.gz ZMINZEFTLSFHMP-XNMGPUDCSA-N 0 3 443.566 4.048 50 0 IIAAHN CC(=O)N1CC[C@H](NCc2ccc(NC(=O)c3cccnc3)cc2)c2ccc(F)cc2C1 ZINC000225614948 557752388 /nfs/dbraw/zinc/75/23/88/557752388.db2.gz CXEYQOHESQQHAV-DEOSSOPVSA-N 0 3 432.499 4.056 50 0 IIAAHN COc1cc(NC(=O)NCC2CCN(Cc3ccc(C)cc3)CC2)cc(OC)c1OC ZINC000006819330 562948386 /nfs/dbraw/zinc/94/83/86/562948386.db2.gz QAOKTGLCQQLQGC-UHFFFAOYSA-N 0 3 427.545 4.055 50 0 IIAAHN COc1ccc2nc(N(Cc3cccnc3)C(=O)C3COc4ccccc4O3)sc2c1 ZINC000008601602 562955509 /nfs/dbraw/zinc/95/55/09/562955509.db2.gz GMIZBGPTHGISRP-HXUWFJFHSA-N 0 3 433.489 4.073 50 0 IIAAHN Cc1ccccc1[S@@](=O)Cc1ccc(C(=O)NC2CCN(Cc3ccccc3)CC2)o1 ZINC000009115471 562967139 /nfs/dbraw/zinc/96/71/39/562967139.db2.gz LSDRXLPUGPHHND-WJOKGBTCSA-N 0 3 436.577 4.290 50 0 IIAAHN COc1ccc([C@@H]2C3=C(NCCN=C3c3ccccc3)C(=O)N2c2ccccc2)c(OC)c1 ZINC000019848007 563023164 /nfs/dbraw/zinc/02/31/64/563023164.db2.gz IEMCITZJDACQAB-AREMUKBSSA-N 0 3 439.515 4.138 50 0 IIAAHN CCCCS[C@@H]1CCCC[C@H]1OC(=O)CCN1C[C@H]2C[C@@H](C1)Cn1c(=O)cccc12 ZINC000263586686 568759503 /nfs/dbraw/zinc/75/95/03/568759503.db2.gz WXRHXRQJLTZHBC-YVNJGZBMSA-N 0 3 432.630 4.045 50 0 biogenic IIAAHN C=Cc1c(CN(C)C[C@H](C)O)c2cc(Br)ccc2n1CCc1ccccn1 ZINC000085393409 568817241 /nfs/dbraw/zinc/81/72/41/568817241.db2.gz CNGBXLSRZRYWNY-INIZCTEOSA-N 0 3 428.374 4.497 50 0 IIAAHN CC(C)[C@H](NCC(=O)NCCSCc1cccs1)c1ccc2c(c1)OCCCO2 ZINC000016047152 568868798 /nfs/dbraw/zinc/86/87/98/568868798.db2.gz QZHWIIGIULOSQF-QFIPXVFZSA-N 0 3 434.627 4.246 50 0 IIAAHN COc1cccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc(Cl)cc4)[C@H]3C2=O)c1 ZINC000239432822 568911498 /nfs/dbraw/zinc/91/14/98/568911498.db2.gz WOETXSICZKRVLL-YPAWHYETSA-N 0 3 434.879 4.400 50 0 IIAAHN CC(C)(C)OC(=O)NC[C@H]1CC[C@H](C(=O)NC2CCN(Cc3ccccc3)CC2)CC1 ZINC000245256631 568913999 /nfs/dbraw/zinc/91/39/99/568913999.db2.gz SBDWEGLQMXXFNY-XUTJKUGGSA-N 0 3 429.605 4.098 50 0 IIAAHN CCCN(CC(=O)N1CCc2sccc2[C@H]1COc1ccc(C(C)C)cc1)C[C@@H](C)O ZINC000169681678 568992547 /nfs/dbraw/zinc/99/25/47/568992547.db2.gz DQMWZDUHGVKYEW-AUSIDOKSSA-N 0 3 444.641 4.469 50 0 IIAAHN CC[C@@H](O)CN(CC(=O)N1CCc2sccc2[C@@H]1COc1cccc(C)c1)CC1CC1 ZINC000036309512 568996130 /nfs/dbraw/zinc/99/61/30/568996130.db2.gz FKTPIQFLWJFSKO-OFNKIYASSA-N 0 3 442.625 4.044 50 0 IIAAHN COCCCN(Cc1c(-c2ccccc2)noc1N1CCCC1)C[C@@H](O)Cc1ccccc1 ZINC000036312939 568998174 /nfs/dbraw/zinc/99/81/74/568998174.db2.gz UPOLCRHCCZTQSW-DEOSSOPVSA-N 0 3 449.595 4.384 50 0 IIAAHN Cc1ccccc1Cn1nnc2cc(C(=O)NC3CCN(Cc4ccccc4)CC3)ccc21 ZINC000065030304 569091179 /nfs/dbraw/zinc/09/11/79/569091179.db2.gz WRUGPQNDZLHOMW-UHFFFAOYSA-N 0 3 439.563 4.182 50 0 IIAAHN O=C(c1cccc(N2CCN[C@@H](c3ccccc3)C2)n1)N1CCC(Cc2ccccc2)CC1 ZINC000065256246 569123191 /nfs/dbraw/zinc/12/31/91/569123191.db2.gz JRMKPUJZMCOFDG-AREMUKBSSA-N 0 3 440.591 4.327 50 0 IIAAHN COCCCNC(=O)C1CCN(Cc2cc3ccccc3n2Cc2ccc(F)cc2)CC1 ZINC000065314995 569135688 /nfs/dbraw/zinc/13/56/88/569135688.db2.gz ZUSRKVZKPQFRCI-UHFFFAOYSA-N 0 3 437.559 4.193 50 0 IIAAHN C[C@@H](C(=O)NC[C@@H](c1ccccc1)N1CCC(C)CC1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000170600663 569142916 /nfs/dbraw/zinc/14/29/16/569142916.db2.gz NWQBDNPULUSROZ-KNQAVFIVSA-N 0 3 429.605 4.079 50 0 IIAAHN Cc1ccc([O-])c(C[N@@H+]2CCC[C@@H](Nc3ccc(NC(=O)OC(C)(C)C)nc3)CC2)n1 ZINC000170618062 569146997 /nfs/dbraw/zinc/14/69/97/569146997.db2.gz DXBLWQXENKCUBD-QGZVFWFLSA-N 0 3 427.549 4.304 50 0 IIAAHN Cc1ccc([O-])c(C[N@H+]2CCC[C@@H](Nc3ccc(NC(=O)OC(C)(C)C)nc3)CC2)n1 ZINC000170618062 569146998 /nfs/dbraw/zinc/14/69/98/569146998.db2.gz DXBLWQXENKCUBD-QGZVFWFLSA-N 0 3 427.549 4.304 50 0 IIAAHN CC1CCN([C@H](CNC(=O)[C@@H]2CCCN2C(=O)C2CCCCC2)c2cccs2)CC1 ZINC000089929952 569167890 /nfs/dbraw/zinc/16/78/90/569167890.db2.gz ZUKLWBIQPNHTTL-LEWJYISDSA-N 0 3 431.646 4.209 50 0 IIAAHN CC[C@](C)(COc1ncccc1Cl)NCC(=O)N(C)Cc1ccc(OC(F)F)cc1 ZINC000089942105 569168419 /nfs/dbraw/zinc/16/84/19/569168419.db2.gz PRJJZHVXURKMFF-OAQYLSRUSA-N 0 3 441.906 4.132 50 0 IIAAHN CCCCN(CC(=O)N1CCC(C(=O)N2CCCCC2)CC1)[C@@H](CC)c1ccccc1 ZINC000078813363 569319207 /nfs/dbraw/zinc/31/92/07/569319207.db2.gz AXXLKWGTASCSSH-DEOSSOPVSA-N 0 3 427.633 4.491 50 0 IIAAHN CN1CCC[C@H](COC(=O)c2ccc(CNC(N)=O)cc2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000078822680 569319428 /nfs/dbraw/zinc/31/94/28/569319428.db2.gz FDPGNVYSDLXEBN-QUCCMNQESA-N 0 3 449.473 4.114 50 0 IIAAHN Cc1csc(-c2cccc(NC(=O)N[C@@H]3CCN(Cc4ccccc4)C[C@@H]3CO)c2)n1 ZINC000078975302 569321163 /nfs/dbraw/zinc/32/11/63/569321163.db2.gz MGABPGKLWMHMHZ-IFMALSPDSA-N 0 3 436.581 4.123 50 0 IIAAHN Cc1ccc(Cl)cc1NC(=O)CNC(C)(C)COc1ncccc1Br ZINC000095456051 569368704 /nfs/dbraw/zinc/36/87/04/569368704.db2.gz VTDFGOHNRCHXFS-UHFFFAOYSA-N 0 3 426.742 4.192 50 0 IIAAHN O=C(NCc1ccccc1CN1CCC[C@@H]1CO)[C@@H]1C[C@@H]1c1ccc(Cl)cc1Cl ZINC000096007056 569379427 /nfs/dbraw/zinc/37/94/27/569379427.db2.gz QQJLRDKXZYPOCO-HMXCVIKNSA-N 0 3 433.379 4.370 50 0 IIAAHN Cc1cc(N(C)Cc2ccccc2)nc(SCc2cccc(C(=O)NCCN(C)C)c2)n1 ZINC000096279822 569389459 /nfs/dbraw/zinc/38/94/59/569389459.db2.gz OUALFTKGWIQNMQ-UHFFFAOYSA-N 0 3 449.624 4.005 50 0 IIAAHN O=C(NC(=S)Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1)c1ccccc1F ZINC000057251269 569430081 /nfs/dbraw/zinc/43/00/81/569430081.db2.gz POBHFDABHOBLJN-UHFFFAOYSA-N 0 3 448.567 4.275 50 0 IIAAHN CN(CC(=O)Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1)Cc1ccccc1 ZINC000057315373 569431005 /nfs/dbraw/zinc/43/10/05/569431005.db2.gz KMDBIKSKMHXIGI-UHFFFAOYSA-N 0 3 428.580 4.079 50 0 IIAAHN CC[C@H](Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1)C(=O)Nc1cc(C)on1 ZINC000057362940 569431969 /nfs/dbraw/zinc/43/19/69/569431969.db2.gz QTIBLCIQONQEOC-QHCPKHFHSA-N 0 3 433.556 4.134 50 0 IIAAHN COc1cccc(-n2cc(C(=O)N3CCN(C4CCCCC4)CC3)c3ccccc3c2=O)c1 ZINC000057990418 569444047 /nfs/dbraw/zinc/44/40/47/569444047.db2.gz QGKDHYOTDOLDNP-UHFFFAOYSA-N 0 3 445.563 4.090 50 0 IIAAHN COc1ccc(-c2nn(-c3ccccc3)cc2CN2CCC[C@H](c3nncn3C)C2)c(F)c1 ZINC000067833841 569472453 /nfs/dbraw/zinc/47/24/53/569472453.db2.gz KBGYUKYIDNUKJG-SFHVURJKSA-N 0 3 446.530 4.195 50 0 IIAAHN N=c1n(CCN2CCCCC2)c2ccccc2n1CC(=O)c1ccc(Br)s1 ZINC000008818227 569477036 /nfs/dbraw/zinc/47/70/36/569477036.db2.gz FCCJFYYTQAISRK-UHFFFAOYSA-N 0 3 447.402 4.115 50 0 IIAAHN COc1cccc(CN2CCC[C@]3(CCN(Cc4cccn4-c4ccccn4)C3)C2)c1OC ZINC000015068492 569481959 /nfs/dbraw/zinc/48/19/59/569481959.db2.gz ZJWZURQEODWPDR-MHZLTWQESA-N 0 3 446.595 4.378 50 0 IIAAHN O=C(CCN1CCN(CCc2ccccc2)CC1)Nc1ccccc1C(=O)c1ccccc1 ZINC000040025024 569482789 /nfs/dbraw/zinc/48/27/89/569482789.db2.gz XTJVSUUNJBKOOZ-UHFFFAOYSA-N 0 3 441.575 4.107 50 0 IIAAHN Cc1cccc(NC(=O)[C@@H]2CCCN(C[C@H](O)COc3ccc(-c4ccccc4)cc3)C2)n1 ZINC000040149580 569492614 /nfs/dbraw/zinc/49/26/14/569492614.db2.gz GVNMHVVYSJLPOU-RPWUZVMVSA-N 0 3 445.563 4.147 50 0 IIAAHN Cc1cccc(NC(=O)Nc2nc(C(=O)NC3CCN(Cc4ccccc4)CC3)cs2)c1 ZINC000009318892 569522501 /nfs/dbraw/zinc/52/25/01/569522501.db2.gz NBQOGSSBGHDOPZ-UHFFFAOYSA-N 0 3 449.580 4.490 50 0 IIAAHN CCOc1ccc(C(=O)NC(=S)Nc2ccc(N3CCN(CC)CC3)cc2)cc1Cl ZINC000004123073 132270552 /nfs/dbraw/zinc/27/05/52/132270552.db2.gz FZAFBEOJHMUIHE-UHFFFAOYSA-N 0 3 447.004 4.007 50 0 IIAAHN O=C(COc1ccc2ccccc2c1)N1CCC(N2CCN(c3ccccc3)CC2)CC1 ZINC000004712114 132272994 /nfs/dbraw/zinc/27/29/94/132272994.db2.gz LPAHQQYZMRCRQE-UHFFFAOYSA-N 0 3 429.564 4.032 50 0 IIAAHN C[C@@H](NC[C@@H](c1c[nH]c2ccccc21)c1ccccc1)C(=O)N1CC(=O)Nc2ccccc21 ZINC000009782270 132328941 /nfs/dbraw/zinc/32/89/41/132328941.db2.gz PGRLJYCUTGFIBC-WIYYLYMNSA-N 0 3 438.531 4.263 50 0 IIAAHN CC(=O)c1cccc(CN2CCC[C@H](CCC(=O)N3CCN(Cc4ccccc4)CC3)C2)c1 ZINC000012440792 518422572 /nfs/dbraw/zinc/42/25/72/518422572.db2.gz GGGFUHBWIJFDNS-RUZDIDTESA-N 0 3 447.623 4.226 50 0 IIAAHN CC1(C)Cc2c(C(N)=O)c(NC(=O)c3ccc(Br)cc3)sc2C(C)(C)N1 ZINC000012378176 520575140 /nfs/dbraw/zinc/57/51/40/520575140.db2.gz HKERSSICWNFPHG-UHFFFAOYSA-N 0 3 436.375 4.021 50 0 IIAAHN CCOc1cc(CN2CCC[C@H](N3CCN(c4ccc(F)cc4)CC3)C2)ccc1OC ZINC000020774112 520697083 /nfs/dbraw/zinc/69/70/83/520697083.db2.gz JKLKPJRVNABPGT-QHCPKHFHSA-N 0 3 427.564 4.020 50 0 IIAAHN CCN1C(=O)N(C2Cc3ccccc3C2)C(=O)C12CCN(Cc1cc3ccccc3o1)CC2 ZINC000014747618 521524245 /nfs/dbraw/zinc/52/42/45/521524245.db2.gz BGGWAYXQNOXGLQ-UHFFFAOYSA-N 0 3 443.547 4.219 50 0 IIAAHN CN1CCC[C@H](COC(=O)c2cnn3c2nc(-c2ccc(F)cc2)cc3C(F)(F)F)C1 ZINC000021792716 523843077 /nfs/dbraw/zinc/84/30/77/523843077.db2.gz HREWOCHOINHKFB-ZDUSSCGKSA-N 0 3 436.409 4.053 50 0 IIAAHN Cc1cccc(Nc2nc(NC3CCN(Cc4ccccc4)CC3)nc3c2cnn3C)c1 ZINC000021928785 524699679 /nfs/dbraw/zinc/69/96/79/524699679.db2.gz RGHPAKACGGTUQS-UHFFFAOYSA-N 0 3 427.556 4.492 50 0 IIAAHN Cc1ccc([C@@H](CNC(=O)c2cc(-c3ccc(Br)cc3)on2)N(C)C)cc1 ZINC000021805314 525762944 /nfs/dbraw/zinc/76/29/44/525762944.db2.gz UANAYDKZHBNTIO-LJQANCHMSA-N 0 3 428.330 4.445 50 0 IIAAHN Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@H]1N2C(=S)NC(=O)c1ccc(Br)cc1 ZINC000012623253 526193902 /nfs/dbraw/zinc/19/39/02/526193902.db2.gz PIZSXFVKTPLNGH-PKOBYXMFSA-N 0 3 444.398 4.080 50 0 IIAAHN COc1cccc(OC)c1CN1CCC[C@@H](c2ccnc(SCCN3CCCC3)n2)C1 ZINC000012281440 526221977 /nfs/dbraw/zinc/22/19/77/526221977.db2.gz IDPHSKHLOCLGCE-LJQANCHMSA-N 0 3 442.629 4.061 50 0 IIAAHN Cc1sc2ncnc(N[C@H](C)C(=O)NCc3ccccc3CN3CCCCC3)c2c1C ZINC000012602906 526900727 /nfs/dbraw/zinc/90/07/27/526900727.db2.gz JHFSTYOMJBEEMN-QGZVFWFLSA-N 0 3 437.613 4.411 50 0 IIAAHN O=C(CSc1nnc(CCN2CCCCC2)n1Cc1ccccc1)Nc1ccccc1 ZINC000021176709 527083588 /nfs/dbraw/zinc/08/35/88/527083588.db2.gz OQFNFJPVAPTILI-UHFFFAOYSA-N 0 3 435.597 4.086 50 0 IIAAHN O=C(Nc1ccccc1Oc1cccnc1)[C@H]1CCCN(Cc2ccc3nonc3c2)C1 ZINC000012307975 527434259 /nfs/dbraw/zinc/43/42/59/527434259.db2.gz YRSAQZQQNBTXLY-SFHVURJKSA-N 0 3 429.480 4.261 50 0 IIAAHN O=C(NC1CCCC1)c1ccc(OC2CCN(CCCn3cccn3)CC2)c(Cl)c1 ZINC000012718653 527510853 /nfs/dbraw/zinc/51/08/53/527510853.db2.gz FQLKXPWPTFHZNQ-UHFFFAOYSA-N 0 3 430.980 4.142 50 0 IIAAHN Cc1cccc(S(=O)(=O)N(c2ccc3c(c2)OCO3)C2CCN(CC(C)C)CC2)c1 ZINC000034683861 555819404 /nfs/dbraw/zinc/81/94/04/555819404.db2.gz YCUXWZDOKLYHTG-UHFFFAOYSA-N 0 3 430.570 4.039 50 0 IIAAHN CN(C)CCCN1C(=O)c2oc3ccc(Br)cc3c(=O)c2[C@H]1c1ccccc1 ZINC000002890449 555859574 /nfs/dbraw/zinc/85/95/74/555859574.db2.gz IFDQTFHJXVXPEW-LJQANCHMSA-N 0 3 441.325 4.052 50 0 IIAAHN C[C@@H]1CN(C(=O)c2nc3sccn3c2CN2C[C@]3(C)C[C@H]2CC(C)(C)C3)C[C@H](C)O1 ZINC000011817993 556360438 /nfs/dbraw/zinc/36/04/38/556360438.db2.gz IFIOJAIGUMFCMJ-BMCPXHGSSA-N 0 3 430.618 4.046 50 0 IIAAHN COc1cccc(CN2CCC[C@@H](CCC(=O)NCc3ccc(OC)cc3OC)C2)c1 ZINC000011843103 556366312 /nfs/dbraw/zinc/36/63/12/556366312.db2.gz VZGCQNMMVPAGLU-IBGZPJMESA-N 0 3 426.557 4.021 50 0 IIAAHN COc1cc(OC)c(OC)cc1CN(C)C[C@@H]1CCCN(CCc2ccccc2F)C1 ZINC000011843239 556366394 /nfs/dbraw/zinc/36/63/94/556366394.db2.gz OKCRNVPJYIMWSF-IBGZPJMESA-N 0 3 430.564 4.238 50 0 IIAAHN CN1CCCN(C(=O)[C@H]2CC23CCN(Cc2cccc(Oc4ccccc4)c2)CC3)CC1 ZINC000012028137 556388032 /nfs/dbraw/zinc/38/80/32/556388032.db2.gz UBNUXBIWYOHUHO-RUZDIDTESA-N 0 3 433.596 4.245 50 0 IIAAHN CCN(CC)CCN(C(=O)c1ccc(C(=O)OC)cc1)c1nc2c(cccc2C)s1 ZINC000004359465 556409330 /nfs/dbraw/zinc/40/93/30/556409330.db2.gz VHERTXGXMSSUFP-UHFFFAOYSA-N 0 3 425.554 4.380 50 0 IIAAHN Cc1ccc(OC[C@H]2C[C@@H](C(=O)NCCc3ccccc3)CN(Cc3ccccc3)C2)cn1 ZINC000014743960 556440024 /nfs/dbraw/zinc/44/00/24/556440024.db2.gz SMRYTRVGSMCRQV-IZZNHLLZSA-N 0 3 443.591 4.266 50 0 IIAAHN C[C@@H]1CCCN(Cc2cc(-c3ccc4c(c3)OCO4)ccc2OCC(=O)N2CCCC2)C1 ZINC000014969726 556466812 /nfs/dbraw/zinc/46/68/12/556466812.db2.gz HIHWBVSTWFUZIB-LJQANCHMSA-N 0 3 436.552 4.315 50 0 IIAAHN C[C@@H](NC(=O)c1ccc(OC2CCN(CCc3ccccc3)CC2)cc1)c1ccncn1 ZINC000014978976 556469971 /nfs/dbraw/zinc/46/99/71/556469971.db2.gz LCZODDUEERLERA-HXUWFJFHSA-N 0 3 430.552 4.054 50 0 IIAAHN CCC(CC)CN1CCN(c2cccc3c2C(=O)N(CCc2cccc(F)c2)C3=O)CC1 ZINC000015005752 556481534 /nfs/dbraw/zinc/48/15/34/556481534.db2.gz LWUWWPRVPANDTM-UHFFFAOYSA-N 0 3 437.559 4.223 50 0 IIAAHN CC(C)(C)[C@H](CN1CCc2ccccc2C1)NC(=O)Nc1ccc(C(=O)NC2CC2)cc1 ZINC000072289416 556485228 /nfs/dbraw/zinc/48/52/28/556485228.db2.gz USNZDECHRMSVRC-QHCPKHFHSA-N 0 3 434.584 4.173 50 0 IIAAHN Cc1ccc(NC(=O)N2CCN(c3cc(N4CCCCC4)nc(C)n3)CC2)c(Cl)c1 ZINC000033326826 556561590 /nfs/dbraw/zinc/56/15/90/556561590.db2.gz FGGKNJSHFXTHTH-UHFFFAOYSA-N 0 3 428.968 4.091 50 0 IIAAHN COc1cc2c(cc1OC)[C@@H](C)N(CCN1CCc3cc(OC)c(OC)cc3[C@H]1C)CC2 ZINC000239377978 556583537 /nfs/dbraw/zinc/58/35/37/556583537.db2.gz OIOVENDQAWCFQH-QZTJIDSGSA-N 0 3 440.584 4.259 50 0 biogenic IIAAHN O=C(c1nc2ccc(Cl)cn2c1CNCCc1ccccn1)N1CCCCCCC1 ZINC000019334495 556737792 /nfs/dbraw/zinc/73/77/92/556737792.db2.gz OVLVPJUXWZMKST-UHFFFAOYSA-N 0 3 425.964 4.121 50 0 IIAAHN O=C(CC1C(=O)N(C2CCCCC2)c2nc3ccccc3n21)Nc1ccc2c(c1)OCO2 ZINC000019817433 556920215 /nfs/dbraw/zinc/92/02/15/556920215.db2.gz KAUHKJPFTAVXCA-IBGZPJMESA-N 0 3 432.480 4.014 50 0 IIAAHN COc1cccc(CNCCN2CCOCC2)c1OCc1ccc(Cl)cc1Cl ZINC000019872244 556935355 /nfs/dbraw/zinc/93/53/55/556935355.db2.gz HQMDSFZGBUKMTE-UHFFFAOYSA-N 0 3 425.356 4.003 50 0 IIAAHN COc1cc(CNCCN2CCOCC2)ccc1OCc1ccc(Cl)cc1Cl ZINC000019922778 556943919 /nfs/dbraw/zinc/94/39/19/556943919.db2.gz NOEWXKXWASRWJB-UHFFFAOYSA-N 0 3 425.356 4.003 50 0 IIAAHN CCc1ccc(NC(=O)CC2C(=O)N(Cc3cccnc3)c3nc4ccccc4n32)cc1 ZINC000019962102 556955605 /nfs/dbraw/zinc/95/56/05/556955605.db2.gz MWICLNJTZDKZFY-QFIPXVFZSA-N 0 3 425.492 4.110 50 0 IIAAHN COCCCN1C(=O)C(CC(=O)Nc2ccccc2C(F)(F)F)n2c3ccccc3nc21 ZINC000020103429 556981119 /nfs/dbraw/zinc/98/11/19/556981119.db2.gz SEVQNGSQWVQQCF-SFHVURJKSA-N 0 3 446.429 4.008 50 0 IIAAHN CCOC(=O)c1c(C)c(-c2ccccc2)n(CC(=O)NCCN2CCCC[C@H]2CC)c1C ZINC000020356104 557010327 /nfs/dbraw/zinc/01/03/27/557010327.db2.gz GBPHNLAERCYAQR-JOCHJYFZSA-N 0 3 439.600 4.329 50 0 IIAAHN CCOC(=O)c1[nH]c(C)c(CCC(=O)NCC2CCN(Cc3ccc(C)cc3)CC2)c1C ZINC000046046074 557025710 /nfs/dbraw/zinc/02/57/10/557025710.db2.gz JIQGYCJEHNOEGT-UHFFFAOYSA-N 0 3 439.600 4.078 50 0 IIAAHN COc1ccccc1NC(=O)CC1C(=O)N(Cc2ccc(C)cc2)c2nc3ccccc3n21 ZINC000023382103 557089180 /nfs/dbraw/zinc/08/91/80/557089180.db2.gz KMNFOXYPTGZHDE-QFIPXVFZSA-N 0 3 440.503 4.470 50 0 IIAAHN O=C(CC1C(=O)N(C[C@@H]2CCCO2)c2nc3ccccc3n21)Nc1cccc2ccccc21 ZINC000023382307 557089622 /nfs/dbraw/zinc/08/96/22/557089622.db2.gz DCFDFPVSRRPJKH-MBSDFSHPSA-N 0 3 440.503 4.285 50 0 IIAAHN O=C(CC1C(=O)N(Cc2ccccn2)c2nc3ccccc3n21)Nc1cccc(Cl)c1 ZINC000023382397 557089935 /nfs/dbraw/zinc/08/99/35/557089935.db2.gz HBDPUILPIKCGTM-FQEVSTJZSA-N 0 3 431.883 4.201 50 0 IIAAHN O=C(CC1C(=O)N(Cc2cccnc2)c2nc3ccccc3n21)Nc1ccc(F)c(Cl)c1 ZINC000023411332 557091325 /nfs/dbraw/zinc/09/13/25/557091325.db2.gz IZCAUPNBKABQSU-FQEVSTJZSA-N 0 3 449.873 4.341 50 0 IIAAHN C/C(=C\c1ccco1)CN1CCC2(CC1)C(=O)N(Cc1ccccn1)C(=O)N2CC(C)C ZINC000014539313 557340529 /nfs/dbraw/zinc/34/05/29/557340529.db2.gz QMYKYQLWJUHTOQ-HMMYKYKNSA-N 0 3 436.556 4.033 50 0 IIAAHN COc1ccc([C@@H]2N(c3ccccc3)OC3C(=O)N(c4ccc(F)cc4)C(=O)[C@]32C)cc1 ZINC000102663011 557362083 /nfs/dbraw/zinc/36/20/83/557362083.db2.gz NMDGAVCPYORKSW-HWBMXIPRSA-N 0 3 432.451 4.276 50 0 IIAAHN CCc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4cccc(OC)c4)[C@H]3C2=O)cc1 ZINC000102706440 557366434 /nfs/dbraw/zinc/36/64/34/557366434.db2.gz ZOJIDIFKCOZITF-WXFUMESZSA-N 0 3 428.488 4.309 50 0 IIAAHN COc1ccc([C@@H](c2c(O)cc(C)n(Cc3ccccn3)c2=O)N2CCC(C)CC2)cc1 ZINC000024023047 557391663 /nfs/dbraw/zinc/39/16/63/557391663.db2.gz MEMRLHPCFNFNGS-VWLOTQADSA-N 0 3 433.552 4.136 50 0 IIAAHN COc1ccc(N2C(=O)C3ON(c4ccc(Cl)cc4)[C@@H](c4ccccc4)[C@@H]3C2=O)cc1 ZINC000102861353 557402286 /nfs/dbraw/zinc/40/22/86/557402286.db2.gz WMUKCJWSARQGPN-FDFHNCONSA-N 0 3 434.879 4.400 50 0 IIAAHN Cc1ccc2c(c1)[C@H]1CN(C)CC[C@H]1N2C(=S)NC(=O)c1ccc(Br)cc1 ZINC000104093406 557450022 /nfs/dbraw/zinc/45/00/22/557450022.db2.gz PIZSXFVKTPLNGH-IEBWSBKVSA-N 0 3 444.398 4.080 50 0 IIAAHN CN(CCCNC(=O)C[C@H](NC(=O)c1ccccc1)c1ccccc1)Cc1ccccc1 ZINC000045861791 557545881 /nfs/dbraw/zinc/54/58/81/557545881.db2.gz SEIALAUEUGMJGT-VWLOTQADSA-N 0 3 429.564 4.186 50 0 IIAAHN O=C(/C=C\c1cn(-c2ccccc2)nc1-c1cccs1)N1CCN(c2ccncc2)CC1 ZINC000064585880 563156472 /nfs/dbraw/zinc/15/64/72/563156472.db2.gz KXGNETQDDYBLBM-HJWRWDBZSA-N 0 3 441.560 4.358 50 0 IIAAHN Cc1cccc(-n2cc(CN3CCN(C4CCN(C)CC4)CC3)c(-c3cccc(F)c3)n2)c1 ZINC000023374279 568613770 /nfs/dbraw/zinc/61/37/70/568613770.db2.gz FNTOPBRRVPWDRF-UHFFFAOYSA-N 0 3 447.602 4.199 50 0 IIAAHN CCN1CCN(c2ccc(NC(=O)/C=C/c3cc4c(c(Cl)c3)OCO4)c(C)c2)CC1 ZINC000025187412 568648333 /nfs/dbraw/zinc/64/83/33/568648333.db2.gz CDHALRGFVDOTIG-QPJJXVBHSA-N 0 3 427.932 4.171 50 0 IIAAHN CCN(CC(=O)NCCc1ccc(OC(F)F)cc1)[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000063510787 568740417 /nfs/dbraw/zinc/74/04/17/568740417.db2.gz GRNQZDWHNFCKSF-KNQAVFIVSA-N 0 3 445.554 4.104 50 0 IIAAHN CSc1ccccc1CN1CCC(CNS(=O)(=O)c2ccccc2Cl)CC1 ZINC000043959548 568744437 /nfs/dbraw/zinc/74/44/37/568744437.db2.gz ZVCMEBNGVIIFRJ-UHFFFAOYSA-N 0 3 425.019 4.252 50 0 IIAAHN CCCCc1ccc([C@@H](NCC(=O)Nc2cc(S(C)(=O)=O)ccc2F)C(C)C)cc1 ZINC000084746840 568800821 /nfs/dbraw/zinc/80/08/21/568800821.db2.gz ZRLYVRUNVMHLNX-QHCPKHFHSA-N 0 3 434.577 4.497 50 0 IIAAHN CCOC(=O)c1c(NC(=O)c2cccc(OC)c2OC)sc2c1CC(C)(C)NC2(C)C ZINC000016047580 568869063 /nfs/dbraw/zinc/86/90/63/568869063.db2.gz VJJUFLVAEAQNDU-UHFFFAOYSA-N 0 3 446.569 4.354 50 0 IIAAHN CCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc(C)cc4)[C@H]3C2=O)cc1 ZINC000239274906 568910961 /nfs/dbraw/zinc/91/09/61/568910961.db2.gz AWTVSNZKEXJBJA-WXFUMESZSA-N 0 3 428.488 4.445 50 0 IIAAHN O=C1C2ON(c3ccccc3)[C@@H](c3cccnc3)[C@@H]2C(=O)N1c1ccc(Cl)c(Cl)c1 ZINC000169296528 568931297 /nfs/dbraw/zinc/93/12/97/568931297.db2.gz FYHTYUXWMHZIRA-SLFFLAALSA-N 0 3 440.286 4.440 50 0 IIAAHN COCCNC(=O)C1CCN(Cc2cc3ccccc3n2Cc2ccc(Cl)cc2)CC1 ZINC000064666595 568942679 /nfs/dbraw/zinc/94/26/79/568942679.db2.gz JRQRPEGINUHKTP-UHFFFAOYSA-N 0 3 439.987 4.318 50 0 IIAAHN CCc1cc(C(=O)NC2CCN(Cc3ccccc3)CC2)nc2cc(-c3ccsc3)nn21 ZINC000064760379 568952229 /nfs/dbraw/zinc/95/22/29/568952229.db2.gz SXZSJJKMDUWVQJ-UHFFFAOYSA-N 0 3 445.592 4.415 50 0 IIAAHN Cc1ccc(OC[C@H]2c3ccsc3CCN2C(=O)CN(CCC(C)C)C[C@@H](C)O)cc1 ZINC000036309168 568995965 /nfs/dbraw/zinc/99/59/65/568995965.db2.gz UFQXTZFKTJRBJN-OFNKIYASSA-N 0 3 444.641 4.290 50 0 IIAAHN COc1ccc([C@@H]2CC(c3cc(Cl)ccc3[O-])=NC3(CC[NH+](C)CC3)N2)cc1OC ZINC000065298574 569132126 /nfs/dbraw/zinc/13/21/26/569132126.db2.gz RETABJDKAPIOHC-SFHVURJKSA-N 0 3 429.948 4.008 50 0 biogenic IIAAHN C[C@H](C(=O)NC[C@H](c1ccccc1)N1CCC(C)CC1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000170600662 569142942 /nfs/dbraw/zinc/14/29/42/569142942.db2.gz NWQBDNPULUSROZ-SIKLNZKXSA-N 0 3 429.605 4.079 50 0 IIAAHN O=C(NC[C@@H]1CCCN(Cc2ccc(OC[C@@H]3CCCO3)cc2)C1)Nc1cccc(F)c1 ZINC000089779333 569162778 /nfs/dbraw/zinc/16/27/78/569162778.db2.gz BYCCIOMJJFAVHW-RDPSFJRHSA-N 0 3 441.547 4.417 50 0 IIAAHN CC1CCN([C@H](CNC(=O)[C@H]2CCCN2C(=O)C2CCCCC2)c2cccs2)CC1 ZINC000089929954 569167992 /nfs/dbraw/zinc/16/79/92/569167992.db2.gz ZUKLWBIQPNHTTL-NHCUHLMSSA-N 0 3 431.646 4.209 50 0 IIAAHN Cc1cccc(-n2nc3nc(NCCN4CCCCC4)nc(-c4ccsc4)c3c2N)c1 ZINC000037376839 569185597 /nfs/dbraw/zinc/18/55/97/569185597.db2.gz JQTCPQLJIUEYKX-UHFFFAOYSA-N 0 3 433.585 4.332 50 0 IIAAHN Cc1ccc(C(=O)N(Cc2ccccc2)c2cccc(CC(=O)NCCN(C)C)c2)cc1 ZINC000037600846 569202268 /nfs/dbraw/zinc/20/22/68/569202268.db2.gz MVYLSBGSIIAPIC-UHFFFAOYSA-N 0 3 429.564 4.062 50 0 IIAAHN CC(C)c1noc([C@@]23CCC[C@@H]2CN(Cc2c(Cl)cccc2N2CCOCC2)C3)n1 ZINC000253424465 569267089 /nfs/dbraw/zinc/26/70/89/569267089.db2.gz GNCQLAOMLJXSPD-UZUQRXQVSA-N 0 3 430.980 4.237 50 0 IIAAHN CCOC(=O)c1ccc(NC(=O)c2cc3cc4c5c(c3oc2=N)CCCN5CCC4)cc1 ZINC000020237351 569357491 /nfs/dbraw/zinc/35/74/91/569357491.db2.gz YDBLDQYZQAKPKE-UHFFFAOYSA-N 0 3 431.492 4.040 50 0 IIAAHN CCN(C(=O)Nc1ccccc1N1C[C@@H](C)O[C@@H](C)C1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000095942634 569375558 /nfs/dbraw/zinc/37/55/58/569375558.db2.gz ALGDMLUEZYZRDO-XJUOHMSHSA-N 0 3 436.600 4.429 50 0 IIAAHN CCOc1cccc([C@@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2CCCN(C)C)c1 ZINC000002890311 569424447 /nfs/dbraw/zinc/42/44/47/569424447.db2.gz NQEGKRZVOBTSBV-OAQYLSRUSA-N 0 3 440.927 4.342 50 0 IIAAHN Cc1ccc(CN(CCN(C)C)C(=O)c2cc(-c3ccccc3)nc3c2c(C)nn3C)o1 ZINC000058062580 569446448 /nfs/dbraw/zinc/44/64/48/569446448.db2.gz SOMFGKZCQIRGPX-UHFFFAOYSA-N 0 3 431.540 4.049 50 0 IIAAHN COc1cc2c(cc1Br)n(-c1ccccc1)c(C)c2C(=O)OCCN(C)C ZINC000008846679 569479142 /nfs/dbraw/zinc/47/91/42/569479142.db2.gz XDXHWMYEZABKKV-UHFFFAOYSA-N 0 3 431.330 4.428 50 0 IIAAHN COc1ccc2c(C)c(CCC(=O)NC3CCN(Cc4ccccc4)CC3)c(=O)oc2c1C ZINC000009510920 569542832 /nfs/dbraw/zinc/54/28/32/569542832.db2.gz NBPQCKAGIFPCAG-UHFFFAOYSA-N 0 3 448.563 4.132 50 0 IIAAHN CCN(CC)CCN(C(=O)c1ccc2c(c1)OCCO2)c1nc2c(cc(F)cc2F)s1 ZINC000010067439 569577641 /nfs/dbraw/zinc/57/76/41/569577641.db2.gz GXTPVKOVGPMLJZ-UHFFFAOYSA-N 0 3 447.507 4.334 50 0 IIAAHN Cc1cccc(N2CCN(C(=O)NC[C@H](c3cccs3)N3CCC(C)CC3)CC2)c1 ZINC000008394922 132281505 /nfs/dbraw/zinc/28/15/05/132281505.db2.gz IJMZZPDLHNAWTE-JOCHJYFZSA-N 0 3 426.630 4.361 50 0 IIAAHN C[C@@H](c1nccs1)N1C(=O)c2cccc(N3CCN(C4CCCCCC4)CC3)c2C1=O ZINC000011787375 132339874 /nfs/dbraw/zinc/33/98/74/132339874.db2.gz ILGYTTZKVPPRNY-KRWDZBQOSA-N 0 3 438.597 4.345 50 0 IIAAHN CC(C)[C@@H](NC(=O)Cc1ccccc1)C(=O)NC[C@H](c1cccs1)N1CCC(C)CC1 ZINC000012820862 519797322 /nfs/dbraw/zinc/79/73/22/519797322.db2.gz ZOKNLQYDMSFACC-ZJSXRUAMSA-N 0 3 441.641 4.021 50 0 IIAAHN CC(C)[C@H](NC(=O)Cc1ccccc1)C(=O)NC[C@@H](c1cccs1)N1CCC(C)CC1 ZINC000012820844 519818865 /nfs/dbraw/zinc/81/88/65/519818865.db2.gz ZOKNLQYDMSFACC-URXFXBBRSA-N 0 3 441.641 4.021 50 0 IIAAHN CC(C)c1c(C(=O)NCc2ccc(CN(C)C)cc2)cnn1-c1ccc(C(F)(F)F)cn1 ZINC000036760650 519830752 /nfs/dbraw/zinc/83/07/52/519830752.db2.gz KKJIHZDIVJXGND-UHFFFAOYSA-N 0 3 445.489 4.401 50 0 IIAAHN CCOC(=O)C1(C[C@H]2CCCCO2)CCN(Cc2ccc(CN3CCCC3)s2)CC1 ZINC000014950687 520463498 /nfs/dbraw/zinc/46/34/98/520463498.db2.gz YQLMGNCOBYCJTA-HXUWFJFHSA-N 0 3 434.646 4.448 50 0 IIAAHN CC1CCN([C@@H](CNC(=O)C[C@@H]2Sc3ccccc3NC2=O)c2cccs2)CC1 ZINC000022681259 521033727 /nfs/dbraw/zinc/03/37/27/521033727.db2.gz COUNIRGUQMOSEW-PXNSSMCTSA-N 0 3 429.611 4.140 50 0 IIAAHN CCOc1ccccc1CN1CCC(n2nccc2NC(=O)[C@@H](OC)c2ccccc2)CC1 ZINC000012297626 521484853 /nfs/dbraw/zinc/48/48/53/521484853.db2.gz FMYNOKRZMWGFLE-VWLOTQADSA-N 0 3 448.567 4.445 50 0 IIAAHN CCN1[C@@H](c2ccc(Cl)cc2)[C@@H](CNCc2c(OC)cccc2OC)C[C@@]1(C)CO ZINC000012760764 521730264 /nfs/dbraw/zinc/73/02/64/521730264.db2.gz MNNQNCHEJVAVJS-DKLXNKCPSA-N 0 3 432.992 4.281 50 0 IIAAHN CN(C[C@H]1CCCCO1)C(=O)c1ccc(OC2CCN(CCc3ccccc3)CC2)cc1 ZINC000012586227 523108586 /nfs/dbraw/zinc/10/85/86/523108586.db2.gz IOAYDVDREFLQSZ-AREMUKBSSA-N 0 3 436.596 4.414 50 0 IIAAHN COc1ccc(-c2nn(-c3ccccc3)cc2CNCCSc2nccn2C)c(F)c1 ZINC000012447102 523245572 /nfs/dbraw/zinc/24/55/72/523245572.db2.gz ZFAAVFUSHPNQHS-UHFFFAOYSA-N 0 3 437.544 4.302 50 0 IIAAHN CCn1cc(CN2CCC(C(=O)N3CCN(c4ccccc4)CC3)CC2)c2ccccc21 ZINC000035562285 523368880 /nfs/dbraw/zinc/36/88/80/523368880.db2.gz SJMUJGSOQCCTDH-UHFFFAOYSA-N 0 3 430.596 4.222 50 0 IIAAHN COc1ccc(C(=O)Nc2ccnn2C2CCN([C@@H](C)COc3ccccc3)CC2)cc1 ZINC000012590066 523760066 /nfs/dbraw/zinc/76/00/66/523760066.db2.gz PBYRGRLCYRZIMU-IBGZPJMESA-N 0 3 434.540 4.248 50 0 IIAAHN COc1ccc(CN2CCC(n3nccc3NC(=O)[C@H](OC)c3ccccc3)CC2)cc1 ZINC000012387519 524025498 /nfs/dbraw/zinc/02/54/98/524025498.db2.gz LLJUCVISCTZXDA-XMMPIXPASA-N 0 3 434.540 4.055 50 0 IIAAHN Cc1cccc(-n2nc3nc(NCCN4CCCCC4)nc(-c4ccccc4)c3c2N)c1 ZINC000035929573 524147213 /nfs/dbraw/zinc/14/72/13/524147213.db2.gz MWSYCIKSYOZSNT-UHFFFAOYSA-N 0 3 427.556 4.271 50 0 IIAAHN C[C@H](CCn1cccn1)NCc1c(C(=O)N2CCCCCCC2)nc2ccc(Cl)cn21 ZINC000012446955 524266164 /nfs/dbraw/zinc/26/61/64/524266164.db2.gz ZWRPIEKLALQDQP-GOSISDBHSA-N 0 3 442.995 4.159 50 0 IIAAHN Cc1ccc(CCC(=O)N2CCOc3ccc(CN(C)CCc4ccccn4)cc3C2)cc1 ZINC000012155397 524288691 /nfs/dbraw/zinc/28/86/91/524288691.db2.gz YYOZQBSYFHWDPC-UHFFFAOYSA-N 0 3 443.591 4.418 50 0 IIAAHN Cc1ccc(CN2C[C@@H]3C[C@@H](c4c(C)cc(C)cc4-n4cccn4)N4CCC[C@@]34C2=O)o1 ZINC000012297201 524479811 /nfs/dbraw/zinc/47/98/11/524479811.db2.gz UPXKUFZRRIMPJZ-YBXDKENTSA-N 0 3 430.552 4.329 50 0 IIAAHN Cc1ccc(CNC2CCN(c3ccc(CC(=O)NCCc4cccc(F)c4)cc3)CC2)o1 ZINC000012148895 524573850 /nfs/dbraw/zinc/57/38/50/524573850.db2.gz JWJUIOIZKGCRFN-UHFFFAOYSA-N 0 3 449.570 4.387 50 0 IIAAHN COc1ccc([C@@H](CNC(=O)/C=C/c2csc(-c3ccc(F)cc3)n2)N(C)C)cc1 ZINC000012925252 525179160 /nfs/dbraw/zinc/17/91/60/525179160.db2.gz FAQYCPLGBUCWFW-QYFOZDBKSA-N 0 3 425.529 4.390 50 0 IIAAHN C[C@@H](c1ccc(-n2cncn2)cc1)N(C)C[C@@H](O)COc1ccc(-c2ccccc2)cc1 ZINC000022241942 526037701 /nfs/dbraw/zinc/03/77/01/526037701.db2.gz CYLQRASCHMCPPP-NBGIEHNGSA-N 0 3 428.536 4.367 50 0 IIAAHN O=C(c1ccc(Cl)cc1OC1CCN(CCCn2cccn2)CC1)N1CCCCC1 ZINC000012589933 526680064 /nfs/dbraw/zinc/68/00/64/526680064.db2.gz QQWPDIFNTGWXHZ-UHFFFAOYSA-N 0 3 430.980 4.096 50 0 IIAAHN O=C(c1ccc(OC2CCN(Cc3cccc(-n4cccn4)c3)CC2)cc1)N1CCCC1 ZINC000012209281 526708517 /nfs/dbraw/zinc/70/85/17/526708517.db2.gz INOXTUVAGSBGGK-UHFFFAOYSA-N 0 3 430.552 4.152 50 0 IIAAHN O=C(COc1ccc(-c2ncccn2)cc1CN1CCCCCC1)NCc1ccc(F)cc1 ZINC000012243994 526945550 /nfs/dbraw/zinc/94/55/50/526945550.db2.gz LYUAWTNKAAUXNB-UHFFFAOYSA-N 0 3 448.542 4.354 50 0 IIAAHN Nc1c2c(nn1-c1cccc(F)c1)nc(NCCN1CCCCC1)nc2-c1ccc(F)cc1 ZINC000035930132 527438210 /nfs/dbraw/zinc/43/82/10/527438210.db2.gz IAFJOQLYWBRATF-UHFFFAOYSA-N 0 3 449.509 4.241 50 0 IIAAHN Cn1ccnc1[C@@H]1CCCCN1C(=O)CCN1Cc2ccccc2O[C@H](c2ccccc2)C1 ZINC000012246619 527456857 /nfs/dbraw/zinc/45/68/57/527456857.db2.gz YODDBIWSIATSSP-ZCYQVOJMSA-N 0 3 444.579 4.500 50 0 IIAAHN Cc1ccsc1CN1CCN(c2nc3ccccc3c3nnc(-c4ccco4)n32)CC1 ZINC000034707969 555822520 /nfs/dbraw/zinc/82/25/20/555822520.db2.gz JEUMFFCYYPTTNA-UHFFFAOYSA-N 0 3 430.537 4.230 50 0 IIAAHN COc1ccccc1CN1CCC(CN(CC(C)C)C(=O)Cc2csc(C)n2)CC1 ZINC000011662096 556343607 /nfs/dbraw/zinc/34/36/07/556343607.db2.gz VOLPTPPYYYQDBO-UHFFFAOYSA-N 0 3 429.630 4.399 50 0 IIAAHN O=C1NC(=O)[C@@](CCCc2ccccc2)(C2CCN(Cc3ccc4cccnc4c3)CC2)N1 ZINC000011790215 556355248 /nfs/dbraw/zinc/35/52/48/556355248.db2.gz WTJGCCPFVLPQDF-HHHXNRCGSA-N 0 3 442.563 4.048 50 0 IIAAHN Cc1cccc(CNC(=O)[C@@H]2CC23CCN(Cc2cnc(-c4ccccc4)s2)CC3)n1 ZINC000011840816 556365184 /nfs/dbraw/zinc/36/51/84/556365184.db2.gz LVVBEEGTBWBDSB-QFIPXVFZSA-N 0 3 432.593 4.432 50 0 IIAAHN CC(C)[C@@H](NC(=O)c1ccccc1Cl)C(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000014200468 556390905 /nfs/dbraw/zinc/39/09/05/556390905.db2.gz AVGOSSNFJRKQDU-FGZHOGPDSA-N 0 3 427.976 4.048 50 0 IIAAHN COc1ccc(CNC2(c3ccccc3)CC2)cc1OC[C@H](O)CN(C)Cc1ccccc1 ZINC000012051539 556392644 /nfs/dbraw/zinc/39/26/44/556392644.db2.gz SUDQJEZTBWPIQL-RUZDIDTESA-N 0 3 446.591 4.346 50 0 IIAAHN CC(C)c1noc(-c2ccc(OCC(=O)NC3CCN(Cc4ccccc4)CC3)cc2)n1 ZINC000032579080 556406097 /nfs/dbraw/zinc/40/60/97/556406097.db2.gz OQCYFIASIUIWNJ-UHFFFAOYSA-N 0 3 434.540 4.020 50 0 IIAAHN CC(C)CCOc1ccc(CN(CC(C)(C)N(C)C)S(=O)(=O)c2cccnc2)cc1 ZINC000072272303 556444270 /nfs/dbraw/zinc/44/42/70/556444270.db2.gz ROQONKSDXBRRMJ-UHFFFAOYSA-N 0 3 433.618 4.038 50 0 IIAAHN CCc1ccc([C@@H](CNC(=O)c2cc(-c3ccc4c(c3)OCCO4)on2)N2CCCC2)cc1 ZINC000028293181 556451075 /nfs/dbraw/zinc/45/10/75/556451075.db2.gz MKXDTMCXYRLPSV-JOCHJYFZSA-N 0 3 447.535 4.242 50 0 IIAAHN CCOC(=O)C1(C[C@@H]2CCCCO2)CCN(Cc2ccc(CN3CCCC3)s2)CC1 ZINC000014950684 556460769 /nfs/dbraw/zinc/46/07/69/556460769.db2.gz YQLMGNCOBYCJTA-FQEVSTJZSA-N 0 3 434.646 4.448 50 0 IIAAHN CCOc1ccc(NC(=O)c2c(NC(=O)CNC(C)C)sc3c2CC[C@@H](C)C3)cc1 ZINC000004554388 556503164 /nfs/dbraw/zinc/50/31/64/556503164.db2.gz PUDQSBBFMASZRQ-OAHLLOKOSA-N 0 3 429.586 4.460 50 0 IIAAHN COc1cc2c(cc1OC)[C@H](C)N(CCN1CCc3cc(OC)c(OC)cc3[C@@H]1C)CC2 ZINC000023352900 556579741 /nfs/dbraw/zinc/57/97/41/556579741.db2.gz OIOVENDQAWCFQH-ROUUACIJSA-N 0 3 440.584 4.259 50 0 biogenic IIAAHN Cc1nc(-c2ccccc2)nc(N2CCN(C[C@@H](O)C(C)C)CC2)c1Cc1ccccc1 ZINC000036340451 556627798 /nfs/dbraw/zinc/62/77/98/556627798.db2.gz FGXGFAGQWNRBKV-RUZDIDTESA-N 0 3 430.596 4.182 50 0 IIAAHN O[C@@H](Cn1c2ccccc2c2ccccc21)CN1CCN(C/C=C/c2ccccc2)CC1 ZINC000019313126 556735643 /nfs/dbraw/zinc/73/56/43/556735643.db2.gz IFHXPTNRJZKDAL-NOENIZQJSA-N 0 3 425.576 4.486 50 0 IIAAHN CCCN1CCN(c2ncnc3sc(C(=O)NCc4cc(C)ccc4C)c(C)c32)CC1 ZINC000033048473 556745046 /nfs/dbraw/zinc/74/50/46/556745046.db2.gz ZBZHEEOKGDGRHA-UHFFFAOYSA-N 0 3 437.613 4.079 50 0 IIAAHN O=C(c1cnn(-c2cccc(C(F)(F)F)c2)c1C(F)(F)F)N1CC[C@H](N2CCCC2)C1 ZINC000060374128 556807384 /nfs/dbraw/zinc/80/73/84/556807384.db2.gz IWCIRRKOPQNAOS-HNNXBMFYSA-N 0 3 446.395 4.220 50 0 IIAAHN CN1CCN(c2ccc(NC(=O)C3CCN(Cc4c(F)cccc4Cl)CC3)cc2)CC1 ZINC000067612684 556844359 /nfs/dbraw/zinc/84/43/59/556844359.db2.gz LDAPWFQOZNLSAB-UHFFFAOYSA-N 0 3 444.982 4.082 50 0 IIAAHN Cc1c(CN[C@@H]2CCCN(Cc3ccc(CC(C)C)cc3)C2)c(=O)n(-c2ccccc2)n1C ZINC000020234703 557001936 /nfs/dbraw/zinc/00/19/36/557001936.db2.gz GWRHBECGUVLAJA-RUZDIDTESA-N 0 3 446.639 4.437 50 0 IIAAHN CN(CCN1CCOCC1)Cc1cn(Cc2ccccc2)nc1-c1cc2ccccc2o1 ZINC000020295590 557006366 /nfs/dbraw/zinc/00/63/66/557006366.db2.gz CPWCBNUMQRUBBO-UHFFFAOYSA-N 0 3 430.552 4.109 50 0 IIAAHN CCN(CC)CCN(C(=O)[C@@H]1COc2ccccc2O1)c1nc2c(cc(F)cc2F)s1 ZINC000013958428 557014857 /nfs/dbraw/zinc/01/48/57/557014857.db2.gz TYTZYUBKEOUVLM-SFHVURJKSA-N 0 3 447.507 4.089 50 0 IIAAHN Cc1nn(-c2ccc(F)cc2)c2c1C(C(=O)c1ccc(Br)cc1)CC(=O)N2 ZINC000046057656 557029105 /nfs/dbraw/zinc/02/91/05/557029105.db2.gz NGSQCWPIBNPZHB-MRXNPFEDSA-N 0 3 428.261 4.391 50 0 IIAAHN CC(C)Cn1cc(C(=O)NCCN(C)Cc2ccccc2)c2c3ccccc3n(C)c2c1=O ZINC000004789083 557120343 /nfs/dbraw/zinc/12/03/43/557120343.db2.gz YSEHQWXEBNQRLM-UHFFFAOYSA-N 0 3 444.579 4.011 50 0 IIAAHN CCOc1ccccc1NC(=O)N(Cc1ccc2c(c1)OCO2)C1CCN(CC)CC1 ZINC000006877627 557138280 /nfs/dbraw/zinc/13/82/80/557138280.db2.gz YPIBXGYVVOEXRS-UHFFFAOYSA-N 0 3 425.529 4.332 50 0 IIAAHN COc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)C3ON2c2ccccc2)cc1 ZINC000018032083 557230718 /nfs/dbraw/zinc/23/07/18/557230718.db2.gz OJWSVBCPLATMAB-VSKRKVRLSA-N 0 3 434.879 4.400 50 0 IIAAHN C[C@@H]1CCCCN1CCNC(=O)Cn1ccc2c1ccnc2SCc1ccc(F)cc1 ZINC000033298588 557330645 /nfs/dbraw/zinc/33/06/45/557330645.db2.gz PTQQEZGBJTZVQF-GOSISDBHSA-N 0 3 440.588 4.458 50 0 IIAAHN COc1ccc2sc(N(Cc3cccnc3)C(=O)C3COc4ccccc4O3)nc2c1 ZINC000008601588 562955441 /nfs/dbraw/zinc/95/54/41/562955441.db2.gz ZPKBFECDTWNDDG-HXUWFJFHSA-N 0 3 433.489 4.073 50 0 IIAAHN COc1ccc(/C=C/C(=O)NCC2CCN(Cc3ccccc3SC)CC2)cc1OC ZINC000043991466 568745346 /nfs/dbraw/zinc/74/53/46/568745346.db2.gz ZGQGCGVBBVAPAY-PKNBQFBNSA-N 0 3 440.609 4.467 50 0 IIAAHN COc1ccc([C@H]2NCCc3c4ccccc4[nH]c32)cc1CN1C(=O)c2ccccc2C1=O ZINC000001321623 568780099 /nfs/dbraw/zinc/78/00/99/568780099.db2.gz YKIMNPLHZNTZNA-XMMPIXPASA-N 0 3 437.499 4.208 50 0 biogenic IIAAHN Cc1ccc(S(C)(=O)=O)cc1NC(=O)CN[C@@H](c1ccc(CC(C)C)cc1)C1CC1 ZINC000084185773 568795855 /nfs/dbraw/zinc/79/58/55/568795855.db2.gz BKEVUHBXADSVGP-DEOSSOPVSA-N 0 3 428.598 4.276 50 0 IIAAHN CCOC(=O)Cc1ccc(NC(=O)N(Cc2cccs2)C2CCN(CC)CC2)cc1 ZINC000015679763 568805596 /nfs/dbraw/zinc/80/55/96/568805596.db2.gz GNPDWCYSFSVPSE-UHFFFAOYSA-N 0 3 429.586 4.372 50 0 IIAAHN COc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccccc4Cl)C(=O)C3ON2c2ccccc2)cc1 ZINC000011582344 568818283 /nfs/dbraw/zinc/81/82/83/568818283.db2.gz KHWAVBYANPTJJF-BDTNDASRSA-N 0 3 434.879 4.400 50 0 IIAAHN COc1ccc([C@@H]2CN(Cc3ccccn3)C[C@H]2CN(Cc2ccc(F)cc2)C(C)=O)cc1 ZINC000247920585 568837729 /nfs/dbraw/zinc/83/77/29/568837729.db2.gz HEIHNEJRGMHETE-HOFKKMOUSA-N 0 3 447.554 4.494 50 0 IIAAHN CCc1ccc([C@@H](CNC(=O)COc2ccc(C(=O)c3ccccc3)cc2)N(C)C)cc1 ZINC000089284781 568918247 /nfs/dbraw/zinc/91/82/47/568918247.db2.gz HDQLCRPZXDYECU-RUZDIDTESA-N 0 3 430.548 4.278 50 0 IIAAHN COCCNC(=O)C1CCN(Cc2cc3ccccc3n2Cc2ccccc2Cl)CC1 ZINC000064593974 568936143 /nfs/dbraw/zinc/93/61/43/568936143.db2.gz WZEREVFLTKEIFQ-UHFFFAOYSA-N 0 3 439.987 4.318 50 0 IIAAHN COc1ccc(OC[C@@H](O)CN(Cc2ccc3c(c2)OCO3)Cc2ccccc2C)cc1 ZINC000036104623 568953162 /nfs/dbraw/zinc/95/31/62/568953162.db2.gz FLRQUGAQJIALSU-QFIPXVFZSA-N 0 3 435.520 4.174 50 0 IIAAHN CC[C@H](C)CN(CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(F)cc1)C[C@@H](C)O ZINC000036309838 568996309 /nfs/dbraw/zinc/99/63/09/568996309.db2.gz WUMWIJAUPGVCBR-SVMVAKDDSA-N 0 3 448.604 4.121 50 0 IIAAHN O=C(NC1CCN(Cc2ccccc2)CC1)c1ccc(-c2ccc(N3CCCC3)nn2)cc1 ZINC000064989144 569083062 /nfs/dbraw/zinc/08/30/62/569083062.db2.gz NKUUQMMXIHIBKX-UHFFFAOYSA-N 0 3 441.579 4.138 50 0 IIAAHN CN(C(=O)CC[C@@H]1CCCN(C(=O)CC23CC4CC(CC(C4)C2)C3)C1)C1CCN(C)CC1 ZINC000012000864 569264186 /nfs/dbraw/zinc/26/41/86/569264186.db2.gz WSQVOTGSTUMHMR-ZIJNUJLOSA-N 0 3 443.676 4.164 50 0 IIAAHN CCCOc1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCN(CC)CC)cc1 ZINC000002405959 569300121 /nfs/dbraw/zinc/30/01/21/569300121.db2.gz PYABRMRCVVFYOP-QHCPKHFHSA-N 0 3 434.536 4.469 50 0 IIAAHN CCCOc1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCN(CC)CC)cc1 ZINC000002405960 569300133 /nfs/dbraw/zinc/30/01/33/569300133.db2.gz PYABRMRCVVFYOP-HSZRJFAPSA-N 0 3 434.536 4.469 50 0 IIAAHN Cc1csc(-c2cccc(NC(=O)N[C@H]3CCN(Cc4ccccc4)C[C@@H]3CO)c2)n1 ZINC000078975309 569321129 /nfs/dbraw/zinc/32/11/29/569321129.db2.gz MGABPGKLWMHMHZ-IRLDBZIGSA-N 0 3 436.581 4.123 50 0 IIAAHN COc1ccc([C@H]2C3=C(NCCN=C3c3ccccc3)C(=O)N2c2ccccc2)cc1OC ZINC000095101396 569358187 /nfs/dbraw/zinc/35/81/87/569358187.db2.gz ANUOAPLVTHBNOG-SANMLTNESA-N 0 3 439.515 4.138 50 0 IIAAHN C[C@H]1CCc2c(F)cccc2[C@H]1NCC(=O)N(C)c1ccccc1C(=O)NCc1ccco1 ZINC000095462630 569370097 /nfs/dbraw/zinc/37/00/97/569370097.db2.gz XWWOYBGJNMZRRV-GKVSMKOHSA-N 0 3 449.526 4.225 50 0 IIAAHN CCN(CC)CCn1c(SCC(=O)c2c[nH]c3ccccc23)nc2ccccc2c1=O ZINC000003451475 569451647 /nfs/dbraw/zinc/45/16/47/569451647.db2.gz RRDKIBUHGYUEFX-UHFFFAOYSA-N 0 3 434.565 4.195 50 0 IIAAHN O=C(Cn1ccc2cc(Br)ccc21)NC1CCN(Cc2ccccc2)CC1 ZINC000032090947 569459582 /nfs/dbraw/zinc/45/95/82/569459582.db2.gz OISVMEVNSOKNNU-UHFFFAOYSA-N 0 3 426.358 4.185 50 0 IIAAHN O=C(Nc1nc(C(=O)NC2CCN(Cc3ccccc3)CC2)cs1)Nc1ccccc1 ZINC000009317530 569522342 /nfs/dbraw/zinc/52/23/42/569522342.db2.gz RXQCROWJEZGVPM-UHFFFAOYSA-N 0 3 435.553 4.182 50 0 IIAAHN CCN1CCC2(CC1)Oc1ccc(Br)cc1[C@H]1CC(c3ccncc3)=NN12 ZINC000009462047 569537209 /nfs/dbraw/zinc/53/72/09/569537209.db2.gz OKCFVPQCQWMFKB-LJQANCHMSA-N 0 3 427.346 4.200 50 0 IIAAHN CCN(CC)[C@H](CNc1cnn(-c2nc3ccccc3[nH]2)c(=O)c1Cl)c1ccccc1 ZINC000009588638 569549886 /nfs/dbraw/zinc/54/98/86/569549886.db2.gz RPLXGGBESMHGIR-HXUWFJFHSA-N 0 3 436.947 4.257 50 0 IIAAHN COc1ccc2sc(N(Cc3ccccn3)C(=O)C3COc4ccccc4O3)nc2c1 ZINC000010187596 569578617 /nfs/dbraw/zinc/57/86/17/569578617.db2.gz RVWQAQNXOIJWER-HXUWFJFHSA-N 0 3 433.489 4.073 50 0 IIAAHN Cc1cc(NC(=O)C(=O)NC[C@@H](c2cccc3ccccc32)N(C)C)c2ccccc2n1 ZINC000010333709 569581016 /nfs/dbraw/zinc/58/10/16/569581016.db2.gz WPVLUPCYWVEBMJ-DEOSSOPVSA-N 0 3 426.520 4.054 50 0 IIAAHN CCCn1c2ccccc2nc(-c2ccc(C(=O)NCCN3CCCC[C@@H]3C)cc2)c1=O ZINC000033298526 569587464 /nfs/dbraw/zinc/58/74/64/569587464.db2.gz QDJPJAFOVMIXEA-IBGZPJMESA-N 0 3 432.568 4.078 50 0 IIAAHN COc1ccc([C@H]2CN(Cc3ccccn3)C[C@@H]2CN(Cc2ccc(F)cc2)C(C)=O)cc1 ZINC000034699353 569587598 /nfs/dbraw/zinc/58/75/98/569587598.db2.gz HEIHNEJRGMHETE-YIXXDRMTSA-N 0 3 447.554 4.494 50 0 IIAAHN CC(C)Cc1ccc(CN2CCC[C@@H](NC(=O)C3CCN(Cc4ccco4)CC3)C2)cc1 ZINC000012709362 519436721 /nfs/dbraw/zinc/43/67/21/519436721.db2.gz OASDVEJSQHPPBF-RUZDIDTESA-N 0 3 437.628 4.471 50 0 IIAAHN CC(C)CN1C(=O)c2ccccc2[C@H](C(=O)NCCN2CCCCC2)[C@H]1c1cccs1 ZINC000020858459 519719867 /nfs/dbraw/zinc/71/98/67/519719867.db2.gz QORQFXBAUHNOLG-XZOQPEGZSA-N 0 3 439.625 4.287 50 0 IIAAHN CC(C)[C@@H](NC(=O)Cc1ccccc1)C(=O)NC[C@@H](c1cccs1)N1CCC(C)CC1 ZINC000012820856 519797324 /nfs/dbraw/zinc/79/73/24/519797324.db2.gz ZOKNLQYDMSFACC-XUZZJYLKSA-N 0 3 441.641 4.021 50 0 IIAAHN CCOCc1cc(CN2CCC(n3nccc3NC(=O)C(C)(C)C)CC2)ccc1OC ZINC000012590583 520185584 /nfs/dbraw/zinc/18/55/84/520185584.db2.gz IQJZBPMDQZDHBW-UHFFFAOYSA-N 0 3 428.577 4.250 50 0 IIAAHN CC1CCN([C@@H](CNC(=O)C[C@H]2Sc3ccccc3NC2=O)c2cccs2)CC1 ZINC000022681268 521034514 /nfs/dbraw/zinc/03/45/14/521034514.db2.gz COUNIRGUQMOSEW-FXAWDEMLSA-N 0 3 429.611 4.140 50 0 IIAAHN COC(=O)c1sc2nc(CN(C)C(C)C)ccc2c1NC(=O)Cc1ccccc1F ZINC000012100232 522430908 /nfs/dbraw/zinc/43/09/08/522430908.db2.gz SRRZQLDNRHUCEJ-UHFFFAOYSA-N 0 3 429.517 4.243 50 0 IIAAHN COc1cc(CN[C@H](C)c2ccccc2)ccc1OCc1nnnn1-c1ccc(C)cc1 ZINC000022108183 522483599 /nfs/dbraw/zinc/48/35/99/522483599.db2.gz NCKALTGIYINKTF-LJQANCHMSA-N 0 3 429.524 4.409 50 0 IIAAHN COc1cc2c(cc1CN1CCC([C@@]3(C)NC(=O)NC3=O)CC1)oc(C)c2-c1ccccc1 ZINC000012245990 522998017 /nfs/dbraw/zinc/99/80/17/522998017.db2.gz VCJHVCCKRGCULF-AREMUKBSSA-N 0 3 447.535 4.227 50 0 IIAAHN COC(=O)Cn1cc(CN[C@@H]2CCCc3c2cnn3-c2ccccc2F)c2ccccc21 ZINC000012430725 523400006 /nfs/dbraw/zinc/40/00/06/523400006.db2.gz SSRBACCTCJKOLA-OAQYLSRUSA-N 0 3 432.499 4.306 50 0 IIAAHN CCn1nc(C(=O)N2CCCCCC2)c2c1CC[C@@H](NCc1nc3ccccc3s1)C2 ZINC000014533154 523609460 /nfs/dbraw/zinc/60/94/60/523609460.db2.gz MZKMWNBLXHLYCD-QGZVFWFLSA-N 0 3 437.613 4.176 50 0 IIAAHN COc1ccc(CCN(C)[C@H]2CCCN(C(=O)Nc3ccc(F)cc3F)C2)cc1OC ZINC000012592741 523940956 /nfs/dbraw/zinc/94/09/56/523940956.db2.gz ZVRRYRZOZQDHDJ-SFHVURJKSA-N 0 3 433.499 4.153 50 0 IIAAHN CCc1ccc([C@@H](CNC(=O)[C@@H](Cc2ccccc2)NC(=O)c2cccs2)N(C)C)cc1 ZINC000012794412 524029168 /nfs/dbraw/zinc/02/91/68/524029168.db2.gz KWGSVYADIKJCAY-DHIUTWEWSA-N 0 3 449.620 4.071 50 0 IIAAHN CCc1ccc([C@H](CNC(=O)C2CCN(c3ccc(C(F)(F)F)cn3)CC2)N(C)C)cc1 ZINC000012904519 524048740 /nfs/dbraw/zinc/04/87/40/524048740.db2.gz UPVAHEGPRPJQRM-NRFANRHFSA-N 0 3 448.533 4.298 50 0 IIAAHN CCc1ccc([C@H](NC(=O)CNCCOc2ccccc2OC)c2cccc(F)c2)cc1 ZINC000016695506 524051276 /nfs/dbraw/zinc/05/12/76/524051276.db2.gz RXBUNAVWJFCAIE-SANMLTNESA-N 0 3 436.527 4.271 50 0 IIAAHN Cc1cccc(-n2ncc(C(=O)NC3CCN(Cc4ccccc4)CC3)c2-n2cccc2)c1 ZINC000020980007 524147306 /nfs/dbraw/zinc/14/73/06/524147306.db2.gz KFYDROPWUNUNHW-UHFFFAOYSA-N 0 3 439.563 4.366 50 0 IIAAHN COc1ccc([C@@H]2CCCCCN2CC(=O)NC2CCN(Cc3ccccc3)CC2)cc1 ZINC000012922631 525243653 /nfs/dbraw/zinc/24/36/53/525243653.db2.gz CUDOVPVEVJMCET-SANMLTNESA-N 0 3 435.612 4.393 50 0 IIAAHN COc1ccc([C@H](CNC(=O)/C=C/c2csc(-c3ccc(F)cc3)n2)N(C)C)cc1 ZINC000012925258 525355025 /nfs/dbraw/zinc/35/50/25/525355025.db2.gz FAQYCPLGBUCWFW-BGVYSJOJSA-N 0 3 425.529 4.390 50 0 IIAAHN Cc1ccc(-c2cc(C(F)(F)F)n3ncc(C(=O)OC[C@@H]4CCCN(C)C4)c3n2)cc1 ZINC000021789066 525732278 /nfs/dbraw/zinc/73/22/78/525732278.db2.gz SUHBZIOYQLUOCU-OAHLLOKOSA-N 0 3 432.446 4.222 50 0 IIAAHN O=C(NCCN1CC[C@H](c2ccccc2)C1)c1cc(COc2cccc3cnccc32)on1 ZINC000012198867 526322655 /nfs/dbraw/zinc/32/26/55/526322655.db2.gz NMILAYMQNUXDAI-NRFANRHFSA-N 0 3 442.519 4.021 50 0 IIAAHN O=C(NCCc1ccccn1)[C@@H]1CC12CCN(Cc1cnc(-c3ccccc3)s1)CC2 ZINC000012572633 526433090 /nfs/dbraw/zinc/43/30/90/526433090.db2.gz DVCMRIMVMQZLAJ-QFIPXVFZSA-N 0 3 432.593 4.166 50 0 IIAAHN O=C(Nc1cccc(-n2cccn2)c1)[C@@H]1CCCN(Cc2ccc(-c3cc[nH]n3)s2)C1 ZINC000012438936 527318583 /nfs/dbraw/zinc/31/85/83/527318583.db2.gz VBNTUDQREAPGFY-QGZVFWFLSA-N 0 3 432.553 4.175 50 0 IIAAHN Nc1c2c(nn1-c1ccc(F)cc1)nc(NCCN1CCCCC1)nc2-c1ccc(F)cc1 ZINC000035930096 527436052 /nfs/dbraw/zinc/43/60/52/527436052.db2.gz PXGKTVWVHVWZNG-UHFFFAOYSA-N 0 3 449.509 4.241 50 0 IIAAHN CCc1ccc([C@@H](CNC(=O)CCSCC(=O)Nc2ccc(C)cc2)N(C)C)cc1 ZINC000032733294 556305681 /nfs/dbraw/zinc/30/56/81/556305681.db2.gz XGPPZKHZAMFKRM-JOCHJYFZSA-N 0 3 427.614 4.038 50 0 IIAAHN COCCN(Cc1c(F)ccc(F)c1F)CC1CCN(Cc2ccccc2OC)CC1 ZINC000011878516 556371017 /nfs/dbraw/zinc/37/10/17/556371017.db2.gz OBLPIXXRXGAVIX-UHFFFAOYSA-N 0 3 436.518 4.473 50 0 IIAAHN CCn1ccnc1CN(C)C(=O)c1ccc(OC2CCN(CCc3ccccc3)CC2)cc1 ZINC000011935423 556378268 /nfs/dbraw/zinc/37/82/68/556378268.db2.gz YKDIOQGZPRRANT-UHFFFAOYSA-N 0 3 446.595 4.261 50 0 IIAAHN COc1ccc(C(=O)NC2CC2)cc1OC1CCN([C@@H](C)Cc2ccccc2F)CC1 ZINC000012049212 556391860 /nfs/dbraw/zinc/39/18/60/556391860.db2.gz FSGBZIBPXNYPOQ-KRWDZBQOSA-N 0 3 426.532 4.201 50 0 IIAAHN COc1ccc([C@@H]2c3c(n(C)c4c3[C@@H](c3ccc(OC)cc3)N(C)CC4)CCN2C)cc1 ZINC000012436723 556404542 /nfs/dbraw/zinc/40/45/42/556404542.db2.gz LCCSPYUGQUDIOH-KAYWLYCHSA-N 0 3 431.580 4.197 50 0 IIAAHN COc1ccc(-n2ncc3c2CC(C)(C)C[C@@H]3NCc2ccc(N3CCNC3=O)cc2)cc1 ZINC000014967897 556466099 /nfs/dbraw/zinc/46/60/99/556466099.db2.gz SBZKHGSOHIVORA-QHCPKHFHSA-N 0 3 445.567 4.214 50 0 IIAAHN Cc1nn(-c2ccc(F)cc2)c(C)c1CN1CCC[C@@H](CNC(=O)c2cccs2)C1 ZINC000014976099 556468908 /nfs/dbraw/zinc/46/89/08/556468908.db2.gz OBJROZAXIRWESC-SFHVURJKSA-N 0 3 426.561 4.332 50 0 IIAAHN COCC(=O)N1CCC(Oc2ccc(CN3CCC(Cc4ccccc4)CC3)cc2)CC1 ZINC000015003589 556480909 /nfs/dbraw/zinc/48/09/09/556480909.db2.gz KXJMWYXXMIHODU-UHFFFAOYSA-N 0 3 436.596 4.158 50 0 IIAAHN O=C([C@H](NC[C@H](c1c[nH]c2ccccc21)c1ccccc1)c1ccccc1)N1CCOCC1 ZINC000013163985 556495420 /nfs/dbraw/zinc/49/54/20/556495420.db2.gz GWXPYIKRYGCINP-RPLLCQBOSA-N 0 3 439.559 4.490 50 0 IIAAHN Cc1ccc(-n2cc(CNCc3ccc(S(N)(=O)=O)cc3)c(-c3cccc(C)c3)n2)cc1 ZINC000015079946 556500819 /nfs/dbraw/zinc/50/08/19/556500819.db2.gz YSHXXAAOEIKERA-UHFFFAOYSA-N 0 3 446.576 4.093 50 0 IIAAHN O=C(NCCc1ccccc1F)[C@@H]1C[C@H](NCc2ccc(F)cc2)CN1Cc1ccccc1 ZINC000032540673 556540516 /nfs/dbraw/zinc/54/05/16/556540516.db2.gz JDRPJXUQDMOAIS-AHWVRZQESA-N 0 3 449.545 4.056 50 0 IIAAHN CCCNCC(=O)Nc1sc2c(c1C(=O)Nc1ccc(Br)cc1)CCC2 ZINC000015946531 556567339 /nfs/dbraw/zinc/56/73/39/556567339.db2.gz LEBKZQNTROAROC-UHFFFAOYSA-N 0 3 436.375 4.190 50 0 IIAAHN CN(CCCNC(=O)CC1CCN(C(=O)c2ccccc2Cl)CC1)Cc1ccccc1 ZINC000032974450 556595573 /nfs/dbraw/zinc/59/55/73/556595573.db2.gz JWYLQIYCEDJVEQ-UHFFFAOYSA-N 0 3 442.003 4.221 50 0 IIAAHN COc1ccccc1-n1cc(CN[C@@H]2CCCN(c3ccc(C(F)(F)F)cn3)C2)cn1 ZINC000039541889 556629393 /nfs/dbraw/zinc/62/93/93/556629393.db2.gz ADMCPVXWVFUHIT-GOSISDBHSA-N 0 3 431.462 4.053 50 0 IIAAHN O=C(CC[C@H]1CCCN(Cc2ccccc2Cl)C1)N1CCN(c2ccccn2)CC1 ZINC000019110762 556700034 /nfs/dbraw/zinc/70/00/34/556700034.db2.gz FWAIJFONBIQHCY-HXUWFJFHSA-N 0 3 426.992 4.076 50 0 IIAAHN CCCN(C(=O)C1CCN(C(=O)c2ccoc2)CC1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000058266723 556776769 /nfs/dbraw/zinc/77/67/69/556776769.db2.gz SPVGHTUDFXCZAG-DEOSSOPVSA-N 0 3 437.584 4.035 50 0 IIAAHN O=S(=O)(NC1CCN(CCCSc2ccccc2Cl)CC1)c1ccccc1 ZINC000058392351 556784800 /nfs/dbraw/zinc/78/48/00/556784800.db2.gz BHCCLXWVLFABRS-UHFFFAOYSA-N 0 3 425.019 4.265 50 0 IIAAHN C[C@@H](CNC(=O)c1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F)N1CCC[C@@H](C)C1 ZINC000058954913 556793428 /nfs/dbraw/zinc/79/34/28/556793428.db2.gz PKORKFLCUDXWMW-KGLIPLIRSA-N 0 3 428.886 4.395 50 0 IIAAHN Cc1nc(N2CCCCC2)cc(N2CCN(C(=O)Nc3ccc4ccccc4c3)CC2)n1 ZINC000065363933 556835451 /nfs/dbraw/zinc/83/54/51/556835451.db2.gz HATCBYQGMXFGRE-UHFFFAOYSA-N 0 3 430.556 4.283 50 0 IIAAHN Clc1cccc(CN2CCC[C@@H](c3nc4c5cnn(-c6ccccc6)c5ncn4n3)C2)c1 ZINC000019639469 556836891 /nfs/dbraw/zinc/83/68/91/556836891.db2.gz VEGZBUVEJPFQCJ-GOSISDBHSA-N 0 3 443.942 4.496 50 0 IIAAHN CCC(=O)OC1(c2ccccc2)CCN(CC[C@H]2CN(Cc3ccccc3)C(=O)O2)CC1 ZINC000071769272 556887757 /nfs/dbraw/zinc/88/77/57/556887757.db2.gz ORNVVZWQMWJHLG-QHCPKHFHSA-N 0 3 436.552 4.342 50 0 IIAAHN C[C@@H]1CN(c2ccc(NC(=O)N(CCc3ccccc3)CCN(C)C)cc2F)C[C@H](C)O1 ZINC000048278894 557057130 /nfs/dbraw/zinc/05/71/30/557057130.db2.gz FGDJXPIFSXWQOE-BGYRXZFFSA-N 0 3 442.579 4.078 50 0 IIAAHN Cc1nc(-c2ccc(F)cc2)sc1-c1cc(C(=O)N2CCN(c3ccccn3)CC2)n[nH]1 ZINC000049002338 557090182 /nfs/dbraw/zinc/09/01/82/557090182.db2.gz QTIXNQKNVISEHC-UHFFFAOYSA-N 0 3 448.527 4.005 50 0 IIAAHN Cc1noc(C)c1S(=O)(=O)[N-]Cc1ccccc1-c1ccc(C[NH+]2CCCC2)cc1 ZINC000024453078 557147479 /nfs/dbraw/zinc/14/74/79/557147479.db2.gz MVRCZMOZVYNTTB-UHFFFAOYSA-N 0 3 425.554 4.033 50 0 IIAAHN COc1ccc(CN(Cc2nn3c(nc(C)cc3=O)s2)[C@H](C)Cc2cccs2)cc1 ZINC000024893032 557177356 /nfs/dbraw/zinc/17/73/56/557177356.db2.gz GEHHJTGUWTZOEE-MRXNPFEDSA-N 0 3 440.594 4.163 50 0 IIAAHN O[C@]1(c2ccc3c(c2)c2c4n3CCN(Cc3ccccc3)[C@H]4CCC2)CN2CCC1CC2 ZINC000085898408 557219953 /nfs/dbraw/zinc/21/99/53/557219953.db2.gz LBWDAHMLEQZIJM-XTEPFMGCSA-N 0 3 427.592 4.448 50 0 biogenic IIAAHN CC1CCN([C@@H](CNC(=O)Cc2ccc(N3CCCC3=O)cc2)c2cccs2)CC1 ZINC000018186160 557246615 /nfs/dbraw/zinc/24/66/15/557246615.db2.gz XIKGMFNBPMRQLN-NRFANRHFSA-N 0 3 425.598 4.007 50 0 IIAAHN Cc1cc(C)c(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc(O)cc4)[C@H]3C2=O)c(C)c1 ZINC000102706503 557366453 /nfs/dbraw/zinc/36/64/53/557366453.db2.gz QDYNHOKMRBDKAV-GMKZXUHWSA-N 0 3 428.488 4.369 50 0 IIAAHN COc1cccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(C)cc4C)[C@@H]3C2=O)c1 ZINC000102763229 557380865 /nfs/dbraw/zinc/38/08/65/557380865.db2.gz VFKCYELEJVTKDB-KMDXXIMOSA-N 0 3 428.488 4.363 50 0 IIAAHN COCc1cc(CN2CC[C@]3(C2)CCCN(Cc2cc(OC)ccc2F)C3)ccc1OC ZINC000012072627 557526940 /nfs/dbraw/zinc/52/69/40/557526940.db2.gz ZHVHOCHPBYTTJM-AREMUKBSSA-N 0 3 442.575 4.477 50 0 IIAAHN COc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccc(Cl)cc2)[C@@H]3c2ccccc2)cc1 ZINC000229968375 557834420 /nfs/dbraw/zinc/83/44/20/557834420.db2.gz WMUKCJWSARQGPN-BHDDXSALSA-N 0 3 434.879 4.400 50 0 IIAAHN COc1ccc(N2C(=O)C3ON(c4ccc(Cl)cc4)[C@H](c4ccccc4)[C@@H]3C2=O)cc1 ZINC000229968375 557834422 /nfs/dbraw/zinc/83/44/22/557834422.db2.gz WMUKCJWSARQGPN-BHDDXSALSA-N 0 3 434.879 4.400 50 0 IIAAHN COc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccc(Cl)cc2)[C@@H]3c2cccs2)cc1 ZINC000229968897 557834478 /nfs/dbraw/zinc/83/44/78/557834478.db2.gz VOOMCSJTSLNGRL-XUVXKRRUSA-N 0 3 440.908 4.461 50 0 IIAAHN COc1ccc(N2C(=O)C3ON(c4ccc(Cl)cc4)[C@H](c4cccs4)[C@@H]3C2=O)cc1 ZINC000229968897 557834479 /nfs/dbraw/zinc/83/44/79/557834479.db2.gz VOOMCSJTSLNGRL-XUVXKRRUSA-N 0 3 440.908 4.461 50 0 IIAAHN CN(Cc1ccc(OCCNC(=O)[C@H]2CCCCN2C)cc1)Cc1cccc2ccccc21 ZINC000299800953 568758007 /nfs/dbraw/zinc/75/80/07/568758007.db2.gz UEAYSDLOLFPWIB-HHHXNRCGSA-N 0 3 445.607 4.451 50 0 IIAAHN O=S(=O)([N-]Cc1ccc(C[NH+]2CCCC2)cc1)c1ccc(Cl)cc1C(F)(F)F ZINC000015336045 568758341 /nfs/dbraw/zinc/75/83/41/568758341.db2.gz DASQXBNIEAENOP-UHFFFAOYSA-N 0 3 432.895 4.433 50 0 IIAAHN CC(C)[C@H](NCC(=O)Nc1cc(S(C)(=O)=O)ccc1F)c1ccc(C(C)(C)C)cc1 ZINC000084456263 568798238 /nfs/dbraw/zinc/79/82/38/568798238.db2.gz YDXWPSWWGDKWFK-QFIPXVFZSA-N 0 3 434.577 4.452 50 0 IIAAHN CCC(CC)C(=O)N(CCN(C)C)Cc1cc(NC(=O)C2CCCC2)ccc1N(C)C ZINC000006722971 568963357 /nfs/dbraw/zinc/96/33/57/568963357.db2.gz WLRQGRYOWDLFCU-UHFFFAOYSA-N 0 3 430.637 4.208 50 0 IIAAHN Cc1nn(-c2ccc(C)c(C)c2)c2nc(C)c(CCC(=O)NCCN3CCCC3)c(C)c12 ZINC000006808959 568997886 /nfs/dbraw/zinc/99/78/86/568997886.db2.gz RARYICCNVADQGE-UHFFFAOYSA-N 0 3 433.600 4.107 50 0 IIAAHN CCN(CC)[C@@H](CNC(=O)C[C@@H]1c2ccccc2C=CN1C(C)=O)c1cccc(OC)c1 ZINC000036751127 569137618 /nfs/dbraw/zinc/13/76/18/569137618.db2.gz RFFVSTJUYKNPML-RPBOFIJWSA-N 0 3 435.568 4.159 50 0 IIAAHN CC1CCN([C@@H](CNC(=O)c2ccc(-c3cccs3)[nH]c2=O)c2cccs2)CC1 ZINC000065589692 569139967 /nfs/dbraw/zinc/13/99/67/569139967.db2.gz YQQOUUPIUIEVMU-SFHVURJKSA-N 0 3 427.595 4.368 50 0 IIAAHN O=C(NC[C@H]1CCCN(Cc2ccc(OC[C@@H]3CCCO3)cc2)C1)Nc1cccc(F)c1 ZINC000089779335 569162794 /nfs/dbraw/zinc/16/27/94/569162794.db2.gz BYCCIOMJJFAVHW-YKSBVNFPSA-N 0 3 441.547 4.417 50 0 IIAAHN CN(C(=O)CC[C@H]1CCCN(C(=O)CC23CC4CC(CC(C4)C2)C3)C1)C1CCN(C)CC1 ZINC000012000869 569264179 /nfs/dbraw/zinc/26/41/79/569264179.db2.gz WSQVOTGSTUMHMR-PZIRLDSMSA-N 0 3 443.676 4.164 50 0 IIAAHN CCCCn1c(CN(C)C[C@H]2CCN(C(C)C)C2)cnc1S(=O)(=O)CCCC(C)C ZINC000019336754 569318576 /nfs/dbraw/zinc/31/85/76/569318576.db2.gz AOULSADADSVCAY-OAQYLSRUSA-N 0 3 440.698 4.055 50 0 IIAAHN COc1ccc([C@H]2[C@@H](COC(=O)c3cc(N4CCOC4=O)ccc3F)CCCN2C)cc1 ZINC000078988995 569321487 /nfs/dbraw/zinc/32/14/87/569321487.db2.gz WNDXHJZUXMJBKW-VGSWGCGISA-N 0 3 442.487 4.031 50 0 IIAAHN CO[C@H](C)c1nc(CN2CCCN(CCC(=O)Nc3cccc(Cl)c3)CC2)cs1 ZINC000079053168 569323554 /nfs/dbraw/zinc/32/35/54/569323554.db2.gz ZBKKSPNZLDLTIY-MRXNPFEDSA-N 0 3 437.009 4.040 50 0 IIAAHN CCC(CC)(CC(=O)OC)NCC(=O)N1N=C(c2cccs2)C[C@H]1c1cccs1 ZINC000079068492 569324418 /nfs/dbraw/zinc/32/44/18/569324418.db2.gz YUKZCVIPEPYQGJ-INIZCTEOSA-N 0 3 433.599 4.199 50 0 IIAAHN CC(C)[C@@H](CN(Cc1ccc(Cl)c(Cl)c1)c1nn2c(nccc2=O)s1)N(C)C ZINC000079109174 569325981 /nfs/dbraw/zinc/32/59/81/569325981.db2.gz KDJASSDTQINHGU-MRXNPFEDSA-N 0 3 440.400 4.051 50 0 IIAAHN Cc1cccc(Cc2nc3cc(Cl)c(Cl)cc3n2CC(=O)NCCN2CCCC2)c1 ZINC000096294270 569391769 /nfs/dbraw/zinc/39/17/69/569391769.db2.gz ANLHTEGBYUZVLZ-UHFFFAOYSA-N 0 3 445.394 4.454 50 0 IIAAHN O=C(NC1CCN(Cc2ccccc2)CC1)c1ccc2ncnc(N3CCCCC3)c2c1 ZINC000096399949 569400273 /nfs/dbraw/zinc/40/02/73/569400273.db2.gz GKJVYTVQTVXFNG-UHFFFAOYSA-N 0 3 429.568 4.015 50 0 IIAAHN CCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4cccc(F)c4)[C@@H]3C2=O)cc1 ZINC000230035905 569418201 /nfs/dbraw/zinc/41/82/01/569418201.db2.gz GLVBQKOMRGPEFT-YTFSRNRJSA-N 0 3 432.451 4.276 50 0 IIAAHN Cc1ccc(C(=O)NC(=S)Nc2ccc(N3CCN(Cc4ccccc4)CC3)cc2)cc1 ZINC000057251282 569430169 /nfs/dbraw/zinc/43/01/69/569430169.db2.gz HPVPWTPSUNUINF-UHFFFAOYSA-N 0 3 444.604 4.444 50 0 IIAAHN O=C(CN(Cc1ccc(F)cc1)C1CCCCC1)N1CCN(C(=O)c2cccs2)CC1 ZINC000008748388 569473221 /nfs/dbraw/zinc/47/32/21/569473221.db2.gz CVPUXMXKXTUBPQ-UHFFFAOYSA-N 0 3 443.588 4.007 50 0 IIAAHN Cc1c(C)c(=O)oc2c(C)c(O[C@@H](C)C(=O)NC3CCN(Cc4ccccc4)CC3)ccc12 ZINC000009046078 569498310 /nfs/dbraw/zinc/49/83/10/569498310.db2.gz UZYSMELWUJSWRN-FQEVSTJZSA-N 0 3 448.563 4.266 50 0 IIAAHN COc1ccc([C@@H]2N(c3ccccc3)OC3C(=O)N(c4ccc(C)cc4)C(=O)[C@@]32C)cc1 ZINC000009272142 569517846 /nfs/dbraw/zinc/51/78/46/569517846.db2.gz MYERLJKKPCTZKL-PPJWLVRDSA-N 0 3 428.488 4.445 50 0 IIAAHN CCCN1CCC2(CC1)Oc1c(OC)cccc1[C@H]1CC(c3ccc4c(c3)OCCO4)=NN12 ZINC000009360120 569525787 /nfs/dbraw/zinc/52/57/87/569525787.db2.gz ROEGVQQTARXSQJ-OAQYLSRUSA-N 0 3 449.551 4.212 50 0 IIAAHN CCOC(=O)c1cccc(NC(=O)c2cc3cc4c5c(c3oc2=N)CCCN5CCC4)c1 ZINC000009495429 569541036 /nfs/dbraw/zinc/54/10/36/569541036.db2.gz JCGZMFVYVOXEOF-UHFFFAOYSA-N 0 3 431.492 4.040 50 0 IIAAHN Cc1nn(-c2ccccc2)c2nc(C)cc(C(=O)NC3CCN(Cc4ccccc4)CC3)c12 ZINC000009610354 569552554 /nfs/dbraw/zinc/55/25/54/569552554.db2.gz KTDYOFAUZZVFTM-UHFFFAOYSA-N 0 3 439.563 4.432 50 0 IIAAHN O=C(NC1CCN(Cc2ccccc2)CC1)c1nccnc1-c1nc2ccccc2s1 ZINC000009739232 569564941 /nfs/dbraw/zinc/56/49/41/569564941.db2.gz CPZNPCZENIAHMZ-UHFFFAOYSA-N 0 3 429.549 4.148 50 0 IIAAHN O=C(C1COc2ccccc2O1)N(Cc1ccccn1)c1nc2c(cc(F)cc2F)s1 ZINC000010187657 569578652 /nfs/dbraw/zinc/57/86/52/569578652.db2.gz AWXKZLHILKMXQG-SFHVURJKSA-N 0 3 439.443 4.343 50 0 IIAAHN CCOc1cccc2c1OC1(CCN(CC)CC1)N1N=C(c3ccc4c(c3)OCO4)C[C@@H]21 ZINC000010214431 569579150 /nfs/dbraw/zinc/57/91/50/569579150.db2.gz OWMFLSPWXBAVAG-FQEVSTJZSA-N 0 3 435.524 4.170 50 0 IIAAHN CCC(CC)N1CCN(c2ccc3nc(C(=O)N[C@H]4CCc5ccccc54)ccc3n2)CC1 ZINC000009224658 132309776 /nfs/dbraw/zinc/30/97/76/132309776.db2.gz MFJWZUNQAZPCMO-QFIPXVFZSA-N 0 3 443.595 4.358 50 0 IIAAHN CCN1CCN(c2ccc(NC(=O)Cc3ccc(OCc4c(C)noc4C)cc3)cc2)CC1 ZINC000009876435 132330768 /nfs/dbraw/zinc/33/07/68/132330768.db2.gz CPEROQRCLAYGFT-UHFFFAOYSA-N 0 3 448.567 4.194 50 0 IIAAHN Brc1cccc(CNCc2cccn2-c2nnc(N3CCCCC3)s2)c1 ZINC000020576710 518220707 /nfs/dbraw/zinc/22/07/07/518220707.db2.gz CHWBKKZWAYKMAU-UHFFFAOYSA-N 0 3 432.391 4.371 50 0 IIAAHN CC(C)Cc1ccc(CN2CCC[C@H](NC(=O)C3CCN(Cc4ccco4)CC3)C2)cc1 ZINC000012709368 519436931 /nfs/dbraw/zinc/43/69/31/519436931.db2.gz OASDVEJSQHPPBF-VWLOTQADSA-N 0 3 437.628 4.471 50 0 IIAAHN CCCN1CCN(c2ncnc3sc(C(=O)Nc4ccccc4Cl)c(C)c32)CC1 ZINC000033048418 519861053 /nfs/dbraw/zinc/86/10/53/519861053.db2.gz VWIKTBLPQXUMHV-UHFFFAOYSA-N 0 3 429.977 4.437 50 0 IIAAHN C=C1C(NCCCN2CCC(Cc3ccccc3)CC2)=NS(=O)(=O)C1c1ccccc1 ZINC000020901137 520843164 /nfs/dbraw/zinc/84/31/64/520843164.db2.gz PIFYATHJAQUCNZ-UHFFFAOYSA-N 0 3 437.609 4.094 50 0 IIAAHN CCC(CC)C(=O)N(CCN(C)C)Cc1cc(NC(=O)c2cccs2)ccc1N(C)C ZINC000035947406 521483726 /nfs/dbraw/zinc/48/37/26/521483726.db2.gz LVGCQUPKLOWNNT-UHFFFAOYSA-N 0 3 444.645 4.393 50 0 IIAAHN CCN1CCN(c2ccc(NC(=O)c3ccccc3OCc3csc(C)n3)cc2)CC1 ZINC000009338638 521699503 /nfs/dbraw/zinc/69/95/03/521699503.db2.gz VUJHAAAIURIILO-UHFFFAOYSA-N 0 3 436.581 4.425 50 0 IIAAHN COc1ccc(C(=O)N(CC2CCC2)C[C@H]2CCCO2)cc1OC1CCN(C(C)C)CC1 ZINC000012193085 523612079 /nfs/dbraw/zinc/61/20/79/523612079.db2.gz QGRONJJNDQAYGH-HSZRJFAPSA-N 0 3 444.616 4.368 50 0 IIAAHN COc1ccc(CN[C@H]2C[C@@H](C(=O)NC(C)C)N(Cc3ccccc3Cl)C2)c(C)c1C ZINC000020601573 524093613 /nfs/dbraw/zinc/09/36/13/524093613.db2.gz YHEHPXTXPRCTCF-GMAHTHKFSA-N 0 3 444.019 4.223 50 0 IIAAHN Cc1cccc(-n2ncc(C(=O)[N-]c3c(F)c(F)cc(F)c3F)c2C2CC[NH2+]CC2)c1 ZINC000020940936 524147112 /nfs/dbraw/zinc/14/71/12/524147112.db2.gz YXJAKCZDUXHZJL-UHFFFAOYSA-N 0 3 432.421 4.456 50 0 IIAAHN COc1ccccc1/C=C/CN1CCC(n2nccc2NC(=O)Cc2ccccc2)CC1 ZINC000012431201 524316116 /nfs/dbraw/zinc/31/61/16/524316116.db2.gz QXERPZFOQLSXCO-YRNVUSSQSA-N 0 3 430.552 4.423 50 0 IIAAHN COc1ccccc1CN1CCC(CN(CC(C)C)C(=O)[C@@H]2Cc3ccccc3O2)CC1 ZINC000012592997 524446180 /nfs/dbraw/zinc/44/61/80/524446180.db2.gz WUDJIRMOJYPNGH-SANMLTNESA-N 0 3 436.596 4.396 50 0 IIAAHN Cc1cc(C)n(-c2nc(C)cc(N3CCN(C(c4ccccc4)c4ccccc4)CC3)n2)n1 ZINC000023006518 524497641 /nfs/dbraw/zinc/49/76/41/524497641.db2.gz QONLJYDHMFXIQB-UHFFFAOYSA-N 0 3 438.579 4.499 50 0 IIAAHN Cc1ccccc1-c1ccc(CN2CCC[C@H](n3cc(C(=O)N4CCCC4)nn3)C2)cc1 ZINC000012212438 525002520 /nfs/dbraw/zinc/00/25/20/525002520.db2.gz SDSAAMPKFKMNHO-QHCPKHFHSA-N 0 3 429.568 4.327 50 0 IIAAHN C[C@@H](NC[C@H](c1c[nH]c2ccccc21)c1ccccc1)C(=O)NCc1ccc2c(c1)OCO2 ZINC000012862721 525495813 /nfs/dbraw/zinc/49/58/13/525495813.db2.gz GVUBDKKNTWIWLF-GCJKJVERSA-N 0 3 441.531 4.323 50 0 IIAAHN Cc1nn(Cc2ccc(C)cc2)c(Cl)c1CNC[C@@H](c1cccs1)N1CCOCC1 ZINC000023257819 526289375 /nfs/dbraw/zinc/28/93/75/526289375.db2.gz ZYLZTGHAYLFHOJ-NRFANRHFSA-N 0 3 445.032 4.426 50 0 IIAAHN Cc1nn(Cc2ccc(C)cc2)c(Cl)c1CNC[C@H](c1cccs1)N1CCOCC1 ZINC000023257816 526289729 /nfs/dbraw/zinc/28/97/29/526289729.db2.gz ZYLZTGHAYLFHOJ-OAQYLSRUSA-N 0 3 445.032 4.426 50 0 IIAAHN O=C(NCCN1CCCCCC1)c1ccc2c(c1)NC(=O)/C(=C/c1ccc(Cl)cc1)O2 ZINC000032983611 526309533 /nfs/dbraw/zinc/30/95/33/526309533.db2.gz GHCXLNAQYLCPJT-JCMHNJIXSA-N 0 3 439.943 4.318 50 0 IIAAHN O=C(COc1ccc(-c2ncccn2)cc1CN1CCCCCC1)NCc1cccc(F)c1 ZINC000015003892 526945405 /nfs/dbraw/zinc/94/54/05/526945405.db2.gz GHODCEVBISPEGP-UHFFFAOYSA-N 0 3 448.542 4.354 50 0 IIAAHN Cn1cc(CN2CCC(N3CCOCC3)CC2)c(-c2ccc(Oc3ccccc3)cc2)n1 ZINC000091691018 527197374 /nfs/dbraw/zinc/19/73/74/527197374.db2.gz LCFXLUBLFHSLNN-UHFFFAOYSA-N 0 3 432.568 4.176 50 0 IIAAHN Cc1nccn1-c1ccc(NC(=O)[C@@H]2CCCN(Cc3nc4ccc(F)cc4[nH]3)C2)cc1 ZINC000012300317 527375888 /nfs/dbraw/zinc/37/58/88/527375888.db2.gz VLVTZNAPYXPVSM-QGZVFWFLSA-N 0 3 432.503 4.047 50 0 IIAAHN FC(F)(F)c1cccc(N2CCN([C@@H]3CCCN(Cc4ccc5nonc5c4)C3)CC2)c1 ZINC000020907222 527685598 /nfs/dbraw/zinc/68/55/98/527685598.db2.gz CPMNBWAOYAQANL-HXUWFJFHSA-N 0 3 445.489 4.028 50 0 IIAAHN C/C=C/c1ccc(OC[C@H](O)CN(C)Cc2ccc(OC(F)F)c(OC)c2)c(OC)c1 ZINC000009585704 555591750 /nfs/dbraw/zinc/59/17/50/555591750.db2.gz ZYMYUMITYWHVDK-DUMMIQTOSA-N 0 3 437.483 4.210 50 0 IIAAHN COc1ccc([C@H]2CN(Cc3cccn3C)C[C@@H]2CN(Cc2ccc(F)cc2)C(C)=O)cc1 ZINC000034699351 555832078 /nfs/dbraw/zinc/83/20/78/555832078.db2.gz WATQNWWNWFVCAS-YIXXDRMTSA-N 0 3 449.570 4.437 50 0 IIAAHN CCN1CCC2(CC1)Oc1ccc(Br)cc1[C@@H]1CC(c3ccncc3)=NN12 ZINC000013750508 556298988 /nfs/dbraw/zinc/29/89/88/556298988.db2.gz OKCFVPQCQWMFKB-IBGZPJMESA-N 0 3 427.346 4.200 50 0 IIAAHN Cc1c(Nc2ccc(CNC[C@@H](c3ccco3)N(C)C)cc2)c(=O)n(-c2ccccc2)n1C ZINC000022925207 556348150 /nfs/dbraw/zinc/34/81/50/556348150.db2.gz XMXPSYSDLCEOEW-QHCPKHFHSA-N 0 3 445.567 4.214 50 0 IIAAHN CC(C)Oc1cccc(C(=O)[C@H]2CCCN(Cc3cn(CC(N)=O)c4ccccc34)C2)c1 ZINC000011817446 556359995 /nfs/dbraw/zinc/35/99/95/556359995.db2.gz MHQKFKXPZLTYQA-FQEVSTJZSA-N 0 3 433.552 4.009 50 0 IIAAHN COc1cccc(-c2nn(-c3ccccc3)cc2CN2CCC[C@H](CN3CCCC3=O)C2)c1 ZINC000011955783 556380743 /nfs/dbraw/zinc/38/07/43/556380743.db2.gz VNDCFUXOEGBJQM-NRFANRHFSA-N 0 3 444.579 4.382 50 0 IIAAHN CCN1C(=O)N(Cc2cccc3ccccc32)C(=O)C12CCN(Cc1ccc(O)cc1)CC2 ZINC000014752975 556444047 /nfs/dbraw/zinc/44/40/47/556444047.db2.gz YDGMKXGBDHJPDP-UHFFFAOYSA-N 0 3 443.547 4.364 50 0 IIAAHN CCN(CC)C(=O)[C@@H]1CCCN(Cc2ccc3c(c2)CN(Cc2ccccc2)CCO3)C1 ZINC000014958908 556463510 /nfs/dbraw/zinc/46/35/10/556463510.db2.gz RBICZGAHVDWGTG-XMMPIXPASA-N 0 3 435.612 4.162 50 0 IIAAHN COc1ccc(Cl)cc1NC(=O)[C@H]1C[C@H](C(C)C)N[C@]12C(=O)Nc1c2cccc1Cl ZINC000013592269 556530349 /nfs/dbraw/zinc/53/03/49/556530349.db2.gz KSMUUSWQCYHCEL-YGHRGLEHSA-N 0 3 448.350 4.422 50 0 IIAAHN CCc1nnc2c(NCCCN3CCN(c4cccc(C)c4)[C@H](C)C3)nc3ccccc3n12 ZINC000036370585 556597227 /nfs/dbraw/zinc/59/72/27/556597227.db2.gz TYMWHFTVRWQVGA-HXUWFJFHSA-N 0 3 443.599 4.161 50 0 IIAAHN Cc1ccc(CN(C(=O)c2cccc(F)c2)c2ccc(CC(=O)NCCN(C)C)cc2)cc1 ZINC000037556447 556644928 /nfs/dbraw/zinc/64/49/28/556644928.db2.gz BGXYVGIMXCPPDJ-UHFFFAOYSA-N 0 3 447.554 4.201 50 0 IIAAHN Cc1ccc(NC(=O)NCc2ccccc2CN2CCC(O)CC2)c(Br)c1 ZINC000072314276 556697090 /nfs/dbraw/zinc/69/70/90/556697090.db2.gz IKNICILNXSGQQV-UHFFFAOYSA-N 0 3 432.362 4.036 50 0 IIAAHN CCCN1CCN(c2ncnc3sc(C(=O)Nc4ccc(F)cc4C)c(C)c32)CC1 ZINC000033048466 556744946 /nfs/dbraw/zinc/74/49/46/556744946.db2.gz UOTXJOHAMBNSQX-UHFFFAOYSA-N 0 3 427.549 4.232 50 0 IIAAHN O=C(CSc1nnc(-c2c[nH]c3ccccc32)o1)NC1CCN(Cc2ccccc2)CC1 ZINC000011192524 556796658 /nfs/dbraw/zinc/79/66/58/556796658.db2.gz ZABZDRILZWSPOJ-UHFFFAOYSA-N 0 3 447.564 4.091 50 0 IIAAHN COCc1ncc(CN2CC[C@H](c3ccnc(-c4ccc(-c5cc[nH]n5)cc4)c3)C2)cn1 ZINC000065409596 556836108 /nfs/dbraw/zinc/83/61/08/556836108.db2.gz GLDKBGVCNCKRTI-QFIPXVFZSA-N 0 3 426.524 4.065 50 0 IIAAHN CCOc1ccc(CN2CCN(C[C@@H](O)Cn3c4ccccc4c4ccccc43)CC2)cc1 ZINC000019891734 556939455 /nfs/dbraw/zinc/93/94/55/556939455.db2.gz OXQRYRABXLSCLE-HSZRJFAPSA-N 0 3 443.591 4.372 50 0 IIAAHN O=C(CC1C(=O)N(Cc2cccnc2)c2nc3ccccc3n21)Nc1ccccc1Cl ZINC000020103597 556981341 /nfs/dbraw/zinc/98/13/41/556981341.db2.gz WOLYPMALZPMXKH-FQEVSTJZSA-N 0 3 431.883 4.201 50 0 IIAAHN COC(=O)c1ccc(CN2CCC[C@H](c3nnc(SCc4ccccc4)n3C)C2)cc1 ZINC000020385640 557012406 /nfs/dbraw/zinc/01/24/06/557012406.db2.gz SWNVBMMLMFOXKX-NRFANRHFSA-N 0 3 436.581 4.274 50 0 IIAAHN CCN(CC)CCN(C(=O)[C@H]1COc2ccccc2O1)c1nc2c(cc(F)cc2F)s1 ZINC000013958430 557014894 /nfs/dbraw/zinc/01/48/94/557014894.db2.gz TYTZYUBKEOUVLM-GOSISDBHSA-N 0 3 447.507 4.089 50 0 IIAAHN O=C(CC1C(=O)N(C[C@H]2CCCO2)c2nc3ccccc3n21)Nc1cccc2ccccc21 ZINC000023382311 557089532 /nfs/dbraw/zinc/08/95/32/557089532.db2.gz DCFDFPVSRRPJKH-JPYJTQIMSA-N 0 3 440.503 4.285 50 0 IIAAHN Cc1ccc(NC(=O)CC2C(=O)N(C[C@H]3CCCO3)c3nc4ccccc4n32)c(Cl)c1 ZINC000023382290 557089652 /nfs/dbraw/zinc/08/96/52/557089652.db2.gz PWLNDPWHOUZPKF-QRWLVFNGSA-N 0 3 438.915 4.094 50 0 IIAAHN CC[C@H](C)[C@@H](NC(=O)C1CCC(C)CC1)C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000004778587 557112668 /nfs/dbraw/zinc/11/26/68/557112668.db2.gz SNJNEGRMALSFKO-MQOLZXHDSA-N 0 3 427.633 4.124 50 0 IIAAHN CC(C)C[C@@H](NC(=O)C1CCC(C)CC1)C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000004778566 557112762 /nfs/dbraw/zinc/11/27/62/557112762.db2.gz VZCRDVGYLXFPLU-LLAFXHEGSA-N 0 3 427.633 4.124 50 0 IIAAHN COc1ccccc1[C@H]1c2c(oc3cc(C)c(Cl)cc3c2=O)C(=O)N1CCCN(C)C ZINC000011614610 557209874 /nfs/dbraw/zinc/20/98/74/557209874.db2.gz SNNLRRZWKAUOJQ-NRFANRHFSA-N 0 3 440.927 4.260 50 0 IIAAHN COc1ccc(-c2cnc3ncnn3c2N2CCN(Cc3c(C)cc(C)cc3C)CC2)cc1 ZINC000023461130 557360948 /nfs/dbraw/zinc/36/09/48/557360948.db2.gz FVNUXHNCBVOEBJ-UHFFFAOYSA-N 0 3 442.567 4.047 50 0 IIAAHN CCN1CCN(c2ccc(NC(=O)c3ccc(NC(=O)c4ccco4)s3)cc2C)CC1 ZINC000023700984 557371852 /nfs/dbraw/zinc/37/18/52/557371852.db2.gz YWQIZRTXOAXIPQ-UHFFFAOYSA-N 0 3 438.553 4.296 50 0 IIAAHN O=C1[C@@H]2C(=C([O-])N1c1ccc(Br)cc1)ON(c1ccccc1)[C@H]2c1ccco1 ZINC000103019889 557416341 /nfs/dbraw/zinc/41/63/41/557416341.db2.gz MZONRPRPYPAYIM-GBESFXJTSA-N 0 3 439.265 4.093 50 0 IIAAHN O=C1C2ON(c3ccccc3)[C@@H](c3ccco3)[C@@H]2C(=O)N1c1ccc(Br)cc1 ZINC000103019889 557416344 /nfs/dbraw/zinc/41/63/44/557416344.db2.gz MZONRPRPYPAYIM-GBESFXJTSA-N 0 3 439.265 4.093 50 0 IIAAHN COCCN(C[C@H]1CN(Cc2cc(C)c(C)o2)C[C@@H]1c1cccc(F)c1)C(=O)C(C)C ZINC000105050988 557474758 /nfs/dbraw/zinc/47/47/58/557474758.db2.gz PEYPYEUNCXYNSV-ZJSXRUAMSA-N 0 3 430.564 4.382 50 0 IIAAHN C/C(=C\c1ccccc1)CN1CCc2nnc([C@H](CC(C)C)NC(=O)c3ccco3)n2CC1 ZINC000012042140 557525429 /nfs/dbraw/zinc/52/54/29/557525429.db2.gz OXKAHCNZPABTOH-YDPLAMGBSA-N 0 3 447.583 4.350 50 0 IIAAHN Cc1cccc(NC(=O)[C@H]2CCCN(C[C@@H](O)COc3ccc(-c4ccccc4)cc3)C2)n1 ZINC000109041958 557545657 /nfs/dbraw/zinc/54/56/57/557545657.db2.gz GVNMHVVYSJLPOU-BJKOFHAPSA-N 0 3 445.563 4.147 50 0 IIAAHN COc1ccccc1C1=NN2[C@@H](C1)c1cc(Br)ccc1OC21CCN(C)CC1 ZINC000008836530 562965056 /nfs/dbraw/zinc/96/50/56/562965056.db2.gz FXHJPAYQNLCTQC-IBGZPJMESA-N 0 3 442.357 4.423 50 0 IIAAHN O=C1N(Cc2cccc(Cl)c2)C[C@@H]2C[C@@H](c3cccn3-c3cccnc3)N3CCC[C@@]123 ZINC000013595306 562996647 /nfs/dbraw/zinc/99/66/47/562996647.db2.gz FNWFEIKJROTDLD-QXWFJRNPSA-N 0 3 432.955 4.464 50 0 IIAAHN CN(C)CCN(C[C@H]1CCCN(Cc2ccccc2F)C1)C(=O)c1ccc2ccccc2n1 ZINC000015076665 568636317 /nfs/dbraw/zinc/63/63/17/568636317.db2.gz RNNKBRLICDAYKR-NRFANRHFSA-N 0 3 448.586 4.290 50 0 IIAAHN COc1ccc(NC(=O)[C@@H]2C[C@H](CC(C)C)N[C@@]23C(=O)Nc2c3cc(C)cc2Cl)cc1 ZINC000064198144 568893393 /nfs/dbraw/zinc/89/33/93/568893393.db2.gz VRKKVUUNLQWSCP-TVVUZDRGSA-N 0 3 441.959 4.467 50 0 IIAAHN O=C(/C=C/c1ccc(OCc2ccccn2)cc1)NC1CCN(Cc2ccccc2)CC1 ZINC000036397481 568896339 /nfs/dbraw/zinc/89/63/39/568896339.db2.gz XUDKMJXSNAPPPL-SDNWHVSQSA-N 0 3 427.548 4.455 50 0 IIAAHN CCOc1ccc(CNC(=O)C2CCN(Cc3cn(C)c4ccc(OC)cc34)CC2)cc1 ZINC000064669683 568943375 /nfs/dbraw/zinc/94/33/75/568943375.db2.gz JUQNHOJKUQOCAM-UHFFFAOYSA-N 0 3 435.568 4.114 50 0 IIAAHN O=C(NCc1cccc(F)c1)[C@@H]1Cc2ccccc2N2CCN(CCc3ccccc3)C[C@@H]12 ZINC000169679295 568990872 /nfs/dbraw/zinc/99/08/72/568990872.db2.gz ZMINZEFTLSFHMP-VPUSJEBWSA-N 0 3 443.566 4.048 50 0 IIAAHN CC(=O)Nc1ccc(C(=O)NC2CCN(Cc3ccccc3)CC2)c(N2CCCCC2)c1 ZINC000065165720 569113046 /nfs/dbraw/zinc/11/30/46/569113046.db2.gz UPQMMXWVNGCTLW-UHFFFAOYSA-N 0 3 434.584 4.030 50 0 IIAAHN O=C(NC[C@@H](c1ccccc1)N1CCCC1)C1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000014076268 569157664 /nfs/dbraw/zinc/15/76/64/569157664.db2.gz ONFHZOZZIIQQKU-NRFANRHFSA-N 0 3 446.517 4.270 50 0 IIAAHN Cc1cnn([C@H]2CCN(Cc3ccccc3)C2)c1NC(=O)c1ccc(Br)o1 ZINC000089702563 569161896 /nfs/dbraw/zinc/16/18/96/569161896.db2.gz ARICPHQRPNDGQN-INIZCTEOSA-N 0 3 429.318 4.246 50 0 IIAAHN FC(F)(F)c1cccc(N2CCN(C3CCN(Cc4nc5ccccc5o4)CC3)CC2)n1 ZINC000252478437 569186160 /nfs/dbraw/zinc/18/61/60/569186160.db2.gz AMHBEUJORHZLFX-UHFFFAOYSA-N 0 3 445.489 4.028 50 0 IIAAHN Cc1nnc(Sc2cc(C(=O)NCCN(C)Cc3ccccc3)c3ccccc3n2)s1 ZINC000003027415 569436328 /nfs/dbraw/zinc/43/63/28/569436328.db2.gz WLHAJBUYXHSTAI-UHFFFAOYSA-N 0 3 449.605 4.408 50 0 IIAAHN COc1cccc(C2=NN3[C@H](C2)c2cc(Br)ccc2OC32CCN(C)CC2)c1 ZINC000008717687 569471108 /nfs/dbraw/zinc/47/11/08/569471108.db2.gz LLPQMWAWLLWZCX-HXUWFJFHSA-N 0 3 442.357 4.423 50 0 IIAAHN Cc1coc2cc3oc(=O)c(CC(=O)NC4CCN(Cc5ccccc5)CC4)c(C)c3cc12 ZINC000008790043 569476004 /nfs/dbraw/zinc/47/60/04/569476004.db2.gz WQGPYAHBVRXEIZ-UHFFFAOYSA-N 0 3 444.531 4.479 50 0 biogenic IIAAHN O=C(NCc1ccccc1CN1CCCCC1)[C@H]1CCCN(C(=O)Nc2ccccc2)C1 ZINC000008855779 569479758 /nfs/dbraw/zinc/47/97/58/569479758.db2.gz HBVKJJPUEMEEKK-QHCPKHFHSA-N 0 3 434.584 4.233 50 0 IIAAHN COc1ccc(NC(=O)[C@@H]2C[C@H](C(C)C)N[C@@]23C(=O)Nc2c3cc(C)cc2Cl)cc1 ZINC000008971241 569492708 /nfs/dbraw/zinc/49/27/08/569492708.db2.gz PPNMCXKNCCYTNP-GEQKSPFYSA-N 0 3 427.932 4.077 50 0 IIAAHN COC1CCN(Cc2ccc(C(=O)Nc3nc(CN4CCC(C)CC4)cs3)cc2)CC1 ZINC000040153416 569493633 /nfs/dbraw/zinc/49/36/33/569493633.db2.gz GCUALQZLGJWJPA-UHFFFAOYSA-N 0 3 442.629 4.238 50 0 IIAAHN CC[C@H](C)CN(CC(=O)N1CCc2sccc2[C@H]1COc1ccc(F)cc1)C[C@H](C)O ZINC000245330065 569504027 /nfs/dbraw/zinc/50/40/27/569504027.db2.gz WUMWIJAUPGVCBR-NPPFBWRTSA-N 0 3 448.604 4.121 50 0 IIAAHN CCN(CC)CCN1C(=O)c2oc3cc(C)c(C)cc3c(=O)c2[C@H]1c1ccccc1OC ZINC000009328291 569522817 /nfs/dbraw/zinc/52/28/17/569522817.db2.gz DYGBVXMRYBOWDE-HSZRJFAPSA-N 0 3 434.536 4.305 50 0 IIAAHN Cc1ccc2c(c1)-c1c(c(C(=O)NC3CCN(Cc4ccccc4)CC3)nn1C)CS2 ZINC000009527802 569544683 /nfs/dbraw/zinc/54/46/83/569544683.db2.gz UVMSBQDJHFGYQZ-UHFFFAOYSA-N 0 3 432.593 4.396 50 0 IIAAHN COc1cc2c(cc1OC)CN(C(=O)C1CN(C(c3ccccc3)c3ccccc3)C1)CC2 ZINC000070666287 569550551 /nfs/dbraw/zinc/55/05/51/569550551.db2.gz WFQXZWBPSUZNFF-UHFFFAOYSA-N 0 3 442.559 4.310 50 0 biogenic IIAAHN CN(C)Cc1ccccc1CNC(=O)c1cc(Br)c(Br)s1 ZINC000009917017 569573486 /nfs/dbraw/zinc/57/34/86/569573486.db2.gz AZKSVJQVMRRSBP-UHFFFAOYSA-N 0 3 432.181 4.265 50 0 IIAAHN CCN(CC)CCN(C(=O)c1ccc2c(c1)OCCO2)c1nc2c(cccc2F)s1 ZINC000010066781 569577550 /nfs/dbraw/zinc/57/75/50/569577550.db2.gz XERMPQQVSPUTCB-UHFFFAOYSA-N 0 3 429.517 4.195 50 0 IIAAHN Cc1ccc(N2CCN(CCc3nc4cc(NC(=O)c5ccco5)ccc4n3C)CC2)cc1 ZINC000002331811 132252228 /nfs/dbraw/zinc/25/22/28/132252228.db2.gz NILACXQOPZTKMT-UHFFFAOYSA-N 0 3 443.551 4.092 50 0 IIAAHN CCC(CC)N1CCN(c2ccc3nc(C(=O)NCc4ccc(C)cc4)ccc3n2)CC1 ZINC000006996598 132280234 /nfs/dbraw/zinc/28/02/34/132280234.db2.gz SEXAUTAXKDMDQS-UHFFFAOYSA-N 0 3 431.584 4.179 50 0 IIAAHN CCN1CCN(c2ccc(NC(=O)c3cccc(OCc4c(C)noc4C)c3)cc2)CC1 ZINC000009716862 132327380 /nfs/dbraw/zinc/32/73/80/132327380.db2.gz GWRWMNIRHXNNNF-UHFFFAOYSA-N 0 3 434.540 4.265 50 0 IIAAHN CC(=O)NC[C@H]1CCCN(Cc2cn(-c3ccc(F)cc3F)nc2-c2ccccc2C)C1 ZINC000012459457 519673528 /nfs/dbraw/zinc/67/35/28/519673528.db2.gz UXCJMPUKUUYIJP-LJQANCHMSA-N 0 3 438.522 4.474 50 0 IIAAHN CC(C)OCCCn1cnc2sc3c(c2c1=O)CC[C@H](NCc1c(F)cccc1F)C3 ZINC000020775036 519765064 /nfs/dbraw/zinc/76/50/64/519765064.db2.gz SDALQPQQVXNXBI-HNNXBMFYSA-N 0 3 447.551 4.198 50 0 IIAAHN CC(C)[C@@H](NC(=O)Nc1ccccc1)C(=O)NC[C@H](c1cccs1)N1CCC(C)CC1 ZINC000032983104 519797857 /nfs/dbraw/zinc/79/78/57/519797857.db2.gz QPPOJLPOHJSDFK-IFMALSPDSA-N 0 3 442.629 4.484 50 0 IIAAHN CC(C)[C@H](NCC(=O)N1c2ccccc2NC(=O)C[C@H]1C(F)(F)F)c1cccs1 ZINC000021315730 519820636 /nfs/dbraw/zinc/82/06/36/519820636.db2.gz ZLPLVMBMLKIENN-LPHOPBHVSA-N 0 3 425.476 4.341 50 0 IIAAHN CCOC(=O)c1cccc(NC(=O)NCc2c3c(sc2-n2cccc2)CN(C)CC3)c1 ZINC000020927230 521540692 /nfs/dbraw/zinc/54/06/92/521540692.db2.gz CXBKOKMWZIEDOW-UHFFFAOYSA-N 0 3 438.553 4.025 50 0 IIAAHN CCOC(=O)c1noc2nc(C)nc(NCC3CCN(Cc4ccccc4Cl)CC3)c21 ZINC000021539153 521606777 /nfs/dbraw/zinc/60/67/77/521606777.db2.gz TWRZWRLYOZRZTM-UHFFFAOYSA-N 0 3 443.935 4.080 50 0 IIAAHN CCN1CCN(Cc2ccc(Nc3ncnc4onc(-c5ccc(F)cc5)c43)cc2)CC1 ZINC000020574512 521688931 /nfs/dbraw/zinc/68/89/31/521688931.db2.gz NFNBDIOOPHIIJW-UHFFFAOYSA-N 0 3 432.503 4.305 50 0 IIAAHN CN(C)CCNc1nc2nn(-c3ccc(C(F)(F)F)cc3)c(N)c2c(-c2ccccc2)n1 ZINC000035929601 521792543 /nfs/dbraw/zinc/79/25/43/521792543.db2.gz DVKRKVXENMEJSS-UHFFFAOYSA-N 0 3 441.461 4.057 50 0 IIAAHN CN(Cc1ccccc1CN1CCCC1)C(=O)[C@H]1CCC(=O)N(CC2CCCCC2)C1 ZINC000012712981 523360344 /nfs/dbraw/zinc/36/03/44/523360344.db2.gz YTIDRDRBMJMXCW-DEOSSOPVSA-N 0 3 425.617 4.060 50 0 IIAAHN COc1ccc(C(=O)N2CCCC2)c(OC2CCN([C@H](C)COc3ccccc3)CC2)c1 ZINC000014960054 523630213 /nfs/dbraw/zinc/63/02/13/523630213.db2.gz KAZUPSLQVNOPLS-HXUWFJFHSA-N 0 3 438.568 4.242 50 0 IIAAHN CCc1cc(C(=O)N(CC(C)C)CC2CCN(Cc3ccccc3OC)CC2)n(C)n1 ZINC000012713362 523748011 /nfs/dbraw/zinc/74/80/11/523748011.db2.gz XLDHMJKSJUXDME-UHFFFAOYSA-N 0 3 426.605 4.002 50 0 IIAAHN COc1ccc(CNC(=O)CC[C@H]2CCCN(Cc3cc(C)c(O)c(C)c3)C2)c(OC)c1 ZINC000012373313 524048404 /nfs/dbraw/zinc/04/84/04/524048404.db2.gz PULALPZCLBOWLB-HXUWFJFHSA-N 0 3 440.584 4.335 50 0 IIAAHN COc1ccccc1C(=O)N[C@@H]1c2ccccc2C2(CCN(Cc3cccs3)CC2)[C@H]1O ZINC000012099384 524354813 /nfs/dbraw/zinc/35/48/13/524354813.db2.gz DKOSBEVWWGIKDW-RPWUZVMVSA-N 0 3 448.588 4.136 50 0 IIAAHN COc1ccccc1CN1CCC(CN(CC(C)C)C(=O)c2cc(C)c(C)[nH]c2=O)CC1 ZINC000012472401 524447525 /nfs/dbraw/zinc/44/75/25/524447525.db2.gz DTHYFHLUOLYZRK-UHFFFAOYSA-N 0 3 439.600 4.011 50 0 IIAAHN COc1ccc(NC(=O)CC2C(=O)N(Cc3cccc(C)c3)c3nc4ccccc4n32)cc1 ZINC000021005939 524522267 /nfs/dbraw/zinc/52/22/67/524522267.db2.gz SHFIERGYMBDPEN-QHCPKHFHSA-N 0 3 440.503 4.470 50 0 IIAAHN CSCCCNCc1c(C(=O)N2CCc3ccccc3C2)nc2ccc(Cl)cn21 ZINC000012316411 525477993 /nfs/dbraw/zinc/47/79/93/525477993.db2.gz ZFKPGKPLZINNAA-UHFFFAOYSA-N 0 3 428.989 4.029 50 0 IIAAHN COc1cccc(CN2CCC[C@H](N3CCN(c4cccc(Cl)c4)CC3)C2)c1OC ZINC000020453254 525937370 /nfs/dbraw/zinc/93/73/70/525937370.db2.gz FOXYTLHYKXVJER-QFIPXVFZSA-N 0 3 429.992 4.144 50 0 IIAAHN COc1cccc(OC)c1CN1CCC[C@H](c2ccnc(SCCN3CCCC3)n2)C1 ZINC000012281441 526222574 /nfs/dbraw/zinc/22/25/74/526222574.db2.gz IDPHSKHLOCLGCE-IBGZPJMESA-N 0 3 442.629 4.061 50 0 IIAAHN Cc1ccc(C)c(-n2cc(CN3CCC(N4CCOCC4)CC3)c(-c3ccccc3)n2)c1 ZINC000012442242 526257321 /nfs/dbraw/zinc/25/73/21/526257321.db2.gz VUBCSBZCBUHACT-UHFFFAOYSA-N 0 3 430.596 4.453 50 0 IIAAHN COC(=O)c1sc(N2C(=O)c3oc4ccccc4c(=O)c3C2c2cccs2)nc1C ZINC000001111636 555631942 /nfs/dbraw/zinc/63/19/42/555631942.db2.gz MDSJSNCABOJXGM-HNNXBMFYSA-N 0 3 438.486 4.156 50 0 IIAAHN CCOc1cc(CNCc2ccccc2)cc(Br)c1OCC(=O)NC(C)(C)C ZINC000008443848 556178333 /nfs/dbraw/zinc/17/83/33/556178333.db2.gz NIXKGAQZUAODFB-UHFFFAOYSA-N 0 3 449.389 4.431 50 0 IIAAHN COc1ccc([C@@H]2N(c3ccccc3)OC3C(=O)N(c4ccc(C)cc4)C(=O)[C@@]32C)cc1 ZINC000008738043 556205058 /nfs/dbraw/zinc/20/50/58/556205058.db2.gz MYERLJKKPCTZKL-JCYRPKCISA-N 0 3 428.488 4.445 50 0 IIAAHN Fc1ccccc1COc1ccccc1CNCCSc1nnnn1-c1ccccc1 ZINC000009249985 556267387 /nfs/dbraw/zinc/26/73/87/556267387.db2.gz VJWUNIMSTAZBPH-UHFFFAOYSA-N 0 3 435.528 4.262 50 0 IIAAHN Cc1ccccc1C(=O)N[C@@H](C)c1nnc2n1CCN(Cc1cc3ccccc3s1)CC2 ZINC000011814449 556357574 /nfs/dbraw/zinc/35/75/74/556357574.db2.gz YIHVIMNWQXNXHE-SFHVURJKSA-N 0 3 445.592 4.351 50 0 IIAAHN COCCNC(=O)c1ccc(OC2CCN([C@@H](C)Cc3ccc(F)cc3)CC2)c(Cl)c1 ZINC000011842668 556365904 /nfs/dbraw/zinc/36/59/04/556365904.db2.gz MIHJOOUUPZGPRN-KRWDZBQOSA-N 0 3 448.966 4.330 50 0 IIAAHN COc1cccc(CN2CCC[C@H](CCC(=O)NCc3ccc(OC)cc3OC)C2)c1 ZINC000011843102 556366230 /nfs/dbraw/zinc/36/62/30/556366230.db2.gz VZGCQNMMVPAGLU-LJQANCHMSA-N 0 3 426.557 4.021 50 0 IIAAHN CN1CCN(CCCNc2ncnc3cc(-c4ccc(Br)cc4)sc32)CC1 ZINC000032806377 556368597 /nfs/dbraw/zinc/36/85/97/556368597.db2.gz BPCQLQZRAAKZJV-UHFFFAOYSA-N 0 3 446.418 4.170 50 0 IIAAHN CN(C)CCN(C[C@@H]1CCCN(Cc2ccccc2F)C1)C(=O)CCc1ccccc1 ZINC000011879502 556371694 /nfs/dbraw/zinc/37/16/94/556371694.db2.gz BWMJXJRGKIIERS-HSZRJFAPSA-N 0 3 425.592 4.061 50 0 IIAAHN COc1ccccc1CCNC(=O)[C@@H]1CC12CCN(Cc1ccc3ncccc3c1)CC2 ZINC000011912693 556375618 /nfs/dbraw/zinc/37/56/18/556375618.db2.gz PPASBEVCAMPGQE-QHCPKHFHSA-N 0 3 429.564 4.204 50 0 IIAAHN Cc1c[nH]c(CN(C)C(=O)c2cccc(OC3CCN(CCc4ccccc4)CC3)c2)n1 ZINC000011935558 556378367 /nfs/dbraw/zinc/37/83/67/556378367.db2.gz AOQRPTJSFUSIKB-UHFFFAOYSA-N 0 3 432.568 4.076 50 0 IIAAHN COc1ccccc1/C=C/CN1CCC2(C[C@H]2C(=O)NCCc2ccccc2OC)CC1 ZINC000012040991 556390872 /nfs/dbraw/zinc/39/08/72/556390872.db2.gz YOZSDIKRXKXMQK-KXOMFBTKSA-N 0 3 434.580 4.178 50 0 IIAAHN COc1ccc([C@@H](CNC(=O)c2cc(-c3ccc(Br)cc3)on2)N(C)C)cc1 ZINC000032622349 556409620 /nfs/dbraw/zinc/40/96/20/556409620.db2.gz KWPYQJURNMSSHV-LJQANCHMSA-N 0 3 444.329 4.145 50 0 IIAAHN COc1cc2c(cc1OC)CN(C(=O)NC[C@H](c1cccs1)N1CCC(C)CC1)CC2 ZINC000032843801 556428945 /nfs/dbraw/zinc/42/89/45/556428945.db2.gz MBFIXGXTYQZPTK-HXUWFJFHSA-N 0 3 443.613 4.306 50 0 IIAAHN CCC(=O)N[C@H](c1nnc2n1CCN(Cc1ccc(-c3ccccc3)cc1)CC2)C(C)C ZINC000015068186 556494248 /nfs/dbraw/zinc/49/42/48/556494248.db2.gz DMGMIJOKKCEIQL-VWLOTQADSA-N 0 3 431.584 4.227 50 0 IIAAHN COCCOC(=O)Nc1cccc(NC(=O)N2CCCN(Cc3ccccc3)C[C@H]2C)c1 ZINC000072294209 556506536 /nfs/dbraw/zinc/50/65/36/556506536.db2.gz ATSWNMRZFPONPF-LJQANCHMSA-N 0 3 440.544 4.010 50 0 IIAAHN Cc1ccc(NC(=O)CC2C(=O)N(Cc3cccnc3)c3nc4ccccc4n32)c(C)c1 ZINC000030937589 556515314 /nfs/dbraw/zinc/51/53/14/556515314.db2.gz DMENJXBEEUPIGW-JOCHJYFZSA-N 0 3 425.492 4.165 50 0 IIAAHN COc1ccc(Cl)cc1NC(=O)c1c(NC(=O)CNCC(C)C)sc2c1CCC2 ZINC000015946667 556567777 /nfs/dbraw/zinc/56/77/77/556567777.db2.gz PDHUTNUESJOIBY-UHFFFAOYSA-N 0 3 435.977 4.335 50 0 IIAAHN CCOC(=O)CCN(C[C@@H]1CCCN1CC)C(=O)c1cnc(-c2ccc(C)cc2C)s1 ZINC000060267303 556601174 /nfs/dbraw/zinc/60/11/74/556601174.db2.gz BDJHLKSIMDPAEI-IBGZPJMESA-N 0 3 443.613 4.307 50 0 IIAAHN COc1cc(C(=O)NC[C@@H](c2ccccc2)N(C)C)cc(OC)c1OCc1ccccc1 ZINC000016599859 556616774 /nfs/dbraw/zinc/61/67/74/556616774.db2.gz XVDJFGLGBIBPJL-QFIPXVFZSA-N 0 3 434.536 4.316 50 0 IIAAHN CN(C)[C@H](CNc1cnn(-c2ccc(C(F)(F)F)cn2)c(=O)c1Cl)C1CCCCC1 ZINC000032927009 556656060 /nfs/dbraw/zinc/65/60/60/556656060.db2.gz ABGVUXXEXYDKCU-MRXNPFEDSA-N 0 3 443.901 4.222 50 0 IIAAHN CC(C)C[C@@H]1[C@H]2C(=O)N(c3ccc(Br)cc3)C(=O)C2ON1c1ccccc1 ZINC000137840518 556698763 /nfs/dbraw/zinc/69/87/63/556698763.db2.gz OJTVJQQTIRDHQH-GUDVDZBRSA-N 0 3 429.314 4.174 50 0 IIAAHN CN(C)CCNC(=O)c1cccc([C@H]2CCCN(C(=O)Nc3ccc(Cl)cc3)C2)c1 ZINC000033035300 556717726 /nfs/dbraw/zinc/71/77/26/556717726.db2.gz RCOQFIAFBRIYJC-IBGZPJMESA-N 0 3 428.964 4.043 50 0 IIAAHN CN(C)CCN(Cc1cccnc1)C(=O)Nc1cc(C(F)(F)F)ccc1N1CCCC1 ZINC000058112209 556758937 /nfs/dbraw/zinc/75/89/37/556758937.db2.gz AEJQTLXBTMTBMG-UHFFFAOYSA-N 0 3 435.494 4.296 50 0 IIAAHN Cc1ccc([C@@H](CNC(=O)[C@@H]2CCCN2C(=O)c2cc(Cl)ccc2Cl)N(C)C)cc1 ZINC000062580305 556835915 /nfs/dbraw/zinc/83/59/15/556835915.db2.gz HDAKQDGLQOSIOB-LEWJYISDSA-N 0 3 448.394 4.326 50 0 IIAAHN COCCCN1C(=O)C(CC(=O)Nc2cccc(Cl)c2Cl)n2c3ccccc3nc21 ZINC000023382057 557089149 /nfs/dbraw/zinc/08/91/49/557089149.db2.gz AUEUVXKCEBAGQA-KRWDZBQOSA-N 0 3 447.322 4.296 50 0 IIAAHN CC1CCN([C@@H](CNC(=O)C2CCN(C(=O)c3cccs3)CC2)c2cccs2)CC1 ZINC000024987485 557186761 /nfs/dbraw/zinc/18/67/61/557186761.db2.gz RGENRJFACRMHBU-IBGZPJMESA-N 0 3 445.654 4.251 50 0 IIAAHN CC[NH+](CC)[C@@H](CN1CCN(C[C@@H](C)C(=O)c2ccc([O-])cc2)CC1)c1ccc(F)cc1 ZINC000096316551 557198458 /nfs/dbraw/zinc/19/84/58/557198458.db2.gz OLQANDAZOREQMH-NLFFAJNJSA-N 0 3 441.591 4.051 50 0 IIAAHN Cc1ccc2nc(COc3ccc(C(=O)NC[C@H](c4ccccc4)N(C)C)cc3)cn2c1 ZINC000011595236 557206836 /nfs/dbraw/zinc/20/68/36/557206836.db2.gz GNWLMOQYTZEVPK-XMMPIXPASA-N 0 3 428.536 4.254 50 0 IIAAHN CCCC[C@@H]1[C@H]2C(=O)N(c3ccc(Br)cc3)C(=O)C2ON1c1ccccc1 ZINC000018097679 557236686 /nfs/dbraw/zinc/23/66/86/557236686.db2.gz HZCHVXGZXPEOCQ-QRVBRYPASA-N 0 3 429.314 4.318 50 0 IIAAHN COc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)C3ON2c2ccccc2)cc1 ZINC000102196373 557314610 /nfs/dbraw/zinc/31/46/10/557314610.db2.gz OJWSVBCPLATMAB-YPAWHYETSA-N 0 3 434.879 4.400 50 0 IIAAHN O=C(NC[C@@H](c1ccccc1)N1CCCC1)c1ccc2c(c1)nc1n(c2=O)CCCCCC1 ZINC000023554592 557366263 /nfs/dbraw/zinc/36/62/63/557366263.db2.gz KKUQVLVADUXOMN-DEOSSOPVSA-N 0 3 444.579 4.080 50 0 IIAAHN CCN1CCN(Cc2ccc(Nc3onc(-c4ccc(F)cc4)c3C(=O)OC)cc2)CC1 ZINC000046914461 557513795 /nfs/dbraw/zinc/51/37/95/557513795.db2.gz KSMAQGVPZINKMR-UHFFFAOYSA-N 0 3 438.503 4.148 50 0 IIAAHN Cn1ccc2cc(NC(=O)[C@]3(C)CCC(=O)N3C3CCN(Cc4ccccc4)CC3)ccc21 ZINC000108638411 557543385 /nfs/dbraw/zinc/54/33/85/557543385.db2.gz YWIGTKXCSKHRGA-MHZLTWQESA-N 0 3 444.579 4.163 50 0 IIAAHN CCCN1CCN(c2ccc(NC(=O)CCCc3csc(C)n3)c(OCC)c2)CC1 ZINC000225555693 557741691 /nfs/dbraw/zinc/74/16/91/557741691.db2.gz CVSMPQYUPYTJMW-UHFFFAOYSA-N 0 3 430.618 4.344 50 0 IIAAHN COc1ccc(CN2CCC(CNC(=O)C(C)(C)Cc3nc4ccccc4[nH]3)CC2)cc1 ZINC000225604799 557750427 /nfs/dbraw/zinc/75/04/27/557750427.db2.gz JSTLNPDXKDJABC-UHFFFAOYSA-N 0 3 434.584 4.169 50 0 IIAAHN CC(C)(C)OC(=O)N1CCC[C@@H](N(CCOc2ccccc2)Cc2cncnc2)CC1 ZINC000241653392 557846893 /nfs/dbraw/zinc/84/68/93/557846893.db2.gz PUUBTFHNBRNYAT-OAQYLSRUSA-N 0 3 426.561 4.147 50 0 IIAAHN COCCCNC(=O)N[C@@H](CCC(C)C)c1c2c(sc1-n1cccc1)CN(C)CC2 ZINC000008590217 562951573 /nfs/dbraw/zinc/95/15/73/562951573.db2.gz KBUJTBDLHAWKDI-IBGZPJMESA-N 0 3 432.634 4.340 50 0 IIAAHN Cc1cccc([S@@](=O)Cc2ccc(C(=O)NC3CCN(Cc4ccccc4)CC3)o2)c1 ZINC000009115375 562967113 /nfs/dbraw/zinc/96/71/13/562967113.db2.gz MSCGFXHORLAVEK-WJOKGBTCSA-N 0 3 436.577 4.290 50 0 IIAAHN CN(CC1CCN(C[C@@H](O)c2ccccc2)CC1)C(=O)COc1ccc2ccccc2c1 ZINC000083859191 568783796 /nfs/dbraw/zinc/78/37/96/568783796.db2.gz HLMPUXQWTCJCRB-AREMUKBSSA-N 0 3 432.564 4.123 50 0 IIAAHN Cc1ccc(-n2ncc(C(=O)NCCCN(C)Cc3ccccc3)c2-n2cccc2)cc1 ZINC000015681271 568806403 /nfs/dbraw/zinc/80/64/03/568806403.db2.gz NNQQZFPUXAIREH-UHFFFAOYSA-N 0 3 427.552 4.223 50 0 IIAAHN C[C@H]1CC(=O)Nc2cc(S(=O)(=O)[N-]c3ccc(C[NH+]4CCCCC4)cc3)ccc2S1 ZINC000015730594 568814206 /nfs/dbraw/zinc/81/42/06/568814206.db2.gz AQWLCKKUQQHMFE-INIZCTEOSA-N 0 3 445.610 4.296 50 0 IIAAHN CCc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4cccc(OC)c4)[C@H]3C2=O)cc1 ZINC000239439200 568911741 /nfs/dbraw/zinc/91/17/41/568911741.db2.gz ZOJIDIFKCOZITF-TZRRMPRUSA-N 0 3 428.488 4.309 50 0 IIAAHN Cc1ccc(CN(Cc2nc(C(=O)NCCN(C)C)co2)[C@@H](C)c2ccccc2)c(C)c1 ZINC000036073578 568946469 /nfs/dbraw/zinc/94/64/69/568946469.db2.gz FNTSLLJGFZYNRN-NRFANRHFSA-N 0 3 434.584 4.346 50 0 IIAAHN CC[C@H](O)CN(CC(=O)N1CCc2sccc2[C@@H]1COc1cccc(C)c1)CC1CC1 ZINC000036309511 568996125 /nfs/dbraw/zinc/99/61/25/568996125.db2.gz FKTPIQFLWJFSKO-REWPJTCUSA-N 0 3 442.625 4.044 50 0 IIAAHN CN(C)CCN(Cc1c(-c2ccccc2)noc1N1CCCC1)C(=O)c1cccc(F)c1 ZINC000036312434 568997831 /nfs/dbraw/zinc/99/78/31/568997831.db2.gz PWJNOJRKFCOTDU-UHFFFAOYSA-N 0 3 436.531 4.285 50 0 IIAAHN O=C(NC1CCN(C2CC2)CC1)c1cnn(-c2cccc(C(F)(F)F)c2)c1-n1cccc1 ZINC000036397009 569100145 /nfs/dbraw/zinc/10/01/45/569100145.db2.gz NPTVZZKGLNPJNA-UHFFFAOYSA-N 0 3 443.473 4.038 50 0 IIAAHN O=C(CSc1nccnc1Oc1ccccc1)NC1CCN(Cc2ccccc2)CC1 ZINC000065111077 569106249 /nfs/dbraw/zinc/10/62/49/569106249.db2.gz OLPXKNZXOZEGIP-UHFFFAOYSA-N 0 3 434.565 4.142 50 0 IIAAHN O=C(NC[C@H](c1ccccc1)N1CCCC1)C1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000014076265 569157653 /nfs/dbraw/zinc/15/76/53/569157653.db2.gz ONFHZOZZIIQQKU-OAQYLSRUSA-N 0 3 446.517 4.270 50 0 IIAAHN C[C@@H](NC(=O)[C@H]1CCCN1C1CCN(CC(F)(F)F)CC1)c1ccc2c(c1)CCCC2 ZINC000089905069 569167225 /nfs/dbraw/zinc/16/72/25/569167225.db2.gz NEFHOOWMPJESDE-VGOFRKELSA-N 0 3 437.550 4.234 50 0 IIAAHN COc1ccc(CNCCC(=O)N(C)Cc2ccccc2Br)cc1Cl ZINC000237337325 569180137 /nfs/dbraw/zinc/18/01/37/569180137.db2.gz VSZKDNVAMLOVCS-UHFFFAOYSA-N 0 3 425.754 4.249 50 0 IIAAHN O=C(NC[C@@H]1CCCN(Cc2ccc(OC[C@H]3CCCO3)cc2)C1)Nc1cccc(F)c1 ZINC000252517206 569189351 /nfs/dbraw/zinc/18/93/51/569189351.db2.gz BYCCIOMJJFAVHW-GBXCKJPGSA-N 0 3 441.547 4.417 50 0 IIAAHN CN1CCC[C@@H](COC(=O)c2ccc(CNC(N)=O)cc2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000078822690 569319436 /nfs/dbraw/zinc/31/94/36/569319436.db2.gz FDPGNVYSDLXEBN-ICSRJNTNSA-N 0 3 449.473 4.114 50 0 IIAAHN CCOC(=O)c1[nH]c2ccc(OC)cc2c1NC(=S)N1CCN(C2CCCCC2)CC1 ZINC000020131666 569335426 /nfs/dbraw/zinc/33/54/26/569335426.db2.gz RIEIQUYYWMIZJH-UHFFFAOYSA-N 0 3 444.601 4.000 50 0 IIAAHN O=C([C@H]1c2ccccc2C(=O)N2CCc3ccccc3[C@@H]12)N1CCN(C2CCCCC2)CC1 ZINC000020138951 569336121 /nfs/dbraw/zinc/33/61/21/569336121.db2.gz SLIZCCINQZPUTQ-UIOOFZCWSA-N 0 3 443.591 4.000 50 0 IIAAHN O=C(NCc1ccccc1CN1CCC[C@@H]1CO)[C@H]1C[C@H]1c1ccc(Cl)cc1Cl ZINC000096007062 569379456 /nfs/dbraw/zinc/37/94/56/569379456.db2.gz QQJLRDKXZYPOCO-GIVPXCGWSA-N 0 3 433.379 4.370 50 0 IIAAHN Cc1noc(C)c1COc1ccc(C(=O)NC[C@H](c2cccs2)N2CCCC2)cc1 ZINC000008390767 569462714 /nfs/dbraw/zinc/46/27/14/569462714.db2.gz IUUFMAQZAIZCHG-OAQYLSRUSA-N 0 3 425.554 4.499 50 0 IIAAHN CC[C@H](O)CN(CC(=O)N1CCc2sccc2[C@H]1COc1ccc(C)cc1)CC(C)C ZINC000245281341 569502121 /nfs/dbraw/zinc/50/21/21/569502121.db2.gz XIYRZRKEMXNQIO-NZQKXSOJSA-N 0 3 444.641 4.290 50 0 IIAAHN O=c1oc2c(ccc3c2CN(C2CCN(Cc4ccccc4)CC2)CO3)c2c1CCCC2 ZINC000009130627 569506135 /nfs/dbraw/zinc/50/61/35/569506135.db2.gz ZAIXZBROZAMWIW-UHFFFAOYSA-N 0 3 430.548 4.488 50 0 IIAAHN Cc1cc2oc3c(c(=O)c2cc1Cl)[C@@H](c1ccc(F)cc1)N(CCCN(C)C)C3=O ZINC000009328240 569522840 /nfs/dbraw/zinc/52/28/40/569522840.db2.gz XEDHBZVMKHGHLL-HXUWFJFHSA-N 0 3 428.891 4.391 50 0 IIAAHN CN(C(=O)[C@H]1C[C@H]1c1ccc(Br)cc1)C1CCN(CCc2ccncc2)CC1 ZINC000070038451 569529380 /nfs/dbraw/zinc/52/93/80/569529380.db2.gz OXIXMWBFDLHHNS-VXKWHMMOSA-N 0 3 442.401 4.113 50 0 IIAAHN COc1cccc2c1OC1(CCN(C(C)C)CC1)N1N=C(c3ccc4c(c3)OCCO4)C[C@H]21 ZINC000009461557 569537114 /nfs/dbraw/zinc/53/71/14/569537114.db2.gz INFUCCPJKLPGGA-OAQYLSRUSA-N 0 3 449.551 4.210 50 0 IIAAHN CCN(CC)CCN(C(=O)Cc1ccc2c(c1)OCO2)c1nc2c(cccc2C)s1 ZINC000009520998 569544402 /nfs/dbraw/zinc/54/44/02/569544402.db2.gz ANTPCCIZXFDAJW-UHFFFAOYSA-N 0 3 425.554 4.251 50 0 IIAAHN COc1ccc([C@@H](CNC(=O)Cc2csc(-c3ccc(F)cc3)n2)N2CCCC2)cc1 ZINC000009767687 569566956 /nfs/dbraw/zinc/56/69/56/569566956.db2.gz HXPJBNNZOGZNFL-JOCHJYFZSA-N 0 3 439.556 4.454 50 0 IIAAHN CCCN1CCC2(CC1)Oc1c(OC)cccc1[C@H]1CC(c3ccc4c(c3)OCO4)=NN12 ZINC000010214412 569579173 /nfs/dbraw/zinc/57/91/73/569579173.db2.gz HVGAINKJRAMERO-HXUWFJFHSA-N 0 3 435.524 4.170 50 0 IIAAHN CCN(CC)CCN1C(=O)c2oc3cc(C)c(C)cc3c(=O)c2[C@H]1c1cccc(OC)c1 ZINC000010233113 569579529 /nfs/dbraw/zinc/57/95/29/569579529.db2.gz DCEUDXVNAYWKIF-HSZRJFAPSA-N 0 3 434.536 4.305 50 0 IIAAHN O=C(NCc1ccc(Cl)cc1)C(=O)NC[C@@H](c1cccc2ccccc21)N1CCCC1 ZINC000010333897 569581057 /nfs/dbraw/zinc/58/10/57/569581057.db2.gz MFDSRIPKSNCLQO-QHCPKHFHSA-N 0 3 435.955 4.063 50 0 IIAAHN