smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name NC(=O)C1CCN(Cc2cncc(-c3ccc(Cl)c(Cl)c3)c2)CC1 ZINC000037553703 205028138 /nfs/dbraw/zinc/02/81/38/205028138.db2.gz PVJKVJCEVHFBES-UHFFFAOYSA-N 0 3 364.276 3.753 10 0 FHAEHN CCC[C@](C)(N)C(=O)Nc1ccc(Br)cc1Br ZINC000037621950 205028771 /nfs/dbraw/zinc/02/87/71/205028771.db2.gz PPKIZFCWEQUEBP-LBPRGKRZSA-N 0 3 364.081 3.668 10 0 FHAEHN Cc1c(CN(Cc2ccccn2)CC(C)C)c(=O)n(-c2ccccc2)n1C ZINC000055107602 205206009 /nfs/dbraw/zinc/20/60/09/205206009.db2.gz DJNBCAUWIRBSLK-UHFFFAOYSA-N 0 3 364.493 3.538 10 0 FHAEHN CCOc1ccc(CN(CCN(C)C)Cc2sccc2C)cc1CO ZINC000055074079 205206637 /nfs/dbraw/zinc/20/66/37/205206637.db2.gz YSJWEYAMGWJYOK-UHFFFAOYSA-N 0 3 362.539 3.511 10 0 FHAEHN CCOc1cccc([C@H](C)NC(=O)N[C@H](CN(C)C)c2ccccc2)c1 ZINC000120279550 206107991 /nfs/dbraw/zinc/10/79/91/206107991.db2.gz OQDPODIRTKZTQX-OXJNMPFZSA-N 0 3 355.482 3.748 10 0 FHAEHN O=c1[n-]c(-c2ccc(C[N@@H+]3CCC[C@H]3c3ccccn3)cc2)nc2c1CCC2 ZINC000019841579 206334210 /nfs/dbraw/zinc/33/42/10/206334210.db2.gz QKDCMUXGMNYRIG-NRFANRHFSA-N 0 3 372.472 3.658 10 0 FHAEHN O=c1[n-]c(-c2ccc(C[N@H+]3CCC[C@H]3c3ccccn3)cc2)nc2c1CCC2 ZINC000019841579 206334216 /nfs/dbraw/zinc/33/42/16/206334216.db2.gz QKDCMUXGMNYRIG-NRFANRHFSA-N 0 3 372.472 3.658 10 0 FHAEHN Cc1cccnc1CNC[C@H]1Cn2c(-c3ccc(Cl)cc3)cnc2CO1 ZINC000096296369 560060252 /nfs/dbraw/zinc/06/02/52/560060252.db2.gz WZMQHMANHBJVFT-KRWDZBQOSA-N 0 3 368.868 3.596 10 0 FHAEHN CC(C)(C)OC(=O)N[C@H]1CCN[C@H](c2ccc(Br)c(F)c2)C1 ZINC000675055039 571176369 /nfs/dbraw/zinc/17/63/69/571176369.db2.gz PMUNTYLPIICXMO-FZMZJTMJSA-N 0 3 373.266 3.906 10 0 FHAEHN CC(C)(C)OC(=O)N[C@@H]1CCN[C@H](c2ccc(Br)c(F)c2)C1 ZINC000675055044 571176519 /nfs/dbraw/zinc/17/65/19/571176519.db2.gz PMUNTYLPIICXMO-RISCZKNCSA-N 0 3 373.266 3.906 10 0 FHAEHN CC(C)(C)OC(=O)N[C@@H]1CCN[C@@H](c2ccc(Br)cc2F)C1 ZINC000675055167 571176597 /nfs/dbraw/zinc/17/65/97/571176597.db2.gz QSYUEZBXGLJRNO-BXUZGUMPSA-N 0 3 373.266 3.906 10 0 FHAEHN CCCn1cnnc1[C@H]1CCCN(Cc2c[nH]nc2-c2cccs2)C1 ZINC000075552493 571199971 /nfs/dbraw/zinc/19/99/71/571199971.db2.gz YREMPRUOVLOMPT-AWEZNQCLSA-N 0 3 356.499 3.519 10 0 FHAEHN CN[C@H](c1ccc(I)cc1)c1ccc(OC)c(C)c1 ZINC000035506226 204295023 /nfs/dbraw/zinc/29/50/23/204295023.db2.gz NUVYKUDVVOXFLL-MRXNPFEDSA-N 0 3 367.230 3.917 10 0 FHAEHN COc1cccc(CN(CCC(C)C)C[C@@H](O)COCC(C)C)c1OC ZINC000036097296 205003680 /nfs/dbraw/zinc/00/36/80/205003680.db2.gz KQCSGAGDTPGJSH-LJQANCHMSA-N 0 3 367.530 3.585 10 0 FHAEHN NCc1nc(Oc2cccc(I)c2)ccc1Cl ZINC000051570541 205184484 /nfs/dbraw/zinc/18/44/84/205184484.db2.gz NXXPUAHPGXPZDX-UHFFFAOYSA-N 0 3 360.582 3.591 10 0 FHAEHN CC(=O)OCc1c(C)cc(C)c(CN(C)Cc2n[nH]c3c2CCC3)c1C ZINC000055327867 205215452 /nfs/dbraw/zinc/21/54/52/205215452.db2.gz FRTSPYKIPRJAFU-UHFFFAOYSA-N 0 3 355.482 3.519 10 0 FHAEHN Cc1cc(C)c(CS(=O)(=O)C(C)C(=O)N[C@@H](C)c2ccccc2)c(C)c1 ZINC000067225807 205368836 /nfs/dbraw/zinc/36/88/36/205368836.db2.gz XZVGPDLEKAOVHZ-ROUUACIJSA-N 0 3 373.518 3.793 10 0 FHAEHN COc1ccc(CN2CCC[C@@H](N3CCc4ccccc4C3)C2)c(OC)c1 ZINC000022851978 206335213 /nfs/dbraw/zinc/33/52/13/206335213.db2.gz GPIOCKIRXCCWRF-OAQYLSRUSA-N 0 3 366.505 3.727 10 0 FHAEHN CCN1CCN(c2ccc(NC(=O)c3cccc4ccccc43)cc2N)CC1 ZINC000226263264 132374731 /nfs/dbraw/zinc/37/47/31/132374731.db2.gz QMWKRWGSDAFTKD-UHFFFAOYSA-N 0 3 374.488 3.816 10 0 FHAEHN CN(C)CCN1c2cc(Cl)ccc2C(=O)N[C@@H]1c1ccc(Cl)cc1 ZINC000001849133 132382601 /nfs/dbraw/zinc/38/26/01/132382601.db2.gz BWQDZTIDRDNPPW-KRWDZBQOSA-N 0 3 364.276 3.804 10 0 FHAEHN Cn1ccnc1[C@H]1OCCC[C@@H]1NCc1ccc(F)cc1C(F)(F)F ZINC000275723335 527471752 /nfs/dbraw/zinc/47/17/52/527471752.db2.gz ZELFBQHSBXCCAM-GJZGRUSLSA-N 0 3 357.351 3.588 10 0 FHAEHN CCOc1cccc(CN2CC[C@H](c3nc4cccnc4n3CC)C2)c1 ZINC000065285348 570872746 /nfs/dbraw/zinc/87/27/46/570872746.db2.gz IASXNBQFLUZTHU-KRWDZBQOSA-N 0 3 350.466 3.839 10 0 FHAEHN Cn1cc(CNCc2ccc(-n3cccn3)cc2)c(-c2ccccc2F)n1 ZINC000013637101 571109202 /nfs/dbraw/zinc/10/92/02/571109202.db2.gz OBOYTDLPARAFAZ-UHFFFAOYSA-N 0 3 361.424 3.702 10 0 FHAEHN Cc1c([C@@H](C)NC2CSCCSC2)cnn1-c1ccc(F)cc1F ZINC000012452892 571129540 /nfs/dbraw/zinc/12/95/40/571129540.db2.gz JNWQVSQDAKSHLW-LLVKDONJSA-N 0 3 369.506 3.958 10 0 FHAEHN COc1c(O)cccc1[C@@H](O)C1CCN(CCc2ccc(F)cc2)CC1 ZINC000012480529 571172889 /nfs/dbraw/zinc/17/28/89/571172889.db2.gz DVDGOKMQDYFKFY-FQEVSTJZSA-N 0 3 359.441 3.528 10 0 FHAEHN Cc1ccc(F)c(NC(=O)c2cccnc2SCCN2CCCC2)c1 ZINC000033308529 571232256 /nfs/dbraw/zinc/23/22/56/571232256.db2.gz FUZGKYZGDFINDL-UHFFFAOYSA-N 0 3 359.470 3.969 10 0 FHAEHN CN(Cc1cc(C(N)=O)cs1)C[C@H]1CCc2nc(C(F)(F)F)cn2C1 ZINC000328624799 571324754 /nfs/dbraw/zinc/32/47/54/571324754.db2.gz COYBYJZQLJEQJX-SNVBAGLBSA-N 0 3 372.416 3.541 10 0 FHAEHN CN(Cc1nc2ccccc2o1)C[C@@H]1CCc2nc(C(F)(F)F)cn2C1 ZINC000328646570 571325947 /nfs/dbraw/zinc/32/59/47/571325947.db2.gz SSBROZYPWCEPAV-LBPRGKRZSA-N 0 3 364.371 3.738 10 0 FHAEHN C[C@@H]1Cc2cc([C@@H](N)c3ccccc3I)ccc2O1 ZINC000037176396 204534087 /nfs/dbraw/zinc/53/40/87/204534087.db2.gz LKVOHMCZGISBMI-QLJPJBMISA-N 0 3 365.214 3.663 10 0 FHAEHN CC[C@H](C)N(CC)[C@@H](CN)c1cc(Br)c(Br)o1 ZINC000050361790 205177709 /nfs/dbraw/zinc/17/77/09/205177709.db2.gz IMETUWYRWGEUFB-WPRPVWTQSA-N 0 3 368.113 3.925 10 0 FHAEHN O=C(/C=C/c1ccco1)Nc1cccnc1SCCN1CCCCC1 ZINC000064754565 205302767 /nfs/dbraw/zinc/30/27/67/205302767.db2.gz AOKWVNPZBZMXJJ-CMDGGOBGSA-N 0 3 357.479 3.905 10 0 FHAEHN c1ccc2c(c1)CC[C@H]2CCN1CCN(c2cccc3c2OCCO3)CC1 ZINC000003776870 132251596 /nfs/dbraw/zinc/25/15/96/132251596.db2.gz OARKPUCUFAIZCW-IBGZPJMESA-N 0 3 364.489 3.700 10 0 in-vitro FHAEHN C[C@H](C[NH2+]Cc1nnc(COc2ccccc2)[n-]1)c1cccc(Cl)c1 ZINC000188550781 567924024 /nfs/dbraw/zinc/92/40/24/567924024.db2.gz XNQCWQDSIOCGLA-CQSZACIVSA-N 0 3 356.857 3.930 10 0 FHAEHN C[C@@H](C[NH2+]Cc1nnc(COc2ccccc2)[n-]1)c1cccc(Cl)c1 ZINC000188550762 567924029 /nfs/dbraw/zinc/92/40/29/567924029.db2.gz XNQCWQDSIOCGLA-AWEZNQCLSA-N 0 3 356.857 3.930 10 0 FHAEHN CC[C@@H]1CN(CCCOc2cccc(C(F)(F)F)c2)CCN1CCOC ZINC000106113417 568645125 /nfs/dbraw/zinc/64/51/25/568645125.db2.gz GDUODNHDMIZTKE-QGZVFWFLSA-N 0 3 374.447 3.517 10 0 FHAEHN COc1ccc(N(C(C)=O)C2CCN(Cc3ccccc3)CC2)cc1OC ZINC000034347889 570668119 /nfs/dbraw/zinc/66/81/19/570668119.db2.gz HDNMNIHGIYASFI-UHFFFAOYSA-N 0 3 368.477 3.721 10 0 FHAEHN COc1ccc(CN2CCC3(C[C@@H]3N(C)Cc3nccs3)CC2)cc1 ZINC000275604333 570721491 /nfs/dbraw/zinc/72/14/91/570721491.db2.gz INBQAAXOVLIHCH-SFHVURJKSA-N 0 3 357.523 3.638 10 0 FHAEHN CCC(=O)N(c1ccccc1)[C@H]1CCN(C[C@H](O)c2ccccc2)C[C@@H]1C ZINC000005458899 204209256 /nfs/dbraw/zinc/20/92/56/204209256.db2.gz FRPRNNRJTCONEC-NYVOZVTQSA-N 0 3 366.505 3.874 10 0 in-man FHAEHN COc1ccc2c(c1)[C@@H](C1CCN(CCO)CC1)Oc1ccccc1S2 ZINC000005514509 204212600 /nfs/dbraw/zinc/21/26/00/204212600.db2.gz ZKLVJNUBXVJHPI-OAQYLSRUSA-N 0 3 371.502 3.984 10 0 FHAEHN C[C@@H](N[C@@H](C)C(=O)N1CCCCCC1)c1cccc(Br)c1 ZINC000037984438 204767037 /nfs/dbraw/zinc/76/70/37/204767037.db2.gz QXHKRNQVLWLBCO-KGLIPLIRSA-N 0 3 353.304 3.891 10 0 FHAEHN COCCCN(Cc1cc(C)ccc1C)C[C@H](O)COc1ccccc1 ZINC000036097379 205003343 /nfs/dbraw/zinc/00/33/43/205003343.db2.gz VCFQTQCSVGTPSW-NRFANRHFSA-N 0 3 357.494 3.582 10 0 FHAEHN NC[C@H](Oc1cccc(I)c1)c1ccccc1F ZINC000043048435 205098944 /nfs/dbraw/zinc/09/89/44/205098944.db2.gz CHFQLYDZLNDZKZ-AWEZNQCLSA-N 0 3 357.166 3.509 10 0 FHAEHN Cc1cc(C)c(CS(=O)(=O)C(C)C(=O)N[C@@H](C)c2ccccc2)c(C)c1 ZINC000067225810 205368135 /nfs/dbraw/zinc/36/81/35/205368135.db2.gz XZVGPDLEKAOVHZ-ZWKOTPCHSA-N 0 3 373.518 3.793 10 0 FHAEHN CCN1CCN(c2ccc(N)cc2NC(=O)c2ccc(C)cc2Cl)CC1 ZINC000226259372 132374798 /nfs/dbraw/zinc/37/47/98/132374798.db2.gz XPQVWPZMVHQRDT-UHFFFAOYSA-N 0 3 372.900 3.625 10 0 FHAEHN COc1ccccc1CNC[C@H]1Cn2cc(-c3ccc(C)cc3)nc2CO1 ZINC000096296303 560060326 /nfs/dbraw/zinc/06/03/26/560060326.db2.gz GULVBKVBEDAFLH-IBGZPJMESA-N 0 3 363.461 3.556 10 0 FHAEHN COc1cc([C@@H]2N[C@H](C)Cc3c4ccccc4[nH]c32)cc(OC)c1OC ZINC000020572554 570919836 /nfs/dbraw/zinc/91/98/36/570919836.db2.gz CNUHJGQYBHUQKW-BLVKFPJESA-N 0 3 352.434 3.817 10 0 FHAEHN O=C1N(CCC2CCCCC2)CCC[C@@]12CCN(Cc1ccncc1)C2 ZINC000012437404 571104600 /nfs/dbraw/zinc/10/46/00/571104600.db2.gz SSSJRPKVDFJYTN-QFIPXVFZSA-N 0 3 355.526 3.867 10 0 FHAEHN CN(C)CCNC(=O)c1cc2occc2c(Nc2ccc(Cl)cc2)n1 ZINC000035503211 571177863 /nfs/dbraw/zinc/17/78/63/571177863.db2.gz OORRZDIORFPLPN-UHFFFAOYSA-N 0 3 358.829 3.516 10 0 FHAEHN CN(Cc1cc(C(N)=O)cs1)C[C@@H]1CCc2nc(C(F)(F)F)cn2C1 ZINC000328624798 571324692 /nfs/dbraw/zinc/32/46/92/571324692.db2.gz COYBYJZQLJEQJX-JTQLQIEISA-N 0 3 372.416 3.541 10 0 FHAEHN COc1ccc([C@@H](CNC(=O)C23CC4CC(CC(C4)C2)C3)N(C)C)cc1 ZINC000010018929 204389048 /nfs/dbraw/zinc/38/90/48/204389048.db2.gz IFMSBWWPIDGFKP-ILYDUKKLSA-N 0 3 356.510 3.631 10 0 FHAEHN NC[C@H](Oc1cccc(I)c1)c1cccc(F)c1 ZINC000042974102 205098874 /nfs/dbraw/zinc/09/88/74/205098874.db2.gz OLGWOQCMXMWYQA-AWEZNQCLSA-N 0 3 357.166 3.509 10 0 FHAEHN O=C(Cc1cccc(F)c1)Nc1cccnc1SCCN1CCCCC1 ZINC000064754560 205303363 /nfs/dbraw/zinc/30/33/63/205303363.db2.gz CSPIILQTHVVYNJ-UHFFFAOYSA-N 0 3 373.497 3.980 10 0 FHAEHN CCN1CCN(c2ccc(N)cc2NC(=O)c2ccc(C)c(Cl)c2)CC1 ZINC000226259333 132250344 /nfs/dbraw/zinc/25/03/44/132250344.db2.gz VPYNYKLUJQOQJZ-UHFFFAOYSA-N 0 3 372.900 3.625 10 0 FHAEHN c1cc2c(nc(NC3CCCC3)cc2-c2ccc(N3CCNCC3)cc2)[nH]1 ZINC000072409132 136145281 /nfs/dbraw/zinc/14/52/81/136145281.db2.gz HZGMYAFBXOYFGD-UHFFFAOYSA-N 0 3 361.493 3.994 10 0 FHAEHN CC[C@@]1(N2CCN(C(C)C)CC2)CCCN(C(=O)OC(C)(C)C)CC1 ZINC000725265494 570539236 /nfs/dbraw/zinc/53/92/36/570539236.db2.gz IKVROQZHEMYFOJ-HXUWFJFHSA-N 0 3 353.551 3.582 10 0 FHAEHN CC(C)(C)OC(=O)N[C@H]1CCN[C@H](c2cc(F)cc(Br)c2)C1 ZINC000675054333 571158180 /nfs/dbraw/zinc/15/81/80/571158180.db2.gz NGDXQKSNNFWAFH-KBPBESRZSA-N 0 3 373.266 3.906 10 0 FHAEHN Cc1c2ccccc2oc1-c1nnc2sc(CCN3CCCC3)nn21 ZINC000096194445 571334866 /nfs/dbraw/zinc/33/48/66/571334866.db2.gz WFIRHHOXEZIAKS-UHFFFAOYSA-N 0 3 353.451 3.546 10 0 FHAEHN CN[C@H](c1cccc(I)c1)c1ccc(OC)c(C)c1 ZINC000035506221 204295295 /nfs/dbraw/zinc/29/52/95/204295295.db2.gz VBYSAVGANQGBSS-MRXNPFEDSA-N 0 3 367.230 3.917 10 0 FHAEHN COc1ccc([C@H](CNC(=O)c2ccc(C(F)(F)F)cc2)N(C)C)cc1 ZINC000010018936 204388567 /nfs/dbraw/zinc/38/85/67/204388567.db2.gz UHCOFCIBHPAGGA-KRWDZBQOSA-N 0 3 366.383 3.747 10 0 FHAEHN COCCCN(Cc1ccc(C)s1)C[C@@H](O)COc1ccccc1C ZINC000036101422 205005622 /nfs/dbraw/zinc/00/56/22/205005622.db2.gz UHJYJAVYGULDSU-GOSISDBHSA-N 0 3 363.523 3.643 10 0 FHAEHN O=C(Nc1ccccc1CN1CCCC1)c1cc2c(c(Cl)c1)OCO2 ZINC000041970983 205092499 /nfs/dbraw/zinc/09/24/99/205092499.db2.gz ISFFZYPUPQEKSG-UHFFFAOYSA-N 0 3 358.825 3.917 10 0 FHAEHN COc1ccc(NC(=O)c2cccnc2SCCN2CCCCC2)cc1 ZINC000046159060 205133192 /nfs/dbraw/zinc/13/31/92/205133192.db2.gz OFYPDKSAJUNLPZ-UHFFFAOYSA-N 0 3 371.506 3.921 10 0 FHAEHN CN(c1ccccc1)[C@@H](CN)c1cc(Br)c(Br)o1 ZINC000050361545 205178418 /nfs/dbraw/zinc/17/84/18/205178418.db2.gz UTLFMKIDYXRPMM-NSHDSACASA-N 0 3 374.076 3.941 10 0 FHAEHN CC(C)CN1CCCC[C@H]1C(=O)N1CC=C(c2c[nH]c3ncccc23)CC1 ZINC000065590767 205360458 /nfs/dbraw/zinc/36/04/58/205360458.db2.gz WPAHBXBBQYFHRO-FQEVSTJZSA-N 0 3 366.509 3.689 10 0 FHAEHN CC(C)c1cc(N2CCNCC2)nc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000073662834 132376811 /nfs/dbraw/zinc/37/68/11/132376811.db2.gz GVKOCSBYTCWCCP-UHFFFAOYSA-N 0 3 350.388 3.695 10 0 FHAEHN CCC[C@H](C(=O)N1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1)N(C)C ZINC000161752296 567965877 /nfs/dbraw/zinc/96/58/77/567965877.db2.gz WKPZEGHTZLLXMM-VXGBXAGGSA-N 0 3 363.449 3.598 10 0 FHAEHN CCCCc1cc(=O)[n-]c(-c2ccc(C[NH+]3CCC(COC)CC3)cc2)n1 ZINC000048063494 570934213 /nfs/dbraw/zinc/93/42/13/570934213.db2.gz JPKAPQJOROGPCX-UHFFFAOYSA-N 0 3 369.509 3.638 10 0 FHAEHN CCN1CCC[C@@H]1CNC(=O)c1ccc(-c2cc(-c3ccccc3)n[nH]2)cc1 ZINC000022664490 571145308 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CCCN(Cc1ccc(C)cc1)Cc1cc(=O)n2nc(C(C)C)sc2n1 ZINC000046032320 570920464 /nfs/dbraw/zinc/92/04/64/570920464.db2.gz ITPOXIJCMHIPSU-UHFFFAOYSA-N 0 3 370.522 3.995 10 0 FHAEHN CC(C)(C)OC(=O)N[C@H]1CCN[C@@H](c2cccc(Br)c2)C1 ZINC000675052785 571148261 /nfs/dbraw/zinc/14/82/61/571148261.db2.gz FDDMSQBNUPRRQJ-UONOGXRCSA-N 0 3 355.276 3.767 10 0 FHAEHN CCCn1cnnc1C1CCN(Cc2c[nH]nc2-c2cccs2)CC1 ZINC000075552369 571199977 /nfs/dbraw/zinc/19/99/77/571199977.db2.gz LYNBYQQGJLECBB-UHFFFAOYSA-N 0 3 356.499 3.519 10 0 FHAEHN CCn1ccnc1[C@H]1OCCC[C@@H]1NCc1cc2cc(OC)ccc2o1 ZINC000190424537 571203981 /nfs/dbraw/zinc/20/39/81/571203981.db2.gz WNHXJTDIPRVCHU-HKUYNNGSSA-N 0 3 355.438 3.668 10 0 FHAEHN CCN(C)C[C@H](CO)NC(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000675058460 571271701 /nfs/dbraw/zinc/27/17/01/571271701.db2.gz HLWANWVOWIBDJO-XMMPIXPASA-N 0 3 374.528 3.881 10 0 FHAEHN Cc1noc([C@H](N[C@H]2CCC[C@@H]2Cc2ccccc2)C2CCOCC2)n1 ZINC000328627976 571325034 /nfs/dbraw/zinc/32/50/34/571325034.db2.gz 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CCNc1ncc(CN2CCC[C@@]3(C=Cc4ccccc4O3)CC2)cn1 ZINC000065461642 221221512 /nfs/dbraw/zinc/22/15/12/221221512.db2.gz VRGRNCQQSHIVBV-OAQYLSRUSA-N 0 3 350.466 3.739 10 0 FHAEHN Cc1ccc(-c2nc(NCCN3CCCC3)ncc2-c2ccc(N)nc2)cc1 ZINC000065489902 221224338 /nfs/dbraw/zinc/22/43/38/221224338.db2.gz MGLBMPYWVNRECY-UHFFFAOYSA-N 0 3 374.492 3.604 10 0 FHAEHN COc1cc(CN2CCCC23CCN(c2ccc(C)nn2)CC3)ccc1F ZINC000072423712 136146198 /nfs/dbraw/zinc/14/61/98/136146198.db2.gz HLNVUNBYIIKGFB-UHFFFAOYSA-N 0 3 370.472 3.568 10 0 FHAEHN C[C@@H](N[C@H](C)c1ccc(F)c(Cl)c1)c1ccc(S(N)(=O)=O)cc1 ZINC000121520291 568089106 /nfs/dbraw/zinc/08/91/06/568089106.db2.gz JDVFWHCWYMIXLR-GHMZBOCLSA-N 0 3 356.850 3.538 10 0 FHAEHN CCOC(=O)C1(c2ccccc2)CCN(CC[C@H](O)c2ccccc2)CC1 ZINC000004214141 570581317 /nfs/dbraw/zinc/58/13/17/570581317.db2.gz IPOPQVVNCFQFRK-NRFANRHFSA-N 0 3 367.489 3.707 10 0 in-man FHAEHN CC(C)(C)OC(=O)N[C@H]1CCN[C@H](c2ccc(Br)cc2F)C1 ZINC000675055168 571176559 /nfs/dbraw/zinc/17/65/59/571176559.db2.gz QSYUEZBXGLJRNO-FZMZJTMJSA-N 0 3 373.266 3.906 10 0 FHAEHN COc1ccc([C@@H](CNC(=O)CSc2ccccc2C)N(C)C)cc1 ZINC000003454055 571349950 /nfs/dbraw/zinc/34/99/50/571349950.db2.gz LZTIBBXIOUQBGU-GOSISDBHSA-N 0 3 358.507 3.515 10 0 FHAEHN CCc1ncc(CN2CC[C@]3(C2)CCCN(Cc2ccc(F)cc2)C3)cn1 ZINC000012712684 220021658 /nfs/dbraw/zinc/02/16/58/220021658.db2.gz NMEWITNUYDQTAS-JOCHJYFZSA-N 0 3 368.500 3.666 10 0 FHAEHN Fc1ccc(-c2cnnc(NC[C@@H]3CCN(Cc4ccccc4)C3)n2)cc1 ZINC000012708822 220019687 /nfs/dbraw/zinc/01/96/87/220019687.db2.gz WEWQEENVBDVLJV-KRWDZBQOSA-N 0 3 363.440 3.612 10 0 FHAEHN Clc1cccc(-c2ccc(CN3CCC[C@H](N4CCOCC4)C3)o2)c1 ZINC000019743212 220291092 /nfs/dbraw/zinc/29/10/92/220291092.db2.gz NUMGVQONJSHELV-SFHVURJKSA-N 0 3 360.885 3.897 10 0 FHAEHN Cc1nc(Cc2ccccc2)sc1C(=O)N[C@H](CC(C)C)CN(C)C ZINC000072026497 221396884 /nfs/dbraw/zinc/39/68/84/221396884.db2.gz SRMWBGBZHBAVAW-QGZVFWFLSA-N 0 3 359.539 3.748 10 0 FHAEHN O=C(Nc1ccccc1Br)C1CCN(c2ccncc2)CC1 ZINC000033128908 136117511 /nfs/dbraw/zinc/11/75/11/136117511.db2.gz JZGLAJOHTDIUKS-UHFFFAOYSA-N 0 3 360.255 3.699 10 0 FHAEHN COc1ccc(-c2cn3c(n2)CO[C@@H](CNCc2ccc(C)cc2)C3)cc1 ZINC000096269245 222107626 /nfs/dbraw/zinc/10/76/26/222107626.db2.gz NDMLQMQZJIQOPL-FQEVSTJZSA-N 0 3 363.461 3.556 10 0 FHAEHN Cc1cc(C(=O)N[C@@H](CN(C)C)c2ccccc2)c(C)n1-c1nccs1 ZINC000097285740 222172287 /nfs/dbraw/zinc/17/22/87/222172287.db2.gz UEHCGJSABBTODA-SFHVURJKSA-N 0 3 368.506 3.583 10 0 FHAEHN CC(C)C[C@H](CN(C)C)NC(=O)N[C@@H](c1nc2ccccc2[nH]1)C(C)C ZINC000097394645 222179225 /nfs/dbraw/zinc/17/92/25/222179225.db2.gz VAAMLPZZNGLHNQ-CRAIPNDOSA-N 0 3 359.518 3.536 10 0 FHAEHN O=C(N[C@H]1CCCN(Cc2ccccc2)C1)c1ccc(-n2cccc2)cc1 ZINC000106109630 222382417 /nfs/dbraw/zinc/38/24/17/222382417.db2.gz MSGZKSQKXZDRTD-NRFANRHFSA-N 0 3 359.473 3.872 10 0 FHAEHN COc1cccc(CN2CCC[C@H](NCc3csc(C(C)=O)c3)C2)c1 ZINC000020915232 525941677 /nfs/dbraw/zinc/94/16/77/525941677.db2.gz GPVVFRWZQSOUCD-SFHVURJKSA-N 0 3 358.507 3.714 10 0 FHAEHN CCOC(=O)C1=CC2=C3[C@H]4N1c1ccccc1[C@@]4(CC)CCN3CCC2 ZINC000334163019 528618415 /nfs/dbraw/zinc/61/84/15/528618415.db2.gz UOGHMAVLVKHQAS-IFMALSPDSA-N 0 3 350.462 3.737 10 0 FHAEHN Cc1ccc([C@H](CNC(=O)N2CCC[C@H](C(F)(F)F)C2)N(C)C)cc1 ZINC000065470394 568046081 /nfs/dbraw/zinc/04/60/81/568046081.db2.gz DMJCPIYSEHGIAO-HOTGVXAUSA-N 0 3 357.420 3.582 10 0 FHAEHN O=C(N[C@@H]1CCCNC[C@@H]1F)OCC1c2ccccc2-c2ccccc21 ZINC000725262086 570526739 /nfs/dbraw/zinc/52/67/39/570526739.db2.gz UWSBXSGYRGPLDO-VQTJNVASSA-N 0 3 354.425 3.615 10 0 FHAEHN CC[C@]1(N2CCN(CC(C)C)CC2)CCCN(C(=O)OC(C)(C)C)CC1 ZINC000725265703 570539771 /nfs/dbraw/zinc/53/97/71/570539771.db2.gz VGZHKZRVEAJAPV-NRFANRHFSA-N 0 3 367.578 3.830 10 0 FHAEHN CCOC(=O)C1(c2ccccc2)CCN(CCOCc2ccccc2)CC1 ZINC000004214975 570581285 /nfs/dbraw/zinc/58/12/85/570581285.db2.gz UVTBZAWTRVBTMK-UHFFFAOYSA-N 0 3 367.489 3.800 10 0 in-man FHAEHN CN(Cc1ccc(Cl)cn1)C[C@@H]1CCc2nc(C(F)(F)F)cn2C1 ZINC000328643588 571325738 /nfs/dbraw/zinc/32/57/38/571325738.db2.gz RMBJMHIVBNTJDN-NSHDSACASA-N 0 3 358.795 3.645 10 0 FHAEHN