smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccccc1CN1[C@@H]2CCC[C@H]1CC(NC(=O)c1ccccc1Cl)C2 ZINC000035290522 204152810 /nfs/dbraw/zinc/15/28/10/204152810.db2.gz AYDUUQGPJPCWSS-YQQQUEKLSA-N 0 3 398.934 4.664 40 0 GJABHN CCOc1cc(CNCCOC)ccc1OCc1ccc(Cl)cc1Cl ZINC000008254582 209160960 /nfs/dbraw/zinc/16/09/60/209160960.db2.gz DBHHECONLZCRGU-UHFFFAOYSA-N 0 3 384.303 4.707 40 0 GJABHN O=C(Nc1cc(Cl)cc(Cl)c1)[C@H]1CCCN(Cc2ccc(F)cc2)C1 ZINC000038835022 205038648 /nfs/dbraw/zinc/03/86/48/205038648.db2.gz OFBHPVSDSYDYFY-AWEZNQCLSA-N 0 3 381.278 4.983 40 0 GJABHN CC[C@H](NC(=O)c1ccc(CN2CCCCC2)cc1)c1ccc(OC)c(OC)c1 ZINC000044856863 205087484 /nfs/dbraw/zinc/08/74/84/205087484.db2.gz LTRAFLQKUNMKHI-NRFANRHFSA-N 0 3 396.531 4.571 40 0 GJABHN O[C@@H]1[C@H](NCc2ccccc2)CCC[C@H]1Nc1ccccc1Oc1ccccc1 ZINC000257208047 206159985 /nfs/dbraw/zinc/15/99/85/206159985.db2.gz BKLBBIQFKLOMLF-VDKIKQQVSA-N 0 3 388.511 4.963 40 0 GJABHN COc1ccc([C@H]2OCC[C@@]34C[C@@H](C[C@H]23)C(C)(C)[C@H]4O)cc1CN1CCCCC1 ZINC000257217223 206160644 /nfs/dbraw/zinc/16/06/44/206160644.db2.gz CYCQTUZBCVOCSP-HPUHJGTRSA-N 0 3 399.575 4.556 40 0 GJABHN CC(C)n1cnc2c1cc(C1CCN(Cc3ccco3)CC1)nc2N1CCCC1 ZINC000096099991 211302717 /nfs/dbraw/zinc/30/27/17/211302717.db2.gz JFFMDHSYCMWXFT-UHFFFAOYSA-N 0 3 393.535 4.585 40 0 GJABHN CC(C)n1cnc2c1cc(C1CCN(Cc3ccoc3)CC1)nc2N1CCCC1 ZINC000096099992 211301911 /nfs/dbraw/zinc/30/19/11/211301911.db2.gz CTIBSEXDESSTSG-UHFFFAOYSA-N 0 3 393.535 4.585 40 0 GJABHN Cc1ccc2occ(CN(CCCn3ccnc3)C[C@@H]3CC=CCC3)c(=O)c2c1 ZINC000019219769 524099726 /nfs/dbraw/zinc/09/97/26/524099726.db2.gz KAMYGRNFWDDCEJ-HXUWFJFHSA-N 0 3 391.515 4.547 40 0 GJABHN c1cc(-c2ccc(-c3noc([C@@H]4CCCN4C4CCCCC4)n3)cn2)ccn1 ZINC000049155478 560083883 /nfs/dbraw/zinc/08/38/83/560083883.db2.gz RIJJMRBBPUNKOA-FQEVSTJZSA-N 0 3 375.476 4.663 40 0 biogenic,in-vitro GJABHN CN(C)CCSCC(=O)N1c2ccccc2Sc2ccc(Cl)cc21 ZINC000001726174 570267616 /nfs/dbraw/zinc/26/76/16/570267616.db2.gz VBFAXXWSYVHNDV-UHFFFAOYSA-N 0 3 378.950 4.764 40 0 GJABHN CN(C(=O)OCc1ccccc1)[C@H](CN1CCCC1)c1c[nH]c2ccccc21 ZINC000002580973 570291279 /nfs/dbraw/zinc/29/12/79/570291279.db2.gz KYMMYXGQKBCPRR-JOCHJYFZSA-N 0 3 377.488 4.573 40 0 GJABHN COc1cccc(CNCCc2ccccc2F)c1OCc1ccc(F)cc1 ZINC000022074460 570304908 /nfs/dbraw/zinc/30/49/08/570304908.db2.gz MJAAVJFVGVBFGH-UHFFFAOYSA-N 0 3 383.438 4.885 40 0 GJABHN COc1ccccc1CN1[C@@H]2CCC[C@H]1CC(NC(=O)c1cccc(Cl)c1)C2 ZINC000004888143 570415797 /nfs/dbraw/zinc/41/57/97/570415797.db2.gz UMDZBEWZACIENJ-SEJPIABJSA-N 0 3 398.934 4.664 40 0 GJABHN CCN(CC)CCOC(=O)[C@@](O)(C1CCCCC1)[C@H]1CC[C@H](C)[C@H](C)[C@@H]1C ZINC000005047948 570425841 /nfs/dbraw/zinc/42/58/41/570425841.db2.gz DSDOVAAVIZFCDR-PEQWJCPASA-N 0 3 381.601 4.501 40 0 GJABHN Cc1cccc(CSCCNC(=O)C2CCN(Cc3cccc(C)c3)CC2)c1 ZINC000039750395 570447392 /nfs/dbraw/zinc/44/73/92/570447392.db2.gz XYYMQRACDLOQPE-UHFFFAOYSA-N 0 3 396.600 4.565 40 0 GJABHN Cc1ccc(CN2[C@@H]3CCC[C@H]2CC(NC(=O)c2ccccc2Cl)C3)cc1 ZINC000035290323 570456886 /nfs/dbraw/zinc/45/68/86/570456886.db2.gz HZPRGEINJCDXIX-IHWFROFDSA-N 0 3 382.935 4.964 40 0 GJABHN CC(C)(CO)NCc1cc(Br)ccc1OCc1ccccc1Cl ZINC000006883131 570498292 /nfs/dbraw/zinc/49/82/92/570498292.db2.gz NXZYRGDGXQFKLP-UHFFFAOYSA-N 0 3 398.728 4.542 40 0 GJABHN CC(C)Oc1cccc(NC(=O)[C@@H]2CCCN(Cc3ccccc3Cl)C2)c1 ZINC000030940310 570501494 /nfs/dbraw/zinc/50/14/94/570501494.db2.gz AHUZJSCLJCATHV-GOSISDBHSA-N 0 3 386.923 4.978 40 0 GJABHN COc1ccc(CNCc2ccc(OCc3ccccc3F)c(OC)c2)cc1 ZINC000007538348 570507424 /nfs/dbraw/zinc/50/74/24/570507424.db2.gz WZSDHKQDHOHMKK-UHFFFAOYSA-N 0 3 381.447 4.712 40 0 GJABHN CCOc1cc(CNC(C)(C)CO)ccc1OCc1ccc(Cl)cc1Cl ZINC000008254566 570526059 /nfs/dbraw/zinc/52/60/59/570526059.db2.gz KDZJTYBLMHLINP-UHFFFAOYSA-N 0 3 398.330 4.832 40 0 GJABHN CC[C@H](CO)NCc1cc(Br)ccc1OCc1ccccc1Cl ZINC000008337036 570528748 /nfs/dbraw/zinc/52/87/48/570528748.db2.gz LBZSWYDOLDHCDW-MRXNPFEDSA-N 0 3 398.728 4.542 40 0 GJABHN CC[C@H](Oc1ccc(C)c(C)c1)C(=O)NCc1ccccc1CN1CCCCC1 ZINC000224837234 570533389 /nfs/dbraw/zinc/53/33/89/570533389.db2.gz FCYRRCPHDBQUHF-DEOSSOPVSA-N 0 3 394.559 4.763 40 0 GJABHN O=C(Nc1ccc(N2CCCCC2)cc1)c1ccc(CN2CCCCC2)cc1 ZINC000224958028 570540014 /nfs/dbraw/zinc/54/00/14/570540014.db2.gz HXUSFOAAXGPATG-UHFFFAOYSA-N 0 3 377.532 4.915 40 0 GJABHN O=C(NCc1ccc(Cl)cc1)[C@@H]1CCCN(Cc2ccccc2Cl)C1 ZINC000038848585 570586973 /nfs/dbraw/zinc/58/69/73/570586973.db2.gz MWRQPCGCNXHADX-QGZVFWFLSA-N 0 3 377.315 4.522 40 0 GJABHN CCCCC[C@](C)(OC)C(=O)Nc1ccc(OCCN2CCC(C)CC2)cc1 ZINC000225622890 570595597 /nfs/dbraw/zinc/59/55/97/570595597.db2.gz BPMYAIRVNHQEGN-QHCPKHFHSA-N 0 3 390.568 4.721 40 0 GJABHN C[C@@H](O)CN(Cc1ccc2c(c1)OCO2)Cc1cccc(-c2cccc(F)c2)c1 ZINC000013991943 570868936 /nfs/dbraw/zinc/86/89/36/570868936.db2.gz IZIWBPAAHSPDMZ-QGZVFWFLSA-N 0 3 393.458 4.604 40 0 GJABHN Cc1ccc(CN2CC[C@@H]3[C@H](C2)[C@@H](c2ccsc2)CN3C(=O)C(C)(C)C)cc1 ZINC000019210325 570960515 /nfs/dbraw/zinc/96/05/15/570960515.db2.gz LLQNTDXASJLBID-YPAWHYETSA-N 0 3 396.600 4.919 40 0 GJABHN Cc1cccc(CN2CC[C@@H]3[C@H](C2)[C@@H](c2ccsc2)CN3C(=O)C(C)(C)C)c1 ZINC000019235049 570965461 /nfs/dbraw/zinc/96/54/61/570965461.db2.gz QEFKEMMGFCXPQK-YPAWHYETSA-N 0 3 396.600 4.919 40 0 GJABHN Cc1noc2nc([C@@H]3CCCN(Cc4cccc(F)c4)C3)cc(C(F)F)c12 ZINC000019564341 571006967 /nfs/dbraw/zinc/00/69/67/571006967.db2.gz ZMLZADDVPYSEKB-CQSZACIVSA-N 0 3 375.394 4.988 40 0 GJABHN CCc1cc(C(F)(F)F)c2c(n1)onc2C1CCN(Cc2ccncc2)CC1 ZINC000019522101 210254144 /nfs/dbraw/zinc/25/41/44/210254144.db2.gz XGHHFEWFSDXNAQ-UHFFFAOYSA-N 0 3 390.409 4.579 40 0 GJABHN Cc1cccc(CN2CCC(C(=O)Nc3ccccc3Br)CC2)c1 ZINC000039749177 230927964 /nfs/dbraw/zinc/92/79/64/230927964.db2.gz CJFFPPUMAMFWJX-UHFFFAOYSA-N 0 3 387.321 4.608 40 0 GJABHN O=C(Nc1ccc(Cc2ccncc2)cc1)c1ccc(CN2CCCCC2)cc1 ZINC000017447248 210209045 /nfs/dbraw/zinc/20/90/45/210209045.db2.gz LDZRRZVGAVOXFW-UHFFFAOYSA-N 0 3 385.511 4.911 40 0 GJABHN CC[C@H]1CN2CC[C@H]1C[C@@H]2CNC(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000008300476 291140780 /nfs/dbraw/zinc/14/07/80/291140780.db2.gz WMZGLBPNDYEISB-CMKODMSKSA-N 0 3 379.504 4.721 40 0 biogenic,in-vitro GJABHN CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)[C@H]1CN(C)CC[C@@H]1c1ccc(F)cc1 ZINC000257353592 212029324 /nfs/dbraw/zinc/02/93/24/212029324.db2.gz RZVKAWNUVBFUSF-CNPJFBIHSA-N 0 3 375.528 4.865 40 0 GJABHN Cc1cc(Nc2cccc(F)c2)cc([C@H]2CCN(C(=O)c3ccccc3)C2)n1 ZINC000257339049 212027542 /nfs/dbraw/zinc/02/75/42/212027542.db2.gz YZZRZTHGYVKHPT-SFHVURJKSA-N 0 3 375.447 4.902 40 0 GJABHN COc1ccc(CN2[C@@H]3CCC[C@H]2CC(NC(=O)Nc2ccccc2F)C3)cc1 ZINC000004887956 204086476 /nfs/dbraw/zinc/08/64/76/204086476.db2.gz SYUIHYHJOHTQHB-YQQQUEKLSA-N 0 3 397.494 4.542 40 0 GJABHN CCN(CC)CCOC(=O)[C@](O)(C1CCCCC1)[C@H]1CC[C@H](C)[C@H](C)[C@@H]1C ZINC000005047949 204107617 /nfs/dbraw/zinc/10/76/17/204107617.db2.gz DSDOVAAVIZFCDR-HSZRPETLSA-N 0 3 381.601 4.501 40 0 GJABHN Cc1[nH]c2ccccc2c1[C@@H](c1ccncc1)N1CCN(c2ccccc2)CC1 ZINC000005721549 204148870 /nfs/dbraw/zinc/14/88/70/204148870.db2.gz AYMDCNPLVAWAEY-RUZDIDTESA-N 0 3 382.511 4.783 40 0 GJABHN CCc1ncc(CN2CCC[C@H](c3cccc(-c4ccccc4F)n3)C2)cn1 ZINC000072350247 205331007 /nfs/dbraw/zinc/33/10/07/205331007.db2.gz XRHLSGNBKNKUIV-SFHVURJKSA-N 0 3 376.479 4.620 40 0 GJABHN Cc1ccc(-c2nnc(NC(=O)c3ccc(CN4CCCCC4)cc3)s2)cc1 ZINC000224571047 206023362 /nfs/dbraw/zinc/02/33/62/206023362.db2.gz RSFMKGXKGNKAKH-UHFFFAOYSA-N 0 3 392.528 4.752 40 0 GJABHN COc1cc2ccccc2cc1C(=O)NCc1ccccc1CN1CCCCC1 ZINC000224837969 206029915 /nfs/dbraw/zinc/02/99/15/206029915.db2.gz BUAZWQOMDWDNSJ-UHFFFAOYSA-N 0 3 388.511 4.764 40 0 GJABHN COc1cc(C)c(C(=O)Nc2ccc(OC3CCN(C)CC3)cc2)cc1C(C)C ZINC000225668380 206065648 /nfs/dbraw/zinc/06/56/48/206065648.db2.gz CUWBNILCVJTWSJ-UHFFFAOYSA-N 0 3 396.531 4.852 40 0 GJABHN O=C(Nc1nc2ccccc2n1CCN1CCCCC1)Nc1ccccc1Cl ZINC000032502517 206088357 /nfs/dbraw/zinc/08/83/57/206088357.db2.gz RXQBIHJZVREITK-UHFFFAOYSA-N 0 3 397.910 4.820 40 0 GJABHN O=C1N(Cc2ccccc2)c2ccccc2C12CCN(Cc1ccsc1)CC2 ZINC000096052527 211297155 /nfs/dbraw/zinc/29/71/55/211297155.db2.gz VYJBXBAGTMIPGI-UHFFFAOYSA-N 0 3 388.536 4.829 40 0 GJABHN CC(C)c1nccn1-c1cccc([C@@H]2CCCN(Cc3ccc(F)cc3)C2)n1 ZINC000072379079 211108028 /nfs/dbraw/zinc/10/80/28/211108028.db2.gz MZYSYGWIESMKIX-LJQANCHMSA-N 0 3 378.495 4.909 40 0 GJABHN O=C(Nc1ccc(N2CCCCC2)cc1)[C@@H]1CCCN(Cc2ccc(F)cc2)C1 ZINC000096627722 136187538 /nfs/dbraw/zinc/18/75/38/136187538.db2.gz CTXWOLKSSSAIKI-HXUWFJFHSA-N 0 3 395.522 4.667 40 0 GJABHN COc1cccc(CNCCc2ccccc2F)c1OCc1ccccc1F ZINC000022074457 570304873 /nfs/dbraw/zinc/30/48/73/570304873.db2.gz DTBFUWUZGCLHQV-UHFFFAOYSA-N 0 3 383.438 4.885 40 0 GJABHN CCOc1cc(CN[C@@H](C)[C@@H](O)c2ccccc2)ccc1OCc1cccs1 ZINC000022076357 570320835 /nfs/dbraw/zinc/32/08/35/570320835.db2.gz MTZMEPSUWXUKKI-GAJHUEQPSA-N 0 3 397.540 4.938 40 0 GJABHN CCOc1cc(CNC[C@@H](O)c2ccccc2)ccc1OCc1cccs1 ZINC000022076364 570320992 /nfs/dbraw/zinc/32/09/92/570320992.db2.gz PCJBQSFDISSIMS-HXUWFJFHSA-N 0 3 383.513 4.549 40 0 GJABHN C[C@@H](NCc1ccc(-c2ccc(Br)cc2)o1)[C@@H](O)c1ccccc1 ZINC000022076614 570321010 /nfs/dbraw/zinc/32/10/10/570321010.db2.gz VYQBNRUFRDRUFK-JLTOFOAXSA-N 0 3 386.289 4.921 40 0 GJABHN CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@@H](N5CCOCC5)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000118932762 570369092 /nfs/dbraw/zinc/36/90/92/570369092.db2.gz DSIXHBFXZSSULK-BFILXVKISA-N 0 3 387.608 4.935 40 0 GJABHN COc1ccc(CN2CCC(c3cc4nc(C(F)(F)F)ccc4[nH]3)CC2)cc1 ZINC000057774521 570373768 /nfs/dbraw/zinc/37/37/68/570373768.db2.gz RQNPRJFFMCZSCU-UHFFFAOYSA-N 0 3 389.421 4.970 40 0 GJABHN CCN(CC)CCOC(=O)C(OCCC(C)C)(c1ccccc1)c1ccccc1 ZINC000004430116 570375074 /nfs/dbraw/zinc/37/50/74/570375074.db2.gz BCOMAKKOGGODRQ-UHFFFAOYSA-N 0 3 397.559 4.878 40 0 GJABHN C[C@@H](NC(=O)[C@@H]1CCCN(Cc2ccccc2Cl)C1)c1ccc2c(c1)CCC2 ZINC000223242490 570452239 /nfs/dbraw/zinc/45/22/39/570452239.db2.gz APEXTNAXSUPPOK-VGOFRKELSA-N 0 3 396.962 4.918 40 0 GJABHN Cc1cc(C)c([C@@H](C)NC(=O)[C@@H]2CCCN(Cc3ccc(F)cc3)C2)cc1C ZINC000223487935 570468461 /nfs/dbraw/zinc/46/84/61/570468461.db2.gz SIRJPPKBGNFVKI-TZIWHRDSSA-N 0 3 382.523 4.840 40 0 GJABHN O=C(Nc1ccccc1Cl)N1CCN(CC23CC4CC(CC(C4)C2)C3)CC1 ZINC000006343738 570477425 /nfs/dbraw/zinc/47/74/25/570477425.db2.gz VAVNTQCSNRDRCB-UHFFFAOYSA-N 0 3 387.955 4.706 40 0 GJABHN CC[C@H](C)c1ccccc1OC[C@@H](O)CN1CCC(Cc2ccccc2)CC1 ZINC000006356060 570477811 /nfs/dbraw/zinc/47/78/11/570477811.db2.gz STEUGUDCLGDMGA-REWPJTCUSA-N 0 3 381.560 4.895 40 0 GJABHN Cc1cc(OCC2(O)CCN(Cc3ccc4[nH]ccc4c3)CC2)cc(C)c1Cl ZINC000257336067 570486924 /nfs/dbraw/zinc/48/69/24/570486924.db2.gz YNADLBRIDCIJCP-UHFFFAOYSA-N 0 3 398.934 4.844 40 0 GJABHN Clc1cccc(-n2c(SCCN3CCCCC3)nnc2-c2ccncc2)c1 ZINC000001223946 570565099 /nfs/dbraw/zinc/56/50/99/570565099.db2.gz WRQWBUZYKSZAGX-UHFFFAOYSA-N 0 3 399.951 4.561 40 0 GJABHN COc1ccc(CN2CCC[C@@H]2c2cccc(F)c2)cc1Cn1ccnc1C ZINC000036752956 570570229 /nfs/dbraw/zinc/57/02/29/570570229.db2.gz QKKVOJSJXZIHFN-JOCHJYFZSA-N 0 3 379.479 4.725 40 0 GJABHN CC1CCN(Cc2ccc(C(=O)NCCSCc3ccccc3)cc2)CC1 ZINC000038771348 570583256 /nfs/dbraw/zinc/58/32/56/570583256.db2.gz XRIFSUVASLQTAV-UHFFFAOYSA-N 0 3 382.573 4.582 40 0 GJABHN O=C(Nc1ccc(C(F)(F)F)cc1)[C@H]1CCCN(Cc2ccc(F)cc2)C1 ZINC000038860391 570589127 /nfs/dbraw/zinc/58/91/27/570589127.db2.gz OXPWPZHWLXTOPB-HNNXBMFYSA-N 0 3 380.385 4.695 40 0 GJABHN CC1CCN(Cc2ccc(C(=O)NCCCc3ccccc3Cl)cc2)CC1 ZINC000044906294 570641627 /nfs/dbraw/zinc/64/16/27/570641627.db2.gz UZJNXBKUKHHABL-UHFFFAOYSA-N 0 3 384.951 4.935 40 0 GJABHN Fc1ccc(NC(=S)NC2C[C@H]3CCC[C@@H](C2)N3Cc2cccs2)cc1 ZINC000004888067 570642519 /nfs/dbraw/zinc/64/25/19/570642519.db2.gz SBHWBLBEOKBHTA-AYHJJNSGSA-N 0 3 389.565 4.759 40 0 GJABHN CC(C)C[C@@H](NC(=O)C1CCN(Cc2ccc(F)cc2)CC1)c1ccccc1 ZINC000044936903 570644333 /nfs/dbraw/zinc/64/43/33/570644333.db2.gz VVRGCOJKJQKNOE-HSZRJFAPSA-N 0 3 382.523 4.941 40 0 GJABHN CCc1ccccc1NC(=O)CN1CCC(c2nc3ccc(Cl)cc3[nH]2)CC1 ZINC000005625541 570665508 /nfs/dbraw/zinc/66/55/08/570665508.db2.gz YAIVVWHZASCTTJ-UHFFFAOYSA-N 0 3 396.922 4.597 40 0 GJABHN COc1cc(CN2CCC[C@H](c3cc4cccnc4[nH]3)C2)ccc1OC(C)C ZINC000019450768 570985140 /nfs/dbraw/zinc/98/51/40/570985140.db2.gz XACCGWRZEZBWIL-IBGZPJMESA-N 0 3 379.504 4.738 40 0 GJABHN CCc1cc(C(F)(F)F)c2c(n1)onc2[C@H]1CCCN(Cc2cccnc2)C1 ZINC000019522020 570994957 /nfs/dbraw/zinc/99/49/57/570994957.db2.gz MTXQUXRIBWFQOP-AWEZNQCLSA-N 0 3 390.409 4.579 40 0 GJABHN O=C(c1ccc(Cl)cc1Cl)N1CCC(N2CCc3ccccc3C2)CC1 ZINC000408609083 231078245 /nfs/dbraw/zinc/07/82/45/231078245.db2.gz NVDMYEXESWFIGU-UHFFFAOYSA-N 0 3 389.326 4.656 40 0 GJABHN c1ccc(Nc2cncc(C3CCN(Cc4ccc5ncccc5c4)CC3)n2)nc1 ZINC000257319743 212024050 /nfs/dbraw/zinc/02/40/50/212024050.db2.gz VTXKQTCNGHOPAJ-UHFFFAOYSA-N 0 3 396.498 4.543 40 0 GJABHN CC[C@@H](C)c1ccccc1OC[C@H](O)CN1CCC(Cc2ccccc2)CC1 ZINC000006355902 204175461 /nfs/dbraw/zinc/17/54/61/204175461.db2.gz STEUGUDCLGDMGA-NFBKMPQASA-N 0 3 381.560 4.895 40 0 GJABHN CCOc1cc(CNC[C@H]2CCCO2)cc(Cl)c1OCc1ccccc1F ZINC000008254173 204267610 /nfs/dbraw/zinc/26/76/10/204267610.db2.gz KQNBPEYOFZGABN-QGZVFWFLSA-N 0 3 393.886 4.725 40 0 GJABHN COc1cccc2c1OC1(CCN(Cc3ccc(F)cc3)CC1)[C@H]1CCCO[C@H]21 ZINC000257266997 212014758 /nfs/dbraw/zinc/01/47/58/212014758.db2.gz MFLNYQJVZIWLOB-RBBKRZOGSA-N 0 3 397.490 4.729 40 0 GJABHN CNc1ncccc1CN1CCC[C@H](c2cccc(Cc3ccccc3F)n2)C1 ZINC000072350263 205330397 /nfs/dbraw/zinc/33/03/97/205330397.db2.gz HIDBSNPKYLCCFO-IBGZPJMESA-N 0 3 390.506 4.628 40 0 GJABHN CC(=O)Nc1ccc(CN2CCC[C@H]2c2cccc(Cc3ccccc3)n2)cc1 ZINC000072358107 205334279 /nfs/dbraw/zinc/33/42/79/205334279.db2.gz BHLVVDLWZGGNKP-VWLOTQADSA-N 0 3 385.511 4.968 40 0 GJABHN COc1ccc(CN2CCC[C@H](c3cncc(-c4cccc(OC)c4)n3)C2)cc1 ZINC000072359291 205334558 /nfs/dbraw/zinc/33/45/58/205334558.db2.gz GLKFDMGMXYOLFN-FQEVSTJZSA-N 0 3 389.499 4.540 40 0 GJABHN CN1CCC2(CC1)CN(Cc1ccc(C(F)(F)F)cc1)Cc1ccccc1O2 ZINC000072394178 205344166 /nfs/dbraw/zinc/34/41/66/205344166.db2.gz 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ZINC000257292146 206175423 /nfs/dbraw/zinc/17/54/23/206175423.db2.gz QKEUWDPGDAYMLI-UHFFFAOYSA-N 0 3 387.531 4.920 40 0 GJABHN CCCCC/C=C/C/C=C/C/C=C/C/C=C\CCCC(=O)OC[C@H](N)CO ZINC000299888274 206193821 /nfs/dbraw/zinc/19/38/21/206193821.db2.gz CKNOUMOYIGNOBN-MBIUSAQBSA-N 0 3 377.569 4.995 40 0 GJABHN COc1ccc(CN2CCC[C@H]2c2cccc(-n3ccnc3C(C)C)n2)cc1 ZINC000072379117 211108107 /nfs/dbraw/zinc/10/81/07/211108107.db2.gz NVAGRUPUFGKYMU-NRFANRHFSA-N 0 3 376.504 4.736 40 0 GJABHN COc1ccc(CN2CCC(c3cncc(-c4cccc(OC)c4)n3)CC2)cc1 ZINC000072359290 211100266 /nfs/dbraw/zinc/10/02/66/211100266.db2.gz YIEYFZORYHQDGG-UHFFFAOYSA-N 0 3 389.499 4.540 40 0 GJABHN COc1cccc(-c2nccnc2[C@H]2CCCN(Cc3ccc(F)cc3)C2)c1 ZINC000072358389 211098219 /nfs/dbraw/zinc/09/82/19/211098219.db2.gz ZQFYHGSCFLGARE-IBGZPJMESA-N 0 3 377.463 4.671 40 0 GJABHN Cc1nc(NC2CCCC2)cc(N2CCc3cc(OC(F)(F)F)ccc3C2)n1 ZINC000328975201 570210088 /nfs/dbraw/zinc/21/00/88/570210088.db2.gz FJTGXCQAUFEVJS-UHFFFAOYSA-N 0 3 392.425 4.601 40 0 GJABHN CCC[C@H]1CCN(Cc2ccc(N3CCCC3=O)cc2)C[C@H]1Nc1ccccc1 ZINC000585262241 570229661 /nfs/dbraw/zinc/22/96/61/570229661.db2.gz QWJBYQGNFUWMCT-XUZZJYLKSA-N 0 3 391.559 4.916 40 0 GJABHN COc1cc(CNC[C@H](O)c2ccccc2)ccc1OCc1cccc(Cl)c1 ZINC000022074794 570305011 /nfs/dbraw/zinc/30/50/11/570305011.db2.gz DIYXFRCDCQZPCT-NRFANRHFSA-N 0 3 397.902 4.751 40 0 GJABHN COc1cccc(CNC[C@H](O)c2ccccc2)c1OCc1ccc(Cl)cc1 ZINC000022075176 570305344 /nfs/dbraw/zinc/30/53/44/570305344.db2.gz NBTSOSDJMLMEDT-NRFANRHFSA-N 0 3 397.902 4.751 40 0 GJABHN CCOc1cc(CNCCOC)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000008253956 570525853 /nfs/dbraw/zinc/52/58/53/570525853.db2.gz NTCIXZTZHCJZNL-UHFFFAOYSA-N 0 3 384.303 4.707 40 0 GJABHN COc1cc(CNC[C@H]2CCCO2)ccc1OCc1c(Cl)cccc1Cl ZINC000008471300 570531980 /nfs/dbraw/zinc/53/19/80/570531980.db2.gz ISPNLVPQNVQXQW-OAHLLOKOSA-N 0 3 396.314 4.850 40 0 GJABHN CCc1ccc(CC)c(CNC(=O)[C@H]2CCCN(Cc3ccccc3Cl)C2)c1 ZINC000225350962 570566466 /nfs/dbraw/zinc/56/64/66/570566466.db2.gz UUNFKNQIGWJVDB-NRFANRHFSA-N 0 3 398.978 4.993 40 0 GJABHN CCOc1cc(CN2CCC(c3cc4cccnc4[nH]3)CC2)c(C)cc1OC ZINC000012133402 570614042 /nfs/dbraw/zinc/61/40/42/570614042.db2.gz RSPULGWHKQJKKY-UHFFFAOYSA-N 0 3 379.504 4.658 40 0 GJABHN O=C(Nc1ccc(F)cc1)NC1C[C@H]2CCC[C@@H](C1)N2Cc1ccc(F)cc1 ZINC000004887934 570642905 /nfs/dbraw/zinc/64/29/05/570642905.db2.gz LORWTYLDWLFQRZ-SEJPIABJSA-N 0 3 385.458 4.672 40 0 GJABHN CC(C)Oc1ccc(CCCNC(=O)c2ccc(CN3CCCCC3)cc2)cc1 ZINC000044916542 570642958 /nfs/dbraw/zinc/64/29/58/570642958.db2.gz RXLOANJKRBTAGI-UHFFFAOYSA-N 0 3 394.559 4.822 40 0 GJABHN COc1ccc(CN2CCC[C@@]3(CCC(=O)N3CC3CCCCC3)CC2)cc1 ZINC000585100677 570925390 /nfs/dbraw/zinc/92/53/90/570925390.db2.gz SJEZFLVRCRHDFY-XMMPIXPASA-N 0 3 384.564 4.623 40 0 GJABHN COc1cccc(CN2CCC[C@H]2c2nc(N(C)C)ncc2-c2ccccc2)c1 ZINC000019690429 571029079 /nfs/dbraw/zinc/02/90/79/571029079.db2.gz QQGORJYZGCDKAZ-QFIPXVFZSA-N 0 3 388.515 4.555 40 0 GJABHN OCCNCCOc1ccc(/C(=C(\Cl)c2ccccc2)c2ccccc2)cc1 ZINC000016957873 210199701 /nfs/dbraw/zinc/19/97/01/210199701.db2.gz OUGZFJVFHAPYBT-VHXPQNKSSA-N 0 3 393.914 4.803 40 0 GJABHN COc1ccc(CN2[C@@H]3CC[C@H]2CC(O)(c2cccc(F)c2)C3)cc1OC(C)C ZINC000012345632 209942897 /nfs/dbraw/zinc/94/28/97/209942897.db2.gz JSIMKAWAIIRDNQ-SVGJNIJCSA-N 0 3 399.506 4.636 40 0 GJABHN O[C@@H]1[C@H](NCc2ccccc2)CCC[C@H]1Nc1cccc(Oc2ccccc2)c1 ZINC000257315112 212023543 /nfs/dbraw/zinc/02/35/43/212023543.db2.gz UZYLETVQIVCQLA-UBFVSLLYSA-N 0 3 388.511 4.963 40 0 GJABHN CCOc1cc(CNC(C)(C)CO)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000008253940 204268207 /nfs/dbraw/zinc/26/82/07/204268207.db2.gz SIANWSBYQWENIA-UHFFFAOYSA-N 0 3 398.330 4.832 40 0 GJABHN COc1cccc(CNC[C@H]2CCCO2)c1OCc1ccc(Cl)cc1Cl ZINC000008495446 204278461 /nfs/dbraw/zinc/27/84/61/204278461.db2.gz CIMOAZBGGDRPAP-QGZVFWFLSA-N 0 3 396.314 4.850 40 0 GJABHN c1cnc2ccc(CN3CCC(c4cccc(Nc5cnccn5)n4)CC3)cc2c1 ZINC000257282240 212016294 /nfs/dbraw/zinc/01/62/94/212016294.db2.gz OSZJBWGTCHMPDK-UHFFFAOYSA-N 0 3 396.498 4.543 40 0 GJABHN O=C(Nc1cccc(C(F)(F)F)c1)[C@@H]1CCCN(Cc2ccc(F)cc2)C1 ZINC000038834711 205039527 /nfs/dbraw/zinc/03/95/27/205039527.db2.gz KJJBFAITBKZXBC-OAHLLOKOSA-N 0 3 380.385 4.695 40 0 GJABHN O=C(Nc1ccc(F)c(Cl)c1)[C@@H]1CCCN(Cc2ccccc2Cl)C1 ZINC000038853421 205039976 /nfs/dbraw/zinc/03/99/76/205039976.db2.gz QYAMKPCXNLZICQ-CQSZACIVSA-N 0 3 381.278 4.983 40 0 GJABHN Cc1ccccc1CN(CCCn1ccnc1)Cc1c[nH]nc1-c1ccccc1 ZINC000036740161 205021484 /nfs/dbraw/zinc/02/14/84/205021484.db2.gz NNTSSOPOLXZFAI-UHFFFAOYSA-N 0 3 385.515 4.674 40 0 GJABHN CN(C)Cc1cc(C[C@@H]2C[C@H](N(Cc3ccco3)Cc3ccco3)C2(C)C)no1 ZINC000072320752 205031167 /nfs/dbraw/zinc/03/11/67/205031167.db2.gz RLXZISMMKNIUJK-VGSWGCGISA-N 0 3 397.519 4.582 40 0 biogenic,in-vitro GJABHN CC[C@@H](NC(=O)[C@@H]1CCCN(Cc2ccc(F)cc2)C1)c1ccc(C)c(C)c1 ZINC000044856494 205087398 /nfs/dbraw/zinc/08/73/98/205087398.db2.gz KBHAMXYOIWBQCC-FYYLOGMGSA-N 0 3 382.523 4.922 40 0 GJABHN Fc1ccccc1CN1CC[C@@H](c2nc(-c3cccc(C(F)(F)F)c3)no2)C1 ZINC000072369950 205335511 /nfs/dbraw/zinc/33/55/11/205335511.db2.gz PBSNXZWMVKKREJ-OAHLLOKOSA-N 0 3 391.368 4.884 40 0 GJABHN Fc1cccc(CN2CC[C@@H](c3nc(-c4cccc(C(F)(F)F)c4)no3)C2)c1 ZINC000072369968 205336455 /nfs/dbraw/zinc/33/64/55/205336455.db2.gz HIILOTCVBLTGSW-OAHLLOKOSA-N 0 3 391.368 4.884 40 0 GJABHN CCCCCC(=O)OC[C@@H](O)[C@H](C)N(Cc1ccccc1)Cc1ccccc1 ZINC000026897176 206006457 /nfs/dbraw/zinc/00/64/57/206006457.db2.gz UEFOKZSZDQVRSZ-NZQKXSOJSA-N 0 3 383.532 4.562 40 0 GJABHN O=C(NCc1ccccc1CN1CCCCC1)c1ccc(N2CCCCC2)cc1 ZINC000224827473 206028535 /nfs/dbraw/zinc/02/85/35/206028535.db2.gz ULVBOOBDIHSRLM-UHFFFAOYSA-N 0 3 391.559 4.593 40 0 GJABHN CC(C)(Cc1ccccc1)NC(=O)[C@@H]1CCCN(Cc2ccccc2Cl)C1 ZINC000225817639 206079791 /nfs/dbraw/zinc/07/97/91/206079791.db2.gz PNCMNVKGGJHODW-HXUWFJFHSA-N 0 3 384.951 4.690 40 0 GJABHN Cc1cccc(CN2CCC[C@H](c3nc4ccc(-c5cccs5)cn4n3)C2)n1 ZINC000306132609 206201271 /nfs/dbraw/zinc/20/12/71/206201271.db2.gz LNSVMSVOKIEBJP-SFHVURJKSA-N 0 3 389.528 4.541 40 0 GJABHN O=C([C@H]1CCCN(Cc2ccccc2F)C1)N1CCC(Cc2ccccc2)CC1 ZINC000004745027 206214704 /nfs/dbraw/zinc/21/47/04/206214704.db2.gz WMWDKSUEACMBLJ-QHCPKHFHSA-N 0 3 394.534 4.519 40 0 GJABHN O=C(Nc1ccc(N2CCCC2)cc1)[C@H]1CCCN(Cc2ccccc2Cl)C1 ZINC000096627174 211345527 /nfs/dbraw/zinc/34/55/27/211345527.db2.gz QXZYMLJWVUIGTD-IBGZPJMESA-N 0 3 397.950 4.791 40 0 GJABHN Fc1ccc(CN2CCC(c3nc4ccc(-c5ccccc5)cn4n3)CC2)cc1 ZINC000096038175 211296968 /nfs/dbraw/zinc/29/69/68/211296968.db2.gz HIDLUSVLMYMDTL-UHFFFAOYSA-N 0 3 386.474 4.915 40 0 GJABHN O=C1CC[C@@]2(CCCN(Cc3ccc(F)cc3)CC2)N1Cc1cccc(F)c1 ZINC000096047552 211295959 /nfs/dbraw/zinc/29/59/59/211295959.db2.gz JDEGDTFOYAKVBX-HSZRJFAPSA-N 0 3 384.470 4.512 40 0 GJABHN CNc1ncccc1CN1CCC[C@@H](c2nccnc2-c2cccc(Cl)c2)C1 ZINC000072359132 211101539 /nfs/dbraw/zinc/10/15/39/211101539.db2.gz AQHCOTZDWIEHLV-QGZVFWFLSA-N 0 3 393.922 4.613 40 0 GJABHN CNc1ncccc1CN1CCC[C@@H](c2cncc(-c3cccc(Cl)c3)n2)C1 ZINC000072359812 211100639 /nfs/dbraw/zinc/10/06/39/211100639.db2.gz OZSZIHBJNKCKOO-QGZVFWFLSA-N 0 3 393.922 4.613 40 0 GJABHN Cc1c(CN2CCC[C@@H](c3cc(Cc4cccc(F)c4)cc(C)n3)C2)cnn1C ZINC000072353980 211099312 /nfs/dbraw/zinc/09/93/12/211099312.db2.gz AUEGDZMJTOTZPO-OAQYLSRUSA-N 0 3 392.522 4.541 40 0 GJABHN FC(F)(F)c1nc(C2(c3ccccc3)CCN(Cc3ccccc3)CC2)no1 ZINC000020522459 210344479 /nfs/dbraw/zinc/34/44/79/210344479.db2.gz XDNSQEBNWJTKPP-UHFFFAOYSA-N 0 3 387.405 4.671 40 0 GJABHN CCOC(=O)C1=C(C)NC(SCc2ccc(F)cc2)=N[C@H]1c1ccccc1 ZINC000408985960 528617826 /nfs/dbraw/zinc/61/78/26/528617826.db2.gz BNFTXNVSNAYZDA-IBGZPJMESA-N 0 3 384.476 4.597 40 0 GJABHN COc1cc(CNC[C@@H](O)c2ccccc2)ccc1OCc1ccc(Cl)cc1 ZINC000022075091 570305275 /nfs/dbraw/zinc/30/52/75/570305275.db2.gz GXZGYXXBIMFBTQ-OAQYLSRUSA-N 0 3 397.902 4.751 40 0 GJABHN CCOc1cccc(CN[C@H](C)[C@H](O)c2ccccc2)c1OCc1ccccc1 ZINC000022076889 570320910 /nfs/dbraw/zinc/32/09/10/570320910.db2.gz FIDVHXZAKYEHDZ-DVECYGJZSA-N 0 3 391.511 4.876 40 0 GJABHN CC(C)c1ccc(CCCNC(=O)C2CCN(Cc3ccccc3)CC2)cc1 ZINC000219404633 570358865 /nfs/dbraw/zinc/35/88/65/570358865.db2.gz CCTIXIUYYNGSDX-UHFFFAOYSA-N 0 3 378.560 4.771 40 0 GJABHN O=C(Nc1cccc2ccccc21)OCCCN1CCN(c2ccccc2)CC1 ZINC000004823079 570408842 /nfs/dbraw/zinc/40/88/42/570408842.db2.gz CMBPFITZIWYKHP-UHFFFAOYSA-N 0 3 389.499 4.601 40 0 GJABHN CCN(CC)CCOC(=O)[C@](O)(C1CCCCC1)[C@@H]1CC[C@H](C)[C@H](C)[C@@H]1C ZINC000005047947 570425834 /nfs/dbraw/zinc/42/58/34/570425834.db2.gz DSDOVAAVIZFCDR-ILZLQZNLSA-N 0 3 381.601 4.501 40 0 GJABHN COc1ccc(CNCc2ccc(OCc3ccc(F)cc3)c(OC)c2)cc1 ZINC000007538344 570507491 /nfs/dbraw/zinc/50/74/91/570507491.db2.gz CPZYQDSXCFXEOS-UHFFFAOYSA-N 0 3 381.447 4.712 40 0 GJABHN CCCCC[C@@](C)(OCCC)C(=O)Nc1ccc(OCCN2CCCC2)cc1 ZINC000225749528 570612947 /nfs/dbraw/zinc/61/29/47/570612947.db2.gz GOVDWUSYIDZFGH-HSZRJFAPSA-N 0 3 390.568 4.865 40 0 GJABHN O=C(Nc1ccc(N2CCCCC2)cc1)C1CCN(Cc2ccccc2)CC1 ZINC000047303050 570653771 /nfs/dbraw/zinc/65/37/71/570653771.db2.gz GCXNGFKZDYTSLF-UHFFFAOYSA-N 0 3 377.532 4.528 40 0 GJABHN CCc1ccc([C@@H](C)NC(=O)[C@H]2CCCN(Cc3ccccc3Cl)C2)cc1 ZINC000260759583 570703506 /nfs/dbraw/zinc/70/35/06/570703506.db2.gz BXCQTOJTKKQVJU-UTKZUKDTSA-N 0 3 384.951 4.992 40 0 GJABHN COc1ccc(CN2CCC[C@@]3(CCC(=O)N3Cc3ccc(C)cc3)CC2)cc1 ZINC000585100874 570928604 /nfs/dbraw/zinc/92/86/04/570928604.db2.gz ZWLJDNFTWKQLJH-RUZDIDTESA-N 0 3 392.543 4.551 40 0 GJABHN COc1ccc(CN2CCC[C@@H](c3cc(C(F)F)c4c(C)noc4n3)C2)cc1 ZINC000019564325 571006892 /nfs/dbraw/zinc/00/68/92/571006892.db2.gz LJDFZTNLTCQQAO-OAHLLOKOSA-N 0 3 387.430 4.857 40 0 GJABHN CCCCC/C=C/C/C=C/C/C=C\C/C=C/CCCC(=O)OC[C@H](N)CO ZINC000299888273 212040379 /nfs/dbraw/zinc/04/03/79/212040379.db2.gz CKNOUMOYIGNOBN-FHTDAKRTSA-N 0 3 377.569 4.995 40 0 GJABHN C[C@]12C[C@@H](c3cccc(C(F)(F)F)c3)N(CC3CC3)[C@H]1CCCCC(=O)N2 ZINC000257287972 212017733 /nfs/dbraw/zinc/01/77/33/212017733.db2.gz PSGMFHDQPWYKGT-BJLQDIEVSA-N 0 3 380.454 4.680 40 0 GJABHN COc1cc(CNC[C@H]2CCCO2)cc(Cl)c1OCc1ccccc1Cl ZINC000008470424 204277272 /nfs/dbraw/zinc/27/72/72/204277272.db2.gz JSYTWZFXTCOLIT-MRXNPFEDSA-N 0 3 396.314 4.850 40 0 GJABHN COc1ccc(Nc2cc(C)nc([C@@H]3CCN(C(=O)C4CCCC4)C3)c2)cc1 ZINC000257203297 212000867 /nfs/dbraw/zinc/00/08/67/212000867.db2.gz APKPCSZDOYEIMJ-GOSISDBHSA-N 0 3 379.504 4.648 40 0 GJABHN CCc1ccc(CC)c(CNC(=O)C2CCN(Cc3cccc(C)c3)CC2)c1 ZINC000223332077 211829420 /nfs/dbraw/zinc/82/94/20/211829420.db2.gz NKSZFOPBBCMBAL-UHFFFAOYSA-N 0 3 378.560 4.648 40 0 GJABHN CNc1ncccc1CN1CCC[C@H](c2cccc(-c3ccc(OC)cc3)n2)C1 ZINC000072350258 205330348 /nfs/dbraw/zinc/33/03/48/205330348.db2.gz RLAMCRBCSZSYID-IBGZPJMESA-N 0 3 388.515 4.574 40 0 GJABHN O=C(NCc1ccccc1CN1CCCCC1)C1(c2ccccc2)CCCC1 ZINC000224852162 206029724 /nfs/dbraw/zinc/02/97/24/206029724.db2.gz WPPBPHNXLLCINH-UHFFFAOYSA-N 0 3 376.544 4.801 40 0 GJABHN Cc1cccc(C2(C(=O)Nc3ccc(OCCN4CCCC4)cc3)CCCC2)c1 ZINC000225509556 206053542 /nfs/dbraw/zinc/05/35/42/206053542.db2.gz UZQHMCKFHAGDBL-UHFFFAOYSA-N 0 3 392.543 4.920 40 0 GJABHN Cc1nc(Cc2ccccc2)sc1C(=O)N1CCC[C@@]2(C)[C@@H]1CCCCN2C ZINC000257285827 206173954 /nfs/dbraw/zinc/17/39/54/206173954.db2.gz PJAOZKJXKJQJHM-CVDCTZTESA-N 0 3 397.588 4.521 40 0 GJABHN Cc1ccc(CN2CCC3(CC2)C(=O)N(CC2CC2)[C@@H]3c2ccccc2)s1 ZINC000096100271 211303044 /nfs/dbraw/zinc/30/30/44/211303044.db2.gz AKTWIBLGIBDTGQ-OAQYLSRUSA-N 0 3 380.557 4.632 40 0 GJABHN CCc1ncc(CN2CCC[C@@H](c3cccc(-c4ccccc4F)n3)C2)cn1 ZINC000072350248 211096353 /nfs/dbraw/zinc/09/63/53/211096353.db2.gz XRHLSGNBKNKUIV-GOSISDBHSA-N 0 3 376.479 4.620 40 0 GJABHN CCOc1cc(CN[C@H](C)[C@H](O)c2ccccc2)ccc1OCc1cccs1 ZINC000022076362 528283392 /nfs/dbraw/zinc/28/33/92/528283392.db2.gz MTZMEPSUWXUKKI-HXOBKFHXSA-N 0 3 397.540 4.938 40 0 GJABHN CCOC(=O)C1=C(C)NC(SCc2cccc(F)c2)=N[C@@H]1c1ccccc1 ZINC000408989113 528617560 /nfs/dbraw/zinc/61/75/60/528617560.db2.gz JXNZLYDTHIAZRQ-LJQANCHMSA-N 0 3 384.476 4.597 40 0 GJABHN Cc1cc(Nc2cc(-c3ccccc3)nc(NCCN(C)C)n2)ccc1C(C)C ZINC000329052523 570215291 /nfs/dbraw/zinc/21/52/91/570215291.db2.gz VBZNJHUYHOASGH-UHFFFAOYSA-N 0 3 389.547 4.714 40 0 GJABHN Cc1ccc(CSCCNC(=O)c2ccc(CN3CCC(C)CC3)cc2)cc1 ZINC000020108387 570240370 /nfs/dbraw/zinc/24/03/70/570240370.db2.gz AFGUABRJOMGHHK-UHFFFAOYSA-N 0 3 396.600 4.890 40 0 GJABHN CC(C)[NH+](CCOC(=O)c1cc(Cl)cc(-c2ccccc2)c1[O-])C(C)C ZINC000001683575 570267304 /nfs/dbraw/zinc/26/73/04/570267304.db2.gz YMESKIFTLSLBAH-UHFFFAOYSA-N 0 3 375.896 4.988 40 0 GJABHN Cc1cc(C)c(Nc2cc(-c3ccccc3)nc(NCCN(C)C)n2)c(C)c1 ZINC000242458609 570455855 /nfs/dbraw/zinc/45/58/55/570455855.db2.gz BPZPWAOOOFAGHK-UHFFFAOYSA-N 0 3 375.520 4.786 40 0 GJABHN CCc1cccc(C)c1Nc1cc(-c2ccccc2)nc(NCCN(C)C)n1 ZINC000244404560 570458404 /nfs/dbraw/zinc/45/84/04/570458404.db2.gz YMHGWAHOBLCAMR-UHFFFAOYSA-N 0 3 375.520 4.732 40 0 GJABHN CCOc1c(Br)cc(Br)cc1CNC1CCCC1 ZINC000008253302 570525773 /nfs/dbraw/zinc/52/57/73/570525773.db2.gz BXEMYMWQDWMKGE-UHFFFAOYSA-N 0 3 377.120 4.643 40 0 GJABHN CCCOC1(C(=O)Nc2ccc(OCCN3CCCCC3)cc2)CCCCC1 ZINC000225656980 570598949 /nfs/dbraw/zinc/59/89/49/570598949.db2.gz SMDWPNKLAPVMEO-UHFFFAOYSA-N 0 3 388.552 4.619 40 0 GJABHN C[C@H](CCc1ccccc1)NC(=O)[C@H]1CCCN(Cc2ccccc2Cl)C1 ZINC000030943683 570630417 /nfs/dbraw/zinc/63/04/17/570630417.db2.gz YOUPGUBFZYNQOW-NQIIRXRSSA-N 0 3 384.951 4.690 40 0 GJABHN CC[C@@H](NC(=O)c1ccc(CN2CCCCC2)cc1)c1ccc(OC)c(OC)c1 ZINC000044856864 570637249 /nfs/dbraw/zinc/63/72/49/570637249.db2.gz LTRAFLQKUNMKHI-OAQYLSRUSA-N 0 3 396.531 4.571 40 0 GJABHN COc1cccc(NC(=O)NC2C[C@H]3CCC[C@@H](C2)N3Cc2ccc(F)cc2)c1 ZINC000004883064 570642918 /nfs/dbraw/zinc/64/29/18/570642918.db2.gz UEMGPHWYXVNMON-SEJPIABJSA-N 0 3 397.494 4.542 40 0 GJABHN O=C(Nc1ccc(CN2CCCCC2)cc1)c1ncoc1-c1cccc(F)c1 ZINC000012338303 570645111 /nfs/dbraw/zinc/64/51/11/570645111.db2.gz HUAXJQISHFLYKA-UHFFFAOYSA-N 0 3 379.435 4.719 40 0 GJABHN COc1ccccc1C1(O)CCN(Cc2cn(C(C)C)c3ccccc23)CC1 ZINC000019454801 570986500 /nfs/dbraw/zinc/98/65/00/570986500.db2.gz TYRYGRROZFLIGU-UHFFFAOYSA-N 0 3 378.516 4.714 40 0 GJABHN COc1ccc(C2(NCc3cccc(Oc4ncccn4)c3)CCCC2)cc1 ZINC000019553799 571002543 /nfs/dbraw/zinc/00/25/43/571002543.db2.gz IGDTXIVCSHTTTQ-UHFFFAOYSA-N 0 3 375.472 4.837 40 0 GJABHN O=C1N(Cc2ccccc2)c2ccccc2C12CCN(Cc1cccs1)CC2 ZINC000096052525 571097621 /nfs/dbraw/zinc/09/76/21/571097621.db2.gz YGEFNSPGWMWVAK-UHFFFAOYSA-N 0 3 388.536 4.829 40 0 GJABHN COc1ccc(CN2CCC(c3cc(C(F)F)c4c(C)noc4n3)CC2)cc1 ZINC000019565028 210265439 /nfs/dbraw/zinc/26/54/39/210265439.db2.gz HCKUHMZSXCBSJR-UHFFFAOYSA-N 0 3 387.430 4.857 40 0 GJABHN CCCOc1c(CN2CCC[C@@H](c3cc4cccnc4[nH]3)C2)cccc1OC ZINC000019503802 210255355 /nfs/dbraw/zinc/25/53/55/210255355.db2.gz SDKFYORYJCSWFG-GOSISDBHSA-N 0 3 379.504 4.740 40 0 GJABHN CC(C)N1CC[C@H](c2cc3nc(-c4cccs4)cc(C(F)(F)F)n3n2)C1 ZINC000019447760 210248326 /nfs/dbraw/zinc/24/83/26/210248326.db2.gz BLUGUBRQZZPIEJ-LBPRGKRZSA-N 0 3 380.439 4.674 40 0 GJABHN OC1(c2ccccc2F)CCN(Cc2c3cccnc3[nH]c2C2CCCC2)CC1 ZINC000019347965 210243184 /nfs/dbraw/zinc/24/31/84/210243184.db2.gz VIUDPPZTPGHBDC-UHFFFAOYSA-N 0 3 393.506 4.843 40 0 GJABHN CN(C)CCNC(=O)c1cccc2ccc(-c3ccc(-c4ccccc4)cc3)nc21 ZINC000001613467 209334110 /nfs/dbraw/zinc/33/41/10/209334110.db2.gz PRFUPRUDNALXIZ-UHFFFAOYSA-N 0 3 395.506 4.860 40 0 GJABHN O=C(NCc1ccccc1Cl)[C@@H]1CCCN(Cc2ccccc2Cl)C1 ZINC000038857370 205041423 /nfs/dbraw/zinc/04/14/23/205041423.db2.gz NJSKAOXAGMFJME-QGZVFWFLSA-N 0 3 377.315 4.522 40 0 GJABHN Cc1ccc(CN2CCC(C(=O)NCCOc3ccccc3C(C)C)CC2)cc1 ZINC000223793278 206005492 /nfs/dbraw/zinc/00/54/92/206005492.db2.gz FAEBMKZEIOEWSP-UHFFFAOYSA-N 0 3 394.559 4.526 40 0 GJABHN CC1(C)Oc2ccccc2[C@H]2OCC3(CCN(Cc4cccnc4)CC3)C[C@@H]21 ZINC000257339971 206181771 /nfs/dbraw/zinc/18/17/71/206181771.db2.gz ZDYPMMMIRKRPHU-RBBKRZOGSA-N 0 3 378.516 4.613 40 0 GJABHN O=C(Nc1ccc(OC(F)(F)F)cc1)[C@@H]1CCCN(Cc2ccc(F)cc2)C1 ZINC000096627688 211345353 /nfs/dbraw/zinc/34/53/53/211345353.db2.gz WMNASJRPHONPBO-OAHLLOKOSA-N 0 3 396.384 4.575 40 0 GJABHN COc1ccc2c(c1Oc1ccccc1)[C@]13CCN(C)[C@H](C2)[C@@H]1[C@H](C)CC(=O)C3 ZINC000096316420 211333610 /nfs/dbraw/zinc/33/36/10/211333610.db2.gz HLKCYOOWMVLNED-VIPRWQQZSA-N 0 3 391.511 4.601 40 0 biogenic,in-vitro GJABHN FC(F)(F)c1cccc(-c2nccnc2[C@@H]2CCCN(Cc3ccncc3)C2)c1 ZINC000072358567 211099335 /nfs/dbraw/zinc/09/93/35/211099335.db2.gz RPSRVNYFBNQJNC-GOSISDBHSA-N 0 3 398.432 4.937 40 0 GJABHN COc1cccc(-c2nccnc2[C@@H]2CCCN(Cc3ccc(F)cc3)C2)c1 ZINC000072358388 211098730 /nfs/dbraw/zinc/09/87/30/211098730.db2.gz ZQFYHGSCFLGARE-LJQANCHMSA-N 0 3 377.463 4.671 40 0 GJABHN FC(F)(F)c1ccc(CN2CC[C@H](c3nnc(Cc4ccccc4)o3)C2)cc1 ZINC000049169867 560084651 /nfs/dbraw/zinc/08/46/51/560084651.db2.gz AMWFVWQZBKNUCV-KRWDZBQOSA-N 0 3 387.405 4.669 40 0 biogenic,in-vitro GJABHN COc1cc(CNC[C@@H](O)c2ccccc2)ccc1OCc1cccc(Cl)c1 ZINC000022074792 570304993 /nfs/dbraw/zinc/30/49/93/570304993.db2.gz DIYXFRCDCQZPCT-OAQYLSRUSA-N 0 3 397.902 4.751 40 0 GJABHN CCOc1cc(CNCCN(C)C)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000022075650 570305237 /nfs/dbraw/zinc/30/52/37/570305237.db2.gz HGFUMMAWXGPQTK-UHFFFAOYSA-N 0 3 397.346 4.622 40 0 GJABHN Cc1cc(C)n2nc(C3CCN(Cc4ccc(C(F)(F)F)cc4)CC3)cc2n1 ZINC000057740615 570369215 /nfs/dbraw/zinc/36/92/15/570369215.db2.gz LZWCXZJNVCTIDJ-UHFFFAOYSA-N 0 3 388.437 4.745 40 0 GJABHN O=C(Nc1cc(Cl)ccc1Cl)C1CCN(Cc2ccc(F)cc2)CC1 ZINC000039742366 570447075 /nfs/dbraw/zinc/44/70/75/570447075.db2.gz COLWSYWJFVFFST-UHFFFAOYSA-N 0 3 381.278 4.983 40 0 GJABHN Cc1cccc(CN2CCC(C(=O)NCCOc3ccccc3C(C)C)CC2)c1 ZINC000223793205 570484739 /nfs/dbraw/zinc/48/47/39/570484739.db2.gz IRHQJLQZOGLBCM-UHFFFAOYSA-N 0 3 394.559 4.526 40 0 GJABHN Cc1c(C)n(Cc2ccccc2)c2ccc(C(=O)OCCN3CCCCC3)cc12 ZINC000000848928 570494035 /nfs/dbraw/zinc/49/40/35/570494035.db2.gz KVTJJGDRQCUHGD-UHFFFAOYSA-N 0 3 390.527 4.949 40 0 GJABHN Cc1cccc(CN2CCC(C(=O)NCc3cccc(C(F)(F)F)c3)CC2)c1 ZINC000224544777 570517863 /nfs/dbraw/zinc/51/78/63/570517863.db2.gz DDIZCDIDMNQHOG-UHFFFAOYSA-N 0 3 390.449 4.542 40 0 GJABHN CCOc1cc(CN[C@@H](CC)CO)ccc1OCc1ccc(Cl)cc1Cl ZINC000008326359 570528289 /nfs/dbraw/zinc/52/82/89/570528289.db2.gz OGPIJKBOIYWCGW-KRWDZBQOSA-N 0 3 398.330 4.832 40 0 GJABHN Cc1cccc(CCCNC(=O)[C@H]2CCCN(Cc3ccccc3Cl)C2)c1 ZINC000044909622 570642195 /nfs/dbraw/zinc/64/21/95/570642195.db2.gz FMOFPIKYUKKZSJ-NRFANRHFSA-N 0 3 384.951 4.609 40 0 GJABHN O=C(N[C@H]1CCCc2ccccc21)[C@@H]1CCCN(Cc2ccccc2Cl)C1 ZINC000044932895 570643847 /nfs/dbraw/zinc/64/38/47/570643847.db2.gz FSDONOWWWAUSTK-KNQAVFIVSA-N 0 3 382.935 4.746 40 0 GJABHN Cc1ccc(NC(=O)CN2CCC(c3nc4ccc(Cl)cc4[nH]3)CC2)c(C)c1 ZINC000005625951 570665432 /nfs/dbraw/zinc/66/54/32/570665432.db2.gz PEOPKCAROQXTHB-UHFFFAOYSA-N 0 3 396.922 4.651 40 0 GJABHN Cc1cc(C)c([C@H](C)NC(=O)[C@H]2CCCN(Cc3ccc(F)cc3)C2)cc1C ZINC000260942960 570714917 /nfs/dbraw/zinc/71/49/17/570714917.db2.gz SIRJPPKBGNFVKI-FPOVZHCZSA-N 0 3 382.523 4.840 40 0 GJABHN Cc1ccc(CN2CCC(c3nc4ccc(Nc5ccccc5)cn4n3)CC2)o1 ZINC000096038320 571097321 /nfs/dbraw/zinc/09/73/21/571097321.db2.gz CJUJTHMGBHTKMW-UHFFFAOYSA-N 0 3 387.487 4.754 40 0 GJABHN Cc1noc2nc([C@@H]3CCCN(Cc4ccccc4F)C3)cc(C(F)F)c12 ZINC000019564364 210265644 /nfs/dbraw/zinc/26/56/44/210265644.db2.gz JFIFWYXGAFFOKU-CQSZACIVSA-N 0 3 375.394 4.988 40 0 GJABHN C[C@H](CN[C@@H](Cc1ccsc1)c1nccs1)Cc1ccc2c(c1)OCO2 ZINC000012220800 209922485 /nfs/dbraw/zinc/92/24/85/209922485.db2.gz MIJLLFWNPXKPLQ-YOEHRIQHSA-N 0 3 386.542 4.686 40 0 GJABHN CC(=O)NC1(c2ccc(F)cc2)CCN(Cc2c(C)oc3ccccc32)CC1 ZINC000012292745 204389654 /nfs/dbraw/zinc/38/96/54/204389654.db2.gz HMLDKCNTSGUIGR-UHFFFAOYSA-N 0 3 380.463 4.508 40 0 GJABHN COc1cc(CN2[C@@H]3CC[C@H]2CC(O)(c2ccccc2F)C3)ccc1OC(C)C ZINC000012345300 204398923 /nfs/dbraw/zinc/39/89/23/204398923.db2.gz ICXFAVTXFRSQJB-QRQCMCJISA-N 0 3 399.506 4.636 40 0 GJABHN CC[C@@H](NC(=O)C1CCN(Cc2ccc(C)cc2)CC1)c1ccc(OC)c(C)c1 ZINC000223339852 211828793 /nfs/dbraw/zinc/82/87/93/211828793.db2.gz HHAGVIREKUTBFH-HSZRJFAPSA-N 0 3 394.559 4.792 40 0 GJABHN Cc1cc(Nc2cnccn2)cc([C@H]2CCCN2Cc2ccc3ncccc3c2)n1 ZINC000072372577 205337296 /nfs/dbraw/zinc/33/72/96/205337296.db2.gz WKGRCOREEGVOIB-HSZRJFAPSA-N 0 3 396.498 4.809 40 0 GJABHN CC(C)c1nccn1-c1cncc([C@@H]2CCCN2CCCc2ccccc2)n1 ZINC000072378680 205339987 /nfs/dbraw/zinc/33/99/87/205339987.db2.gz DPKIEXXQRFZKAB-NRFANRHFSA-N 0 3 375.520 4.555 40 0 GJABHN O[C@@H]1[C@H](NCc2ccccc2)CCC[C@H]1Nc1ccccc1Cc1ccccc1 ZINC000257306770 206176258 /nfs/dbraw/zinc/17/62/58/206176258.db2.gz SVUWVATXXKVEAZ-TWJOJJKGSA-N 0 3 386.539 4.761 40 0 GJABHN C[C@H](NC[C@H](O)COCC(c1ccccc1)c1ccccc1)c1ccccc1 ZINC000040373196 206193932 /nfs/dbraw/zinc/19/39/32/206193932.db2.gz YXBCIFNYBRWTHM-RDPSFJRHSA-N 0 3 375.512 4.547 40 0 GJABHN O=C(Nc1ccc(OC(F)(F)F)cc1)[C@H]1CCCN(Cc2ccc(F)cc2)C1 ZINC000096627687 211344858 /nfs/dbraw/zinc/34/48/58/211344858.db2.gz WMNASJRPHONPBO-HNNXBMFYSA-N 0 3 396.384 4.575 40 0 GJABHN COc1ccc(C2(NCc3cc4ccccc4nc3N(C)C)CCCC2)cc1 ZINC000019584091 210270133 /nfs/dbraw/zinc/27/01/33/210270133.db2.gz QHUAIPLFKFSXIS-UHFFFAOYSA-N 0 3 375.516 4.869 40 0 GJABHN CCCCOc1ccc(C(=O)N2CCC[C@H](N3CCc4ccccc4C3)C2)cc1 ZINC000408609816 528660222 /nfs/dbraw/zinc/66/02/22/528660222.db2.gz OWWHEJWSKNROEL-QHCPKHFHSA-N 0 3 392.543 4.528 40 0 GJABHN C[C@@H](NC(=O)c1ccc(CN2CCc3ccccc3C2)cc1)c1ccc(F)cc1 ZINC000020460621 570260719 /nfs/dbraw/zinc/26/07/19/570260719.db2.gz ANFGHGUOUCGUAM-GOSISDBHSA-N 0 3 388.486 4.875 40 0 GJABHN COc1ccc(NC(=O)[C@@H]2CCCN(Cc3ccc(Cl)cc3)C2)cc1Cl ZINC000028220859 570452701 /nfs/dbraw/zinc/45/27/01/570452701.db2.gz WMTWELPEQYKZNJ-OAHLLOKOSA-N 0 3 393.314 4.853 40 0 GJABHN C[C@H](CCc1ccccc1)NC(=O)[C@@H]1CCCN(Cc2ccc(Cl)cc2)C1 ZINC000030943702 570501450 /nfs/dbraw/zinc/50/14/50/570501450.db2.gz UNWOBXVDRSACRZ-WIYYLYMNSA-N 0 3 384.951 4.690 40 0 GJABHN CCOc1cc(CN[C@H](CC)CO)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000008327030 570528639 /nfs/dbraw/zinc/52/86/39/570528639.db2.gz YUPJFZYTJHUIFS-QGZVFWFLSA-N 0 3 398.330 4.832 40 0 GJABHN C[C@H](CN[C@H](Cc1ccsc1)c1nccs1)Cc1ccc2c(c1)OCO2 ZINC000012220802 570627710 /nfs/dbraw/zinc/62/77/10/570627710.db2.gz MIJLLFWNPXKPLQ-WMLDXEAASA-N 0 3 386.542 4.686 40 0 GJABHN CC[C@@H](NC(=O)C1CCN(Cc2ccc(F)cc2)CC1)c1ccc(C)cc1C ZINC000044856686 570637233 /nfs/dbraw/zinc/63/72/33/570637233.db2.gz RXFMSNFIFSEEHE-HSZRJFAPSA-N 0 3 382.523 4.922 40 0 GJABHN Cc1cccc(NC(=S)NC2C[C@H]3CC[C@@H](C2)N3Cc2cccs2)c1C ZINC000004856929 570638335 /nfs/dbraw/zinc/63/83/35/570638335.db2.gz ZHKXBCYLMOLXPN-AYHJJNSGSA-N 0 3 385.602 4.847 40 0 GJABHN C[C@@H](O)CN(Cc1ccc(-c2ccc(F)cc2)cc1)Cc1ccc2c(c1)OCO2 ZINC000013991954 570868737 /nfs/dbraw/zinc/86/87/37/570868737.db2.gz YKNVHOYEWODJAT-QGZVFWFLSA-N 0 3 393.458 4.604 40 0 GJABHN Cn1c(SCc2ccccc2)nnc1[C@H]1CCCN(Cc2cccs2)C1 ZINC000019289301 570924738 /nfs/dbraw/zinc/92/47/38/570924738.db2.gz YDAJKGRVJMQIJE-KRWDZBQOSA-N 0 3 384.574 4.549 40 0 GJABHN COc1ccc(CN2CCC[C@]3(CCC(=O)N3CC3CCCCC3)CC2)cc1 ZINC000585100676 570925382 /nfs/dbraw/zinc/92/53/82/570925382.db2.gz SJEZFLVRCRHDFY-DEOSSOPVSA-N 0 3 384.564 4.623 40 0 GJABHN CC(C)(C)C(=O)N[C@@H](C[C@@H]1CCCCN1Cc1cccc(F)c1)c1ccccn1 ZINC000019081746 570956299 /nfs/dbraw/zinc/95/62/99/570956299.db2.gz KUKVZNFEICBDBJ-UNMCSNQZSA-N 0 3 397.538 4.869 40 0 GJABHN COc1ccccc1CN1CC[C@H](c2c3ccccc3sc2C(=O)N(C)C)C1 ZINC000585169362 570995652 /nfs/dbraw/zinc/99/56/52/570995652.db2.gz MVNMAYVOOWZVBN-KRWDZBQOSA-N 0 3 394.540 4.601 40 0 GJABHN CC(C)NC(=O)C[C@H]1CC2(CCN(Cc3ccsc3)CC2)Oc2ccccc21 ZINC000096053312 571097978 /nfs/dbraw/zinc/09/79/78/571097978.db2.gz YRJFWSKEAHMOAJ-IBGZPJMESA-N 0 3 398.572 4.564 40 0 GJABHN Cc1cc(C(F)(F)F)c2c(n1)onc2[C@H]1CCCN(Cc2cccs2)C1 ZINC000019568929 210265280 /nfs/dbraw/zinc/26/52/80/210265280.db2.gz VZPIWNOSGGDOGE-LBPRGKRZSA-N 0 3 381.423 4.991 40 0 GJABHN O=C(C1CCC1)N1C[C@@H](c2ccsc2)[C@@H]2CN(Cc3cccc(F)c3)CC[C@@H]21 ZINC000019293882 210240109 /nfs/dbraw/zinc/24/01/09/210240109.db2.gz XILVKIZEWJNBSS-FKBYEOEOSA-N 0 3 398.547 4.504 40 0 GJABHN Cc1ccc(CN(CCCn2ccnc2)Cc2ccc(-n3cccn3)cc2)s1 ZINC000019217153 210231289 /nfs/dbraw/zinc/23/12/89/210231289.db2.gz KSXOGGLCWYQAKY-UHFFFAOYSA-N 0 3 391.544 4.531 40 0 GJABHN CC(C)(C)C(=O)N1C[C@H](c2ccsc2)[C@H]2CN(Cc3ccccc3)CC[C@H]21 ZINC000019081646 210225600 /nfs/dbraw/zinc/22/56/00/210225600.db2.gz BECCGTGKKDDYOP-NJDAHSKKSA-N 0 3 382.573 4.611 40 0 GJABHN Cc1cc(C[C@@H]2CCC[C@H]2N(Cc2ccncc2)Cc2ccc(F)cc2)on1 ZINC000019120457 210224818 /nfs/dbraw/zinc/22/48/18/210224818.db2.gz OLLBRFMJMKJRHN-NZQKXSOJSA-N 0 3 379.479 4.931 40 0 GJABHN OCCNCCOc1ccc(/C(=C(/Cl)c2ccccc2)c2ccccc2)cc1 ZINC000001629220 209333489 /nfs/dbraw/zinc/33/34/89/209333489.db2.gz OUGZFJVFHAPYBT-WCWDXBQESA-N 0 3 393.914 4.803 40 0 GJABHN CN(C)CC(CN(C)C)C(=O)c1ccc(Oc2ccc(Cl)c(Cl)c2)cc1 ZINC000001607908 209333587 /nfs/dbraw/zinc/33/35/87/209333587.db2.gz SPVVRWWJROBYGB-UHFFFAOYSA-N 0 3 395.330 4.708 40 0 GJABHN C[C@@H](NC[C@@H](O)COCC(c1ccccc1)c1ccccc1)c1ccccc1 ZINC000040373205 212041248 /nfs/dbraw/zinc/04/12/48/212041248.db2.gz YXBCIFNYBRWTHM-HYBUGGRVSA-N 0 3 375.512 4.547 40 0 GJABHN Cc1cccc(C)c1NC(=O)CN1CCC(c2nc3ccc(Cl)cc3[nH]2)CC1 ZINC000035291768 204155959 /nfs/dbraw/zinc/15/59/59/204155959.db2.gz VYYURNCFQKFGCN-UHFFFAOYSA-N 0 3 396.922 4.651 40 0 GJABHN COc1cccc(CNCCc2ccc(F)cc2)c1OCc1ccc(F)cc1 ZINC000008495379 204278567 /nfs/dbraw/zinc/27/85/67/204278567.db2.gz UYUSFWGDSAYZRM-UHFFFAOYSA-N 0 3 383.438 4.885 40 0 GJABHN O[C@@H](CN1CCC(O)(c2ccc(F)cc2)CC1)c1ccc(-c2ccccc2)cc1 ZINC000012292151 204389904 /nfs/dbraw/zinc/38/99/04/204389904.db2.gz JFZDDZLIKOZMOM-DEOSSOPVSA-N 0 3 391.486 4.510 40 0 GJABHN CCOc1ccc([C@H](C)NC(=O)c2ccc(CN3CCC(C)CC3)cc2)cc1 ZINC000020485315 204720508 /nfs/dbraw/zinc/72/05/08/204720508.db2.gz OHWFUOUGBIUOSS-IBGZPJMESA-N 0 3 380.532 4.808 40 0 GJABHN COc1ccccc1CN(CCCn1ccnc1)Cc1ccnc2ccccc12 ZINC000036740340 205021643 /nfs/dbraw/zinc/02/16/43/205021643.db2.gz PLZVWFTWHXNZOW-UHFFFAOYSA-N 0 3 386.499 4.532 40 0 GJABHN CCc1ccc(O[C@H](CC)C(=O)Nc2ccc(OC3CCN(C)CC3)cc2)cc1 ZINC000222903688 211815102 /nfs/dbraw/zinc/81/51/02/211815102.db2.gz CIDWRMIUFJJAMA-HSZRJFAPSA-N 0 3 396.531 4.518 40 0 GJABHN CN(C)CCOc1ccc(NC(=O)C2(c3ccc(F)cc3)CCCCC2)cc1 ZINC000225547720 206057432 /nfs/dbraw/zinc/05/74/32/206057432.db2.gz NTKLWVFLBFDQAG-UHFFFAOYSA-N 0 3 384.495 4.607 40 0 GJABHN c1cnc(Nc2cccc(C3CCN(Cc4ccc5ncccc5c4)CC3)n2)nc1 ZINC000257308635 206177145 /nfs/dbraw/zinc/17/71/45/206177145.db2.gz TXMMVAPZUJBYHB-UHFFFAOYSA-N 0 3 396.498 4.543 40 0 GJABHN Clc1ccccc1CN1CCC(c2cccc(Nc3cnccn3)n2)CC1 ZINC000257242791 206165792 /nfs/dbraw/zinc/16/57/92/206165792.db2.gz IEDNBHZCHIITCE-UHFFFAOYSA-N 0 3 379.895 4.648 40 0 GJABHN CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)[C@H]1CN(C)CC[C@H]1c1ccc(F)cc1 ZINC000257353593 206182950 /nfs/dbraw/zinc/18/29/50/206182950.db2.gz RZVKAWNUVBFUSF-QAGBHRCTSA-N 0 3 375.528 4.865 40 0 GJABHN COc1cc(N)c([C@H]2N[C@@H](C)Cc3c4cc(F)c(Cl)cc4[nH]c32)cc1Cl ZINC000261508974 206184837 /nfs/dbraw/zinc/18/48/37/206184837.db2.gz YSJVBYYUXMVASZ-WPCRTTGESA-N 0 3 394.277 4.828 40 0 GJABHN COc1ccccc1CNCCc1cc(OC)c(SC(C)C)cc1OC ZINC000299817094 206194249 /nfs/dbraw/zinc/19/42/49/206194249.db2.gz BOWHVFJVXBVJCU-UHFFFAOYSA-N 0 3 375.534 4.545 40 0 in-vitro GJABHN Cc1ccc(CN2CCC3(CC2)c2ccccc2N(Cc2ccccc2)C3=O)o1 ZINC000096052530 211296129 /nfs/dbraw/zinc/29/61/29/211296129.db2.gz IDIMVKISMPKCOH-UHFFFAOYSA-N 0 3 386.495 4.669 40 0 GJABHN c1cnc2cccc(CN3CCC[C@@H]3c3cccc(Nc4cnccn4)n3)c2c1 ZINC000072375737 211105667 /nfs/dbraw/zinc/10/56/67/211105667.db2.gz QZDNQPUFOIBCQA-OAQYLSRUSA-N 0 3 382.471 4.501 40 0 GJABHN O=C(Nc1ccccc1C(=O)c1ccccc1)C1CCN(Cc2ccccc2)CC1 ZINC000044915816 210816492 /nfs/dbraw/zinc/81/64/92/210816492.db2.gz ZWNOMNFMPNEACR-UHFFFAOYSA-N 0 3 398.506 4.768 40 0 GJABHN COc1cccc(CNC[C@H](O)c2ccccc2)c1OCc1ccccc1Cl ZINC000022075186 570305147 /nfs/dbraw/zinc/30/51/47/570305147.db2.gz DQEBJIYNLNSJBQ-NRFANRHFSA-N 0 3 397.902 4.751 40 0 GJABHN O=C(Nc1ccccc1)N1C[C@@H]2CN(CC(c3ccccc3)c3ccccc3)[C@@H]2C1 ZINC000107249619 570309006 /nfs/dbraw/zinc/30/90/06/570309006.db2.gz VGBVRAUDLWKVSQ-WIOPSUGQSA-N 0 3 397.522 4.667 40 0 GJABHN COc1cccc([C@H](CNCc2ccco2)c2c[nH]c3ccccc32)c1OC ZINC000023935287 570339483 /nfs/dbraw/zinc/33/94/83/570339483.db2.gz GKZYPMOVYWZZEE-IBGZPJMESA-N 0 3 376.456 4.700 40 0 GJABHN CC(C)c1ccc(CCCNC(=O)C2CCN(Cc3ccc(F)cc3)CC2)cc1 ZINC000219426717 570360083 /nfs/dbraw/zinc/36/00/83/570360083.db2.gz VEDHMPGHEHBOQF-UHFFFAOYSA-N 0 3 396.550 4.910 40 0 GJABHN CC[C@@H](NC(=O)C1CCN(Cc2cccc(C)c2)CC1)c1ccc(OC)c(C)c1 ZINC000222616033 570416976 /nfs/dbraw/zinc/41/69/76/570416976.db2.gz VJRZCFVKWQFQGR-HSZRJFAPSA-N 0 3 394.559 4.792 40 0 GJABHN CCc1ccc(O[C@@H](CC)C(=O)Nc2ccc(OC3CCN(C)CC3)cc2)cc1 ZINC000222903631 570430729 /nfs/dbraw/zinc/43/07/29/570430729.db2.gz CIDWRMIUFJJAMA-QHCPKHFHSA-N 0 3 396.531 4.518 40 0 GJABHN O=C(NCc1ccc(Cl)cc1Cl)C1CCN(Cc2ccc(F)cc2)CC1 ZINC000039757412 570448696 /nfs/dbraw/zinc/44/86/96/570448696.db2.gz VKIIYHHBMHZHGD-UHFFFAOYSA-N 0 3 395.305 4.661 40 0 GJABHN COc1ccc(CN2[C@@H]3CCC[C@H]2CC(NC(=S)Nc2ccccc2)C3)cc1 ZINC000035289479 570454667 /nfs/dbraw/zinc/45/46/67/570454667.db2.gz JPAWITYARRVPMB-SEJPIABJSA-N 0 3 395.572 4.567 40 0 GJABHN Cc1cc(C)c([C@H](C)NC(=O)C2CCN(Cc3ccc(F)cc3)CC2)cc1C ZINC000223471265 570467902 /nfs/dbraw/zinc/46/79/02/570467902.db2.gz QOMAQQCHUAVEJC-IBGZPJMESA-N 0 3 382.523 4.840 40 0 GJABHN Cc1cc(C)c([C@H](C)NC(=O)[C@@H]2CCCN(Cc3ccc(F)cc3)C2)cc1C ZINC000223488001 570468167 /nfs/dbraw/zinc/46/81/67/570468167.db2.gz SIRJPPKBGNFVKI-PZJWPPBQSA-N 0 3 382.523 4.840 40 0 GJABHN Cc1cc(OC[C@]2(O)CCCN(Cc3ccc4[nH]ccc4c3)C2)cc(C)c1Cl ZINC000257219581 570487248 /nfs/dbraw/zinc/48/72/48/570487248.db2.gz DHHXERCDPWTJRH-QHCPKHFHSA-N 0 3 398.934 4.844 40 0 GJABHN CCOc1cc(CN[C@H](CC)CO)cc(Cl)c1OCc1ccccc1Cl ZINC000008327040 570528651 /nfs/dbraw/zinc/52/86/51/570528651.db2.gz RMTAQUJKUYAEJV-MRXNPFEDSA-N 0 3 398.330 4.832 40 0 GJABHN CCCC[C@@](C)(OCCC)C(=O)Nc1ccc(OCCN2CCCCC2)cc1 ZINC000225744867 570612453 /nfs/dbraw/zinc/61/24/53/570612453.db2.gz BLCGXQAOZYSLNA-HSZRJFAPSA-N 0 3 390.568 4.865 40 0 GJABHN COc1ccc(CN(CCCn2ccnc2)Cc2ccccc2F)c(C)c1C ZINC000043277851 570627095 /nfs/dbraw/zinc/62/70/95/570627095.db2.gz QOIQEWWWSSAGGN-UHFFFAOYSA-N 0 3 381.495 4.740 40 0 GJABHN O=C(Nc1ccc2sncc2c1)[C@H]1CCCN(Cc2ccc(Cl)cc2)C1 ZINC000225904055 570632221 /nfs/dbraw/zinc/63/22/21/570632221.db2.gz KODFZMPXQBGUFM-HNNXBMFYSA-N 0 3 385.920 4.800 40 0 GJABHN CC[C@H](NC(=O)C1CCN(Cc2ccc(F)cc2)CC1)c1ccc(C)c(C)c1 ZINC000044856527 570637223 /nfs/dbraw/zinc/63/72/23/570637223.db2.gz OYOCOOILGLZYNY-QHCPKHFHSA-N 0 3 382.523 4.922 40 0 GJABHN CC(C)Oc1cccc(CNC(=O)c2ccc(CN3CCC(C)CC3)cc2)c1 ZINC000044882681 570638562 /nfs/dbraw/zinc/63/85/62/570638562.db2.gz YSMVTCUCWMIPFS-UHFFFAOYSA-N 0 3 380.532 4.636 40 0 GJABHN Cc1nc(C)c(CN2CCC[C@]3(CCC(=O)N3CC3CCCCC3)CC2)s1 ZINC000585100595 570924897 /nfs/dbraw/zinc/92/48/97/570924897.db2.gz OZFAVUAHRUVFPS-QFIPXVFZSA-N 0 3 389.609 4.687 40 0 GJABHN Cc1nc(C)c(CN2CCC[C@@]3(CCC(=O)N3Cc3ccc(C)cc3)CC2)s1 ZINC000585100734 570925293 /nfs/dbraw/zinc/92/52/93/570925293.db2.gz UYFFINDMWBNBDM-HSZRJFAPSA-N 0 3 397.588 4.616 40 0 GJABHN O=C(CSc1ccc(Cl)cc1)NCc1ccccc1CN1CCCCC1 ZINC000016781336 570933391 /nfs/dbraw/zinc/93/33/91/570933391.db2.gz LNJDYDVVBMRFNK-UHFFFAOYSA-N 0 3 388.964 4.734 40 0 GJABHN Cc1cccc(CN2CC[C@H]3[C@@H](C2)[C@H](c2ccsc2)CN3C(=O)C2CCC2)c1 ZINC000019235063 570965637 /nfs/dbraw/zinc/96/56/37/570965637.db2.gz ANOMVNABOWKRNH-VABKMULXSA-N 0 3 394.584 4.673 40 0 GJABHN Cc1cc(-c2ccc(N)nc2)cc([C@@H]2CCCN2Cc2ccnc3ccccc23)n1 ZINC000019691037 571029250 /nfs/dbraw/zinc/02/92/50/571029250.db2.gz JCEPYWVKCAIMCG-DEOSSOPVSA-N 0 3 395.510 4.920 40 0 GJABHN CCN(CC)C(=O)C[C@@H]1CC2(CCN(Cc3ccco3)CC2)c2ccccc21 ZINC000096053025 571097613 /nfs/dbraw/zinc/09/76/13/571097613.db2.gz CYXJDTYMBNHJDS-LJQANCHMSA-N 0 3 380.532 4.559 40 0 GJABHN COc1ccc(CN2[C@@H]3CC[C@H]2CC(O)(c2ccc(F)cc2)C3)cc1OC(C)C ZINC000019450478 210249206 /nfs/dbraw/zinc/24/92/06/210249206.db2.gz PVIUSBYZGPPVIH-SVGJNIJCSA-N 0 3 399.506 4.636 40 0 GJABHN COc1ccc(CN2[C@@H]3CC[C@H]2CC(O)(c2ccccc2F)C3)cc1OC(C)C ZINC000012345621 204398492 /nfs/dbraw/zinc/39/84/92/204398492.db2.gz AXKHCVZFKKORAV-QRQCMCJISA-N 0 3 399.506 4.636 40 0 GJABHN O=C(N[C@H](c1ccccn1)[C@@H]1CCCN(Cc2cccc(Cl)c2)C1)C1CCC1 ZINC000072330596 205326789 /nfs/dbraw/zinc/32/67/89/205326789.db2.gz YJEJBOYWILOFSN-KNQAVFIVSA-N 0 3 397.950 4.605 40 0 GJABHN FC(F)(F)c1cccc(-c2cncc([C@@H]3CCCN(Cc4ccncc4)C3)n2)c1 ZINC000072359401 205334487 /nfs/dbraw/zinc/33/44/87/205334487.db2.gz QFFMXPQCCWEANL-GOSISDBHSA-N 0 3 398.432 4.937 40 0 GJABHN c1coc(CN[C@@H]2CC3(CCN(Cc4ccco4)CC3)Oc3ccccc32)c1 ZINC000096242823 205547990 /nfs/dbraw/zinc/54/79/90/205547990.db2.gz AQGGQVJZOPFASF-OAQYLSRUSA-N 0 3 378.472 4.521 40 0 GJABHN Cn1cc(-c2ccc([C@H]3CCCCN3Cc3ccnc4ccccc34)cn2)cn1 ZINC000257207092 206159788 /nfs/dbraw/zinc/15/97/88/206159788.db2.gz BGHBNJOQLQIAIC-XMMPIXPASA-N 0 3 383.499 4.758 40 0 GJABHN Cc1ccc(CN2CCC3(CC2)C(=O)N(CC2CC2)[C@H]3c2ccccc2)s1 ZINC000096100270 211301815 /nfs/dbraw/zinc/30/18/15/211301815.db2.gz AKTWIBLGIBDTGQ-NRFANRHFSA-N 0 3 380.557 4.632 40 0 GJABHN COc1ccc(CN2CCC[C@H](c3nccnc3-c3cccc(OC)c3)C2)cc1 ZINC000072358400 211099113 /nfs/dbraw/zinc/09/91/13/211099113.db2.gz PZWVZKBUOJUFJV-FQEVSTJZSA-N 0 3 389.499 4.540 40 0 GJABHN COc1ccccc1-c1nccnc1[C@@H]1CCCN(Cc2ccc(F)cc2)C1 ZINC000072358386 211098246 /nfs/dbraw/zinc/09/82/46/211098246.db2.gz WVPDJPDOEZMFIH-GOSISDBHSA-N 0 3 377.463 4.671 40 0 GJABHN CCc1ncc(CN2CCC[C@@H](c3cccc(-c4cccc(F)c4)n3)C2)cn1 ZINC000072350250 211097298 /nfs/dbraw/zinc/09/72/98/211097298.db2.gz UNBZRYQPBGWDAL-LJQANCHMSA-N 0 3 376.479 4.620 40 0 GJABHN CN(C)CCOc1ccc([C@H](c2ccccc2)[C@H](CCO)c2ccccc2)cc1 ZINC000071625202 211050826 /nfs/dbraw/zinc/05/08/26/211050826.db2.gz LSBUBGBAISEBHG-FTJBHMTQSA-N 0 3 389.539 4.925 40 0 GJABHN COc1ccc2c(c1Oc1ccccc1)[C@@]13CCN(C)[C@@H](C2)[C@H]1[C@@H](C)CC(=O)C3 ZINC000253504565 560037801 /nfs/dbraw/zinc/03/78/01/560037801.db2.gz HLKCYOOWMVLNED-AJUULYEXSA-N 0 3 391.511 4.601 40 0 biogenic,in-vitro GJABHN COc1ccc(OC)c([C@H]2[C@H]3CCCC[C@@]3(O)CCN2Cc2ccc(C)cc2)c1 ZINC000005185762 570250319 /nfs/dbraw/zinc/25/03/19/570250319.db2.gz VBYFJVGKRCTMDW-PZUNEJSGSA-N 0 3 395.543 4.881 40 0 GJABHN CCOc1cc(CNCCN(C)C)ccc1OCc1ccc(Cl)cc1Cl ZINC000022075391 570305382 /nfs/dbraw/zinc/30/53/82/570305382.db2.gz MKFHRHJZNOLRHQ-UHFFFAOYSA-N 0 3 397.346 4.622 40 0 GJABHN C[C@@H](NCc1ccc(-c2ccc(Br)cc2)o1)[C@H](O)c1ccccc1 ZINC000022076617 570320715 /nfs/dbraw/zinc/32/07/15/570320715.db2.gz VYQBNRUFRDRUFK-VLIAUNLRSA-N 0 3 386.289 4.921 40 0 GJABHN COc1cccc([C@@H](CNCc2ccco2)c2c[nH]c3ccccc32)c1OC ZINC000023935283 570339515 /nfs/dbraw/zinc/33/95/15/570339515.db2.gz GKZYPMOVYWZZEE-LJQANCHMSA-N 0 3 376.456 4.700 40 0 GJABHN Cc1ccc(CN2CCC(C(=O)N[C@@H](C)c3ccc4c(c3)CCC4)CC2)cc1 ZINC000223224090 570451068 /nfs/dbraw/zinc/45/10/68/570451068.db2.gz MEFGYOBTHRPWEC-IBGZPJMESA-N 0 3 376.544 4.573 40 0 GJABHN CC[C@H](NC(=O)C1CCN(Cc2ccc(C)cc2)CC1)c1ccc(OC)c(C)c1 ZINC000223339922 570459980 /nfs/dbraw/zinc/45/99/80/570459980.db2.gz HHAGVIREKUTBFH-QHCPKHFHSA-N 0 3 394.559 4.792 40 0 GJABHN COc1cc(CNC[C@@H]2CCCO2)ccc1OCc1c(Cl)cccc1Cl ZINC000008471295 570532088 /nfs/dbraw/zinc/53/20/88/570532088.db2.gz ISPNLVPQNVQXQW-HNNXBMFYSA-N 0 3 396.314 4.850 40 0 GJABHN Cc1cc(NCCNC(=S)Nc2ccc3sncc3c2)c2ccccc2n1 ZINC000225214550 570557095 /nfs/dbraw/zinc/55/70/95/570557095.db2.gz SCPXNODRYZPFGP-UHFFFAOYSA-N 0 3 393.541 4.551 40 0 GJABHN COc1cc(C)c(CN(CCCn2ccnc2)Cc2ccccc2F)cc1C ZINC000036740379 570568716 /nfs/dbraw/zinc/56/87/16/570568716.db2.gz FNHCNRYAWCNYHY-UHFFFAOYSA-N 0 3 381.495 4.740 40 0 GJABHN CC1CCN(Cc2ccc(C(=O)Nc3ccccc3Br)cc2)CC1 ZINC000038834918 570586335 /nfs/dbraw/zinc/58/63/35/570586335.db2.gz DUJQEYFKQDVOQJ-UHFFFAOYSA-N 0 3 387.321 4.933 40 0 GJABHN O=C(NCc1ccc(Cl)cc1Cl)[C@H]1CCCN(Cc2ccc(F)cc2)C1 ZINC000038848661 570587198 /nfs/dbraw/zinc/58/71/98/570587198.db2.gz YLCOPMBCKHQKBV-INIZCTEOSA-N 0 3 395.305 4.661 40 0 GJABHN COc1ccc(C(C)(C)C)cc1CN1C[C@H]2CCC[C@@H](C1)C2(O)c1ccccn1 ZINC000012135122 570614124 /nfs/dbraw/zinc/61/41/24/570614124.db2.gz JZIZAFMPKVRZTL-KEVCNVLYSA-N 0 3 394.559 4.507 40 0 GJABHN C[C@@H](CCc1ccccc1)NC(=O)[C@H]1CCCN(Cc2ccccc2Cl)C1 ZINC000030943680 570630438 /nfs/dbraw/zinc/63/04/38/570630438.db2.gz YOUPGUBFZYNQOW-RXVVDRJESA-N 0 3 384.951 4.690 40 0 GJABHN COc1ccc([C@H](CC(C)C)NC(=O)C2CCN(Cc3ccccc3)CC2)cc1 ZINC000044937229 570644431 /nfs/dbraw/zinc/64/44/31/570644431.db2.gz NNSCVDGDCZOQCU-DEOSSOPVSA-N 0 3 394.559 4.811 40 0 GJABHN C[C@H](O)CN(Cc1ccc(-c2ccc(F)cc2)cc1)Cc1ccc2c(c1)OCO2 ZINC000013991957 570868998 /nfs/dbraw/zinc/86/89/98/570868998.db2.gz YKNVHOYEWODJAT-KRWDZBQOSA-N 0 3 393.458 4.604 40 0 GJABHN COc1cc(CN2CCC[C@@H](c3cc4cccnc4[nH]3)C2)ccc1OC(C)C ZINC000019450766 570985134 /nfs/dbraw/zinc/98/51/34/570985134.db2.gz XACCGWRZEZBWIL-LJQANCHMSA-N 0 3 379.504 4.738 40 0 GJABHN Cc1noc2nc([C@H]3CCCN(Cc4ccc(F)cc4)C3)cc(C(F)F)c12 ZINC000019564321 571007070 /nfs/dbraw/zinc/00/70/70/571007070.db2.gz KIYMCDCOIWLGHE-AWEZNQCLSA-N 0 3 375.394 4.988 40 0 GJABHN COCCn1cc(CNC2(c3ccc(OC)cc3)CCCC2)c2ccccc21 ZINC000019594212 571020294 /nfs/dbraw/zinc/02/02/94/571020294.db2.gz RXZACRHXFYWVIK-UHFFFAOYSA-N 0 3 378.516 4.855 40 0 GJABHN CCn1cc(CN2CCC(c3ccc(Cc4ccc(F)cc4)cn3)CC2)c(C)n1 ZINC000019690502 571029103 /nfs/dbraw/zinc/02/91/03/571029103.db2.gz FZGCSFJNKKKQJR-UHFFFAOYSA-N 0 3 392.522 4.716 40 0 GJABHN c1cc(CN2CCC(c3nc4ccc(Nc5ccccc5)cn4n3)CC2)cs1 ZINC000096038317 571097150 /nfs/dbraw/zinc/09/71/50/571097150.db2.gz GBYBLQPKORHCNW-UHFFFAOYSA-N 0 3 389.528 4.914 40 0 GJABHN COc1ccccc1CN1CCC[C@@H](c2cc(C(F)F)c3c(C)noc3n2)C1 ZINC000019564372 210266139 /nfs/dbraw/zinc/26/61/39/210266139.db2.gz PHJCMCLWVSAODZ-CQSZACIVSA-N 0 3 387.430 4.857 40 0 GJABHN O=C(c1ccc(Cl)cc1Cl)N1CCC[C@H](N2CCc3ccccc3C2)C1 ZINC000408610701 231078842 /nfs/dbraw/zinc/07/88/42/231078842.db2.gz ROEIWOOYQMQPFS-SFHVURJKSA-N 0 3 389.326 4.656 40 0 GJABHN CC(C)(C)C(=O)N1C[C@H](c2ccsc2)[C@H]2CN(Cc3ccsc3)CC[C@H]21 ZINC000019081667 210225261 /nfs/dbraw/zinc/22/52/61/210225261.db2.gz PXJPLGCQULKLAG-GUDVDZBRSA-N 0 3 388.602 4.672 40 0 GJABHN CN1[C@H]2C=C(N(CCc3ccccc3)C(=O)c3ccc(Cl)cc3)C[C@@H]1CC2 ZINC000004076194 204026263 /nfs/dbraw/zinc/02/62/63/204026263.db2.gz CYJGIDCBUJBZAX-RTWAWAEBSA-N 0 3 380.919 4.775 40 0 GJABHN COc1ccc(-c2ccc(CNCCCSc3ncccn3)o2)cc1Cl ZINC000004984215 204099642 /nfs/dbraw/zinc/09/96/42/204099642.db2.gz QUALYRFQEGDEJD-UHFFFAOYSA-N 0 3 389.908 4.671 40 0 GJABHN Fc1cccc(CN2CC[C@H](c3nc(-c4cccc(C(F)(F)F)c4)no3)C2)c1 ZINC000072369967 205336656 /nfs/dbraw/zinc/33/66/56/205336656.db2.gz HIILOTCVBLTGSW-HNNXBMFYSA-N 0 3 391.368 4.884 40 0 GJABHN Clc1ccc(CNC[C@H]2Cn3c(-c4cccc(Cl)c4)cnc3CO2)cc1 ZINC000096269347 206121496 /nfs/dbraw/zinc/12/14/96/206121496.db2.gz DWKDCATYIBGBTP-SFHVURJKSA-N 0 3 388.298 4.546 40 0 biogenic,in-vitro GJABHN COc1cccc(Nc2cc(C)nc([C@H]3CCCN(C(=O)C(C)(C)C)C3)c2)c1 ZINC000257269075 206170215 /nfs/dbraw/zinc/17/02/15/206170215.db2.gz MOLXPTYORURROM-KRWDZBQOSA-N 0 3 381.520 4.894 40 0 GJABHN Cc1cc(-c2snnc2[C@H]2CCCN(CC[C@H](C)c3ccc(C)o3)C2)on1 ZINC000072396704 211111727 /nfs/dbraw/zinc/11/17/27/211111727.db2.gz GYYQDWYCEHWADR-BBRMVZONSA-N 0 3 386.521 4.776 40 0 GJABHN FC(F)(F)c1cccc(-c2cncc([C@H]3CCCN(Cc4ccncc4)C3)n2)c1 ZINC000072359402 211101238 /nfs/dbraw/zinc/10/12/38/211101238.db2.gz QFFMXPQCCWEANL-SFHVURJKSA-N 0 3 398.432 4.937 40 0 GJABHN FC(F)(F)c1cccc(-c2cncc(C3CCN(Cc4cccnc4)CC3)n2)c1 ZINC000072359407 211100848 /nfs/dbraw/zinc/10/08/48/211100848.db2.gz LTJHKYPHZGQFCW-UHFFFAOYSA-N 0 3 398.432 4.937 40 0 GJABHN CCc1ncc(CN2CCC[C@@H](c3cccc(-c4ccc(F)cc4)n3)C2)cn1 ZINC000072350246 211097494 /nfs/dbraw/zinc/09/74/94/211097494.db2.gz XLKAIZQKKYPVMT-LJQANCHMSA-N 0 3 376.479 4.620 40 0 GJABHN COc1ccc2c(c1Oc1ccccc1)[C@@]13CCN(C)[C@@H](C2)[C@@H]1[C@H](C)CC(=O)C3 ZINC000253504567 560037798 /nfs/dbraw/zinc/03/77/98/560037798.db2.gz HLKCYOOWMVLNED-LRVLYQPQSA-N 0 3 391.511 4.601 40 0 biogenic,in-vitro GJABHN c1coc(CN[C@H]2CC3(CCN(Cc4nccs4)CC3)c3ccccc32)c1 ZINC000096079060 570210059 /nfs/dbraw/zinc/21/00/59/570210059.db2.gz PZDGVHBAGBEZJN-FQEVSTJZSA-N 0 3 379.529 4.505 40 0 GJABHN O[C@H]1[C@H](Oc2ccc(Cl)cc2)CCC[C@@H]1NCc1cccc(C(F)(F)F)c1 ZINC000585289725 570257859 /nfs/dbraw/zinc/25/78/59/570257859.db2.gz WFWWNEIHXCDVHN-IPMKNSEASA-N 0 3 399.840 4.809 40 0 GJABHN CCOc1ccc(NC(=O)NC2C[C@H]3CCC[C@@H](C2)N3Cc2cccs2)cc1 ZINC000004883302 570415347 /nfs/dbraw/zinc/41/53/47/570415347.db2.gz SBOOOUKSUDFDPX-YQQQUEKLSA-N 0 3 399.560 4.854 40 0 GJABHN CN1CCC(Oc2ccc(NC(=O)CCc3cccc4ccccc43)cc2)CC1 ZINC000222681099 570420410 /nfs/dbraw/zinc/42/04/10/570420410.db2.gz RXDPEDPUOBIYDV-UHFFFAOYSA-N 0 3 388.511 4.884 40 0 GJABHN CCN(CC)CCOC(=O)[C@@](O)(C1CCCCC1)[C@@H]1CC[C@H](C)[C@H](C)[C@@H]1C ZINC000005047946 570425937 /nfs/dbraw/zinc/42/59/37/570425937.db2.gz DSDOVAAVIZFCDR-WIRGQOOTSA-N 0 3 381.601 4.501 40 0 GJABHN Cc1cccc(CN2CCC(C(=O)Nc3cccc(C(F)(F)F)c3)CC2)c1 ZINC000039753926 570447538 /nfs/dbraw/zinc/44/75/38/570447538.db2.gz WLTHRKSQESCETA-UHFFFAOYSA-N 0 3 376.422 4.865 40 0 GJABHN Cc1ccc(CSCCNC(=O)C2CCN(Cc3cccc(C)c3)CC2)cc1 ZINC000039749221 570447590 /nfs/dbraw/zinc/44/75/90/570447590.db2.gz CXWYMTCCOSFYQQ-UHFFFAOYSA-N 0 3 396.600 4.565 40 0 GJABHN Cc1ccc(Nc2cc(-c3ccccc3)nc(NCCN(C)C)n2)cc1Cl ZINC000242975764 570457346 /nfs/dbraw/zinc/45/73/46/570457346.db2.gz HPQQMIZBABKKKA-UHFFFAOYSA-N 0 3 381.911 4.823 40 0 GJABHN Cc1ccc(Cl)cc1Nc1cc(-c2ccccc2)nc(NCCN(C)C)n1 ZINC000244046844 570458354 /nfs/dbraw/zinc/45/83/54/570458354.db2.gz SZUZGPXLNLFYLR-UHFFFAOYSA-N 0 3 381.911 4.823 40 0 GJABHN CN(C)CCNc1nc(Nc2ccc(F)c(Cl)c2)cc(-c2ccccc2)n1 ZINC000244531039 570458884 /nfs/dbraw/zinc/45/88/84/570458884.db2.gz ZTBBUTSVUOVONN-UHFFFAOYSA-N 0 3 385.874 4.653 40 0 GJABHN CC[C@H](NC(=O)[C@@H]1CCCN(Cc2ccc(F)cc2)C1)c1ccc(OC)c(C)c1 ZINC000224411566 570512414 /nfs/dbraw/zinc/51/24/14/570512414.db2.gz RUIBWTRAOHIMJI-IRLDBZIGSA-N 0 3 398.522 4.622 40 0 GJABHN O=C(NCCSC1CCCC1)c1ccc(CN2CCc3ccccc3C2)cc1 ZINC000225332531 570565165 /nfs/dbraw/zinc/56/51/65/570565165.db2.gz VLOWOWVSJDOWLZ-UHFFFAOYSA-N 0 3 394.584 4.651 40 0 GJABHN COc1ccc(CN2CCC[C@H]2c2cccc(F)c2)cc1Cn1ccnc1C ZINC000036752958 570570107 /nfs/dbraw/zinc/57/01/07/570570107.db2.gz QKKVOJSJXZIHFN-QFIPXVFZSA-N 0 3 379.479 4.725 40 0 GJABHN CN(C)CCOc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCCC2)cc1 ZINC000225522782 570583612 /nfs/dbraw/zinc/58/36/12/570583612.db2.gz KIXMDTJGIBMYHI-UHFFFAOYSA-N 0 3 386.923 4.731 40 0 GJABHN CCCO[C@@](C)(CCC)C(=O)Nc1ccc(OCCN2CCC(C)CC2)cc1 ZINC000225738557 570611565 /nfs/dbraw/zinc/61/15/65/570611565.db2.gz GLHSCGYEQQACQA-QHCPKHFHSA-N 0 3 390.568 4.721 40 0 GJABHN Cc1ccc(C)c(-n2c(SCCN3CCCCC3)nnc2-c2cccnc2)c1 ZINC000004858619 570639319 /nfs/dbraw/zinc/63/93/19/570639319.db2.gz UKIIAQCHJQNGLF-UHFFFAOYSA-N 0 3 393.560 4.524 40 0 GJABHN O=C(NCCCc1ccccc1)c1ccc(CN2CCc3ccccc3C2)cc1 ZINC000013668330 570770067 /nfs/dbraw/zinc/77/00/67/570770067.db2.gz ADIYXBLBXFHTPR-UHFFFAOYSA-N 0 3 384.523 4.608 40 0 GJABHN Cc1ccc(C(=O)N2CCC[C@@]3(CCCN3Cc3cc(F)ccc3F)CC2)o1 ZINC000585100352 570924509 /nfs/dbraw/zinc/92/45/09/570924509.db2.gz GDGUIBIOAVFBQM-JOCHJYFZSA-N 0 3 388.458 4.527 40 0 GJABHN COc1cc(N)c([C@@H]2N[C@@H](C)Cc3c4cc(F)c(Cl)cc4[nH]c32)cc1Cl ZINC000261508973 212031769 /nfs/dbraw/zinc/03/17/69/212031769.db2.gz YSJVBYYUXMVASZ-RLBGWGEZSA-N 0 3 394.277 4.828 40 0 GJABHN COc1ccccc1CN(CCCn1ccnc1)Cc1cccc2cccnc21 ZINC000043277800 205084143 /nfs/dbraw/zinc/08/41/43/205084143.db2.gz AYCUBGDKPDSQFQ-UHFFFAOYSA-N 0 3 386.499 4.532 40 0 GJABHN CC(=O)Nc1ccc(CN2CCC[C@@H]2c2cccc(Cc3ccccc3)n2)cc1 ZINC000072358106 205334454 /nfs/dbraw/zinc/33/44/54/205334454.db2.gz BHLVVDLWZGGNKP-RUZDIDTESA-N 0 3 385.511 4.968 40 0 GJABHN CC[C@H](Oc1cc(C)ccc1C)C(=O)NCc1ccccc1CN1CCCCC1 ZINC000224837782 206029810 /nfs/dbraw/zinc/02/98/10/206029810.db2.gz AUFUZLOEWBXZKN-QHCPKHFHSA-N 0 3 394.559 4.763 40 0 GJABHN CN(C)CCOc1ccc(NC(=O)C2(c3ccccc3F)CCCCC2)cc1 ZINC000225544784 206054241 /nfs/dbraw/zinc/05/42/41/206054241.db2.gz FALQGDOBSZKKKR-UHFFFAOYSA-N 0 3 384.495 4.607 40 0 GJABHN O=C([C@@H]1CCCN(Cc2ccccc2F)C1)N1CCC(Cc2ccccc2)CC1 ZINC000004745024 206214793 /nfs/dbraw/zinc/21/47/93/206214793.db2.gz WMWDKSUEACMBLJ-HSZRJFAPSA-N 0 3 394.534 4.519 40 0 GJABHN CC(C)C[C@@H]1N[C@H](C(=O)NCc2ccccc2Cl)Cc2c[nH]c3cccc1c23 ZINC000049171379 211459395 /nfs/dbraw/zinc/45/93/95/211459395.db2.gz PQPOVTZTSXROCV-SFTDATJTSA-N 0 3 395.934 4.739 40 0 biogenic,in-vitro GJABHN CC(C)NC(=O)C[C@@H]1CC2(CCN(Cc3cccs3)CC2)Oc2ccccc21 ZINC000096053307 211298034 /nfs/dbraw/zinc/29/80/34/211298034.db2.gz NCYUHKXZIUUONS-GOSISDBHSA-N 0 3 398.572 4.564 40 0 GJABHN Fc1cccc(-c2ccc3nc(C4CCN(Cc5ccsc5)CC4)nn3c2)c1 ZINC000096038196 211296948 /nfs/dbraw/zinc/29/69/48/211296948.db2.gz LNSZAYDSGASZSL-UHFFFAOYSA-N 0 3 392.503 4.977 40 0 GJABHN O=C(N[C@H](c1ccccn1)[C@H]1CCCN(Cc2cccc(Cl)c2)C1)C1CCC1 ZINC000072330597 211091622 /nfs/dbraw/zinc/09/16/22/211091622.db2.gz YJEJBOYWILOFSN-UGKGYDQZSA-N 0 3 397.950 4.605 40 0 GJABHN CCOC(=O)c1ccc(C)c(NC(=O)c2ccc(CN3CCC(C)CC3)cc2)c1 ZINC000020040779 210312399 /nfs/dbraw/zinc/31/23/99/210312399.db2.gz XUPDXYJBEOOVPC-UHFFFAOYSA-N 0 3 394.515 4.656 40 0 GJABHN Cc1ccc(CN2CCC(C(=O)Nc3ccc(Br)cc3)CC2)cc1 ZINC000039743575 533917334 /nfs/dbraw/zinc/91/73/34/533917334.db2.gz UHTMIRRNOKFUIW-UHFFFAOYSA-N 0 3 387.321 4.608 40 0 GJABHN CN(C(=O)Cc1ccc(Cl)c(Cl)c1)[C@H](CN1CCCC1)c1ccccc1 ZINC000000607289 570210634 /nfs/dbraw/zinc/21/06/34/570210634.db2.gz AEJOEPSMZCEYJN-HXUWFJFHSA-N 0 3 391.342 4.831 40 0 in-vivo GJABHN Cc1ccc(S[C@H](C)C(=O)NCc2ccccc2CN2CCCCC2)cc1 ZINC000024650703 570388841 /nfs/dbraw/zinc/38/88/41/570388841.db2.gz RFBJFEORZOQSRD-LJQANCHMSA-N 0 3 382.573 4.778 40 0 GJABHN COc1ccc(CN2[C@@H]3CCC[C@H]2CC(NC(=O)Nc2cccc(F)c2)C3)cc1 ZINC000004887958 570421405 /nfs/dbraw/zinc/42/14/05/570421405.db2.gz SGLJFUYVBSASKN-SEJPIABJSA-N 0 3 397.494 4.542 40 0 GJABHN CC1CCN(Cc2ccc(C(=O)Nc3nnc(-c4ccccc4)s3)cc2)CC1 ZINC000222706682 570421561 /nfs/dbraw/zinc/42/15/61/570421561.db2.gz DCPKOTJSHHAQJH-UHFFFAOYSA-N 0 3 392.528 4.689 40 0 GJABHN C[C@H](NC(=O)C1CCN(Cc2ccccc2)CC1)c1ccc2c(c1)CCCC2 ZINC000222974350 570434365 /nfs/dbraw/zinc/43/43/65/570434365.db2.gz FMVZSZDWRNYMCN-IBGZPJMESA-N 0 3 376.544 4.655 40 0 GJABHN C[C@H](NC(=O)C1CCN(Cc2ccc(F)cc2)CC1)c1ccc2c(c1)CCCC2 ZINC000222976191 570434640 /nfs/dbraw/zinc/43/46/40/570434640.db2.gz QVCKCWKKQPEKGX-SFHVURJKSA-N 0 3 394.534 4.794 40 0 GJABHN CC[C@H](Oc1ccc(C)cc1C)C(=O)Nc1ccc(OC2CCN(C)CC2)cc1 ZINC000222975754 570434656 /nfs/dbraw/zinc/43/46/56/570434656.db2.gz AYVLMLDXJPEKAG-QFIPXVFZSA-N 0 3 396.531 4.573 40 0 GJABHN Cc1ccc(CN2CCC(C(=O)NCCCc3ccc(Cl)cc3)CC2)cc1 ZINC000039762075 570445668 /nfs/dbraw/zinc/44/56/68/570445668.db2.gz XESUILSAOLQIJK-UHFFFAOYSA-N 0 3 384.951 4.609 40 0 GJABHN COc1ccc(NC(=O)[C@H]2CCCN(Cc3ccc(Cl)cc3)C2)cc1Cl ZINC000028220863 570452743 /nfs/dbraw/zinc/45/27/43/570452743.db2.gz WMTWELPEQYKZNJ-HNNXBMFYSA-N 0 3 393.314 4.853 40 0 GJABHN CCCOC(C(=O)O[C@@H]1CC[C@H]2CC[C@@H]1N2C)(c1ccccc1)c1ccccc1 ZINC000005785209 570456392 /nfs/dbraw/zinc/45/63/92/570456392.db2.gz HKGIWDBWRYKYTC-XPWALMASSA-N 0 3 393.527 4.525 40 0 GJABHN CCN(CC)[C@H](CNC(=O)c1cc(-c2ccccc2)on1)c1ccc(Cl)cc1 ZINC000028296111 570457559 /nfs/dbraw/zinc/45/75/59/570457559.db2.gz UGTWBJYJTAWASN-HXUWFJFHSA-N 0 3 397.906 4.808 40 0 GJABHN CC[C@@H](C)c1ccccc1OC[C@@H](O)CN1CCC(Cc2ccccc2)CC1 ZINC000006355909 570477796 /nfs/dbraw/zinc/47/77/96/570477796.db2.gz STEUGUDCLGDMGA-OFNKIYASSA-N 0 3 381.560 4.895 40 0 GJABHN O=C(Nc1nnc(-c2ccc(Cl)cc2)s1)c1ccc(CN2CCCC2)cc1 ZINC000224000231 570493583 /nfs/dbraw/zinc/49/35/83/570493583.db2.gz ABCULTBGUUJLII-UHFFFAOYSA-N 0 3 398.919 4.707 40 0 GJABHN Cc1cccc(CN2CCC(C(=O)Nc3ccc(N4CCCCC4)cc3)CC2)c1 ZINC000224968630 570540326 /nfs/dbraw/zinc/54/03/26/570540326.db2.gz UYNMMNRHTCAHMP-UHFFFAOYSA-N 0 3 391.559 4.836 40 0 GJABHN O=C(N[C@@H](C[C@H]1CCCCN1Cc1ccc(F)cc1)c1ccccn1)C1CCC1 ZINC000036734725 570568655 /nfs/dbraw/zinc/56/86/55/570568655.db2.gz ZXIGFMHJUXKYEJ-GGAORHGYSA-N 0 3 395.522 4.623 40 0 GJABHN O=C(NCc1ccccc1Cl)[C@H]1CCCN(Cc2ccccc2Cl)C1 ZINC000038857372 570588453 /nfs/dbraw/zinc/58/84/53/570588453.db2.gz NJSKAOXAGMFJME-KRWDZBQOSA-N 0 3 377.315 4.522 40 0 GJABHN Cc1ccc(CN2CCC(C(=O)Nc3ccccc3Br)CC2)cc1 ZINC000009063104 570773818 /nfs/dbraw/zinc/77/38/18/570773818.db2.gz LCUBOXMXIVXLKX-UHFFFAOYSA-N 0 3 387.321 4.608 40 0 GJABHN COCCCN(Cc1c2cccnc2[nH]c1C1CCCC1)Cc1ccccn1 ZINC000019593273 571019822 /nfs/dbraw/zinc/01/98/22/571019822.db2.gz FNHSWXMUYQCBGH-UHFFFAOYSA-N 0 3 378.520 4.654 40 0 GJABHN Cc1noc2nc([C@H]3CCCN(Cc4cccc(F)c4)C3)cc(C(F)F)c12 ZINC000019564345 210263692 /nfs/dbraw/zinc/26/36/92/210263692.db2.gz ZMLZADDVPYSEKB-AWEZNQCLSA-N 0 3 375.394 4.988 40 0 GJABHN CCc1cc(C(F)(F)F)c2c(n1)onc2[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000019522019 210255236 /nfs/dbraw/zinc/25/52/36/210255236.db2.gz MTXQUXRIBWFQOP-CQSZACIVSA-N 0 3 390.409 4.579 40 0 GJABHN Cc1ccc(-c2nnc([C@H]3CCCN(CCOc4ccc(F)cc4)C3)o2)s1 ZINC000019217602 210230253 /nfs/dbraw/zinc/23/02/53/210230253.db2.gz QSDLMOFGNGXQAQ-HNNXBMFYSA-N 0 3 387.480 4.504 40 0 GJABHN CC(C)(C)C(=O)N[C@@H](C[C@H]1CCCCN1Cc1cccc(F)c1)c1ccccn1 ZINC000019081750 210225090 /nfs/dbraw/zinc/22/50/90/210225090.db2.gz KUKVZNFEICBDBJ-IRLDBZIGSA-N 0 3 397.538 4.869 40 0 GJABHN CCOCCCNCc1cc(Br)ccc1OCc1ccc(F)cc1 ZINC000008253160 204268658 /nfs/dbraw/zinc/26/86/58/204268658.db2.gz XWZVVKTYUXIWDD-UHFFFAOYSA-N 0 3 396.300 4.683 40 0 GJABHN CC(=O)NC1(c2ccc(F)cc2)CCN(Cc2oc3ccccc3c2C)CC1 ZINC000012292871 204389812 /nfs/dbraw/zinc/38/98/12/204389812.db2.gz PMFSJNARQLHTIU-UHFFFAOYSA-N 0 3 380.463 4.508 40 0 GJABHN Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)C1CCN(Cc2ccccc2)CC1 ZINC000044855369 205087415 /nfs/dbraw/zinc/08/74/15/205087415.db2.gz HPSABWCOEOQMET-QFIPXVFZSA-N 0 3 392.543 4.626 40 0 GJABHN CNc1ncccc1CN1CCC[C@@H](c2cccc(-c3ccccc3OC)n2)C1 ZINC000072350255 205331151 /nfs/dbraw/zinc/33/11/51/205331151.db2.gz FQUWKQQLXLNRKJ-GOSISDBHSA-N 0 3 388.515 4.574 40 0 GJABHN Cc1c(CN2CCC[C@H](c3cc(Cc4ccc(F)cc4)cc(C)n3)C2)cnn1C ZINC000072353979 205332638 /nfs/dbraw/zinc/33/26/38/205332638.db2.gz YSCBOGKBNRQUOQ-NRFANRHFSA-N 0 3 392.522 4.541 40 0 GJABHN COc1ccc(CN2CCC[C@@H](c3nccnc3-c3cccc(OC)c3)C2)cc1 ZINC000072358401 205333840 /nfs/dbraw/zinc/33/38/40/205333840.db2.gz PZWVZKBUOJUFJV-HXUWFJFHSA-N 0 3 389.499 4.540 40 0 GJABHN CCCSc1nnc(NC(=O)c2ccc(CN3CCC(C)CC3)cc2)s1 ZINC000225088108 206035157 /nfs/dbraw/zinc/03/51/57/206035157.db2.gz OMNJONMJHSZWNZ-UHFFFAOYSA-N 0 3 390.578 4.524 40 0 GJABHN CCCCC[C@@](C)(OC)C(=O)Nc1ccc(OCCN2CCC(C)CC2)cc1 ZINC000225622864 206062667 /nfs/dbraw/zinc/06/26/67/206062667.db2.gz BPMYAIRVNHQEGN-HSZRJFAPSA-N 0 3 390.568 4.721 40 0 GJABHN Cc1ccc(CN2CCC(c3nc4ccc(-c5cccc(F)c5)cn4n3)CC2)o1 ZINC000096038199 211296254 /nfs/dbraw/zinc/29/62/54/211296254.db2.gz KJSKPJKUZQPZOO-UHFFFAOYSA-N 0 3 390.462 4.816 40 0 GJABHN CC(C)c1ccc(OCCc2cc([C@@H]3CCN(Cc4ccncc4)C3)[nH]n2)cc1 ZINC000072380048 211107372 /nfs/dbraw/zinc/10/73/72/211107372.db2.gz AFZVCANFGACJNF-OAQYLSRUSA-N 0 3 390.531 4.539 40 0 GJABHN CC(C)c1ccc(OCCc2cc([C@@H]3CCN(Cc4ccncc4)C3)n[nH]2)cc1 ZINC000072380048 211107376 /nfs/dbraw/zinc/10/73/76/211107376.db2.gz AFZVCANFGACJNF-OAQYLSRUSA-N 0 3 390.531 4.539 40 0 GJABHN COc1cccc(CN2CCC[C@@H]2c2nc(N(C)C)ncc2-c2ccccc2)c1 ZINC000019690428 210281266 /nfs/dbraw/zinc/28/12/66/210281266.db2.gz QQGORJYZGCDKAZ-JOCHJYFZSA-N 0 3 388.515 4.555 40 0 GJABHN Cc1ccc(CN2CCC(C(=O)N[C@H](C)c3ccc4c(c3)CCCC4)CC2)cc1 ZINC000222974813 570434231 /nfs/dbraw/zinc/43/42/31/570434231.db2.gz QNWHQJXMYACIJL-HXUWFJFHSA-N 0 3 390.571 4.963 40 0 GJABHN Cc1ccc(CSCCNC(=O)C2CCN(Cc3ccc(C)cc3)CC2)cc1 ZINC000039758161 570449384 /nfs/dbraw/zinc/44/93/84/570449384.db2.gz QXNMOQLIXXMORD-UHFFFAOYSA-N 0 3 396.600 4.565 40 0 GJABHN O=C(Nc1ccc(Cl)c(Cl)c1)[C@@H]1CCCN(Cc2ccc(F)cc2)C1 ZINC000030938702 570501388 /nfs/dbraw/zinc/50/13/88/570501388.db2.gz OKEOLCWRQWFMRF-CQSZACIVSA-N 0 3 381.278 4.983 40 0 GJABHN C[C@H](CCc1ccccc1)NC(=O)[C@@H]1CCCN(Cc2ccccc2Cl)C1 ZINC000030943677 570501432 /nfs/dbraw/zinc/50/14/32/570501432.db2.gz YOUPGUBFZYNQOW-WIYYLYMNSA-N 0 3 384.951 4.690 40 0 GJABHN Cc1ccccc1CSCC(=O)NCc1ccccc1CN1CCCCC1 ZINC000224806499 570531878 /nfs/dbraw/zinc/53/18/78/570531878.db2.gz XNZULDXLJWUXTH-UHFFFAOYSA-N 0 3 382.573 4.531 40 0 GJABHN COc1c(Br)cc(Br)cc1CNC1CCCCC1 ZINC000008469456 570531985 /nfs/dbraw/zinc/53/19/85/570531985.db2.gz FXUMBUJXWCRRHH-UHFFFAOYSA-N 0 3 377.120 4.643 40 0 GJABHN COc1ccc(CCNCc2cccc(OC)c2OCc2ccc(F)cc2)cc1 ZINC000008474507 570532398 /nfs/dbraw/zinc/53/23/98/570532398.db2.gz JBKPSWHCOWJZDQ-UHFFFAOYSA-N 0 3 395.474 4.754 40 0 GJABHN CC[C@H](Oc1cc(C)cc(C)c1)C(=O)NCc1ccccc1CN1CCCCC1 ZINC000224850122 570534286 /nfs/dbraw/zinc/53/42/86/570534286.db2.gz VBUWLTSKSRDBPE-DEOSSOPVSA-N 0 3 394.559 4.763 40 0 GJABHN O=C(Nc1ccccc1C(F)(F)F)[C@H]1CCCN(Cc2ccc(F)cc2)C1 ZINC000038849801 570587697 /nfs/dbraw/zinc/58/76/97/570587697.db2.gz DTRKHABRHYLTMY-HNNXBMFYSA-N 0 3 380.385 4.695 40 0 GJABHN Cc1cccc(CSCCNC(=O)c2ccc(CN3CCC(C)CC3)cc2)c1 ZINC000038851664 570587748 /nfs/dbraw/zinc/58/77/48/570587748.db2.gz LHILZGPAAVAGTO-UHFFFAOYSA-N 0 3 396.600 4.890 40 0 GJABHN O=C(Nc1ccc(F)c(Cl)c1)[C@H]1CCCN(Cc2ccccc2Cl)C1 ZINC000038853419 570588216 /nfs/dbraw/zinc/58/82/16/570588216.db2.gz QYAMKPCXNLZICQ-AWEZNQCLSA-N 0 3 381.278 4.983 40 0 GJABHN Cc1ccc(CN2CCC(C(=O)N[C@H]3CC(C)(C)Oc4ccccc43)CC2)cc1 ZINC000044918352 570643433 /nfs/dbraw/zinc/64/34/33/570643433.db2.gz JUNJTDLZLGKMCA-QFIPXVFZSA-N 0 3 392.543 4.626 40 0 GJABHN Cc1ccc(NC(=S)NC2C[C@H]3CCC[C@@H](C2)N3Cc2cccs2)cc1 ZINC000008578447 570681142 /nfs/dbraw/zinc/68/11/42/570681142.db2.gz HQFPUAJGLRNHNO-YQQQUEKLSA-N 0 3 385.602 4.929 40 0 GJABHN C[C@H](O)CN(Cc1ccc2c(c1)OCO2)Cc1cccc(-c2cccc(F)c2)c1 ZINC000013991946 570869019 /nfs/dbraw/zinc/86/90/19/570869019.db2.gz IZIWBPAAHSPDMZ-KRWDZBQOSA-N 0 3 393.458 4.604 40 0 GJABHN Cc1[nH]c2ccccc2c1[C@H](c1ccncc1)N1CCN(c2ccccc2)CC1 ZINC000005721563 570898219 /nfs/dbraw/zinc/89/82/19/570898219.db2.gz AYMDCNPLVAWAEY-VWLOTQADSA-N 0 3 382.511 4.783 40 0 GJABHN Cc1ccc(-c2nnc([C@@H]3CCCN(CCOc4ccc(F)cc4)C3)o2)s1 ZINC000019217600 570962400 /nfs/dbraw/zinc/96/24/00/570962400.db2.gz QSDLMOFGNGXQAQ-OAHLLOKOSA-N 0 3 387.480 4.504 40 0 GJABHN Cc1noc2nc(C3CCN(Cc4ccc(F)cc4)CC3)cc(C(F)F)c12 ZINC000019565020 571006998 /nfs/dbraw/zinc/00/69/98/571006998.db2.gz YIIOENSHQXFBMH-UHFFFAOYSA-N 0 3 375.394 4.988 40 0 GJABHN Cc1ccccc1-c1ccc2n(c1=O)C[C@H]1C[C@@H]2CN(Cc2cccs2)C1 ZINC000020503208 575369239 /nfs/dbraw/zinc/36/92/39/575369239.db2.gz VOSKNNGMIJKCSY-ZWKOTPCHSA-N 0 3 376.525 4.505 40 0 biogenic,in-vitro GJABHN Cc1noc2nc([C@@H]3CCCN(Cc4ccc(F)cc4)C3)cc(C(F)F)c12 ZINC000019564316 210264329 /nfs/dbraw/zinc/26/43/29/210264329.db2.gz KIYMCDCOIWLGHE-CQSZACIVSA-N 0 3 375.394 4.988 40 0 GJABHN O=C(Nc1ccccc1CN1CCCCCC1)c1ccccc1Cn1ccnc1 ZINC000019349807 210243713 /nfs/dbraw/zinc/24/37/13/210243713.db2.gz QZXSPAZPWJETEL-UHFFFAOYSA-N 0 3 388.515 4.560 40 0 GJABHN Cc1ccc(CN2CCC(c3nc(NC(C)C)ncc3-c3cccnc3)CC2)o1 ZINC000019216584 210230373 /nfs/dbraw/zinc/23/03/73/210230373.db2.gz YCQYFHSTOIJYJI-UHFFFAOYSA-N 0 3 391.519 4.640 40 0 GJABHN CN(C(=O)OCc1ccccc1)[C@@H](CN1CCCC1)c1c[nH]c2ccccc21 ZINC000012651017 209989126 /nfs/dbraw/zinc/98/91/26/209989126.db2.gz KYMMYXGQKBCPRR-QFIPXVFZSA-N 0 3 377.488 4.573 40 0 GJABHN CC(=O)NC1(c2ccccc2F)CCN(Cc2oc3ccccc3c2C)CC1 ZINC000012292870 204390058 /nfs/dbraw/zinc/39/00/58/204390058.db2.gz CUSKZGNMASPEJK-UHFFFAOYSA-N 0 3 380.463 4.508 40 0 GJABHN O=C(N[C@@H](C[C@@H]1CCCCN1Cc1ccc(F)cc1)c1ccccn1)C1CCC1 ZINC000036734722 205021594 /nfs/dbraw/zinc/02/15/94/205021594.db2.gz ZXIGFMHJUXKYEJ-GMAHTHKFSA-N 0 3 395.522 4.623 40 0 GJABHN CC[C@H](NC(=O)c1ccc(CN2CCC(C)CC2)cc1)c1ccc(OC)cc1 ZINC000044936475 205090388 /nfs/dbraw/zinc/09/03/88/205090388.db2.gz SQEYHTYWVMSQQD-QHCPKHFHSA-N 0 3 380.532 4.808 40 0 GJABHN FC(F)(F)c1cccc(-c2nccnc2[C@@H]2CCCN(Cc3cccnc3)C2)c1 ZINC000072358587 205333558 /nfs/dbraw/zinc/33/35/58/205333558.db2.gz DAZKYMHURASUOM-GOSISDBHSA-N 0 3 398.432 4.937 40 0 GJABHN COc1ccc(CN2CCC[C@H](c3nccnc3-c3ccccc3F)C2)cc1 ZINC000072358394 205334847 /nfs/dbraw/zinc/33/48/47/205334847.db2.gz ZFEMHVWTPHHAEI-SFHVURJKSA-N 0 3 377.463 4.671 40 0 GJABHN CN(C)c1ncc(-c2cccc(F)c2)c([C@@H]2CCCN2Cc2ccccc2)n1 ZINC000072376603 205338146 /nfs/dbraw/zinc/33/81/46/205338146.db2.gz ORALPPFYWUVJMJ-NRFANRHFSA-N 0 3 376.479 4.686 40 0 GJABHN c1ccc(Nc2nccc([C@H]3CCCN(Cc4ccc5ncccc5c4)C3)n2)nc1 ZINC000072377985 205340116 /nfs/dbraw/zinc/34/01/16/205340116.db2.gz ROYZPIAPKIFZKR-FQEVSTJZSA-N 0 3 396.498 4.543 40 0 GJABHN CC[C@@H](NC(=O)[C@@H]1CCCN(Cc2ccc(F)cc2)C1)c1ccc(OC)c(C)c1 ZINC000224411509 206020719 /nfs/dbraw/zinc/02/07/19/206020719.db2.gz RUIBWTRAOHIMJI-IFMALSPDSA-N 0 3 398.522 4.622 40 0 GJABHN CC[C@H](Oc1ccc(C)cc1C)C(=O)NCc1ccccc1CN1CCCCC1 ZINC000224850026 206028739 /nfs/dbraw/zinc/02/87/39/206028739.db2.gz GTJNQQDFFSZGSP-QHCPKHFHSA-N 0 3 394.559 4.763 40 0 GJABHN Cc1cccc(CN2CCC(C(=O)Nc3ccc(OC(F)(F)F)cc3)CC2)c1 ZINC000224884424 206030527 /nfs/dbraw/zinc/03/05/27/206030527.db2.gz VBYIWERHFDMMEP-UHFFFAOYSA-N 0 3 392.421 4.744 40 0 GJABHN O[C@H](COc1ccc(Cl)cc1Cl)CN1CCC(Cc2ccccc2)CC1 ZINC000000597004 206211078 /nfs/dbraw/zinc/21/10/78/206211078.db2.gz UQFKQDSFZGMCBG-IBGZPJMESA-N 0 3 394.342 4.688 40 0 GJABHN CNC(=O)c1sc2ccccc2c1C[C@@H]1CCCCN1Cc1cnc(C)s1 ZINC000072370502 211102298 /nfs/dbraw/zinc/10/22/98/211102298.db2.gz GFRMZHNFCAKEGM-HNNXBMFYSA-N 0 3 399.585 4.623 40 0 GJABHN CNc1ncccc1CN1CCC[C@H](c2cccc(-c3cccc(OC)c3)n2)C1 ZINC000072350256 211097795 /nfs/dbraw/zinc/09/77/95/211097795.db2.gz LJZVPZIRWYZCIP-IBGZPJMESA-N 0 3 388.515 4.574 40 0 GJABHN CC(C)Oc1ccc(CNC(=O)c2ccc(CN3CCC(C)CC3)cc2)cc1 ZINC000020457193 210338684 /nfs/dbraw/zinc/33/86/84/210338684.db2.gz VEXHXOZHVFBTAD-UHFFFAOYSA-N 0 3 380.532 4.636 40 0 GJABHN CN(Cc1ccccc1)C(=O)[C@H]1CCCN(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000066136428 222138904 /nfs/dbraw/zinc/13/89/04/222138904.db2.gz UYYRGUHHPKHWTR-IBGZPJMESA-N 0 3 390.449 4.576 40 0 GJABHN CCOC(=O)C1=C(C)NC(SCc2cccc(F)c2)=N[C@H]1c1ccccc1 ZINC000408989112 528617302 /nfs/dbraw/zinc/61/73/02/528617302.db2.gz JXNZLYDTHIAZRQ-IBGZPJMESA-N 0 3 384.476 4.597 40 0 GJABHN COc1ccc2c(c1Oc1ccccc1)[C@@]13CCN(C)[C@@H](C2)[C@H]1[C@H](C)CC(=O)C3 ZINC000253504571 560037822 /nfs/dbraw/zinc/03/78/22/560037822.db2.gz HLKCYOOWMVLNED-YBVULOPDSA-N 0 3 391.511 4.601 40 0 biogenic,in-vitro GJABHN Fc1ccc(CN2CC[C@H](c3nc4cc(C(F)(F)F)ccc4[nH]3)C2)cc1F ZINC000035446683 560079430 /nfs/dbraw/zinc/07/94/30/560079430.db2.gz DYTMRDALWIKGHQ-LBPRGKRZSA-N 0 3 381.348 4.849 40 0 biogenic,in-vitro GJABHN Fc1ccc(CN2CC[C@H](c3nc4ccc(C(F)(F)F)cc4[nH]3)C2)cc1F ZINC000035446683 560079432 /nfs/dbraw/zinc/07/94/32/560079432.db2.gz DYTMRDALWIKGHQ-LBPRGKRZSA-N 0 3 381.348 4.849 40 0 biogenic,in-vitro GJABHN FC(F)(F)Oc1ccc(CN2CC[C@H](c3nnc(-c4ccccc4)o3)C2)cc1 ZINC000049169284 560084873 /nfs/dbraw/zinc/08/48/73/560084873.db2.gz SMPIOQDFIZFILQ-INIZCTEOSA-N 0 3 389.377 4.625 40 0 biogenic,in-vitro GJABHN O[C@H]1[C@H](Oc2cccc(Cl)c2)CCC[C@@H]1NCc1ccc(C(F)(F)F)cc1 ZINC000585288626 570258926 /nfs/dbraw/zinc/25/89/26/570258926.db2.gz FWYWFFCXCRBMFF-IPMKNSEASA-N 0 3 399.840 4.809 40 0 GJABHN CCCOc1cc(C(=O)OCCN(CC)CC)cc(OCCC)c1OCCC ZINC000004768973 570404722 /nfs/dbraw/zinc/40/47/22/570404722.db2.gz WARJSWCUKQGQLL-UHFFFAOYSA-N 0 3 395.540 4.552 40 0 GJABHN CCN(CC)CCOC(=O)[C@@](O)(C1CCCCC1)[C@H]1[C@H](C)CC[C@H](C)[C@@H]1C ZINC000005047943 570425801 /nfs/dbraw/zinc/42/58/01/570425801.db2.gz KGSXORVANNQUIT-GGQGVQAJSA-N 0 3 381.601 4.501 40 0 GJABHN O=C(NCc1ccc2ccccc2c1)[C@H]1CCCN(Cc2ccc(F)cc2)C1 ZINC000222813724 570427180 /nfs/dbraw/zinc/42/71/80/570427180.db2.gz LZXUMMJIMHBBLX-QFIPXVFZSA-N 0 3 376.475 4.507 40 0 GJABHN O=C(NCc1cccc2ccccc21)[C@H]1CCCN(Cc2ccc(F)cc2)C1 ZINC000222889994 570430223 /nfs/dbraw/zinc/43/02/23/570430223.db2.gz PWBCFIGQVZPCNV-NRFANRHFSA-N 0 3 376.475 4.507 40 0 GJABHN CCN(CC)[C@@H](CNC(=O)c1cc(-c2ccccc2)on1)c1ccc(Cl)cc1 ZINC000028296109 570457483 /nfs/dbraw/zinc/45/74/83/570457483.db2.gz UGTWBJYJTAWASN-FQEVSTJZSA-N 0 3 397.906 4.808 40 0 GJABHN CC(C)c1ccccc1OCCNC(=O)c1ccc(CN2CCCCC2)cc1 ZINC000223773646 570483927 /nfs/dbraw/zinc/48/39/27/570483927.db2.gz XCHVYITXQSNLNT-UHFFFAOYSA-N 0 3 380.532 4.605 40 0 GJABHN Cc1ccc(CSCC(=O)NCc2ccccc2CN2CCCCC2)cc1 ZINC000030551978 570491499 /nfs/dbraw/zinc/49/14/99/570491499.db2.gz AKOVVTLPJGOJPS-UHFFFAOYSA-N 0 3 382.573 4.531 40 0 GJABHN CC(C)(C)c1ccccc1OCC(=O)NCc1ccccc1CN1CCCCC1 ZINC000224849595 570534266 /nfs/dbraw/zinc/53/42/66/570534266.db2.gz HOJZUEWNMMRLGX-UHFFFAOYSA-N 0 3 394.559 4.665 40 0 GJABHN Cc1ccc(CN2CCC(C(=O)Nc3ccc(N4CCCCC4)cc3)CC2)cc1 ZINC000224968685 570540445 /nfs/dbraw/zinc/54/04/45/570540445.db2.gz KELXBLWUGOMMNB-UHFFFAOYSA-N 0 3 391.559 4.836 40 0 GJABHN O=C(NCCSC1CCCCC1)[C@@H]1CCCN(Cc2ccccc2Cl)C1 ZINC000038852769 570588194 /nfs/dbraw/zinc/58/81/94/570588194.db2.gz QHVBZYCGCWUDLO-GOSISDBHSA-N 0 3 395.012 4.734 40 0 GJABHN COc1ccc(-c2n[nH]cc2CNC2(c3ccc(OC)cc3)CCCC2)cc1 ZINC000012147628 570617223 /nfs/dbraw/zinc/61/72/23/570617223.db2.gz MIZVYJYBKSJKAV-UHFFFAOYSA-N 0 3 377.488 4.653 40 0 GJABHN Cc1ccc(CN(CCCn2ccnc2)Cc2ccc3ncccc3c2)s1 ZINC000043277873 570626875 /nfs/dbraw/zinc/62/68/75/570626875.db2.gz ZICZQMXNQXRUEP-UHFFFAOYSA-N 0 3 376.529 4.894 40 0 GJABHN Cc1cccc(-n2c(SCCN3CCCCC3)nnc2-c2cccnc2)c1C ZINC000004858617 570639223 /nfs/dbraw/zinc/63/92/23/570639223.db2.gz KEOVLEPRENFBEO-UHFFFAOYSA-N 0 3 393.560 4.524 40 0 GJABHN Cc1cccc(CCCNC(=O)[C@@H]2CCCN(Cc3ccccc3Cl)C2)c1 ZINC000044909618 570642504 /nfs/dbraw/zinc/64/25/04/570642504.db2.gz FMOFPIKYUKKZSJ-OAQYLSRUSA-N 0 3 384.951 4.609 40 0 GJABHN CC[C@@H](NC(=O)[C@H]1CCCN(Cc2ccc(F)cc2)C1)c1ccc(OC)c(C)c1 ZINC000260843434 570710315 /nfs/dbraw/zinc/71/03/15/570710315.db2.gz RUIBWTRAOHIMJI-RBBKRZOGSA-N 0 3 398.522 4.622 40 0 GJABHN Cn1c(SCc2ccccc2)nnc1[C@@H]1CCCN(Cc2cccs2)C1 ZINC000019289300 570924905 /nfs/dbraw/zinc/92/49/05/570924905.db2.gz YDAJKGRVJMQIJE-QGZVFWFLSA-N 0 3 384.574 4.549 40 0 GJABHN Cc1ccc(CN2C(=O)CC[C@]23CCCN(Cc2cccc(F)c2)CC3)cc1 ZINC000585100684 570925147 /nfs/dbraw/zinc/92/51/47/570925147.db2.gz SSXHGYJMWNAPGP-DEOSSOPVSA-N 0 3 380.507 4.681 40 0 GJABHN O=C(N[C@H](C[C@@H]1CCCCN1Cc1ccc(F)cc1)c1ccccn1)C1CCC1 ZINC000019400894 570982776 /nfs/dbraw/zinc/98/27/76/570982776.db2.gz ZXIGFMHJUXKYEJ-JTHBVZDNSA-N 0 3 395.522 4.623 40 0 GJABHN CN(CCOc1ccc(Cl)cc1)Cc1c2cccnc2[nH]c1[C@H]1CCCO1 ZINC000019586152 571015802 /nfs/dbraw/zinc/01/58/02/571015802.db2.gz WDVCJFZGMIFMRZ-LJQANCHMSA-N 0 3 385.895 4.579 40 0 GJABHN Cc1c2ccccc2[nH]c1CN1CCC(O)(c2ccc(C(F)(F)F)cc2)CC1 ZINC000019565871 210265618 /nfs/dbraw/zinc/26/56/18/210265618.db2.gz RWMYRRDDFJWETF-UHFFFAOYSA-N 0 3 388.433 4.979 40 0 GJABHN O=C(NCc1cccc2ccccc21)C1CCN(Cc2ccc(F)cc2)CC1 ZINC000222876776 222616534 /nfs/dbraw/zinc/61/65/34/222616534.db2.gz LJESHVJODJZBQP-UHFFFAOYSA-N 0 3 376.475 4.507 40 0 GJABHN Cc1cc(C[C@@H]2COC[C@H]2N(Cc2ccc(C)cc2)Cc2ccc(F)cc2)on1 ZINC000019210141 210229966 /nfs/dbraw/zinc/22/99/66/210229966.db2.gz JNLTVHAVEMIJMM-ZJSXRUAMSA-N 0 3 394.490 4.690 40 0 GJABHN Cc1cccc(CCCNC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)c1 ZINC000013671539 210077607 /nfs/dbraw/zinc/07/76/07/210077607.db2.gz IOSNFTYRQXCZJB-UHFFFAOYSA-N 0 3 398.550 4.916 40 0 GJABHN CC[C@H](CO)NCc1cc(Br)ccc1OCc1ccc(Cl)cc1 ZINC000008327054 209774470 /nfs/dbraw/zinc/77/44/70/209774470.db2.gz QUTCLDQQGRXFRC-QGZVFWFLSA-N 0 3 398.728 4.542 40 0 GJABHN CC(C)(CO)NCc1cc(Br)ccc1OCc1ccc(Cl)cc1 ZINC000006883122 204220363 /nfs/dbraw/zinc/22/03/63/204220363.db2.gz KVDHQHFJAXMYNF-UHFFFAOYSA-N 0 3 398.728 4.542 40 0 GJABHN CCOC(=O)c1cccc(NC(=O)c2ccc(CN3CCC(C)CC3)cc2)c1C ZINC000038753293 205037122 /nfs/dbraw/zinc/03/71/22/205037122.db2.gz HNMYZGSDHLWWJC-UHFFFAOYSA-N 0 3 394.515 4.656 40 0 GJABHN O=C(Nc1ccc(OC2CCCC2)cc1)C1CCN(Cc2ccc(F)cc2)CC1 ZINC000044917224 205090486 /nfs/dbraw/zinc/09/04/86/205090486.db2.gz YBJJPXKNVQZOCT-UHFFFAOYSA-N 0 3 396.506 4.998 40 0 GJABHN O=C(N[C@@H]1CCCc2ccccc21)[C@@H]1CCCN(Cc2ccccc2Cl)C1 ZINC000044932897 205091323 /nfs/dbraw/zinc/09/13/23/205091323.db2.gz FSDONOWWWAUSTK-DENIHFKCSA-N 0 3 382.935 4.746 40 0 GJABHN COc1ccc(-c2ncc(CNC3(c4ccc(OC)cc4)CCCC3)cn2)cc1 ZINC000057822767 205160768 /nfs/dbraw/zinc/16/07/68/205160768.db2.gz OLHXEZKTGLJAGG-UHFFFAOYSA-N 0 3 389.499 4.720 40 0 GJABHN CNc1ncccc1CN1CCC[C@@H](c2cccc(-c3ccc(OC)cc3)n2)C1 ZINC000072350259 205330607 /nfs/dbraw/zinc/33/06/07/205330607.db2.gz RLAMCRBCSZSYID-LJQANCHMSA-N 0 3 388.515 4.574 40 0 GJABHN NC(=O)c1sc2ccccc2c1[C@H]1CCN(Cc2ccc3ncccc3c2)C1 ZINC000072352455 205332505 /nfs/dbraw/zinc/33/25/05/205332505.db2.gz VEKXVWZOXNJZCY-KRWDZBQOSA-N 0 3 387.508 4.538 40 0 GJABHN Cc1cccc(CN2CCC(C(=O)Nc3ccc(Cc4ccncc4)cc3)CC2)c1 ZINC000224529526 206022418 /nfs/dbraw/zinc/02/24/18/206022418.db2.gz QBFQAPLWRZVSKC-UHFFFAOYSA-N 0 3 399.538 4.832 40 0 GJABHN O=C(Nc1ccc2c3c(cccc31)CC2)C1CCN(Cc2ccc(F)cc2)CC1 ZINC000224553833 206024292 /nfs/dbraw/zinc/02/42/92/206024292.db2.gz PDHRNSNRHBNZKR-UHFFFAOYSA-N 0 3 388.486 4.928 40 0 GJABHN CCN(CC)Cc1ccccc1NC(=O)c1ccc2[nH]c(C(F)(F)F)nc2c1 ZINC000072391797 211109264 /nfs/dbraw/zinc/10/92/64/211109264.db2.gz XSCSNYCXMLSABU-UHFFFAOYSA-N 0 3 390.409 4.676 40 0 GJABHN COc1cccc(CN2CCC[C@H](c3nnc(-c4ccc(C)s4)o3)C2)c1OC ZINC000072390100 211108149 /nfs/dbraw/zinc/10/81/49/211108149.db2.gz APPIUCMPMYRERG-INIZCTEOSA-N 0 3 399.516 4.503 40 0 GJABHN COc1ccc(CN2CCC[C@@H](c3nccnc3-c3ccccc3OC)C2)cc1 ZINC000072358399 211099623 /nfs/dbraw/zinc/09/96/23/211099623.db2.gz CQKRFZKGDNERKT-LJQANCHMSA-N 0 3 389.499 4.540 40 0 GJABHN COc1ccc(CN2CCC[C@@H](c3nccnc3-c3ccccc3F)C2)cc1 ZINC000072358395 211099376 /nfs/dbraw/zinc/09/93/76/211099376.db2.gz ZFEMHVWTPHHAEI-GOSISDBHSA-N 0 3 377.463 4.671 40 0 GJABHN CNc1ncccc1CN1CCC[C@@H](c2cccc(Cc3ccccc3F)n2)C1 ZINC000072350264 211097750 /nfs/dbraw/zinc/09/77/50/211097750.db2.gz HIDBSNPKYLCCFO-LJQANCHMSA-N 0 3 390.506 4.628 40 0 GJABHN Cc1c(CN2CCC(c3cc(Cc4ccc(F)cc4)cc(C)n3)CC2)cnn1C ZINC000019691702 210282088 /nfs/dbraw/zinc/28/20/88/210282088.db2.gz RBMJMARYOFWKHB-UHFFFAOYSA-N 0 3 392.522 4.541 40 0 GJABHN Cc1nn(-c2ccc(F)cc2)c(C)c1[C@@H]1C=C[C@@H](NCc2ccc(F)cc2)C1 ZINC000012603352 560213294 /nfs/dbraw/zinc/21/32/94/560213294.db2.gz MJGVZXMNPTYZSH-WIYYLYMNSA-N 0 3 379.454 4.969 40 0 biogenic,in-vitro GJABHN CCOc1cc(CNC[C@H](O)c2ccccc2)ccc1OCc1cccs1 ZINC000022076366 570320878 /nfs/dbraw/zinc/32/08/78/570320878.db2.gz PCJBQSFDISSIMS-FQEVSTJZSA-N 0 3 383.513 4.549 40 0 GJABHN CCN(CC)CCOC(=O)[C@](O)(C1CCCCC1)[C@H]1[C@H](C)CC[C@H](C)[C@@H]1C ZINC000005047944 570425808 /nfs/dbraw/zinc/42/58/08/570425808.db2.gz KGSXORVANNQUIT-YJMSJCLFSA-N 0 3 381.601 4.501 40 0 GJABHN C[C@H](CNC(=O)c1ccc(CN2CCc3ccccc3C2)cc1)c1ccccc1 ZINC000223415389 570464920 /nfs/dbraw/zinc/46/49/20/570464920.db2.gz XTCWMGJXGKXNPS-HXUWFJFHSA-N 0 3 384.523 4.778 40 0 GJABHN Cc1ccccc1-c1nnc(SCCN2CCCCC2)n1-c1ccccc1 ZINC000000877866 570504131 /nfs/dbraw/zinc/50/41/31/570504131.db2.gz SBPASICKMWTBNC-UHFFFAOYSA-N 0 3 378.545 4.821 40 0 GJABHN Cc1ccc(NC(=S)NC2CCN(Cc3cccs3)CC2)c(Cl)c1 ZINC000225229933 570558197 /nfs/dbraw/zinc/55/81/97/570558197.db2.gz LUXVUERUWSMVSU-UHFFFAOYSA-N 0 3 379.982 4.661 40 0 GJABHN O=C(Nc1ccc(Br)cc1F)c1ccc(CN2CCCCC2)cc1 ZINC000010328866 570569324 /nfs/dbraw/zinc/56/93/24/570569324.db2.gz ALYRIYFESWNXBQ-UHFFFAOYSA-N 0 3 391.284 4.826 40 0 GJABHN C[C@H]1Cc2ccccc2N1C(=O)c1ccc(CN2CCc3ccccc3C2)cc1 ZINC000013673394 570771216 /nfs/dbraw/zinc/77/12/16/570771216.db2.gz WKILMXLQDSHLIU-IBGZPJMESA-N 0 3 382.507 4.836 40 0 GJABHN COc1ccc(C(C)(C)C)cc1CN1C[C@H]2CCC[C@@H](C1)C2(O)c1cccnc1 ZINC000019084423 570956180 /nfs/dbraw/zinc/95/61/80/570956180.db2.gz JOCSVJSQUWGLAR-OFFJZUQKSA-N 0 3 394.559 4.507 40 0 GJABHN O=C(N[C@@H](c1ccccn1)[C@@H]1CCCN(Cc2cccc(Cl)c2)C1)C1CCC1 ZINC000019400629 570982110 /nfs/dbraw/zinc/98/21/10/570982110.db2.gz YJEJBOYWILOFSN-DENIHFKCSA-N 0 3 397.950 4.605 40 0 GJABHN O=C(N[C@@H](c1ccccn1)[C@H]1CCCN(Cc2cccc(Cl)c2)C1)C1CCC1 ZINC000019400632 570982328 /nfs/dbraw/zinc/98/23/28/570982328.db2.gz YJEJBOYWILOFSN-SIKLNZKXSA-N 0 3 397.950 4.605 40 0 GJABHN CCN(CC)C(=O)C[C@H]1CC2(CCN(Cc3ccc(C)o3)CC2)c2ccccc21 ZINC000096053038 571097650 /nfs/dbraw/zinc/09/76/50/571097650.db2.gz XLDQLNFOOOWJOG-FQEVSTJZSA-N 0 3 394.559 4.868 40 0 GJABHN NC[C@@H](c1ccc(/C=C\c2ccccc2)cc1)N1CCN(c2ccccc2)CC1 ZINC000019874844 207168204 /nfs/dbraw/zinc/16/82/04/207168204.db2.gz JUZLLQQOVNWRMW-ZQJVVAQZSA-N 0 3 383.539 4.679 40 0 GJABHN Cc1ccc(S[C@@H](C)C(=O)NCc2ccccc2CN2CCCCC2)cc1 ZINC000024650724 207292917 /nfs/dbraw/zinc/29/29/17/207292917.db2.gz RFBJFEORZOQSRD-IBGZPJMESA-N 0 3 382.573 4.778 40 0 GJABHN FC(F)(F)c1cccc(-c2cncc(C3CCN(Cc4ccccn4)CC3)n2)c1 ZINC000072359436 208002473 /nfs/dbraw/zinc/00/24/73/208002473.db2.gz CJXZCPHELISTOE-UHFFFAOYSA-N 0 3 398.432 4.937 40 0 GJABHN Cc1ccc(CN2CCC3(C[C@H](CC(=O)NCC4CC4)c4ccccc43)CC2)o1 ZINC000096052671 208257021 /nfs/dbraw/zinc/25/70/21/208257021.db2.gz ASKIBQGGIYBFLA-FQEVSTJZSA-N 0 3 392.543 4.525 40 0 GJABHN CCOc1cc(CNC[C@@H]2CCCO2)cc(Cl)c1OCc1ccccc1F ZINC000008254170 221032781 /nfs/dbraw/zinc/03/27/81/221032781.db2.gz KQNBPEYOFZGABN-KRWDZBQOSA-N 0 3 393.886 4.725 40 0 GJABHN Cc1ncc(CN2CCC(c3cc(Nc4ccccn4)cc(C)n3)CC2)s1 ZINC000257316664 209075374 /nfs/dbraw/zinc/07/53/74/209075374.db2.gz VGNAEAUIQVNMES-UHFFFAOYSA-N 0 3 379.533 4.673 40 0 GJABHN CCc1ncc(CN2CCC[C@H](c3cccc(-c4ccc(F)cc4)n3)C2)cn1 ZINC000072350245 222236914 /nfs/dbraw/zinc/23/69/14/222236914.db2.gz XLKAIZQKKYPVMT-IBGZPJMESA-N 0 3 376.479 4.620 40 0 GJABHN COc1ccc(CN2CCC[C@H](c3nccnc3-c3cccc(F)c3)C2)cc1 ZINC000072358396 222239901 /nfs/dbraw/zinc/23/99/01/222239901.db2.gz QCKWRKHNOORXMN-IBGZPJMESA-N 0 3 377.463 4.671 40 0 GJABHN Cc1cc(-c2cncnc2)cc([C@H]2CCCN2Cc2ccnc3ccccc23)n1 ZINC000072372449 222242327 /nfs/dbraw/zinc/24/23/27/222242327.db2.gz AVSYCSILNMRPAX-XMMPIXPASA-N 0 3 381.483 4.732 40 0 GJABHN O=C(C[C@@H]1CC2(CCN(Cc3ccc(F)cc3)CC2)c2ccccc21)NC1CC1 ZINC000096052985 222374437 /nfs/dbraw/zinc/37/44/37/222374437.db2.gz IIJXORWSKQOWMA-LJQANCHMSA-N 0 3 392.518 4.516 40 0 GJABHN Cc1ccc(CN2CCC3(C[C@@H](CC(=O)NCC4CC4)c4ccccc43)CC2)o1 ZINC000096052672 222374622 /nfs/dbraw/zinc/37/46/22/222374622.db2.gz ASKIBQGGIYBFLA-HXUWFJFHSA-N 0 3 392.543 4.525 40 0 GJABHN Cc1ccc2occ(CN(CCCn3ccnc3)C[C@H]3CC=CCC3)c(=O)c2c1 ZINC000019219767 524098055 /nfs/dbraw/zinc/09/80/55/524098055.db2.gz KAMYGRNFWDDCEJ-FQEVSTJZSA-N 0 3 391.515 4.547 40 0 GJABHN Cc1ccc(Cl)c(OC[C@]2(O)CCCN(Cc3ccc4[nH]ccc4c3)C2)c1 ZINC000585271279 570239696 /nfs/dbraw/zinc/23/96/96/570239696.db2.gz VUOWLNUDRNOZMW-QFIPXVFZSA-N 0 3 384.907 4.536 40 0 GJABHN COc1cc(CNC[C@H](O)c2ccccc2)ccc1OCc1ccccc1Cl ZINC000022075106 570305252 /nfs/dbraw/zinc/30/52/52/570305252.db2.gz UFHOGLLBTUQNFZ-NRFANRHFSA-N 0 3 397.902 4.751 40 0 GJABHN C[C@@H](SCc1ccccc1)C(=O)NCc1ccccc1CN1CCCCC1 ZINC000107844634 570311022 /nfs/dbraw/zinc/31/10/22/570311022.db2.gz JGGBSIOVEBDQGG-LJQANCHMSA-N 0 3 382.573 4.611 40 0 GJABHN CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](N5CCOCC5)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000118932766 570369080 /nfs/dbraw/zinc/36/90/80/570369080.db2.gz DSIXHBFXZSSULK-FYSRCPGPSA-N 0 3 387.608 4.935 40 0 GJABHN O=C(NC1C[C@H]2CCC[C@@H](C1)N2Cc1ccc(F)cc1)c1cccc(Cl)c1 ZINC000004887939 570415676 /nfs/dbraw/zinc/41/56/76/570415676.db2.gz BXUPEAIAVQPVLA-SEJPIABJSA-N 0 3 386.898 4.795 40 0 GJABHN CCC(CC)C[C@@H]1CN2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@]1(O)CC ZINC000005063199 570427602 /nfs/dbraw/zinc/42/76/02/570427602.db2.gz XQDQBYIIIBVIBX-QMHWCDLVSA-N 0 3 375.553 4.590 40 0 GJABHN O=C(NCc1cccc2ccccc21)[C@@H]1CCCN(Cc2ccc(F)cc2)C1 ZINC000222889930 570430245 /nfs/dbraw/zinc/43/02/45/570430245.db2.gz PWBCFIGQVZPCNV-OAQYLSRUSA-N 0 3 376.475 4.507 40 0 GJABHN CC[C@@H](Oc1ccc(C)cc1C)C(=O)Nc1ccc(OC2CCN(C)CC2)cc1 ZINC000222975702 570434239 /nfs/dbraw/zinc/43/42/39/570434239.db2.gz AYVLMLDXJPEKAG-JOCHJYFZSA-N 0 3 396.531 4.573 40 0 GJABHN Cc1ccc(CN2CCC(C(=O)N[C@@H](C)c3ccc4c(c3)CCCC4)CC2)cc1 ZINC000222974752 570434357 /nfs/dbraw/zinc/43/43/57/570434357.db2.gz QNWHQJXMYACIJL-FQEVSTJZSA-N 0 3 390.571 4.963 40 0 GJABHN C[C@H](NC(=O)[C@@H]1CCCN(Cc2ccc(F)cc2)C1)c1ccc2c(c1)CCCC2 ZINC000222992997 570435870 /nfs/dbraw/zinc/43/58/70/570435870.db2.gz RAEZAAZRMUJZOP-FDDCHVKYSA-N 0 3 394.534 4.794 40 0 GJABHN Cc1cccc(CN2CCC(C(=O)Nc3ccc(Br)cc3)CC2)c1 ZINC000039753156 570447229 /nfs/dbraw/zinc/44/72/29/570447229.db2.gz DGONQVSCSMECSJ-UHFFFAOYSA-N 0 3 387.321 4.608 40 0 GJABHN C[C@H](NC(=O)[C@@H]1CCCN(Cc2ccccc2Cl)C1)c1ccc2c(c1)CCC2 ZINC000223242555 570452157 /nfs/dbraw/zinc/45/21/57/570452157.db2.gz APEXTNAXSUPPOK-HTAPYJJXSA-N 0 3 396.962 4.918 40 0 GJABHN Cc1cc(C)cc(CSCC(=O)NCc2ccccc2CN2CCCCC2)c1 ZINC000224806569 570531780 /nfs/dbraw/zinc/53/17/80/570531780.db2.gz WBPVYZZDGFABGT-UHFFFAOYSA-N 0 3 396.600 4.839 40 0 GJABHN CC[C@@H](Oc1cccc(C)c1C)C(=O)NCc1ccccc1CN1CCCCC1 ZINC000224837626 570533228 /nfs/dbraw/zinc/53/32/28/570533228.db2.gz WVGPCQJXKCGUHU-HSZRJFAPSA-N 0 3 394.559 4.763 40 0 GJABHN CC[C@@H](Oc1cc(C)ccc1C)C(=O)NCc1ccccc1CN1CCCCC1 ZINC000224837738 570533398 /nfs/dbraw/zinc/53/33/98/570533398.db2.gz AUFUZLOEWBXZKN-HSZRJFAPSA-N 0 3 394.559 4.763 40 0 GJABHN CN1CCC[C@H](CNC(=S)Nc2cc(Cl)ccc2Oc2ccccc2)C1 ZINC000009876520 570562243 /nfs/dbraw/zinc/56/22/43/570562243.db2.gz WSJSILTXEANKKH-OAHLLOKOSA-N 0 3 389.952 4.761 40 0 GJABHN COc1ccc2c(CN(CCCn3ccnc3)Cc3ccc(C)s3)c[nH]c2c1 ZINC000036740414 570568962 /nfs/dbraw/zinc/56/89/62/570568962.db2.gz QXJBMRLNNMBVEA-UHFFFAOYSA-N 0 3 394.544 4.835 40 0 GJABHN CCc1ccc([C@H](C)NC(=O)[C@@H]2CCCN(Cc3ccccc3Cl)C2)cc1 ZINC000225412900 570571609 /nfs/dbraw/zinc/57/16/09/570571609.db2.gz BXCQTOJTKKQVJU-LAUBAEHRSA-N 0 3 384.951 4.992 40 0 GJABHN Cc1nc(-c2ccccc2)c(CC(=O)N2CCCC[C@@H]2CN2CCCCC2)s1 ZINC000012238195 570629471 /nfs/dbraw/zinc/62/94/71/570629471.db2.gz FOSKAZREFDFIQF-HXUWFJFHSA-N 0 3 397.588 4.528 40 0 GJABHN Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)C1CCN(Cc2ccccc2)CC1 ZINC000044855370 570636733 /nfs/dbraw/zinc/63/67/33/570636733.db2.gz HPSABWCOEOQMET-JOCHJYFZSA-N 0 3 392.543 4.626 40 0 GJABHN COc1ccc(CN2CCC[C@]3(CCC(=O)N3Cc3ccc(C)cc3)CC2)cc1 ZINC000585100875 570928679 /nfs/dbraw/zinc/92/86/79/570928679.db2.gz ZWLJDNFTWKQLJH-VWLOTQADSA-N 0 3 392.543 4.551 40 0 GJABHN Cc1ccc(CN(CCCn2ccnc2)CC2=Cc3ccccc3OC2)s1 ZINC000019217147 570961827 /nfs/dbraw/zinc/96/18/27/570961827.db2.gz LHWYIXNQVOAGNH-UHFFFAOYSA-N 0 3 379.529 4.621 40 0 GJABHN Cc1ccc(CN2CCC(c3cc4c(ncn4C)c(-c4ccccc4)n3)CC2)o1 ZINC000096099928 208264905 /nfs/dbraw/zinc/26/49/05/208264905.db2.gz AKPOPECYKSAYOU-UHFFFAOYSA-N 0 3 386.499 4.916 40 0 GJABHN Cc1cc(Nc2ccc(F)cc2)cc([C@@H]2CCN(C(=O)c3ccccc3)C2)n1 ZINC000257311709 209072499 /nfs/dbraw/zinc/07/24/99/209072499.db2.gz UKRPWTLEBJOQRB-GOSISDBHSA-N 0 3 375.447 4.902 40 0 GJABHN CN(C)CCOc1ccc([C@H](c2ccccc2)[C@@H](CCO)c2ccccc2)cc1 ZINC000071625198 222186303 /nfs/dbraw/zinc/18/63/03/222186303.db2.gz LSBUBGBAISEBHG-UIOOFZCWSA-N 0 3 389.539 4.925 40 0 GJABHN c1cnc2cccc(CN3CCC[C@H]3c3cccc(Nc4cnccn4)n3)c2c1 ZINC000072375738 222243082 /nfs/dbraw/zinc/24/30/82/222243082.db2.gz QZDNQPUFOIBCQA-NRFANRHFSA-N 0 3 382.471 4.501 40 0 GJABHN Cc1cc(-c2snnc2[C@H]2CCCN(CC[C@@H](C)c3ccc(C)o3)C2)on1 ZINC000072396705 222251974 /nfs/dbraw/zinc/25/19/74/222251974.db2.gz GYYQDWYCEHWADR-CJNGLKHVSA-N 0 3 386.521 4.776 40 0 GJABHN Cc1ccc(CN2CCC(c3nc4ccc(-c5ccncc5)cn4n3)CC2)s1 ZINC000096038247 222374634 /nfs/dbraw/zinc/37/46/34/222374634.db2.gz YFLOPGMFYJLXJF-UHFFFAOYSA-N 0 3 389.528 4.541 40 0 GJABHN CC(C)NC(=O)C[C@@H]1CC2(CCN(Cc3ccsc3)CC2)Oc2ccccc21 ZINC000096053311 222374905 /nfs/dbraw/zinc/37/49/05/222374905.db2.gz YRJFWSKEAHMOAJ-LJQANCHMSA-N 0 3 398.572 4.564 40 0 GJABHN CCCCC/C=C/C/C=C/C/C=C\C/C=C\CCCC(=O)OC[C@H](N)CO ZINC000214702201 570280609 /nfs/dbraw/zinc/28/06/09/570280609.db2.gz CKNOUMOYIGNOBN-SRNRTSRNSA-N 0 3 377.569 4.995 40 0 GJABHN C[C@H](NCc1ccc(-c2ccc(Br)cc2)o1)[C@H](O)c1ccccc1 ZINC000022076619 570320725 /nfs/dbraw/zinc/32/07/25/570320725.db2.gz VYQBNRUFRDRUFK-XOBRGWDASA-N 0 3 386.289 4.921 40 0 GJABHN CC[C@@H](Oc1cc(C)cc(C)c1)C(=O)Nc1ccc(OC2CCN(C)CC2)cc1 ZINC000223004914 570436978 /nfs/dbraw/zinc/43/69/78/570436978.db2.gz BGSTUFARMDNZMQ-HSZRJFAPSA-N 0 3 396.531 4.573 40 0 GJABHN CC[C@H](Oc1cc(C)cc(C)c1)C(=O)Nc1ccc(OC2CCN(C)CC2)cc1 ZINC000223004973 570437038 /nfs/dbraw/zinc/43/70/38/570437038.db2.gz BGSTUFARMDNZMQ-QHCPKHFHSA-N 0 3 396.531 4.573 40 0 GJABHN O=C(C1CCN(Cc2ccc(F)cc2)CC1)N1CCC(Cc2ccccc2)CC1 ZINC000039766796 570446200 /nfs/dbraw/zinc/44/62/00/570446200.db2.gz ZPQRWJITPGWSMB-UHFFFAOYSA-N 0 3 394.534 4.519 40 0 GJABHN Cc1cccc(NC(=O)CN2CCC(c3nc4ccc(Cl)cc4[nH]3)CC2)c1C ZINC000035291766 570460545 /nfs/dbraw/zinc/46/05/45/570460545.db2.gz AMCGJELAQIOBNS-UHFFFAOYSA-N 0 3 396.922 4.651 40 0 GJABHN COc1ccc([C@H](CN(C)C)OC(=O)C(c2ccccc2)c2ccccc2)cc1 ZINC000006437116 570479923 /nfs/dbraw/zinc/47/99/23/570479923.db2.gz UCYAFVHTCDZUMO-QHCPKHFHSA-N 0 3 389.495 4.673 40 0 GJABHN CC(C)(C)c1ccc(OCCNC(=O)c2ccc(CN3CCCCC3)cc2)cc1 ZINC000224096181 570498392 /nfs/dbraw/zinc/49/83/92/570498392.db2.gz VKBLKDXEVALACF-UHFFFAOYSA-N 0 3 394.559 4.779 40 0 GJABHN Cc1ccc(CN2CCC(C(=O)Nc3ccc(Cc4ccncc4)cc3)CC2)cc1 ZINC000224531550 570516676 /nfs/dbraw/zinc/51/66/76/570516676.db2.gz FMNHXYMIQLYVCM-UHFFFAOYSA-N 0 3 399.538 4.832 40 0 GJABHN COc1cccc(CNCCc2ccc(F)cc2)c1OCc1ccccc1F ZINC000008495658 570532854 /nfs/dbraw/zinc/53/28/54/570532854.db2.gz CXTBOGVZCOQQEL-UHFFFAOYSA-N 0 3 383.438 4.885 40 0 GJABHN CCc1ccc(O[C@@H](CC)C(=O)NCc2ccccc2CN2CCCCC2)cc1 ZINC000224849776 570534324 /nfs/dbraw/zinc/53/43/24/570534324.db2.gz VQVDKYCHRDOKPG-DEOSSOPVSA-N 0 3 394.559 4.709 40 0 GJABHN Cc1ccc(CN(CCCn2ccnc2)Cc2ccccc2N2CCCCC2)o1 ZINC000036740287 570568642 /nfs/dbraw/zinc/56/86/42/570568642.db2.gz IRAFUZYGOLSGSK-UHFFFAOYSA-N 0 3 392.547 4.867 40 0 GJABHN Fc1cccc(CN(CCCn2ccnc2)Cc2ccccc2N2CCCC2)c1 ZINC000036740198 570568842 /nfs/dbraw/zinc/56/88/42/570568842.db2.gz QAOGDQMDBVJIIU-UHFFFAOYSA-N 0 3 392.522 4.715 40 0 GJABHN O=C(Nc1cc(Cl)cc(Cl)c1)[C@@H]1CCCN(Cc2ccc(F)cc2)C1 ZINC000038835023 570586472 /nfs/dbraw/zinc/58/64/72/570586472.db2.gz OFBHPVSDSYDYFY-CQSZACIVSA-N 0 3 381.278 4.983 40 0 GJABHN O=C(Nc1cc(Cl)ccc1Cl)[C@@H]1CCCN(Cc2ccc(F)cc2)C1 ZINC000038835504 570586603 /nfs/dbraw/zinc/58/66/03/570586603.db2.gz MFWSIRPZHTXAQI-CQSZACIVSA-N 0 3 381.278 4.983 40 0 GJABHN COc1ccc(CN2[C@@H]3CCC[C@H]2CC(NC(=O)Nc2ccccc2C)C3)cc1 ZINC000004887952 570642657 /nfs/dbraw/zinc/64/26/57/570642657.db2.gz FMLBJFYOCYDRPC-SEJPIABJSA-N 0 3 393.531 4.711 40 0 GJABHN CC1CCN(Cc2ccc(C(=O)N[C@H]3CC(C)(C)Oc4ccccc43)cc2)CC1 ZINC000044918612 570643379 /nfs/dbraw/zinc/64/33/79/570643379.db2.gz BTRYEOPZMYGFHE-QFIPXVFZSA-N 0 3 392.543 4.951 40 0 GJABHN CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)[C@@H]1CN(C)CC[C@H]1c1ccc(F)cc1 ZINC000257353594 570785425 /nfs/dbraw/zinc/78/54/25/570785425.db2.gz RZVKAWNUVBFUSF-RECXWPGBSA-N 0 3 375.528 4.865 40 0 GJABHN CC(C)c1cc(C(=O)N(C)C2CCC3(CC2)CNCc2ccccc2O3)cs1 ZINC000019452166 570985657 /nfs/dbraw/zinc/98/56/57/570985657.db2.gz FBMIROVYXWDTSA-UHFFFAOYSA-N 0 3 398.572 4.807 40 0 GJABHN CCCc1cc(C(=O)N(C)C2CCC3(CC2)CNCc2ccccc2O3)cs1 ZINC000019525237 570996926 /nfs/dbraw/zinc/99/69/26/570996926.db2.gz OIKHVISEYTULHM-UHFFFAOYSA-N 0 3 398.572 4.636 40 0 GJABHN COCCn1cc(CNC2(c3cccc(OC)c3)CCCC2)c2ccccc21 ZINC000019594214 571020411 /nfs/dbraw/zinc/02/04/11/571020411.db2.gz HPEBXCCORVPGSJ-UHFFFAOYSA-N 0 3 378.516 4.855 40 0 GJABHN CCCOc1c(CN2CCC[C@H](c3cc4cccnc4[nH]3)C2)cccc1OC ZINC000019503804 207126528 /nfs/dbraw/zinc/12/65/28/207126528.db2.gz SDKFYORYJCSWFG-SFHVURJKSA-N 0 3 379.504 4.740 40 0 GJABHN O=C(C[C@H]1CC2(CCN(Cc3ccsc3)CC2)c2ccccc21)NC1CCC1 ZINC000096052746 208255684 /nfs/dbraw/zinc/25/56/84/208255684.db2.gz KPVWNSHISKWAKO-IBGZPJMESA-N 0 3 394.584 4.828 40 0 GJABHN COc1c(Br)cc(Br)cc1CNCCc1ccccc1 ZINC000022074320 208830799 /nfs/dbraw/zinc/83/07/99/208830799.db2.gz OPBRKRLWAIZSNE-UHFFFAOYSA-N 0 3 399.126 4.553 40 0 GJABHN Cc1cc(Nc2ccc(F)cc2)cc([C@@H]2CCCN(CC3=CCCOC3)C2)n1 ZINC000257244237 209059728 /nfs/dbraw/zinc/05/97/28/209059728.db2.gz IKLVLFUMNZSNCU-LJQANCHMSA-N 0 3 381.495 4.799 40 0 GJABHN Cc1nn(-c2ccccc2)c2nc(Cl)c(CNCCc3ccc(F)cc3)cc12 ZINC000257281045 209066277 /nfs/dbraw/zinc/06/62/77/209066277.db2.gz ONKGVJSZHZBSGJ-UHFFFAOYSA-N 0 3 394.881 4.854 40 0 GJABHN Fc1ccc(CN2CC[C@@H](c3nc(-c4cccc(C(F)(F)F)c4)no3)C2)cc1 ZINC000072369951 222240879 /nfs/dbraw/zinc/24/08/79/222240879.db2.gz MBGQNXMQJQTBGM-OAHLLOKOSA-N 0 3 391.368 4.884 40 0 GJABHN COc1cc(C)ccc1CN1CCC[C@H]1c1cc(Nc2cnccn2)cc(C)n1 ZINC000072372693 222242501 /nfs/dbraw/zinc/24/25/01/222242501.db2.gz NNFIVAHGTZFMEZ-NRFANRHFSA-N 0 3 389.503 4.578 40 0 GJABHN CC(C)(C)c1ccc(C(=O)N2CCC[C@H](N3CCc4ccccc4C3)C2)cc1 ZINC000408608969 526762400 /nfs/dbraw/zinc/76/24/00/526762400.db2.gz NGSLUAZTRAEQJZ-QHCPKHFHSA-N 0 3 376.544 4.647 40 0 GJABHN COc1ccccc1CN1CC[C@H](c2nc3cc(C(F)(F)F)ccc3[nH]2)C1 ZINC000035446693 560079519 /nfs/dbraw/zinc/07/95/19/560079519.db2.gz AKQAEKYPGHBDNS-AWEZNQCLSA-N 0 3 375.394 4.580 40 0 biogenic,in-vitro GJABHN Clc1ccc(CN2CC[C@H](c3nnc(Cc4c[nH]c5ccccc45)o3)C2)cc1 ZINC000049169736 560084156 /nfs/dbraw/zinc/08/41/56/560084156.db2.gz HOTNVPGVFJKFOD-INIZCTEOSA-N 0 3 392.890 4.785 40 0 biogenic,in-vitro GJABHN COc1cc(CN[C@@H](C)[C@H](O)c2ccccc2)ccc1OCc1cccs1 ZINC000022076389 570320817 /nfs/dbraw/zinc/32/08/17/570320817.db2.gz SXHDONGRNUFPEX-AOMKIAJQSA-N 0 3 383.513 4.547 40 0 GJABHN O=C(N[C@@H]1CCCc2ccccc21)[C@H]1CCCN(Cc2ccccc2Cl)C1 ZINC000044932901 570322471 /nfs/dbraw/zinc/32/24/71/570322471.db2.gz FSDONOWWWAUSTK-SIKLNZKXSA-N 0 3 382.935 4.746 40 0 GJABHN COc1cc2c(cc1OC)[C@@H](Cc1ccc(OCc3ccccc3)cc1)NCC2 ZINC000003847482 570352038 /nfs/dbraw/zinc/35/20/38/570352038.db2.gz UABRBWMZIRBFFZ-HSZRJFAPSA-N 0 3 389.495 4.712 40 0 GJABHN Cc1ccccc1NC(=S)NC1C[C@H]2CCC[C@@H](C1)N2Cc1ccccc1 ZINC000035289196 570453063 /nfs/dbraw/zinc/45/30/63/570453063.db2.gz MFEZQZGVFAWMQQ-SEJPIABJSA-N 0 3 379.573 4.867 40 0 GJABHN Cc1cccc(NC(=S)NC2C[C@H]3CCC[C@@H](C2)N3Cc2ccccc2)c1 ZINC000035311818 570467199 /nfs/dbraw/zinc/46/71/99/570467199.db2.gz MNOXHWFDLVMUCP-FRIKZZABSA-N 0 3 379.573 4.867 40 0 GJABHN CC(C)c1ccccc1OCCNC(=O)c1ccc(CN2CCC(C)CC2)cc1 ZINC000223786105 570484801 /nfs/dbraw/zinc/48/48/01/570484801.db2.gz MBYCPLXPLXCMNX-UHFFFAOYSA-N 0 3 394.559 4.851 40 0 GJABHN CCOc1cc(CNCc2ccc(OC)cc2)ccc1OCc1ccccc1 ZINC000007538368 570507526 /nfs/dbraw/zinc/50/75/26/570507526.db2.gz WESADXHODUGSOQ-UHFFFAOYSA-N 0 3 377.484 4.963 40 0 GJABHN CCc1ccc([C@@H](C)NC(=O)[C@@H]2CCCN(Cc3ccccc3Cl)C2)cc1 ZINC000225412862 570571563 /nfs/dbraw/zinc/57/15/63/570571563.db2.gz BXCQTOJTKKQVJU-DYESRHJHSA-N 0 3 384.951 4.992 40 0 GJABHN O=C(Nc1ccc(OCCN2CCCC2)cc1)C1(c2ccccc2)CCCC1 ZINC000225503381 570581056 /nfs/dbraw/zinc/58/10/56/570581056.db2.gz JCRMXFDJAYFVPO-UHFFFAOYSA-N 0 3 378.516 4.612 40 0 GJABHN O=C(Nc1cccc(C(F)(F)F)c1)[C@H]1CCCN(Cc2ccc(F)cc2)C1 ZINC000038834712 570586417 /nfs/dbraw/zinc/58/64/17/570586417.db2.gz KJJBFAITBKZXBC-HNNXBMFYSA-N 0 3 380.385 4.695 40 0 GJABHN O=C(Nc1cc(Cl)ccc1Cl)[C@H]1CCCN(Cc2ccc(F)cc2)C1 ZINC000038835501 570586640 /nfs/dbraw/zinc/58/66/40/570586640.db2.gz MFWSIRPZHTXAQI-AWEZNQCLSA-N 0 3 381.278 4.983 40 0 GJABHN CCCOC(CC(C)C)(CC(C)C)C(=O)Nc1ccc(OCCN(C)C)cc1 ZINC000225741944 570611898 /nfs/dbraw/zinc/61/18/98/570611898.db2.gz RATNTGREECLFNJ-UHFFFAOYSA-N 0 3 392.584 4.823 40 0 GJABHN CC[C@H](NC(=O)c1ccc(CN2CCCCC2)cc1)c1ccc(OC)c(C)c1 ZINC000225879562 570629941 /nfs/dbraw/zinc/62/99/41/570629941.db2.gz SGYAPNBGNVAISH-QFIPXVFZSA-N 0 3 380.532 4.871 40 0 GJABHN O[C@H](CN1CCC(O)(c2ccc(F)cc2)CC1)c1ccc(-c2ccccc2)cc1 ZINC000012292153 570633362 /nfs/dbraw/zinc/63/33/62/570633362.db2.gz JFZDDZLIKOZMOM-XMMPIXPASA-N 0 3 391.486 4.510 40 0 GJABHN Cc1ccc(CN2[C@@H]3CCC[C@H]2CC(NC(=S)Nc2ccccc2)C3)cc1 ZINC000004857231 570638489 /nfs/dbraw/zinc/63/84/89/570638489.db2.gz ZNKVDBASFUVEAO-FRIKZZABSA-N 0 3 379.573 4.867 40 0 GJABHN Cc1ccc(NC(=O)NC2C[C@H]3CCC[C@@H](C2)N3Cc2ccc(F)cc2)cc1 ZINC000004883088 570642552 /nfs/dbraw/zinc/64/25/52/570642552.db2.gz VRTWXMPXKIDZJL-FRIKZZABSA-N 0 3 381.495 4.841 40 0 GJABHN CC(C)Oc1cccc(CCCNC(=O)c2ccc(CN3CCCCC3)cc2)c1 ZINC000044916227 570642989 /nfs/dbraw/zinc/64/29/89/570642989.db2.gz HJTJUQANTRZYKT-UHFFFAOYSA-N 0 3 394.559 4.822 40 0 GJABHN Cc1cc(C)cc(NC(=O)CN2CCC(c3nc4ccc(Cl)cc4[nH]3)CC2)c1 ZINC000005625879 570665341 /nfs/dbraw/zinc/66/53/41/570665341.db2.gz DIQPSCCLHCRPMM-UHFFFAOYSA-N 0 3 396.922 4.651 40 0 GJABHN CN(Cc1ccccc1)C(=O)[C@@H]1CCCN(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000066136427 570776879 /nfs/dbraw/zinc/77/68/79/570776879.db2.gz UYYRGUHHPKHWTR-LJQANCHMSA-N 0 3 390.449 4.576 40 0 GJABHN COc1ccccc1CN1CCC(c2cc(C(F)F)c3c(C)noc3n2)CC1 ZINC000019565074 571007427 /nfs/dbraw/zinc/00/74/27/571007427.db2.gz MSVQYYSTJRKBCD-UHFFFAOYSA-N 0 3 387.430 4.857 40 0 GJABHN COc1cccc(CN2CCC(c3cc(C(F)F)c4c(C)noc4n3)CC2)c1 ZINC000019565044 207136389 /nfs/dbraw/zinc/13/63/89/207136389.db2.gz STGCGYVWPIZCSV-UHFFFAOYSA-N 0 3 387.430 4.857 40 0 GJABHN Cc1noc2nc(C3CCN(Cc4ccccc4F)CC3)cc(C(F)F)c12 ZINC000019565068 207136429 /nfs/dbraw/zinc/13/64/29/207136429.db2.gz IXOBZWSUEBGPBX-UHFFFAOYSA-N 0 3 375.394 4.988 40 0 GJABHN CCOc1cc(CN2[C@@H]3CC[C@H]2CC(O)(c2ccc(F)cc2)C3)c(C)cc1OC ZINC000019531791 207131473 /nfs/dbraw/zinc/13/14/73/207131473.db2.gz SMDFUIRWMAZQNF-SVGJNIJCSA-N 0 3 399.506 4.556 40 0 GJABHN COc1cccc(CNC[C@@H](O)c2ccccc2)c1OCc1ccc(Cl)cc1 ZINC000022075174 207245814 /nfs/dbraw/zinc/24/58/14/207245814.db2.gz NBTSOSDJMLMEDT-OAQYLSRUSA-N 0 3 397.902 4.751 40 0 GJABHN Cc1ccc(CCCNC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)cc1 ZINC000022913629 207263287 /nfs/dbraw/zinc/26/32/87/207263287.db2.gz RPDPJEVBBBNHBL-UHFFFAOYSA-N 0 3 398.550 4.916 40 0 GJABHN O=C(Nc1ccc(Cl)c(Cl)c1)[C@H]1CCCN(Cc2ccc(F)cc2)C1 ZINC000030938705 207377969 /nfs/dbraw/zinc/37/79/69/207377969.db2.gz OKEOLCWRQWFMRF-AWEZNQCLSA-N 0 3 381.278 4.983 40 0 GJABHN CC(C)Oc1cccc(NC(=O)[C@H]2CCCN(Cc3ccccc3Cl)C2)c1 ZINC000030940313 207378480 /nfs/dbraw/zinc/37/84/80/207378480.db2.gz AHUZJSCLJCATHV-SFHVURJKSA-N 0 3 386.923 4.978 40 0 GJABHN FC(F)(F)c1cccc(-c2cncc([C@H]3CCCN(Cc4cccnc4)C3)n2)c1 ZINC000072359409 208003154 /nfs/dbraw/zinc/00/31/54/208003154.db2.gz SJVQDJJZMCHRCP-SFHVURJKSA-N 0 3 398.432 4.937 40 0 GJABHN CC(C)c1nccn1-c1cccc([C@H]2CCCN(Cc3ccc(F)cc3)C2)n1 ZINC000072379080 208011026 /nfs/dbraw/zinc/01/10/26/208011026.db2.gz MZYSYGWIESMKIX-IBGZPJMESA-N 0 3 378.495 4.909 40 0 GJABHN c1coc(CN[C@@H]2CC3(CCN(Cc4nccs4)CC3)c3ccccc32)c1 ZINC000096079059 208261941 /nfs/dbraw/zinc/26/19/41/208261941.db2.gz PZDGVHBAGBEZJN-HXUWFJFHSA-N 0 3 379.529 4.505 40 0 GJABHN Cn1cc(-c2ccc([C@@H]3CCCCN3Cc3ccnc4ccccc34)cn2)cn1 ZINC000257207091 209055170 /nfs/dbraw/zinc/05/51/70/209055170.db2.gz BGHBNJOQLQIAIC-DEOSSOPVSA-N 0 3 383.499 4.758 40 0 GJABHN Cc1nc(-c2ccccc2)c(CC(=O)N2CCCC[C@H]2CN2CCCCC2)s1 ZINC000012238197 221171500 /nfs/dbraw/zinc/17/15/00/221171500.db2.gz FOSKAZREFDFIQF-FQEVSTJZSA-N 0 3 397.588 4.528 40 0 GJABHN CCN(CC)C(=O)C[C@@H]1CC2(CCN(Cc3ccc(C)o3)CC2)c2ccccc21 ZINC000096053037 222374531 /nfs/dbraw/zinc/37/45/31/222374531.db2.gz XLDQLNFOOOWJOG-HXUWFJFHSA-N 0 3 394.559 4.868 40 0 GJABHN CC(C)(C)c1ccc(C(=O)N2CCC(N3CCc4ccccc4C3)CC2)cc1 ZINC000408610694 526762592 /nfs/dbraw/zinc/76/25/92/526762592.db2.gz RKVVPJXGJOXQKK-UHFFFAOYSA-N 0 3 376.544 4.647 40 0 GJABHN CCCCOc1ccc(C(=O)N2CCC[C@@H](N3CCc4ccccc4C3)C2)cc1 ZINC000408609810 528658897 /nfs/dbraw/zinc/65/88/97/528658897.db2.gz OWWHEJWSKNROEL-HSZRJFAPSA-N 0 3 392.543 4.528 40 0 GJABHN Cc1cccc(CN2CCC(C(=O)Nc3ccccc3C(F)(F)F)CC2)c1 ZINC000039750078 570447270 /nfs/dbraw/zinc/44/72/70/570447270.db2.gz BHZUDYIOJPPQCV-UHFFFAOYSA-N 0 3 376.422 4.865 40 0 GJABHN CCc1ccc(CC)c(CNC(=O)C2CCN(Cc3ccc(C)cc3)CC2)c1 ZINC000223606701 570474223 /nfs/dbraw/zinc/47/42/23/570474223.db2.gz YVFRCMXVYRDPJY-UHFFFAOYSA-N 0 3 378.560 4.648 40 0 GJABHN Cc1cc(OC[C@@]2(O)CCCN(Cc3ccc4[nH]ccc4c3)C2)cc(C)c1Cl ZINC000257219580 570487089 /nfs/dbraw/zinc/48/70/89/570487089.db2.gz DHHXERCDPWTJRH-HSZRJFAPSA-N 0 3 398.934 4.844 40 0 GJABHN COC1(COc2cccc(Cl)c2)CCN(Cc2ccc3[nH]ccc3c2)CC1 ZINC000257300985 570488667 /nfs/dbraw/zinc/48/86/67/570488667.db2.gz RWLIHUVXNLGCRA-UHFFFAOYSA-N 0 3 384.907 4.881 40 0 GJABHN Cc1ccc(C(C)C)c(OCC(=O)Nc2ccc(OC3CCN(C)CC3)cc2)c1 ZINC000224175594 570502265 /nfs/dbraw/zinc/50/22/65/570502265.db2.gz HPLPLHUUUZCDMP-UHFFFAOYSA-N 0 3 396.531 4.609 40 0 GJABHN COc1ccc(CNCc2ccc(OCc3cccc(C)c3)c(OC)c2)cc1 ZINC000007538565 570507766 /nfs/dbraw/zinc/50/77/66/570507766.db2.gz SGDBJISZKCOTQL-UHFFFAOYSA-N 0 3 377.484 4.881 40 0 GJABHN CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)NCc1ccccc1CN1CCCCC1 ZINC000224837192 570533271 /nfs/dbraw/zinc/53/32/71/570533271.db2.gz FCYRRCPHDBQUHF-XMMPIXPASA-N 0 3 394.559 4.763 40 0 GJABHN O=C(CCSCc1ccccc1)NCc1ccccc1CN1CCCCC1 ZINC000224831888 570533380 /nfs/dbraw/zinc/53/33/80/570533380.db2.gz FEARNFNRDKGQOA-UHFFFAOYSA-N 0 3 382.573 4.612 40 0 GJABHN O=C(Nc1ccc(OC(F)(F)F)cc1)c1ccc(CN2CCCCC2)cc1 ZINC000224872820 570535588 /nfs/dbraw/zinc/53/55/88/570535588.db2.gz CIGQJPIKMDEMAU-UHFFFAOYSA-N 0 3 378.394 4.823 40 0 GJABHN CC(C)[C@@H](C)NC(=O)c1ccc(CN2CCC(Cc3ccccc3)CC2)cc1 ZINC000225222569 570557462 /nfs/dbraw/zinc/55/74/62/570557462.db2.gz ZYNJFFAVHCAEFF-HXUWFJFHSA-N 0 3 378.560 4.916 40 0 GJABHN Cc1ccc(CN(CCCn2ccnc2)Cc2cccc(C(F)(F)F)c2)o1 ZINC000036740246 570568807 /nfs/dbraw/zinc/56/88/07/570568807.db2.gz XSFAZTHSUFQQHK-UHFFFAOYSA-N 0 3 377.410 4.896 40 0 GJABHN O=C(Nc1ccc(C(F)(F)F)cc1)[C@@H]1CCCN(Cc2ccc(F)cc2)C1 ZINC000038860395 570589100 /nfs/dbraw/zinc/58/91/00/570589100.db2.gz OXPWPZHWLXTOPB-OAHLLOKOSA-N 0 3 380.385 4.695 40 0 GJABHN CCCCC[C@](C)(OCC)C(=O)Nc1ccc(OCCN2CCCCC2)cc1 ZINC000225703002 570606066 /nfs/dbraw/zinc/60/60/66/570606066.db2.gz QVCYSODXJMAESH-QHCPKHFHSA-N 0 3 390.568 4.865 40 0 GJABHN O=C(Nc1ccc(CN2CCCCC2)cc1)c1ncoc1-c1ccccc1F ZINC000012115143 570610539 /nfs/dbraw/zinc/61/05/39/570610539.db2.gz QIZOAYXDKGESSC-UHFFFAOYSA-N 0 3 379.435 4.719 40 0 GJABHN CC(C)(Cc1ccccc1)NC(=O)[C@H]1CCCN(Cc2ccccc2Cl)C1 ZINC000225817658 570621207 /nfs/dbraw/zinc/62/12/07/570621207.db2.gz PNCMNVKGGJHODW-FQEVSTJZSA-N 0 3 384.951 4.690 40 0 GJABHN CCCOc1c(CN2[C@@H]3CC[C@H]2CC(O)(c2ccc(F)cc2)C3)cccc1OC ZINC000012238107 570629558 /nfs/dbraw/zinc/62/95/58/570629558.db2.gz MMLGORPRSIBPGY-SVGJNIJCSA-N 0 3 399.506 4.638 40 0 GJABHN CC[C@H](NC(=O)C1CCN(Cc2ccc(F)cc2)CC1)c1ccc(C)cc1C ZINC000044856685 570636972 /nfs/dbraw/zinc/63/69/72/570636972.db2.gz RXFMSNFIFSEEHE-QHCPKHFHSA-N 0 3 382.523 4.922 40 0 GJABHN Cc1ccc(C)c(NC(=S)NC2C[C@H]3CCC[C@@H](C2)N3Cc2ccco2)c1 ZINC000004857265 570638477 /nfs/dbraw/zinc/63/84/77/570638477.db2.gz SZKFQMLYXCHMDH-YQQQUEKLSA-N 0 3 383.561 4.769 40 0 GJABHN CC(C)C[C@@H](NC(=O)[C@@H]1CCCN(Cc2ccc(F)cc2)C1)c1ccccc1 ZINC000044936780 570644275 /nfs/dbraw/zinc/64/42/75/570644275.db2.gz HQUZGCIFWTXAGL-FYYLOGMGSA-N 0 3 382.523 4.941 40 0 GJABHN CCOc1cc(CNC2CC2)cc(Br)c1OCc1ccccc1F ZINC000008254129 570765905 /nfs/dbraw/zinc/76/59/05/570765905.db2.gz FLONZCSIQGLEQD-UHFFFAOYSA-N 0 3 394.284 4.818 40 0 GJABHN C[C@@H]1Cc2ccccc2N1C(=O)c1ccc(CN2CCc3ccccc3C2)cc1 ZINC000013673392 570771338 /nfs/dbraw/zinc/77/13/38/570771338.db2.gz WKILMXLQDSHLIU-LJQANCHMSA-N 0 3 382.507 4.836 40 0 GJABHN Fc1ccccc1OCCN1CCC(c2cccc(Nc3ccccn3)n2)CC1 ZINC000257285152 570775934 /nfs/dbraw/zinc/77/59/34/570775934.db2.gz PFWJTLPORNEGRK-UHFFFAOYSA-N 0 3 392.478 4.618 40 0 GJABHN C(=C/c1nc2ccccc2nc1CCN1CCCCC1)\c1ccc2c(c1)OCO2 ZINC000004582055 570985641 /nfs/dbraw/zinc/98/56/41/570985641.db2.gz XYCLCYCLXNYJOP-CSKARUKUSA-N 0 3 387.483 4.557 40 0 GJABHN O=c1ccc(-c2ccccc2)c2n1C[C@H]1C[C@@H]2CN(Cc2cc3ccccc3o2)C1 ZINC000020503553 575370245 /nfs/dbraw/zinc/37/02/45/575370245.db2.gz NPDGUSAMLLYMFK-GHTZIAJQSA-N 0 3 396.490 4.881 40 0 biogenic,in-vitro GJABHN COc1ccc(CN(Cc2ccncc2)[C@@H]2CCC[C@H]2Cc2cc(C)no2)cc1 ZINC000019120460 207102752 /nfs/dbraw/zinc/10/27/52/207102752.db2.gz AJUDSRFLFFHJNG-XUZZJYLKSA-N 0 3 391.515 4.800 40 0 GJABHN FC(F)(F)c1cccc(-c2noc([C@H]3CCN(Cc4ccsc4)C3)n2)c1 ZINC000072369974 208005468 /nfs/dbraw/zinc/00/54/68/208005468.db2.gz CANPQIBYXQVHND-AWEZNQCLSA-N 0 3 379.407 4.806 40 0 GJABHN c1csc(CN2CCC(c3nc4ccc(Nc5ccccc5)cn4n3)CC2)c1 ZINC000096038315 208256724 /nfs/dbraw/zinc/25/67/24/208256724.db2.gz UNNISRPSBOOCHU-UHFFFAOYSA-N 0 3 389.528 4.914 40 0 GJABHN COc1ccc2c(c1Oc1ccccc1)[C@@]13CCN(C)[C@@H](C2)C1=CC=C(OC)C3 ZINC000096316423 208306483 /nfs/dbraw/zinc/30/64/83/208306483.db2.gz WZTKOQWLQWUDKG-SQJMNOBHSA-N 0 3 389.495 4.846 40 0 biogenic,in-vitro GJABHN C[C@@H](NC(=O)C1CCN(Cc2ccccc2)CC1)c1ccc2c(c1)CCCC2 ZINC000222974287 208888546 /nfs/dbraw/zinc/88/85/46/208888546.db2.gz FMVZSZDWRNYMCN-LJQANCHMSA-N 0 3 376.544 4.655 40 0 GJABHN COc1ccc(CNCc2ccc(OCc3ccccc3C)c(OC)c2)cc1 ZINC000007538575 221000975 /nfs/dbraw/zinc/00/09/75/221000975.db2.gz QGYFDKKKALJZIC-UHFFFAOYSA-N 0 3 377.484 4.881 40 0 GJABHN CCOc1cc(CN[C@@H](CC)CO)cc(Cl)c1OCc1ccccc1Cl ZINC000008326295 221037357 /nfs/dbraw/zinc/03/73/57/221037357.db2.gz RMTAQUJKUYAEJV-INIZCTEOSA-N 0 3 398.330 4.832 40 0 GJABHN CC(=O)NC1(c2ccccc2F)CCN(Cc2c(C)oc3ccccc32)CC1 ZINC000012328158 221182664 /nfs/dbraw/zinc/18/26/64/221182664.db2.gz NKAIMILGTOPRMA-UHFFFAOYSA-N 0 3 380.463 4.508 40 0 GJABHN CCN(CC)Cc1ccc(C(=O)N2CCCC[C@@H]2c2nc3ccc(C)cc3[nH]2)o1 ZINC000072346793 222233490 /nfs/dbraw/zinc/23/34/90/222233490.db2.gz DXTJZKYTAUIWFO-HXUWFJFHSA-N 0 3 394.519 4.674 40 0 GJABHN NC(=O)c1sc2ccccc2c1[C@@H]1CCN(Cc2ccc3ncccc3c2)C1 ZINC000072352454 222238547 /nfs/dbraw/zinc/23/85/47/222238547.db2.gz VEKXVWZOXNJZCY-QGZVFWFLSA-N 0 3 387.508 4.538 40 0 GJABHN FC(F)(F)c1cccc(-c2cncc([C@@H]3CCCN(Cc4ccccn4)C3)n2)c1 ZINC000072359438 222240024 /nfs/dbraw/zinc/24/00/24/222240024.db2.gz MLRGLRIYRLWUGR-QGZVFWFLSA-N 0 3 398.432 4.937 40 0 GJABHN CC(C)NC(=O)C[C@@H]1CC2(CCN(Cc3ccsc3)CC2)c2ccccc21 ZINC000096052611 222374920 /nfs/dbraw/zinc/37/49/20/222374920.db2.gz QGVIRXODUYUPKB-LJQANCHMSA-N 0 3 382.573 4.684 40 0 GJABHN CCN(CC)C(=O)C[C@H]1CC2(CCN(Cc3ccoc3)CC2)c2ccccc21 ZINC000096053030 222375231 /nfs/dbraw/zinc/37/52/31/222375231.db2.gz YWPODDQOLOMFPL-FQEVSTJZSA-N 0 3 380.532 4.559 40 0 GJABHN CC(C)C[C@H](NC(=O)[C@H]1CCCN(Cc2ccc(F)cc2)C1)c1ccccc1 ZINC000044936785 570322574 /nfs/dbraw/zinc/32/25/74/570322574.db2.gz HQUZGCIFWTXAGL-GMAHTHKFSA-N 0 3 382.523 4.941 40 0 GJABHN Cc1ccc(CN2CCC(C(=O)N[C@H](C)c3ccc4c(c3)CCC4)CC2)cc1 ZINC000223224150 570451142 /nfs/dbraw/zinc/45/11/42/570451142.db2.gz MEFGYOBTHRPWEC-LJQANCHMSA-N 0 3 376.544 4.573 40 0 GJABHN C[C@@H](CCc1ccccc1)NC(=O)[C@@H]1CCCN(Cc2ccccc2Cl)C1 ZINC000030943674 570501332 /nfs/dbraw/zinc/50/13/32/570501332.db2.gz YOUPGUBFZYNQOW-GHTZIAJQSA-N 0 3 384.951 4.690 40 0 GJABHN CC[C@@H](CO)NCc1cc(Br)ccc1OCc1ccc(Cl)cc1 ZINC000008326310 570528323 /nfs/dbraw/zinc/52/83/23/570528323.db2.gz QUTCLDQQGRXFRC-KRWDZBQOSA-N 0 3 398.728 4.542 40 0 GJABHN COc1ccc(CCNCc2ccccc2OCc2ccccc2F)cc1OC ZINC000008493675 570532788 /nfs/dbraw/zinc/53/27/88/570532788.db2.gz HSLPVXHZGZUFEF-UHFFFAOYSA-N 0 3 395.474 4.754 40 0 GJABHN CCCC[C@](C)(OCC)C(=O)Nc1ccc(OCCN2CCC(C)CC2)cc1 ZINC000225699060 570604968 /nfs/dbraw/zinc/60/49/68/570604968.db2.gz NAZBPFAYDNGPBQ-QHCPKHFHSA-N 0 3 390.568 4.721 40 0 GJABHN CC[C@H](NC(=O)[C@@H]1CCCN(Cc2ccc(F)cc2)C1)c1ccc(C)cc1C ZINC000044856651 570637316 /nfs/dbraw/zinc/63/73/16/570637316.db2.gz JZENEUNVXLQDIP-OFNKIYASSA-N 0 3 382.523 4.922 40 0 GJABHN C[C@@H](NC(=O)[C@H]1CCCN(Cc2ccccc2Cl)C1)c1ccc2c(c1)CCC2 ZINC000260912241 570714007 /nfs/dbraw/zinc/71/40/07/570714007.db2.gz APEXTNAXSUPPOK-VGSWGCGISA-N 0 3 396.962 4.918 40 0 GJABHN CC(C)(C)c1ccc([O-])c(C(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)c1 ZINC000257334589 570783491 /nfs/dbraw/zinc/78/34/91/570783491.db2.gz YGPAMDYWRDSURG-UHFFFAOYSA-N 0 3 394.559 4.996 40 0 GJABHN CN(CCOc1ccc(Cl)cc1)Cc1c2cccnc2[nH]c1[C@@H]1CCCO1 ZINC000019586150 571015766 /nfs/dbraw/zinc/01/57/66/571015766.db2.gz WDVCJFZGMIFMRZ-IBGZPJMESA-N 0 3 385.895 4.579 40 0 GJABHN Nc1ccc(-c2ccc(C3CCN(Cc4ccnc5ccccc45)CC3)nc2)cn1 ZINC000019689076 571028746 /nfs/dbraw/zinc/02/87/46/571028746.db2.gz GGZDGLZDKCYBPS-UHFFFAOYSA-N 0 3 395.510 4.654 40 0 GJABHN COc1cc2c(cc1OC)[C@H](Cc1ccc(OCc3ccccc3)cc1)NCC2 ZINC000003847481 206494954 /nfs/dbraw/zinc/49/49/54/206494954.db2.gz UABRBWMZIRBFFZ-QHCPKHFHSA-N 0 3 389.495 4.712 40 0 GJABHN C(=C\c1nc2ccccc2nc1CCN1CCCCC1)\c1ccc2c(c1)OCO2 ZINC000017146725 207085930 /nfs/dbraw/zinc/08/59/30/207085930.db2.gz XYCLCYCLXNYJOP-NTMALXAHSA-N 0 3 387.483 4.557 40 0 GJABHN Cc1cccc(CN2CCC(c3noc4nc(C)cc(C(F)(F)F)c43)CC2)n1 ZINC000019236175 207109789 /nfs/dbraw/zinc/10/97/89/207109789.db2.gz LZHHKSZCVADSAI-UHFFFAOYSA-N 0 3 390.409 4.633 40 0 GJABHN O=C(N[C@H](C[C@H]1CCCCN1Cc1ccc(F)cc1)c1ccccn1)C1CCC1 ZINC000019400891 207120102 /nfs/dbraw/zinc/12/01/02/207120102.db2.gz ZXIGFMHJUXKYEJ-FYYLOGMGSA-N 0 3 395.522 4.623 40 0 GJABHN Cc1cc(C(F)(F)F)c2c(n1)onc2[C@@H]1CCCN(Cc2cccs2)C1 ZINC000019568926 207136656 /nfs/dbraw/zinc/13/66/56/207136656.db2.gz VZPIWNOSGGDOGE-GFCCVEGCSA-N 0 3 381.423 4.991 40 0 GJABHN CN1CCC2(CC1)CN(Cc1ccccc1C(F)(F)F)Cc1ccccc1O2 ZINC000019588430 207140876 /nfs/dbraw/zinc/14/08/76/207140876.db2.gz QHWUOTCZCBKVSR-UHFFFAOYSA-N 0 3 390.449 4.564 40 0 GJABHN COCCCN(Cc1c2cccnc2[nH]c1C1CCCC1)Cc1ccncc1 ZINC000019593289 207143891 /nfs/dbraw/zinc/14/38/91/207143891.db2.gz CSZCHPBRWGQHMV-UHFFFAOYSA-N 0 3 378.520 4.654 40 0 GJABHN CC1CCN(Cc2ccc(C(=O)N[C@@H]3CC(C)(C)Oc4ccccc43)cc2)CC1 ZINC000044918608 207644125 /nfs/dbraw/zinc/64/41/25/207644125.db2.gz BTRYEOPZMYGFHE-JOCHJYFZSA-N 0 3 392.543 4.951 40 0 GJABHN Cc1c(CN2CCC[C@@H](c3cc(Cc4ccccc4F)cc(C)n3)C2)cnn1C ZINC000072353976 208000594 /nfs/dbraw/zinc/00/05/94/208000594.db2.gz WXWVXNQGSIKMFN-OAQYLSRUSA-N 0 3 392.522 4.541 40 0 GJABHN COc1ccc(CN2CCC[C@@H](c3nccnc3-c3cccc(F)c3)C2)cc1 ZINC000072358397 208003004 /nfs/dbraw/zinc/00/30/04/208003004.db2.gz QCKWRKHNOORXMN-LJQANCHMSA-N 0 3 377.463 4.671 40 0 GJABHN O=C(Nc1ccccc1)N1C[C@H]2CN(CC(c3ccccc3)c3ccccc3)[C@H]2C1 ZINC000096244928 208295146 /nfs/dbraw/zinc/29/51/46/208295146.db2.gz VGBVRAUDLWKVSQ-RDGATRHJSA-N 0 3 397.522 4.667 40 0 GJABHN CCOc1cc(CNCc2ccc(C)cc2)cc(Br)c1OCC ZINC000007538051 221000687 /nfs/dbraw/zinc/00/06/87/221000687.db2.gz VVTVMNYPUIGQNC-UHFFFAOYSA-N 0 3 378.310 4.845 40 0 GJABHN CC(=O)NC1(c2ccc(F)cc2)CCN(Cc2[nH]c3ccc(C)cc3c2C)CC1 ZINC000012344596 221183651 /nfs/dbraw/zinc/18/36/51/221183651.db2.gz KJWOZADSWGAKJB-UHFFFAOYSA-N 0 3 393.506 4.551 40 0 GJABHN CCN(CC)Cc1ccc(C(=O)N2CCCC[C@H]2c2nc3ccc(C)cc3[nH]2)o1 ZINC000072346794 222233248 /nfs/dbraw/zinc/23/32/48/222233248.db2.gz DXTJZKYTAUIWFO-FQEVSTJZSA-N 0 3 394.519 4.674 40 0 GJABHN COc1ccc(CN2CCC[C@H](c3nccnc3-c3ccccc3OC)C2)cc1 ZINC000072358398 222239761 /nfs/dbraw/zinc/23/97/61/222239761.db2.gz CQKRFZKGDNERKT-IBGZPJMESA-N 0 3 389.499 4.540 40 0 GJABHN Cc1ccc(Cl)c(OCC2(O)CCN(Cc3ccc4[nH]ccc4c3)CC2)c1 ZINC000585269981 570238902 /nfs/dbraw/zinc/23/89/02/570238902.db2.gz AADYTCVDNVRNFF-UHFFFAOYSA-N 0 3 384.907 4.536 40 0 GJABHN CCOc1cc(CNCc2ccc3c(c2)OCO3)ccc1OCc1ccccc1 ZINC000005019758 570397842 /nfs/dbraw/zinc/39/78/42/570397842.db2.gz RKDZJFLJNYFEJR-UHFFFAOYSA-N 0 3 391.467 4.683 40 0 GJABHN Cc1ccc(CN2CCC(C(=O)NCCCc3ccccc3Cl)CC2)cc1 ZINC000039751578 570447467 /nfs/dbraw/zinc/44/74/67/570447467.db2.gz GIZDWTRMSKEZQD-UHFFFAOYSA-N 0 3 384.951 4.609 40 0 GJABHN CC(C)Oc1ccc(NC(=O)[C@@H]2CCCN(Cc3ccccc3Cl)C2)cc1 ZINC000030940137 570501411 /nfs/dbraw/zinc/50/14/11/570501411.db2.gz XKHSYKXSJMAMPY-GOSISDBHSA-N 0 3 386.923 4.978 40 0 GJABHN CCCCCNCc1cc(Br)cc(Br)c1OCC ZINC000007261256 570502148 /nfs/dbraw/zinc/50/21/48/570502148.db2.gz ALGVAWIPZGJHKC-UHFFFAOYSA-N 0 3 379.136 4.890 40 0 GJABHN CC(C)c1ccccc1O[C@@H](C)C(=O)NCc1ccccc1CN1CCCCC1 ZINC000224836441 570533233 /nfs/dbraw/zinc/53/32/33/570533233.db2.gz OQYGXYWBUVHASB-FQEVSTJZSA-N 0 3 394.559 4.880 40 0 GJABHN Cc1ccc(CN(CCCn2ccnc2)Cc2ccc3c(c2)C[C@@H](C)O3)s1 ZINC000036740435 570568405 /nfs/dbraw/zinc/56/84/05/570568405.db2.gz FYSAMFPDTHJFEK-QGZVFWFLSA-N 0 3 381.545 4.669 40 0 GJABHN COc1ccccc1CN(CCCn1ccnc1)Cc1[nH]c2ccccc2c1C ZINC000036740341 570568511 /nfs/dbraw/zinc/56/85/11/570568511.db2.gz IWHUPSAHWYWASZ-UHFFFAOYSA-N 0 3 388.515 4.774 40 0 GJABHN Cc1ccc(CN(CCCn2ccnc2)Cc2ccc3c(c2)C[C@H](C)O3)s1 ZINC000036740434 570568625 /nfs/dbraw/zinc/56/86/25/570568625.db2.gz FYSAMFPDTHJFEK-KRWDZBQOSA-N 0 3 381.545 4.669 40 0 GJABHN Cc1ccc(C2(C(=O)Nc3ccc(OCCN4CCCC4)cc3)CCCC2)cc1 ZINC000225512603 570582286 /nfs/dbraw/zinc/58/22/86/570582286.db2.gz NBWONXBETLOTCU-UHFFFAOYSA-N 0 3 392.543 4.920 40 0 GJABHN CCCC[C@@](C)(OCC)C(=O)Nc1ccc(OCCN2CCC(C)CC2)cc1 ZINC000225699036 570605038 /nfs/dbraw/zinc/60/50/38/570605038.db2.gz NAZBPFAYDNGPBQ-HSZRJFAPSA-N 0 3 390.568 4.721 40 0 GJABHN CCOC1(C(=O)Nc2ccc(OCCN3CCCCC3)cc2)CCCCCC1 ZINC000225711188 570607182 /nfs/dbraw/zinc/60/71/82/570607182.db2.gz GWCAWBFYVQFAKS-UHFFFAOYSA-N 0 3 388.552 4.619 40 0 GJABHN CC(C)c1ccc(NC(=S)NCc2ccc(OC3CCN(C)CC3)cc2)cc1 ZINC000225771936 570615883 /nfs/dbraw/zinc/61/58/83/570615883.db2.gz JTTGIJQAVVGMDR-UHFFFAOYSA-N 0 3 397.588 4.770 40 0 GJABHN C[C@@H](CN[C@H](Cc1ccsc1)c1nccs1)Cc1ccc2c(c1)OCO2 ZINC000012220801 570627551 /nfs/dbraw/zinc/62/75/51/570627551.db2.gz MIJLLFWNPXKPLQ-RHSMWYFYSA-N 0 3 386.542 4.686 40 0 GJABHN O=C(Nc1ccc2sncc2c1)[C@@H]1CCCN(Cc2ccc(Cl)cc2)C1 ZINC000225904039 570632382 /nfs/dbraw/zinc/63/23/82/570632382.db2.gz KODFZMPXQBGUFM-OAHLLOKOSA-N 0 3 385.920 4.800 40 0 GJABHN Cc1ccc(CCCNC(=O)[C@@H]2CCCN(Cc3ccccc3Cl)C2)cc1 ZINC000044909397 570642434 /nfs/dbraw/zinc/64/24/34/570642434.db2.gz ULDRDISZWDERRJ-OAQYLSRUSA-N 0 3 384.951 4.609 40 0 GJABHN S=C(Nc1ccccc1Cl)NC1C[C@H]2CCC[C@@H](C1)N2Cc1ccco1 ZINC000004888046 570642579 /nfs/dbraw/zinc/64/25/79/570642579.db2.gz AFLJGFNCKSEUNX-MQVJKMGUSA-N 0 3 389.952 4.805 40 0 GJABHN COc1cccc(NC(=O)NC2C[C@H]3CCC[C@@H](C2)N3Cc2ccc(C)cc2)c1 ZINC000004887976 570642609 /nfs/dbraw/zinc/64/26/09/570642609.db2.gz UKSFNFGETNNHFS-FRIKZZABSA-N 0 3 393.531 4.711 40 0 GJABHN COc1cccc(Nc2cc(C)nc([C@@H]3CCCN(C(=O)C(C)(C)C)C3)c2)c1 ZINC000257269076 570772931 /nfs/dbraw/zinc/77/29/31/570772931.db2.gz MOLXPTYORURROM-QGZVFWFLSA-N 0 3 381.520 4.894 40 0 GJABHN O=C(Nc1c(F)cccc1F)c1ccc(CN2CCc3ccccc3C2)cc1 ZINC000014411924 570891499 /nfs/dbraw/zinc/89/14/99/570891499.db2.gz AMSONFRPKBVXGG-UHFFFAOYSA-N 0 3 378.422 4.775 40 0 GJABHN Cc1cccc(CN2CCC[C@H](c3noc4nc(C)cc(C(F)(F)F)c43)C2)n1 ZINC000019236216 570966549 /nfs/dbraw/zinc/96/65/49/570966549.db2.gz ZEMAOSVRNHQPBI-AWEZNQCLSA-N 0 3 390.409 4.633 40 0 GJABHN CC(C)(C)C(=O)N[C@H](C[C@H]1CCCCN1Cc1ccc(F)cc1)c1ccccn1 ZINC000019081720 207103430 /nfs/dbraw/zinc/10/34/30/207103430.db2.gz XLJKFBDXIWDMBR-IFMALSPDSA-N 0 3 397.538 4.869 40 0 GJABHN CC(=O)N[C@@H](c1ccccn1)C1CCN(Cc2oc3ccc(C)cc3c2C)CC1 ZINC000019220501 207107855 /nfs/dbraw/zinc/10/78/55/207107855.db2.gz RUODYMYDSPKSOV-XMMPIXPASA-N 0 3 391.515 4.534 40 0 GJABHN COc1ccccc1CN1CCC[C@H](c2cc(C(F)F)c3c(C)noc3n2)C1 ZINC000019564376 207134207 /nfs/dbraw/zinc/13/42/07/207134207.db2.gz PHJCMCLWVSAODZ-AWEZNQCLSA-N 0 3 387.430 4.857 40 0 GJABHN COc1ccccc1-c1nccnc1[C@H]1CCCN(Cc2ccc(F)cc2)C1 ZINC000072358387 208003197 /nfs/dbraw/zinc/00/31/97/208003197.db2.gz WVPDJPDOEZMFIH-SFHVURJKSA-N 0 3 377.463 4.671 40 0 GJABHN FC(F)(F)c1cccc(-c2nccnc2[C@@H]2CCCN(Cc3ccccn3)C2)c1 ZINC000072358624 208003716 /nfs/dbraw/zinc/00/37/16/208003716.db2.gz QVUSLNPAGXFFNA-QGZVFWFLSA-N 0 3 398.432 4.937 40 0 GJABHN CC(C)NC(=O)C[C@H]1CC2(CCN(Cc3ccsc3)CC2)c2ccccc21 ZINC000096052612 208255968 /nfs/dbraw/zinc/25/59/68/208255968.db2.gz QGVIRXODUYUPKB-IBGZPJMESA-N 0 3 382.573 4.684 40 0 GJABHN CNc1ncccc1CN1CCC[C@H](c2cccc(Cc3cccc(F)c3)n2)C1 ZINC000072350265 222236366 /nfs/dbraw/zinc/23/63/66/222236366.db2.gz NFRYRFOHNXYCJB-IBGZPJMESA-N 0 3 390.506 4.628 40 0 GJABHN CC(=O)N[C@H](c1ccccn1)C1CCN(Cc2oc3ccc(C)cc3c2C)CC1 ZINC000019220498 519699633 /nfs/dbraw/zinc/69/96/33/519699633.db2.gz RUODYMYDSPKSOV-DEOSSOPVSA-N 0 3 391.515 4.534 40 0 GJABHN Fc1cccc(N[C@@H]2CCN(Cc3cncs3)C[C@@H]2Cc2ccccc2)c1 ZINC000585262246 570229802 /nfs/dbraw/zinc/22/98/02/570229802.db2.gz VAYIXWLUVMFPLM-PGRDOPGGSA-N 0 3 381.520 4.828 40 0 GJABHN COc1ccc(OC)c([C@H]2[C@H]3CCCC[C@]3(O)CCN2Cc2ccc(C)cc2)c1 ZINC000005185767 570250422 /nfs/dbraw/zinc/25/04/22/570250422.db2.gz VBYFJVGKRCTMDW-VJTSUQJLSA-N 0 3 395.543 4.881 40 0 GJABHN COc1cc2c(cc1OC)C(CC1=NC(C)(C)Cc3ccccc31)=NC(C)(C)C2 ZINC000004601807 570387030 /nfs/dbraw/zinc/38/70/30/570387030.db2.gz XEOOAHFHKGDOSH-MOSHPQCFSA-N 0 3 390.527 4.793 40 0 GJABHN COc1cc2c(cc1OC)C(=CC1=NC(C)(C)Cc3ccccc31)NC(C)(C)C2 ZINC000004601807 570387031 /nfs/dbraw/zinc/38/70/31/570387031.db2.gz XEOOAHFHKGDOSH-MOSHPQCFSA-N 0 3 390.527 4.793 40 0 GJABHN O=C(Nc1ccccc1C(F)(F)F)NC1C[C@H]2CC[C@@H](C1)N2Cc1ccco1 ZINC000004886327 570415716 /nfs/dbraw/zinc/41/57/16/570415716.db2.gz HKKNNABIIQJWPY-GOOCMWNKSA-N 0 3 393.409 4.616 40 0 GJABHN C[C@@H](NC(=O)C1CCN(Cc2ccc(F)cc2)CC1)c1ccc2c(c1)CCCC2 ZINC000222976134 570434606 /nfs/dbraw/zinc/43/46/06/570434606.db2.gz QVCKCWKKQPEKGX-GOSISDBHSA-N 0 3 394.534 4.794 40 0 GJABHN O=C(Nc1ccccc1C(F)(F)F)C1CCN(Cc2ccc(F)cc2)CC1 ZINC000039749102 570447501 /nfs/dbraw/zinc/44/75/01/570447501.db2.gz LWBUSNFROYGCII-UHFFFAOYSA-N 0 3 380.385 4.695 40 0 GJABHN Fc1ccc(NC(=S)NC2C[C@H]3CCC[C@@H](C2)N3Cc2ccccc2)cc1 ZINC000035289446 570454521 /nfs/dbraw/zinc/45/45/21/570454521.db2.gz WODDXVNEXAQTBY-SEJPIABJSA-N 0 3 383.536 4.698 40 0 GJABHN S=C(Nc1ccc(Cl)cc1)NC1C[C@H]2CC[C@@H](C1)N2Cc1cccs1 ZINC000035310745 570465892 /nfs/dbraw/zinc/46/58/92/570465892.db2.gz ZKOYCPNDEQERFO-ALOPSCKCSA-N 0 3 391.993 4.884 40 0 GJABHN CC[C@@H](NC(=O)C1CCN(Cc2ccc(F)cc2)CC1)c1ccc(OC)c(C)c1 ZINC000223446945 570466579 /nfs/dbraw/zinc/46/65/79/570466579.db2.gz PDWIFCJUSHSSBC-JOCHJYFZSA-N 0 3 398.522 4.622 40 0 GJABHN O=C(NCCOc1ccc2ccccc2c1)c1ccc(CN2CCCCC2)cc1 ZINC000223607704 570474024 /nfs/dbraw/zinc/47/40/24/570474024.db2.gz LAARLKXYVSHYGU-UHFFFAOYSA-N 0 3 388.511 4.635 40 0 GJABHN CC[C@@H](Oc1ccc(C)cc1C)C(=O)NCc1ccccc1CN1CCCCC1 ZINC000224849982 570534115 /nfs/dbraw/zinc/53/41/15/570534115.db2.gz GTJNQQDFFSZGSP-HSZRJFAPSA-N 0 3 394.559 4.763 40 0 GJABHN Cc1ccc(CN2CCC(C(=O)Nc3ccc(OC(F)(F)F)cc3)CC2)cc1 ZINC000224884474 570536295 /nfs/dbraw/zinc/53/62/95/570536295.db2.gz MRIFEALONGCZEL-UHFFFAOYSA-N 0 3 392.421 4.744 40 0 GJABHN COc1ccc(CN(CCCn2ccnc2)Cc2ccc(C)s2)c(C)c1C ZINC000043277886 570626896 /nfs/dbraw/zinc/62/68/96/570626896.db2.gz QBRMUFWHIBZCCG-UHFFFAOYSA-N 0 3 383.561 4.971 40 0 GJABHN Cc1cccc(CN2CCC(C(=O)N[C@@H]3CC(C)(C)Oc4ccccc43)CC2)c1 ZINC000044918339 570643372 /nfs/dbraw/zinc/64/33/72/570643372.db2.gz LWWPXBLBORNPLN-JOCHJYFZSA-N 0 3 392.543 4.626 40 0 GJABHN CC(C)C[C@H](NC(=O)[C@@H]1CCCN(Cc2ccc(F)cc2)C1)c1ccccc1 ZINC000044936776 570644262 /nfs/dbraw/zinc/64/42/62/570644262.db2.gz HQUZGCIFWTXAGL-GGAORHGYSA-N 0 3 382.523 4.941 40 0 GJABHN Fc1ccc(-c2ccc(CNCCCSc3ncccn3)o2)cc1Cl ZINC000004984228 570650194 /nfs/dbraw/zinc/65/01/94/570650194.db2.gz WRMNFZWILDEZSA-UHFFFAOYSA-N 0 3 377.872 4.801 40 0 GJABHN C[C@H](NC(=O)[C@H]1CCCN(Cc2ccccc2Cl)C1)c1ccc2c(c1)CCC2 ZINC000260912234 570714062 /nfs/dbraw/zinc/71/40/62/570714062.db2.gz APEXTNAXSUPPOK-JTSKRJEESA-N 0 3 396.962 4.918 40 0 GJABHN COc1cc(CNC2CC2)cc(Br)c1OCc1ccccc1Cl ZINC000008470389 570770487 /nfs/dbraw/zinc/77/04/87/570770487.db2.gz OKOHHTOKTXYIBH-UHFFFAOYSA-N 0 3 396.712 4.942 40 0 GJABHN O=C(NCCN1CCCCCC1)c1ccc(OCc2ccccc2Cl)cc1 ZINC000013687887 570774675 /nfs/dbraw/zinc/77/46/75/570774675.db2.gz HFMHLGQEWPSKHT-UHFFFAOYSA-N 0 3 386.923 4.525 40 0 GJABHN CC(C)c1ccc([O-])c(C(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)c1 ZINC000257289570 570776568 /nfs/dbraw/zinc/77/65/68/570776568.db2.gz PZGARMJDTGFQAF-UHFFFAOYSA-N 0 3 380.532 4.822 40 0 GJABHN Oc1cccc2c1OC1(CCN(Cc3ccc(Cl)cc3)CC1)[C@H]1CCCO[C@H]21 ZINC000257298802 570777820 /nfs/dbraw/zinc/77/78/20/570777820.db2.gz RNIUKXCSORBMPT-PZJWPPBQSA-N 0 3 399.918 4.941 40 0 GJABHN O[C@@H](COc1ccc(Cl)cc1Cl)CN1CCC(Cc2ccccc2)CC1 ZINC000006495870 570904565 /nfs/dbraw/zinc/90/45/65/570904565.db2.gz UQFKQDSFZGMCBG-LJQANCHMSA-N 0 3 394.342 4.688 40 0 GJABHN CC(=O)N(C)C1CCC2(CC1)CN(CC1=CCCCC1)Cc1ccccc1O2 ZINC000019016355 207100225 /nfs/dbraw/zinc/10/02/25/207100225.db2.gz FSVSMHCIERWZAC-UHFFFAOYSA-N 0 3 382.548 4.541 40 0 GJABHN CC(C)(C)C(=O)N[C@H](C[C@@H]1CCCCN1Cc1cccc(F)c1)c1ccccn1 ZINC000019081748 207102552 /nfs/dbraw/zinc/10/25/52/207102552.db2.gz KUKVZNFEICBDBJ-RBBKRZOGSA-N 0 3 397.538 4.869 40 0 GJABHN CC(C)(C)C(=O)N[C@@H](C[C@H]1CCCCN1Cc1ccc(F)cc1)c1ccccn1 ZINC000019081717 207103121 /nfs/dbraw/zinc/10/31/21/207103121.db2.gz XLJKFBDXIWDMBR-IRLDBZIGSA-N 0 3 397.538 4.869 40 0 GJABHN Cc1cccc(C2(O)CCN(Cc3c4cc(C)cnc4[nH]c3C3CC3)CC2)c1 ZINC000019234508 207108946 /nfs/dbraw/zinc/10/89/46/207108946.db2.gz ZKIKFMXVGCJSSG-UHFFFAOYSA-N 0 3 375.516 4.541 40 0 GJABHN CN(C)CCOc1ccc(/C(=C(\CCO)c2ccccc2)c2ccccc2)cc1 ZINC000022061234 207246280 /nfs/dbraw/zinc/24/62/80/207246280.db2.gz XIWBHBPMBIXYBK-OCEACIFDSA-N 0 3 387.523 4.969 40 0 GJABHN COc1cc(CNC[C@@H](O)c2ccccc2)cc(Cl)c1OCc1ccccc1 ZINC000022075711 207246576 /nfs/dbraw/zinc/24/65/76/207246576.db2.gz JRAWRVHSVGLXSU-OAQYLSRUSA-N 0 3 397.902 4.751 40 0 GJABHN FC(F)(F)c1cccc(-c2nccnc2[C@H]2CCCN(Cc3ccncc3)C2)c1 ZINC000072358568 208003792 /nfs/dbraw/zinc/00/37/92/208003792.db2.gz RPSRVNYFBNQJNC-SFHVURJKSA-N 0 3 398.432 4.937 40 0 GJABHN CC(C)c1nccn1-c1cncc([C@H]2CCCN2CCCc2ccccc2)n1 ZINC000072378681 208010446 /nfs/dbraw/zinc/01/04/46/208010446.db2.gz DPKIEXXQRFZKAB-OAQYLSRUSA-N 0 3 375.520 4.555 40 0 GJABHN O=C(C[C@@H]1CC2(CCN(Cc3ccsc3)CC2)c2ccccc21)NC1CCC1 ZINC000096052745 208255181 /nfs/dbraw/zinc/25/51/81/208255181.db2.gz KPVWNSHISKWAKO-LJQANCHMSA-N 0 3 394.584 4.828 40 0 GJABHN CC(C)NC(=O)C[C@@H]1CC2(CCN(Cc3ccc(F)cc3)CC2)c2ccccc21 ZINC000096052625 208256228 /nfs/dbraw/zinc/25/62/28/208256228.db2.gz UYMUWNQMGAJGGF-HXUWFJFHSA-N 0 3 394.534 4.762 40 0 GJABHN COc1cc(CNCc2ccc(C)cc2)ccc1OCc1ccc(Cl)nc1 ZINC000007538143 221001255 /nfs/dbraw/zinc/00/12/55/221001255.db2.gz WKICINQQCMCJBC-UHFFFAOYSA-N 0 3 382.891 4.921 40 0 GJABHN COc1ccc(-n2nc(C)c([C@@H]3C=C[C@@H](NCc4ccc(F)cc4)C3)c2C)cc1 ZINC000008636094 221048751 /nfs/dbraw/zinc/04/87/51/221048751.db2.gz JPIHKKVXRDWSMA-TZIWHRDSSA-N 0 3 391.490 4.839 40 0 biogenic,in-vitro GJABHN CNc1ncccc1CN1CCC[C@@H](c2cccc(-c3cccc(OC)c3)n2)C1 ZINC000072350257 222236658 /nfs/dbraw/zinc/23/66/58/222236658.db2.gz LJZVPZIRWYZCIP-LJQANCHMSA-N 0 3 388.515 4.574 40 0 GJABHN COc1ccc(CN2CCC[C@@H](c3cncc(-c4cccc(OC)c4)n3)C2)cc1 ZINC000072359292 222238917 /nfs/dbraw/zinc/23/89/17/222238917.db2.gz GLKFDMGMXYOLFN-HXUWFJFHSA-N 0 3 389.499 4.540 40 0 GJABHN Fc1ccc(CN2CC[C@H](c3nc(-c4cccc(C(F)(F)F)c4)no3)C2)cc1 ZINC000072369952 222240980 /nfs/dbraw/zinc/24/09/80/222240980.db2.gz MBGQNXMQJQTBGM-HNNXBMFYSA-N 0 3 391.368 4.884 40 0 GJABHN COc1cc(C)ccc1CN1CCC[C@@H]1c1cc(Nc2cnccn2)cc(C)n1 ZINC000072372692 222242643 /nfs/dbraw/zinc/24/26/43/222242643.db2.gz NNFIVAHGTZFMEZ-OAQYLSRUSA-N 0 3 389.503 4.578 40 0 GJABHN CCOC(=O)C1=C(C)NC(SCc2ccc(F)cc2)=N[C@@H]1c1ccccc1 ZINC000408985964 528617369 /nfs/dbraw/zinc/61/73/69/528617369.db2.gz BNFTXNVSNAYZDA-LJQANCHMSA-N 0 3 384.476 4.597 40 0 GJABHN COc1ccc2c(c1Oc1ccccc1)[C@@]13CCN(C)[C@@H](C2)[C@@H]1[C@@H](C)CC(=O)C3 ZINC000253504569 560037819 /nfs/dbraw/zinc/03/78/19/560037819.db2.gz HLKCYOOWMVLNED-WIIJMRJTSA-N 0 3 391.511 4.601 40 0 biogenic,in-vitro GJABHN Cc1cc2c(nc(C)nc2NC2CCN(Cc3ccc4[nH]ccc4c3)CC2)s1 ZINC000585292289 570261429 /nfs/dbraw/zinc/26/14/29/570261429.db2.gz GUIGADNVWYOETP-UHFFFAOYSA-N 0 3 391.544 4.866 40 0 GJABHN CCOc1ccc([C@@H](C)NC(=O)c2ccc(CN3CCC(C)CC3)cc2)cc1 ZINC000020485312 570262019 /nfs/dbraw/zinc/26/20/19/570262019.db2.gz OHWFUOUGBIUOSS-LJQANCHMSA-N 0 3 380.532 4.808 40 0 GJABHN Cc1ccc(CN(C)C(=O)c2ccc(CN3CCc4ccccc4C3)cc2)cc1 ZINC000022525211 570320090 /nfs/dbraw/zinc/32/00/90/570320090.db2.gz NTEAPMSCURYIPR-UHFFFAOYSA-N 0 3 384.523 4.826 40 0 GJABHN COc1cc(CN[C@@H](C)[C@H](O)c2ccccc2)ccc1OCCc1ccccc1 ZINC000022107680 570325614 /nfs/dbraw/zinc/32/56/14/570325614.db2.gz UNECLYAUMKSQFN-DFBJGRDBSA-N 0 3 391.511 4.528 40 0 GJABHN C[C@H](NC(=O)c1ccc(CN2CCC(C)CC2)cc1)c1ccc2c(c1)CCC2 ZINC000223213176 570450272 /nfs/dbraw/zinc/45/02/72/570450272.db2.gz OAIYAQPQDSRXOR-IBGZPJMESA-N 0 3 376.544 4.898 40 0 GJABHN Cc1cccc(CN2CCC(C(=O)N[C@H](C)c3ccc4c(c3)CCC4)CC2)c1 ZINC000223223994 570451180 /nfs/dbraw/zinc/45/11/80/570451180.db2.gz UNGUXKLQVWOXHT-LJQANCHMSA-N 0 3 376.544 4.573 40 0 GJABHN S=C(Nc1ccccc1Cl)NC1C[C@H]2CC[C@@H](C1)N2Cc1cccs1 ZINC000035310747 570465732 /nfs/dbraw/zinc/46/57/32/570465732.db2.gz DZIOGDUMPKOZMC-GOOCMWNKSA-N 0 3 391.993 4.884 40 0 GJABHN O=C(NCCOc1cccc2ccccc21)c1ccc(CN2CCCCC2)cc1 ZINC000223535381 570469986 /nfs/dbraw/zinc/46/99/86/570469986.db2.gz HIMGYBZVJRENMF-UHFFFAOYSA-N 0 3 388.511 4.635 40 0 GJABHN CC[C@H](C)c1ccccc1OC[C@H](O)CN1CCC(Cc2ccccc2)CC1 ZINC000006356051 570477742 /nfs/dbraw/zinc/47/77/42/570477742.db2.gz STEUGUDCLGDMGA-NZQKXSOJSA-N 0 3 381.560 4.895 40 0 GJABHN COC1(COc2ccc(C)cc2C)CCN(Cc2ccc3[nH]ccc3c2)CC1 ZINC000257206557 570487237 /nfs/dbraw/zinc/48/72/37/570487237.db2.gz BDZSAQPEJGREES-UHFFFAOYSA-N 0 3 378.516 4.845 40 0 GJABHN CC(C)Oc1ccc(NC(=O)[C@H]2CCCN(Cc3ccccc3Cl)C2)cc1 ZINC000030940140 570501346 /nfs/dbraw/zinc/50/13/46/570501346.db2.gz XKHSYKXSJMAMPY-SFHVURJKSA-N 0 3 386.923 4.978 40 0 GJABHN CC[C@@H](Oc1cc(C)cc(C)c1)C(=O)NCc1ccccc1CN1CCCCC1 ZINC000224850086 570534136 /nfs/dbraw/zinc/53/41/36/570534136.db2.gz VBUWLTSKSRDBPE-XMMPIXPASA-N 0 3 394.559 4.763 40 0 GJABHN O=C(NCc1ccc(Cl)cc1)[C@H]1CCCN(Cc2ccccc2Cl)C1 ZINC000038848584 570586906 /nfs/dbraw/zinc/58/69/06/570586906.db2.gz MWRQPCGCNXHADX-KRWDZBQOSA-N 0 3 377.315 4.522 40 0 GJABHN CCO[C@](C)(CC(C)C)C(=O)Nc1ccc(OCCN2CCC(C)CC2)cc1 ZINC000225688709 570603250 /nfs/dbraw/zinc/60/32/50/570603250.db2.gz XYDIPFKPNBWDGA-HSZRJFAPSA-N 0 3 390.568 4.577 40 0 GJABHN CCc1ccc(NC(=S)NC2C[C@H]3CCC[C@@H](C2)N3Cc2ccco2)cc1 ZINC000004857270 570638820 /nfs/dbraw/zinc/63/88/20/570638820.db2.gz VEGHIBJDHRUQOR-IHWFROFDSA-N 0 3 383.561 4.714 40 0 GJABHN O=C(Nc1ccc(OC2CCCC2)cc1)[C@@H]1CCCN(Cc2ccc(F)cc2)C1 ZINC000044917150 570643428 /nfs/dbraw/zinc/64/34/28/570643428.db2.gz LTBLOQKXXQMYCE-LJQANCHMSA-N 0 3 396.506 4.998 40 0 GJABHN Cc1ccc(NC(=O)CN2CCC(c3nc4ccc(Cl)cc4[nH]3)CC2)cc1C ZINC000005626008 570665415 /nfs/dbraw/zinc/66/54/15/570665415.db2.gz NZQQNRDOFZECFH-UHFFFAOYSA-N 0 3 396.922 4.651 40 0 GJABHN CCc1ccc([C@H](C)NC(=O)[C@H]2CCCN(Cc3ccccc3Cl)C2)cc1 ZINC000260759586 570703458 /nfs/dbraw/zinc/70/34/58/570703458.db2.gz BXCQTOJTKKQVJU-UWJYYQICSA-N 0 3 384.951 4.992 40 0 GJABHN CC[C@H](NC(=O)[C@H]1CCCN(Cc2ccc(F)cc2)C1)c1ccc(OC)c(C)c1 ZINC000260843438 570710364 /nfs/dbraw/zinc/71/03/64/570710364.db2.gz RUIBWTRAOHIMJI-UNMCSNQZSA-N 0 3 398.522 4.622 40 0 GJABHN Cc1cc(OCC(=O)Nc2ccc(CN3CCCCC3)cc2)cc(C)c1Cl ZINC000017079021 570917524 /nfs/dbraw/zinc/91/75/24/570917524.db2.gz LIBHBVFSKFGKSI-UHFFFAOYSA-N 0 3 386.923 4.960 40 0 GJABHN O=C(C1CCC1)N1C[C@@H](c2ccsc2)[C@@H]2CN(Cc3ccc(F)cc3)CC[C@@H]21 ZINC000019334351 570976068 /nfs/dbraw/zinc/97/60/68/570976068.db2.gz GWPAMYFEIJAQHI-FKBYEOEOSA-N 0 3 398.547 4.504 40 0 GJABHN O=C(N[C@H](C[C@@H]1CCCCN1Cc1cccc(F)c1)c1ccccn1)C1CCC1 ZINC000019400918 570982947 /nfs/dbraw/zinc/98/29/47/570982947.db2.gz WVOHRVSCLILPLB-JTHBVZDNSA-N 0 3 395.522 4.623 40 0 GJABHN Cc1c(CN2CCC(c3ccc(Cc4cccc(Cl)c4)cn3)CC2)cnn1C ZINC000019690494 571029209 /nfs/dbraw/zinc/02/92/09/571029209.db2.gz LEAJRSLOJFEJBU-UHFFFAOYSA-N 0 3 394.950 4.747 40 0 GJABHN CCCOC(C(=O)O[C@H]1CC[C@H]2CC[C@@H]1N2C)(c1ccccc1)c1ccccc1 ZINC000001639500 212253087 /nfs/dbraw/zinc/25/30/87/212253087.db2.gz HKGIWDBWRYKYTC-VJBWXMMDSA-N 0 3 393.527 4.525 40 0 GJABHN Cc1nc(NC2CCCC2)cc(N2CCc3ccc(OC(F)(F)F)cc3C2)n1 ZINC000329057833 206243154 /nfs/dbraw/zinc/24/31/54/206243154.db2.gz WAPNBURNSDSRHX-UHFFFAOYSA-N 0 3 392.425 4.601 40 0 GJABHN COCCCN(Cc1ccccn1)CC1(c2ccc(Cl)cc2Cl)CC1 ZINC000019593267 207143395 /nfs/dbraw/zinc/14/33/95/207143395.db2.gz TZVYVZWRUBZKCH-UHFFFAOYSA-N 0 3 379.331 4.959 40 0 GJABHN C[C@H](NC(=O)c1ccc(CN2CCc3ccccc3C2)cc1)c1ccc(F)cc1 ZINC000020460622 207195947 /nfs/dbraw/zinc/19/59/47/207195947.db2.gz ANFGHGUOUCGUAM-SFHVURJKSA-N 0 3 388.486 4.875 40 0 GJABHN Fc1cccc(-c2nccnc2[C@@H]2CCCN(CCOc3ccccc3)C2)c1 ZINC000072358888 208002760 /nfs/dbraw/zinc/00/27/60/208002760.db2.gz HFOPKBZKMPQQNG-LJQANCHMSA-N 0 3 377.463 4.541 40 0 GJABHN CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)[C@@H]1CN(C)CC[C@@H]1c1ccc(F)cc1 ZINC000083260327 208085016 /nfs/dbraw/zinc/08/50/16/208085016.db2.gz RZVKAWNUVBFUSF-YCDQRNBNSA-N 0 3 375.528 4.865 40 0 GJABHN CCN(CC)C(=O)C[C@H]1CC2(CCN(Cc3ccco3)CC2)c2ccccc21 ZINC000096053026 208258487 /nfs/dbraw/zinc/25/84/87/208258487.db2.gz CYXJDTYMBNHJDS-IBGZPJMESA-N 0 3 380.532 4.559 40 0 GJABHN COc1ccc2c(c1Oc1ccccc1)[C@]13CCN(C)[C@H](C2)[C@@H]1[C@@H](C)CC(=O)C3 ZINC000096316421 208307065 /nfs/dbraw/zinc/30/70/65/208307065.db2.gz HLKCYOOWMVLNED-DQZWCGOGSA-N 0 3 391.511 4.601 40 0 biogenic,in-vitro GJABHN C[C@@H](NC(=O)c1ccc(CN2CCC(C)CC2)cc1)c1ccc2c(c1)CCC2 ZINC000223213120 208896599 /nfs/dbraw/zinc/89/65/99/208896599.db2.gz OAIYAQPQDSRXOR-LJQANCHMSA-N 0 3 376.544 4.898 40 0 GJABHN Cc1cc(Nc2ccc(F)cc2)cc([C@H]2CCCN(CC3=CCCOC3)C2)n1 ZINC000257244236 209059998 /nfs/dbraw/zinc/05/99/98/209059998.db2.gz IKLVLFUMNZSNCU-IBGZPJMESA-N 0 3 381.495 4.799 40 0 GJABHN C[C@@H](CN[C@@H](Cc1ccsc1)c1nccs1)Cc1ccc2c(c1)OCO2 ZINC000012220799 221168898 /nfs/dbraw/zinc/16/88/98/221168898.db2.gz MIJLLFWNPXKPLQ-PBHICJAKSA-N 0 3 386.542 4.686 40 0 GJABHN O=C(Nc1ccc(N2CCCCC2)cc1)[C@H]1CCCN(Cc2ccc(F)cc2)C1 ZINC000096627721 136187446 /nfs/dbraw/zinc/18/74/46/136187446.db2.gz CTXWOLKSSSAIKI-FQEVSTJZSA-N 0 3 395.522 4.667 40 0 GJABHN COc1cccc2c1OC1(CCN(Cc3ccccc3F)CC1)[C@H]1CCCO[C@H]21 ZINC000257333181 209078009 /nfs/dbraw/zinc/07/80/09/209078009.db2.gz YANISNALBUXQRK-SIKLNZKXSA-N 0 3 397.490 4.729 40 0 GJABHN CC(C)=CCN1CCC(Oc2ncnc3c2c(C)c(C)n3C2CCCC2)CC1 ZINC000057731748 222036332 /nfs/dbraw/zinc/03/63/32/222036332.db2.gz AVCZMJOPRTVNBL-UHFFFAOYSA-N 0 3 382.552 4.973 40 0 GJABHN CNc1ncccc1CN1CCC[C@H](c2cccc(-c3ccccc3OC)n2)C1 ZINC000072350254 222236810 /nfs/dbraw/zinc/23/68/10/222236810.db2.gz FQUWKQQLXLNRKJ-SFHVURJKSA-N 0 3 388.515 4.574 40 0 GJABHN FC(F)(F)c1cccc(-c2cncc([C@@H]3CCCN(Cc4cccnc4)C3)n2)c1 ZINC000072359408 222239605 /nfs/dbraw/zinc/23/96/05/222239605.db2.gz SJVQDJJZMCHRCP-GOSISDBHSA-N 0 3 398.432 4.937 40 0 GJABHN Cc1ccc(CN2CCC3(C[C@H](CC(=O)NC(C)C)c4ccccc43)CC2)o1 ZINC000096052617 222374198 /nfs/dbraw/zinc/37/41/98/222374198.db2.gz AWZJKRUOXFOEDQ-IBGZPJMESA-N 0 3 380.532 4.524 40 0 GJABHN CC(C)C[C@@H]1N[C@H](C(=O)NC2CCCC2)Cc2cn(CC3CC3)c3cccc1c23 ZINC000049171534 560084326 /nfs/dbraw/zinc/08/43/26/560084326.db2.gz XDVAWRHOCZDBRW-VXKWHMMOSA-N 0 3 393.575 4.712 40 0 biogenic,in-vitro GJABHN CC(=O)N1CCC[C@H](NCc2ccccc2Cl)[C@@H]1Cc1cccc(Cl)c1 ZINC000585286190 570255726 /nfs/dbraw/zinc/25/57/26/570255726.db2.gz OQKNHEKKZGGWPU-SFTDATJTSA-N 0 3 391.342 4.705 40 0 GJABHN O[C@H]1[C@H](Oc2ccc(Cl)cc2)CCC[C@@H]1NCc1ccc(C(F)(F)F)cc1 ZINC000585288536 570258971 /nfs/dbraw/zinc/25/89/71/570258971.db2.gz DBOGJWXWNZJYEE-IPMKNSEASA-N 0 3 399.840 4.809 40 0 GJABHN C[C@H](SCc1ccccc1)C(=O)NCc1ccccc1CN1CCCCC1 ZINC000107844629 570311200 /nfs/dbraw/zinc/31/12/00/570311200.db2.gz JGGBSIOVEBDQGG-IBGZPJMESA-N 0 3 382.573 4.611 40 0 GJABHN COc1ccc(Cl)cc1Nc1cc(-c2ccccc2)nc(NCCN(C)C)n1 ZINC000243669457 570457844 /nfs/dbraw/zinc/45/78/44/570457844.db2.gz PDCOIGGYWINJAC-UHFFFAOYSA-N 0 3 397.910 4.523 40 0 GJABHN C[C@@H](CNC(=O)c1ccc(CN2CCc3ccccc3C2)cc1)c1ccccc1 ZINC000223415322 570464637 /nfs/dbraw/zinc/46/46/37/570464637.db2.gz XTCWMGJXGKXNPS-FQEVSTJZSA-N 0 3 384.523 4.778 40 0 GJABHN CCOc1cc(CNCc2ccc(OC)cc2)cc(Br)c1OCC ZINC000007538522 570507414 /nfs/dbraw/zinc/50/74/14/570507414.db2.gz IZFOUGBQBNOYFP-UHFFFAOYSA-N 0 3 394.309 4.545 40 0 GJABHN CCOc1cc(CNC2CC2)cc(Br)c1OCc1ccccc1 ZINC000008254039 570525760 /nfs/dbraw/zinc/52/57/60/570525760.db2.gz OYSGGBLQYIHHTB-UHFFFAOYSA-N 0 3 376.294 4.679 40 0 GJABHN Cc1ccc(C(C)C)c(OCC(=O)NCc2ccccc2CN2CCCCC2)c1 ZINC000224850730 570534161 /nfs/dbraw/zinc/53/41/61/570534161.db2.gz MZWRPDSNQMSAGQ-UHFFFAOYSA-N 0 3 394.559 4.800 40 0 GJABHN CC(C)[C@H](C)NC(=O)c1ccc(CN2CCC(Cc3ccccc3)CC2)cc1 ZINC000225222611 570557664 /nfs/dbraw/zinc/55/76/64/570557664.db2.gz ZYNJFFAVHCAEFF-FQEVSTJZSA-N 0 3 378.560 4.916 40 0 GJABHN CCc1ccc(CC)c(CNC(=O)[C@@H]2CCCN(Cc3ccccc3Cl)C2)c1 ZINC000225350917 570566427 /nfs/dbraw/zinc/56/64/27/570566427.db2.gz UUNFKNQIGWJVDB-OAQYLSRUSA-N 0 3 398.978 4.993 40 0 GJABHN O=C(NCCSC1CCCCC1)[C@H]1CCCN(Cc2ccccc2Cl)C1 ZINC000038852765 570588652 /nfs/dbraw/zinc/58/86/52/570588652.db2.gz QHVBZYCGCWUDLO-SFHVURJKSA-N 0 3 395.012 4.734 40 0 GJABHN COc1cccc(-c2n[nH]cc2CNC2(c3ccccc3OC)CCCC2)c1 ZINC000012116975 570611465 /nfs/dbraw/zinc/61/14/65/570611465.db2.gz ODPOVJITYAGWPU-UHFFFAOYSA-N 0 3 377.488 4.653 40 0 GJABHN CSc1ccc(NC(=O)NC2C[C@H]3CCC[C@@H](C2)N3Cc2ccco2)cc1 ZINC000004883338 570642735 /nfs/dbraw/zinc/64/27/35/570642735.db2.gz FEDIYHXZMFUSAV-AYHJJNSGSA-N 0 3 385.533 4.709 40 0 GJABHN CCC[C@H]1CCN(Cc2ccc(NC(C)=O)cc2)C[C@H]1Nc1cccc(F)c1 ZINC000257236328 570767121 /nfs/dbraw/zinc/76/71/21/570767121.db2.gz HBPXQLIWJGXPSC-WMZHIEFXSA-N 0 3 383.511 4.887 40 0 GJABHN CC(C)(C)c1ccc([O-])c(C(=O)NCc2cccc(C[NH+]3CCCCC3)c2)c1 ZINC000257324834 570781776 /nfs/dbraw/zinc/78/17/76/570781776.db2.gz WQKCDRWKOKAHNC-UHFFFAOYSA-N 0 3 380.532 4.606 40 0 GJABHN O=C(COc1cccc2ccccc21)NCc1ccccc1CN1CCCCC1 ZINC000010280621 206809626 /nfs/dbraw/zinc/80/96/26/206809626.db2.gz HQHXGJBEXGHGSM-UHFFFAOYSA-N 0 3 388.511 4.521 40 0 GJABHN COc1ccccc1OCCN(C)Cc1c2cccnc2[nH]c1C1CCCC1 ZINC000019586174 207139663 /nfs/dbraw/zinc/13/96/63/207139663.db2.gz FBZZQYOQWOTMOK-UHFFFAOYSA-N 0 3 379.504 4.740 40 0 GJABHN Cc1cc(-c2ccc(N)nc2)cc([C@H]2CCCN2Cc2ccnc3ccccc23)n1 ZINC000019691039 207148228 /nfs/dbraw/zinc/14/82/28/207148228.db2.gz JCEPYWVKCAIMCG-XMMPIXPASA-N 0 3 395.510 4.920 40 0 GJABHN Fc1cccc(-c2nccnc2[C@H]2CCCN(CCOc3ccccc3)C2)c1 ZINC000072358887 208004205 /nfs/dbraw/zinc/00/42/05/208004205.db2.gz HFOPKBZKMPQQNG-IBGZPJMESA-N 0 3 377.463 4.541 40 0 GJABHN COc1cc(CNC[C@@H]2CCCO2)cc(Cl)c1OCc1ccccc1Cl ZINC000008470421 221041673 /nfs/dbraw/zinc/04/16/73/221041673.db2.gz JSYTWZFXTCOLIT-INIZCTEOSA-N 0 3 396.314 4.850 40 0 GJABHN COc1cc(CNC[C@H]2CCCO2)ccc1OCc1ccc(Cl)cc1Cl ZINC000008471676 221042725 /nfs/dbraw/zinc/04/27/25/221042725.db2.gz IQCKLWWMHYBNGR-QGZVFWFLSA-N 0 3 396.314 4.850 40 0 GJABHN COc1cccc(CNC[C@@H]2CCCO2)c1OCc1ccc(Cl)cc1Cl ZINC000008495441 221043067 /nfs/dbraw/zinc/04/30/67/221043067.db2.gz CIMOAZBGGDRPAP-KRWDZBQOSA-N 0 3 396.314 4.850 40 0 GJABHN CC(C)(C)C(=O)N[C@H](C[C@H]1CCCCN1Cc1cccc(F)c1)c1ccccn1 ZINC000019081752 221396146 /nfs/dbraw/zinc/39/61/46/221396146.db2.gz KUKVZNFEICBDBJ-IFMALSPDSA-N 0 3 397.538 4.869 40 0 GJABHN Fc1ccc(OCCN2CCC(c3cccc(Nc4ccccn4)n3)CC2)cc1 ZINC000257306664 209072938 /nfs/dbraw/zinc/07/29/38/209072938.db2.gz SVGVDFKNMLQWQP-UHFFFAOYSA-N 0 3 392.478 4.618 40 0 GJABHN CNc1ncccc1CN1CCC[C@@H](c2cccc(Cc3cccc(F)c3)n2)C1 ZINC000072350266 222236213 /nfs/dbraw/zinc/23/62/13/222236213.db2.gz NFRYRFOHNXYCJB-LJQANCHMSA-N 0 3 390.506 4.628 40 0 GJABHN Cc1c(CN2CCC[C@@H](c3cc(Cc4ccc(F)cc4)cc(C)n3)C2)cnn1C ZINC000072353978 222237927 /nfs/dbraw/zinc/23/79/27/222237927.db2.gz YSCBOGKBNRQUOQ-OAQYLSRUSA-N 0 3 392.522 4.541 40 0 GJABHN FC(F)(F)c1cccc(-c2nccnc2[C@H]2CCCN(Cc3ccccn3)C2)c1 ZINC000072358623 222238999 /nfs/dbraw/zinc/23/89/99/222238999.db2.gz QVUSLNPAGXFFNA-KRWDZBQOSA-N 0 3 398.432 4.937 40 0 GJABHN Clc1ccccc1CN1CCC[C@H](c2cccc(Nc3ncccn3)n2)C1 ZINC000072375921 222242578 /nfs/dbraw/zinc/24/25/78/222242578.db2.gz VSRDUJNTFRGVDR-KRWDZBQOSA-N 0 3 379.895 4.648 40 0 GJABHN CC(C)NC(=O)C[C@H]1CC2(CCN(Cc3cccs3)CC2)Oc2ccccc21 ZINC000096053308 222374822 /nfs/dbraw/zinc/37/48/22/222374822.db2.gz NCYUHKXZIUUONS-SFHVURJKSA-N 0 3 398.572 4.564 40 0 GJABHN c1coc(CN[C@H]2CC3(CCN(Cc4ccco4)CC3)Oc3ccccc32)c1 ZINC000096242824 570223159 /nfs/dbraw/zinc/22/31/59/570223159.db2.gz AQGGQVJZOPFASF-NRFANRHFSA-N 0 3 378.472 4.521 40 0 GJABHN O=C(Nc1ccc(OC(F)(F)F)cc1)C1CCN(Cc2ccc(F)cc2)CC1 ZINC000096625596 570231606 /nfs/dbraw/zinc/23/16/06/570231606.db2.gz RBSRJOIMXARGLQ-UHFFFAOYSA-N 0 3 396.384 4.575 40 0 GJABHN OCCCN1CCC(c2cccc(Nc3ncc(-c4ccccc4)s3)n2)CC1 ZINC000585263080 570231717 /nfs/dbraw/zinc/23/17/17/570231717.db2.gz JEMAGCODBWCNHM-UHFFFAOYSA-N 0 3 394.544 4.511 40 0 GJABHN COc1cc(CN[C@@H](C)[C@@H](O)c2ccccc2)ccc1OCc1cccs1 ZINC000022076385 570321018 /nfs/dbraw/zinc/32/10/18/570321018.db2.gz SXHDONGRNUFPEX-KSFYIVLOSA-N 0 3 383.513 4.547 40 0 GJABHN COc1cc(CN[C@H](C)[C@@H](O)c2ccccc2)ccc1OCCc1ccccc1 ZINC000022107675 570325594 /nfs/dbraw/zinc/32/55/94/570325594.db2.gz UNECLYAUMKSQFN-KBMIEXCESA-N 0 3 391.511 4.528 40 0 GJABHN Cc1ccc(CN2[C@@H]3CCC[C@H]2CC(NC(=O)Nc2ccccc2F)C3)cc1 ZINC000004887981 570415631 /nfs/dbraw/zinc/41/56/31/570415631.db2.gz DCEPUEYTNTUGLE-IHWFROFDSA-N 0 3 381.495 4.841 40 0 GJABHN O=C(NCc1ccc2ccccc2c1)[C@@H]1CCCN(Cc2ccc(F)cc2)C1 ZINC000222813657 570427005 /nfs/dbraw/zinc/42/70/05/570427005.db2.gz LZXUMMJIMHBBLX-JOCHJYFZSA-N 0 3 376.475 4.507 40 0 GJABHN O=C(Nc1cc(Cl)cc(Cl)c1)C1CCN(Cc2ccc(F)cc2)CC1 ZINC000039772952 570446551 /nfs/dbraw/zinc/44/65/51/570446551.db2.gz LJWHRKXMCYSJBE-UHFFFAOYSA-N 0 3 381.278 4.983 40 0 GJABHN Cc1cccc(CN2CCC(C(=O)N[C@@H](C)c3ccc4c(c3)CCC4)CC2)c1 ZINC000223223937 570451194 /nfs/dbraw/zinc/45/11/94/570451194.db2.gz UNGUXKLQVWOXHT-IBGZPJMESA-N 0 3 376.544 4.573 40 0 GJABHN COc1ccccc1NC(=O)NC1C[C@H]2CCC[C@@H](C1)N2Cc1ccc(C)cc1 ZINC000035289488 570454547 /nfs/dbraw/zinc/45/45/47/570454547.db2.gz MDHWXNFRWPVUTA-SEJPIABJSA-N 0 3 393.531 4.711 40 0 GJABHN COc1ccccc1CN1[C@@H]2CCC[C@H]1CC(NC(=S)Nc1ccccc1)C2 ZINC000035289803 570455588 /nfs/dbraw/zinc/45/55/88/570455588.db2.gz QJDYWVAMMKZJCV-SEJPIABJSA-N 0 3 395.572 4.567 40 0 GJABHN CCOc1cc(CN[C@@H](CC)CO)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000008326284 570528104 /nfs/dbraw/zinc/52/81/04/570528104.db2.gz YUPJFZYTJHUIFS-KRWDZBQOSA-N 0 3 398.330 4.832 40 0 GJABHN CC[C@H](Oc1cccc(C)c1C)C(=O)NCc1ccccc1CN1CCCCC1 ZINC000224837673 570533194 /nfs/dbraw/zinc/53/31/94/570533194.db2.gz WVGPCQJXKCGUHU-QHCPKHFHSA-N 0 3 394.559 4.763 40 0 GJABHN CCOc1ccc(C(=O)NCc2ccccc2CN2CCCCC2)cc1Cl ZINC000224851408 570534251 /nfs/dbraw/zinc/53/42/51/570534251.db2.gz YPUGEZAFWQOJOW-UHFFFAOYSA-N 0 3 386.923 4.655 40 0 GJABHN COc1cc2c(cc1CN(CCCn1ccnc1)Cc1ccc(F)cc1)CCC2 ZINC000036740153 570568577 /nfs/dbraw/zinc/56/85/77/570568577.db2.gz ILORLZCNKJWTCL-UHFFFAOYSA-N 0 3 393.506 4.612 40 0 GJABHN O=C(NCc1ccc(Cl)cc1Cl)[C@@H]1CCCN(Cc2ccc(F)cc2)C1 ZINC000038848662 570587203 /nfs/dbraw/zinc/58/72/03/570587203.db2.gz YLCOPMBCKHQKBV-MRXNPFEDSA-N 0 3 395.305 4.661 40 0 GJABHN CCCO[C@](C)(CCC)C(=O)Nc1ccc(OCCN2CCC(C)CC2)cc1 ZINC000225738580 570611664 /nfs/dbraw/zinc/61/16/64/570611664.db2.gz GLHSCGYEQQACQA-HSZRJFAPSA-N 0 3 390.568 4.721 40 0 GJABHN Cc1ccc(CN2[C@@H]3CCC[C@H]2CC(NC(=O)Nc2ccc(F)cc2)C3)cc1 ZINC000004887986 570642530 /nfs/dbraw/zinc/64/25/30/570642530.db2.gz JTZUTCPNERHURW-FRIKZZABSA-N 0 3 381.495 4.841 40 0 GJABHN Cc1cccc(CN2CCC(C(=O)N[C@H]3CC(C)(C)Oc4ccccc43)CC2)c1 ZINC000044918343 570643377 /nfs/dbraw/zinc/64/33/77/570643377.db2.gz LWWPXBLBORNPLN-QFIPXVFZSA-N 0 3 392.543 4.626 40 0 GJABHN CCOc1cc(CNCc2ccc3c(c2)OCO3)ccc1OCc1cccs1 ZINC000007523766 570760094 /nfs/dbraw/zinc/76/00/94/570760094.db2.gz SSONDOSQLDIQDM-UHFFFAOYSA-N 0 3 397.496 4.744 40 0 GJABHN CC(C)(C)c1ccc([O-])c(C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)c1 ZINC000257234635 570766422 /nfs/dbraw/zinc/76/64/22/570766422.db2.gz GULUQRRBNCQIAP-UHFFFAOYSA-N 0 3 380.532 4.606 40 0 GJABHN Cc1ccc(C(=O)N2CCC[C@]3(CCCN3Cc3cc(F)ccc3F)CC2)o1 ZINC000585100355 570924561 /nfs/dbraw/zinc/92/45/61/570924561.db2.gz GDGUIBIOAVFBQM-QFIPXVFZSA-N 0 3 388.458 4.527 40 0 GJABHN COc1ccc(CCN2CCC(c3nnc(-c4ccc(C)s4)o3)CC2)cc1 ZINC000019217822 570962384 /nfs/dbraw/zinc/96/23/84/570962384.db2.gz LAAAIXNASWCPFC-UHFFFAOYSA-N 0 3 383.517 4.537 40 0 GJABHN CN1[C@H]2C=C(N(CCc3c[nH]c4ccccc34)C(=O)c3ccccc3)C[C@@H]1CC2 ZINC000004866527 570998521 /nfs/dbraw/zinc/99/85/21/570998521.db2.gz GRMDVEKHWGLKTF-RTWAWAEBSA-N 0 3 385.511 4.603 40 0 GJABHN Cc1cccc(CN2CCC[C@@H](c3noc4nc(C)cc(C(F)(F)F)c43)C2)n1 ZINC000019236215 207110163 /nfs/dbraw/zinc/11/01/63/207110163.db2.gz ZEMAOSVRNHQPBI-CQSZACIVSA-N 0 3 390.409 4.633 40 0 GJABHN O=C(N[C@H](C[C@H]1CCCCN1Cc1cccc(F)c1)c1ccccn1)C1CCC1 ZINC000019400915 207119993 /nfs/dbraw/zinc/11/99/93/207119993.db2.gz WVOHRVSCLILPLB-FYYLOGMGSA-N 0 3 395.522 4.623 40 0 GJABHN CC(C)Nc1ncc(-c2cccnc2)c(C2CCN(Cc3cccs3)CC2)n1 ZINC000019450344 207122725 /nfs/dbraw/zinc/12/27/25/207122725.db2.gz WGCNRCCIRXEHOA-UHFFFAOYSA-N 0 3 393.560 4.800 40 0 GJABHN COCCn1cc(CNC2(c3ccccc3OC)CCCC2)c2ccccc21 ZINC000019594215 207143876 /nfs/dbraw/zinc/14/38/76/207143876.db2.gz TXUYSRIBDSYTRN-UHFFFAOYSA-N 0 3 378.516 4.855 40 0 GJABHN CC1CCN(Cc2ccc(C(=O)NCCCc3ccc(Cl)cc3)cc2)CC1 ZINC000020460450 207195804 /nfs/dbraw/zinc/19/58/04/207195804.db2.gz PYAQZIHNKJZUOB-UHFFFAOYSA-N 0 3 384.951 4.935 40 0 GJABHN Cc1cccc(CSCC(=O)NCc2ccccc2CN2CCCCC2)c1 ZINC000024181855 207288685 /nfs/dbraw/zinc/28/86/85/207288685.db2.gz YPGISOZFKHFLOC-UHFFFAOYSA-N 0 3 382.573 4.531 40 0 GJABHN CCOc1cc(CNCCOC)cc(Cl)c1OCc1ccccc1Cl ZINC000008254117 221033346 /nfs/dbraw/zinc/03/33/46/221033346.db2.gz UWKONVASQVDSAW-UHFFFAOYSA-N 0 3 384.303 4.707 40 0 GJABHN Cc1cc(Nc2cccc(F)c2)cc([C@@H]2CCN(C(=O)c3ccccc3)C2)n1 ZINC000257339048 209078705 /nfs/dbraw/zinc/07/87/05/209078705.db2.gz YZZRZTHGYVKHPT-GOSISDBHSA-N 0 3 375.447 4.902 40 0 GJABHN c1ccc(Nc2nccc([C@@H]3CCCN(Cc4ccc5ncccc5c4)C3)n2)nc1 ZINC000072377984 222244573 /nfs/dbraw/zinc/24/45/73/222244573.db2.gz ROYZPIAPKIFZKR-HXUWFJFHSA-N 0 3 396.498 4.543 40 0 GJABHN COc1ccc(CN2CCC[C@H](c3cccc(-n4ccnc4C(C)C)n3)C2)cc1 ZINC000072379124 222245150 /nfs/dbraw/zinc/24/51/50/222245150.db2.gz MVHIAGSPBUYBGR-FQEVSTJZSA-N 0 3 390.531 4.779 40 0 GJABHN COc1ccc(CN2CCC[C@@H]2c2cccc(-n3ccnc3C(C)C)n2)cc1 ZINC000072379118 222245513 /nfs/dbraw/zinc/24/55/13/222245513.db2.gz NVAGRUPUFGKYMU-OAQYLSRUSA-N 0 3 376.504 4.736 40 0 GJABHN CC(C)NC(=O)C[C@H]1CC2(CCN(Cc3ccc(F)cc3)CC2)c2ccccc21 ZINC000096052626 222374766 /nfs/dbraw/zinc/37/47/66/222374766.db2.gz UYMUWNQMGAJGGF-FQEVSTJZSA-N 0 3 394.534 4.762 40 0 GJABHN COc1ccc(CN2CCC(c3nc4ccc(-c5ccccc5)cn4n3)CC2)cc1 ZINC000096038176 222374991 /nfs/dbraw/zinc/37/49/91/222374991.db2.gz GSAWPCASDSWLOX-UHFFFAOYSA-N 0 3 398.510 4.785 40 0 GJABHN CCCCOc1ccc(C(=O)N2CCC(N3CCc4ccccc4C3)CC2)cc1 ZINC000408609954 528659249 /nfs/dbraw/zinc/65/92/49/528659249.db2.gz PPNZUAQCNWNICT-UHFFFAOYSA-N 0 3 392.543 4.528 40 0 GJABHN CC(C)(C)CCN1CC[C@@](C)(O)[C@@H](NC(=O)CC(C)(C)C)[C@@H]1c1cccs1 ZINC000514289852 560031202 /nfs/dbraw/zinc/03/12/02/560031202.db2.gz KEKAFOJARNZDOP-CNNODRBYSA-N 0 3 394.625 4.603 40 0 biogenic,in-vitro GJABHN Fc1ccc2[nH]c([C@H]3CCN(Cc4cccc(OC(F)(F)F)c4)C3)nc2c1 ZINC000035446625 560079169 /nfs/dbraw/zinc/07/91/69/560079169.db2.gz RSCPVUZITIQXCU-ZDUSSCGKSA-N 0 3 379.357 4.590 40 0 biogenic,in-vitro GJABHN CCCCC/C=C/C/C=C/C/C=C/C/C=C/CCCC(=O)OC[C@H](N)CO ZINC000104850106 570303895 /nfs/dbraw/zinc/30/38/95/570303895.db2.gz CKNOUMOYIGNOBN-TVQFWRQISA-N 0 3 377.569 4.995 40 0 GJABHN COc1cc2ccccc2cc1C(=O)Nc1ccc(OC2CCN(C)CC2)cc1 ZINC000219397274 570358926 /nfs/dbraw/zinc/35/89/26/570358926.db2.gz NNXJSWYPRATNCK-UHFFFAOYSA-N 0 3 390.483 4.574 40 0 GJABHN CCCCOC(C(=O)OCCN(CC)CC)(c1ccccc1)c1ccccc1 ZINC000004430115 570375117 /nfs/dbraw/zinc/37/51/17/570375117.db2.gz CVLCOGYIYQYHQM-UHFFFAOYSA-N 0 3 383.532 4.632 40 0 GJABHN O=C(NCc1ccc2ccccc2c1)C1CCN(Cc2ccc(F)cc2)CC1 ZINC000222800661 570426392 /nfs/dbraw/zinc/42/63/92/570426392.db2.gz NQOKXZKNWCDUOU-UHFFFAOYSA-N 0 3 376.475 4.507 40 0 GJABHN O=c1c2ccccc2c(Cc2ccc(Cl)cc2)nn1CCCN1CCCCC1 ZINC000005604886 570448797 /nfs/dbraw/zinc/44/87/97/570448797.db2.gz DXUWCCYFBAVUKQ-UHFFFAOYSA-N 0 3 395.934 4.517 40 0 GJABHN CC(C)Sc1nnc(NC(=O)c2ccc(CN3CCC(C)CC3)cc2)s1 ZINC000223322646 570458033 /nfs/dbraw/zinc/45/80/33/570458033.db2.gz RXMDIIZNUHBIAP-UHFFFAOYSA-N 0 3 390.578 4.523 40 0 GJABHN COCc1cccc(NC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)c1 ZINC000223416284 570465329 /nfs/dbraw/zinc/46/53/29/570465329.db2.gz FIWUBPYGVGCENE-UHFFFAOYSA-N 0 3 386.495 4.644 40 0 GJABHN CCN1CCN(c2ccc(NC(=O)/C=C/c3ccc(C(C)C)cc3)cc2)CC1 ZINC000006517628 570482426 /nfs/dbraw/zinc/48/24/26/570482426.db2.gz XMGHFTYFNYEXMU-VGOFMYFVSA-N 0 3 377.532 4.604 40 0 GJABHN CCOCCCNCc1cc(Br)ccc1OCc1ccccc1F ZINC000008253165 570525692 /nfs/dbraw/zinc/52/56/92/570525692.db2.gz CYQUOJAGUNCRQQ-UHFFFAOYSA-N 0 3 396.300 4.683 40 0 GJABHN CCOc1cc(CNC(C)(C)CO)cc(Cl)c1OCc1ccccc1Cl ZINC000008254102 570526277 /nfs/dbraw/zinc/52/62/77/570526277.db2.gz QNKBEDMDCNYBET-UHFFFAOYSA-N 0 3 398.330 4.832 40 0 GJABHN CC(C)(Cc1ccccc1)NC(=O)c1ccc(CN2CCc3ccccc3C2)cc1 ZINC000225191911 570554850 /nfs/dbraw/zinc/55/48/50/570554850.db2.gz NIYPDTOKYLOEPL-UHFFFAOYSA-N 0 3 398.550 4.996 40 0 GJABHN C[C@H](NCc1cccc(OCc2cccnc2)c1)c1ccc2c(c1)OCCCO2 ZINC000012238331 570629616 /nfs/dbraw/zinc/62/96/16/570629616.db2.gz ZCUVRABTLQXCGS-SFHVURJKSA-N 0 3 390.483 4.673 40 0 GJABHN Clc1ccc(-n2c(SCCN3CCCCC3)nnc2-c2cccnc2)cc1 ZINC000004858621 570639202 /nfs/dbraw/zinc/63/92/02/570639202.db2.gz FDCJKPNIWXLCIS-UHFFFAOYSA-N 0 3 399.951 4.561 40 0 GJABHN Cc1ccccc1C(=O)NC1C[C@H]2CCC[C@@H](C1)N2Cc1ccccc1Cl ZINC000004888136 570642672 /nfs/dbraw/zinc/64/26/72/570642672.db2.gz YXRVMTSYWONUII-IHWFROFDSA-N 0 3 382.935 4.964 40 0 GJABHN COc1ccc(NC(=O)NC2C[C@H]3CCC[C@@H](C2)N3Cc2ccc(F)cc2)cc1 ZINC000004883130 570642811 /nfs/dbraw/zinc/64/28/11/570642811.db2.gz SGSXADHCDGJSNU-SEJPIABJSA-N 0 3 397.494 4.542 40 0 GJABHN COc1ccc(CN2[C@@H]3CCC[C@H]2CC(NC(=O)Nc2cccc(C)c2)C3)cc1 ZINC000004887954 570642873 /nfs/dbraw/zinc/64/28/73/570642873.db2.gz FJJZIDAYYKUCTC-FRIKZZABSA-N 0 3 393.531 4.711 40 0 GJABHN CC[C@@H](NC(=O)c1ccc(CN2CCC(C)CC2)cc1)c1ccc(OC)cc1 ZINC000044936478 570644240 /nfs/dbraw/zinc/64/42/40/570644240.db2.gz SQEYHTYWVMSQQD-HSZRJFAPSA-N 0 3 380.532 4.808 40 0 GJABHN CC(=O)NC1(c2ccccc2F)CCN(Cc2c(C)[nH]c3c2cccc3C)CC1 ZINC000012344569 570645126 /nfs/dbraw/zinc/64/51/26/570645126.db2.gz IXLVUNLPPWWRSG-UHFFFAOYSA-N 0 3 393.506 4.551 40 0 GJABHN Cc1nc(C)c(CN2CCC[C@]3(CCC(=O)N3Cc3ccc(C)cc3)CC2)s1 ZINC000585100735 570925300 /nfs/dbraw/zinc/92/53/00/570925300.db2.gz UYFFINDMWBNBDM-QHCPKHFHSA-N 0 3 397.588 4.616 40 0 GJABHN Cc1cccc(CN2CCC(C(=O)N[C@H](C)c3ccc4c(c3)CCCC4)CC2)c1 ZINC000222974673 222620674 /nfs/dbraw/zinc/62/06/74/222620674.db2.gz AFROBNVTSPNDEP-HXUWFJFHSA-N 0 3 390.571 4.963 40 0 GJABHN CC(=O)NC1(c2ccccc2F)CCN(Cc2oc3ccc(C)cc3c2C)CC1 ZINC000019220496 207107090 /nfs/dbraw/zinc/10/70/90/207107090.db2.gz COYODWOZHBGIFS-UHFFFAOYSA-N 0 3 394.490 4.816 40 0 GJABHN COc1cc(CN2[C@@H]3CC[C@H]2CC(O)(c2ccc(F)cc2)C3)ccc1OC(C)C ZINC000012345316 221184110 /nfs/dbraw/zinc/18/41/10/221184110.db2.gz BQKKSVWAFAUGSN-SVGJNIJCSA-N 0 3 399.506 4.636 40 0 GJABHN C=Cn1ncc(CN2CCC(c3cc4cc(OC)c(C)cc4cn3)CC2)c1C ZINC000019127198 221398193 /nfs/dbraw/zinc/39/81/93/221398193.db2.gz NKZMUSBECJAUIH-UHFFFAOYSA-N 0 3 376.504 4.537 40 0 GJABHN COc1cccc(CN2CCC[C@@H](c3nnc(-c4ccc(C)s4)o3)C2)c1OC ZINC000072390099 222246131 /nfs/dbraw/zinc/24/61/31/222246131.db2.gz APPIUCMPMYRERG-MRXNPFEDSA-N 0 3 399.516 4.503 40 0 GJABHN COc1ccc2c(c1Oc1ccccc1)[C@]13CCN(C)[C@H](C2)C1=CC=C(OC)C3 ZINC000253505528 560037442 /nfs/dbraw/zinc/03/74/42/560037442.db2.gz WZTKOQWLQWUDKG-BWKNWUBXSA-N 0 3 389.495 4.846 40 0 biogenic,in-vitro GJABHN CCOc1cccc(CN[C@H](C)[C@@H](O)c2ccccc2)c1OCc1ccccc1 ZINC000022076885 570320970 /nfs/dbraw/zinc/32/09/70/570320970.db2.gz FIDVHXZAKYEHDZ-NTKDMRAZSA-N 0 3 391.511 4.876 40 0 GJABHN COc1cc(CN[C@@H](C)[C@@H](O)c2ccccc2)ccc1OCCc1ccccc1 ZINC000022107671 570325651 /nfs/dbraw/zinc/32/56/51/570325651.db2.gz UNECLYAUMKSQFN-UQBPGWFLSA-N 0 3 391.511 4.528 40 0 GJABHN O=C(c1ccc(CN2CCc3ccccc3C2)cc1)N1CCCc2ccccc21 ZINC000022913893 570378968 /nfs/dbraw/zinc/37/89/68/570378968.db2.gz RJNIKIFOMYUPOO-UHFFFAOYSA-N 0 3 382.507 4.838 40 0 GJABHN CCOc1ccc(C(=O)NC2C[C@H]3CCC[C@@H](C2)N3Cc2ccc(F)cc2)cc1 ZINC000004887945 570415622 /nfs/dbraw/zinc/41/56/22/570415622.db2.gz DIUYXOZZHBREHZ-FRIKZZABSA-N 0 3 396.506 4.540 40 0 GJABHN CC(C)CSc1nnc(NC(=O)c2ccc(CN3CCCCC3)cc2)s1 ZINC000222899620 570430794 /nfs/dbraw/zinc/43/07/94/570430794.db2.gz QARILUHVBOUCTI-UHFFFAOYSA-N 0 3 390.578 4.524 40 0 GJABHN COc1ccc(CNCc2ccc(OCCc3ccccc3)c(OC)c2)cc1 ZINC000007540244 570508036 /nfs/dbraw/zinc/50/80/36/570508036.db2.gz DSFWQTWONKJMNW-UHFFFAOYSA-N 0 3 377.484 4.615 40 0 GJABHN CCc1ccc(O[C@H](CC)C(=O)NCc2ccccc2CN2CCCCC2)cc1 ZINC000224849815 570534127 /nfs/dbraw/zinc/53/41/27/570534127.db2.gz VQVDKYCHRDOKPG-XMMPIXPASA-N 0 3 394.559 4.709 40 0 GJABHN CCc1ccc(CC)c(CNC(=O)c2ccc(CN3CCC(C)CC3)cc2)c1 ZINC000225699504 570605569 /nfs/dbraw/zinc/60/55/69/570605569.db2.gz HWMQADQPAWGXRU-UHFFFAOYSA-N 0 3 378.560 4.973 40 0 GJABHN CCCO[C@](C)(CC(C)C)C(=O)Nc1ccc(OCCN2CCCCC2)cc1 ZINC000225734431 570610629 /nfs/dbraw/zinc/61/06/29/570610629.db2.gz KRMSHDBOGBUAPW-HSZRJFAPSA-N 0 3 390.568 4.721 40 0 GJABHN Cc1cc(-c2cnc(NC3CCN(Cc4ccccc4)CC3)nc2C(C)C)on1 ZINC000012186856 570621398 /nfs/dbraw/zinc/62/13/98/570621398.db2.gz CFDWOGMGNTWLDW-UHFFFAOYSA-N 0 3 391.519 4.640 40 0 GJABHN CC[C@H](NC(=O)[C@@H]1CCCN(Cc2ccc(F)cc2)C1)c1ccc(C)c(C)c1 ZINC000044856493 570637296 /nfs/dbraw/zinc/63/72/96/570637296.db2.gz KBHAMXYOIWBQCC-GGAORHGYSA-N 0 3 382.523 4.922 40 0 GJABHN Cc1ccc(CCCNC(=O)[C@H]2CCCN(Cc3ccccc3Cl)C2)cc1 ZINC000044909400 570642214 /nfs/dbraw/zinc/64/22/14/570642214.db2.gz ULDRDISZWDERRJ-NRFANRHFSA-N 0 3 384.951 4.609 40 0 GJABHN Cc1ccccc1C(=O)NC1C[C@H]2CCC[C@@H](C1)N2Cc1ccc(Cl)cc1 ZINC000004888140 570642544 /nfs/dbraw/zinc/64/25/44/570642544.db2.gz WKXQXTNZXKIBOU-SEJPIABJSA-N 0 3 382.935 4.964 40 0 GJABHN CC(C)C[C@H](NC(=O)C1CCN(Cc2ccc(F)cc2)CC1)c1ccccc1 ZINC000044936900 570644326 /nfs/dbraw/zinc/64/43/26/570644326.db2.gz VVRGCOJKJQKNOE-QHCPKHFHSA-N 0 3 382.523 4.941 40 0 GJABHN C[C@H](NC(=O)[C@H]1CCCN(Cc2ccc(F)cc2)C1)c1ccc2c(c1)CCCC2 ZINC000260941139 570714902 /nfs/dbraw/zinc/71/49/02/570714902.db2.gz RAEZAAZRMUJZOP-MBSDFSHPSA-N 0 3 394.534 4.794 40 0 GJABHN Cc1ccccc1CSCCNC(=O)c1ccc(CN2CCC(C)CC2)cc1 ZINC000020450212 207193133 /nfs/dbraw/zinc/19/31/33/207193133.db2.gz CKZCRYYHUWHNIA-UHFFFAOYSA-N 0 3 396.600 4.890 40 0 GJABHN Cc1c(CN2CCC[C@H](c3cc(Cc4cccc(F)c4)cc(C)n3)C2)cnn1C ZINC000072353981 208001842 /nfs/dbraw/zinc/00/18/42/208001842.db2.gz AUEGDZMJTOTZPO-NRFANRHFSA-N 0 3 392.522 4.541 40 0 GJABHN FC(F)(F)c1cccc(-c2nccnc2[C@H]2CCCN(Cc3cccnc3)C2)c1 ZINC000072358588 208003555 /nfs/dbraw/zinc/00/35/55/208003555.db2.gz DAZKYMHURASUOM-SFHVURJKSA-N 0 3 398.432 4.937 40 0 GJABHN COc1ccc(CN2CCC[C@@H](c3cccc(-n4ccnc4C(C)C)n3)C2)cc1 ZINC000072379123 208011215 /nfs/dbraw/zinc/01/12/15/208011215.db2.gz MVHIAGSPBUYBGR-HXUWFJFHSA-N 0 3 390.531 4.779 40 0 GJABHN Cc1ccc(CN2CCC3(C[C@@H](CC(=O)NC4CCC4)c4ccccc43)CC2)o1 ZINC000096052752 208254862 /nfs/dbraw/zinc/25/48/62/208254862.db2.gz IAOWQCWPUPIZPM-LJQANCHMSA-N 0 3 392.543 4.668 40 0 GJABHN COc1ccc(CNCc2ccc(OCc3ccc(Cl)nc3)c(OC)c2)cc1 ZINC000007538594 221001537 /nfs/dbraw/zinc/00/15/37/221001537.db2.gz WLLLLRLPVWCUOL-UHFFFAOYSA-N 0 3 398.890 4.621 40 0 GJABHN COc1ccc(C2(NCc3c[nH]nc3-c3cccc(OC)c3)CCCC2)cc1 ZINC000012143844 221159001 /nfs/dbraw/zinc/15/90/01/221159001.db2.gz WETWMRDDPMXMHR-UHFFFAOYSA-N 0 3 377.488 4.653 40 0 GJABHN Cc1cc(Nc2ccc(F)cc2)cc([C@H]2CCN(C(=O)c3ccccc3)C2)n1 ZINC000257311710 209072169 /nfs/dbraw/zinc/07/21/69/209072169.db2.gz UKRPWTLEBJOQRB-SFHVURJKSA-N 0 3 375.447 4.902 40 0 GJABHN O=C(Nc1ccc(N2CCCCC2)cc1)C1CCN(Cc2ccc(F)cc2)CC1 ZINC000096625611 136187335 /nfs/dbraw/zinc/18/73/35/136187335.db2.gz GIGQLVKHBBCETA-UHFFFAOYSA-N 0 3 395.522 4.667 40 0 GJABHN Cc1cccnc1[C@]1(O)CC[C@H]2CN(Cc3ccc(-c4ccccc4F)o3)C[C@H]21 ZINC000072392525 222248784 /nfs/dbraw/zinc/24/87/84/222248784.db2.gz PTMDSZULALRAOX-IQOKHDRSSA-N 0 3 392.474 4.519 40 0 GJABHN Cc1cccnc1[C@]1(O)CC[C@H]2CN(Cc3ccc(-c4ccc(F)cc4)o3)C[C@H]21 ZINC000072392526 222249054 /nfs/dbraw/zinc/24/90/54/222249054.db2.gz NOKHZTVSSXYTMM-VNZMSGEBSA-N 0 3 392.474 4.519 40 0 GJABHN Cc1cnc(Nc2cc(CC3CCN(Cc4ccc(C)nc4)CC3)ccn2)s1 ZINC000585262774 570230495 /nfs/dbraw/zinc/23/04/95/570230495.db2.gz DVNVVXHBCZPEGO-UHFFFAOYSA-N 0 3 393.560 4.748 40 0 GJABHN COc1ccc(NC(=O)NC2C[C@H]3CCC[C@@H](C2)N3Cc2ccc(C)cc2)cc1 ZINC000004887979 570415652 /nfs/dbraw/zinc/41/56/52/570415652.db2.gz XFOGBLJIRIVPMT-FRIKZZABSA-N 0 3 393.531 4.711 40 0 GJABHN CC(C)c1ccc(CCCNC(=O)[C@@H]2CCCN(Cc3ccc(F)cc3)C2)cc1 ZINC000222602089 570416382 /nfs/dbraw/zinc/41/63/82/570416382.db2.gz VPBHXVUCAGQVSY-HSZRJFAPSA-N 0 3 396.550 4.910 40 0 GJABHN CCN(CC)CCOC(=O)[C@@](O)(C1CCCCC1)[C@@H]1[C@H](C)CC[C@H](C)[C@@H]1C ZINC000005047938 570425849 /nfs/dbraw/zinc/42/58/49/570425849.db2.gz KGSXORVANNQUIT-QNTNZKOWSA-N 0 3 381.601 4.501 40 0 GJABHN CCC(=O)OC1(c2ccccc2)CCN(CCCC(=O)c2ccccc2)CC1 ZINC000005046331 570425928 /nfs/dbraw/zinc/42/59/28/570425928.db2.gz OABMFFJUPVFTDD-UHFFFAOYSA-N 0 3 379.500 4.594 40 0 GJABHN C[C@@H](NC(=O)[C@@H]1CCCN(Cc2ccc(F)cc2)C1)c1ccc2c(c1)CCCC2 ZINC000222992926 570435813 /nfs/dbraw/zinc/43/58/13/570435813.db2.gz RAEZAAZRMUJZOP-WZONZLPQSA-N 0 3 394.534 4.794 40 0 GJABHN Cc1ccc(CN2CCC(C(=O)Nc3cccc(Br)c3)CC2)cc1 ZINC000039772654 570446609 /nfs/dbraw/zinc/44/66/09/570446609.db2.gz MYSKLEGNPAXCTL-UHFFFAOYSA-N 0 3 387.321 4.608 40 0 GJABHN Nc1ccc2[nH]c(CCCCCCCCc3nc4cc(N)ccc4[nH]3)nc2c1 ZINC000006445401 570480364 /nfs/dbraw/zinc/48/03/64/570480364.db2.gz GTGKXQBMUAAJPI-UHFFFAOYSA-N 0 3 376.508 4.729 40 0 GJABHN Nc1ccc2[nH]c(CCCCCCCCc3nc4ccc(N)cc4[nH]3)nc2c1 ZINC000006445401 570480367 /nfs/dbraw/zinc/48/03/67/570480367.db2.gz GTGKXQBMUAAJPI-UHFFFAOYSA-N 0 3 376.508 4.729 40 0 GJABHN COc1cc(CNC[C@@H]2CCCO2)ccc1OCc1ccc(Cl)cc1Cl ZINC000008471671 570532456 /nfs/dbraw/zinc/53/24/56/570532456.db2.gz IQCKLWWMHYBNGR-KRWDZBQOSA-N 0 3 396.314 4.850 40 0 GJABHN Cc1cccc(NC(=S)NC2CCN(Cc3cccs3)CC2)c1Cl ZINC000225229881 570558158 /nfs/dbraw/zinc/55/81/58/570558158.db2.gz JKXVNFCIUXLLOB-UHFFFAOYSA-N 0 3 379.982 4.661 40 0 GJABHN CC1CCN(Cc2ccc(C(=O)NCc3cccc(C(F)(F)F)c3)cc2)CC1 ZINC000035818579 570558292 /nfs/dbraw/zinc/55/82/92/570558292.db2.gz NBGNLNNEXSPENR-UHFFFAOYSA-N 0 3 390.449 4.867 40 0 GJABHN CN1CCC(Oc2ccc(NC(=S)Nc3ccc(Cl)cc3)cc2)CC1 ZINC000225465813 570577224 /nfs/dbraw/zinc/57/72/24/570577224.db2.gz SSOXCKNSIAZOHX-UHFFFAOYSA-N 0 3 375.925 4.622 40 0 GJABHN O=C(Nc1ccc(OCCN2CCCC2)cc1)C1(c2ccccc2F)CCCC1 ZINC000225515643 570582701 /nfs/dbraw/zinc/58/27/01/570582701.db2.gz PGYCSNXDWILEAF-UHFFFAOYSA-N 0 3 396.506 4.751 40 0 GJABHN CCCO[C@@](C)(CC(C)C)C(=O)Nc1ccc(OCCN2CCCCC2)cc1 ZINC000225734397 570610713 /nfs/dbraw/zinc/61/07/13/570610713.db2.gz KRMSHDBOGBUAPW-QHCPKHFHSA-N 0 3 390.568 4.721 40 0 GJABHN CCCC[C@](C)(OCCC)C(=O)Nc1ccc(OCCN2CCCCC2)cc1 ZINC000225744901 570612282 /nfs/dbraw/zinc/61/22/82/570612282.db2.gz BLCGXQAOZYSLNA-QHCPKHFHSA-N 0 3 390.568 4.865 40 0 GJABHN Fc1ccc(CN2[C@@H]3CCC[C@H]2CC(NC(=S)NC2CCCCC2)C3)cc1 ZINC000004887936 570642571 /nfs/dbraw/zinc/64/25/71/570642571.db2.gz BLBVCNXVLVKROY-SEJPIABJSA-N 0 3 389.584 4.508 40 0 GJABHN Cc1ccc(CN2CCC(C(=O)N[C@@H]3CC(C)(C)Oc4ccccc43)CC2)cc1 ZINC000044918347 570643283 /nfs/dbraw/zinc/64/32/83/570643283.db2.gz JUNJTDLZLGKMCA-JOCHJYFZSA-N 0 3 392.543 4.626 40 0 GJABHN COc1ccc([C@@H](CC(C)C)NC(=O)C2CCN(Cc3ccccc3)CC2)cc1 ZINC000044937232 570644294 /nfs/dbraw/zinc/64/42/94/570644294.db2.gz NNSCVDGDCZOQCU-XMMPIXPASA-N 0 3 394.559 4.811 40 0 GJABHN CCN(Cc1nc(-c2cccnc2OC2CCCCC2)no1)C1CCCCC1 ZINC000012365417 570646775 /nfs/dbraw/zinc/64/67/75/570646775.db2.gz VRJZQRZIZHMCMX-UHFFFAOYSA-N 0 3 384.524 4.998 40 0 GJABHN Cc1ccc(C)c(NC(=O)CN2CCC(c3nc4ccc(Cl)cc4[nH]3)CC2)c1 ZINC000005625956 570665356 /nfs/dbraw/zinc/66/53/56/570665356.db2.gz YVHCVBKPGGBRNU-UHFFFAOYSA-N 0 3 396.922 4.651 40 0 GJABHN O=C(Nc1ccc(Cc2ccncc2)cc1)C1CCN(Cc2ccccc2)CC1 ZINC000057139448 570701169 /nfs/dbraw/zinc/70/11/69/570701169.db2.gz XXBBTSMGOPOYMB-UHFFFAOYSA-N 0 3 385.511 4.523 40 0 GJABHN O=C(Nc1cccc(C(F)(F)F)c1)C1CCN(Cc2ccc(F)cc2)CC1 ZINC000009063569 570786956 /nfs/dbraw/zinc/78/69/56/570786956.db2.gz IPMILGPCMHWXGV-UHFFFAOYSA-N 0 3 380.385 4.695 40 0 GJABHN COc1ccc(CN(Cc2ccncc2)C[C@H](C)c2ccccc2)cc1OC ZINC000013989942 570868316 /nfs/dbraw/zinc/86/83/16/570868316.db2.gz NSLVFAPXVHMTQG-IBGZPJMESA-N 0 3 376.500 4.905 40 0 GJABHN Cc1nc(C)c(CN2CCC[C@@]3(CCC(=O)N3CC3CCCCC3)CC2)s1 ZINC000585100594 570924794 /nfs/dbraw/zinc/92/47/94/570924794.db2.gz OZFAVUAHRUVFPS-JOCHJYFZSA-N 0 3 389.609 4.687 40 0 GJABHN O=C(c1ccc(Cl)cc1Cl)N1CCC[C@@H](N2CCc3ccccc3C2)C1 ZINC000408610700 231078278 /nfs/dbraw/zinc/07/82/78/231078278.db2.gz ROEIWOOYQMQPFS-GOSISDBHSA-N 0 3 389.326 4.656 40 0 GJABHN CCCc1ccc(OCCNC(=O)c2ccc(CN3CCC(C)CC3)cc2)cc1 ZINC000224332349 222654840 /nfs/dbraw/zinc/65/48/40/222654840.db2.gz BUFVBNHSERIWFP-UHFFFAOYSA-N 0 3 394.559 4.680 40 0 GJABHN CCN(CC)CCOC(=O)c1ccc(Nc2cc(C)c3ccccc3n2)cc1 ZINC000041127693 212118865 /nfs/dbraw/zinc/11/88/65/212118865.db2.gz 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ZINC000072353977 208001803 /nfs/dbraw/zinc/00/18/03/208001803.db2.gz WXWVXNQGSIKMFN-NRFANRHFSA-N 0 3 392.522 4.541 40 0 GJABHN FC(F)(F)c1cccc(-c2cncc([C@H]3CCCN(Cc4ccccn4)C3)n2)c1 ZINC000072359437 208002274 /nfs/dbraw/zinc/00/22/74/208002274.db2.gz MLRGLRIYRLWUGR-KRWDZBQOSA-N 0 3 398.432 4.937 40 0 GJABHN CNC(=O)c1sc2ccccc2c1C[C@H]1CCCCN1Cc1cnc(C)s1 ZINC000072370501 208006789 /nfs/dbraw/zinc/00/67/89/208006789.db2.gz GFRMZHNFCAKEGM-OAHLLOKOSA-N 0 3 399.585 4.623 40 0 GJABHN O=C(C[C@@H]1CC2(CCN(Cc3ccsc3)CC2)c2ccccc21)NCC1CC1 ZINC000096052665 208255369 /nfs/dbraw/zinc/25/53/69/208255369.db2.gz MSSUOKUHMJXOQE-HXUWFJFHSA-N 0 3 394.584 4.686 40 0 GJABHN Fc1cccc(-c2ccc3nc(C4CCN(Cc5cccs5)CC4)nn3c2)c1 ZINC000096038194 208256009 /nfs/dbraw/zinc/25/60/09/208256009.db2.gz IGHMHDKKPRQJIC-UHFFFAOYSA-N 0 3 392.503 4.977 40 0 GJABHN CCCC(=O)N(c1ccc(OC)cc1)C1CCN(CCc2ccccc2)CC1 ZINC000299817131 209094114 /nfs/dbraw/zinc/09/41/14/209094114.db2.gz FNVSEQCPMXWQKG-UHFFFAOYSA-N 0 3 380.532 4.535 40 0 in-vitro GJABHN CC(C)(C)C(=O)N[C@H](C[C@@H]1CCCCN1Cc1ccc(F)cc1)c1ccccn1 ZINC000019081715 221395873 /nfs/dbraw/zinc/39/58/73/221395873.db2.gz XLJKFBDXIWDMBR-RBBKRZOGSA-N 0 3 397.538 4.869 40 0 GJABHN FC(F)(F)c1cccc(-c2cncc(C3CCN(Cc4ccncc4)CC3)n2)c1 ZINC000072359400 222239715 /nfs/dbraw/zinc/23/97/15/222239715.db2.gz WSLOXHONQMLZEI-UHFFFAOYSA-N 0 3 398.432 4.937 40 0 GJABHN Cc1cc(-c2cncnc2)cc([C@@H]2CCCN2Cc2ccnc3ccccc23)n1 ZINC000072372448 222242735 /nfs/dbraw/zinc/24/27/35/222242735.db2.gz AVSYCSILNMRPAX-DEOSSOPVSA-N 0 3 381.483 4.732 40 0 GJABHN Cc1ccc(CN2CCC3(C[C@@H](CC(=O)NC(C)C)c4ccccc43)CC2)o1 ZINC000096052618 222374558 /nfs/dbraw/zinc/37/45/58/222374558.db2.gz AWZJKRUOXFOEDQ-LJQANCHMSA-N 0 3 380.532 4.524 40 0 GJABHN CC(C)(C)c1ccc(C(=O)N2CCC[C@@H](N3CCc4ccccc4C3)C2)cc1 ZINC000408608963 526762223 /nfs/dbraw/zinc/76/22/23/526762223.db2.gz NGSLUAZTRAEQJZ-HSZRJFAPSA-N 0 3 376.544 4.647 40 0 GJABHN COc1cc(CNC[C@@H](O)c2ccccc2)ccc1OCc1ccccc1Cl ZINC000022075104 570305150 /nfs/dbraw/zinc/30/51/50/570305150.db2.gz UFHOGLLBTUQNFZ-OAQYLSRUSA-N 0 3 397.902 4.751 40 0 GJABHN COc1cc(CNC[C@H](O)c2ccccc2)cc(Cl)c1OCc1ccccc1 ZINC000022075712 570305305 /nfs/dbraw/zinc/30/53/05/570305305.db2.gz JRAWRVHSVGLXSU-NRFANRHFSA-N 0 3 397.902 4.751 40 0 GJABHN COc1ccc(CN2CCCC[C@H]2c2nc(N)ncc2-c2ccc(F)cc2)cc1 ZINC000072376770 570340278 /nfs/dbraw/zinc/34/02/78/570340278.db2.gz HWJKRBSHGDITMN-NRFANRHFSA-N 0 3 392.478 4.601 40 0 GJABHN Cc1cccc(CN2CCC(C(=O)Nc3cccc(Br)c3)CC2)c1 ZINC000039761200 570445660 /nfs/dbraw/zinc/44/56/60/570445660.db2.gz JULZYDPWQTWOPH-UHFFFAOYSA-N 0 3 387.321 4.608 40 0 GJABHN CC[C@H](NC(=O)C1CCN(Cc2ccc(F)cc2)CC1)c1ccc(OC)c(C)c1 ZINC000223447004 570466671 /nfs/dbraw/zinc/46/66/71/570466671.db2.gz PDWIFCJUSHSSBC-QFIPXVFZSA-N 0 3 398.522 4.622 40 0 GJABHN CCOc1cc(CN[C@H](CC)CO)ccc1OCc1ccc(Cl)cc1Cl ZINC000008337085 570528573 /nfs/dbraw/zinc/52/85/73/570528573.db2.gz OGPIJKBOIYWCGW-QGZVFWFLSA-N 0 3 398.330 4.832 40 0 GJABHN FC(F)(F)c1ccc(NC(=S)NC2CCN(Cc3cccs3)CC2)cc1 ZINC000225231304 570557968 /nfs/dbraw/zinc/55/79/68/570557968.db2.gz RKHADYPWIXJJLC-UHFFFAOYSA-N 0 3 399.507 4.718 40 0 GJABHN COc1ccc(NC(=O)[C@H]2CCCN(Cc3ccccc3Cl)C2)cc1Cl ZINC000038850216 570587758 /nfs/dbraw/zinc/58/77/58/570587758.db2.gz PNXDMOYJAYAPKE-HNNXBMFYSA-N 0 3 393.314 4.853 40 0 GJABHN CCCCC[C@](C)(OCCC)C(=O)Nc1ccc(OCCN2CCCC2)cc1 ZINC000225749556 570612942 /nfs/dbraw/zinc/61/29/42/570612942.db2.gz GOVDWUSYIDZFGH-QHCPKHFHSA-N 0 3 390.568 4.865 40 0 GJABHN C[C@@H](NCc1cccc(OCc2cccnc2)c1)c1ccc2c(c1)OCCCO2 ZINC000012238325 570629518 /nfs/dbraw/zinc/62/95/18/570629518.db2.gz ZCUVRABTLQXCGS-GOSISDBHSA-N 0 3 390.483 4.673 40 0 GJABHN O=C(Nc1ccc(OC2CCCC2)cc1)[C@H]1CCCN(Cc2ccc(F)cc2)C1 ZINC000044917145 570643407 /nfs/dbraw/zinc/64/34/07/570643407.db2.gz LTBLOQKXXQMYCE-IBGZPJMESA-N 0 3 396.506 4.998 40 0 GJABHN Cc1cc(C)c([C@@H](C)NC(=O)[C@H]2CCCN(Cc3ccc(F)cc3)C2)cc1C ZINC000260941299 570715087 /nfs/dbraw/zinc/71/50/87/570715087.db2.gz SIRJPPKBGNFVKI-CTNGQTDRSA-N 0 3 382.523 4.840 40 0 GJABHN C[C@H](NC[C@@H](O)COCC(c1ccccc1)c1ccccc1)c1ccccc1 ZINC000040373202 570872578 /nfs/dbraw/zinc/87/25/78/570872578.db2.gz YXBCIFNYBRWTHM-GBXCKJPGSA-N 0 3 375.512 4.547 40 0 GJABHN Cc1ccc(CN2C(=O)CC[C@@]23CCCN(Cc2cccc(F)c2)CC3)cc1 ZINC000585100685 570925305 /nfs/dbraw/zinc/92/53/05/570925305.db2.gz SSXHGYJMWNAPGP-XMMPIXPASA-N 0 3 380.507 4.681 40 0 GJABHN Cc1cccc(CN2CCC[C@@H](c3nc4ccc(-c5cccs5)cn4n3)C2)n1 ZINC000306132608 570940479 /nfs/dbraw/zinc/94/04/79/570940479.db2.gz LNSVMSVOKIEBJP-GOSISDBHSA-N 0 3 389.528 4.541 40 0 GJABHN CC(=O)NC1(c2ccc(F)cc2)CCN(Cc2oc3ccc(C)cc3c2C)CC1 ZINC000019220494 570962774 /nfs/dbraw/zinc/96/27/74/570962774.db2.gz YRGZPPHGFSUOKL-UHFFFAOYSA-N 0 3 394.490 4.816 40 0 GJABHN COc1ccccc1CN1CC[C@@H](c2c3ccccc3sc2C(=O)N(C)C)C1 ZINC000585169363 570995882 /nfs/dbraw/zinc/99/58/82/570995882.db2.gz MVNMAYVOOWZVBN-QGZVFWFLSA-N 0 3 394.540 4.601 40 0 GJABHN Cc1noc2nc(C(C)C)cc(C(=O)Nc3ccccc3CN3CCCC3)c12 ZINC000019714746 571036343 /nfs/dbraw/zinc/03/63/43/571036343.db2.gz JKGIAYXXFFQNOB-UHFFFAOYSA-N 0 3 378.476 4.503 40 0 GJABHN