smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C(CCN(CCc1ccccc1)C(=O)c1ccccc1)N1CCNCC1 ZINC000035421684 539982176 /nfs/dbraw/zinc/98/21/76/539982176.db2.gz PSSDTAGRIZYSIC-UHFFFAOYSA-N 0 1 365.477 2.193 10 0 FEAEMN CCc1nc(C)sc1C[N@H+]1CC2(C[C@@H]1C(=O)[O-])CCN(C(C)=O)CC2 ZINC000072421040 541809124 /nfs/dbraw/zinc/80/91/24/541809124.db2.gz AVMQXNYLSJONJX-OAHLLOKOSA-N 0 1 365.499 2.302 10 0 FEAEMN CCN1C(=O)NC(=O)C12CCN(Cc1cc3ccccc3nc1OC)CC2 ZINC000072447091 541815263 /nfs/dbraw/zinc/81/52/63/541815263.db2.gz AFHZOINIEDASQE-UHFFFAOYSA-N 0 1 368.437 2.150 10 0 FEAEMN COCCN(Cc1cccn1Cc1cccc(OC)c1)C[C@@H](O)COC ZINC000004799233 204163744 /nfs/dbraw/zinc/16/37/44/204163744.db2.gz IIUHOMUGJACUAL-LJQANCHMSA-N 0 1 362.470 2.001 10 0 FEAEMN O=C1CO[C@H]2CN(CCCc3ccccc3)C[C@H]2N1Cc1ccccn1 ZINC000067897150 204358619 /nfs/dbraw/zinc/35/86/19/204358619.db2.gz HMJYNXBMRUQFOU-UXHICEINSA-N 0 1 351.450 2.126 10 0 FEAEMN COc1ccc(-c2nnc(CCNC(=O)COc3ccccc3)[nH]2)cc1 ZINC000064969298 205311766 /nfs/dbraw/zinc/31/17/66/205311766.db2.gz ZBRQKASTKHSQDU-UHFFFAOYSA-N 0 1 352.394 2.218 10 0 FEAEMN O=C(NCCc1n[nH]c(Cc2cccc(F)c2)n1)c1ccc2c(c1)OCO2 ZINC000064969396 205312049 /nfs/dbraw/zinc/31/20/49/205312049.db2.gz JYUQUYCAIMMELV-UHFFFAOYSA-N 0 1 368.368 2.236 10 0 FEAEMN FC(F)(F)c1ccc(N2CCC(N3CC(N4CCOCC4)C3)CC2)nc1 ZINC000095378349 132209386 /nfs/dbraw/zinc/20/93/86/132209386.db2.gz FTCOZAOYFPGTET-UHFFFAOYSA-N 0 1 370.419 2.086 10 0 FEAEMN O=C(NCc1ccnc(N2CCCCC2)c1)N1CCN2CCCC[C@H]2C1 ZINC000105103961 543158535 /nfs/dbraw/zinc/15/85/35/543158535.db2.gz KQQSFWKAHOYXOV-SFHVURJKSA-N 0 1 357.502 2.452 10 0 FEAEMN C[N@H+](Cc1cc(=O)oc2cc([O-])ccc12)[C@H]1CCCN(c2cccnn2)C1 ZINC000106078765 543191712 /nfs/dbraw/zinc/19/17/12/543191712.db2.gz CQVSEIXXFYWSIZ-HNNXBMFYSA-N 0 1 366.421 2.389 10 0 FEAEMN C[N@@H+](Cc1cc(=O)oc2cc([O-])ccc12)[C@H]1CCCN(c2cccnn2)C1 ZINC000106078765 543191713 /nfs/dbraw/zinc/19/17/13/543191713.db2.gz CQVSEIXXFYWSIZ-HNNXBMFYSA-N 0 1 366.421 2.389 10 0 FEAEMN Cc1nc(CN2CCCN(Cc3cnc4c(cnn4C(C)C)c3)CC2)no1 ZINC000106146490 543208582 /nfs/dbraw/zinc/20/85/82/543208582.db2.gz YJWQLPWKBCGUFR-UHFFFAOYSA-N 0 1 369.473 2.412 10 0 FEAEMN CCn1cc(CN2CCCN(Cc3ccc4c(c3)OCCO4)CC2)cn1 ZINC000106158147 543210468 /nfs/dbraw/zinc/21/04/68/543210468.db2.gz GKGOXXYOGSKFGB-UHFFFAOYSA-N 0 1 356.470 2.382 10 0 FEAEMN CCOCCN1CCN(C[C@H](O)COc2c(C)cccc2C)C[C@@H]1C ZINC000106111384 543200981 /nfs/dbraw/zinc/20/09/81/543200981.db2.gz XQIXWDSQSCVEHR-OALUTQOASA-N 0 1 350.503 2.086 10 0 FEAEMN COc1ccc(NC(=O)[C@@H](C)N2CCC[C@H](Cn3cncn3)C2)c(OC)c1 ZINC000106173298 543212852 /nfs/dbraw/zinc/21/28/52/543212852.db2.gz LBAOIZGZUULMJB-CABCVRRESA-N 0 1 373.457 2.035 10 0 FEAEMN C[C@H](c1ccc(F)cc1)N(C)C(=O)CN1CCC[C@H](Cn2cncn2)C1 ZINC000106173723 543212913 /nfs/dbraw/zinc/21/29/13/543212913.db2.gz BCMPODJNUASJAA-CVEARBPZSA-N 0 1 359.449 2.349 10 0 FEAEMN COc1cccc(CNC(=O)[C@H](C)N2CCC(Cn3cccn3)CC2)c1 ZINC000106183572 543214828 /nfs/dbraw/zinc/21/48/28/543214828.db2.gz ZKSQZBFKVZPWLU-INIZCTEOSA-N 0 1 356.470 2.309 10 0 FEAEMN CCNC(=O)COc1ccc(NC(=O)[C@H](Cc2ccccc2)N(C)C)cc1 ZINC000106430601 543229829 /nfs/dbraw/zinc/22/98/29/543229829.db2.gz PPPZWQNPLJPRAA-IBGZPJMESA-N 0 1 369.465 2.313 10 0 FEAEMN CN(C)[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H](c2nnc3n2CCC3)C1 ZINC000106906309 543254773 /nfs/dbraw/zinc/25/47/73/543254773.db2.gz FMGWPNSAQALJKM-ROUUACIJSA-N 0 1 367.497 2.103 10 0 FEAEMN Cc1nc(CN2CCN(C(=O)[C@H](Cc3ccccc3)N(C)C)CC2)oc1C ZINC000106917223 543255342 /nfs/dbraw/zinc/25/53/42/543255342.db2.gz COMNZXVMJUCCQV-IBGZPJMESA-N 0 1 370.497 2.109 10 0 FEAEMN CC(C)N1CCO[C@@H](CN2CCN(C(=O)c3ccc4[nH]ccc4c3)CC2)C1 ZINC000107596207 543273400 /nfs/dbraw/zinc/27/34/00/543273400.db2.gz SILAVSUITVTKPQ-IBGZPJMESA-N 0 1 370.497 2.035 10 0 FEAEMN CC[N@@H+](C)[C@@H](C(=O)N1CCCN(Cc2cnn(C)c2)CC1)c1ccccc1 ZINC000109284697 543319918 /nfs/dbraw/zinc/31/99/18/543319918.db2.gz VXHSOQYINTZGNW-HXUWFJFHSA-N 0 1 369.513 2.147 10 0 FEAEMN Cc1ccc(C(=O)N2CCN(C[C@@H]3CN(C(C)C)CCO3)CC2)cc1C ZINC000109647490 543330346 /nfs/dbraw/zinc/33/03/46/543330346.db2.gz VLPGNSGWVQZNQU-HXUWFJFHSA-N 0 1 359.514 2.170 10 0 FEAEMN Cc1cnn([C@@H]2CCCN(C(=O)NCCCN3C[C@@H](C)O[C@@H](C)C3)C2)c1 ZINC000111811351 543416908 /nfs/dbraw/zinc/41/69/08/543416908.db2.gz IYFGIJZFQDGUDO-FGTMMUONSA-N 0 1 363.506 2.037 10 0 FEAEMN CCC[C@H](C)CS(=O)(=O)N(C)C1CCN(CCn2cccn2)CC1 ZINC000113291584 543482097 /nfs/dbraw/zinc/48/20/97/543482097.db2.gz OQWYVRZZBLHWCB-INIZCTEOSA-N 0 1 356.536 2.045 10 0 FEAEMN CCOCCN1CCN([C@@H](C)C(=O)NCCc2cccs2)C[C@@H]1CC ZINC000114719735 543531529 /nfs/dbraw/zinc/53/15/29/543531529.db2.gz CYYQMLBJROUJJJ-IRXDYDNUSA-N 0 1 367.559 2.228 10 0 FEAEMN CCc1nc2n(n1)C[C@H](NC(=O)NC[C@H](c1ccco1)N(CC)CC)CC2 ZINC000114946374 543546783 /nfs/dbraw/zinc/54/67/83/543546783.db2.gz PAGGVDXKOFMVCD-HUUCEWRRSA-N 0 1 374.489 2.131 10 0 FEAEMN CCOCCN1CCN(C(=O)NCCc2ccccc2OC)C[C@@H]1CC ZINC000117026237 543621996 /nfs/dbraw/zinc/62/19/96/543621996.db2.gz XRXCQXINMRYREM-SFHVURJKSA-N 0 1 363.502 2.380 10 0 FEAEMN CCOCCN1CCN(C(=O)N[C@@H](C)Cc2ccc(O)cc2)C[C@H]1CC ZINC000117038347 543622066 /nfs/dbraw/zinc/62/20/66/543622066.db2.gz MIXIFKFVNMWBCJ-FUHWJXTLSA-N 0 1 363.502 2.466 10 0 FEAEMN CC[C@H]1CN(C(=O)NCCOc2ccc(F)c(F)c2)CCN1CCOC ZINC000117493753 543634072 /nfs/dbraw/zinc/63/40/72/543634072.db2.gz DDULRZNHIXCVAS-AWEZNQCLSA-N 0 1 371.428 2.096 10 0 FEAEMN C[C@@H]1C[C@@H]1NC(=O)NCc1n[nH]c(-c2ccc(Br)cc2)n1 ZINC000120524062 543682000 /nfs/dbraw/zinc/68/20/00/543682000.db2.gz GPUHVWJRDFBUSP-KCJUWKMLSA-N 0 1 350.220 2.442 10 0 FEAEMN C[C@@H]1C[C@@H]1NC(=O)NCc1nc(-c2ccc(Br)cc2)n[nH]1 ZINC000120524062 543682002 /nfs/dbraw/zinc/68/20/02/543682002.db2.gz GPUHVWJRDFBUSP-KCJUWKMLSA-N 0 1 350.220 2.442 10 0 FEAEMN CCCn1cc(CN2CCCN(C(=O)c3ccc(F)cc3O)CC2)cn1 ZINC000123710352 543778636 /nfs/dbraw/zinc/77/86/36/543778636.db2.gz WWJHDXCFVIAJPY-UHFFFAOYSA-N 0 1 360.433 2.486 10 0 FEAEMN COc1c(CN2CCC[C@@H](c3nnc4n3CCCCC4)C2)c(C)nn1C ZINC000124167955 543804224 /nfs/dbraw/zinc/80/42/24/543804224.db2.gz CFBOTQFKQYVHPD-OAHLLOKOSA-N 0 1 358.490 2.435 10 0 FEAEMN CC[C@H]1CN(C(=O)Nc2cncc(Br)c2)CCN1CCOC ZINC000126287953 543927767 /nfs/dbraw/zinc/92/77/67/543927767.db2.gz AWCDMLNTRSMEIN-AWEZNQCLSA-N 0 1 371.279 2.419 10 0 FEAEMN CN(C)C[C@@H](NC(=O)C(=O)Nc1cccc(OCCF)c1)c1ccccc1 ZINC000126493030 543938897 /nfs/dbraw/zinc/93/88/97/543938897.db2.gz FWWCNUHABHUTTR-GOSISDBHSA-N 0 1 373.428 2.393 10 0 FEAEMN CCC[C@@H](C(=O)N1CCN(C[C@H]2CN(C(C)C)CCO2)CC1)C(C)C ZINC000134631784 544316135 /nfs/dbraw/zinc/31/61/35/544316135.db2.gz QOTILGDWBBVJHE-RBUKOAKNSA-N 0 1 353.551 2.312 10 0 FEAEMN CC[C@H]1CN2CCC[C@@H]2CN1C(=O)c1cccc(S(=O)(=O)CC)c1 ZINC000135263752 544339410 /nfs/dbraw/zinc/33/94/10/544339410.db2.gz WKRMYMKRJWBMEK-JKSUJKDBSA-N 0 1 350.484 2.179 10 0 FEAEMN CN(C)[C@@H](Cc1ccccc1)C(=O)N1CCO[C@H](c2cccc(O)c2)C1 ZINC000135316910 544341701 /nfs/dbraw/zinc/34/17/01/544341701.db2.gz PGHSGDXHYFKCTB-PMACEKPBSA-N 0 1 354.450 2.465 10 0 FEAEMN CCS(=O)(=O)c1cccc(C(=O)NC[C@H]2CCCN2CC(C)C)c1 ZINC000135791523 544360981 /nfs/dbraw/zinc/36/09/81/544360981.db2.gz HFAWYRUASZRCHL-MRXNPFEDSA-N 0 1 352.500 2.330 10 0 FEAEMN C[C@H]1C[C@H]1NC(=O)c1cc(S(=O)(=O)NCc2ccccc2)ccc1O ZINC000136886665 544380620 /nfs/dbraw/zinc/38/06/20/544380620.db2.gz WFNCEQQSBSHGQL-BLLLJJGKSA-N 0 1 360.435 2.009 10 0 FEAEMN CC(C)[N@H+]1C[C@@H](C)[C@@H](N[C@H](C(N)=O)c2ccc(Br)cc2)C1 ZINC000151848463 544587305 /nfs/dbraw/zinc/58/73/05/544587305.db2.gz JWZZIKINUBRAFX-UGFHNGPFSA-N 0 1 354.292 2.294 10 0 FEAEMN CCN(CC(=O)NC[C@H](c1ccc(C)s1)N1CCOCC1)C1CC1 ZINC000153324755 544761796 /nfs/dbraw/zinc/76/17/96/544761796.db2.gz RWUNOUUTFSNTLU-MRXNPFEDSA-N 0 1 351.516 2.030 10 0 FEAEMN CN1CCO[C@H]2CN(c3nn4cc(-c5ccc(F)cc5)nc4s3)C[C@@H]21 ZINC000153182450 544743256 /nfs/dbraw/zinc/74/32/56/544743256.db2.gz NKGMELKMAPFGNV-GJZGRUSLSA-N 0 1 359.430 2.116 10 0 FEAEMN C[C@H](CC(=O)c1ccc(Cl)cc1)C(=O)N1CCO[C@H](CN(C)C)C1 ZINC000184898214 327888120 /nfs/dbraw/zinc/88/81/20/327888120.db2.gz RETMNNMLLCSYJR-CZUORRHYSA-N 0 1 352.862 2.338 10 0 FEAEMN CCCOc1nc(C)ccc1C(=O)N1CCO[C@@H](c2n[nH]c(CC)n2)C1 ZINC000188399084 328084621 /nfs/dbraw/zinc/08/46/21/328084621.db2.gz XBKQCLDBZUXMGH-CQSZACIVSA-N 0 1 359.430 2.073 10 0 FEAEMN CCc1nc([C@H]2CN(C(=O)C3(Cc4ccccc4F)CC3)CCO2)n[nH]1 ZINC000188464658 328088572 /nfs/dbraw/zinc/08/85/72/328088572.db2.gz MBFDMUPWYTUCNF-OAHLLOKOSA-N 0 1 358.417 2.429 10 0 FEAEMN CC[C@@H]1CN(C(=O)c2ccc(OC)cc2OC(F)F)CCN1C[C@@H](C)O ZINC000188660581 328102496 /nfs/dbraw/zinc/10/24/96/328102496.db2.gz CTPCOLOPHXGWJT-CHWSQXEVSA-N 0 1 372.412 2.214 10 0 FEAEMN C[C@@H]1CN(C(=O)[C@@H]2C[C@@H]2c2ccc(F)c(F)c2)CCN1CC(C)(C)O ZINC000188755004 328108842 /nfs/dbraw/zinc/10/88/42/328108842.db2.gz RPHKJUWPABSKMA-BPLDGKMQSA-N 0 1 352.425 2.372 10 0 FEAEMN CC(=O)Nc1cc(S(=O)(=O)N[C@H](CC(C)C)CN(C)C)ccc1F ZINC000189133728 328130311 /nfs/dbraw/zinc/13/03/11/328130311.db2.gz XXUIEROGEYWGNT-CYBMUJFWSA-N 0 1 359.467 2.039 10 0 FEAEMN CC[C@@H]1CN(C(=O)CC2(CC(=O)OC)CCCC2)CCN1CCOC ZINC000189304541 328139938 /nfs/dbraw/zinc/13/99/38/328139938.db2.gz PHSPCKFQUPNCQK-MRXNPFEDSA-N 0 1 354.491 2.069 10 0 FEAEMN Cc1[nH]ncc1CNC(=O)N[C@H]1CCCN(C(=O)OC(C)(C)C)[C@@H]1C ZINC000190280992 328198043 /nfs/dbraw/zinc/19/80/43/328198043.db2.gz JPQSIVRAUQKICX-OCCSQVGLSA-N 0 1 351.451 2.305 10 0 FEAEMN CCN(CC(=O)OC(C)(C)C)C1CCN(C[C@@H](O)C(F)(F)F)CC1 ZINC000190347838 328201721 /nfs/dbraw/zinc/20/17/21/328201721.db2.gz UGXLRBXYTDZGHO-CYBMUJFWSA-N 0 1 354.413 2.038 10 0 FEAEMN CCN1CCC[C@@H](NC(=O)C(=O)Nc2ncc(Cc3ccccc3)s2)C1 ZINC000190403588 328205530 /nfs/dbraw/zinc/20/55/30/328205530.db2.gz WGDOPGWYCQBSQA-OAHLLOKOSA-N 0 1 372.494 2.273 10 0 FEAEMN C[N@@H+](CC(=O)[O-])[C@@H]1CCCN(C(=O)c2c[nH]nc2-c2ccccc2)CC1 ZINC000192146495 328302509 /nfs/dbraw/zinc/30/25/09/328302509.db2.gz DIKJTBQQQPHZCE-OAHLLOKOSA-N 0 1 356.426 2.088 10 0 FEAEMN C[C@@H]1CN(C(=O)c2ccc(I)c([O-])c2)C[C@H]1[NH+](C)C ZINC000230899913 328487556 /nfs/dbraw/zinc/48/75/56/328487556.db2.gz KRANQCIILPFZLR-BXKDBHETSA-N 0 1 374.222 2.019 10 0 FEAEMN C[C@H](c1cccnc1)N1CCN(C[C@H](O)COCc2ccccc2)CC1 ZINC000084963784 325247741 /nfs/dbraw/zinc/24/77/41/325247741.db2.gz ZMKZVUYDFLOGLA-NQIIRXRSSA-N 0 1 355.482 2.338 10 0 FEAEMN CCC[C@H](C(=O)Nc1ccc(C)c(S(=O)(=O)NC2CC2)c1)N(C)C ZINC000091732380 325391108 /nfs/dbraw/zinc/39/11/08/325391108.db2.gz HCJQXQVYRDFXDW-OAHLLOKOSA-N 0 1 353.488 2.105 10 0 FEAEMN Cc1cc(S(=O)(=O)N2CC[C@H](N(C)C)C2)sc1Br ZINC000094447431 325454092 /nfs/dbraw/zinc/45/40/92/325454092.db2.gz XRQQUBRVQPVQAE-VIFPVBQESA-N 0 1 353.307 2.144 10 0 FEAEMN CN(C)[C@H](Cc1ccccc1)C(=O)N1CCC(Nc2cccnn2)CC1 ZINC000106918305 325615585 /nfs/dbraw/zinc/61/55/85/325615585.db2.gz ZFLQZURCTFGUBZ-GOSISDBHSA-N 0 1 353.470 2.052 10 0 FEAEMN CCc1nc2n(n1)C[C@@H](N[C@@H](C(=O)N(CC)CC)c1ccccc1)CC2 ZINC000113442402 325848528 /nfs/dbraw/zinc/84/85/28/325848528.db2.gz SCKBPCZKBAMXCU-QFBILLFUSA-N 0 1 355.486 2.355 10 0 FEAEMN Cc1cccc(OCCNC(=O)[C@@H](C)N2CC[C@H](c3cnn(C)c3)C2)c1 ZINC000116312202 326005664 /nfs/dbraw/zinc/00/56/64/326005664.db2.gz WNKCQNANTZXJSC-SJORKVTESA-N 0 1 356.470 2.102 10 0 FEAEMN CC[C@@H]1CN(C(=O)Nc2ccc(N3CCCC3)nc2)CCN1CCOC ZINC000117399150 326059216 /nfs/dbraw/zinc/05/92/16/326059216.db2.gz ZHRGABAINQWCPU-QGZVFWFLSA-N 0 1 361.490 2.256 10 0 FEAEMN CC[C@@H]1CN(C(=O)Nc2ccccc2-n2cccn2)CCN1CCOC ZINC000117443877 326062083 /nfs/dbraw/zinc/06/20/83/326062083.db2.gz HNWRKJVHBDUFAU-MRXNPFEDSA-N 0 1 357.458 2.447 10 0 FEAEMN CC[C@H](O)CN1CCN([C@@H](C)C(=O)Nc2ccccc2C(F)(F)F)CC1 ZINC000118859104 326109356 /nfs/dbraw/zinc/10/93/56/326109356.db2.gz SSSXRCCVUOBYNX-KBPBESRZSA-N 0 1 373.419 2.421 10 0 FEAEMN CC[C@H](O)CN1CCN(CC(=O)Nc2c(Cl)cccc2Cl)CC1 ZINC000118859341 326109381 /nfs/dbraw/zinc/10/93/81/326109381.db2.gz BXTOQNAQEXWYHO-LBPRGKRZSA-N 0 1 360.285 2.320 10 0 FEAEMN CCOCCN1CCN(Cc2cn(-c3ccc(Cl)cc3)nn2)C[C@@H]1C ZINC000118982930 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326328916 /nfs/dbraw/zinc/32/89/16/326328916.db2.gz BPWHUWRKZPFMKN-AWEZNQCLSA-N 0 1 351.410 2.449 10 0 FEAEMN CN(CC(=O)N[C@H]1CC(C)(C)Oc2ccccc21)c1ncnc2[nH]cnc21 ZINC000121644585 326354668 /nfs/dbraw/zinc/35/46/68/326354668.db2.gz XAPVRMNOYULAJL-ZDUSSCGKSA-N 0 1 366.425 2.208 10 0 FEAEMN CCc1nc([C@@H]2CN(C(=O)c3cc(-c4ccc(F)cc4)on3)CCO2)n[nH]1 ZINC000121657461 326355303 /nfs/dbraw/zinc/35/53/03/326355303.db2.gz IJUAYWOUWVXKRH-HNNXBMFYSA-N 0 1 371.372 2.375 10 0 FEAEMN Cc1nc([C@H]2CN(C(=O)c3cc(Cl)c(N)c(Cl)c3)CCO2)n[nH]1 ZINC000122362358 326394012 /nfs/dbraw/zinc/39/40/12/326394012.db2.gz WYDXXXBJXYFJBF-LLVKDONJSA-N 0 1 356.213 2.216 10 0 FEAEMN C[N@H+]1CCC[C@@H]2CN(S(=O)(=O)C[C@@]34CC[C@@H](CC3=O)C4(C)C)CC[C@H]21 ZINC000122459425 326397590 /nfs/dbraw/zinc/39/75/90/326397590.db2.gz BZFDQTLOZHXUHB-OLMMMNRUSA-N 0 1 368.543 2.128 10 0 FEAEMN CN1CCC[C@@H]2CN(S(=O)(=O)C[C@@]34CC[C@@H](CC3=O)C4(C)C)CC[C@H]21 ZINC000122459425 326397591 /nfs/dbraw/zinc/39/75/91/326397591.db2.gz 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CN1CCCc2ccc(S(=O)(=O)N3CCCC[C@@H]3c3nnc[nH]3)cc21 ZINC000179683031 672404492 /nfs/dbraw/zinc/40/44/92/672404492.db2.gz IGBJGAIHAXQDGU-OAHLLOKOSA-N 0 1 361.471 2.103 10 0 FEAEMN C[C@H](NCC(=O)NCCCN1CCCC1=O)c1ccc(F)c(Cl)c1 ZINC000180728558 672417320 /nfs/dbraw/zinc/41/73/20/672417320.db2.gz CIECVTBYICOLGO-LBPRGKRZSA-N 0 1 355.841 2.258 10 0 FEAEMN CC(C)(C)OC(=O)NC[C@H]1CCCN1C(=O)CCCCc1cn[nH]n1 ZINC000182141826 672439476 /nfs/dbraw/zinc/43/94/76/672439476.db2.gz ANTDIPXZCQEJTQ-CQSZACIVSA-N 0 1 351.451 2.033 10 0 FEAEMN C[C@@H](CNCc1cn(-c2ccc(Cl)c(Cl)c2)nn1)N1CCOCC1 ZINC000183425564 672468476 /nfs/dbraw/zinc/46/84/76/672468476.db2.gz ZDUZAFQICXRPOC-LBPRGKRZSA-N 0 1 370.284 2.384 10 0 FEAEMN CC(C)(C)OC(=O)NC[C@@H]1CCC[C@@H]1[NH2+]CCC[N-]C(=O)C(F)(F)F ZINC000191914311 672677745 /nfs/dbraw/zinc/67/77/45/672677745.db2.gz GZVIXQIVCBENMW-RYUDHWBXSA-N 0 1 367.412 2.338 10 0 FEAEMN CC[C@@H]1CN(C(=O)Nc2cccc(C(F)(F)F)n2)CCN1C[C@H](C)O ZINC000249471584 672871378 /nfs/dbraw/zinc/87/13/78/672871378.db2.gz ULLBDBISXPZHKG-NWDGAFQWSA-N 0 1 360.380 2.409 10 0 FEAEMN CC(C)c1cc(NC(=O)NC2CC([N@H+](CC(=O)[O-])CC3CC3)C2)no1 ZINC000263022102 672925838 /nfs/dbraw/zinc/92/58/38/672925838.db2.gz JJBJECLYCBMISN-UHFFFAOYSA-N 0 1 350.419 2.247 10 0 FEAEMN O=C([O-])C[N@@H+](CC1CC1)C1CC(NC(=O)Nc2c(F)cccc2F)C1 ZINC000263482254 672934092 /nfs/dbraw/zinc/93/40/92/672934092.db2.gz LGERGCBJEWOYPO-UHFFFAOYSA-N 0 1 353.369 2.414 10 0 FEAEMN CSC1CCN(C(=O)[C@H]2CC[C@H](C(=O)[O-])[N@@H+]2Cc2ccccc2)CC1 ZINC000600985402 673816904 /nfs/dbraw/zinc/81/69/04/673816904.db2.gz OOJCDSGSFJWRFQ-IAGOWNOFSA-N 0 1 362.495 2.458 10 0 FEAEMN CSC1CCN(C(=O)[C@H]2CC[C@H](C(=O)[O-])[N@H+]2Cc2ccccc2)CC1 ZINC000600985402 673816906 /nfs/dbraw/zinc/81/69/06/673816906.db2.gz OOJCDSGSFJWRFQ-IAGOWNOFSA-N 0 1 362.495 2.458 10 0 FEAEMN CC(=O)N[C@]1(c2nc(C)cs2)CCN(Cc2ccnc(N(C)C)c2)C1 ZINC000779891402 681767163 /nfs/dbraw/zinc/76/71/63/681767163.db2.gz AHLNMEIRSNASAA-GOSISDBHSA-N 0 1 359.499 2.150 10 0 FEAEMN O=C([O-])C[N@@H+](CC1CC1)C1CC(NC(=O)c2cc(Cl)c(Cl)[nH]2)C1 ZINC000780113492 681796451 /nfs/dbraw/zinc/79/64/51/681796451.db2.gz YANXKSXQCPUYAI-UHFFFAOYSA-N 0 1 360.241 2.379 10 0 FEAEMN Cn1cc([C@@H]2CN(Cc3nccs3)C[C@H]2C(=O)N2CCCCC2)cn1 ZINC000888103415 688546367 /nfs/dbraw/zinc/54/63/67/688546367.db2.gz ZBLBMXJOCCCTAI-JKSUJKDBSA-N 0 1 359.499 2.105 10 0 FEAEMN CN1CCC[C@@H]1c1cc(C(=O)N2C[C@@H](c3ccsc3)[C@H](CO)C2)[nH]n1 ZINC000897761558 690077566 /nfs/dbraw/zinc/07/75/66/690077566.db2.gz KKVWVIIQCXXYSX-GRDNDAEWSA-N 0 1 360.483 2.086 10 0 FEAEMN COc1ccccc1-c1nc(C(=O)N2CCC[C@@H]2c2nn[nH]n2)cs1 ZINC000900390159 690510756 /nfs/dbraw/zinc/51/07/56/690510756.db2.gz ANYDUMPLTTXLEZ-GFCCVEGCSA-N 0 1 356.411 2.309 10 0 FEAEMN C[C@@H](NCC(=O)Nc1ccc(S(N)(=O)=O)cc1)c1ccc(Cl)cc1 ZINC000068757806 221318656 /nfs/dbraw/zinc/31/86/56/221318656.db2.gz JOMHFIVKZXDBRU-LLVKDONJSA-N 0 1 367.858 2.277 10 0 FEAEMN O=C(NC[C@H](O)C[N@@H+]1CCc2ccccc2C1)c1ccc(Cl)cc1[O-] ZINC000092603087 542873706 /nfs/dbraw/zinc/87/37/06/542873706.db2.gz PLTAZGHPIKKLLY-INIZCTEOSA-N 0 1 360.841 2.195 10 0 FEAEMN O=C(NC[C@H](O)C[N@H+]1CCc2ccccc2C1)c1ccc(Cl)cc1[O-] ZINC000092603087 542873709 /nfs/dbraw/zinc/87/37/09/542873709.db2.gz PLTAZGHPIKKLLY-INIZCTEOSA-N 0 1 360.841 2.195 10 0 FEAEMN Cc1cccc(N2CCN(CCCNC(=O)N[C@H]3CCCC[C@H]3O)CC2)c1 ZINC000103306188 543102166 /nfs/dbraw/zinc/10/21/66/543102166.db2.gz MOKUSLSMTYOHAK-VQTJNVASSA-N 0 1 374.529 2.110 10 0 FEAEMN Cc1ccc(NC(=O)N2CC[N@H+]3CCCC[C@@H]3C2)c(OCC(=O)N(C)C)c1 ZINC000105018013 543154982 /nfs/dbraw/zinc/15/49/82/543154982.db2.gz IPYOGGTUKCHTFR-MRXNPFEDSA-N 0 1 374.485 2.164 10 0 FEAEMN Cc1ccc(NC(=O)N2CCN3CCCC[C@@H]3C2)c(OCC(=O)N(C)C)c1 ZINC000105018013 543154983 /nfs/dbraw/zinc/15/49/83/543154983.db2.gz IPYOGGTUKCHTFR-MRXNPFEDSA-N 0 1 374.485 2.164 10 0 FEAEMN O=C(NCc1ccc(OCC(F)(F)F)nc1)N1CCN2CCCC[C@H]2C1 ZINC000105117629 543159705 /nfs/dbraw/zinc/15/97/05/543159705.db2.gz SNEOXWIMYRWDED-AWEZNQCLSA-N 0 1 372.391 2.402 10 0 FEAEMN COc1ccccc1N1CC[C@@H](CNC(=O)N2CCN3CCCC[C@@H]3C2)C1 ZINC000105218062 543165191 /nfs/dbraw/zinc/16/51/91/543165191.db2.gz JZPVBMOFAULFDD-ZWKOTPCHSA-N 0 1 372.513 2.401 10 0 FEAEMN CCOCCN1CCN(C[C@H](O)COc2ccc(C)cc2C)C[C@@H]1C ZINC000106110445 543200155 /nfs/dbraw/zinc/20/01/55/543200155.db2.gz HTGONYVVNOKSNH-OALUTQOASA-N 0 1 350.503 2.086 10 0 FEAEMN Cc1ccsc1CNC(=O)CN(C)[C@H]1CCCN(c2cccnn2)C1 ZINC000106075736 543190947 /nfs/dbraw/zinc/19/09/47/543190947.db2.gz AIVCHAVCSPXPOP-HNNXBMFYSA-N 0 1 359.499 2.064 10 0 FEAEMN CN(CC(=O)N(C1CC1)C1CCCC1)[C@@H]1CCCN(c2cccnn2)C1 ZINC000106075721 543191061 /nfs/dbraw/zinc/19/10/61/543191061.db2.gz WWCIFUMSOPVPPG-GOSISDBHSA-N 0 1 357.502 2.311 10 0 FEAEMN CCc1ccc([C@H](C)NC(=O)[C@H](C)N2CCN(C[C@@H](C)O)[C@H](C)C2)cc1 ZINC000106098875 543195629 /nfs/dbraw/zinc/19/56/29/543195629.db2.gz IITBJJMXFZNWDA-BDXSIMOUSA-N 0 1 361.530 2.202 10 0 FEAEMN CC[C@H]1CN([C@@H](C)C(=O)NCc2ccc(Cl)cc2)CCN1CCOC ZINC000106114974 543201863 /nfs/dbraw/zinc/20/18/63/543201863.db2.gz NWANEISIGZABOX-YJBOKZPZSA-N 0 1 367.921 2.387 10 0 FEAEMN O=C(CN1CCC[C@@H](Cn2cncn2)C1)N1CCSc2ccccc21 ZINC000106175267 543212701 /nfs/dbraw/zinc/21/27/01/543212701.db2.gz QZDSMTDQNMDPJJ-OAHLLOKOSA-N 0 1 357.483 2.129 10 0 FEAEMN Cc1ccc([C@@H](C)NC(=O)CN2CCC[C@H](Cn3cncn3)C2)cc1C ZINC000106176118 543213321 /nfs/dbraw/zinc/21/33/21/543213321.db2.gz SYXNNRYQOVEOBA-MSOLQXFVSA-N 0 1 355.486 2.484 10 0 FEAEMN CN(C)[C@@H](Cc1ccccc1)C(=O)N1CCC(CC(=O)N2CCCC2)CC1 ZINC000106907570 543255058 /nfs/dbraw/zinc/25/50/58/543255058.db2.gz HERCRXCNNNHPSY-FQEVSTJZSA-N 0 1 371.525 2.410 10 0 FEAEMN Cc1ccc(C(=O)N2CCN(C[C@H]3CN(C(C)C)CCO3)CC2)cc1F ZINC000109646010 543330129 /nfs/dbraw/zinc/33/01/29/543330129.db2.gz KPXWKQCXHGWYSU-SFHVURJKSA-N 0 1 363.477 2.001 10 0 FEAEMN Cc1cc(C)cc(C(=O)N2CCN(C[C@@H]3CN(C(C)C)CCO3)CC2)c1 ZINC000109647899 543330170 /nfs/dbraw/zinc/33/01/70/543330170.db2.gz YIOUCHMVGPYXDI-HXUWFJFHSA-N 0 1 359.514 2.170 10 0 FEAEMN CCc1ccc(C(=O)N2CCN(C[C@H]3CN(C(C)C)CCO3)CC2)cc1 ZINC000109646595 543330195 /nfs/dbraw/zinc/33/01/95/543330195.db2.gz TZNOIKABHJLJBY-FQEVSTJZSA-N 0 1 359.514 2.116 10 0 FEAEMN COC(=O)c1ccc(OC[C@H](O)CN2CCCC[C@@H]2c2cn[nH]c2)cc1 ZINC000114483867 543520168 /nfs/dbraw/zinc/52/01/68/543520168.db2.gz YQUGWGGKDAKTDT-SJLPKXTDSA-N 0 1 359.426 2.163 10 0 FEAEMN Cc1nc(C)n(C[C@H]2CCCN(CC(=O)N(C)Cc3ccc(F)cc3)C2)n1 ZINC000114720317 543531916 /nfs/dbraw/zinc/53/19/16/543531916.db2.gz GFUBPXOJHYNXCF-SFHVURJKSA-N 0 1 373.476 2.405 10 0 FEAEMN CC(=O)OCCCCOc1ccc([C@H]2C[N@H+](CCC(=O)[O-])CCO2)cc1 ZINC000116180406 543603110 /nfs/dbraw/zinc/60/31/10/543603110.db2.gz CCGYFJURJSXEQL-GOSISDBHSA-N 0 1 365.426 2.257 10 0 FEAEMN CC(=O)OCCCCOc1ccc([C@H]2C[N@@H+](CCC(=O)[O-])CCO2)cc1 ZINC000116180406 543603114 /nfs/dbraw/zinc/60/31/14/543603114.db2.gz CCGYFJURJSXEQL-GOSISDBHSA-N 0 1 365.426 2.257 10 0 FEAEMN CCOCCN1CCN(C(=O)NCc2cccnc2OCC)C[C@H]1CC ZINC000117030759 543621654 /nfs/dbraw/zinc/62/16/54/543621654.db2.gz JYYMJHCTAKBZBF-QGZVFWFLSA-N 0 1 364.490 2.123 10 0 FEAEMN CC[C@H]1CN(C(=O)NCCCOC2CCCCC2)CCN1CCOC ZINC000117472350 543632698 /nfs/dbraw/zinc/63/26/98/543632698.db2.gz MDTAXTKCECOCTP-KRWDZBQOSA-N 0 1 355.523 2.478 10 0 FEAEMN CN(C)C[C@H](NC(=O)C(=O)Nc1cnc(C(C)(C)C)nc1)c1ccccc1 ZINC000119564597 543669349 /nfs/dbraw/zinc/66/93/49/543669349.db2.gz CEULPWIXCDDJLZ-INIZCTEOSA-N 0 1 369.469 2.132 10 0 FEAEMN C[C@H]1C[C@H]1NC(=O)NCc1n[nH]c(-c2ccc(Br)cc2)n1 ZINC000120524555 543681426 /nfs/dbraw/zinc/68/14/26/543681426.db2.gz GPUHVWJRDFBUSP-GZMMTYOYSA-N 0 1 350.220 2.442 10 0 FEAEMN C[C@H]1C[C@H]1NC(=O)NCc1nc(-c2ccc(Br)cc2)n[nH]1 ZINC000120524555 543681430 /nfs/dbraw/zinc/68/14/30/543681430.db2.gz GPUHVWJRDFBUSP-GZMMTYOYSA-N 0 1 350.220 2.442 10 0 FEAEMN CC[C@@H](O)CN1CCN(Cc2cc(OC)ccc2Br)CC1 ZINC000123526623 543767028 /nfs/dbraw/zinc/76/70/28/543767028.db2.gz LTGNIIJUSBHXPR-CQSZACIVSA-N 0 1 357.292 2.346 10 0 FEAEMN C[C@H](CN(C)C(=O)c1cc(-c2ccc(Cl)s2)on1)c1nn[nH]n1 ZINC000124528616 543827854 /nfs/dbraw/zinc/82/78/54/543827854.db2.gz ONSFQJKSBNZHOQ-SSDOTTSWSA-N 0 1 352.807 2.445 10 0 FEAEMN CCCOc1cc(F)ccc1NC(=O)C(=O)N[C@@H]1CCCN(CC)C1 ZINC000128307441 544045222 /nfs/dbraw/zinc/04/52/22/544045222.db2.gz UAGDABMWCUSJQL-CQSZACIVSA-N 0 1 351.422 2.154 10 0 FEAEMN CC(C)S(=O)(=O)c1ccc(C(=O)N2C[C@@H]3CCCN3C[C@@H]2C)cc1 ZINC000247494471 549344160 /nfs/dbraw/zinc/34/41/60/549344160.db2.gz UNINLJDQLAAOBW-HOCLYGCPSA-N 0 1 350.484 2.177 10 0 FEAEMN CCc1nc([C@@H]2CN(c3nc(-c4cccnc4)nc(C)c3C)CCO2)n[nH]1 ZINC000131609124 544197656 /nfs/dbraw/zinc/19/76/56/544197656.db2.gz VTACOALYVFDPLM-HNNXBMFYSA-N 0 1 365.441 2.414 10 0 FEAEMN Fc1ccc2c(c1)[C@H](N1CCN(c3ccc4nncn4n3)CC1)CCC2 ZINC000132509455 544233372 /nfs/dbraw/zinc/23/33/72/544233372.db2.gz FDHPBAUZUCVUJD-QGZVFWFLSA-N 0 1 352.417 2.463 10 0 FEAEMN CCC[C@H](C(=O)N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1)C(C)C ZINC000134631715 544316338 /nfs/dbraw/zinc/31/63/38/544316338.db2.gz QOTILGDWBBVJHE-MOPGFXCFSA-N 0 1 353.551 2.312 10 0 FEAEMN CCc1nc([C@H]2CN(C(=O)N[C@H](C)CCc3ccccc3)CCO2)n[nH]1 ZINC000136221784 544369353 /nfs/dbraw/zinc/36/93/53/544369353.db2.gz MAXJRPZWSRXIJM-GDBMZVCRSA-N 0 1 357.458 2.471 10 0 FEAEMN CCc1nc([C@H]2CN(C(=O)NCCc3c[nH]c4ccccc34)CCO2)n[nH]1 ZINC000136228945 544369374 /nfs/dbraw/zinc/36/93/74/544369374.db2.gz VYTOMVYPTCHXHN-MRXNPFEDSA-N 0 1 368.441 2.174 10 0 FEAEMN CCc1nc([C@@H]2CN(C(=O)N[C@H]3CCCOc4ccccc43)CCO2)n[nH]1 ZINC000138281215 544394969 /nfs/dbraw/zinc/39/49/69/544394969.db2.gz VHAKOLUXEAYAGV-HOCLYGCPSA-N 0 1 371.441 2.364 10 0 FEAEMN CCc1nc([C@@H]2CN(C(=O)NC[C@H]3CCc4ccccc43)CCO2)n[nH]1 ZINC000139929990 544406083 /nfs/dbraw/zinc/40/60/83/544406083.db2.gz IGPMLAXDYSNFGQ-ZBFHGGJFSA-N 0 1 355.442 2.180 10 0 FEAEMN CC[C@H](O)CN1CCN([C@@H](C)c2nc(-c3ccc(OC)cc3)no2)CC1 ZINC000152119230 544614786 /nfs/dbraw/zinc/61/47/86/544614786.db2.gz CPDCQDDGMYLICN-HOCLYGCPSA-N 0 1 360.458 2.195 10 0 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/nfs/dbraw/zinc/89/29/46/547892946.db2.gz LYLHFXZVMGUZAH-CJNGLKHVSA-N 0 1 369.893 2.335 10 0 FEAEMN CC[C@@H]1CN(C(=O)NC2CCN(c3ccccc3)CC2)CCN1C[C@@H](C)O ZINC000184943342 547904686 /nfs/dbraw/zinc/90/46/86/547904686.db2.gz SZXZAANUGRWDCF-IEBWSBKVSA-N 0 1 374.529 2.142 10 0 FEAEMN Cc1oc(C(=O)[O-])cc1S(=O)(=O)N(CC[NH+](C)C)c1ccccc1 ZINC000185129182 547937881 /nfs/dbraw/zinc/93/78/81/547937881.db2.gz BTMKRILZSZZQMR-UHFFFAOYSA-N 0 1 352.412 2.043 10 0 FEAEMN CC[C@H]1C[N@H+]2CCC[C@@H]2CN1S(=O)(=O)c1ccc(C)c(C(=O)[O-])c1C ZINC000185154372 547942555 /nfs/dbraw/zinc/94/25/55/547942555.db2.gz SWQYKJJEPMMEMA-LSDHHAIUSA-N 0 1 366.483 2.249 10 0 FEAEMN CC(C)(CN[C@@H](c1ccc(Br)cc1)c1cncnc1)C(N)=O ZINC000186307750 548116992 /nfs/dbraw/zinc/11/69/92/548116992.db2.gz QSWOPSKIZQDURW-AWEZNQCLSA-N 0 1 363.259 2.430 10 0 FEAEMN CC(C)c1cc(NC(=O)N2CCN3CCCC[C@H]3C2)n(-c2ncccn2)n1 ZINC000186475863 548140940 /nfs/dbraw/zinc/14/09/40/548140940.db2.gz IYBLSSQZDZVDLZ-HNNXBMFYSA-N 0 1 369.473 2.488 10 0 FEAEMN CC[N@@H+](CC(=O)[O-])C1CCN(C(=O)c2cc(-c3ccc(C)cc3)n[nH]2)CC1 ZINC000186640144 548164136 /nfs/dbraw/zinc/16/41/36/548164136.db2.gz VEBZGWWZVJKRQR-UHFFFAOYSA-N 0 1 370.453 2.396 10 0 FEAEMN CC[N@H+](CC(=O)[O-])C1CCN(C(=O)c2cc(-c3ccc(C)cc3)[nH]n2)CC1 ZINC000186640144 548164138 /nfs/dbraw/zinc/16/41/38/548164138.db2.gz VEBZGWWZVJKRQR-UHFFFAOYSA-N 0 1 370.453 2.396 10 0 FEAEMN CC[N@@H+](CC(=O)[O-])C1CCN(C(=O)c2cc(-c3ccc(C)cc3)[nH]n2)CC1 ZINC000186640144 548164142 /nfs/dbraw/zinc/16/41/42/548164142.db2.gz VEBZGWWZVJKRQR-UHFFFAOYSA-N 0 1 370.453 2.396 10 0 FEAEMN Cc1cc2c(cc1C)O[C@@H](C(=O)N1CCC[C@H]([N@@H+](C)CC(=O)[O-])CC1)C2 ZINC000186647824 548165546 /nfs/dbraw/zinc/16/55/46/548165546.db2.gz LSVABRLSHYMTIE-FUHWJXTLSA-N 0 1 360.454 2.004 10 0 FEAEMN C[C@H](Oc1ccc(F)c(F)c1)C(=O)N1CCC[C@@H]([N@@H+](C)CC(=O)[O-])CC1 ZINC000186661436 548168681 /nfs/dbraw/zinc/16/86/81/548168681.db2.gz FUECVSOZNLGORI-QWHCGFSZSA-N 0 1 370.396 2.130 10 0 FEAEMN C[C@H](Oc1ccc(F)c(F)c1)C(=O)N1CCC[C@H]([N@@H+](C)CC(=O)[O-])CC1 ZINC000186661395 548169204 /nfs/dbraw/zinc/16/92/04/548169204.db2.gz FUECVSOZNLGORI-STQMWFEESA-N 0 1 370.396 2.130 10 0 FEAEMN C[N@@H+](CC(=O)[O-])[C@@H]1CCCN(C(=O)Cc2c(F)cccc2Cl)CC1 ZINC000186667742 548170079 /nfs/dbraw/zinc/17/00/79/548170079.db2.gz GZHVEJJIGMJVDM-GFCCVEGCSA-N 0 1 356.825 2.419 10 0 FEAEMN Cc1ccc(-c2cc(C(=O)N3CCO[C@H](Cn4cccn4)C3)n[nH]2)c(C)c1 ZINC000189421401 548301672 /nfs/dbraw/zinc/30/16/72/548301672.db2.gz CWWRVZHEIDRMEO-INIZCTEOSA-N 0 1 365.437 2.431 10 0 FEAEMN CC[C@H]1CN(C(=O)NCc2ccc3ncccc3c2)CCN1CCOC ZINC000194593050 548502556 /nfs/dbraw/zinc/50/25/56/548502556.db2.gz BPZKIZJARNOAMM-SFHVURJKSA-N 0 1 356.470 2.487 10 0 FEAEMN COc1ccccc1CNC(=O)[C@@H](C)N1CCC(c2ccnn2C)CC1 ZINC000195502366 548650269 /nfs/dbraw/zinc/65/02/69/548650269.db2.gz YOXWFVNVNYSJCW-OAHLLOKOSA-N 0 1 356.470 2.313 10 0 FEAEMN CC[C@@H]1CN(C(=O)Nc2ccc([S@@](C)=O)c(F)c2)CCN1CCOC ZINC000245474888 548930809 /nfs/dbraw/zinc/93/08/09/548930809.db2.gz RJSKHIMZGILMSF-DLUDVSRJSA-N 0 1 371.478 2.138 10 0 FEAEMN CC[C@@H]1CN(C(=O)Nc2ccn(CCC(C)C)n2)CCN1C[C@H](C)O ZINC000245579622 548950722 /nfs/dbraw/zinc/95/07/22/548950722.db2.gz GQFYWRKGNFYBPI-JKSUJKDBSA-N 0 1 351.495 2.238 10 0 FEAEMN COc1ccc(CC[C@H](C)NC(=O)N2CCN(C[C@H](C)O)[C@@H](C)C2)cc1 ZINC000245913568 549016601 /nfs/dbraw/zinc/01/66/01/549016601.db2.gz WCGRIVZKZRLYOE-ULQDDVLXSA-N 0 1 363.502 2.113 10 0 FEAEMN CN1CCO[C@H](CN[C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)C1 ZINC000246067751 549045333 /nfs/dbraw/zinc/04/53/33/549045333.db2.gz DOEPLBQFCRYYNI-DOMZBBRYSA-N 0 1 358.269 2.019 10 0 FEAEMN CC(C)N1C[C@@H](C)[C@H](NS(=O)(=O)c2ccccc2Br)C1 ZINC000246105193 549053543 /nfs/dbraw/zinc/05/35/43/549053543.db2.gz HSCPKXZTTYJGKM-DGCLKSJQSA-N 0 1 361.305 2.456 10 0 FEAEMN CC[C@H]1CN(C(=O)N[C@H](C)CCc2cccn2C)CCN1CCOC ZINC000246162736 549066761 /nfs/dbraw/zinc/06/67/61/549066761.db2.gz KUXYZZVERPNGAL-SJORKVTESA-N 0 1 350.507 2.098 10 0 FEAEMN COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1C[C@@H](O)COc1ccccc1F ZINC000246172866 549068635 /nfs/dbraw/zinc/06/86/35/549068635.db2.gz FNYMEIUOTMSXFS-ABFRBSLYSA-N 0 1 351.418 2.372 10 0 FEAEMN C[C@@H](C(=O)Nc1ccc(N2CCOCC2)cc1)N1CCN2CCCC[C@H]2C1 ZINC000246186878 549071921 /nfs/dbraw/zinc/07/19/21/549071921.db2.gz LQAWUURWHDUZPC-PXNSSMCTSA-N 0 1 372.513 2.020 10 0 FEAEMN CCOCCN1CC[N@H+](C[C@@H](O)COc2cc(C)cc(C)c2)C[C@@H]1CC ZINC000246207358 549078231 /nfs/dbraw/zinc/07/82/31/549078231.db2.gz AEWVYXRFVUVRIV-VQTJNVASSA-N 0 1 364.530 2.476 10 0 FEAEMN Cc1cc(C)cc(OCc2noc(CN3CCN(C[C@@H](C)O)[C@@H](C)C3)n2)c1 ZINC000246238690 549087071 /nfs/dbraw/zinc/08/70/71/549087071.db2.gz CYTKHRZEOZAWQZ-DLBZAZTESA-N 0 1 374.485 2.152 10 0 FEAEMN C[C@@H]1c2ccccc2CCN1C[C@@H](O)CN1C(=O)c2ccccc2C1=O ZINC000246325542 549106479 /nfs/dbraw/zinc/10/64/79/549106479.db2.gz IZCMGPRLPRXDFU-GDBMZVCRSA-N 0 1 350.418 2.263 10 0 FEAEMN CC[C@@H]1CN([C@@H](C)C(=O)N(CC)Cc2ccccc2)CCN1C[C@H](C)O ZINC000246385671 549121893 /nfs/dbraw/zinc/12/18/93/549121893.db2.gz OYBRHQKRQJRMQN-CMKODMSKSA-N 0 1 361.530 2.201 10 0 FEAEMN CCc1nc([C@@H]2CN(C(=O)NCCO[C@H]3CCCC[C@H]3C)CCO2)n[nH]1 ZINC000246719960 549195540 /nfs/dbraw/zinc/19/55/40/549195540.db2.gz FRRXWMPUJWGWQQ-ILXRZTDVSA-N 0 1 365.478 2.045 10 0 FEAEMN C[C@@H]1CN2CCC[C@H]2CN1C(=O)Nc1ccc(F)cc1CS(C)(=O)=O ZINC000246760960 549206536 /nfs/dbraw/zinc/20/65/36/549206536.db2.gz PNJIXZAYXYOTDJ-DOMZBBRYSA-N 0 1 369.462 2.071 10 0 FEAEMN Cc1nc([C@@H]2CN(CC(=O)N[C@H](CC(C)C)c3ccccc3)CCO2)n[nH]1 ZINC000246893656 549237456 /nfs/dbraw/zinc/23/74/56/549237456.db2.gz HHYIDMSEYATORQ-MSOLQXFVSA-N 0 1 371.485 2.390 10 0 FEAEMN CC[C@@H]1CN(CC(=O)Nc2ccccc2OC(F)F)CCN1C[C@H](C)O ZINC000246907673 549240238 /nfs/dbraw/zinc/24/02/38/549240238.db2.gz ACSHRFAEWDGMJG-UONOGXRCSA-N 0 1 371.428 2.004 10 0 FEAEMN Cc1nc([C@H]2CN(C[C@@H](O)COc3ccc(C(C)(C)C)cc3)CCO2)n[nH]1 ZINC000246987419 549257455 /nfs/dbraw/zinc/25/74/55/549257455.db2.gz NATWQYZBVFFQTR-SJLPKXTDSA-N 0 1 374.485 2.224 10 0 FEAEMN CC[C@H]1CN([C@H](C)C(=O)N(C)Cc2cccc(F)c2)CCN1CCOC ZINC000247599221 549365141 /nfs/dbraw/zinc/36/51/41/549365141.db2.gz KSCLVYMVASAEFN-APWZRJJASA-N 0 1 365.493 2.215 10 0 FEAEMN C[C@H](O)C[N@H+]1CCN(C[C@@H](O)COc2ccc(C(C)(C)C)cc2)C[C@H]1C ZINC000247777496 549380010 /nfs/dbraw/zinc/38/00/10/549380010.db2.gz RBBSDAZRDKVQAX-ZIFCJYIRSA-N 0 1 364.530 2.111 10 0 FEAEMN C[C@H](C(=O)Nc1ccc(Cl)cn1)N(C)[C@H]1CCCN(c2cccnn2)C1 ZINC000247811043 549382938 /nfs/dbraw/zinc/38/29/38/549382938.db2.gz UXORVIVIBWUIHJ-HIFRSBDPSA-N 0 1 374.876 2.453 10 0 FEAEMN CCOCCN1CCN([C@H](C)C(=O)Nc2ccnn2C(C)C)C[C@H]1CC ZINC000247812615 549384691 /nfs/dbraw/zinc/38/46/91/549384691.db2.gz VHUOILPHCQXEGC-IAGOWNOFSA-N 0 1 365.522 2.224 10 0 FEAEMN Cc1cc(Cl)ccc1NC(=O)[C@H](C)N1CCN(C[C@H](C)O)[C@@H](C)C1 ZINC000247877095 549388498 /nfs/dbraw/zinc/38/84/98/549388498.db2.gz YUVRSDNFSXKGGT-KKUMJFAQSA-N 0 1 353.894 2.362 10 0 FEAEMN O=C(CN1CCN2CCCC[C@H]2C1)N(Cc1ccco1)CC(F)(F)F ZINC000248366453 549422047 /nfs/dbraw/zinc/42/20/47/549422047.db2.gz SDGUMMFIKQLHLJ-AWEZNQCLSA-N 0 1 359.392 2.341 10 0 FEAEMN CC[C@@H]1CN(C(=O)N[C@H](C)c2cc(F)ccc2OC)CCN1C[C@H](C)O ZINC000248432637 549436583 /nfs/dbraw/zinc/43/65/83/549436583.db2.gz CHNRBWDWCOPROX-SQWLQELKSA-N 0 1 367.465 2.382 10 0 FEAEMN CC[C@H]1CN(C(=O)NCc2cc(Cl)ccc2OC)CCN1C[C@H](C)O ZINC000248454451 549442674 /nfs/dbraw/zinc/44/26/74/549442674.db2.gz LYLHFXZVMGUZAH-BBRMVZONSA-N 0 1 369.893 2.335 10 0 FEAEMN CC[C@@H]1CN(C(=O)N[C@H](C)Cc2ccccc2F)CCN1C[C@@H](C)O ZINC000248464302 549445097 /nfs/dbraw/zinc/44/50/97/549445097.db2.gz YIVLKHUAWKXTAQ-BFYDXBDKSA-N 0 1 351.466 2.243 10 0 FEAEMN CC[C@@H]1CN(C(=O)NCc2nc(C(C)C)cs2)CCN1C[C@H](C)O ZINC000248484641 549449007 /nfs/dbraw/zinc/44/90/07/549449007.db2.gz KDCYYCSTUULRSJ-UONOGXRCSA-N 0 1 354.520 2.253 10 0 FEAEMN CCOCCC1(CNC(=O)N2CCN(C[C@H](C)O)[C@@H](C)C2)CCCC1 ZINC000248645446 549474843 /nfs/dbraw/zinc/47/48/43/549474843.db2.gz SHTFPXWBOOQKMI-IRXDYDNUSA-N 0 1 355.523 2.070 10 0 FEAEMN CCCCN1CCOC[C@H]1C(=O)NC[C@H](c1cccc(F)c1)N(C)C ZINC000248646147 549475777 /nfs/dbraw/zinc/47/57/77/549475777.db2.gz ROARZGITGCCYFW-MSOLQXFVSA-N 0 1 351.466 2.046 10 0 FEAEMN CC[C@H]1C[N@H+]2CCC[C@H]2CN1S(=O)(=O)c1cc(C(=O)[O-])c(C)cc1F ZINC000248904065 549526112 /nfs/dbraw/zinc/52/61/12/549526112.db2.gz XXFKOJZGPUWIEX-STQMWFEESA-N 0 1 370.446 2.080 10 0 FEAEMN CC(C)[NH+]1CCN(CCCN2C[C@H](O)C[C@H]2c2cc(F)ccc2F)CC1 ZINC000248951262 549530531 /nfs/dbraw/zinc/53/05/31/549530531.db2.gz DCARWOVWYPFSHK-XLIONFOSSA-N 0 1 367.484 2.489 10 0 FEAEMN CCN(CC)[C@H](CNC(=O)C1([NH3+])CCOCC1)c1ccccc1Cl ZINC000261657058 549739831 /nfs/dbraw/zinc/73/98/31/549739831.db2.gz AVCHFTJUFAMIHN-MRXNPFEDSA-N 0 1 353.894 2.347 10 0 FEAEMN C[C@@H](C(=O)N[C@@H]1CCCC[C@H]1C)[N@H+]1C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C1 ZINC000262731432 549843781 /nfs/dbraw/zinc/84/37/81/549843781.db2.gz BQOAMVWXSHEGLH-NZEXEKPDSA-N 0 1 350.381 2.265 10 0 FEAEMN C[C@@H](Oc1cccc(F)c1)C(=O)NC1CC([N@H+](CC(=O)[O-])CC2CC2)C1 ZINC000262732910 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RBBSDAZRDKVQAX-LNLFQRSKSA-N 0 1 364.530 2.111 10 0 FEAEMN Cc1cc(Cl)ccc1NC(=O)[C@H](C)N1CCN(C[C@@H](C)O)[C@@H](C)C1 ZINC000247877097 549388653 /nfs/dbraw/zinc/38/86/53/549388653.db2.gz YUVRSDNFSXKGGT-ZNMIVQPWSA-N 0 1 353.894 2.362 10 0 FEAEMN Cc1cc(C[C@H](C)NC(=O)[C@H]2CC(=O)N(C)[C@H]2c2ccc(F)cc2)n[nH]1 ZINC000247978922 549397764 /nfs/dbraw/zinc/39/77/64/549397764.db2.gz GYGGIUYIUFDERW-PBQZTSCYSA-N 0 1 358.417 2.124 10 0 FEAEMN CC[C@@H]1CN(C(=O)NC[C@H](C)Oc2ccccc2C)CCN1C[C@@H](C)O ZINC000248504991 549451203 /nfs/dbraw/zinc/45/12/03/549451203.db2.gz VYAIYIFENLPXET-FGTMMUONSA-N 0 1 363.502 2.249 10 0 FEAEMN CC(C)S(=O)(=O)CCCN1C[C@@H]2CC[C@H](NC(=O)OC(C)(C)C)[C@H]2C1 ZINC000248638595 549474453 /nfs/dbraw/zinc/47/44/53/549474453.db2.gz YRJWBZQGEFRYRW-JYJNAYRXSA-N 0 1 374.547 2.435 10 0 FEAEMN CC(C)COC[C@H](NC(=O)N1CCN(C[C@H](C)O)[C@H](C)C1)c1ccco1 ZINC000248666667 549480446 /nfs/dbraw/zinc/48/04/46/549480446.db2.gz WTNXSEMUIKGMLO-IKGGRYGDSA-N 0 1 367.490 2.090 10 0 FEAEMN CC(C)c1ccc(C(=O)[O-])cc1S(=O)(=O)N1C[C@@H]2CCC[N@H+]2C[C@H]1C ZINC000248894029 549523293 /nfs/dbraw/zinc/52/32/93/549523293.db2.gz ULMLHGZMZUGMMP-HIFRSBDPSA-N 0 1 366.483 2.365 10 0 FEAEMN CC[C@H](C)NC(=O)C[N@H+]1CCC[C@@H](N(C)CC(=O)OC(C)(C)C)CC1 ZINC000248957498 549532034 /nfs/dbraw/zinc/53/20/34/549532034.db2.gz BSYHUQWFRJCEAM-JKSUJKDBSA-N 0 1 355.523 2.029 10 0 FEAEMN C[N@@H+](CC(=O)[O-])[C@H]1CCCN(C(=O)[C@@H]2SCCc3ccccc32)CC1 ZINC000249118600 549555730 /nfs/dbraw/zinc/55/57/30/549555730.db2.gz OXSDMCHDIWNBHU-MAUKXSAKSA-N 0 1 362.495 2.415 10 0 FEAEMN CC[C@H]1CN(C(=O)c2ccc(OC)cc2OC(C)C)CCN1C[C@H](C)O ZINC000249154667 549561835 /nfs/dbraw/zinc/56/18/35/549561835.db2.gz YMEJPSSTYACWLB-HOTGVXAUSA-N 0 1 364.486 2.400 10 0 FEAEMN CC(=O)N[C@H]1CCCN(C[C@@H](O)COc2cc(Cl)ccc2Cl)C1 ZINC000249710100 549618086 /nfs/dbraw/zinc/61/80/86/549618086.db2.gz DBAOVOMODIUBDD-UONOGXRCSA-N 0 1 361.269 2.334 10 0 FEAEMN COC[C@@H](N)C(=O)NCC1(c2ccc(Br)cc2)CCCC1 ZINC000262282305 549806410 /nfs/dbraw/zinc/80/64/10/549806410.db2.gz LWIHCBBXXRUZPG-CQSZACIVSA-N 0 1 355.276 2.351 10 0 FEAEMN COC[C@@H](N)C(=O)N[C@@H](c1cccc(OC)c1)c1cc(F)ccc1OC ZINC000262371830 549814633 /nfs/dbraw/zinc/81/46/33/549814633.db2.gz WUBDUYTXIKMKRZ-AEFFLSMTSA-N 0 1 362.401 2.022 10 0 FEAEMN COC[C@@H](N)C(=O)N[C@H](c1cccc(OC)c1)c1cc(F)ccc1OC ZINC000262371848 549814837 /nfs/dbraw/zinc/81/48/37/549814837.db2.gz WUBDUYTXIKMKRZ-SJLPKXTDSA-N 0 1 362.401 2.022 10 0 FEAEMN CCc1ccc(S(=O)(=O)NC2CC([N@@H+](CC)CC(=O)[O-])C2)cc1CC ZINC000262455372 549820983 /nfs/dbraw/zinc/82/09/83/549820983.db2.gz HNNTWNYGPVFKIR-UHFFFAOYSA-N 0 1 368.499 2.027 10 0 FEAEMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)CCC(=O)c2cc(C)ccc2C)C1 ZINC000262712718 549842275 /nfs/dbraw/zinc/84/22/75/549842275.db2.gz MFHNRRVMKPIJSE-UHFFFAOYSA-N 0 1 360.454 2.320 10 0 FEAEMN O=C([O-])C[N@@H+](CC1CC1)C1CC(NC(=O)c2cc(-c3ccccc3)no2)C1 ZINC000262723676 549843398 /nfs/dbraw/zinc/84/33/98/549843398.db2.gz RAUXBEJDHNDCTR-UHFFFAOYSA-N 0 1 369.421 2.399 10 0 FEAEMN CC(C)[C@H](CC1CCCCC1)C(=O)N1CCO[C@@H](C[N@@H+](C)CC(=O)[O-])C1 ZINC000262880757 549858959 /nfs/dbraw/zinc/85/89/59/549858959.db2.gz NJZJAXIRWNIPKE-ROUUACIJSA-N 0 1 368.518 2.473 10 0 FEAEMN C[N@H+](CC(=O)[O-])C[C@@H]1CN(Cc2ccc(Cl)c3cccnc23)CCO1 ZINC000262934320 549863851 /nfs/dbraw/zinc/86/38/51/549863851.db2.gz TUTTWVTUCQUQFD-CQSZACIVSA-N 0 1 363.845 2.105 10 0 FEAEMN CC[N@@H+](CC(=O)[O-])C1CCN(C(=O)CSc2ccc(OC)cc2)CC1 ZINC000263011590 549871048 /nfs/dbraw/zinc/87/10/48/549871048.db2.gz YRSBHTSFCBWKCV-UHFFFAOYSA-N 0 1 366.483 2.185 10 0 FEAEMN CC[N@@H+](CC(=O)[O-])C1CCN(C(=O)[C@H]2Cc3cc(Cl)ccc3O2)CC1 ZINC000263020255 549871862 /nfs/dbraw/zinc/87/18/62/549871862.db2.gz ZZNBYGBLDWPPIS-MRXNPFEDSA-N 0 1 366.845 2.041 10 0 FEAEMN COc1ccc(-c2noc(C[N@@H+]3C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C3)n2)cc1 ZINC000263095972 549877434 /nfs/dbraw/zinc/87/74/34/549877434.db2.gz YYGGRQYIMRBAMP-VXGBXAGGSA-N 0 1 371.315 2.440 10 0 FEAEMN COc1ccc(-c2noc(C[N@H+]3C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C3)n2)cc1 ZINC000263095972 549877438 /nfs/dbraw/zinc/87/74/38/549877438.db2.gz YYGGRQYIMRBAMP-VXGBXAGGSA-N 0 1 371.315 2.440 10 0 FEAEMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)N[C@H]2CCOC3(CCCCC3)C2)C1 ZINC000263188623 549884708 /nfs/dbraw/zinc/88/47/08/549884708.db2.gz FZTLODFDIPWJQH-FHERZECASA-N 0 1 367.490 2.105 10 0 FEAEMN CCS[C@H]1CC[C@H](N(C)C(=O)NC2CC([N@@H+](CC)CC(=O)[O-])C2)C1 ZINC000263457031 549902266 /nfs/dbraw/zinc/90/22/66/549902266.db2.gz HQEPMHPWMNNEEF-SHWKFHJASA-N 0 1 357.520 2.240 10 0 FEAEMN CC[N@@H+](CC(=O)[O-])C1CC(NCc2cccc(Br)c2OC)C1 ZINC000263471663 549903592 /nfs/dbraw/zinc/90/35/92/549903592.db2.gz DQLJYSWIKYNAHK-UHFFFAOYSA-N 0 1 371.275 2.485 10 0 FEAEMN C[N@H+](CC(=O)[O-])C[C@@H]1CN(Cc2cccc(OC3CCCC3)c2)CCO1 ZINC000263510729 549906381 /nfs/dbraw/zinc/90/63/81/549906381.db2.gz NGOVYIDNXAKQBR-LJQANCHMSA-N 0 1 362.470 2.225 10 0 FEAEMN C[N@H+](CC(=O)[O-])C[C@@H]1CN(Cc2nc(-c3ccccc3)cs2)CCO1 ZINC000263529402 549906807 /nfs/dbraw/zinc/90/68/07/549906807.db2.gz VRILDDPDNNOXEX-OAHLLOKOSA-N 0 1 361.467 2.027 10 0 FEAEMN C[C@H]1CN(C2CCN(c3nc(N(C)C)cc(C(F)(F)F)n3)CC2)CCO1 ZINC000301085229 553620127 /nfs/dbraw/zinc/62/01/27/553620127.db2.gz LRVUQDVJUIDFOR-LBPRGKRZSA-N 0 1 373.423 2.251 10 0 FEAEMN O=C([O-])[C@H]1CCCN(C(=O)N[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)C1 ZINC000313022242 553756314 /nfs/dbraw/zinc/75/63/14/553756314.db2.gz PGYDGQPGKHPGOG-FCGDIQPGSA-N 0 1 371.481 2.403 10 0 FEAEMN O=c1cc(N2CCC(O)CC2)cnn1[C@H]1CCCN(Cc2cccs2)C1 ZINC000328606981 553795349 /nfs/dbraw/zinc/79/53/49/553795349.db2.gz UJSLWSDZSVQPEH-HNNXBMFYSA-N 0 1 374.510 2.103 10 0 FEAEMN Cc1sc(Br)cc1S(=O)(=O)N1CCN2CCC[C@@H]2C1 ZINC000094871102 568150228 /nfs/dbraw/zinc/15/02/28/568150228.db2.gz KBXCYLFHRDQZHD-SNVBAGLBSA-N 0 1 365.318 2.288 10 0 FEAEMN Cc1[nH]ncc1CCCNC(=O)N[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000045253538 670201771 /nfs/dbraw/zinc/20/17/71/670201771.db2.gz RHFASICBICFXOK-GFCCVEGCSA-N 0 1 364.471 2.115 10 0 FEAEMN O=C([N-]CCC[N@H+]1C[C@@H](O)C[C@@H]1c1cc(F)ccc1F)C(F)(F)F ZINC000089262687 670697050 /nfs/dbraw/zinc/69/70/50/670697050.db2.gz JHXOTBNDZXSBLP-GXFFZTMASA-N 0 1 352.303 2.141 10 0 FEAEMN C[C@@H]1CN2CCC[C@@H]2CN1S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F ZINC000120915074 671938298 /nfs/dbraw/zinc/93/82/98/671938298.db2.gz WGNXSXAUMRBDOW-HTQZYQBOSA-N 0 1 370.343 2.239 10 0 FEAEMN CC(C)(O)CN1CCN(C[C@H]2CC(c3ccc(Cl)cc3)=NO2)CC1 ZINC000120963391 671939200 /nfs/dbraw/zinc/93/92/00/671939200.db2.gz OAJXXUNPXKVUKK-MRXNPFEDSA-N 0 1 351.878 2.222 10 0 FEAEMN COC(=O)c1ccc(Cl)c(S(=O)(=O)N[C@H]2CN(C(C)C)C[C@@H]2C)c1 ZINC000173885934 672355113 /nfs/dbraw/zinc/35/51/13/672355113.db2.gz GWUKCFVNINYXAU-FZMZJTMJSA-N 0 1 374.890 2.134 10 0 FEAEMN CC[C@H](O)CN1CCN(CC(=O)Nc2ccccc2SC(F)F)CC1 ZINC000174088104 672357850 /nfs/dbraw/zinc/35/78/50/672357850.db2.gz NZHBRWDFOJXOKG-ZDUSSCGKSA-N 0 1 373.469 2.328 10 0 FEAEMN CCN1CCC[C@@H]1CN(C)S(=O)(=O)c1cc(C(=O)OC)ccc1Cl ZINC000175393182 672368084 /nfs/dbraw/zinc/36/80/84/672368084.db2.gz ZBXRQPKJDUMBPV-CYBMUJFWSA-N 0 1 374.890 2.231 10 0 FEAEMN CC(C)(C)OC(=O)N[C@H]1CC[C@H](C(=O)N2CCN(CC3CC3)CC2)C1 ZINC000175551009 672369153 /nfs/dbraw/zinc/36/91/53/672369153.db2.gz ZCCAJMGPTWOURW-HOTGVXAUSA-N 0 1 351.491 2.234 10 0 FEAEMN CC[C@@H]1CN(C(=O)c2cc(Cl)c(N)c(Cl)c2)CCN1C[C@@H](C)O ZINC000182737922 672452352 /nfs/dbraw/zinc/45/23/52/672452352.db2.gz JIDGVGUEIOJHOE-ZYHUDNBSSA-N 0 1 360.285 2.493 10 0 FEAEMN C[NH+](C)C[C@@H](NS(=O)(=O)c1cc(F)cc(C(=O)[O-])c1)c1ccccc1 ZINC000184889297 672510698 /nfs/dbraw/zinc/51/06/98/672510698.db2.gz LVDMDOWCEJCMIH-MRXNPFEDSA-N 0 1 366.414 2.105 10 0 FEAEMN Cc1ccccc1NC(=O)[C@H](C)N[C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000192657540 672697130 /nfs/dbraw/zinc/69/71/30/672697130.db2.gz PSGGOVVKNODDMP-KBPBESRZSA-N 0 1 361.467 2.320 10 0 FEAEMN Cc1ccc(C)c(NC(=O)CN[C@@H](C)c2ccc(S(N)(=O)=O)cc2)c1 ZINC000192843509 672703718 /nfs/dbraw/zinc/70/37/18/672703718.db2.gz IQQWSEZUUHBYJF-AWEZNQCLSA-N 0 1 361.467 2.240 10 0 FEAEMN O=C(N[C@H]1CN2CCC1CC2)c1ccn(COc2cccc(Cl)c2)n1 ZINC000222542601 672791798 /nfs/dbraw/zinc/79/17/98/672791798.db2.gz AZNCYDSRDAIFMR-KRWDZBQOSA-N 0 1 360.845 2.397 10 0 FEAEMN CCNS(=O)(=O)c1ccccc1NS(=O)(=O)/C=C\c1ccccc1 ZINC000255101874 672884382 /nfs/dbraw/zinc/88/43/82/672884382.db2.gz RQZAMSNCWCHVFV-SEYXRHQNSA-N 0 1 366.464 2.397 10 0 FEAEMN CCCc1ncc(C(=O)NC2CC([N@H+](CC(=O)[O-])CC3CC3)C2)s1 ZINC000262755775 672920485 /nfs/dbraw/zinc/92/04/85/672920485.db2.gz YYEYGDNKBLMQCC-UHFFFAOYSA-N 0 1 351.472 2.153 10 0 FEAEMN C[C@@H](C(=O)NCc1ccc(F)cc1)[N@H+]1C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C1 ZINC000263093232 672927305 /nfs/dbraw/zinc/92/73/05/672927305.db2.gz YQFSBSNZCXGRIY-ZWKOPEQDSA-N 0 1 362.323 2.025 10 0 FEAEMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)NCc2nc(C(C)C)cs2)C1 ZINC000263182946 672929697 /nfs/dbraw/zinc/92/96/97/672929697.db2.gz FMKFBONNTFAVIX-UHFFFAOYSA-N 0 1 354.476 2.003 10 0 FEAEMN CC[N@@H+](CC(=O)[O-])C1CC(NCc2nc3cc(Cl)ccc3n2C)C1 ZINC000263455704 672933294 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ZINC000159131639 545923815 /nfs/dbraw/zinc/92/38/15/545923815.db2.gz PQGWSXYCDPWZIB-FCEWJHQRSA-N 0 1 370.497 2.431 10 0 FEAEMN CCN1CCC[C@H](NC(=O)C(=O)Nc2ccc(F)cc2C(F)(F)F)C1 ZINC000171256469 546200350 /nfs/dbraw/zinc/20/03/50/546200350.db2.gz NRBYTVNMFWZJPO-NSHDSACASA-N 0 1 361.339 2.384 10 0 FEAEMN CCN1CCC[C@@H]1CN(C)C(=O)N[C@@H]1CCS(=O)(=O)c2ccccc21 ZINC000176179569 546416826 /nfs/dbraw/zinc/41/68/26/546416826.db2.gz SQEMJJUFUVJMCL-GDBMZVCRSA-N 0 1 365.499 2.031 10 0 FEAEMN CN(C[C@@H](c1cccs1)N1CCOCC1)C(=O)c1ccc2[nH]nnc2c1 ZINC000176524820 546456685 /nfs/dbraw/zinc/45/66/85/546456685.db2.gz IAWXSXMJEXHEHJ-INIZCTEOSA-N 0 1 371.466 2.165 10 0 FEAEMN CC(=O)Nc1cccc2c1CCN(C(=O)N[C@H]1C[N@@H+](C(C)C)C[C@H]1C)C2 ZINC000176842932 546495546 /nfs/dbraw/zinc/49/55/46/546495546.db2.gz FISAJXJMAAOWOK-KUHUBIRLSA-N 0 1 358.486 2.441 10 0 FEAEMN CCc1nc([C@H]2CN(C(=O)[C@H](CC)Oc3ccccc3C)CCO2)n[nH]1 ZINC000176948016 546512472 /nfs/dbraw/zinc/51/24/72/546512472.db2.gz SRVRQEOYHULEQI-GOEBONIOSA-N 0 1 358.442 2.433 10 0 FEAEMN C[C@H](NC(=O)CN1C[C@H](N2CCOCC2)[C@@H](C)C1)c1ccc(Cl)cc1 ZINC000177221305 546574005 /nfs/dbraw/zinc/57/40/05/546574005.db2.gz OGDPYFFDYGGTGQ-MPGHIAIKSA-N 0 1 365.905 2.170 10 0 FEAEMN O=C(CN1CC[N@H+]2CCC[C@@H]2C1)Nc1cc2c(cc1Cl)OCCCO2 ZINC000178634321 546824014 /nfs/dbraw/zinc/82/40/14/546824014.db2.gz CFQXFHUVGPQZFF-CYBMUJFWSA-N 0 1 365.861 2.220 10 0 FEAEMN CCc1nc([C@@H]2CN(C(=O)C(=O)Nc3ccccc3C(C)C)CCO2)n[nH]1 ZINC000180233206 547070835 /nfs/dbraw/zinc/07/08/35/547070835.db2.gz UIVLNDMKLHNVCW-HNNXBMFYSA-N 0 1 371.441 2.029 10 0 FEAEMN CCc1nc([C@@H]2CN(C(=O)C(=O)Nc3cccc(C(C)C)c3)CCO2)n[nH]1 ZINC000180237638 547070912 /nfs/dbraw/zinc/07/09/12/547070912.db2.gz WGBSFSFWQXCJAV-HNNXBMFYSA-N 0 1 371.441 2.029 10 0 FEAEMN CCC[C@@H]1CN(C(=O)NC[C@@H]2CN(C)CCO2)CCN1Cc1ccccc1 ZINC000180540558 547126762 /nfs/dbraw/zinc/12/67/62/547126762.db2.gz KMRVDYGNFRBWOB-WOJBJXKFSA-N 0 1 374.529 2.013 10 0 FEAEMN COc1ccc(-n2cc([O-])c(C(=O)N[C@H]3C[N@H+](C(C)C)C[C@H]3C)n2)cc1 ZINC000181184756 547265262 /nfs/dbraw/zinc/26/52/62/547265262.db2.gz MEQLTGYQEIZJJG-CJNGLKHVSA-N 0 1 358.442 2.045 10 0 FEAEMN COC(=O)c1ccc(Cl)c(CN2C[C@H](N3CCOCC3)[C@@H](C)C2)c1 ZINC000181969893 547415038 /nfs/dbraw/zinc/41/50/38/547415038.db2.gz ZAMIUZFQGGUEAP-GUYCJALGSA-N 0 1 352.862 2.279 10 0 FEAEMN COCc1ccsc1C(=O)NC[C@H](O)CN1CCc2ccccc2C1 ZINC000182420893 547490766 /nfs/dbraw/zinc/49/07/66/547490766.db2.gz RCSKUHTUAYWXHW-KRWDZBQOSA-N 0 1 360.479 2.044 10 0 FEAEMN O=C(NCc1ccc(N2CCOC2=O)cc1)N1CCN2CCCC[C@@H]2C1 ZINC000182708324 547537801 /nfs/dbraw/zinc/53/78/01/547537801.db2.gz VYARZZHMSKWHFF-QGZVFWFLSA-N 0 1 358.442 2.023 10 0 FEAEMN Cc1ccc2nc([C@@H]3CCCN3C(=O)NCC(=O)NCC3CC3)[nH]c2c1 ZINC000183787694 547719637 /nfs/dbraw/zinc/71/96/37/547719637.db2.gz NNMZKCZRJOVHEN-INIZCTEOSA-N 0 1 355.442 2.244 10 0 FEAEMN CC[C@H]1CN(C(=O)NCCOc2cccc(Cl)c2)CCN1C[C@@H](C)O ZINC000184879178 547892654 /nfs/dbraw/zinc/89/26/54/547892654.db2.gz GZKKDXDLAIHSSH-ZBFHGGJFSA-N 0 1 369.893 2.205 10 0 FEAEMN Cc1nc([C@@H]2CN(C(=O)c3csc(Br)c3C)CCO2)n[nH]1 ZINC000185552534 548001521 /nfs/dbraw/zinc/00/15/21/548001521.db2.gz JIAQJRWJONJIHI-JTQLQIEISA-N 0 1 371.260 2.459 10 0 FEAEMN Cc1cc(C)n2c(CNCc3n[nH]c(COc4ccccc4)n3)cnc2n1 ZINC000185759430 548031772 /nfs/dbraw/zinc/03/17/72/548031772.db2.gz IQOGZIQMAHOFHV-UHFFFAOYSA-N 0 1 363.425 2.333 10 0 FEAEMN C[C@@H](O)CN1CCN(C(=O)NCc2ccccc2OCC2CC2)C[C@H]1C ZINC000186265587 548109731 /nfs/dbraw/zinc/10/97/31/548109731.db2.gz SFROSYQVGMJZNG-HZPDHXFCSA-N 0 1 361.486 2.072 10 0 FEAEMN Cc1ccc(OCCCC(=O)N2CCC([N@@H+](C)CC(=O)[O-])CC2)cc1C ZINC000186619581 548160177 /nfs/dbraw/zinc/16/01/77/548160177.db2.gz JOMSAQNCGYUYCJ-UHFFFAOYSA-N 0 1 362.470 2.470 10 0 FEAEMN CC[N@@H+](CC(=O)[O-])C1CCN(C(=O)COc2c(C)cc(C)cc2C)CC1 ZINC000186643835 548164082 /nfs/dbraw/zinc/16/40/82/548164082.db2.gz FKJXOVSMTADCBH-UHFFFAOYSA-N 0 1 362.470 2.388 10 0 FEAEMN Cc1cc(C)n(-c2ccc(CN3CCC([N@@H+](C)CC(=O)[O-])CC3)cc2)n1 ZINC000186682699 548174206 /nfs/dbraw/zinc/17/42/06/548174206.db2.gz KZSKNICLTQPFSZ-UHFFFAOYSA-N 0 1 356.470 2.470 10 0 FEAEMN Cc1cc(C)cc(N2CC[C@@H](C(=O)N3CCN4CCCC[C@@H]4C3)C2=O)c1 ZINC000195047763 548568895 /nfs/dbraw/zinc/56/88/95/548568895.db2.gz XMDHEUOIBLNBRI-MJGOQNOKSA-N 0 1 355.482 2.353 10 0 FEAEMN O=C(CCCOc1ccc2c(c1)CCC(=O)N2)N1CCN2CCCC[C@@H]2C1 ZINC000195064621 548571477 /nfs/dbraw/zinc/57/14/77/548571477.db2.gz LNNGKCXTTXVKRB-QGZVFWFLSA-N 0 1 371.481 2.427 10 0 FEAEMN O=C(Cc1ccccc1)N1CCC[C@H](C(=O)N2CCN3CCCC[C@@H]3C2)C1 ZINC000195061613 548571509 /nfs/dbraw/zinc/57/15/09/548571509.db2.gz JJPYXZLRIAOURN-VQTJNVASSA-N 0 1 369.509 2.164 10 0 FEAEMN O=C(c1cccs1)N1CCCC[C@@H]1C(=O)N1CCN2CCCC[C@@H]2C1 ZINC000195067974 548572475 /nfs/dbraw/zinc/57/24/75/548572475.db2.gz QMRNRXNVTKAVSN-HZPDHXFCSA-N 0 1 361.511 2.440 10 0 FEAEMN C[C@@H](C(=O)NCCc1ccc(F)cc1)N1CCC(c2ccnn2C)CC1 ZINC000195503253 548650470 /nfs/dbraw/zinc/65/04/70/548650470.db2.gz ZMHVLHVZOBXQGV-HNNXBMFYSA-N 0 1 358.461 2.486 10 0 FEAEMN CC[C@H]1CN([C@H](C)C(=O)N(CC)Cc2ccccc2)CC[N@H+]1CCOC ZINC000246291139 549099046 /nfs/dbraw/zinc/09/90/46/549099046.db2.gz IJNLKNINJZHFLR-QUCCMNQESA-N 0 1 361.530 2.466 10 0 FEAEMN C[C@@H](C(=O)Nc1ccc(Cl)cc1)N1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC000246484178 549143770 /nfs/dbraw/zinc/14/37/70/549143770.db2.gz OXDDVPPWQQNQQH-JKIFEVAISA-N 0 1 351.878 2.320 10 0 FEAEMN CC(C)N1C[C@H](C)[C@H](NS(=O)(=O)C[C@@]23CC[C@@H](CC2=O)C3(C)C)C1 ZINC000246495115 549146538 /nfs/dbraw/zinc/14/65/38/549146538.db2.gz XNBATGBIIDUNMN-AFIMGQEJSA-N 0 1 356.532 2.030 10 0 FEAEMN C[C@H](O)CN1CCN(C(=O)CCc2cccc(Br)c2)C[C@H]1C ZINC000246696769 549190872 /nfs/dbraw/zinc/19/08/72/549190872.db2.gz JUYALYLEQGHJBA-KGLIPLIRSA-N 0 1 369.303 2.295 10 0 FEAEMN CC[C@@H]1CN(C(=O)CCCOc2ccc(OC)cc2)CCN1C[C@H](C)O ZINC000246703477 549192147 /nfs/dbraw/zinc/19/21/47/549192147.db2.gz CFEUWYPHMPPSNR-DLBZAZTESA-N 0 1 364.486 2.158 10 0 FEAEMN CC[C@H]1CN(C(=O)c2ccc(OC(F)F)c(OC)c2)CCN1C[C@H](C)O ZINC000246742315 549201735 /nfs/dbraw/zinc/20/17/35/549201735.db2.gz GGOUBHXZIDDLMF-JSGCOSHPSA-N 0 1 372.412 2.214 10 0 FEAEMN CC[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2ccc(F)c(F)c2)CCN1C[C@@H](C)O ZINC000246781251 549210313 /nfs/dbraw/zinc/21/03/13/549210313.db2.gz IWTRNNMKUSSNND-DMRZNYOFSA-N 0 1 352.425 2.372 10 0 FEAEMN CC[C@H]1CN(C(=O)Cc2ccccc2Br)CCN1C[C@H](C)O ZINC000246793956 549214537 /nfs/dbraw/zinc/21/45/37/549214537.db2.gz JPMTYPBCWYTZFJ-ZFWWWQNUSA-N 0 1 369.303 2.295 10 0 FEAEMN Cc1nc([C@H]2CN([C@H](C)c3nc4sc(C)c(C)c4c(N)n3)CCO2)n[nH]1 ZINC000246810872 549217797 /nfs/dbraw/zinc/21/77/97/549217797.db2.gz BSEUWWBEDBXSEE-BXKDBHETSA-N 0 1 373.486 2.451 10 0 FEAEMN Cc1ccc(-c2cnc(CCC(=O)N3CCN(C[C@H](C)O)[C@@H](C)C3)o2)cc1 ZINC000246812544 549219088 /nfs/dbraw/zinc/21/90/88/549219088.db2.gz SBZSHCQSRVPRIQ-IRXDYDNUSA-N 0 1 371.481 2.496 10 0 FEAEMN C[C@H](O)C[N@H+]1CCN(C(=O)CCCOc2ccc(Cl)cc2)C[C@H]1C ZINC000246869522 549232837 /nfs/dbraw/zinc/23/28/37/549232837.db2.gz VYZRFLZMKAFOHO-CABCVRRESA-N 0 1 354.878 2.413 10 0 FEAEMN C[C@H](O)CN1CCN(C(=O)CCCOc2ccc(Cl)cc2)C[C@H]1C ZINC000246869522 549232841 /nfs/dbraw/zinc/23/28/41/549232841.db2.gz VYZRFLZMKAFOHO-CABCVRRESA-N 0 1 354.878 2.413 10 0 FEAEMN CC(C)Cc1ccc([C@H](C)N[C@@H](C)C(=O)N[C@H]2CCS(=O)(=O)C2)cc1 ZINC000246876236 549232927 /nfs/dbraw/zinc/23/29/27/549232927.db2.gz FPIAZTIXWNFSHY-MPGHIAIKSA-N 0 1 366.527 2.228 10 0 FEAEMN CC[C@H]1CN(C(=O)CCCc2nc3ccccc3[nH]2)CCN1C[C@H](C)O ZINC000246891566 549236476 /nfs/dbraw/zinc/23/64/76/549236476.db2.gz PDKRYYWHOIQMBV-HOTGVXAUSA-N 0 1 358.486 2.189 10 0 FEAEMN Cc1nc([C@H]2CN([C@H](C)C(=O)N(Cc3ccccc3)C(C)C)CCO2)n[nH]1 ZINC000247246012 549305752 /nfs/dbraw/zinc/30/57/52/549305752.db2.gz YJRJYYHVKKFFMW-CRAIPNDOSA-N 0 1 371.485 2.312 10 0 FEAEMN CCC[C@H](NC(=O)[C@H](C)N1CCN(C[C@H](C)O)[C@@H](C)C1)c1ccccc1 ZINC000247588904 549363911 /nfs/dbraw/zinc/36/39/11/549363911.db2.gz JKBDNVJFTTWCLU-JPLJXNOCSA-N 0 1 361.530 2.419 10 0 FEAEMN COc1ccc(NC(=O)[C@H](C)N2CCC[C@@H](Cn3cncn3)C2)c(OC)c1 ZINC000247601483 549366478 /nfs/dbraw/zinc/36/64/78/549366478.db2.gz LBAOIZGZUULMJB-LSDHHAIUSA-N 0 1 373.457 2.035 10 0 FEAEMN CC[C@@H]1CN(CC(=O)N[C@H](c2ccccc2)C2CC2)CCN1C[C@@H](C)O ZINC000247811178 549383320 /nfs/dbraw/zinc/38/33/20/549383320.db2.gz UZEIFRVBMSFPCE-OZOXKJRCSA-N 0 1 359.514 2.031 10 0 FEAEMN Cc1cc(Cl)ccc1NC(=O)[C@H](C)N1CCN(C[C@H](C)O)[C@H](C)C1 ZINC000247877093 549389003 /nfs/dbraw/zinc/38/90/03/549389003.db2.gz YUVRSDNFSXKGGT-ILXRZTDVSA-N 0 1 353.894 2.362 10 0 FEAEMN CCOCCN1CC[N@@H+](C[C@@H](O)COc2c(C)cccc2C)C[C@@H]1CC ZINC000247881540 549389855 /nfs/dbraw/zinc/38/98/55/549389855.db2.gz ZIRICMFGFNXNFR-VQTJNVASSA-N 0 1 364.530 2.476 10 0 FEAEMN CC(=O)N[C@H]1CCCN(C[C@@H](O)COc2ccccc2C(F)(F)F)C1 ZINC000248375164 549423756 /nfs/dbraw/zinc/42/37/56/549423756.db2.gz VWRKYAMJKUDRCS-UONOGXRCSA-N 0 1 360.376 2.046 10 0 FEAEMN CC[C@@H]1CN(C(=O)NC[C@@H]2CCCO[C@H]2C(C)(C)C)CCN1C[C@H](C)O ZINC000248453657 549441728 /nfs/dbraw/zinc/44/17/28/549441728.db2.gz GYIIMVOLXFPDQR-WNRNVDISSA-N 0 1 369.550 2.314 10 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ZINC000262692060 549839333 /nfs/dbraw/zinc/83/93/33/549839333.db2.gz DZWVBQFXGJJGIZ-UHFFFAOYSA-N 0 1 370.453 2.156 10 0 FEAEMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)c2cc(Br)ccc2C)C1 ZINC000262697587 549840338 /nfs/dbraw/zinc/84/03/38/549840338.db2.gz GUBSTGSTQCUHTL-UHFFFAOYSA-N 0 1 369.259 2.425 10 0 FEAEMN C[C@H](Cc1ccccc1F)C(=O)NC1CC([N@H+](CC(=O)[O-])CC2CC2)C1 ZINC000262695904 549840401 /nfs/dbraw/zinc/84/04/01/549840401.db2.gz GEELQEIFIWZSSL-NVPAJSRCSA-N 0 1 362.445 2.448 10 0 FEAEMN CCc1nc(C)c(C(=O)NC2CC([N@H+](CC(=O)[O-])CC3CC3)C2)s1 ZINC000262720667 549842816 /nfs/dbraw/zinc/84/28/16/549842816.db2.gz PPKKPLNMHNILNX-UHFFFAOYSA-N 0 1 351.472 2.071 10 0 FEAEMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)[C@H]2C[C@@H]2c2c(F)cccc2F)C1 ZINC000262715408 549842901 /nfs/dbraw/zinc/84/29/01/549842901.db2.gz NGCQARFFKBPFRW-TYUFSLCMSA-N 0 1 352.381 2.122 10 0 FEAEMN Cc1cnn(-c2ccc(C(=O)N3CCC[C@H]([N@@H+](C)CC(=O)[O-])CC3)cc2)c1 ZINC000262882684 549858865 /nfs/dbraw/zinc/85/88/65/549858865.db2.gz FRSUDVZIGTZDMQ-KRWDZBQOSA-N 0 1 370.453 2.192 10 0 FEAEMN C[N@@H+](CC(=O)[O-])[C@H]1CCCN(C(=O)[C@@H]2Cc3cc(Cl)ccc3O2)CC1 ZINC000262887993 549859197 /nfs/dbraw/zinc/85/91/97/549859197.db2.gz GLKUSUKYUVLROL-HOCLYGCPSA-N 0 1 366.845 2.041 10 0 FEAEMN CCCc1ccc(S(=O)(=O)N2CCC[C@H]([N@@H+](C)CC(=O)[O-])CC2)cc1 ZINC000262890080 549859608 /nfs/dbraw/zinc/85/96/08/549859608.db2.gz ADTYVSJFQTUAKV-INIZCTEOSA-N 0 1 368.499 2.199 10 0 FEAEMN CC[N@@H+](CC(=O)[O-])C1CCN(C(=O)[C@H]2C[C@@H]2c2cc(F)ccc2F)CC1 ZINC000262904336 549861090 /nfs/dbraw/zinc/86/10/90/549861090.db2.gz IQOPGMZGLZPKSQ-ZBFHGGJFSA-N 0 1 366.408 2.466 10 0 FEAEMN C[C@H](C(=O)[O-])N(C)C(=O)[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1 ZINC000262929479 549863128 /nfs/dbraw/zinc/86/31/28/549863128.db2.gz XIDIAKNWGLMONV-WBMJQRKESA-N 0 1 358.360 2.373 10 0 FEAEMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)Nc2ccccc2OCCF)C1 ZINC000262971055 549866714 /nfs/dbraw/zinc/86/67/14/549866714.db2.gz AMHWVDBZVVGNMI-UHFFFAOYSA-N 0 1 353.394 2.094 10 0 FEAEMN CCN(C(=O)C[N@H+]1C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C1)C1CCCCC1 ZINC000262969259 549866766 /nfs/dbraw/zinc/86/67/66/549866766.db2.gz LRGSPSIVSITBCS-CHWSQXEVSA-N 0 1 350.381 2.363 10 0 FEAEMN O=C([O-])[C@@H]1C[N@@H+](CC(=O)N(Cc2ccccc2)C2CC2)C[C@H]1C(F)(F)F ZINC000262973828 549867006 /nfs/dbraw/zinc/86/70/06/549867006.db2.gz MBXGAMLKOCTDMP-HUUCEWRRSA-N 0 1 370.371 2.373 10 0 FEAEMN CCc1csc(NC(=O)NC2CC([N@H+](CC(=O)[O-])CC3CC3)C2)n1 ZINC000262997374 549870069 /nfs/dbraw/zinc/87/00/69/549870069.db2.gz FOKPGFUDLXIYHS-UHFFFAOYSA-N 0 1 352.460 2.155 10 0 FEAEMN CC[N@@H+](CC(=O)[O-])C1CCN(Cc2nc(-c3cccs3)no2)CC1 ZINC000263000642 549870156 /nfs/dbraw/zinc/87/01/56/549870156.db2.gz XAGDJKGMTXHCLL-UHFFFAOYSA-N 0 1 350.444 2.169 10 0 FEAEMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)N[C@H](C)c2ccc(F)cc2F)C1 ZINC000263013480 549871224 /nfs/dbraw/zinc/87/12/24/549871224.db2.gz NWIDSCKAHYAOFZ-QFWMXSHPSA-N 0 1 355.385 2.263 10 0 FEAEMN COc1ccc(NC(=O)[C@@H](C)[N@@H+]2C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C2)cc1 ZINC000263069023 549875415 /nfs/dbraw/zinc/87/54/15/549875415.db2.gz WFJYVOOJGPWXKD-OASPWFOLSA-N 0 1 360.332 2.217 10 0 FEAEMN COc1ccc(NC(=O)[C@@H](C)[N@H+]2C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C2)cc1 ZINC000263069023 549875416 /nfs/dbraw/zinc/87/54/16/549875416.db2.gz WFJYVOOJGPWXKD-OASPWFOLSA-N 0 1 360.332 2.217 10 0 FEAEMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)N[C@@H](C)Cc2cc(C)cc(C)c2)C1 ZINC000263212836 549885965 /nfs/dbraw/zinc/88/59/65/549885965.db2.gz JBNXOEKEZTWMHF-ZLPCBKJTSA-N 0 1 361.486 2.471 10 0 FEAEMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)N2CCC[C@@H]2Cc2ccccc2)C1 ZINC000263462158 549902849 /nfs/dbraw/zinc/90/28/49/549902849.db2.gz JATGNFQWBFPMNM-LXPRWKDFSA-N 0 1 359.470 2.341 10 0 FEAEMN O=C([O-])C[N@@H+](CC1CC1)C1CC(NCc2c[nH]c(-c3ccccc3)n2)C1 ZINC000263466722 549903501 /nfs/dbraw/zinc/90/35/01/549903501.db2.gz CUFPCECEENZQIQ-UHFFFAOYSA-N 0 1 354.454 2.494 10 0 FEAEMN CCOc1cc(NC(=O)NC2CC([N@@H+](CC)CC(=O)[O-])C2)ccc1OC ZINC000263496954 549905151 /nfs/dbraw/zinc/90/51/51/549905151.db2.gz RFJZUHAZWYCPBI-UHFFFAOYSA-N 0 1 365.430 2.153 10 0 FEAEMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)N(C)[C@H]2C[C@@H](OC)C2(CC)CC)C1 ZINC000263508033 549906501 /nfs/dbraw/zinc/90/65/01/549906501.db2.gz XVDRVDFPHSYDPV-SSHXOBKSSA-N 0 1 369.506 2.159 10 0 FEAEMN CC(C)Cn1ncnc1CN(C)C[C@@H]1CCCN(C)[C@H]1c1ccnn1C ZINC000286664522 551912247 /nfs/dbraw/zinc/91/22/47/551912247.db2.gz GBICDFMAVYOZNE-QFBILLFUSA-N 0 1 359.522 2.183 10 0 FEAEMN CC1CCN(C(=O)c2ccc(NC[C@H](c3cnn(C)c3)N(C)C)nc2)CC1 ZINC000301260375 553637025 /nfs/dbraw/zinc/63/70/25/553637025.db2.gz CWSUGHRJVRLZMW-GOSISDBHSA-N 0 1 370.501 2.402 10 0 FEAEMN CO[C@@H]1COCC[C@H]1CC(=O)N1CC[C@H](n2c(C)nc3c2CCCC3)C1 ZINC000428191826 559771128 /nfs/dbraw/zinc/77/11/28/559771128.db2.gz GWBPFYSTEYDTCB-TXPKVOOTSA-N 0 1 361.486 2.285 10 0 FEAEMN CO[C@]1(C)C[C@@H]([N@@H+](C)Cc2cc(=O)n3[n-]c(C(F)(F)F)nc3n2)C1(C)C ZINC000102152508 570828083 /nfs/dbraw/zinc/82/80/83/570828083.db2.gz ZEBXXVAGVWDLKQ-MEBBXXQBSA-N 0 1 373.379 2.072 10 0 FEAEMN CO[C@]1(C)C[C@@H]([N@H+](C)Cc2cc(=O)n3nc(C(F)(F)F)[n-]c3n2)C1(C)C ZINC000102152508 570828085 /nfs/dbraw/zinc/82/80/85/570828085.db2.gz ZEBXXVAGVWDLKQ-MEBBXXQBSA-N 0 1 373.379 2.072 10 0 FEAEMN CO[C@]1(C)C[C@@H]([N@@H+](C)Cc2cc(=O)n3nc(C(F)(F)F)[n-]c3n2)C1(C)C ZINC000102152508 570828086 /nfs/dbraw/zinc/82/80/86/570828086.db2.gz ZEBXXVAGVWDLKQ-MEBBXXQBSA-N 0 1 373.379 2.072 10 0 FEAEMN COCCN1CCN(Cn2nc(-c3ccoc3C)n(C)c2=S)C[C@H]1C ZINC000117321631 670914103 /nfs/dbraw/zinc/91/41/03/670914103.db2.gz WACHROUEBYSKBK-CYBMUJFWSA-N 0 1 365.503 2.130 10 0 FEAEMN CC(C)[C@@H]1CN(C)CCN1C(=O)[C@@H]1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000174232940 672359119 /nfs/dbraw/zinc/35/91/19/672359119.db2.gz UHTJQJOXIOVQLI-PMPSAXMXSA-N 0 1 353.507 2.478 10 0 FEAEMN CCN1CCC[C@H]1CN(C)S(=O)(=O)c1cc(C(=O)OC)ccc1Cl ZINC000175393199 672368071 /nfs/dbraw/zinc/36/80/71/672368071.db2.gz ZBXRQPKJDUMBPV-ZDUSSCGKSA-N 0 1 374.890 2.231 10 0 FEAEMN Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)N[C@H]1CN(C(C)C)C[C@@H]1C ZINC000182981020 672457970 /nfs/dbraw/zinc/45/79/70/672457970.db2.gz XBDNUFUBYHUFOR-AAEUAGOBSA-N 0 1 359.423 2.049 10 0 FEAEMN CNC(=O)[C@H](NCC(=O)Nc1ccc(OC(F)F)c(Cl)c1)C(C)C ZINC000183654217 672475738 /nfs/dbraw/zinc/47/57/38/672475738.db2.gz LLPFDDROPDJURI-CYBMUJFWSA-N 0 1 363.792 2.240 10 0 FEAEMN C[C@H](NCC(=O)NC1CCCCCCC1)c1ccc(S(N)(=O)=O)cc1 ZINC000192843566 672703753 /nfs/dbraw/zinc/70/37/53/672703753.db2.gz XWZFJTGVZBSHEN-AWEZNQCLSA-N 0 1 367.515 2.214 10 0 FEAEMN CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]1C(=O)N1CCN2CCCC[C@H]2C1 ZINC000246170840 672831921 /nfs/dbraw/zinc/83/19/21/672831921.db2.gz JAXSIIZFIBYXPP-ARFHVFGLSA-N 0 1 351.491 2.377 10 0 FEAEMN CC(C)[C@@H]1CN(C)CCN1C(=O)[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000247479137 672850376 /nfs/dbraw/zinc/85/03/76/672850376.db2.gz UHTJQJOXIOVQLI-XHSDSOJGSA-N 0 1 353.507 2.478 10 0 FEAEMN C[C@@H](C(=O)N1C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C1)[N@@H+](C)Cc1ccccc1 ZINC000262644656 672918604 /nfs/dbraw/zinc/91/86/04/672918604.db2.gz ITOYBZZANQQHGK-IACUBPJLSA-N 0 1 358.360 2.228 10 0 FEAEMN Cc1ccc(S(=O)(=O)N2CCC[C@@H]([N@@H+](C)CC(=O)[O-])CC2)c(Cl)c1 ZINC000262977388 672924915 /nfs/dbraw/zinc/92/49/15/672924915.db2.gz MNSIJMRFTXZKGU-CYBMUJFWSA-N 0 1 374.890 2.208 10 0 FEAEMN CO[C@@H]1CC[N@H+]([C@@H]2CCC[C@@H]2N(C)C(=O)c2cc(C(=O)[O-])oc2C)C1 ZINC000910691951 685101022 /nfs/dbraw/zinc/10/10/22/685101022.db2.gz GKTSHOFTWDETIG-VHDGCEQUSA-N 0 1 350.415 2.000 10 0 FEAEMN Cc1noc(C[C@@]2(O)CCCN(CCOc3cccc(Cl)c3)C2)n1 ZINC000888076788 688544653 /nfs/dbraw/zinc/54/46/53/688544653.db2.gz DPWQVOKBGFWOJH-KRWDZBQOSA-N 0 1 351.834 2.480 10 0 FEAEMN Cn1ccnc(N2CCC[C@@H](NCc3cnc(C4CCC4)s3)C2)c1=O ZINC000328648901 210125904 /nfs/dbraw/zinc/12/59/04/210125904.db2.gz UUGJKAOAMWCLIO-CQSZACIVSA-N 0 1 359.499 2.263 10 0 FEAEMN CCn1c(=O)ccc2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc21 ZINC000013835421 539592148 /nfs/dbraw/zinc/59/21/48/539592148.db2.gz BUNLBUQVVVGGJD-UHFFFAOYSA-N 0 1 364.453 2.307 10 0 FEAEMN O=C(c1[nH]nc2ccc(-c3c[nH]nc3-c3ccccn3)cc21)N1CCOCC1 ZINC000038934518 540001614 /nfs/dbraw/zinc/00/16/14/540001614.db2.gz IIVJQOJFWOXTLG-UHFFFAOYSA-N 0 1 374.404 2.487 10 0 FEAEMN COc1cc([C@@H]([NH3+])CCO)c(Br)c(Br)c1[O-] ZINC000044232698 540120363 /nfs/dbraw/zinc/12/03/63/540120363.db2.gz JDYBVQGHRCJUNL-LURJTMIESA-N 0 1 355.026 2.308 10 0 FEAEMN Cc1ccc([C@@H](C)NC(=O)NCc2cccnc2N2CCN(C)CC2)o1 ZINC000066891764 541386311 /nfs/dbraw/zinc/38/63/11/541386311.db2.gz VHAQKAOGTAQIDK-OAHLLOKOSA-N 0 1 357.458 2.295 10 0 FEAEMN CN(CC(=O)N[C@H]1CCC[C@H](C(F)(F)F)C1)c1ncnc2[nH]cnc21 ZINC000073505166 541960278 /nfs/dbraw/zinc/96/02/78/541960278.db2.gz BYAWCVRLNKYLJX-UWVGGRQHSA-N 0 1 356.352 2.026 10 0 FEAEMN CCN(CC)c1nc(C(=O)N2CCCN(C)CC2)nc2nc(C)cc(C)c21 ZINC000075531529 542185339 /nfs/dbraw/zinc/18/53/39/542185339.db2.gz IYVQMJGXEDJEAB-UHFFFAOYSA-N 0 1 370.501 2.266 10 0 FEAEMN Cc1c(NC(=O)N2CCN3CCCC[C@H]3C2)c(=O)n(-c2ccccc2)n1C ZINC000104968621 543153152 /nfs/dbraw/zinc/15/31/52/543153152.db2.gz KZFCIMYRETXJSY-KRWDZBQOSA-N 0 1 369.469 2.186 10 0 FEAEMN Cc1ccc(NC(=O)N2CC[N@H+]3CCCC[C@H]3C2)c(OCC(=O)N(C)C)c1 ZINC000105018015 543155044 /nfs/dbraw/zinc/15/50/44/543155044.db2.gz IPYOGGTUKCHTFR-INIZCTEOSA-N 0 1 374.485 2.164 10 0 FEAEMN Cc1ccc(NC(=O)N2CCN3CCCC[C@H]3C2)c(OCC(=O)N(C)C)c1 ZINC000105018015 543155045 /nfs/dbraw/zinc/15/50/45/543155045.db2.gz IPYOGGTUKCHTFR-INIZCTEOSA-N 0 1 374.485 2.164 10 0 FEAEMN COc1ccc(COCCCNC(=O)N2CC[N@H+]3CCCC[C@H]3C2)cc1 ZINC000105235894 543166322 /nfs/dbraw/zinc/16/63/22/543166322.db2.gz HWJDADDEXBWLEH-SFHVURJKSA-N 0 1 361.486 2.482 10 0 FEAEMN COc1ccc(COCCCNC(=O)N2CCN3CCCC[C@H]3C2)cc1 ZINC000105235894 543166325 /nfs/dbraw/zinc/16/63/25/543166325.db2.gz HWJDADDEXBWLEH-SFHVURJKSA-N 0 1 361.486 2.482 10 0 FEAEMN CC(C)n1nccc1NC(=O)[C@@H](C)N(C)[C@@H]1CCCN(c2cccnn2)C1 ZINC000106077128 543190474 /nfs/dbraw/zinc/19/04/74/543190474.db2.gz SXGDSSIBYGMVCP-HZPDHXFCSA-N 0 1 371.489 2.182 10 0 FEAEMN CCOCCN1CCN([C@@H](C)C(=O)Nc2cccnc2Cl)C[C@@H]1CC ZINC000106117889 543202475 /nfs/dbraw/zinc/20/24/75/543202475.db2.gz CVHIUONDTGBDHI-GJZGRUSLSA-N 0 1 368.909 2.495 10 0 FEAEMN COc1ccc(C)cc1NC(=O)[C@@H](C)N1CCC[C@H](Cn2cncn2)C1 ZINC000106174426 543212781 /nfs/dbraw/zinc/21/27/81/543212781.db2.gz ZKJFMWLXCSDXHP-CVEARBPZSA-N 0 1 357.458 2.334 10 0 FEAEMN COc1ccc(NC(=O)CN2CCC[C@H](Cn3cncn3)C2)cc1Cl ZINC000106175946 543213965 /nfs/dbraw/zinc/21/39/65/543213965.db2.gz GKDQPQRVFNZGAT-ZDUSSCGKSA-N 0 1 363.849 2.291 10 0 FEAEMN Cc1nc(C)n(C[C@H]2CCCN(Cc3cc(=O)n4cccc(C)c4n3)C2)n1 ZINC000106182046 543214751 /nfs/dbraw/zinc/21/47/51/543214751.db2.gz OFSLDHHMKPGFNY-KRWDZBQOSA-N 0 1 366.469 2.123 10 0 FEAEMN CN(C)C(=O)c1ccc(CNC(=O)[C@@H](Cc2ccccc2)N(C)C)cc1 ZINC000106903492 543254287 /nfs/dbraw/zinc/25/42/87/543254287.db2.gz RKGNXNAEUWUQHU-LJQANCHMSA-N 0 1 353.466 2.178 10 0 FEAEMN CN(C)[C@H](Cc1ccccc1)C(=O)NCCN1CCc2sccc2C1 ZINC000106910468 543255131 /nfs/dbraw/zinc/25/51/31/543255131.db2.gz MBKAXJDYVJWTHC-GOSISDBHSA-N 0 1 357.523 2.395 10 0 FEAEMN CN(C)[C@@H](Cc1ccccc1)C(=O)N1CCCN(Cc2cscn2)CC1 ZINC000106916395 543255464 /nfs/dbraw/zinc/25/54/64/543255464.db2.gz SZRUKBMEYLEUDA-IBGZPJMESA-N 0 1 372.538 2.350 10 0 FEAEMN CC(C)c1nnc(CN2CCN(CC[N@@H+](C)Cc3ccccc3)CC2)n1C ZINC000108865354 543306259 /nfs/dbraw/zinc/30/62/59/543306259.db2.gz PTAPIUBWIGRCFC-UHFFFAOYSA-N 0 1 370.545 2.188 10 0 FEAEMN Cc1cnn(C[C@@H]2CN(C(=O)[C@@H]3CCCN3Cc3ccccc3)CCO2)c1 ZINC000112064398 543429219 /nfs/dbraw/zinc/42/92/19/543429219.db2.gz SERPZTYPADIAOR-PMACEKPBSA-N 0 1 368.481 2.084 10 0 FEAEMN COc1ccc(N)c(N2CC[N@@H+](Cc3ccccc3)C[C@@H]2CC(=O)[O-])c1 ZINC000114408455 543514056 /nfs/dbraw/zinc/51/40/56/543514056.db2.gz PAJDPALWICCDRK-INIZCTEOSA-N 0 1 355.438 2.443 10 0 FEAEMN CC(C)(C)C(=O)NC[C@@H]1CCC[N@@H+](C[C@@H](O)COCc2ccccc2)C1 ZINC000114563090 543523751 /nfs/dbraw/zinc/52/37/51/543523751.db2.gz MCIVCHVIXROLSL-RBUKOAKNSA-N 0 1 362.514 2.438 10 0 FEAEMN Cc1nc(C)n(C[C@@H]2CCCN(CC(=O)N(C)Cc3ccc(F)cc3)C2)n1 ZINC000114720316 543532086 /nfs/dbraw/zinc/53/20/86/543532086.db2.gz GFUBPXOJHYNXCF-GOSISDBHSA-N 0 1 373.476 2.405 10 0 FEAEMN CC[C@@H]1CN(C(=O)NCCCn2cnc3ccccc32)CCN1CCOC ZINC000117471754 543632408 /nfs/dbraw/zinc/63/24/08/543632408.db2.gz HKZZQWWFCDANEO-QGZVFWFLSA-N 0 1 373.501 2.179 10 0 FEAEMN CN(C)C[C@H](NC(=O)C(=O)Nc1cc(F)c(F)c(F)c1)c1ccccc1 ZINC000121324267 543692852 /nfs/dbraw/zinc/69/28/52/543692852.db2.gz DFHFAVDCSFEKDY-HNNXBMFYSA-N 0 1 365.355 2.462 10 0 FEAEMN CCn1nnnc1-c1cccc(NC(=O)N[C@H]2C[N@H+](C(C)C)C[C@@H]2C)c1 ZINC000124456005 543822685 /nfs/dbraw/zinc/82/26/85/543822685.db2.gz VHSJUFYDYMJSCN-BBRMVZONSA-N 0 1 357.462 2.210 10 0 FEAEMN O=C(Cn1c(=O)c2ccccc2[nH]c1=S)N1CCCC[C@H]1c1cn[nH]c1 ZINC000127384876 543989733 /nfs/dbraw/zinc/98/97/33/543989733.db2.gz IPFLQCCLLXRBSB-HNNXBMFYSA-N 0 1 369.450 2.162 10 0 FEAEMN CCc1nc([C@H]2CN(Cc3cc(OC)cc4c3O[C@H](C)C4)CCO2)n[nH]1 ZINC000129084174 544090153 /nfs/dbraw/zinc/09/01/53/544090153.db2.gz BCYIWKKWJAJJQE-MLGOLLRUSA-N 0 1 358.442 2.273 10 0 FEAEMN O=C(NCc1cccnc1OCC(F)F)N1CCN2CCCC[C@H]2C1 ZINC000132446873 544231391 /nfs/dbraw/zinc/23/13/91/544231391.db2.gz DVBXSHPPXKKMTG-AWEZNQCLSA-N 0 1 354.401 2.105 10 0 FEAEMN CCN1CCC[C@@H]1CN(C)C(=O)Nc1ccc(C)c(S(C)(=O)=O)c1 ZINC000133087473 544255325 /nfs/dbraw/zinc/25/53/25/544255325.db2.gz GOAIYLJQCXAGEN-OAHLLOKOSA-N 0 1 353.488 2.347 10 0 FEAEMN CC(C)(C)n1cc(CN2CCN(C(=O)[C@H]3CCCc4[nH]ncc43)CC2)cn1 ZINC000134354091 544304687 /nfs/dbraw/zinc/30/46/87/544304687.db2.gz LCDOWIRPOWQIBP-INIZCTEOSA-N 0 1 370.501 2.126 10 0 FEAEMN Cc1nn(C)c(C)c1CN1CCN(CCC(=O)N(C)c2ccccc2)CC1 ZINC000135052500 544332558 /nfs/dbraw/zinc/33/25/58/544332558.db2.gz JMLOGAKMEDNLBB-UHFFFAOYSA-N 0 1 369.513 2.208 10 0 FEAEMN CS(=O)(=O)Cc1ccc(NC(=O)N2CCN3CCCC[C@H]3C2)cc1F ZINC000150893813 544482861 /nfs/dbraw/zinc/48/28/61/544482861.db2.gz GTVYDKIJYMJWHZ-HNNXBMFYSA-N 0 1 369.462 2.072 10 0 FEAEMN CC(C)c1ccc([C@@H]2C[C@@H]2C(=O)N2CCN(C(=O)CN(C)C)CC2)cc1 ZINC000151109377 544505628 /nfs/dbraw/zinc/50/56/28/544505628.db2.gz NMMFZOLNPBGNRC-OALUTQOASA-N 0 1 357.498 2.146 10 0 FEAEMN CCN(CC)[C@@H](C)CNC(=O)[C@@H](C)CS(=O)(=O)c1ccc(F)cc1 ZINC000153026025 544724178 /nfs/dbraw/zinc/72/41/78/544724178.db2.gz NJHIGAODVWGFJW-KBPBESRZSA-N 0 1 358.479 2.082 10 0 FEAEMN C[C@@H](O)CN1CCN(C(=O)Cc2cc(Br)ccc2F)C[C@H]1C ZINC000152835362 544701431 /nfs/dbraw/zinc/70/14/31/544701431.db2.gz GEZGAKQNMKYZHK-VXGBXAGGSA-N 0 1 373.266 2.044 10 0 FEAEMN Cc1c([C@H](C)N[C@@H]2CCc3ncnn3C2)nnn1-c1cccc(Cl)c1 ZINC000180596789 327692898 /nfs/dbraw/zinc/69/28/98/327692898.db2.gz RVXCVJUHKFZIDR-SMDDNHRTSA-N 0 1 357.849 2.486 10 0 FEAEMN Cc1cccc(CNC(=O)CN[C@H](C)c2ccc(S(C)(=O)=O)cc2)c1 ZINC000182193124 327764858 /nfs/dbraw/zinc/76/48/58/327764858.db2.gz VOQXDVJDTQTPOC-OAHLLOKOSA-N 0 1 360.479 2.366 10 0 FEAEMN CCc1nc([C@@H]2CN(C(=O)NC[C@H](C)c3ncc(C)s3)CCO2)n[nH]1 ZINC000187068558 328000543 /nfs/dbraw/zinc/00/05/43/328000543.db2.gz FXHVPPTYFXIVSK-JQWIXIFHSA-N 0 1 364.475 2.019 10 0 FEAEMN COCc1cccc(CNC(=O)CN2C[C@@H](c3ccsc3)[C@H](CO)C2)c1 ZINC000188142222 328069156 /nfs/dbraw/zinc/06/91/56/328069156.db2.gz ZTHXBDIZUQILFY-OALUTQOASA-N 0 1 374.506 2.219 10 0 FEAEMN CCOc1c(Cl)cccc1CC(=O)N1CCO[C@@H](c2n[nH]c(C)n2)C1 ZINC000188398736 328084583 /nfs/dbraw/zinc/08/45/83/328084583.db2.gz DQSRUVGYCOKVNC-CQSZACIVSA-N 0 1 364.833 2.308 10 0 FEAEMN CC[C@@H](C)NC(=O)CN1CCC(N(CC)CC(=O)OC(C)(C)C)CC1 ZINC000190360383 328202813 /nfs/dbraw/zinc/20/28/13/328202813.db2.gz DSNWWEBSNUSODC-OAHLLOKOSA-N 0 1 355.523 2.029 10 0 FEAEMN CC(=O)NC1CN(C(=O)c2cccc(CN(C)Cc3ccccc3)c2)C1 ZINC000190496546 328211790 /nfs/dbraw/zinc/21/17/90/328211790.db2.gz RYLQTGVWCRUENL-UHFFFAOYSA-N 0 1 351.450 2.279 10 0 FEAEMN CCC(CC)NC(=O)[C@@H](C)N1CCC(N(C)CC(=O)OC(C)(C)C)CC1 ZINC000191979507 328291515 /nfs/dbraw/zinc/29/15/15/328291515.db2.gz UXFYIUMKUNOLDN-OAHLLOKOSA-N 0 1 369.550 2.418 10 0 FEAEMN CC1(C)Cc2cccc(S(=O)(=O)N3CCCC[C@H]3c3nnc[nH]3)c2O1 ZINC000192647510 328330614 /nfs/dbraw/zinc/33/06/14/328330614.db2.gz CVBWVDKJHUOXLV-ZDUSSCGKSA-N 0 1 362.455 2.434 10 0 FEAEMN COC(=O)[C@@H](CNC(=O)[C@H](Cc1ccccc1)N(C)C)c1ccc(F)cc1 ZINC000192680929 328332657 /nfs/dbraw/zinc/33/26/57/328332657.db2.gz BBCHDXMLKBWMER-OALUTQOASA-N 0 1 372.440 2.371 10 0 FEAEMN C[C@H]1CN2CCC[C@@H]2CN1S(=O)(=O)c1c(F)c(F)cc(F)c1F ZINC000192918217 328346782 /nfs/dbraw/zinc/34/67/82/328346782.db2.gz WFIPEFVBBDBHED-DTWKUNHWSA-N 0 1 352.353 2.100 10 0 FEAEMN C[C@@H]1CN(C2CCN(C(=O)NCCO[C@@H]3CCCC[C@H]3C)CC2)CCO1 ZINC000079614445 325099645 /nfs/dbraw/zinc/09/96/45/325099645.db2.gz JPVAIKXJVXFQJP-ZHALLVOQSA-N 0 1 367.534 2.476 10 0 FEAEMN Cc1nc2n(n1)CCC[C@@H]2NC(=O)NC[C@H](c1ccc(F)cc1)N(C)C ZINC000083712428 325222848 /nfs/dbraw/zinc/22/28/48/325222848.db2.gz VJQFCOLYIRTHRK-JKSUJKDBSA-N 0 1 360.437 2.163 10 0 FEAEMN C[C@@H](C(=O)NCCc1ccc(F)cc1)N1CCC(Cn2cccn2)CC1 ZINC000106185448 325589893 /nfs/dbraw/zinc/58/98/93/325589893.db2.gz ICDLCUDTCNSRBV-INIZCTEOSA-N 0 1 358.461 2.482 10 0 FEAEMN CC(C)c1nc2n(n1)C[C@H](N[C@@H](C(=O)NC1CC1)c1ccccc1)CC2 ZINC000112551817 325790567 /nfs/dbraw/zinc/79/05/67/325790567.db2.gz CQSNPSYLFHAFPL-SJLPKXTDSA-N 0 1 353.470 2.326 10 0 FEAEMN CN(CCCOc1ccccc1)C(=O)CN1CC[C@H](c2cnn(C)c2)C1 ZINC000116319163 326006564 /nfs/dbraw/zinc/00/65/64/326006564.db2.gz RWGGYKNRIBQMLH-KRWDZBQOSA-N 0 1 356.470 2.137 10 0 FEAEMN CC[C@H]1CN(C(=O)Nc2ccccc2-n2cccn2)CCN1CCOC ZINC000117443879 326061807 /nfs/dbraw/zinc/06/18/07/326061807.db2.gz HNWRKJVHBDUFAU-INIZCTEOSA-N 0 1 357.458 2.447 10 0 FEAEMN CCOc1ccccc1CCNC(=O)N1CCN(CCOC)[C@@H](CC)C1 ZINC000117491331 326062587 /nfs/dbraw/zinc/06/25/87/326062587.db2.gz JIPJLSYCERALHE-SFHVURJKSA-N 0 1 363.502 2.380 10 0 FEAEMN CC[C@@H](O)CN1CCN(CC(=O)N[C@@H](C)c2cccc3ccccc32)CC1 ZINC000118857439 326108324 /nfs/dbraw/zinc/10/83/24/326108324.db2.gz UCNOCRABVNGZLK-PKOBYXMFSA-N 0 1 369.509 2.406 10 0 FEAEMN CC[C@H](O)CN1CCN(CC(=O)N[C@H](C)c2ccc3c(c2)CCCC3)CC1 ZINC000118858000 326109233 /nfs/dbraw/zinc/10/92/33/326109233.db2.gz VRMNSCMPXMYGBM-UTKZUKDTSA-N 0 1 373.541 2.131 10 0 FEAEMN Cc1nc([C@H]2CN(C(=O)[C@H](O)c3cc(Cl)cc(Cl)c3)CCO2)n[nH]1 ZINC000119724732 326191685 /nfs/dbraw/zinc/19/16/85/326191685.db2.gz RLNOXNWRJPFXIB-CHWSQXEVSA-N 0 1 371.224 2.053 10 0 FEAEMN CCOCCN1CCN(C(=O)Nc2ccc(OC)nc2C)C[C@@H]1CC ZINC000120287728 326246886 /nfs/dbraw/zinc/24/68/86/326246886.db2.gz VNIOVUMAYNPADY-HNNXBMFYSA-N 0 1 350.463 2.363 10 0 FEAEMN CCc1nc([C@@H]2CN(C(=O)N[C@H]3CCc4c3cccc4OC)CCO2)n[nH]1 ZINC000121085627 326312033 /nfs/dbraw/zinc/31/20/33/326312033.db2.gz DNZYOZBQNJVGQS-HOCLYGCPSA-N 0 1 371.441 2.146 10 0 FEAEMN CN(C)[C@H](Cc1ccccc1)C(=O)N1CCC(N2CCCCC2=O)CC1 ZINC000121537562 326345929 /nfs/dbraw/zinc/34/59/29/326345929.db2.gz SJYUOYQLPKOGAQ-LJQANCHMSA-N 0 1 357.498 2.163 10 0 FEAEMN CN(C)C[C@@H]1CN(Cc2nc(=O)c3c(-c4ccco4)csc3[nH]2)CCO1 ZINC000155378828 326786407 /nfs/dbraw/zinc/78/64/07/326786407.db2.gz SOBLEGSDLGXAJG-GFCCVEGCSA-N 0 1 374.466 2.007 10 0 FEAEMN CCn1cnnc1C1CCN(C[C@@H](O)COc2cccc(C(C)=O)c2)CC1 ZINC000155385884 326786576 /nfs/dbraw/zinc/78/65/76/326786576.db2.gz DJOHIYFRUDECKS-GOSISDBHSA-N 0 1 372.469 2.120 10 0 FEAEMN CCc1nc([C@@H]2CN(C(=O)Nc3ccc4c(c3)CCCN4C)CCO2)n[nH]1 ZINC000166021427 327080308 /nfs/dbraw/zinc/08/03/08/327080308.db2.gz WHLQTPWJGIHTIC-INIZCTEOSA-N 0 1 370.457 2.355 10 0 FEAEMN CNC(=O)c1cc(NC(=O)N2CCN3CCCC[C@@H]3C2)ccc1Cl ZINC000171526058 327143948 /nfs/dbraw/zinc/14/39/48/327143948.db2.gz KJVYPSLIGRDEBQ-CYBMUJFWSA-N 0 1 350.850 2.402 10 0 FEAEMN Cc1ccccc1CCNC(=O)CN1CC[C@H](CNc2ccccn2)C1 ZINC000171645201 327151173 /nfs/dbraw/zinc/15/11/73/327151173.db2.gz MIAOVUYBOJYXEO-GOSISDBHSA-N 0 1 352.482 2.483 10 0 FEAEMN Cc1c(Cl)cccc1NC(=O)CCNC(=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000171906230 327169305 /nfs/dbraw/zinc/16/93/05/327169305.db2.gz NWHVDYAMKRXVTK-AWEZNQCLSA-N 0 1 364.877 2.467 10 0 FEAEMN CSc1cccc(NC(=O)[C@H](C)N2CCO[C@H](c3n[nH]c(C)n3)C2)c1 ZINC000173356095 327251755 /nfs/dbraw/zinc/25/17/55/327251755.db2.gz WDYRKJWWXNJAGS-NHYWBVRUSA-N 0 1 361.471 2.236 10 0 FEAEMN CC[C@@H](O)CN1CCN([C@H](C)C(=O)Nc2ccc(C)cc2Cl)CC1 ZINC000173458669 327258540 /nfs/dbraw/zinc/25/85/40/327258540.db2.gz HXRJDOAQXCBBBI-HUUCEWRRSA-N 0 1 353.894 2.364 10 0 FEAEMN Cc1nc([C@@H]2CN(C(=O)c3ccc(Br)c(F)c3)CCO2)n[nH]1 ZINC000173522421 327263567 /nfs/dbraw/zinc/26/35/67/327263567.db2.gz UZLWPICGPBGWJY-LBPRGKRZSA-N 0 1 369.194 2.228 10 0 FEAEMN Cc1nc([C@H]2CN(C(=O)c3ccc(Br)cc3)CCO2)n[nH]1 ZINC000173524937 327263715 /nfs/dbraw/zinc/26/37/15/327263715.db2.gz QYABSSFHSBYHAY-GFCCVEGCSA-N 0 1 351.204 2.089 10 0 FEAEMN Cc1nc([C@@H]2CN(C(=O)c3csc(-c4ccccc4)n3)CCO2)n[nH]1 ZINC000173547522 327265661 /nfs/dbraw/zinc/26/56/61/327265661.db2.gz WONMMKKHYVFCFK-AWEZNQCLSA-N 0 1 355.423 2.450 10 0 FEAEMN CCCOc1ccc(CCC(=O)N2CCO[C@@H](c3n[nH]c(C)n3)C2)cc1 ZINC000173548558 327265666 /nfs/dbraw/zinc/26/56/66/327265666.db2.gz GUVIPDOVERZYHW-QGZVFWFLSA-N 0 1 358.442 2.435 10 0 FEAEMN Cc1nc([C@@H]2CN(C(=O)CCSc3ccccc3F)CCO2)n[nH]1 ZINC000173548166 327265668 /nfs/dbraw/zinc/26/56/68/327265668.db2.gz RJEAJQOKVIRBQL-ZDUSSCGKSA-N 0 1 350.419 2.335 10 0 FEAEMN CCc1nc([C@@H]2CN(C(=O)Cc3nc(-c4ccco4)oc3C)CCO2)n[nH]1 ZINC000173561450 327266646 /nfs/dbraw/zinc/26/66/46/327266646.db2.gz IYFVKYIOOZWMTJ-AWEZNQCLSA-N 0 1 371.397 2.066 10 0 FEAEMN CCc1nc([C@H]2CN(C(=O)C[C@H](C)c3ccccc3OC)CCO2)n[nH]1 ZINC000173576289 327268015 /nfs/dbraw/zinc/26/80/15/327268015.db2.gz RZSYAKBNPZAWPG-XJKSGUPXSA-N 0 1 358.442 2.469 10 0 FEAEMN Cc1nc([C@@H]2CN(C(=O)COc3cccc4ccccc43)CCO2)n[nH]1 ZINC000173603679 327270171 /nfs/dbraw/zinc/27/01/71/327270171.db2.gz KBILECYFWRYFMV-KRWDZBQOSA-N 0 1 352.394 2.245 10 0 FEAEMN Cc1nc([C@H]2CN(CCc3nc(-c4cccc(Cl)c4)no3)CCO2)n[nH]1 ZINC000173658137 327274179 /nfs/dbraw/zinc/27/41/79/327274179.db2.gz FNLGTFSADHYULV-CQSZACIVSA-N 0 1 374.832 2.433 10 0 FEAEMN COc1ccc(-c2nc(CN3CCO[C@H](c4n[nH]c(C)n4)C3)co2)cc1 ZINC000173665135 327274720 /nfs/dbraw/zinc/27/47/20/327274720.db2.gz WCUSDUHXLHURBK-INIZCTEOSA-N 0 1 355.398 2.350 10 0 FEAEMN 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