smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(=O)NCCNC(=O)[C@H]1CN2CC[C@@H]1C[C@@H]2Cn1cc(CSc2ccccc2)nn1 ZINC000008299033 291319707 /nfs/dbraw/zinc/31/97/07/291319707.db2.gz GGVUMNRVZYUWIY-QFUCXCTJSA-N 0 3 442.589 1.533 40 0 biogenic,in-vitro IDABHN CN1CCN(C(=O)[C@@H]2CCC[C@@H](NCc3cccc4c3OCO4)CN(C)C(=O)C2)CC1 ZINC000225406244 291322416 /nfs/dbraw/zinc/32/24/16/291322416.db2.gz ZPAOLZRGOZXFQI-IEBWSBKVSA-N 0 3 430.549 1.296 40 0 biogenic,in-vitro IDABHN O=C(C[C@@H]1C[C@H]2O[C@H](CNCc3ccccc3C(F)(F)F)[C@@H](O)[C@H]2O1)N1CCOCC1 ZINC000225513971 291326866 /nfs/dbraw/zinc/32/68/66/291326866.db2.gz KPCNPKIGGJAUKV-UZKILMIQSA-N 0 3 444.450 1.330 40 0 biogenic,in-vitro IDABHN CCOC(=O)[C@H]1C(=O)N=C(N2CCN(C(=O)OCC)CC2)N[C@@H]1c1ccc(OC)cc1 ZINC000020636933 521278376 /nfs/dbraw/zinc/27/83/76/521278376.db2.gz AHZGAOYLXUFXBJ-IAGOWNOFSA-N 0 3 432.477 1.176 40 0 IDABHN COC[C@H]1CCCN1C(=O)CC[C@@H]1CNC(=O)[C@@H]2C[C@H](NCc3ccc(OC)cc3)CN21 ZINC000020464542 522835788 /nfs/dbraw/zinc/83/57/88/522835788.db2.gz NVYOCVLTZMQKSD-HIUFNZKISA-N 0 3 444.576 1.144 40 0 biogenic,in-vitro IDABHN OC[C@@H]1O[C@H](CNCc2ccc(F)cc2)[C@H](N2CCN(c3ccc(F)cc3)CC2)[C@@H]1O ZINC000020465411 527600667 /nfs/dbraw/zinc/60/06/67/527600667.db2.gz SNYPKWYYTPTELC-WZYRSQIMSA-N 0 3 433.499 1.366 40 0 biogenic,in-vitro IDABHN CN1CCN(CCCNC(=O)C2CCN(S(=O)(=O)Cc3ccccc3F)CC2)CC1 ZINC000030756532 556504934 /nfs/dbraw/zinc/50/49/34/556504934.db2.gz OWIRZWGWAPZLDX-UHFFFAOYSA-N 0 3 440.585 1.121 40 0 IDABHN COC(=O)c1cccc(C(=O)N2CC3(C2)CN(CCc2ccccc2)C[C@@H]2C[C@@H](O)CN23)c1 ZINC000514289253 556625505 /nfs/dbraw/zinc/62/55/05/556625505.db2.gz KIVJNPUTDGGUCK-XZOQPEGZSA-N 0 3 449.551 1.661 40 0 biogenic,in-vitro IDABHN COc1cccc(-c2c3c(ccn(CCCN4CCN(C)CC4)c3=O)nc3ncnn32)c1 ZINC000040398275 556640132 /nfs/dbraw/zinc/64/01/32/556640132.db2.gz QOSCCKKASCACIN-UHFFFAOYSA-N 0 3 433.516 1.752 40 0 IDABHN O=C(COc1ccc(CNC[C@@]2(O)CCN(c3ccccn3)C2)cc1)N1CCOCC1 ZINC000257290908 556716011 /nfs/dbraw/zinc/71/60/11/556716011.db2.gz QETZXEZOVWHAJD-QHCPKHFHSA-N 0 3 426.517 1.050 40 0 IDABHN CCN(CC)CCN1c2ccccc2C(=O)N[C@@]2(C)CN(C(=O)[C@H]3C[C@@H]3C)C[C@H]2C1=O ZINC000019526387 556784451 /nfs/dbraw/zinc/78/44/51/556784451.db2.gz ZIWOYMXXILCMPL-SXTNBDNLSA-N 0 3 426.561 1.978 40 0 IDABHN CCN(CC)CCN1c2ccccc2C(=O)N[C@@]2(C)CN(C(=O)[C@H]3C[C@H]3C)C[C@H]2C1=O ZINC000019526389 556784469 /nfs/dbraw/zinc/78/44/69/556784469.db2.gz ZIWOYMXXILCMPL-HCWCBTOOSA-N 0 3 426.561 1.978 40 0 IDABHN CN1CCN(CCCNC(=O)CCCN2c3cccc4cccc(c34)S2(=O)=O)CC1 ZINC000022934637 557052132 /nfs/dbraw/zinc/05/21/32/557052132.db2.gz PWUKGJDPVGWNRM-UHFFFAOYSA-N 0 3 430.574 1.882 40 0 IDABHN CC(C)CN1Cc2c(C(=O)N3CC[C@H](N(C)C)C3)ncn2-c2ccccc2S1(=O)=O ZINC000096147379 557176976 /nfs/dbraw/zinc/17/69/76/557176976.db2.gz ZFFFVRDBTFJBHE-INIZCTEOSA-N 0 3 431.562 1.809 40 0 IDABHN CCOC(=O)N1CCC(N2CC[C@H](O)[C@@](O)(COc3cc(F)c(F)c(F)c3)C2)CC1 ZINC000585282642 557222129 /nfs/dbraw/zinc/22/21/29/557222129.db2.gz MADNATNVFKQIGP-PXNSSMCTSA-N 0 3 432.439 1.901 40 0 IDABHN CC[C@@]12C=CCN3CC[C@@]4(c5ccc(OC)cc5N[C@@H]4[C@](O)(C(=O)OC)[C@@H]1OC(C)=O)[C@@H]32 ZINC000057517753 557253007 /nfs/dbraw/zinc/25/30/07/557253007.db2.gz DMQBJQRBCCUDSL-HKOQEMOESA-N 0 3 442.512 1.617 40 0 IDABHN COCC(=O)N[C@@H](Cc1ccccc1)C(=O)N1Cc2ccccc2OC[C@H]1CN(C)C ZINC000057773620 557265472 /nfs/dbraw/zinc/26/54/72/557265472.db2.gz KMWATVARLMQEMD-RTWAWAEBSA-N 0 3 425.529 1.712 40 0 IDABHN Cc1ccc(S(=O)(=O)N(CC(=O)NCCCN2CCN(C)CC2)c2ccccc2)cc1 ZINC000022829491 557271213 /nfs/dbraw/zinc/27/12/13/557271213.db2.gz IUHITEVAOGJDSD-UHFFFAOYSA-N 0 3 444.601 1.944 40 0 IDABHN COc1ccc(Cl)cc1N([C@@H](C)C(=O)NCCCN1CCN(C)CC1)S(C)(=O)=O ZINC000022829841 557271242 /nfs/dbraw/zinc/27/12/42/557271242.db2.gz UGYZSAZMPRFHMC-HNNXBMFYSA-N 0 3 447.001 1.257 40 0 IDABHN CCOC(=O)[C@H]1C(=O)N=C(N2CCN(c3ncccn3)CC2)N[C@H]1c1cccc(Cl)c1 ZINC000013640134 557385182 /nfs/dbraw/zinc/38/51/82/557385182.db2.gz UZFVUFJOAJVKQP-SJORKVTESA-N 0 3 442.907 1.658 40 0 IDABHN COCCn1nnnc1[C@@H](c1ccc(OC)cc1OC)N1CCN(C2CCCC2)CC1 ZINC000019594001 557506270 /nfs/dbraw/zinc/50/62/70/557506270.db2.gz XEESOSPONBJQFR-OAQYLSRUSA-N 0 3 430.553 1.986 40 0 IDABHN CN(C)CCOc1ccc(NC(=O)C(C)(C)NS(=O)(=O)Cc2ccc(F)cc2)cn1 ZINC000225923429 557793018 /nfs/dbraw/zinc/79/30/18/557793018.db2.gz LLECYKLHHPAWAM-UHFFFAOYSA-N 0 3 438.525 1.998 40 0 IDABHN COCCOCC(=O)NC[C@@]1(c2ccccc2)CC[C@H](O)[C@@H](N2CCN(C)CC2)CC1 ZINC000257219349 568674026 /nfs/dbraw/zinc/67/40/26/568674026.db2.gz DGMKFORJIYCWQN-FIXSFTCYSA-N 0 3 433.593 1.255 40 0 IDABHN CNC(=O)c1sc2nccnc2c1C1CCN(C2CCN(S(C)(=O)=O)CC2)CC1 ZINC000257251882 568689685 /nfs/dbraw/zinc/68/96/85/568689685.db2.gz JSRIXKCIUDQOCA-UHFFFAOYSA-N 0 3 437.591 1.654 40 0 IDABHN CN(C)CCOc1cccc(C(=O)N[C@H]2CCC[C@H](n3cnc4c3ncnc4N)[C@H]2O)c1 ZINC000257252875 568689964 /nfs/dbraw/zinc/68/99/64/568689964.db2.gz JWLVGKLVURCTAW-LNLFQRSKSA-N 0 3 439.520 1.233 40 0 IDABHN O=C(c1cccc(OCCN2CCCC2)c1)N1CC[C@H](O)[C@@H](n2ccc(=O)[nH]c2=O)CC1 ZINC000257258594 568692422 /nfs/dbraw/zinc/69/24/22/568692422.db2.gz KURZZXLTZSTCMW-PMACEKPBSA-N 0 3 442.516 1.262 40 0 IDABHN CCOc1cc(C[N@@H+]2CCC[C@]3(Cc4c([nH]c(=O)[n-]c4=O)O3)CC2)ccc1OCC(N)=O ZINC000257283172 568703717 /nfs/dbraw/zinc/70/37/17/568703717.db2.gz OXAOLSQCUVQEOD-JOCHJYFZSA-N 0 3 444.488 1.510 40 0 IDABHN CCOc1cc(C[N@H+]2CCC[C@]3(Cc4c([nH]c(=O)[n-]c4=O)O3)CC2)ccc1OCC(N)=O ZINC000257283172 568703718 /nfs/dbraw/zinc/70/37/18/568703718.db2.gz OXAOLSQCUVQEOD-JOCHJYFZSA-N 0 3 444.488 1.510 40 0 IDABHN O=C(NC[C@]1(O)CCCN(c2cnccn2)C1)c1cccc(OCCN2CCCC2)c1 ZINC000257289261 568706482 /nfs/dbraw/zinc/70/64/82/568706482.db2.gz PXVFAYNTEUQMCL-HSZRJFAPSA-N 0 3 425.533 1.713 40 0 IDABHN CNc1cc(N2CCC[C@](O)(CN(C)C(=O)c3ccc(OCCN(C)C)cc3)C2)ncn1 ZINC000257315024 568717786 /nfs/dbraw/zinc/71/77/86/568717786.db2.gz UZOVGXOESPNXDO-QHCPKHFHSA-N 0 3 442.564 1.562 40 0 IDABHN CC(=O)N1CCN([C@H]2CCN(C(=O)c3cc(-c4ccc(F)cc4)[nH]n3)CC[C@@H]2O)CC1 ZINC000257325064 568722264 /nfs/dbraw/zinc/72/22/64/568722264.db2.gz WRGRIARPZCFPJQ-SFTDATJTSA-N 0 3 429.496 1.345 40 0 IDABHN Cc1cc(N2CC[C@](O)(CN(C)C(=O)c3cccc(OCCN4CCCC4)c3)C2)ncn1 ZINC000257327220 568723102 /nfs/dbraw/zinc/72/31/02/568723102.db2.gz XANNAZRRSSBSNN-DEOSSOPVSA-N 0 3 439.560 1.973 40 0 IDABHN CC(C)n1cc(CN2CC[C@@]3(CCn4c3nn(Cc3cccs3)c(=O)c4=O)C2)cn1 ZINC000306124585 568763203 /nfs/dbraw/zinc/76/32/03/568763203.db2.gz BTXURTWJGHZYFM-OAQYLSRUSA-N 0 3 426.546 1.840 40 0 IDABHN Cc1nc(Cn2nc3n(c(=O)c2=O)CC[C@]32CCN(Cc3ccc(F)cc3)C2)cs1 ZINC000306135417 568768884 /nfs/dbraw/zinc/76/88/84/568768884.db2.gz OQCKTFLHNDCUJC-NRFANRHFSA-N 0 3 427.505 1.905 40 0 IDABHN Cc1nc(Cn2nc3n(c(=O)c2=O)C[C@@]2(CCN(Cc4ccc(F)cc4)C2)C3)cs1 ZINC000306136890 568769664 /nfs/dbraw/zinc/76/96/64/568769664.db2.gz QFZHLESEMFBMBG-NRFANRHFSA-N 0 3 427.505 1.806 40 0 IDABHN COc1cccc(CN2CC[C@]3(CCn4c3nn(Cc3csc(C)n3)c(=O)c4=O)C2)c1 ZINC000306139970 568771465 /nfs/dbraw/zinc/77/14/65/568771465.db2.gz UFOJKALTRPKMQF-QFIPXVFZSA-N 0 3 439.541 1.774 40 0 IDABHN Cc1ccc(Cn2nc3n(c(=O)c2=O)C[C@@H]2CN(Cc4ccc5c(c4)OCO5)C[C@@H]32)cc1 ZINC000306141159 568771945 /nfs/dbraw/zinc/77/19/45/568771945.db2.gz VMTFRXJMPOIACG-RBUKOAKNSA-N 0 3 432.480 1.720 40 0 IDABHN Cc1ccc(S(=O)(=O)NC[C@@H]2CCc3ncc(C(=O)NCCN4CCCC4)n32)cc1 ZINC000306144236 568773728 /nfs/dbraw/zinc/77/37/28/568773728.db2.gz ZAGDRHMMHOKWQM-KRWDZBQOSA-N 0 3 431.562 1.483 40 0 IDABHN CCN(CC)CCCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(OC)ccc1OC ZINC000575420774 568862984 /nfs/dbraw/zinc/86/29/84/568862984.db2.gz DYHZCFFQAOOYRC-INIZCTEOSA-N 0 3 448.607 1.614 40 0 IDABHN CCOc1ccc(OCC)c(S(=O)(=O)N2CCN(c3cc(N(C)C)cnn3)CC2)c1 ZINC000224314841 568917730 /nfs/dbraw/zinc/91/77/30/568917730.db2.gz YLISXBOKWUZOCL-UHFFFAOYSA-N 0 3 435.550 1.851 40 0 IDABHN O=C(c1cnccn1)N1CCC(N2C(=O)NC3(CCN(Cc4ccccc4)CC3)C2=O)CC1 ZINC000019699445 569230599 /nfs/dbraw/zinc/23/05/99/569230599.db2.gz FCPNQKLQAHRJKH-UHFFFAOYSA-N 0 3 448.527 1.668 40 0 IDABHN COCC(=O)N1CCC[C@@H](N2C(=O)NC3(CCN(CCc4ccccc4)CC3)C2=O)C1 ZINC000019699768 569230720 /nfs/dbraw/zinc/23/07/20/569230720.db2.gz OZZQPWBKDVGJAX-LJQANCHMSA-N 0 3 428.533 1.253 40 0 IDABHN O=C(C[C@@H]1CCN2C[C@@H]1/C=C\COc1ccccc1CNCC2=O)NCCN1CCCC1 ZINC000253402981 569265015 /nfs/dbraw/zinc/26/50/15/569265015.db2.gz PFUPRWZHJGBXIY-RNCACEEWSA-N 0 3 440.588 1.792 40 0 IDABHN COc1ccc(CNC[C@]2(COc3ccc(S(C)(=O)=O)cc3)C[C@@H](O)[C@@H](O)C2)cc1 ZINC000107430514 291324418 /nfs/dbraw/zinc/32/44/18/291324418.db2.gz ZUPKXBNAVYGDAW-ZBYYUNFXSA-N 0 3 435.542 1.769 40 0 biogenic,in-vitro IDABHN COc1ccc(CNC(=O)C[C@@H]2O[C@H](CNCc3cccc(Cl)c3)[C@@H](O)[C@H]2O)cc1 ZINC000008624372 291324433 /nfs/dbraw/zinc/32/44/33/291324433.db2.gz HFXWOCULUXLOSY-YUVXSKOASA-N 0 3 434.920 1.634 40 0 biogenic,in-vitro IDABHN O=C(C[C@@H]1O[C@H](CNCc2ccc(F)cc2)[C@@H](O)[C@H]1O)N1CCN(c2ccccc2)CC1 ZINC000008627143 291327181 /nfs/dbraw/zinc/32/71/81/291327181.db2.gz SNKHCQCDTYUOQS-SGKWCMOWSA-N 0 3 443.519 1.143 40 0 biogenic,in-vitro IDABHN CC(=O)N1CCN([C@H]2[C@@H]3OC[C@@H](O3)[C@@H](NCc3ccc(-c4ccccc4)cc3)[C@@H]2O)CC1 ZINC000020463655 519591103 /nfs/dbraw/zinc/59/11/03/519591103.db2.gz KDJXFGHNVIFVJZ-UUFXTFJOSA-N 0 3 437.540 1.461 40 0 biogenic,in-vitro IDABHN Cc1ccc(N(CC(=O)NCCCN2CCN(C)CC2)S(=O)(=O)c2ccccc2)cc1 ZINC000022829408 524892336 /nfs/dbraw/zinc/89/23/36/524892336.db2.gz QNOXVGFANXWGFK-UHFFFAOYSA-N 0 3 444.601 1.944 40 0 IDABHN CC(C)NC(=O)[C@@H]1CN(C(=O)[C@H](N)Cc2ccccc2)C[C@]12Cc1ccccc1C(=O)N2 ZINC000036719579 556309732 /nfs/dbraw/zinc/30/97/32/556309732.db2.gz CNHVRDWUQCTIEA-BPYKYCOYSA-N 0 3 434.540 1.264 40 0 IDABHN COC[C@H]1CCCN1C(=O)CC[C@H]1CNC(=O)[C@@H]2[C@@H](CCN2Cc2cccs2)N1C ZINC000022923589 556341890 /nfs/dbraw/zinc/34/18/90/556341890.db2.gz MJHUXKVIVQXWKG-DIJFTKHXSA-N 0 3 434.606 1.539 40 0 biogenic,in-vitro IDABHN O=C(COc1ccc(CN2CCCC2)cc1)NC[C@@]1(O)CCCN(c2cnccn2)C1 ZINC000257279729 556714834 /nfs/dbraw/zinc/71/48/34/556714834.db2.gz OHXSOSOBYZGKQR-QHCPKHFHSA-N 0 3 425.533 1.599 40 0 IDABHN COc1cc(CN2CC[C@@](O)(CN3CCN(c4ccccc4)CC3)C2)ccc1OCCO ZINC000257290674 556715936 /nfs/dbraw/zinc/71/59/36/556715936.db2.gz QDWSPZDRRIOMKL-RUZDIDTESA-N 0 3 441.572 1.825 40 0 IDABHN O=C(COc1ccc(CN2C[C@H](O)[C@@H](N3CCC(F)(F)CC3)C2)cc1)N1CCOCC1 ZINC000257306458 556717690 /nfs/dbraw/zinc/71/76/90/556717690.db2.gz SUISHLRTYZUKEU-PMACEKPBSA-N 0 3 439.503 1.200 40 0 IDABHN COCC(=O)N[C@@H]1CN(Cc2ccc(OCCN3CCC(C)CC3)c(OC)c2)C[C@H]1O ZINC000257309840 556718099 /nfs/dbraw/zinc/71/80/99/556718099.db2.gz UCPINWZMDHTJPS-WOJBJXKFSA-N 0 3 435.565 1.114 40 0 IDABHN O=C(CN1CC[C@H](c2cc(=O)n3c(n2)CCCCC3)C1)N1CCN(C2CCCC2)CC1 ZINC000019292032 556731820 /nfs/dbraw/zinc/73/18/20/556731820.db2.gz YAGQAUIBQFIUHU-IBGZPJMESA-N 0 3 427.593 1.846 40 0 IDABHN CCN1CCC[C@@H]1CNC(=O)CN1CC[C@@]2(CCC1=O)NC(=O)c1cc(C)ccc1O2 ZINC000019527231 556785422 /nfs/dbraw/zinc/78/54/22/556785422.db2.gz FLEBKTDYCMBGPX-HXOBKFHXSA-N 0 3 428.533 1.427 40 0 IDABHN COc1ccccc1C[N@@H+]1CCC[C@@H](c2nc3c(c(=O)[n-]2)CN(S(C)(=O)=O)CC3)C1 ZINC000019570354 556810374 /nfs/dbraw/zinc/81/03/74/556810374.db2.gz DFAXTUURYQNJMD-MRXNPFEDSA-N 0 3 432.546 1.476 40 0 IDABHN COc1ccccc1C[N@H+]1CCC[C@@H](c2nc3c(c(=O)[n-]2)CN(S(C)(=O)=O)CC3)C1 ZINC000019570354 556810378 /nfs/dbraw/zinc/81/03/78/556810378.db2.gz DFAXTUURYQNJMD-MRXNPFEDSA-N 0 3 432.546 1.476 40 0 IDABHN CN(C)S(=O)(=O)N1CCc2nc([C@@H]3CCCN(Cc4ccc(F)cc4)C3)[nH]c(=O)c2C1 ZINC000019583783 556821386 /nfs/dbraw/zinc/82/13/86/556821386.db2.gz CLTGJAHVJPCGKI-MRXNPFEDSA-N 0 3 449.552 1.453 40 0 IDABHN CCN(CC)CCN(C(=O)c1snc(C(N)=O)c1N)[C@@H](C)C(=O)NCc1ccccc1 ZINC000006511782 556838207 /nfs/dbraw/zinc/83/82/07/556838207.db2.gz VLNOBGSXNIAZDZ-AWEZNQCLSA-N 0 3 446.577 1.313 40 0 IDABHN CC(C)N1CCC2(CC1)NC(=O)N([C@H]1CCCN(C(=O)c3cc(C4CC4)on3)C1)C2=O ZINC000019699979 556859715 /nfs/dbraw/zinc/85/97/15/556859715.db2.gz UAJWAQTXBKYUQY-INIZCTEOSA-N 0 3 429.521 1.951 40 0 IDABHN CCN1CCN(CCNC(=O)[C@@H]2C[C@H]3CC[C@@H]2C[C@@]32NC(=O)c3ccccc3O2)CC1 ZINC000072339109 556911327 /nfs/dbraw/zinc/91/13/27/556911327.db2.gz PUGIRCRHHJYSCK-RTCJPFEHSA-N 0 3 426.561 1.695 40 0 IDABHN CN(C)S(=O)(=O)N1CCc2nc(C3CC[NH+](Cc4ccsc4)CC3)[n-]c(=O)c2C1 ZINC000072399038 556971467 /nfs/dbraw/zinc/97/14/67/556971467.db2.gz HXDIGGDXRZOKTK-UHFFFAOYSA-N 0 3 437.591 1.376 40 0 IDABHN Cc1ccccc1CS(=O)(=O)N1CCC(C(=O)NCCCN2CCN(C)CC2)CC1 ZINC000020107182 556983251 /nfs/dbraw/zinc/98/32/51/556983251.db2.gz QPIIJHYBIOXQJF-UHFFFAOYSA-N 0 3 436.622 1.291 40 0 IDABHN Cc1ccc(CC(=O)N2CC[C@@]3(C2)CCc2nnc(C(=O)NCCN(C)C)n2CC3)cc1 ZINC000585106784 557041081 /nfs/dbraw/zinc/04/10/81/557041081.db2.gz PDHSUMWHWMGMPX-DEOSSOPVSA-N 0 3 438.576 1.676 40 0 IDABHN Cc1cccc(CS(=O)(=O)N2CCC(C(=O)NCCCN3CCN(C)CC3)CC2)c1 ZINC000216345516 557143703 /nfs/dbraw/zinc/14/37/03/557143703.db2.gz NVSNFYLLPCCNPS-UHFFFAOYSA-N 0 3 436.622 1.291 40 0 IDABHN COCCCNC(=S)N(CCN(C)C)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 ZINC000006198564 557150344 /nfs/dbraw/zinc/15/03/44/557150344.db2.gz JNXOFIKOAVNVDK-UHFFFAOYSA-N 0 3 434.562 1.574 40 0 IDABHN COCCN1CCC2(CC3(CCN(S(=O)(=O)c4ccccc4)CC3)N(C)C2=O)CC1 ZINC000096262349 557189919 /nfs/dbraw/zinc/18/99/19/557189919.db2.gz IUTLGIIUXGGAJH-UHFFFAOYSA-N 0 3 435.590 1.801 40 0 IDABHN COc1ccc(CN2CCC3(CC2)O[C@@H](C(=O)N2CCN(C)CC2)Cn2ccnc23)cc1 ZINC000096263267 557191113 /nfs/dbraw/zinc/19/11/13/557191113.db2.gz UBDJOCNECYRVGS-OAQYLSRUSA-N 0 3 439.560 1.556 40 0 IDABHN CC(=O)N1CCN(C[C@]2(O)CCN(Cc3ccc(OCc4nccn4C)cc3)C2)CC1 ZINC000585269627 557212347 /nfs/dbraw/zinc/21/23/47/557212347.db2.gz DLFPETOTTPCLOA-HSZRJFAPSA-N 0 3 427.549 1.100 40 0 IDABHN CCOC(=O)N1CCC(O)(CN2CCOC[C@](O)(COc3cc(F)cc(F)c3)C2)CC1 ZINC000585283200 557222753 /nfs/dbraw/zinc/22/27/53/557222753.db2.gz QZYPKRZCMHPBDQ-NRFANRHFSA-N 0 3 444.475 1.390 40 0 IDABHN CCOC(=O)N1CCC(O)(CN2CCOC[C@](O)(COc3ccc(F)c(F)c3)C2)CC1 ZINC000585283765 557223044 /nfs/dbraw/zinc/22/30/44/557223044.db2.gz UNXDENWGWFURKI-NRFANRHFSA-N 0 3 444.475 1.390 40 0 IDABHN CC(=O)N1CCC(O)(CN2CCOC[C@@](O)(COc3ccc(F)c(Cl)c3)C2)CC1 ZINC000585284779 557224596 /nfs/dbraw/zinc/22/45/96/557224596.db2.gz ZWSHRSWSAXYFHK-HXUWFJFHSA-N 0 3 430.904 1.295 40 0 IDABHN COc1cc(CNC[C@@]2(O)CCN(C(=O)CCc3ccccc3)C[C@@H]2O)cc(OC)c1 ZINC000585286175 557225123 /nfs/dbraw/zinc/22/51/23/557225123.db2.gz WNYSRGNHBXTXMS-UPVQGACJSA-N 0 3 428.529 1.751 40 0 IDABHN O=S(=O)(c1ccccc1)N1C[C@@H](O)[C@](O)(CNCCOCc2ccccc2Cl)C1 ZINC000585289464 557226597 /nfs/dbraw/zinc/22/65/97/557226597.db2.gz HDHSFBAXYMPUIE-UXHICEINSA-N 0 3 440.949 1.243 40 0 IDABHN COc1ccc(CNCC(=O)N2CCN(C(=O)CNCc3ccc(OC)cc3)CC2)cc1 ZINC000057698651 557258900 /nfs/dbraw/zinc/25/89/00/557258900.db2.gz HPRVWTWXKJFBNN-UHFFFAOYSA-N 0 3 440.544 1.254 40 0 IDABHN CN(C)CC(=O)N[C@@H](Cc1ccccc1)C(=O)N1Cc2ccccc2OC[C@@H]1CN(C)C ZINC000057773636 557265696 /nfs/dbraw/zinc/26/56/96/557265696.db2.gz ACRIGBFMNDEZDD-VXKWHMMOSA-N 0 3 438.572 1.627 40 0 IDABHN O=C(NC[C@]1(O)CCN(c2cnccn2)C1)c1ccc(OCCN2CCCCC2)cc1 ZINC000257206427 568668134 /nfs/dbraw/zinc/66/81/34/568668134.db2.gz BDJPHLJNMLQMPX-HSZRJFAPSA-N 0 3 425.533 1.713 40 0 IDABHN Cc1cc(N2CC[C@@](O)(CNC(=O)c3ccc(OCCN4CCCC4)cc3)C2)ncn1 ZINC000257237302 568682415 /nfs/dbraw/zinc/68/24/15/568682415.db2.gz HFXASFPCXAIITJ-HSZRJFAPSA-N 0 3 425.533 1.631 40 0 IDABHN CC(=O)N1CCN([C@@H]2CC[C@@H](N(C)C(=O)c3cc(-c4ccc(F)cc4)[nH]n3)[C@H]2O)CC1 ZINC000257261303 568693770 /nfs/dbraw/zinc/69/37/70/568693770.db2.gz LGQCLVRVDGKYCA-NJDAHSKKSA-N 0 3 429.496 1.344 40 0 IDABHN Cc1cc(N2CC[C@](O)(CNC(=O)COc3ccc(CN4CCCC4)cc3)C2)ncn1 ZINC000257272451 568698918 /nfs/dbraw/zinc/69/89/18/568698918.db2.gz NCLSWEKHFJKCTN-QHCPKHFHSA-N 0 3 425.533 1.517 40 0 IDABHN Cn1c(CCC(=O)N2CC[C@H](O)[C@@H](N3CCN(C)CC3)CC2)nc2cc(Cl)ccc21 ZINC000257319344 568719736 /nfs/dbraw/zinc/71/97/36/568719736.db2.gz VRYWIQGBVIKXJW-PMACEKPBSA-N 0 3 433.984 1.759 40 0 IDABHN CNc1cc(N2CCC[C@](O)(CNC(=O)c3cccc(OCCN(C)C)c3)C2)ncn1 ZINC000257340819 568728847 /nfs/dbraw/zinc/72/88/47/568728847.db2.gz ZHQCNJRNYXXDPS-QFIPXVFZSA-N 0 3 428.537 1.220 40 0 IDABHN CS(=O)(=O)N1CCC[C@@H](c2nc(C(=O)NCCN3CCCCC3)c3ccccn32)C1 ZINC000306128831 568765420 /nfs/dbraw/zinc/76/54/20/568765420.db2.gz HLYINBUMIKPYOF-QGZVFWFLSA-N 0 3 433.578 1.689 40 0 IDABHN Cc1ccc(Cn2nc3n(c(=O)c2=O)C[C@H]2CN(Cc4ccc5c(c4)OCO5)C[C@H]32)cc1 ZINC000306141157 568771886 /nfs/dbraw/zinc/77/18/86/568771886.db2.gz VMTFRXJMPOIACG-MOPGFXCFSA-N 0 3 432.480 1.720 40 0 IDABHN CCN(CC)CCCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(C)ccc1OC ZINC000575420624 568863473 /nfs/dbraw/zinc/86/34/73/568863473.db2.gz DLBAXATXFCPLJY-QGZVFWFLSA-N 0 3 432.608 1.913 40 0 IDABHN CCN(CC)CCCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(OC)cc1OC ZINC000575426428 568865516 /nfs/dbraw/zinc/86/55/16/568865516.db2.gz SVKWYALZQVDVTC-INIZCTEOSA-N 0 3 448.607 1.614 40 0 IDABHN CCN(CC)CC(=O)N1CCO[C@H](c2nc(N(C)C)ncc2-c2ccc(C(N)=O)cc2)C1 ZINC000019692635 569228023 /nfs/dbraw/zinc/22/80/23/569228023.db2.gz RAXLMMGTRBGTGZ-IBGZPJMESA-N 0 3 440.548 1.550 40 0 IDABHN COCCC(=O)N1CCC(N2C(=O)NC3(CCN(CCc4ccccc4)CC3)C2=O)CC1 ZINC000019699322 569230354 /nfs/dbraw/zinc/23/03/54/569230354.db2.gz XTMRCWAUSUGFRV-UHFFFAOYSA-N 0 3 442.560 1.643 40 0 IDABHN O=C(c1cnccn1)N1CCC[C@@H](N2C(=O)NC3(CCN(Cc4ccccc4)CC3)C2=O)C1 ZINC000019699551 569230638 /nfs/dbraw/zinc/23/06/38/569230638.db2.gz WBBSXGXCRFJRMQ-LJQANCHMSA-N 0 3 448.527 1.668 40 0 IDABHN COCC(=O)N1CCC[C@H](N2C(=O)NC3(CCN(CCc4ccccc4)CC3)C2=O)C1 ZINC000019699769 569230769 /nfs/dbraw/zinc/23/07/69/569230769.db2.gz OZZQPWBKDVGJAX-IBGZPJMESA-N 0 3 428.533 1.253 40 0 IDABHN CNCc1cc(N(C)C)nc([C@H]2CCCN2S(=O)(=O)c2ccc3c(c2)OCCO3)n1 ZINC000019760891 569237746 /nfs/dbraw/zinc/23/77/46/569237746.db2.gz VOONSQJWURXJJS-MRXNPFEDSA-N 0 3 433.534 1.559 40 0 IDABHN CNCc1cc(N(C)C)nc([C@H]2CCCN2S(=O)(=O)c2ccc3c(c2)CC(=O)N3C)n1 ZINC000019760899 569237774 /nfs/dbraw/zinc/23/77/74/569237774.db2.gz TUBSZBHNNHAWPH-GOSISDBHSA-N 0 3 444.561 1.307 40 0 IDABHN COCCNC(=O)[C@H]1CN2CC[C@@H]1C[C@@H]2Cn1cc(CN(C)Cc2ccccc2)nn1 ZINC000008297667 291323288 /nfs/dbraw/zinc/32/32/88/291323288.db2.gz LMEHBIVBZPVUFM-FCEUIQTBSA-N 0 3 426.565 1.383 40 0 biogenic,in-vitro IDABHN C[C@@H](C(=O)NCCN1CCCCCC1)N(c1ccc2c(c1)OCCO2)S(C)(=O)=O ZINC000408704881 556110865 /nfs/dbraw/zinc/11/08/65/556110865.db2.gz VBQYROPGFAYKBK-INIZCTEOSA-N 0 3 425.551 1.605 40 0 IDABHN COC[C@H]1CCCN1C(=O)CC[C@H]1CNC(=O)[C@@H]2[C@@H](CCN2Cc2ccc(O)cc2)N1C ZINC000022923605 556341934 /nfs/dbraw/zinc/34/19/34/556341934.db2.gz RDMOORNNVQKDOS-KPYOPSEVSA-N 0 3 444.576 1.183 40 0 biogenic,in-vitro IDABHN CN(C)CCNC(=O)C1CCN(S(=O)(=O)Cc2cccc(Br)c2)CC1 ZINC000030873094 556514109 /nfs/dbraw/zinc/51/41/09/556514109.db2.gz GKOOSNAZJHGQQZ-UHFFFAOYSA-N 0 3 432.384 1.669 40 0 IDABHN COC(=O)c1cccc(CN2C[C@@H]3C[C@@H](O)CN3C3(CN(C4Cc5ccccc5C4)C3)C2)c1 ZINC000514289482 556623524 /nfs/dbraw/zinc/62/35/24/556623524.db2.gz MCNIPAARHMAPAD-LOSJGSFVSA-N 0 3 447.579 1.946 40 0 biogenic,in-vitro IDABHN COCCOc1cc(CN[C@@H]2C[C@@H](O)CN(C(=O)OC(C)(C)C)C[C@H]2O)ccc1OC ZINC000257328588 556705501 /nfs/dbraw/zinc/70/55/01/556705501.db2.gz XGIFJCAJXVWKRI-KZNAEPCWSA-N 0 3 440.537 1.541 40 0 IDABHN Cn1ccnc1COc1ccc(CN[C@@H]2C[C@@H](O)CN(C(=O)OC(C)(C)C)C[C@H]2O)cc1 ZINC000257331855 556705887 /nfs/dbraw/zinc/70/58/87/556705887.db2.gz XUOLMKFPACCSMM-MISYRCLQSA-N 0 3 446.548 1.820 40 0 IDABHN Cc1ccc(C2(CN3CCC(NC(=O)CN(C)[C@H]4CCS(=O)(=O)C4)CC3)CC2)cc1 ZINC000019208365 556708156 /nfs/dbraw/zinc/70/81/56/556708156.db2.gz OCMPCEKGROOHFY-NRFANRHFSA-N 0 3 433.618 1.726 40 0 IDABHN COCCOc1cc(C[N@@H+]2CCc3nc(N4CCOCC4)[n-]c(=O)c3CC2)ccc1OC ZINC000019593627 556829708 /nfs/dbraw/zinc/82/97/08/556829708.db2.gz SKQGHWRBDPYPTI-UHFFFAOYSA-N 0 3 444.532 1.653 40 0 IDABHN COCCOc1cc(C[N@H+]2CCc3nc(N4CCOCC4)[n-]c(=O)c3CC2)ccc1OC ZINC000019593627 556829712 /nfs/dbraw/zinc/82/97/12/556829712.db2.gz SKQGHWRBDPYPTI-UHFFFAOYSA-N 0 3 444.532 1.653 40 0 IDABHN Cc1ccc2[nH]c(=O)c(CN(CCN(C)C)C(=S)NCCCN3CCOCC3)cc2c1 ZINC000006408147 556834534 /nfs/dbraw/zinc/83/45/34/556834534.db2.gz KPCTZBBQYNNDFV-UHFFFAOYSA-N 0 3 445.633 1.797 40 0 IDABHN CNc1nc(C2CCN(C)CC2)nc2c1CN(C(=O)CCN1C(=O)CCCC1=O)CC2 ZINC000019711411 556876008 /nfs/dbraw/zinc/87/60/08/556876008.db2.gz JTOYZDGRXOWKJT-UHFFFAOYSA-N 0 3 428.537 1.141 40 0 IDABHN O=C(CN1CCCCCC1)N1CCO[C@H](c2cc(C(=O)NCCO)c3ccccc3n2)C1 ZINC000019759426 556903166 /nfs/dbraw/zinc/90/31/66/556903166.db2.gz UZIWGGCWBCZZGD-QFIPXVFZSA-N 0 3 440.544 1.733 40 0 IDABHN CCOC(=O)[C@@H]1CN(C(=O)[C@@H](N)Cc2ccccc2)C[C@]12COc1ccccc1C(=O)N2 ZINC000072334305 556906982 /nfs/dbraw/zinc/90/69/82/556906982.db2.gz YCCCPRQREJUUFK-JXQFQVJHSA-N 0 3 437.496 1.139 40 0 IDABHN O=C(NC1CS(=O)(=O)C1)[C@@H]1CN(Cc2ccc(-n3ccnc3)cc2)CC12CCOCC2 ZINC000585101876 557035162 /nfs/dbraw/zinc/03/51/62/557035162.db2.gz HUJGXYLLTNFHCJ-FQEVSTJZSA-N 0 3 444.557 1.014 40 0 IDABHN Cc1noc(C)c1C(=O)N1CC[C@]2(C1)CCc1nnc(C(=O)NCCN(C)C)n1CC2 ZINC000585106774 557041164 /nfs/dbraw/zinc/04/11/64/557041164.db2.gz DWDPWXVSFHHZOW-OAQYLSRUSA-N 0 3 429.525 1.043 40 0 IDABHN Cc1noc(C)c1C(=O)N1CCO[C@@]2(C1)C(=O)N(CCN(C)C)C[C@@H]2c1ccccc1 ZINC000585106999 557041373 /nfs/dbraw/zinc/04/13/73/557041373.db2.gz NONIVOJFEUNZHJ-AUSIDOKSSA-N 0 3 426.517 1.690 40 0 IDABHN CN(C)CCN(Cc1cc2cc3c(cc2[nH]c1=O)OCCO3)C(=S)NC[C@@H]1CCCO1 ZINC000006198567 557150365 /nfs/dbraw/zinc/15/03/65/557150365.db2.gz HMKGVTVTQIDOGH-KRWDZBQOSA-N 0 3 446.573 1.716 40 0 IDABHN Cn1cnc2c1[C@H](C(=O)N1CCN(c3ccncc3)CC1)N(C(=O)c1ccccc1)CC2 ZINC000096147202 557177002 /nfs/dbraw/zinc/17/70/02/557177002.db2.gz XVAVQCYVGGSEQN-JOCHJYFZSA-N 0 3 430.512 1.904 40 0 IDABHN COC(=O)c1cc(C(=O)OC)cc(-c2ccc(CNCCSc3nnnn3C)o2)c1 ZINC000022108522 557177889 /nfs/dbraw/zinc/17/78/89/557177889.db2.gz XZFWLXHWUAKRIT-UHFFFAOYSA-N 0 3 431.474 1.925 40 0 IDABHN CC(=O)N[C@@H]1CO[C@@H]2CCCN(Cc3ccc(OCCOCCO)cc3)[C@@H]2C[C@@]1(C)O ZINC000585270425 557214294 /nfs/dbraw/zinc/21/42/94/557214294.db2.gz WEVNUEXFEKUAEZ-SSGKUCQKSA-N 0 3 436.549 1.083 40 0 IDABHN CN(Cc1ccc(OCCN2CCOCC2)cc1)C[C@]1(O)CCCN(c2cnccn2)C1 ZINC000585273005 557215458 /nfs/dbraw/zinc/21/54/58/557215458.db2.gz OIWLLQWVHPRUMR-XMMPIXPASA-N 0 3 441.576 1.651 40 0 IDABHN O[C@]1(CNCc2ccc(OCCN3CCOCC3)cc2)CCCN(c2cnccn2)C1 ZINC000585274267 557218435 /nfs/dbraw/zinc/21/84/35/557218435.db2.gz UUCHNKVOSYTTAO-QHCPKHFHSA-N 0 3 427.549 1.309 40 0 IDABHN O=S(=O)(c1ccccc1)N1CC[C@H](O)[C@@](O)(CNCc2ccc(C(F)(F)F)cc2)C1 ZINC000585283060 557222440 /nfs/dbraw/zinc/22/24/40/557222440.db2.gz BGJRNYQIWPPBDL-RBUKOAKNSA-N 0 3 444.475 1.982 40 0 IDABHN CCOC(=O)N1CCC(O)(CN2CCOC[C@@](O)(COc3ccc(F)c(C)c3)C2)CC1 ZINC000585283503 557222774 /nfs/dbraw/zinc/22/27/74/557222774.db2.gz RCPJDHHXVDSLTD-JOCHJYFZSA-N 0 3 440.512 1.560 40 0 IDABHN CCOC(=O)N1CCC(O)(CN2CCOC[C@](O)(COc3ccc(F)cc3)C2)CC1 ZINC000585286807 557225644 /nfs/dbraw/zinc/22/56/44/557225644.db2.gz IYPBWKDACXJCLQ-NRFANRHFSA-N 0 3 426.485 1.251 40 0 IDABHN CCOC(=O)[C@@H]1C(=O)N=C(N2CCN(C(=O)OCC)CC2)N[C@@H]1c1cccc(Cl)c1 ZINC000013640113 557384905 /nfs/dbraw/zinc/38/49/05/557384905.db2.gz TWBGQHGVDRMKGX-JKSUJKDBSA-N 0 3 436.896 1.820 40 0 IDABHN CC(C)NC(=O)[C@@H]1CN(C(=O)[C@H](N)Cc2ccccc2)C[C@@]12Cc1ccccc1C(=O)N2 ZINC000019449802 557499327 /nfs/dbraw/zinc/49/93/27/557499327.db2.gz CNHVRDWUQCTIEA-BKSPAHHJSA-N 0 3 434.540 1.264 40 0 IDABHN COc1ccc(OC[C@@H](O)CN(C)Cc2ccc(OCC(=O)N3CCOCC3)cc2)cc1 ZINC000585269982 568616794 /nfs/dbraw/zinc/61/67/94/568616794.db2.gz SHCPLMIBXINTHT-FQEVSTJZSA-N 0 3 444.528 1.805 40 0 IDABHN CC(=O)N1CCN(C[C@]2(O)CCN(Cc3ccc(OCCn4cccn4)cc3)C2)CC1 ZINC000585271307 568617914 /nfs/dbraw/zinc/61/79/14/568617914.db2.gz WAVKTEDGLGPJSH-HSZRJFAPSA-N 0 3 427.549 1.063 40 0 IDABHN CN1CCC(Cc2cccc(F)c2)(C(=O)NC[C@@]2(O)CCN(c3cnccn3)C2)CC1 ZINC000257220618 568674725 /nfs/dbraw/zinc/67/47/25/568674725.db2.gz DLMJTDXAQBWWMP-QHCPKHFHSA-N 0 3 427.524 1.628 40 0 IDABHN Cn1ccnc1C(=O)NC[C@@]1(c2ccccc2)CC[C@H](O)[C@@H](N2CCN(C)CC2)CC1 ZINC000257228685 568678364 /nfs/dbraw/zinc/67/83/64/568678364.db2.gz FUVRWMWFAONQJE-HFMPRLQTSA-N 0 3 425.577 1.639 40 0 IDABHN Cc1cc(N2CC[C@@](O)(CN(C)C(=O)COc3ccc(CN4CCCC4)cc3)C2)ncn1 ZINC000257232638 568680210 /nfs/dbraw/zinc/68/02/10/568680210.db2.gz GLUCRWCQIGSBIK-XMMPIXPASA-N 0 3 439.560 1.859 40 0 IDABHN CN(C)CCOc1ccc(C(=O)N2CC[C@H](O)[C@@H](n3cnc4c3ncnc4N)CC2)cc1 ZINC000257243535 568685549 /nfs/dbraw/zinc/68/55/49/568685549.db2.gz IHKXWCZKKONZHW-ROUUACIJSA-N 0 3 439.520 1.187 40 0 IDABHN Nc1ncnc2c1ncn2[C@H]1CCN(C(=O)c2ccc(CN3CCCC3)cc2)CC[C@@H]1O ZINC000257275671 568700405 /nfs/dbraw/zinc/70/04/05/568700405.db2.gz NQJWOPIEHOUKOY-OALUTQOASA-N 0 3 435.532 1.843 40 0 IDABHN Cc1cc(N2CC[C@@](O)(CN(C)C(=O)c3cccc(OCCN4CCCC4)c3)C2)ncn1 ZINC000257327221 568723082 /nfs/dbraw/zinc/72/30/82/568723082.db2.gz XANNAZRRSSBSNN-XMMPIXPASA-N 0 3 439.560 1.973 40 0 IDABHN Cc1nc(Cn2nc3n(c(=O)c2=O)CC[C@@]32CCN(Cc3scnc3C)C2)cs1 ZINC000306124881 568763428 /nfs/dbraw/zinc/76/34/28/568763428.db2.gz CBGPOTYAAVWICK-LJQANCHMSA-N 0 3 430.559 1.531 40 0 IDABHN CN1CCN(CCCNC(=O)c2nc([C@@H]3CCCN3c3ncccn3)n3ccccc23)CC1 ZINC000306132355 568767221 /nfs/dbraw/zinc/76/72/21/568767221.db2.gz LGGPJGFULBFMJQ-FQEVSTJZSA-N 0 3 448.575 1.833 40 0 IDABHN O=c1c(=O)n(Cc2ccccc2)nc2n1C[C@@]1(CCN(Cc3ccc4c(c3)OCO4)C1)C2 ZINC000306134761 568768775 /nfs/dbraw/zinc/76/87/75/568768775.db2.gz NXMNXYRPECRVSB-DEOSSOPVSA-N 0 3 432.480 1.630 40 0 IDABHN O=c1c(=O)n(Cc2ccccc2)nc2n1C[C@]1(CCN(Cc3ccc4c(c3)OCO4)C1)C2 ZINC000306134762 568768798 /nfs/dbraw/zinc/76/87/98/568768798.db2.gz NXMNXYRPECRVSB-XMMPIXPASA-N 0 3 432.480 1.630 40 0 IDABHN COc1ccc(Cn2nc3n(c(=O)c2=O)C[C@@]2(CCN(Cc4cccc(C)n4)C2)C3)cc1 ZINC000306137376 568769979 /nfs/dbraw/zinc/76/99/79/568769979.db2.gz QURZZZHFIGVFFL-DEOSSOPVSA-N 0 3 433.512 1.614 40 0 IDABHN CCN(CC)CCCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(C)ccc1OC ZINC000575420621 568863485 /nfs/dbraw/zinc/86/34/85/568863485.db2.gz DLBAXATXFCPLJY-KRWDZBQOSA-N 0 3 432.608 1.913 40 0 IDABHN CC(C)NC(=O)[C@@H]1CN(C(=O)[C@@H](N)Cc2ccccc2)C[C@]12Cc1ccccc1C(=O)N2 ZINC000247968962 569206709 /nfs/dbraw/zinc/20/67/09/569206709.db2.gz CNHVRDWUQCTIEA-STWLZBDKSA-N 0 3 434.540 1.264 40 0 IDABHN CN(C)CC(=O)N1CCC(N2C(=O)NC3(CCN(Cc4ccccc4)CC3)C2=O)CC1 ZINC000019699464 569230540 /nfs/dbraw/zinc/23/05/40/569230540.db2.gz GWIQFSVVNRKXQL-UHFFFAOYSA-N 0 3 427.549 1.126 40 0 IDABHN CC(C)N1CCC2(CC1)NC(=O)N(C1CCN(S(=O)(=O)c3ccccc3)CC1)C2=O ZINC000019699525 569230609 /nfs/dbraw/zinc/23/06/09/569230609.db2.gz SQBUKTDBSHUBDX-UHFFFAOYSA-N 0 3 434.562 1.635 40 0 IDABHN CCN1CCC2(CC1)NC(=O)N([C@@H]1CCCN(C(=O)c3ccc4c(c3)OCCO4)C1)C2=O ZINC000019699898 569230851 /nfs/dbraw/zinc/23/08/51/569230851.db2.gz WYWZXUOPENQTBY-QGZVFWFLSA-N 0 3 442.516 1.469 40 0 IDABHN O=C(CN1CCCCCC1)N1CCO[C@H](c2c3cccnc3sc2C(=O)NCCO)C1 ZINC000019702957 569232467 /nfs/dbraw/zinc/23/24/67/569232467.db2.gz ZZFCLPCMMDOOBI-KRWDZBQOSA-N 0 3 446.573 1.794 40 0 IDABHN COCCNC(=O)C[C@@H]1C[C@H]2O[C@H](CNCc3ccccc3C(F)(F)F)[C@@H](O)[C@H]2O1 ZINC000225515189 291323294 /nfs/dbraw/zinc/32/32/94/291323294.db2.gz ILPWROZSELRZSX-ZLJHSHKTSA-N 0 3 432.439 1.234 40 0 biogenic,in-vitro IDABHN Cc1ccc(Cl)cc1N(CCCC(=O)NCCCN1CCN(C)CC1)S(C)(=O)=O ZINC000022829899 524728822 /nfs/dbraw/zinc/72/88/22/524728822.db2.gz BBBNTBWVXZRRSK-UHFFFAOYSA-N 0 3 445.029 1.948 40 0 IDABHN CCCCOCCOCCOCCN(CCO)CCOCCOCCOCCCC ZINC000005420245 556052327 /nfs/dbraw/zinc/05/23/27/556052327.db2.gz GGCYMASZAGGKBY-UHFFFAOYSA-N 0 3 437.618 1.981 40 0 IDABHN CCOC(=O)[C@@H]1C(=O)N=C(N2CCN(c3ccccn3)CC2)N[C@H]1c1ccc(OC)cc1 ZINC000010385675 556333930 /nfs/dbraw/zinc/33/39/30/556333930.db2.gz RHYJTRBEXXBVFB-PMACEKPBSA-N 0 3 437.500 1.619 40 0 IDABHN COc1ccc(CN[C@H]2C[C@H]3C(=O)NC[C@@H](CCC(=O)NCc4ccccc4)N3C2)cc1 ZINC000022936803 556450196 /nfs/dbraw/zinc/45/01/96/556450196.db2.gz DEFWQFKEHNVWQS-XJUOHMSHSA-N 0 3 436.556 1.823 40 0 biogenic,in-vitro IDABHN CN(C)CCNC(=O)c1ccc(CN2CCN(S(=O)(=O)c3ccccc3)CC2)cc1 ZINC000013674180 556553667 /nfs/dbraw/zinc/55/36/67/556553667.db2.gz YIMCAIYBJGXCOU-UHFFFAOYSA-N 0 3 430.574 1.485 40 0 IDABHN CN(C)CCNC(=O)C1CCN(S(=O)(=O)Cc2ccc(Br)cc2)CC1 ZINC000044842627 556668649 /nfs/dbraw/zinc/66/86/49/556668649.db2.gz HRPAVPNXBHIZCG-UHFFFAOYSA-N 0 3 432.384 1.669 40 0 IDABHN CN(Cc1ccc(OCCCN2CCCC2=O)cc1)C[C@]1(O)CCN(c2ncccn2)C1 ZINC000257324127 556704874 /nfs/dbraw/zinc/70/48/74/556704874.db2.gz WNHBNSRHCOIDGW-XMMPIXPASA-N 0 3 439.560 1.941 40 0 IDABHN COc1cc(CN2CCC[C@H]3OC[C@@H](NC(C)=O)[C@](C)(O)C[C@H]32)ccc1OCCN(C)C ZINC000257227102 556708622 /nfs/dbraw/zinc/70/86/22/556708622.db2.gz FNQMZSSHBFVZLW-FAYOUJPWSA-N 0 3 449.592 1.645 40 0 IDABHN Cc1ccc2c(c1)N[C@]1(CCC(=O)N([C@H](C)C(=O)NCCN3CCCC3)CC1)NC2=O ZINC000019219582 556714111 /nfs/dbraw/zinc/71/41/11/556714111.db2.gz AIUODJDXHFRTNV-UZUQRXQVSA-N 0 3 427.549 1.460 40 0 IDABHN CNc1cc(N2CCC[C@](O)(CNCc3ccc(OCCOCCO)cc3)C2)ncn1 ZINC000257274640 556714200 /nfs/dbraw/zinc/71/42/00/556714200.db2.gz NLYJSXFVRLVTFZ-QFIPXVFZSA-N 0 3 431.537 1.027 40 0 IDABHN CC(=O)NC1CCN(C[C@@]2(O)CCN(Cc3ccc(OCc4nccn4C)cc3)C2)CC1 ZINC000257307919 556718127 /nfs/dbraw/zinc/71/81/27/556718127.db2.gz TUSQTYZGLAWCAY-DEOSSOPVSA-N 0 3 441.576 1.536 40 0 IDABHN COc1ccc(C[N@@H+]2CCC[C@H](c3nc4c(c(=O)[n-]3)CN(S(C)(=O)=O)CC4)C2)cc1 ZINC000019555216 556798326 /nfs/dbraw/zinc/79/83/26/556798326.db2.gz ROFOTPLDXVRYBM-INIZCTEOSA-N 0 3 432.546 1.476 40 0 IDABHN COc1ccc(C[N@H+]2CCC[C@H](c3nc4c(c(=O)[n-]3)CN(S(C)(=O)=O)CC4)C2)cc1 ZINC000019555216 556798330 /nfs/dbraw/zinc/79/83/30/556798330.db2.gz ROFOTPLDXVRYBM-INIZCTEOSA-N 0 3 432.546 1.476 40 0 IDABHN CC(C)C(=O)N1CCC2(CC1)NC(=O)N(C1CCN(C(=O)[C@H](C)N3CCCC3)CC1)C2=O ZINC000019699379 556858469 /nfs/dbraw/zinc/85/84/69/556858469.db2.gz GCQMXYNIMBGZJO-KRWDZBQOSA-N 0 3 447.580 1.031 40 0 IDABHN CC(C)N1CCC2(CC1)NC(=O)N([C@@H]1CCCN(C(=O)c3cc(C4CC4)on3)C1)C2=O ZINC000019699978 556859606 /nfs/dbraw/zinc/85/96/06/556859606.db2.gz UAJWAQTXBKYUQY-MRXNPFEDSA-N 0 3 429.521 1.951 40 0 IDABHN CN(C)S(=O)(=O)N1CCc2nc(C3CC[NH+](Cc4cccs4)CC3)[n-]c(=O)c2C1 ZINC000072399036 556971290 /nfs/dbraw/zinc/97/12/90/556971290.db2.gz KMFQDLLAGLQNHL-UHFFFAOYSA-N 0 3 437.591 1.376 40 0 IDABHN Cc1ccc(CN2CCC[C@]3(C(=O)N4CCOCC4)CN(c4ncccn4)C[C@@H]3C2)o1 ZINC000096056167 557167511 /nfs/dbraw/zinc/16/75/11/557167511.db2.gz YLHKRVZGHATVEE-CVDCTZTESA-N 0 3 425.533 1.955 40 0 IDABHN COc1cc(CNCCN2CCOCC2)ccc1OCc1nnnn1-c1ccc(C)cc1 ZINC000022108270 557177452 /nfs/dbraw/zinc/17/74/52/557177452.db2.gz MZKSJGIAWYESRG-UHFFFAOYSA-N 0 3 438.532 1.980 40 0 IDABHN COc1ccc(CN2CCC3(CC2)O[C@H](C(=O)N2CCN(C)CC2)Cn2ccnc23)cc1 ZINC000096263266 557191094 /nfs/dbraw/zinc/19/10/94/557191094.db2.gz UBDJOCNECYRVGS-NRFANRHFSA-N 0 3 439.560 1.556 40 0 IDABHN O[C@H]1CN(Cc2ccc(OCCN3CCOCC3)cc2)C[C@@H]1N1CCC(F)(F)CC1 ZINC000585273152 557215534 /nfs/dbraw/zinc/21/55/34/557215534.db2.gz PNRYJLLKEGVYHG-SFTDATJTSA-N 0 3 425.520 1.674 40 0 IDABHN O=C1CO[C@H]2CN(CC3(O)CCN(c4ccc(F)cc4)CC3)C[C@@H]2N1C1CCOCC1 ZINC000585282961 557222070 /nfs/dbraw/zinc/22/20/70/557222070.db2.gz KNXNYMUKOAYIIA-SFTDATJTSA-N 0 3 433.524 1.248 40 0 IDABHN COCC(=O)N1CCN(CC2(O)CCCCC2)C[C@](O)(COc2cc(F)cc(F)c2)C1 ZINC000585285011 557224431 /nfs/dbraw/zinc/22/44/31/557224431.db2.gz BKUAYCSGVFLLOG-JOCHJYFZSA-N 0 3 442.503 1.561 40 0 IDABHN CCOC(=O)N1CCC(O)(CN2CCOC[C@@](O)(COc3ccc(F)cc3)C2)CC1 ZINC000585286812 557225555 /nfs/dbraw/zinc/22/55/55/557225555.db2.gz IYPBWKDACXJCLQ-OAQYLSRUSA-N 0 3 426.485 1.251 40 0 IDABHN COc1cc(CNC[C@]2(O)CN(C(=O)c3ccccc3)CC[C@H]2O)cc(OC)c1OC ZINC000585288964 557226259 /nfs/dbraw/zinc/22/62/59/557226259.db2.gz BNPYIGPGNNCFTB-OFNKIYASSA-N 0 3 430.501 1.440 40 0 IDABHN O=S(=O)(c1ccccc1)N1C[C@@H](O)[C@](O)(CNC2(c3ccccc3)CCOCC2)C1 ZINC000585291187 557228751 /nfs/dbraw/zinc/22/87/51/557228751.db2.gz LJVDFPCBFCAPHM-IRLDBZIGSA-N 0 3 432.542 1.078 40 0 IDABHN CN(C)CC(=O)N[C@H](Cc1ccccc1)C(=O)N1Cc2ccccc2OC[C@@H]1CN(C)C ZINC000057773628 557265445 /nfs/dbraw/zinc/26/54/45/557265445.db2.gz ACRIGBFMNDEZDD-FCHUYYIVSA-N 0 3 438.572 1.627 40 0 IDABHN Cc1ccc(Cl)cc1N([C@@H](C)C(=O)NCCCN1CCN(C)CC1)S(C)(=O)=O ZINC000022829889 557271082 /nfs/dbraw/zinc/27/10/82/557271082.db2.gz LUHFSLGBDLVPPT-INIZCTEOSA-N 0 3 431.002 1.557 40 0 IDABHN Cc1cc(C)n(CCOc2ccc(CN3CC[C@@](O)(CN4CCN(C)CC4)C3)cc2)n1 ZINC000585271353 568618112 /nfs/dbraw/zinc/61/81/12/568618112.db2.gz WVPMLTWIHMUXQR-XMMPIXPASA-N 0 3 427.593 1.763 40 0 IDABHN COCC(=O)N1CCN(CC2(O)CCCCC2)C[C@@](O)(COc2cccc(F)c2F)C1 ZINC000585287640 568619046 /nfs/dbraw/zinc/61/90/46/568619046.db2.gz PUEBEROWOVICPC-QFIPXVFZSA-N 0 3 442.503 1.561 40 0 IDABHN Cc1nn(Cc2ccccc2)c(C)c1NC(=O)CN1CC[C@](O)(CN2CCN(C)CC2)C1 ZINC000257204118 568667048 /nfs/dbraw/zinc/66/70/48/568667048.db2.gz ATCTXEOXVKGTIP-DEOSSOPVSA-N 0 3 440.592 1.171 40 0 IDABHN O=C(CN1CC[C@](O)(CN2CCC(F)(F)CC2)C1)Nc1ccccc1N1CCOCC1 ZINC000257220524 568674691 /nfs/dbraw/zinc/67/46/91/568674691.db2.gz DLCUXXYOXRFXOW-NRFANRHFSA-N 0 3 438.519 1.630 40 0 IDABHN CN(C)CCOc1cccc(C(=O)N2CC[C@@](C)(O)[C@H](n3cnc4c3ncnc4N)C2)c1 ZINC000257222771 568675399 /nfs/dbraw/zinc/67/53/99/568675399.db2.gz DUQMUPRPPCHUAM-VGOFRKELSA-N 0 3 439.520 1.187 40 0 IDABHN O=C(c1ccc(OCCN2CCCC2)cc1)N1CC[C@H](O)[C@@H](n2ccc(=O)[nH]c2=O)CC1 ZINC000257233720 568681141 /nfs/dbraw/zinc/68/11/41/568681141.db2.gz GQKYVTMFDPHDSA-PMACEKPBSA-N 0 3 442.516 1.262 40 0 IDABHN CN(Cc1ccc(C(C)(C)C)cc1OCC(N)=O)[C@@H]1CCC[C@@H](N2CCOCC2)[C@@H]1O ZINC000257258610 568692377 /nfs/dbraw/zinc/69/23/77/568692377.db2.gz KUTDOXOXQTWZOV-TXTKFYIRSA-N 0 3 433.593 1.894 40 0 IDABHN Cc1cc(N2CCC[C@](O)(CN(C)C(=O)c3ccc(OCCN(C)C)cc3)C2)ncn1 ZINC000257288217 568705967 /nfs/dbraw/zinc/70/59/67/568705967.db2.gz PTJQUJJDYMQVLY-QHCPKHFHSA-N 0 3 427.549 1.829 40 0 IDABHN CC(C)Cc1nc2ccccc2n1CC(=O)N1CC[C@H](O)[C@@H](N2CCN(C)CC2)CC1 ZINC000257333313 568725807 /nfs/dbraw/zinc/72/58/07/568725807.db2.gz YBAYKDASGRAXFU-VXKWHMMOSA-N 0 3 427.593 1.834 40 0 IDABHN Cc1cc(N2CC[C@@](O)(CNC(=O)C3(Cc4ccccc4F)CCN(C)CC3)C2)ncn1 ZINC000257336198 568726825 /nfs/dbraw/zinc/72/68/25/568726825.db2.gz YNMXJXQZNXBBOF-XMMPIXPASA-N 0 3 441.551 1.936 40 0 IDABHN Cn1cc(CN2CCC3(Cc4nc5c(c(=O)n4C3)CN(c3ncccn3)CC5)CC2)cn1 ZINC000306129913 568765964 /nfs/dbraw/zinc/76/59/64/568765964.db2.gz IQLULACBMYRELO-UHFFFAOYSA-N 0 3 432.532 1.168 40 0 IDABHN CCCNC(=O)c1nnc2n1CC1(CCN(Cc3ccc4c(c3)OCO4)CC1)COC2 ZINC000306139555 568771231 /nfs/dbraw/zinc/77/12/31/568771231.db2.gz TTYUSQQKHVVEMI-UHFFFAOYSA-N 0 3 427.505 1.959 40 0 IDABHN COc1cccc(CN2CC[C@@]3(CCn4c3nn(Cc3csc(C)n3)c(=O)c4=O)C2)c1 ZINC000306139969 568771538 /nfs/dbraw/zinc/77/15/38/568771538.db2.gz UFOJKALTRPKMQF-JOCHJYFZSA-N 0 3 439.541 1.774 40 0 IDABHN CS(=O)(=O)Nc1ccc(OC[C@@H](O)CNCCOc2ccc(-n3ccnc3)cc2)cc1 ZINC000002022743 555727620 /nfs/dbraw/zinc/72/76/20/555727620.db2.gz QZWUQVSQIFFFKY-IBGZPJMESA-N 0 3 446.529 1.652 40 0 in-man IDABHN COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NCCN1CCCCCC1 ZINC000408703222 556107960 /nfs/dbraw/zinc/10/79/60/556107960.db2.gz PWSSIWZFLXAMNQ-UHFFFAOYSA-N 0 3 425.551 1.322 40 0 IDABHN CS(=O)(=O)N(CCCC(=O)NCCN1CCCCCC1)c1ccc2c(c1)OCO2 ZINC000408704317 556109560 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CS(=O)(=O)N1CCC[C@@H](N2C(=O)NC3(CCN(CCc4ccccc4)CC3)C2=O)C1 ZINC000019699964 569231032 /nfs/dbraw/zinc/23/10/32/569231032.db2.gz UUMHIYTWBNEHBB-GOSISDBHSA-N 0 3 434.562 1.040 40 0 IDABHN Cn1c2nc(N3CCNCC3)n(Cc3ccccc3)c2c(=O)n(Cc2ccccc2)c1=O ZINC000008892079 569483410 /nfs/dbraw/zinc/48/34/10/569483410.db2.gz YJVGEBQODAYCPR-UHFFFAOYSA-N 0 3 430.512 1.403 40 0 IDABHN CN(C)CCN(Cc1cc2cc3c(cc2[nH]c1=O)OCCO3)C(=S)NC[C@H]1CCCO1 ZINC000006198569 193892244 /nfs/dbraw/zinc/89/22/44/193892244.db2.gz HMKGVTVTQIDOGH-QGZVFWFLSA-N 0 3 446.573 1.716 40 0 IDABHN CN(c1ccc(C(=O)NCCCN2CCN(C)CC2)cc1)S(=O)(=O)c1ccccc1 ZINC000022829654 523635386 /nfs/dbraw/zinc/63/53/86/523635386.db2.gz ZOBAEMBEZPEUDR-UHFFFAOYSA-N 0 3 430.574 1.879 40 0 IDABHN COc1cccc(C(=O)NCCNCCNC(=O)c2cccc(OC)c2OC)c1OC ZINC000005759917 556065080 /nfs/dbraw/zinc/06/50/80/556065080.db2.gz XJOIWEPUXWDDGP-UHFFFAOYSA-N 0 3 431.489 1.470 40 0 IDABHN CCOC(=O)[C@H]1C(=O)N=C(N2CCN(c3ccccn3)CC2)N[C@H]1c1ccc(OC)cc1 ZINC000010385670 556333908 /nfs/dbraw/zinc/33/39/08/556333908.db2.gz RHYJTRBEXXBVFB-UXHICEINSA-N 0 3 437.500 1.619 40 0 IDABHN CN(C)c1cc(N2CCC[C@](O)(CNCc3cccc(CN4CCOCC4)c3)C2)ncn1 ZINC000257226852 556708678 /nfs/dbraw/zinc/70/86/78/556708678.db2.gz FMLBLYNBEKMACX-DEOSSOPVSA-N 0 3 440.592 1.496 40 0 IDABHN CN1C[C@H](C(=O)NC[C@@]2(c3ccccc3)CC[C@H](O)[C@@H](N3CCN(C)CC3)CC2)CC1=O ZINC000257250840 556711742 /nfs/dbraw/zinc/71/17/42/556711742.db2.gz JOFMUPNFEGVFIQ-AXJZPPOTSA-N 0 3 442.604 1.070 40 0 IDABHN Cc1ccc2c(c1)N[C@]1(CCC(=O)N([C@@H](C)C(=O)NCCN3CCCC3)CC1)NC2=O ZINC000019219584 556714048 /nfs/dbraw/zinc/71/40/48/556714048.db2.gz AIUODJDXHFRTNV-GAJHUEQPSA-N 0 3 427.549 1.460 40 0 IDABHN CNc1cc(N2CCC[C@](O)(CNCc3cccc(CN4CCOCC4)c3)C2)ncn1 ZINC000257281264 556714847 /nfs/dbraw/zinc/71/48/47/556714847.db2.gz OOIZHYUQGVXRAF-QHCPKHFHSA-N 0 3 426.565 1.472 40 0 IDABHN Cn1nc(-c2ccc(F)cc2)cc1CN1CCC(NC(=O)CN2CCN(C)CC2)CC1 ZINC000019288908 556728821 /nfs/dbraw/zinc/72/88/21/556728821.db2.gz QCVOJMBRKKFORL-UHFFFAOYSA-N 0 3 428.556 1.554 40 0 IDABHN Cc1ccc2cc(CN(CCN(C)C)C(=S)NCCCN3CCOCC3)c(=O)[nH]c2c1 ZINC000006409555 556834925 /nfs/dbraw/zinc/83/49/25/556834925.db2.gz IFNZADPHWXZAEI-UHFFFAOYSA-N 0 3 445.633 1.797 40 0 IDABHN CCC(=O)N1CCC2(CC1)NC(=O)N([C@H]1CCCN(C(=O)CN3CCCCCC3)C1)C2=O ZINC000019699751 556859764 /nfs/dbraw/zinc/85/97/64/556859764.db2.gz OGYPWYNVPLUOFI-SFHVURJKSA-N 0 3 447.580 1.176 40 0 IDABHN CCN1CCN(CCNC(=O)[C@H]2C[C@H]3CC[C@@H]2C[C@@]32NC(=O)c3ccccc3O2)CC1 ZINC000072339110 556911304 /nfs/dbraw/zinc/91/13/04/556911304.db2.gz PUGIRCRHHJYSCK-OMANQYLTSA-N 0 3 426.561 1.695 40 0 IDABHN CN1CCN(CCCNC(=O)CN2c3ccc(F)cc3-c3ccccc3S2(=O)=O)CC1 ZINC000020037581 556970455 /nfs/dbraw/zinc/97/04/55/556970455.db2.gz AVHUYOYRPGSOBF-UHFFFAOYSA-N 0 3 446.548 1.755 40 0 IDABHN Cc1noc(C)c1C(=O)N1CC[C@@]2(C1)CCc1nnc(C(=O)NCCN(C)C)n1CC2 ZINC000585106770 557041178 /nfs/dbraw/zinc/04/11/78/557041178.db2.gz DWDPWXVSFHHZOW-NRFANRHFSA-N 0 3 429.525 1.043 40 0 IDABHN Cc1noc(C)c1C(=O)N1CCO[C@]2(C1)C(=O)N(CCN(C)C)C[C@H]2c1ccccc1 ZINC000585107000 557041479 /nfs/dbraw/zinc/04/14/79/557041479.db2.gz NONIVOJFEUNZHJ-CVDCTZTESA-N 0 3 426.517 1.690 40 0 IDABHN CN(C)CCN(Cc1cc2cc3c(cc2[nH]c1=O)OCO3)C(=S)NC[C@H]1CCCO1 ZINC000006198577 557150334 /nfs/dbraw/zinc/15/03/34/557150334.db2.gz WDKMWWJAYFRUHV-MRXNPFEDSA-N 0 3 432.546 1.674 40 0 IDABHN CN(Cc1ccc(OCCN2CCOCC2)cc1)C[C@]1(O)CCCN(c2ncccn2)C1 ZINC000585271473 557213472 /nfs/dbraw/zinc/21/34/72/557213472.db2.gz FTTYSIUJALGIKF-XMMPIXPASA-N 0 3 441.576 1.651 40 0 IDABHN COCC(=O)N1CCN(CC2(O)CCCCC2)C[C@@](O)(COc2ccc(C)c(C)c2)C1 ZINC000585282154 557221314 /nfs/dbraw/zinc/22/13/14/557221314.db2.gz HPUSYWZFSSVRMF-DEOSSOPVSA-N 0 3 434.577 1.899 40 0 IDABHN CN(C)C(=O)[C@H]1CN(C[C@@]2(O)CC[C@H](c3ccccc3)CC2)CCN(S(C)(=O)=O)C1 ZINC000585282322 557221603 /nfs/dbraw/zinc/22/16/03/557221603.db2.gz DMKSSUHGPHNCJQ-JAXLGGSGSA-N 0 3 437.606 1.357 40 0 IDABHN CCOC(=O)N1CCC(O)(CN2CCOC[C@@](O)(COc3ccc(F)c(F)c3)C2)CC1 ZINC000585283768 557223199 /nfs/dbraw/zinc/22/31/99/557223199.db2.gz UNXDENWGWFURKI-OAQYLSRUSA-N 0 3 444.475 1.390 40 0 IDABHN COCC(=O)N1CCN(CC2(O)CCCC2)C[C@@](O)(COc2cc(F)cc(F)c2)C1 ZINC000585284732 557224488 /nfs/dbraw/zinc/22/44/88/557224488.db2.gz ZMTBPDQXJBOLPO-NRFANRHFSA-N 0 3 428.476 1.170 40 0 IDABHN COCC(=O)N[C@@H](Cc1ccccc1)C(=O)N1Cc2ccccc2OC[C@@H]1CN(C)C ZINC000057773624 557265425 /nfs/dbraw/zinc/26/54/25/557265425.db2.gz KMWATVARLMQEMD-SFTDATJTSA-N 0 3 425.529 1.712 40 0 IDABHN CN1CCN(CCCNC(=O)CN(c2cccc(Cl)c2Cl)S(C)(=O)=O)CC1 ZINC000022829620 557271174 /nfs/dbraw/zinc/27/11/74/557271174.db2.gz SEXQGGMHVWZLBP-UHFFFAOYSA-N 0 3 437.393 1.513 40 0 IDABHN CCOC(=O)[C@H]1C(=O)N=C(N2CCN(c3ncccn3)CC2)N[C@@H]1c1cccc(Cl)c1 ZINC000013640130 557384818 /nfs/dbraw/zinc/38/48/18/557384818.db2.gz UZFVUFJOAJVKQP-IAGOWNOFSA-N 0 3 442.907 1.658 40 0 IDABHN COCCn1nnnc1[C@H](c1ccc(OC)c(OC)c1)N1CCN(C2CCCC2)CC1 ZINC000019593923 557506183 /nfs/dbraw/zinc/50/61/83/557506183.db2.gz MOTQATUMJDRVFQ-NRFANRHFSA-N 0 3 430.553 1.986 40 0 IDABHN CC[C@@]12C=CCN3CC[C@@]4(c5ccc(OC)cc5N(C)[C@H]4[C@@](O)(C(=O)OC)[C@@H]1C(C)=O)[C@@H]32 ZINC000098181785 557839675 /nfs/dbraw/zinc/83/96/75/557839675.db2.gz PRAVTXPSWIMKTH-KXSDHGPUSA-N 0 3 440.540 1.915 40 0 IDABHN CCOc1cc(CN2CC[C@](O)(CN3CCOCC3)C2)ccc1OCCN1CCOCC1 ZINC000585270869 568617536 /nfs/dbraw/zinc/61/75/36/568617536.db2.gz CAVGYPBLPWQSJB-DEOSSOPVSA-N 0 3 449.592 1.065 40 0 IDABHN Cc1cc(N2CC[C@](O)(CN(C)C(=O)COc3ccc(CN4CCCC4)cc3)C2)ncn1 ZINC000257232637 568680443 /nfs/dbraw/zinc/68/04/43/568680443.db2.gz GLUCRWCQIGSBIK-DEOSSOPVSA-N 0 3 439.560 1.859 40 0 IDABHN CN1CCC(C(=O)N2CC[C@H](Oc3ccccc3)[C@@H](CC(=O)N3CCN(C)CC3)C2)CC1 ZINC000257258717 568692673 /nfs/dbraw/zinc/69/26/73/568692673.db2.gz KVFCLPJMOZBPRY-GMAHTHKFSA-N 0 3 442.604 1.788 40 0 IDABHN O=C(c1ccc(CN2CCCCC2)cc1)N1CC[C@H](O)[C@@H](n2ccc(=O)[nH]c2=O)CC1 ZINC000257290295 568706773 /nfs/dbraw/zinc/70/67/73/568706773.db2.gz QCIFPVZZMUQDBE-PMACEKPBSA-N 0 3 426.517 1.773 40 0 IDABHN Cc1cc(-c2nccn2C)nc(CC2CCN(C3CCN(S(C)(=O)=O)CC3)CC2)n1 ZINC000257291559 568707431 /nfs/dbraw/zinc/70/74/31/568707431.db2.gz QHNNKMQMGAFCST-UHFFFAOYSA-N 0 3 432.594 1.864 40 0 IDABHN CN1CCN([C@H]2CCN(Cc3ccc(C(C)(C)C)cc3OCC(N)=O)CC[C@@H]2O)CC1 ZINC000257330232 568724332 /nfs/dbraw/zinc/72/43/32/568724332.db2.gz XNMIQMGJARWXBL-SFTDATJTSA-N 0 3 432.609 1.421 40 0 IDABHN CN1CCN(C[C@@]2(O)CCN(CC(=O)Nc3ccc(Oc4cccnc4)cc3)C2)CC1 ZINC000257330416 568724458 /nfs/dbraw/zinc/72/44/58/568724458.db2.gz XOHDGSWUOHIHPG-QHCPKHFHSA-N 0 3 425.533 1.497 40 0 IDABHN Cc1nc(Cn2nc3n(c(=O)c2=O)CC[C@@]32CCN(Cc3cnn(C(C)C)c3)C2)cs1 ZINC000306123361 568762758 /nfs/dbraw/zinc/76/27/58/568762758.db2.gz AKYSGPMEUKTPDO-OAQYLSRUSA-N 0 3 441.561 1.543 40 0 IDABHN CN(C)C(=O)N1CCC[C@H]1c1nc(C(=O)NCCCN2CCN(C)CC2)c2ccccn21 ZINC000306126260 568764161 /nfs/dbraw/zinc/76/41/61/568764161.db2.gz DQZVLBVQHRKCFC-IBGZPJMESA-N 0 3 441.580 1.520 40 0 IDABHN Cc1nc(Cn2nc3n(c(=O)c2=O)CC[C@@]32CCN(Cc3ccc(F)cc3)C2)cs1 ZINC000306135418 568769061 /nfs/dbraw/zinc/76/90/61/568769061.db2.gz OQCKTFLHNDCUJC-OAQYLSRUSA-N 0 3 427.505 1.905 40 0 IDABHN O=c1ccc2ncc(=O)n3c2n1C[C@@H]3CN1CCC(NCc2cc3c(cn2)OCCC3)CC1 ZINC000223227887 569177375 /nfs/dbraw/zinc/17/73/75/569177375.db2.gz PZFAZQUREQIODZ-IBGZPJMESA-N 0 3 448.527 1.087 40 0 IDABHN CC[C@]12C=CCN3CC[C@]4(c5ccc(OC)cc5N[C@@H]4[C@](O)(C(=O)OC)[C@H]1OC(C)=O)[C@H]32 ZINC000245229705 569205258 /nfs/dbraw/zinc/20/52/58/569205258.db2.gz DMQBJQRBCCUDSL-QDARVCMOSA-N 0 3 442.512 1.617 40 0 IDABHN O=C([C@@H]1CCCO1)N1CCC[C@@H](N2C(=O)NC3(CCN(Cc4ccccc4)CC3)C2=O)C1 ZINC000019699876 569230839 /nfs/dbraw/zinc/23/08/39/569230839.db2.gz KPRUKWZIOZFJHS-UXHICEINSA-N 0 3 440.544 1.743 40 0 IDABHN CS(=O)(=O)N1CCC[C@H](N2C(=O)NC3(CCN(CCc4ccccc4)CC3)C2=O)C1 ZINC000019699965 569231039 /nfs/dbraw/zinc/23/10/39/569231039.db2.gz UUMHIYTWBNEHBB-SFHVURJKSA-N 0 3 434.562 1.040 40 0 IDABHN CN(C)c1cc(CN(C)S(=O)(=O)c2ccc3c(c2)OCCO3)nc([C@@H]2CCCN2)n1 ZINC000019760361 569237713 /nfs/dbraw/zinc/23/77/13/569237713.db2.gz UIJLEMZLNYAUBN-INIZCTEOSA-N 0 3 433.534 1.559 40 0 IDABHN CC(C)N1CC[C@@H]2[C@H]1C(=O)NC[C@H](CCC(=O)N1CCN(c3ccccc3)CC1)N2C ZINC000035442443 519688759 /nfs/dbraw/zinc/68/87/59/519688759.db2.gz BVXUZVKDYZLQIW-XJUOHMSHSA-N 0 3 427.593 1.397 40 0 biogenic,in-vitro IDABHN CCOC(=O)C1=C([O-])NC(N2CCN(c3ccccn3)CC2)=[NH+][C@H]1c1ccc(F)cc1 ZINC000020801334 521093600 /nfs/dbraw/zinc/09/36/00/521093600.db2.gz UFCFSQHKQPUTPT-OALUTQOASA-N 0 3 425.464 1.749 40 0 IDABHN CCOC(=O)[C@@H]1C(=O)N=C(N2CCN(c3ccccn3)CC2)N[C@H]1c1ccc(F)cc1 ZINC000020801334 521093612 /nfs/dbraw/zinc/09/36/12/521093612.db2.gz UFCFSQHKQPUTPT-OALUTQOASA-N 0 3 425.464 1.749 40 0 IDABHN COc1ccc(CNC(=O)CC[C@@H]2CNC(=O)[C@@H]3C[C@H](NCc4ccccc4)CN32)cc1 ZINC000035442268 524048552 /nfs/dbraw/zinc/04/85/52/524048552.db2.gz FLHFJTFDNLYYJG-XJUOHMSHSA-N 0 3 436.556 1.823 40 0 biogenic,in-vitro IDABHN COc1ccc(S(=O)(=O)N(CC(=O)NCCN(C)C)c2ccc(C)cc2)cc1OC ZINC000013647272 556544167 /nfs/dbraw/zinc/54/41/67/556544167.db2.gz NZXULRZDRHLOAL-UHFFFAOYSA-N 0 3 435.546 1.885 40 0 IDABHN COc1ccc(S(=O)(=O)NCCCN2CCCCCC2)cc1C(=O)N1CCOCC1 ZINC000013668750 556549235 /nfs/dbraw/zinc/54/92/35/556549235.db2.gz RGFFBDZQRLYFRL-UHFFFAOYSA-N 0 3 439.578 1.712 40 0 IDABHN CC(C)c1ccc2c(c1)OCC[C@@H]1CC[C@H](O)[C@@H](CNC(=O)[C@@H]3C[C@@H](CN3)NC2=O)O1 ZINC000514287438 556624286 /nfs/dbraw/zinc/62/42/86/556624286.db2.gz CATQCMLAAWSLQD-HKWIXDGRSA-N 0 3 431.533 1.078 40 0 IDABHN O=C(C[NH+]1CCCCCC1)N1CCCC[C@H]1c1nc2c(c(=O)[n-]1)CCN(C(=O)C1CC1)C2 ZINC000019014939 556692051 /nfs/dbraw/zinc/69/20/51/556692051.db2.gz PVPPGAIRRURJPV-FQEVSTJZSA-N 0 3 441.576 1.994 40 0 IDABHN CNc1cc(N2CCC[C@](O)(CNCc3ccc(OC)c(OCCOC)c3)C2)ncn1 ZINC000257248525 556711490 /nfs/dbraw/zinc/71/14/90/556711490.db2.gz JEAMJJJFTPQYOZ-QFIPXVFZSA-N 0 3 431.537 1.673 40 0 IDABHN CNc1cc(N2CCC[C@@](O)(CNCc3ccc(OCCOCCO)cc3)C2)ncn1 ZINC000257274639 556714079 /nfs/dbraw/zinc/71/40/79/556714079.db2.gz NLYJSXFVRLVTFZ-JOCHJYFZSA-N 0 3 431.537 1.027 40 0 IDABHN O=C(c1ccc(F)cc1)[C@@H]1CN(Cc2ccccc2)C[C@H]1C(=O)N1CCN(CCO)CC1 ZINC000019372512 556749229 /nfs/dbraw/zinc/74/92/29/556749229.db2.gz GEMQBQGHFLCOLR-DHIUTWEWSA-N 0 3 439.531 1.893 40 0 IDABHN Cc1c(CN2CCNC(=O)[C@@H](Cc3ccc(-c4ccccc4)cc3)C2)c(=O)n(C)c(=O)n1C ZINC000019577095 556815254 /nfs/dbraw/zinc/81/52/54/556815254.db2.gz ZYTHLCSBBKUKAA-QFIPXVFZSA-N 0 3 446.551 1.850 40 0 IDABHN O[C@H](CNCc1ccccn1)COc1ccc(OC[C@H](O)CNCc2ccccn2)cc1 ZINC000006475567 556832629 /nfs/dbraw/zinc/83/26/29/556832629.db2.gz AINKPOUJTGSPRM-FGZHOGPDSA-N 0 3 438.528 1.536 40 0 IDABHN Cn1cc(C(=O)NCc2ccccn2)c(CC2CCN(C(=O)C3CCN(C)CC3)CC2)n1 ZINC000019759052 556902581 /nfs/dbraw/zinc/90/25/81/556902581.db2.gz DVQMOXBSIXZKCE-UHFFFAOYSA-N 0 3 438.576 1.868 40 0 IDABHN COc1ncc(CN2C[C@H](C(=O)NCCc3noc(C)n3)C3(C2)CCOCC3)cc1C ZINC000585101903 557035110 /nfs/dbraw/zinc/03/51/10/557035110.db2.gz IRLBTWLIFNVNAD-GOSISDBHSA-N 0 3 429.521 1.678 40 0 IDABHN Cn1cc(CN2C[C@@H]3CN(C(=O)N4CCCC4)CCC[C@]3(C(=O)N3CCOCC3)C2)cn1 ZINC000096251506 557188946 /nfs/dbraw/zinc/18/89/46/557188946.db2.gz PBLBCDOWUXGGEK-OFNKIYASSA-N 0 3 444.580 1.009 40 0 IDABHN O=C(COc1ccc(CNC[C@]2(O)CCN(c3ccc(F)cn3)C2)cc1)N1CCOCC1 ZINC000585270434 557214256 /nfs/dbraw/zinc/21/42/56/557214256.db2.gz JUODSHWQGKCMLX-HSZRJFAPSA-N 0 3 444.507 1.189 40 0 IDABHN CCOC(=O)[C@@H]1C(=O)N=C(N2CCN(c3ccccn3)CC2)N[C@@H]1c1ccc(OC)cc1 ZINC000010385687 557218633 /nfs/dbraw/zinc/21/86/33/557218633.db2.gz RHYJTRBEXXBVFB-VQTJNVASSA-N 0 3 437.500 1.619 40 0 IDABHN CN(C)C(=O)[C@@H]1CN(C[C@@]2(O)CC[C@H](c3ccccc3)CC2)CCN(S(C)(=O)=O)C1 ZINC000585282324 557221649 /nfs/dbraw/zinc/22/16/49/557221649.db2.gz DMKSSUHGPHNCJQ-SJBKTWHCSA-N 0 3 437.606 1.357 40 0 IDABHN CCOC(=O)N1CCC(O)(CN2CCOC[C@@](O)(COc3cc(F)cc(F)c3)C2)CC1 ZINC000585283202 557222745 /nfs/dbraw/zinc/22/27/45/557222745.db2.gz QZYPKRZCMHPBDQ-OAQYLSRUSA-N 0 3 444.475 1.390 40 0 IDABHN Cc1cccc(N2CCC(O)(CN3C[C@@H]4OCC(=O)N(C5CCOCC5)[C@H]4C3)CC2)c1 ZINC000585284687 557224146 /nfs/dbraw/zinc/22/41/46/557224146.db2.gz VEXZADPCQRZZDC-VXKWHMMOSA-N 0 3 429.561 1.417 40 0 IDABHN O=S(=O)(c1ccccc1)N1C[C@@H](O)[C@](O)(CNCc2nc3ccc(Cl)cc3[nH]2)C1 ZINC000585290823 557228377 /nfs/dbraw/zinc/22/83/77/557228377.db2.gz FZPIHERZHCOGIS-MJGOQNOKSA-N 0 3 436.921 1.102 40 0 IDABHN COc1cc(CNC[C@]2(O)CN(C(=O)CCc3ccccc3)C[C@H]2O)cc(OC)c1OC ZINC000585292001 557229897 /nfs/dbraw/zinc/22/98/97/557229897.db2.gz WNMUZKBGCHTVPI-QPPBQGQZSA-N 0 3 444.528 1.369 40 0 IDABHN CCOC(=O)[C@H]1C(=O)N=C(N2CCN(C(=O)OCC)CC2)N[C@H]1c1cccc(Cl)c1 ZINC000013640115 557384810 /nfs/dbraw/zinc/38/48/10/557384810.db2.gz TWBGQHGVDRMKGX-CVEARBPZSA-N 0 3 436.896 1.820 40 0 IDABHN CN(C)CCOc1ccc(NC(=O)C(C)(C)NS(=O)(=O)Cc2ccccc2F)cn1 ZINC000225922906 557792763 /nfs/dbraw/zinc/79/27/63/557792763.db2.gz IDIZZXLTOJYGHY-UHFFFAOYSA-N 0 3 438.525 1.998 40 0 IDABHN CC(C)NC(=O)N1CCC[C@@H](O)[C@H](NC(=O)c2ccc(OCCN3CCCC3)cc2)C1 ZINC000015672140 560230316 /nfs/dbraw/zinc/23/03/16/560230316.db2.gz JKVSLYWMSCRINH-NHCUHLMSSA-N 0 3 432.565 1.834 40 0 biogenic,in-vitro IDABHN CC(=O)NC1CCN(C[C@@]2(O)CCN(Cc3ccc(OCCn4cccn4)cc3)C2)CC1 ZINC000585269999 568616788 /nfs/dbraw/zinc/61/67/88/568616788.db2.gz AIFUZQQJURRMDF-DEOSSOPVSA-N 0 3 441.576 1.499 40 0 IDABHN COc1ccc(OC[C@H](O)CN(C)Cc2ccc(OCC(=O)N3CCOCC3)cc2)cc1 ZINC000585270268 568616910 /nfs/dbraw/zinc/61/69/10/568616910.db2.gz SHCPLMIBXINTHT-HXUWFJFHSA-N 0 3 444.528 1.805 40 0 IDABHN CN(Cc1ccc(OCCN2CCOCC2)cc1)C[C@]1(O)CCN(c2ccccn2)C1 ZINC000585272982 568618169 /nfs/dbraw/zinc/61/81/69/568618169.db2.gz OAUZMTGNNUMPKY-XMMPIXPASA-N 0 3 426.561 1.866 40 0 IDABHN Cc1cc(N2CC[C@](O)(CNCc3ccc(OCCN4CCOCC4)cc3)C2)ncn1 ZINC000585274386 568618447 /nfs/dbraw/zinc/61/84/47/568618447.db2.gz VUXLPYAVQUCMSB-QHCPKHFHSA-N 0 3 427.549 1.227 40 0 IDABHN O=C(CN1CC[C@@](O)(CN2CCC(F)(F)CC2)C1)Nc1ccccc1N1CCOCC1 ZINC000257220525 568674783 /nfs/dbraw/zinc/67/47/83/568674783.db2.gz DLCUXXYOXRFXOW-OAQYLSRUSA-N 0 3 438.519 1.630 40 0 IDABHN CC(=O)N1CCN([C@H]2CCN(C(=O)CCc3nc4ccc(Cl)cc4[nH]3)CC[C@@H]2O)CC1 ZINC000257242965 568685293 /nfs/dbraw/zinc/68/52/93/568685293.db2.gz IEXUIRXSHMZPLU-PMACEKPBSA-N 0 3 447.967 1.665 40 0 IDABHN CN(C[C@@]1(O)CCCN(c2cnccn2)C1)C(=O)COc1ccc(CN2CCCC2)cc1 ZINC000257256816 568691831 /nfs/dbraw/zinc/69/18/31/568691831.db2.gz KNALJHMGBZKSRI-DEOSSOPVSA-N 0 3 439.560 1.941 40 0 IDABHN Cc1cc(N2CC[C@@](O)(CN(C)C(=O)c3ccc(OCCN4CCCC4)cc3)C2)ncn1 ZINC000257296061 568709638 /nfs/dbraw/zinc/70/96/38/568709638.db2.gz RBBNIASKPBUOCY-XMMPIXPASA-N 0 3 439.560 1.973 40 0 IDABHN Cn1cnc(C(=O)NC[C@@]2(c3ccccc3)CC[C@H](O)[C@@H](N3CCN(C)CC3)CC2)c1 ZINC000257325401 568722535 /nfs/dbraw/zinc/72/25/35/568722535.db2.gz WSUNGZABABQXLD-FIXSFTCYSA-N 0 3 425.577 1.639 40 0 IDABHN COc1ccc(CN2CC[C@@]3(CCn4c3nn(Cc3csc(C)n3)c(=O)c4=O)C2)cc1 ZINC000306123984 568763052 /nfs/dbraw/zinc/76/30/52/568763052.db2.gz BCFLDSSVRSZCIE-JOCHJYFZSA-N 0 3 439.541 1.774 40 0 IDABHN CN(C)C(=O)CN1CCC2(Cc3nc4c(c(=O)n3C2)CN(C(=O)c2ccccc2)CC4)CC1 ZINC000306127328 568764702 /nfs/dbraw/zinc/76/47/02/568764702.db2.gz FVVUAEQPTWVPRL-UHFFFAOYSA-N 0 3 449.555 1.168 40 0 IDABHN COc1ccccc1CN1CC[C@@]2(CCn3c2nn(Cc2csc(C)n2)c(=O)c3=O)C1 ZINC000306130942 568766489 /nfs/dbraw/zinc/76/64/89/568766489.db2.gz JSZGQWHECQQSGO-JOCHJYFZSA-N 0 3 439.541 1.774 40 0 IDABHN Cc1noc(C)c1CN1CCC2(CCn3c2nc2c(c3=O)CN(S(C)(=O)=O)CC2)CC1 ZINC000306133287 568767627 /nfs/dbraw/zinc/76/76/27/568767627.db2.gz MHQGKTCEJPKXLU-UHFFFAOYSA-N 0 3 447.561 1.103 40 0 IDABHN Cc1ccc(Cn2nc3n(c(=O)c2=O)C[C@@H]2CN(Cc4ccc5c(c4)OCO5)C[C@H]32)cc1 ZINC000306141158 568771930 /nfs/dbraw/zinc/77/19/30/568771930.db2.gz VMTFRXJMPOIACG-OALUTQOASA-N 0 3 432.480 1.720 40 0 IDABHN CCN(CC)CCCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(OC)ccc1OC ZINC000575420775 568863002 /nfs/dbraw/zinc/86/30/02/568863002.db2.gz DYHZCFFQAOOYRC-MRXNPFEDSA-N 0 3 448.607 1.614 40 0 IDABHN CCS(=O)(=O)N1CCC[C@@H](N2C(=O)NC3(CCN(Cc4ccccc4)CC3)C2=O)C1 ZINC000019699399 569230467 /nfs/dbraw/zinc/23/04/67/569230467.db2.gz HBHNNYZOADDLAM-GOSISDBHSA-N 0 3 434.562 1.387 40 0 IDABHN CN(C)CC(=O)N1CCC[C@@H](N2C(=O)NC3(CCN(Cc4ccccc4)CC3)C2=O)C1 ZINC000019699888 569230859 /nfs/dbraw/zinc/23/08/59/569230859.db2.gz YDGICRNGRWYLLN-LJQANCHMSA-N 0 3 427.549 1.126 40 0 IDABHN O=C([C@H]1CCCO1)N1CCC[C@H](N2C(=O)NC3(CCN(Cc4ccccc4)CC3)C2=O)C1 ZINC000019699879 569230879 /nfs/dbraw/zinc/23/08/79/569230879.db2.gz KPRUKWZIOZFJHS-VQTJNVASSA-N 0 3 440.544 1.743 40 0 IDABHN CCOC(=O)C[C@@H]1CCN(C(=O)Cc2ccccc2)C[C@@H]1CCN1CCC[C@H]1C(N)=O ZINC000020462798 520853479 /nfs/dbraw/zinc/85/34/79/520853479.db2.gz TYSRCCUVCIPABN-ACRUOGEOSA-N 0 3 429.561 1.987 40 0 biogenic,in-vitro IDABHN O=C(CC[C@@H]1CNC(=O)[C@@H]2C[C@H](NCc3ccccn3)CN21)NCc1ccc(F)cc1 ZINC000035442263 526561440 /nfs/dbraw/zinc/56/14/40/526561440.db2.gz VSAYKOZSSJTVIK-HBMCJLEFSA-N 0 3 425.508 1.348 40 0 biogenic,in-vitro IDABHN Cc1cc(N2CC[C@](O)(CNCc3ccc(OCCCN4CCCC4=O)cc3)C2)ncn1 ZINC000257203676 556701373 /nfs/dbraw/zinc/70/13/73/556701373.db2.gz ARBVABCFIATGKZ-DEOSSOPVSA-N 0 3 439.560 1.907 40 0 IDABHN CN(Cc1ccc(OCCCN2CCCC2=O)cc1)C[C@@]1(O)CCN(c2ncccn2)C1 ZINC000257324126 556704951 /nfs/dbraw/zinc/70/49/51/556704951.db2.gz WNHBNSRHCOIDGW-DEOSSOPVSA-N 0 3 439.560 1.941 40 0 IDABHN O=C(CN1CCN(C2CCCC2)CC1)N1CC[C@H](c2cc(=O)n3c(n2)CCCCC3)C1 ZINC000019292015 556731823 /nfs/dbraw/zinc/73/18/23/556731823.db2.gz JUHMHXZETALWGW-IBGZPJMESA-N 0 3 427.593 1.846 40 0 IDABHN O=C(CN1CCN(C2CCCC2)CC1)N1CC[C@@H](c2cc(=O)n3c(n2)CCCCC3)C1 ZINC000019292013 556731827 /nfs/dbraw/zinc/73/18/27/556731827.db2.gz JUHMHXZETALWGW-LJQANCHMSA-N 0 3 427.593 1.846 40 0 IDABHN CN(C)CCN1CCN(C(=O)CN2C[C@H](c3csnn3)[C@@H](c3ccc(F)cc3)C2)CC1 ZINC000019582850 556820332 /nfs/dbraw/zinc/82/03/32/556820332.db2.gz CPSSCVQXICBBPE-UXHICEINSA-N 0 3 446.596 1.566 40 0 IDABHN CN(C)S(=O)(=O)N1CCc2nc([C@H]3CCC[N@H+](Cc4ccsc4)C3)[n-]c(=O)c2C1 ZINC000019583806 556821369 /nfs/dbraw/zinc/82/13/69/556821369.db2.gz XEEWCKUBQFMJTC-HNNXBMFYSA-N 0 3 437.591 1.376 40 0 IDABHN CN(C)S(=O)(=O)N1CCc2nc([C@H]3CCC[N@@H+](Cc4ccsc4)C3)[n-]c(=O)c2C1 ZINC000019583806 556821372 /nfs/dbraw/zinc/82/13/72/556821372.db2.gz XEEWCKUBQFMJTC-HNNXBMFYSA-N 0 3 437.591 1.376 40 0 IDABHN CNc1nc(C2CCN(C)CC2)nc2c1CCN(C(=O)[C@H]1CC(=O)N(CCCOC)C1)C2 ZINC000019710925 556874921 /nfs/dbraw/zinc/87/49/21/556874921.db2.gz JUMOGMWFWZZAIL-KRWDZBQOSA-N 0 3 444.580 1.097 40 0 IDABHN CN(C)S(=O)(=O)N1CCc2nc(C3CC[NH+](Cc4ccc(F)cc4)CC3)[n-]c(=O)c2C1 ZINC000072399026 556971370 /nfs/dbraw/zinc/97/13/70/556971370.db2.gz FRCPJSDZYOUQCH-UHFFFAOYSA-N 0 3 449.552 1.453 40 0 IDABHN Cc1cc(C)cc(C(=O)N2CCC3(CCn4c3nn(CCN(C)C)c(=O)c4=O)CC2)c1 ZINC000585106517 557040302 /nfs/dbraw/zinc/04/03/02/557040302.db2.gz HSTXXASSXBHSMS-UHFFFAOYSA-N 0 3 425.533 1.161 40 0 IDABHN Cc1noc(C)c1C(=O)N1CCO[C@@]2(C1)C(=O)N(CCN(C)C)C[C@H]2c1ccccc1 ZINC000585107001 557041446 /nfs/dbraw/zinc/04/14/46/557041446.db2.gz NONIVOJFEUNZHJ-WMZHIEFXSA-N 0 3 426.517 1.690 40 0 IDABHN CN1CCN(CCCNC(=O)CN(c2cc(Cl)cc(Cl)c2)S(C)(=O)=O)CC1 ZINC000022933451 557051199 /nfs/dbraw/zinc/05/11/99/557051199.db2.gz BCAYIMWHUYAGRE-UHFFFAOYSA-N 0 3 437.393 1.513 40 0 IDABHN CC(=O)N1CCCC[C@H]2[C@@H]1[C@H](c1ccccc1)CN2C(=O)[C@@H](NC(=O)[C@H](C)N)C(C)C ZINC000585261650 557194954 /nfs/dbraw/zinc/19/49/54/557194954.db2.gz PEBGXEKAUULTES-XSXWSVAESA-N 0 3 428.577 1.870 40 0 IDABHN CCOC(=O)N1CCC(O)(CN2CCOC[C@](O)(COc3ccc(F)c(C)c3)C2)CC1 ZINC000585283504 557222722 /nfs/dbraw/zinc/22/27/22/557222722.db2.gz RCPJDHHXVDSLTD-QFIPXVFZSA-N 0 3 440.512 1.560 40 0 IDABHN COc1cc(CNC[C@@]2(O)CCN(C(=O)Cc3ccccc3)C[C@@H]2O)cc(OC)c1OC ZINC000585290706 557227870 /nfs/dbraw/zinc/22/78/70/557227870.db2.gz UKXZDDLFYZMQJY-URXFXBBRSA-N 0 3 444.528 1.369 40 0 IDABHN CCOC(=O)N1CCC(O)(CN2CCOC[C@@](O)(COc3cccc(F)c3)C2)CC1 ZINC000585287787 568619252 /nfs/dbraw/zinc/61/92/52/568619252.db2.gz ROQHHAMOWZEZJT-OAQYLSRUSA-N 0 3 426.485 1.251 40 0 IDABHN Cc1cc(N2CC[C@@](O)(CNC(=O)c3cccc(OCCN4CCCC4)c3)C2)ncn1 ZINC000257214872 568671924 /nfs/dbraw/zinc/67/19/24/568671924.db2.gz CNUWYRHBJKLWOB-HSZRJFAPSA-N 0 3 425.533 1.631 40 0 IDABHN Cc1cc(N2CC[C@](O)(CNC(=O)c3cccc(OCCN4CCCC4)c3)C2)ncn1 ZINC000257214873 568672013 /nfs/dbraw/zinc/67/20/13/568672013.db2.gz CNUWYRHBJKLWOB-QHCPKHFHSA-N 0 3 425.533 1.631 40 0 IDABHN COc1ccc(NC(C)=O)c(NC(=O)CN2CC[C@@](O)(CN3CCC(F)(F)CC3)C2)c1 ZINC000257307632 568714540 /nfs/dbraw/zinc/71/45/40/568714540.db2.gz SZORCKCEFVUXBL-HXUWFJFHSA-N 0 3 440.491 1.760 40 0 IDABHN CNc1cc(N2CCC[C@@](O)(CN(C)C(=O)c3ccc(OCCN(C)C)cc3)C2)ncn1 ZINC000257315023 568717607 /nfs/dbraw/zinc/71/76/07/568717607.db2.gz UZOVGXOESPNXDO-HSZRJFAPSA-N 0 3 442.564 1.562 40 0 IDABHN CN(CC1(O)CCN(c2ccnc3ccncc32)CC1)C(=O)[C@@H](N)Cc1ccc(O)cc1 ZINC000257332936 568725795 /nfs/dbraw/zinc/72/57/95/568725795.db2.gz XZJROMJTUMKVLC-FQEVSTJZSA-N 0 3 435.528 1.695 40 0 IDABHN CN1CCN(CCCNC(=O)c2nc(-c3ccnn3-c3ccccc3)n3ccncc23)CC1 ZINC000306127329 568764747 /nfs/dbraw/zinc/76/47/47/568764747.db2.gz FVXAZHQXUIQPCO-UHFFFAOYSA-N 0 3 444.543 1.949 40 0 IDABHN O=c1c(=O)n(Cc2ccccn2)nc2n1CC[C@@]21CCN(Cc2ccc3c(c2)OCO3)C1 ZINC000306128559 568765141 /nfs/dbraw/zinc/76/51/41/568765141.db2.gz HEESMBOZWTYCTN-HSZRJFAPSA-N 0 3 433.468 1.124 40 0 IDABHN CN1CCN(CCCNC(=O)c2nc([C@H]3CCCN3c3ncccn3)n3ccccc23)CC1 ZINC000306132356 568767083 /nfs/dbraw/zinc/76/70/83/568767083.db2.gz LGGPJGFULBFMJQ-HXUWFJFHSA-N 0 3 448.575 1.833 40 0 IDABHN Cc1nc(Cn2nc3n(c(=O)c2=O)CC[C@@]32CCN(Cc3cccc(F)c3)C2)cs1 ZINC000306132710 568767378 /nfs/dbraw/zinc/76/73/78/568767378.db2.gz LPWBPSQCJONSGY-OAQYLSRUSA-N 0 3 427.505 1.905 40 0 IDABHN O=C(NCc1cccc(F)c1)NC[C@H]1CCc2ncc(C(=O)NCCN3CCCC3)n21 ZINC000306137894 568770162 /nfs/dbraw/zinc/77/01/62/568770162.db2.gz RJKWEJXTLILKNN-GOSISDBHSA-N 0 3 428.512 1.835 40 0 IDABHN CS(=O)(=O)N1CCc2nc3n(c(=O)c2C1)CC1(C3)CCN(Cc2ccc(F)cc2)CC1 ZINC000306139106 568770934 /nfs/dbraw/zinc/77/09/34/568770934.db2.gz SPSDAFMTJRKSTM-UHFFFAOYSA-N 0 3 446.548 1.539 40 0 IDABHN CN(C)CCN1CCN(C(=O)c2nc([C@@H]3CCCN3C(=O)N(C)C)n3ccccc23)CC1 ZINC000306141503 568772095 /nfs/dbraw/zinc/77/20/95/568772095.db2.gz VYIWVFIUMHYTQI-IBGZPJMESA-N 0 3 441.580 1.472 40 0 IDABHN CN(C)CCN1CCN(C(=O)c2nc([C@H]3CCCN3C(=O)N(C)C)n3ccccc23)CC1 ZINC000306141504 568772235 /nfs/dbraw/zinc/77/22/35/568772235.db2.gz VYIWVFIUMHYTQI-LJQANCHMSA-N 0 3 441.580 1.472 40 0 IDABHN CCN1CCC[C@@H]1CNC(=O)[C@H](C)N1CC[C@@]2(CCC1=O)Nc1cc(C)ccc1C(=O)N2 ZINC000248339229 569207702 /nfs/dbraw/zinc/20/77/02/569207702.db2.gz SJWMRANMENYLPN-RHGYRFJNSA-N 0 3 441.576 1.848 40 0 IDABHN O=C(c1ccno1)N1CCC(N2C(=O)NC3(CCN(Cc4ccccc4)CC3)C2=O)CC1 ZINC000019699459 569230611 /nfs/dbraw/zinc/23/06/11/569230611.db2.gz PVNOOFGLCWCDEX-UHFFFAOYSA-N 0 3 437.500 1.866 40 0 IDABHN O=C([C@@H]1CCCO1)N1CCC(N2C(=O)NC3(CCN(Cc4ccccc4)CC3)C2=O)CC1 ZINC000019699456 569230619 /nfs/dbraw/zinc/23/06/19/569230619.db2.gz CIPRBZOIOUNUOT-FQEVSTJZSA-N 0 3 440.544 1.743 40 0 IDABHN COCCC(=O)N1CCC[C@H](N2C(=O)NC3(CCN(CCc4ccccc4)CC3)C2=O)C1 ZINC000019699637 569230732 /nfs/dbraw/zinc/23/07/32/569230732.db2.gz YDBDKAVHHDHFEB-FQEVSTJZSA-N 0 3 442.560 1.643 40 0 IDABHN CCCS(=O)(=O)Nc1ccc(=O)n2c1[C@@H]1C[C@@H](CN(C3CCN(C(C)=O)CC3)C1)C2 ZINC000035415764 520537413 /nfs/dbraw/zinc/53/74/13/520537413.db2.gz LHATXWLEPUFNFN-DLBZAZTESA-N 0 3 436.578 1.430 40 0 biogenic,in-vitro IDABHN CN1[C@@H]2CCN(Cc3cccc(Cl)c3)[C@@H]2C(=O)NC[C@@H]1CCC(=O)N1CCC(O)CC1 ZINC000035442575 524031347 /nfs/dbraw/zinc/03/13/47/524031347.db2.gz SRRGKSIJZSKGGB-DWLFOUALSA-N 0 3 448.995 1.477 40 0 biogenic,in-vitro IDABHN COc1ccc(CNC(=O)CC[C@@H]2CNC(=O)[C@@H]3C[C@H](NCc4ccccn4)CN32)cc1 ZINC000035442267 524048517 /nfs/dbraw/zinc/04/85/17/524048517.db2.gz AAFNATCRUDPMHW-VWPQPMDRSA-N 0 3 437.544 1.218 40 0 biogenic,in-vitro IDABHN O=C(C[NH+]1CCCCCC1)N1CCCC[C@@H]1c1nc2c(c(=O)[n-]1)CCN(C(=O)C1CC1)C2 ZINC000019014942 556692215 /nfs/dbraw/zinc/69/22/15/556692215.db2.gz PVPPGAIRRURJPV-HXUWFJFHSA-N 0 3 441.576 1.994 40 0 IDABHN Cc1nccn1CC(=O)NC[C@]1(c2ccccc2)CC[C@@H](O)[C@H](N2CCOCC2)CC1 ZINC000257208027 556701940 /nfs/dbraw/zinc/70/19/40/556701940.db2.gz BKIKQMPUTVSHLM-CQOQZXRMSA-N 0 3 426.561 1.881 40 0 IDABHN COCCOc1cc(CN2CC[C@@](O)(CN3CCC(NC(C)=O)CC3)C2)ccc1OC ZINC000257223249 556708125 /nfs/dbraw/zinc/70/81/25/556708125.db2.gz DWNXGPGAXHYTPE-HSZRJFAPSA-N 0 3 435.565 1.258 40 0 IDABHN CNc1cc(N2CCC[C@@](O)(CNCc3cccc(CN4CCOCC4)c3)C2)ncn1 ZINC000257281263 556714908 /nfs/dbraw/zinc/71/49/08/556714908.db2.gz OOIZHYUQGVXRAF-HSZRJFAPSA-N 0 3 426.565 1.472 40 0 IDABHN O=C(CN1CC[C@@H](c2cc(=O)n3c(n2)CCCCC3)C1)N1CCN(C2CCCC2)CC1 ZINC000019292031 556731755 /nfs/dbraw/zinc/73/17/55/556731755.db2.gz YAGQAUIBQFIUHU-LJQANCHMSA-N 0 3 427.593 1.846 40 0 IDABHN CC[NH+](CC)CC(=O)N1CCCC[C@@H]1c1nc2c(c(=O)[n-]1)CCN(S(=O)(=O)CC)C2 ZINC000019526325 556784216 /nfs/dbraw/zinc/78/42/16/556784216.db2.gz NXJUUOVRGIUWDN-QGZVFWFLSA-N 0 3 439.582 1.285 40 0 IDABHN CN(C)S(=O)(=O)N1CCc2nc([C@@H]3CCC[N@H+](C[C@H]4CC=CCC4)C3)[n-]c(=O)c2C1 ZINC000019583777 556821440 /nfs/dbraw/zinc/82/14/40/556821440.db2.gz FHVUGNNLWAADPR-DLBZAZTESA-N 0 3 435.594 1.882 40 0 IDABHN CN(C)S(=O)(=O)N1CCc2nc([C@@H]3CCC[N@@H+](C[C@H]4CC=CCC4)C3)[n-]c(=O)c2C1 ZINC000019583777 556821441 /nfs/dbraw/zinc/82/14/41/556821441.db2.gz FHVUGNNLWAADPR-DLBZAZTESA-N 0 3 435.594 1.882 40 0 IDABHN C[N@@H+]1CCc2nc([C@H]3CCCN(C(=O)COc4ccc5c(c4)OCCO5)C3)[n-]c(=O)c2C1 ZINC000019590244 556825373 /nfs/dbraw/zinc/82/53/73/556825373.db2.gz RYDQCZQDXLAIMU-HNNXBMFYSA-N 0 3 440.500 1.726 40 0 IDABHN C[N@H+]1CCc2nc([C@H]3CCCN(C(=O)COc4ccc5c(c4)OCCO5)C3)[n-]c(=O)c2C1 ZINC000019590244 556825374 /nfs/dbraw/zinc/82/53/74/556825374.db2.gz RYDQCZQDXLAIMU-HNNXBMFYSA-N 0 3 440.500 1.726 40 0 IDABHN CN(C)S(=O)(=O)N1CCc2nc(C3CC[NH+](C[C@H]4CC=CCC4)CC3)[n-]c(=O)c2C1 ZINC000072399032 556971487 /nfs/dbraw/zinc/97/14/87/556971487.db2.gz GLUMIEYRUIRYBH-INIZCTEOSA-N 0 3 435.594 1.470 40 0 IDABHN CC(C)CN1Cc2c(C(=O)N3CC[C@@H](N(C)C)C3)ncn2-c2ccccc2S1(=O)=O ZINC000096147380 557176914 /nfs/dbraw/zinc/17/69/14/557176914.db2.gz ZFFFVRDBTFJBHE-MRXNPFEDSA-N 0 3 431.562 1.809 40 0 IDABHN Cn1cc(-c2cnc(N3CCOCC3)nc2)cc1C(=O)N1CCN(c2ccncc2)CC1 ZINC000096147582 557177585 /nfs/dbraw/zinc/17/75/85/557177585.db2.gz AZXVZDGSSVVKKK-UHFFFAOYSA-N 0 3 433.516 1.676 40 0 IDABHN CC(C)c1ccc(S(=O)(=O)N2CC[C@]3(CC(C(=O)NCCN4CCCC4)=NO3)C2)cc1 ZINC000096225590 557184264 /nfs/dbraw/zinc/18/42/64/557184264.db2.gz NOYFLRMQDYDJFC-QFIPXVFZSA-N 0 3 448.589 1.932 40 0 IDABHN CC(=O)N1CCN(C[C@@]2(O)CCN(Cc3ccc(OCc4nccn4C)cc3)C2)CC1 ZINC000585269628 557212427 /nfs/dbraw/zinc/21/24/27/557212427.db2.gz DLFPETOTTPCLOA-QHCPKHFHSA-N 0 3 427.549 1.100 40 0 IDABHN Cc1ccccc1N1CCC(O)(CN2C[C@@H]3OCC(=O)N(C4CCOCC4)[C@H]3C2)CC1 ZINC000585283401 557222713 /nfs/dbraw/zinc/22/27/13/557222713.db2.gz OBCVUZAXQSBROL-VXKWHMMOSA-N 0 3 429.561 1.417 40 0 IDABHN O=S(=O)(c1ccccc1)N1C[C@@H](O)[C@](O)(CNCc2cccc(C(F)(F)F)c2)C1 ZINC000585290274 557227244 /nfs/dbraw/zinc/22/72/44/557227244.db2.gz PWILZHWEJBMXKF-MSOLQXFVSA-N 0 3 430.448 1.592 40 0 IDABHN O=S(=O)(c1ccccc1)N1C[C@@H](O)[C@](O)(CN2CCC(Cc3ccccn3)CC2)C1 ZINC000585292290 557230285 /nfs/dbraw/zinc/23/02/85/557230285.db2.gz ZUECNDZRMXEHDU-YADHBBJMSA-N 0 3 431.558 1.133 40 0 IDABHN COC(=O)CC(=O)C(C(=O)OC)c1nc(C)nc2c1nnn2Cc1ccccc1Cl ZINC000013563244 557353358 /nfs/dbraw/zinc/35/33/58/557353358.db2.gz XLXCJGXZDOJBAG-HNNXBMFYSA-N 0 3 431.836 1.620 40 0 IDABHN COc1ccc(S(=O)(=O)N(C)CC(=O)NCCCN2CCc3ccccc3C2)cc1 ZINC000224056156 557552673 /nfs/dbraw/zinc/55/26/73/557552673.db2.gz QRVGJZDGTUWYLK-UHFFFAOYSA-N 0 3 431.558 1.880 40 0 IDABHN COCCNC(=S)NC[C@H]1C[C@@H]2CCN1C[C@@H]2CN1CCN(c2ccccc2)CC1 ZINC000008636247 565101558 /nfs/dbraw/zinc/10/15/58/565101558.db2.gz DFIGAIACRAZAFY-JAXLGGSGSA-N 0 3 431.650 1.630 40 0 biogenic,in-vitro IDABHN CN1CCN(C[C@]2(O)CCN(Cc3ccc(OCCCN4CCCC4=O)cc3)C2)CC1 ZINC000585270647 568617046 /nfs/dbraw/zinc/61/70/46/568617046.db2.gz OAKHALHNVQMWBG-XMMPIXPASA-N 0 3 430.593 1.262 40 0 IDABHN CN(Cc1ccc(OCCN2CCOCC2)cc1)C[C@@]1(O)CCN(c2ncccn2)C1 ZINC000585270793 568617224 /nfs/dbraw/zinc/61/72/24/568617224.db2.gz BCEMROXZOHQBHN-QHCPKHFHSA-N 0 3 427.549 1.261 40 0 IDABHN Cc1cc(N2CC[C@](O)(CN(C)Cc3ccc(OCCN4CCOCC4)cc3)C2)ncn1 ZINC000585271642 568617963 /nfs/dbraw/zinc/61/79/63/568617963.db2.gz GKALAPXXBNZOPU-DEOSSOPVSA-N 0 3 441.576 1.569 40 0 IDABHN Cc1cc(N2CC[C@@](O)(CNCc3ccc(OCCN4CCOCC4)cc3)C2)ncn1 ZINC000585274383 568618386 /nfs/dbraw/zinc/61/83/86/568618386.db2.gz VUXLPYAVQUCMSB-HSZRJFAPSA-N 0 3 427.549 1.227 40 0 IDABHN Cn1c2nccc([C@H]3CCCN(C(=O)[C@H](N)Cc4ccc(F)cc4)C3)c2c(=O)n(C)c1=O ZINC000257236703 568682130 /nfs/dbraw/zinc/68/21/30/568682130.db2.gz HDIAKTKWCDBWMW-MAUKXSAKSA-N 0 3 439.491 1.047 40 0 IDABHN CN1CCN([C@H]2CCN(C(=O)c3ccc4[nH]c(C(F)(F)F)nc4c3)CC[C@@H]2O)CC1 ZINC000257238468 568683120 /nfs/dbraw/zinc/68/31/20/568683120.db2.gz HLCORMQIEDAYLI-IRXDYDNUSA-N 0 3 425.455 1.795 40 0 IDABHN O=C(c1ccc(OCC[NH+]2CCCCC2)cc1)N1C[C@H](O)[C@@H](n2cc(F)c(=O)[n-]c2=O)C1 ZINC000257329528 568724073 /nfs/dbraw/zinc/72/40/73/568724073.db2.gz XKIKXSNVXYSCJQ-OALUTQOASA-N 0 3 446.479 1.011 40 0 IDABHN O=c1c(=O)n(Cc2ccccn2)nc2n1CC[C@]21CCN(Cc2ccc3c(c2)OCO3)C1 ZINC000306128560 568765281 /nfs/dbraw/zinc/76/52/81/568765281.db2.gz HEESMBOZWTYCTN-QHCPKHFHSA-N 0 3 433.468 1.124 40 0 IDABHN Cn1cc(CN2CC3(CN(C(=O)NCc4ccco4)C3)[C@]3(C2)C(=O)Nc2ccccc23)cn1 ZINC000306133160 568767743 /nfs/dbraw/zinc/76/77/43/568767743.db2.gz MDRVUDKXFBIKBK-DEOSSOPVSA-N 0 3 446.511 1.931 40 0 IDABHN Cc1ccc(S(=O)(=O)NC[C@H]2CCc3ncc(C(=O)NCCN4CCCC4)n32)cc1 ZINC000306144237 568773630 /nfs/dbraw/zinc/77/36/30/568773630.db2.gz ZAGDRHMMHOKWQM-QGZVFWFLSA-N 0 3 431.562 1.483 40 0 IDABHN COCCC(=O)N1CCC[C@@H](N2C(=O)NC3(CCN(CCc4ccccc4)CC3)C2=O)C1 ZINC000019699636 569230724 /nfs/dbraw/zinc/23/07/24/569230724.db2.gz YDBDKAVHHDHFEB-HXUWFJFHSA-N 0 3 442.560 1.643 40 0 IDABHN CN(C)CCNC(=O)c1sc2ncccc2c1[C@H]1CCN(C(=O)c2ccnn2C)C1 ZINC000019702197 569231783 /nfs/dbraw/zinc/23/17/83/569231783.db2.gz RYGQVYRQPKMMDB-AWEZNQCLSA-N 0 3 426.546 1.951 40 0 IDABHN CN(C)CCNC(=O)c1sc2ncccc2c1[C@@H]1CCN(C(=O)c2ccnn2C)C1 ZINC000019702196 569231848 /nfs/dbraw/zinc/23/18/48/569231848.db2.gz RYGQVYRQPKMMDB-CQSZACIVSA-N 0 3 426.546 1.951 40 0 IDABHN CN1CCN(C[C@H]2CN3CC[C@H]2C[C@@H]3CNS(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000022926964 291322409 /nfs/dbraw/zinc/32/24/09/291322409.db2.gz QDSGZRSERHEEEI-JENIJYKNSA-N 0 3 427.014 1.576 40 0 biogenic,in-vitro IDABHN CCOC(=O)C1=C([O-])NC(N2CCN(c3ccccn3)CC2)=[NH+][C@@H]1c1ccc(F)cc1 ZINC000020801327 521092458 /nfs/dbraw/zinc/09/24/58/521092458.db2.gz UFCFSQHKQPUTPT-RBUKOAKNSA-N 0 3 425.464 1.749 40 0 IDABHN CCOC(=O)[C@@H]1C(=O)N=C(N2CCN(c3ccccn3)CC2)N[C@@H]1c1ccc(F)cc1 ZINC000020801327 521092468 /nfs/dbraw/zinc/09/24/68/521092468.db2.gz UFCFSQHKQPUTPT-RBUKOAKNSA-N 0 3 425.464 1.749 40 0 IDABHN CCOC(=O)[C@H]1C(=O)N=C(N2CCN(C(=O)OCC)CC2)N[C@H]1c1ccc(OC)cc1 ZINC000020636939 521280735 /nfs/dbraw/zinc/28/07/35/521280735.db2.gz AHZGAOYLXUFXBJ-SJORKVTESA-N 0 3 432.477 1.176 40 0 IDABHN COC[C@H]1CCCN1[C@H]1[C@@H](CNC(=O)c2ccc(C(F)(F)F)cc2)O[C@@H](CO)[C@H]1O ZINC000020465285 522834773 /nfs/dbraw/zinc/83/47/73/522834773.db2.gz NYZLWUBNXZPBIS-DFBDCSAJSA-N 0 3 432.439 1.035 40 0 biogenic,in-vitro IDABHN COc1ccc(OC)c(N(CC(=O)NCCN(C)C)S(=O)(=O)c2ccc(C)cc2)c1 ZINC000010111545 556325859 /nfs/dbraw/zinc/32/58/59/556325859.db2.gz CTCABFKNKFICNE-UHFFFAOYSA-N 0 3 435.546 1.885 40 0 IDABHN COc1ccc(S(=O)(=O)NCCCN2CCCCC2)cc1C(=O)N1CCOCC1 ZINC000013646262 556543893 /nfs/dbraw/zinc/54/38/93/556543893.db2.gz QVAVMXBAGJCZMV-UHFFFAOYSA-N 0 3 425.551 1.322 40 0 IDABHN O=C1CCCN1CCCOc1ccc(CNC[C@]2(O)CCCN(c3ncccn3)C2)cc1 ZINC000257228380 556708903 /nfs/dbraw/zinc/70/89/03/556708903.db2.gz FTOURYDLFZORCM-XMMPIXPASA-N 0 3 439.560 1.989 40 0 IDABHN CNc1cc(N2CCC[C@@](O)(CNCc3ccc(OC)c(OCCOC)c3)C2)ncn1 ZINC000257248524 556711252 /nfs/dbraw/zinc/71/12/52/556711252.db2.gz JEAMJJJFTPQYOZ-JOCHJYFZSA-N 0 3 431.537 1.673 40 0 IDABHN CN1CCN([C@H]2CC[C@](CNC(=O)CN3CCCC3)(c3ccccc3)CC[C@@H]2O)CC1 ZINC000257268897 556713402 /nfs/dbraw/zinc/71/34/02/556713402.db2.gz MNRVHBSYSBPWSH-LSQMVHIFSA-N 0 3 428.621 1.687 40 0 IDABHN O=C(NCC(F)(F)F)[C@@H]1CN(Cc2ccnc(N3CCOCC3)c2)CC12CCOCC2 ZINC000585101808 557035140 /nfs/dbraw/zinc/03/51/40/557035140.db2.gz ANGWQEMCCDPBLL-KRWDZBQOSA-N 0 3 442.482 1.825 40 0 IDABHN Cc1noc(C)c1C(=O)N1CCO[C@]2(C1)C(=O)N(CCN(C)C)C[C@@H]2c1ccccc1 ZINC000585107002 557041499 /nfs/dbraw/zinc/04/14/99/557041499.db2.gz NONIVOJFEUNZHJ-XXBNENTESA-N 0 3 426.517 1.690 40 0 IDABHN CN1CCN(CCCNC(=O)CN(c2ccc(Cl)c(Cl)c2)S(C)(=O)=O)CC1 ZINC000022933448 557051046 /nfs/dbraw/zinc/05/10/46/557051046.db2.gz ICMMWUUBEUXCNM-UHFFFAOYSA-N 0 3 437.393 1.513 40 0 IDABHN CN(C)C(=O)c1sc2nccnc2c1[C@H]1CCN(C2CCN(S(C)(=O)=O)CC2)C1 ZINC000585182356 557138519 /nfs/dbraw/zinc/13/85/19/557138519.db2.gz DVCYTDDHRIZQPM-ZDUSSCGKSA-N 0 3 437.591 1.606 40 0 IDABHN COc1cccc(OC[C@@H](O)CN(C)Cc2ccc(OCC(=O)N3CCOCC3)cc2)c1 ZINC000585269797 557213808 /nfs/dbraw/zinc/21/38/08/557213808.db2.gz KDUMQNVLMNQFPO-FQEVSTJZSA-N 0 3 444.528 1.805 40 0 IDABHN COCC(=O)N1CCN(CC2(O)CCCCC2)C[C@](O)(COc2ccc(C)c(C)c2)C1 ZINC000585282157 557221655 /nfs/dbraw/zinc/22/16/55/557221655.db2.gz HPUSYWZFSSVRMF-XMMPIXPASA-N 0 3 434.577 1.899 40 0 IDABHN COc1cc(CNC[C@@]2(O)CN(C(=O)CCc3ccccc3)CC[C@@H]2O)cc(OC)c1 ZINC000585283272 557222731 /nfs/dbraw/zinc/22/27/31/557222731.db2.gz DVJAEVKMMKYQMY-LADGPHEKSA-N 0 3 428.529 1.751 40 0 IDABHN COCC(=O)N1CCN(CC2(O)CCCC2)C[C@](O)(COc2cc(F)cc(F)c2)C1 ZINC000585284735 557224612 /nfs/dbraw/zinc/22/46/12/557224612.db2.gz ZMTBPDQXJBOLPO-OAQYLSRUSA-N 0 3 428.476 1.170 40 0 IDABHN CN(Cc1cccc2ncccc12)C[C@]1(O)CN(S(=O)(=O)c2ccccc2)C[C@H]1O ZINC000585290805 557228293 /nfs/dbraw/zinc/22/82/93/557228293.db2.gz FXEWWJORYCAPOF-YADHBBJMSA-N 0 3 427.526 1.463 40 0 IDABHN CCOC(=O)[C@H]1C(=O)N=C(N2CCN(C(=O)OCC)CC2)N[C@@H]1c1cccc(Cl)c1 ZINC000013640111 557384880 /nfs/dbraw/zinc/38/48/80/557384880.db2.gz TWBGQHGVDRMKGX-HZPDHXFCSA-N 0 3 436.896 1.820 40 0 IDABHN CN(Cc1ccc(OCCN2CCOCC2)cc1)C[C@@]1(O)CCN(c2ccccn2)C1 ZINC000585272981 568618088 /nfs/dbraw/zinc/61/80/88/568618088.db2.gz OAUZMTGNNUMPKY-DEOSSOPVSA-N 0 3 426.561 1.866 40 0 IDABHN CCOC(=O)N1CCC(O)(CN2CCOC[C@](O)(COc3cccc(F)c3)C2)CC1 ZINC000585287786 568619430 /nfs/dbraw/zinc/61/94/30/568619430.db2.gz ROQHHAMOWZEZJT-NRFANRHFSA-N 0 3 426.485 1.251 40 0 IDABHN Cc1cc(N2CC[C@](O)(CNC(=O)C3(Cc4cccc(F)c4)CCN(C)CC3)C2)ncn1 ZINC000257216489 568672839 /nfs/dbraw/zinc/67/28/39/568672839.db2.gz CUSJOCHXODLSRT-DEOSSOPVSA-N 0 3 441.551 1.936 40 0 IDABHN Cc1cc(N2CC[C@@](O)(CNC(=O)C3(Cc4cccc(F)c4)CCN(C)CC3)C2)ncn1 ZINC000257216490 568672866 /nfs/dbraw/zinc/67/28/66/568672866.db2.gz CUSJOCHXODLSRT-XMMPIXPASA-N 0 3 441.551 1.936 40 0 IDABHN Cc1cc(N2CCC[C@@](O)(CN(C)C(=O)c3ccc(OCCN(C)C)cc3)C2)ncn1 ZINC000257288216 568705899 /nfs/dbraw/zinc/70/58/99/568705899.db2.gz PTJQUJJDYMQVLY-HSZRJFAPSA-N 0 3 427.549 1.829 40 0 IDABHN CN(C(=O)c1ccc(OCCN2CCCC2)cc1)[C@@H]1CCC[C@@H](N2CCOCC2)[C@@H]1O ZINC000257292140 568707540 /nfs/dbraw/zinc/70/75/40/568707540.db2.gz QKEMSICBZGERNJ-DNVJHFABSA-N 0 3 431.577 1.847 40 0 IDABHN CN(CC1(O)CCN(c2ccnc3cccnc32)CC1)C(=O)[C@@H](N)Cc1ccc(O)cc1 ZINC000257341512 568729219 /nfs/dbraw/zinc/72/92/19/568729219.db2.gz ZKRGSVGFEUHFMC-IBGZPJMESA-N 0 3 435.528 1.695 40 0 IDABHN Cc1nc(Cn2nc3n(c(=O)c2=O)CC[C@]32CCN(Cc3cnn(C(C)C)c3)C2)cs1 ZINC000306123360 568762587 /nfs/dbraw/zinc/76/25/87/568762587.db2.gz AKYSGPMEUKTPDO-NRFANRHFSA-N 0 3 441.561 1.543 40 0 IDABHN CN(C)C(=O)N1CCC[C@@H]1c1nc(C(=O)NCCCN2CCN(C)CC2)c2ccccn21 ZINC000306126261 568764213 /nfs/dbraw/zinc/76/42/13/568764213.db2.gz DQZVLBVQHRKCFC-LJQANCHMSA-N 0 3 441.580 1.520 40 0 IDABHN CN(C)CCNC(=O)[C@@H]1CC[C@@H]2CN(Cc3cccnc3)S(=O)(=O)c3ccccc3N21 ZINC000306132877 568767355 /nfs/dbraw/zinc/76/73/55/568767355.db2.gz LVEIUBZZSWTZHG-QUCCMNQESA-N 0 3 443.573 1.301 40 0 IDABHN Cc1ccc(C(=O)N2CCC3(CCc4nnc(C(=O)NCCN(C)C)n4C3)CC2)s1 ZINC000306143998 568773761 /nfs/dbraw/zinc/77/37/61/568773761.db2.gz YSYWWFMBLDVARX-UHFFFAOYSA-N 0 3 430.578 1.808 40 0 IDABHN CCC(=O)N1CCC2(CC1)NC(=O)N([C@@H]1CCCN(C(=O)CN3CCCC[C@H]3C)C1)C2=O ZINC000248070603 569206991 /nfs/dbraw/zinc/20/69/91/569206991.db2.gz GDJHDJXXQZMCPA-QZTJIDSGSA-N 0 3 447.580 1.175 40 0 IDABHN CCS(=O)(=O)N1CCC(N2C(=O)NC3(CCN(Cc4ccccc4)CC3)C2=O)CC1 ZINC000019699441 569230574 /nfs/dbraw/zinc/23/05/74/569230574.db2.gz KCWLSDLEUWFUMO-UHFFFAOYSA-N 0 3 434.562 1.387 40 0 IDABHN O=C([C@H]1CCCO1)N1CCC(N2C(=O)NC3(CCN(Cc4ccccc4)CC3)C2=O)CC1 ZINC000019699457 569230632 /nfs/dbraw/zinc/23/06/32/569230632.db2.gz CIPRBZOIOUNUOT-HXUWFJFHSA-N 0 3 440.544 1.743 40 0 IDABHN COc1cccc(CNC[C@]2(COc3ccc(S(C)(=O)=O)cc3)C[C@@H](O)[C@@H](O)C2)c1 ZINC000107430511 291324974 /nfs/dbraw/zinc/32/49/74/291324974.db2.gz FOVLZXXJMDZBLT-ZBYYUNFXSA-N 0 3 435.542 1.769 40 0 biogenic,in-vitro IDABHN COc1cccc(CNC[C@H]2O[C@H](Cc3cc(CN4CCOCC4)on3)CC[C@@H]2O)c1 ZINC000077263503 291324978 /nfs/dbraw/zinc/32/49/78/291324978.db2.gz YOOKRMUWDSGOJW-ACIOBRDBSA-N 0 3 431.533 1.756 40 0 biogenic,in-vitro IDABHN COCCNC(=S)NC[C@H]1C[C@@H]2CCN1C[C@@H]2CN1CCN(c2ccc(F)cc2)CC1 ZINC000008635651 291323650 /nfs/dbraw/zinc/32/36/50/291323650.db2.gz PVKMWOKJRARHSN-CNNODRBYSA-N 0 3 449.640 1.769 40 0 biogenic,in-vitro IDABHN COc1ccc(CNC(=O)C[C@@H]2C[C@H]3O[C@H](CNCc4ccc(F)cc4)[C@@H](O)[C@H]3O2)cc1 ZINC000225512662 291324485 /nfs/dbraw/zinc/32/44/85/291324485.db2.gz BKDIXJYYROZDDX-CNSORXHKSA-N 0 3 444.503 1.916 40 0 biogenic,in-vitro IDABHN CCOC(=O)C1=C([O-])NC(N2CCN(c3ccccn3)CC2)=[NH+][C@H]1c1ccc(F)cc1 ZINC000020801331 521280812 /nfs/dbraw/zinc/28/08/12/521280812.db2.gz UFCFSQHKQPUTPT-MOPGFXCFSA-N 0 3 425.464 1.749 40 0 IDABHN CCOC(=O)[C@H]1C(=O)N=C(N2CCN(c3ccccn3)CC2)N[C@H]1c1ccc(F)cc1 ZINC000020801331 521280821 /nfs/dbraw/zinc/28/08/21/521280821.db2.gz UFCFSQHKQPUTPT-MOPGFXCFSA-N 0 3 425.464 1.749 40 0 IDABHN O=C1CCCN1CCCOc1ccc(CNC[C@@]2(O)CCCN(c3ncccn3)C2)cc1 ZINC000257228379 556708892 /nfs/dbraw/zinc/70/88/92/556708892.db2.gz FTOURYDLFZORCM-DEOSSOPVSA-N 0 3 439.560 1.989 40 0 IDABHN Cc1ccc([C@@H]2CN(CC(=O)N3CCN(CCN(C)C)CC3)C[C@H]2c2csnn2)cc1 ZINC000019211994 556709752 /nfs/dbraw/zinc/70/97/52/556709752.db2.gz KJTFAYBYPBOCSG-LEWJYISDSA-N 0 3 442.633 1.735 40 0 IDABHN Cc1cc(N2CCC[C@@](O)(CNC(=O)COc3ccc(CN4CCCC4)cc3)C2)ncn1 ZINC000257248570 556711223 /nfs/dbraw/zinc/71/12/23/556711223.db2.gz JEGMUJCNPNVMLQ-XMMPIXPASA-N 0 3 439.560 1.907 40 0 IDABHN Cc1ccc2c(c1)N[C@@]1(CCC(=O)N([C@H](C)C(=O)NCCN3CCCC3)CC1)NC2=O ZINC000019219587 556714073 /nfs/dbraw/zinc/71/40/73/556714073.db2.gz AIUODJDXHFRTNV-HXOBKFHXSA-N 0 3 427.549 1.460 40 0 IDABHN Cn1ccc(C(=O)NC[C@@]2(c3ccccc3)CC[C@H](O)[C@@H](N3CCN(C)CC3)CC2)n1 ZINC000257286560 556715696 /nfs/dbraw/zinc/71/56/96/556715696.db2.gz PMADNPJLBPNIOO-FIXSFTCYSA-N 0 3 425.577 1.639 40 0 IDABHN Cc1ccc2oc(=O)n(CC(=O)N3CCC[C@@H](c4nc5c(c(=O)[n-]4)C[N@H+](C)CC5)C3)c2c1 ZINC000019221420 556715761 /nfs/dbraw/zinc/71/57/61/556715761.db2.gz ANKXLUMADPDLGT-OAHLLOKOSA-N 0 3 437.500 1.380 40 0 IDABHN Cc1ccc2oc(=O)n(CC(=O)N3CCC[C@@H](c4nc5c(c(=O)[n-]4)C[N@@H+](C)CC5)C3)c2c1 ZINC000019221420 556715762 /nfs/dbraw/zinc/71/57/62/556715762.db2.gz ANKXLUMADPDLGT-OAHLLOKOSA-N 0 3 437.500 1.380 40 0 IDABHN CN(Cc1ccc(OCC(=O)N2CCOCC2)cc1)C[C@]1(O)CCN(c2ccccn2)C1 ZINC000257297428 556717178 /nfs/dbraw/zinc/71/71/78/556717178.db2.gz RHFDHPWYABPTAU-XMMPIXPASA-N 0 3 440.544 1.392 40 0 IDABHN CCN(CC)CCN1c2ccccc2C(=O)N[C@@]2(C)CN(C(=O)[C@@H]3C[C@H]3C)C[C@H]2C1=O ZINC000019526388 556784563 /nfs/dbraw/zinc/78/45/63/556784563.db2.gz ZIWOYMXXILCMPL-BKJGLDIHSA-N 0 3 426.561 1.978 40 0 IDABHN CCN(CC)CCN1c2ccccc2C(=O)N[C@@]2(C)CN(C(=O)[C@@H]3C[C@@H]3C)C[C@H]2C1=O ZINC000019526386 556784606 /nfs/dbraw/zinc/78/46/06/556784606.db2.gz ZIWOYMXXILCMPL-DOGKRZLPSA-N 0 3 426.561 1.978 40 0 IDABHN CCN1CCC[C@H]1CNC(=O)CN1CC[C@@]2(CCC1=O)NC(=O)c1cc(C)ccc1O2 ZINC000019527232 556785331 /nfs/dbraw/zinc/78/53/31/556785331.db2.gz FLEBKTDYCMBGPX-SBUREZEXSA-N 0 3 428.533 1.427 40 0 IDABHN Cc1c(CN2CCNC(=O)[C@H](Cc3ccc(-c4ccccc4)cc3)C2)c(=O)n(C)c(=O)n1C ZINC000019577097 556815158 /nfs/dbraw/zinc/81/51/58/556815158.db2.gz ZYTHLCSBBKUKAA-JOCHJYFZSA-N 0 3 446.551 1.850 40 0 IDABHN CN(C)CCN1CCN(CC(=O)N2C[C@@H](c3ccccc3)[C@H](c3csnn3)C2)CC1 ZINC000019582859 556820381 /nfs/dbraw/zinc/82/03/81/556820381.db2.gz SPHASHXOCFBEDF-VQTJNVASSA-N 0 3 428.606 1.427 40 0 IDABHN COCCOc1ccc(C[N@@H+]2CCc3nc(N4CCOCC4)[n-]c(=O)c3CC2)cc1OC ZINC000019593762 556830111 /nfs/dbraw/zinc/83/01/11/556830111.db2.gz VXKJRIJYIPCIOP-UHFFFAOYSA-N 0 3 444.532 1.653 40 0 IDABHN COCCOc1ccc(C[N@H+]2CCc3nc(N4CCOCC4)[n-]c(=O)c3CC2)cc1OC ZINC000019593762 556830115 /nfs/dbraw/zinc/83/01/15/556830115.db2.gz VXKJRIJYIPCIOP-UHFFFAOYSA-N 0 3 444.532 1.653 40 0 IDABHN CCC(=O)N1CCC2(CC1)NC(=O)N([C@@H]1CCCN(C(=O)CN3CCCC[C@@H]3C)C1)C2=O ZINC000019699748 556859639 /nfs/dbraw/zinc/85/96/39/556859639.db2.gz GDJHDJXXQZMCPA-ZWKOTPCHSA-N 0 3 447.580 1.175 40 0 IDABHN CCN1CCC[C@@H]1CNC(=O)[C@@H](C)N1CC[C@@]2(CCC1=O)Nc1cc(C)ccc1C(=O)N2 ZINC000072327947 556904926 /nfs/dbraw/zinc/90/49/26/556904926.db2.gz SJWMRANMENYLPN-GGUMNFRJSA-N 0 3 441.576 1.848 40 0 IDABHN CN1CCN(CCCNC(=O)[C@H]2C[C@H]3CC[C@]2(C)C[C@]32NC(=O)c3cccnc3N2)CC1 ZINC000072342625 556914679 /nfs/dbraw/zinc/91/46/79/556914679.db2.gz OBGJYBUURDAWIC-WRGFRKCQSA-N 0 3 440.592 1.513 40 0 IDABHN COc1ncc(CN2C[C@@H](C(=O)NCCc3noc(C)n3)C3(C2)CCOCC3)cc1C ZINC000585101908 557035168 /nfs/dbraw/zinc/03/51/68/557035168.db2.gz IRLBTWLIFNVNAD-SFHVURJKSA-N 0 3 429.521 1.678 40 0 IDABHN Cc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)NCCCN1CCN(C)CC1 ZINC000022829928 557043946 /nfs/dbraw/zinc/04/39/46/557043946.db2.gz IWTXPHXPOAKVGL-UHFFFAOYSA-N 0 3 436.622 1.927 40 0 IDABHN CN(c1ccccc1C(=O)NCCCN1CCN(C)CC1)S(=O)(=O)c1ccccc1 ZINC000022933779 557051725 /nfs/dbraw/zinc/05/17/25/557051725.db2.gz MJIIDJPEPCGGHC-UHFFFAOYSA-N 0 3 430.574 1.879 40 0 IDABHN CC(C)CC(=O)N1CCC[C@]2(C(=O)N3CCOCC3)CN(Cc3cnn(C)c3)C[C@@H]2C1 ZINC000096251504 557189022 /nfs/dbraw/zinc/18/90/22/557189022.db2.gz PEYLDDYHPFPTCR-OFNKIYASSA-N 0 3 431.581 1.366 40 0 IDABHN CN1C(=O)[C@H]2CN(Cc3cccnc3)C[C@H]2C12CCN(S(=O)(=O)c1ccccc1)CC2 ZINC000096262260 557189700 /nfs/dbraw/zinc/18/97/00/557189700.db2.gz JVVHBTOOHMAFNA-LEWJYISDSA-N 0 3 440.569 1.825 40 0 IDABHN Cc1ccc(N2CCC(O)(CN3C[C@@H]4OCC(=O)N(C5CCOCC5)[C@H]4C3)CC2)cc1 ZINC000585284503 557224190 /nfs/dbraw/zinc/22/41/90/557224190.db2.gz SRURFNBTFUJMQB-VXKWHMMOSA-N 0 3 429.561 1.417 40 0 IDABHN CC(=O)N1CCC(O)(CN2CCOC[C@](O)(COc3ccc(F)c(Cl)c3)C2)CC1 ZINC000585284777 557224573 /nfs/dbraw/zinc/22/45/73/557224573.db2.gz ZWSHRSWSAXYFHK-FQEVSTJZSA-N 0 3 430.904 1.295 40 0 IDABHN O=S(=O)(c1ccccc1)N1C[C@@H](O)[C@](O)(CN2CCC(Cc3ccccc3)CC2)C1 ZINC000585289457 557226612 /nfs/dbraw/zinc/22/66/12/557226612.db2.gz GWUZZUQJRILKST-PKTZIBPZSA-N 0 3 430.570 1.738 40 0 IDABHN O=S(=O)(c1ccccc1)N1C[C@@H](O)[C@](O)(CNCc2ccc(C(F)(F)F)cc2)C1 ZINC000585290643 557227977 /nfs/dbraw/zinc/22/79/77/557227977.db2.gz RXBRVMDUGVOADL-MSOLQXFVSA-N 0 3 430.448 1.592 40 0 IDABHN O=S(=O)(c1ccccc1)N1C[C@@H](O)[C@](O)(CN2CCN(C3CCCCCC3)CC2)C1 ZINC000585292224 557230412 /nfs/dbraw/zinc/23/04/12/557230412.db2.gz YLWGUVKVNZPYEW-YADHBBJMSA-N 0 3 437.606 1.123 40 0 IDABHN OC[C@H]1[C@H](O)C[C@@H](NCc2ccc3c(c2)OCO3)[C@@H]1Cc1ccnc(-c2cccnc2)n1 ZINC000604382116 557236807 /nfs/dbraw/zinc/23/68/07/557236807.db2.gz FJBDKSHVCAUUBQ-XRXFAXGQSA-N 0 3 434.496 1.958 40 0 biogenic,in-vitro IDABHN COc1ccc(S(=O)(=O)N2C[C@H](C(=O)NC3CCN(C)CC3)Oc3ccccc32)cc1 ZINC000219403904 557242829 /nfs/dbraw/zinc/24/28/29/557242829.db2.gz VKLYTHCUCBAXIO-OAQYLSRUSA-N 0 3 445.541 1.862 40 0 IDABHN CN(C)CC(=O)N[C@@H](Cc1ccccc1)C(=O)N1Cc2ccccc2OC[C@H]1CN(C)C ZINC000057773635 557265315 /nfs/dbraw/zinc/26/53/15/557265315.db2.gz ACRIGBFMNDEZDD-YADHBBJMSA-N 0 3 438.572 1.627 40 0 IDABHN CCOC(=O)[C@@H]1C(=O)N=C(N2CCN(c3ncccn3)CC2)N[C@H]1c1cccc(Cl)c1 ZINC000013640136 557385188 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OCMPCEKGROOHFY-OAQYLSRUSA-N 0 3 433.618 1.726 40 0 IDABHN CN(C)c1cc(N2CCC[C@@](O)(CNCc3cccc(CN4CCOCC4)c3)C2)ncn1 ZINC000257226853 556708513 /nfs/dbraw/zinc/70/85/13/556708513.db2.gz FMLBLYNBEKMACX-XMMPIXPASA-N 0 3 440.592 1.496 40 0 IDABHN COc1cc(C[N@@H+]2CCc3nc(N4CCOCC4)[n-]c(=O)c3CC2)cc(OC)c1OC ZINC000019549890 556795089 /nfs/dbraw/zinc/79/50/89/556795089.db2.gz CFTCBHASJHIAGY-UHFFFAOYSA-N 0 3 430.505 1.645 40 0 IDABHN COc1cc(C[N@H+]2CCc3nc(N4CCOCC4)[n-]c(=O)c3CC2)cc(OC)c1OC ZINC000019549890 556795092 /nfs/dbraw/zinc/79/50/92/556795092.db2.gz CFTCBHASJHIAGY-UHFFFAOYSA-N 0 3 430.505 1.645 40 0 IDABHN COc1cc(CN2CCc3nc(N4CCOCC4)[nH]c(=O)c3CC2)cc(OC)c1OC ZINC000019549890 556795095 /nfs/dbraw/zinc/79/50/95/556795095.db2.gz CFTCBHASJHIAGY-UHFFFAOYSA-N 0 3 430.505 1.645 40 0 IDABHN COc1ccc(C[N@@H+]2CCC[C@@H](c3nc4c(c(=O)[n-]3)CN(S(C)(=O)=O)CC4)C2)cc1 ZINC000019555213 556798296 /nfs/dbraw/zinc/79/82/96/556798296.db2.gz ROFOTPLDXVRYBM-MRXNPFEDSA-N 0 3 432.546 1.476 40 0 IDABHN COc1ccc(C[N@H+]2CCC[C@@H](c3nc4c(c(=O)[n-]3)CN(S(C)(=O)=O)CC4)C2)cc1 ZINC000019555213 556798301 /nfs/dbraw/zinc/79/83/01/556798301.db2.gz ROFOTPLDXVRYBM-MRXNPFEDSA-N 0 3 432.546 1.476 40 0 IDABHN CN(C)S(=O)(=O)N1CCc2nc([C@H]3CCC[N@H+](C[C@H]4CC=CCC4)C3)[n-]c(=O)c2C1 ZINC000019583780 556821448 /nfs/dbraw/zinc/82/14/48/556821448.db2.gz FHVUGNNLWAADPR-IRXDYDNUSA-N 0 3 435.594 1.882 40 0 IDABHN CN(C)S(=O)(=O)N1CCc2nc([C@H]3CCC[N@@H+](C[C@H]4CC=CCC4)C3)[n-]c(=O)c2C1 ZINC000019583780 556821449 /nfs/dbraw/zinc/82/14/49/556821449.db2.gz FHVUGNNLWAADPR-IRXDYDNUSA-N 0 3 435.594 1.882 40 0 IDABHN O=C(CN1CCCCCC1)N1CCO[C@@H](c2cc(C(=O)NCCO)c3ccccc3n2)C1 ZINC000019759428 556903090 /nfs/dbraw/zinc/90/30/90/556903090.db2.gz UZIWGGCWBCZZGD-JOCHJYFZSA-N 0 3 440.544 1.733 40 0 IDABHN CN(C)S(=O)(=O)N1CCc2nc([C@H]3CCC[N@H+](C[C@@H]4CC=CCC4)C3)[n-]c(=O)c2C1 ZINC000257225792 556983523 /nfs/dbraw/zinc/98/35/23/556983523.db2.gz FHVUGNNLWAADPR-SJORKVTESA-N 0 3 435.594 1.882 40 0 IDABHN CN(C)S(=O)(=O)N1CCc2nc([C@H]3CCC[N@@H+](C[C@@H]4CC=CCC4)C3)[n-]c(=O)c2C1 ZINC000257225792 556983529 /nfs/dbraw/zinc/98/35/29/556983529.db2.gz FHVUGNNLWAADPR-SJORKVTESA-N 0 3 435.594 1.882 40 0 IDABHN COCCn1nccc1C(=O)NC[C@@H]1CCC2(CCN(Cc3cc(C)n[nH]3)CC2)CO1 ZINC000585101328 557034849 /nfs/dbraw/zinc/03/48/49/557034849.db2.gz YQXASRCSIDOBPE-IBGZPJMESA-N 0 3 430.553 1.752 40 0 IDABHN COCCn1nccc1C(=O)NC[C@@H]1CCC2(CCN(Cc3cc(C)[nH]n3)CC2)CO1 ZINC000585101328 557034851 /nfs/dbraw/zinc/03/48/51/557034851.db2.gz YQXASRCSIDOBPE-IBGZPJMESA-N 0 3 430.553 1.752 40 0 IDABHN COc1ncc(CN2CC[C@@H]3[C@@H](CO[C@H]3CC(=O)NCCc3cn(C)cn3)C2)cc1C ZINC000585109153 557044331 /nfs/dbraw/zinc/04/43/31/557044331.db2.gz AXIXQBQOWKGWPX-NRSPTQNISA-N 0 3 427.549 1.718 40 0 IDABHN CN1CCN(CCCNC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2Cl)CC1 ZINC000022935203 557052614 /nfs/dbraw/zinc/05/26/14/557052614.db2.gz XFPNVCIPRMJDST-UHFFFAOYSA-N 0 3 428.986 1.492 40 0 IDABHN CN(C)C(=O)c1sc2nccnc2c1[C@@H]1CCN(C2CCN(S(C)(=O)=O)CC2)C1 ZINC000585182355 557138482 /nfs/dbraw/zinc/13/84/82/557138482.db2.gz DVCYTDDHRIZQPM-CYBMUJFWSA-N 0 3 437.591 1.606 40 0 IDABHN CC(C)c1ccc(S(=O)(=O)N2CC[C@@]3(CC(C(=O)NCCN4CCCC4)=NO3)C2)cc1 ZINC000096225591 557184290 /nfs/dbraw/zinc/18/42/90/557184290.db2.gz NOYFLRMQDYDJFC-JOCHJYFZSA-N 0 3 448.589 1.932 40 0 IDABHN COc1cccc(N2CCC(O)(CN3C[C@@H]4OCC(=O)N(C5CCOCC5)[C@H]4C3)CC2)c1 ZINC000585282287 557221570 /nfs/dbraw/zinc/22/15/70/557221570.db2.gz CSSOUSSUUUMNLS-VXKWHMMOSA-N 0 3 445.560 1.117 40 0 IDABHN COCC(=O)N[C@H](Cc1ccccc1)C(=O)N1Cc2ccccc2OC[C@H]1CN(C)C ZINC000057773616 557265341 /nfs/dbraw/zinc/26/53/41/557265341.db2.gz KMWATVARLMQEMD-NHCUHLMSSA-N 0 3 425.529 1.712 40 0 IDABHN COCC(=O)N[C@H](Cc1ccccc1)C(=O)N1Cc2ccccc2OC[C@@H]1CN(C)C ZINC000057773617 557265509 /nfs/dbraw/zinc/26/55/09/557265509.db2.gz KMWATVARLMQEMD-LEWJYISDSA-N 0 3 425.529 1.712 40 0 IDABHN CN1CCN(CCCNC(=O)CN(c2ccccc2)S(=O)(=O)c2ccccc2)CC1 ZINC000022829396 557271015 /nfs/dbraw/zinc/27/10/15/557271015.db2.gz PKLWPIQHQBKTBD-UHFFFAOYSA-N 0 3 430.574 1.636 40 0 IDABHN Cc1cccc(N(CC(=O)NCCCN2CCN(C)CC2)S(=O)(=O)c2ccccc2)c1 ZINC000022829404 557271022 /nfs/dbraw/zinc/27/10/22/557271022.db2.gz FNIYBBBXZQVQQK-UHFFFAOYSA-N 0 3 444.601 1.944 40 0 IDABHN Cc1ccc(C(=O)NCCCN2CCN(C)CC2)cc1S(=O)(=O)N1CCCCCC1 ZINC000022829867 557271036 /nfs/dbraw/zinc/27/10/36/557271036.db2.gz FRHDDXFPULUSQK-UHFFFAOYSA-N 0 3 436.622 1.927 40 0 IDABHN Cc1ccccc1N(CC(=O)NCCCN1CCN(C)CC1)S(=O)(=O)c1ccccc1 ZINC000022829400 557271071 /nfs/dbraw/zinc/27/10/71/557271071.db2.gz YFDPDTOOUYBZHT-UHFFFAOYSA-N 0 3 444.601 1.944 40 0 IDABHN CN1CCN(CCCNC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccccc2)CC1 ZINC000022829459 557271182 /nfs/dbraw/zinc/27/11/82/557271182.db2.gz SHNVJEXXVSPABG-UHFFFAOYSA-N 0 3 448.564 1.775 40 0 IDABHN CN1CCN(CCCNC(=O)CN(c2cc(Cl)ccc2Cl)S(C)(=O)=O)CC1 ZINC000022829685 557271189 /nfs/dbraw/zinc/27/11/89/557271189.db2.gz UZYAZUZYAJLIQX-UHFFFAOYSA-N 0 3 437.393 1.513 40 0 IDABHN COC(=O)CC(=O)C(C(=O)OC)c1nc(C)nc2c1nnn2Cc1ccccc1Cl ZINC000013563243 557353449 /nfs/dbraw/zinc/35/34/49/557353449.db2.gz XLXCJGXZDOJBAG-OAHLLOKOSA-N 0 3 431.836 1.620 40 0 IDABHN O=C(NCCCN1CCc2ccccc2C1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000225563914 557743039 /nfs/dbraw/zinc/74/30/39/557743039.db2.gz LFBAVNHOSNAQQW-UHFFFAOYSA-N 0 3 443.569 1.886 40 0 IDABHN CC(=O)NC1CCN(C[C@]2(O)CCN(Cc3ccc(OCCn4cccn4)cc3)C2)CC1 ZINC000585270001 568616715 /nfs/dbraw/zinc/61/67/15/568616715.db2.gz AIFUZQQJURRMDF-XMMPIXPASA-N 0 3 441.576 1.499 40 0 IDABHN CC(=O)N1CCN(C[C@@]2(O)CCN(Cc3ccc(OCCn4cccn4)cc3)C2)CC1 ZINC000585271310 568618161 /nfs/dbraw/zinc/61/81/61/568618161.db2.gz WAVKTEDGLGPJSH-QHCPKHFHSA-N 0 3 427.549 1.063 40 0 IDABHN CN1CCC(Cc2cccc(F)c2)(C(=O)NC[C@]2(O)CCN(c3cnccn3)C2)CC1 ZINC000257220617 568674590 /nfs/dbraw/zinc/67/45/90/568674590.db2.gz DLMJTDXAQBWWMP-HSZRJFAPSA-N 0 3 427.524 1.628 40 0 IDABHN Cc1cn([C@H]2CN(C(=O)C3(Cc4ccccc4F)CCN(C)CC3)C[C@@H]2O)c(=O)[nH]c1=O ZINC000257247781 568687640 /nfs/dbraw/zinc/68/76/40/568687640.db2.gz JAMFWMAGHMUTMV-OALUTQOASA-N 0 3 444.507 1.095 40 0 IDABHN CN(C[C@]1(O)CCCN(c2cnccn2)C1)C(=O)COc1ccc(CN2CCCC2)cc1 ZINC000257256817 568691833 /nfs/dbraw/zinc/69/18/33/568691833.db2.gz KNALJHMGBZKSRI-XMMPIXPASA-N 0 3 439.560 1.941 40 0 IDABHN Cc1cn([C@H]2CN(C(=O)c3ccc(OCCN4CCCCC4)cc3)C[C@@H]2O)c(=O)[nH]c1=O ZINC000257260742 568693625 /nfs/dbraw/zinc/69/36/25/568693625.db2.gz LEDNEFMXJSSPAE-PMACEKPBSA-N 0 3 442.516 1.180 40 0 IDABHN CCOc1cc(C[N@@H+]2CCC[C@@]3(Cc4c([nH]c(=O)[n-]c4=O)O3)CC2)ccc1OCC(N)=O ZINC000257283173 568703545 /nfs/dbraw/zinc/70/35/45/568703545.db2.gz OXAOLSQCUVQEOD-QFIPXVFZSA-N 0 3 444.488 1.510 40 0 IDABHN CCOc1cc(C[N@H+]2CCC[C@@]3(Cc4c([nH]c(=O)[n-]c4=O)O3)CC2)ccc1OCC(N)=O ZINC000257283173 568703547 /nfs/dbraw/zinc/70/35/47/568703547.db2.gz OXAOLSQCUVQEOD-QFIPXVFZSA-N 0 3 444.488 1.510 40 0 IDABHN CCN1CCC[C@@H]1CNC(=O)[C@H](C)N1CC[C@]2(CCC1=O)Nc1cc(C)ccc1C(=O)N2 ZINC000248339224 569207631 /nfs/dbraw/zinc/20/76/31/569207631.db2.gz SJWMRANMENYLPN-HOOSLVGPSA-N 0 3 441.576 1.848 40 0 IDABHN COc1ccc(N(CC(=O)NCCN(C)C)S(=O)(=O)c2ccc(C)cc2)c(OC)c1 ZINC000010111544 569221178 /nfs/dbraw/zinc/22/11/78/569221178.db2.gz VXVUXOZZPUGGMR-UHFFFAOYSA-N 0 3 435.546 1.885 40 0 IDABHN O=C(CN1CCCCCC1)N1CCO[C@@H](c2c3cccnc3sc2C(=O)NCCO)C1 ZINC000019702958 569232638 /nfs/dbraw/zinc/23/26/38/569232638.db2.gz ZZFCLPCMMDOOBI-QGZVFWFLSA-N 0 3 446.573 1.794 40 0 IDABHN CC(=O)N1CCC(N2C[C@H]3C[C@@H](C2)Cn2c(=O)ccc(NC(=O)c4cnccn4)c23)CC1 ZINC000008300423 291319694 /nfs/dbraw/zinc/31/96/94/291319694.db2.gz QMSPLPAIYWRCTD-DLBZAZTESA-N 0 3 436.516 1.321 40 0 biogenic,in-vitro IDABHN CCOC(=O)C[C@@H]1CCN(C(=O)COc2ccccc2)C[C@@H]1CCN1CCC[C@H]1C(N)=O ZINC000020462793 520854295 /nfs/dbraw/zinc/85/42/95/520854295.db2.gz JLBLMISBOLMBLE-ZJOUEHCJSA-N 0 3 445.560 1.823 40 0 biogenic,in-vitro IDABHN CCOC(=O)[C@@H]1C(=O)N=C(N2CCN(C(=O)OCC)CC2)N[C@@H]1c1ccc(OC)cc1 ZINC000020636937 521092698 /nfs/dbraw/zinc/09/26/98/521092698.db2.gz AHZGAOYLXUFXBJ-DLBZAZTESA-N 0 3 432.477 1.176 40 0 IDABHN NC(=O)C1CCN([C@H]2[C@@H]3OC[C@@H](O3)[C@@H](NCc3ccc(-c4ccccc4)cc3)[C@@H]2O)CC1 ZINC000020463883 526858165 /nfs/dbraw/zinc/85/81/65/526858165.db2.gz FZTQRIIDSYCUEZ-COWNTTACSA-N 0 3 437.540 1.494 40 0 biogenic,in-vitro IDABHN COc1ccccc1-c1c2c(ccn(CCCN3CCN(C)CC3)c2=O)nc2ncnn21 ZINC000040398207 556640113 /nfs/dbraw/zinc/64/01/13/556640113.db2.gz GJUZSVFIXDUJNF-UHFFFAOYSA-N 0 3 433.516 1.752 40 0 IDABHN Cc1ccc(CS(=O)(=O)N2CCC(C(=O)NCCCN3CCN(C)CC3)CC2)cc1 ZINC000044847480 556669923 /nfs/dbraw/zinc/66/99/23/556669923.db2.gz AZWZYWBWEMZJKI-UHFFFAOYSA-N 0 3 436.622 1.291 40 0 IDABHN CN1CCN([C@H]2CC[C@](CNC(=O)Cn3cccn3)(c3ccccc3)CC[C@@H]2O)CC1 ZINC000257227848 556708593 /nfs/dbraw/zinc/70/85/93/556708593.db2.gz FRFCUAWQTKCPCX-FIXSFTCYSA-N 0 3 425.577 1.488 40 0 IDABHN CN1C[C@@H](C(=O)NC[C@@]2(c3ccccc3)CC[C@H](O)[C@@H](N3CCN(C)CC3)CC2)CC1=O ZINC000257250841 556711649 /nfs/dbraw/zinc/71/16/49/556711649.db2.gz JOFMUPNFEGVFIQ-RHQSAMMMSA-N 0 3 442.604 1.070 40 0 IDABHN CC[NH+](CC)CC(=O)N1CCCC[C@H]1c1nc2c(c(=O)[n-]1)CCN(S(=O)(=O)CC)C2 ZINC000019526326 556784373 /nfs/dbraw/zinc/78/43/73/556784373.db2.gz NXJUUOVRGIUWDN-KRWDZBQOSA-N 0 3 439.582 1.285 40 0 IDABHN COc1cc(C[N@@H+]2CCc3nc(N4CCOCC4)[n-]c(=O)c3CC2)ccc1OC(F)F ZINC000019550110 556794966 /nfs/dbraw/zinc/79/49/66/556794966.db2.gz AERLIHYCVZCMBJ-UHFFFAOYSA-N 0 3 436.459 1.817 40 0 IDABHN COc1cc(C[N@H+]2CCc3nc(N4CCOCC4)[n-]c(=O)c3CC2)ccc1OC(F)F ZINC000019550110 556794968 /nfs/dbraw/zinc/79/49/68/556794968.db2.gz AERLIHYCVZCMBJ-UHFFFAOYSA-N 0 3 436.459 1.817 40 0 IDABHN CN(C)S(=O)(=O)N1CCc2nc([C@@H]3CCC[N@H+](Cc4ccsc4)C3)[n-]c(=O)c2C1 ZINC000019583803 556821432 /nfs/dbraw/zinc/82/14/32/556821432.db2.gz XEEWCKUBQFMJTC-OAHLLOKOSA-N 0 3 437.591 1.376 40 0 IDABHN CN(C)S(=O)(=O)N1CCc2nc([C@@H]3CCC[N@@H+](Cc4ccsc4)C3)[n-]c(=O)c2C1 ZINC000019583803 556821433 /nfs/dbraw/zinc/82/14/33/556821433.db2.gz XEEWCKUBQFMJTC-OAHLLOKOSA-N 0 3 437.591 1.376 40 0 IDABHN N[C@@H](CC(=O)N1CCn2c(nnc2C(F)(F)F)C1)Cc1[nH]nc2c1ccc(F)c2F ZINC000068207669 556848118 /nfs/dbraw/zinc/84/81/18/556848118.db2.gz LIPWZZYFIVYJSI-MRVPVSSYSA-N 0 3 429.353 1.754 40 0 in-vivo IDABHN O=C(CN1CCCCCC1)NCCc1nc(N2CCOCC2)ncc1C(=O)N1CCCC1 ZINC000019697760 556855440 /nfs/dbraw/zinc/85/54/40/556855440.db2.gz NXCGXTTXXPQEJQ-UHFFFAOYSA-N 0 3 444.580 1.084 40 0 IDABHN CNc1nc(C2CCN(C)CC2)nc2c1CCN(C(=O)[C@@H]1CC(=O)N(CCCOC)C1)C2 ZINC000019710926 556874832 /nfs/dbraw/zinc/87/48/32/556874832.db2.gz JUMOGMWFWZZAIL-QGZVFWFLSA-N 0 3 444.580 1.097 40 0 IDABHN CCN1CCC[C@H]1CNC(=O)[C@@H](C)N1CC[C@@]2(CCC1=O)Nc1cc(C)ccc1C(=O)N2 ZINC000072327948 556904901 /nfs/dbraw/zinc/90/49/01/556904901.db2.gz SJWMRANMENYLPN-YTZAWJCFSA-N 0 3 441.576 1.848 40 0 IDABHN CCOc1ccccc1C[NH+]1CCC(c2nc3c(c(=O)[n-]2)CN(S(C)(=O)=O)CC3)CC1 ZINC000072399022 556971520 /nfs/dbraw/zinc/97/15/20/556971520.db2.gz IXYVADSNGKUCJX-UHFFFAOYSA-N 0 3 446.573 1.866 40 0 IDABHN CN(C)S(=O)(=O)N1CCc2nc([C@@H]3CCC[N@H+](C[C@@H]4CC=CCC4)C3)[n-]c(=O)c2C1 ZINC000257225791 556983561 /nfs/dbraw/zinc/98/35/61/556983561.db2.gz FHVUGNNLWAADPR-IAGOWNOFSA-N 0 3 435.594 1.882 40 0 IDABHN CN(C)S(=O)(=O)N1CCc2nc([C@@H]3CCC[N@@H+](C[C@@H]4CC=CCC4)C3)[n-]c(=O)c2C1 ZINC000257225791 556983565 /nfs/dbraw/zinc/98/35/65/556983565.db2.gz FHVUGNNLWAADPR-IAGOWNOFSA-N 0 3 435.594 1.882 40 0 IDABHN O=C(NC1CS(=O)(=O)C1)[C@H]1CN(Cc2ccc(-n3ccnc3)cc2)CC12CCOCC2 ZINC000585101880 557035096 /nfs/dbraw/zinc/03/50/96/557035096.db2.gz HUJGXYLLTNFHCJ-HXUWFJFHSA-N 0 3 444.557 1.014 40 0 IDABHN CN(C)CCNC(=O)c1nnc2n1CC[C@@]1(CCN(C(=O)Cc3cccc(F)c3)C1)CC2 ZINC000585106795 557041174 /nfs/dbraw/zinc/04/11/74/557041174.db2.gz QLJQRHIJAXEIBB-QHCPKHFHSA-N 0 3 442.539 1.506 40 0 IDABHN CCOCCCNC(=S)N(CCN(C)C)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 ZINC000006195258 557148702 /nfs/dbraw/zinc/14/87/02/557148702.db2.gz MCCDKKFLNAIHFM-UHFFFAOYSA-N 0 3 448.589 1.964 40 0 IDABHN COc1cc(CNCCCSc2nnnn2C)cc(Br)c1OCC(N)=O ZINC000022109257 557178004 /nfs/dbraw/zinc/17/80/04/557178004.db2.gz DHQMQQJCMXXGOG-UHFFFAOYSA-N 0 3 445.343 1.117 40 0 IDABHN CC(=O)N1CCN([C@H]2CCN(C(=O)c3cc(-c4ccccc4F)[nH]n3)CC[C@@H]2O)CC1 ZINC000585267178 557206243 /nfs/dbraw/zinc/20/62/43/557206243.db2.gz FJQTTWHKRBXCOV-SFTDATJTSA-N 0 3 429.496 1.345 40 0 IDABHN CC(=O)N1CCN([C@H]2CN(Cc3cccc(OCCN4CCCCC4)c3)C[C@@H]2O)CC1 ZINC000585271488 557213537 /nfs/dbraw/zinc/21/35/37/557213537.db2.gz FTYWIZYRNYXFHX-ZEQRLZLVSA-N 0 3 430.593 1.261 40 0 IDABHN O=C(COc1ccc(CNC[C@@]2(O)CCN(c3ccc(F)cn3)C2)cc1)N1CCOCC1 ZINC000585270435 557214228 /nfs/dbraw/zinc/21/42/28/557214228.db2.gz JUODSHWQGKCMLX-QHCPKHFHSA-N 0 3 444.507 1.189 40 0 IDABHN O[C@@]1(CNCc2ccc(OCCN3CCOCC3)cc2)CCCN(c2cnccn2)C1 ZINC000585274260 557218535 /nfs/dbraw/zinc/21/85/35/557218535.db2.gz UUCHNKVOSYTTAO-HSZRJFAPSA-N 0 3 427.549 1.309 40 0 IDABHN CC(=O)N1CCC(O)(CN2CC[C@H](O)[C@@](O)(COc3cc(C)ccc3Cl)C2)CC1 ZINC000585281744 557220182 /nfs/dbraw/zinc/22/01/82/557220182.db2.gz AFQFAQNKGIDYJL-FPOVZHCZSA-N 0 3 426.941 1.198 40 0 IDABHN CCOC(=O)N1CCC(O)(CN2CC[C@H](O)[C@@](O)(COc3cccc(F)c3F)C2)CC1 ZINC000585287570 557227715 /nfs/dbraw/zinc/22/77/15/557227715.db2.gz OPSSPZASFLTDSH-UWJYYQICSA-N 0 3 444.475 1.125 40 0 IDABHN CC[C@]12C=CCN3CC[C@@]4(c5ccc(OC)cc5N[C@@H]4[C@](O)(C(=O)OC)[C@@H]1OC(C)=O)[C@@H]32 ZINC000057517751 557252929 /nfs/dbraw/zinc/25/29/29/557252929.db2.gz DMQBJQRBCCUDSL-JQISIZPESA-N 0 3 442.512 1.617 40 0 IDABHN CN1CCN(CCCNC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCCC3)c2)CC1 ZINC000022829872 557271110 /nfs/dbraw/zinc/27/11/10/557271110.db2.gz JIBNCZKJMCDJMU-UHFFFAOYSA-N 0 3 443.013 1.882 40 0 IDABHN CN1CCN(CCCNC(=O)CN(c2ccc(Cl)cc2Cl)S(C)(=O)=O)CC1 ZINC000022829749 557271161 /nfs/dbraw/zinc/27/11/61/557271161.db2.gz MYGIFBVGYFNIDI-UHFFFAOYSA-N 0 3 437.393 1.513 40 0 IDABHN COc1ccc(Cl)cc1N([C@H](C)C(=O)NCCCN1CCN(C)CC1)S(C)(=O)=O ZINC000022829846 557271198 /nfs/dbraw/zinc/27/11/98/557271198.db2.gz UGYZSAZMPRFHMC-OAHLLOKOSA-N 0 3 447.001 1.257 40 0 IDABHN CN1CCN(CCCNC(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000022829785 557271235 /nfs/dbraw/zinc/27/12/35/557271235.db2.gz HLDOYHZAABZSGP-UHFFFAOYSA-N 0 3 448.564 1.775 40 0 IDABHN CN1CCN(C[C@@]2(O)CCN(Cc3ccc(OCCCN4CCCC4=O)cc3)C2)CC1 ZINC000585270642 568617105 /nfs/dbraw/zinc/61/71/05/568617105.db2.gz OAKHALHNVQMWBG-DEOSSOPVSA-N 0 3 430.593 1.262 40 0 IDABHN CN(Cc1ccc(OCCN2CCOCC2)cc1)C[C@]1(O)CCN(c2ncccn2)C1 ZINC000585270792 568617300 /nfs/dbraw/zinc/61/73/00/568617300.db2.gz BCEMROXZOHQBHN-HSZRJFAPSA-N 0 3 427.549 1.261 40 0 IDABHN CCOC(=O)N1CCC(O)(CN2CC[C@H](O)[C@@](O)(COc3cc(C)cc(C)c3)C2)CC1 ZINC000585286007 568619052 /nfs/dbraw/zinc/61/90/52/568619052.db2.gz GNMNQLQHWMNHTL-REWPJTCUSA-N 0 3 436.549 1.463 40 0 IDABHN O=C(NC[C@@]1(O)CCCN(c2cnccn2)C1)c1cccc(OCCN2CCCC2)c1 ZINC000257289262 568706651 /nfs/dbraw/zinc/70/66/51/568706651.db2.gz PXVFAYNTEUQMCL-QHCPKHFHSA-N 0 3 425.533 1.713 40 0 IDABHN CC(C)n1cc(CN2CC[C@]3(CCn4c3nn(Cc3cccs3)c(=O)c4=O)C2)cn1 ZINC000306124584 568763183 /nfs/dbraw/zinc/76/31/83/568763183.db2.gz BTXURTWJGHZYFM-NRFANRHFSA-N 0 3 426.546 1.840 40 0 IDABHN COc1ccccc1CN1CC[C@]2(CCn3c2nn(Cc2csc(C)n2)c(=O)c3=O)C1 ZINC000306130943 568766413 /nfs/dbraw/zinc/76/64/13/568766413.db2.gz JSZGQWHECQQSGO-QFIPXVFZSA-N 0 3 439.541 1.774 40 0 IDABHN CN(C)CCNC(=O)[C@H]1CC[C@H]2CN(Cc3cccnc3)S(=O)(=O)c3ccccc3N12 ZINC000306132875 568767423 /nfs/dbraw/zinc/76/74/23/568767423.db2.gz LVEIUBZZSWTZHG-AZUAARDMSA-N 0 3 443.573 1.301 40 0 IDABHN COc1ccc(CN2CC[C@]3(Cc4nn(Cc5ccc(OC)cc5)c(=O)c(=O)n4C3)C2)cc1 ZINC000306136599 568769380 /nfs/dbraw/zinc/76/93/80/568769380.db2.gz PXUCPSKWANRINO-VWLOTQADSA-N 0 3 448.523 1.919 40 0 IDABHN CN(C)CC(=O)N1CCC[C@@H](N2C(=O)NC3(CCN(CCc4ccccc4)CC3)C2=O)C1 ZINC000019699640 569230746 /nfs/dbraw/zinc/23/07/46/569230746.db2.gz PNWFMWYIWUHJBM-HXUWFJFHSA-N 0 3 441.576 1.168 40 0 IDABHN O=C(c1ccno1)N1CCC[C@H](N2C(=O)NC3(CCN(Cc4ccccc4)CC3)C2=O)C1 ZINC000019699883 569230889 /nfs/dbraw/zinc/23/08/89/569230889.db2.gz VXZFVVCABZMAMB-SFHVURJKSA-N 0 3 437.500 1.866 40 0 IDABHN COCCC(=O)N1CCC[C@@H](N2C(=O)NC3(CCN(Cc4ccccc4)CC3)C2=O)C1 ZINC000019699874 569230903 /nfs/dbraw/zinc/23/09/03/569230903.db2.gz SZNKGVGVQSOARS-LJQANCHMSA-N 0 3 428.533 1.601 40 0 IDABHN CCN1CCC2(CC1)NC(=O)N([C@H]1CCCN(C(=O)c3ccc4c(c3)OCCO4)C1)C2=O ZINC000019699899 569230920 /nfs/dbraw/zinc/23/09/20/569230920.db2.gz WYWZXUOPENQTBY-KRWDZBQOSA-N 0 3 442.516 1.469 40 0 IDABHN CNCc1cc(N(C)C)nc([C@@H]2CCCN2S(=O)(=O)c2ccc3c(c2)CC(=O)N3C)n1 ZINC000019760897 569237769 /nfs/dbraw/zinc/23/77/69/569237769.db2.gz TUBSZBHNNHAWPH-SFHVURJKSA-N 0 3 444.561 1.307 40 0 IDABHN CC(C)(O)c1cn(C[C@H]2C[C@@H]3CCN2C[C@@H]3C(=O)NCc2ccc3c(c2)OCO3)nn1 ZINC000008298844 291320624 /nfs/dbraw/zinc/32/06/24/291320624.db2.gz LCQRYAPCJLNMCW-BBWFWOEESA-N 0 3 427.505 1.261 40 0 biogenic,in-vitro IDABHN COc1ccc(S(=O)(=O)N(CC(=O)NCCN(C)C)c2ccc(F)cc2)cc1OC ZINC000013646615 556543885 /nfs/dbraw/zinc/54/38/85/556543885.db2.gz QNGHHSSCJRVNRF-UHFFFAOYSA-N 0 3 439.509 1.716 40 0 IDABHN COc1ccc(N(CC(=O)NCCN(C)C)S(=O)(=O)c2ccc(C)cc2)cc1OC ZINC000013670704 556551521 /nfs/dbraw/zinc/55/15/21/556551521.db2.gz WCCLZDZXJZVKBK-UHFFFAOYSA-N 0 3 435.546 1.885 40 0 IDABHN COC[C@H]1CCCN1C[C@@H]1OC[C@H](NC(=O)Nc2ccc(OC(F)(F)F)cc2)[C@H]1O ZINC000514289150 556625462 /nfs/dbraw/zinc/62/54/62/556625462.db2.gz WEJYBCAYLZTIHJ-BSWAZPDLSA-N 0 3 433.427 1.946 40 0 biogenic,in-vitro IDABHN CNCC(=O)N[C@@H]1C[C@@H](Oc2cccc(F)c2)[C@H](O)[C@H]1N1CCN(c2ccccc2)CC1 ZINC000257323599 556704572 /nfs/dbraw/zinc/70/45/72/556704572.db2.gz WLAORKCPUZSZCN-HTDNTCHWSA-N 0 3 442.535 1.233 40 0 IDABHN COCCOc1cc(CN2CC[C@](O)(CN3CCC(NC(C)=O)CC3)C2)ccc1OC ZINC000257223250 556708202 /nfs/dbraw/zinc/70/82/02/556708202.db2.gz DWNXGPGAXHYTPE-QHCPKHFHSA-N 0 3 435.565 1.258 40 0 IDABHN O=C1CCCN1CCCOc1ccc(CNC[C@@]2(O)CCCN(c3cnccn3)C2)cc1 ZINC000257263078 556712657 /nfs/dbraw/zinc/71/26/57/556712657.db2.gz LOHUWLOHJXTQLO-DEOSSOPVSA-N 0 3 439.560 1.989 40 0 IDABHN CN(C)S(=O)(=O)N1CCc2nc([C@H]3CCCN(Cc4ccc(F)cc4)C3)[nH]c(=O)c2C1 ZINC000019583787 556821445 /nfs/dbraw/zinc/82/14/45/556821445.db2.gz CLTGJAHVJPCGKI-INIZCTEOSA-N 0 3 449.552 1.453 40 0 IDABHN Cc1cccc2cc(CN(CCN(C)C)C(=S)NCCCN3CCOCC3)c(=O)[nH]c12 ZINC000006443403 556836236 /nfs/dbraw/zinc/83/62/36/556836236.db2.gz GSDIMENHVIEUJR-UHFFFAOYSA-N 0 3 445.633 1.797 40 0 IDABHN CC(C)C(=O)N1CCC2(CC1)NC(=O)N(C1CCN(C(=O)[C@@H](C)N3CCCC3)CC1)C2=O ZINC000019699378 556858491 /nfs/dbraw/zinc/85/84/91/556858491.db2.gz GCQMXYNIMBGZJO-QGZVFWFLSA-N 0 3 447.580 1.031 40 0 IDABHN CN(C)S(=O)(=O)N1CCc2nc(C3CC[NH+](C[C@@H]4CC=CCC4)CC3)[n-]c(=O)c2C1 ZINC000072399033 556971390 /nfs/dbraw/zinc/97/13/90/556971390.db2.gz GLUMIEYRUIRYBH-MRXNPFEDSA-N 0 3 435.594 1.470 40 0 IDABHN COc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)NCCCN1CCN(C)CC1 ZINC000022933329 557051357 /nfs/dbraw/zinc/05/13/57/557051357.db2.gz UUQPTQORGTVQJW-UHFFFAOYSA-N 0 3 438.594 1.237 40 0 IDABHN CN(C)CCN(Cc1cc2cc3c(cc2[nH]c1=O)OCO3)C(=S)NC[C@@H]1CCCO1 ZINC000006198576 557150402 /nfs/dbraw/zinc/15/04/02/557150402.db2.gz WDKMWWJAYFRUHV-INIZCTEOSA-N 0 3 432.546 1.674 40 0 IDABHN Cn1cc(CN2C[C@@H]3CN(Cc4nccs4)CCC[C@]3(C(=O)N3CCOCC3)C2)cn1 ZINC000096056190 557167227 /nfs/dbraw/zinc/16/72/27/557167227.db2.gz JJXMEXBRGGADLD-UGKGYDQZSA-N 0 3 444.605 1.450 40 0 IDABHN CC(C)CS(=O)(=O)N1CCC[C@]2(C(=O)N(C)C)CN(Cc3cnn(C)c3)C[C@@H]2C1 ZINC000096083073 557168609 /nfs/dbraw/zinc/16/86/09/557168609.db2.gz PGPSOEKVYALXRS-QUCCMNQESA-N 0 3 425.599 1.008 40 0 IDABHN Cn1cnc2c1[C@@H](C(=O)N1CCN(c3ccncc3)CC1)N(C(=O)c1ccccc1)CC2 ZINC000096147203 557177034 /nfs/dbraw/zinc/17/70/34/557177034.db2.gz XVAVQCYVGGSEQN-QFIPXVFZSA-N 0 3 430.512 1.904 40 0 IDABHN Cn1cc(CN2C[C@@H]3CN(C(=O)N4CCCC4)CCC[C@]3(C(=O)NCC3CC3)C2)cn1 ZINC000096251463 557188582 /nfs/dbraw/zinc/18/85/82/557188582.db2.gz ZPTAWAKFMPSHRI-OFNKIYASSA-N 0 3 428.581 1.676 40 0 IDABHN O=C(NCCN1CCOCC1)c1ccc2nnc([C@@H]3CCN(Cc4cccnc4)C3)n2c1 ZINC000096267557 557193294 /nfs/dbraw/zinc/19/32/94/557193294.db2.gz DNELMUOHLYGCQS-LJQANCHMSA-N 0 3 435.532 1.176 40 0 IDABHN COc1cccc(OC[C@H](O)CN(C)Cc2ccc(OCC(=O)N3CCOCC3)cc2)c1 ZINC000585269798 557213682 /nfs/dbraw/zinc/21/36/82/557213682.db2.gz KDUMQNVLMNQFPO-HXUWFJFHSA-N 0 3 444.528 1.805 40 0 IDABHN O[C@H]1CN(Cc2cccc(CN3CCOCC3)c2)C[C@@H]1N1CCN(c2ccccc2)CC1 ZINC000585271739 557216251 /nfs/dbraw/zinc/21/62/51/557216251.db2.gz HAQOABRVWHMTEB-UIOOFZCWSA-N 0 3 436.600 1.886 40 0 IDABHN COc1ccc(S(=O)(=O)N2C[C@@H](C(=O)NC3CCN(C)CC3)Oc3ccccc32)cc1 ZINC000219403818 557242780 /nfs/dbraw/zinc/24/27/80/557242780.db2.gz VKLYTHCUCBAXIO-NRFANRHFSA-N 0 3 445.541 1.862 40 0 IDABHN CN(C)CC(=O)N[C@H](Cc1ccccc1)C(=O)N1Cc2ccccc2OC[C@H]1CN(C)C ZINC000057773626 557265460 /nfs/dbraw/zinc/26/54/60/557265460.db2.gz ACRIGBFMNDEZDD-FGZHOGPDSA-N 0 3 438.572 1.627 40 0 IDABHN CN1CCC(NC(=O)[C@H]2CN(S(=O)(=O)Cc3ccccc3)c3ccccc3O2)CC1 ZINC000113946434 557380763 /nfs/dbraw/zinc/38/07/63/557380763.db2.gz GKSBZMFTAVRCCZ-OAQYLSRUSA-N 0 3 429.542 1.994 40 0 IDABHN CCOC(=O)[C@@H]1C(=O)N=C(N2CCN(c3ncccn3)CC2)N[C@@H]1c1cccc(Cl)c1 ZINC000013640132 557385269 /nfs/dbraw/zinc/38/52/69/557385269.db2.gz UZFVUFJOAJVKQP-DLBZAZTESA-N 0 3 442.907 1.658 40 0 IDABHN Cn1cc(C(=O)NC[C@@]2(c3ccccc3)CC[C@H](O)[C@@H](N3CCN(C)CC3)CC2)cn1 ZINC000257204651 568667178 /nfs/dbraw/zinc/66/71/78/568667178.db2.gz AVTBIYCMKOWVMD-FIXSFTCYSA-N 0 3 425.577 1.639 40 0 IDABHN O=C(NC[C@@]1(O)CCN(c2cnccn2)C1)c1ccc(OCCN2CCCCC2)cc1 ZINC000257206428 568668222 /nfs/dbraw/zinc/66/82/22/568668222.db2.gz BDJPHLJNMLQMPX-QHCPKHFHSA-N 0 3 425.533 1.713 40 0 IDABHN CN(C)CC(=O)N[C@@H]1C[C@@H](Oc2cccc(F)c2)[C@H](O)[C@H]1N1CCc2ccccc2C1 ZINC000257222765 568675352 /nfs/dbraw/zinc/67/53/52/568675352.db2.gz DUQHFHPWYNSYPD-HTDNTCHWSA-N 0 3 427.520 1.811 40 0 IDABHN CN(C)CCOc1ccc(C(=O)N(C)C[C@@]2(O)CCN(c3cccc4nccn43)C2)cc1 ZINC000257230414 568679123 /nfs/dbraw/zinc/67/91/23/568679123.db2.gz GCFFXPUDVOTGGO-DEOSSOPVSA-N 0 3 437.544 1.988 40 0 IDABHN Cn1c2nccc([C@@H]3CCCN(C(=O)[C@@H](N)Cc4ccc(F)cc4)C3)c2c(=O)n(C)c1=O ZINC000257236704 568682287 /nfs/dbraw/zinc/68/22/87/568682287.db2.gz HDIAKTKWCDBWMW-QAPCUYQASA-N 0 3 439.491 1.047 40 0 IDABHN Cc1nn(C)cc1C(=O)NC[C@@]1(c2ccccc2)CC[C@H](O)[C@@H](N2CCN(C)CC2)CC1 ZINC000257251808 568689304 /nfs/dbraw/zinc/68/93/04/568689304.db2.gz JSIFDYRSFDBPAP-LSQMVHIFSA-N 0 3 439.604 1.947 40 0 IDABHN CNc1cc(N2CCC[C@](O)(CN(C)C(=O)c3cccc(OCCN(C)C)c3)C2)ncn1 ZINC000257328132 568723437 /nfs/dbraw/zinc/72/34/37/568723437.db2.gz XEHPRCPAJALFBE-QHCPKHFHSA-N 0 3 442.564 1.562 40 0 IDABHN Cc1cc(N2CC[C@](O)(CNC(=O)C3(Cc4ccccc4F)CCN(C)CC3)C2)ncn1 ZINC000257336197 568726794 /nfs/dbraw/zinc/72/67/94/568726794.db2.gz YNMXJXQZNXBBOF-DEOSSOPVSA-N 0 3 441.551 1.936 40 0 IDABHN CCN(CC)CCCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(OC)cc1OC ZINC000575426429 568865437 /nfs/dbraw/zinc/86/54/37/568865437.db2.gz SVKWYALZQVDVTC-MRXNPFEDSA-N 0 3 448.607 1.614 40 0 IDABHN CCN1CCC[C@@H]1CNC(=O)CN1CC[C@]2(CCC1=O)NC(=O)c1cc(C)ccc1O2 ZINC000248330309 569207616 /nfs/dbraw/zinc/20/76/16/569207616.db2.gz FLEBKTDYCMBGPX-UZUQRXQVSA-N 0 3 428.533 1.427 40 0 IDABHN CCN1CCC[C@@H]1CNC(=O)[C@@H](C)N1CC[C@]2(CCC1=O)Nc1cc(C)ccc1C(=O)N2 ZINC000248339227 569207679 /nfs/dbraw/zinc/20/76/79/569207679.db2.gz SJWMRANMENYLPN-QZTZHPFYSA-N 0 3 441.576 1.848 40 0 IDABHN CN(C)CC(=O)N1CCC(N2C(=O)NC3(CCN(CCc4ccccc4)CC3)C2=O)CC1 ZINC000019699327 569230430 /nfs/dbraw/zinc/23/04/30/569230430.db2.gz SJTIBBRVGMFFDE-UHFFFAOYSA-N 0 3 441.576 1.168 40 0 IDABHN COCC(=O)N1CCC(N2C(=O)NC3(CCN(CCc4ccccc4)CC3)C2=O)CC1 ZINC000019699319 569230447 /nfs/dbraw/zinc/23/04/47/569230447.db2.gz NBBSFSBUECVFLF-UHFFFAOYSA-N 0 3 428.533 1.253 40 0 IDABHN CCS(=O)(=O)N1CCC[C@H](N2C(=O)NC3(CCN(Cc4ccccc4)CC3)C2=O)C1 ZINC000019699400 569230471 /nfs/dbraw/zinc/23/04/71/569230471.db2.gz HBHNNYZOADDLAM-SFHVURJKSA-N 0 3 434.562 1.387 40 0 IDABHN O=C([C@H]1CCCO1)N1CCC[C@@H](N2C(=O)NC3(CCN(Cc4ccccc4)CC3)C2=O)C1 ZINC000019699878 569230870 /nfs/dbraw/zinc/23/08/70/569230870.db2.gz KPRUKWZIOZFJHS-WOJBJXKFSA-N 0 3 440.544 1.743 40 0 IDABHN CS(=O)(=O)N1CCC(CN2C(=O)NC3(CCN(Cc4ccccc4)CC3)C2=O)CC1 ZINC000019700710 569231294 /nfs/dbraw/zinc/23/12/94/569231294.db2.gz DTLPTCUFGFZZKV-UHFFFAOYSA-N 0 3 434.562 1.245 40 0 IDABHN CC(=O)N1CCC(N2CCN3[C@H](CN(C(=O)NCc4ccccc4)CC3(C)C)C2)CC1 ZINC000253409125 291319711 /nfs/dbraw/zinc/31/97/11/291319711.db2.gz ZMNGEZSKRHWKCW-QFIPXVFZSA-N 0 3 427.593 1.988 40 0 biogenic,in-vitro IDABHN CCOC(=O)[C@@H]1C(=O)N=C(N2CCN(C(=O)OCC)CC2)N[C@H]1c1ccc(OC)cc1 ZINC000020636942 521093080 /nfs/dbraw/zinc/09/30/80/521093080.db2.gz AHZGAOYLXUFXBJ-IRXDYDNUSA-N 0 3 432.477 1.176 40 0 IDABHN C[C@]12CN(Cc3ccccc3)C[C@H]1C(=O)N(CCN1CCOCC1)c1ccccc1C(=O)N2 ZINC000012231863 525353547 /nfs/dbraw/zinc/35/35/47/525353547.db2.gz HVKGSRIAHCNGCZ-NVQXNPDNSA-N 0 3 448.567 1.986 40 0 IDABHN O=S(=O)(NC1CC1)c1ccc(S(=O)(=O)N2CCC(N3CCCCC3)CC2)cc1 ZINC000035311643 527207567 /nfs/dbraw/zinc/20/75/67/527207567.db2.gz PQEYLDOJGPFHSK-UHFFFAOYSA-N 0 3 427.592 1.766 40 0 IDABHN CCOC(=O)[C@H]1C(=O)N=C(N2CCN(c3ccccn3)CC2)N[C@@H]1c1ccc(OC)cc1 ZINC000010385681 556333891 /nfs/dbraw/zinc/33/38/91/556333891.db2.gz RHYJTRBEXXBVFB-WOJBJXKFSA-N 0 3 437.500 1.619 40 0 IDABHN O=C(CC[C@@H]1CNC(=O)[C@@H]2C[C@H](NCc3ccc(CO)o3)CN21)N1CCc2ccccc21 ZINC000022936729 556455129 /nfs/dbraw/zinc/45/51/29/556455129.db2.gz FRIAXLRMRSBFFT-SVMVAKDDSA-N 0 3 438.528 1.172 40 0 biogenic,in-vitro IDABHN COC(=O)c1cccc(C(=O)N2CC3(C2)CN(CCc2ccccc2)C[C@H]2C[C@@H](O)CN23)c1 ZINC000514289252 556625519 /nfs/dbraw/zinc/62/55/19/556625519.db2.gz KIVJNPUTDGGUCK-DHIUTWEWSA-N 0 3 449.551 1.661 40 0 biogenic,in-vitro IDABHN Cc1cc(N2CC[C@@](O)(CNCc3ccc(OCCCN4CCCC4=O)cc3)C2)ncn1 ZINC000257203677 556701616 /nfs/dbraw/zinc/70/16/16/556701616.db2.gz ARBVABCFIATGKZ-XMMPIXPASA-N 0 3 439.560 1.907 40 0 IDABHN COc1cc(CN2C[C@H](O)[C@@H](N3CCN(C)CC3)C2)ccc1OCCN1CCC(C)CC1 ZINC000257212209 556702643 /nfs/dbraw/zinc/70/26/43/556702643.db2.gz CCJJXNWAGQPLDS-GOTSBHOMSA-N 0 3 446.636 1.598 40 0 IDABHN Cn1nccc1C(=O)NC[C@@]1(c2ccccc2)CC[C@H](O)[C@@H](N2CCN(C)CC2)CC1 ZINC000257326378 556705236 /nfs/dbraw/zinc/70/52/36/556705236.db2.gz WWZOTXSQPDUGAI-SSPYTLHUSA-N 0 3 425.577 1.639 40 0 IDABHN CN1CCN([C@H]2CC[C@](CNC(=O)Cn3ccnc3)(c3ccccc3)CC[C@@H]2O)CC1 ZINC000257257583 556712414 /nfs/dbraw/zinc/71/24/14/556712414.db2.gz KQGPRYXZOJRRBP-FIXSFTCYSA-N 0 3 425.577 1.488 40 0 IDABHN O=C(COc1ccc(CN2CCCC2)cc1)NC[C@]1(O)CCCN(c2cnccn2)C1 ZINC000257279728 556714943 /nfs/dbraw/zinc/71/49/43/556714943.db2.gz OHXSOSOBYZGKQR-HSZRJFAPSA-N 0 3 425.533 1.599 40 0 IDABHN Cc1ccc2oc(=O)n(CC(=O)N3CCC[C@H](c4nc5c(c(=O)[n-]4)C[N@H+](C)CC5)C3)c2c1 ZINC000019221423 556715791 /nfs/dbraw/zinc/71/57/91/556715791.db2.gz ANKXLUMADPDLGT-HNNXBMFYSA-N 0 3 437.500 1.380 40 0 IDABHN Cc1ccc2oc(=O)n(CC(=O)N3CCC[C@H](c4nc5c(c(=O)[n-]4)C[N@@H+](C)CC5)C3)c2c1 ZINC000019221423 556715794 /nfs/dbraw/zinc/71/57/94/556715794.db2.gz ANKXLUMADPDLGT-HNNXBMFYSA-N 0 3 437.500 1.380 40 0 IDABHN CC(C)(C)OC(=O)N1C[C@H](O)C[C@@H](NCc2cccc(CN3CCOCC3)c2)[C@H](O)C1 ZINC000257289803 556715954 /nfs/dbraw/zinc/71/59/54/556715954.db2.gz QAGNSCJDTXBIIR-NJDAHSKKSA-N 0 3 435.565 1.340 40 0 IDABHN COc1cc(CN2CC[C@](O)(CN3CCN(c4ccccc4)CC3)C2)ccc1OCCO ZINC000257290675 556715982 /nfs/dbraw/zinc/71/59/82/556715982.db2.gz QDWSPZDRRIOMKL-VWLOTQADSA-N 0 3 441.572 1.825 40 0 IDABHN CN(Cc1ccc(OCC(=O)N2CCOCC2)cc1)C[C@@]1(O)CCN(c2ccccn2)C1 ZINC000257297427 556716952 /nfs/dbraw/zinc/71/69/52/556716952.db2.gz RHFDHPWYABPTAU-DEOSSOPVSA-N 0 3 440.544 1.392 40 0 IDABHN CC(=O)NC1CCN(C[C@]2(O)CCN(Cc3ccc(OCc4nccn4C)cc3)C2)CC1 ZINC000257307920 556718213 /nfs/dbraw/zinc/71/82/13/556718213.db2.gz TUSQTYZGLAWCAY-XMMPIXPASA-N 0 3 441.576 1.536 40 0 IDABHN O[C@@H](CNCc1ccccn1)COc1ccc(OC[C@@H](O)CNCc2ccccn2)cc1 ZINC000006475564 556832645 /nfs/dbraw/zinc/83/26/45/556832645.db2.gz AINKPOUJTGSPRM-VXKWHMMOSA-N 0 3 438.528 1.536 40 0 IDABHN CCC(=O)N1CCC2(CC1)NC(=O)N([C@H]1CCCN(C(=O)CN3CCCC[C@@H]3C)C1)C2=O ZINC000019699749 556859708 /nfs/dbraw/zinc/85/97/08/556859708.db2.gz GDJHDJXXQZMCPA-ROUUACIJSA-N 0 3 447.580 1.175 40 0 IDABHN O=C(c1ccc(C[NH+]2CCCCC2)cc1)N1CCc2c(=O)[n-]c(N3CCOCC3)nc2C1 ZINC000072346915 556918035 /nfs/dbraw/zinc/91/80/35/556918035.db2.gz WUGSOKQARWZVLH-UHFFFAOYSA-N 0 3 437.544 1.791 40 0 IDABHN O=C(Cn1ccc(=O)[nH]c1=O)NC1CCN(CC2(c3cccc(F)c3)CCCC2)CC1 ZINC000072393442 556964761 /nfs/dbraw/zinc/96/47/61/556964761.db2.gz DGYXGWQGBBQSTH-UHFFFAOYSA-N 0 3 428.508 1.768 40 0 IDABHN COc1ccc(N([C@H](C)C(=O)NCCCN2CCN(C)CC2)S(C)(=O)=O)cc1Cl ZINC000022934921 557052106 /nfs/dbraw/zinc/05/21/06/557052106.db2.gz YSRZUINKKYPTMH-OAHLLOKOSA-N 0 3 447.001 1.257 40 0 IDABHN COc1ccc(CN(C)[C@@H]2CN(Cc3ccc(OCCOCCO)cc3)C[C@H]2O)cc1 ZINC000585269677 557213894 /nfs/dbraw/zinc/21/38/94/557213894.db2.gz HUKYWRAFWBKDIT-DNQXCXABSA-N 0 3 430.545 1.760 40 0 IDABHN COc1cc(CNC[C@]2(O)CCN(c3ccccn3)C2)ccc1OCCN1CCOCC1 ZINC000585274180 557218363 /nfs/dbraw/zinc/21/83/63/557218363.db2.gz UFZXAWXIXYCKNE-XMMPIXPASA-N 0 3 442.560 1.532 40 0 IDABHN O=S(=O)(c1ccccc1)N1CC[C@H](O)[C@@](O)(CNCc2cccc(C(F)(F)F)c2)C1 ZINC000585283095 557222413 /nfs/dbraw/zinc/22/24/13/557222413.db2.gz BOWDDDZBQVWPMJ-RBUKOAKNSA-N 0 3 444.475 1.982 40 0 IDABHN CCOC(=O)N1CCC(O)(CN2CC[C@H](O)[C@@](O)(COc3cccc(Cl)c3)C2)CC1 ZINC000585284351 557224174 /nfs/dbraw/zinc/22/41/74/557224174.db2.gz XBPVXFKBHCAWON-RXVVDRJESA-N 0 3 442.940 1.500 40 0 IDABHN O=S(=O)(c1ccccc1)N1C[C@@H](O)[C@](O)(CNCCSc2c[nH]c3ccccc23)C1 ZINC000585292142 557230418 /nfs/dbraw/zinc/23/04/18/557230418.db2.gz XBAOAYFZJUSONT-RTWAWAEBSA-N 0 3 447.582 1.646 40 0 IDABHN Cc1ccc(Cl)cc1N([C@H](C)C(=O)NCCCN1CCN(C)CC1)S(C)(=O)=O ZINC000022829894 557271220 /nfs/dbraw/zinc/27/12/20/557271220.db2.gz LUHFSLGBDLVPPT-MRXNPFEDSA-N 0 3 431.002 1.557 40 0 IDABHN Cc1ccc(C)n1-n1c(CCCN2CCN(C)CC2)nnc1CCCN1CCN(C)CC1 ZINC000225153315 557693024 /nfs/dbraw/zinc/69/30/24/557693024.db2.gz SAAAIWVMDRMNQT-UHFFFAOYSA-N 0 3 442.656 1.368 40 0 IDABHN Cc1cc(N2CC[C@@](O)(CN(C)Cc3ccc(OCCN4CCOCC4)cc3)C2)ncn1 ZINC000585271647 568616746 /nfs/dbraw/zinc/61/67/46/568616746.db2.gz GKALAPXXBNZOPU-XMMPIXPASA-N 0 3 441.576 1.569 40 0 IDABHN CCOc1cc(CN2CC[C@@](O)(CN3CCOCC3)C2)ccc1OCCN1CCOCC1 ZINC000585270880 568617711 /nfs/dbraw/zinc/61/77/11/568617711.db2.gz CAVGYPBLPWQSJB-XMMPIXPASA-N 0 3 449.592 1.065 40 0 IDABHN COCC(=O)N1CCN(CC2(O)CCCCC2)C[C@](O)(COc2cccc(F)c2F)C1 ZINC000585287639 568618981 /nfs/dbraw/zinc/61/89/81/568618981.db2.gz PUEBEROWOVICPC-JOCHJYFZSA-N 0 3 442.503 1.561 40 0 IDABHN Cc1nn(Cc2ccccc2)c(C)c1NC(=O)CN1CC[C@@](O)(CN2CCN(C)CC2)C1 ZINC000257204119 568667010 /nfs/dbraw/zinc/66/70/10/568667010.db2.gz ATCTXEOXVKGTIP-XMMPIXPASA-N 0 3 440.592 1.171 40 0 IDABHN CN1CCN(C(=O)C[C@H]2CN(C(=O)CN3CCCC3)CC[C@@H]2Oc2ccccc2)CC1 ZINC000257236654 568682209 /nfs/dbraw/zinc/68/22/09/568682209.db2.gz HDCLEVYRYSIVIR-UNMCSNQZSA-N 0 3 428.577 1.542 40 0 IDABHN CNc1cc(N2CCC[C@@](O)(CN(C)C(=O)c3cccc(OCCN(C)C)c3)C2)ncn1 ZINC000257328131 568723326 /nfs/dbraw/zinc/72/33/26/568723326.db2.gz XEHPRCPAJALFBE-HSZRJFAPSA-N 0 3 442.564 1.562 40 0 IDABHN Cc1nc(Cn2nc3n(c(=O)c2=O)CC[C@]32CCN(Cc3scnc3C)C2)cs1 ZINC000306124880 568763561 /nfs/dbraw/zinc/76/35/61/568763561.db2.gz CBGPOTYAAVWICK-IBGZPJMESA-N 0 3 430.559 1.531 40 0 IDABHN CN(C)CCNC(=O)[C@H]1CC[C@@H]2CN(Cc3cccnc3)S(=O)(=O)c3ccccc3N21 ZINC000306132878 568767305 /nfs/dbraw/zinc/76/73/05/568767305.db2.gz LVEIUBZZSWTZHG-UYAOXDASSA-N 0 3 443.573 1.301 40 0 IDABHN CCN(CC)CC(=O)N1CCO[C@@H](c2nc(N(C)C)ncc2-c2ccc(C(N)=O)cc2)C1 ZINC000019692634 569228061 /nfs/dbraw/zinc/22/80/61/569228061.db2.gz RAXLMMGTRBGTGZ-LJQANCHMSA-N 0 3 440.548 1.550 40 0 IDABHN CN(C)CC(=O)N1CCC[C@H](N2C(=O)NC3(CCN(Cc4ccccc4)CC3)C2=O)C1 ZINC000019699889 569230842 /nfs/dbraw/zinc/23/08/42/569230842.db2.gz YDGICRNGRWYLLN-IBGZPJMESA-N 0 3 427.549 1.126 40 0 IDABHN CCS(=O)(=O)N1CCC[C@@H](N2C(=O)NC3(CCN(CCc4ccccc4)CC3)C2=O)C1 ZINC000019699966 569231004 /nfs/dbraw/zinc/23/10/04/569231004.db2.gz UHOMVTSGLJRSLK-LJQANCHMSA-N 0 3 448.589 1.430 40 0 IDABHN CCS(=O)(=O)N1CCC(CN2C(=O)NC3(CCN(Cc4ccccc4)CC3)C2=O)CC1 ZINC000019700726 569231248 /nfs/dbraw/zinc/23/12/48/569231248.db2.gz GKUPYTPUUVVAQN-UHFFFAOYSA-N 0 3 448.589 1.635 40 0 IDABHN COCC(=O)N1CCC(CN2C(=O)NC3(CCN(Cc4ccccc4)CC3)C2=O)CC1 ZINC000019700720 569231262 /nfs/dbraw/zinc/23/12/62/569231262.db2.gz XGGSDZOTVYPTBM-UHFFFAOYSA-N 0 3 428.533 1.458 40 0 IDABHN COCCC(=O)N1CCC(CN2C(=O)NC3(CCN(Cc4ccccc4)CC3)C2=O)CC1 ZINC000019700722 569231266 /nfs/dbraw/zinc/23/12/66/569231266.db2.gz OQMRWZMBYFIWIA-UHFFFAOYSA-N 0 3 442.560 1.848 40 0 IDABHN CN(C)c1cc(CN(C)S(=O)(=O)c2ccc3c(c2)OCCO3)nc([C@H]2CCCN2)n1 ZINC000019760363 569237756 /nfs/dbraw/zinc/23/77/56/569237756.db2.gz UIJLEMZLNYAUBN-MRXNPFEDSA-N 0 3 433.534 1.559 40 0 IDABHN