smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1cc(CN2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc(OC)c1OC ZINC000005010319 539399432 /nfs/dbraw/zinc/39/94/32/539399432.db2.gz GVOZKRLLOJPRDA-CVEARBPZSA-N 0 3 370.449 2.493 50 0 FEAAHN COc1ccc2nc(C)cc(NCCc3ccc(S(N)(=O)=O)cc3)c2c1 ZINC000008491242 539487656 /nfs/dbraw/zinc/48/76/56/539487656.db2.gz JHNUZFMOOSCPHZ-UHFFFAOYSA-N 0 3 371.462 2.276 50 0 FEAAHN Cn1ccnc1SCCNCc1c[nH]nc1-c1ccc2c(c1)OCO2 ZINC000011664047 539531697 /nfs/dbraw/zinc/53/16/97/539531697.db2.gz QSGSWTWXLALWPO-UHFFFAOYSA-N 0 3 357.439 2.421 50 0 FEAAHN COc1ccc(CNCCn2cc(C(=O)NCc3cccs3)nn2)cc1 ZINC000011997310 539540021 /nfs/dbraw/zinc/54/00/21/539540021.db2.gz YWRRKIYKFNSPCV-UHFFFAOYSA-N 0 3 371.466 2.068 50 0 FEAAHN O=C(Nc1ccc2c(c1)CN(CCCn1cccn1)CC2)[C@@H]1CCCO1 ZINC000012300314 539553225 /nfs/dbraw/zinc/55/32/25/539553225.db2.gz DEMTVAXXRFPLIW-IBGZPJMESA-N 0 3 354.454 2.449 50 0 FEAAHN CN(C)[C@H]1CCN(C(=O)c2coc(COc3cccc(F)c3F)n2)C1 ZINC000012438709 539560543 /nfs/dbraw/zinc/56/05/43/539560543.db2.gz CQDZDYASHVGAFJ-NSHDSACASA-N 0 3 351.353 2.308 50 0 FEAAHN Cc1ccc2c(c1)CN(CCC(=O)NCCCn1ccnc1)C[C@@H](C)O2 ZINC000014995057 539609150 /nfs/dbraw/zinc/60/91/50/539609150.db2.gz QYCKLEBBBSZSIQ-QGZVFWFLSA-N 0 3 356.470 2.371 50 0 FEAAHN CC(C)S(=O)(=O)N1CC[C@@H](C2CCN(Cc3cccnc3)CC2)C1 ZINC000015063746 539610832 /nfs/dbraw/zinc/61/08/32/539610832.db2.gz PWIHTMVJMQORJW-GOSISDBHSA-N 0 3 351.516 2.354 50 0 FEAAHN COc1ccc(N2C(=O)C[C@@H](NCCc3cccc(OC)c3)C2=O)cc1 ZINC000019556288 539661444 /nfs/dbraw/zinc/66/14/44/539661444.db2.gz QFWRFBNGXFLFID-GOSISDBHSA-N 0 3 354.406 2.168 50 0 FEAAHN CC[C@@H](c1n[nH]c2c1CN(C(=O)C[C@@H]1CNCCO1)CC2)c1ccccc1 ZINC000023619419 539717509 /nfs/dbraw/zinc/71/75/09/539717509.db2.gz ZJRLKLWPWNPSPE-IAGOWNOFSA-N 0 3 368.481 2.215 50 0 FEAAHN CCN1CCN(c2ccc(NC(=O)CNC(=O)C(C)(C)C)c(C)c2)CC1 ZINC000029375435 539852233 /nfs/dbraw/zinc/85/22/33/539852233.db2.gz OKPAMCIQYQQALM-UHFFFAOYSA-N 0 3 360.502 2.238 50 0 FEAAHN CN(C)Cc1ccccc1NC(=O)c1ccc2c(c1)CCN2S(C)(=O)=O ZINC000031232454 539901973 /nfs/dbraw/zinc/90/19/73/539901973.db2.gz KHWOGQYLEYUQHW-UHFFFAOYSA-N 0 3 373.478 2.323 50 0 FEAAHN Cc1nc2sc3c(c2c2nc(OCCN(C)C)nn21)CC(C)(C)OC3 ZINC000031816195 539920301 /nfs/dbraw/zinc/92/03/01/539920301.db2.gz NNIYOLDQPFPXEA-UHFFFAOYSA-N 0 3 361.471 2.439 50 0 FEAAHN CC(C)NC(=O)N1CCC[C@@H](c2cccc(C(=O)NCCN(C)C)c2)C1 ZINC000033264331 539972808 /nfs/dbraw/zinc/97/28/08/539972808.db2.gz YOAJNEBXCWEMDE-GOSISDBHSA-N 0 3 360.502 2.275 50 0 FEAAHN O=S(=O)([N-]C[C@H]1CCC[NH2+]C1)c1ccc(Br)cc1Cl ZINC000044502379 540128940 /nfs/dbraw/zinc/12/89/40/540128940.db2.gz KGEVUFHVSCWLTQ-VIFPVBQESA-N 0 3 367.696 2.380 50 0 FEAAHN O=C(NCCc1ccc(C(F)(F)F)cc1)NC[C@@H](O)CN1CCCCC1 ZINC000049172633 540383358 /nfs/dbraw/zinc/38/33/58/540383358.db2.gz UKBWSSQVIBIADE-MRXNPFEDSA-N 0 3 373.419 2.394 50 0 FEAAHN C/C=C(\C)CN1CCC([C@@]2(Cc3cccc(OC)c3)NC(=O)NC2=O)CC1 ZINC000067895810 541526452 /nfs/dbraw/zinc/52/64/52/541526452.db2.gz NMOOORDYFWPXNJ-LTVHSIDISA-N 0 3 371.481 2.494 50 0 FEAAHN O=C1[N-]C(=O)[C@](c2cccnc2)(C2CC[NH+](CCc3ccccc3)CC2)N1 ZINC000067982164 541535520 /nfs/dbraw/zinc/53/55/20/541535520.db2.gz QCGMIXLALGKMNC-OAQYLSRUSA-N 0 3 364.449 2.071 50 0 FEAAHN COC(=O)c1sccc1NC(=O)CN1CCN(C2CCCCC2)CC1 ZINC000071775381 541772270 /nfs/dbraw/zinc/77/22/70/541772270.db2.gz VHWMWJJQGKRBPD-UHFFFAOYSA-N 0 3 365.499 2.424 50 0 FEAAHN Cn1ncc2c1nc(C1CCCC1)nc2NC[C@@H](O)CN1CCCCC1 ZINC000072144790 541788073 /nfs/dbraw/zinc/78/80/73/541788073.db2.gz UYFHZIBBMLYBLG-OAHLLOKOSA-N 0 3 358.490 2.280 50 0 FEAAHN Cn1cc(CN2C[C@H](c3ccc4c(c3)OCO4)[C@@H]3[C@H]2C2CCN3CC2)cn1 ZINC000072149665 541789184 /nfs/dbraw/zinc/78/91/84/541789184.db2.gz LKGLUXOJMJIHIO-DUXKGJEZSA-N 0 3 366.465 2.211 50 0 FEAAHN OC[C@H]1CCN(Cc2c(-c3ccc(F)cc3)nc3ccccn32)C[C@H]1O ZINC000072150416 541789932 /nfs/dbraw/zinc/78/99/32/541789932.db2.gz POEWOXHSQMCSKO-CRAIPNDOSA-N 0 3 355.413 2.316 50 0 FEAAHN CC(=O)Nc1ccc(CN2CCc3[nH]cnc3[C@@H]2c2nccn2C)cc1 ZINC000072156107 541791508 /nfs/dbraw/zinc/79/15/08/541791508.db2.gz HTVWAOTXXJALAD-GOSISDBHSA-N 0 3 350.426 2.249 50 0 FEAAHN COC[C@@]12CC[C@@H](N3CCOCC3)C[C@H]1CCN(Cc1ccncc1)C2 ZINC000072162572 541792196 /nfs/dbraw/zinc/79/21/96/541792196.db2.gz HCXIHAFRDGWBNX-NJYVYQBISA-N 0 3 359.514 2.421 50 0 FEAAHN O=C(CCN1CCCC1=O)N1C[C@H](c2ccccc2)[C@@H]2[C@H]1C1CCN2CC1 ZINC000072163400 541793458 /nfs/dbraw/zinc/79/34/58/541793458.db2.gz VSQHPCYEVUSESS-STZQEDGTSA-N 0 3 367.493 2.088 50 0 FEAAHN Cc1ccccc1CN1CC[C@H](CNS(=O)(=O)NCc2ccccc2)C1 ZINC000072164904 541793521 /nfs/dbraw/zinc/79/35/21/541793521.db2.gz RCLPJNDINMBYLA-LJQANCHMSA-N 0 3 373.522 2.441 50 0 FEAAHN Cc1c(O)cccc1C(=O)N1CCC[C@@]2(CCC(=O)N(CCN(C)C)C2)C1 ZINC000072411581 541807626 /nfs/dbraw/zinc/80/76/26/541807626.db2.gz LBWRKGKPJKXPAS-NRFANRHFSA-N 0 3 373.497 2.107 50 0 FEAAHN Cc1nc2c(s1)CCC[C@@H]2NC(=O)CCc1cc2n(n1)CCCNC2 ZINC000072417873 541808447 /nfs/dbraw/zinc/80/84/47/541808447.db2.gz JDDLNNMTZVPTAC-HNNXBMFYSA-N 0 3 359.499 2.268 50 0 FEAAHN Cc1nn(CCn2ccnc2-c2cc3n(n2)CCCNC3)c(C)c1Cl ZINC000072428191 541812097 /nfs/dbraw/zinc/81/20/97/541812097.db2.gz YRJPUUFFLPAXTD-UHFFFAOYSA-N 0 3 359.865 2.407 50 0 FEAAHN Cc1ccnc([C@H](NC(=O)CCc2cc3n(n2)CCCNC3)C2CC2)c1 ZINC000072439792 541815049 /nfs/dbraw/zinc/81/50/49/541815049.db2.gz YOEKKOBNTNYYMS-HXUWFJFHSA-N 0 3 353.470 2.280 50 0 FEAAHN O=C(c1cnc[n-]c1=O)N1CCC[C@]2(CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000072429482 541811462 /nfs/dbraw/zinc/81/14/62/541811462.db2.gz ZPNIIIYMMCDBDG-NRFANRHFSA-N 0 3 366.465 2.288 50 0 FEAAHN O=C(c1cnc[n-]c1=O)N1CCC[C@]2(CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000072429482 541811464 /nfs/dbraw/zinc/81/14/64/541811464.db2.gz ZPNIIIYMMCDBDG-NRFANRHFSA-N 0 3 366.465 2.288 50 0 FEAAHN Cc1nccn1Cc1ccccc1NC(=O)CCc1cc2n(n1)CCNC2 ZINC000072481515 541822659 /nfs/dbraw/zinc/82/26/59/541822659.db2.gz FJPMXVHCLODCGC-UHFFFAOYSA-N 0 3 364.453 2.111 50 0 FEAAHN C[C@H]1CCCc2sc3ncn4nc(C(=O)NCCN(C)C)nc4c3c21 ZINC000002348539 204035473 /nfs/dbraw/zinc/03/54/73/204035473.db2.gz YOBNPDDGTGZJPC-JTQLQIEISA-N 0 3 358.471 2.070 50 0 FEAAHN COc1c(C)cnc(CN2CCC(C(N)=O)(N3CCCCC3)CC2)c1C ZINC000004626521 204152267 /nfs/dbraw/zinc/15/22/67/204152267.db2.gz MQWKAXVEPPAFCN-UHFFFAOYSA-N 0 3 360.502 2.013 50 0 FEAAHN COc1cc2[nH]c(C(=O)N(C)C3CCN(C)CC3)cc2c(OC)c1OC ZINC000005345736 204205235 /nfs/dbraw/zinc/20/52/35/204205235.db2.gz GWJMEDYYTNDKMB-UHFFFAOYSA-N 0 3 361.442 2.360 50 0 FEAAHN CCOC(=O)c1c(C)c(C(=O)N(C)C)sc1NC(=O)CNC(C)(C)C ZINC000007988181 204313809 /nfs/dbraw/zinc/31/38/09/204313809.db2.gz LVBIUFLHPLKIHX-UHFFFAOYSA-N 0 3 369.487 2.262 50 0 FEAAHN CCOc1cc(CN[C@H](CC)CO)ccc1OCC(=O)NC(C)(C)C ZINC000008337082 204327246 /nfs/dbraw/zinc/32/72/46/204327246.db2.gz KPVNGZLDUUQFQC-OAHLLOKOSA-N 0 3 352.475 2.239 50 0 FEAAHN COCCNCc1ccc(Oc2nnnn2-c2ccccc2)c(OC)c1 ZINC000009194016 204358288 /nfs/dbraw/zinc/35/82/88/204358288.db2.gz XYWZRXHNDMJFLE-UHFFFAOYSA-N 0 3 355.398 2.199 50 0 FEAAHN COCCNC(=O)CCC1CCN(Cc2ccc3c(c2)OCCO3)CC1 ZINC000011709045 204412562 /nfs/dbraw/zinc/41/25/62/204412562.db2.gz SAMHIDFOKALTTO-UHFFFAOYSA-N 0 3 362.470 2.213 50 0 FEAAHN COC(=O)c1sc(NC(=O)CCN2CCCC2)c(C(=O)OC)c1C ZINC000010035371 204390498 /nfs/dbraw/zinc/39/04/98/204390498.db2.gz FXZJPRCAXXKSIQ-UHFFFAOYSA-N 0 3 354.428 2.054 50 0 FEAAHN Cc1cnc(CNC(=O)C2(N3CCCCC3)Cc3ccccc3C2)cn1 ZINC000015073678 204602361 /nfs/dbraw/zinc/60/23/61/204602361.db2.gz RWTWRACLOXRHKB-UHFFFAOYSA-N 0 3 350.466 2.425 50 0 FEAAHN Cc1c(C(=O)NC[C@@H]2CCCN3CCCC[C@H]23)sc2[nH]cnc(=O)c12 ZINC000079191191 205058772 /nfs/dbraw/zinc/05/87/72/205058772.db2.gz MTRQIYCIQFNYAL-QWHCGFSZSA-N 0 3 360.483 2.287 50 0 FEAAHN COc1cccc(CNC[C@H](C)O)c1OCC(=O)Nc1ccc(C)cc1 ZINC000040743982 205080197 /nfs/dbraw/zinc/08/01/97/205080197.db2.gz SRLKMPUYKVMNNE-HNNXBMFYSA-N 0 3 358.438 2.492 50 0 FEAAHN CC(C(=O)N[C@@H](C)c1cccc(OCc2ccccn2)c1)S(C)(=O)=O ZINC000055647880 205221604 /nfs/dbraw/zinc/22/16/04/205221604.db2.gz AGJMYBFCTCMMBE-UONOGXRCSA-N 0 3 362.451 2.271 50 0 FEAAHN O=C(NCCCCN1CCN(Cc2ccccc2)CC1)c1cccnc1 ZINC000056993633 205234457 /nfs/dbraw/zinc/23/44/57/205234457.db2.gz FTTSMDXSIQEZMY-UHFFFAOYSA-N 0 3 352.482 2.409 50 0 FEAAHN CN(C)CCn1c(=O)oc2ccc(NC(=O)c3ccc4[nH]cnc4c3)cc21 ZINC000057558179 205242841 /nfs/dbraw/zinc/24/28/41/205242841.db2.gz YJQNKONSOONSKJ-UHFFFAOYSA-N 0 3 365.393 2.285 50 0 FEAAHN COCCN1CC[C@@H](CNC(=O)c2ccc(C)c(NC(=O)C3CC3)c2)C1 ZINC000055393645 205217449 /nfs/dbraw/zinc/21/74/49/205217449.db2.gz HWOJJRJLWRVUOQ-HNNXBMFYSA-N 0 3 359.470 2.042 50 0 FEAAHN CN(C)C(=O)COc1ccccc1CNC[C@H]1COc2ccccc2C1 ZINC000058165876 205251695 /nfs/dbraw/zinc/25/16/95/205251695.db2.gz XJGRNPIMQNXQOB-INIZCTEOSA-N 0 3 354.450 2.495 50 0 FEAAHN Cc1cc(N2CCN(C(=O)c3scc4c3CCCC4)CC2)nc(N)n1 ZINC000065458150 205351570 /nfs/dbraw/zinc/35/15/70/205351570.db2.gz NVTOZZHZODXUSO-UHFFFAOYSA-N 0 3 357.483 2.270 50 0 FEAAHN Cc1cc(C)n(CC[C@H]2CC(=O)Nc3c2cnn3C2CCN(C)CC2)n1 ZINC000065507352 205356885 /nfs/dbraw/zinc/35/68/85/205356885.db2.gz LWGOIDWMFNXOLE-HNNXBMFYSA-N 0 3 356.474 2.479 50 0 FEAAHN CCNc1cc(N2CCN(C(=O)c3cccc(OC)c3)CC2)nc(C)n1 ZINC000065362013 205338784 /nfs/dbraw/zinc/33/87/84/205338784.db2.gz JTALAQPURYACNH-UHFFFAOYSA-N 0 3 355.442 2.188 50 0 FEAAHN Cc1ccsc1[C@@H](CNC(=O)c1cc2n(n1)CCCN(C)C2)N(C)C ZINC000065370991 205339008 /nfs/dbraw/zinc/33/90/08/205339008.db2.gz MKFRCXZDINDYJS-MRXNPFEDSA-N 0 3 361.515 2.121 50 0 FEAAHN O=C(N[C@@H]1CCC[C@H]1OCc1ccccc1)c1cc2n(n1)CCCNC2 ZINC000065370558 205339455 /nfs/dbraw/zinc/33/94/55/205339455.db2.gz LTFRUKPAWTXHPW-IEBWSBKVSA-N 0 3 354.454 2.244 50 0 FEAAHN O=c1c2c3c(sc2ncn1CCc1nc2c(s1)CCC2)CNCC3 ZINC000065372891 205342182 /nfs/dbraw/zinc/34/21/82/205342182.db2.gz MKEKTKYITUMBQK-UHFFFAOYSA-N 0 3 358.492 2.292 50 0 FEAAHN CCN(CC)Cc1cnc2c(C(=O)N(C)Cc3ccccn3)cnn2c1 ZINC000067588053 205376930 /nfs/dbraw/zinc/37/69/30/205376930.db2.gz MOARWBLBMVBORY-UHFFFAOYSA-N 0 3 352.442 2.238 50 0 FEAAHN Cc1nc(N2CCCC2)cc(N2CCN(C(=O)c3cccc(F)c3)CC2)n1 ZINC000067622391 205378007 /nfs/dbraw/zinc/37/80/07/205378007.db2.gz ULWMYPNSHYPMJO-UHFFFAOYSA-N 0 3 369.444 2.487 50 0 FEAAHN CN(C[C@H]1CCN(C)C1)C(=O)c1coc(COc2ccc3c(c2)OCO3)n1 ZINC000067788086 205390657 /nfs/dbraw/zinc/39/06/57/205390657.db2.gz XQCISONSWZLIAB-ZDUSSCGKSA-N 0 3 373.409 2.006 50 0 FEAAHN COc1cccc(OCc2cc(C(=O)N(C)C[C@@H]3CCCN3C)n[nH]2)c1 ZINC000067817306 205394722 /nfs/dbraw/zinc/39/47/22/205394722.db2.gz PSFIGOMCHZARCR-HNNXBMFYSA-N 0 3 358.442 2.164 50 0 FEAAHN CN(C)[C@@H]1CCN(C(=O)c2cc(CN(C)CCc3ccccc3)on2)C1 ZINC000067847645 205396162 /nfs/dbraw/zinc/39/61/62/205396162.db2.gz ORXVQTFIJXRXCK-QGZVFWFLSA-N 0 3 356.470 2.125 50 0 FEAAHN CCn1c(=O)n(C)nc1[C@@H]1CCCN(C2CCN(c3ccccc3)CC2)C1 ZINC000067856232 205397455 /nfs/dbraw/zinc/39/74/55/205397455.db2.gz RVBUBVXAFQZXNJ-QGZVFWFLSA-N 0 3 369.513 2.450 50 0 FEAAHN CC(C)c1nccn1CCCNC(=O)c1ccc(N2CCN[C@H](C)C2)nc1 ZINC000067879391 205399496 /nfs/dbraw/zinc/39/94/96/205399496.db2.gz URJYHEBLHUHJIG-MRXNPFEDSA-N 0 3 370.501 2.020 50 0 FEAAHN C[C@H](CNC(=O)Nc1cccc(N2CCNC2=O)c1)N1CCC[C@@H](C)C1 ZINC000105682061 206008759 /nfs/dbraw/zinc/00/87/59/206008759.db2.gz WRBCFWLPJJFROZ-HUUCEWRRSA-N 0 3 359.474 2.458 50 0 FEAAHN O=C1C[C@H](c2ccccc2)N(C[C@@H](O)COc2ccc(F)cc2)CCN1 ZINC000106629220 206014857 /nfs/dbraw/zinc/01/48/57/206014857.db2.gz BCSPZAAVPTZKOL-IEBWSBKVSA-N 0 3 358.413 2.129 50 0 FEAAHN CCn1c2ccccc2nc1[C@@H]1CCCN1C(=O)CNC[C@H]1CCCO1 ZINC000236997760 206030817 /nfs/dbraw/zinc/03/08/17/206030817.db2.gz VAJDQRCSUKZWNR-QAPCUYQASA-N 0 3 356.470 2.488 50 0 FEAAHN CN(CCNC(=O)N[C@@H]1CC(=O)N(c2ccccc2)C1)Cc1ccccc1 ZINC000005123253 206190265 /nfs/dbraw/zinc/19/02/65/206190265.db2.gz MWOZCTNXJZQAAZ-GOSISDBHSA-N 0 3 366.465 2.223 50 0 FEAAHN C[C@H](CNC(=O)Nc1cccc(N2CCNC2=O)c1)N1CCC[C@H](C)C1 ZINC000105682066 206232928 /nfs/dbraw/zinc/23/29/28/206232928.db2.gz 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COC(=O)c1ccccc1-n1nnnc1C1(N)C2CC3CC(C2)CC1C3 ZINC000035615878 539983848 /nfs/dbraw/zinc/98/38/48/539983848.db2.gz RCIKMICZMUPVRM-UHFFFAOYSA-N 0 3 353.426 2.059 50 0 FEAAHN CCNc1cc(NCCNC(=O)Nc2ccc(OC)cc2OC)nc(C)n1 ZINC000036708107 539992580 /nfs/dbraw/zinc/99/25/80/539992580.db2.gz MPJKGZHJFAMYSU-UHFFFAOYSA-N 0 3 374.445 2.468 50 0 FEAAHN O=C(Nc1ccc(OCCN2CCCCC2)cc1)c1nc2ncccn2n1 ZINC000036618718 539991452 /nfs/dbraw/zinc/99/14/52/539991452.db2.gz AVDWUHMGPDLSQE-UHFFFAOYSA-N 0 3 366.425 2.241 50 0 FEAAHN CC1(C)NC(=O)N(CCCN(Cc2cccs2)C[C@@H]2CCCO2)C1=O ZINC000041626457 540027990 /nfs/dbraw/zinc/02/79/90/540027990.db2.gz ODSMLIMVXVQUER-AWEZNQCLSA-N 0 3 365.499 2.450 50 0 FEAAHN Cc1cc(C)cc(C(=O)N2CCC[C@@H](C(=O)NCCN3CCCC3)C2)c1 ZINC000044887587 540144418 /nfs/dbraw/zinc/14/44/18/540144418.db2.gz BBYMCAMTILCFKT-GOSISDBHSA-N 0 3 357.498 2.368 50 0 FEAAHN C[C@@H]1CCCN(CCNC(=O)NCCNC(=O)c2ccccc2Cl)C1 ZINC000045570404 540217151 /nfs/dbraw/zinc/21/71/51/540217151.db2.gz AAZSZLKEVRBHLT-CQSZACIVSA-N 0 3 366.893 2.101 50 0 FEAAHN CC(C)(C)N1CCCN(C(=O)NC[C@H]2CCN(CC(F)(F)F)C2)CC1 ZINC000058161008 540830219 /nfs/dbraw/zinc/83/02/19/540830219.db2.gz CTSMJRRRASDSDK-CQSZACIVSA-N 0 3 364.456 2.386 50 0 FEAAHN CC(C)S(=O)(=O)C(C)C(=O)NCCOc1ccc(C(F)(F)F)cc1 ZINC000058208779 540833573 /nfs/dbraw/zinc/83/35/73/540833573.db2.gz XHTVNAGIGPZHOL-LLVKDONJSA-N 0 3 367.389 2.412 50 0 FEAAHN CCCn1cc(C(=O)N2CCN(C3CCN(C)CC3)CC2)c2cccnc21 ZINC000065216808 541228807 /nfs/dbraw/zinc/22/88/07/541228807.db2.gz LWYZDBSDLZRWMS-UHFFFAOYSA-N 0 3 369.513 2.298 50 0 FEAAHN CCOCCCNC(=O)c1ccnc(N2CCN[C@@H](c3ccccc3)C2)c1 ZINC000065256393 541230777 /nfs/dbraw/zinc/23/07/77/541230777.db2.gz WFRBGXFORYZYTD-LJQANCHMSA-N 0 3 368.481 2.389 50 0 FEAAHN CCCSc1ncc(CN2CC3(C[C@H]2C(=O)[O-])CC[NH2+]CC3)cn1 ZINC000072146993 541787998 /nfs/dbraw/zinc/78/79/98/541787998.db2.gz CWQQHAAEVCEIAY-AWEZNQCLSA-N 0 3 350.488 2.007 50 0 FEAAHN NC(=O)COc1cccc(CN2CCCN(Cc3ccccc3F)CC2)c1 ZINC000072153436 541790842 /nfs/dbraw/zinc/79/08/42/541790842.db2.gz IBUIDMPLTHYHKD-UHFFFAOYSA-N 0 3 371.456 2.398 50 0 FEAAHN Cn1ccnc1CN1C[C@@H](c2ccc3c(c2)OCO3)[C@@H]2[C@H]1C1CCN2CC1 ZINC000072169448 541794993 /nfs/dbraw/zinc/79/49/93/541794993.db2.gz LZJMGTFXDAQSHQ-ZLGUVYLKSA-N 0 3 366.465 2.211 50 0 FEAAHN O=C(c1ccc2c(c1)CCNC2)N1CCC2(CC1)c1ccccc1C[C@H]2O ZINC000072167804 541795099 /nfs/dbraw/zinc/79/50/99/541795099.db2.gz WGKXONFTZJOWCU-OAQYLSRUSA-N 0 3 362.473 2.423 50 0 FEAAHN NC(=O)[C@H]1CCCN(CCNc2cc(-c3ccccc3)nc3ccnn32)C1 ZINC000072406973 541805721 /nfs/dbraw/zinc/80/57/21/541805721.db2.gz GUWBGHCUMCREMH-INIZCTEOSA-N 0 3 364.453 2.006 50 0 FEAAHN C[C@H](CCNC(=O)c1cccc(CCC(C)(C)O)c1)N1CCN(C)CC1 ZINC000072430880 541812882 /nfs/dbraw/zinc/81/28/82/541812882.db2.gz ZGEGGALCEMEDCN-QGZVFWFLSA-N 0 3 361.530 2.146 50 0 FEAAHN C[C@H](CN1CCc2ccccc2C1)n1ccnc1-c1cc2n(n1)CCNC2 ZINC000072457535 541817148 /nfs/dbraw/zinc/81/71/48/541817148.db2.gz DLTYECSXVSQWKI-MRXNPFEDSA-N 0 3 362.481 2.469 50 0 FEAAHN c1cnn(-c2ccccc2Cn2ccnc2-c2cc3n(n2)CCCNC3)c1 ZINC000072470171 541818788 /nfs/dbraw/zinc/81/87/88/541818788.db2.gz LNMRASJVCQBDOG-UHFFFAOYSA-N 0 3 359.437 2.474 50 0 FEAAHN COc1ccc([C@H](CNC(=O)Cn2c3ccccc3oc2=O)N(C)C)cc1 ZINC000013150518 220060006 /nfs/dbraw/zinc/06/00/06/220060006.db2.gz MQWLYQJRTCZFAA-KRWDZBQOSA-N 0 3 369.421 2.022 50 0 FEAAHN CCN1CCN(C[C@@H](C)CNC(=O)c2cccc(OC(F)F)c2)CC1 ZINC000075572748 542189873 /nfs/dbraw/zinc/18/98/73/542189873.db2.gz KMKOWCKQADDMKP-AWEZNQCLSA-N 0 3 355.429 2.291 50 0 FEAAHN Cc1ncc2c(c1-c1noc(-c3cccc(-n4cnnc4)c3)n1)CCNC2 ZINC000020454066 211281373 /nfs/dbraw/zinc/28/13/73/211281373.db2.gz BDIKPZHCQBTOGY-UHFFFAOYSA-N 0 3 359.393 2.333 50 0 FEAAHN c1ccc(-n2nnnc2SCCNCc2ccc3c(c2)OCCO3)cc1 ZINC000016552346 211162414 /nfs/dbraw/zinc/16/24/14/211162414.db2.gz UJYLLZKVNGIUPL-UHFFFAOYSA-N 0 3 369.450 2.315 50 0 FEAAHN CC[C@H](C)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H](C(C)C)N[C@@]21c2cccc(C)c2NC1=O ZINC000016022002 211152972 /nfs/dbraw/zinc/15/29/72/211152972.db2.gz YHJBFALZYUQLJS-KPTJMHEGSA-N 0 3 369.465 2.170 50 0 FEAAHN CCOC(=O)c1ccc(-n2nnnc2C2(N)C3CC4CC(C3)CC2C4)cc1 ZINC000015414419 211128146 /nfs/dbraw/zinc/12/81/46/211128146.db2.gz YNSHGCZOTIDOAS-UHFFFAOYSA-N 0 3 367.453 2.449 50 0 FEAAHN O=C(CC[C@@H]1CCCN(Cc2ccc3c(c2)OCCO3)C1)N1CCOCC1 ZINC000014981205 211110352 /nfs/dbraw/zinc/11/03/52/211110352.db2.gz PWBJMYOTYUJLGD-KRWDZBQOSA-N 0 3 374.481 2.309 50 0 FEAAHN CNC(=O)c1nn(CC2CCCCC2)c2c1C[C@H](N(C)CCOC)CC2 ZINC000014741618 211099935 /nfs/dbraw/zinc/09/99/35/211099935.db2.gz KENCXAYGTYYCLF-MRXNPFEDSA-N 0 3 362.518 2.259 50 0 FEAAHN C[C@@H]1CCCc2sc3ncn4nc(C(=O)NCCN(C)C)nc4c3c21 ZINC000002348540 210393502 /nfs/dbraw/zinc/39/35/02/210393502.db2.gz YOBNPDDGTGZJPC-SNVBAGLBSA-N 0 3 358.471 2.070 50 0 FEAAHN CCCOc1c(Br)cc(CNCCOCCO)cc1OC ZINC000020933028 220345451 /nfs/dbraw/zinc/34/54/51/220345451.db2.gz XWZJSNOWVCFWPN-UHFFFAOYSA-N 0 3 362.264 2.345 50 0 FEAAHN CN1CCN(CC[C@H]2CCCCN2C(=O)c2ccc3c(c2)OCO3)CC1 ZINC000065288776 221195478 /nfs/dbraw/zinc/19/54/78/221195478.db2.gz JPTVTNFJOUFZER-QGZVFWFLSA-N 0 3 359.470 2.048 50 0 FEAAHN COc1ccc2c(c1)[C@H](NC(=O)CN1CCCN(C)CC1)CC(C)(C)O2 ZINC000065397351 221211067 /nfs/dbraw/zinc/21/10/67/221211067.db2.gz GTLIMFDKGVKBTL-QGZVFWFLSA-N 0 3 361.486 2.051 50 0 FEAAHN CC(C)N(C[C@H]1COc2ccccc2O1)C(=O)c1cc2n(n1)CCCNC2 ZINC000065397561 221210564 /nfs/dbraw/zinc/21/05/64/221210564.db2.gz CCQOIELDTZACLX-INIZCTEOSA-N 0 3 370.453 2.067 50 0 FEAAHN CNc1nc(NCCCOCC2CC2)nc(NCCCOCC2CC2)n1 ZINC000079099297 542499987 /nfs/dbraw/zinc/49/99/87/542499987.db2.gz ZALYIYSZYWUYSA-UHFFFAOYSA-N 0 3 364.494 2.371 50 0 FEAAHN COc1cccc(C(=O)N[C@H]2CN[C@H](C(=O)N[C@@H](C)C3CCCCC3)C2)c1 ZINC000067650616 221266367 /nfs/dbraw/zinc/26/63/67/221266367.db2.gz KTCJAZAPIQIGDB-YJLNNSPDSA-N 0 3 373.497 2.241 50 0 FEAAHN CN(C[C@@H]1CCCN1C)C(=O)c1cc(CN2CCc3ccccc3C2)on1 ZINC000067514144 221258477 /nfs/dbraw/zinc/25/84/77/221258477.db2.gz GVZQXTOMYBYTHR-SFHVURJKSA-N 0 3 368.481 2.399 50 0 FEAAHN c1nc(SCCNc2nc(-c3ccccc3)nc3c2CCNC3)n[nH]1 ZINC000067587434 221258691 /nfs/dbraw/zinc/25/86/91/221258691.db2.gz KRVOTMBXXFKACM-UHFFFAOYSA-N 0 3 353.455 2.112 50 0 FEAAHN CC(C)c1nccn1Cc1cc(C(=O)N2CC(N3CCCC[C@H]3C)C2)[nH]n1 ZINC000067725633 221277921 /nfs/dbraw/zinc/27/79/21/221277921.db2.gz RTRRHYGOPKTBLC-OAHLLOKOSA-N 0 3 370.501 2.477 50 0 FEAAHN Cc1ccc(F)c(C(=O)N[C@@H](C)c2nnc3n2CCNCC3)c1Cl ZINC000067850349 221295770 /nfs/dbraw/zinc/29/57/70/221295770.db2.gz ILEXARLGGPDSBD-JTQLQIEISA-N 0 3 351.813 2.016 50 0 FEAAHN Cc1c2cc(F)ccc2[nH]c1CN1CCC2(CC1)C(=O)NCCCN2C ZINC000067868504 221296688 /nfs/dbraw/zinc/29/66/88/221296688.db2.gz OSXDIUHKXXURGZ-UHFFFAOYSA-N 0 3 358.461 2.402 50 0 FEAAHN CC(C)c1nc(CNC(=O)c2ccc(NCCN3CCCC3)nc2)no1 ZINC000067974228 221310516 /nfs/dbraw/zinc/31/05/16/221310516.db2.gz XOLZAGCOJUNGGV-UHFFFAOYSA-N 0 3 358.446 2.026 50 0 FEAAHN COc1ccc([C@@H]2CN(C(=O)c3cc[nH]n3)[C@H]3[C@@H]2N2CCC3CC2)cc1 ZINC000071753007 221363165 /nfs/dbraw/zinc/36/31/65/221363165.db2.gz KKCHDVTZGWILPX-QXAKKESOSA-N 0 3 352.438 2.121 50 0 FEAAHN COc1ccc([C@@H]2CN(C(=O)c3ccn[nH]3)[C@H]3[C@@H]2N2CCC3CC2)cc1 ZINC000071753007 221363167 /nfs/dbraw/zinc/36/31/67/221363167.db2.gz KKCHDVTZGWILPX-QXAKKESOSA-N 0 3 352.438 2.121 50 0 FEAAHN CCN1CCCC[C@@H]1C(=O)NCc1cc2n(n1)CCCN(CC(C)C)C2 ZINC000082157670 542686036 /nfs/dbraw/zinc/68/60/36/542686036.db2.gz DXWFHIACRZVYHN-LJQANCHMSA-N 0 3 361.534 2.235 50 0 FEAAHN Cc1cc(C)nc(N2CCN(C)[C@@]3(C2)CCC(=O)N(CC2CC2)CC3)n1 ZINC000095361817 132207802 /nfs/dbraw/zinc/20/78/02/132207802.db2.gz OXZBUGGQNBBFDZ-FQEVSTJZSA-N 0 3 357.502 2.007 50 0 FEAAHN CCCc1nc(C)cc(N2CCC(N3CC[C@]4(CN(C)C(=O)O4)C3)CC2)n1 ZINC000095499222 132211991 /nfs/dbraw/zinc/21/19/91/132211991.db2.gz UBBIOSHWFVZQSB-FQEVSTJZSA-N 0 3 373.501 2.233 50 0 FEAAHN CCCc1cnc(C)nc1N1CCC(N2CCCN(C(C)=O)CC2)CC1 ZINC000095501238 132212319 /nfs/dbraw/zinc/21/23/19/132212319.db2.gz FNSCTYDCQPDLMY-UHFFFAOYSA-N 0 3 359.518 2.261 50 0 FEAAHN Cc1sc2ncnc(N3CCN(C)[C@]4(C3)CCC(=O)N(C)CC4)c2c1C ZINC000108016626 132242692 /nfs/dbraw/zinc/24/26/92/132242692.db2.gz CAMHIXBDZFHXHW-LJQANCHMSA-N 0 3 373.526 2.441 50 0 FEAAHN COCCN1CCC[C@@]2(CCN(Cc3snnc3C(C)C)C2)C1=O ZINC000091434020 542807241 /nfs/dbraw/zinc/80/72/41/542807241.db2.gz XMLOEXINMHZFMI-KRWDZBQOSA-N 0 3 352.504 2.122 50 0 FEAAHN Cc1cccc2nc(CN3CC[C@@](O)(C4CCOCC4)[C@H](C)C3)cc(=O)n12 ZINC000091707032 542821269 /nfs/dbraw/zinc/82/12/69/542821269.db2.gz PGXOXVPLSDZZMB-VFNWGFHPSA-N 0 3 371.481 2.002 50 0 FEAAHN COCCN1CCC(C(=O)N2CCCN(c3ccc(F)cc3)CC2)CC1 ZINC000091782503 542826224 /nfs/dbraw/zinc/82/62/24/542826224.db2.gz AFPCZZKXBVQRTN-UHFFFAOYSA-N 0 3 363.477 2.223 50 0 FEAAHN COCC1CCN(C(=O)[C@H]2CNC[C@@H](C(=O)Nc3ccc(C)cc3)C2)CC1 ZINC000091848314 542828212 /nfs/dbraw/zinc/82/82/12/542828212.db2.gz HXYIPBKOYWSFEZ-ZWKOTPCHSA-N 0 3 373.497 2.044 50 0 FEAAHN CC[C@]1(CO)CCCN(Cc2cccc(OCCN3CCOCC3)c2)C1 ZINC000091849259 542829191 /nfs/dbraw/zinc/82/91/91/542829191.db2.gz QTUYVFNULKFBKZ-NRFANRHFSA-N 0 3 362.514 2.382 50 0 FEAAHN CC[C@@H]1CN(C(=O)c2cnc(C34CC5CC(CC(C5)C3)C4)[n-]c2=O)CC[NH2+]1 ZINC000091892702 542830499 /nfs/dbraw/zinc/83/04/99/542830499.db2.gz ARFJXFNESYTAFB-HIHZZFLASA-N 0 3 370.497 2.062 50 0 FEAAHN Cc1ccc2nc(CN3CC[C@@]4(C3)CCCN(C(C)C)C4=O)cc(=O)n2c1 ZINC000092080363 542845030 /nfs/dbraw/zinc/84/50/30/542845030.db2.gz DWSKEOPUKHYSMW-OAQYLSRUSA-N 0 3 368.481 2.226 50 0 FEAAHN C[C@H]1Oc2ccccc2OC1C(=O)Nc1ccc(N2CCOCC2)cn1 ZINC000030976444 136117235 /nfs/dbraw/zinc/11/72/35/136117235.db2.gz DKHFBMRDUOHPSP-FZKQIMNGSA-N 0 3 355.394 2.085 50 0 FEAAHN COc1ccc([C@@H]2CN(c3ccnc(N)n3)[C@H]3[C@@H]2N2CCC3CC2)cc1 ZINC000095368070 542961480 /nfs/dbraw/zinc/96/14/80/542961480.db2.gz MAQQUSUKJFONPD-QXAKKESOSA-N 0 3 351.454 2.134 50 0 FEAAHN Cc1ccc([C@H](CNC(=O)[C@H]2CCCN(c3ncccn3)C2)N(C)C)cc1 ZINC000058193683 136130972 /nfs/dbraw/zinc/13/09/72/136130972.db2.gz FRJKXSKPWMLRDG-OALUTQOASA-N 0 3 367.497 2.421 50 0 FEAAHN COCc1cccc(C(=O)N2CCC[C@H](c3nccn3CCN(C)C)C2)n1 ZINC000095354940 542958107 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559737329 /nfs/dbraw/zinc/73/73/29/559737329.db2.gz SRNHSGMHOJJIEG-GOSISDBHSA-N 0 3 372.513 2.079 50 0 FEAAHN CCc1nn(C)c(Cl)c1CN1CC[C@]2(OC)CC[C@H](OCCO)C[C@H]12 ZINC000426690310 559740336 /nfs/dbraw/zinc/74/03/36/559740336.db2.gz OHPJHBQQCVXGLW-QANKJYHBSA-N 0 3 371.909 2.157 50 0 FEAAHN C[C@H](CNC(=O)N1CCCN(C2Cc3ccccc3C2)CC1)n1ccnc1 ZINC000534580426 562537217 /nfs/dbraw/zinc/53/72/17/562537217.db2.gz DGRJCEMCYMVZRO-QGZVFWFLSA-N 0 3 367.497 2.329 50 0 FEAAHN COCCN1CCC[C@@H](CN(C)C(=O)NCc2cccc(F)c2F)C1 ZINC000426474382 570606692 /nfs/dbraw/zinc/60/66/92/570606692.db2.gz PJJNHHAFTIUFAB-AWEZNQCLSA-N 0 3 355.429 2.465 50 0 FEAAHN CN(C)CCN(Cc1cccnc1)C(=O)Cc1ccc(-n2cccn2)cc1 ZINC000083851071 571053338 /nfs/dbraw/zinc/05/33/38/571053338.db2.gz AWBITJVKFVDJOM-UHFFFAOYSA-N 0 3 363.465 2.400 50 0 FEAAHN CN(C)Cc1ccc(CNC(=O)N2CCC[C@]3(CN(C)C(=O)O3)CC2)cc1 ZINC000426421352 571223200 /nfs/dbraw/zinc/22/32/00/571223200.db2.gz WSLXBXXOIGKUMP-HXUWFJFHSA-N 0 3 374.485 2.265 50 0 FEAAHN C[C@@H](NCc1cnccc1N(C)C)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000185142338 672520828 /nfs/dbraw/zinc/52/08/28/672520828.db2.gz TWHJXUOUYJSMHQ-CQSZACIVSA-N 0 3 362.499 2.249 50 0 FEAAHN COc1cc(CN2CCC3(CC[C@@H](CNC(C)=O)O3)CC2)ccc1F ZINC000299756709 673015183 /nfs/dbraw/zinc/01/51/83/673015183.db2.gz HWJNTEICAPRWOZ-INIZCTEOSA-N 0 3 350.434 2.484 50 0 FEAAHN CN(C)c1cccc(-c2cccc(C(=O)N3C[C@H](O)[C@@H](N(C)C)C3)c2)c1 ZINC000299756106 529786466 /nfs/dbraw/zinc/78/64/66/529786466.db2.gz BUDJWLKRYJEUAK-PMACEKPBSA-N 0 3 353.466 2.167 50 0 FEAAHN C[C@H]1CCC[C@H](C)N1CCNC(=O)CN1N=C(c2ccccc2)CCC1=O ZINC000004688098 539390215 /nfs/dbraw/zinc/39/02/15/539390215.db2.gz FWIXGEDYWTULDY-IRXDYDNUSA-N 0 3 370.497 2.392 50 0 FEAAHN CC(C)[C@H]1SC[C@H](C(=O)NCCN(C)C)N1C(=O)c1ccc(F)cc1 ZINC000006834608 539439079 /nfs/dbraw/zinc/43/90/79/539439079.db2.gz GVKOKOLFVPXKLE-CRAIPNDOSA-N 0 3 367.490 2.043 50 0 FEAAHN COc1cc(CNCCCN2CCOCC2)cc(Br)c1OC ZINC000008469810 539487019 /nfs/dbraw/zinc/48/70/19/539487019.db2.gz 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Cc1nnc(-c2ccc(C)c(NC(=O)NCCN3CCCC[C@@H]3CO)c2)o1 ZINC000299786839 223096381 /nfs/dbraw/zinc/09/63/81/223096381.db2.gz QZJWWNICQJVPMR-MRXNPFEDSA-N 0 3 373.457 2.322 50 0 FEAAHN C[C@H](NC(=O)CSCCN1CCCC1)c1nncn1C1CCCC1 ZINC000299802273 223106014 /nfs/dbraw/zinc/10/60/14/223106014.db2.gz YQGSCFSCEBCXON-AWEZNQCLSA-N 0 3 351.520 2.399 50 0 FEAAHN CN1CCC(CN(CCc2ccccc2)C(=O)CCN2CCCO2)CC1 ZINC000012471516 220000436 /nfs/dbraw/zinc/00/04/36/220000436.db2.gz IAPZLPXOGYCKPV-UHFFFAOYSA-N 0 3 359.514 2.427 50 0 FEAAHN CNC(=O)CCC(=O)N1CCCN(Cc2ccc(F)cc2)[C@@H](C(C)C)C1 ZINC000072144803 541788384 /nfs/dbraw/zinc/78/83/84/541788384.db2.gz LYDFSKVCZOCCMK-GOSISDBHSA-N 0 3 363.477 2.411 50 0 FEAAHN CCN1C(=O)NC(=O)C12CCN(Cc1ccc(-c3cc[nH]n3)s1)CC2 ZINC000072154141 541790370 /nfs/dbraw/zinc/79/03/70/541790370.db2.gz ZRHIJUYUHCJSBB-UHFFFAOYSA-N 0 3 359.455 2.045 50 0 FEAAHN Cc1[nH]c(=O)[n-]c(=O)c1C[N@@H+]1CCC[C@@H](CCc2ccc(F)cc2F)C1 ZINC000072164953 541794481 /nfs/dbraw/zinc/79/44/81/541794481.db2.gz 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O=C1CC[C@]2(CCCN(CCOc3ccc(Cl)cc3)C2)CN1CCO ZINC000077423873 542380994 /nfs/dbraw/zinc/38/09/94/542380994.db2.gz WIXVGKZSYTYINE-IBGZPJMESA-N 0 3 366.889 2.416 50 0 FEAAHN Cc1ncc(C(=O)N(C)CC2CC[NH+](Cc3ccccc3)CC2)c(=O)[n-]1 ZINC000077485760 542387276 /nfs/dbraw/zinc/38/72/76/542387276.db2.gz CYTFQAXKXBAVPM-UHFFFAOYSA-N 0 3 354.454 2.063 50 0 FEAAHN CC(C(=O)N[C@H](C)c1cccc(OCc2ccccn2)c1)S(C)(=O)=O ZINC000055647883 221072480 /nfs/dbraw/zinc/07/24/80/221072480.db2.gz AGJMYBFCTCMMBE-KGLIPLIRSA-N 0 3 362.451 2.271 50 0 FEAAHN Cc1cc(=O)c(C(=O)NC[C@@H]2CCCN(C(C)C)C2)nn1-c1ccccc1 ZINC000058203440 221106048 /nfs/dbraw/zinc/10/60/48/221106048.db2.gz IZOOCRSVNYRKSO-KRWDZBQOSA-N 0 3 368.481 2.391 50 0 FEAAHN CCOC(=O)c1ccc(NC(=O)NC[C@@H](C)N2CCN(CC)CC2)cc1 ZINC000057996653 221096634 /nfs/dbraw/zinc/09/66/34/221096634.db2.gz BVWCTVCHFHZOIA-OAHLLOKOSA-N 0 3 362.474 2.011 50 0 FEAAHN Cc1ccc(C(=O)NC[C@H](C)N2CCC(C)CC2)cc1NS(C)(=O)=O ZINC000058248999 221111523 /nfs/dbraw/zinc/11/15/23/221111523.db2.gz 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Cc1ccc(CN2CCC[C@@H](c3nnc(CN4CCOCC4)n3C)C2)cc1 ZINC000072420369 541809244 /nfs/dbraw/zinc/80/92/44/541809244.db2.gz IQFMWNYDOIHLBR-LJQANCHMSA-N 0 3 369.513 2.335 50 0 FEAAHN C[C@H](Cn1cncn1)N1CCC2(CN(CCc3ccccc3)C(=O)O2)CC1 ZINC000072425352 541810764 /nfs/dbraw/zinc/81/07/64/541810764.db2.gz MVGLNUVLMQTLEZ-QGZVFWFLSA-N 0 3 369.469 2.196 50 0 FEAAHN CNC(=O)c1cc(Cl)ccc1-n1ccnc1-c1cc2n(n1)CCCNC2 ZINC000072429039 541811562 /nfs/dbraw/zinc/81/15/62/541811562.db2.gz UKPVIHHRLUBUEI-UHFFFAOYSA-N 0 3 370.844 2.242 50 0 FEAAHN COCCCN1C(=O)CC[C@H]2CN(Cc3c(C)nc4ccccn43)CC[C@H]21 ZINC000072480270 541821165 /nfs/dbraw/zinc/82/11/65/541821165.db2.gz MEPJUNGWTFVDND-ZWKOTPCHSA-N 0 3 370.497 2.492 50 0 FEAAHN COc1ccc(CCN2CCC[C@@H](CN(C)C(=O)c3nonc3C)C2)cc1 ZINC000012718859 220021157 /nfs/dbraw/zinc/02/11/57/220021157.db2.gz BWFFWCZVPPIVQV-KRWDZBQOSA-N 0 3 372.469 2.413 50 0 FEAAHN CCOC(=O)N1CCC(N2CCC(CCOC)(C(=O)OCC)CC2)CC1 ZINC000014960273 220136908 /nfs/dbraw/zinc/13/69/08/220136908.db2.gz 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542384539 /nfs/dbraw/zinc/38/45/39/542384539.db2.gz LHAWBAGMYJNLED-UHFFFAOYSA-N 0 3 371.533 2.223 50 0 FEAAHN Cn1ccc(C(=O)N2CCCN(CCCc3ccccc3)CC2)cc1=O ZINC000077471550 542385932 /nfs/dbraw/zinc/38/59/32/542385932.db2.gz VHSXQHXFMYGEEL-UHFFFAOYSA-N 0 3 353.466 2.166 50 0 FEAAHN Cc1cc2cc(C(=O)N3CCC[C@H](Cn4cc(CN)nn4)C3)ccc2o1 ZINC000023542429 220429381 /nfs/dbraw/zinc/42/93/81/220429381.db2.gz NMQOAWQQNLQTEA-AWEZNQCLSA-N 0 3 353.426 2.344 50 0 FEAAHN O=C1C[C@H](c2ccccc2)N(C[C@H](O)COc2ccc(F)cc2)CCN1 ZINC000052835130 221040773 /nfs/dbraw/zinc/04/07/73/221040773.db2.gz BCSPZAAVPTZKOL-PKOBYXMFSA-N 0 3 358.413 2.129 50 0 FEAAHN CC(=O)N1CCC[C@@H](C(=O)NC[C@@H]2CCCCN2Cc2ccccc2)C1 ZINC000058215647 221108669 /nfs/dbraw/zinc/10/86/69/221108669.db2.gz ZBGNKOXZDBBAHZ-UXHICEINSA-N 0 3 357.498 2.416 50 0 FEAAHN Cc1cc(C)n(CC[C@@H]2CC(=O)Nc3c2cnn3C2CCN(C)CC2)n1 ZINC000065507350 221228905 /nfs/dbraw/zinc/22/89/05/221228905.db2.gz LWGOIDWMFNXOLE-OAHLLOKOSA-N 0 3 356.474 2.479 50 0 FEAAHN 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Cc1cc(C)n2ncc(C(=O)NC[C@H](Cc3ccccc3)N(C)C)c2n1 ZINC000045124130 208328088 /nfs/dbraw/zinc/32/80/88/208328088.db2.gz VGAGXAANKRFWGE-KRWDZBQOSA-N 0 3 351.454 2.249 50 0 FEAAHN Cn1c(CN2CCOCC2)nnc1C1CCN(Cc2ccccc2)CC1 ZINC000077436814 542381523 /nfs/dbraw/zinc/38/15/23/542381523.db2.gz LIEGECLDACHWIG-UHFFFAOYSA-N 0 3 355.486 2.027 50 0 FEAAHN CCCCN1CCc2nc[nH]c2C12CCN(C(=O)[C@@H](C)n1cccn1)CC2 ZINC000091876899 209002221 /nfs/dbraw/zinc/00/22/21/209002221.db2.gz WEKSFTUHHXVSJV-MRXNPFEDSA-N 0 3 370.501 2.343 50 0 FEAAHN Cc1cc(C(=O)N2CCC3(CC2)c2[nH]cnc2CCN3CC(C)C)n[nH]1 ZINC000091914897 209003606 /nfs/dbraw/zinc/00/36/06/209003606.db2.gz DEVMWELGSARBMG-UHFFFAOYSA-N 0 3 356.474 2.087 50 0 FEAAHN Cc1cc(C(=O)N2CCC3(CC2)c2[nH]cnc2CCN3CC(C)C)[nH]n1 ZINC000091914897 209003608 /nfs/dbraw/zinc/00/36/08/209003608.db2.gz DEVMWELGSARBMG-UHFFFAOYSA-N 0 3 356.474 2.087 50 0 FEAAHN Cc1cc(N2C[C@H]3CC[C@@H](C2)C(=O)N3CC(=O)N(C)C)c2ccccc2n1 ZINC000091914910 209003835 /nfs/dbraw/zinc/00/38/35/209003835.db2.gz 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209043018 /nfs/dbraw/zinc/04/30/18/209043018.db2.gz VIQBPYTXTDQCBR-HNNXBMFYSA-N 0 3 370.501 2.066 50 0 FEAAHN Cc1cccc([C@H](C(=O)NCCc2nnc(-c3cccnc3)[n-]2)[NH+](C)C)c1 ZINC000095385910 209043610 /nfs/dbraw/zinc/04/36/10/209043610.db2.gz FQBAPWZUOHHVOT-GOSISDBHSA-N 0 3 364.453 2.137 50 0 FEAAHN Cc1cccc([C@H](C(=O)NCCc2nnc(-c3cccnc3)[nH]2)N(C)C)c1 ZINC000095385910 209043611 /nfs/dbraw/zinc/04/36/11/209043611.db2.gz FQBAPWZUOHHVOT-GOSISDBHSA-N 0 3 364.453 2.137 50 0 FEAAHN c1cn(-c2ccccc2)nc1CNC[C@@]1(N2CCOCC2)CCSC1 ZINC000095452910 209051859 /nfs/dbraw/zinc/05/18/59/209051859.db2.gz VGWUWTYAXMLXEJ-IBGZPJMESA-N 0 3 358.511 2.170 50 0 FEAAHN Cc1ccc(F)c(NC(=O)C(=O)Nc2cnn(CCN3CCCCC3)c2)c1 ZINC000095461257 209053742 /nfs/dbraw/zinc/05/37/42/209053742.db2.gz GUQSUVMJZNDFLN-UHFFFAOYSA-N 0 3 373.432 2.394 50 0 FEAAHN O[C@H](COc1cccc(CN2CCCCC23CC3)c1)CN1CCOCC1 ZINC000095509282 209067306 /nfs/dbraw/zinc/06/73/06/209067306.db2.gz LVCNNKKOBMDEQT-IBGZPJMESA-N 0 3 360.498 2.277 50 0 FEAAHN CCc1cc(N2CCN(C[C@@H]3CC(=O)N(c4ccccc4)C3)CC2)ncn1 ZINC000299791149 132300364 /nfs/dbraw/zinc/30/03/64/132300364.db2.gz DTMPYWPYOHMEFA-KRWDZBQOSA-N 0 3 365.481 2.214 50 0 FEAAHN C[N@@H+]1CCCN(C(=O)c2cnc(C34CC5CC(CC(C5)C3)C4)[n-]c2=O)CC1 ZINC000091365215 542805566 /nfs/dbraw/zinc/80/55/66/542805566.db2.gz KFRWJPQSVCOAOV-UHFFFAOYSA-N 0 3 370.497 2.015 50 0 FEAAHN C[N@H+]1CCCN(C(=O)c2cnc(C34CC5CC(CC(C5)C3)C4)[n-]c2=O)CC1 ZINC000091365215 542805568 /nfs/dbraw/zinc/80/55/68/542805568.db2.gz KFRWJPQSVCOAOV-UHFFFAOYSA-N 0 3 370.497 2.015 50 0 FEAAHN COc1ccc(-c2ccc(C(=O)N3C[C@@H]4CC[C@H](C3)N(C)C4)c(=O)[nH]2)cc1 ZINC000091417038 542806416 /nfs/dbraw/zinc/80/64/16/542806416.db2.gz VTXLRBBCWDWABE-GDBMZVCRSA-N 0 3 367.449 2.217 50 0 FEAAHN COc1c(F)cc(CN2CCN(C)[C@]3(C2)CCNC(=O)CC3)cc1Cl ZINC000091526117 542811498 /nfs/dbraw/zinc/81/14/98/542811498.db2.gz QATLFXUHVRDHIY-SFHVURJKSA-N 0 3 369.868 2.274 50 0 FEAAHN NC(=O)CC[C@@H]1CCCN(Cc2c[nH]nc2-c2ccc3c(c2)OCCO3)C1 ZINC000092660702 542879448 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Cc1cc(N2CCN(C(=O)C[C@@H]3CCc4ccccc43)CC2)nc(N)n1 ZINC000091504950 525076444 /nfs/dbraw/zinc/07/64/44/525076444.db2.gz NSVPBAZQKJCREO-INIZCTEOSA-N 0 3 351.454 2.136 50 0 FEAAHN Cc1ccccc1CN1CCc2nnc(CCNC(=O)C3CCC3)n2CC1 ZINC000020916688 525146257 /nfs/dbraw/zinc/14/62/57/525146257.db2.gz ZNVFBYACGATEJU-UHFFFAOYSA-N 0 3 367.497 2.104 50 0 FEAAHN COc1cccc(CN2CCC(c3nnc(Cn4ccnc4)n3C)CC2)c1 ZINC000091643494 525935479 /nfs/dbraw/zinc/93/54/79/525935479.db2.gz OSHCAURTTCOKAE-UHFFFAOYSA-N 0 3 366.469 2.448 50 0 FEAAHN O=C(c1cccc(Cn2cccn2)c1)N1CCCO[C@@H](CN2CCCC2)C1 ZINC000091468493 526763235 /nfs/dbraw/zinc/76/32/35/526763235.db2.gz UXBSGSGUSPIFLX-FQEVSTJZSA-N 0 3 368.481 2.258 50 0 FEAAHN O=C(N[C@@H]1CC(=O)N(c2ccccc2)C1)C1CCN(Cc2ccco2)CC1 ZINC000082115998 526878420 /nfs/dbraw/zinc/87/84/20/526878420.db2.gz ILWRWKKKHWRWPD-QGZVFWFLSA-N 0 3 367.449 2.413 50 0 FEAAHN COc1ccc(NC(=O)C(=O)NCC2CCN(c3ccncc3)CC2)cc1 ZINC000070895849 536734863 /nfs/dbraw/zinc/73/48/63/536734863.db2.gz 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/nfs/dbraw/zinc/70/49/49/548704949.db2.gz ZXNUZNPWVYFHMW-KRWDZBQOSA-N 0 3 352.482 2.334 50 0 FEAAHN CC(=O)c1ccc(OCC(=O)NC2CCN(C[C@@H]3CCCO3)CC2)cc1 ZINC000223506640 548720994 /nfs/dbraw/zinc/72/09/94/548720994.db2.gz FQYITJKXUFMAQS-IBGZPJMESA-N 0 3 360.454 2.028 50 0 FEAAHN CN(C)c1ccc(CCC(=O)N[C@H]2[C@H]3CCO[C@H]3[C@@H]2N2CCCC2)cc1 ZINC000223903500 548725657 /nfs/dbraw/zinc/72/56/57/548725657.db2.gz UXCZFCDCWGOUSZ-GFOJFJKKSA-N 0 3 357.498 2.053 50 0 FEAAHN CN(C)CCOC1CCN(C(=O)Cc2ccc([Si](C)(C)C)cc2)CC1 ZINC000225505372 548736977 /nfs/dbraw/zinc/73/69/77/548736977.db2.gz MACKMUBQTVVGCE-UHFFFAOYSA-N 0 3 362.590 2.344 50 0 FEAAHN COc1ccc([C@H](CNC(=O)[C@@H]2CCCC23OCCO3)N2CCCC2)cc1 ZINC000225807426 548744091 /nfs/dbraw/zinc/74/40/91/548744091.db2.gz YIASKCPTYUXNIF-OALUTQOASA-N 0 3 374.481 2.492 50 0 FEAAHN C[C@H](C(=O)N1CCN(Cc2ccccc2CO)CC1)N1CCCCCC1 ZINC000244633492 548891936 /nfs/dbraw/zinc/89/19/36/548891936.db2.gz GDZDCWVTILBIMP-GOSISDBHSA-N 0 3 359.514 2.088 50 0 FEAAHN Cc1cc([C@@H]2CCCN2CCC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)on1 ZINC000244678950 548892300 /nfs/dbraw/zinc/89/23/00/548892300.db2.gz IMXBKCQPTGJBTA-HNNXBMFYSA-N 0 3 355.398 2.318 50 0 FEAAHN O=C(CC1CC[NH+](Cc2ccccc2)CC1)N[C@H]1COC[C@@H]1N1CCCC1 ZINC000244707921 548893015 /nfs/dbraw/zinc/89/30/15/548893015.db2.gz KKAWOLQPCFUFRT-SFTDATJTSA-N 0 3 371.525 2.268 50 0 FEAAHN O=C(CC1CCN(Cc2ccccc2)CC1)N[C@H]1COC[C@@H]1N1CCCC1 ZINC000244707921 548893019 /nfs/dbraw/zinc/89/30/19/548893019.db2.gz KKAWOLQPCFUFRT-SFTDATJTSA-N 0 3 371.525 2.268 50 0 FEAAHN COc1cncc([C@H](NC(=O)C2(N3CCCC3)CCCC2)[C@H]2C[C@H](O)C2)c1 ZINC000244866570 548897455 /nfs/dbraw/zinc/89/74/55/548897455.db2.gz VYLXXFWNWCONEE-SZVBFZGTSA-N 0 3 373.497 2.427 50 0 FEAAHN CC(C)CN1CCN(CC(=O)Nc2ccc(Cl)cc2F)C[C@H]1CCO ZINC000252489416 549669023 /nfs/dbraw/zinc/66/90/23/549669023.db2.gz JQOVUGBLTAYBHT-OAHLLOKOSA-N 0 3 371.884 2.442 50 0 FEAAHN COc1ccc(C(=O)NC[C@@H](O)CN2CCCCC2)c(OCC2CC2)c1 ZINC000252506662 549671188 /nfs/dbraw/zinc/67/11/88/549671188.db2.gz WCDWKYWHGNVDBM-MRXNPFEDSA-N 0 3 362.470 2.061 50 0 FEAAHN O=C(NC[C@H]1CN(Cc2cccnc2)CC12CCOCC2)N1CCCC1 ZINC000257177577 549711474 /nfs/dbraw/zinc/71/14/74/549711474.db2.gz XEZKLUFWNXDFKZ-SFHVURJKSA-N 0 3 358.486 2.116 50 0 FEAAHN CCN1CCC2(CC1)CN(C(=O)Cn1ccnc1C)Cc1ccccc1O2 ZINC000257181437 549712760 /nfs/dbraw/zinc/71/27/60/549712760.db2.gz FOEHZEQNSLNKKL-UHFFFAOYSA-N 0 3 368.481 2.467 50 0 FEAAHN Cc1nc(SCC(=O)NCCN2CC[C@H](c3ccccc3C)C2)n[nH]1 ZINC000299757702 553610795 /nfs/dbraw/zinc/61/07/95/553610795.db2.gz ALUZCTTYBYOFTA-HNNXBMFYSA-N 0 3 359.499 2.119 50 0 FEAAHN CN(C)CCN(C[C@H]1CCCO1)C(=O)c1cccc(-c2cncnc2)c1 ZINC000299779763 553613736 /nfs/dbraw/zinc/61/37/36/553613736.db2.gz QIZJMKZHLFDPNM-LJQANCHMSA-N 0 3 354.454 2.326 50 0 FEAAHN O=C(Cc1cnc[n-]c1=O)NC[C@@H](c1ccccc1)[NH+]1CCCCCC1 ZINC000299786897 553614585 /nfs/dbraw/zinc/61/45/85/553614585.db2.gz UNZBTXGYKRSBNI-SFHVURJKSA-N 0 3 354.454 2.458 50 0 FEAAHN CN(Cc1cccc2cnccc21)C(=O)NCCN1CCCC[C@@H]1CO ZINC000426484942 559735536 /nfs/dbraw/zinc/73/55/36/559735536.db2.gz YFOUQXBDOUZWPX-GOSISDBHSA-N 0 3 356.470 2.223 50 0 FEAAHN CN(CCNc1cc([C@@H]2CCOC2)ncn1)Cc1ccc2ccccc2n1 ZINC000426489821 559735749 /nfs/dbraw/zinc/73/57/49/559735749.db2.gz XIXNBQSHPGSCAE-QGZVFWFLSA-N 0 3 363.465 3.073 50 0 FEAAHN CCn1cc(-c2ccc(C(=O)NC[C@H]3CCN(CCOC)C3)cc2)cn1 ZINC000534660378 562539651 /nfs/dbraw/zinc/53/96/51/562539651.db2.gz YAEKSYJTDHCCAC-MRXNPFEDSA-N 0 3 356.470 2.268 50 0 FEAAHN CN(C)C[C@@H](CNC(=O)Nc1ccc(N(C)C)nc1)[C@H](O)c1ccccc1 ZINC000048091789 570934155 /nfs/dbraw/zinc/93/41/55/570934155.db2.gz CMMLMPAXAPOANN-VQIMIIECSA-N 0 3 371.485 2.181 50 0 FEAAHN CC1(C)C(c2cc(NC(=O)[C@]3(N)[C@@H]4CCCO[C@H]4C3(C)C)n[nH]2)C1(C)C ZINC000646533592 571106229 /nfs/dbraw/zinc/10/62/29/571106229.db2.gz UFPRVZULCQWLTM-CVWILIBFSA-N 0 3 360.502 3.030 50 0 FEAAHN COc1c[nH]c(CN2CC[C@]3(OC)CC[C@H](OCC4CC4)C[C@H]23)cc1=O ZINC000426380175 571217125 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CS(=O)(=O)N1CCC([C@@H]2CCN(Cc3ccc(F)cc3F)C2)CC1 ZINC000169782001 672322126 /nfs/dbraw/zinc/32/21/26/672322126.db2.gz CBNFEVANSLDJTR-CQSZACIVSA-N 0 3 358.454 2.458 50 0 FEAAHN COCCCN1CCC(NC(=O)c2cc(Cl)c(N)c3c2OCC3)CC1 ZINC000001891034 539343730 /nfs/dbraw/zinc/34/37/30/539343730.db2.gz ZPMNHBXQOOVQJL-UHFFFAOYSA-N 0 3 367.877 2.088 50 0 biogenic,world FEAAHN O=C(Nc1ccc2c(c1)CCC2)[C@H]1CNC[C@@H](C(=O)N2CCCCC2)C1 ZINC000014749184 539605081 /nfs/dbraw/zinc/60/50/81/539605081.db2.gz WFUZICCEFPSEMJ-MSOLQXFVSA-N 0 3 355.482 2.352 50 0 FEAAHN COc1ccc(-c2noc(CN3CCC(CN4CCOCC4)CC3)n2)cc1 ZINC000014963173 539607793 /nfs/dbraw/zinc/60/77/93/539607793.db2.gz KQMIRRGMGNFAIQ-UHFFFAOYSA-N 0 3 372.469 2.289 50 0 FEAAHN COc1ccc(S(=O)(=O)NC[C@@H]2CCCN(CCCSC)C2)cc1 ZINC000015063824 539610133 /nfs/dbraw/zinc/61/01/33/539610133.db2.gz NWXGAMRXBMENCM-HNNXBMFYSA-N 0 3 372.556 2.439 50 0 FEAAHN Cc1nc(N2CCCCC2)cc(N2CCN(C(=O)c3ccco3)CC2)n1 ZINC000021793754 539687057 /nfs/dbraw/zinc/68/70/57/539687057.db2.gz 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ZINC000051449900 540434630 /nfs/dbraw/zinc/43/46/30/540434630.db2.gz PUHPRFLWXXIJGR-KRWDZBQOSA-N 0 3 361.486 2.039 50 0 FEAAHN CCCN1CCC(N(C)S(=O)(=O)c2ccc3c(c2)CCC(=O)N3)CC1 ZINC000055298100 540645261 /nfs/dbraw/zinc/64/52/61/540645261.db2.gz WPXIJGQVYPBHML-UHFFFAOYSA-N 0 3 365.499 2.066 50 0 FEAAHN O=C(NCCCCN1CCN(Cc2ccccc2)CC1)c1ccncc1 ZINC000056994220 540760431 /nfs/dbraw/zinc/76/04/31/540760431.db2.gz PHOAWMPCFDMMQK-UHFFFAOYSA-N 0 3 352.482 2.409 50 0 FEAAHN OC1(CNCC2=Cc3cc(Br)ccc3OC2)CCOCC1 ZINC000238139093 209360516 /nfs/dbraw/zinc/36/05/16/209360516.db2.gz GPHOUPWURGKXLX-UHFFFAOYSA-N 0 3 354.244 2.356 50 0 FEAAHN Cc1oc2nc[nH]c(=O)c2c1C(=O)NC[C@H](c1ccc(C)cc1)N(C)C ZINC000058209587 540833666 /nfs/dbraw/zinc/83/36/66/540833666.db2.gz DCQDKKOGUHMWSG-CQSZACIVSA-N 0 3 354.410 2.166 50 0 FEAAHN C[C@@H]1CO[C@H](c2ccccc2Cl)CN1C(=O)CNC[C@@H]1CCCO1 ZINC000237537856 209350293 /nfs/dbraw/zinc/35/02/93/209350293.db2.gz MWAVDKPOSHMWLC-KEYYUXOJSA-N 0 3 352.862 2.397 50 0 FEAAHN Cc1nn(C)c(C)c1S(=O)(=O)N1CCCN(CC2CC2)[C@@H](C(C)C)C1 ZINC000106961967 209273712 /nfs/dbraw/zinc/27/37/12/209273712.db2.gz GIJYYKSHSRIBRN-QGZVFWFLSA-N 0 3 368.547 2.168 50 0 FEAAHN O=C(c1ccc(N2CCN[C@H](c3ccccc3)C2)nc1)N1CCSCC1 ZINC000065256128 541230510 /nfs/dbraw/zinc/23/05/10/541230510.db2.gz YGYXTCMESCHVDK-SFHVURJKSA-N 0 3 368.506 2.422 50 0 FEAAHN Cc1cc(C)c([C@H]2CC(=O)Nc3n[nH]cc32)cc1CN1CCN(C)CC1 ZINC000065506578 541241334 /nfs/dbraw/zinc/24/13/34/541241334.db2.gz QZPVGESJWPCODW-QGZVFWFLSA-N 0 3 353.470 2.248 50 0 FEAAHN CCOC(=O)N1CCC(N[C@@H]2CC(=O)N(c3cccc(OC)c3)C2)CC1 ZINC000065536566 541244085 /nfs/dbraw/zinc/24/40/85/541244085.db2.gz VYTVBCYEGOINDF-OAHLLOKOSA-N 0 3 361.442 2.011 50 0 FEAAHN O=C(N1C[C@@H]2[C@@H](CN(Cc3ccsc3)C3CC3)[C@@H]2C1)N1CCOCC1 ZINC000102870115 209244520 /nfs/dbraw/zinc/24/45/20/209244520.db2.gz JCXOKUZFCRACSY-NNZMDNLPSA-N 0 3 361.511 2.343 50 0 FEAAHN O=c1[nH]c2cc3c(cc2cc1CN1CC[C@@]2(O)CCCC[C@H]2C1)OCO3 ZINC000067541965 541478214 /nfs/dbraw/zinc/47/82/14/541478214.db2.gz JVLJYDREPAVCGX-YWZLYKJASA-N 0 3 356.422 2.384 50 0 FEAAHN Cc1ccc(C(=O)N[C@H](CC(C)C)c2nnc3n2CCNCC3)c(F)c1 ZINC000067696571 541500481 /nfs/dbraw/zinc/50/04/81/541500481.db2.gz LVSDHTNSSKKMPV-MRXNPFEDSA-N 0 3 359.449 2.389 50 0 FEAAHN COc1ccccc1OCc1cc(C(=O)NC[C@@]2(C)CCN(C)C2)[nH]n1 ZINC000067773820 541512220 /nfs/dbraw/zinc/51/22/20/541512220.db2.gz HZNGVPJLKDBUBH-LJQANCHMSA-N 0 3 358.442 2.069 50 0 FEAAHN Cc1cc2nc(CNC3CCN(C(=O)[C@@H]4CCCO4)CC3)[nH]c2cc1C ZINC000067973992 541534332 /nfs/dbraw/zinc/53/43/32/541534332.db2.gz YLVYVZHSZBBNQV-SFHVURJKSA-N 0 3 356.470 2.439 50 0 FEAAHN CN1CCN(C)[C@H](CC(=O)N(Cc2ccc(F)cc2)Cc2ccccn2)C1 ZINC000097602396 209189089 /nfs/dbraw/zinc/18/90/89/209189089.db2.gz RFYOCGSBDKRRAN-HXUWFJFHSA-N 0 3 370.472 2.385 50 0 FEAAHN CCCc1cc(CN(C)c2nc(-c3ccncc3)nc3c2CCNC3)[nH]n1 ZINC000071753247 541770519 /nfs/dbraw/zinc/77/05/19/541770519.db2.gz ZAQGHPBHJISVTJ-UHFFFAOYSA-N 0 3 363.469 2.496 50 0 FEAAHN CCCc1cc(CN(C)c2nc(-c3ccncc3)nc3c2CCNC3)n[nH]1 ZINC000071753247 541770522 /nfs/dbraw/zinc/77/05/22/541770522.db2.gz ZAQGHPBHJISVTJ-UHFFFAOYSA-N 0 3 363.469 2.496 50 0 FEAAHN COc1ccc([C@@H]2CN(c3cc(C)nc(N)n3)[C@H]3[C@@H]2N2CCC3CC2)cc1 ZINC000072143066 541787067 /nfs/dbraw/zinc/78/70/67/541787067.db2.gz HGELLRQYKAUOGK-DFQSSKMNSA-N 0 3 365.481 2.442 50 0 FEAAHN COc1ccccc1[C@H]1CN(Cc2cnn(C)c2)[C@H]2[C@@H]1N1CCC2CC1 ZINC000072154650 541790963 /nfs/dbraw/zinc/79/09/63/541790963.db2.gz QOKBIFJXQZPTSX-HMXCVIKNSA-N 0 3 352.482 2.491 50 0 FEAAHN CN(C)Cc1ccc([C@H]2CCCCN2S(=O)(=O)c2cnn(C)c2)cc1 ZINC000072164364 541793284 /nfs/dbraw/zinc/79/32/84/541793284.db2.gz SCMRTUQPZXOVSW-GOSISDBHSA-N 0 3 362.499 2.398 50 0 FEAAHN CCCc1nc2c(cnn2C)c(N2CCCO[C@@H](CN3CCCC3)C2)n1 ZINC000072169934 541795330 /nfs/dbraw/zinc/79/53/30/541795330.db2.gz GASGDEAAPFKJAF-HNNXBMFYSA-N 0 3 358.490 2.007 50 0 FEAAHN O=C(Nc1cccc(-c2nccs2)c1)N1C[C@@H](N2CCCC2)[C@@H](O)C1 ZINC000072313615 541798930 /nfs/dbraw/zinc/79/89/30/541798930.db2.gz CXYRAJXLGGKQHW-CVEARBPZSA-N 0 3 358.467 2.483 50 0 FEAAHN Cc1nc2c(s1)CCC[C@H]2NC(=O)CCc1cc2n(n1)CCCNC2 ZINC000072417875 541807855 /nfs/dbraw/zinc/80/78/55/541807855.db2.gz JDDLNNMTZVPTAC-OAHLLOKOSA-N 0 3 359.499 2.268 50 0 FEAAHN O=C(CCc1cc2n(n1)CCCNC2)NCc1coc(-c2ccccc2)n1 ZINC000072412503 541807895 /nfs/dbraw/zinc/80/78/95/541807895.db2.gz AWYJNSFJZSMDKL-UHFFFAOYSA-N 0 3 365.437 2.280 50 0 FEAAHN Cc1cc(C(=O)N(C)Cc2ccc(-n3cccn3)cc2)n(CCN(C)C)n1 ZINC000072420410 541809092 /nfs/dbraw/zinc/80/90/92/541809092.db2.gz OYVPQKPSXSGBMN-UHFFFAOYSA-N 0 3 366.469 2.211 50 0 FEAAHN Cc1nc2c(c(N3CCCOCC3)n1)CCN(Cc1cccnc1)CC2 ZINC000072422751 541809412 /nfs/dbraw/zinc/80/94/12/541809412.db2.gz WIAGCNVEKDOGPD-UHFFFAOYSA-N 0 3 353.470 2.008 50 0 FEAAHN O[C@H]1CN(Cc2cnc(-c3cccs3)nc2)C[C@@H]1N1CCC(F)CC1 ZINC000072428892 541812135 /nfs/dbraw/zinc/81/21/35/541812135.db2.gz FCMKNIFEJGVFNE-HOTGVXAUSA-N 0 3 362.474 2.184 50 0 FEAAHN COc1cccc(CCn2ccnc2-c2cc3n(n2)CCCNC3)c1OC ZINC000072447580 541815819 /nfs/dbraw/zinc/81/58/19/541815819.db2.gz ZJPJRFFHFJLVSA-UHFFFAOYSA-N 0 3 367.453 2.500 50 0 FEAAHN O=C(c1cc(C2CC2)[nH]n1)N1CCN(CCc2ccccc2)[C@@H](CCO)C1 ZINC000072476472 541819578 /nfs/dbraw/zinc/81/95/78/541819578.db2.gz FETMAFCQNIWYLH-SFHVURJKSA-N 0 3 368.481 2.039 50 0 FEAAHN CN1CCC(C(=O)N2CCN(CCCOc3ccc(F)cc3)CC2)CC1 ZINC000097099553 209169786 /nfs/dbraw/zinc/16/97/86/209169786.db2.gz OCJZSCOGEPVCAU-UHFFFAOYSA-N 0 3 363.477 2.081 50 0 FEAAHN CN(C)C[C@H](NC(=O)CCn1c2ccccc2oc1=O)c1ccccc1 ZINC000007818230 207208488 /nfs/dbraw/zinc/20/84/88/207208488.db2.gz OHXPQTJKTHBCQQ-INIZCTEOSA-N 0 3 353.422 2.404 50 0 FEAAHN CCN1CCC[C@@H]1CNC(=O)COc1ccc2c3c(c(=O)oc2c1)CCC3 ZINC000009314725 207266220 /nfs/dbraw/zinc/26/62/20/207266220.db2.gz INWAEGGDSCZBTM-CQSZACIVSA-N 0 3 370.449 2.261 50 0 FEAAHN CN(C)CCn1c(=O)c(CN(C)CCn2cccn2)cc2ccc(F)cc21 ZINC000011782579 207322448 /nfs/dbraw/zinc/32/24/48/207322448.db2.gz 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CCCN1CCCn2nc(CNC(=O)c3cnc(C4CC4)nc3C)cc2C1 ZINC000082098804 519855436 /nfs/dbraw/zinc/85/54/36/519855436.db2.gz MBEOADXCOCKQGP-UHFFFAOYSA-N 0 3 368.485 2.405 50 0 FEAAHN CCOC(=O)N1CCN([C@@H]2CCCN(Cc3ccc4c(c3)CCO4)C2)CC1 ZINC000020271885 520959439 /nfs/dbraw/zinc/95/94/39/520959439.db2.gz PMULQBQQKUIPGX-LJQANCHMSA-N 0 3 373.497 2.360 50 0 FEAAHN CCN(CCN1CCCC1)Cc1nc(-c2ccc(C(=O)OC)cc2)no1 ZINC000020455017 521045675 /nfs/dbraw/zinc/04/56/75/521045675.db2.gz TVEUIHOXOQSQAU-UHFFFAOYSA-N 0 3 358.442 2.441 50 0 FEAAHN CCN1C[C@]2(CCCN(C(=O)CSCCN3CCCC3)C2)CCC1=O ZINC000082116059 521730134 /nfs/dbraw/zinc/73/01/34/521730134.db2.gz ANSRDVIIINIGEQ-IBGZPJMESA-N 0 3 367.559 2.067 50 0 FEAAHN CCc1ccc(CN2CCC(c3nnc(Cn4cncn4)n3C)CC2)cc1 ZINC000091391491 523923997 /nfs/dbraw/zinc/92/39/97/523923997.db2.gz JOOVDLBCMNCENK-UHFFFAOYSA-N 0 3 365.485 2.397 50 0 FEAAHN CN1C[C@H]2CC[C@@H]1CN(C(=O)CNC(=O)c1cc(Cl)ccc1Cl)C2 ZINC000091635787 524026736 /nfs/dbraw/zinc/02/67/36/524026736.db2.gz 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546282248 /nfs/dbraw/zinc/28/22/48/546282248.db2.gz VEEVZFTYWUYRSC-GFCCVEGCSA-N 0 3 357.410 2.325 50 0 FEAAHN CN(C(=O)CCc1ccn(C)n1)c1ccc(OCCN2CCCC2)cc1 ZINC000483351491 561274758 /nfs/dbraw/zinc/27/47/58/561274758.db2.gz OVBLGSOUFAOBNI-UHFFFAOYSA-N 0 3 356.470 2.490 50 0 FEAAHN CCn1ccc(C(=O)NCCN2CCC[C@@H](c3ccccc3)C2)cc1=O ZINC000215592020 548673471 /nfs/dbraw/zinc/67/34/71/548673471.db2.gz IWOIYVOMSWTOOD-LJQANCHMSA-N 0 3 353.466 2.478 50 0 FEAAHN CCN1CCN(CCOc2ccc(CN3CCC(OC)CC3)cc2)CC1 ZINC000216228241 548675916 /nfs/dbraw/zinc/67/59/16/548675916.db2.gz LGKMJKXTLOKMNA-UHFFFAOYSA-N 0 3 361.530 2.314 50 0 FEAAHN O=S(=O)(c1c[nH]c(C(F)(F)F)c1)N1CCC[C@H]1CN1CCCC1 ZINC000225393029 548733145 /nfs/dbraw/zinc/73/31/45/548733145.db2.gz GOXAXLGKKNYAFT-NSHDSACASA-N 0 3 351.394 2.282 50 0 FEAAHN Cc1cc(=O)c(C(=O)NC[C@H](C)N2CCC[C@@H](C)C2)nn1-c1ccccc1 ZINC000229712534 548756523 /nfs/dbraw/zinc/75/65/23/548756523.db2.gz YASCAWYKOWWRIG-WBVHZDCISA-N 0 3 368.481 2.391 50 0 FEAAHN CCn1c2ccccc2nc1[C@H]1CCCN1C(=O)CNC[C@H]1CCCO1 ZINC000237001898 548793882 /nfs/dbraw/zinc/79/38/82/548793882.db2.gz VAJDQRCSUKZWNR-CRAIPNDOSA-N 0 3 356.470 2.488 50 0 FEAAHN Cc1nnc([C@@H]2CCCN2CCN2CCN(Cc3ccccc3)CC2)[nH]1 ZINC000241081933 548884730 /nfs/dbraw/zinc/88/47/30/548884730.db2.gz YSUPSFLLKOYGDU-IBGZPJMESA-N 0 3 354.502 2.068 50 0 FEAAHN NCc1cccc(C(=O)N2CCN(C(=O)Cc3ccccc3Cl)CC2)c1 ZINC000241776744 548885427 /nfs/dbraw/zinc/88/54/27/548885427.db2.gz RSBPJGCUZZLGPR-UHFFFAOYSA-N 0 3 371.868 2.326 50 0 FEAAHN Cc1[nH]c2c(cc(F)cc2F)c1CCNC(=O)CN1CC[C@H](N(C)C)C1 ZINC000244724000 548893546 /nfs/dbraw/zinc/89/35/46/548893546.db2.gz MLVWJXAHLYACDJ-AWEZNQCLSA-N 0 3 364.440 2.049 50 0 FEAAHN COCC(=O)N1CCCN(Cc2ccc3c4c2cccc4C(=O)OC3)CC1 ZINC000244899643 548898935 /nfs/dbraw/zinc/89/89/35/548898935.db2.gz ZNIJSMMQPLTTQQ-UHFFFAOYSA-N 0 3 368.433 2.191 50 0 FEAAHN C[C@H](CNC(=O)NCCNC(=O)c1ccccc1F)N1CCCC[C@H]1C ZINC000252458398 549665257 /nfs/dbraw/zinc/66/52/57/549665257.db2.gz 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/nfs/dbraw/zinc/54/64/06/688546406.db2.gz SXJBSEQSYXSKNW-GFCCVEGCSA-N 0 3 367.496 2.414 50 0 FEAAHN COc1cc([C@@H]2NCCc3c4ccccc4[nH]c32)ccc1OCC(N)=O ZINC000002151348 539346204 /nfs/dbraw/zinc/34/62/04/539346204.db2.gz IHIBEVCEOJFSGU-IBGZPJMESA-N 0 3 351.406 2.276 50 0 biogenic FEAAHN O=C(c1ccnn1COc1ccccc1Cl)N1CCN2CCC[C@H]2C1 ZINC000002800626 539353690 /nfs/dbraw/zinc/35/36/90/539353690.db2.gz VVTUESNOQPYIMV-AWEZNQCLSA-N 0 3 360.845 2.493 50 0 FEAAHN O=C(NC1CCN(Cc2ccccc2)CC1)c1cccc(-n2cnnn2)c1 ZINC000004895861 539394992 /nfs/dbraw/zinc/39/49/92/539394992.db2.gz NKILRRLWJCEVRG-UHFFFAOYSA-N 0 3 362.437 2.057 50 0 FEAAHN Cc1cc(NC(=O)C(=O)NC[C@H](c2cccc3ccccc32)N(C)C)no1 ZINC000010333490 539515821 /nfs/dbraw/zinc/51/58/21/539515821.db2.gz ITPLPNMZNOJNAE-QGZVFWFLSA-N 0 3 366.421 2.494 50 0 FEAAHN CCOc1cc(CNCCOCCO)cc(Br)c1OCC ZINC000010435723 539517282 /nfs/dbraw/zinc/51/72/82/539517282.db2.gz NZMJHSCVLGTYCO-UHFFFAOYSA-N 0 3 362.264 2.345 50 0 FEAAHN Cc1cccc(CN2CCC[C@](O)(CNCc3ccncc3C)C2=O)c1 ZINC000011667248 539532065 /nfs/dbraw/zinc/53/20/65/539532065.db2.gz OSIQDBCIQXNSFP-NRFANRHFSA-N 0 3 353.466 2.342 50 0 FEAAHN CCCS(=O)(=O)N1CC[C@H](C2CCN(Cc3cccnc3)CC2)C1 ZINC000011820721 539536365 /nfs/dbraw/zinc/53/63/65/539536365.db2.gz XPVUHJHUMLMOOV-SFHVURJKSA-N 0 3 351.516 2.355 50 0 FEAAHN Cc1cc(C(=O)N2CC[C@@H](C3CCN(Cc4cccnc4)CC3)C2)nn1C ZINC000011938475 539539421 /nfs/dbraw/zinc/53/94/21/539539421.db2.gz BQNJJFWAJWCJSX-LJQANCHMSA-N 0 3 367.497 2.498 50 0 FEAAHN CCN(CC)C(=O)c1cn(C[C@H]2CCCN(Cc3ccccn3)C2)nn1 ZINC000012217983 539549897 /nfs/dbraw/zinc/54/98/97/539549897.db2.gz GGIMDPBUYFCODC-INIZCTEOSA-N 0 3 356.474 2.067 50 0 FEAAHN O=C(N[C@H](c1ccco1)C(F)(F)F)c1cn(CCN2CCCCC2)nn1 ZINC000012459792 539561317 /nfs/dbraw/zinc/56/13/17/539561317.db2.gz WJKAMTKYEBJXFJ-CQSZACIVSA-N 0 3 371.363 2.390 50 0 FEAAHN CN(CC1CCN(CCc2cccc(F)c2)CC1)C(=O)CCn1cncn1 ZINC000012584249 539566715 /nfs/dbraw/zinc/56/67/15/539566715.db2.gz MPNPPVITODIPPA-UHFFFAOYSA-N 0 3 373.476 2.220 50 0 FEAAHN Cc1cccc2c1NC(=O)[C@]21N[C@H](C(C)C)[C@H]2C(=O)N(C(C)(C)C)C(=O)[C@H]21 ZINC000016022211 539626608 /nfs/dbraw/zinc/62/66/08/539626608.db2.gz DMKXXMBABNHHDX-HFZMZTSTSA-N 0 3 369.465 2.170 50 0 FEAAHN COc1cc(OC)c(CN2CCN(CC(C)C)[C@@H](CCO)C2)c(OC)c1 ZINC000023372846 539713131 /nfs/dbraw/zinc/71/31/31/539713131.db2.gz LCDIIPIHJLKMSN-INIZCTEOSA-N 0 3 366.502 2.237 50 0 FEAAHN CCN(CC)Cc1cccc(NC(=O)[C@@H]2CCCCN2S(C)(=O)=O)c1 ZINC000024926859 539744208 /nfs/dbraw/zinc/74/42/08/539744208.db2.gz HUJAJYPKCKXTSZ-KRWDZBQOSA-N 0 3 367.515 2.281 50 0 FEAAHN COc1ccc([C@@H](CNC(=O)c2ccc3c(c2)OCC(=O)N3)N(C)C)cc1 ZINC000025174658 539750175 /nfs/dbraw/zinc/75/01/75/539750175.db2.gz KJGFTTFSZYFDMT-QGZVFWFLSA-N 0 3 369.421 2.059 50 0 FEAAHN C/C=C\c1ccc(OC[C@H](O)CN(CCOC)CCOC)c(OC)c1 ZINC000033503794 539974833 /nfs/dbraw/zinc/97/48/33/539974833.db2.gz MLOHZAVXDIVOHQ-KEGWNNHHSA-N 0 3 353.459 2.063 50 0 FEAAHN Cc1ccc(C)c(CN(CCN2CCOCC2)C[C@H](O)COC(C)C)c1 ZINC000036103801 539987456 /nfs/dbraw/zinc/98/74/56/539987456.db2.gz DHNPRAKVAFNIJK-NRFANRHFSA-N 0 3 364.530 2.224 50 0 FEAAHN COC(=O)C1CCN(C(=O)CN2CCC(Cc3ccccc3)CC2)CC1 ZINC000040161475 540008705 /nfs/dbraw/zinc/00/87/05/540008705.db2.gz VYPHSRDKMCSXLS-UHFFFAOYSA-N 0 3 358.482 2.353 50 0 FEAAHN O=C1CO[C@H](COc2ccc(F)cc2)CN1C1CCN(CCCF)CC1 ZINC000299767316 223088169 /nfs/dbraw/zinc/08/81/69/223088169.db2.gz QQLRNGOCWQXHHD-SFHVURJKSA-N 0 3 368.424 2.256 50 0 FEAAHN O=C(c1cccc(-c2cncnc2)c1)N1CCCO[C@H](CN2CCCC2)C1 ZINC000299800016 223104305 /nfs/dbraw/zinc/10/43/05/223104305.db2.gz ULMGTCXCSQGSRK-HXUWFJFHSA-N 0 3 366.465 2.471 50 0 FEAAHN CO[C@H]1CN(C(C)C)C[C@@H]1NC(=O)Nc1ccc(-c2nc(C)no2)cc1 ZINC000299798113 223101342 /nfs/dbraw/zinc/10/13/42/223101342.db2.gz PRIJPPLOYSIBOA-HOTGVXAUSA-N 0 3 359.430 2.274 50 0 FEAAHN C[C@@H]1CCC(=O)N1c1cccc(NC(=O)NCCN2CCC(CO)CC2)c1 ZINC000299800015 223102966 /nfs/dbraw/zinc/10/29/66/223102966.db2.gz YRFOFSNJSOIPQB-OAHLLOKOSA-N 0 3 374.485 2.028 50 0 FEAAHN Cn1nc(C(=O)N2CCC(N3CCSCC3)CC2)cc1C(F)(F)F ZINC000299798751 223103028 /nfs/dbraw/zinc/10/30/28/223103028.db2.gz SJDDDAMTPVCWLM-UHFFFAOYSA-N 0 3 362.421 2.092 50 0 FEAAHN CCN1CCN(CCNC(=O)Cc2cccn2-c2ccc(Cl)cc2)CC1 ZINC000065170749 541227934 /nfs/dbraw/zinc/22/79/34/541227934.db2.gz BNISFRIXWBXQKC-UHFFFAOYSA-N 0 3 374.916 2.427 50 0 FEAAHN O=C(CNC1(CO)CCOCC1)N[C@H](Cc1ccccc1)c1ccccc1 ZINC000069247000 541670691 /nfs/dbraw/zinc/67/06/91/541670691.db2.gz GXKIMUYTXSYLTQ-HXUWFJFHSA-N 0 3 368.477 2.218 50 0 FEAAHN COCCn1ccc(NC(=O)NC2CCN(Cc3ccccc3)CC2)n1 ZINC000072075024 541783285 /nfs/dbraw/zinc/78/32/85/541783285.db2.gz YIJAKHXUZRVQCZ-UHFFFAOYSA-N 0 3 357.458 2.316 50 0 FEAAHN Cc1c(C(=O)N[C@@H]2CCCN(CCc3ccccc3)C2)cnc2ccnn21 ZINC000072154177 541790384 /nfs/dbraw/zinc/79/03/84/541790384.db2.gz HPEWPPXUASWSOR-GOSISDBHSA-N 0 3 363.465 2.475 50 0 FEAAHN Cc1nn(CCO)cc1CN1CCC(c2nc3ccccc3n2C)CC1 ZINC000072161554 541792713 /nfs/dbraw/zinc/79/27/13/541792713.db2.gz JVEYFOTZRKRJGV-UHFFFAOYSA-N 0 3 353.470 2.450 50 0 FEAAHN O=C(c1ccccc1-c1ccccc1)N1CCO[C@@]2(C1)CNCCOC2 ZINC000072169345 541795095 /nfs/dbraw/zinc/79/50/95/541795095.db2.gz JSTMFKKUWMTHCV-OAQYLSRUSA-N 0 3 352.434 2.185 50 0 FEAAHN CCn1ncc(Br)c1C(=O)N1CCCN(CC2CC2)CC1 ZINC000072254187 541796934 /nfs/dbraw/zinc/79/69/34/541796934.db2.gz SFLGRMPZNYFEIJ-UHFFFAOYSA-N 0 3 355.280 2.223 50 0 FEAAHN CCc1ccc(CN(C)[C@H]2CN(C3Cc4ccccc4C3)C[C@@H]2O)nc1 ZINC000072409482 541806608 /nfs/dbraw/zinc/80/66/08/541806608.db2.gz COFMTWFLHQIZNA-VXKWHMMOSA-N 0 3 351.494 2.288 50 0 FEAAHN CNc1ncc(C(=O)N(CCc2ccccc2)C2CCN(C)CC2)cn1 ZINC000072411759 541807658 /nfs/dbraw/zinc/80/76/58/541807658.db2.gz BUSOKMLWUWQZII-UHFFFAOYSA-N 0 3 353.470 2.297 50 0 FEAAHN CN(Cc1ccco1)c1ncnc2c1CCN(Cc1cnn(C)c1)CC2 ZINC000072447200 541815068 /nfs/dbraw/zinc/81/50/68/541815068.db2.gz HWGRCYZCIZXFAW-UHFFFAOYSA-N 0 3 352.442 2.040 50 0 FEAAHN CN(C)Cc1nnc([C@@H]2CCCN(Cc3ccc4nsnc4c3)C2)n1C ZINC000072473600 541818509 /nfs/dbraw/zinc/81/85/09/541818509.db2.gz HXILXDMLHLPXRL-CQSZACIVSA-N 0 3 371.514 2.261 50 0 FEAAHN CCNc1ncc(C(=O)N2CCCN(C3Cc4ccccc4C3)CC2)cn1 ZINC000072470349 541818605 /nfs/dbraw/zinc/81/86/05/541818605.db2.gz XWONIDDITMSAKF-UHFFFAOYSA-N 0 3 365.481 2.224 50 0 FEAAHN CC[C@H](c1cn2cccnc2n1)n1ccnc1-c1cc2n(n1)CCCNC2 ZINC000072477584 541820195 /nfs/dbraw/zinc/82/01/95/541820195.db2.gz ZCEVKIIOTNBBQE-QGZVFWFLSA-N 0 3 362.441 2.282 50 0 FEAAHN CCOC(=O)[C@@H]1CCCN(C[C@@H](O)COc2ccc(OCC)cc2)C1 ZINC000013148511 220059833 /nfs/dbraw/zinc/05/98/33/220059833.db2.gz UWOQFBPMANMXKP-HZPDHXFCSA-N 0 3 351.443 2.100 50 0 FEAAHN O=C(Nc1ccc(F)cc1)[C@H]1CNC[C@@H](C(=O)NCc2ccc(F)cc2)C1 ZINC000014732292 220130673 /nfs/dbraw/zinc/13/06/73/220130673.db2.gz WTWHOMVGRQKKOC-LSDHHAIUSA-N 0 3 373.403 2.445 50 0 FEAAHN Cc1cc(=O)c(C(=O)NC2CC2)c(CCc2ccccc2)n1CCN(C)C ZINC000014999645 220139622 /nfs/dbraw/zinc/13/96/22/220139622.db2.gz BJDISIYLDUBENJ-UHFFFAOYSA-N 0 3 367.493 2.396 50 0 FEAAHN O=C(NCCN1CCCC1)[C@H]1Cc2ccccc2N1C(=O)c1ccccc1 ZINC000015773968 220163943 /nfs/dbraw/zinc/16/39/43/220163943.db2.gz NGPFHNSHLLGEEP-HXUWFJFHSA-N 0 3 363.461 2.470 50 0 FEAAHN COc1ccc2c(c1)C[C@H](C(=O)NCCN(C)Cc1ccccc1)CO2 ZINC000015786254 220164962 /nfs/dbraw/zinc/16/49/62/220164962.db2.gz BLCUHNMIUONRCQ-SFHVURJKSA-N 0 3 354.450 2.495 50 0 FEAAHN Cc1ccc(CNCc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1 ZINC000017317395 220214148 /nfs/dbraw/zinc/21/41/48/220214148.db2.gz FDTTTZYCGJUCPO-UHFFFAOYSA-N 0 3 360.479 2.306 50 0 FEAAHN O=C(c1cc2ccccc2s1)N1CCOC[C@@](O)(CN2CCCC2)C1 ZINC000077343555 542370687 /nfs/dbraw/zinc/37/06/87/542370687.db2.gz NNDQDLHPPXPTRP-LJQANCHMSA-N 0 3 360.479 2.201 50 0 FEAAHN Cn1ccc(C(=O)N2CCN(C34CC5CC(CC(C5)C3)C4)CC2)cc1=O ZINC000077408429 542379169 /nfs/dbraw/zinc/37/91/69/542379169.db2.gz SHFKCWZUWQMLGP-UHFFFAOYSA-N 0 3 355.482 2.112 50 0 FEAAHN O=C1CC[C@]2(CCCN(Cc3cccc(OC(F)F)c3)C2)CN1CCO ZINC000077503944 542390079 /nfs/dbraw/zinc/39/00/79/542390079.db2.gz AHVQBEWAHOTDOA-IBGZPJMESA-N 0 3 368.424 2.485 50 0 FEAAHN CCN(C)[C@@H]1c2ccccc2C2(CCN(C(=O)c3c[nH]c(C)n3)CC2)[C@H]1O ZINC000020774748 220341529 /nfs/dbraw/zinc/34/15/29/220341529.db2.gz LCTQQMSOTDHSIB-MOPGFXCFSA-N 0 3 368.481 2.259 50 0 FEAAHN C[C@@H](NCc1cccc(Cn2cccn2)c1)C(=O)NC(=O)NC(C)(C)C ZINC000056207931 221079285 /nfs/dbraw/zinc/07/92/85/221079285.db2.gz XLKKVRZQIZOJPT-CQSZACIVSA-N 0 3 357.458 2.034 50 0 FEAAHN C[NH+](C)CCCN[C@@H](CC(=O)Nc1cc(Cl)ccc1Cl)C(=O)[O-] ZINC000056964162 221083130 /nfs/dbraw/zinc/08/31/30/221083130.db2.gz BIRUITNWPJGDDI-ZDUSSCGKSA-N 0 3 362.257 2.317 50 0 FEAAHN C[C@H](CNC(=O)c1ccc(=O)n(-c2ccc(F)cc2)n1)N1CCC(C)CC1 ZINC000058170920 221102891 /nfs/dbraw/zinc/10/28/91/221102891.db2.gz YINUSISLSHQFCK-OAHLLOKOSA-N 0 3 372.444 2.222 50 0 FEAAHN O=C(CCNc1ncccn1)NC[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000058244810 221110183 /nfs/dbraw/zinc/11/01/83/221110183.db2.gz SFQWHDIRFYRIPW-SFHVURJKSA-N 0 3 353.470 2.307 50 0 FEAAHN CN(C)CCn1c2cc(NC(=O)c3cccc(N(C)C)c3)ccc2oc1=O ZINC000058264357 221111091 /nfs/dbraw/zinc/11/10/91/221111091.db2.gz PWICZQGPSLBIRQ-UHFFFAOYSA-N 0 3 368.437 2.474 50 0 FEAAHN CN(C)Cc1ccccc1CNC(=O)CCn1cnc2ccccc2c1=O ZINC000058435052 221119073 /nfs/dbraw/zinc/11/90/73/221119073.db2.gz KQHGSCWSOXYAKP-UHFFFAOYSA-N 0 3 364.449 2.165 50 0 FEAAHN CC(C)N(C[C@@H]1COc2ccccc2O1)C(=O)c1cc2n(n1)CCCNC2 ZINC000065397560 221210713 /nfs/dbraw/zinc/21/07/13/221210713.db2.gz CCQOIELDTZACLX-MRXNPFEDSA-N 0 3 370.453 2.067 50 0 FEAAHN CCn1nc(C)c(CCn2cnc3sc4c(c3c2=O)CCNC4)c1C ZINC000065406987 221215184 /nfs/dbraw/zinc/21/51/84/221215184.db2.gz ACVVYRHUZYEQCA-UHFFFAOYSA-N 0 3 357.483 2.180 50 0 FEAAHN COc1ccc(CNC(=O)CCN2CC=C(c3cnn(C)c3)CC2)cc1 ZINC000065489599 221224611 /nfs/dbraw/zinc/22/46/11/221224611.db2.gz REBHDKIQQFJQCT-UHFFFAOYSA-N 0 3 354.454 2.224 50 0 FEAAHN O=S(=O)(NC1CCN(CC2(O)CCCCC2)CC1)c1ccc(F)cc1 ZINC000065510847 221228844 /nfs/dbraw/zinc/22/88/44/221228844.db2.gz CDUQBFJIEBMLOE-UHFFFAOYSA-N 0 3 370.490 2.264 50 0 FEAAHN Cc1onc(-c2ccc(F)cc2)c1C(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000065513652 221228869 /nfs/dbraw/zinc/22/88/69/221228869.db2.gz IRWHDSMPCUYEBU-CVEARBPZSA-N 0 3 359.401 2.382 50 0 FEAAHN CCN(CC)Cc1cnc2c(C(=O)NCc3nc(C)cs3)cnn2c1 ZINC000067723316 221275974 /nfs/dbraw/zinc/27/59/74/221275974.db2.gz YULBMGKMPZPJMC-UHFFFAOYSA-N 0 3 358.471 2.266 50 0 FEAAHN O=C(c1cc(COc2c(F)cccc2F)on1)N1CCN2CCC[C@H]2C1 ZINC000067689248 221271852 /nfs/dbraw/zinc/27/18/52/221271852.db2.gz RDTDRRSQUUMVPU-LBPRGKRZSA-N 0 3 363.364 2.452 50 0 FEAAHN C[C@@H](CNC(=O)c1cc(Cn2cnc3ccccc32)n[nH]1)N1CCCC1 ZINC000067689124 221272688 /nfs/dbraw/zinc/27/26/88/221272688.db2.gz RIGMOSIKVYSVTO-AWEZNQCLSA-N 0 3 352.442 2.022 50 0 FEAAHN C[C@@H](Sc1ccccn1)C(=O)N1CCCN(C)C2(CCN(C)CC2)C1 ZINC000067817212 221288383 /nfs/dbraw/zinc/28/83/83/221288383.db2.gz PSTAUOVDYTWTQG-MRXNPFEDSA-N 0 3 362.543 2.191 50 0 FEAAHN COc1ccc(Cl)cc1C(=O)N1CCC2(CC1)CN(C)CCN2C ZINC000067741549 221279414 /nfs/dbraw/zinc/27/94/14/221279414.db2.gz VVLZZBHDJLKLHR-UHFFFAOYSA-N 0 3 351.878 2.201 50 0 FEAAHN COc1ccc2cc(CN3CCC[C@H](CN4CCOCC4)C3)c(=O)[nH]c2c1 ZINC000067784182 221284944 /nfs/dbraw/zinc/28/49/44/221284944.db2.gz UZSULCKVEGBXPP-MRXNPFEDSA-N 0 3 371.481 2.081 50 0 FEAAHN CNC(=O)c1ccc(CNc2nc(-c3ccccc3)nc3c2CCNC3)o1 ZINC000067855643 221295290 /nfs/dbraw/zinc/29/52/90/221295290.db2.gz SDTBQBMVHABSHH-UHFFFAOYSA-N 0 3 363.421 2.354 50 0 FEAAHN C[C@@H](c1nc(CC2CCN(C)CC2)no1)n1cnc2ccccc2c1=O ZINC000067946713 221306200 /nfs/dbraw/zinc/30/62/00/221306200.db2.gz KZYTWJANQLSAHN-ZDUSSCGKSA-N 0 3 353.426 2.273 50 0 FEAAHN CC(C)[C@H]1CN(C(=O)C2=NNC(=O)CC2)CCCN1Cc1ccc(F)cc1 ZINC000071419303 221348192 /nfs/dbraw/zinc/34/81/92/221348192.db2.gz TZKITRKZKZOLEN-GOSISDBHSA-N 0 3 374.460 2.151 50 0 FEAAHN O=C(c1cn2cccnc2n1)N1C[C@@H](c2ccccc2)[C@@H]2[C@H]1C1CCN2CC1 ZINC000071614669 221352598 /nfs/dbraw/zinc/35/25/98/221352598.db2.gz QYYMAZLEHJZLDE-DFQSSKMNSA-N 0 3 373.460 2.432 50 0 FEAAHN 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