smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCNC(=O)[C@@H](C)NC(=O)c1ccc([N-]S(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)cc1 ZINC000012508140 519888169 /nfs/dbraw/zinc/88/81/69/519888169.db2.gz SNZRLRFTRLUWOO-GFCCVEGCSA-N -1 1 445.501 1.302 50 0 IDAAMM CCOc1ccc([N-]S(=O)(=O)c2ccc(C(=O)NCCN3CCOCC3)cc2)cc1 ZINC000012520987 521130440 /nfs/dbraw/zinc/13/04/40/521130440.db2.gz PLQMNRNZBCANCS-UHFFFAOYSA-N -1 1 433.530 1.948 50 0 IDAAMM COc1ccc2[nH]cc([C@@H](C(=O)[O-])N3CCN(CC(=O)NC[C@@H]4CCCO4)CC3)c2c1 ZINC000020733777 525493634 /nfs/dbraw/zinc/49/36/34/525493634.db2.gz FKEBPWFUVXXEFG-KKSFZXQISA-N -1 1 430.505 1.215 50 0 IDAAMM Cc1nnc(NC(=O)CSc2nc(CC(=O)NCc3cccs3)cc(=O)[n-]2)s1 ZINC000023145305 526362725 /nfs/dbraw/zinc/36/27/25/526362725.db2.gz REESPVGRLYPYHJ-UHFFFAOYSA-N -1 1 436.544 1.581 50 0 IDAAMM Cn1c(=O)[nH]c2ccc(S(=O)(=O)[N-]c3ccc(C(=O)N4CCCC4)cc3)cc2c1=O ZINC000012427751 527020902 /nfs/dbraw/zinc/02/09/02/527020902.db2.gz XRCJZTAAMZRSTA-UHFFFAOYSA-N -1 1 428.470 1.264 50 0 IDAAMM CCN(CC)S(=O)(=O)c1ccc([O-])c(NC(=O)CN2C(=O)COc3ccccc32)c1 ZINC000014227588 535635200 /nfs/dbraw/zinc/63/52/00/535635200.db2.gz RSQHGTUZPCKOTL-UHFFFAOYSA-N -1 1 433.486 1.787 50 0 IDAAMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1 ZINC000000840838 555568124 /nfs/dbraw/zinc/56/81/24/555568124.db2.gz VSTUADXOFOCHGY-UHFFFAOYSA-N -1 1 439.515 1.467 50 0 IDAAMM Cc1ccc(C(c2c([O-])nc3n(c2=O)CCS3)c2c(O)nc3n(c2=O)CCS3)cc1 ZINC000013775100 556307168 /nfs/dbraw/zinc/30/71/68/556307168.db2.gz IISHQFOAYDWQCK-UHFFFAOYSA-N -1 1 442.522 1.911 50 0 IDAAMM CN(C)S(=O)(=O)c1cccc(C(=O)[N-]C(=O)CSc2ncnc3sccc32)c1 ZINC000032815411 556388070 /nfs/dbraw/zinc/38/80/70/556388070.db2.gz JQFAIMWHDPLODS-UHFFFAOYSA-N -1 1 436.540 1.990 50 0 IDAAMM CCN(CC)S(=O)(=O)c1cc(NC(=O)CSc2nc(N)cc(=O)[n-]2)ccc1C ZINC000016035317 556577387 /nfs/dbraw/zinc/57/73/87/556577387.db2.gz YRLLDLGXAWZJGP-UHFFFAOYSA-N -1 1 425.536 1.422 50 0 IDAAMM CSc1nc(=O)[n-]c(C)c1C(=O)N1CCN(S(=O)(=O)c2cc(C)ccc2C)CC1 ZINC000078984998 556737336 /nfs/dbraw/zinc/73/73/36/556737336.db2.gz MTHURTOYSGYXKY-UHFFFAOYSA-N -1 1 436.559 1.976 50 0 IDAAMM Cc1nnnn1-c1ccc(F)c([N-]S(=O)(=O)c2cc(S(C)(=O)=O)ccc2Cl)c1 ZINC000060376701 556807589 /nfs/dbraw/zinc/80/75/89/556807589.db2.gz HURKEVANQYGMEI-UHFFFAOYSA-N -1 1 445.885 1.968 50 0 IDAAMM O=C(CSc1nccc(=O)[n-]1)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl ZINC000032941908 557004066 /nfs/dbraw/zinc/00/40/66/557004066.db2.gz POXODSINMXWQSJ-UHFFFAOYSA-N -1 1 444.922 1.175 50 0 IDAAMM Cc1ccc(-n2c(O)c3[n-][nH]c(C(=O)CCN4C(=O)c5ccccc5C4=O)c-3c2=O)cc1 ZINC000100916780 557202132 /nfs/dbraw/zinc/20/21/32/557202132.db2.gz JIPMAJYWEQFPSK-MJGOQNOKSA-N -1 1 430.420 1.068 50 0 IDAAMM Cc1cccn2c(=O)c3c(nc12)N1CCc2ccccc2[C@H]1[C@]1(C3)C(=O)[N-]C(=O)NC1=O ZINC000018176410 557245549 /nfs/dbraw/zinc/24/55/49/557245549.db2.gz FTJWRGBHGALMTH-INIZCTEOSA-N -1 1 429.436 1.856 50 0 IDAAMM O=c1occ(CN2CCSCC2)c([O-])c1CN1CCn2c(nnc2C(F)(F)F)C1 ZINC000101372958 557278931 /nfs/dbraw/zinc/27/89/31/557278931.db2.gz LPCHFXFVGDGTLP-UHFFFAOYSA-N -1 1 431.440 1.520 50 0 IDAAMM O=S(=O)([N-]c1cccc(F)c1)c1cccc(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)c1 ZINC000031773037 557295515 /nfs/dbraw/zinc/29/55/15/557295515.db2.gz LWFQGBZZIYKJSL-INIZCTEOSA-N -1 1 433.504 1.587 50 0 IDAAMM COc1cc([C@H]2CC(c3c([O-])[nH]c(=O)n(C4CCCCC4)c3=O)=NN2)cc(OC)c1O ZINC000101762128 557296981 /nfs/dbraw/zinc/29/69/81/557296981.db2.gz BTUMZDRGULJDLD-CYBMUJFWSA-N -1 1 430.461 1.909 50 0 IDAAMM COc1ccc([C@@H]2CC(c3c(=O)[nH]c(=O)n(-c4ccccc4OC)c3[O-])=NN2)cc1OC ZINC000101762778 557297589 /nfs/dbraw/zinc/29/75/89/557297589.db2.gz SACUNEWZUZJXBO-ZDUSSCGKSA-N -1 1 438.440 1.696 50 0 IDAAMM COC(=O)C[C@@H](c1ccc(OCC(=O)[O-])c(OC)c1)c1c(O)nc2ccccn2c1=O ZINC000205944068 557368130 /nfs/dbraw/zinc/36/81/30/557368130.db2.gz VUYHSLGLGOWISW-ZDUSSCGKSA-N -1 1 428.397 1.567 50 0 IDAAMM COC(=O)C[C@H](c1ccc(OC)c(OC)c1C(=O)[O-])c1c(O)nc2ccccn2c1=O ZINC000205957266 557389859 /nfs/dbraw/zinc/38/98/59/557389859.db2.gz CYJZNTOZOQPCDD-GFCCVEGCSA-N -1 1 428.397 1.811 50 0 IDAAMM COC(=O)C[C@@H](c1ccc2c(c1)n(C)c(=O)n2C)c1c([O-])nc2ccc(Cl)cn2c1=O ZINC000205969959 557395973 /nfs/dbraw/zinc/39/59/73/557395973.db2.gz UWBDIGJMIUEXDE-ZDUSSCGKSA-N -1 1 442.859 1.939 50 0 IDAAMM O=C([O-])Cn1cc([C@H](C(=O)[O-])[N@H+]2CCCN(c3ncccn3)CC2)c2ccc(F)cc21 ZINC000105690446 557509714 /nfs/dbraw/zinc/50/97/14/557509714.db2.gz BRGRODJDSBVZCB-LJQANCHMSA-N -1 1 427.436 1.993 50 0 IDAAMM COc1ccc2c(c1OC)C(=O)O[C@H]2c1c([O-])[nH]c(=O)n(Cc2ccc(F)cc2)c1=O ZINC000002448812 562927750 /nfs/dbraw/zinc/92/77/50/562927750.db2.gz WWYXQYASDFTHRC-MRXNPFEDSA-N -1 1 428.372 1.707 50 0 IDAAMM Cn1c2ccc(S(=O)(=O)[N-]c3ccc(OC(F)(F)F)cc3)cc2n(C)c(=O)c1=O ZINC000008670840 562960779 /nfs/dbraw/zinc/96/07/79/562960779.db2.gz OJBJXNNPHKHPBT-UHFFFAOYSA-N -1 1 429.376 1.937 50 0 IDAAMM Cc1nn(-c2nc(C)cc(=O)[n-]2)c(C)c1CCC(=O)N1CCN(C(=O)c2ccco2)CC1 ZINC000016849563 569164500 /nfs/dbraw/zinc/16/45/00/569164500.db2.gz REPDGOUCHCMSQA-UHFFFAOYSA-N -1 1 438.488 1.391 50 0 IDAAMM CC[C@H](Sc1nc(N)cc(=O)[n-]1)C(=O)N[C@H](CSCc1ccccc1)C(=O)OC ZINC000006458742 569178446 /nfs/dbraw/zinc/17/84/46/569178446.db2.gz NZGJQPDHMSCHRL-KGLIPLIRSA-N -1 1 436.559 1.814 50 0 IDAAMM COc1ccccc1-n1c(=O)[nH]c(=O)c([C@H]2OC(=O)c3c2ccc(OC)c3OC)c1[O-] ZINC000002103199 569179961 /nfs/dbraw/zinc/17/99/61/569179961.db2.gz QTPRJQCZWHVTKU-INIZCTEOSA-N -1 1 426.381 1.517 50 0 biogenic IDAAMM COc1cccc(-n2c(=O)[nH]c(=O)c([C@@H]3OC(=O)c4c3ccc(OC)c4OC)c2[O-])c1 ZINC000002145159 569186764 /nfs/dbraw/zinc/18/67/64/569186764.db2.gz XZQUSEMXJRUMHM-MRXNPFEDSA-N -1 1 426.381 1.517 50 0 biogenic IDAAMM COc1ccc([C@@H](CC(=O)NCCC(=O)[O-])c2c(O)cc(C)oc2=O)c(OC)c1OC ZINC000253413088 569266040 /nfs/dbraw/zinc/26/60/40/569266040.db2.gz SZTXUMDSGDTUNL-CYBMUJFWSA-N -1 1 435.429 1.793 50 0 biogenic IDAAMM O=C([O-])CC[C@H]1N[C@@]2(C(=O)Nc3ccccc32)[C@@H]2C(=O)N(Cc3ccc(F)cc3)C(=O)[C@H]12 ZINC000002338684 569274915 /nfs/dbraw/zinc/27/49/15/569274915.db2.gz ITLLBGBJIXZGKY-YQYRJILISA-N -1 1 437.427 1.611 50 0 IDAAMM COC[C@H](C)NS(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 ZINC000013041640 569308184 /nfs/dbraw/zinc/30/81/84/569308184.db2.gz LWHPIRTWSWDDLQ-ZDUSSCGKSA-N -1 1 444.531 1.818 50 0 IDAAMM COc1c2c(cc3c1[C@@H](c1c(=O)[nH]c(=O)n(-c4ccccc4F)c1[O-])N(C)CC3)OCO2 ZINC000020412505 569364207 /nfs/dbraw/zinc/36/42/07/569364207.db2.gz MARHQSIMVLSWQT-KRWDZBQOSA-N -1 1 441.415 1.685 50 0 biogenic IDAAMM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1C(=O)N1CCN(C(=O)[C@H](C)O)CC1 ZINC000095451932 569367913 /nfs/dbraw/zinc/36/79/13/569367913.db2.gz XMMLGEXNRUGLCU-HNNXBMFYSA-N -1 1 449.504 1.600 50 0 IDAAMM CS(=O)(=O)[N-]c1cc(F)ccc1NC(=O)c1ccc(S(=O)(=O)N2CCCC2)o1 ZINC000095459649 569369505 /nfs/dbraw/zinc/36/95/05/569369505.db2.gz MFUVTNGZHYMUKA-UHFFFAOYSA-N -1 1 431.467 1.827 50 0 IDAAMM O=C(CSc1c[nH]nn1)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)nn2)cc1 ZINC000095471370 569372012 /nfs/dbraw/zinc/37/20/12/569372012.db2.gz NWSBEGPGBJXBCD-UHFFFAOYSA-N -1 1 425.883 1.780 50 0 IDAAMM Cn1c2cc(S(=O)(=O)[N-]c3ccc(CC(=O)N4CCOCC4)cc3)ccc2oc1=O ZINC000096025692 569380722 /nfs/dbraw/zinc/38/07/22/569380722.db2.gz PJDDOIAOTHHHRM-UHFFFAOYSA-N -1 1 431.470 1.334 50 0 IDAAMM COC(=O)Cc1cc(=O)[n-]c(S[C@H](C)C(=O)Nc2ccc(N3CCOCC3)cc2)n1 ZINC000008720708 569471621 /nfs/dbraw/zinc/47/16/21/569471621.db2.gz VGFNLSSGLDZEJB-CYBMUJFWSA-N -1 1 432.502 1.854 50 0 IDAAMM Cc1ccc2c(c1)[C@]1(N[C@@H](CCC(=O)[O-])[C@H]3C(=O)N(CCc4ccccc4)C(=O)[C@H]31)C(=O)N2 ZINC000008790436 569476031 /nfs/dbraw/zinc/47/60/31/569476031.db2.gz BMRYPTQIJUYKGS-BINBFKAUSA-N -1 1 447.491 1.823 50 0 biogenic IDAAMM COCCCNC(=O)c1c[n-]c2ccc(S(=O)(=O)N3C[C@H](C)C[C@@H](C)C3)cc2c1=O ZINC000009495448 569541088 /nfs/dbraw/zinc/54/10/88/569541088.db2.gz SLEKRNPRZNRSQL-HUUCEWRRSA-N -1 1 435.546 1.961 50 0 IDAAMM CC(=O)c1cccc([N-]S(=O)(=O)c2ccc3c(c2)OC[C@@H](C(=O)N2CCOCC2)O3)c1 ZINC000009683887 569560404 /nfs/dbraw/zinc/56/04/04/569560404.db2.gz SNVXWUCGBYBZJG-FQEVSTJZSA-N -1 1 446.481 1.689 50 0 IDAAMM COc1cccc([N-]S(=O)(=O)c2ccc3c(c2)OC[C@H](C(=O)N2CCOCC2)O3)c1 ZINC000009683751 569560476 /nfs/dbraw/zinc/56/04/76/569560476.db2.gz QUMVKDWOKURXBO-LJQANCHMSA-N -1 1 434.470 1.495 50 0 IDAAMM O=C([O-])[C@H](CC(=O)Nc1ccc(Cl)cc1)CN1CCN(CC(=O)N2CCCC2)CC1 ZINC000071279130 569573480 /nfs/dbraw/zinc/57/34/80/569573480.db2.gz HRJHNYDJXNOCMF-MRXNPFEDSA-N -1 1 436.940 1.609 50 0 IDAAMM O=C([O-])[C@@H](CC(=O)Nc1ccc(Cl)cc1)CN1CCN(CC(=O)N2CCCC2)CC1 ZINC000071279129 569573482 /nfs/dbraw/zinc/57/34/82/569573482.db2.gz HRJHNYDJXNOCMF-INIZCTEOSA-N -1 1 436.940 1.609 50 0 IDAAMM COCCn1nnn(-c2ccc([N-]S(=O)(=O)c3ccc4c(c3)CCCC4)cc2)c1=O ZINC000077100160 569585387 /nfs/dbraw/zinc/58/53/87/569585387.db2.gz XURCCSQZYUJQGN-UHFFFAOYSA-N -1 1 429.502 1.755 50 0 IDAAMM Cc1cc(S(=O)(=O)[N-]c2cc3c(cc2N2CCOCC2)n(C)c(=O)n3C)ccc1F ZINC000008594386 132284465 /nfs/dbraw/zinc/28/44/65/132284465.db2.gz NYODHJXIDZGZNA-UHFFFAOYSA-N -1 1 434.493 1.962 50 0 IDAAMM CCN1c2nc3ccccn3c(=O)c2C[C@]2(C(=O)[N-]C(=O)N(C3CCCCC3)C2=O)[C@@H]1C ZINC000009109521 132302971 /nfs/dbraw/zinc/30/29/71/132302971.db2.gz TWTCQJURLIHJPQ-LFVRLGFBSA-N -1 1 437.500 1.863 50 0 IDAAMM CCCN1C(=O)[N-]C(=O)[C@]2(Cc3c(=O)n4cccc(C)c4nc3N3CCCCC[C@@H]32)C1=O ZINC000009129549 132305714 /nfs/dbraw/zinc/30/57/14/132305714.db2.gz XMLATFSWMODIJN-WAIKUNEKSA-N -1 1 437.500 1.783 50 0 IDAAMM CCN1c2nc3ccccn3c(=O)c2C[C@@]2(C(=O)[N-]C(=O)N(C3CCCCC3)C2=O)[C@H]1C ZINC000016972614 132357125 /nfs/dbraw/zinc/35/71/25/132357125.db2.gz TWTCQJURLIHJPQ-FATZIPQQSA-N -1 1 437.500 1.863 50 0 IDAAMM CCOc1ccc(-c2n[n-]c(=S)n2CCC(=O)N2CCC3(CC2)NC(=O)NC3=O)cc1 ZINC000021474503 520813060 /nfs/dbraw/zinc/81/30/60/520813060.db2.gz YXCXCORURZWYDB-UHFFFAOYSA-N -1 1 444.517 1.597 50 0 IDAAMM CCOC(=O)N1CCN(C(=O)CSc2nnc([N-]C(=O)c3cc(C)on3)s2)CC1 ZINC000042379159 520945516 /nfs/dbraw/zinc/94/55/16/520945516.db2.gz YGEJWTGIPSHERY-UHFFFAOYSA-N -1 1 440.507 1.480 50 0 IDAAMM CCOC(=O)[C@@H]1CCCN(c2nc3c(c(=O)[n-]2)[C@@H](C(=O)Nc2ccccc2)CC(=O)N3)C1 ZINC000035580966 521123957 /nfs/dbraw/zinc/12/39/57/521123957.db2.gz UDRIHXBXCAHQGU-HIFRSBDPSA-N -1 1 439.472 1.614 50 0 IDAAMM CCOc1ccc([N-]S(=O)(=O)c2cccc(C(=O)NCCN3CCOCC3)c2)cc1 ZINC000012557242 521133044 /nfs/dbraw/zinc/13/30/44/521133044.db2.gz TYHHVJYXEIFUKU-UHFFFAOYSA-N -1 1 433.530 1.948 50 0 IDAAMM COc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCCN3C(C)=O)cc1S(N)(=O)=O ZINC000012507873 524694473 /nfs/dbraw/zinc/69/44/73/524694473.db2.gz UMEDRUJAOVWBCT-UHFFFAOYSA-N -1 1 439.515 1.443 50 0 IDAAMM Cn1c2ccc(S(=O)(=O)[N-]c3cccc(C(=O)N4CCOCC4)c3)cc2sc1=O ZINC000012428071 527105784 /nfs/dbraw/zinc/10/57/84/527105784.db2.gz TWFCGNLIJRGBBE-UHFFFAOYSA-N -1 1 433.511 1.873 50 0 IDAAMM O=S(=O)([N-]c1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccc2c(c1)OCCO2 ZINC000000893908 555580040 /nfs/dbraw/zinc/58/00/40/555580040.db2.gz OIIZFLCGFVTNLS-UHFFFAOYSA-N -1 1 440.499 1.280 50 0 IDAAMM O=C(CCn1c(=O)oc2ccccc21)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1[O-] ZINC000014245228 556405018 /nfs/dbraw/zinc/40/50/18/556405018.db2.gz MNVPPPZAMHLMGD-UHFFFAOYSA-N -1 1 447.469 1.350 50 0 IDAAMM CC(C)n1c(=O)[nH]c([O-])c([C@@H]2c3ccc(O)cc3Oc3[nH]c(=O)n(C(C)C)c(=O)c32)c1=O ZINC000013556826 556516892 /nfs/dbraw/zinc/51/68/92/556516892.db2.gz NQWWSJUFPRVTIR-ZDUSSCGKSA-N -1 1 442.428 1.246 50 0 IDAAMM CCCc1cc(=O)[n-]c(SCC(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2OC)n1 ZINC000016046446 556580364 /nfs/dbraw/zinc/58/03/64/556580364.db2.gz YFAXHNIKJUXIDU-UHFFFAOYSA-N -1 1 440.547 1.712 50 0 IDAAMM COC(=O)c1ccc([N-]S(=O)(=O)c2cc(N3C(=O)CCS3(=O)=O)ccc2C)cc1 ZINC000011858305 556663932 /nfs/dbraw/zinc/66/39/32/556663932.db2.gz OMJUYIQJKYDHGQ-UHFFFAOYSA-N -1 1 438.483 1.649 50 0 IDAAMM COc1ccccc1C(=O)N1CCN(CCNC(=O)c2nc3ccccc3c(=O)[n-]2)CC1 ZINC000044892491 556675888 /nfs/dbraw/zinc/67/58/88/556675888.db2.gz PICOOSQOHDSKER-UHFFFAOYSA-N -1 1 435.484 1.532 50 0 IDAAMM CC(=O)N1CCc2cc(S(=O)(=O)[N-]c3ccc4c(c3)N(S(C)(=O)=O)CC4)ccc21 ZINC000019819466 556922859 /nfs/dbraw/zinc/92/28/59/556922859.db2.gz BYDORISLGUDQAQ-UHFFFAOYSA-N -1 1 435.527 1.719 50 0 IDAAMM CCOC(=O)c1ccccc1NC(=O)CSc1nc(CC(=O)NC2CC2)cc(=O)[n-]1 ZINC000023145263 557026910 /nfs/dbraw/zinc/02/69/10/557026910.db2.gz XEPMUHVIVMZYLC-UHFFFAOYSA-N -1 1 430.486 1.499 50 0 IDAAMM O=C(NCCN1CCOCC1)c1cccc(S(=O)(=O)[N-]c2ccc3c(c2)OCO3)c1 ZINC000023846573 557120273 /nfs/dbraw/zinc/12/02/73/557120273.db2.gz GMXMFVGZWWJCBB-UHFFFAOYSA-N -1 1 433.486 1.278 50 0 IDAAMM COc1ccccc1-n1c(=O)[nH]c(=O)c(C2=NN(C(C)=O)[C@H](c3cccs3)C2)c1[O-] ZINC000101456586 557287254 /nfs/dbraw/zinc/28/72/54/557287254.db2.gz VHYKSSGBXGUBDI-AWEZNQCLSA-N -1 1 426.454 1.999 50 0 IDAAMM CN(Cc1ccccc1)C(=O)c1c[n-]c2ccc(S(=O)(=O)N3CCOCC3)cc2c1=O ZINC000006180949 562946430 /nfs/dbraw/zinc/94/64/30/562946430.db2.gz UPIKKBYZEMQZLM-UHFFFAOYSA-N -1 1 441.509 1.821 50 0 IDAAMM 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CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)OCC)C2)c(OC)c1 ZINC000089960385 569169101 /nfs/dbraw/zinc/16/91/01/569169101.db2.gz WUAVQJLFSRONQN-CQSZACIVSA-N -1 1 448.563 1.811 50 0 IDAAMM Cc1ccc2c(c1)[C@@]1(N[C@H](CCC(=O)[O-])[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]31)C(=O)N2 ZINC000002129172 569184304 /nfs/dbraw/zinc/18/43/04/569184304.db2.gz YJTFAPLZYSXKBF-HMSHQKHKSA-N -1 1 433.464 1.780 50 0 biogenic IDAAMM Cc1cccc2c1NC(=O)[C@]21N[C@@H](CCC(=O)[O-])[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]21 ZINC000002130499 569184923 /nfs/dbraw/zinc/18/49/23/569184923.db2.gz FKWBHSUGFQMCEU-DOGKRZLPSA-N -1 1 433.464 1.780 50 0 biogenic IDAAMM COC(=O)C[C@@H](c1ccc(OC)c(OC)c1C(=O)[O-])c1c(O)nc2ccccn2c1=O ZINC000096114470 569382856 /nfs/dbraw/zinc/38/28/56/569382856.db2.gz DTMNBSBYHJPYDX-LBPRGKRZSA-N -1 1 428.397 1.811 50 0 biogenic IDAAMM Cn1nc(C(=O)OCC(=O)[N-]C(=O)c2ccc(OC(F)F)cc2)c2ccccc2c1=O ZINC000003340845 569446882 /nfs/dbraw/zinc/44/68/82/569446882.db2.gz KLRJIZSLRZUQFF-UHFFFAOYSA-N -1 1 431.351 1.648 50 0 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COc1ccc(N2C[C@H](C(=O)Nc3cc(C)nn3-c3nc4c(c(=O)[n-]3)CCC4)CC2=O)cc1 ZINC000009660406 569556799 /nfs/dbraw/zinc/55/67/99/569556799.db2.gz UCQWASCFMQEZPO-CQSZACIVSA-N -1 1 448.483 1.753 50 0 IDAAMM Cc1cccn2c(=O)c3c(nc12)N1CCc2ccccc2[C@@H]1[C@]1(C3)C(=O)[N-]C(=O)NC1=O ZINC000009087918 132302450 /nfs/dbraw/zinc/30/24/50/132302450.db2.gz FTJWRGBHGALMTH-MRXNPFEDSA-N -1 1 429.436 1.856 50 0 IDAAMM COCC(=O)Nc1ccc(N2CCOCC2)c(S(=O)(=O)[N-]c2ccc(OC)cc2)c1 ZINC000009444343 132317929 /nfs/dbraw/zinc/31/79/29/132317929.db2.gz JYNWGJJSOIYQOD-UHFFFAOYSA-N -1 1 435.502 1.918 50 0 IDAAMM Cc1nc(N2CCOCC2)[n-]c(=O)c1CCC(=O)Nc1cnc2c(cnn2C(C)C)c1 ZINC000010366577 132335694 /nfs/dbraw/zinc/33/56/94/132335694.db2.gz PDYNCTRYXSVRTK-UHFFFAOYSA-N -1 1 425.493 1.812 50 0 IDAAMM CC(=O)N1CCN(C(=O)c2ccc([N-]S(=O)(=O)c3ccc4c(c3)OCCO4)cc2)CC1 ZINC000012521385 519581080 /nfs/dbraw/zinc/58/10/80/519581080.db2.gz RQXJYBUMYBTLLH-UHFFFAOYSA-N -1 1 445.497 1.563 50 0 IDAAMM CCCNC(=O)[C@H](C)NC(=O)c1ccc([N-]S(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)cc1 ZINC000012508141 519892562 /nfs/dbraw/zinc/89/25/62/519892562.db2.gz SNZRLRFTRLUWOO-LBPRGKRZSA-N -1 1 445.501 1.302 50 0 IDAAMM COc1ccc(-c2n[n-]c(=S)n2CC(=O)N2CCN(CC(=O)NC(C)(C)C)CC2)cc1 ZINC000021927283 523175866 /nfs/dbraw/zinc/17/58/66/523175866.db2.gz KNSMBGGKSVYCCM-UHFFFAOYSA-N -1 1 446.577 1.675 50 0 IDAAMM CN1CCc2c3ccccc3[nH]c2[C@@H]1c1c(=O)[nH]c(=O)n(I)c1[O-] ZINC000020611860 523996999 /nfs/dbraw/zinc/99/69/99/523996999.db2.gz YWQHYPHUSFBFLL-ZDUSSCGKSA-N -1 1 438.225 1.499 50 0 biogenic IDAAMM COc1ccccc1-c1nc2cc(=O)[n-]n2c(SCC(=O)Nc2nnc(C)s2)n1 ZINC000021537280 524281454 /nfs/dbraw/zinc/28/14/54/524281454.db2.gz IUOIWIFOBUGCPH-UHFFFAOYSA-N -1 1 429.487 1.984 50 0 IDAAMM O=C(CN1CCN(C(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)CC1)NC1CC1 ZINC000035400176 526764784 /nfs/dbraw/zinc/76/47/84/526764784.db2.gz UXFBORBSYCYQOK-UHFFFAOYSA-N -1 1 442.541 1.524 50 0 IDAAMM Cc1nc(N2CCOCC2)[n-]c(=O)c1CCC(=O)NCc1ccc(N2CCCC2=O)cc1 ZINC000012825421 526970969 /nfs/dbraw/zinc/97/09/69/526970969.db2.gz MACQJXAUOQPHHM-UHFFFAOYSA-N -1 1 439.516 1.291 50 0 IDAAMM O=C(Nc1ccc(F)cc1)N1CCN(C(=O)c2ccc(S(=O)(=O)[N-]C3CC3)o2)CC1 ZINC000033016743 527201546 /nfs/dbraw/zinc/20/15/46/527201546.db2.gz KQCNCXWHCGJZEL-UHFFFAOYSA-N -1 1 436.465 1.849 50 0 IDAAMM C[C@@]1(c2ccc([N-]S(=O)(=O)c3ccc(N4CCCC4=O)cc3)cc2)NC(=O)NC1=O ZINC000032818928 556393852 /nfs/dbraw/zinc/39/38/52/556393852.db2.gz XSOHLNIPYHKYDG-FQEVSTJZSA-N -1 1 428.470 1.669 50 0 IDAAMM Cn1cc(S(=O)(=O)[N-]C[C@H](c2c[nH]c3ccccc32)c2ccccc2)c(=O)n(C)c1=O ZINC000012936930 556416536 /nfs/dbraw/zinc/41/65/36/556416536.db2.gz KRABMZBJZUJVCZ-KRWDZBQOSA-N -1 1 438.509 1.676 50 0 IDAAMM COC(=O)c1c(C)c(C(=O)N2CCOCC2)sc1S(=O)(=O)[N-]Cc1ccccc1 ZINC000016642687 556619724 /nfs/dbraw/zinc/61/97/24/556619724.db2.gz RGFGKFCCIRPIJS-UHFFFAOYSA-N -1 1 438.527 1.794 50 0 IDAAMM CCCCN1C(=O)[N-]C(=O)[C@]2(Cc3c(=O)n4ccccc4nc3N3CCCCC[C@@H]32)C1=O ZINC000017016897 556653050 /nfs/dbraw/zinc/65/30/50/556653050.db2.gz IUABTZSJJDEPRP-WAIKUNEKSA-N -1 1 437.500 1.865 50 0 IDAAMM COC(=O)c1ccc([N-]S(=O)(=O)c2ccc(N3C(=O)CCS3(=O)=O)cc2C)cc1 ZINC000011858103 556663360 /nfs/dbraw/zinc/66/33/60/556663360.db2.gz JPGNYWAPOJPJRJ-UHFFFAOYSA-N -1 1 438.483 1.649 50 0 IDAAMM COC(=O)c1cccc([N-]S(=O)(=O)c2ccc(N3C(=O)[C@@H](C)CS3(=O)=O)cc2)c1 ZINC000011905033 556670963 /nfs/dbraw/zinc/67/09/63/556670963.db2.gz ZOIRXTPTOBTKRZ-LBPRGKRZSA-N -1 1 438.483 1.587 50 0 IDAAMM Cc1nc(-c2ccccn2)[n-]c(=O)c1CCC(=O)NCc1ccc(N2CCOCC2)nc1 ZINC000058063471 556756111 /nfs/dbraw/zinc/75/61/11/556756111.db2.gz OMDSIGOGOKJMPI-UHFFFAOYSA-N -1 1 434.500 1.621 50 0 IDAAMM CCN(CC)S(=O)(=O)c1ccc([O-])c(NC(=O)Cn2nnc3ccccc3c2=O)c1 ZINC000024763164 557164588 /nfs/dbraw/zinc/16/45/88/557164588.db2.gz OLCPWQYIVQTXTB-UHFFFAOYSA-N -1 1 431.474 1.166 50 0 IDAAMM CCC(=O)N1N=C(c2c(=O)[nH]c(=O)n(-c3ccccc3OC)c2[O-])C[C@H]1c1cccnc1 ZINC000101401091 557280185 /nfs/dbraw/zinc/28/01/85/557280185.db2.gz ZXFJWEGOYGOCNF-INIZCTEOSA-N -1 1 435.440 1.723 50 0 IDAAMM COc1cc([C@@H]2CC(c3c(=O)[nH]c(=S)n(C)c3[O-])=NN2C(C)=O)cc(OC)c1OC ZINC000101495070 557288485 /nfs/dbraw/zinc/28/84/85/557288485.db2.gz GIHMQDFFTQNRKW-LBPRGKRZSA-N -1 1 434.474 1.872 50 0 IDAAMM COCCN1C(=O)[N-]C(=O)[C@@]2(Cc3ccccc3N3CCN(c4ccccc4)C[C@H]32)C1=O ZINC000229901887 557833888 /nfs/dbraw/zinc/83/38/88/557833888.db2.gz XXVALQCLLLNFGZ-RDPSFJRHSA-N -1 1 434.496 1.649 50 0 IDAAMM O=C1[N-]C(=S)NC(=O)C12[C@H](c1ccc(F)cc1)NC(=S)N[C@H]2c1ccc(F)cc1 ZINC000013110829 562984541 /nfs/dbraw/zinc/98/45/41/562984541.db2.gz UDWDDKIXDYGXST-KBPBESRZSA-N -1 1 432.477 1.742 50 0 IDAAMM COc1ccc(S(=O)(=O)N2CCN(C(=O)c3c(C)[n-]c(=O)nc3SC)CC2)cc1 ZINC000084019572 568789967 /nfs/dbraw/zinc/78/99/67/568789967.db2.gz ALTMSGYACIJRFI-UHFFFAOYSA-N -1 1 438.531 1.368 50 0 IDAAMM COc1ccc(N2C(=O)[C@@H](C)CS2(=O)=O)cc1S(=O)(=O)[N-]c1ccccc1F ZINC000013729812 569156931 /nfs/dbraw/zinc/15/69/31/569156931.db2.gz FYHRDLUGIQXMQZ-NSHDSACASA-N -1 1 428.463 1.948 50 0 IDAAMM CCN(CC)S(=O)(=O)c1ccc(Cl)c(NC(=O)CSc2nc(N)cc(=O)[n-]2)c1 ZINC000014180456 569158049 /nfs/dbraw/zinc/15/80/49/569158049.db2.gz BKBURUOVRKQMRW-UHFFFAOYSA-N -1 1 445.954 1.767 50 0 IDAAMM CCOC(=O)[C@@H]1CCCN(C(=O)CCc2c(C)nn(-c3nc(C)c(C)c(=O)[n-]3)c2C)C1 ZINC000016980692 569169264 /nfs/dbraw/zinc/16/92/64/569169264.db2.gz SDCINUBWVNUPEX-QGZVFWFLSA-N -1 1 429.521 1.924 50 0 IDAAMM Cc1ccc2c(c1)[C@]1(N[C@@H](CCC(=O)[O-])[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]31)C(=O)N2 ZINC000002129178 569184309 /nfs/dbraw/zinc/18/43/09/569184309.db2.gz YJTFAPLZYSXKBF-QLBZUPSYSA-N -1 1 433.464 1.780 50 0 biogenic IDAAMM O=C([O-])CC[C@@H]1N[C@@]2(C(=O)Nc3ccccc32)[C@@H]2C(=O)N(C3CCCCCC3)C(=O)[C@@H]21 ZINC000002130456 569184928 /nfs/dbraw/zinc/18/49/28/569184928.db2.gz OECOESKZBWEZIY-QYUDBREXSA-N -1 1 425.485 1.995 50 0 biogenic IDAAMM COC(=O)c1cncc(S(=O)(=O)Nc2ccc(N3CCSCC3)cc2C(=O)[O-])c1 ZINC000328593588 569317419 /nfs/dbraw/zinc/31/74/19/569317419.db2.gz MFTSCAQGEKLSLB-UHFFFAOYSA-N -1 1 437.499 1.920 50 0 IDAAMM Cc1ccc(S(=O)(=O)[N-]c2cc(C(N)=O)ccc2CN2C(=O)CN(C)C2=O)cc1C ZINC000079105813 569325760 /nfs/dbraw/zinc/32/57/60/569325760.db2.gz FUGCNLIGSKHXFE-UHFFFAOYSA-N -1 1 430.486 1.597 50 0 IDAAMM Cc1n[n-]c(=S)n1CCNC(=O)CS(=O)(=O)Cc1ccc(Br)cc1 ZINC000095404451 569364324 /nfs/dbraw/zinc/36/43/24/569364324.db2.gz MAXXQNYEBCZABL-UHFFFAOYSA-N -1 1 433.353 1.743 50 0 IDAAMM COCC(=O)N1CCCc2ccc([N-]S(=O)(=O)c3ccc4oc(=O)n(C)c4c3)cc21 ZINC000096025625 569380745 /nfs/dbraw/zinc/38/07/45/569380745.db2.gz XTJQNJWEONTVOR-UHFFFAOYSA-N -1 1 431.470 1.858 50 0 IDAAMM O=S(=O)([N-]c1cccc(F)c1)c1cccc(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)c1 ZINC000031773035 569457304 /nfs/dbraw/zinc/45/73/04/569457304.db2.gz LWFQGBZZIYKJSL-MRXNPFEDSA-N -1 1 433.504 1.587 50 0 IDAAMM CC[C@@H](C)[C@H](NC(=O)C1CCN(C(=O)[C@@H](N)Cc2c[nH]c3ccccc23)CC1)C(=O)[O-] ZINC000004073864 569458636 /nfs/dbraw/zinc/45/86/36/569458636.db2.gz LEOVEARNUMKFIH-WNYOCNMUSA-N -1 1 428.533 1.892 50 0 biogenic IDAAMM Cc1ccc2c(c1)[C@]1(N[C@H](CCC(=O)[O-])[C@H]3C(=O)N(CCc4ccccc4)C(=O)[C@H]31)C(=O)N2 ZINC000008790438 569476071 /nfs/dbraw/zinc/47/60/71/569476071.db2.gz BMRYPTQIJUYKGS-MASGSYHESA-N -1 1 447.491 1.823 50 0 biogenic IDAAMM CCN(CC)S(=O)(=O)c1ccc(C)c(NS(=O)(=O)c2cc(C(=O)[O-])n(C)c2)c1 ZINC000040060221 569484859 /nfs/dbraw/zinc/48/48/59/569484859.db2.gz OCCGRWBQXARAHO-UHFFFAOYSA-N -1 1 429.520 1.863 50 0 IDAAMM Cn1cc(S(=O)(=O)[N-]C[C@H](c2cccs2)c2c[nH]c3ccccc32)c(=O)n(C)c1=O ZINC000009620486 569553503 /nfs/dbraw/zinc/55/35/03/569553503.db2.gz KIPTXGADKIXXKN-HNNXBMFYSA-N -1 1 444.538 1.737 50 0 IDAAMM COc1ccc(C(=O)[N-]C(=O)COC(=O)c2ccc(S(=O)(=O)C(F)F)cc2)cc1 ZINC000009788320 569567931 /nfs/dbraw/zinc/56/79/31/569567931.db2.gz FQXNVFWSVXQIBV-UHFFFAOYSA-N -1 1 427.381 1.805 50 0 IDAAMM CCCN1C(=O)[N-]C(=O)[C@@]2(Cc3c(=O)n4cccc(C)c4nc3N3CCCCC[C@@H]32)C1=O ZINC000009129550 132305799 /nfs/dbraw/zinc/30/57/99/132305799.db2.gz XMLATFSWMODIJN-MWTRTKDXSA-N -1 1 437.500 1.783 50 0 IDAAMM Cc1nc(N2CCOCC2)[n-]c(=O)c1CCC(=O)N1CCC(C(=O)c2ccccc2)CC1 ZINC000009989916 132333593 /nfs/dbraw/zinc/33/35/93/132333593.db2.gz LFGNVQTYOOLJAQ-UHFFFAOYSA-N -1 1 438.528 1.969 50 0 IDAAMM CCOC(=O)C1=C(CSc2nc(N)cc(=O)[n-]2)NC(=O)N[C@@H]1c1ccc2c(c1)OCO2 ZINC000012412590 520526404 /nfs/dbraw/zinc/52/64/04/520526404.db2.gz SERWYQFBOORPLN-MRXNPFEDSA-N -1 1 445.457 1.044 50 0 IDAAMM CCOc1ccc([N-]S(=O)(=O)c2ccc(C(N)=O)cc2)cc1S(=O)(=O)N(C)C ZINC000012557021 521131054 /nfs/dbraw/zinc/13/10/54/521131054.db2.gz AUNLKHRBGCSZEV-UHFFFAOYSA-N -1 1 427.504 1.235 50 0 IDAAMM COc1ccc(OC)c(NC(=O)[C@H]2CC(=O)Nc3nc(N4CCCCC4)[n-]c(=O)c32)c1 ZINC000012322894 524864879 /nfs/dbraw/zinc/86/48/79/524864879.db2.gz KYDJFKLAGUTNJT-ZDUSSCGKSA-N -1 1 427.461 1.842 50 0 IDAAMM C[C@H](NC(=O)C1(c2ccccc2)CCN(C(=O)[C@@H]2Cc3ccccc3CN2)CC1)C(=O)[O-] ZINC000012884188 524901176 /nfs/dbraw/zinc/90/11/76/524901176.db2.gz MLTOPVZAUXVNSA-UWJYYQICSA-N -1 1 435.524 1.851 50 0 biogenic IDAAMM Cc1cc(=O)[n-]c(-n2nc(C3CC3)cc2NC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)n1 ZINC000012123580 526119232 /nfs/dbraw/zinc/11/92/32/526119232.db2.gz LHAXMSBYJWZXNK-UHFFFAOYSA-N -1 1 442.501 1.644 50 0 IDAAMM COC(=O)c1sc(S(=O)(=O)N[C@H](CCSC)C(=O)[O-])c(C(=O)OC)c1C ZINC000003296773 555915678 /nfs/dbraw/zinc/91/56/78/555915678.db2.gz YTJKBBDBJDDGEQ-MRVPVSSYSA-N -1 1 425.506 1.114 50 0 IDAAMM C[C@]1(c2ccc([N-]S(=O)(=O)c3ccc(N4CCCC4=O)cc3)cc2)NC(=O)NC1=O ZINC000032818929 556393765 /nfs/dbraw/zinc/39/37/65/556393765.db2.gz XSOHLNIPYHKYDG-HXUWFJFHSA-N -1 1 428.470 1.669 50 0 IDAAMM CCOC(=O)C1=C([O-])C(=O)N(c2ccc(S(N)(=O)=O)cc2)[C@@H]1c1ccc(OC)cc1 ZINC000013127371 556476095 /nfs/dbraw/zinc/47/60/95/556476095.db2.gz BSHMBAHJMWWVFR-QGZVFWFLSA-N -1 1 432.454 1.806 50 0 IDAAMM COc1ccc(NS(=O)(=O)c2ccc([O-])c(NC(=O)CNC(=O)[C@H]3C[C@H]3C)c2)cc1 ZINC000023190421 557072256 /nfs/dbraw/zinc/07/22/56/557072256.db2.gz VOPXWRMELMSDCT-WBMJQRKESA-N -1 1 433.486 1.912 50 0 IDAAMM O=C(COC(=O)C[N-]S(=O)(=O)c1ccc(F)c(F)c1F)NCCc1ccccc1 ZINC000010901219 557226200 /nfs/dbraw/zinc/22/62/00/557226200.db2.gz VXZQJLWKKLHXOQ-UHFFFAOYSA-N -1 1 430.404 1.284 50 0 IDAAMM CC(=O)Nc1ccc2c(c1)CC1(C(=O)[N-]C(=O)NC1=O)[C@@H]1CN(c3ccccc3)CCN21 ZINC000018155848 557244196 /nfs/dbraw/zinc/24/41/96/557244196.db2.gz DVWJOYXFWMOIMC-IBGZPJMESA-N -1 1 433.468 1.249 50 0 IDAAMM COc1cc([C@H]2CC(c3c([O-])[nH]c(=O)n(Cc4ccccc4)c3=O)=NN2)cc(OC)c1O ZINC000101762399 557297052 /nfs/dbraw/zinc/29/70/52/557297052.db2.gz HKCKCEUHOJBPHE-CQSZACIVSA-N -1 1 438.440 1.452 50 0 IDAAMM COc1ccc(OC)c([C@H]2CC(c3c(=O)[nH]c(=O)n(CCc4ccccc4)c3[O-])=NN2)c1 ZINC000101762549 557297225 /nfs/dbraw/zinc/29/72/25/557297225.db2.gz KMMRIYODPHXFAK-QGZVFWFLSA-N -1 1 436.468 1.941 50 0 IDAAMM Nc1nc(SCC(=O)NC[C@H]2CCCO2)[n-]c(=O)c1NC(=O)c1ccc(Cl)cc1 ZINC000012033353 557524488 /nfs/dbraw/zinc/52/44/88/557524488.db2.gz JRXYXGXFMXTOMU-GFCCVEGCSA-N -1 1 437.909 1.645 50 0 IDAAMM Nc1nc(SCC(=O)NC[C@H]2CCCO2)[n-]c(=O)c1NC(=O)c1ccc(F)c(F)c1 ZINC000012033487 557524740 /nfs/dbraw/zinc/52/47/40/557524740.db2.gz MOJHSHBPFMDQOB-SNVBAGLBSA-N -1 1 439.444 1.270 50 0 IDAAMM CCN(CC)S(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccc3oc(=O)[nH]c3c2)cc1 ZINC000003419207 562935457 /nfs/dbraw/zinc/93/54/57/562935457.db2.gz WNELTDSSGBODJF-UHFFFAOYSA-N -1 1 425.488 1.952 50 0 IDAAMM O=C(Nc1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCCO3)cc1)[C@@H]1CCNC(=O)C1 ZINC000084405342 568797814 /nfs/dbraw/zinc/79/78/14/568797814.db2.gz RQMIJJGHYNKKCX-CYBMUJFWSA-N -1 1 431.470 1.723 50 0 IDAAMM C[C@@H]1CSc2ccc(S(=O)(=O)[N-]c3ccc(S(N)(=O)=O)cc3)cc2NC1=O ZINC000015731094 568814157 /nfs/dbraw/zinc/81/41/57/568814157.db2.gz YSFKOUKFZLWDEI-SNVBAGLBSA-N -1 1 427.529 1.815 50 0 IDAAMM O=C(C1CC1)N1CCN(c2nc(CN3CCN(Cc4ccccc4)CC3)cc(=O)[nH]2)CC1 ZINC000035926321 568931622 /nfs/dbraw/zinc/93/16/22/568931622.db2.gz RJXHPZRTXJIIIT-UHFFFAOYSA-N -1 1 436.560 1.146 50 0 IDAAMM O=C(NC1(c2nn[n-]n2)CC1)c1sccc1S(=O)(=O)N1CCc2ccccc2C1 ZINC000170605837 569143891 /nfs/dbraw/zinc/14/38/91/569143891.db2.gz YNPMIKJFBOORHK-UHFFFAOYSA-N -1 1 430.515 1.427 50 0 IDAAMM Cc1ccc2c(c1C)NC(=O)[C@@]21N[C@H](CCC(=O)[O-])[C@H]2C(=O)N(C3CCCC3)C(=O)[C@H]21 ZINC000002128886 569184269 /nfs/dbraw/zinc/18/42/69/569184269.db2.gz PCTAVKIIFJGKCY-SAQZZPNQSA-N -1 1 425.485 1.831 50 0 biogenic IDAAMM Cc1ccc2c(c1)[C@]1(N[C@@H](CCC(=O)[O-])[C@H]3C(=O)N(C4CCCCC4)C(=O)[C@H]31)C(=O)N2 ZINC000002134326 569185251 /nfs/dbraw/zinc/18/52/51/569185251.db2.gz AHGOZVVUHWJLQW-QYUDBREXSA-N -1 1 425.485 1.913 50 0 biogenic IDAAMM COc1c2c(cc3c1[C@H](c1c([O-])[nH]c(=O)n(Cc4ccccc4)c1=O)N(C)CC3)OCO2 ZINC000020111466 569334501 /nfs/dbraw/zinc/33/45/01/569334501.db2.gz APQDIRFZJARDGZ-GOSISDBHSA-N -1 1 437.452 1.605 50 0 biogenic IDAAMM Cc1[nH]n(-c2ccc(C)c(C)c2)c(=O)c1C=C1C(=O)N(CC(=O)[O-])C(=O)C(C(N)=O)=C1C ZINC000096580363 569401646 /nfs/dbraw/zinc/40/16/46/569401646.db2.gz ALJCDAROGHVCBZ-NVNXTCNLSA-N -1 1 438.440 1.142 50 0 IDAAMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)NCc2nc(C3CC3)no2)c(OC)c1 ZINC000097230106 569403429 /nfs/dbraw/zinc/40/34/29/569403429.db2.gz GHDDDJMZDYJGMI-UHFFFAOYSA-N -1 1 430.508 1.586 50 0 IDAAMM O=C(c1cccc([N-]S(=O)(=O)c2cccc(F)c2)c1)N1CC[C@H](N2C(=O)COC2=O)C1 ZINC000225700848 569407262 /nfs/dbraw/zinc/40/72/62/569407262.db2.gz VAYJNARYCCTPSA-INIZCTEOSA-N -1 1 447.444 1.820 50 0 IDAAMM COc1cccc([N-]S(=O)(=O)c2cccc(S(=O)(=O)[C@@H]3CCS(=O)(=O)C3)c2)c1 ZINC000031772969 569457332 /nfs/dbraw/zinc/45/73/32/569457332.db2.gz KFBPHCKCJLBHRK-QGZVFWFLSA-N -1 1 445.540 1.457 50 0 IDAAMM CN(C)c1ccc(S(=O)(=O)N(C)C)cc1[N-]S(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000009468856 569538657 /nfs/dbraw/zinc/53/86/57/569538657.db2.gz XEYXXQKDDKYGMZ-UHFFFAOYSA-N -1 1 441.531 1.575 50 0 IDAAMM COc1cccc(N2C[C@@H](C(=O)Nc3cc(C)nn3-c3nc4c(c(=O)[n-]3)CCC4)CC2=O)c1 ZINC000009822630 569569585 /nfs/dbraw/zinc/56/95/85/569569585.db2.gz FQLKIAKKHWKZML-AWEZNQCLSA-N -1 1 448.483 1.753 50 0 IDAAMM CCCCCN1C(=O)[N-]C(=O)[C@@]2(Cc3c(=O)n4ccccc4nc3N(CC)[C@@H]2C)C1=O ZINC000008739121 132292484 /nfs/dbraw/zinc/29/24/84/132292484.db2.gz GSJPVWMHGHBZSS-PEBXRYMYSA-N -1 1 425.489 1.720 50 0 IDAAMM CC(C)CN1C(=O)[N-]C(=O)[C@@]2(Cc3c(=O)n4ccccc4nc3N3CCCCC[C@@H]32)C1=O ZINC000009448852 132317941 /nfs/dbraw/zinc/31/79/41/132317941.db2.gz SFSFCPFIULJWDS-MWTRTKDXSA-N -1 1 437.500 1.720 50 0 IDAAMM CSCC[C@H](NC(=O)C1CCN(C(=O)[C@@H](N)Cc2c[nH]c3ccccc23)CC1)C(=O)[O-] ZINC000012871079 525587679 /nfs/dbraw/zinc/58/76/79/525587679.db2.gz YPNGHVORCMSPKR-HKUYNNGSSA-N -1 1 446.573 1.599 50 0 biogenic IDAAMM Cc1cc2c(cc1S(=O)(=O)[N-]c1cccc(C(=O)N3CCOCC3)c1)NC(=O)CO2 ZINC000012446846 525615575 /nfs/dbraw/zinc/61/55/75/525615575.db2.gz SKSZSLIZMWOSSJ-UHFFFAOYSA-N -1 1 431.470 1.599 50 0 IDAAMM COC(=O)c1sc(S(=O)(=O)N[C@@H](CCSC)C(=O)[O-])c(C(=O)OC)c1C ZINC000003296772 555915590 /nfs/dbraw/zinc/91/55/90/555915590.db2.gz YTJKBBDBJDDGEQ-QMMMGPOBSA-N -1 1 425.506 1.114 50 0 IDAAMM CCc1c(C(=O)OC)c2cc([N-]S(=O)(=O)CC)c(OC)cc2n1S(=O)(=O)CC ZINC000006142919 556077534 /nfs/dbraw/zinc/07/75/34/556077534.db2.gz PQRVPGDBQMYXSC-UHFFFAOYSA-N -1 1 432.520 1.958 50 0 IDAAMM CCCc1cc(=O)[n-]c(SCC(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3)C2)n1 ZINC000008586410 556188322 /nfs/dbraw/zinc/18/83/22/556188322.db2.gz XBIMBKBUEDOMLD-UHFFFAOYSA-N -1 1 436.559 1.614 50 0 IDAAMM Cc1nc2ccc([N-]S(=O)(=O)c3ccc4c(c3)n(C)c(=O)c(=O)n4C)cc2nc1C ZINC000009010485 556240837 /nfs/dbraw/zinc/24/08/37/556240837.db2.gz QNZGCWZGBMSSDR-UHFFFAOYSA-N -1 1 425.470 1.598 50 0 IDAAMM CCS(=O)(=O)NCCNC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2C)cc1 ZINC000032824286 556409601 /nfs/dbraw/zinc/40/96/01/556409601.db2.gz DMNJPPKUQQHATA-UHFFFAOYSA-N -1 1 425.532 1.465 50 0 IDAAMM CCOc1ccc([C@@H]([N-]S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)C(C)C)cc1OCC ZINC000014679442 556431949 /nfs/dbraw/zinc/43/19/49/556431949.db2.gz AFONPVHQQJZPFG-SFHVURJKSA-N -1 1 439.534 1.557 50 0 IDAAMM CC(=O)Nc1cccc([N-]S(=O)(=O)c2ccc(N3C(=O)[C@H](C)CS3(=O)=O)cc2)c1 ZINC000011858251 556663642 /nfs/dbraw/zinc/66/36/42/556663642.db2.gz LOYLQDITCXWHBF-GFCCVEGCSA-N -1 1 437.499 1.758 50 0 IDAAMM CC(=O)N[C@H](CC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1[O-])c1ccccc1 ZINC000010629649 556682991 /nfs/dbraw/zinc/68/29/91/556682991.db2.gz UUEQFWXXLQTAOC-GOSISDBHSA-N -1 1 447.513 1.619 50 0 IDAAMM COc1c2c(cc3c1[C@@H](c1c(=O)[nH]c(=O)n(-c4ccc(F)cc4)c1[O-])N(C)CC3)OCO2 ZINC000019706881 556865710 /nfs/dbraw/zinc/86/57/10/556865710.db2.gz XCONBRNXFAOYCN-KRWDZBQOSA-N -1 1 441.415 1.685 50 0 biogenic IDAAMM CS(=O)(=O)N1CCc2ccc([N-]S(=O)(=O)c3ccc(N4CCCC4=O)cc3)cc21 ZINC000019819460 556922757 /nfs/dbraw/zinc/92/27/57/556922757.db2.gz UPAJGXMBKUIWTB-UHFFFAOYSA-N -1 1 435.527 1.936 50 0 IDAAMM CS(=O)(=O)N1CCc2ccc([N-]S(=O)(=O)c3ccc(N4C(=O)CCC4=O)cc3)cc21 ZINC000019819462 556922827 /nfs/dbraw/zinc/92/28/27/556922827.db2.gz QNSJTXWUBFCPST-UHFFFAOYSA-N -1 1 449.510 1.463 50 0 IDAAMM CCOC(=O)[C@H]1CCCN(c2nc3c(c(=O)[n-]2)[C@H](C(=O)Nc2ccccc2)CC(=O)N3)C1 ZINC000019821439 556924386 /nfs/dbraw/zinc/92/43/86/556924386.db2.gz UDRIHXBXCAHQGU-DZGCQCFKSA-N -1 1 439.472 1.614 50 0 IDAAMM CCNC(=O)[C@H](C)NC(=O)c1cccc(NC(=O)Cc2sc(N(CC)CC)nc2[O-])c1 ZINC000011409547 557142626 /nfs/dbraw/zinc/14/26/26/557142626.db2.gz VDKLGKMNDMPXNF-XJKSGUPXSA-N -1 1 447.561 1.609 50 0 IDAAMM O=C1CCCC(=O)N1CCS(=O)(=O)[N-]c1cnn(C[C@H]2COc3ccccc3O2)c1 ZINC000206846860 557166366 /nfs/dbraw/zinc/16/63/66/557166366.db2.gz SEHPRSYPHHDRPT-HNNXBMFYSA-N -1 1 434.474 1.004 50 0 IDAAMM O=C(Cc1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1)OCC(=O)N1CCNC1=O ZINC000024917905 557178717 /nfs/dbraw/zinc/17/87/17/557178717.db2.gz ZLKDVQGINQWISJ-UHFFFAOYSA-N -1 1 435.433 1.264 50 0 IDAAMM CC(C)n1c(=O)[nH]c([O-])c([C@@H]2c3ccccc3Oc3[nH]c(=O)n(C(C)C)c(=O)c32)c1=O ZINC000018039719 557232844 /nfs/dbraw/zinc/23/28/44/557232844.db2.gz GMKGOVGULOZXML-ZDUSSCGKSA-N -1 1 426.429 1.952 50 0 IDAAMM Cc1ccc(-n2c(O)c3[n-][nH]c(C(=O)CCN4C(=O)c5ccccc5C4=O)c-3c2=O)cc1 ZINC000103525938 557438787 /nfs/dbraw/zinc/43/87/87/557438787.db2.gz JIPMAJYWEQFPSK-IEBWSBKVSA-N -1 1 430.420 1.068 50 0 IDAAMM Nc1nc(SCC(=O)NC[C@@H]2CCCO2)[n-]c(=O)c1NC(=O)c1ccc(Cl)cc1 ZINC000012033352 557524434 /nfs/dbraw/zinc/52/44/34/557524434.db2.gz JRXYXGXFMXTOMU-LBPRGKRZSA-N -1 1 437.909 1.645 50 0 IDAAMM COc1cccc(C(=O)N2CCN(CCNC(=O)c3nc4ccccc4c(=O)[n-]3)CC2)c1 ZINC000044916903 557540719 /nfs/dbraw/zinc/54/07/19/557540719.db2.gz NYNZFDCTCVSCNT-UHFFFAOYSA-N -1 1 435.484 1.532 50 0 IDAAMM CCC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(S(=O)(=O)N(C)C)c2N)cc1 ZINC000225698158 557766001 /nfs/dbraw/zinc/76/60/01/557766001.db2.gz MLPGGVRNGZSCLD-UHFFFAOYSA-N -1 1 426.520 1.668 50 0 IDAAMM COCCN1C(=O)[N-]C(=O)[C@]2(Cc3ccccc3N3CCN(c4ccccc4)C[C@H]32)C1=O ZINC000229901892 557833950 /nfs/dbraw/zinc/83/39/50/557833950.db2.gz XXVALQCLLLNFGZ-GBXCKJPGSA-N -1 1 434.496 1.649 50 0 IDAAMM CC(C)NC(=O)COC(=O)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCCO3)cc1 ZINC000006171233 562946445 /nfs/dbraw/zinc/94/64/45/562946445.db2.gz VRBAIQIFFXAPBX-UHFFFAOYSA-N -1 1 434.470 1.940 50 0 IDAAMM O=C(COC(=O)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCCO3)cc1)NC1CC1 ZINC000008665026 562960475 /nfs/dbraw/zinc/96/04/75/562960475.db2.gz SWMPVBUFKXOMHF-UHFFFAOYSA-N -1 1 432.454 1.694 50 0 IDAAMM C[C@H]1CSc2ccc(S(=O)(=O)[N-]c3ccc(S(N)(=O)=O)cc3)cc2NC1=O ZINC000015731095 568814442 /nfs/dbraw/zinc/81/44/42/568814442.db2.gz YSFKOUKFZLWDEI-JTQLQIEISA-N -1 1 427.529 1.815 50 0 IDAAMM COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(CC(=O)N3CCC(O)CC3)cc2)cc1 ZINC000077200946 568897733 /nfs/dbraw/zinc/89/77/33/568897733.db2.gz ZSMLQTGHDJVDOW-UHFFFAOYSA-N -1 1 432.498 1.800 50 0 IDAAMM CCc1nn(CC)c(=O)c2cc(S(=O)(=O)[N-]c3ccc(N4CCOCC4)cc3)cn21 ZINC000065247310 569121915 /nfs/dbraw/zinc/12/19/15/569121915.db2.gz WMWBFALIUFXIGC-UHFFFAOYSA-N -1 1 431.518 1.716 50 0 IDAAMM Cc1cccc2c1NC(=O)[C@]21N[C@H](CCC(=O)[O-])[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]21 ZINC000002130497 569184902 /nfs/dbraw/zinc/18/49/02/569184902.db2.gz FKWBHSUGFQMCEU-BKJGLDIHSA-N -1 1 433.464 1.780 50 0 biogenic IDAAMM Cc1cccc2c1NC(=O)[C@@]21N[C@H](CCC(=O)[O-])[C@H]2C(=O)N(C3CCCCC3)C(=O)[C@H]21 ZINC000002132002 569185035 /nfs/dbraw/zinc/18/50/35/569185035.db2.gz CNUXTOQYWCNBPK-SAQZZPNQSA-N -1 1 425.485 1.913 50 0 biogenic IDAAMM CC(C)CN1C(=O)[N-]C(=O)[C@]2(Cc3c(=O)n4ccccc4nc3N3CCCCC[C@H]32)C1=O ZINC000230005218 569417220 /nfs/dbraw/zinc/41/72/20/569417220.db2.gz SFSFCPFIULJWDS-QMHKHESXSA-N -1 1 437.500 1.925 50 0 IDAAMM COc1cccc([N-]S(=O)(=O)c2cccc(S(=O)(=O)[C@H]3CCS(=O)(=O)C3)c2)c1 ZINC000031772972 569457278 /nfs/dbraw/zinc/45/72/78/569457278.db2.gz KFBPHCKCJLBHRK-KRWDZBQOSA-N -1 1 445.540 1.457 50 0 IDAAMM O=C(COc1ccccc1)NCC(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccc1[O-] ZINC000008749137 569473261 /nfs/dbraw/zinc/47/32/61/569473261.db2.gz UIKDKXFZJKZLEE-UHFFFAOYSA-N -1 1 433.486 1.310 50 0 IDAAMM CCOc1ccc(-n2c(=O)[nH]c(=O)c([C@@H]3OC(=O)c4c3ccc(OC)c4OC)c2[O-])cc1 ZINC000008761981 569474318 /nfs/dbraw/zinc/47/43/18/569474318.db2.gz PITRTVIPSFZHBI-QGZVFWFLSA-N -1 1 440.408 1.907 50 0 biogenic IDAAMM O=C([O-])CC[C@@H]1N[C@@]2(C(=O)Nc3c2cccc3Cl)[C@H]2C(=O)N(C[C@H]3CCCO3)C(=O)[C@@H]12 ZINC000009130329 569505994 /nfs/dbraw/zinc/50/59/94/569505994.db2.gz DERHFNHEHXFYBG-XNLPXUEMSA-N -1 1 447.875 1.104 50 0 IDAAMM COc1ccc(N2C[C@@H](C(=O)Nc3cc(C)nn3-c3nc4c(c(=O)[n-]3)CCC4)CC2=O)cc1 ZINC000009660407 569556835 /nfs/dbraw/zinc/55/68/35/569556835.db2.gz UCQWASCFMQEZPO-AWEZNQCLSA-N -1 1 448.483 1.753 50 0 IDAAMM Cc1cc(NC(=O)[C@H]2CC(=O)N(c3ccc(F)cc3)C2)n(-c2nc3c(c(=O)[n-]2)CCC3)n1 ZINC000009822645 569569551 /nfs/dbraw/zinc/56/95/51/569569551.db2.gz ZMXCDCSVJBRIJN-ZDUSSCGKSA-N -1 1 436.447 1.883 50 0 IDAAMM CCNc1ccc(S(=O)(=O)N(C)C)cc1[N-]S(=O)(=O)c1ccc2c(c1)CC(=O)N2 ZINC000022134282 520317972 /nfs/dbraw/zinc/31/79/72/520317972.db2.gz NDQBSGMNFOGAKI-UHFFFAOYSA-N -1 1 438.531 1.664 50 0 IDAAMM CCN(CC)S(=O)(=O)c1ccc([O-])c(NC(=O)Cn2[nH]c(=O)c3ccccc3c2=O)c1 ZINC000012848496 520805286 /nfs/dbraw/zinc/80/52/86/520805286.db2.gz BDGNOUMTDAZBIW-UHFFFAOYSA-N -1 1 446.485 1.065 50 0 IDAAMM CCOC(=O)[C@H]1CCCN(c2nc3c(c(=O)[n-]2)[C@@H](C(=O)Nc2ccccc2)CC(=O)N3)C1 ZINC000035580968 521305352 /nfs/dbraw/zinc/30/53/52/521305352.db2.gz UDRIHXBXCAHQGU-ZFWWWQNUSA-N -1 1 439.472 1.614 50 0 IDAAMM CCCc1cc(=O)[n-]c(SCC(=O)c2c(N)n(Cc3ccccc3)c(=O)n(C)c2=O)n1 ZINC000016681257 521343342 /nfs/dbraw/zinc/34/33/42/521343342.db2.gz SYIRCGOFKSVJFT-UHFFFAOYSA-N -1 1 441.513 1.188 50 0 IDAAMM CCCn1c2ccc([N-]S(=O)(=O)c3ccc4c(c3)c(=O)n(C)c(=O)n4C)cc2oc1=O ZINC000021932411 521637161 /nfs/dbraw/zinc/63/71/61/521637161.db2.gz NSZRZSOQPJFGAW-UHFFFAOYSA-N -1 1 444.469 1.356 50 0 IDAAMM COc1ccc(-c2n[n-]c(=S)n2CCC(=O)N2CCC3(CC2)NC(=O)NC3=O)cc1 ZINC000012890211 523176321 /nfs/dbraw/zinc/17/63/21/523176321.db2.gz VBNNFFDEAPDYKV-UHFFFAOYSA-N -1 1 430.490 1.207 50 0 IDAAMM COCCNC(=O)[C@@H]1CCCN1C(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000021712736 523912227 /nfs/dbraw/zinc/91/22/27/523912227.db2.gz JVXPFHWOOHLWLH-IBGZPJMESA-N -1 1 449.504 1.994 50 0 IDAAMM COc1ccc(NC(=O)[C@@H]2CC(=O)Nc3nc(N4CCCCC4)[n-]c(=O)c32)c(OC)c1 ZINC000012408508 524591410 /nfs/dbraw/zinc/59/14/10/524591410.db2.gz BUWZEEBBALDTOF-CYBMUJFWSA-N -1 1 427.461 1.842 50 0 IDAAMM COc1ccc2[nH]cc([C@H](C(=O)[O-])N3CCN(CC(=O)NC[C@H]4CCCO4)CC3)c2c1 ZINC000020733781 525493861 /nfs/dbraw/zinc/49/38/61/525493861.db2.gz FKEBPWFUVXXEFG-IIBYNOLFSA-N -1 1 430.505 1.215 50 0 IDAAMM C[C@@H]1Oc2ccc(S(=O)(=O)[N-]c3cccc(C(=O)N4CCOCC4)c3)cc2NC1=O ZINC000012384890 525612475 /nfs/dbraw/zinc/61/24/75/525612475.db2.gz RANACVLFOHWPDB-ZDUSSCGKSA-N -1 1 431.470 1.679 50 0 IDAAMM O=C1CN(S(=O)(=O)c2cccc([N-]S(=O)(=O)c3cccc(Cl)c3)c2)CCN1 ZINC000032631719 556411800 /nfs/dbraw/zinc/41/18/00/556411800.db2.gz OLWNTAQNWMPTRU-UHFFFAOYSA-N -1 1 429.907 1.261 50 0 IDAAMM CC(=O)Nc1ccc(SCC(=O)[N-]C(=O)c2ccc(S(=O)(=O)N(C)C)cc2)cc1 ZINC000013130303 556479789 /nfs/dbraw/zinc/47/97/89/556479789.db2.gz JYFUNNPOACMDII-UHFFFAOYSA-N -1 1 435.527 1.944 50 0 IDAAMM Cc1ccc(C)c(-n2nnnc2SCC(=O)OCC(=O)[N-]C(=O)c2ccccc2)c1 ZINC000013149470 556491029 /nfs/dbraw/zinc/49/10/29/556491029.db2.gz OMVYMEDFTNVPGF-UHFFFAOYSA-N -1 1 425.470 1.871 50 0 IDAAMM Nc1cc(=O)[n-]c(SCC(=O)Nc2cccc(S(=O)(=O)N3CCCCCC3)c2)n1 ZINC000015379326 556523616 /nfs/dbraw/zinc/52/36/16/556523616.db2.gz ZWXBOVGLMRSCAJ-UHFFFAOYSA-N -1 1 437.547 1.648 50 0 IDAAMM Nc1cc(=O)[n-]c(S[C@H](C(=O)NCc2ccc(S(N)(=O)=O)cc2)c2ccccc2)n1 ZINC000020198340 556997524 /nfs/dbraw/zinc/99/75/24/556997524.db2.gz SWVBJTWEPZNNOP-KRWDZBQOSA-N -1 1 445.526 1.149 50 0 IDAAMM NC(=O)CNC(=O)C1CCN(c2nc(=O)c3scc(-c4ccccc4F)c3[n-]2)CC1 ZINC000049421090 557107426 /nfs/dbraw/zinc/10/74/26/557107426.db2.gz DMFKXZUJWXSTSF-UHFFFAOYSA-N -1 1 429.477 1.609 50 0 IDAAMM Cc1nc(N2CCOCC2)[n-]c(=O)c1CCC(=O)N[C@@H](C)c1ccc(-n2cncn2)cc1 ZINC000011406679 557142186 /nfs/dbraw/zinc/14/21/86/557142186.db2.gz QVSVHVJVZUCGEO-HNNXBMFYSA-N -1 1 437.504 1.306 50 0 IDAAMM COc1ccc2c(c1OC)C(=O)N1c3ccccc3C(=O)N(CCC(=O)Nc3nnn[n-]3)[C@H]21 ZINC000604406046 557239698 /nfs/dbraw/zinc/23/96/98/557239698.db2.gz ZCXSRPDVLKFJCC-SFHVURJKSA-N -1 1 449.427 1.361 50 0 biogenic IDAAMM COc1ccc2c(c1OC)C(=O)N1c3ccccc3C(=O)N(CCC(=O)Nc3nn[n-]n3)[C@H]21 ZINC000604406046 557239699 /nfs/dbraw/zinc/23/96/99/557239699.db2.gz ZCXSRPDVLKFJCC-SFHVURJKSA-N -1 1 449.427 1.361 50 0 biogenic IDAAMM COCc1cc(=O)[n-]c(S[C@H]2CC(=O)N(c3ccc(N4CCOCC4)cc3)C2=O)n1 ZINC000100232918 557250495 /nfs/dbraw/zinc/25/04/95/557250495.db2.gz FINFZXHAQRJYFO-INIZCTEOSA-N -1 1 430.486 1.589 50 0 IDAAMM COc1ccc([C@@H]2CC(c3c([O-])[nH]c(=O)n(Cc4ccccc4)c3=O)=NN2C(C)=O)cc1 ZINC000101456286 557286652 /nfs/dbraw/zinc/28/66/52/557286652.db2.gz HWKVMKCWEOBUGQ-IBGZPJMESA-N -1 1 434.452 1.997 50 0 IDAAMM Cc1ccc(-n2c(O)c3[n-][nH]c(C(=O)CCN4C(=O)c5ccccc5C4=O)c-3c2=O)cc1 ZINC000103525927 557438679 /nfs/dbraw/zinc/43/86/79/557438679.db2.gz JIPMAJYWEQFPSK-HKUYNNGSSA-N -1 1 430.420 1.068 50 0 IDAAMM CCCN1C(=O)[N-]C(=O)[C@@]2(Cc3c(=O)n4cccc(C)c4nc3N3CCCCC[C@H]32)C1=O ZINC000229907368 557833876 /nfs/dbraw/zinc/83/38/76/557833876.db2.gz XMLATFSWMODIJN-HJPURHCSSA-N -1 1 437.500 1.783 50 0 IDAAMM CN(C)c1nc(C[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)nc(N2CCOCC2)n1 ZINC000575605531 568877987 /nfs/dbraw/zinc/87/79/87/568877987.db2.gz BRBYLTWIAHCAFH-UHFFFAOYSA-N -1 1 447.348 1.560 50 0 IDAAMM CCOC(=O)c1cccc([N-]S(=O)(=O)c2ccc3c(c2)oc(=O)n3CC(=O)OC)c1 ZINC000064818676 568965250 /nfs/dbraw/zinc/96/52/50/568965250.db2.gz VNMZMIONBMJEPO-UHFFFAOYSA-N -1 1 434.426 1.745 50 0 IDAAMM COc1ccccc1N1CCN(CCCNC(=O)Cc2c(C(=O)[O-])c(C)cn2C)CC1 ZINC000064980597 569078170 /nfs/dbraw/zinc/07/81/70/569078170.db2.gz SEMQZIWUDZCHEL-UHFFFAOYSA-N -1 1 428.533 1.911 50 0 IDAAMM CC(C)C(=O)Nc1ccc2c(c1)[nH]cc2[C@@H](C(=O)[O-])N1CCN(CC(=O)N(C)C)CC1 ZINC000036356836 569084300 /nfs/dbraw/zinc/08/43/00/569084300.db2.gz CRFYOIGLJDQRNL-FQEVSTJZSA-N -1 1 429.521 1.594 50 0 IDAAMM O=C(NC[C@@]1(O)CCOC1)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCCCO3)cc1 ZINC000089781063 569163038 /nfs/dbraw/zinc/16/30/38/569163038.db2.gz VFDXWJAKKNKDOK-NRFANRHFSA-N -1 1 448.497 1.530 50 0 IDAAMM Cc1cccc2c1NC(=O)[C@@]21N[C@H](CCC(=O)[O-])[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]21 ZINC000002130496 569184910 /nfs/dbraw/zinc/18/49/10/569184910.db2.gz FKWBHSUGFQMCEU-SYSFZUQMSA-N -1 1 433.464 1.780 50 0 biogenic IDAAMM COc1cc2nc(=S)n3c([O-])c(CCC(=O)NCc4ccccn4)[nH]c3c2cc1OC ZINC000020234038 569357198 /nfs/dbraw/zinc/35/71/98/569357198.db2.gz WUUPQTSAGIKYKV-CQSZACIVSA-N -1 1 439.497 1.863 50 0 IDAAMM CC(C)(C)OC(=O)NC(C)(C)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1[O-] ZINC000095444505 569367062 /nfs/dbraw/zinc/36/70/62/569367062.db2.gz FXTMTAYSZVFKAG-UHFFFAOYSA-N -1 1 443.522 1.655 50 0 IDAAMM Cc1[nH]c(=O)sc1S(=O)(=O)[N-]CCNC(=O)c1cc(-c2ccccc2Cl)n[nH]1 ZINC000095981281 569377898 /nfs/dbraw/zinc/37/78/98/569377898.db2.gz XXJSJHZQRVKDNE-UHFFFAOYSA-N -1 1 441.922 1.497 50 0 IDAAMM CN1CCOc2ccc([N-]S(=O)(=O)c3cc4c5c(c3)CCC(=O)N5CC4)cc2C1=O ZINC000096096736 569381312 /nfs/dbraw/zinc/38/13/12/569381312.db2.gz WPAKEFMZCOPVGL-UHFFFAOYSA-N -1 1 427.482 1.787 50 0 IDAAMM O=S(=O)([N-]c1ccc(F)cc1)c1cccc(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)c1 ZINC000031772937 569457275 /nfs/dbraw/zinc/45/72/75/569457275.db2.gz IFQZDOUSUCXBIZ-MRXNPFEDSA-N -1 1 433.504 1.587 50 0 IDAAMM CCOC(=O)N1CC[NH+]([C@H](C(=O)[O-])c2c[nH]c3ccc(NC(=O)CCC(=O)[O-])cc32)CC1 ZINC000031820653 569458087 /nfs/dbraw/zinc/45/80/87/569458087.db2.gz ARSRBSYDCRIIRG-IBGZPJMESA-N -1 1 446.460 1.871 50 0 IDAAMM Cc1cc([O-])c2c(C)c(CC(=O)NCCc3ccc(S(N)(=O)=O)cc3)c(=O)oc2c1 ZINC000009215854 569512023 /nfs/dbraw/zinc/51/20/23/569512023.db2.gz YFKSNNCROMAJFX-UHFFFAOYSA-N -1 1 430.482 1.664 50 0 IDAAMM CC(=O)c1cccc([N-]S(=O)(=O)c2ccc3c(c2)OC[C@H](C(=O)N2CCOCC2)O3)c1 ZINC000009683884 569560444 /nfs/dbraw/zinc/56/04/44/569560444.db2.gz SNVXWUCGBYBZJG-HXUWFJFHSA-N -1 1 446.481 1.689 50 0 IDAAMM Cc1ccc(S(C)(=O)=O)cc1NC(=O)CCc1c(C)nc(N2CCOCC2)[n-]c1=O ZINC000010366093 132335701 /nfs/dbraw/zinc/33/57/01/132335701.db2.gz KVTYOJCSVNAXCW-UHFFFAOYSA-N -1 1 434.518 1.198 50 0 IDAAMM CCOC(=O)N1CCN(C(=O)c2ccc(S(=O)(=O)[N-]Cc3cccs3)o2)CC1 ZINC000035597525 520950365 /nfs/dbraw/zinc/95/03/65/520950365.db2.gz FHHPTCAKYGCPIG-UHFFFAOYSA-N -1 1 427.504 1.734 50 0 IDAAMM COc1ccc([N-]S(=O)(=O)c2ccc(C(=O)O[C@@H](C)C(=O)N3CCOCC3)cc2)cc1 ZINC000012520887 524688449 /nfs/dbraw/zinc/68/84/49/524688449.db2.gz DNEAAOFNUMGCLG-HNNXBMFYSA-N -1 1 448.497 1.900 50 0 IDAAMM Cc1ccc(NC(=O)CSc2nc(N)cc(=O)[n-]2)cc1S(=O)(=O)N1CCCCC1 ZINC000012566474 525078056 /nfs/dbraw/zinc/07/80/56/525078056.db2.gz HLHMFYGAGQXFHT-UHFFFAOYSA-N -1 1 437.547 1.566 50 0 IDAAMM O=C(c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)N1CCC2(CC1)NC(=O)NC2=O ZINC000012561131 526711556 /nfs/dbraw/zinc/71/15/56/526711556.db2.gz FMNZFFXIIOQFNY-UHFFFAOYSA-N -1 1 428.470 1.302 50 0 IDAAMM Cn1c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2c(=O)n(CC(=O)N2CCCC2)c1=O ZINC000021711441 527105382 /nfs/dbraw/zinc/10/53/82/527105382.db2.gz GXFIUNYWARRJBB-UHFFFAOYSA-N -1 1 442.497 1.123 50 0 IDAAMM Cc1ccc(S(=O)(=O)NC(=N)NCCC[C@@H](CC(=O)[O-])NC(=O)OC(C)(C)C)cc1 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IDAAMM O=C(c1cccc([N-]S(=O)(=O)c2cccc(F)c2)c1)N1CC[C@@H](N2C(=O)COC2=O)C1 ZINC000225700875 569407365 /nfs/dbraw/zinc/40/73/65/569407365.db2.gz VAYJNARYCCTPSA-MRXNPFEDSA-N -1 1 447.444 1.820 50 0 IDAAMM O=S(=O)([N-]c1ccc(F)cc1)c1cccc(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)c1 ZINC000031772938 569457286 /nfs/dbraw/zinc/45/72/86/569457286.db2.gz IFQZDOUSUCXBIZ-INIZCTEOSA-N -1 1 433.504 1.587 50 0 IDAAMM Cc1cc(C)c2c3ccccc3n(CC[N-]S(=O)(=O)c3c(C)[nH]c(=O)[nH]c3=O)c2n1 ZINC000008777817 569475461 /nfs/dbraw/zinc/47/54/61/569475461.db2.gz CANPJIDYSUAHIH-KRWDZBQOSA-N -1 1 427.486 1.805 50 0 IDAAMM O=C([O-])CC[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@@H]2C(=O)N(c3ccc4c(c3)OCO4)C(=O)[C@@H]21 ZINC000008789820 569475971 /nfs/dbraw/zinc/47/59/71/569475971.db2.gz AYGNWZIEIGHVFJ-ASLVLFSISA-N -1 1 449.419 1.205 50 0 biogenic IDAAMM Nc1cc(N)nc(SCC(=O)Nc2ccc(S(=O)(=O)[N-]c3nccs3)cc2)n1 ZINC000008814328 569476666 /nfs/dbraw/zinc/47/66/66/569476666.db2.gz QJZDUNXPBYPEMK-UHFFFAOYSA-N -1 1 437.532 1.629 50 0 IDAAMM CN(C)S(=O)(=O)c1ccc(C(=O)[N-]C(=O)CSc2nnc(NC3CC3)s2)cc1 ZINC000008937614 569488183 /nfs/dbraw/zinc/48/81/83/569488183.db2.gz JISYZGVXGYCJKV-UHFFFAOYSA-N -1 1 441.560 1.411 50 0 IDAAMM C[C@@H]1CN(c2ccc([N-]S(=O)(=O)c3cccc(S(N)(=O)=O)c3)cc2F)C[C@@H](C)O1 ZINC000040152621 569493502 /nfs/dbraw/zinc/49/35/02/569493502.db2.gz QZOFNGQBTSZMJX-CHWSQXEVSA-N -1 1 443.522 1.888 50 0 IDAAMM Cc1cc(NC(=O)C(=O)NCc2ccc3c(c2)OCO3)n(-c2nc(C(C)C)cc(=O)[n-]2)n1 ZINC000009038489 569497423 /nfs/dbraw/zinc/49/74/23/569497423.db2.gz OFCYOYAUHZNWEX-UHFFFAOYSA-N -1 1 438.444 1.783 50 0 IDAAMM COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)n(C)c(=O)n3C)cc1C(=O)N1CCCC1 ZINC000009191847 569510700 /nfs/dbraw/zinc/51/07/00/569510700.db2.gz IAYOJNLDOZDJMP-UHFFFAOYSA-N -1 1 444.513 1.922 50 0 IDAAMM COc1cccc(N2C[C@H](C(=O)Nc3cc(C)nn3-c3nc4c(c(=O)[n-]3)CCC4)CC2=O)c1 ZINC000009822623 569569596 /nfs/dbraw/zinc/56/95/96/569569596.db2.gz FQLKIAKKHWKZML-CQSZACIVSA-N -1 1 448.483 1.753 50 0 IDAAMM CCCCCN1C(=O)[N-]C(=O)[C@]2(Cc3c(=O)n4ccccc4nc3N(CC)[C@@H]2C)C1=O ZINC000008739120 132292475 /nfs/dbraw/zinc/29/24/75/132292475.db2.gz GSJPVWMHGHBZSS-JLCFBVMHSA-N -1 1 425.489 1.720 50 0 IDAAMM CC(=O)Nc1ccc2c(c1)CC1(C(=O)[N-]C(=O)NC1=O)[C@H]1CN(c3ccccc3)CCN21 ZINC000009433911 132317344 /nfs/dbraw/zinc/31/73/44/132317344.db2.gz DVWJOYXFWMOIMC-LJQANCHMSA-N -1 1 433.468 1.249 50 0 IDAAMM Cc1nc(N2CCOCC2)[n-]c(=O)c1CCC(=O)Nc1ccc2c(c1)NC(=O)[C@@H](C)O2 ZINC000013001506 132341582 /nfs/dbraw/zinc/34/15/82/132341582.db2.gz HAPHOPDTCVADPU-CYBMUJFWSA-N -1 1 427.461 1.206 50 0 IDAAMM CCOC(=O)C1=C(CSc2nc(N)cc(=O)[n-]2)NC(=O)N[C@H]1c1ccc2c(c1)OCO2 ZINC000012412592 520526442 /nfs/dbraw/zinc/52/64/42/520526442.db2.gz SERWYQFBOORPLN-INIZCTEOSA-N -1 1 445.457 1.044 50 0 IDAAMM COCCCNC(=O)c1c[n-]c2ccc(S(=O)(=O)N3C[C@@H](C)C[C@H](C)C3)cc2c1=O ZINC000020753962 523363654 /nfs/dbraw/zinc/36/36/54/523363654.db2.gz SLEKRNPRZNRSQL-GJZGRUSLSA-N -1 1 435.546 1.961 50 0 IDAAMM COCCN(CCOC)C(=O)c1ccc([N-]S(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)cc1 ZINC000012738957 523713490 /nfs/dbraw/zinc/71/34/90/523713490.db2.gz ZJFAMIIWLCHSOF-UHFFFAOYSA-N -1 1 448.501 1.392 50 0 IDAAMM COc1ccc(NS(=O)(=O)c2cc(/C=C/C(=O)[O-])ccc2OC)cc1S(N)(=O)=O ZINC000012557219 524685171 /nfs/dbraw/zinc/68/51/71/524685171.db2.gz MHFIROICVCMHRL-XBXARRHUSA-N -1 1 442.471 1.250 50 0 IDAAMM COc1ccc(OC)c(NC(=O)[C@@H]2CC(=O)Nc3nc(N4CCCCC4)[n-]c(=O)c32)c1 ZINC000012322893 524862897 /nfs/dbraw/zinc/86/28/97/524862897.db2.gz KYDJFKLAGUTNJT-CYBMUJFWSA-N -1 1 427.461 1.842 50 0 IDAAMM COc1cccc(CNC(=O)Cc2cc(=O)[n-]c(SCC(=O)N3CCOCC3)n2)c1 ZINC000022629453 525976719 /nfs/dbraw/zinc/97/67/19/525976719.db2.gz SBUCSGGJJGDMAZ-UHFFFAOYSA-N -1 1 432.502 1.001 50 0 IDAAMM O=C(Nc1ccc2c(c1)OCCO2)[C@@H]1CC(=O)Nc2nc(N3CCCCC3)[n-]c(=O)c21 ZINC000012391487 527285757 /nfs/dbraw/zinc/28/57/57/527285757.db2.gz DPRCUELSPVYLGH-CYBMUJFWSA-N -1 1 425.445 1.596 50 0 IDAAMM NS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2cccc(C(=O)NCC(F)(F)F)c2)c1 ZINC000022411195 527322749 /nfs/dbraw/zinc/32/27/49/527322749.db2.gz NOORHGSQNCFPQA-UHFFFAOYSA-N -1 1 437.421 1.427 50 0 IDAAMM CCOC(=O)[C@]([N-]c1ccc(S(N)(=O)=O)cc1)(NC(=O)c1ccccc1)C(F)(F)F ZINC000002187943 555755837 /nfs/dbraw/zinc/75/58/37/555755837.db2.gz BGDLNVQUWRDGCM-KRWDZBQOSA-N -1 1 445.419 1.998 50 0 IDAAMM Cc1cc2c(nc(C)n([N-]C(=O)c3c(I)cnn3C)c2=O)s1 ZINC000002776768 556140442 /nfs/dbraw/zinc/14/04/42/556140442.db2.gz XHDJRJFFFXAKRS-UHFFFAOYSA-N -1 1 429.243 1.797 50 0 IDAAMM O=C([O-])C[C@@H]1NC(=O)[C@H]2[C@H](NC(=O)OCC3c4ccccc4-c4ccccc43)CN[C@@H]2C1=O ZINC000014632682 556430261 /nfs/dbraw/zinc/43/02/61/556430261.db2.gz DHGWNQMKKXRPHL-YHELAOLJSA-N -1 1 449.463 1.024 50 0 IDAAMM O=C(COC(=O)c1ccccc1S(=O)(=O)N1CCCCC1)[N-]C(=O)c1ccccc1 ZINC000011046303 556471384 /nfs/dbraw/zinc/47/13/84/556471384.db2.gz LUNHOKWSKXBEJC-UHFFFAOYSA-N -1 1 430.482 1.975 50 0 IDAAMM CC(=O)Nc1ccc([N-]S(=O)(=O)c2cc(N3C(=O)CCS3(=O)=O)ccc2C)cc1 ZINC000011858303 556663834 /nfs/dbraw/zinc/66/38/34/556663834.db2.gz JWTKRFUBEXBZLQ-UHFFFAOYSA-N -1 1 437.499 1.821 50 0 IDAAMM Cc1cc(=O)[n-]c(S[C@@H](C(=O)NCc2ccc(S(N)(=O)=O)cc2)c2ccccc2)n1 ZINC000020198346 556997595 /nfs/dbraw/zinc/99/75/95/556997595.db2.gz YODINSVODXENGI-GOSISDBHSA-N -1 1 444.538 1.876 50 0 IDAAMM O=C(C[N-]S(=O)(=O)c1ccc(F)c(F)c1F)OCCCn1c(=O)[nH]c2ccccc21 ZINC000010900321 557077294 /nfs/dbraw/zinc/07/72/94/557077294.db2.gz CDUFILATZNEGMP-UHFFFAOYSA-N -1 1 443.403 1.659 50 0 IDAAMM CC(C)Cn1c(=O)[nH]c(=O)c2c(C(=O)NCCc3n[n-]c(=S)n3C)cc(C(C)C)nc21 ZINC000072272121 557265374 /nfs/dbraw/zinc/26/53/74/557265374.db2.gz AGTQZIVYRWIERE-UHFFFAOYSA-N -1 1 445.549 1.628 50 0 IDAAMM CCCCn1c(=O)[nH]c([O-])c(C2=NN(C(C)=O)[C@@H](c3ccc(OC)cc3OC)C2)c1=O ZINC000101456426 557287170 /nfs/dbraw/zinc/28/71/70/557287170.db2.gz KYVHTTJXAPHQHB-MRXNPFEDSA-N -1 1 430.461 1.757 50 0 IDAAMM COc1cc([C@@H]2CC(c3c([O-])[nH]c(=O)n(C4CCCCC4)c3=O)=NN2)cc(OC)c1O ZINC000101762121 557297101 /nfs/dbraw/zinc/29/71/01/557297101.db2.gz BTUMZDRGULJDLD-ZDUSSCGKSA-N -1 1 430.461 1.909 50 0 IDAAMM O=C(CN1CCC(n2cc([N-]S(=O)(=O)C(F)F)cn2)CC1)NCc1ccccc1 ZINC000225388680 557717630 /nfs/dbraw/zinc/71/76/30/557717630.db2.gz FESMJZRSNJELEJ-UHFFFAOYSA-N -1 1 427.477 1.801 50 0 IDAAMM COC(=O)COc1c(Br)cc(/C=C2/NC(=O)[N-]C2=O)cc1Br ZINC000001093478 568658614 /nfs/dbraw/zinc/65/86/14/568658614.db2.gz YEGSUKPRYDRGMM-RUDMXATFSA-N -1 1 434.040 1.944 50 0 IDAAMM C[C@@H]1C[C@@H](C)CN(C(=O)c2c[n-]c3ccc(S(=O)(=O)N4CCOCC4)cc3c2=O)C1 ZINC000006296584 568882233 /nfs/dbraw/zinc/88/22/33/568882233.db2.gz AQNRNGKFUIFONJ-HUUCEWRRSA-N -1 1 433.530 1.667 50 0 IDAAMM COc1ccc(S(=O)(=O)NCCNC(=O)c2cc(Br)ccc2[O-])cc1 ZINC000026675017 568906195 /nfs/dbraw/zinc/90/61/95/568906195.db2.gz MZKKZOXDBPQPDQ-UHFFFAOYSA-N -1 1 429.292 1.872 50 0 IDAAMM CCOC(=O)[C@H]1CCCN(C(=O)CCc2c(C)nn(-c3nc(C)c(C)c(=O)[n-]3)c2C)C1 ZINC000016980696 569169288 /nfs/dbraw/zinc/16/92/88/569169288.db2.gz SDCINUBWVNUPEX-KRWDZBQOSA-N -1 1 429.521 1.924 50 0 IDAAMM Cc1ccc2c(c1C)NC(=O)[C@@]21N[C@@H](CCC(=O)[O-])[C@H]2C(=O)N(C3CCCC3)C(=O)[C@H]21 ZINC000002128888 569184272 /nfs/dbraw/zinc/18/42/72/569184272.db2.gz PCTAVKIIFJGKCY-XQNUDUSMSA-N -1 1 425.485 1.831 50 0 biogenic IDAAMM COc1cc([C@H](CC(=O)NCCc2cnc[nH]2)c2c([O-])cc(C)oc2=O)cc2c1OCO2 ZINC000253471652 569282720 /nfs/dbraw/zinc/28/27/20/569282720.db2.gz WUEQHRAQDDCNFN-HNNXBMFYSA-N -1 1 441.440 1.995 50 0 IDAAMM CCS(=O)(=O)[N-]c1ccccc1C(=O)Nc1cnn(CC(=O)N2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000078875208 569319772 /nfs/dbraw/zinc/31/97/72/569319772.db2.gz OXMMLFOMMJUFCM-GASCZTMLSA-N -1 1 449.533 1.533 50 0 IDAAMM CCOC(=O)Cn1c2ccc(S(=O)(=O)[N-]c3ccc(OC)c(OC)c3)cc2oc1=O ZINC000020287004 569359148 /nfs/dbraw/zinc/35/91/48/569359148.db2.gz FWGYWFBLEBHCRB-UHFFFAOYSA-N -1 1 436.442 1.976 50 0 IDAAMM COc1c2c(cc3c1[C@H](c1c(=O)[nH]c(=O)n(-c4ccccc4F)c1[O-])N(C)CC3)OCO2 ZINC000020412500 569364163 /nfs/dbraw/zinc/36/41/63/569364163.db2.gz MARHQSIMVLSWQT-QGZVFWFLSA-N -1 1 441.415 1.685 50 0 biogenic IDAAMM Cn1nccc1CCNC(=O)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCCO3)cc1 ZINC000095941048 569375441 /nfs/dbraw/zinc/37/54/41/569375441.db2.gz OLFWKJPAUGMTJA-UHFFFAOYSA-N -1 1 442.497 1.965 50 0 IDAAMM O=C(CN1CCCC1=O)Nc1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCCO3)cc1 ZINC000008710348 569470856 /nfs/dbraw/zinc/47/08/56/569470856.db2.gz WFXBYZWSRPNHLM-UHFFFAOYSA-N -1 1 431.470 1.820 50 0 IDAAMM O=C([O-])CNC(=O)C[C@@H](CNC(=O)[C@@H]1Cc2ccccc2CN1)c1ccc(Cl)cc1 ZINC000008764404 569474621 /nfs/dbraw/zinc/47/46/21/569474621.db2.gz XIYITRQCSCMGIO-HKUYNNGSSA-N -1 1 429.904 1.845 50 0 biogenic IDAAMM Cc1cccc2c1NC(=O)[C@]21N[C@H](CCC(=O)[O-])[C@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]21 ZINC000008790767 569476096 /nfs/dbraw/zinc/47/60/96/569476096.db2.gz HRLBJLBAUIJCAE-WKVINZIJSA-N -1 1 447.491 1.823 50 0 biogenic IDAAMM CCCc1cc(=O)[n-]c(-n2nc(C)cc2NC(=O)C(=O)NCc2ccc3c(c2)OCO3)n1 ZINC000009038114 569497417 /nfs/dbraw/zinc/49/74/17/569497417.db2.gz GPAYLCZWSWDSFN-UHFFFAOYSA-N -1 1 438.444 1.200 50 0 IDAAMM O=C(COc1cc(=O)c2c([O-])cc(-c3ccccc3)oc-2c1)N[C@@H]1C=CS(=O)(=O)C1 ZINC000009435429 569534847 /nfs/dbraw/zinc/53/48/47/569534847.db2.gz ZMHMVIISSIMGCM-CQSZACIVSA-N -1 1 427.434 1.971 50 0 biogenic IDAAMM O=C(COc1cc([O-])c2c(=O)cc(-c3ccccc3)oc2c1)N[C@@H]1C=CS(=O)(=O)C1 ZINC000009435429 569534848 /nfs/dbraw/zinc/53/48/48/569534848.db2.gz ZMHMVIISSIMGCM-CQSZACIVSA-N -1 1 427.434 1.971 50 0 biogenic IDAAMM O=C(C[N-]S(=O)(=O)c1ccc(F)c(F)c1F)OCCN1C(=O)c2ccccc2C1=O ZINC000009634223 569554380 /nfs/dbraw/zinc/55/43/80/569554380.db2.gz RGDUOEIHQPBCHU-UHFFFAOYSA-N -1 1 442.371 1.222 50 0 IDAAMM CCNc1ccc(S(=O)(=O)N(C)C)cc1[N-]S(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000010512428 569582607 /nfs/dbraw/zinc/58/26/07/569582607.db2.gz HIXNNMJSUVGKLD-UHFFFAOYSA-N -1 1 441.531 1.941 50 0 IDAAMM COCc1cc(=O)[n-]c(S[C@@H]2CC(=O)N(c3ccc(N4CCOCC4)cc3)C2=O)n1 ZINC000001030219 522936791 /nfs/dbraw/zinc/93/67/91/522936791.db2.gz FINFZXHAQRJYFO-MRXNPFEDSA-N -1 1 430.486 1.589 50 0 IDAAMM COc1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(N4CCCCC4)[n-]c(=O)c32)c(OC)c1 ZINC000012408509 524611208 /nfs/dbraw/zinc/61/12/08/524611208.db2.gz BUWZEEBBALDTOF-ZDUSSCGKSA-N -1 1 427.461 1.842 50 0 IDAAMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N3CCN(CC(=O)N(C)C)CC3)cc2)cc1 ZINC000012557234 525298203 /nfs/dbraw/zinc/29/82/03/525298203.db2.gz SPLSPNLCMSGGKR-UHFFFAOYSA-N -1 1 444.557 1.642 50 0 IDAAMM Cc1c2ccc([O-])cc2oc(=O)c1CC(=O)N1CCN(CC(=O)N2CCCCCC2)CC1 ZINC000035378228 525966518 /nfs/dbraw/zinc/96/65/18/525966518.db2.gz AVUKMVUEVRYQPL-UHFFFAOYSA-N -1 1 441.528 1.896 50 0 IDAAMM O=C(CSc1nc(-c2ccc3c(c2)OCO3)nc2cc(=O)[n-]n21)NC[C@@H]1CCCO1 ZINC000021911333 527052079 /nfs/dbraw/zinc/05/20/79/527052079.db2.gz UJLHQDNJVXYIFX-LBPRGKRZSA-N -1 1 429.458 1.201 50 0 IDAAMM COc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)NC[C@H]3CCCO3)cc2)cc1 ZINC000000815545 555561848 /nfs/dbraw/zinc/56/18/48/555561848.db2.gz AWRANEIZIBPLPR-MRXNPFEDSA-N -1 1 426.516 1.953 50 0 IDAAMM Cc1ccc(S(=O)(=O)NC(=N)NCCC[C@H](NC(=O)OC(C)(C)C)C(=O)[O-])cc1 ZINC000004534345 555999954 /nfs/dbraw/zinc/99/99/54/555999954.db2.gz WBIIPXYJAMICNU-AWEZNQCLSA-N -1 1 428.511 1.556 50 0 IDAAMM Cn1c2cc(S(=O)(=O)[N-]c3cccc(S(=O)(=O)N4CCCC4)c3)ccc2oc1=O ZINC000008783088 556215029 /nfs/dbraw/zinc/21/50/29/556215029.db2.gz NEYGWSUTCTWFQH-UHFFFAOYSA-N -1 1 437.499 1.717 50 0 IDAAMM CCNC(=O)CNC(=O)c1cc(=O)[nH]c2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc21 ZINC000014249024 556408032 /nfs/dbraw/zinc/40/80/32/556408032.db2.gz OZPAUIGELKRTKK-UHFFFAOYSA-N -1 1 446.460 1.746 50 0 IDAAMM CCN(CC)S(=O)(=O)c1ccc([O-])c(NC(=O)Cc2n[nH]c(=O)c3ccccc23)c1 ZINC000032721929 556547470 /nfs/dbraw/zinc/54/74/70/556547470.db2.gz NHTHRMYCRVBQRK-UHFFFAOYSA-N -1 1 430.486 1.840 50 0 IDAAMM O=C(NCCN1CCOCC1)C1(c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)CC1 ZINC000033115488 556555505 /nfs/dbraw/zinc/55/55/05/556555505.db2.gz XMHWQFHFVUBENN-UHFFFAOYSA-N -1 1 429.542 1.967 50 0 IDAAMM COc1ccc([N-]S(=O)(=O)c2cc(N3C(=O)CCS3(=O)=O)ccc2C)cc1OC ZINC000011858293 556663580 /nfs/dbraw/zinc/66/35/80/556663580.db2.gz XSSJCYIJVZIPPM-UHFFFAOYSA-N -1 1 440.499 1.880 50 0 IDAAMM CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)Cc1c(C)nc(-c2cccnc2)[n-]c1=O ZINC000032934437 556677529 /nfs/dbraw/zinc/67/75/29/556677529.db2.gz BPXPZSJXAPFRON-UHFFFAOYSA-N -1 1 430.468 1.968 50 0 IDAAMM CC(=O)c1cc2c(cc1NC(=O)CCc1c(C)nc(N3CCOCC3)[n-]c1=O)OCO2 ZINC000022982363 557055819 /nfs/dbraw/zinc/05/58/19/557055819.db2.gz FOUWFPVTTJFXDQ-UHFFFAOYSA-N -1 1 428.445 1.418 50 0 IDAAMM O=C(Cc1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1)N[C@H]1CCS(=O)(=O)C1 ZINC000017638150 557101743 /nfs/dbraw/zinc/10/17/43/557101743.db2.gz LYUDPBGPMUKEBD-INIZCTEOSA-N -1 1 426.491 1.472 50 0 IDAAMM COc1ccc2c(c1OC)C(=O)N1c3ccccc3C(=O)N(CCC(=O)Nc3nnn[n-]3)[C@@H]21 ZINC000604406045 557239678 /nfs/dbraw/zinc/23/96/78/557239678.db2.gz ZCXSRPDVLKFJCC-GOSISDBHSA-N -1 1 449.427 1.361 50 0 biogenic IDAAMM COc1ccc2c(c1OC)C(=O)N1c3ccccc3C(=O)N(CCC(=O)Nc3nn[n-]n3)[C@@H]21 ZINC000604406045 557239682 /nfs/dbraw/zinc/23/96/82/557239682.db2.gz ZCXSRPDVLKFJCC-GOSISDBHSA-N -1 1 449.427 1.361 50 0 biogenic IDAAMM CCCCn1c(=O)[nH]c([O-])c(C2=NN(C(C)=O)[C@H](c3ccc(OC)cc3OC)C2)c1=O ZINC000101456424 557287040 /nfs/dbraw/zinc/28/70/40/557287040.db2.gz KYVHTTJXAPHQHB-INIZCTEOSA-N -1 1 430.461 1.757 50 0 IDAAMM CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CCCc3cc[nH]c(=O)c32)c(OC)c1 ZINC000225392702 557718039 /nfs/dbraw/zinc/71/80/39/557718039.db2.gz SEHRNGRVTSIRIS-UHFFFAOYSA-N -1 1 427.504 1.287 50 0 IDAAMM COc1ccc(-c2cc(=NC(=O)c3snnc3C)n([C@H]3CCS(=O)(=O)C3)[n-]2)cc1 ZINC000334158026 568750887 /nfs/dbraw/zinc/75/08/87/568750887.db2.gz INBZAWLVFMUSFY-ZDUSSCGKSA-N -1 1 433.515 1.752 50 0 IDAAMM COc1ccc(-c2cc(=NC(=O)c3snnc3C)n([C@@H]3CCS(=O)(=O)C3)[n-]2)cc1 ZINC000334158025 568750895 /nfs/dbraw/zinc/75/08/95/568750895.db2.gz INBZAWLVFMUSFY-CYBMUJFWSA-N -1 1 433.515 1.752 50 0 IDAAMM Cn1cnnc1-c1ccccc1[N-]S(=O)(=O)c1ccc(N2CCCS2(=O)=O)cc1 ZINC000084334574 568797110 /nfs/dbraw/zinc/79/71/10/568797110.db2.gz MZBHWKWCOUPLMM-UHFFFAOYSA-N -1 1 433.515 1.823 50 0 IDAAMM C[C@H]1CC(=O)Nc2cc(S(=O)(=O)[N-]c3ccc(S(N)(=O)=O)cc3)ccc2S1 ZINC000015730885 568814300 /nfs/dbraw/zinc/81/43/00/568814300.db2.gz KTVBILAMIOLFTR-JTQLQIEISA-N -1 1 427.529 1.958 50 0 IDAAMM Cn1c2ccc([N-]S(=O)(=O)c3ccc(N4CCCC4=O)cc3)cc2n(C)c(=O)c1=O ZINC000015733661 568815927 /nfs/dbraw/zinc/81/59/27/568815927.db2.gz MPGYTGZXRALLFP-UHFFFAOYSA-N -1 1 428.470 1.165 50 0 IDAAMM COc1ccc(N2C(=O)[C@H](C)CS2(=O)=O)cc1S(=O)(=O)[N-]c1ccccc1F ZINC000013729815 569156919 /nfs/dbraw/zinc/15/69/19/569156919.db2.gz FYHRDLUGIQXMQZ-LLVKDONJSA-N -1 1 428.463 1.948 50 0 IDAAMM COCCN1C(=O)C(=CN=c2[nH]c3ccccc3nc2N2CCCC2)C(=O)[N-]C1=S ZINC000009282958 569176827 /nfs/dbraw/zinc/17/68/27/569176827.db2.gz VEWSZAHRNVNBSX-SEYXRHQNSA-N -1 1 426.502 1.416 50 0 IDAAMM Cc1ccc2c(c1)[C@]1(N[C@H](CCC(=O)[O-])[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]31)C(=O)N2 ZINC000002129174 569184329 /nfs/dbraw/zinc/18/43/29/569184329.db2.gz YJTFAPLZYSXKBF-ZHNFZGJGSA-N -1 1 433.464 1.780 50 0 biogenic IDAAMM Cc1cccc2c1NC(=O)[C@@]21N[C@@H](CCC(=O)[O-])[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]21 ZINC000002130498 569184893 /nfs/dbraw/zinc/18/48/93/569184893.db2.gz FKWBHSUGFQMCEU-NARGUJOISA-N -1 1 433.464 1.780 50 0 biogenic IDAAMM CCOc1ccc(-n2c(=O)[nH]c(=O)c([C@H]3OC(=O)c4c3ccc(OC)c4OC)c2[O-])cc1 ZINC000002145177 569186774 /nfs/dbraw/zinc/18/67/74/569186774.db2.gz PITRTVIPSFZHBI-KRWDZBQOSA-N -1 1 440.408 1.907 50 0 biogenic IDAAMM O=C([O-])CC[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@@H]2C(=O)N(Cc3ccc(F)cc3)C(=O)[C@@H]21 ZINC000002338685 569274944 /nfs/dbraw/zinc/27/49/44/569274944.db2.gz ITLLBGBJIXZGKY-FAODYONGSA-N -1 1 437.427 1.611 50 0 IDAAMM COc1cc([C@@H](CC(=O)NCCc2cnc[nH]2)c2c([O-])cc(C)oc2=O)cc2c1OCO2 ZINC000253471653 569282664 /nfs/dbraw/zinc/28/26/64/569282664.db2.gz WUEQHRAQDDCNFN-OAHLLOKOSA-N -1 1 441.440 1.995 50 0 IDAAMM COC(=O)[C@H](CO)NC(=O)c1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1 ZINC000328591650 569317063 /nfs/dbraw/zinc/31/70/63/569317063.db2.gz GHORDHPVPNOLRX-HNNXBMFYSA-N -1 1 446.403 1.770 50 0 IDAAMM COc1c2c(cc3c1[C@@H](c1c([O-])[nH]c(=O)n(Cc4ccccc4)c1=O)N(C)CC3)OCO2 ZINC000020111468 569334454 /nfs/dbraw/zinc/33/44/54/569334454.db2.gz APQDIRFZJARDGZ-SFHVURJKSA-N -1 1 437.452 1.605 50 0 biogenic IDAAMM COc1cc2nc(=S)n3c([O-])c(CCC(=O)NCc4ccccn4)[nH]c3c2cc1OC ZINC000020234043 569357236 /nfs/dbraw/zinc/35/72/36/569357236.db2.gz WUUPQTSAGIKYKV-AWEZNQCLSA-N -1 1 439.497 1.863 50 0 IDAAMM CCOC(=O)c1csc([N-]S(=O)(=O)c2ccc(OC)cc2NS(=O)(=O)CC)n1 ZINC000095445266 569367116 /nfs/dbraw/zinc/36/71/16/569367116.db2.gz WHFOOCLKFGPPHQ-UHFFFAOYSA-N -1 1 449.532 1.891 50 0 IDAAMM Nc1nc([O-])c(CC(=O)Nc2cccc(C(=O)Nc3ccc4c(c3)OCCO4)c2)s1 ZINC000003331533 569446508 /nfs/dbraw/zinc/44/65/08/569446508.db2.gz WDUQXKHBFMQLDC-MRXNPFEDSA-N -1 1 426.454 1.995 50 0 IDAAMM COC(=O)Cc1cc(=O)[n-]c(S[C@@H](C)C(=O)Nc2ccc(N3CCOCC3)cc2)n1 ZINC000008720707 569471647 /nfs/dbraw/zinc/47/16/47/569471647.db2.gz VGFNLSSGLDZEJB-ZDUSSCGKSA-N -1 1 432.502 1.854 50 0 IDAAMM C[N-]S(=O)(=O)c1ccc(C(=O)N2CCC(C(=O)NCc3ccc(C)c(F)c3)CC2)o1 ZINC000040113933 569489048 /nfs/dbraw/zinc/48/90/48/569489048.db2.gz FAPPEVPSUMOGEV-UHFFFAOYSA-N -1 1 437.493 1.804 50 0 IDAAMM COc1ccc(CCNC(=O)C(=O)Nc2cc(C)nn2-c2nc3c(c(=O)[n-]2)CCC3)cc1 ZINC000009039907 569497498 /nfs/dbraw/zinc/49/74/98/569497498.db2.gz PULMIHIWAILVEF-UHFFFAOYSA-N -1 1 436.472 1.059 50 0 IDAAMM CC(C)n1c(=O)[nH]c([O-])c([C@H]2c3ccc(O)cc3Oc3[nH]c(=O)n(C(C)C)c(=O)c32)c1=O ZINC000009488342 569539885 /nfs/dbraw/zinc/53/98/85/569539885.db2.gz NQWWSJUFPRVTIR-CYBMUJFWSA-N -1 1 442.428 1.246 50 0 IDAAMM CCCc1cc(=O)[n-]c(-n2nc(C)cc2NC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)n1 ZINC000009660370 569556739 /nfs/dbraw/zinc/55/67/39/569556739.db2.gz UTOKROUYNDJDPD-UHFFFAOYSA-N -1 1 444.517 1.719 50 0 IDAAMM Nc1cc(=O)[n-]c(SCC(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)n1 ZINC000006017134 132275707 /nfs/dbraw/zinc/27/57/07/132275707.db2.gz ZYDJQZXFLHTBAK-UHFFFAOYSA-N -1 1 429.424 1.938 50 0 IDAAMM CC(C)CN1C(=O)[N-]C(=O)[C@]2(Cc3c(=O)n4ccccc4nc3N3CCCCC[C@@H]32)C1=O ZINC000009448847 132317913 /nfs/dbraw/zinc/31/79/13/132317913.db2.gz SFSFCPFIULJWDS-WAIKUNEKSA-N -1 1 437.500 1.720 50 0 IDAAMM CCOC(=O)C1CCN(C(=O)CCc2c(C)nn(-c3nc(C)c(C)c(=O)[n-]3)c2C)CC1 ZINC000016980699 520555877 /nfs/dbraw/zinc/55/58/77/520555877.db2.gz PKMJCLIPBRDJSA-UHFFFAOYSA-N -1 1 429.521 1.924 50 0 IDAAMM CCOC(=O)C1CCN(c2nc3c(c(=O)[n-]2)[C@@H](C(=O)Nc2ccccc2)CC(=O)N3)CC1 ZINC000012390544 520586697 /nfs/dbraw/zinc/58/66/97/520586697.db2.gz KGWMVSVPARELAZ-HNNXBMFYSA-N -1 1 439.472 1.614 50 0 IDAAMM CN(C(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000012630776 523936888 /nfs/dbraw/zinc/93/68/88/523936888.db2.gz XJTIXQLXFSHLBA-INIZCTEOSA-N -1 1 426.491 1.886 50 0 IDAAMM COc1ccc(CN2C(=O)[C@@H]3[C@H](C2=O)[C@H](CCC(=O)[O-])N[C@]32C(=O)Nc3ccccc32)cc1 ZINC000012874007 524020426 /nfs/dbraw/zinc/02/04/26/524020426.db2.gz KWKFEPAZYTYSCC-GHCZAOPSSA-N -1 1 449.463 1.481 50 0 biogenic IDAAMM COc1ccc(Cn2c(=O)[nH]c(=O)c([C@H]3OC(=O)c4c3ccc(OC)c4OC)c2[O-])cc1 ZINC000012658083 524256434 /nfs/dbraw/zinc/25/64/34/524256434.db2.gz WOHKVQKOIYVPDL-KRWDZBQOSA-N -1 1 440.408 1.576 50 0 biogenic IDAAMM O=C(CNC(=O)c1cc(Cl)ccn1)Nc1cc(S(=O)(=O)N2CCCC2)ccc1[O-] ZINC000021899104 526851947 /nfs/dbraw/zinc/85/19/47/526851947.db2.gz BSEOSEXHXVWIDR-UHFFFAOYSA-N -1 1 438.893 1.594 50 0 IDAAMM O=C([O-])C(=O)Cc1cc(I)c(O)c(I)c1 ZINC000004095597 555961952 /nfs/dbraw/zinc/96/19/52/555961952.db2.gz TZPLBTUUWSVGCY-UHFFFAOYSA-N -1 1 431.951 1.798 50 0 in-man IDAAMM CCN(CC)S(=O)(=O)c1ccc(C)c([N-]S(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)c1 ZINC000032686401 556432384 /nfs/dbraw/zinc/43/23/84/556432384.db2.gz YRBGYTMFUYWGDG-UHFFFAOYSA-N -1 1 438.531 1.996 50 0 IDAAMM CC(=O)Nc1cccc([N-]S(=O)(=O)c2cc(N3C(=O)CCS3(=O)=O)ccc2C)c1 ZINC000011858302 556663798 /nfs/dbraw/zinc/66/37/98/556663798.db2.gz JDWIZFNBPKCCTM-UHFFFAOYSA-N -1 1 437.499 1.821 50 0 IDAAMM Cc1ccc(N2C(=O)CCS2(=O)=O)cc1S(=O)(=O)[N-]c1ccc2c(c1)OCCO2 ZINC000011906388 556671511 /nfs/dbraw/zinc/67/15/11/556671511.db2.gz CMGDVSBFBYIYMU-UHFFFAOYSA-N -1 1 438.483 1.634 50 0 IDAAMM O=C(CNC(=O)c1ccc2c(c1)OCO2)Nc1cc(S(=O)(=O)N2CCCC2)ccc1[O-] ZINC000017360601 557069672 /nfs/dbraw/zinc/06/96/72/557069672.db2.gz IEZSJSKWSQXHFN-UHFFFAOYSA-N -1 1 447.469 1.274 50 0 IDAAMM COc1ccc(NS(=O)(=O)c2ccc([O-])c(NC(=O)CNC(=O)[C@H]3C[C@@H]3C)c2)cc1 ZINC000023190416 557072202 /nfs/dbraw/zinc/07/22/02/557072202.db2.gz VOPXWRMELMSDCT-LRDDRELGSA-N -1 1 433.486 1.912 50 0 IDAAMM CCNC(=O)[C@@H](C)NC(=O)c1cccc(NC(=O)Cc2sc(N(CC)CC)nc2[O-])c1 ZINC000011409540 557142530 /nfs/dbraw/zinc/14/25/30/557142530.db2.gz VDKLGKMNDMPXNF-CZUORRHYSA-N -1 1 447.561 1.609 50 0 IDAAMM COc1ccc(NC(=O)c2ccccc2CN2C(=O)CNC2=O)cc1[N-]S(C)(=O)=O ZINC000025599865 557218388 /nfs/dbraw/zinc/21/83/88/557218388.db2.gz BTJACMQHVQGAKD-UHFFFAOYSA-N -1 1 432.458 1.371 50 0 IDAAMM COc1ccc([C@H]2CC(c3c([O-])[nH]c(=O)n(Cc4ccccc4)c3=O)=NN2C(C)=O)cc1 ZINC000101456288 557286581 /nfs/dbraw/zinc/28/65/81/557286581.db2.gz HWKVMKCWEOBUGQ-LJQANCHMSA-N -1 1 434.452 1.997 50 0 IDAAMM COc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCC(=O)N3)cc1S(=O)(=O)N(C)C ZINC000018708121 557854698 /nfs/dbraw/zinc/85/46/98/557854698.db2.gz OOZQZBBTWPEHOC-UHFFFAOYSA-N -1 1 439.515 1.631 50 0 IDAAMM COCCNC(=O)c1c[n-]c2ccc(S(=O)(=O)Nc3ccc(F)cc3F)cc2c1=O ZINC000008595100 562953209 /nfs/dbraw/zinc/95/32/09/562953209.db2.gz KQFOHEPFIKSICS-UHFFFAOYSA-N -1 1 437.424 1.983 50 0 IDAAMM COCCN1C(=O)C(=C(C)Nc2c(C)n(C)n(-c3ccccc3)c2=O)C(=O)[N-]C1=S ZINC000105209733 568908740 /nfs/dbraw/zinc/90/87/40/568908740.db2.gz WVKAGLOUJUHOIU-NTCAYCPXSA-N -1 1 429.502 1.060 50 0 IDAAMM CC(=O)N1CCN(C(=O)c2cnc(N3CCN(c4ccccc4Cl)CC3)[n-]c2=O)CC1 ZINC000036314097 568998960 /nfs/dbraw/zinc/99/89/60/568998960.db2.gz WKBZXXUJOHLLTC-UHFFFAOYSA-N -1 1 444.923 1.054 50 0 IDAAMM CC(C)C(=O)Nc1ccc2[nH]cc([C@@H](C(=O)[O-])N3CCN(CC(=O)N(C)C)CC3)c2c1 ZINC000036359624 569086467 /nfs/dbraw/zinc/08/64/67/569086467.db2.gz XCHDDYCIDCCIRV-FQEVSTJZSA-N -1 1 429.521 1.594 50 0 IDAAMM CCN(CC)S(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)cc1 ZINC000014849737 569182674 /nfs/dbraw/zinc/18/26/74/569182674.db2.gz VLUHDPOMFRMSLY-UHFFFAOYSA-N -1 1 439.515 1.849 50 0 IDAAMM Cc1ccc2c(c1C)NC(=O)[C@]21N[C@H](CCC(=O)[O-])[C@H]2C(=O)N(C3CCCC3)C(=O)[C@H]21 ZINC000002128887 569184324 /nfs/dbraw/zinc/18/43/24/569184324.db2.gz PCTAVKIIFJGKCY-VGHKVXAASA-N -1 1 425.485 1.831 50 0 biogenic IDAAMM Cc1ccc2c(c1C)NC(=O)[C@]21N[C@@H](CCC(=O)[O-])[C@H]2C(=O)N(C3CCCC3)C(=O)[C@H]21 ZINC000002128889 569184331 /nfs/dbraw/zinc/18/43/31/569184331.db2.gz PCTAVKIIFJGKCY-XITLKHQFSA-N -1 1 425.485 1.831 50 0 biogenic IDAAMM Cc1ccc2c(c1)[C@@]1(N[C@H](CCC(=O)[O-])[C@H]3C(=O)N(C4CCCCC4)C(=O)[C@H]31)C(=O)N2 ZINC000002134320 569185225 /nfs/dbraw/zinc/18/52/25/569185225.db2.gz AHGOZVVUHWJLQW-NZQNYPKQSA-N -1 1 425.485 1.913 50 0 biogenic IDAAMM CN1CC(=O)N(Cc2ccc(C(N)=O)cc2[N-]S(=O)(=O)c2cccc(Cl)c2)C1=O ZINC000079105810 569325640 /nfs/dbraw/zinc/32/56/40/569325640.db2.gz HVTANMRNFLZRHN-UHFFFAOYSA-N -1 1 436.877 1.634 50 0 IDAAMM COC(=O)C[C@@H](c1ccc(OCC(=O)[O-])c(OC)c1)c1c(O)nc2ccccn2c1=O ZINC000096116217 569383585 /nfs/dbraw/zinc/38/35/85/569383585.db2.gz JXSMIGXUHWWSNA-ZDUSSCGKSA-N -1 1 428.397 1.567 50 0 biogenic IDAAMM CC(C)CN1C(=O)[N-]C(=O)[C@@]2(Cc3c(=O)n4ccccc4nc3N3CCCCC[C@H]32)C1=O ZINC000230005212 569417169 /nfs/dbraw/zinc/41/71/69/569417169.db2.gz SFSFCPFIULJWDS-HJPURHCSSA-N -1 1 437.500 1.925 50 0 IDAAMM COc1ccc([N-]S(=O)(=O)c2cccc(S(=O)(=O)[C@@H]3CCS(=O)(=O)C3)c2)cc1 ZINC000031772974 569457293 /nfs/dbraw/zinc/45/72/93/569457293.db2.gz KTNFGOLMSSDANC-QGZVFWFLSA-N -1 1 445.540 1.457 50 0 IDAAMM Cc1cc(C)c2c3ccccc3n(CC[N-]S(=O)(=O)c3c(C)[nH]c(=O)[nH]c3=O)c2n1 ZINC000008777814 569475433 /nfs/dbraw/zinc/47/54/33/569475433.db2.gz CANPJIDYSUAHIH-QGZVFWFLSA-N -1 1 427.486 1.805 50 0 IDAAMM CCS(=O)(=O)N1CCc2ccc([N-]S(=O)(=O)c3ccc4c(c3)OCCO4)cc2C1 ZINC000008840362 569478334 /nfs/dbraw/zinc/47/83/34/569478334.db2.gz BVZYTQSFIYCBCU-UHFFFAOYSA-N -1 1 438.527 1.966 50 0 IDAAMM C[C@@H]1CN(c2ccc([N-]S(=O)(=O)c3cccc(S(N)(=O)=O)c3)cc2F)C[C@H](C)O1 ZINC000040152619 569493479 /nfs/dbraw/zinc/49/34/79/569493479.db2.gz QZOFNGQBTSZMJX-BETUJISGSA-N -1 1 443.522 1.888 50 0 IDAAMM CCCc1cc(=O)[n-]c(-n2nc(C)cc2NC(=O)C(=O)NCCc2ccc(OC)cc2)n1 ZINC000009038154 569497409 /nfs/dbraw/zinc/49/74/09/569497409.db2.gz BCBAUZLBCZPKBQ-UHFFFAOYSA-N -1 1 438.488 1.523 50 0 IDAAMM Cc1cc(NC(=O)C(=O)NCc2ccc(Cl)cc2)n(-c2nc3c(c(=O)[n-]2)CCC3)n1 ZINC000009039890 569497451 /nfs/dbraw/zinc/49/74/51/569497451.db2.gz QHTCCAQPWNXCQC-UHFFFAOYSA-N -1 1 426.864 1.661 50 0 IDAAMM O=S(=O)([N-]c1ccc(-n2cnnn2)cc1)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000009083321 569500571 /nfs/dbraw/zinc/50/05/71/569500571.db2.gz PHBWBIHFJTWWCD-UHFFFAOYSA-N -1 1 434.503 1.248 50 0 IDAAMM COc1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1S(=O)(=O)N1CCOCC1 ZINC000009096282 569501434 /nfs/dbraw/zinc/50/14/34/569501434.db2.gz CWRYHEGIPVIJKT-UHFFFAOYSA-N -1 1 430.479 1.656 50 0 IDAAMM Nc1nc(SCC(=O)NCc2ccco2)[n-]c(=O)c1NC(=O)c1ccc(F)c(F)c1 ZINC000009518205 569543959 /nfs/dbraw/zinc/54/39/59/569543959.db2.gz QLGMVCZNQAHWPG-UHFFFAOYSA-N -1 1 435.412 1.884 50 0 IDAAMM COc1cccc(N2C[C@@H](C(=O)Nc3cc(C)nn3-c3nc(C)c(C)c(=O)[n-]3)CC2=O)c1 ZINC000009822371 569569496 /nfs/dbraw/zinc/56/94/96/569569496.db2.gz ACDJSBOBSXTUBF-HNNXBMFYSA-N -1 1 436.472 1.881 50 0 IDAAMM Cc1cc(=O)[n-]c(SCC(=O)Nc2ccccc2N2CCN(S(C)(=O)=O)CC2)n1 ZINC000009143542 132306581 /nfs/dbraw/zinc/30/65/81/132306581.db2.gz NWXDJOPPYDPQHX-UHFFFAOYSA-N -1 1 437.547 1.303 50 0 IDAAMM Cc1ccc(S(=O)(=O)[N-]c2cc3c(cc2N2CCOCC2)n(C)c(=O)c(=O)n3C)cc1 ZINC000009645724 132324772 /nfs/dbraw/zinc/32/47/72/132324772.db2.gz SRASRJKHGMAGHC-UHFFFAOYSA-N -1 1 444.513 1.183 50 0 IDAAMM COCCNC(=O)[C@H]1CCCN1C(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000021712740 523919360 /nfs/dbraw/zinc/91/93/60/523919360.db2.gz JVXPFHWOOHLWLH-LJQANCHMSA-N -1 1 449.504 1.994 50 0 IDAAMM CN(C(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000012630774 523936506 /nfs/dbraw/zinc/93/65/06/523936506.db2.gz XJTIXQLXFSHLBA-MRXNPFEDSA-N -1 1 426.491 1.886 50 0 IDAAMM COc1ccc(Cn2c(=O)[nH]c(=O)c([C@@H]3OC(=O)c4c3ccc(OC)c4OC)c2[O-])cc1 ZINC000012658081 524256546 /nfs/dbraw/zinc/25/65/46/524256546.db2.gz WOHKVQKOIYVPDL-QGZVFWFLSA-N -1 1 440.408 1.576 50 0 biogenic IDAAMM O=C(Nc1ccc2c(c1)OCCO2)[C@H]1CC(=O)Nc2nc(N3CCCCC3)[n-]c(=O)c21 ZINC000012391488 527285574 /nfs/dbraw/zinc/28/55/74/527285574.db2.gz DPRCUELSPVYLGH-ZDUSSCGKSA-N -1 1 425.445 1.596 50 0 IDAAMM Nc1nc(COC(=O)C[N-]S(=O)(=O)c2ccc(F)c(F)c2F)nc2ccccc12 ZINC000012544031 527552135 /nfs/dbraw/zinc/55/21/35/527552135.db2.gz LNFMAYWEIJODFN-UHFFFAOYSA-N -1 1 426.376 1.651 50 0 IDAAMM CCOC(=O)[C@@]([N-]c1ccc(S(N)(=O)=O)cc1)(NC(=O)c1ccccc1)C(F)(F)F ZINC000002187942 555755800 /nfs/dbraw/zinc/75/58/00/555755800.db2.gz BGDLNVQUWRDGCM-QGZVFWFLSA-N -1 1 445.419 1.998 50 0 IDAAMM Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3nccnc3C(=O)[O-])cc2)n1 ZINC000008636581 556194440 /nfs/dbraw/zinc/19/44/40/556194440.db2.gz HDUZBMOSKUPHMW-UHFFFAOYSA-N -1 1 428.430 1.635 50 0 IDAAMM CC(=O)Nc1cccc([N-]S(=O)(=O)c2ccc(N3C(=O)[C@@H](C)CS3(=O)=O)cc2)c1 ZINC000011858252 556663533 /nfs/dbraw/zinc/66/35/33/556663533.db2.gz LOYLQDITCXWHBF-LBPRGKRZSA-N -1 1 437.499 1.758 50 0 IDAAMM COC(=O)c1sccc1NC(=O)C[C@H](CN1CCN(c2ncccn2)CC1)C(=O)[O-] ZINC000072404628 556836391 /nfs/dbraw/zinc/83/63/91/556836391.db2.gz ZUUUAMOVBGDOSZ-CYBMUJFWSA-N -1 1 433.490 1.176 50 0 IDAAMM Cc1nc(SCc2ccccc2)[n-]c(=O)c1CC(=O)N1CCN(S(C)(=O)=O)CC1 ZINC000023138483 557021714 /nfs/dbraw/zinc/02/17/14/557021714.db2.gz KKSUOMGSRPNIFQ-UHFFFAOYSA-N -1 1 436.559 1.017 50 0 IDAAMM CS(=O)(=O)Nc1ccc(C(=O)Nc2cc(S(=O)(=O)N3CCCC3)ccc2[O-])cc1 ZINC000010892572 557073705 /nfs/dbraw/zinc/07/37/05/557073705.db2.gz MKJZSSLNHFCULG-UHFFFAOYSA-N -1 1 439.515 1.801 50 0 IDAAMM Cn1c2ccc(S(=O)(=O)[N-]c3ccc4nc(S(C)(=O)=O)sc4c3)cc2oc1=O ZINC000033298960 557075062 /nfs/dbraw/zinc/07/50/62/557075062.db2.gz XSOWJYIXRDOLKP-UHFFFAOYSA-N -1 1 439.496 1.946 50 0 IDAAMM Cc1ccc(-c2csc3c2[n-]c(N2CCC[C@H](C(=O)NCC(N)=O)C2)nc3=O)cc1 ZINC000049421308 557107781 /nfs/dbraw/zinc/10/77/81/557107781.db2.gz PNFIKDBENRWQEI-AWEZNQCLSA-N -1 1 425.514 1.778 50 0 IDAAMM CC[C@@H](Sc1nc(N)cc(=O)[n-]1)C(=O)N[C@@H](CSCc1ccccc1)C(=O)OC ZINC000009669174 557150043 /nfs/dbraw/zinc/15/00/43/557150043.db2.gz NZGJQPDHMSCHRL-UONOGXRCSA-N -1 1 436.559 1.814 50 0 IDAAMM CN(C)S(=O)(=O)c1ccc(C(=O)[N-]C(=O)CSc2nnc(C3CC3)n2C2CC2)cc1 ZINC000025066451 557193847 /nfs/dbraw/zinc/19/38/47/557193847.db2.gz HKIKFVZGDWWQQV-UHFFFAOYSA-N -1 1 449.558 1.789 50 0 IDAAMM O=C(NCCN1CCN(C(=O)c2cccc(Cl)c2)CC1)c1nc2ccccc2c(=O)[n-]1 ZINC000096301019 557194591 /nfs/dbraw/zinc/19/45/91/557194591.db2.gz WCFBXMZBOOMYPK-UHFFFAOYSA-N -1 1 439.903 1.764 50 0 IDAAMM COC(=O)C[C@H](c1ccc2c(c1)n(C)c(=O)n2C)c1c([O-])nc2ccc(Cl)cn2c1=O ZINC000205969939 557396136 /nfs/dbraw/zinc/39/61/36/557396136.db2.gz UWBDIGJMIUEXDE-CYBMUJFWSA-N -1 1 442.859 1.939 50 0 IDAAMM CCOC(=O)c1ccc([N-]S(=O)(=O)c2cc3c(cc2C)n(C)c(=O)c(=O)n3C)cc1 ZINC000008591319 562951995 /nfs/dbraw/zinc/95/19/95/562951995.db2.gz HFMNJNXMJVKYGI-UHFFFAOYSA-N -1 1 431.470 1.523 50 0 IDAAMM COc1ccc([O-])c(C(=O)c2cnn(C(=O)c3cccc(S(=O)(=O)N(C)C)c3)c2)c1 ZINC000009613225 562974272 /nfs/dbraw/zinc/97/42/72/562974272.db2.gz RSMHLUQWKDDYOU-UHFFFAOYSA-N -1 1 429.454 1.767 50 0 IDAAMM COc1ccc([C@@H]2CC(c3c(=O)[nH]c(=S)n(C)c3[O-])=NN2C(C)=O)c(OC)c1OC ZINC000015834847 568843295 /nfs/dbraw/zinc/84/32/95/568843295.db2.gz XEWTYYNFMYLFOD-LBPRGKRZSA-N -1 1 434.474 1.872 50 0 IDAAMM COCCNC(=O)c1cnc(N2CCN(c3cccc(C(F)(F)F)c3)CC2)[n-]c1=O ZINC000035781560 568922723 /nfs/dbraw/zinc/92/27/23/568922723.db2.gz SYXHQCVAWIAVOM-UHFFFAOYSA-N -1 1 425.411 1.492 50 0 IDAAMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CCC[C@H](C(=O)OCC)C2)c(OC)c1 ZINC000089960384 569169144 /nfs/dbraw/zinc/16/91/44/569169144.db2.gz WUAVQJLFSRONQN-AWEZNQCLSA-N -1 1 448.563 1.811 50 0 IDAAMM O=C([O-])CC[C@H]1N[C@]2(C(=O)Nc3ccccc32)[C@@H]2C(=O)N(C3CCCCCC3)C(=O)[C@H]12 ZINC000002130453 569184931 /nfs/dbraw/zinc/18/49/31/569184931.db2.gz OECOESKZBWEZIY-NZQNYPKQSA-N -1 1 425.485 1.995 50 0 biogenic IDAAMM O=C([O-])CC[C@H]1N[C@]2(C(=O)Nc3ccccc32)[C@@H]2C(=O)N(Cc3ccc(F)cc3)C(=O)[C@H]12 ZINC000002338681 569274902 /nfs/dbraw/zinc/27/49/02/569274902.db2.gz ITLLBGBJIXZGKY-NZQNYPKQSA-N -1 1 437.427 1.611 50 0 IDAAMM COC[C@@H](C)NS(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 ZINC000013041639 569308152 /nfs/dbraw/zinc/30/81/52/569308152.db2.gz LWHPIRTWSWDDLQ-CYBMUJFWSA-N -1 1 444.531 1.818 50 0 IDAAMM O=C(Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1cc2ccc([O-])cc2oc1=O ZINC000095471153 569371835 /nfs/dbraw/zinc/37/18/35/569371835.db2.gz SYHRUUMZNXHBAE-UHFFFAOYSA-N -1 1 430.438 1.772 50 0 IDAAMM COc1ccc([N-]S(=O)(=O)c2cccc(S(=O)(=O)[C@H]3CCS(=O)(=O)C3)c2)cc1 ZINC000031772976 569457328 /nfs/dbraw/zinc/45/73/28/569457328.db2.gz KTNFGOLMSSDANC-KRWDZBQOSA-N -1 1 445.540 1.457 50 0 IDAAMM O=C(CN1CSCC1=O)Nc1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCCO3)cc1 ZINC000008709575 569470775 /nfs/dbraw/zinc/47/07/75/569470775.db2.gz VDTKCXMRSRICHH-UHFFFAOYSA-N -1 1 449.510 1.730 50 0 IDAAMM Cc1ccc2c(c1)[C@@]1(N[C@@H](CCC(=O)[O-])[C@H]3C(=O)N(CCc4ccccc4)C(=O)[C@H]31)C(=O)N2 ZINC000008790437 569476026 /nfs/dbraw/zinc/47/60/26/569476026.db2.gz BMRYPTQIJUYKGS-HOSCZWGSSA-N -1 1 447.491 1.823 50 0 biogenic IDAAMM Cc1cccc2c1NC(=O)[C@]21N[C@@H](CCC(=O)[O-])[C@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]21 ZINC000008790764 569476086 /nfs/dbraw/zinc/47/60/86/569476086.db2.gz HRLBJLBAUIJCAE-UJAPCULTSA-N -1 1 447.491 1.823 50 0 biogenic IDAAMM CCCc1cc(=O)[n-]c(-n2nc(C)cc2NC(=O)C(=O)NCCc2ccccc2OC)n1 ZINC000009038144 569497425 /nfs/dbraw/zinc/49/74/25/569497425.db2.gz JOOGZRYSSYOLCF-UHFFFAOYSA-N -1 1 438.488 1.523 50 0 IDAAMM COCCCNC(=O)c1c[n-]c2ccc(S(=O)(=O)N3C[C@H](C)C[C@H](C)C3)cc2c1=O ZINC000009495450 569541092 /nfs/dbraw/zinc/54/10/92/569541092.db2.gz SLEKRNPRZNRSQL-GASCZTMLSA-N -1 1 435.546 1.961 50 0 IDAAMM COc1ccc(S(=O)(=O)[N-]c2ccc(OC)c(S(N)(=O)=O)c2)cc1NC(C)=O ZINC000009508281 569542305 /nfs/dbraw/zinc/54/23/05/569542305.db2.gz PHIGGOHDGQELQV-UHFFFAOYSA-N -1 1 429.476 1.110 50 0 IDAAMM CC(=O)c1c(C)[nH]c(C(=O)COC(=O)C[N-]S(=O)(=O)c2ccc(F)c(F)c2F)c1C ZINC000009634222 569554398 /nfs/dbraw/zinc/55/43/98/569554398.db2.gz BAMPNOCOAAJZGY-UHFFFAOYSA-N -1 1 446.403 1.956 50 0 IDAAMM Cc1cc(NC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)n(-c2nc(C)c(C)c(=O)[n-]2)n1 ZINC000009822345 569569490 /nfs/dbraw/zinc/56/94/90/569569490.db2.gz QDDPRAIJRMKPMY-UHFFFAOYSA-N -1 1 430.490 1.383 50 0 IDAAMM O=C(NCCCN1CCCC1=O)c1cccc(S(=O)(=O)[N-]c2ccc3c(c2)OCO3)c1 ZINC000009885497 569572916 /nfs/dbraw/zinc/57/29/16/569572916.db2.gz FJNIRTYCJATWOD-UHFFFAOYSA-N -1 1 445.497 1.958 50 0 IDAAMM CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)CSc1nc(N)cc(=O)[n-]1 ZINC000009468690 132318491 /nfs/dbraw/zinc/31/84/91/132318491.db2.gz GPALPOAATPYEGN-UHFFFAOYSA-N -1 1 449.533 1.717 50 0 IDAAMM Cc1nc(N2CCOCC2)[n-]c(=O)c1CCC(=O)NCc1ccccc1Cn1cccn1 ZINC000010572893 132336234 /nfs/dbraw/zinc/33/62/34/132336234.db2.gz VDLLWCNDOZWCPT-UHFFFAOYSA-N -1 1 436.516 1.409 50 0 IDAAMM CC(=O)N1CCCSc2ccc(S(=O)(=O)[N-]c3ccc(S(N)(=O)=O)cc3)cc21 ZINC000035504580 519532933 /nfs/dbraw/zinc/53/29/33/519532933.db2.gz WFYHZVOUDHCRTR-UHFFFAOYSA-N -1 1 441.556 1.984 50 0 IDAAMM COC(=O)c1cc(C(=O)OC)cc(S(=O)(=O)[N-]c2cccc(-n3cnnn3)c2C)c1 ZINC000012508132 521819341 /nfs/dbraw/zinc/81/93/41/521819341.db2.gz YROOSCQOEYXEKW-UHFFFAOYSA-N -1 1 431.430 1.345 50 0 IDAAMM Cc1nnc(NC(=O)CSc2nc(CC(=O)NCCc3ccccc3)cc(=O)[n-]2)s1 ZINC000022629742 526362148 /nfs/dbraw/zinc/36/21/48/526362148.db2.gz CEZMGDBYXHNYOD-UHFFFAOYSA-N -1 1 444.542 1.562 50 0 IDAAMM O=C(CCc1nc(-c2ccco2)no1)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1[O-] ZINC000012822385 526646256 /nfs/dbraw/zinc/64/62/56/526646256.db2.gz VXYTZIVAVDWVAQ-UHFFFAOYSA-N -1 1 448.457 1.627 50 0 IDAAMM O=C(CSc1nc(-c2ccc3c(c2)OCO3)nc2cc(=O)[n-]n21)NC[C@H]1CCCO1 ZINC000021911337 527051293 /nfs/dbraw/zinc/05/12/93/527051293.db2.gz UJLHQDNJVXYIFX-GFCCVEGCSA-N -1 1 429.458 1.201 50 0 IDAAMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1 ZINC000000802945 555559327 /nfs/dbraw/zinc/55/93/27/555559327.db2.gz XRXBULBFZIXDEG-UHFFFAOYSA-N -1 1 426.516 1.907 50 0 IDAAMM Cc1ccc(S(=O)(=O)NC(=N)NCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)[O-])cc1 ZINC000004534346 556000276 /nfs/dbraw/zinc/00/02/76/556000276.db2.gz WBIIPXYJAMICNU-CQSZACIVSA-N -1 1 428.511 1.556 50 0 IDAAMM COc1cc(C(c2c(N)nc(SC)[n-]c2=O)c2c(N)nc(SC)[nH]c2=O)ccc1O ZINC000008382970 556158911 /nfs/dbraw/zinc/15/89/11/556158911.db2.gz NPWYDDYSMPFFLC-UHFFFAOYSA-N -1 1 448.530 1.356 50 0 IDAAMM Nc1cc(=O)[n-]c(S[C@@H](C(=O)Nc2ccc(S(N)(=O)=O)cc2)c2ccccc2)n1 ZINC000009194178 556254415 /nfs/dbraw/zinc/25/44/15/556254415.db2.gz FWCCSVBUAUGLMK-MRXNPFEDSA-N -1 1 431.499 1.472 50 0 IDAAMM Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)C(=O)NCCN3CCCCC3)cc2)no1 ZINC000013688044 556277818 /nfs/dbraw/zinc/27/78/18/556277818.db2.gz RZVPEYDLJDPPPN-UHFFFAOYSA-N -1 1 435.506 1.324 50 0 IDAAMM CCOC(=O)c1sc([N-]C(=O)c2sccc2S(=O)(=O)N2CCOCC2)nc1C ZINC000014122137 556372559 /nfs/dbraw/zinc/37/25/59/556372559.db2.gz HWHCKUQDZJYUMW-UHFFFAOYSA-N -1 1 445.544 1.963 50 0 IDAAMM O=C1CN(S(=O)(=O)c2cccc([N-]S(=O)(=O)c3ccc(Cl)cc3)c2)CCN1 ZINC000032631751 556411653 /nfs/dbraw/zinc/41/16/53/556411653.db2.gz RWYPHUXYWVMGDP-UHFFFAOYSA-N -1 1 429.907 1.261 50 0 IDAAMM O=C(COc1cc(=O)c2c([O-])cc(-c3ccccc3)oc-2c1)N[C@@H]1CCS(=O)(=O)C1 ZINC000013608039 556533592 /nfs/dbraw/zinc/53/35/92/556533592.db2.gz WIOUQTGYNRPRCA-CQSZACIVSA-N -1 1 429.450 1.848 50 0 biogenic IDAAMM O=C(COc1cc([O-])c2c(=O)cc(-c3ccccc3)oc2c1)N[C@@H]1CCS(=O)(=O)C1 ZINC000013608039 556533593 /nfs/dbraw/zinc/53/35/93/556533593.db2.gz WIOUQTGYNRPRCA-CQSZACIVSA-N -1 1 429.450 1.848 50 0 biogenic IDAAMM Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc(C(=O)NC[C@H](O)CN3CCCC3=O)c2)c1 ZINC000072311670 556588286 /nfs/dbraw/zinc/58/82/86/556588286.db2.gz YLNAQNWESZMWMT-IBGZPJMESA-N -1 1 445.541 1.817 50 0 IDAAMM CCCCN1C(=O)[N-]C(=O)[C@@]2(Cc3c(=O)n4ccccc4nc3N3CCCCC[C@@H]32)C1=O ZINC000017016894 556653020 /nfs/dbraw/zinc/65/30/20/556653020.db2.gz IUABTZSJJDEPRP-MWTRTKDXSA-N -1 1 437.500 1.865 50 0 IDAAMM COC(=O)c1ccc([N-]S(=O)(=O)c2ccc(N3C(=O)[C@@H](C)CS3(=O)=O)cc2)cc1 ZINC000011858236 556663505 /nfs/dbraw/zinc/66/35/05/556663505.db2.gz TUAQJUOQLVRPDC-LBPRGKRZSA-N -1 1 438.483 1.587 50 0 IDAAMM COC(=O)c1cccc([N-]S(=O)(=O)c2cc(N3C(=O)CCS3(=O)=O)ccc2C)c1 ZINC000011906057 556671293 /nfs/dbraw/zinc/67/12/93/556671293.db2.gz HKDFWGIQGKMBGR-UHFFFAOYSA-N -1 1 438.483 1.649 50 0 IDAAMM CS(=O)(=O)N1CCN(C(=O)Cc2cc(=O)[n-]c(SCc3ccccc3F)n2)CC1 ZINC000023138386 557021696 /nfs/dbraw/zinc/02/16/96/557021696.db2.gz XTPLCXMGMIPITN-UHFFFAOYSA-N -1 1 440.522 1.260 50 0 IDAAMM Cc1cccc([N-]S(=O)(=O)c2cc(NC(=O)CNC(=O)Cn3cncn3)ccc2C)c1 ZINC000048326087 557066646 /nfs/dbraw/zinc/06/66/46/557066646.db2.gz HHVTYJJWZHTDOS-UHFFFAOYSA-N -1 1 442.501 1.451 50 0 IDAAMM O=C(C=Cc1ccccc1)N1CCN(CCNC(=O)c2nc3ccccc3c(=O)[n-]2)CC1 ZINC000049547844 557112391 /nfs/dbraw/zinc/11/23/91/557112391.db2.gz WZJZMWUHWQZCMT-ZHACJKMWSA-N -1 1 431.496 1.511 50 0 IDAAMM CCCc1cc(=O)[n-]c(SCC(=O)NN2C(=O)N[C@](C)(c3ccc(OC)cc3)C2=O)n1 ZINC000011438142 557147740 /nfs/dbraw/zinc/14/77/40/557147740.db2.gz NIQQWMQVDPKYHT-HXUWFJFHSA-N -1 1 445.501 1.734 50 0 IDAAMM COc1ccccc1-n1c(=O)[nH]c(=O)c(C2=NN(C(C)=O)[C@@H](c3cccs3)C2)c1[O-] ZINC000101456587 557287279 /nfs/dbraw/zinc/28/72/79/557287279.db2.gz VHYKSSGBXGUBDI-CQSZACIVSA-N -1 1 426.454 1.999 50 0 IDAAMM COC(=O)C[C@@H](c1ccc(OC)c(OC)c1C(=O)[O-])c1c(O)nc2ccccn2c1=O ZINC000205957290 557389796 /nfs/dbraw/zinc/38/97/96/557389796.db2.gz CYJZNTOZOQPCDD-LBPRGKRZSA-N -1 1 428.397 1.811 50 0 IDAAMM Nc1nc(SCC(=O)NC[C@@H]2CCCO2)[n-]c(=O)c1NC(=O)c1ccc(F)c(F)c1 ZINC000012033486 557524622 /nfs/dbraw/zinc/52/46/22/557524622.db2.gz MOJHSHBPFMDQOB-JTQLQIEISA-N -1 1 439.444 1.270 50 0 IDAAMM O=C(NCCN1CCN(C(=O)C(Cl)(Cl)Cl)CC1)c1nc2ccccc2c(=O)[n-]1 ZINC000044901544 557540104 /nfs/dbraw/zinc/54/01/04/557540104.db2.gz IRCANVOPOXXJNW-UHFFFAOYSA-N -1 1 446.722 1.580 50 0 IDAAMM Cc1ccc(CNC(=O)c2c[n-]c3ccc(S(=O)(=O)N4CCOCC4)cc3c2=O)cc1 ZINC000006296578 562946565 /nfs/dbraw/zinc/94/65/65/562946565.db2.gz PZJZVAKDWQYGLZ-UHFFFAOYSA-N -1 1 441.509 1.787 50 0 IDAAMM COc1ccc(Cc2[n-][nH]c(=O)c2[C@H](CC(N)=O)c2ccc3c(c2)n(C)c(=O)n3C)cc1 ZINC000263588721 568761249 /nfs/dbraw/zinc/76/12/49/568761249.db2.gz XTASJRKSUWAFRB-MRXNPFEDSA-N -1 1 435.484 1.500 50 0 IDAAMM COc1ccc(NC(=O)Cc2sc(Nc3ccc(S(N)(=O)=O)cc3)nc2[O-])cc1 ZINC000001797022 568908107 /nfs/dbraw/zinc/90/81/07/568908107.db2.gz JYUISKHQRPNLNU-OAHLLOKOSA-N -1 1 434.499 1.781 50 0 IDAAMM CC(C)C(=O)Nc1ccc2[nH]cc([C@H](C(=O)[O-])N3CCN(CC(=O)N(C)C)CC3)c2c1 ZINC000036359625 569086402 /nfs/dbraw/zinc/08/64/02/569086402.db2.gz XCHDDYCIDCCIRV-HXUWFJFHSA-N -1 1 429.521 1.594 50 0 IDAAMM Cc1cccc2c1NC(=O)[C@@]21N[C@@H](CCC(=O)[O-])[C@H]2C(=O)N(C3CCCCC3)C(=O)[C@H]21 ZINC000002132005 569185013 /nfs/dbraw/zinc/18/50/13/569185013.db2.gz CNUXTOQYWCNBPK-XQNUDUSMSA-N -1 1 425.485 1.913 50 0 biogenic IDAAMM COc1cc(C(=O)N2CCN(S(=O)(=O)c3c(C)noc3C)CC2)cc(Cl)c1[O-] ZINC000095946603 569376291 /nfs/dbraw/zinc/37/62/91/569376291.db2.gz HFTGQBHXJJCLPR-UHFFFAOYSA-N -1 1 429.882 1.806 50 0 IDAAMM COC(=O)C[C@H](c1ccc(OCC(=O)[O-])c(OC)c1)c1c(O)nc2ccccn2c1=O ZINC000096116216 569383575 /nfs/dbraw/zinc/38/35/75/569383575.db2.gz JXSMIGXUHWWSNA-CYBMUJFWSA-N -1 1 428.397 1.567 50 0 biogenic IDAAMM Cc1[nH]n(-c2ccc(C)c(C)c2)c(=O)c1C=C1C(=O)N(CC(=O)[O-])C(=O)C(C(N)=O)=C1C ZINC000230213834 569440137 /nfs/dbraw/zinc/44/01/37/569440137.db2.gz ALJCDAROGHVCBZ-OVCLIPMQSA-N -1 1 438.440 1.142 50 0 IDAAMM Nc1nc([O-])c(CC(=O)Nc2cccc(C(=O)Nc3ccc4c(c3)OCCO4)c2)s1 ZINC000003331532 569446511 /nfs/dbraw/zinc/44/65/11/569446511.db2.gz WDUQXKHBFMQLDC-INIZCTEOSA-N -1 1 426.454 1.995 50 0 IDAAMM Cc1ccc2c(c1)[C@@]1(N[C@H](CCC(=O)[O-])[C@H]3C(=O)N(CCc4ccccc4)C(=O)[C@H]31)C(=O)N2 ZINC000008790439 569476055 /nfs/dbraw/zinc/47/60/55/569476055.db2.gz BMRYPTQIJUYKGS-ZHBILRMLSA-N -1 1 447.491 1.823 50 0 biogenic IDAAMM Cc1cccc2c1NC(=O)[C@@]21N[C@@H](CCC(=O)[O-])[C@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]21 ZINC000008790766 569476105 /nfs/dbraw/zinc/47/61/05/569476105.db2.gz HRLBJLBAUIJCAE-XVIHEJCXSA-N -1 1 447.491 1.823 50 0 biogenic IDAAMM Cc1cccc2c1NC(=O)[C@@]21N[C@H](CCC(=O)[O-])[C@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]21 ZINC000008790768 569476114 /nfs/dbraw/zinc/47/61/14/569476114.db2.gz HRLBJLBAUIJCAE-NRGSMNHXSA-N -1 1 447.491 1.823 50 0 biogenic IDAAMM Cn1cc(S(=O)(=O)[N-][C@@H](COc2ccccc2F)c2ccccc2)c(=O)n(C)c1=O ZINC000040119647 569489447 /nfs/dbraw/zinc/48/94/47/569489447.db2.gz KJCIMVNOAGYLMM-INIZCTEOSA-N -1 1 433.461 1.322 50 0 IDAAMM COc1ccccc1CCNC(=O)C(=O)Nc1cc(C)nn1-c1nc2c(c(=O)[n-]1)CCC2 ZINC000009039902 569497511 /nfs/dbraw/zinc/49/75/11/569497511.db2.gz SKZMSDVSJKCYHT-UHFFFAOYSA-N -1 1 436.472 1.059 50 0 IDAAMM COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)OCCO3)cc1C(=O)N1CCOCC1 ZINC000009191370 569510645 /nfs/dbraw/zinc/51/06/45/569510645.db2.gz LINSXKGZDRIDKX-UHFFFAOYSA-N -1 1 434.470 1.740 50 0 IDAAMM CCOc1ccc(S(=O)(=O)[N-]c2cccc(S(=O)(=O)N3CCOCC3)c2)cc1 ZINC000009402914 569529433 /nfs/dbraw/zinc/52/94/33/569529433.db2.gz KURFZSCGTLEOQT-UHFFFAOYSA-N -1 1 426.516 1.907 50 0 IDAAMM Cc1cc2c(cc1[N-]S(=O)(=O)c1ccc(N3CCCC3=O)cc1)n(C)c(=O)c(=O)n2C ZINC000009645719 569556119 /nfs/dbraw/zinc/55/61/19/569556119.db2.gz AZWZIJUMUHMRRS-UHFFFAOYSA-N -1 1 442.497 1.473 50 0 IDAAMM CCc1cc(=O)[n-]c(-n2nc(C)cc2NC(=O)[C@@H]2CC(=O)N(c3ccc(OC)cc3)C2)n1 ZINC000009660353 569556763 /nfs/dbraw/zinc/55/67/63/569556763.db2.gz XUWFIAGRBQAKCX-CQSZACIVSA-N -1 1 436.472 1.827 50 0 IDAAMM COc1ccc(S(=O)(=O)[N-]c2cc3c(cc2N2CCOCC2)n(C)c(=O)n3C)cc1 ZINC000008594548 132284679 /nfs/dbraw/zinc/28/46/79/132284679.db2.gz SXHXZEANTUSWFN-UHFFFAOYSA-N -1 1 432.502 1.523 50 0 IDAAMM COCCN1C(=O)[N-]C(=O)[C@]2(Cc3ccccc3N3CCN(c4ccccc4)C[C@@H]32)C1=O ZINC000009433940 132317305 /nfs/dbraw/zinc/31/73/05/132317305.db2.gz XXVALQCLLLNFGZ-HYBUGGRVSA-N -1 1 434.496 1.649 50 0 IDAAMM COC(=O)c1cc(C(=O)OC)cc(S(=O)(=O)[N-]c2ccc(C)c(S(N)(=O)=O)c2)c1 ZINC000012548711 521819599 /nfs/dbraw/zinc/81/95/99/521819599.db2.gz JAYJRLBHUQVMEO-UHFFFAOYSA-N -1 1 442.471 1.016 50 0 IDAAMM CC[C@H](C)[C@H](NC(=O)C1CCN(C(=O)[C@@H](N)Cc2c[nH]c3ccccc23)CC1)C(=O)[O-] ZINC000012867439 521958155 /nfs/dbraw/zinc/95/81/55/521958155.db2.gz LEOVEARNUMKFIH-DCPHZVHLSA-N -1 1 428.533 1.892 50 0 biogenic IDAAMM COc1ccc2[nH]cc([C@@H](C(=O)[O-])N3CCN(CC(=O)NC[C@H]4CCCO4)CC3)c2c1 ZINC000020733786 525494840 /nfs/dbraw/zinc/49/48/40/525494840.db2.gz FKEBPWFUVXXEFG-IERDGZPVSA-N -1 1 430.505 1.215 50 0 IDAAMM CCCc1cc(=O)[n-]c(SCC(=O)Nc2nnc(SCC(=O)NC(C)=O)s2)n1 ZINC000010077366 556324999 /nfs/dbraw/zinc/32/49/99/556324999.db2.gz CQJPSGOFQUNVPR-UHFFFAOYSA-N -1 1 442.548 1.060 50 0 IDAAMM O=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1[O-])c1ccc2c(c1)NC(=O)CS2 ZINC000013016175 556437973 /nfs/dbraw/zinc/43/79/73/556437973.db2.gz CLGWSCKZGXDWRE-UHFFFAOYSA-N -1 1 449.510 1.710 50 0 IDAAMM CSc1nc([O-])c(C(c2ccccn2)c2c(O)nc(SC)n(C)c2=O)c(=O)n1C ZINC000016225709 556592372 /nfs/dbraw/zinc/59/23/72/556592372.db2.gz UXEYBAYLXRAKSU-UHFFFAOYSA-N -1 1 433.515 1.304 50 0 IDAAMM CSc1ccc(S(=O)(=O)[N-]c2ccc(C(N)=O)cc2)cc1C(=O)N1CCOCC1 ZINC000016649638 556620300 /nfs/dbraw/zinc/62/03/00/556620300.db2.gz NGCPRADNSSTHTR-UHFFFAOYSA-N -1 1 435.527 1.781 50 0 IDAAMM COC(=O)c1ccc([N-]S(=O)(=O)c2ccc(N3C(=O)[C@H](C)CS3(=O)=O)cc2)cc1 ZINC000011858237 556663479 /nfs/dbraw/zinc/66/34/79/556663479.db2.gz TUAQJUOQLVRPDC-GFCCVEGCSA-N -1 1 438.483 1.587 50 0 IDAAMM COc1ccc(C(=O)N2CCN(CCNC(=O)c3nc4ccccc4c(=O)[n-]3)CC2)cc1 ZINC000044921862 556682051 /nfs/dbraw/zinc/68/20/51/556682051.db2.gz QIMKAFNBOJKGIU-UHFFFAOYSA-N -1 1 435.484 1.120 50 0 IDAAMM CCOC(=O)c1cn(CC[N-]S(=O)(=O)c2cc(Br)cnc2Cl)cn1 ZINC000253430590 556697292 /nfs/dbraw/zinc/69/72/92/556697292.db2.gz RFOQETFWKRHDRW-UHFFFAOYSA-N -1 1 437.703 1.849 50 0 IDAAMM COC(=O)c1sccc1NC(=O)C[C@@H](CN1CCN(c2ncccn2)CC1)C(=O)[O-] ZINC000072404627 556836522 /nfs/dbraw/zinc/83/65/22/556836522.db2.gz ZUUUAMOVBGDOSZ-ZDUSSCGKSA-N -1 1 433.490 1.176 50 0 IDAAMM COc1c2c(cc3c1[C@H](c1c(=O)[nH]c(=O)n(-c4ccc(F)cc4)c1[O-])N(C)CC3)OCO2 ZINC000019706879 556865746 /nfs/dbraw/zinc/86/57/46/556865746.db2.gz XCONBRNXFAOYCN-QGZVFWFLSA-N -1 1 441.415 1.685 50 0 biogenic IDAAMM CCOC(=O)[C@@H]1CCCN(c2nc3c(c(=O)[n-]2)[C@H](C(=O)Nc2ccccc2)CC(=O)N3)C1 ZINC000019821437 556924400 /nfs/dbraw/zinc/92/44/00/556924400.db2.gz UDRIHXBXCAHQGU-UKRRQHHQSA-N -1 1 439.472 1.614 50 0 IDAAMM Nc1cc(=O)[n-]c(S[C@@H](C(=O)NCc2ccc(S(N)(=O)=O)cc2)c2ccccc2)n1 ZINC000020198338 556997505 /nfs/dbraw/zinc/99/75/05/556997505.db2.gz SWVBJTWEPZNNOP-QGZVFWFLSA-N -1 1 445.526 1.149 50 0 IDAAMM CCCc1n[n-]c(=S)n1CC(=O)N1CCN(Cc2nc3ccccc3c(=O)[nH]2)CC1 ZINC000010771581 557025783 /nfs/dbraw/zinc/02/57/83/557025783.db2.gz UYDYXDWFVYTBBP-UHFFFAOYSA-N -1 1 427.534 1.474 50 0 IDAAMM Cn1c(=O)cc(COC(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)n(C)c1=O ZINC000011317817 557084694 /nfs/dbraw/zinc/08/46/94/557084694.db2.gz FBZBMPJBMTXFMW-UHFFFAOYSA-N -1 1 447.444 1.381 50 0 IDAAMM O=C(Cc1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1)N[C@@H]1CCS(=O)(=O)C1 ZINC000017638149 557101662 /nfs/dbraw/zinc/10/16/62/557101662.db2.gz LYUDPBGPMUKEBD-MRXNPFEDSA-N -1 1 426.491 1.472 50 0 IDAAMM Cc1nc(N2CCOCC2)[n-]c(=O)c1CCC(=O)N[C@H](C)c1ccc(-n2cncn2)cc1 ZINC000011406684 557142252 /nfs/dbraw/zinc/14/22/52/557142252.db2.gz QVSVHVJVZUCGEO-OAHLLOKOSA-N -1 1 437.504 1.306 50 0 IDAAMM CC[C@@H](Sc1nc(N)cc(=O)[n-]1)C(=O)N[C@H](CSCc1ccccc1)C(=O)OC ZINC000009669175 557150205 /nfs/dbraw/zinc/15/02/05/557150205.db2.gz NZGJQPDHMSCHRL-ZIAGYGMSSA-N -1 1 436.559 1.814 50 0 IDAAMM O=C1CCCC(=O)N1CCS(=O)(=O)[N-]c1cnn(C[C@@H]2COc3ccccc3O2)c1 ZINC000206846905 557166306 /nfs/dbraw/zinc/16/63/06/557166306.db2.gz SEHPRSYPHHDRPT-OAHLLOKOSA-N -1 1 434.474 1.004 50 0 IDAAMM CC(C)n1c(=O)[nH]c([O-])c([C@H]2c3ccccc3Oc3[nH]c(=O)n(C(C)C)c(=O)c32)c1=O ZINC000018039720 557232797 /nfs/dbraw/zinc/23/27/97/557232797.db2.gz GMKGOVGULOZXML-CYBMUJFWSA-N -1 1 426.429 1.952 50 0 IDAAMM COc1ccc(OC)c([C@@H]2CC(c3c(=O)[nH]c(=O)n(CCc4ccccc4)c3[O-])=NN2)c1 ZINC000101762545 557297114 /nfs/dbraw/zinc/29/71/14/557297114.db2.gz KMMRIYODPHXFAK-KRWDZBQOSA-N -1 1 436.468 1.941 50 0 IDAAMM COC(=O)C[C@H](c1cc2ccc(OC)cc2n(C)c1=O)c1c([O-])nc2ccccn2c1=O ZINC000205949245 557368256 /nfs/dbraw/zinc/36/82/56/557368256.db2.gz CRUDPIDSIFDGSW-OAHLLOKOSA-N -1 1 435.436 1.956 50 0 IDAAMM Cc1cc(NC(=O)CSc2nc(N)c(NC(=O)c3ccc(F)c(F)c3)c(=O)[n-]2)no1 ZINC000012033494 557524706 /nfs/dbraw/zinc/52/47/06/557524706.db2.gz OWPDWLJDNWVMSW-UHFFFAOYSA-N -1 1 436.400 1.910 50 0 IDAAMM COCCNC(=O)c1c[n-]c2ccc(S(=O)(=O)N3CCc4ccccc43)cc2c1=O ZINC000006296492 562946592 /nfs/dbraw/zinc/94/65/92/562946592.db2.gz QDXFZLLDEBIIIR-UHFFFAOYSA-N -1 1 427.482 1.656 50 0 IDAAMM CCCc1cc(=O)[n-]c(SCC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)n1 ZINC000008692587 562963594 /nfs/dbraw/zinc/96/35/94/562963594.db2.gz KAGBKAFZSYQNDV-UHFFFAOYSA-N -1 1 436.559 1.348 50 0 IDAAMM COc1ccc([C@H]2CC(c3c(=O)[nH]c(=S)n(C)c3[O-])=NN2C(C)=O)c(OC)c1OC ZINC000015834850 568843283 /nfs/dbraw/zinc/84/32/83/568843283.db2.gz XEWTYYNFMYLFOD-GFCCVEGCSA-N -1 1 434.474 1.872 50 0 IDAAMM C[C@@H]1C[C@H](C)CN(C(=O)c2c[n-]c3ccc(S(=O)(=O)N4CCOCC4)cc3c2=O)C1 ZINC000006296583 568882366 /nfs/dbraw/zinc/88/23/66/568882366.db2.gz AQNRNGKFUIFONJ-GASCZTMLSA-N -1 1 433.530 1.667 50 0 IDAAMM Cc1cccc(-c2csc3c2[n-]c(N2CCC(C(=O)NCC(N)=O)CC2)nc3=O)c1 ZINC000064611806 568941495 /nfs/dbraw/zinc/94/14/95/568941495.db2.gz GNVOEKDXFOFZCM-UHFFFAOYSA-N -1 1 425.514 1.778 50 0 IDAAMM CN(C)C(=O)COc1ccccc1-c1noc(-c2ccc(S(=O)(=O)[N-]C3CC3)o2)n1 ZINC000036365734 569087006 /nfs/dbraw/zinc/08/70/06/569087006.db2.gz DATLYTRPKOBCEY-UHFFFAOYSA-N -1 1 432.458 1.904 50 0 IDAAMM CN1CCc2c3ccccc3[nH]c2[C@H]1c1c(=O)[nH]c(=O)n(I)c1[O-] ZINC000016956711 569167466 /nfs/dbraw/zinc/16/74/66/569167466.db2.gz YWQHYPHUSFBFLL-CYBMUJFWSA-N -1 1 438.225 1.499 50 0 biogenic IDAAMM O=C([O-])CC[C@H]1N[C@@]2(C(=O)Nc3ccccc32)[C@@H]2C(=O)N(C3CCCCCC3)C(=O)[C@H]12 ZINC000002130454 569184906 /nfs/dbraw/zinc/18/49/06/569184906.db2.gz OECOESKZBWEZIY-YQYRJILISA-N -1 1 425.485 1.995 50 0 biogenic IDAAMM O=C([O-])CC[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@@H]2C(=O)N(C3CCCCCC3)C(=O)[C@@H]21 ZINC000002130455 569184934 /nfs/dbraw/zinc/18/49/34/569184934.db2.gz OECOESKZBWEZIY-FAODYONGSA-N -1 1 425.485 1.995 50 0 biogenic IDAAMM Cc1cccc2c1NC(=O)[C@]21N[C@H](CCC(=O)[O-])[C@H]2C(=O)N(C3CCCCC3)C(=O)[C@H]21 ZINC000002132004 569185095 /nfs/dbraw/zinc/18/50/95/569185095.db2.gz CNUXTOQYWCNBPK-VGHKVXAASA-N -1 1 425.485 1.913 50 0 biogenic IDAAMM COc1ccc(-n2c(=O)[nH]c(=O)c([C@@H]3OC(=O)c4c3ccc(OC)c4OC)c2[O-])cc1 ZINC000002145022 569186719 /nfs/dbraw/zinc/18/67/19/569186719.db2.gz LZEPRXPUFTYHSP-MRXNPFEDSA-N -1 1 426.381 1.517 50 0 biogenic IDAAMM COc1cccc(-n2c(=O)[nH]c(=O)c([C@H]3OC(=O)c4c3ccc(OC)c4OC)c2[O-])c1 ZINC000002145162 569186791 /nfs/dbraw/zinc/18/67/91/569186791.db2.gz XZQUSEMXJRUMHM-INIZCTEOSA-N -1 1 426.381 1.517 50 0 biogenic IDAAMM C[C@H]1CN(c2ccc([N-]S(=O)(=O)c3cccc(S(N)(=O)=O)c3)cc2F)C[C@H](C)O1 ZINC000040152620 569493462 /nfs/dbraw/zinc/49/34/62/569493462.db2.gz QZOFNGQBTSZMJX-STQMWFEESA-N -1 1 443.522 1.888 50 0 IDAAMM Cc1cc(NC(=O)C(=O)NCc2ccccc2Cl)n(-c2nc3c(c(=O)[n-]2)CCC3)n1 ZINC000009039867 569497465 /nfs/dbraw/zinc/49/74/65/569497465.db2.gz IXEXMWCFVPDCJJ-UHFFFAOYSA-N -1 1 426.864 1.661 50 0 IDAAMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(S(=O)(=O)N3CCOCC3)c2)cc1 ZINC000009403479 569529460 /nfs/dbraw/zinc/52/94/60/569529460.db2.gz RGRSJECZGYTCLE-UHFFFAOYSA-N -1 1 439.515 1.467 50 0 IDAAMM Cn1cccc1C(=O)NC(=O)COC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000009467989 569538527 /nfs/dbraw/zinc/53/85/27/569538527.db2.gz DROUGKCVDGTHFU-UHFFFAOYSA-N -1 1 441.465 1.939 50 0 IDAAMM CCc1cc(=O)[n-]c(-n2nc(C)cc2NC(=O)[C@H]2CC(=O)N(c3ccc(OC)cc3)C2)n1 ZINC000009660354 569556782 /nfs/dbraw/zinc/55/67/82/569556782.db2.gz XUWFIAGRBQAKCX-AWEZNQCLSA-N -1 1 436.472 1.827 50 0 IDAAMM CC(=O)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)OC[C@@H](C(=O)N2CCOCC2)O3)cc1 ZINC000009683732 569560466 /nfs/dbraw/zinc/56/04/66/569560466.db2.gz SCKIINCXKFEAPI-FQEVSTJZSA-N -1 1 446.481 1.689 50 0 IDAAMM CCc1cc(=O)[n-]c(-n2nc(C)cc2NC(=O)[C@H]2CC(=O)N(c3cccc(OC)c3)C2)n1 ZINC000009822211 569569494 /nfs/dbraw/zinc/56/94/94/569569494.db2.gz JZPOQXWBRPQJSW-AWEZNQCLSA-N -1 1 436.472 1.827 50 0 IDAAMM O=S(=O)(CCNS(=O)(=O)c1cc(Br)ccc1F)[N-]c1ccccn1 ZINC000072314011 569584182 /nfs/dbraw/zinc/58/41/82/569584182.db2.gz KSJDWIVORVTCAI-UHFFFAOYSA-N -1 1 438.300 1.703 50 0 IDAAMM COCCN1C(=O)[N-]C(=O)[C@@]2(Cc3ccccc3N3CCN(c4ccccc4)C[C@@H]32)C1=O ZINC000009433941 132317291 /nfs/dbraw/zinc/31/72/91/132317291.db2.gz XXVALQCLLLNFGZ-YKSBVNFPSA-N -1 1 434.496 1.649 50 0 IDAAMM CCN1c2nc3ccccn3c(=O)c2C[C@@]2(C(=O)[N-]C(=O)N(C3CCCCC3)C2=O)[C@@H]1C ZINC000013556775 132349774 /nfs/dbraw/zinc/34/97/74/132349774.db2.gz TWTCQJURLIHJPQ-PSLXWICFSA-N -1 1 437.500 1.863 50 0 IDAAMM CC(=O)c1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](CCC(=O)[O-])N[C@]32C(=O)Nc3ccccc32)cc1 ZINC000012873017 518343274 /nfs/dbraw/zinc/34/32/74/518343274.db2.gz DUWSVUOOLWWGQG-GHCZAOPSSA-N -1 1 447.447 1.679 50 0 biogenic IDAAMM CCOC(=O)C1CCN(c2nc3c(c(=O)[n-]2)[C@H](C(=O)Nc2ccccc2)CC(=O)N3)CC1 ZINC000012390543 520587377 /nfs/dbraw/zinc/58/73/77/520587377.db2.gz KGWMVSVPARELAZ-OAHLLOKOSA-N -1 1 439.472 1.614 50 0 IDAAMM CCOc1ccc(-c2nc3cc(=O)[n-]n3c(SCC(=O)NC[C@@H]3CCCO3)n2)cc1 ZINC000021911387 520821434 /nfs/dbraw/zinc/82/14/34/520821434.db2.gz ROGKEBGHGKBRMF-HNNXBMFYSA-N -1 1 429.502 1.871 50 0 IDAAMM CCS(=O)(=O)Nc1cnc(N2CCC(CCN3CCOCC3)CC2)c(C(=O)[O-])c1 ZINC000035397750 521686920 /nfs/dbraw/zinc/68/69/20/521686920.db2.gz AYBJYIFNBHCRIN-UHFFFAOYSA-N -1 1 426.539 1.480 50 0 IDAAMM COC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccc(OC)c([N-]S(C)(=O)=O)c2)c1 ZINC000012525871 521990401 /nfs/dbraw/zinc/99/04/01/521990401.db2.gz PEMWJSSZPYXJRQ-UHFFFAOYSA-N -1 1 428.488 1.963 50 0 IDAAMM COC(=O)c1cccc([N-]S(=O)(=O)c2ccc(N3C(=O)[C@H](C)CS3(=O)=O)cc2)c1 ZINC000011905035 522242089 /nfs/dbraw/zinc/24/20/89/522242089.db2.gz ZOIRXTPTOBTKRZ-GFCCVEGCSA-N -1 1 438.483 1.587 50 0 IDAAMM COC(CNC(=O)c1c[n-]c2ccc(S(=O)(=O)N3CCC(C)CC3)cc2c1=O)OC ZINC000020753984 522535275 /nfs/dbraw/zinc/53/52/75/522535275.db2.gz ZAFNABALMWPULH-UHFFFAOYSA-N -1 1 437.518 1.297 50 0 IDAAMM Cc1ccc(S(=O)(=O)[N-]c2cc3c(cc2N2CCCC2)n(C)c(=O)c(=O)n3C)cc1 ZINC000020991640 525594178 /nfs/dbraw/zinc/59/41/78/525594178.db2.gz HZZHRWULMUTEOT-UHFFFAOYSA-N -1 1 428.514 1.947 50 0 IDAAMM COc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1C ZINC000000639829 555517841 /nfs/dbraw/zinc/51/78/41/555517841.db2.gz WMWZSZPYWGHUNN-UHFFFAOYSA-N -1 1 426.516 1.825 50 0 IDAAMM CCOC(=O)c1ccc([N-]S(=O)(=O)c2ccc(N3C(=O)CCS3(=O)=O)cc2)cc1 ZINC000011906377 556373956 /nfs/dbraw/zinc/37/39/56/556373956.db2.gz ZQZXOJLVZILHDU-UHFFFAOYSA-N -1 1 438.483 1.731 50 0 IDAAMM O=S(=O)([N-]c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1)c1ccc(F)c(F)c1 ZINC000014246711 556406605 /nfs/dbraw/zinc/40/66/05/556406605.db2.gz YCPMYTBGLAEFCO-UHFFFAOYSA-N -1 1 436.433 1.926 50 0 IDAAMM Cn1cc(S(=O)(=O)[N-]C[C@@H](c2c[nH]c3ccccc32)c2ccccc2)c(=O)n(C)c1=O ZINC000012936935 556416472 /nfs/dbraw/zinc/41/64/72/556416472.db2.gz KRABMZBJZUJVCZ-QGZVFWFLSA-N -1 1 438.509 1.676 50 0 IDAAMM CCOc1ccc([C@H]([N-]S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)C(C)C)cc1OCC ZINC000014679444 556431939 /nfs/dbraw/zinc/43/19/39/556431939.db2.gz AFONPVHQQJZPFG-GOSISDBHSA-N -1 1 439.534 1.557 50 0 IDAAMM O=C(CCNC(=O)c1cccc(S(=O)(=O)[N-]c2ccc3c(c2)OCO3)c1)N1CCCC1 ZINC000032716767 556506146 /nfs/dbraw/zinc/50/61/46/556506146.db2.gz XWFUNXDAGUDAAP-UHFFFAOYSA-N -1 1 445.497 1.958 50 0 IDAAMM O=C([O-])CC[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@@H]2C(=O)N(CCc3ccccc3)C(=O)[C@@H]21 ZINC000016021991 556575370 /nfs/dbraw/zinc/57/53/70/556575370.db2.gz RTTDALGSQFWQQJ-GHCZAOPSSA-N -1 1 433.464 1.515 50 0 IDAAMM O=C([O-])CC[C@@H]1N[C@@]2(C(=O)Nc3ccccc32)[C@@H]2C(=O)N(CCc3ccccc3)C(=O)[C@@H]21 ZINC000016021993 556575376 /nfs/dbraw/zinc/57/53/76/556575376.db2.gz RTTDALGSQFWQQJ-QLBZUPSYSA-N -1 1 433.464 1.515 50 0 IDAAMM COc1ccc([N-]S(=O)(=O)c2ccc(N3C(=O)CCS3(=O)=O)cc2C)c(OC)c1 ZINC000011858112 556663155 /nfs/dbraw/zinc/66/31/55/556663155.db2.gz ISEQBHUBSVMQQR-UHFFFAOYSA-N -1 1 440.499 1.880 50 0 IDAAMM CC(=O)N[C@@H](CC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1[O-])c1ccccc1 ZINC000010629639 556683016 /nfs/dbraw/zinc/68/30/16/556683016.db2.gz UUEQFWXXLQTAOC-SFHVURJKSA-N -1 1 447.513 1.619 50 0 IDAAMM COCCOc1ccc(S(=O)(=O)Nc2ccc(OC)c([N-]S(C)(=O)=O)c2)cc1 ZINC000023144770 557067938 /nfs/dbraw/zinc/06/79/38/557067938.db2.gz XPIQOAUOETXVPZ-UHFFFAOYSA-N -1 1 430.504 1.893 50 0 IDAAMM CCNC(=O)[C@H](C)NC(=O)c1cccc(NC(=O)Cc2sc(N(CC)CC)nc2[O-])c1 ZINC000011409559 557142619 /nfs/dbraw/zinc/14/26/19/557142619.db2.gz VDKLGKMNDMPXNF-BBRMVZONSA-N -1 1 447.561 1.609 50 0 IDAAMM O=C(CCC1CCCC1)N1CCN(CCNC(=O)c2nc3ccccc3c(=O)[n-]2)CC1 ZINC000096838475 557205534 /nfs/dbraw/zinc/20/55/34/557205534.db2.gz AQNJQCQRONBOLZ-UHFFFAOYSA-N -1 1 425.533 1.768 50 0 IDAAMM Cc1cc(C)nc(-n2nc3[nH]c(CSc4nnnn4-c4ccccc4)cc(=O)c3c2[O-])n1 ZINC000018240899 557253629 /nfs/dbraw/zinc/25/36/29/557253629.db2.gz JGQPINLBVFWJBP-UHFFFAOYSA-N -1 1 447.484 1.682 50 0 IDAAMM Cc1cc(C)nc(-n2nc3[nH]c(CSc4nnnn4-c4ccccc4)cc([O-])c-3c2=O)n1 ZINC000018240899 557253633 /nfs/dbraw/zinc/25/36/33/557253633.db2.gz JGQPINLBVFWJBP-UHFFFAOYSA-N -1 1 447.484 1.682 50 0 IDAAMM CCCCn1c(=O)[nH]c([O-])c(C2=NN(C(C)=O)[C@H](c3ccc(OC)c(OC)c3)C2)c1=O ZINC000101455766 557286387 /nfs/dbraw/zinc/28/63/87/557286387.db2.gz OVPVKLYGFHTEBX-HNNXBMFYSA-N -1 1 430.461 1.757 50 0 IDAAMM CC(=O)N1CCSc2ccc(S(=O)(=O)[N-]c3ccc(S(N)(=O)=O)cc3)cc21 ZINC000032943705 557317888 /nfs/dbraw/zinc/31/78/88/557317888.db2.gz AVEZRCAHJBDKCY-UHFFFAOYSA-N -1 1 427.529 1.593 50 0 IDAAMM COC(=O)C[C@@H](c1cc2ccc(OC)cc2n(C)c1=O)c1c([O-])nc2ccccn2c1=O ZINC000205949260 557368174 /nfs/dbraw/zinc/36/81/74/557368174.db2.gz CRUDPIDSIFDGSW-HNNXBMFYSA-N -1 1 435.436 1.956 50 0 IDAAMM COC(=O)C[C@H](c1ccc(OCC(=O)[O-])c(OC)c1)c1c(O)nc2ccccn2c1=O ZINC000205944050 557368206 /nfs/dbraw/zinc/36/82/06/557368206.db2.gz VUYHSLGLGOWISW-CYBMUJFWSA-N -1 1 428.397 1.567 50 0 IDAAMM CCNC(=O)COc1cccc(NC(=O)c2nn(-c3ccc(F)cc3)c([O-])cc2=O)c1 ZINC000240894764 557845739 /nfs/dbraw/zinc/84/57/39/557845739.db2.gz IPQHIJQJBRTOTE-UHFFFAOYSA-N -1 1 426.404 1.641 50 0 IDAAMM O=C1[N-]C(=S)NC(=O)C12[C@@H](c1ccc(F)cc1)NC(=S)N[C@H]2c1ccc(F)cc1 ZINC000013110831 562984490 /nfs/dbraw/zinc/98/44/90/562984490.db2.gz UDWDDKIXDYGXST-OKILXGFUSA-N -1 1 432.477 1.742 50 0 IDAAMM COc1ccc(Cc2[n-][nH]c(=O)c2[C@@H](CC(N)=O)c2ccc3c(c2)n(C)c(=O)n3C)cc1 ZINC000263588720 568761168 /nfs/dbraw/zinc/76/11/68/568761168.db2.gz XTASJRKSUWAFRB-INIZCTEOSA-N -1 1 435.484 1.500 50 0 IDAAMM O=C(NCc1ccc2c(c1)OCO2)c1cnc(N2CCN(c3ccccn3)CC2)[n-]c1=O ZINC000036314077 568998918 /nfs/dbraw/zinc/99/89/18/568998918.db2.gz TXYOEFUIGFNOOG-UHFFFAOYSA-N -1 1 434.456 1.150 50 0 IDAAMM CC(C)C(=O)Nc1ccc2c(c1)[nH]cc2[C@H](C(=O)[O-])N1CCN(CC(=O)N(C)C)CC1 ZINC000036356837 569084475 /nfs/dbraw/zinc/08/44/75/569084475.db2.gz CRFYOIGLJDQRNL-HXUWFJFHSA-N -1 1 429.521 1.594 50 0 IDAAMM Cc1ccc2c(c1)[C@@]1(N[C@@H](CCC(=O)[O-])[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]31)C(=O)N2 ZINC000002129176 569184294 /nfs/dbraw/zinc/18/42/94/569184294.db2.gz YJTFAPLZYSXKBF-GHCZAOPSSA-N -1 1 433.464 1.780 50 0 biogenic IDAAMM Cc1cccc2c1NC(=O)[C@]21N[C@@H](CCC(=O)[O-])[C@H]2C(=O)N(C3CCCCC3)C(=O)[C@H]21 ZINC000002132007 569185051 /nfs/dbraw/zinc/18/50/51/569185051.db2.gz CNUXTOQYWCNBPK-XITLKHQFSA-N -1 1 425.485 1.913 50 0 biogenic IDAAMM COC(=O)C[C@H](c1ccc(OC)c(OC)c1C(=O)[O-])c1c(O)nc2ccccn2c1=O ZINC000096114469 569382902 /nfs/dbraw/zinc/38/29/02/569382902.db2.gz DTMNBSBYHJPYDX-GFCCVEGCSA-N -1 1 428.397 1.811 50 0 biogenic IDAAMM COc1ccc(S(=O)(=O)Nc2cc(C(=O)[O-])ccc2N2CCN(C)CC2)cc1OC ZINC000058009230 569444742 /nfs/dbraw/zinc/44/47/42/569444742.db2.gz ORHPOIWWAFPSMA-UHFFFAOYSA-N -1 1 435.502 1.955 50 0 IDAAMM COc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](CCC(=O)[O-])N[C@]32C(=O)Nc3ccccc32)cc1 ZINC000008789333 569475951 /nfs/dbraw/zinc/47/59/51/569475951.db2.gz IXMYOIIKCORRQG-FAODYONGSA-N -1 1 435.436 1.485 50 0 biogenic IDAAMM O=C(c1cc(Br)ccc1[O-])N1CCN(S(=O)(=O)c2cccnc2)CC1 ZINC000040074482 569486247 /nfs/dbraw/zinc/48/62/47/569486247.db2.gz VRUKQEYAGQXLMC-UHFFFAOYSA-N -1 1 426.292 1.696 50 0 IDAAMM Cc1cc(NC(=O)C(=O)NCCc2c[nH]c3ccccc23)n(-c2nc3c(c(=O)[n-]2)CCC3)n1 ZINC000009039930 569497513 /nfs/dbraw/zinc/49/75/13/569497513.db2.gz JMKSLBGBUXLVFR-UHFFFAOYSA-N -1 1 445.483 1.944 50 0 IDAAMM O=C(c1cccc([N-]S(=O)(=O)c2ccc3c(c2)OCCCO3)c1)N1CCNC(=O)C1 ZINC000009216854 569512214 /nfs/dbraw/zinc/51/22/14/569512214.db2.gz YAVFAICMAAOWSU-UHFFFAOYSA-N -1 1 431.470 1.221 50 0 IDAAMM CN(C)S(=O)(=O)c1ccc(C(=O)[N-]C(=O)CSc2ccc3c(c2)OCCO3)cc1 ZINC000009244402 569515046 /nfs/dbraw/zinc/51/50/46/569515046.db2.gz FUJWNNGTROPWIS-UHFFFAOYSA-N -1 1 436.511 1.757 50 0 IDAAMM O=C(COc1cc(=O)c2c([O-])cc(-c3ccccc3)oc-2c1)N[C@H]1CCS(=O)(=O)C1 ZINC000009410390 569531341 /nfs/dbraw/zinc/53/13/41/569531341.db2.gz WIOUQTGYNRPRCA-AWEZNQCLSA-N -1 1 429.450 1.848 50 0 biogenic IDAAMM O=C(COc1cc([O-])c2c(=O)cc(-c3ccccc3)oc2c1)N[C@H]1CCS(=O)(=O)C1 ZINC000009410390 569531342 /nfs/dbraw/zinc/53/13/42/569531342.db2.gz WIOUQTGYNRPRCA-AWEZNQCLSA-N -1 1 429.450 1.848 50 0 biogenic IDAAMM Cc1c2ccc([O-])cc2oc(=O)c1CCC(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000009488004 569539832 /nfs/dbraw/zinc/53/98/32/569539832.db2.gz XURSOGUEBOCJCB-UHFFFAOYSA-N -1 1 430.482 1.746 50 0 IDAAMM Cn1cc(S(=O)(=O)[N-]C[C@@H](c2cccs2)c2c[nH]c3ccccc32)c(=O)n(C)c1=O ZINC000009620479 569553468 /nfs/dbraw/zinc/55/34/68/569553468.db2.gz KIPTXGADKIXXKN-OAHLLOKOSA-N -1 1 444.538 1.737 50 0 IDAAMM CC(=O)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)OC[C@H](C(=O)N2CCOCC2)O3)cc1 ZINC000009683730 569560402 /nfs/dbraw/zinc/56/04/02/569560402.db2.gz SCKIINCXKFEAPI-HXUWFJFHSA-N -1 1 446.481 1.689 50 0 IDAAMM COc1cccc(N2C[C@H](C(=O)Nc3cc(C)nn3-c3nc(C)c(C)c(=O)[n-]3)CC2=O)c1 ZINC000009822364 569569508 /nfs/dbraw/zinc/56/95/08/569569508.db2.gz ACDJSBOBSXTUBF-OAHLLOKOSA-N -1 1 436.472 1.881 50 0 IDAAMM CCc1cc(=O)[n-]c(-n2nc(C)cc2NC(=O)[C@@H]2CC(=O)N(c3cccc(OC)c3)C2)n1 ZINC000009822205 569569528 /nfs/dbraw/zinc/56/95/28/569569528.db2.gz JZPOQXWBRPQJSW-CQSZACIVSA-N -1 1 436.472 1.827 50 0 IDAAMM Cc1cc(NC(=O)[C@@H]2CC(=O)N(c3ccc(F)cc3)C2)n(-c2nc3c(c(=O)[n-]2)CCC3)n1 ZINC000009822639 569569587 /nfs/dbraw/zinc/56/95/87/569569587.db2.gz ZMXCDCSVJBRIJN-CYBMUJFWSA-N -1 1 436.447 1.883 50 0 IDAAMM O=C(c1c[n-]c2ccc(S(=O)(=O)Nc3ccccc3F)cc2c1=O)N1CCOCC1 ZINC000009833876 569570376 /nfs/dbraw/zinc/57/03/76/569570376.db2.gz IRTSWCLVKJAOFQ-UHFFFAOYSA-N -1 1 431.445 1.940 50 0 IDAAMM CCOc1ccc(-c2nc3cc(=O)[n-]n3c(SCC(=O)NC[C@H]3CCCO3)n2)cc1 ZINC000021911391 520821710 /nfs/dbraw/zinc/82/17/10/520821710.db2.gz ROGKEBGHGKBRMF-OAHLLOKOSA-N -1 1 429.502 1.871 50 0 IDAAMM CCOC(=O)N1CC[NH+]([C@@H](C(=O)[O-])c2c[nH]c3ccc(NC(=O)CCC(=O)[O-])cc32)CC1 ZINC000031820649 520958094 /nfs/dbraw/zinc/95/80/94/520958094.db2.gz ARSRBSYDCRIIRG-LJQANCHMSA-N -1 1 446.460 1.871 50 0 IDAAMM CN(C)S(=O)(=O)c1ccc(C(=O)[N-]C(=O)CSc2nnc3n2CCCCC3)cc1 ZINC000012788889 521978192 /nfs/dbraw/zinc/97/81/92/521978192.db2.gz KEGZOSXSIKPUPN-UHFFFAOYSA-N -1 1 437.547 1.304 50 0 IDAAMM COc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)N(C)C)cc2)cc1NC(C)=O ZINC000012508134 525084377 /nfs/dbraw/zinc/08/43/77/525084377.db2.gz LSUPIXPPPNPDOU-UHFFFAOYSA-N -1 1 427.504 1.705 50 0 IDAAMM Cc1nn2c(-c3ccc(S(=O)(=O)[N-]CCN4CCOCC4)o3)nnc2c2ccccc12 ZINC000020547383 526308446 /nfs/dbraw/zinc/30/84/46/526308446.db2.gz AXFCGCBXMVGACE-UHFFFAOYSA-N -1 1 442.501 1.456 50 0 IDAAMM COc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)NC[C@@H]3CCCO3)cc2)cc1 ZINC000000815546 555561900 /nfs/dbraw/zinc/56/19/00/555561900.db2.gz AWRANEIZIBPLPR-INIZCTEOSA-N -1 1 426.516 1.953 50 0 IDAAMM Cn1c2ccc(S(=O)(=O)[N-]c3ccc(C(=O)N4CCCC4)cc3)cc2n(C)c(=O)c1=O ZINC000001425431 555695947 /nfs/dbraw/zinc/69/59/47/555695947.db2.gz ZYSRRPNMBJKGBD-UHFFFAOYSA-N -1 1 442.497 1.274 50 0 IDAAMM COC(=O)c1sc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)[O-])c(C(=O)OC)c1C ZINC000003289658 555914444 /nfs/dbraw/zinc/91/44/44/555914444.db2.gz YZFPWJFROOBFDO-LBPRGKRZSA-N -1 1 441.483 1.604 50 0 IDAAMM COCCNC(=O)CNC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000014236267 556399406 /nfs/dbraw/zinc/39/94/06/556399406.db2.gz JKUSJXGXHIYEFA-UHFFFAOYSA-N -1 1 425.894 1.633 50 0 IDAAMM O=C(CCNC(=O)c1ccccc1)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1[O-] ZINC000014245175 556405034 /nfs/dbraw/zinc/40/50/34/556405034.db2.gz QHNUZKBPZUJRRJ-UHFFFAOYSA-N -1 1 433.486 1.172 50 0 IDAAMM CCOC(=O)C1=C([O-])C(=O)N(c2ccc(S(N)(=O)=O)cc2)[C@H]1c1ccc(OC)cc1 ZINC000013127372 556475991 /nfs/dbraw/zinc/47/59/91/556475991.db2.gz BSHMBAHJMWWVFR-KRWDZBQOSA-N -1 1 432.454 1.806 50 0 IDAAMM Cc1cc(-n2c(=O)[n-]c(=O)n(C)c2=O)ccc1Oc1ccc([S@](=O)C(F)(F)F)cc1 ZINC000038469892 556612604 /nfs/dbraw/zinc/61/26/04/556612604.db2.gz QWKYIPKCLAUFCM-SSEXGKCCSA-N -1 1 441.387 1.953 50 0 in-vitro IDAAMM CCNC(=O)[C@@H](C)NC(=O)c1cccc(NC(=O)Cc2sc(N(CC)CC)nc2[O-])c1 ZINC000011409551 557142562 /nfs/dbraw/zinc/14/25/62/557142562.db2.gz VDKLGKMNDMPXNF-CJNGLKHVSA-N -1 1 447.561 1.609 50 0 IDAAMM COc1cc([C@H]2CC(c3c(=O)[nH]c(=S)n(C)c3[O-])=NN2C(C)=O)cc(OC)c1OC ZINC000101495072 557288630 /nfs/dbraw/zinc/28/86/30/557288630.db2.gz GIHMQDFFTQNRKW-GFCCVEGCSA-N -1 1 434.474 1.872 50 0 IDAAMM O=C(NCCN1CCN(S(=O)(=O)c2ccccc2)CC1)c1nc2ccccc2c(=O)[n-]1 ZINC000044892927 557539935 /nfs/dbraw/zinc/53/99/35/557539935.db2.gz WTPPSBYDQIDWES-UHFFFAOYSA-N -1 1 441.513 1.072 50 0 IDAAMM COc1ccc2c(c1OC)C(=O)O[C@@H]2c1c([O-])[nH]c(=O)n(Cc2ccc(F)cc2)c1=O ZINC000002448813 562927781 /nfs/dbraw/zinc/92/77/81/562927781.db2.gz WWYXQYASDFTHRC-INIZCTEOSA-N -1 1 428.372 1.707 50 0 IDAAMM O=S(=O)([N-]c1cccc(S(=O)(=O)N2CCOCC2)c1)c1ccc2c(c1)OCCO2 ZINC000009373607 562969692 /nfs/dbraw/zinc/96/96/92/562969692.db2.gz FMJNBXCSDIUYDK-UHFFFAOYSA-N -1 1 440.499 1.280 50 0 IDAAMM CC(C)C[C@H](NC(=O)C1CCN(C(=O)[C@@H](N)Cc2c[nH]c3ccccc23)CC1)C(=O)[O-] ZINC000004074115 568760406 /nfs/dbraw/zinc/76/04/06/568760406.db2.gz LFGKSTXMMGLRGH-ICSRJNTNSA-N -1 1 428.533 1.892 50 0 biogenic IDAAMM C[C@@H]1CC(=O)Nc2cc(S(=O)(=O)[N-]c3ccc(S(N)(=O)=O)cc3)ccc2S1 ZINC000015730884 568814372 /nfs/dbraw/zinc/81/43/72/568814372.db2.gz KTVBILAMIOLFTR-SNVBAGLBSA-N -1 1 427.529 1.958 50 0 IDAAMM Cn1nnnc1-c1cccc([N-]S(=O)(=O)c2cccc(S(=O)(=O)NC3CC3)c2)c1 ZINC000026231118 568875908 /nfs/dbraw/zinc/87/59/08/568875908.db2.gz HBOUXLNLEOZHAU-UHFFFAOYSA-N -1 1 434.503 1.119 50 0 IDAAMM CN(C)c1nc(C[N-]S(=O)(=O)c2ccc(Br)s2)nc(N2CCCC2)n1 ZINC000575605241 568877997 /nfs/dbraw/zinc/87/79/97/568877997.db2.gz HYPNUDABIFBBKK-UHFFFAOYSA-N -1 1 447.384 1.840 50 0 IDAAMM CCCCCN1C(=O)[N-]C(=O)[C@@]2(Cc3c(=O)n4ccccc4nc3N(CC)[C@H]2C)C1=O ZINC000245325637 568915031 /nfs/dbraw/zinc/91/50/31/568915031.db2.gz GSJPVWMHGHBZSS-FPTDNZKUSA-N -1 1 425.489 1.720 50 0 IDAAMM CCCCCN1C(=O)[N-]C(=O)[C@]2(Cc3c(=O)n4ccccc4nc3N(CC)[C@H]2C)C1=O ZINC000245325639 568915106 /nfs/dbraw/zinc/91/51/06/568915106.db2.gz GSJPVWMHGHBZSS-RCDICMHDSA-N -1 1 425.489 1.720 50 0 IDAAMM Cc1cc(C)n(C(=O)c2cc(S(=O)(=O)N3CCN(c4ccc(F)cc4)CC3)n[n-]2)n1 ZINC000017011507 569170314 /nfs/dbraw/zinc/17/03/14/569170314.db2.gz IXICIGNVOSBUDL-UHFFFAOYSA-N -1 1 432.481 1.562 50 0 IDAAMM Cc1ccc2c(c1)[C@@]1(N[C@@H](CCC(=O)[O-])[C@H]3C(=O)N(C4CCCCC4)C(=O)[C@H]31)C(=O)N2 ZINC000002134324 569185189 /nfs/dbraw/zinc/18/51/89/569185189.db2.gz AHGOZVVUHWJLQW-FAODYONGSA-N -1 1 425.485 1.913 50 0 biogenic IDAAMM COc1ccc(-n2c(=O)[nH]c(=O)c([C@H]3OC(=O)c4c3ccc(OC)c4OC)c2[O-])cc1 ZINC000002145026 569186665 /nfs/dbraw/zinc/18/66/65/569186665.db2.gz LZEPRXPUFTYHSP-INIZCTEOSA-N -1 1 426.381 1.517 50 0 biogenic IDAAMM COc1ccc2c(c1OC)C(=O)O[C@H]2c1c([O-])[nH]c(=O)n(CCc2ccc(F)cc2)c1=O ZINC000002268348 569216481 /nfs/dbraw/zinc/21/64/81/569216481.db2.gz SDNZGOBURBCPGB-QGZVFWFLSA-N -1 1 442.399 1.901 50 0 IDAAMM COc1ccc2c(c1OC)C(=O)O[C@@H]2c1c([O-])[nH]c(=O)n(CCc2ccc(F)cc2)c1=O ZINC000002268349 569216498 /nfs/dbraw/zinc/21/64/98/569216498.db2.gz SDNZGOBURBCPGB-KRWDZBQOSA-N -1 1 442.399 1.901 50 0 IDAAMM O=C([O-])CC[C@@H]1N[C@@]2(C(=O)Nc3ccccc32)[C@@H]2C(=O)N(Cc3ccc(F)cc3)C(=O)[C@@H]21 ZINC000002338686 569274953 /nfs/dbraw/zinc/27/49/53/569274953.db2.gz ITLLBGBJIXZGKY-QYUDBREXSA-N -1 1 437.427 1.611 50 0 IDAAMM NC(=O)c1cc(NC(=O)C[N-]S(=O)(=O)c2c(Cl)cccc2Cl)cc(C(N)=O)c1 ZINC000013026689 569307242 /nfs/dbraw/zinc/30/72/42/569307242.db2.gz USNQVUNJAZPABE-UHFFFAOYSA-N -1 1 445.284 1.108 50 0 IDAAMM Cc1ccc(S(=O)(=O)[N-]c2cc(C(N)=O)ccc2CN2C(=O)CN(C)C2=O)cc1F ZINC000079105805 569325618 /nfs/dbraw/zinc/32/56/18/569325618.db2.gz SPBKKHQYKRPJEP-UHFFFAOYSA-N -1 1 434.449 1.428 50 0 IDAAMM O=C(COc1cc(=O)c2c([O-])cc(-c3ccccc3)oc-2c1)N[C@H]1C=CS(=O)(=O)C1 ZINC000009435427 569534842 /nfs/dbraw/zinc/53/48/42/569534842.db2.gz ZMHMVIISSIMGCM-AWEZNQCLSA-N -1 1 427.434 1.971 50 0 biogenic IDAAMM O=C(COc1cc([O-])c2c(=O)cc(-c3ccccc3)oc2c1)N[C@H]1C=CS(=O)(=O)C1 ZINC000009435427 569534843 /nfs/dbraw/zinc/53/48/43/569534843.db2.gz ZMHMVIISSIMGCM-AWEZNQCLSA-N -1 1 427.434 1.971 50 0 biogenic IDAAMM CCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2cc(C)nn2-c2nc(C)cc(=O)[n-]2)cc1 ZINC000009660344 569556721 /nfs/dbraw/zinc/55/67/21/569556721.db2.gz BKGXQAKJDOEXRI-UHFFFAOYSA-N -1 1 444.517 1.855 50 0 IDAAMM Cc1cc(NC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)n(-c2nc(C)cc(=O)[n-]2)n1 ZINC000009660345 569556731 /nfs/dbraw/zinc/55/67/31/569556731.db2.gz XOCPDPIGIRJNBY-UHFFFAOYSA-N -1 1 442.501 1.609 50 0 IDAAMM Cc1cc(NC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)n(-c2nc3c(c(=O)[n-]2)CCC3)n1 ZINC000009660405 569556838 /nfs/dbraw/zinc/55/68/38/569556838.db2.gz NSMPHXOEDNOHSZ-UHFFFAOYSA-N -1 1 442.501 1.255 50 0 IDAAMM O=C(NCC(F)(F)F)c1nnn(-c2ccc([N-]S(=O)(=O)c3cccc(F)c3)cc2)n1 ZINC000071005549 569566566 /nfs/dbraw/zinc/56/65/66/569566566.db2.gz UNOCTOQAXPFHDA-UHFFFAOYSA-N -1 1 444.370 1.894 50 0 IDAAMM Cc1nc(N2CCOCC2)[n-]c(=O)c1CCC(=O)Nc1ccc2c(c1)NC(=O)[C@H](C)O2 ZINC000013001504 132341624 /nfs/dbraw/zinc/34/16/24/132341624.db2.gz HAPHOPDTCVADPU-ZDUSSCGKSA-N -1 1 427.461 1.206 50 0 IDAAMM COc1ccc([N-]S(=O)(=O)c2ccc(C(=O)O[C@H](C)C(=O)N3CCOCC3)cc2)cc1 ZINC000012520888 524688023 /nfs/dbraw/zinc/68/80/23/524688023.db2.gz DNEAAOFNUMGCLG-OAHLLOKOSA-N -1 1 448.497 1.900 50 0 IDAAMM C[C@H]1Oc2ccc(S(=O)(=O)[N-]c3cccc(C(=O)N4CCOCC4)c3)cc2NC1=O ZINC000012384889 525064506 /nfs/dbraw/zinc/06/45/06/525064506.db2.gz RANACVLFOHWPDB-CYBMUJFWSA-N -1 1 431.470 1.679 50 0 IDAAMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N3CCN(CC(=O)N(C)C)CC3)c2)cc1 ZINC000012557235 525304336 /nfs/dbraw/zinc/30/43/36/525304336.db2.gz GXQBZTGGOREMRF-UHFFFAOYSA-N -1 1 444.557 1.642 50 0 IDAAMM COc1ccc2[nH]cc([C@H](C(=O)[O-])N3CCN(CC(=O)NC[C@@H]4CCCO4)CC3)c2c1 ZINC000020733772 525494051 /nfs/dbraw/zinc/49/40/51/525494051.db2.gz FKEBPWFUVXXEFG-HRAATJIYSA-N -1 1 430.505 1.215 50 0 IDAAMM CCN(CC)S(=O)(=O)c1ccc([O-])c(NC(=O)CN2CC(=O)Oc3ccccc32)c1 ZINC000006147750 535634948 /nfs/dbraw/zinc/63/49/48/535634948.db2.gz VHFVWHZHYVBOBU-UHFFFAOYSA-N -1 1 433.486 1.787 50 0 IDAAMM NS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2ccc(I)cc2)cc1 ZINC000001144842 555652700 /nfs/dbraw/zinc/65/27/00/555652700.db2.gz WZYFLHODTSODRF-UHFFFAOYSA-N -1 1 438.268 1.739 50 0 IDAAMM COC(=O)c1sc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)[O-])c(C(=O)OC)c1C ZINC000003289661 555914533 /nfs/dbraw/zinc/91/45/33/555914533.db2.gz YZFPWJFROOBFDO-GFCCVEGCSA-N -1 1 441.483 1.604 50 0 IDAAMM Nc1cc(=O)[n-]c(S[C@H](C(=O)Nc2ccc(S(N)(=O)=O)cc2)c2ccccc2)n1 ZINC000009194174 556254546 /nfs/dbraw/zinc/25/45/46/556254546.db2.gz FWCCSVBUAUGLMK-INIZCTEOSA-N -1 1 431.499 1.472 50 0 IDAAMM Cc1ccc(Oc2ccc(NC(=O)c3ccc(S(=O)(=O)[N-]CC(N)=O)o3)cn2)cc1 ZINC000072294516 556509078 /nfs/dbraw/zinc/50/90/78/556509078.db2.gz YASMTHSJLLWFEX-UHFFFAOYSA-N -1 1 430.442 1.791 50 0 IDAAMM COc1cc(C)ccc1OCC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1[O-] ZINC000032721312 556531751 /nfs/dbraw/zinc/53/17/51/556531751.db2.gz PYIUVJLJVALDGK-UHFFFAOYSA-N -1 1 436.486 1.748 50 0 IDAAMM O=C([O-])CC[C@H]1N[C@@]2(C(=O)Nc3ccccc32)[C@@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]12 ZINC000016021994 556575349 /nfs/dbraw/zinc/57/53/49/556575349.db2.gz RTTDALGSQFWQQJ-ZHNFZGJGSA-N -1 1 433.464 1.515 50 0 IDAAMM O=C([O-])CC[C@H]1N[C@]2(C(=O)Nc3ccccc32)[C@@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]12 ZINC000016021992 556575439 /nfs/dbraw/zinc/57/54/39/556575439.db2.gz RTTDALGSQFWQQJ-HMSHQKHKSA-N -1 1 433.464 1.515 50 0 IDAAMM Cc1ccc(-n2c(O)c3[n-][nH]c(C(=O)CCN4C(=O)c5ccccc5C4=O)c-3c2=O)cc1 ZINC000016038205 556577688 /nfs/dbraw/zinc/57/76/88/556577688.db2.gz JIPMAJYWEQFPSK-PKOBYXMFSA-N -1 1 430.420 1.068 50 0 IDAAMM COc1cccc(CSc2nc(C)c(CC(=O)N3CCC(C(N)=O)CC3)c(=O)[n-]2)c1 ZINC000023138511 557021647 /nfs/dbraw/zinc/02/16/47/557021647.db2.gz UKOQSSQOEAXSKV-UHFFFAOYSA-N -1 1 430.530 1.646 50 0 IDAAMM O=C(CCc1nc2ccccc2c(=O)[nH]1)Nc1cc(S(=O)(=O)N2CCCC2)ccc1[O-] ZINC000017360280 557069066 /nfs/dbraw/zinc/06/90/66/557069066.db2.gz ZIXAHUVJYMMAOC-UHFFFAOYSA-N -1 1 442.497 1.985 50 0 IDAAMM COc1ccc(NS(=O)(=O)c2ccc([O-])c(NC(=O)CNC(=O)[C@@H]3C[C@H]3C)c2)cc1 ZINC000023190418 557072405 /nfs/dbraw/zinc/07/24/05/557072405.db2.gz VOPXWRMELMSDCT-MLGOLLRUSA-N -1 1 433.486 1.912 50 0 IDAAMM Cc1ccc(-c2csc3c2[n-]c(N2CCC[C@@H](C(=O)NCC(N)=O)C2)nc3=O)cc1 ZINC000049421309 557107791 /nfs/dbraw/zinc/10/77/91/557107791.db2.gz PNFIKDBENRWQEI-CQSZACIVSA-N -1 1 425.514 1.778 50 0 IDAAMM CCCc1cc(=O)[n-]c(SCC(=O)NN2C(=O)N[C@@](C)(c3ccc(OC)cc3)C2=O)n1 ZINC000011438147 557147765 /nfs/dbraw/zinc/14/77/65/557147765.db2.gz NIQQWMQVDPKYHT-FQEVSTJZSA-N -1 1 445.501 1.734 50 0 IDAAMM CCN(CC)C(=O)CSc1nc(N)c(NC(=O)c2ccc(Br)o2)c(=O)[n-]1 ZINC000011612407 557230045 /nfs/dbraw/zinc/23/00/45/557230045.db2.gz OSOAFNOEPLZHDH-UHFFFAOYSA-N -1 1 444.311 1.920 50 0 IDAAMM COc1cc([C@@H]2CC(c3c([O-])[nH]c(=O)n(Cc4ccccc4)c3=O)=NN2)cc(OC)c1O ZINC000101762395 557297144 /nfs/dbraw/zinc/29/71/44/557297144.db2.gz HKCKCEUHOJBPHE-AWEZNQCLSA-N -1 1 438.440 1.452 50 0 IDAAMM COc1ccc([C@H]2CC(c3c(=O)[nH]c(=O)n(-c4ccccc4OC)c3[O-])=NN2)cc1OC ZINC000101762783 557297462 /nfs/dbraw/zinc/29/74/62/557297462.db2.gz SACUNEWZUZJXBO-CYBMUJFWSA-N -1 1 438.440 1.696 50 0 IDAAMM O=C(COC(=O)CCS(=O)(=O)c1ccccc1)[N-]C(=O)c1ccc(OC(F)F)cc1 ZINC000008638897 562960126 /nfs/dbraw/zinc/96/01/26/562960126.db2.gz OVSJYLVSPGZRJA-UHFFFAOYSA-N -1 1 441.408 1.952 50 0 IDAAMM O=C(Cc1n[nH]c(=O)c2ccccc12)Nc1cc(S(=O)(=O)N2CCCC2)ccc1[O-] ZINC000012941959 568870120 /nfs/dbraw/zinc/87/01/20/568870120.db2.gz VKJUPXBLLCXIOD-UHFFFAOYSA-N -1 1 428.470 1.594 50 0 IDAAMM COc1ccc(S(=O)(=O)Nc2ccc(N3CCN(C)CC3)c(C(=O)[O-])c2)cc1OC ZINC000064580542 568934406 /nfs/dbraw/zinc/93/44/06/568934406.db2.gz KCMRETGZUXGQET-UHFFFAOYSA-N -1 1 435.502 1.955 50 0 IDAAMM COc1ccc2c(c1)c([C@H](C(=O)[O-])[N@H+]1CCCN(c3ncccn3)CC1)cn2CC(=O)[O-] ZINC000036366122 569087156 /nfs/dbraw/zinc/08/71/56/569087156.db2.gz HXTTVUKECAUSFZ-HXUWFJFHSA-N -1 1 439.472 1.863 50 0 IDAAMM COc1ccc([C@H](CC(=O)NCCC(=O)[O-])c2c(O)cc(C)oc2=O)c(OC)c1OC ZINC000253413089 569266012 /nfs/dbraw/zinc/26/60/12/569266012.db2.gz SZTXUMDSGDTUNL-ZDUSSCGKSA-N -1 1 435.429 1.793 50 0 biogenic IDAAMM C[N-]S(=O)(=O)c1ccc(C(=O)N2CCC(C(=O)NCCc3ccccc3F)CC2)o1 ZINC000040154767 569493799 /nfs/dbraw/zinc/49/37/99/569493799.db2.gz AZHSFOARUXWKMN-UHFFFAOYSA-N -1 1 437.493 1.538 50 0 IDAAMM O=C([O-])CC[C@@H]1N[C@@]2(C(=O)Nc3c2cccc3Cl)[C@H]2C(=O)N(C[C@@H]3CCCO3)C(=O)[C@@H]12 ZINC000009130328 569505978 /nfs/dbraw/zinc/50/59/78/569505978.db2.gz DERHFNHEHXFYBG-DSHVSQKMSA-N -1 1 447.875 1.104 50 0 IDAAMM CC(=O)Nc1nc(SCC(=O)N2CCOCC2)[n-]c(=O)c1NC(=O)c1ccc(F)cc1 ZINC000009518260 569544008 /nfs/dbraw/zinc/54/40/08/569544008.db2.gz CCXKNYSCLKBERS-UHFFFAOYSA-N -1 1 449.464 1.071 50 0 IDAAMM COc1cccc([N-]S(=O)(=O)c2ccc3c(c2)OC[C@@H](C(=O)N2CCOCC2)O3)c1 ZINC000009683754 569560449 /nfs/dbraw/zinc/56/04/49/569560449.db2.gz QUMVKDWOKURXBO-IBGZPJMESA-N -1 1 434.470 1.495 50 0 IDAAMM COCCn1nnn(-c2ccc([N-]S(=O)(=O)c3ccc(C(F)(F)F)cc3)cc2)c1=O ZINC000077100159 569585308 /nfs/dbraw/zinc/58/53/08/569585308.db2.gz XPWGTHMZHQDKAV-UHFFFAOYSA-N -1 1 443.407 1.895 50 0 IDAAMM