smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1c2c(cc3c1C[C@H]1COC(=O)[C@H]1[C@@H]3c1ccc3c(c1)OCO3)OCO2 ZINC000086042564 291121212 /nfs/dbraw/zinc/12/12/12/291121212.db2.gz CCJWJASNEQOVDI-UZCIPKQKSA-N 0 0 382.368 2.630 1 0 biogenic,in-vitro GFAFRN CCC(=O)N1CCc2cc(Br)cc(S(=O)(=O)N[C@H](C)CC)c21 ZINC000002458904 203945553 /nfs/dbraw/zinc/94/55/53/203945553.db2.gz ACZCFOHCPFMHFN-SNVBAGLBSA-N 0 0 389.315 2.825 1 0 GFAFRN CCNc1ncc2nc(-c3cc(F)cc(F)c3)c(=O)n(C[C@H]3CCCO3)c2n1 ZINC000004239093 204034050 /nfs/dbraw/zinc/03/40/50/204034050.db2.gz CWMIRIPYLCPVHY-CQSZACIVSA-N 0 0 387.390 2.743 1 0 GFAFRN COc1ccc(-c2nc3cnc(OC)nc3n(-c3ccc(OC)cc3)c2=O)cc1 ZINC000004238780 204034771 /nfs/dbraw/zinc/03/47/71/204034771.db2.gz RBSBKGUZQXFDHP-UHFFFAOYSA-N 0 0 390.399 2.869 1 0 GFAFRN C[NH+](C)C[C@H]1CCN(c2c(F)cc3c(=O)c(C(=O)[O-])cn(C4CC4)c3c2F)C1 ZINC000005848748 204154337 /nfs/dbraw/zinc/15/43/37/204154337.db2.gz VWXSNQMSAGBLPD-LLVKDONJSA-N 0 0 391.418 2.701 1 0 GFAFRN CC[C@@]1(O)C(=O)OCc2c(=O)n3c(c(Cl)c21)-c1nc2ccccc2cc1C3 ZINC000005499978 204136480 /nfs/dbraw/zinc/13/64/80/204136480.db2.gz YSECKCJSQWAIGC-FQEVSTJZSA-N 0 0 382.803 2.733 1 0 GFAFRN COC(=O)C1=C(C)[C@@H](O)[C@@H](C)[C@H](c2c(OC)c(OC)c(C)c(OC)c2OC)O1 ZINC000007998501 204258383 /nfs/dbraw/zinc/25/83/83/204258383.db2.gz RMHDUAVOJMBKRM-BIGNPOOSSA-N 0 0 396.436 2.545 1 0 GFAFRN CC[C@@H]1CCCCN1C(=O)Cn1c2c(c(C)nn2C)c(C(F)(F)F)cc1=O ZINC000008604848 204281284 /nfs/dbraw/zinc/28/12/84/204281284.db2.gz UOVWTVPANBANHK-GFCCVEGCSA-N 0 0 384.402 2.853 1 0 GFAFRN CC(=O)NC[C@H]1CN(c2ccc3c(c2)CCCc2c(NC(C)C)n[nH]c2-3)C(=O)O1 ZINC000011524622 204346874 /nfs/dbraw/zinc/34/68/74/204346874.db2.gz KHUIBZKLRCVCKU-INIZCTEOSA-N 0 0 397.479 2.847 1 0 GFAFRN NS(=O)(=O)Oc1ccc2c(c1)C(=O)C[C@@H](C13CC4CC(CC(C4)C1)C3)O2 ZINC000013491347 204491611 /nfs/dbraw/zinc/49/16/11/204491611.db2.gz OJPMHVDRKLRGSZ-PDPDEEBBSA-N 0 0 377.462 2.819 1 0 GFAFRN COc1cc2ncnc(N3CC[C@@H](Oc4ncc(Cl)cn4)C3)c2cc1OC ZINC000014956463 204545569 /nfs/dbraw/zinc/54/55/69/204545569.db2.gz NDASMCYFWCEUSG-GFCCVEGCSA-N 0 0 387.827 2.748 1 0 GFAFRN Cc1ccc(-n2c3nc(-c4ccc(F)cc4F)nc(C(N)=O)c3[nH]c2=O)cc1C ZINC000021156410 204754332 /nfs/dbraw/zinc/75/43/32/204754332.db2.gz SRHZLNJYMTTXBN-UHFFFAOYSA-N 0 0 395.369 2.770 1 0 GFAFRN CS(=O)(=O)NC[C@@H]1CCCc2cc(S(=O)(=O)c3cccc(F)c3)ccc21 ZINC000035983598 205000318 /nfs/dbraw/zinc/00/03/18/205000318.db2.gz QVHNGLRPAQDRMO-AWEZNQCLSA-N 0 0 397.493 2.628 1 0 GFAFRN CCS(=O)(=O)N1CCC(NC(=O)Nc2ccc(OC(F)(F)F)cc2)CC1 ZINC000043192675 205081886 /nfs/dbraw/zinc/08/18/86/205081886.db2.gz VHDNEAFNRKTMDL-UHFFFAOYSA-N 0 0 395.403 2.521 1 0 GFAFRN Cc1ncccc1N1C[C@@H](C(=O)NCc2ccc(F)c(F)c2Cl)N(C)C1=O ZINC000043199820 205082376 /nfs/dbraw/zinc/08/23/76/205082376.db2.gz WNQZMWIHYRPXRG-AWEZNQCLSA-N 0 0 394.809 2.878 1 0 GFAFRN CC(C)Oc1ccc(-c2ccc3c(c2)C(=O)N([C@@H]2CCC(=O)NC2=O)C3=O)cc1 ZINC000045358237 205096161 /nfs/dbraw/zinc/09/61/61/205096161.db2.gz LICYGABGIVHXQG-GOSISDBHSA-N 0 0 392.411 2.542 1 0 GFAFRN CC(C)C(=O)OC[C@]1(CO)C/C(=C/c2ccc(OC(F)(F)F)cc2)C(=O)O1 ZINC000040860286 205073671 /nfs/dbraw/zinc/07/36/71/205073671.db2.gz ABUXMZSTVMHGJQ-KYTCBBFDSA-N 0 0 388.338 2.846 1 0 GFAFRN Nc1ccc([C@H]2SCC(=O)N2NC(=O)CSc2nc3ccccc3[nH]2)cc1 ZINC000049053744 205125046 /nfs/dbraw/zinc/12/50/46/205125046.db2.gz ALRUDUYFOUUQSJ-QGZVFWFLSA-N 0 0 399.501 2.543 1 0 GFAFRN Cc1nc2c(cc(C(=O)NCCO)c3c2O[C@H](c2ccccc2C)CC3)n1C ZINC000049110303 205125445 /nfs/dbraw/zinc/12/54/45/205125445.db2.gz BKDHECAUABUFKI-IBGZPJMESA-N 0 0 379.460 2.979 1 0 GFAFRN CON(C)C(=O)C[C@@H]1C[C@@H](OCc2ccccc2)CN1C(=O)OC(C)(C)C ZINC000061948204 205184752 /nfs/dbraw/zinc/18/47/52/205184752.db2.gz CUIODGKGMIPFGQ-DLBZAZTESA-N 0 0 378.469 2.991 3 0 GFAFRN CNC(=O)Nc1ccc(Nc2nc3ccccc3n2-c2nc(C)nc(N)n2)cc1 ZINC000071317108 205281135 /nfs/dbraw/zinc/28/11/35/205281135.db2.gz LYZVYVLSMGRTPB-UHFFFAOYSA-N 0 0 389.423 2.596 1 0 GFAFRN COc1ccc(NC(=O)c2cnc3cc(C(=O)N(C)C)n(C)c3c2)cc1OC ZINC000072323433 205324185 /nfs/dbraw/zinc/32/41/85/205324185.db2.gz NBTXRJUNYDSSIY-UHFFFAOYSA-N 0 0 382.420 2.545 2 0 GFAFRN CN(C)C(=O)c1cc2ncc(C(=O)NCCc3c[nH]c4ccccc34)cc2n1C ZINC000072322800 205324675 /nfs/dbraw/zinc/32/46/75/205324675.db2.gz QQLUJSBHJYEHNU-UHFFFAOYSA-N 0 0 389.459 2.729 2 0 GFAFRN COc1ccc(OC)c(NC(=O)c2cnc3cc(C(=O)N(C)C)n(C)c3c2)c1 ZINC000072323434 205325081 /nfs/dbraw/zinc/32/50/81/205325081.db2.gz AIDUIBSAWBXTQG-UHFFFAOYSA-N 0 0 382.420 2.545 2 0 GFAFRN O=C1c2cc3ncn(CCc4cccc(F)c4)c(=O)c3cc2O[C@@H]2CCCN12 ZINC000072128568 205307033 /nfs/dbraw/zinc/30/70/33/205307033.db2.gz RKTWPUGVMOEUQE-LJQANCHMSA-N 0 0 379.391 2.733 1 0 GFAFRN O=C1N[C@@](c2ccccc2)(C2CC2)C(=O)N1CN1CCN(c2ccccc2)CC1 ZINC000072124427 205307302 /nfs/dbraw/zinc/30/73/02/205307302.db2.gz UNZGCLUCLKDDNO-QHCPKHFHSA-N 0 0 390.487 2.623 1 0 GFAFRN COc1ccc2c(c1)[C@@H]1C(=CCn3c(=O)n(-c4ccccc4)c(=O)n31)C(C)(C)O2 ZINC000072141058 205308166 /nfs/dbraw/zinc/30/81/66/205308166.db2.gz RFMRLVPKDQCEAF-LJQANCHMSA-N 0 0 391.427 2.510 1 0 GFAFRN CCN(CC)C(=O)OCn1cc([C@@H](O)c2ccc3c(c2)C=CC(C)(C)O3)nn1 ZINC000072180797 205317217 /nfs/dbraw/zinc/31/72/17/205317217.db2.gz ROLKGGNESCBACX-SFHVURJKSA-N 0 0 386.452 2.980 1 0 GFAFRN Cc1nnsc1C1=NN[C@H]2SC(c3c(C)onc3-c3ccccc3)=NN12 ZINC000103215560 205643043 /nfs/dbraw/zinc/64/30/43/205643043.db2.gz LRWHKKYVUGUHHU-MRXNPFEDSA-N 0 0 383.462 2.769 1 0 GFAFRN Oc1cccc(-c2nc(N3CCOCC3)nc3c2CCN3c2nccs2)c1 ZINC000095598167 136182505 /nfs/dbraw/zinc/18/25/05/136182505.db2.gz IJEXEUSITATEGK-UHFFFAOYSA-N 0 0 381.461 2.837 1 0 GFAFRN Cc1ccccc1[C@H]1CC(=O)N(CN2CCN(c3ccccc3F)CC2)C1=O ZINC000101647739 136189651 /nfs/dbraw/zinc/18/96/51/136189651.db2.gz RLHNUSLYPODRJE-GOSISDBHSA-N 0 0 381.451 2.756 1 0 GFAFRN CCCn1c2[nH]c(-c3ccnn3-c3ccccc3)nc2c(=O)n(CCC)c1=O ZINC000036190435 221846718 /nfs/dbraw/zinc/84/67/18/221846718.db2.gz FWIUMUQPXKVBIU-UHFFFAOYSA-N 0 0 378.436 2.559 1 0 GFAFRN COc1c2c(cc(O)c1OC)[C@@H]1COc3c(cc(O)c(OC)c3OC)[C@@H]1O2 ZINC000014438251 560221354 /nfs/dbraw/zinc/22/13/54/560221354.db2.gz OADZLSQNPZPBEF-GWCFXTLKSA-N 0 0 376.361 2.742 1 0 biogenic,in-vitro GFAFRN O=c1c(-c2ccccc2)nc2cnc(N3CCOCC3)nc2n1-c1ccccc1 ZINC000004238205 204034181 /nfs/dbraw/zinc/03/41/81/204034181.db2.gz ZVPVWAOUIKGYGA-UHFFFAOYSA-N 0 0 385.427 2.679 1 0 GFAFRN Cn1c(C(=O)O[C@@H](C(=O)NC[C@@H]2CCCO2)c2cccnc2)cc2sccc21 ZINC000004924022 204092044 /nfs/dbraw/zinc/09/20/44/204092044.db2.gz WEKVSVGTEWJQEU-KBXCAEBGSA-N 0 0 399.472 2.828 3 0 GFAFRN C[C@H]1[C@H](NC(=O)C2CCN(S(=O)(=O)N3CCCCCC3)CC2)CCC[C@@H]1C ZINC000004675837 204062227 /nfs/dbraw/zinc/06/22/27/204062227.db2.gz PHTKJTQURPUOOM-YQVWRLOYSA-N 0 0 399.601 2.760 1 0 GFAFRN Cc1ccc(NC(=O)c2ccc(CN3CC(=O)N4CCCC[C@H]4C3=O)cc2)cc1 ZINC000006877535 204218611 /nfs/dbraw/zinc/21/86/11/204218611.db2.gz CGWKCRXZFLKMQN-FQEVSTJZSA-N 0 0 391.471 2.971 1 0 GFAFRN O=c1cccc2n1C[C@@H]1C[C@H]2CN(S(=O)(=O)c2cc(Cl)ccc2Cl)C1 ZINC000006745874 204198497 /nfs/dbraw/zinc/19/84/97/204198497.db2.gz ODEGXYDNMCOGBB-NEPJUHHUSA-N 0 0 399.299 2.963 1 0 GFAFRN Cc1nn(C)c2c1c(C(F)(F)F)cc(=O)n2CC(=O)N[C@H](C)c1ccccc1 ZINC000006916397 204224267 /nfs/dbraw/zinc/22/42/67/204224267.db2.gz VDQVZFFAZJQPAM-LLVKDONJSA-N 0 0 392.381 2.940 1 0 GFAFRN CC(C)C[C@@H](CO)N1CCN(C(=O)c2cccc(C(F)(F)F)c2)CCC1=O ZINC000008680068 204283754 /nfs/dbraw/zinc/28/37/54/204283754.db2.gz RSXCENTWUYMKHO-INIZCTEOSA-N 0 0 386.414 2.787 3 0 GFAFRN O=C(N[C@@H]1Cc2ccccc2N(CCO)C1=O)c1cc2cc(Cl)ccc2[nH]1 ZINC000028818305 204881107 /nfs/dbraw/zinc/88/11/07/204881107.db2.gz KCMCGGMTGBVPCQ-QGZVFWFLSA-N 0 0 383.835 2.501 1 0 GFAFRN CON=C(N)c1ccc(-c2cnc(-c3ccc(C(N)=NOC)cc3)nc2)cc1 ZINC000036476207 205017132 /nfs/dbraw/zinc/01/71/32/205017132.db2.gz QRECYEDQUSLIJO-UHFFFAOYSA-N 0 0 376.420 2.763 1 0 GFAFRN CC(=O)c1ccc2c(n1)c(S(=O)(=O)c1cccc(F)c1)cn2CCN(C)C ZINC000045283952 205094084 /nfs/dbraw/zinc/09/40/84/205094084.db2.gz UNKWYRPAWUIZDJ-UHFFFAOYSA-N 0 0 389.452 2.772 1 0 GFAFRN COc1cccc([C@@H]2OC(c3cc(OC)c(OC)c(OC)c3)=NN2C(C)=O)c1 ZINC000045245137 205094993 /nfs/dbraw/zinc/09/49/93/205094993.db2.gz SSQFHHTZOZJMGM-FQEVSTJZSA-N 0 0 386.404 2.960 1 0 GFAFRN CC(C)Cc1ccc(-c2cccc3c2C(=O)N([C@H]2CCC(=O)NC2=O)C3=O)cc1 ZINC000045354930 205096055 /nfs/dbraw/zinc/09/60/55/205096055.db2.gz VRYNGXKQHUXZCX-SFHVURJKSA-N 0 0 390.439 2.953 1 0 GFAFRN O=C(CO)Nc1ccc2c(c1)ncn(Cc1ccc(Cl)c(Cl)c1)c2=O ZINC000040875829 205074638 /nfs/dbraw/zinc/07/46/38/205074638.db2.gz QBWYZAHJEFWQPF-UHFFFAOYSA-N 0 0 378.215 2.682 1 0 GFAFRN Cc1cc2c(c(=O)o1)C=C1CC[C@H]([C@H](C)Cn3cnc4cnc(N)nc43)C[C@@H]1O2 ZINC000040933277 205075338 /nfs/dbraw/zinc/07/53/38/205075338.db2.gz WUBJKUWLFUDEOR-ZUCKAHLUSA-N 0 0 393.447 2.951 1 0 GFAFRN O=C(Nc1nc2ncccc2n2c(=O)n(-c3ccccc3)nc12)c1ccccc1 ZINC000040913527 205075677 /nfs/dbraw/zinc/07/56/77/205075677.db2.gz AAGFKZWKWAMJNP-UHFFFAOYSA-N 0 0 382.383 2.681 1 0 GFAFRN O=C(CSc1nc2ccccc2[nH]1)NN1C(=O)CS[C@H]1c1ccccc1 ZINC000049114874 205127357 /nfs/dbraw/zinc/12/73/57/205127357.db2.gz CMEICMKJASGPDF-KRWDZBQOSA-N 0 0 384.486 2.960 1 0 GFAFRN O=C(Nc1ccccc1)c1cc([C@@H]2COCCN2C(=O)c2ccccn2)on1 ZINC000061906838 205184547 /nfs/dbraw/zinc/18/45/47/205184547.db2.gz ZDFJJIOMPXCEEK-KRWDZBQOSA-N 0 0 378.388 2.536 3 0 GFAFRN CNS(=O)(=O)c1cccc(-c2ccc([C@@](O)(c3c[nH]cn3)C(C)C)cc2)c1 ZINC000071318003 205281191 /nfs/dbraw/zinc/28/11/91/205281191.db2.gz IPNCNQRVJPVKSD-HXUWFJFHSA-N 0 0 385.489 2.877 1 0 GFAFRN CNc1nc2[nH]c(-c3cccc(C4(NC(C)=O)CC4)n3)cc2c2c1ncn2C ZINC000073165164 205355554 /nfs/dbraw/zinc/35/55/54/205355554.db2.gz FJYCDJHXNBOPQY-UHFFFAOYSA-N 0 0 375.436 2.679 1 0 GFAFRN O=C1COc2ccc(C3=Nn4cnnc4S[C@@H]3c3cccc(F)c3)cc2N1 ZINC000082149479 205390385 /nfs/dbraw/zinc/39/03/85/205390385.db2.gz DFBSMSXIFGLYCG-QGZVFWFLSA-N 0 0 381.392 2.848 1 0 GFAFRN NC(=O)c1nccc2c3cc(S(=O)(=O)Nc4ccc(F)cc4)ccc3[nH]c21 ZINC000084671542 205397125 /nfs/dbraw/zinc/39/71/25/205397125.db2.gz QJZLPNVSDFBNIH-UHFFFAOYSA-N 0 0 384.392 2.755 1 0 GFAFRN CC(C)(C)OC(=O)N1[C@H](n2cnc3ncnc(Cl)c32)C(F)(F)C[C@H]1CO ZINC000095559133 205496334 /nfs/dbraw/zinc/49/63/34/205496334.db2.gz XOZFCRHBRSHVJP-UFBFGSQYSA-N 0 0 389.790 2.615 1 0 GFAFRN NS(=O)(=O)c1ccc(-c2cn(-c3ccc(Cl)c(Cl)c3)nn2)s1 ZINC000096913512 205577024 /nfs/dbraw/zinc/57/70/24/205577024.db2.gz DOHMQSKSQLORCI-UHFFFAOYSA-N 0 0 375.262 2.950 1 0 GFAFRN O=C1C[C@@H](c2ccccc2F)C(=O)N1CN1CCN(c2ccccc2F)CC1 ZINC000084732732 136175080 /nfs/dbraw/zinc/17/50/80/136175080.db2.gz FAVCMXNMFHPPHH-INIZCTEOSA-N 0 0 385.414 2.587 1 0 GFAFRN C=CC(=O)N1CCc2c(sc3ncnc(N[C@@H](CO)c4ccccc4)c32)C1 ZINC000064527161 222072952 /nfs/dbraw/zinc/07/29/52/222072952.db2.gz YAFRPXJMYXBTOY-HNNXBMFYSA-N 0 0 380.473 2.908 1 0 GFAFRN O=C(OCCCc1cccnc1)[C@@H]1CCCCN1C(=O)C(=O)c1ccccc1 ZINC000025968429 581101924 /nfs/dbraw/zinc/10/19/24/581101924.db2.gz QDJFUMQNAWRXOP-IBGZPJMESA-N 0 0 380.444 2.821 1 0 GFAFRN CC[C@H]1C2=C3N(CCCC2)[C@H]([C@@H]2C[C@H](C)C(=O)O2)CC(=O)[C@@]32[C@@H]1OC(=O)[C@H]2C ZINC000103545989 291120082 /nfs/dbraw/zinc/12/00/82/291120082.db2.gz SIELXTGPFIGRLA-IGLKXLNKSA-N 0 0 387.476 2.607 1 0 biogenic,in-vitro GFAFRN Cc1nocc1S(=O)(=O)N1CCc2c(nc(CC(C)(C)C)n2CC2CC2)C1 ZINC000043024169 205081492 /nfs/dbraw/zinc/08/14/92/205081492.db2.gz QRZXOQNNWGAWKP-UHFFFAOYSA-N 0 0 392.525 2.925 1 0 GFAFRN COc1ccccc1C(=O)c1cnn2c1n[n+]([O-])c1ccc(C(F)(F)F)cc12 ZINC000064447779 205190482 /nfs/dbraw/zinc/19/04/82/205190482.db2.gz GNYPTZAKXSHDBG-UHFFFAOYSA-N 0 0 388.305 2.774 1 0 GFAFRN Cc1ccc(CN2C(=O)[C@@H]3CS[C@@]4(c5ccccc5N(C)C4=O)N3C2=O)cc1 ZINC000066252507 205241231 /nfs/dbraw/zinc/24/12/31/205241231.db2.gz PGNDLAAJABZRNP-LAUBAEHRSA-N 0 0 393.468 2.704 1 0 GFAFRN O=C([O-])CCC[NH+]1CCC(CNC(=O)c2c3ccccc3n3c2OCCC3)CC1 ZINC000066251965 205241515 /nfs/dbraw/zinc/24/15/15/205241515.db2.gz IAPWTUAPWADMCH-UHFFFAOYSA-N 0 0 399.491 2.730 1 0 GFAFRN CCOC(=O)C1=C(C(F)(F)F)NC(=O)N[C@@H]1c1coc2ccc(C)cc2c1=O ZINC000071405073 205283724 /nfs/dbraw/zinc/28/37/24/205283724.db2.gz XEISBKBSGOZAFS-CYBMUJFWSA-N 0 0 396.321 2.835 1 0 GFAFRN O=C(NC1CCCCC1)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)[C@@H]2C1 ZINC000072175755 205317774 /nfs/dbraw/zinc/31/77/74/205317774.db2.gz XHLJZYGFINEFMX-QYZOEREBSA-N 0 0 396.491 2.533 1 0 GFAFRN Nc1nc(C(F)(F)F)cc2c1[nH]c(=O)n2Cc1ccc(C(F)(F)F)nc1 ZINC000084634655 205396795 /nfs/dbraw/zinc/39/67/95/205396795.db2.gz RKZZEGZZRGWGCR-UHFFFAOYSA-N 0 0 377.248 2.788 1 0 GFAFRN Cc1cc(N2CCc3nnn(Cc4ccc5ncccc5c4)c3C2=O)sn1 ZINC000084652604 205397832 /nfs/dbraw/zinc/39/78/32/205397832.db2.gz DIENJHWZNHLZFW-UHFFFAOYSA-N 0 0 376.445 2.842 1 0 GFAFRN CN1C(=O)N(c2ccnc(F)c2)C[C@H]1C(=O)NCc1ccc(F)c(F)c1Cl ZINC000095565076 205499666 /nfs/dbraw/zinc/49/96/66/205499666.db2.gz IVTBZBIFJFTPCH-LBPRGKRZSA-N 0 0 398.772 2.709 1 0 GFAFRN Cc1cc(=O)oc2cc(NC(=O)[C@@H](C)N3C(=O)[C@H]4CCCC[C@@H]4C3=O)ccc12 ZINC000102858295 205637500 /nfs/dbraw/zinc/63/75/00/205637500.db2.gz BLMTUDYNTGOGPS-KCXAZCMYSA-N 0 0 382.416 2.604 1 0 GFAFRN Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)N[C@H]1CCC[C@@H](C)[C@H]1C 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ZINC000043013097 221944676 /nfs/dbraw/zinc/94/46/76/221944676.db2.gz IYIMAYNNPCJOCU-UHFFFAOYSA-N 0 0 380.307 2.815 1 0 GFAFRN CN(Cc1ccccc1Br)Cn1nc(-c2ccncc2)oc1=O ZINC000042965969 221945191 /nfs/dbraw/zinc/94/51/91/221945191.db2.gz HREUMFGKDIFHCE-UHFFFAOYSA-N 0 0 375.226 2.750 1 0 GFAFRN Cc1ccc(Cl)c(N2C(=O)C(Cl)=C(N3CCN(C)CC3)C2=O)c1Cl ZINC000064528073 222072067 /nfs/dbraw/zinc/07/20/67/222072067.db2.gz FOCUDMADBACNHZ-UHFFFAOYSA-N 0 0 388.682 2.873 1 0 GFAFRN C[C@]12C[C@@H](O)[C@H]3[C@@H](CC[C@@H]4C[C@@H](O)CC[C@@]43C)[C@@]1(O)CC[C@@H]2C1=CC(=O)OC1 ZINC000005764362 560203062 /nfs/dbraw/zinc/20/30/62/560203062.db2.gz FLMSQRUGSHIKCT-DDZQJACLSA-N 0 0 390.520 2.575 1 0 in-vitro GFAFRN CS[C@H]1NC(=O)[C@](Cc2ccc(OCC=C(C)C)cc2)(SC)NC1=O ZINC000014443981 560221457 /nfs/dbraw/zinc/22/14/57/560221457.db2.gz OUPACRHVFRGERT-AEFFLSMTSA-N 0 0 380.535 2.569 1 0 biogenic,in-vitro GFAFRN CS(=O)(=O)N1CCc2cc(-c3csc(NC[C@@H]4CCCO4)n3)ccc21 ZINC000001337773 654435283 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398.271 2.986 1 0 GFAFRN COc1ccc(NC(=O)N2CC3(C2)CCN(C(=O)c2ccncc2)CC3)cc1 ZINC000003956219 204022828 /nfs/dbraw/zinc/02/28/28/204022828.db2.gz MWISQAMLADFEOT-UHFFFAOYSA-N 0 0 380.448 2.860 1 0 GFAFRN CCCCN(CC)S(=O)(=O)N1CCC(C(=O)NCc2ccc(F)cc2)CC1 ZINC000004034760 204024405 /nfs/dbraw/zinc/02/44/05/204024405.db2.gz YKDLLEXXDWYNDV-UHFFFAOYSA-N 0 0 399.532 2.521 3 0 GFAFRN CCOc1ccc(CO[C@@H]2[C@H]3OC(C)(C)O[C@@H]3O[C@H]2[C@@H]2COC(C)(C)O2)cc1 ZINC000004177344 204031124 /nfs/dbraw/zinc/03/11/24/204031124.db2.gz AOWCCGTVGMHYSD-FKSLSLAPSA-N 0 0 394.464 2.998 1 0 GFAFRN CCOc1ccc(CO[C@H]2[C@@H]([C@@H]3COC(C)(C)O3)O[C@H]3OC(C)(C)O[C@@H]32)cc1 ZINC000004177348 204031743 /nfs/dbraw/zinc/03/17/43/204031743.db2.gz AOWCCGTVGMHYSD-APAFKAMOSA-N 0 0 394.464 2.998 1 0 GFAFRN COCC(=O)N1CCC2(CC1)CCN(C(=O)Nc1ccc(OC)cc1)CC2 ZINC000004237943 204034834 /nfs/dbraw/zinc/03/48/34/204034834.db2.gz MYCFDOUMFUPKEF-UHFFFAOYSA-N 0 0 375.469 2.578 1 0 GFAFRN CC(=O)N[C@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=S)N1CCCC1 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[NH3+][C@@H]1C[C@H]2CC[C@@H](C1)N2c1c(F)cc2c(=O)c(C(=O)[O-])cn(C3CC3)c2c1F ZINC000101799037 208399211 /nfs/dbraw/zinc/39/92/11/208399211.db2.gz DSZNDPYATDNBQS-WLLOZRIZSA-N 0 0 389.402 2.771 1 0 GFAFRN COCC(=O)N1CC[C@H]2[C@@H]1c1cc(-c3ccc(F)cc3)ccc1N(C)[C@@H]2CO ZINC000095568452 136182139 /nfs/dbraw/zinc/18/21/39/136182139.db2.gz OWZWTDQWRCAHMI-NQSCKRDGSA-N 0 0 384.451 2.839 1 0 GFAFRN COc1cc2cc(N(C)CCCNC(=O)[C@H]3CCCO3)cc(N)c2cc1OC ZINC000008664610 560210720 /nfs/dbraw/zinc/21/07/20/560210720.db2.gz JOMJHJFVTAYZAM-GOSISDBHSA-N 0 0 387.480 2.561 1 0 in-vitro GFAFRN C/C=C(\C)C(=O)O[C@H]1C2=C(C)C(=O)O[C@]2(OC)C[C@H]2CC[C@@H](O)[C@@H](C)[C@]21C ZINC000014782106 571723834 /nfs/dbraw/zinc/72/38/34/571723834.db2.gz BMPRGPGLZWJNOP-CSFMAXQQSA-N 0 0 378.465 2.897 1 0 endogenous,in-man GFAFRN C/C=C(/C)C(=O)O[C@@H]1CC[C@H](C)[C@@]2(C)[C@H](O)C3=C(C)C(=O)O[C@]3(OC)C[C@H]12 ZINC000523041675 291117559 /nfs/dbraw/zinc/11/75/59/291117559.db2.gz CZMOHCGAILDDJJ-RQUSXJRWSA-N 0 0 378.465 2.897 1 0 biogenic 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/nfs/dbraw/zinc/38/84/54/206388454.db2.gz MHGHKECOHLJWOC-WAFBPQNNSA-N 0 0 384.217 2.592 1 0 GFAFRN CC[C@@H](C(=O)NCc1ccccn1)n1c2ccccc2c2nc(=O)cc(C)n21 ZINC000006780292 206676061 /nfs/dbraw/zinc/67/60/61/206676061.db2.gz CEGKPTNELBVZMY-KRWDZBQOSA-N 0 0 375.432 2.620 3 0 GFAFRN CC1=C(C(=O)OC(C)C)[C@H](c2cccc(Br)c2)N(C(N)=O)C(=O)N1 ZINC000013820442 207000961 /nfs/dbraw/zinc/00/09/61/207000961.db2.gz LSGMRPZJMHTJQV-ZDUSSCGKSA-N 0 0 396.241 2.820 1 0 GFAFRN CNC(=O)c1ccc2c(c1)[nH]nc2-c1cc2cc(CN3CCOCC3)ccc2[nH]1 ZINC000014949235 207032884 /nfs/dbraw/zinc/03/28/84/207032884.db2.gz RXOGENJPRMPUAI-UHFFFAOYSA-N 0 0 389.459 2.903 1 0 GFAFRN C=Cn1cc(C(=O)[O-])c(=O)c2cc(F)c(N3CC[C@@H](C[NH2+]CC)C3)c(F)c21 ZINC000025963571 207307591 /nfs/dbraw/zinc/30/75/91/207307591.db2.gz QDHPRAPAONIUPQ-NSHDSACASA-N 0 0 377.391 2.514 1 0 GFAFRN CC(C)Cn1c2nc(NC3CCCC3)n(Cc3ccccc3)c2c(=O)n(C)c1=O ZINC000026839597 207319448 /nfs/dbraw/zinc/31/94/48/207319448.db2.gz MSDVMDZXJAACQO-UHFFFAOYSA-N 0 0 395.507 2.956 1 0 GFAFRN CN1C(=O)CC[C@@]2(C)[C@H]1CC[C@H]1[C@@H]3CC[C@@H](C(=O)NCCO)[C@@]3(C)CC[C@@H]12 ZINC000026390629 207312686 /nfs/dbraw/zinc/31/26/86/207312686.db2.gz RYYSYRHPOPBMEU-QHPZLZSXSA-N 0 0 376.541 2.575 1 0 GFAFRN CN1CCN(C(=O)c2[nH]cc(-c3ccc(Cl)cc3)c2N2CCOCC2)CC1 ZINC000027854455 207332099 /nfs/dbraw/zinc/33/20/99/207332099.db2.gz HSYOYARUDZCSPK-UHFFFAOYSA-N 0 0 388.899 2.559 1 0 GFAFRN CCCOc1ccc(NC(=O)c2ccc(NS(=O)(=O)N(C)C)cc2)cc1 ZINC000027417168 207325277 /nfs/dbraw/zinc/32/52/77/207325277.db2.gz DGAKRQPMTNHEQG-UHFFFAOYSA-N 0 0 377.466 2.946 1 0 GFAFRN Cc1c(N2CC[C@@H]([N@H+](C)C3CC3)C2)c(F)cn2c(=O)c(C(=O)[O-])cc(C3CC3)c12 ZINC000027418656 207325868 /nfs/dbraw/zinc/32/58/68/207325868.db2.gz HPCSEHOWZLDWHU-OAHLLOKOSA-N 0 0 399.466 2.996 1 0 GFAFRN Cc1c(N2CC[C@@H]3[NH2+]CCC[C@@H]32)c(F)cn2c(=O)c(C(=O)[O-])cc(C3CC3)c12 ZINC000027423246 207325911 /nfs/dbraw/zinc/32/59/11/207325911.db2.gz JOHVRQYRUFMDOF-IRXDYDNUSA-N 0 0 385.439 2.653 1 0 GFAFRN Nc1nccc(-c2cc3cc4c([nH]ccc4=O)n3c(NCc3ccccc3)n2)n1 ZINC000028568495 207343576 /nfs/dbraw/zinc/34/35/76/207343576.db2.gz FMNYESFNZXIFDL-UHFFFAOYSA-N 0 0 383.415 2.827 1 0 GFAFRN CS(=O)(=O)c1ccc(C2=NN(C(N)=S)[C@H](c3ccc(F)cc3)C2)cc1 ZINC000066260220 207879797 /nfs/dbraw/zinc/87/97/97/207879797.db2.gz HKZUQQZYMINJRP-INIZCTEOSA-N 0 0 377.466 2.624 1 0 GFAFRN CC(C)(C)c1cc(NC(=O)N2CCCN(C(=O)[C@@H]3CCCCO3)CC2)no1 ZINC000071316747 207937133 /nfs/dbraw/zinc/93/71/33/207937133.db2.gz AOCSQGAXWSYTPJ-AWEZNQCLSA-N 0 0 378.473 2.607 1 0 GFAFRN O=C(NC1CCCCC1)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)[C@H]2C1 ZINC000072175756 207988442 /nfs/dbraw/zinc/98/84/42/207988442.db2.gz XHLJZYGFINEFMX-CEXWTWQISA-N 0 0 396.491 2.533 1 0 GFAFRN CC(C)(C)c1ccc([S@@]2=NS(=O)(=O)c3ccc(S(N)(=O)=O)cc32)cc1 ZINC000073163158 208034095 /nfs/dbraw/zinc/03/40/95/208034095.db2.gz AFILGFZWTMPJFV-HSZRJFAPSA-N 0 0 398.531 2.554 1 0 GFAFRN NS(=O)(=O)Oc1ccc(NC(=O)Nc2c(F)c(F)c(F)c(F)c2F)cc1 ZINC000084669524 208096706 /nfs/dbraw/zinc/09/67/06/208096706.db2.gz OHYPSOMCJGAUFK-UHFFFAOYSA-N 0 0 397.281 2.608 1 0 GFAFRN NS(=O)(=O)c1ccc(NN2C(=O)CS[C@H]2c2ccc(Cl)cc2)cc1 ZINC000084731391 208098102 /nfs/dbraw/zinc/09/81/02/208098102.db2.gz MDPPXDRCGARZBD-HNNXBMFYSA-N 0 0 383.882 2.589 1 0 GFAFRN CCOC(=O)[C@]12Cc3ccccc3[C@H]1N(CCC(=O)OC)C(=O)c1ccccc12 ZINC000095566920 208234792 /nfs/dbraw/zinc/23/47/92/208234792.db2.gz HIXBCOKWGROAQJ-OFNKIYASSA-N 0 0 393.439 2.804 3 0 GFAFRN COc1ccccc1NC(=O)[C@@H](NNc1ccc(F)cc1)C(=O)C(F)(F)F ZINC000103194303 208417101 /nfs/dbraw/zinc/41/71/01/208417101.db2.gz BGDYQJJNXCYSBL-AWEZNQCLSA-N 0 0 385.317 2.890 1 0 GFAFRN Cc1ccc(S(=O)(=O)N2CCC(=O)c3c(N4CCN(C)CC4)cccc32)cc1 ZINC000066262748 136164360 /nfs/dbraw/zinc/16/43/60/136164360.db2.gz JHPXIIDMXOSCAF-UHFFFAOYSA-N 0 0 399.516 2.529 1 0 GFAFRN CCOC(=O)c1ccc(NC(=O)c2cnc3cc(C(=O)N(C)C)n(C)c3c2)cc1 ZINC000072323428 222226123 /nfs/dbraw/zinc/22/61/23/222226123.db2.gz IIRMXQHKVXWKQJ-UHFFFAOYSA-N 0 0 394.431 2.704 2 0 GFAFRN CNC(=O)c1cn2c(n1)CN(c1cc(-c3ncc(C)cc3C)c(Cl)cn1)CC2 ZINC000169342736 536438690 /nfs/dbraw/zinc/43/86/90/536438690.db2.gz HFZBTEKWFVRYDZ-UHFFFAOYSA-N 0 0 396.882 2.990 1 0 GFAFRN CN1CCCC[C@H]1C(=O)Nc1ccc(-n2cc3cccc(C(N)=O)c3n2)cc1 ZINC000045385479 581098749 /nfs/dbraw/zinc/09/87/49/581098749.db2.gz CBTWKVIWLYXVTA-SFHVURJKSA-N 0 0 377.448 2.547 1 0 GFAFRN C[C@@H]1CN(c2c(F)cc3c(=O)c(C(=O)[O-])cn4c3c2S[C@@H](C)C4)C[C@@H](C)[NH2+]1 ZINC000001913701 206394576 /nfs/dbraw/zinc/39/45/76/206394576.db2.gz LWKWCDOODAUPOG-MXWKQRLJSA-N 0 0 391.468 2.520 1 0 GFAFRN C[C@@H](CCc1ccccc1)NC(=O)CCS(=O)(=O)c1cccc2nonc21 ZINC000006948194 206696251 /nfs/dbraw/zinc/69/62/51/206696251.db2.gz NWUPHTBMDCXOOY-AWEZNQCLSA-N 0 0 387.461 2.524 1 0 GFAFRN O=c1[nH]c2c(c3nc(-c4ccccc4F)nn31)CN(Cc1ccncc1)CC2 ZINC000013824530 207000873 /nfs/dbraw/zinc/00/08/73/207000873.db2.gz XIVPDGOHYSPICX-UHFFFAOYSA-N 0 0 376.395 2.589 1 0 GFAFRN COC(=O)[C@H]1[C@@H](O)CC[C@@H]2CN3CCc4c([nH]c5cccc(OC)c54)[C@@H]3C[C@H]12 ZINC000014827789 207029568 /nfs/dbraw/zinc/02/95/68/207029568.db2.gz WMMZYEBFJWWUJX-QGPZCANZSA-N 0 0 384.476 2.656 1 0 GFAFRN CN1c2ccccc2Oc2nnc(N3CCN(C(=O)c4ccco4)CC3)cc21 ZINC000020177836 207181540 /nfs/dbraw/zinc/18/15/40/207181540.db2.gz DLPNCNZFORCSGX-UHFFFAOYSA-N 0 0 377.404 2.906 1 0 GFAFRN CC[NH2+]C[C@@H]1CCN(c2c(F)cc3c(=O)c(C(=O)[O-])cn(C(C)C)c3c2F)C1 ZINC000025963089 207307085 /nfs/dbraw/zinc/30/70/85/207307085.db2.gz GUTIIQCJYCJEHT-LBPRGKRZSA-N 0 0 393.434 2.995 1 0 GFAFRN COc1cc2c(cc1OC)[C@H]1CN(C(=O)C3CCCCC3)CC(=O)N1CCC2 ZINC000026180783 207310376 /nfs/dbraw/zinc/31/03/76/207310376.db2.gz YOAWEZVRKFEZKN-GOSISDBHSA-N 0 0 386.492 2.942 1 0 GFAFRN CCCN(C)C(=O)c1cc2nc(-c3ccc(Br)o3)nn2c(N)c1 ZINC000026975518 207321122 /nfs/dbraw/zinc/32/11/22/207321122.db2.gz FTVQJMKUEVCXGK-UHFFFAOYSA-N 0 0 378.230 2.816 1 0 GFAFRN COC(=O)C[C@H]1c2ccc(Cl)cc2NC(=O)[C@H]1S(=O)(=O)c1ccccc1 ZINC000027082435 207322157 /nfs/dbraw/zinc/32/21/57/207322157.db2.gz UDJFUPPIMHPAPB-YOEHRIQHSA-N 0 0 393.848 2.781 1 0 GFAFRN Nc1cccc(-c2nnc(=O)n3c(Br)c(Br)[nH]c23)c1 ZINC000028006590 207333996 /nfs/dbraw/zinc/33/39/96/207333996.db2.gz OPGLYDRYUMWULZ-UHFFFAOYSA-N 0 0 385.019 2.604 1 0 GFAFRN CC[NH2+]CC1(C)CN(c2c(F)cc3c(=O)c(C(=O)[O-])cn(C4CC4)c3c2F)C1 ZINC000027423022 207325970 /nfs/dbraw/zinc/32/59/70/207325970.db2.gz XCMSBTPBSCLKOX-UHFFFAOYSA-N 0 0 391.418 2.749 1 0 GFAFRN CSc1ccc(CN2[C@]3(CC(=O)NC3=O)c3ccccc3S2(=O)=O)cc1 ZINC000027523927 207326026 /nfs/dbraw/zinc/32/60/26/207326026.db2.gz WTIRGYHDDYEHPH-GOSISDBHSA-N 0 0 388.470 2.695 1 0 GFAFRN Cc1cn([C@H]2C[C@H](OC3Sc4ccccc4S3)[C@@H](C)O2)c(=O)[nH]c1=O ZINC000028464367 207342800 /nfs/dbraw/zinc/34/28/00/207342800.db2.gz PMMFJCJGTOFXDG-UHIISALHSA-N 0 0 378.475 2.719 1 0 GFAFRN Nc1ccccc1NC(=O)c1ccc(Cn2c(=O)[nH]c3ccsc3c2=O)cc1 ZINC000028826551 207349197 /nfs/dbraw/zinc/34/91/97/207349197.db2.gz XAQLBPYOFGXFIX-UHFFFAOYSA-N 0 0 392.440 2.634 1 0 GFAFRN O=C(NC1(C(=O)N2CCC(O)CC2)CCCC1)c1cc2cc(Cl)ccc2[nH]1 ZINC000029057086 207354686 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207321264 /nfs/dbraw/zinc/32/12/64/207321264.db2.gz KAPPJOWDTJANRE-UHFFFAOYSA-N 0 0 399.809 2.778 1 0 GFAFRN CC[C@@]1(O)CC(=O)OCc2c(=O)n3c(cc21)-c1nc2c(F)cccc2cc1C3 ZINC000026389176 207313108 /nfs/dbraw/zinc/31/31/08/207313108.db2.gz DMCSBMGXUPTJMG-OAQYLSRUSA-N 0 0 380.375 2.609 1 0 GFAFRN COc1cc(OC)c([C@@H]2OC(c3ccc(N)c(C)c3)=NN2C(C)=O)cc1OC ZINC000027518127 207325401 /nfs/dbraw/zinc/32/54/01/207325401.db2.gz MDXPXKWMISRSKP-FQEVSTJZSA-N 0 0 385.420 2.842 1 0 GFAFRN CC1(C)Oc2ccc(-c3nc4cccnc4[nH]3)cc2[C@@H](N2CCCC2=O)[C@@H]1O ZINC000027558001 207326620 /nfs/dbraw/zinc/32/66/20/207326620.db2.gz XGNABNAIXIEDRG-MSOLQXFVSA-N 0 0 378.432 2.820 1 0 GFAFRN C[C@@H](c1ccccc1)n1cc(C(=O)[O-])c(=O)c2cc(F)c(N3CC[NH2+]CC3)cc21 ZINC000027625235 207328962 /nfs/dbraw/zinc/32/89/62/207328962.db2.gz PUNXMKKGIPMHLR-AWEZNQCLSA-N 0 0 395.434 2.858 1 0 GFAFRN CN(C)CC(=O)N1c2ccccc2N(C)S(=O)(=O)c2cc(Cl)ccc21 ZINC000028765486 207348814 /nfs/dbraw/zinc/34/88/14/207348814.db2.gz KIAMRVBGNUOOBU-UHFFFAOYSA-N 0 0 379.869 2.705 1 0 GFAFRN COC(=O)c1csc(NC(=O)c2ccc3[nH]c4c(c3c2)[C@@H](C)CNC4=O)n1 ZINC000028902252 207351395 /nfs/dbraw/zinc/35/13/95/207351395.db2.gz WAJPPCPVOSTBOR-QMMMGPOBSA-N 0 0 384.417 2.510 1 0 GFAFRN COc1cccc(N2CCC(C(=O)Nc3ccc4c(c3)NC(=O)CO4)CC2)c1 ZINC000034613034 207466286 /nfs/dbraw/zinc/46/62/86/207466286.db2.gz XMJLRJGZWLNVQK-UHFFFAOYSA-N 0 0 381.432 2.881 1 0 GFAFRN C[C@@H](c1nc2ccsc2c(=O)n1-c1ccccc1)n1cnc2c1ncnc2N ZINC000043195554 207629803 /nfs/dbraw/zinc/62/98/03/207629803.db2.gz MHPVRYQHDKYIDU-NSHDSACASA-N 0 0 389.444 2.778 1 0 GFAFRN COc1ccc(-c2n[nH]nc2C=C2SC(=N)N(c3nccs3)C2=O)cc1 ZINC000040950387 207615286 /nfs/dbraw/zinc/61/52/86/207615286.db2.gz ZCJGJXBBPRJBCD-QDKNBVMZSA-N 0 0 384.446 2.992 1 0 GFAFRN O=C1Nc2ccc(Br)cc2C(c2ccccc2)=N[C@H]1OCCO ZINC000049088359 207707304 /nfs/dbraw/zinc/70/73/04/207707304.db2.gz XGTTZGULRZEUCT-KRWDZBQOSA-N 0 0 375.222 2.574 1 0 GFAFRN CCO[C@@H]1OCc2c(cc3n(c2=O)Cc2cc4ccccc4nc2-3)[C@@]1(O)CC ZINC000084740046 208097759 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GFAFRN CO[C@H](C(=O)N1Cc2[nH]nc(NC(=O)c3ccccc3)c2C1)c1ccccc1 ZINC000053296739 222009018 /nfs/dbraw/zinc/00/90/18/222009018.db2.gz JVCBQSOUOIKMMH-SFHVURJKSA-N 0 0 376.416 2.892 1 0 GFAFRN COc1ccc(-n2cnn(Cc3ccc(O)c(Br)c3)c2=O)cc1 ZINC000073224413 222269027 /nfs/dbraw/zinc/26/90/27/222269027.db2.gz ZQIFPOGBUYHXMS-UHFFFAOYSA-N 0 0 376.210 2.559 1 0 GFAFRN C[C@]1(c2cc(NC(=O)c3ncc(Cl)cn3)ccc2F)NC(=N)OCC1(F)F ZINC000095604170 222359385 /nfs/dbraw/zinc/35/93/85/222359385.db2.gz CZXDOHMWCZCKBD-OAHLLOKOSA-N 0 0 399.760 2.717 1 0 GFAFRN CC(C)CC(=O)c1ccc2c(c1)C(=CNc1ccc(S(N)(=O)=O)cc1)C(=O)N2 ZINC000013470458 581092673 /nfs/dbraw/zinc/09/26/73/581092673.db2.gz VNLUDQKOXAUGAO-BOPFTXTBSA-N 0 0 399.472 2.968 1 0 GFAFRN CCOC(=O)/C=C1\CN(Cc2ccc(OC)cc2)S(=O)(=O)c2ccccc21 ZINC000015933841 210179583 /nfs/dbraw/zinc/17/95/83/210179583.db2.gz RYQDPHUGUGSNLQ-FOWTUZBSSA-N 0 0 387.457 2.846 3 0 GFAFRN CCOC(=O)c1cc(CCn2cnc3c2NC=NC[C@@H]3O)c2c(c1)CCCC2 ZINC000013861944 210096061 /nfs/dbraw/zinc/09/60/61/210096061.db2.gz CNOMRJLBANYXCZ-SFHVURJKSA-N 0 0 382.464 2.669 1 0 GFAFRN CCCCn1c(Cc2cc(OC)c(OC)c(OC)c2)nc2c1nc(F)nc2N ZINC000013839125 210093575 /nfs/dbraw/zinc/09/35/75/210093575.db2.gz LKXDDJNWYCQBIX-UHFFFAOYSA-N 0 0 389.431 2.964 1 0 GFAFRN C[C@@](O)(C(=O)Nc1ccc(C(=O)NC[C@H]2CCCO2)cc1Cl)C(F)(F)F ZINC000013808716 210091853 /nfs/dbraw/zinc/09/18/53/210091853.db2.gz GAFYAXXDUJHTEI-MEBBXXQBSA-N 0 0 394.777 2.501 1 0 GFAFRN C[C@](O)(C(=O)Nc1ccc(S(=O)(=O)c2ccccc2F)cc1)C(F)(F)F ZINC000013760131 210087417 /nfs/dbraw/zinc/08/74/17/210087417.db2.gz XMTZARBQNINRNK-HNNXBMFYSA-N 0 0 391.342 2.910 1 0 GFAFRN COc1cc(C2=C(c3cn(C)c4ccccc34)C(=O)NC2=O)cc(OC)c1OC ZINC000013681652 210079754 /nfs/dbraw/zinc/07/97/54/210079754.db2.gz WEFVJFWVCGAWFF-UHFFFAOYSA-N 0 0 392.411 2.771 1 0 GFAFRN COC(=O)c1ccc(COc2ccc3c(=O)cc(N4CCOCC4)oc3c2)cc1 ZINC000013677004 210078271 /nfs/dbraw/zinc/07/82/71/210078271.db2.gz TUURETRBVAYEEX-UHFFFAOYSA-N 0 0 395.411 2.995 1 0 GFAFRN O=C1C[C@@]2(C(=O)N1)c1ccccc1C(=O)N2Cc1ccc(Cl)c(Cl)c1 ZINC000013651420 210075393 /nfs/dbraw/zinc/07/53/93/210075393.db2.gz CYCKDKJWDWBQNS-SFHVURJKSA-N 0 0 375.211 2.891 1 0 GFAFRN O=S(=O)(c1cccc(F)c1)N1CCC(CO)(Cc2cccc(F)c2)CC1 ZINC000013659330 210075238 /nfs/dbraw/zinc/07/52/38/210075238.db2.gz HODUMTHYISIETB-UHFFFAOYSA-N 0 0 381.444 2.971 3 0 GFAFRN CCn1cc2c(n1)nc(NC(=O)Cc1ccccc1)n1nc(-c3ccco3)nc21 ZINC000013472373 210063122 /nfs/dbraw/zinc/06/31/22/210063122.db2.gz GXSUORPDPIUXJS-UHFFFAOYSA-N 0 0 387.403 2.935 1 0 GFAFRN CC=C1C(NCC(=O)NCc2ccccc2)=NS(=O)(=O)C1c1ccc(C)cc1 ZINC000009687131 209841751 /nfs/dbraw/zinc/84/17/51/209841751.db2.gz PJHXUCNVYLEYQN-UHFFFAOYSA-N 0 0 397.500 2.764 1 0 GFAFRN CC(=O)O[C@@H]1C[C@@H](C)[C@](O)(CCC2=CC(=O)OC2)[C@@]2(C)[C@H](O)CCC(C)(C)[C@H]12 ZINC000085542455 291118865 /nfs/dbraw/zinc/11/88/65/291118865.db2.gz ZPZIYHULOGDSFI-TUMAWLQPSA-N 0 0 394.508 2.756 1 0 biogenic,in-vitro GFAFRN O=C(NCc1cccs1)C1=CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000005108115 209570667 /nfs/dbraw/zinc/57/06/67/209570667.db2.gz CDAHCPZMEHVVAT-UHFFFAOYSA-N 0 0 380.466 2.524 1 0 GFAFRN Cc1ccc(NC(=O)CN(C)S(=O)(=O)c2cccc3nsnc32)cc1C ZINC000004110468 209464550 /nfs/dbraw/zinc/46/45/50/209464550.db2.gz JPSPRAHCWWNSRJ-UHFFFAOYSA-N 0 0 390.490 2.567 3 0 GFAFRN COc1c(O)cc2c(c1OC)-c1ccc(SC)c(=O)cc1[C@@H](NC=O)CC2 ZINC000001619775 209333541 /nfs/dbraw/zinc/33/35/41/209333541.db2.gz SAZPMYMWVSJZGB-AWEZNQCLSA-N 0 0 387.457 2.892 1 0 GFAFRN CCOP(=O)(CC1CC(O)(CNc2cc(Cl)nc(N)n2)C1)OCC ZINC000001645803 209334936 /nfs/dbraw/zinc/33/49/36/209334936.db2.gz MUNNQJHPDKYJBH-UHFFFAOYSA-N 0 0 378.797 2.531 1 0 GFAFRN CCOc1ccc(-c2nnn(CC(=O)Nc3ccccc3OC)n2)cc1OCC ZINC000000932004 209279954 /nfs/dbraw/zinc/27/99/54/209279954.db2.gz ZQHPPAHNWHYOBT-UHFFFAOYSA-N 0 0 397.435 2.785 3 0 GFAFRN O=c1oc2ncccc2n1CCN1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000000598231 209250315 /nfs/dbraw/zinc/25/03/15/209250315.db2.gz DDPNSZOGLGMFIO-UHFFFAOYSA-N 0 0 392.381 2.831 1 0 GFAFRN COc1ccc(N2C(=S)N=NC2c2csc(N(C(C)=O)C(C)=O)n2)cc1 ZINC000096282324 211329998 /nfs/dbraw/zinc/32/99/98/211329998.db2.gz ZQUCRTOPWQUGSQ-UHFFFAOYSA-N 0 0 389.462 2.588 1 0 GFAFRN CSCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Oc1cccc2oc(=O)[nH]c21 ZINC000095601189 211282800 /nfs/dbraw/zinc/28/28/00/211282800.db2.gz KDJLIPBBVQRRLY-SNVBAGLBSA-N 0 0 382.438 2.673 1 0 GFAFRN COc1ncccc1C(=O)Nc1ccc(Nc2ncnc3nc[nH]c32)c(F)c1 ZINC000095603669 211282365 /nfs/dbraw/zinc/28/23/65/211282365.db2.gz IMSWQUQWARVAHD-UHFFFAOYSA-N 0 0 379.355 2.892 1 0 GFAFRN CN(C)C(=O)c1cc2ncc(C(=O)NCCn3ccc4ccccc43)cc2n1C ZINC000072322796 211090320 /nfs/dbraw/zinc/09/03/20/211090320.db2.gz MXVFQKWLSPSPNF-UHFFFAOYSA-N 0 0 389.459 2.660 2 0 GFAFRN COc1cccc(CCN2COc3cc4c(cc3C2=O)O[C@@H]2CCCN2C4=O)c1 ZINC000072173558 211082027 /nfs/dbraw/zinc/08/20/27/211082027.db2.gz DODHGGIAAMMHOV-HXUWFJFHSA-N 0 0 394.427 2.685 1 0 GFAFRN O=C1c2cccc3c(-n4cc(-c5ccccc5)nn4)ccc(c23)C(=O)N1CCO ZINC000071319293 211045869 /nfs/dbraw/zinc/04/58/69/211045869.db2.gz YMNHPFAIYRQEJR-UHFFFAOYSA-N 0 0 384.395 2.676 1 0 GFAFRN COc1cc([C@@H]2CC(=O)c3c(O)cc(O)cc3O2)cc2c1OC(C)(C)[C@@H](O)C2 ZINC000040848760 210797400 /nfs/dbraw/zinc/79/74/00/210797400.db2.gz HTNJCCKJJVLCTO-YJBOKZPZSA-N 0 0 386.400 2.887 1 0 GFAFRN CC(C)[C@H]1c2[nH]c3ccccc3c2C[C@H]2C(=O)N[C@H](COC(C)(C)C)C(=O)N21 ZINC000026960787 210507383 /nfs/dbraw/zinc/50/73/83/210507383.db2.gz BMEMIDCWPDBZLO-AOIWGVFYSA-N 0 0 383.492 2.932 1 0 GFAFRN CO[C@@H]1Cc2ccccc2N(C(=O)N2CCN(CCO)CC2)c2ccccc21 ZINC000020790539 210361902 /nfs/dbraw/zinc/36/19/02/210361902.db2.gz VIXOPDYUZNXBCD-OAQYLSRUSA-N 0 0 381.476 2.798 3 0 GFAFRN O=C(CCN1C(=O)[C@@H]2[C@@H]3CC[C@@H](C3)[C@@H]2C1=O)Nc1ccc(Br)cc1 ZINC000004845729 551095069 /nfs/dbraw/zinc/09/50/69/551095069.db2.gz WEAKHMUNEQPWFR-CJXOWJITSA-N 0 0 391.265 2.809 1 0 GFAFRN CCCN(CCC)S(=O)(=O)c1ccc(NC(=O)[C@@](C)(O)C(F)(F)F)cc1 ZINC000013905994 210096019 /nfs/dbraw/zinc/09/60/19/210096019.db2.gz JDTLFLIPZWUVRK-OAHLLOKOSA-N 0 0 396.431 2.749 1 0 GFAFRN 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Cc1cc(-c2ccc3nc(Nc4cc[nH]n4)c(-c4nc(C)nc(N)n4)n3c2)ccn1 ZINC000095552659 211276259 /nfs/dbraw/zinc/27/62/59/211276259.db2.gz JLLAMEOULOFCQI-UHFFFAOYSA-N 0 0 398.434 2.914 1 0 GFAFRN NC(=O)c1cn(-c2ccc(S(N)(=O)=O)cc2)nc1-c1ccc(Cl)cc1 ZINC000087612852 211179739 /nfs/dbraw/zinc/17/97/39/211179739.db2.gz WNSMEVLFFWTAQC-UHFFFAOYSA-N 0 0 376.825 2.723 1 0 GFAFRN O=C(NCc1ccccc1)c1ccc(C2=C(Br)C(=O)O[C@H]2O)cc1 ZINC000084687784 211173899 /nfs/dbraw/zinc/17/38/99/211173899.db2.gz MHLSEOBJRKVUBP-QGZVFWFLSA-N 0 0 388.217 2.598 1 0 GFAFRN O=C(Cn1c2ccc(F)cc2c2nc3n(c(=O)c21)CCS3)N1CCCCC1 ZINC000084632333 211172926 /nfs/dbraw/zinc/17/29/26/211172926.db2.gz RKXSEZYCUSBSOU-UHFFFAOYSA-N 0 0 386.452 2.609 1 0 GFAFRN O=C1c2cc3c(cc2O[C@H]2CCCN12)C(=O)N(CCc1cccc(F)c1)CO3 ZINC000072127950 211070954 /nfs/dbraw/zinc/07/09/54/211070954.db2.gz ZIKNBGOCKMBXMD-IBGZPJMESA-N 0 0 382.391 2.815 1 0 GFAFRN C[C@@H]1NC(c2ccc(=O)[nH]c2F)=N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1 ZINC000071295548 211043840 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GFAFRN COc1cccc(C(=O)N2CCC3(CC2)N=C(c2ccc(C)cc2)C(=O)N3)c1 ZINC000020556543 210346343 /nfs/dbraw/zinc/34/63/43/210346343.db2.gz IEQWVBJTVUMVBG-UHFFFAOYSA-N 0 0 377.444 2.555 1 0 GFAFRN O=C(Cn1ncc2c1-c1ccccc1OC2)N1CCN(Cc2ccccc2)CC1 ZINC000020356874 210329552 /nfs/dbraw/zinc/32/95/52/210329552.db2.gz CLNBQLJHHYMCST-UHFFFAOYSA-N 0 0 388.471 2.787 3 0 GFAFRN Cc1nccn1-c1nc(-c2ccc(C)c3[nH]ccc32)nc(N2CCOCC2)n1 ZINC000073224568 136171470 /nfs/dbraw/zinc/17/14/70/136171470.db2.gz JNFCYFOVXWKHNQ-UHFFFAOYSA-N 0 0 375.436 2.659 1 0 GFAFRN CCc1nccn1-c1nc(-c2cccc3[nH]ccc32)nc(N2CCOCC2)n1 ZINC000073224566 136171492 /nfs/dbraw/zinc/17/14/92/136171492.db2.gz KSXKHJWAISWHSH-UHFFFAOYSA-N 0 0 375.436 2.605 1 0 GFAFRN CN1CCN(c2nc(N)nc3c4cc(Br)ccc4sc32)CC1 ZINC000073156181 136171502 /nfs/dbraw/zinc/17/15/02/136171502.db2.gz NZTKTKHFBAIZNM-UHFFFAOYSA-N 0 0 378.299 2.941 1 0 GFAFRN O=S(=O)(c1ccc(F)cc1)c1nc2ccccc2nc1N1CCC(O)CC1 ZINC000084616730 136174969 /nfs/dbraw/zinc/17/49/69/136174969.db2.gz 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Cc1ncccc1-c1nc(C(F)(F)F)cn1-c1ccc(S(N)(=O)=O)cc1 ZINC000013812830 210091934 /nfs/dbraw/zinc/09/19/34/210091934.db2.gz JPWKLILKLRXARO-UHFFFAOYSA-N 0 0 382.367 2.909 1 0 GFAFRN Cc1ccncc1-c1nc(C(F)(F)F)cn1-c1ccc(S(N)(=O)=O)cc1 ZINC000013812832 210092834 /nfs/dbraw/zinc/09/28/34/210092834.db2.gz BQOCVAMTPQJBSF-UHFFFAOYSA-N 0 0 382.367 2.909 1 0 GFAFRN CN(C(=O)N1CCOCC1)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1 ZINC000013682612 210079307 /nfs/dbraw/zinc/07/93/07/210079307.db2.gz LJBCGIRJLVWEEJ-UHFFFAOYSA-N 0 0 386.292 2.887 1 0 GFAFRN COc1ccccc1CNC(=O)[C@@H]1C[C@H]2Cn3c4ccccc4nc3[C@@H]2N1C ZINC000013660622 210075294 /nfs/dbraw/zinc/07/52/94/210075294.db2.gz RLLCPUKXIYNIII-ZAAXVRCTSA-N 0 0 376.460 2.736 3 0 GFAFRN CNC(=O)C1=Cc2ccc(OC)cc2O[C@@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000013553846 210067181 /nfs/dbraw/zinc/06/71/81/210067181.db2.gz AMZQCHSWYXTZOT-LJQANCHMSA-N 0 0 385.416 2.984 1 0 GFAFRN C[C@H]([NH2+]CCc1ccc(OCC(=O)[O-])c(Cl)c1)[C@@H](O)c1ccc(O)cc1 ZINC000011422461 209873693 /nfs/dbraw/zinc/87/36/93/209873693.db2.gz YNCNZXJRRRALAJ-HXPMCKFVSA-N 0 0 379.840 2.763 1 0 GFAFRN COC(=O)[C@@H]1CCC(=O)N1[C@@H](c1ccc(OC)cc1)c1ccc2c(c1)OCO2 ZINC000001645077 209335982 /nfs/dbraw/zinc/33/59/82/209335982.db2.gz NIUHAHUFZKQQOF-JXFKEZNVSA-N 0 0 383.400 2.677 1 0 GFAFRN COC(=O)[C@@]1(C)N[C@@H](c2ccc(C)cc2)[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]21 ZINC000169355867 211638368 /nfs/dbraw/zinc/63/83/68/211638368.db2.gz XWKQYSFFCKQMDI-QLDGJZPUSA-N 0 0 396.418 2.516 1 0 GFAFRN CCOC(=O)[C@@]1(CC)N[C@@H](c2ccco2)[C@@H]2C(=O)N(c3ccc(C)cc3)C(=O)[C@@H]21 ZINC000169363823 211637707 /nfs/dbraw/zinc/63/77/07/211637707.db2.gz YIKURKMRWAQOKN-QLDGJZPUSA-N 0 0 396.443 2.750 1 0 GFAFRN O=C(NCCc1ccccc1)c1c(-c2ccccc2)[n+]([O-])c2ccccc2[n+]1[O-] ZINC000102236968 211408656 /nfs/dbraw/zinc/40/86/56/211408656.db2.gz BXLRPPDBZUOYCD-UHFFFAOYSA-N 0 0 385.423 2.746 1 0 GFAFRN COc1ccc2nc(Cl)c([C@@H]3SC(NC(C)=O)=NN3C(C)=O)cc2c1 ZINC000098083281 211377768 /nfs/dbraw/zinc/37/77/68/211377768.db2.gz PGDLNNVODNXAPL-HNNXBMFYSA-N 0 0 378.841 2.898 1 0 GFAFRN CC(C)NC(=O)c1nn(-c2ccc(OCCF)cc2)c(=O)c2c(N)scc21 ZINC000096929710 211352465 /nfs/dbraw/zinc/35/24/65/211352465.db2.gz YQOKUJTYFHYECM-UHFFFAOYSA-N 0 0 390.440 2.516 1 0 GFAFRN Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)C(=O)N(N2CCCCC2)C3=O)cc1 ZINC000095603534 211281756 /nfs/dbraw/zinc/28/17/56/211281756.db2.gz WPCAZQOIVASKMV-UHFFFAOYSA-N 0 0 399.472 2.793 1 0 GFAFRN CN1C(=O)N(CC(F)(F)F)C[C@H]1C(=O)NCc1ccc(Cl)cc1Cl ZINC000095552729 211277623 /nfs/dbraw/zinc/27/76/23/211277623.db2.gz OZEVWMNUYZWROE-NSHDSACASA-N 0 0 384.185 2.908 1 0 GFAFRN COc1cc(-c2cn([C@H]3CC(C)(C)CCNC3=O)nn2)ccc1-n1cnc(C)c1 ZINC000084633622 211172312 /nfs/dbraw/zinc/17/23/12/211172312.db2.gz TZFGTKRUKLTQQK-SFHVURJKSA-N 0 0 394.479 2.925 1 0 GFAFRN C[C@]1(c2ccccc2)Sc2nncn2N=C1c1ccc2c(c1)NC(=O)CO2 ZINC000082151834 211163714 /nfs/dbraw/zinc/16/37/14/211163714.db2.gz KPJQPEQKKOQWEV-LJQANCHMSA-N 0 0 377.429 2.883 1 0 GFAFRN CCOC(=O)CN1C(=O)N[C@@H](c2cccc(C(F)(F)F)c2)[C@H](C(C)=O)[C@@H]1C ZINC000072135899 211073960 /nfs/dbraw/zinc/07/39/60/211073960.db2.gz FUPAQXIAYSURIA-HNHYXYPQSA-N 0 0 386.370 2.929 1 0 GFAFRN CC1(C)Oc2cc(O)ccc2[C@H]2C1=CCn1c(=O)n(C3CCCCC3)c(=O)n12 ZINC000072108954 211069739 /nfs/dbraw/zinc/06/97/39/211069739.db2.gz QNTGEZMPTHLOLQ-SFHVURJKSA-N 0 0 383.448 2.723 1 0 GFAFRN COc1cc(-c2nc3c4n(c(=O)n(Cc5ccccc5)c-3n2)C[C@H](C)N4)on1 ZINC000072108906 211069356 /nfs/dbraw/zinc/06/93/56/211069356.db2.gz TZUCWLTXMJAOCP-NSHDSACASA-N 0 0 378.392 2.664 1 0 GFAFRN CC(C)(C)c1csc(NC(=O)N2CCCN(C(=O)C3CCOCC3)CC2)n1 ZINC000071317794 211044951 /nfs/dbraw/zinc/04/49/51/211044951.db2.gz SARAENXTDJVVCO-UHFFFAOYSA-N 0 0 394.541 2.933 1 0 GFAFRN Cc1ccc(C(=O)Nc2n[nH]c3c2CN(C(=O)[C@@H](O)c2ccccc2)C3)cc1 ZINC000053243940 210871133 /nfs/dbraw/zinc/87/11/33/210871133.db2.gz ATBRVKDCKYBWNX-SFHVURJKSA-N 0 0 376.416 2.546 1 0 GFAFRN [NH3+][C@H](Cc1cc(Cl)c(Cl)c(-c2cccc(-c3nn[nH]n3)c2)c1)C(=O)[O-] ZINC000045349476 210825131 /nfs/dbraw/zinc/82/51/31/210825131.db2.gz LRMSVXGHFASGAY-CYBMUJFWSA-N 0 0 378.219 2.795 1 0 GFAFRN O=C(Nc1cccnn1)N1CCN(c2nccc(-c3ccc(F)cc3F)n2)CC1 ZINC000059151413 136155615 /nfs/dbraw/zinc/15/56/15/136155615.db2.gz JQERCZLQLVZUAJ-UHFFFAOYSA-N 0 0 397.389 2.566 1 0 GFAFRN Cc1ccc(CN2C(=O)[C@@H](CC(C)C)Nc3ncnc(N4CCOCC4)c32)cc1 ZINC000061959678 136156155 /nfs/dbraw/zinc/15/61/55/136156155.db2.gz BPIKNRIPVICKFE-GOSISDBHSA-N 0 0 395.507 2.995 3 0 GFAFRN CC(=O)NCc1cc(-c2cc3nc(NC4CC4)c4ncn(C)c4n3n2)ccc1F ZINC000040952596 221935812 /nfs/dbraw/zinc/93/58/12/221935812.db2.gz VBGRSDHDLOPNMH-UHFFFAOYSA-N 0 0 393.426 2.633 1 0 GFAFRN CCNC(=O)N1CCN([C@@H](c2cncnc2)c2ccc(Cl)cc2F)CC1 ZINC000072103361 222205149 /nfs/dbraw/zinc/20/51/49/222205149.db2.gz INDBWMVRQCGEDA-KRWDZBQOSA-N 0 0 377.851 2.706 1 0 GFAFRN COc1cc(O)c(-c2oc3cc(OC)c(OC)c(O)c3c(=O)c2OC)cc1O ZINC000015271494 560230103 /nfs/dbraw/zinc/23/01/03/560230103.db2.gz KMDMMDZJQFJXCU-UHFFFAOYSA-N 0 0 390.344 2.611 1 0 biogenic,in-vitro GFAFRN O=C([C@H](Cc1ccccc1)N1C(=O)[C@H]2[C@H]3C=C[C@H](C3)[C@@H]2C1=O)N1CCCCCC1 ZINC000007991635 570520619 /nfs/dbraw/zinc/52/06/19/570520619.db2.gz OHDRKYIAFNMZNY-SSTJLMRISA-N 0 0 392.499 2.807 1 0 GFAFRN COc1cc2c(cc1OC)[C@@H]1O[C@@H](O)c3c4c(ccc3[C@@H]1N(C)CC2)OCO4 ZINC000015257511 571737891 /nfs/dbraw/zinc/73/78/91/571737891.db2.gz XYWRZQQANNOTTD-IRFCIJBXSA-N 0 0 385.416 2.724 1 0 endogenous,in-man GFAFRN COc1cc2c(cc1OC)[C@H]1O[C@H](O)c3c4c(ccc3[C@@H]1N(C)CC2)OCO4 ZINC000100771617 571814029 /nfs/dbraw/zinc/81/40/29/571814029.db2.gz XYWRZQQANNOTTD-ZVDOUQERSA-N 0 0 385.416 2.724 1 0 endogenous,in-man GFAFRN COC[C@@H](CO)N1CCN(C2=Nc3ccccc3Sc3ccccc32)CC1 ZINC000013861686 210095694 /nfs/dbraw/zinc/09/56/94/210095694.db2.gz LXKHZIVVODUPIX-MRXNPFEDSA-N 0 0 383.517 2.854 1 0 GFAFRN NC(=[NH2+])c1ccc(CCCCC(=O)N[C@H](CC(=O)[O-])Cc2ccccc2)cc1 ZINC000013741893 210088570 /nfs/dbraw/zinc/08/85/70/210088570.db2.gz IKKGAXSNUUBAFD-IBGZPJMESA-N 0 0 381.476 2.886 1 0 GFAFRN Cn1c2cc3cc(OCCCS(=O)(=O)c4ccccc4)ccc3[nH]c-2nc1=O ZINC000013725745 210084619 /nfs/dbraw/zinc/08/46/19/210084619.db2.gz NHSCJGOJCUSYKC-UHFFFAOYSA-N 0 0 397.456 2.658 1 0 GFAFRN C[C@]1(O)OC(=O)C(c2cc(F)cc(F)c2)=C1c1ccc(S(C)(=O)=O)cc1 ZINC000013488610 210063651 /nfs/dbraw/zinc/06/36/51/210063651.db2.gz KRTQGUUHKYUHLI-SFHVURJKSA-N 0 0 380.368 2.544 1 0 GFAFRN COCCNC(=O)C1CCN(c2nc3ccccc3nc2C(F)(F)F)CC1 ZINC000008599935 209788454 /nfs/dbraw/zinc/78/84/54/209788454.db2.gz ZYNGFEFDNZOFJY-UHFFFAOYSA-N 0 0 382.386 2.628 1 0 GFAFRN COc1cc2oc(=O)ccc2cc1[C@@H](OC(=O)CC(C)C)[C@H](O)C(C)(C)O ZINC000014589869 291122013 /nfs/dbraw/zinc/12/20/13/291122013.db2.gz WPJFTNISWIMPLM-MOPGFXCFSA-N 0 0 378.421 2.564 1 0 biogenic,in-vitro GFAFRN CC(C)(C)NC(=O)[C@H]1CCCN(S(=O)(=O)c2cccc3cccnc32)C1 ZINC000002928896 209398047 /nfs/dbraw/zinc/39/80/47/209398047.db2.gz WBAVCJQQCFWSHL-HNNXBMFYSA-N 0 0 375.494 2.550 3 0 aggregator GFAFRN COC(=O)Cc1c2ccccc2[nH]c1C1=Nc2ccccc2[C@@]1(O)CC(=O)OC ZINC000001858480 209340755 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O=C(Nc1cc(-c2ccccc2)on1)N1CCCN(C(=O)C2CCOCC2)CC1 ZINC000071318198 211045229 /nfs/dbraw/zinc/04/52/29/211045229.db2.gz LZTAORLDFXDEFJ-UHFFFAOYSA-N 0 0 398.463 2.834 1 0 GFAFRN CCOC(=O)Nc1ccc(NC(=S)NCc2nc(Cl)cnc2N)cc1 ZINC000071294824 211043416 /nfs/dbraw/zinc/04/34/16/211043416.db2.gz MJLYWJVCOTUCNN-UHFFFAOYSA-N 0 0 380.861 2.767 1 0 GFAFRN CCc1nn(CCO)c(NS(C)(=O)=O)c1Cc1cc(Cl)cc(Cl)c1 ZINC000045261755 210823307 /nfs/dbraw/zinc/82/33/07/210823307.db2.gz KVNSVXUHXFOGEH-UHFFFAOYSA-N 0 0 392.308 2.707 1 0 GFAFRN O=C(Nc1cnccn1)Nc1ccnc2ccc(N3C[C@@H]4COC[C@@H]4C3)cc21 ZINC000043208202 210808198 /nfs/dbraw/zinc/80/81/98/210808198.db2.gz VEZQCXWMPWTPJL-OKILXGFUSA-N 0 0 376.420 2.751 1 0 GFAFRN CCN1C(=O)[C@H]2[C@@H](c3ccc(-c4ccccc4)cc3)N[C@@](C)(C(=O)OC)[C@H]2C1=O ZINC000036386423 210726103 /nfs/dbraw/zinc/72/61/03/210726103.db2.gz WWVRPXVHUNSBRE-FZONSQQESA-N 0 0 392.455 2.551 3 0 GFAFRN CC(=O)Nc1ccc(Cn2cnc3c2nc(C(F)(F)F)nc3N(C)C)cc1 ZINC000029475021 210548156 /nfs/dbraw/zinc/54/81/56/210548156.db2.gz LFHZZFFLHZSGOF-UHFFFAOYSA-N 0 0 378.358 2.918 1 0 GFAFRN Nc1nc2ncn(Cc3ccc(NC(=O)c4ccc(Cl)cc4)cc3)c2c(=O)[nH]1 ZINC000027182107 210512104 /nfs/dbraw/zinc/51/21/04/210512104.db2.gz WTMPTPFAYWCQMZ-UHFFFAOYSA-N 0 0 394.822 2.656 1 0 GFAFRN CC(C)(C)N1C[C@@H](COc2ccc3cc(S(N)(=O)=O)sc3c2)OC1=O ZINC000026573274 210500937 /nfs/dbraw/zinc/50/09/37/210500937.db2.gz HEHIPOFBOLMAIM-LBPRGKRZSA-N 0 0 384.479 2.547 1 0 GFAFRN CCOC(=O)[C@H](C(=S)Nc1ccccc1)c1nn2c(nc(C)cc2=O)s1 ZINC000005830930 220902347 /nfs/dbraw/zinc/90/23/47/220902347.db2.gz GVVIGULNRXKJEI-CYBMUJFWSA-N 0 0 388.474 2.546 1 0 GFAFRN CC(C)C[C@H]1Nc2ncnc(N3CCOCC3)c2N(Cc2ccccc2)C1=O ZINC000061959699 136156260 /nfs/dbraw/zinc/15/62/60/136156260.db2.gz JXSVZYKHJHDEPQ-QGZVFWFLSA-N 0 0 381.480 2.687 3 0 GFAFRN CN1CCN(c2nc(N)nc3c4ccc(Br)cc4sc32)CC1 ZINC000073168486 136171433 /nfs/dbraw/zinc/17/14/33/136171433.db2.gz NKCONADKOQDWAP-UHFFFAOYSA-N 0 0 378.299 2.941 1 0 GFAFRN O=C(Nc1cccnn1)N1CCN(c2ccnc(-c3ccc(F)cc3F)n2)CC1 ZINC000103267350 136191019 /nfs/dbraw/zinc/19/10/19/136191019.db2.gz QFUCAWHTBMOGCZ-UHFFFAOYSA-N 0 0 397.389 2.566 1 0 GFAFRN CS(=O)(=O)N1CCC([C@@](O)(c2ccc(Cl)cc2)c2cccnc2)CC1 ZINC000072103152 222205606 /nfs/dbraw/zinc/20/56/06/222205606.db2.gz JJZCZBVWCVYBTR-SFHVURJKSA-N 0 0 380.897 2.643 1 0 GFAFRN COc1cc2cc(N(C)CCCNC(=O)[C@@H]3CCCO3)cc(N)c2cc1OC ZINC000008672949 560210775 /nfs/dbraw/zinc/21/07/75/560210775.db2.gz JOMJHJFVTAYZAM-SFHVURJKSA-N 0 0 387.480 2.561 1 0 in-vitro GFAFRN C/C=C(/C)C(=O)O[C@H]1C2=C(C)C(=O)O[C@@]2(OC)C[C@H]2CC[C@@H](O)[C@@H](C)[C@]21C ZINC000014782164 571723947 /nfs/dbraw/zinc/72/39/47/571723947.db2.gz BMPRGPGLZWJNOP-BSYGKTNSSA-N 0 0 378.465 2.897 1 0 endogenous,in-man GFAFRN CS(=O)(=O)c1ccc2nc(-n3ccnc3)nc(NCc3ccccc3)c2c1 ZINC000013743207 210088757 /nfs/dbraw/zinc/08/87/57/210088757.db2.gz YZZFDPDWVRCWQB-UHFFFAOYSA-N 0 0 379.445 2.831 1 0 GFAFRN CN1CCN(C(=O)[C@H]2C[C@H]3[C@@H]4CCc5cc(O)ccc5[C@H]4CC[C@]3(C)[C@H]2O)CC1 ZINC000013681810 210079868 /nfs/dbraw/zinc/07/98/68/210079868.db2.gz VNXBDWUNAYPTRF-MLPUIEGLSA-N 0 0 398.547 2.609 1 0 GFAFRN CCOC(=O)c1[nH]c2ccc(CCN3C(=O)CNC3=O)cc2c1-c1ccncc1 ZINC000013605932 210072116 /nfs/dbraw/zinc/07/21/16/210072116.db2.gz DCAYGRUBXWPENU-UHFFFAOYSA-N 0 0 392.415 2.501 1 0 GFAFRN CN1CC2=C(C1=O)[C@H](c1ccc(F)c(Br)c1)C1=C(COCC1=O)N2 ZINC000013580074 210069196 /nfs/dbraw/zinc/06/91/96/210069196.db2.gz QFXIUFRNBCMKGP-CQSZACIVSA-N 0 0 393.212 2.695 1 0 GFAFRN C=C1C(=O)O[C@@H]2[C@H]3C(C)=C(Cl)C(=O)C3=C(C)C[C@@H](OC(=O)[C@]3(C)O[C@@H]3C)[C@@H]12 ZINC000013386261 291117946 /nfs/dbraw/zinc/11/79/46/291117946.db2.gz RRLBJDXMEHIJNG-AVVHFEGISA-N 0 0 392.835 2.605 1 0 biogenic GFAFRN COc1cccc([C@H]2C[C@@H](c3ccc(OC)c(OC)c3OC)n3nnnc3N2)c1 ZINC000002916553 209397443 /nfs/dbraw/zinc/39/74/43/209397443.db2.gz AYHYWZFNIFXQEH-CVEARBPZSA-N 0 0 397.435 2.854 1 0 GFAFRN NC(=O)c1cc(I)ccc1NC(=O)CCc1ccccc1 ZINC000096923731 211352784 /nfs/dbraw/zinc/35/27/84/211352784.db2.gz LIWFXFAWCAUFBU-UHFFFAOYSA-N 0 0 394.212 2.961 1 0 GFAFRN Cc1noc(-c2cnn3c2n[n+]([O-])c2ccc(OCc4cccs4)cc23)n1 ZINC000095602521 211282564 /nfs/dbraw/zinc/28/25/64/211282564.db2.gz NOCMMQQIHSMLKH-UHFFFAOYSA-N 0 0 380.389 2.515 1 0 GFAFRN CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)Oc1cccc2oc(=O)[nH]c21 ZINC000095601188 211281835 /nfs/dbraw/zinc/28/18/35/211281835.db2.gz KDJLIPBBVQRRLY-JTQLQIEISA-N 0 0 382.438 2.673 1 0 GFAFRN O=C(N[C@H]1CCC[C@@H](C(=O)N2CCOCC2)C1)NC12CC3CC(CC(C3)C1)C2 ZINC000084758401 211176580 /nfs/dbraw/zinc/17/65/80/211176580.db2.gz WOWHTGZSYYPCMC-COZJESOBSA-N 0 0 389.540 2.672 1 0 GFAFRN COc1ccc2c(c1)C1=NN(C(=O)CO)[C@@H](c3ccc(OC)c(F)c3)[C@H]1CC2 ZINC000084757602 211174658 /nfs/dbraw/zinc/17/46/58/211174658.db2.gz MFOQOEQVAJMYLB-BTYIYWSLSA-N 0 0 384.407 2.685 1 0 GFAFRN Cc1ccc(C2=Nn3c(Cc4ccc(S(C)(=O)=O)cc4)nnc3SC2)cc1 ZINC000084652694 211172430 /nfs/dbraw/zinc/17/24/30/211172430.db2.gz NQEMLFVEDAFRDB-UHFFFAOYSA-N 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ZINC000071295555 211043673 /nfs/dbraw/zinc/04/36/73/211043673.db2.gz JQQXUGWNTUCGOI-UHFFFAOYSA-N 0 0 385.471 2.767 1 0 GFAFRN O=C(Cc1ccc(Br)cc1)N1CCc2cccc3c2[C@H]1CNC3=O ZINC000043178839 210808174 /nfs/dbraw/zinc/80/81/74/210808174.db2.gz PVEJMVVRBFYQAK-MRXNPFEDSA-N 0 0 385.261 2.861 1 0 GFAFRN CCCCNC(=O)N1N=C(c2cccc(N)c2)c2cc3c(cc2CC1=O)OCO3 ZINC000027517882 210513390 /nfs/dbraw/zinc/51/33/90/210513390.db2.gz ZRXIVFRCSHSSHV-UHFFFAOYSA-N 0 0 394.431 2.644 1 0 GFAFRN CCC(CC)O[C@H]1C(=O)N2C(C(=O)OC(C)(C)C)=C(COC(C)=O)CS[C@H]12 ZINC000026567970 210501895 /nfs/dbraw/zinc/50/18/95/210501895.db2.gz IIWGTNBXQDQDPK-DOTOQJQBSA-N 0 0 399.509 2.634 1 0 GFAFRN Cn1ccc(=O)c2cc(N)c(N3CCN(c4nc5ccccc5o4)CC3)cc21 ZINC000040392890 132404205 /nfs/dbraw/zinc/40/42/05/132404205.db2.gz RVDAWIZVBURQKY-UHFFFAOYSA-N 0 0 375.432 2.589 1 0 GFAFRN Cc1nc2n(c1C(=O)N1CCOCC1)CCC(=O)N2c1c(C)cc(C)cc1C ZINC000049112225 132436381 /nfs/dbraw/zinc/43/63/81/132436381.db2.gz SOHFBZYTLOBPAW-UHFFFAOYSA-N 0 0 382.464 2.658 1 0 GFAFRN COc1ccccc1N1CCN([C@@H]2CCCN(C(=O)c3cscn3)C2)CC1 ZINC000061969848 537068856 /nfs/dbraw/zinc/06/88/56/537068856.db2.gz JWAMHIZLWHNYJS-MRXNPFEDSA-N 0 0 386.521 2.579 3 0 GFAFRN C=C1C(=O)O[C@@H]2[C@H]3C(C)=C(Cl)C(=O)C3=C(C)C[C@@H](OC(=O)[C@]3(C)O[C@H]3C)[C@@H]12 ZINC000013386262 291117949 /nfs/dbraw/zinc/11/79/49/291117949.db2.gz RRLBJDXMEHIJNG-LEAIJPJVSA-N 0 0 392.835 2.605 1 0 biogenic GFAFRN COc1c2ccoc2c(OC[C@H](OC(C)=O)C(C)(C)O)c2oc(=O)ccc12 ZINC000013380834 291121186 /nfs/dbraw/zinc/12/11/86/291121186.db2.gz LCMMQFCZXXSQDH-ZDUSSCGKSA-N 0 0 376.361 2.629 1 0 biogenic,in-vitro GFAFRN COc1cc(C[C@@H]2COC(=O)[C@H]2Cc2ccc(O)c(OC)c2)cc2c1OCO2 ZINC000014646791 291121474 /nfs/dbraw/zinc/12/14/74/291121474.db2.gz FZFUSCRYZHVQNP-CABCVRRESA-N 0 0 386.400 2.713 1 0 biogenic,in-vitro GFAFRN CCOC(=O)c1cccn1S(=O)(=O)c1cc(Cl)ccc1NC(=O)CC ZINC000001654003 212144368 /nfs/dbraw/zinc/14/43/68/212144368.db2.gz UCQSWSSAMLXKRN-UHFFFAOYSA-N 0 0 384.841 2.904 1 0 GFAFRN 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O=c1cc(N2CCOCC2)nc(Cc2nc3c(cccc3-c3ccccc3)[nH]2)[nH]1 ZINC000084759461 136175298 /nfs/dbraw/zinc/17/52/98/136175298.db2.gz WOQUVNKDDWFSGT-UHFFFAOYSA-N 0 0 387.443 2.741 1 0 GFAFRN C[C@H](S(=O)(=O)c1ccc(OC(F)(F)F)cc1)S(=O)(=O)C(F)(F)F ZINC000026024602 221634493 /nfs/dbraw/zinc/63/44/93/221634493.db2.gz FXJXGPQDWAZHPA-ZCFIWIBFSA-N 0 0 386.291 2.640 1 0 GFAFRN O=C([O-])c1cn(C2CC2)c2c(F)c(N3CC[C@]4(CCC[NH2+]4)C3)c(F)cc2c1=O ZINC000026376939 221640138 /nfs/dbraw/zinc/64/01/38/221640138.db2.gz LIEVRCWTSGGDMG-HXUWFJFHSA-N 0 0 389.402 2.645 1 0 GFAFRN CC[C@H]1C(=O)OCc2c(=O)n3c(c(C(=O)OC)c21)[C@@H]1Cc2ccccc2C[C@@H]1C3 ZINC000027420662 221653017 /nfs/dbraw/zinc/65/30/17/221653017.db2.gz ZBPGREPSDSAIEH-BZUAXINKSA-N 0 0 393.439 2.698 1 0 GFAFRN COC[C@@H]1NS(=O)(=O)c2ccc(Br)cc2O[C@H]1c1ccccc1 ZINC000061931068 222064762 /nfs/dbraw/zinc/06/47/62/222064762.db2.gz RJPQTKBHZHQVFS-BBRMVZONSA-N 0 0 398.278 2.876 3 0 GFAFRN C=CC(=O)N1CCc2c(sc3ncnc(N[C@H](CO)c4ccccc4)c32)C1 ZINC000064526855 222072694 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COc1cccc(-n2c(O)c3nc4ccccc4c-3nc2SCC(N)=O)c1 ZINC000100086834 222455362 /nfs/dbraw/zinc/45/53/62/222455362.db2.gz CQXQKLWYVHXCRW-UHFFFAOYSA-N 0 0 380.429 2.817 1 0 GFAFRN Cc1ccc([C@@H]2CC(=O)C[C@@H](c3ccc(C)cc3)C23C(=O)NC(=O)NC3=O)cc1 ZINC000001860520 212258767 /nfs/dbraw/zinc/25/87/67/212258767.db2.gz RBIQWIHZDUHBLC-OALUTQOASA-N 0 0 390.439 2.886 1 0 GFAFRN COc1ccc(-n2c(=O)n(-c3ccccc3)c(=O)n2-c2ccc(OC)cc2)cc1 ZINC000001652595 212252409 /nfs/dbraw/zinc/25/24/09/212252409.db2.gz YHNLCRCLYNKSLY-UHFFFAOYSA-N 0 0 389.411 2.796 1 0 GFAFRN C[C@H](Cc1ccc(OCS(=O)(=O)[O-])cc1)[NH2+]C[C@H](O)c1cccc(Cl)c1 ZINC000001543894 212248622 /nfs/dbraw/zinc/24/86/22/212248622.db2.gz JNLNXPCQHIQTRM-ACJLOTCBSA-N 0 0 399.896 2.818 1 0 GFAFRN CCc1nnc(NC(=O)c2ccc(S(=O)(=O)NC3CCCCC3)cc2)s1 ZINC000001324666 212235939 /nfs/dbraw/zinc/23/59/39/212235939.db2.gz FFUDCAHDJPGDDO-UHFFFAOYSA-N 0 0 394.522 2.964 3 0 aggregator GFAFRN CCOc1ccccc1NC(=O)NC1(C(=O)N2CCOCC2)CCCCC1 ZINC000001344873 212236930 /nfs/dbraw/zinc/23/69/30/212236930.db2.gz RVWJCMRRMCBAKG-UHFFFAOYSA-N 0 0 375.469 2.769 3 0 GFAFRN Cc1ccc(-c2nc(C(F)(F)F)cn2-c2ccc(S(N)(=O)=O)cc2)cn1 ZINC000000841380 212188370 /nfs/dbraw/zinc/18/83/70/212188370.db2.gz FVYLDRLDRJJWDM-UHFFFAOYSA-N 0 0 382.367 2.909 1 0 GFAFRN CC(=O)N1CCSc2ccc(S(=O)(=O)NCCc3ccc(C)cc3)cc21 ZINC000006892664 220975720 /nfs/dbraw/zinc/97/57/20/220975720.db2.gz CNINCCFOLKJUNS-UHFFFAOYSA-N 0 0 390.530 2.975 3 0 GFAFRN C[C@@H]([NH2+]CCc1ccc(OCC(=O)[O-])c(Cl)c1)[C@@H](O)c1ccc(O)cc1 ZINC000011422463 221115786 /nfs/dbraw/zinc/11/57/86/221115786.db2.gz YNCNZXJRRRALAJ-CWTRNNRKSA-N 0 0 379.840 2.763 1 0 GFAFRN CCCn1c2nc(C(C3CC3)C3CC3)n(C(=O)OC)c2c(=O)n(CCC)c1=O ZINC000012405432 221188957 /nfs/dbraw/zinc/18/89/57/221188957.db2.gz NRKQQIAUTZNVFE-UHFFFAOYSA-N 0 0 388.468 2.698 1 0 GFAFRN CCCn1c2nc3n(c2c(=O)n(CCC)c1=O)CCCN3CCc1ccccc1 ZINC000013554888 221272916 /nfs/dbraw/zinc/27/29/16/221272916.db2.gz HXBXPNDMSXEMNX-UHFFFAOYSA-N 0 0 395.507 2.633 1 0 GFAFRN COc1ccc2c(c1)[nH]c(CC=C(C)C)c2C[C@@H]1NC(=O)[C@H]2CCCN2C1=O ZINC000014824010 221317908 /nfs/dbraw/zinc/31/79/08/221317908.db2.gz XNRPVPHNDQHWLJ-VQTJNVASSA-N 0 0 381.476 2.717 1 0 GFAFRN CC(=O)Nc1cc2c(c(NC(C)=O)n1)N=C(c1ccccc1)[C@@H](C)N2C(C)=O ZINC000026397537 221640207 /nfs/dbraw/zinc/64/02/07/221640207.db2.gz YHYHQWNRXSSJJL-LLVKDONJSA-N 0 0 379.420 2.874 1 0 GFAFRN COC(=O)C[C@@H]1c2ccc(Cl)cc2NC(=O)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000027082428 221650361 /nfs/dbraw/zinc/65/03/61/221650361.db2.gz UDJFUPPIMHPAPB-RHSMWYFYSA-N 0 0 393.848 2.781 1 0 GFAFRN CC(C)C(=O)OC[C@@]1(CO)C/C(=C/c2ccc(Br)cc2)C(=O)O1 ZINC000040380734 221921347 /nfs/dbraw/zinc/92/13/47/221921347.db2.gz CJYZNEIGDXRQIW-FUIJVIPGSA-N 0 0 383.238 2.710 1 0 GFAFRN CCOC(=O)C[C@H]1c2cc(Br)ccc2OC(N)=C1C(=O)OCC ZINC000042922088 221944711 /nfs/dbraw/zinc/94/47/11/221944711.db2.gz HRUCPMAUFWZHHA-NSHDSACASA-N 0 0 384.226 2.612 1 0 GFAFRN COc1ccc(C2=NN(C(=O)[C@@H](C)O[N+](=O)[O-])[C@@H](c3ccco3)C2)cc1OC ZINC000043025799 221946304 /nfs/dbraw/zinc/94/63/04/221946304.db2.gz AFUCNBDQRGAISC-BXUZGUMPSA-N 0 0 389.364 2.571 1 0 GFAFRN COc1ccc2c(c1)CCc1cnc(Nc3ccc(S(N)(=O)=O)cc3)nc1-2 ZINC000049785840 222002345 /nfs/dbraw/zinc/00/23/45/222002345.db2.gz LZHPQDAZPOPFGO-UHFFFAOYSA-N 0 0 382.445 2.642 1 0 GFAFRN Cc1cc(NC(=O)C2=C3N=C(c4cccs4)C=C(C(F)(F)F)N3NC2)no1 ZINC000049783816 222003048 /nfs/dbraw/zinc/00/30/48/222003048.db2.gz IJNTWIFESBAWCT-UHFFFAOYSA-N 0 0 395.366 2.964 1 0 GFAFRN COc1cc2c(cc1OC)C(=O)N1C=C(c3ccc(C(N)=O)cc3)C[C@H]1C=N2 ZINC000049808674 222003182 /nfs/dbraw/zinc/00/31/82/222003182.db2.gz JYZWIFXQAUBCLA-HNNXBMFYSA-N 0 0 377.400 2.774 1 0 GFAFRN O=C1OCC(CN2CCC(n3c(=O)[nH]c4ccccc43)CC2)=C1c1ccccc1 ZINC000052538799 222006396 /nfs/dbraw/zinc/00/63/96/222006396.db2.gz BKVUTIBFSDLXMN-UHFFFAOYSA-N 0 0 389.455 2.977 1 0 GFAFRN Cc1ccc2c(c1)[C@@H]1[C@H](CO2)[C@H](c2ccccc2)[C@@]2(C)C(=O)N[C@H](C)C(=O)N12 ZINC000061949430 222064507 /nfs/dbraw/zinc/06/45/07/222064507.db2.gz SQEALOQDYLKKJM-AVGVHVDKSA-N 0 0 376.456 2.948 3 0 GFAFRN CS(=O)(=O)c1ccc(C2=NN(C(N)=S)[C@@H](c3ccc(F)cc3)C2)cc1 ZINC000066260221 222139319 /nfs/dbraw/zinc/13/93/19/222139319.db2.gz HKZUQQZYMINJRP-MRXNPFEDSA-N 0 0 377.466 2.624 1 0 GFAFRN O=CN(O)C[C@@H](CC1CCCC1)C(=O)N1CCCN1C(=O)Nc1ccccc1 ZINC000069058755 222173655 /nfs/dbraw/zinc/17/36/55/222173655.db2.gz NGIQPJZGWSFSRO-QGZVFWFLSA-N 0 0 388.468 2.712 1 0 GFAFRN CC1(C)Oc2cc(F)ccc2[C@H]2C1=CCn1c(=O)n(-c3ccccc3)c(=O)n12 ZINC000072109084 222205490 /nfs/dbraw/zinc/20/54/90/222205490.db2.gz OUJCPQQANJSWNM-SFHVURJKSA-N 0 0 379.391 2.640 1 0 GFAFRN CCNC(=O)N1CCN([C@H](c2cncnc2)c2ccc(Cl)cc2F)CC1 ZINC000072103360 222206319 /nfs/dbraw/zinc/20/63/19/222206319.db2.gz INDBWMVRQCGEDA-QGZVFWFLSA-N 0 0 377.851 2.706 1 0 GFAFRN C[C@](O)(CN(C1CC1)S(=O)(=O)c1ccc(O)cc1)c1c(F)cccc1F ZINC000072124570 222208100 /nfs/dbraw/zinc/20/81/00/222208100.db2.gz HQFAKOFDCPYPMP-SFHVURJKSA-N 0 0 383.416 2.731 1 0 GFAFRN COc1ccc2c(c1)CCN(S(N)(=O)=O)[C@@H]2c1ccc(Br)cc1 ZINC000073159315 222267046 /nfs/dbraw/zinc/26/70/46/222267046.db2.gz GYCNOVYYFXIBAA-MRXNPFEDSA-N 0 0 397.294 2.609 1 0 GFAFRN O=C1COc2ccc(C3=Nn4cnnc4S[C@H]3c3cccc(F)c3)cc2N1 ZINC000082149480 222311307 /nfs/dbraw/zinc/31/13/07/222311307.db2.gz DFBSMSXIFGLYCG-KRWDZBQOSA-N 0 0 381.392 2.848 1 0 GFAFRN CCOC(=O)C1C(C)=NC(=O)N([P@@]2(=O)NCCCO2)[C@H]1c1ccccc1 ZINC000084724144 222321915 /nfs/dbraw/zinc/32/19/15/222321915.db2.gz UUNDPPLPIIFODK-QWXGXRTQSA-N 0 0 379.353 2.708 1 0 GFAFRN Cc1cc(-c2ccc3nc(Nc4cc[nH]n4)c(-c4nc(C)nc(N)n4)n3c2)on1 ZINC000095553742 222354998 /nfs/dbraw/zinc/35/49/98/222354998.db2.gz INKMULYTOXUNTN-UHFFFAOYSA-N 0 0 388.395 2.507 1 0 GFAFRN COC(=O)c1c(CN2CCOCC2)c(=O)c2ccc(F)cc2n1-c1ccccc1 ZINC000095560537 222355350 /nfs/dbraw/zinc/35/53/50/222355350.db2.gz DODXRPDCYJJXKJ-UHFFFAOYSA-N 0 0 396.418 2.749 1 0 GFAFRN NS(=O)(=O)c1ccc(-n2cc(CO)c(-c3ccc4ccccc4c3)n2)cc1 ZINC000095589494 222358592 /nfs/dbraw/zinc/35/85/92/222358592.db2.gz CZBNBNMWMXVDGO-UHFFFAOYSA-N 0 0 379.441 2.832 1 0 GFAFRN Cn1c(=O)[nH]c(N2CCC(Oc3ccccc3)CC2)c(Cc2ccccc2)c1=O ZINC000028707962 581099924 /nfs/dbraw/zinc/09/99/24/581099924.db2.gz LXPOIWUPJUJVAC-UHFFFAOYSA-N 0 0 391.471 2.712 1 0 GFAFRN COc1cc(CC(=O)c2c(O)cc3c(c2OC)OCO3)cc(OC)c1OC ZINC000095918628 291121472 /nfs/dbraw/zinc/12/14/72/291121472.db2.gz CXFDIAPJVDDVDX-UHFFFAOYSA-N 0 0 376.361 2.581 1 0 biogenic,in-vitro GFAFRN C[C@H]([NH2+]CCc1ccc(NCC(=O)[O-])c(Cl)c1)[C@H](O)c1ccc(O)cc1 ZINC000001490726 212247602 /nfs/dbraw/zinc/24/76/02/212247602.db2.gz GLYJSFOAMOWVFN-BUXKBTBVSA-N 0 0 378.856 2.796 1 0 GFAFRN COc1ccc(N2C(=O)[C@@H]3C(=C(C(=O)c4ccccc4)N4CCC[C@@H]34)C2O)cc1 ZINC000013136465 221262013 /nfs/dbraw/zinc/26/20/13/221262013.db2.gz NMGOVUSWQPVCMX-VNTMZGSJSA-N 0 0 390.439 2.530 1 0 GFAFRN C[C@@H](NC(=O)[C@@H]1C(=O)N(CCO)[C@@]2(C)C[C@@H]1c1ccccc1O2)c1ccccc1 ZINC000013147447 221262765 /nfs/dbraw/zinc/26/27/65/221262765.db2.gz MFKFSVAFSUHGOG-MEIRVAJKSA-N 0 0 394.471 2.597 1 0 GFAFRN Cc1cccnc1-c1nc(C(F)(F)F)cn1-c1ccc(S(N)(=O)=O)cc1 ZINC000013812843 221290370 /nfs/dbraw/zinc/29/03/70/221290370.db2.gz ZMZLLFAAVADZCJ-UHFFFAOYSA-N 0 0 382.367 2.909 1 0 GFAFRN O=c1[nH]c2c(c3nc(-c4ccccc4F)nn31)CN(Cc1ccccn1)CC2 ZINC000013824526 221290404 /nfs/dbraw/zinc/29/04/04/221290404.db2.gz RGQYOJCMYKYGTC-UHFFFAOYSA-N 0 0 376.395 2.589 1 0 GFAFRN CCC(=O)Nc1cn2ncnc(Nc3cc(C(=O)NOC)ccc3C)c2c1C ZINC000014974251 221323720 /nfs/dbraw/zinc/32/37/20/221323720.db2.gz XLLGZVLHAHEKRN-UHFFFAOYSA-N 0 0 382.424 2.729 1 0 GFAFRN COc1cc(OC)cc(N2NC3=CC[C@@H](OC)O[C@@]3(c3ccncc3)CC2=O)c1 ZINC000066259012 136164373 /nfs/dbraw/zinc/16/43/73/136164373.db2.gz MUKOWPNLSVNBJD-LEWJYISDSA-N 0 0 397.431 2.512 1 0 GFAFRN Cn1cc(-c2ccc(CN3C(=O)CS(=O)(=O)c4ccccc43)c(F)c2)cn1 ZINC000095594910 136182555 /nfs/dbraw/zinc/18/25/55/136182555.db2.gz REYSOWUFKQTUCD-UHFFFAOYSA-N 0 0 385.420 2.547 1 0 GFAFRN O[C@](Cn1cncn1)(Cn1nnc2ccc(Cl)cc21)c1ccc(F)cc1F ZINC000049803285 222002435 /nfs/dbraw/zinc/00/24/35/222002435.db2.gz DZMKCQSTLGEBGQ-QGZVFWFLSA-N 0 0 390.781 2.542 1 0 GFAFRN CCCNC(=O)c1cc([C@@H]2CCCCN2S(=O)(=O)c2ccccc2)on1 ZINC000061907830 222062851 /nfs/dbraw/zinc/06/28/51/222062851.db2.gz OVGNJNRPJUYZJJ-INIZCTEOSA-N 0 0 377.466 2.730 3 0 GFAFRN O=C([O-])[C@@H]1C[N@@H+]([C@@H]2CC[C@@]3(C2)Cc2ccccc2Cc2ccccc23)CCN1 ZINC000064447276 222070247 /nfs/dbraw/zinc/07/02/47/222070247.db2.gz AYWYOYAKLYFQAR-SFLYRZDNSA-N 0 0 376.500 2.982 1 0 GFAFRN COc1ccc([C@@H]2[C@H]3Cc4cc(OC)c(OC)cc4C3=NN2C(N)=O)cc1OC ZINC000073138474 222266088 /nfs/dbraw/zinc/26/60/88/222266088.db2.gz CHMCBJOSDHGBIQ-VBKZILBWSA-N 0 0 397.431 2.733 1 0 GFAFRN O=C(Nc1cccnc1)c1ccc2cc3n(c2c1)CC1(CCOCC1)CNC3=O ZINC000073161127 222266338 /nfs/dbraw/zinc/26/63/38/222266338.db2.gz DWCLLHOMFHDNPC-UHFFFAOYSA-N 0 0 390.443 2.829 1 0 GFAFRN COc1ccc2c(c1)CCN(S(N)(=O)=O)[C@H]2c1ccc(Br)cc1 ZINC000073159318 222267335 /nfs/dbraw/zinc/26/73/35/222267335.db2.gz GYCNOVYYFXIBAA-INIZCTEOSA-N 0 0 397.294 2.609 1 0 GFAFRN CC(C)(C)c1ccc([S@]2=NS(=O)(=O)c3ccc(S(N)(=O)=O)cc32)cc1 ZINC000073163161 222267688 /nfs/dbraw/zinc/26/76/88/222267688.db2.gz AFILGFZWTMPJFV-QHCPKHFHSA-N 0 0 398.531 2.554 1 0 GFAFRN C[C@@H](CO)NS(=O)(=O)c1ccc(-c2ccnc3[nH]c(C(F)(F)F)cc32)cc1 ZINC000095557535 222354281 /nfs/dbraw/zinc/35/42/81/222354281.db2.gz NZANNALXDKRTAW-JTQLQIEISA-N 0 0 399.394 2.908 1 0 GFAFRN O=C(NCCCn1cccn1)c1cc(Br)c(Br)[nH]1 ZINC000103259975 222494678 /nfs/dbraw/zinc/49/46/78/222494678.db2.gz FLCUOPUQUVTGDA-UHFFFAOYSA-N 0 0 376.052 2.556 1 0 GFAFRN CO[C@@H]1[C@]23O[C@@]2(C[C@@H]2CC[C@@H](OC(=O)/C=C/SC)[C@@H](C)[C@]21C)OC(=O)[C@@H]3C ZINC000100774361 571819559 /nfs/dbraw/zinc/81/95/59/571819559.db2.gz ULNGGZOBSDELFB-FEADEPORSA-N 0 0 396.505 2.904 1 0 endogenous,in-man GFAFRN O=C(OCCCc1cccnc1)[C@@H]1CCCN1S(=O)(=O)Cc1ccccc1 ZINC000027559527 581102081 /nfs/dbraw/zinc/10/20/81/581102081.db2.gz KQLRLYLKDPJCLG-IBGZPJMESA-N 0 0 388.489 2.552 1 0 GFAFRN O=C1c2c(O)cc(O)c(Cc3cccc(O)c3)c2O[C@@H](c2ccc(O)cc2)[C@@H]1O ZINC000095911975 291123353 /nfs/dbraw/zinc/12/33/53/291123353.db2.gz QTQFIIUIOXANIY-RTWAWAEBSA-N 0 0 394.379 2.777 1 0 biogenic,in-vitro GFAFRN COc1cc(NC(=O)c2cccc(NC3=[NH+]CCCN3)c2)ccc1CCC(=O)[O-] ZINC000000578047 212164201 /nfs/dbraw/zinc/16/42/01/212164201.db2.gz JTOSMCOFPADVGU-UHFFFAOYSA-N 0 0 396.447 2.726 1 0 GFAFRN O=C1NC(=O)C(c2ccccc2Cl)=C1c1cn(CCCO)c2ncccc12 ZINC000003819646 220667159 /nfs/dbraw/zinc/66/71/59/220667159.db2.gz CAGLPTUMBKISRZ-UHFFFAOYSA-N 0 0 381.819 2.639 1 0 GFAFRN CN1C(=O)Cc2cc(S(=O)(=O)CCC(=O)Nc3ccc(Cl)cc3)ccc21 ZINC000008673334 221048644 /nfs/dbraw/zinc/04/86/44/221048644.db2.gz JSQLIDZOECXPQU-UHFFFAOYSA-N 0 0 392.864 2.661 1 0 GFAFRN COC(=O)[C@@]1(C)N[C@H](c2cccc(C)c2)[C@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]21 ZINC000012496647 221200218 /nfs/dbraw/zinc/20/02/18/221200218.db2.gz NKPHVJAVUYSGSZ-FBAVSBLXSA-N 0 0 396.418 2.516 1 0 GFAFRN O=C([O-])COc1ccc(C(=O)N2CCC3(CCN(c4cc[nH+]cc4)C3)CC2)cc1 ZINC000013440609 221268144 /nfs/dbraw/zinc/26/81/44/221268144.db2.gz DDQXUIVHSGWOEU-UHFFFAOYSA-N 0 0 395.459 2.678 1 0 GFAFRN CN(C(=O)N1Cc2ncn(Cc3ccccc3)c2C[C@H]1CO)c1ccccc1 ZINC000013446933 221269350 /nfs/dbraw/zinc/26/93/50/221269350.db2.gz ODMKKGACLNICLL-IBGZPJMESA-N 0 0 376.460 2.907 1 0 GFAFRN CSc1ccc(C2=C(c3ccc(S(C)(=O)=O)cc3)[C@@](C)(O)OC2=O)cc1 ZINC000013488599 221270585 /nfs/dbraw/zinc/27/05/85/221270585.db2.gz QSIMEXGETHTWEY-IBGZPJMESA-N 0 0 390.482 2.988 1 0 GFAFRN CCN1C(=O)c2cc(OC)c(OC)cc2[C@H]2C(=O)c3cc4c(cc3[C@H]21)OCO4 ZINC000013652369 221279445 /nfs/dbraw/zinc/27/94/45/221279445.db2.gz SLWVIRKNNDWGBX-RTBURBONSA-N 0 0 381.384 2.929 1 0 GFAFRN Nc1nc2c(nc(Br)n2[C@@H]2CCCCc3ccc(F)cc32)c(=O)[nH]1 ZINC000026017952 221635532 /nfs/dbraw/zinc/63/55/32/221635532.db2.gz RCVZAWFRNVHKCM-LLVKDONJSA-N 0 0 392.232 2.919 1 0 GFAFRN COc1ccc(-n2c(=O)c3c4c(sc3nc2S(C)(=O)=O)CCCC4)cc1 ZINC000028948817 221686700 /nfs/dbraw/zinc/68/67/00/221686700.db2.gz YTUSYAYIPHMVKF-UHFFFAOYSA-N 0 0 390.486 2.738 1 0 GFAFRN COc1ccc2c(c1)[nH]c(CC=C(C)C)c2C[C@@H]1NC(=O)[C@H](C(C)C)NC1=O ZINC000029062753 221688799 /nfs/dbraw/zinc/68/87/99/221688799.db2.gz MQPPGOGHUNHMCR-PMACEKPBSA-N 0 0 383.492 2.867 1 0 GFAFRN COC[C@@H](C1CC1)n1nc(C)nc(Nc2ccc(OC)nc2C(F)(F)F)c1=O ZINC000049036433 221996317 /nfs/dbraw/zinc/99/63/17/221996317.db2.gz YFXUIKYIQHGCCE-LBPRGKRZSA-N 0 0 399.373 2.710 1 0 GFAFRN CC(C)(C[N@@H+]1CCCN(C2=Cc3ccccc3Cn3ccnc32)CC1)C(=O)[O-] ZINC000058582176 222054324 /nfs/dbraw/zinc/05/43/24/222054324.db2.gz MCEBFAPNLMTKDG-UHFFFAOYSA-N 0 0 380.492 2.861 1 0 GFAFRN Cc1cn2c(n1)C(N1CC[NH+](CC(C)(C)C(=O)[O-])CC1)=Cc1ccccc1C2 ZINC000058581985 222054742 /nfs/dbraw/zinc/05/47/42/222054742.db2.gz JAWGTZDKZCZPKP-UHFFFAOYSA-N 0 0 380.492 2.780 1 0 GFAFRN C[C@@H]1NC(c2ccc(=O)n(C)c2)=N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1 ZINC000071281292 222178052 /nfs/dbraw/zinc/17/80/52/222178052.db2.gz BDYBUJFDECYUHB-ZSEKCTLFSA-N 0 0 380.398 2.741 1 0 GFAFRN FC(F)(F)c1nc2c(nnn2C[C@H]2CCCO2)c(NC2CCSCC2)n1 ZINC000084710558 222321735 /nfs/dbraw/zinc/32/17/35/222321735.db2.gz KYSMIGHTTWEFRF-SNVBAGLBSA-N 0 0 388.419 2.727 1 0 GFAFRN O=C(c1ccc(F)c(Cl)c1Cl)N1CCn2c(nnc2-c2cnccn2)C1 ZINC000095565841 222356424 /nfs/dbraw/zinc/35/64/24/222356424.db2.gz VOZZHBAHNGPQEW-UHFFFAOYSA-N 0 0 393.209 2.837 1 0 GFAFRN Cc1nn(C)c2c1-c1cnc(N)c(n1)O[C@@H](C)c1cc(F)ccc1C(=O)N(C)C2 ZINC000144856676 222528739 /nfs/dbraw/zinc/52/87/39/222528739.db2.gz BOSKQVUEUWJLFT-NSHDSACASA-N 0 0 396.426 2.632 1 0 GFAFRN COc1cc(/C=C/CO)cc2c1O[C@H](c1cc(OC)c(O)c(OC)c1)[C@@H]2CO ZINC000015161124 560229053 /nfs/dbraw/zinc/22/90/53/560229053.db2.gz SGRRPSBKBJVKJE-XHSUDLSASA-N 0 0 388.416 2.633 1 0 in-vitro GFAFRN CC(=O)OC[C@H](O)[C@]1(C)C=C2CC[C@H]3[C@](C)(CO)C[C@@H](O)C[C@@]3(C)[C@H]2CC1 ZINC000070454750 291118755 /nfs/dbraw/zinc/11/87/55/291118755.db2.gz KWIJYAKGYJADGK-BHXFFAOXSA-N 0 0 380.525 2.823 1 0 biogenic,in-vitro GFAFRN COc1ccc([C@]23OC[C@H](Cc4cc(OC)c(OC)cc42)[C@@H]3CO)cc1OC ZINC000006003310 220912516 /nfs/dbraw/zinc/91/25/16/220912516.db2.gz CIQMFHJWBNOVQL-JKXTWKSPSA-N 0 0 386.444 2.776 1 0 GFAFRN C[C@H](NC(=O)[C@H]1C(=O)N(CCO)[C@@]2(C)C[C@@H]1c1ccccc1O2)c1ccccc1 ZINC000007991189 221022431 /nfs/dbraw/zinc/02/24/31/221022431.db2.gz MFKFSVAFSUHGOG-SHLYYBDNSA-N 0 0 394.471 2.597 1 0 GFAFRN CCOC(=O)[C@@H]1[C@H](C(=O)NC(C)C)[C@@H]1C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000012859579 221239509 /nfs/dbraw/zinc/23/95/09/221239509.db2.gz QOIQZYGDBSSSQD-HZSPNIEDSA-N 0 0 386.370 2.594 1 0 GFAFRN CC(C)[C@H](NC(=O)c1ccco1)C(=O)OCC(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C ZINC000013685667 221280636 /nfs/dbraw/zinc/28/06/36/221280636.db2.gz CUDFNCKDBSXOQQ-AFIMGQEJSA-N 0 0 378.469 2.518 1 0 GFAFRN O=C1c2ccccc2C(=O)N1CCN1CCN(c2nsc3ccccc32)CC1 ZINC000013745246 221286451 /nfs/dbraw/zinc/28/64/51/221286451.db2.gz LTPDXYAZMVAPFX-UHFFFAOYSA-N 0 0 392.484 2.715 1 0 GFAFRN NC(=[NH2+])c1ccc(CCCCC(=O)N[C@@H](CC(=O)[O-])Cc2ccccc2)cc1 ZINC000013741892 221286535 /nfs/dbraw/zinc/28/65/35/221286535.db2.gz IKKGAXSNUUBAFD-LJQANCHMSA-N 0 0 381.476 2.886 1 0 GFAFRN CCn1c2cc(Oc3cccc(NC(C)=O)c3)ncc2nc1-c1nonc1N ZINC000014954285 221320204 /nfs/dbraw/zinc/32/02/04/221320204.db2.gz VJPWSTNYMQCQAS-UHFFFAOYSA-N 0 0 379.380 2.834 1 0 GFAFRN [NH3+][C@H]1CN(CCc2cccc(C(=O)[O-])c2)C(=O)C[C@@H]1c1cc(F)c(F)cc1F ZINC000014958814 221320812 /nfs/dbraw/zinc/32/08/12/221320812.db2.gz QXKPQSPVHRYOGI-KDOFPFPSSA-N 0 0 392.377 2.688 1 0 GFAFRN C[C@H]1C[C@H](C)CN(S(=O)(=O)N2CCC[C@@H](C(=O)N[C@@H]3CCCC[C@@H]3C)C2)C1 ZINC000015895363 221351863 /nfs/dbraw/zinc/35/18/63/221351863.db2.gz XFGIONNEHGAZPS-LTFXXXRZSA-N 0 0 399.601 2.616 1 0 GFAFRN O=C(O[C@H]1C[C@H]2C[C@@H]1[C@H]1CCCCN1C2=O)N1CCN(c2ccccc2)CC1 ZINC000095570941 136182216 /nfs/dbraw/zinc/18/22/16/136182216.db2.gz VBQMMEXSTHWJJH-AFYVEPGGSA-N 0 0 383.492 2.735 1 0 GFAFRN COc1cc(N2CCN(C(=O)Cn3ncc(Cl)c3C)CC2)ccc1Cl ZINC000095585309 136182285 /nfs/dbraw/zinc/18/22/85/136182285.db2.gz VBJWUCGTNNKPQE-UHFFFAOYSA-N 0 0 383.279 2.856 1 0 GFAFRN COC1=Nc2ccccc2C2=N[C@@H](CN3CCN(c4ccccc4)CC3)CN21 ZINC000100740225 136189332 /nfs/dbraw/zinc/18/93/32/136189332.db2.gz AQFNDEWRDMRIMD-KRWDZBQOSA-N 0 0 375.476 2.587 1 0 GFAFRN C[C@@]1(C(=O)NCCC(F)(F)F)Cc2c(nccc2-c2cccc(C(N)=O)c2)O1 ZINC000061905430 222063240 /nfs/dbraw/zinc/06/32/40/222063240.db2.gz OHDNSDQVKJCJBD-SFHVURJKSA-N 0 0 393.365 2.610 3 0 GFAFRN CC(C)NC(=O)c1cc([C@H]2CCCCN2S(=O)(=O)c2cccs2)on1 ZINC000061905694 222063461 /nfs/dbraw/zinc/06/34/61/222063461.db2.gz CIXYLHGRSGFUOZ-CYBMUJFWSA-N 0 0 383.495 2.790 3 0 GFAFRN CSc1nc2ccccc2n1CC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1 ZINC000064755223 222080714 /nfs/dbraw/zinc/08/07/14/222080714.db2.gz YSDZWUSFFLGBDF-UHFFFAOYSA-N 0 0 395.893 2.942 1 0 GFAFRN O=C1[C@@H]2Cc3ccccc3N2C(=O)N1S(=O)(=O)c1ccc2ccccc2c1 ZINC000066073754 222136373 /nfs/dbraw/zinc/13/63/73/222136373.db2.gz HCCUXWCDNCLIBL-SFHVURJKSA-N 0 0 378.409 2.922 1 0 GFAFRN Cn1cnc(NC(=O)c2cn(Cc3ccc(Cl)c(C(F)(F)F)c3)cn2)n1 ZINC000066078849 222136555 /nfs/dbraw/zinc/13/65/55/222136555.db2.gz VUOVMAJLKDASEV-UHFFFAOYSA-N 0 0 384.749 2.984 1 0 GFAFRN COC(=O)[C@H](Cc1ccccc1)N1C(=O)[C@@H]2Cc3ccccc3CN2C1(C)C ZINC000066259773 222139507 /nfs/dbraw/zinc/13/95/07/222139507.db2.gz XJHWRIGSWYOTNN-PMACEKPBSA-N 0 0 378.472 2.776 1 0 GFAFRN CN1CC[C@@H](NC(=O)c2ccc3c(c2)OCCO3)C[C@@H]1c1nc2ccccc2[nH]1 ZINC000084704310 222322179 /nfs/dbraw/zinc/32/21/79/222322179.db2.gz WJZXLGBXZRBBHC-CRAIPNDOSA-N 0 0 392.459 2.899 1 0 GFAFRN Cc1c2c(nn1C)C(=O)CC1(CCN(C(=O)c3cc4c[nH]nc4c(C)c3)CC1)O2 ZINC000073296428 222270048 /nfs/dbraw/zinc/27/00/48/222270048.db2.gz NXXFTQFAVPYTDI-UHFFFAOYSA-N 0 0 393.447 2.553 1 0 GFAFRN Cc1cc2oc3c(nc(CN4CC[C@H](O)C4)[nH]c3=O)c2cc1Br ZINC000084669517 222319726 /nfs/dbraw/zinc/31/97/26/222319726.db2.gz CGLCQOJIDHILHH-VIFPVBQESA-N 0 0 378.226 2.719 1 0 GFAFRN CO[C@H]1CCCC[C@@H]1NC(=O)c1ccc(N2C(=O)[C@@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3C2=O)cc1 ZINC000084670173 222319839 /nfs/dbraw/zinc/31/98/39/222319839.db2.gz CIGXOLIPWYJQER-ZLKCZHQWSA-N 0 0 394.471 2.686 1 0 GFAFRN O=C(c1ccc(Cl)cc1Cl)N1CCn2c(nnc2-c2ccncn2)C1 ZINC000095565325 222356406 /nfs/dbraw/zinc/35/64/06/222356406.db2.gz PSGZBPHAAGGIJD-UHFFFAOYSA-N 0 0 375.219 2.698 1 0 GFAFRN Cn1cc(-c2ccc3c(c2)CCN3C(=O)Cc2ccccn2)c2c1ncnc2N ZINC000096285840 222409104 /nfs/dbraw/zinc/40/91/04/222409104.db2.gz SKNNYROPGOOGGW-UHFFFAOYSA-N 0 0 384.443 2.744 1 0 GFAFRN C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@@H](O)CC[C@@]43C=O)[C@@]1(O)CC[C@@H]2C1=CC(=O)OC1 ZINC000015107706 560228209 /nfs/dbraw/zinc/22/82/09/560228209.db2.gz JNTNUSUPTSNMNJ-NNNAONFXSA-N 0 0 388.504 2.783 1 0 in-vitro GFAFRN COC(=O)C1=CS[C@]2(S1)c1ssc(=O)c1SC=C2C(=O)OC ZINC000001658484 212253001 /nfs/dbraw/zinc/25/30/01/212253001.db2.gz DFVGJIKOCFXRMT-GFCCVEGCSA-N 0 0 392.526 2.980 1 0 GFAFRN O=S(=O)(c1cccc(C(F)(F)F)c1)N1CCC(O)(c2cccnc2)CC1 ZINC000001347992 212236968 /nfs/dbraw/zinc/23/69/68/212236968.db2.gz RCOATEVJJUMFQT-UHFFFAOYSA-N 0 0 386.395 2.773 3 0 GFAFRN CCOc1cc(NC(C)=O)ccc1C(=O)NN1C(=O)CS[C@H]1c1ccccc1 ZINC000001094196 212216388 /nfs/dbraw/zinc/21/63/88/212216388.db2.gz JZLZRMODUWYVSC-FQEVSTJZSA-N 0 0 399.472 2.963 1 0 GFAFRN O=C(Cn1cnc2c(nc3n2CCCCC3)c1=O)Nc1ccc(F)c(Cl)c1 ZINC000006936004 220978880 /nfs/dbraw/zinc/97/88/80/220978880.db2.gz RISLJRZASYNNJD-UHFFFAOYSA-N 0 0 389.818 2.751 1 0 GFAFRN COc1cc([C@@H]2C3=C(COC3=O)Cc3cc4c(cc32)OCO4)cc(OC)c1OC ZINC000013371283 221267668 /nfs/dbraw/zinc/26/76/68/221267668.db2.gz OPGVEBTYBAOEHZ-IBGZPJMESA-N 0 0 396.395 2.983 1 0 biogenic,in-vitro GFAFRN O=C([O-])COc1cccc(C(=O)N2CCC3(CCN(c4cc[nH+]cc4)C3)CC2)c1 ZINC000013440607 221268015 /nfs/dbraw/zinc/26/80/15/221268015.db2.gz ZNOJLFJYJPAQFQ-UHFFFAOYSA-N 0 0 395.459 2.678 1 0 GFAFRN NS(=O)(=O)Oc1ccc2c(c1)[C@@H](O)C[C@@H](C13CC4CC(CC(C4)C1)C3)O2 ZINC000013491355 221270096 /nfs/dbraw/zinc/27/00/96/221270096.db2.gz BSAFHRHNJBXDTM-LQVGRZKASA-N 0 0 379.478 2.670 1 0 GFAFRN NS(=O)(=O)Oc1ccc2c(c1)[C@H](O)C[C@@H](C13CC4CC(CC(C4)C1)C3)O2 ZINC000013491353 221270314 /nfs/dbraw/zinc/27/03/14/221270314.db2.gz BSAFHRHNJBXDTM-WQUDHZCYSA-N 0 0 379.478 2.670 1 0 GFAFRN C[C@@](O)(C(=O)Nc1ccc(S(=O)(=O)c2cccc(F)c2)cc1)C(F)(F)F 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/nfs/dbraw/zinc/65/79/18/221657918.db2.gz LFCVZQPROGQZAE-UHFFFAOYSA-N 0 0 385.427 2.958 1 0 GFAFRN CC[C@]1(O)c2cc3n(c(=O)c2CO[C@H]1OCCF)Cc1cc2ccccc2nc1-3 ZINC000084687983 222319010 /nfs/dbraw/zinc/31/90/10/222319010.db2.gz MNUVXMACGXFICH-YADHBBJMSA-N 0 0 396.418 2.865 1 0 GFAFRN CCCc1ccc(Cn2cc([C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)c3ccccc32)cc1 ZINC000084757060 222320693 /nfs/dbraw/zinc/32/06/93/222320693.db2.gz CWTQWNARRLXXPF-ACESQOTJSA-N 0 0 381.472 2.796 1 0 GFAFRN C=CC(=O)N1CCC[C@@H](n2nc(-c3ccnc4ccccc43)c3c2ncnc3N)C1 ZINC000095574436 222356410 /nfs/dbraw/zinc/35/64/10/222356410.db2.gz PAINXDCXIGAJQR-CQSZACIVSA-N 0 0 399.458 2.973 1 0 GFAFRN C=CC(=O)N1CCC[C@@H](n2nc(-c3cnc4ccccc4c3)c3c2ncnc3N)C1 ZINC000095572805 222356651 /nfs/dbraw/zinc/35/66/51/222356651.db2.gz NGDZQUCMKGSODW-MRXNPFEDSA-N 0 0 399.458 2.973 1 0 GFAFRN CCOC(=O)CN1C(=O)N[C@H](c2cccc(C(F)(F)F)c2)[C@@H](C(C)=O)[C@@H]1C ZINC000169356154 222537098 /nfs/dbraw/zinc/53/70/98/222537098.db2.gz FUPAQXIAYSURIA-AMKSKSKJSA-N 0 0 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NTBMDNFTKNXWSC-UHFFFAOYSA-N 0 0 384.461 2.652 1 0 GFAFRN O=C(c1ccncc1)N1CC[C@@H]2[C@H]1c1cc(Br)ccc1N[C@H]2CO ZINC000095571429 211278037 /nfs/dbraw/zinc/27/80/37/211278037.db2.gz ODRNCXKXNVTUTQ-JQFCIGGWSA-N 0 0 388.265 2.834 1 0 GFAFRN CC(C)n1cc(-c2ccnc(NC[C@H](C)O)n2)c(-c2cnc3n[nH]cc3c2)n1 ZINC000095563021 211277179 /nfs/dbraw/zinc/27/71/79/211277179.db2.gz DQIHARVNOLGARF-LBPRGKRZSA-N 0 0 378.440 2.652 1 0 GFAFRN CCOC(=O)C[C@H]1c2cc(-c3ccccn3)ccc2OC(N)=C1C(=O)OCC ZINC000095560464 211276735 /nfs/dbraw/zinc/27/67/35/211276735.db2.gz WFQYNLUPNZYOHZ-HNNXBMFYSA-N 0 0 382.416 2.911 1 0 GFAFRN O=C1COc2ccc(C3=Nn4cnnc4S[C@@H]3c3ccc(F)cc3)cc2N1 ZINC000082149483 211160967 /nfs/dbraw/zinc/16/09/67/211160967.db2.gz LTLHQZAJZVFPBB-QGZVFWFLSA-N 0 0 381.392 2.848 1 0 GFAFRN O=C1N[C@](c2ccccc2)(C2CC2)C(=O)N1CN1CCN(c2ccccc2)CC1 ZINC000072124428 211072182 /nfs/dbraw/zinc/07/21/82/211072182.db2.gz UNZGCLUCLKDDNO-HSZRJFAPSA-N 0 0 390.487 2.623 1 0 GFAFRN 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/nfs/dbraw/zinc/35/68/86/210356886.db2.gz NMMNIQMUPHUXEV-OAQYLSRUSA-N 0 0 397.500 2.628 3 0 GFAFRN CC(=O)c1cc(C)ccc1OC[C@H](O)CN1CCN(c2ccc(F)cc2)CC1 ZINC000096941808 534816960 /nfs/dbraw/zinc/81/69/60/534816960.db2.gz VCQWQXSPNPZWQZ-HXUWFJFHSA-N 0 0 386.467 2.899 1 0 GFAFRN CC(=O)NCC[C@@H]1CN(C(=O)/C=C\I)c2ccccc21 ZINC000017256288 210207726 /nfs/dbraw/zinc/20/77/26/210207726.db2.gz MHGHKECOHLJWOC-XYLWRLHESA-N 0 0 384.217 2.592 1 0 GFAFRN COC(=O)C(=C/c1cc(OC)c(OC)c(OC)c1)/C(=C\c1ccccc1)C(N)=O ZINC000013903717 210096544 /nfs/dbraw/zinc/09/65/44/210096544.db2.gz OHVFKSYQKWXSDA-OTYYAQKOSA-N 0 0 397.427 2.838 1 0 GFAFRN CC(C)(C)[C@@H]1C=C(C(=O)N2CCOCC2)O[C@H](OCc2ccc(CO)cc2)C1 ZINC000013656791 210075255 /nfs/dbraw/zinc/07/52/55/210075255.db2.gz MQWLUXIQBFKVGS-QUCCMNQESA-N 0 0 389.492 2.847 3 0 GFAFRN CC[C@@H]1C(C(=O)OC)=C2Nc3cc(OC)ccc3[C@@]23CCN2C(=O)C=C[C@@H]1[C@H]23 ZINC000033833159 291120047 /nfs/dbraw/zinc/12/00/47/291120047.db2.gz GAFRJVYOKFJQKI-CXCFMMHZSA-N 0 0 380.444 2.612 1 0 biogenic,in-vitro GFAFRN CN1CCN(c2ncc3nc(-c4ccc(Cl)cc4)c(=O)n(C4CC4)c3n2)CC1 ZINC000004238517 209473338 /nfs/dbraw/zinc/47/33/38/209473338.db2.gz LTRPLLCODTZIDB-UHFFFAOYSA-N 0 0 396.882 2.594 1 0 GFAFRN NC(=O)c1ccccc1NC(=O)c1cccc(S(=O)(=O)Nc2ccccc2)c1 ZINC000002921260 209396853 /nfs/dbraw/zinc/39/68/53/209396853.db2.gz GBPAWBQURQGZCG-UHFFFAOYSA-N 0 0 395.440 2.839 1 0 GFAFRN COc1cccc([C@H]2C[C@H](c3ccc(OC)c(OC)c3OC)n3nnnc3N2)c1 ZINC000002916556 209396993 /nfs/dbraw/zinc/39/69/93/209396993.db2.gz AYHYWZFNIFXQEH-HZPDHXFCSA-N 0 0 397.435 2.854 1 0 GFAFRN CC(C)OC(=O)[C@H]1C(=O)C[C@@](C)(O)[C@@H](C(=O)OC(C)C)[C@@H]1c1ccccc1 ZINC000000971074 209284719 /nfs/dbraw/zinc/28/47/19/209284719.db2.gz FMJOKPRBXJEFND-BMQTXXJKSA-N 0 0 376.449 2.630 1 0 GFAFRN COc1cccc2cc([C@H]3SC(NC(C)=O)=NN3C(C)=O)c(Cl)nc21 ZINC000098083025 211378045 /nfs/dbraw/zinc/37/80/45/211378045.db2.gz JIBCBBONBHZBKD-OAHLLOKOSA-N 0 0 378.841 2.898 1 0 GFAFRN O=C(Nc1nccs1)[C@H](Cc1ccccc1)n1c(=O)[nH]c2ccccc2c1=O ZINC000095601506 211282008 /nfs/dbraw/zinc/28/20/08/211282008.db2.gz UWUBCDGFCYUYPR-INIZCTEOSA-N 0 0 392.440 2.569 1 0 GFAFRN NS(=O)(=O)c1ccc(-n2nc(CO)cc2-c2cccc3ccccc32)cc1 ZINC000095587211 211280332 /nfs/dbraw/zinc/28/03/32/211280332.db2.gz KSOJBPIIYODYPK-UHFFFAOYSA-N 0 0 379.441 2.832 1 0 GFAFRN O=C(N[C@H]1CCC[C@H](C(=O)N2CCOCC2)C1)NC12CC3CC(CC(C3)C1)C2 ZINC000084758400 211175607 /nfs/dbraw/zinc/17/56/07/211175607.db2.gz WOWHTGZSYYPCMC-DDNHJUOSSA-N 0 0 389.540 2.672 1 0 GFAFRN O=C1COc2ccc(C3=Nn4cnnc4S[C@H]3c3ccccc3F)cc2N1 ZINC000082149476 211160868 /nfs/dbraw/zinc/16/08/68/211160868.db2.gz PCGOQTMXPHYEIV-KRWDZBQOSA-N 0 0 381.392 2.848 1 0 GFAFRN CC(C)(C)c1ccc([S@]2=NS(=O)(=O)c3cc(S(N)(=O)=O)ccc32)cc1 ZINC000073164195 211123735 /nfs/dbraw/zinc/12/37/35/211123735.db2.gz CZRINGAGTKOOGM-QHCPKHFHSA-N 0 0 398.531 2.554 1 0 GFAFRN CC(=O)O[C@H]1C=CC(=O)O[C@@H]1[C@@H]1N=C(c2ccccc2)O[C@@H]1c1ccccc1 ZINC000072113064 211069706 /nfs/dbraw/zinc/06/97/06/211069706.db2.gz JILWQKIRZCTRHN-KCLUMXDGSA-N 0 0 377.396 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AUEJRJQJFKETIL-INIZCTEOSA-N 0 0 386.477 2.934 1 0 GFAFRN Nc1nc(N)c2nc(CN3c4ccccc4S[C@H]4C=CC=C[C@H]43)cnc2n1 ZINC000064468822 136156836 /nfs/dbraw/zinc/15/68/36/136156836.db2.gz PIZFEXJPPUNUID-OCCSQVGLSA-N 0 0 375.461 2.560 1 0 GFAFRN COc1cnccc1-c1cc(=O)n(C)c(N2CCO[C@@H](c3ccc(F)cc3)C2)n1 ZINC000103240259 136190935 /nfs/dbraw/zinc/19/09/35/136190935.db2.gz JOVOBDGBZJQSCZ-LJQANCHMSA-N 0 0 396.422 2.568 1 0 GFAFRN Cc1ccc(N2CCN(CCN3C(=O)O[C@H](c4ccccc4)C3=O)CC2)cc1 ZINC000103210059 136190948 /nfs/dbraw/zinc/19/09/48/136190948.db2.gz KSRCSTJDFPHVKU-HXUWFJFHSA-N 0 0 379.460 2.837 1 0 GFAFRN O=C(c1ccc(Cl)cc1)N1CCN(c2nn3cnnc3c3ccccc32)CC1 ZINC000169312435 136197187 /nfs/dbraw/zinc/19/71/87/136197187.db2.gz HUXOMFVVOABTMK-UHFFFAOYSA-N 0 0 392.850 2.893 1 0 GFAFRN NC(=O)c1sc2nc(NC3CC3)nc(-c3cc(O)cc(Cl)c3)c2c1N ZINC000073240600 222268604 /nfs/dbraw/zinc/26/86/04/222268604.db2.gz WCYRSSJUYMQAFK-UHFFFAOYSA-N 0 0 375.841 2.973 1 0 GFAFRN CN(C(=O)N[C@H]1CC[C@@H](c2ccccc2)CC1)C1CCN(S(C)(=O)=O)CC1 ZINC000101141116 222468038 /nfs/dbraw/zinc/46/80/38/222468038.db2.gz UKTYHCYZFWBGRW-IYARVYRRSA-N 0 0 393.553 2.778 1 0 GFAFRN CN1CCCC[C@@H]1C(=O)Nc1ccc(-n2cc3cccc(C(N)=O)c3n2)cc1 ZINC000045385475 581098832 /nfs/dbraw/zinc/09/88/32/581098832.db2.gz CBTWKVIWLYXVTA-GOSISDBHSA-N 0 0 377.448 2.547 1 0 GFAFRN CC(=O)OC[C@]1(C)[C@@H](O)CC[C@@]2(C)[C@@H]1CC[C@@H]1C[C@@H]3C[C@@]12CC[C@@]3(O)CO ZINC000017129195 210205467 /nfs/dbraw/zinc/20/54/67/210205467.db2.gz SSEWIUPYEWEJEH-SGIOEENZSA-N 0 0 380.525 2.657 1 0 GFAFRN CNC(=O)C1=Cc2ccc(OC)cc2O[C@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000013553847 210066775 /nfs/dbraw/zinc/06/67/75/210066775.db2.gz AMZQCHSWYXTZOT-IBGZPJMESA-N 0 0 385.416 2.984 1 0 GFAFRN CCCC[C@H](CN(O)C=O)C(=O)N[C@H](C(=O)N(C)C1CCCCC1)C(C)(C)C ZINC000013537133 210065153 /nfs/dbraw/zinc/06/51/53/210065153.db2.gz QPXLOMRVQSWZQT-SJLPKXTDSA-N 0 0 397.560 2.962 1 0 GFAFRN CC(=O)Oc1ccccc1C(=O)Oc1cccnc1C(=O)Nc1nccs1 ZINC000013521957 210065093 /nfs/dbraw/zinc/06/50/93/210065093.db2.gz BYJJCFXPBUDXKH-UHFFFAOYSA-N 0 0 383.385 2.935 1 0 GFAFRN CS(=O)(=O)c1ccc(-c2cc3c(cc2CN2CCCCC2=O)OCO3)cc1 ZINC000013530491 210065121 /nfs/dbraw/zinc/06/51/21/210065121.db2.gz GGVMQBYYODDZQC-UHFFFAOYSA-N 0 0 387.457 2.998 1 0 GFAFRN CC(C)CCNC(=O)[C@H]1[C@H]2C=C[C@]3(CN(Cc4ccccc4Cl)C(=O)[C@@H]13)O2 ZINC000013138879 210053796 /nfs/dbraw/zinc/05/37/96/210053796.db2.gz LJJDMVUTPBDCCC-BMQTXXJKSA-N 0 0 388.895 2.784 1 0 GFAFRN CCC[C@]1(C(=O)OC)N[C@H](c2ccco2)[C@H]2C(=O)N(c3ccc(C)cc3)C(=O)[C@@H]21 ZINC000013116626 210051315 /nfs/dbraw/zinc/05/13/15/210051315.db2.gz JPAYKFOGOBDDJL-FBAVSBLXSA-N 0 0 396.443 2.750 3 0 GFAFRN CCCNc1n[nH]c2c1CCCc1cc(N3C[C@H](CNC(C)=O)OC3=O)ccc1-2 ZINC000011524626 209875470 /nfs/dbraw/zinc/87/54/70/209875470.db2.gz POAFYWGHMRCIBD-INIZCTEOSA-N 0 0 397.479 2.849 1 0 GFAFRN CSCC[C@H]1NC(=O)N([C@H](C)C(=O)Nc2cc(Cl)cc(Cl)c2)C1=O ZINC000005752407 209612507 /nfs/dbraw/zinc/61/25/07/209612507.db2.gz NRCMOTCDMCKKIV-PRHODGIISA-N 0 0 390.292 2.994 3 0 GFAFRN 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COc1ccc([C@@H]2NC(=O)C3=C(N2)N(c2ccccc2)C(=O)N2CCC[C@@H]32)cc1 ZINC000045259277 132422416 /nfs/dbraw/zinc/42/24/16/132422416.db2.gz DECVRVFTPMBVQD-HKUYNNGSSA-N 0 0 390.443 2.729 1 0 GFAFRN Cc1ccc(CN2C(=O)[C@H](CC(C)C)Nc3ncnc(N4CCOCC4)c32)cc1 ZINC000061959680 136156164 /nfs/dbraw/zinc/15/61/64/136156164.db2.gz BPIKNRIPVICKFE-SFHVURJKSA-N 0 0 395.507 2.995 3 0 GFAFRN CC(C)c1ccc(NC(=O)[C@H]2CCOC2)c(N2CCN(c3cnccn3)CC2)c1 ZINC000084632678 136175023 /nfs/dbraw/zinc/17/50/23/136175023.db2.gz NICWJNJIKSAVEC-SFHVURJKSA-N 0 0 395.507 2.902 1 0 GFAFRN COc1cc(OC)c2c(=O)cc(CN3CCN(c4ccccn4)CC3)oc2c1 ZINC000095579425 136182227 /nfs/dbraw/zinc/18/22/27/136182227.db2.gz FUIDPMUSAFOMQD-UHFFFAOYSA-N 0 0 381.432 2.527 1 0 GFAFRN COCC(=O)N1CC[C@@H]2[C@H]1c1cc(-c3ccc(OC)cc3)ccc1N(C)[C@H]2CO ZINC000095878049 136182570 /nfs/dbraw/zinc/18/25/70/136182570.db2.gz DEYMDVYMBMQRFX-HARLFGEKSA-N 0 0 396.487 2.709 1 0 GFAFRN CS(=O)(=O)c1ccc(-c2csc3c2oc(N2CCOCC2)cc3=O)cc1 ZINC000101661832 136189804 /nfs/dbraw/zinc/18/98/04/136189804.db2.gz YSQXYRJIHIQPJD-UHFFFAOYSA-N 0 0 391.470 2.762 1 0 GFAFRN CC(C)[C@H]1c2[nH]c3ccccc3c2C[C@H]2C(=O)N[C@@H](COC(C)(C)C)C(=O)N21 ZINC000026960767 221648638 /nfs/dbraw/zinc/64/86/38/221648638.db2.gz BMEMIDCWPDBZLO-LNLFQRSKSA-N 0 0 383.492 2.932 1 0 GFAFRN COC(=O)NC[C@H]1CN(c2ccc(-n3cc4cccnc4c3)c(F)c2)C(=O)O1 ZINC000040567178 221926870 /nfs/dbraw/zinc/92/68/70/221926870.db2.gz VWLPTDLDLDFGTK-AWEZNQCLSA-N 0 0 384.367 2.846 1 0 GFAFRN O[C@](Cn1cncn1)(Cn1nnc2cc(Cl)ccc21)c1ccc(F)cc1F ZINC000049808323 222002582 /nfs/dbraw/zinc/00/25/82/222002582.db2.gz BFNAGQZRDWVRHH-QGZVFWFLSA-N 0 0 390.781 2.542 1 0 GFAFRN Cn1cc(N)cc1C(=O)NCCn1nc2c3c1cccc3C(=O)c1ccccc1-2 ZINC000049803680 222003006 /nfs/dbraw/zinc/00/30/06/222003006.db2.gz FZXSFJQSRFMLGQ-UHFFFAOYSA-N 0 0 385.427 2.598 1 0 GFAFRN NC(=O)c1cc(C(N)=O)n(-c2cccc(-c3ccccc3OC(F)(F)F)c2)n1 ZINC000066260026 222138961 /nfs/dbraw/zinc/13/89/61/222138961.db2.gz NUSVQLKNXPBOPF-UHFFFAOYSA-N 0 0 390.321 2.636 1 0 GFAFRN CC(C)(C)n1cc(C(=O)N2CCN(C(=O)c3ccco3)CC2)c2cccnc21 ZINC000072323114 222226491 /nfs/dbraw/zinc/22/64/91/222226491.db2.gz XYXOGAPSFXKZGE-UHFFFAOYSA-N 0 0 380.448 2.983 2 0 GFAFRN CC(C)CN1C(=O)c2ccccc2[C@@H]1c1nnnn1-c1ccc2c(c1)OCCO2 ZINC000095569273 222355937 /nfs/dbraw/zinc/35/59/37/222355937.db2.gz XUAVTPZRLREHTI-LJQANCHMSA-N 0 0 391.431 2.635 3 0 GFAFRN O[C@H]1CC[C@H](Nc2ncc(F)c(NC34C[C@H]5C[C@H](CC(O)(C5)C3)C4)n2)CC1 ZINC000101134955 222467756 /nfs/dbraw/zinc/46/77/56/222467756.db2.gz IJBCBNGKYORYDI-RPMOLYCXSA-N 0 0 376.476 2.827 1 0 GFAFRN COc1cc2c(cc1OC)[C@H]1O[C@@H](O)c3c4c(ccc3[C@@H]1N(C)CC2)OCO4 ZINC000085801175 571788520 /nfs/dbraw/zinc/78/85/20/571788520.db2.gz XYWRZQQANNOTTD-QKNQBKEWSA-N 0 0 385.416 2.724 1 0 endogenous,in-man GFAFRN