smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C([O-])[C@H](NC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1)c1ccccc1 ZINC000004085310 939030724 /nfs/dbraw/zinc/03/07/24/939030724.db2.gz SPAKBDPWIJTYLN-FZKQIMNGSA-N -1 0 382.372 1.710 50 0 biogenic GDAARM CC(C)(C(=O)[O-])n1ccc(NC(=O)[C@@H]2CCCN(C(=O)N3CCCC3)C2)n1 ZINC000659198939 954312776 /nfs/dbraw/zinc/31/27/76/954312776.db2.gz AKBWDGVQQNDASH-CYBMUJFWSA-N -1 0 377.445 1.569 50 0 GDAARM CN1CC[C@@H](C(=O)N[C@H](CC(=O)[O-])c2cccc(Br)c2)CC1=O ZINC000138025741 529792273 /nfs/dbraw/zinc/79/22/73/529792273.db2.gz WJIXNTVBILEHET-DGCLKSJQSA-N -1 0 383.242 1.950 50 0 GDAARM Cc1cc([N-]S(=O)(=O)c2cc(N3C(=O)CCS3(=O)=O)ccc2C)no1 ZINC000011906391 530554985 /nfs/dbraw/zinc/55/49/85/530554985.db2.gz RREQWRDKFLMLHR-UHFFFAOYSA-N -1 0 385.423 1.159 50 0 GDAARM Cn1c2nc(SCC(=O)[O-])n(Cc3cccc(Cl)c3)c2c(=O)[nH]c1=O ZINC000013739396 530559496 /nfs/dbraw/zinc/55/94/96/530559496.db2.gz GPNGDQWALHECOS-UHFFFAOYSA-N -1 0 380.813 1.302 50 0 GDAARM O=C([O-])[C@H]1CC=CC[C@H]1C(=O)N1CCN(S(=O)(=O)c2cccs2)CC1 ZINC000017078495 530566115 /nfs/dbraw/zinc/56/61/15/530566115.db2.gz DCMPFGMLNGZWOL-OLZOCXBDSA-N -1 0 384.479 1.248 50 0 GDAARM CSc1ccc(S(=O)(=O)N2CCC3(CC2)NC(=O)C[C@@H]3C(=O)[O-])cc1 ZINC000095381946 530816922 /nfs/dbraw/zinc/81/69/22/530816922.db2.gz KERVMCNPVRRNOO-CYBMUJFWSA-N -1 0 384.479 1.153 50 0 GDAARM COc1cc(C(=O)N2CCO[C@H](CC(=O)[O-])C2)cc(OC)c1Br ZINC000261682021 531096160 /nfs/dbraw/zinc/09/61/60/531096160.db2.gz IGEXJJICGGGQJB-SNVBAGLBSA-N -1 0 388.214 1.782 50 0 GDAARM C[C@H](Oc1ccc(F)cc1Br)C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000262943631 531134939 /nfs/dbraw/zinc/13/49/39/531134939.db2.gz IAONQSLXYJKSOK-QPUJVOFHSA-N -1 0 376.178 1.668 50 0 GDAARM O=C(CSc1cn[nH]n1)Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1 ZINC000670417517 531830911 /nfs/dbraw/zinc/83/09/11/531830911.db2.gz IZTOPMISAGASEB-UHFFFAOYSA-N -1 0 396.479 1.793 50 0 GDAARM CN(C)C(=O)[C@H](OC(=O)c1ccccc1)[C@@H](OC(=O)c1ccccc1)C(=O)[O-] ZINC000004521370 204049464 /nfs/dbraw/zinc/04/94/64/204049464.db2.gz LINPSOODYGSBAH-HZPDHXFCSA-N -1 0 385.372 1.610 50 0 GDAARM CCOc1cc([C@H]2NC(=S)N=C(C)C2C(=O)OC)ccc1OCC(=O)[O-] ZINC000004950499 204095865 /nfs/dbraw/zinc/09/58/65/204095865.db2.gz GTZLJZZQTYIKKM-OAHLLOKOSA-N -1 0 380.422 1.515 50 0 GDAARM CC(C)(C)c1cc(=O)n(C(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)[n-]1 ZINC000006550337 204183501 /nfs/dbraw/zinc/18/35/01/204183501.db2.gz HCKFNIAASAOFAH-UHFFFAOYSA-N -1 0 393.465 1.482 50 0 GDAARM COc1ccc(Cn2c(=O)[nH]c([O-])c([C@@H]3OC(=O)c4ccccc43)c2=O)cc1 ZINC000008996004 204296566 /nfs/dbraw/zinc/29/65/66/204296566.db2.gz HTKSUNSLLYEGDZ-MRXNPFEDSA-N -1 0 380.356 1.559 50 0 GDAARM COc1ccc2c(C)c(CC(=O)N[C@H](CSC)C(=O)[O-])c(=O)oc2c1C ZINC000011865473 204356995 /nfs/dbraw/zinc/35/69/95/204356995.db2.gz VJWRXXXAAVYABE-CYBMUJFWSA-N -1 0 379.434 1.893 50 0 GDAARM O=C([O-])C[C@@H](NS(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1)c1ccc(F)cc1 ZINC000013196553 204483857 /nfs/dbraw/zinc/48/38/57/204483857.db2.gz LWQTVVZSEPPIDX-CYBMUJFWSA-N -1 0 379.369 1.490 50 0 GDAARM O=C([O-])CN1C(=O)[C@H]2CCCCN2c2ccc(S(=O)(=O)N3CCCC3)cc21 ZINC000015774386 204575928 /nfs/dbraw/zinc/57/59/28/204575928.db2.gz QFRYEJSUEHAPPO-OAHLLOKOSA-N -1 0 393.465 1.261 50 0 GDAARM Cc1nc(C(=O)[N-]N2C(=O)N[C@@](C)(c3ccco3)C2=O)nn1-c1ccc(F)cc1 ZINC000032882959 204925956 /nfs/dbraw/zinc/92/59/56/204925956.db2.gz NTEMEHPEVLNKKZ-SFHVURJKSA-N -1 0 398.354 1.420 50 0 GDAARM Cn1cc([C@H](C(=O)[O-])[NH+]2CCN(c3ncccn3)CC2)c2ccc(C(=O)[O-])cc21 ZINC000036364891 205014492 /nfs/dbraw/zinc/01/44/92/205014492.db2.gz SJCSWHWAQFMDQI-QGZVFWFLSA-N -1 0 395.419 1.614 50 0 GDAARM C[C@@H]1Cc2ccccc2N1C(=O)c1nc2n(n1)-c1ccccc1S(=O)(=O)[N-]2 ZINC000071890324 205029202 /nfs/dbraw/zinc/02/92/02/205029202.db2.gz KWDNBWIAYSPKAJ-LLVKDONJSA-N -1 0 381.417 1.973 50 0 GDAARM O=C([O-])CCN(C[C@H]1CCCO1)C(=O)c1nc(N2CCCC2)ncc1Cl ZINC000299752084 205105950 /nfs/dbraw/zinc/10/59/50/205105950.db2.gz SRWYWKYVRSBUDJ-GFCCVEGCSA-N -1 0 382.848 1.826 50 0 GDAARM O=C([O-])[C@H](CNC(=O)[C@@H]1CC(=O)N(Cc2ccccn2)C1)Cc1ccccc1 ZINC000299753059 205106737 /nfs/dbraw/zinc/10/67/37/205106737.db2.gz WRMCMRPBXLZROP-DLBZAZTESA-N -1 0 381.432 1.490 50 0 GDAARM CCOc1ccc(C[C@H](CNC(=O)[C@H]2CC(=O)N(C(C)C)C2)C(=O)[O-])cc1 ZINC000299748964 205101069 /nfs/dbraw/zinc/10/10/69/205101069.db2.gz ISBVEFCWNYIDCR-CVEARBPZSA-N -1 0 376.453 1.702 50 0 GDAARM COCCn1c2ccc(C(=O)[O-])cc2n(C[C@H]2COc3ccccc3O2)c1=O ZINC000055154864 205143824 /nfs/dbraw/zinc/14/38/24/205143824.db2.gz PPBXAOLHTJPVAD-AWEZNQCLSA-N -1 0 384.388 1.988 50 0 GDAARM O=C(c1cc(S(=O)(=O)[N-]c2cccc3c2OCCO3)c[nH]1)N1CCCC1 ZINC000055685565 205150370 /nfs/dbraw/zinc/15/03/70/205150370.db2.gz DIJFKAWROUGKSG-UHFFFAOYSA-N -1 0 377.422 1.823 50 0 GDAARM Cn1nc(C(=O)[O-])c2c1CCN(C(=O)[C@H]1CCCN1C(=O)C1CCCCC1)C2 ZINC000067920947 205269049 /nfs/dbraw/zinc/26/90/49/205269049.db2.gz XIAAPJHMEIUOLX-MRXNPFEDSA-N -1 0 388.468 1.574 50 0 GDAARM COCCNS(=O)(=O)c1cc(C(=O)[O-])cc(-n2ncc3ccccc32)c1 ZINC000071754129 205291377 /nfs/dbraw/zinc/29/13/77/205291377.db2.gz RUZHVBSWJHVCFL-UHFFFAOYSA-N -1 0 375.406 1.648 50 0 GDAARM CC1(C)[C@H](C(=O)[O-])[C@H]1C(=O)Nc1ccc(NC(=O)CN2CCOCC2)cc1 ZINC000071284805 205279907 /nfs/dbraw/zinc/27/99/07/205279907.db2.gz HICYOXPENAXXKQ-HOTGVXAUSA-N -1 0 375.425 1.253 50 0 GDAARM CCn1c(SCC(=O)[O-])nnc1[C@@H](C)NC(=O)Cc1ccc(OC)cc1 ZINC000072328102 205325922 /nfs/dbraw/zinc/32/59/22/205325922.db2.gz DTJBVUSKIFHAQT-LLVKDONJSA-N -1 0 378.454 1.903 50 0 GDAARM Cc1cc([N-]S(=O)(=O)c2ccc3c(c2)CN(C(=O)[C@@H]2CCCO2)CC3)no1 ZINC000077458266 205362497 /nfs/dbraw/zinc/36/24/97/205362497.db2.gz YBINKRWBMMTXJH-INIZCTEOSA-N -1 0 391.449 1.848 50 0 GDAARM Cc1nc(-c2cccnc2)ncc1C(=O)N1CCn2nc(CCC(=O)[O-])cc2C1 ZINC000072418112 205347219 /nfs/dbraw/zinc/34/72/19/205347219.db2.gz XIQLSDDTBVAFIU-UHFFFAOYSA-N -1 0 392.419 1.717 50 0 GDAARM CCOc1ncccc1C(=O)N1CC2(C[C@@H]1C(=O)[O-])CCN(C(C)=O)CC2 ZINC000072421434 205348908 /nfs/dbraw/zinc/34/89/08/205348908.db2.gz DHGLLLXUEYNFSB-OAHLLOKOSA-N -1 0 375.425 1.408 50 0 GDAARM CN(C)c1ccc(CCC(=O)N2CCC3(CC2)[C@@H](C(=O)[O-])CC(=O)N3C)cc1 ZINC000095359006 205442815 /nfs/dbraw/zinc/44/28/15/205442815.db2.gz PHEXXOZMQBLRHK-QGZVFWFLSA-N -1 0 387.480 1.609 50 0 GDAARM O=C([O-])CN1CC2(CCC1=O)CCN(C(=O)Cc1ccc3c(c1)OCO3)CC2 ZINC000091830056 205427816 /nfs/dbraw/zinc/42/78/16/205427816.db2.gz CWSQGNLOQJGQLV-UHFFFAOYSA-N -1 0 388.420 1.274 50 0 GDAARM COC(=O)C1(NC(=O)c2ccc3c(c2)[n-]c(=S)n(C)c3=O)CCCCC1 ZINC000102740009 205633951 /nfs/dbraw/zinc/63/39/51/205633951.db2.gz IVWNNRZQDZBHOG-UHFFFAOYSA-N -1 0 375.450 1.828 50 0 GDAARM Cn1cc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)N2CCCC[C@@H]2CCO3)cn1 ZINC000096103667 206116554 /nfs/dbraw/zinc/11/65/54/206116554.db2.gz SRSBQSLSVLDJQX-CQSZACIVSA-N -1 0 390.465 1.998 50 0 GDAARM O=C(c1nc2n(n1)-c1ccccc1S(=O)(=O)[N-]2)N1CCCc2ccccc21 ZINC000084581958 136175060 /nfs/dbraw/zinc/17/50/60/136175060.db2.gz HGNYBOYJTFWZFO-UHFFFAOYSA-N -1 0 381.417 1.975 50 0 GDAARM O=C([O-])c1cc(C(=O)N2CCN(c3ncccn3)CC2)n(-c2ccccc2)n1 ZINC000095424271 136179121 /nfs/dbraw/zinc/17/91/21/136179121.db2.gz KYFAPFGOVDYQGT-UHFFFAOYSA-N -1 0 378.392 1.323 50 0 GDAARM O=C([O-])[C@@H](Cc1ccccc1)NC(=O)CNC(=O)N1CC(=O)Nc2ccccc21 ZINC000008995731 136195910 /nfs/dbraw/zinc/19/59/10/136195910.db2.gz IBTJOOKSKXYREZ-OAHLLOKOSA-N -1 0 396.403 1.616 50 0 biogenic GDAARM Cc1cccnc1N1CCN(C(=O)CC[C@]2(CCC(=O)[O-])CCC(=O)N2)CC1 ZINC000223156672 136205744 /nfs/dbraw/zinc/20/57/44/136205744.db2.gz LJWAFJVIXQTBPY-FQEVSTJZSA-N -1 0 388.468 1.332 50 0 GDAARM O=C([O-])[C@]12CCC(=O)N1c1ccc(F)cc1-c1nc(=O)c(-c3ccccc3)nn12 ZINC000408525775 534541955 /nfs/dbraw/zinc/54/19/55/534541955.db2.gz DIUBNGMLLCMQDJ-HXUWFJFHSA-N -1 0 392.346 1.989 50 0 GDAARM Cn1c(=O)c2c(C(=O)[O-])cc(-c3cccnc3)nc2n(Cc2ccccc2)c1=O ZINC000008185431 527024277 /nfs/dbraw/zinc/02/42/77/527024277.db2.gz VYMSGRAMMNGEBJ-UHFFFAOYSA-N -1 0 388.383 1.904 50 0 GDAARM CN(CC(=O)N1C[C@@H]2c3ccccc3OC[C@]2(C(=O)[O-])C1)Cc1cccnc1 ZINC000096165903 570218340 /nfs/dbraw/zinc/21/83/40/570218340.db2.gz VRFFQMGEKLBCPG-DYESRHJHSA-N -1 0 381.432 1.603 50 0 GDAARM O=C([O-])[C@H]1CCCC[C@H]1C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000000794206 570223501 /nfs/dbraw/zinc/22/35/01/570223501.db2.gz CENXCJHCGKRXDR-CVEARBPZSA-N -1 0 396.465 1.537 50 0 GDAARM CCOC(=O)N1CCC(NC(=O)Cc2csc([N-]c3ncccn3)n2)CC1 ZINC000049029408 570260516 /nfs/dbraw/zinc/26/05/16/570260516.db2.gz RUKUENZPWYERSB-UHFFFAOYSA-N -1 0 390.469 1.956 50 0 GDAARM Cc1ccc(S(=O)(=O)Nc2cnc(N3CCOCC3)c(C(=O)[O-])c2)cc1 ZINC000035397684 570348913 /nfs/dbraw/zinc/34/89/13/570348913.db2.gz SVFFUDWETHDXFV-UHFFFAOYSA-N -1 0 377.422 1.726 50 0 GDAARM CN(Cc1cnc2ccccc2n1)C(=O)CC[C@@]1(CCC(=O)[O-])CCC(=O)N1 ZINC000219355220 570356599 /nfs/dbraw/zinc/35/65/99/570356599.db2.gz RULVRWVESJLWNY-HXUWFJFHSA-N -1 0 384.436 1.882 50 0 GDAARM Cc1oc(CN(C)C(=O)[C@@H]2CCC(=O)N(C)[C@H]2c2cnn(C)c2)cc1C(=O)[O-] ZINC000268924855 570469309 /nfs/dbraw/zinc/46/93/09/570469309.db2.gz DWBUIKMWGDDMAW-PBHICJAKSA-N -1 0 388.424 1.588 50 0 GDAARM O=C([O-])[C@H]1CCCN(C(=O)[C@@H]2CCCN(C(=O)Cc3ccc(F)cc3)C2)C1 ZINC000136115414 570472318 /nfs/dbraw/zinc/47/23/18/570472318.db2.gz HHAXQHYEHUKTFH-CVEARBPZSA-N -1 0 376.428 1.930 50 0 GDAARM CN(Cc1nc(=O)c2sccc2[n-]1)C(=O)c1ccc(N2CCOCC2)nc1 ZINC000030032268 570485629 /nfs/dbraw/zinc/48/56/29/570485629.db2.gz OBCBKOKAJVVHJU-UHFFFAOYSA-N -1 0 385.449 1.488 50 0 GDAARM COc1cc(C(=O)N2CCOC[C@@H]2C(=O)[O-])ccc1OCc1cscn1 ZINC000268964741 570496642 /nfs/dbraw/zinc/49/66/42/570496642.db2.gz BWESEIDTQDPSLW-CYBMUJFWSA-N -1 0 378.406 1.656 50 0 GDAARM COCCS(=O)(=O)c1ccc(C(=O)N2[C@@H]3CCCC[C@H]3C[C@H]2C(=O)[O-])cc1 ZINC000262373606 570667851 /nfs/dbraw/zinc/66/78/51/570667851.db2.gz KINMHSFDRSRZAJ-UAGQMJEPSA-N -1 0 395.477 1.965 50 0 GDAARM COC(=O)c1ccc2c(c1)[n-]c(=S)n(CC(=O)NC[C@@H]1CCCO1)c2=O ZINC000012415783 570669897 /nfs/dbraw/zinc/66/98/97/570669897.db2.gz UVDCSPZEDABJQX-NSHDSACASA-N -1 0 377.422 1.141 50 0 GDAARM Cc1ccc(OCc2nc(CC(=O)N3CCO[C@@H](C(=O)[O-])C3)cs2)cc1 ZINC000263063623 570703493 /nfs/dbraw/zinc/70/34/93/570703493.db2.gz YPDTTYSFLASAHW-OAHLLOKOSA-N -1 0 376.434 1.885 50 0 GDAARM C[C@@H]1CN(C(=O)CSc2nnc(-c3cccs3)n2CCC(=O)[O-])CCO1 ZINC000012788870 570713386 /nfs/dbraw/zinc/71/33/86/570713386.db2.gz QDYZPVYZJQHHJL-LLVKDONJSA-N -1 0 396.494 1.821 50 0 GDAARM Cc1cc(C(=O)[O-])cc(S(=O)(=O)Nc2ccc(C)c(S(N)(=O)=O)c2)c1C ZINC000013079383 570745590 /nfs/dbraw/zinc/74/55/90/570745590.db2.gz KMPIEQNGJQPQFR-UHFFFAOYSA-N -1 0 398.462 1.758 50 0 GDAARM Cc1c2cc(Cl)c([O-])cc2oc(=O)c1CC(=O)N(C)[C@H]1CCS(=O)(=O)C1 ZINC000013628628 570764227 /nfs/dbraw/zinc/76/42/27/570764227.db2.gz DTUQHXMZSXOCTC-JTQLQIEISA-N -1 0 399.852 1.648 50 0 GDAARM COC(=O)c1ccc(OC)c(Cn2[nH][n-]c3c(=O)n(-c4ccccc4)c(=O)c2=3)c1 ZINC000101417262 570822696 /nfs/dbraw/zinc/82/26/96/570822696.db2.gz GRFHOKZUJLSUQZ-IRXDYDNUSA-N -1 0 394.387 1.975 50 0 GDAARM COc1ccc(O)c(C(=O)c2ccc3nc(C)c(CCC(=O)[O-])c(=O)n3c2)c1 ZINC000014190649 570827861 /nfs/dbraw/zinc/82/78/61/570827861.db2.gz OGMXQLDHJXSZMO-UHFFFAOYSA-N -1 0 382.372 1.965 50 0 GDAARM Cc1nn(-c2ccccn2)c(N)c1[C@H]1CC(=O)N(c2ccc(C(=O)[O-])cc2)C1=O ZINC000101713436 570829438 /nfs/dbraw/zinc/82/94/38/570829438.db2.gz ZRBYIYDVCCDAPA-CQSZACIVSA-N -1 0 391.387 1.903 50 0 GDAARM CSC[C@H](NC(=O)COc1ccc2c(c1)oc(=O)c1c2CCCC1)C(=O)[O-] ZINC000002115825 570952463 /nfs/dbraw/zinc/95/24/63/570952463.db2.gz SSNKJOWYWDOWFC-HNNXBMFYSA-N -1 0 391.445 1.983 50 0 biogenic GDAARM Cc1cc(N2C[C@H](CO)[C@H](CN3CCOCC3)C2)nc(-c2ccccc2[O-])n1 ZINC000091595451 571016670 /nfs/dbraw/zinc/01/66/70/571016670.db2.gz FYHNEGYHBCFFSB-IAGOWNOFSA-N -1 0 384.480 1.535 50 0 GDAARM CN1C(=O)C[C@H](C(=O)[O-])C12CCN(C(=O)CCc1ccc3c(c1)OCO3)CC2 ZINC000095369167 571060150 /nfs/dbraw/zinc/06/01/50/571060150.db2.gz WMVKWSHGWYPLIN-CQSZACIVSA-N -1 0 388.420 1.272 50 0 GDAARM CN(CC(=O)N1C[C@@H]2c3ccccc3OC[C@]2(C(=O)[O-])C1)Cc1ccncc1 ZINC000095375989 571064262 /nfs/dbraw/zinc/06/42/62/571064262.db2.gz HBVBRYKNKATHFE-DYESRHJHSA-N -1 0 381.432 1.603 50 0 GDAARM CN1CCN(C(=O)Cc2cccc(NC(=O)c3cccc(C(=O)[O-])c3)c2)CC1 ZINC000582301144 601061529 /nfs/dbraw/zinc/06/15/29/601061529.db2.gz ULIMNPZEIJVHGD-UHFFFAOYSA-N -1 0 381.432 1.954 50 0 GDAARM NS(=O)(=O)c1cccc(NS(=O)(=O)c2ccc(/C=C\C(=O)[O-])cc2)c1 ZINC000033502380 601317374 /nfs/dbraw/zinc/31/73/74/601317374.db2.gz BYSJZGXMBUTLBS-TWGQIWQCSA-N -1 0 382.419 1.233 50 0 GDAARM Cc1nn2cc(Br)cnc2c1S(=O)(=O)[N-]C(=O)[C@@H]1CC1(F)F ZINC000585114123 652084653 /nfs/dbraw/zinc/08/46/53/652084653.db2.gz FQCNUAVUAHPVNO-ZETCQYMHSA-N -1 0 395.185 1.260 50 0 GDAARM Cc1nn2cc(Br)cnc2c1S(=O)(=O)[N-]C(=O)C[C@@H]1C=CCC1 ZINC000857068621 655726810 /nfs/dbraw/zinc/72/68/10/655726810.db2.gz AUDKLCVHGQVUMA-SNVBAGLBSA-N -1 0 399.270 1.961 50 0 GDAARM COc1cc(NC(=O)N2CC[C@@H](C)[C@H](C(=O)[O-])C2)ccc1S(=O)(=O)N(C)C ZINC000579240032 953706387 /nfs/dbraw/zinc/70/63/87/953706387.db2.gz XOIRTDQVCFMCKY-DGCLKSJQSA-N -1 0 399.469 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GDAARM O=C([O-])/C=C/C(=O)N1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 ZINC000002650297 203953911 /nfs/dbraw/zinc/95/39/11/203953911.db2.gz SZOQVGKNFUSKET-SNAWJCMRSA-N -1 0 392.355 1.179 50 0 GDAARM Cc1ccc(S(=O)(=O)[N-]C(=O)N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc1 ZINC000004135140 204028784 /nfs/dbraw/zinc/02/87/84/204028784.db2.gz AJZSAVIIUNBVHO-CABCVRRESA-N -1 0 387.461 1.674 50 0 GDAARM Cc1c(Cl)cccc1NC(=O)CSc1nnc(CCC(=O)[O-])c(=O)n1N ZINC000004854794 204083384 /nfs/dbraw/zinc/08/33/84/204083384.db2.gz MFYRJDQVSIVZCA-UHFFFAOYSA-N -1 0 397.844 1.062 50 0 GDAARM COc1ccc(C(=O)N/C(=C\c2ccc3c(c2)OCO3)C(=O)NCC(=O)[O-])cc1 ZINC000004652686 204059224 /nfs/dbraw/zinc/05/92/24/204059224.db2.gz WYEZSAFURUSGKQ-NVNXTCNLSA-N -1 0 398.371 1.396 50 0 GDAARM COC(=O)C1=C(C)NC(=O)N[C@@H]1c1cc(Cl)cc(OC)c1OCC(=O)[O-] ZINC000005027786 204104318 /nfs/dbraw/zinc/10/43/18/204104318.db2.gz OFVVSBCFTDOPAP-CYBMUJFWSA-N -1 0 384.772 1.613 50 0 GDAARM Nc1nonc1-n1nnc(C(=O)[O-])c1CN1CCC(Cc2ccccc2)CC1 ZINC000005451130 204132817 /nfs/dbraw/zinc/13/28/17/204132817.db2.gz DVRXSMAFLZCSET-UHFFFAOYSA-N -1 0 383.412 1.385 50 0 GDAARM Cc1csc2nc(C)c(S(=O)(=O)[N-]c3ccc4c(c3)OCCO4)c(=O)n12 ZINC000006784738 204204474 /nfs/dbraw/zinc/20/44/74/204204474.db2.gz LCMTZOCESLLVDA-UHFFFAOYSA-N -1 0 393.446 1.945 50 0 GDAARM CON(C)S(=O)(=O)c1ccc([N-]S(=O)(=O)c2cc(F)ccc2F)cc1 ZINC000008746150 204287636 /nfs/dbraw/zinc/28/76/36/204287636.db2.gz HLQYKYDCTUQEAH-UHFFFAOYSA-N -1 0 392.405 1.948 50 0 GDAARM COC(=O)[C@H](C)NC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2OC)c1 ZINC000008778893 204289432 /nfs/dbraw/zinc/28/94/32/204289432.db2.gz BIAMFXCZUGGHAK-LBPRGKRZSA-N -1 0 392.433 1.787 50 0 GDAARM O=C([O-])CNC(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)cc1 ZINC000008783043 204289653 /nfs/dbraw/zinc/28/96/53/204289653.db2.gz DJVOMLNFYBVPMT-UHFFFAOYSA-N -1 0 392.389 1.073 50 0 biogenic,in-vitro GDAARM CCCn1c2[nH]c(-c3ccc(S(=O)(=O)[O-])cc3)nc2c(=O)n(CCC)c1=O ZINC000009229228 204303758 /nfs/dbraw/zinc/30/37/58/204303758.db2.gz 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O=C([O-])C1(NC(=O)[C@H]2CCN(c3ccccc3Br)C2=O)CCC1 ZINC000237957368 205685593 /nfs/dbraw/zinc/68/55/93/205685593.db2.gz WJSCUMJIHXXXOQ-SNVBAGLBSA-N -1 0 381.226 1.926 50 0 GDAARM Cc1nc2sc([C@@H](c3cccs3)N3CCN(CCO)CC3)c([O-])n2n1 ZINC000022459079 205952431 /nfs/dbraw/zinc/95/24/31/205952431.db2.gz NITYWGQBNNQLBA-CYBMUJFWSA-N -1 0 379.511 1.566 50 0 GDAARM CCOC(=O)C(=O)NC(=C([O-])c1ccccc1)S(=O)(=O)c1ccc(C)cc1 ZINC000026771178 206004842 /nfs/dbraw/zinc/00/48/42/206004842.db2.gz HOIJGXIZLVRFEK-GOSISDBHSA-N -1 0 389.429 1.657 50 0 GDAARM Cc1nn(CCC(=O)[O-])c(C)c1[C@@H]1CC(=O)Oc2nc3ccccn3c(=O)c21 ZINC000096232628 206121250 /nfs/dbraw/zinc/12/12/50/206121250.db2.gz VLXHRKNDKDVBQM-LBPRGKRZSA-N -1 0 382.376 1.424 50 0 GDAARM COc1ccc(C(=O)CCC(=O)N2C[C@@H]3CN(C(C)=O)C[C@]3(C(=O)[O-])C2)cc1 ZINC000426581318 533274968 /nfs/dbraw/zinc/27/49/68/533274968.db2.gz RXKSOTUSFMAWMU-YWZLYKJASA-N -1 0 388.420 1.050 50 0 GDAARM COc1ccc(CN2CCN(C(=O)N[C@@H](CCSC)C(=O)[O-])CC2=O)cc1 ZINC000426438538 533559747 /nfs/dbraw/zinc/55/97/47/533559747.db2.gz FTNWYYOYPUDLRZ-HNNXBMFYSA-N -1 0 395.481 1.255 50 0 GDAARM CCNC(=O)Nc1ccc([C@@H](C(=O)[O-])N2CCN(c3cnccn3)CC2)cc1 ZINC000095392791 136178902 /nfs/dbraw/zinc/17/89/02/136178902.db2.gz MADZYONLOANJNZ-KRWDZBQOSA-N -1 0 384.440 1.566 50 0 GDAARM O=C([O-])CC[C@]1(CCC(=O)N2CCN(c3ccc(F)cc3)CC2)CCC(=O)N1 ZINC000218868149 136203849 /nfs/dbraw/zinc/20/38/49/136203849.db2.gz PMXDVGHSFXJIBH-HXUWFJFHSA-N -1 0 391.443 1.768 50 0 GDAARM Cc1ccc(N2CCN(C(=O)CC[C@@]3(CCC(=O)[O-])CCC(=O)N3)CC2)cc1 ZINC000223173984 136205694 /nfs/dbraw/zinc/20/56/94/136205694.db2.gz MZWNASDRBJINEG-OAQYLSRUSA-N -1 0 387.480 1.937 50 0 GDAARM Cc1noc2nc3c(c(C(=O)N4CCCn5nc(C(=O)[O-])cc5C4)c12)CCC3 ZINC000065457230 222130277 /nfs/dbraw/zinc/13/02/77/222130277.db2.gz UYOLEYSLAUANNU-UHFFFAOYSA-N -1 0 381.392 1.961 50 0 GDAARM CNS(=O)(=O)c1ccc(CCC(=O)N2[C@H](C(=O)[O-])C[C@H]3CCCC[C@@H]32)cc1 ZINC000268909295 522285021 /nfs/dbraw/zinc/28/50/21/522285021.db2.gz FOFNCWKJMUCDJA-PVAVHDDUSA-N -1 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Cc1cccc(NC(=O)c2ccccc2NC(=O)Cn2[n-]c(=O)ccc2=O)c1 ZINC000014183442 570826794 /nfs/dbraw/zinc/82/67/94/570826794.db2.gz OGAPPEZLHWYIEE-UHFFFAOYSA-N -1 0 378.388 1.736 50 0 GDAARM CC(=O)N1CCN(C(=O)c2csc([N-]S(=O)(=O)c3ccccc3)n2)CC1 ZINC000012628108 570928158 /nfs/dbraw/zinc/92/81/58/570928158.db2.gz NHWXSTJUOKHIRY-UHFFFAOYSA-N -1 0 394.478 1.248 50 0 GDAARM CSCC[C@H](NC(=O)Cc1c(C)c2ccc(O)c(C)c2oc1=O)C(=O)[O-] ZINC000002098319 570941699 /nfs/dbraw/zinc/94/16/99/570941699.db2.gz BUUYRJDZJDFFFS-ZDUSSCGKSA-N -1 0 379.434 1.980 50 0 biogenic GDAARM O=C([O-])[C@H](Cc1ccccc1)NC(=O)CCCn1c(=O)[nH]c2ccccc2c1=O ZINC000002126962 570957886 /nfs/dbraw/zinc/95/78/86/570957886.db2.gz PHLLRDPTOWPVOY-KRWDZBQOSA-N -1 0 395.415 1.282 50 0 biogenic GDAARM CC(C)C[C@H](NC(=O)[C@H](C(C)C)n1c(=O)[nH]c2ccccc2c1=O)C(=O)[O-] ZINC000002132171 570962084 /nfs/dbraw/zinc/96/20/84/570962084.db2.gz OLTOZLDZIHCZAV-GJZGRUSLSA-N -1 0 375.425 1.502 50 0 biogenic GDAARM C[C@@H](NC(=O)Cn1nc(-c2ccccc2)c2ccccc2c1=O)c1nnn[n-]1 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ZGPTZHPDDWCQNY-QWRGUYRKSA-N -1 0 381.226 1.735 50 0 GDAARM O=C([O-])C[C@H]1CN(C(=O)COc2ccc(Br)cc2F)CCO1 ZINC000262304171 531115547 /nfs/dbraw/zinc/11/55/47/531115547.db2.gz OZKYHBMNHHONJY-JTQLQIEISA-N -1 0 376.178 1.669 50 0 GDAARM CS(=O)(=O)c1cc(C(=O)N2CC[C@H](C(=O)[O-])C2)ccc1Br ZINC000269217571 531624959 /nfs/dbraw/zinc/62/49/59/531624959.db2.gz YUHJLYHYNHLQDS-VIFPVBQESA-N -1 0 376.228 1.399 50 0 GDAARM CCn1cc(S(=O)(=O)[N-]c2ccc3c(c2)N(C)S(=O)(=O)N3C)nc1C ZINC000390830771 532297681 /nfs/dbraw/zinc/29/76/81/532297681.db2.gz NFNUBCIOZZZRBA-UHFFFAOYSA-N -1 0 385.471 1.143 50 0 GDAARM O=C([O-])CCN(C(=O)[C@@H]1CC(=O)N(c2cc(F)cc(F)c2)C1)C1CCOCC1 ZINC000328595108 203758582 /nfs/dbraw/zinc/75/85/82/203758582.db2.gz KXJKUKMJCRKDDU-GFCCVEGCSA-N -1 0 396.390 1.800 50 0 GDAARM Cc1cc(C)cc(-n2c(O)c3[nH][n-]c(C(=O)OCc4ccccc4)c-3c2=O)c1 ZINC000004361422 204040651 /nfs/dbraw/zinc/04/06/51/204040651.db2.gz ZAZODCXQQOXADI-IRXDYDNUSA-N -1 0 377.400 1.864 50 0 GDAARM O=C(c1cnn(C(=O)c2csc(N3CCOCC3)n2)c1)c1ccccc1[O-] ZINC000003348797 204000177 /nfs/dbraw/zinc/00/01/77/204000177.db2.gz FPSBMCLXKVRRJH-UHFFFAOYSA-N -1 0 384.417 1.801 50 0 GDAARM CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](CC(=O)[O-])C(=O)CF ZINC000003979277 204023149 /nfs/dbraw/zinc/02/31/49/204023149.db2.gz LYBWGROBJJXCJJ-CJNGLKHVSA-N -1 0 382.388 1.436 50 0 GDAARM C[C@@]12CC[C@]3(C)OCC(COC(=O)[N-]S(=O)(=O)c4ccccc4)(CO1)N23 ZINC000004511572 204048382 /nfs/dbraw/zinc/04/83/82/204048382.db2.gz CEGWASGGHHMSPN-HOTGVXAUSA-N -1 0 382.438 1.429 50 0 GDAARM C/C=C/C(=O)[N-]S(=O)(=O)c1cc(N)ccc1S(=O)(=O)c1ccc(N)cc1 ZINC000005832117 204152433 /nfs/dbraw/zinc/15/24/33/204152433.db2.gz GXOHHRYFGFWEBA-NSCUHMNNSA-N -1 0 395.462 1.065 50 0 GDAARM O=C(NN1CCOCC1)c1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000006146927 204168342 /nfs/dbraw/zinc/16/83/42/204168342.db2.gz ADOSYPXMZSYSES-UHFFFAOYSA-N -1 0 397.403 1.743 50 0 GDAARM COCCn1c(=O)cc([O-])nc1SCC(=O)Nc1ccc2c(c1)OCCO2 ZINC000009440610 204311381 /nfs/dbraw/zinc/31/13/81/204311381.db2.gz XBZHUXWAEUQNMO-UHFFFAOYSA-N -1 0 393.421 1.097 50 0 GDAARM Cn1c2nc(Nc3cccc(Cl)c3Cl)n(CC(=O)[O-])c2c(=O)n(C)c1=O ZINC000011693977 204350721 /nfs/dbraw/zinc/35/07/21/204350721.db2.gz MMCYMIMNYUMHEO-UHFFFAOYSA-N -1 0 398.206 1.569 50 0 GDAARM C[C@@H](NC(=O)/C(=C/c1ccco1)NC(=O)c1ccc(Br)o1)C(=O)[O-] ZINC000027533948 204856282 /nfs/dbraw/zinc/85/62/82/204856282.db2.gz OBYASUABGHEJEI-FBHKUJJOSA-N -1 0 397.181 1.995 50 0 GDAARM Cc1nc(C(=O)[N-]N2C(=O)N[C@](C)(c3ccco3)C2=O)nn1-c1ccc(F)cc1 ZINC000032882961 204925312 /nfs/dbraw/zinc/92/53/12/204925312.db2.gz NTEMEHPEVLNKKZ-GOSISDBHSA-N -1 0 398.354 1.420 50 0 GDAARM CN1C2=C(C(=O)N(CCC(=O)[O-])C2)[C@H](c2ccc(C(F)(F)F)cc2)NC1=O ZINC000035841946 204996840 /nfs/dbraw/zinc/99/68/40/204996840.db2.gz MXNJRBIYTYHJCX-AWEZNQCLSA-N -1 0 383.326 1.973 50 0 GDAARM O=C([O-])[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CN1Cc2ccccc2C1=O ZINC000036575512 205017700 /nfs/dbraw/zinc/01/77/00/205017700.db2.gz GUPDNGGAZSGPES-GOSISDBHSA-N -1 0 377.400 1.936 50 0 GDAARM O=C(NCC1(c2ccccc2)CC1)c1nc2n(n1)-c1ccccc1S(=O)(=O)[N-]2 ZINC000071890347 205029837 /nfs/dbraw/zinc/02/98/37/205029837.db2.gz GEMYAOUPNSVDJG-UHFFFAOYSA-N -1 0 395.444 1.843 50 0 GDAARM NC(=O)c1c(SCC(=O)Nc2nccs2)sc2c1[nH]c(=O)cc2[O-] ZINC000040287805 205060984 /nfs/dbraw/zinc/06/09/84/205060984.db2.gz CHFNZNRWTWCUKV-UHFFFAOYSA-N -1 0 382.448 1.581 50 0 GDAARM CCOc1cc(C(=O)N[C@@H]2CC(=O)N([C@@H]3C[C@H]3C)C2)ccc1OCC(=O)[O-] ZINC000299742278 205097155 /nfs/dbraw/zinc/09/71/55/205097155.db2.gz AYJNNNBZGZAGRN-MRVWCRGKSA-N -1 0 376.409 1.288 50 0 GDAARM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)Cn1cc(Br)ccc1=O ZINC000299741211 205097402 /nfs/dbraw/zinc/09/74/02/205097402.db2.gz DTLLXUNUHPVODZ-UHTWSYAYSA-N -1 0 383.242 1.855 50 0 GDAARM C[C@]1(c2ccc(C(=O)N(CC(=O)[O-])Cc3ccccc3)cc2)NC(=O)NC1=O ZINC000299744196 205099342 /nfs/dbraw/zinc/09/93/42/205099342.db2.gz NWCDOSLQWNRXQV-HXUWFJFHSA-N -1 0 381.388 1.468 50 0 GDAARM O=C([O-])[C@@H]1CN(C(=O)c2csc(-c3cnn(-c4ccccc4)c3)n2)CCO1 ZINC000299747485 205098594 /nfs/dbraw/zinc/09/85/94/205098594.db2.gz DDPDTSAOXWAKHP-HNNXBMFYSA-N -1 0 384.417 1.921 50 0 GDAARM Cc1cccc(C[C@H](CNC(=O)[C@H]2CCCN(S(C)(=O)=O)C2)C(=O)[O-])c1 ZINC000299753254 205106198 /nfs/dbraw/zinc/10/61/98/205106198.db2.gz XMBOPOITMUIDSC-JKSUJKDBSA-N -1 0 382.482 1.026 50 0 GDAARM COc1cc(F)ccc1-c1ccc(=O)n(CC(=O)N2CCC(C(=O)[O-])CC2)n1 ZINC000049547281 205128604 /nfs/dbraw/zinc/12/86/04/205128604.db2.gz NCWYOJYQPUINEL-UHFFFAOYSA-N -1 0 389.383 1.381 50 0 GDAARM COc1ccc(-c2ccc(=O)n(CC(=O)N[C@@H](C(=O)[O-])c3ccccc3)n2)cc1 ZINC000049547634 205129012 /nfs/dbraw/zinc/12/90/12/205129012.db2.gz BFCKUJHHVBHLCI-HXUWFJFHSA-N -1 0 393.399 1.861 50 0 GDAARM COc1ccc(N2C[C@H](C(=O)N3CCCC[C@@H]3C(=O)[O-])CC2=O)cc1OC ZINC000299751489 205104375 /nfs/dbraw/zinc/10/43/75/205104375.db2.gz QQQVFWZYSCAOLM-TZMCWYRMSA-N -1 0 376.409 1.522 50 0 GDAARM O=C([O-])c1csc(CNC(=O)c2ccc(Cl)c(N3CCNC3=O)c2)n1 ZINC000299751514 205105383 /nfs/dbraw/zinc/10/53/83/205105383.db2.gz QUCYVMMREKIDTG-UHFFFAOYSA-N -1 0 380.813 1.954 50 0 GDAARM CCOCCn1c(=O)n(Cc2noc(C(C)(C)C)n2)c2cc(C(=O)[O-])cnc21 ZINC000055052902 205142124 /nfs/dbraw/zinc/14/21/24/205142124.db2.gz IXXGIXHCOHONLP-UHFFFAOYSA-N -1 0 389.412 1.662 50 0 GDAARM C[C@H](NC(=O)Cn1nc(-c2ccc(Br)cc2)ccc1=O)C(=O)[O-] ZINC000061719600 205182903 /nfs/dbraw/zinc/18/29/03/205182903.db2.gz XMVJDTOYEALPAZ-VIFPVBQESA-N -1 0 380.198 1.262 50 0 GDAARM CCn1ncn2cc(S(=O)(=O)[N-]c3cc(OC)cc(OC)c3)cc2c1=O ZINC000065246773 205222026 /nfs/dbraw/zinc/22/20/26/205222026.db2.gz NFPHARSMDPTGHV-UHFFFAOYSA-N -1 0 378.410 1.334 50 0 GDAARM CCc1nn(C)c(=O)c2cc(S(=O)(=O)[N-]c3cc(OC)cc(OC)c3)cn21 ZINC000065247229 205222049 /nfs/dbraw/zinc/22/20/49/205222049.db2.gz CBOSJPXCPZSBFW-UHFFFAOYSA-N -1 0 392.437 1.413 50 0 GDAARM CCn1nc(C(=O)[O-])c2c1CCN(C(=O)[C@@H](c1cccnc1)N1CCCC1)C2 ZINC000067675039 205254377 /nfs/dbraw/zinc/25/43/77/205254377.db2.gz RDOFXMQRZMGITM-GOSISDBHSA-N -1 0 383.452 1.718 50 0 GDAARM Cc1ccc(F)c(OC2(C(=O)[O-])CCN(S(=O)(=O)c3cnn(C)c3)CC2)c1 ZINC000072430870 205350952 /nfs/dbraw/zinc/35/09/52/205350952.db2.gz CVPVUBPKXIDNAL-UHFFFAOYSA-N -1 0 397.428 1.555 50 0 GDAARM COc1ccc(C(=O)N2CCC3(CN(CCC(=O)[O-])C(=O)O3)CC2)cc1F ZINC000077376830 205360159 /nfs/dbraw/zinc/36/01/59/205360159.db2.gz LNCZXUNZPRTQDV-UHFFFAOYSA-N -1 0 380.372 1.736 50 0 GDAARM Cc1ccc(F)c(OC2(C(=O)[O-])CCN(C(=O)C[C@@H]3CCC(=O)N3)CC2)c1 ZINC000072425413 205348211 /nfs/dbraw/zinc/34/82/11/205348211.db2.gz OSZAOWYVQFXJNK-ZDUSSCGKSA-N -1 0 378.400 1.627 50 0 GDAARM CCn1nc(C)c(S(=O)(=O)[N-]c2ccc(S(=O)(=O)NC3CC3)cc2)c1C ZINC000078874914 205376507 /nfs/dbraw/zinc/37/65/07/205376507.db2.gz YOIQMXGXGLQEMG-UHFFFAOYSA-N -1 0 398.510 1.761 50 0 GDAARM CC(=O)c1ccc(OCC(=O)N2CCC3(CC2)[C@H](C(=O)[O-])CC(=O)N3C)cc1 ZINC000095365521 205444208 /nfs/dbraw/zinc/44/42/08/205444208.db2.gz YLENJOZGUZTHSZ-INIZCTEOSA-N -1 0 388.420 1.192 50 0 GDAARM O=C([O-])CCN1CCN(Cc2ccc(Cl)s2)[C@H]2CS(=O)(=O)C[C@H]21 ZINC000092028249 205432627 /nfs/dbraw/zinc/43/26/27/205432627.db2.gz ZIKWPHBXSAHFBR-NEPJUHHUSA-N -1 0 378.903 1.159 50 0 GDAARM O=C([O-])[C@]12CCC(=O)N1c1ccccc1-c1nc(=O)c(-c3ccc(F)cc3)nn12 ZINC000095469542 205462811 /nfs/dbraw/zinc/46/28/11/205462811.db2.gz CASVWMIDEZZTEA-HXUWFJFHSA-N -1 0 392.346 1.989 50 0 GDAARM CSc1ccc(CC(=O)N2C[C@H]3CN(C(=O)N(C)C)C[C@@]3(C(=O)[O-])C2)cc1 ZINC000096139487 205530170 /nfs/dbraw/zinc/53/01/70/205530170.db2.gz KBNVZKKPRXABHO-LIRRHRJNSA-N -1 0 391.493 1.478 50 0 GDAARM CC[C@H](C)[C@H](NC(=O)[C@H](C(C)C)n1c(=O)[nH]c2ccccc2c1=O)C(=O)[O-] ZINC000012878410 205880970 /nfs/dbraw/zinc/88/09/70/205880970.db2.gz OGVIIIBTINXGHG-CQDKDKBSSA-N -1 0 375.425 1.502 50 0 biogenic GDAARM C[C@@H]1CN(S(=O)(=O)c2cccc(C(=O)N3CCC[C@H]3C(=O)[O-])c2)C[C@H](C)O1 ZINC000012576769 205918839 /nfs/dbraw/zinc/91/88/39/205918839.db2.gz BREQDUNDGVGGIL-ZENOOKHLSA-N -1 0 396.465 1.174 50 0 GDAARM O=C([O-])c1cccc(-c2nc3c([nH]2)CCN(C(=O)CCCn2cncn2)C3)c1 ZINC000244608560 206129664 /nfs/dbraw/zinc/12/96/64/206129664.db2.gz FERHBYSJEYWQJH-UHFFFAOYSA-N -1 0 380.408 1.732 50 0 GDAARM COC(=O)Cc1nnc([N-]S(=O)(=O)c2cc(C)cc(Br)c2)[nH]1 ZINC000253427758 206147191 /nfs/dbraw/zinc/14/71/91/206147191.db2.gz CGEIHPWFIKQWFL-UHFFFAOYSA-N -1 0 389.231 1.392 50 0 GDAARM CC[C@@H](C)[C@H](NC(=O)CCN1C(=O)[C@@H]2Cc3ccccc3CN2C1=O)C(=O)[O-] ZINC000012888645 221242183 /nfs/dbraw/zinc/24/21/83/221242183.db2.gz XJTSJQPZGPWPLA-PVUWLOKVSA-N -1 0 387.436 1.381 50 0 biogenic GDAARM O=C([O-])c1cc(S(=O)(=O)N2CCN(c3ccccn3)CC2)ccc1Cl ZINC000003331627 132416142 /nfs/dbraw/zinc/41/61/42/132416142.db2.gz AMCPRMNUFDIRCP-UHFFFAOYSA-N -1 0 381.841 1.944 50 0 GDAARM Cc1[nH]c2ccccc2c1CC(=O)N1CCN(c2ncccn2)C[C@H]1C(=O)[O-] ZINC000071715098 136165785 /nfs/dbraw/zinc/16/57/85/136165785.db2.gz HMSPTOPIRUXHCD-KRWDZBQOSA-N -1 0 379.420 1.611 50 0 GDAARM CC(C)N1CCN(S(=O)(=O)c2cc(C(=O)[O-])oc2Br)CC1 ZINC000055313629 222021264 /nfs/dbraw/zinc/02/12/64/222021264.db2.gz KWHZKGWRWNFRGH-UHFFFAOYSA-N -1 0 381.248 1.455 50 0 GDAARM CCc1nn(C)c(=O)c2cc(S(=O)(=O)[N-]c3cc(C)ccc3OC)cn21 ZINC000065247247 222116562 /nfs/dbraw/zinc/11/65/62/222116562.db2.gz AVGHBIJASINQRC-UHFFFAOYSA-N -1 0 376.438 1.713 50 0 GDAARM CCOc1ccc(-c2noc(CCC(=O)N3CCOC[C@H]3C(=O)[O-])n2)cc1 ZINC000262482978 520826805 /nfs/dbraw/zinc/82/68/05/520826805.db2.gz KSNVNWPKTADVQP-AWEZNQCLSA-N -1 0 375.381 1.380 50 0 GDAARM CCOc1ccccc1[C@@H](CC(=O)N1CCO[C@@H](CC(=O)[O-])C1)NC(C)=O ZINC000299751517 521575784 /nfs/dbraw/zinc/57/57/84/521575784.db2.gz QUKTZAZVWOVHKP-GOEBONIOSA-N -1 0 378.425 1.355 50 0 GDAARM Cc1nc2ccccc2c(=O)n1NC(=O)c1c([O-])c2cccc3c2n(c1=O)CC3 ZINC000100663028 570274333 /nfs/dbraw/zinc/27/43/33/570274333.db2.gz SELANVDKVHLJFH-UHFFFAOYSA-N -1 0 388.383 1.665 50 0 GDAARM Cc1ccc2[nH]cc([C@H](C(=O)[O-])N3CCN([C@@H]4CCS(=O)(=O)C4)CC3)c2c1 ZINC000020720084 570276136 /nfs/dbraw/zinc/27/61/36/570276136.db2.gz IUPQENJKGPOOSX-RDTXWAMCSA-N -1 0 391.493 1.407 50 0 GDAARM O=C(Nc1nnc(-c2ccno2)o1)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000012234409 570276311 /nfs/dbraw/zinc/27/63/11/570276311.db2.gz NBPHPYFAFYTWGI-UHFFFAOYSA-N -1 0 389.393 1.761 50 0 GDAARM CCNC(=O)CN1CCN([C@@H](C(=O)[O-])c2c[nH]c3ccc(Cl)cc32)CC1 ZINC000020733056 570277436 /nfs/dbraw/zinc/27/74/36/570277436.db2.gz FHQGSPLOZXCDCE-QGZVFWFLSA-N -1 0 378.860 1.701 50 0 GDAARM COC(=O)c1[n-]n(-c2ccccc2C)c2c(O)n(-c3ccccc3OC)c(=O)c1-2 ZINC000100932757 570279504 /nfs/dbraw/zinc/27/95/04/570279504.db2.gz LCTATXQGCXSOOD-SJLPKXTDSA-N -1 0 393.399 1.911 50 0 GDAARM CCn1nc(C(=O)NN=Cc2ccccc2OCC(=O)[O-])c2ccccc2c1=O ZINC000245283940 570288550 /nfs/dbraw/zinc/28/85/50/570288550.db2.gz PBQHDWSZYRKYEL-UHFFFAOYSA-N -1 0 394.387 1.644 50 0 GDAARM Cn1cc(-c2noc(C[N-]S(=O)(=O)c3ccccc3C(F)(F)F)n2)cn1 ZINC000575414475 570303645 /nfs/dbraw/zinc/30/36/45/570303645.db2.gz KCYMCQMWQZYAGX-UHFFFAOYSA-N -1 0 387.343 1.967 50 0 GDAARM Cc1nn2c([n-]1)ncc(C(=O)N[C@@H]1CC[C@H](C(=O)N3CCCCCC3)C1)c2=O ZINC000102148563 570328526 /nfs/dbraw/zinc/32/85/26/570328526.db2.gz ZBUAWFVDOMUDHR-UONOGXRCSA-N -1 0 386.456 1.027 50 0 GDAARM COc1cc(-c2nnc(CCC(=O)NCC(C)C)c(=O)[n-]2)cc(OC)c1OC ZINC000034767952 570333477 /nfs/dbraw/zinc/33/34/77/570333477.db2.gz XPSGYDNHSAWSGA-UHFFFAOYSA-N -1 0 390.440 1.975 50 0 GDAARM Cc1nn(C)c(C)c1CCNS(=O)(=O)c1cc(C(=O)[O-])cc2c1CCC2 ZINC000237702116 570390720 /nfs/dbraw/zinc/39/07/20/570390720.db2.gz UGHIINJRWOBCGC-UHFFFAOYSA-N -1 0 377.466 1.745 50 0 GDAARM C[C@@H]1c2cc(S(=O)(=O)[N-]c3ccccc3C(N)=O)cc3c2N(CCC3)C1=O ZINC000005154011 570429307 /nfs/dbraw/zinc/42/93/07/570429307.db2.gz FLBSXIGPZIMZPT-LLVKDONJSA-N -1 0 385.445 1.983 50 0 GDAARM CCOc1ccccc1N1C[C@@H](C(=O)N2CCO[C@H](CC(=O)[O-])C2)CC1=O ZINC000268939802 570480117 /nfs/dbraw/zinc/48/01/17/570480117.db2.gz DPCJONSOEUWHQS-UONOGXRCSA-N -1 0 376.409 1.140 50 0 GDAARM O=C([O-])C[C@@H]1CN(C(=O)CCCOc2ccc3c(c2)CCC(=O)N3)CCO1 ZINC000269040373 570510315 /nfs/dbraw/zinc/51/03/15/570510315.db2.gz QMMLHKGYYXYSIQ-OAHLLOKOSA-N -1 0 376.409 1.432 50 0 GDAARM CCOC(=O)c1c(C)c(C(N)=O)sc1NC(=O)[C@@H]1CC=CC[C@H]1C(=O)[O-] ZINC000002742374 570510850 /nfs/dbraw/zinc/51/08/50/570510850.db2.gz YDGMDIBBMZLSRL-NXEZZACHSA-N -1 0 380.422 1.938 50 0 GDAARM O=C(CCn1c(=O)c2cc3c(cc2[n-]c1=S)OCO3)NCc1ccccn1 ZINC000002975356 570524996 /nfs/dbraw/zinc/52/49/96/570524996.db2.gz ZGCAHQJZOHDNMV-UHFFFAOYSA-N -1 0 384.417 1.889 50 0 GDAARM Cc1c2c(cc(=O)n1N1CCOCC1)[n-]n(-c1nc3ccccc3s1)c2=O ZINC000012390319 570642542 /nfs/dbraw/zinc/64/25/42/570642542.db2.gz XEJKUJYKOBJXDY-UHFFFAOYSA-N -1 0 383.433 1.731 50 0 GDAARM Cn1c(=O)c2c(SCC(=O)[O-])nc(-c3cccc(Cl)c3)nc2n(C)c1=O ZINC000004341339 570676076 /nfs/dbraw/zinc/67/60/76/570676076.db2.gz WNCPWGPYGGSDHL-UHFFFAOYSA-N -1 0 392.824 1.524 50 0 GDAARM Cc1cc(C(F)(F)F)nc(N2CCN(C(=O)c3nn(C)cc3C(=O)[O-])CC2)n1 ZINC000013645041 570765864 /nfs/dbraw/zinc/76/58/64/570765864.db2.gz JIYXFPFQYLLOMC-UHFFFAOYSA-N -1 0 398.345 1.198 50 0 GDAARM O=C([O-])CCCCCNC(=O)NCc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1 ZINC000013729561 570782703 /nfs/dbraw/zinc/78/27/03/570782703.db2.gz NVHYUCNEVLEWFB-UHFFFAOYSA-N -1 0 398.423 1.553 50 0 GDAARM COc1ccc2c(c1OC)C(=O)O[C@H]2c1c([O-])[nH]c(=O)n(-c2ccccc2)c1=O ZINC000005880406 570800464 /nfs/dbraw/zinc/80/04/64/570800464.db2.gz GHNYWOQKGLYBDI-OAHLLOKOSA-N -1 0 396.355 1.508 50 0 biogenic GDAARM COc1ccc(CNC(=O)CC[C@@H](C(=O)[O-])N2C(=O)c3ccccc3C2=O)cc1 ZINC000005917179 570804027 /nfs/dbraw/zinc/80/40/27/570804027.db2.gz FFMYUESVMAIZOE-KRWDZBQOSA-N -1 0 396.399 1.841 50 0 GDAARM COc1ccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4ccc(F)cc4)c(=O)c2=3)cc1 ZINC000101388021 570821433 /nfs/dbraw/zinc/82/14/33/570821433.db2.gz SFJBDGPBGYVWCB-DLBZAZTESA-N -1 0 397.366 1.766 50 0 GDAARM O=c1c(CN2CCOCC2)coc([O-])c1CN1CCO[C@H](c2ccccc2)C1 ZINC000101374935 570821436 /nfs/dbraw/zinc/82/14/36/570821436.db2.gz RREGBMLWHVXIEC-IBGZPJMESA-N -1 0 386.448 1.751 50 0 GDAARM Cc1cccc(C[C@H](CNC(=O)[C@H]2CS[C@]3(C)CCC(=O)N23)C(=O)[O-])c1 ZINC000299750183 570827806 /nfs/dbraw/zinc/82/78/06/570827806.db2.gz MSGQKLNEHCCUPY-SPYBWZPUSA-N -1 0 376.478 1.809 50 0 GDAARM COc1ccccc1-n1c(=O)c2[n-][nH]n(CC(=O)Nc3ccccc3)c=2c1=O ZINC000102000379 570840295 /nfs/dbraw/zinc/84/02/95/570840295.db2.gz ZPDHTCZBSHZCJG-IAGOWNOFSA-N -1 0 379.376 1.627 50 0 GDAARM O=S(=O)([N-]c1ccncc1)c1cccc(S(=O)(=O)NCc2ccco2)c1 ZINC000170600982 570858563 /nfs/dbraw/zinc/85/85/63/570858563.db2.gz SIWFWVXXPJZTGP-UHFFFAOYSA-N -1 0 393.446 1.954 50 0 GDAARM COCCCn1c(C)cc(C(=O)N2CCc3nc4cc[n-]n4c(=O)c3C2)c1C ZINC000102991117 570873505 /nfs/dbraw/zinc/87/35/05/570873505.db2.gz PHJVPJGZGSWHFE-UHFFFAOYSA-N -1 0 383.452 1.676 50 0 GDAARM COc1cc2ncn(CC(=O)N[C@@H](CC(C)C)C(=O)[O-])c(=O)c2cc1OC ZINC000032124078 570962890 /nfs/dbraw/zinc/96/28/90/570962890.db2.gz CBLKUTVNLTWRJE-ZDUSSCGKSA-N -1 0 377.397 1.029 50 0 biogenic GDAARM Cc1cccc(-n2c(=S)[n-]c(=O)c3c2NCN(CCN2CCOCC2)C3)n1 ZINC000019359619 570979743 /nfs/dbraw/zinc/97/97/43/570979743.db2.gz CYWJCXLFGKZLBN-UHFFFAOYSA-N -1 0 388.497 1.116 50 0 GDAARM Cc1c(CC(=O)NCc2n[nH]c(=O)[n-]2)c2c(n1Cc1ccccc1)CCCC2=O ZINC000095530064 571092773 /nfs/dbraw/zinc/09/27/73/571092773.db2.gz XNCJJRVBKYEDBF-UHFFFAOYSA-N -1 0 393.447 1.634 50 0 GDAARM O=C([O-])[C@@H]1CN(C(=O)/C(=C\c2ccco2)n2nnnc2-c2ccccc2)CCO1 ZINC000584908065 599942264 /nfs/dbraw/zinc/94/22/64/599942264.db2.gz VMCRBQMAZYRWPC-SFKKXYGYSA-N -1 0 395.375 1.243 50 0 GDAARM O=C([O-])[C@@H]1CN(C(=O)/C=C/c2cc(Br)c3c(c2)OCCO3)CCO1 ZINC000328592985 645271475 /nfs/dbraw/zinc/27/14/75/645271475.db2.gz USXHSNSOGUVNHG-AORQRIRUSA-N -1 0 398.209 1.546 50 0 GDAARM Cc1ccc(Br)cc1C(=O)N1CCS(=O)(=O)C[C@H]1C(=O)[O-] ZINC000643432100 653582544 /nfs/dbraw/zinc/58/25/44/653582544.db2.gz GXHZYJOXGWOGMB-NSHDSACASA-N -1 0 376.228 1.081 50 0 GDAARM O=C([O-])[C@H]1CCCCN1S(=O)(=O)c1ccc(OC[C@@H]2CCOC2)c(F)c1 ZINC000262422482 961709115 /nfs/dbraw/zinc/70/91/15/961709115.db2.gz NIBVXJYXBDFFIW-IUODEOHRSA-N -1 0 387.429 1.869 50 0 GDAARM COc1ccc(S(=O)(=O)[N-]c2cc(C)nn2[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000011795972 530554898 /nfs/dbraw/zinc/55/48/98/530554898.db2.gz UXRVGWCUZYMJCA-GFCCVEGCSA-N -1 0 385.467 1.361 50 0 GDAARM COc1c2c(c(Br)c(C[C@@H]3CC(C(=O)[O-])=NO3)c1OC)OCO2 ZINC000015083010 530561487 /nfs/dbraw/zinc/56/14/87/530561487.db2.gz DWHDLXILBPXSJK-ZCFIWIBFSA-N -1 0 388.170 1.967 50 0 GDAARM Cc1nc2sc([C@H](c3cccs3)N3CCN(CCO)CC3)c([O-])n2n1 ZINC000022459084 530572790 /nfs/dbraw/zinc/57/27/90/530572790.db2.gz NITYWGQBNNQLBA-ZDUSSCGKSA-N -1 0 379.511 1.566 50 0 GDAARM CCn1nc(-c2csc(S(=O)(=O)[N-]c3cccc(C)n3)c2)ccc1=O ZINC000065128994 530753703 /nfs/dbraw/zinc/75/37/03/530753703.db2.gz AWXWMXHCTIRVNA-UHFFFAOYSA-N -1 0 376.463 2.496 50 0 GDAARM O=C([O-])CN1CCN(S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC1 ZINC000238160210 531055590 /nfs/dbraw/zinc/05/55/90/531055590.db2.gz RPJMUMDKUOEKQG-UHFFFAOYSA-N -1 0 386.779 1.750 50 0 GDAARM CS(=O)(=O)c1ccc(Br)c(C(=O)N2CC[C@@H](C(=O)[O-])C2)c1 ZINC000269202097 531623816 /nfs/dbraw/zinc/62/38/16/531623816.db2.gz RUFRYTVBZYPBKD-MRVPVSSYSA-N -1 0 376.228 1.399 50 0 GDAARM CC[C@H](C)[C@@H](NC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1)C(=O)[O-] ZINC000009864012 203901569 /nfs/dbraw/zinc/90/15/69/203901569.db2.gz MOXMOWAEKUTYMO-XJKSGUPXSA-N -1 0 382.482 1.703 50 0 GDAARM Nc1nonc1-n1nnc(C(=O)[O-])c1CSc1nc2ccccc2s1 ZINC000003666741 204018058 /nfs/dbraw/zinc/01/80/58/204018058.db2.gz RFUFPWGFJXLLEF-UHFFFAOYSA-N -1 0 375.395 1.833 50 0 GDAARM COC(=O)c1[n-]n(-c2cccc(C)c2)c2c(O)n(-c3ccccc3OC)c(=O)c1-2 ZINC000004281907 204035500 /nfs/dbraw/zinc/03/55/00/204035500.db2.gz ACEPQLXHSXYKNL-AEFFLSMTSA-N -1 0 393.399 1.911 50 0 GDAARM COC(=O)c1[n-][nH]c2c(O)n(-c3c(Cl)cc(Cl)cc3Cl)c(=O)c1-2 ZINC000005253611 204122188 /nfs/dbraw/zinc/12/21/88/204122188.db2.gz YMTZFPCARJXLBU-HTQZYQBOSA-N -1 0 376.583 1.637 50 0 GDAARM COc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4ccccc4F)c=3c2=O)cc1 ZINC000006770121 204203876 /nfs/dbraw/zinc/20/38/76/204203876.db2.gz WLOOFXUGHHELPQ-IAGOWNOFSA-N -1 0 397.366 1.766 50 0 GDAARM CCn1cc(NC(=O)[C@H]2C3CCC(CC3)[C@H]2C(=O)[O-])c(C(=O)NCCOC)n1 ZINC000006490194 204180418 /nfs/dbraw/zinc/18/04/18/204180418.db2.gz YNKDNGDVHLNPGR-CXTZMWEQSA-N -1 0 392.456 1.355 50 0 GDAARM CCOC(=O)c1cc2c(nn3cc(C(=O)c4ccccc4[O-])cnc23)[nH]c1=O ZINC000006585749 204184560 /nfs/dbraw/zinc/18/45/60/204184560.db2.gz ROUNEYGAAGQCDK-UHFFFAOYSA-N -1 0 378.344 1.684 50 0 GDAARM COc1ccc(CN2CCN(C(=O)CCCC(=O)[O-])CC2)c(OC)c1OC ZINC000012243757 204387146 /nfs/dbraw/zinc/38/71/46/204387146.db2.gz OXCOLXOEMSJAAK-UHFFFAOYSA-N -1 0 380.441 1.612 50 0 GDAARM O=C([O-])CN1C(=O)[C@@H]2CCCCN2c2ccc(S(=O)(=O)N3CCCC3)cc21 ZINC000015774384 204575527 /nfs/dbraw/zinc/57/55/27/204575527.db2.gz QFRYEJSUEHAPPO-HNNXBMFYSA-N -1 0 393.465 1.261 50 0 GDAARM CC[C@@H](C)c1ccc(S(=O)(=O)N2CCN(C(=O)CCC(=O)[O-])CC2)cc1 ZINC000017078098 204606597 /nfs/dbraw/zinc/60/65/97/204606597.db2.gz KAKBIKNDAXEOTC-CQSZACIVSA-N -1 0 382.482 1.898 50 0 GDAARM COc1cccc([C@@H](c2sc3ncnn3c2[O-])N2CCOCC2)c1OC ZINC000041633726 205080410 /nfs/dbraw/zinc/08/04/10/205080410.db2.gz CBABRXJUXHONKL-ZDUSSCGKSA-N -1 0 376.438 1.935 50 0 GDAARM O=C([O-])C[C@@H](NC(=O)CN1CSCC1=O)c1ccc(Br)cc1 ZINC000299741494 205097364 /nfs/dbraw/zinc/09/73/64/205097364.db2.gz FHGDZZSDBVDNAE-LLVKDONJSA-N -1 0 387.255 1.614 50 0 GDAARM O=C(c1ccccc1[N-]S(=O)(=O)c1cccc(-n2cnnn2)c1)N1CCCC1 ZINC000048287699 205117936 /nfs/dbraw/zinc/11/79/36/205117936.db2.gz PFFMCWDNMSXRJL-UHFFFAOYSA-N -1 0 398.448 1.699 50 0 GDAARM COc1cccc(-c2ccc(=O)n(CC(=O)NCc3ccc(C(=O)[O-])cc3)n2)c1 ZINC000049543866 205127860 /nfs/dbraw/zinc/12/78/60/205127860.db2.gz ZITRKIDKBMNJQR-UHFFFAOYSA-N -1 0 393.399 1.934 50 0 GDAARM Cc1cc(C(=O)N2CCO[C@H](C(=O)[O-])C2)c(C)n1-c1ccc2c(c1)OCCO2 ZINC000299748662 205100879 /nfs/dbraw/zinc/10/08/79/205100879.db2.gz HVFIVTRVOGBFIG-SFHVURJKSA-N -1 0 386.404 1.791 50 0 GDAARM O=C([O-])[C@H]1CCCCN1C(=O)c1ccc2c(c1)S(=O)(=O)N(C1CC1)C2=O ZINC000299749937 205103378 /nfs/dbraw/zinc/10/33/78/205103378.db2.gz MDRFRULFTBJVBZ-CYBMUJFWSA-N -1 0 378.406 1.073 50 0 GDAARM CSc1ccc(-c2ccc(=O)n(CC(=O)N[C@H](C(=O)[O-])C(C)C)n2)cc1 ZINC000061720758 205183641 /nfs/dbraw/zinc/18/36/41/205183641.db2.gz XSXPLPSBEQBRKU-KRWDZBQOSA-N -1 0 375.450 1.858 50 0 GDAARM CCN(CC[NH+](C)C)c1ncc(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccccc1 ZINC000064472388 205190076 /nfs/dbraw/zinc/19/00/76/205190076.db2.gz SGZZWECFZLSKNQ-UHFFFAOYSA-N -1 0 392.481 1.969 50 0 GDAARM CCn1nc(C(=O)[O-])c2c1CCN(C(=O)[C@H](c1cccnc1)N1CCCC1)C2 ZINC000067675040 205254306 /nfs/dbraw/zinc/25/43/06/205254306.db2.gz RDOFXMQRZMGITM-SFHVURJKSA-N -1 0 383.452 1.718 50 0 GDAARM CN1CCN(S(=O)(=O)c2cc(C(=O)[O-])cc(-c3ccccc3CO)c2)CC1 ZINC000071415560 205283184 /nfs/dbraw/zinc/28/31/84/205283184.db2.gz DSTIJTZCFLCMMW-UHFFFAOYSA-N -1 0 390.461 1.480 50 0 GDAARM CC(C)NS(=O)(=O)c1cc(C(=O)[O-])cc(-n2ccc(-c3cnccn3)n2)c1 ZINC000071736513 205287591 /nfs/dbraw/zinc/28/75/91/205287591.db2.gz DIDSVDHHZPGRSX-UHFFFAOYSA-N -1 0 387.421 1.714 50 0 GDAARM COCCNS(=O)(=O)c1cc(C(=O)[O-])cc(-n2ncc3cccnc32)c1 ZINC000071753803 205291867 /nfs/dbraw/zinc/29/18/67/205291867.db2.gz MRRSGVJKBUKWAY-UHFFFAOYSA-N -1 0 376.394 1.043 50 0 GDAARM CC1(C)[C@@H](C(=O)[O-])[C@@H]1C(=O)NCc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1 ZINC000071282518 205279820 /nfs/dbraw/zinc/27/98/20/205279820.db2.gz CAIOUPOSQXJJBO-ZIAGYGMSSA-N -1 0 381.392 1.082 50 0 GDAARM O=C([O-])CCc1cc2n(n1)CCCN(Cc1cnc(N3CCOCC3)s1)C2 ZINC000072454635 205353329 /nfs/dbraw/zinc/35/33/29/205353329.db2.gz TTYYLKDVCNOSPI-UHFFFAOYSA-N -1 0 391.497 1.599 50 0 GDAARM Nc1ccsc1C(=O)N1CC2(C[C@@H]1C(=O)[O-])CCN(C(=O)C1CC1)CC2 ZINC000072447782 205353429 /nfs/dbraw/zinc/35/34/29/205353429.db2.gz OSXXRLDFIJZMMO-CYBMUJFWSA-N -1 0 377.466 1.648 50 0 GDAARM CC[C@@H](C(=O)N1CCC2(CN(CCCC(=O)[O-])C(=O)O2)CC1)n1cccn1 ZINC000077391014 205360457 /nfs/dbraw/zinc/36/04/57/205360457.db2.gz SYQIZPITPXOQCF-AWEZNQCLSA-N -1 0 378.429 1.512 50 0 GDAARM O=C([O-])[C@H](Cc1nnnn1Cc1ccccc1)NC(=O)OCc1ccccc1 ZINC000091689973 205423244 /nfs/dbraw/zinc/42/32/44/205423244.db2.gz WEDOFQOTRSVDJZ-INIZCTEOSA-N -1 0 381.392 1.644 50 0 GDAARM Cc1cc2cc(C(=O)N3C[C@H]4CN(C(=O)N(C)C)C[C@@]4(C(=O)[O-])C3)ccc2o1 ZINC000097155940 205586328 /nfs/dbraw/zinc/58/63/28/205586328.db2.gz FCNSZRFJNRWSCE-YWZLYKJASA-N -1 0 385.420 1.881 50 0 GDAARM O=C(Cn1[nH][n-]c2c(=O)n(-c3ccc(F)c(F)c3)c(=O)c1=2)Nc1ccccc1 ZINC000101388762 205621163 /nfs/dbraw/zinc/62/11/63/205621163.db2.gz ROLSDRVKIWUKMX-JKSUJKDBSA-N -1 0 385.330 1.897 50 0 GDAARM O=C([O-])C1(NC(=O)[C@@H]2CCN(c3ccccc3Br)C2=O)CCC1 ZINC000237947466 205684999 /nfs/dbraw/zinc/68/49/99/205684999.db2.gz WJSCUMJIHXXXOQ-JTQLQIEISA-N -1 0 381.226 1.926 50 0 GDAARM O=C([O-])CN(C(=O)[C@@H]1CCN(c2ccccc2Br)C1=O)C1CC1 ZINC000238080109 205687766 /nfs/dbraw/zinc/68/77/66/205687766.db2.gz IEULOHXSERDLHB-LLVKDONJSA-N -1 0 381.226 1.878 50 0 GDAARM COCCN1C(=O)[C@H]2CC[C@@H]1CN(C(=O)c1cc(OC)cc(C(=O)[O-])c1)C2 ZINC000097307551 570241023 /nfs/dbraw/zinc/24/10/23/570241023.db2.gz GEIABQXBIRIFIG-SWLSCSKDSA-N -1 0 376.409 1.103 50 0 GDAARM Cn1cc(SCC(=O)N2CCc3c([n-]n(CCO)c3=O)C2)c2ccccc21 ZINC000215558105 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O=C([O-])c1nn(CC2CC2)c2c1CN(C(=O)[C@H]1COc3ccccc3O1)CC2 ZINC000067489775 205249414 /nfs/dbraw/zinc/24/94/14/205249414.db2.gz XBXGRQXOHKNXBN-QGZVFWFLSA-N -1 0 383.404 1.716 50 0 GDAARM O=C([O-])c1ccc(-c2noc(CN3CCN(C(=O)[C@H]4CCCO4)CC3)n2)cc1 ZINC000067758716 205258102 /nfs/dbraw/zinc/25/81/02/205258102.db2.gz AGFHVJHBQWRVIT-OAHLLOKOSA-N -1 0 386.408 1.258 50 0 GDAARM O=C([O-])c1nn(CC2CC2)c2c1CN(C(=O)c1ccc3[nH]c(=O)[nH]c3c1)CC2 ZINC000067955200 205268937 /nfs/dbraw/zinc/26/89/37/205268937.db2.gz DJNBBIJQOPEYPZ-UHFFFAOYSA-N -1 0 381.392 1.359 50 0 GDAARM COc1cc(F)ccc1-c1ccc(=O)n(CC(=O)N[C@@H](C(=O)[O-])C(C)C)n1 ZINC000071334573 205281867 /nfs/dbraw/zinc/28/18/67/205281867.db2.gz PDZFYODJBYSOKQ-QGZVFWFLSA-N -1 0 377.372 1.283 50 0 GDAARM CN(C)C(=O)c1ccc2c(c1)N(C)[C@H](CC(=O)NCC(C)(C)C(=O)[O-])CO2 ZINC000071422189 205283800 /nfs/dbraw/zinc/28/38/00/205283800.db2.gz XEDHVCAMMYTGRH-CYBMUJFWSA-N -1 0 377.441 1.203 50 0 GDAARM CN(C)C(=O)c1ccc2c(c1)N(C)[C@@H](CC(=O)NCCCCC(=O)[O-])CO2 ZINC000071575682 205285417 /nfs/dbraw/zinc/28/54/17/205285417.db2.gz AOQVTENNTBBERU-AWEZNQCLSA-N -1 0 377.441 1.347 50 0 GDAARM CC(=O)c1ccc(S(=O)(=O)[N-]C(=O)CNC(=O)CCC2CCCC2)cc1 ZINC000072313370 205324477 /nfs/dbraw/zinc/32/44/77/205324477.db2.gz JVOWZXBUJMITRZ-UHFFFAOYSA-N -1 0 380.466 1.781 50 0 GDAARM C[C@H](NC(=O)c1cn(Cc2ccccc2C(F)(F)F)nn1)c1n[nH]c(=O)[n-]1 ZINC000072129423 205306478 /nfs/dbraw/zinc/30/64/78/205306478.db2.gz OZHVSJCOXLOFHM-QMMMGPOBSA-N -1 0 381.318 1.248 50 0 GDAARM O=C([O-])c1cc(S(=O)(=O)N2CCN(C3CC3)CC2)c(Br)s1 ZINC000037838970 205668298 /nfs/dbraw/zinc/66/82/98/205668298.db2.gz XVDWLHIETLRSKE-UHFFFAOYSA-N -1 0 395.300 1.678 50 0 GDAARM CCC[C@@H](NC(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1)C(=O)[O-] ZINC000225486590 206051235 /nfs/dbraw/zinc/05/12/35/206051235.db2.gz UZGUTKPTLFJCBE-CQSZACIVSA-N -1 0 385.442 1.082 50 0 GDAARM Cn1cnc(S(=O)(=O)[N-]c2ccc(CC(=O)NCC(F)(F)F)cc2)c1 ZINC000096025901 206114400 /nfs/dbraw/zinc/11/44/00/206114400.db2.gz PONVJHUHFYQXQV-UHFFFAOYSA-N -1 0 376.360 1.442 50 0 GDAARM COC(=O)C[C@H](c1ccc(C(=O)OC)cc1)c1c([O-])nc2ccccn2c1=O ZINC000096115969 206117865 /nfs/dbraw/zinc/11/78/65/206117865.db2.gz ALROSQXCTBMLPZ-CQSZACIVSA-N -1 0 382.372 1.882 50 0 biogenic GDAARM Cc1noc(C)c1CNc1ncc(C(C)(C)C(=O)[O-])c(N2CCOCC2)n1 ZINC000096130389 136183949 /nfs/dbraw/zinc/18/39/49/136183949.db2.gz MANFKWUZSZTSQI-UHFFFAOYSA-N -1 0 375.429 1.892 50 0 GDAARM COc1cccc(-c2ccc(=O)n(CC(=O)N[C@H](CCSC)C(=O)[O-])n2)c1 ZINC000071328789 222181930 /nfs/dbraw/zinc/18/19/30/222181930.db2.gz XZFNTNQZSOKFMS-OAHLLOKOSA-N -1 0 391.449 1.241 50 0 GDAARM O=C(NCCn1nc(-c2ccccc2)ccc1=O)c1[n-]c(=O)nc2ccccc21 ZINC000426383142 534523690 /nfs/dbraw/zinc/52/36/90/534523690.db2.gz OIAQULLRAFPDJL-UHFFFAOYSA-N -1 0 387.399 1.989 50 0 GDAARM CC(C)[C@H](NC(=O)N1CC(=O)Nc2ccccc21)C(=O)N1CCC[C@H]1C(=O)[O-] ZINC000004090650 535091181 /nfs/dbraw/zinc/09/11/81/535091181.db2.gz KXLLMZMKIMFEFF-HOCLYGCPSA-N -1 0 388.424 1.255 50 0 biogenic GDAARM O=C([O-])[C@@H](Cc1ccccc1)NC(=O)Cn1cc(-c2ccccc2)ncc1=O ZINC000218296435 570330512 /nfs/dbraw/zinc/33/05/12/570330512.db2.gz JEGQPCVOPGGELT-QGZVFWFLSA-N -1 0 377.400 1.722 50 0 GDAARM CCOc1ccc(-c2nnc(CCC(=O)NCCOC)c(=O)[n-]2)cc1OC ZINC000034766332 570333663 /nfs/dbraw/zinc/33/36/63/570333663.db2.gz HVJQNVDGLSBORA-UHFFFAOYSA-N -1 0 376.413 1.347 50 0 GDAARM NS(=O)(=O)c1ccc(CCNC(=O)[C@H]2C3CCC(CC3)[C@H]2C(=O)[O-])cc1 ZINC000006829062 570407494 /nfs/dbraw/zinc/40/74/94/570407494.db2.gz OAAHQMASKVEKEL-FPCDFSMTSA-N -1 0 380.466 1.130 50 0 GDAARM O=C([O-])[C@H]1CCN(C(=O)[C@H]2CC(=O)N(Cc3cccc(C(F)(F)F)c3)C2)C1 ZINC000238091400 570424177 /nfs/dbraw/zinc/42/41/77/570424177.db2.gz HIFBAGNYUKHMMO-STQMWFEESA-N -1 0 384.354 1.987 50 0 GDAARM Cc1nn(C)cc1CCC(=O)Nc1ccc(F)c(S(=O)(=O)NC2CC2)c1 ZINC000133082784 570467641 /nfs/dbraw/zinc/46/76/41/570467641.db2.gz HENPNEFZYQYQNH-UHFFFAOYSA-N -1 0 380.445 1.880 50 0 GDAARM CC(C)(C)C(=O)OCO[P@](=O)([O-])COCCn1cnc2c1ncnc2N ZINC000029544542 570476398 /nfs/dbraw/zinc/47/63/98/570476398.db2.gz MYHVYLHIHRHSDC-UHFFFAOYSA-N -1 0 387.333 1.131 50 0 in-vitro GDAARM O=C([O-])[C@H]1Cc2ccccc2CN1C(=O)CCN1C(=O)COc2ccccc21 ZINC000268941695 570482477 /nfs/dbraw/zinc/48/24/77/570482477.db2.gz JXGIYTBVAQACAN-QGZVFWFLSA-N -1 0 380.400 1.840 50 0 GDAARM CC(C)C[C@H](NC(=O)N1CCn2c3ccccc3nc21)C(=O)N[C@H](C)C(=O)[O-] ZINC000006624036 570508239 /nfs/dbraw/zinc/50/82/39/570508239.db2.gz IQPOLIMRHAPQLR-OCCSQVGLSA-N -1 0 387.440 1.570 50 0 biogenic GDAARM CC[C@H](C)[C@H](NC(=O)N1CCn2c3ccccc3nc21)C(=O)N[C@@H](C)C(=O)[O-] ZINC000006624014 570508368 /nfs/dbraw/zinc/50/83/68/570508368.db2.gz UYKWAWINNHQVMM-HUBLWGQQSA-N -1 0 387.440 1.570 50 0 biogenic GDAARM O=C([O-])C[C@@H]1CN(C(=O)[C@@H]2CCCN2c2ncnc3sccc32)CCO1 ZINC000269043854 570510973 /nfs/dbraw/zinc/51/09/73/570510973.db2.gz RXRIXRIKKYHWNJ-YPMHNXCESA-N -1 0 376.438 1.362 50 0 GDAARM COc1cc2ncn(CCCC(=O)N3CC[C@H](C(=O)[O-])C3)c(=O)c2cc1OC ZINC000269183074 570546805 /nfs/dbraw/zinc/54/68/05/570546805.db2.gz LUHLJSVIEDMJBJ-LBPRGKRZSA-N -1 0 389.408 1.127 50 0 GDAARM CC[C@H](C(=O)N1CCO[C@@H](C(=O)[O-])C1)n1nnc(-c2ccc(Cl)cc2)n1 ZINC000262369026 570666920 /nfs/dbraw/zinc/66/69/20/570666920.db2.gz FSZDKDLHUFMFLP-CHWSQXEVSA-N -1 0 379.804 1.257 50 0 GDAARM Cc1nn(-c2ccc(C(=O)N[C@H]3CCCNC3=O)cc2)c(C)c1CCC(=O)[O-] ZINC000262390384 570668315 /nfs/dbraw/zinc/66/83/15/570668315.db2.gz AGNWKBRZUZWBNI-KRWDZBQOSA-N -1 0 384.436 1.515 50 0 GDAARM COc1ccc(-c2noc(CCCC(=O)N3CCO[C@@H](C(=O)[O-])C3)n2)cc1 ZINC000262902352 570699706 /nfs/dbraw/zinc/69/97/06/570699706.db2.gz BPOCUCJMTGMQLA-CQSZACIVSA-N -1 0 375.381 1.380 50 0 GDAARM CCOc1ccc(-c2noc(CCC(=O)N3CCO[C@@H](C(=O)[O-])C3)n2)cc1 ZINC000263034065 570702456 /nfs/dbraw/zinc/70/24/56/570702456.db2.gz UWXCQOGJOBRDPW-CQSZACIVSA-N -1 0 375.381 1.380 50 0 GDAARM Cn1ccnc1[C@@H](NS(=O)(=O)c1ccc(O)c(C(=O)[O-])c1)c1ccccc1 ZINC000013268692 570752142 /nfs/dbraw/zinc/75/21/42/570752142.db2.gz FJEHVTWXUIBHNU-INIZCTEOSA-N -1 0 387.417 1.892 50 0 GDAARM CS(=O)(=O)N1CCCc2cc(C(=O)NC3(C(=O)[O-])CCCCC3)ccc21 ZINC000013426236 570754873 /nfs/dbraw/zinc/75/48/73/570754873.db2.gz HFIJHXVZVYBOJE-UHFFFAOYSA-N -1 0 380.466 1.916 50 0 GDAARM O=C([O-])c1csc(CNC(=O)[C@H]2CCN(c3cc(F)cc(F)c3)C2=O)n1 ZINC000372021816 570766354 /nfs/dbraw/zinc/76/63/54/570766354.db2.gz MPLOMHZUPJWJCE-LLVKDONJSA-N -1 0 381.360 1.789 50 0 GDAARM CCC(=O)N1N=C(c2c(=O)[nH]c(=O)n(C)c2[O-])C[C@H]1c1ccc(Cl)cc1 ZINC000101766189 570830549 /nfs/dbraw/zinc/83/05/49/570830549.db2.gz MLKFLRLOOINATL-LBPRGKRZSA-N -1 0 376.800 1.520 50 0 GDAARM CCOC(=O)CCc1c(C)nc2[n-]c(CNc3ccccc3OC)nn2c1=O ZINC000101803176 570835429 /nfs/dbraw/zinc/83/54/29/570835429.db2.gz XQPYQTPGTJYMMO-UHFFFAOYSA-N -1 0 385.424 1.842 50 0 GDAARM CCOC(=O)N1CCN(C(=O)CCn2c(=O)c3sccc3[n-]c2=S)CC1 ZINC000101856867 570837559 /nfs/dbraw/zinc/83/75/59/570837559.db2.gz YMURCICVVSMHKR-UHFFFAOYSA-N -1 0 396.494 1.811 50 0 GDAARM COc1ccc2c(C)c(CC(=O)N[C@@H](CSC)C(=O)[O-])c(=O)oc2c1C ZINC000002120917 570955997 /nfs/dbraw/zinc/95/59/97/570955997.db2.gz VJWRXXXAAVYABE-ZDUSSCGKSA-N -1 0 379.434 1.893 50 0 biogenic GDAARM COc1ccc(C(=O)N2CCC3(CC2)[C@@H](C(=O)[O-])CC(=O)N3C)c(F)c1F ZINC000095382874 571068608 /nfs/dbraw/zinc/06/86/08/571068608.db2.gz RLUHIUJNMHCIOM-LLVKDONJSA-N -1 0 382.363 1.511 50 0 GDAARM O=C([O-])c1ccc(N2C(=O)C[C@H](N3CCN(Cc4ccccc4)CC3)C2=O)cc1 ZINC000095483235 571074058 /nfs/dbraw/zinc/07/40/58/571074058.db2.gz HGIUMNLWPVVVNM-IBGZPJMESA-N -1 0 393.443 1.835 50 0 GDAARM O=C([O-])[C@@H]1CN(C(=O)/C(=C/c2ccco2)n2nnnc2-c2ccccc2)CCO1 ZINC000583650633 599942058 /nfs/dbraw/zinc/94/20/58/599942058.db2.gz VMCRBQMAZYRWPC-QZFKAFNDSA-N -1 0 395.375 1.243 50 0 GDAARM C[C@@]1(C(=O)[O-])CCN(C(=O)c2cc(S(C)(=O)=O)ccc2Br)C1 ZINC000328593061 602031700 /nfs/dbraw/zinc/03/17/00/602031700.db2.gz OSTBGJQARUGZPT-CQSZACIVSA-N -1 0 390.255 1.789 50 0 GDAARM CS(=O)(=O)c1cccc(OCC(=O)N[C@@H](C(=O)[O-])c2ccc(F)cc2F)c1 ZINC000095464019 939032008 /nfs/dbraw/zinc/03/20/08/939032008.db2.gz SYTFMTMJJLCHSZ-MRXNPFEDSA-N -1 0 399.371 1.689 50 0 GDAARM Cc1cc([N-]S(=O)(=O)c2ccc(F)cc2C)n([C@H]2CCS(=O)(=O)C2)n1 ZINC000011795983 530555244 /nfs/dbraw/zinc/55/52/44/530555244.db2.gz NFGZSIOCMOXNNH-ZDUSSCGKSA-N -1 0 387.458 1.799 50 0 GDAARM COC(=O)COc1c(Br)cc(/C=C2\NC(=O)[N-]C2=O)cc1OC ZINC000034793428 530612595 /nfs/dbraw/zinc/61/25/95/530612595.db2.gz LGVBEPUXYVSUNB-WTKPLQERSA-N -1 0 385.170 1.190 50 0 GDAARM CCn1nc(-c2csc(S(=O)(=O)[N-]c3cc(C)ccn3)c2)ccc1=O ZINC000065129041 530753391 /nfs/dbraw/zinc/75/33/91/530753391.db2.gz STNSJOCZBAAMSK-UHFFFAOYSA-N -1 0 376.463 2.496 50 0 GDAARM Cc1nnc([C@H](C)[N-]S(=O)(=O)c2cc(S(C)(=O)=O)ccc2Cl)o1 ZINC000084291347 530808879 /nfs/dbraw/zinc/80/88/79/530808879.db2.gz FYODZEBZOBDBMR-ZETCQYMHSA-N -1 0 379.847 1.474 50 0 GDAARM COC(=O)c1[n-]n(C(C)=O)c2c(O)n(-c3ccc(Cl)c(Cl)c3)c(=O)c1-2 ZINC000101141553 530823799 /nfs/dbraw/zinc/82/37/99/530823799.db2.gz XZQCGJHDVLRDIM-ZYHUDNBSSA-N -1 0 384.175 1.243 50 0 GDAARM O=C([O-])[C@H]1CCCN1C(=O)[C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000238073280 531054544 /nfs/dbraw/zinc/05/45/44/531054544.db2.gz FEIQMCBJNZOKHR-CHWSQXEVSA-N -1 0 381.226 1.878 50 0 GDAARM Cc1cc(-c2noc(C[N-]S(=O)(=O)c3cccc4nsnc43)n2)no1 ZINC000238863863 531055173 /nfs/dbraw/zinc/05/51/73/531055173.db2.gz LHLSQINHGXAONT-UHFFFAOYSA-N -1 0 378.395 1.516 50 0 GDAARM O=C([O-])C[C@@H](NC(=O)CN1CSCC1=O)c1cccc(Br)c1 ZINC000268934404 531590493 /nfs/dbraw/zinc/59/04/93/531590493.db2.gz FOAFWWPBOHPPQL-LLVKDONJSA-N -1 0 387.255 1.614 50 0 GDAARM C[C@@H](C(=O)[O-])C(=O)N1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 ZINC000569461443 531922569 /nfs/dbraw/zinc/92/25/69/531922569.db2.gz SDUHOLQDTSWJHB-SECBINFHSA-N -1 0 395.264 1.547 50 0 GDAARM CCOC(=O)c1c(C)c(C(N)=O)sc1NC(=O)[C@H]1CC=CC[C@@H]1C(=O)[O-] ZINC000002742375 203958950 /nfs/dbraw/zinc/95/89/50/203958950.db2.gz YDGMDIBBMZLSRL-UWVGGRQHSA-N -1 0 380.422 1.938 50 0 GDAARM CCOC(=O)c1c(C)c(C)sc1NC(=O)CSc1n[nH]c(=O)[n-]c1=O ZINC000002475919 203946380 /nfs/dbraw/zinc/94/63/80/203946380.db2.gz VZAKKBGCDGRZNT-UHFFFAOYSA-N -1 0 384.439 1.456 50 0 GDAARM CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(O[C@@H](C)C(=O)[O-])c(OC)c1 ZINC000004196356 204032463 /nfs/dbraw/zinc/03/24/63/204032463.db2.gz JUQKGIKRKGDJLN-BONVTDFDSA-N -1 0 378.381 1.738 50 0 GDAARM COC(=O)c1[n-]n(-c2ccccc2)c2c(O)n(-c3ccccc3OC)c(=O)c1-2 ZINC000004281903 204035077 /nfs/dbraw/zinc/03/50/77/204035077.db2.gz TYDWHRGWXYQNIK-WBVHZDCISA-N -1 0 379.372 1.602 50 0 GDAARM COc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2ccc(C(=O)[O-])cc2)C1=O ZINC000004724078 204069896 /nfs/dbraw/zinc/06/98/96/204069896.db2.gz KBRHTASULPQIPU-XNTDXEJSSA-N -1 0 395.371 1.925 50 0 GDAARM O=C([O-])CCCCCN1C(=O)C[C@H](N2CCN(c3ccc(O)cc3)CC2)C1=O ZINC000004623338 204057907 /nfs/dbraw/zinc/05/79/07/204057907.db2.gz WHAZJACPHZSOJY-KRWDZBQOSA-N -1 0 389.452 1.287 50 0 GDAARM CNS(=O)(=O)c1cc([N-]S(=O)(=O)c2cc(F)ccc2F)ccc1C ZINC000007423747 204241225 /nfs/dbraw/zinc/24/12/25/204241225.db2.gz HZLNDYUSWXJSKC-UHFFFAOYSA-N -1 0 376.406 1.982 50 0 GDAARM CCOc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)NCCCC(=O)[O-] ZINC000008878339 204293013 /nfs/dbraw/zinc/29/30/13/204293013.db2.gz QERCSFJLVORRMD-UHFFFAOYSA-N -1 0 398.481 1.855 50 0 GDAARM O=C([O-])[C@@H]1CCCN1C(=O)c1ccc(S(=O)(=O)N2CCCCCC2)cc1 ZINC000008429419 204276464 /nfs/dbraw/zinc/27/64/64/204276464.db2.gz MDJWEKGMZGPAMD-INIZCTEOSA-N -1 0 380.466 1.941 50 0 GDAARM CSCC[C@@H](NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl)C(=O)[O-] ZINC000009683020 204319571 /nfs/dbraw/zinc/31/95/71/204319571.db2.gz JMGAVPVKTSUIHZ-GFCCVEGCSA-N -1 0 394.902 1.526 50 0 GDAARM CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(=O)[O-])C(=O)CF ZINC000011686663 204350990 /nfs/dbraw/zinc/35/09/90/204350990.db2.gz LYBWGROBJJXCJJ-BBRMVZONSA-N -1 0 382.388 1.436 50 0 GDAARM COc1ccc2c(c1)c([C@H](C(=O)[O-])[NH+]1CCN(C)CC1)cn2CCC(=O)[O-] ZINC000036357553 205014297 /nfs/dbraw/zinc/01/42/97/205014297.db2.gz NGCPOJDNEVGNPE-GOSISDBHSA-N -1 0 375.425 1.498 50 0 GDAARM O=C(NCCc1nccn1Cc1ccccc1)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000040119061 205054200 /nfs/dbraw/zinc/05/42/00/205054200.db2.gz NKKSCLWXFJBWEK-UHFFFAOYSA-N -1 0 390.403 1.241 50 0 GDAARM CNS(=O)(=O)c1cc(C(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)ccc1OC ZINC000299377618 205080315 /nfs/dbraw/zinc/08/03/15/205080315.db2.gz UFNAOPBMLZWKSN-UBHSHLNASA-N -1 0 396.465 1.461 50 0 GDAARM COc1ccc(CN(C)C(=O)c2nc3n(n2)-c2ccccc2S(=O)(=O)[N-]3)cc1 ZINC000083862589 205086406 /nfs/dbraw/zinc/08/64/06/205086406.db2.gz QHKHLOREXUSPLQ-UHFFFAOYSA-N -1 0 399.432 1.662 50 0 GDAARM COc1ccc(N2C[C@@H](C(=O)N[C@H](C(=O)[O-])c3ccccc3)CC2=O)cc1OC ZINC000299752440 205106055 /nfs/dbraw/zinc/10/60/55/205106055.db2.gz UDLHZPJNDLLHLI-LIRRHRJNSA-N -1 0 398.415 1.999 50 0 GDAARM O=C([O-])CCN(C[C@@H]1CCCO1)C(=O)Cn1cc(Br)ccc1=O ZINC000299749755 205103512 /nfs/dbraw/zinc/10/35/12/205103512.db2.gz LKBZJENGOZMBLE-LBPRGKRZSA-N -1 0 387.230 1.093 50 0 GDAARM CC(C)C[C@H](NC(=O)CC[C@H]1NC(=O)N(c2ccc(F)cc2F)C1=O)C(=O)[O-] ZINC000299751692 205104187 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GDAARM CCOc1ccc(S(=O)(=O)N2CCN(c3ncccc3C(=O)[O-])CC2)cc1 ZINC000012925170 204467487 /nfs/dbraw/zinc/46/74/87/204467487.db2.gz SHONZCOZYJWDTI-UHFFFAOYSA-N -1 0 391.449 1.689 50 0 GDAARM Cc1c([N-]S(=O)(=O)c2cccc3nsnc32)c(-n2cnnc2)nn1C ZINC000015830651 204578685 /nfs/dbraw/zinc/57/86/85/204578685.db2.gz ZEUQOBCUOPOTDR-UHFFFAOYSA-N -1 0 376.427 1.115 50 0 GDAARM Cc1cn2c(nc(C)c(S(=O)(=O)[N-]c3ccc4c(c3)OCCO4)c2=O)s1 ZINC000020922073 204745202 /nfs/dbraw/zinc/74/52/02/204745202.db2.gz QLERHRYZKHDENB-UHFFFAOYSA-N -1 0 393.446 1.945 50 0 GDAARM COc1ccc2c(c1)c([C@H](C(=O)[O-])[NH+]1CCN(C(C)=O)CC1)cn2CC(=O)[O-] ZINC000036358976 205013893 /nfs/dbraw/zinc/01/38/93/205013893.db2.gz JAOYZTYGASSHJU-GOSISDBHSA-N -1 0 389.408 1.024 50 0 GDAARM O=C([O-])Cn1cc([C@@H](C(=O)[O-])[NH+]2CCN(c3ncccn3)CC2)c2ccccc21 ZINC000036358573 205013941 /nfs/dbraw/zinc/01/39/41/205013941.db2.gz GNUIJVJJUWNQGR-SFHVURJKSA-N -1 0 395.419 1.464 50 0 GDAARM CC(=O)[N-]S(=O)(=O)c1ccc(NC(=O)c2cnc3ccccc3c2O)cc1 ZINC000036356933 205014607 /nfs/dbraw/zinc/01/46/07/205014607.db2.gz AHOHYAYPIUHYIK-UHFFFAOYSA-N -1 0 385.401 1.605 50 0 GDAARM O=C([O-])C[C@H](NC(=O)[C@@H]1CCS(=O)(=O)C1)c1ccc(Br)cc1 ZINC000299746685 205099214 /nfs/dbraw/zinc/09/92/14/205099214.db2.gz ZCLMFSFHCQKHAQ-PWSUYJOCSA-N -1 0 390.255 1.516 50 0 GDAARM O=C([O-])[C@H]1COCCN1C(=O)c1cc(N2CCCC2=O)cc(C(F)(F)F)c1 ZINC000299752004 205106288 /nfs/dbraw/zinc/10/62/88/205106288.db2.gz SIHBSIIFSJSINO-CYBMUJFWSA-N -1 0 386.326 1.758 50 0 GDAARM CSCC[C@H](NC(=O)Cn1nc(-c2ccccc2F)ccc1=O)C(=O)[O-] ZINC000049546574 205128394 /nfs/dbraw/zinc/12/83/94/205128394.db2.gz SNCGRINEVONOCD-AWEZNQCLSA-N -1 0 379.413 1.372 50 0 GDAARM O=C([O-])[C@@H]1COCCN1C(=O)c1cccc(-n2cc(Br)cn2)c1 ZINC000299748952 205102122 /nfs/dbraw/zinc/10/21/22/205102122.db2.gz IPRVCKJGOSLEKQ-ZDUSSCGKSA-N -1 0 380.198 1.560 50 0 GDAARM NC(=O)c1ccccc1OCc1cccc(C(=O)N2CCO[C@H](CC(=O)[O-])C2)c1 ZINC000299749338 205102911 /nfs/dbraw/zinc/10/29/11/205102911.db2.gz JZGVFJQMGBQWKI-MRXNPFEDSA-N -1 0 398.415 1.680 50 0 GDAARM COc1ccc(N2C[C@H](C(=O)N3CCCC[C@H]3C(=O)[O-])CC2=O)cc1OC ZINC000299751488 205104828 /nfs/dbraw/zinc/10/48/28/205104828.db2.gz QQQVFWZYSCAOLM-OCCSQVGLSA-N -1 0 376.409 1.522 50 0 GDAARM Cc1cc(C(=O)N2CCOC[C@H]2C(=O)[O-])c(C)n1-c1ccc2c(c1)OCCO2 ZINC000299748846 205104974 /nfs/dbraw/zinc/10/49/74/205104974.db2.gz IKPCXXMGKOAURN-INIZCTEOSA-N -1 0 386.404 1.791 50 0 GDAARM C[C@]1(c2ccc(C(=O)N(CCc3ccccc3)CC(=O)[O-])cc2)NC(=O)NC1=O ZINC000299751556 205105419 /nfs/dbraw/zinc/10/54/19/205105419.db2.gz QYZYNGAZUKQJCK-OAQYLSRUSA-N -1 0 395.415 1.511 50 0 GDAARM COCCn1c2ccc(C(=O)[O-])cc2n(Cc2nc(CSC)no2)c1=O ZINC000065375579 205232175 /nfs/dbraw/zinc/23/21/75/205232175.db2.gz FRHNYOAARHXZCH-UHFFFAOYSA-N -1 0 378.410 1.442 50 0 GDAARM O=C([O-])c1c2c(sc1S(=O)(=O)[N-]c1ccc3c(c1)OCCO3)C[NH2+]CC2 ZINC000067473498 205248967 /nfs/dbraw/zinc/24/89/67/205248967.db2.gz QZKKVWPKAXVYQA-UHFFFAOYSA-N -1 0 396.446 1.664 50 0 GDAARM COc1ccc(OCc2cc(C(=O)N[C@H](C)c3nnn[n-]3)[nH]n2)c(Cl)c1 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O=C([O-])Cn1nccc1[C@H]1CCCN(CCS(=O)(=O)c2ccccc2)C1 ZINC000426551022 534511453 /nfs/dbraw/zinc/51/14/53/534511453.db2.gz DTFCBQWMIPFBQY-HNNXBMFYSA-N -1 0 377.466 1.621 50 0 GDAARM CCn1c(=O)[nH]c2cc(C(=O)N3[C@@H]4CCCC[C@@H]4C[C@H]3C(=O)[O-])ccc2c1=O ZINC000268934420 523212532 /nfs/dbraw/zinc/21/25/32/523212532.db2.gz GIDQTEOVMCIJPV-LYRGGWFBSA-N -1 0 385.420 1.980 50 0 GDAARM Cc1cc(-c2noc(CCC(=O)N3CCO[C@H](CC(=O)[O-])C3)n2)ccc1F ZINC000262760544 526062454 /nfs/dbraw/zinc/06/24/54/526062454.db2.gz LJXSNHLJKWNNCG-CYBMUJFWSA-N -1 0 377.372 1.819 50 0 GDAARM O=C([O-])[C@@H]1CCN(C(=O)CS(=O)(=O)Cc2cccc(Br)c2)C1 ZINC000269178817 526278113 /nfs/dbraw/zinc/27/81/13/526278113.db2.gz KSJDVNFPXAEGAJ-LLVKDONJSA-N -1 0 390.255 1.297 50 0 GDAARM Cc1cc(=O)n(CC(=O)N2C[C@H]3COc4ccccc4C[C@@]3(C(=O)[O-])C2)nc1C ZINC000096138648 570212604 /nfs/dbraw/zinc/21/26/04/570212604.db2.gz NMDPXJRWBVKBAP-HRAATJIYSA-N -1 0 397.431 1.025 50 0 GDAARM Cc1cc(C)n2nc(C(=O)N3CCCn4nc(CCC(=O)[O-])cc4C3)cc2n1 ZINC000095375271 570226217 /nfs/dbraw/zinc/22/62/17/570226217.db2.gz DNKGCNLUOLFMDS-UHFFFAOYSA-N -1 0 382.424 1.606 50 0 GDAARM Cc1c2cc(Cl)c([O-])cc2oc(=O)c1CC(=O)NCCN1CCOCC1 ZINC000020533621 570265736 /nfs/dbraw/zinc/26/57/36/570265736.db2.gz SCUZWUISTVLRDQ-UHFFFAOYSA-N -1 0 380.828 1.451 50 0 GDAARM CC(=O)c1c(COc2ccc(CCC(=O)[O-])cc2)[n+]([O-])c2ccccc2[n+]1[O-] ZINC000101172232 570281520 /nfs/dbraw/zinc/28/15/20/570281520.db2.gz LROAMRKHSORWNH-UHFFFAOYSA-N -1 0 382.372 1.905 50 0 GDAARM CSCC[C@H](NC(=O)COc1cc(O)c2c(c1)OC(C)(C)CC2=O)C(=O)[O-] ZINC000020763400 570282533 /nfs/dbraw/zinc/28/25/33/570282533.db2.gz KUCNEGXKHSMELJ-NSHDSACASA-N -1 0 397.449 1.837 50 0 biogenic GDAARM CSCC[C@H](NC(=O)COc1ccc2nc3n(c(=O)c2c1)CCC3)C(=O)[O-] ZINC000012901484 570288635 /nfs/dbraw/zinc/28/86/35/570288635.db2.gz LLILCGVEUZRWGI-AWEZNQCLSA-N -1 0 391.449 1.044 50 0 biogenic GDAARM COC(=O)c1nc(C(C)(C)NC(=O)OCc2ccccc2)n(C)c(=O)c1[O-] ZINC000021300715 570289909 /nfs/dbraw/zinc/28/99/09/570289909.db2.gz SNDXNBICJATRDW-UHFFFAOYSA-N -1 0 375.381 1.434 50 0 in-vitro GDAARM CCOC(=O)[C@H]1CCCN(C(=O)CCc2nnc(-c3ccccc3)[n-]c2=O)C1 ZINC000034767662 570333642 /nfs/dbraw/zinc/33/36/42/570333642.db2.gz HFNKSHBHANQJOH-HNNXBMFYSA-N -1 0 384.436 1.979 50 0 GDAARM O=C([O-])c1nccnc1C(=O)N1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000004481101 570377703 /nfs/dbraw/zinc/37/77/03/570377703.db2.gz AOWOFTGCICBUAQ-UHFFFAOYSA-N -1 0 381.314 1.551 50 0 GDAARM CN(Cc1nc2cc(F)ccc2[nH]1)C(=O)CC[C@]1(CCC(=O)[O-])CCC(=O)N1 ZINC000222538994 570413821 /nfs/dbraw/zinc/41/38/21/570413821.db2.gz IBINDXKJMNTQOE-IBGZPJMESA-N -1 0 390.415 1.954 50 0 GDAARM CCOC(=O)c1ccccc1NC(=O)CSc1nc(C)c(CCO)c(=O)[nH]1 ZINC000011905737 570446157 /nfs/dbraw/zinc/44/61/57/570446157.db2.gz HKIYMNRLCCRMAE-UHFFFAOYSA-N -1 0 391.449 1.521 50 0 GDAARM Cn1ccnc1Sc1ccc([N-]S(=O)(=O)c2cc(C(N)=O)n(C)c2)cc1 ZINC000028242647 570453383 /nfs/dbraw/zinc/45/33/83/570453383.db2.gz WKFBCELLCXALOJ-UHFFFAOYSA-N -1 0 391.478 1.810 50 0 GDAARM Cn1cc([C@H]2[C@@H](C(=O)NC[C@@H](Cc3ccccc3)C(=O)[O-])CCC(=O)N2C)cn1 ZINC000268907221 570460516 /nfs/dbraw/zinc/46/05/16/570460516.db2.gz NYNRZZOSUMTYAU-AYBZRNKSSA-N -1 0 398.463 1.389 50 0 GDAARM CNS(=O)(=O)c1ccc(CCC(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)cc1 ZINC000268909301 570461152 /nfs/dbraw/zinc/46/11/52/570461152.db2.gz FOFNCWKJMUCDJA-XIRDDKMYSA-N -1 0 394.493 1.772 50 0 GDAARM O=C([O-])C[C@@H]1CN(C(=O)[C@H]2CCCN2c2ncnc3sccc32)CCO1 ZINC000269043852 570510394 /nfs/dbraw/zinc/51/03/94/570510394.db2.gz RXRIXRIKKYHWNJ-DGCLKSJQSA-N -1 0 376.438 1.362 50 0 GDAARM CC(=O)NC1(c2noc(CCC(=O)N3CCC[C@H]3C(=O)[O-])n2)CCCCCC1 ZINC000262104107 570619309 /nfs/dbraw/zinc/61/93/09/570619309.db2.gz JITIIBHNCYIYRL-AWEZNQCLSA-N -1 0 392.456 1.763 50 0 GDAARM O=C([O-])Cc1csc(NC(=O)CSc2nnnn2-c2ccc(O)cc2)n1 ZINC000012368328 570647555 /nfs/dbraw/zinc/64/75/55/570647555.db2.gz MZKHTVNYYXYNEB-UHFFFAOYSA-N -1 0 392.422 1.182 50 0 GDAARM 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386.452 1.864 50 0 GDAARM C[C@H]1Cc2cc(C(=O)NC3(C(=O)[O-])CCCCC3)ccc2N1S(C)(=O)=O ZINC000013426241 570754827 /nfs/dbraw/zinc/75/48/27/570754827.db2.gz GIKLLTIQSPKPDS-LBPRGKRZSA-N -1 0 380.466 1.915 50 0 GDAARM CCOCCC1C(=O)N=C(SCC(=O)Nc2ccc(OC)cc2)N=C1[O-] ZINC000013957209 570808351 /nfs/dbraw/zinc/80/83/51/570808351.db2.gz WBAAILNXXNRNBG-UHFFFAOYSA-N -1 0 379.438 1.794 50 0 GDAARM CCC(=O)N1N=C(c2c(=O)[nH]c(=O)n(C)c2[O-])C[C@@H]1c1c[nH]c2ccccc21 ZINC000101766247 570831232 /nfs/dbraw/zinc/83/12/32/570831232.db2.gz VKDYUGQBLKHTGL-CQSZACIVSA-N -1 0 381.392 1.348 50 0 GDAARM COc1ccc([C@@H]2CC(c3c(=O)[nH]c(=O)n(Cc4ccccc4)c3[O-])=NN2)cc1 ZINC000101762270 570832688 /nfs/dbraw/zinc/83/26/88/570832688.db2.gz VAHXXXKLHMLXSB-INIZCTEOSA-N -1 0 392.415 1.738 50 0 GDAARM COc1ccc(Cl)cc1S(=O)(=O)N1CCc2c(nc3cc[n-]n3c2=O)C1 ZINC000102990205 570872347 /nfs/dbraw/zinc/87/23/47/570872347.db2.gz LPWCRMHDYIPCGN-UHFFFAOYSA-N -1 0 394.840 1.432 50 0 GDAARM CCc1nc2sc([C@@H](c3ccco3)N3CCN(C(C)=O)CC3)c([O-])n2n1 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ZINC000011795899 530554942 /nfs/dbraw/zinc/55/49/42/530554942.db2.gz VBQFVAAWWZVXFW-AWEZNQCLSA-N -1 0 383.495 1.969 50 0 GDAARM CN(C)S(=O)(=O)c1ccc(S(=O)(=O)Nc2ccccc2C(=O)[O-])cc1 ZINC000012560932 530556999 /nfs/dbraw/zinc/55/69/99/530556999.db2.gz RNHPOPRMHMCKPQ-UHFFFAOYSA-N -1 0 384.435 1.436 50 0 GDAARM CS(=O)(=O)[N-]c1nc(CC(=O)Nc2ccc3oc(=O)ccc3c2)cs1 ZINC000013723164 530558837 /nfs/dbraw/zinc/55/88/37/530558837.db2.gz NEIQNUIOCBPLND-UHFFFAOYSA-N -1 0 379.419 1.802 50 0 GDAARM O=C([O-])[C@H](Cc1ccccc1)NC(=O)CNC(=O)c1ccc(Br)o1 ZINC000014119217 530559540 /nfs/dbraw/zinc/55/95/40/530559540.db2.gz XAGSTDYQNDIVKC-NSHDSACASA-N -1 0 395.209 1.584 50 0 GDAARM O=C([O-])c1ccc(S(=O)(=O)NC[C@@H]2CCCOC2)c(Br)c1 ZINC000038044452 530617069 /nfs/dbraw/zinc/61/70/69/530617069.db2.gz WZEWEHRTEHQZOS-VIFPVBQESA-N -1 0 378.244 1.852 50 0 GDAARM C[C@H](NS(=O)(=O)c1cccs1)C(=O)N[C@@H]1CCCCCC[C@@H]1C(=O)[O-] ZINC000095989870 530817671 /nfs/dbraw/zinc/81/76/71/530817671.db2.gz HEBWAQMHVVNQHA-RWMBFGLXSA-N -1 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O=C([O-])[C@H]1CCCC[C@@H]1C(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000006741188 204198976 /nfs/dbraw/zinc/19/89/76/204198976.db2.gz QTWORYRHCUOBGF-HOTGVXAUSA-N -1 0 398.456 1.550 50 0 GDAARM COCCCN1C(=O)[N-]C(=O)C(=C2C[C@@H](c3ccccc3)N(C(C)=O)N2)C1=O ZINC000008971501 204293785 /nfs/dbraw/zinc/29/37/85/204293785.db2.gz HFLNMWZDDBVEIA-RIBQPWQFSA-N -1 0 386.408 1.694 50 0 GDAARM O=C([O-])[C@H](NC(=O)CNC(=O)N1CC(=O)Nc2ccccc21)c1ccccc1 ZINC000008995604 204296548 /nfs/dbraw/zinc/29/65/48/204296548.db2.gz AONUKOCHFUQWGX-QGZVFWFLSA-N -1 0 382.376 1.746 50 0 GDAARM O=C1[N-]C(=O)[C@@]2(Cc3c(=O)n4ccccc4nc3N3CCCCC[C@H]32)C(=O)N1 ZINC000009357420 204308124 /nfs/dbraw/zinc/30/81/24/204308124.db2.gz OACPJUORMUAJFN-LBPRGKRZSA-N -1 0 381.392 1.192 50 0 GDAARM O=C1c2ccccc2C(=O)N1c1cc(=O)nc2[n-]c(COc3ccccc3)nn21 ZINC000009360585 204308802 /nfs/dbraw/zinc/30/88/02/204308802.db2.gz RNSKSVQGUOIYBM-UHFFFAOYSA-N -1 0 387.355 1.797 50 0 GDAARM CC(C)[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)[N-]OCc1ccccc1 ZINC000010319006 204333988 /nfs/dbraw/zinc/33/39/88/204333988.db2.gz JVGHZWOOVAWSIL-KRWDZBQOSA-N -1 0 387.461 1.998 50 0 GDAARM COc1cc(-c2nc3cc(S(N)(=O)=O)ccc3[nH]2)ccc1OCC(=O)[O-] ZINC000013061237 204481083 /nfs/dbraw/zinc/48/10/83/204481083.db2.gz LCAQPYBWAFDUSQ-UHFFFAOYSA-N -1 0 377.378 1.349 50 0 GDAARM CN(CC(=O)NC1CC1)c1cnn(-c2ccc(C(=O)[O-])cc2)c(=O)c1Cl ZINC000013277346 204485191 /nfs/dbraw/zinc/48/51/91/204485191.db2.gz MRMUCIYSQYKLJW-UHFFFAOYSA-N -1 0 376.800 1.299 50 0 GDAARM COc1cc2c(cc1OC)CN(S(=O)(=O)c1ccccc1)[C@@H](C(=O)[O-])C2 ZINC000013720006 204507830 /nfs/dbraw/zinc/50/78/30/204507830.db2.gz YRJWROQGVRPBNS-OAHLLOKOSA-N -1 0 377.418 1.904 50 0 GDAARM COc1cccc2c1ccn2CCC(=O)N[C@H](CCCNC(N)=O)C(=O)[O-] ZINC000040313138 205061593 /nfs/dbraw/zinc/06/15/93/205061593.db2.gz AHMRPXWGWQHCSQ-CYBMUJFWSA-N -1 0 376.413 1.058 50 0 biogenic GDAARM COC(=O)c1ccc(C(=O)[N-]S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 ZINC000042294563 205079970 /nfs/dbraw/zinc/07/99/70/205079970.db2.gz JGDDZTDXGRJEAF-UHFFFAOYSA-N -1 0 379.390 1.609 50 0 GDAARM COc1ccc(N2C[C@@H](C(=O)N[C@@H](C(=O)[O-])c3ccccc3)CC2=O)cc1OC ZINC000299752438 205105798 /nfs/dbraw/zinc/10/57/98/205105798.db2.gz UDLHZPJNDLLHLI-IFXJQAMLSA-N -1 0 398.415 1.999 50 0 GDAARM C[C@@]1(c2ccc(C(=O)NCCc3ccc(C(=O)[O-])cc3)cc2)NC(=O)NC1=O ZINC000299752009 205106106 /nfs/dbraw/zinc/10/61/06/205106106.db2.gz SIUPMYMTDRMAHC-FQEVSTJZSA-N -1 0 381.388 1.412 50 0 GDAARM O=C([O-])CCN(C[C@H]1CCCO1)C(=O)C[C@H]1Sc2ccccc2NC1=O ZINC000299752570 205106398 /nfs/dbraw/zinc/10/63/98/205106398.db2.gz UPSDGLFZCNEMJL-IUODEOHRSA-N -1 0 378.450 1.972 50 0 GDAARM O=C([O-])[C@@H]1COCCN1C(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1 ZINC000299751870 205106428 /nfs/dbraw/zinc/10/64/28/205106428.db2.gz SASXDJZJSRBUGJ-INIZCTEOSA-N -1 0 378.388 1.860 50 0 GDAARM Cc1c(C(=O)N2CCO[C@H](C(=O)[O-])C2)cnn1-c1ccc(C(F)(F)F)cn1 ZINC000299752755 205106780 /nfs/dbraw/zinc/10/67/80/205106780.db2.gz VILOPMUVQGRHRW-LBPRGKRZSA-N -1 0 384.314 1.520 50 0 GDAARM COc1cc(F)ccc1-c1ccc(=O)n(CC(=O)N2CCC[C@@H](C(=O)[O-])C2)n1 ZINC000049545185 205128423 /nfs/dbraw/zinc/12/84/23/205128423.db2.gz JWGYIDAZKDVLMV-GFCCVEGCSA-N -1 0 389.383 1.381 50 0 GDAARM COc1ccc(N2C[C@H](C(=O)NC3CCC(C(=O)[O-])CC3)CC2=O)cc1OC ZINC000299746100 205100036 /nfs/dbraw/zinc/10/00/36/205100036.db2.gz VGOJTAHWVINIIK-ROKHWSDSSA-N -1 0 390.436 1.816 50 0 GDAARM C[C@@H]1CN(C(=O)Cn2c3cc(C(=O)[O-])ccc3n(CC3CC3)c2=O)C[C@H](C)O1 ZINC000055074466 205142106 /nfs/dbraw/zinc/14/21/06/205142106.db2.gz SCQKIDJTFOZSPF-BETUJISGSA-N -1 0 387.436 1.547 50 0 GDAARM O=C([O-])[C@@H]1CCCN(C(=O)Cn2nc(-c3ccc(Cl)cc3)ccc2=O)C1 ZINC000061719516 205182836 /nfs/dbraw/zinc/18/28/36/205182836.db2.gz VKMBTPNJBAAUTF-CYBMUJFWSA-N -1 0 375.812 1.887 50 0 GDAARM CC[C@H](C)[C@@H](NC(=O)Cn1nc(-c2ccc(F)cc2OC)ccc1=O)C(=O)[O-] ZINC000071334546 205282190 /nfs/dbraw/zinc/28/21/90/205282190.db2.gz IZACDIYRKDMMCB-BBATYDOGSA-N -1 0 391.399 1.674 50 0 GDAARM Cc1nn(-c2ccccn2)c(N)c1[C@H]1CC(=O)N(c2cccc(C(=O)[O-])c2)C1=O ZINC000071284038 205279188 /nfs/dbraw/zinc/27/91/88/205279188.db2.gz IXTZWSZFJMSZJS-CQSZACIVSA-N -1 0 391.387 1.903 50 0 GDAARM COc1ccc(C(=O)N2CCOCC2)cc1NC(=O)[C@H]1[C@@H](C(=O)[O-])C1(C)C ZINC000071284660 205280057 /nfs/dbraw/zinc/28/00/57/205280057.db2.gz INHAOKJHZPTYKJ-CABCVRRESA-N -1 0 376.409 1.463 50 0 GDAARM O=C([N-]S(=O)(=O)Cc1cccc2cccnc21)c1cnc2ccccn2c1=O ZINC000089878849 205408639 /nfs/dbraw/zinc/40/86/39/205408639.db2.gz VZYULXQCCZZQRZ-UHFFFAOYSA-N -1 0 394.412 1.503 50 0 GDAARM Cc1occc1C(=O)N1CCN(S(=O)(=O)c2cc(C(=O)[O-])cs2)CC1 ZINC000095365093 205445775 /nfs/dbraw/zinc/44/57/75/205445775.db2.gz FSBDUQADUONIOY-UHFFFAOYSA-N -1 0 384.435 1.494 50 0 GDAARM Cc1cccc(C[C@H](CNC(=O)[C@H]2CC(=O)N(CC(F)(F)F)C2)C(=O)[O-])c1 ZINC000237671130 205684067 /nfs/dbraw/zinc/68/40/67/205684067.db2.gz XAPHKFBFDWCOFQ-KGLIPLIRSA-N -1 0 386.370 1.765 50 0 GDAARM O=C([O-])C1CCN(C(=O)c2ccc(F)c(S(=O)(=O)N3CCCCC3)c2)CC1 ZINC000013167098 205886792 /nfs/dbraw/zinc/88/67/92/205886792.db2.gz LFCCETQQOIKXPF-UHFFFAOYSA-N -1 0 398.456 1.937 50 0 GDAARM Cn1c2nc(NCCCCCC(=O)[O-])n(Cc3ccccc3)c2c(=O)[nH]c1=O ZINC000016839411 205907372 /nfs/dbraw/zinc/90/73/72/205907372.db2.gz IHSLYAVJBVEAPT-UHFFFAOYSA-N -1 0 385.424 1.529 50 0 GDAARM COC(=O)C[C@H](c1ccc(OC)c(O)c1)c1c(O)cc(C)n(CC(=O)[O-])c1=O ZINC000096221429 206121762 /nfs/dbraw/zinc/12/17/62/206121762.db2.gz RPJZLCYEOHIPBM-GFCCVEGCSA-N -1 0 391.376 1.356 50 0 biogenic GDAARM COC(=O)C[C@@H](c1ccc(OC)cc1)c1c(O)cc(C)n(CC(=O)[O-])c1=O ZINC000096222495 206121902 /nfs/dbraw/zinc/12/19/02/206121902.db2.gz FYDNBNBMNQDKPC-AWEZNQCLSA-N -1 0 375.377 1.651 50 0 biogenic GDAARM COc1ccc(S(=O)(=O)CCC(=O)N[C@@H](C(=O)[O-])c2ccccc2)cc1F ZINC000252479576 206137534 /nfs/dbraw/zinc/13/75/34/206137534.db2.gz BHUPPBBFCVGWIQ-QGZVFWFLSA-N -1 0 395.408 1.940 50 0 GDAARM O=C(CCc1n[nH]c(=O)[n-]c1=O)N[C@H](c1nc2ccccc2[nH]1)c1ccccc1 ZINC000253623926 206149333 /nfs/dbraw/zinc/14/93/33/206149333.db2.gz TVDACWUDMVFIPL-KRWDZBQOSA-N -1 0 390.403 1.998 50 0 GDAARM CCCNC(=O)CN1CCN(c2ccc(NC(=O)CC)c(C(=O)[O-])c2)CC1 ZINC000064589926 136157189 /nfs/dbraw/zinc/15/71/89/136157189.db2.gz QAGSNBRGDMUKQJ-UHFFFAOYSA-N -1 0 376.457 1.382 50 0 GDAARM CN(CCc1ccccn1)c1ncc(C(C)(C)C(=O)[O-])c(N2CCOCC2)n1 ZINC000096151623 136184558 /nfs/dbraw/zinc/18/45/58/136184558.db2.gz OMHVZYMPPANRNP-UHFFFAOYSA-N -1 0 385.468 1.749 50 0 GDAARM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)[C@@H]1CCC(=O)N(C)[C@H]1c1cnn(C)c1 ZINC000268934707 523212767 /nfs/dbraw/zinc/21/27/67/523212767.db2.gz MNARSVXSEZENAQ-AEFFLSMTSA-N -1 0 384.436 1.686 50 0 GDAARM C[C@@H](Oc1ccc(F)cc1Br)C(=O)N1CCOC[C@H]1C(=O)[O-] ZINC000268966414 525931842 /nfs/dbraw/zinc/93/18/42/525931842.db2.gz DDDPQMHDNYKKSW-KCJUWKMLSA-N -1 0 376.178 1.668 50 0 GDAARM O=C([O-])[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)CCn1c(=O)[nH]c(=O)c2ccccc21 ZINC000268942267 526292505 /nfs/dbraw/zinc/29/25/05/526292505.db2.gz LYSRVALODPHGRW-XPKDYRNWSA-N -1 0 385.420 1.737 50 0 GDAARM CCN(CC)C(=O)CN1CCN(c2ccc(NC(C)=O)c(C(=O)[O-])c2)CC1 ZINC000064590028 535432403 /nfs/dbraw/zinc/43/24/03/535432403.db2.gz HSDHTDUVMWMSNV-UHFFFAOYSA-N -1 0 376.457 1.334 50 0 GDAARM CN(C)C(=O)N1C[C@@H]2CN(C(=O)c3cn(C)c4ccccc34)C[C@]2(C(=O)[O-])C1 ZINC000096132948 570211611 /nfs/dbraw/zinc/21/16/11/570211611.db2.gz VFLAJLPZVNUMNM-RBZFPXEDSA-N -1 0 384.436 1.319 50 0 GDAARM CN(C)C(=O)N1C[C@@H]2CN(C(=O)CCc3ccc(Cl)cc3)C[C@]2(C(=O)[O-])C1 ZINC000096138941 570212828 /nfs/dbraw/zinc/21/28/28/570212828.db2.gz HLSBTJWAYZKRBM-LIRRHRJNSA-N -1 0 393.871 1.799 50 0 GDAARM COc1cc(NC(=O)CN2C(=O)c3ccccc3C2=O)c(C(=O)[O-])cc1OC ZINC000001010604 570235129 /nfs/dbraw/zinc/23/51/29/570235129.db2.gz CSVIFRWYDJYETE-UHFFFAOYSA-N -1 0 384.344 1.637 50 0 GDAARM CCC(=O)N1CCN(c2cc3c(cc2F)c(=O)c(C(=O)[O-])cn3CC)CC1 ZINC000002592080 570291910 /nfs/dbraw/zinc/29/19/10/570291910.db2.gz DENWJGKPZTWWGM-UHFFFAOYSA-N -1 0 375.400 1.917 50 0 GDAARM CCOC(=O)[N-]S(=O)(=O)c1ccc(CCNC(=O)c2cnc(C)cn2)cc1 ZINC000022059095 570303639 /nfs/dbraw/zinc/30/36/39/570303639.db2.gz IWLIZOPQUBXCKO-UHFFFAOYSA-N -1 0 392.437 1.192 50 0 in-vitro GDAARM NC(=O)c1cc(C(=O)N2Cc3ccccc3C[C@H]2C(=O)[O-])nn1-c1ccccc1 ZINC000485700347 570322286 /nfs/dbraw/zinc/32/22/86/570322286.db2.gz XLCWTZYQXFZCFR-SFHVURJKSA-N -1 0 390.399 1.623 50 0 GDAARM COC(=O)c1ccc(CNC(=O)CSc2nn(-c3ccccc3)c(=O)[n-]2)cc1 ZINC000012979693 570386406 /nfs/dbraw/zinc/38/64/06/570386406.db2.gz QSNMTKVGIZJNBJ-UHFFFAOYSA-N -1 0 398.444 1.756 50 0 GDAARM CSCC[C@H]([NH3+])C(=O)NC[C@H]1CC[C@H](C(=O)N[C@@H](C(=O)[O-])C(C)C)CC1 ZINC000248080407 570438401 /nfs/dbraw/zinc/43/84/01/570438401.db2.gz PDAPPZMPVIHFMQ-ZQDZILKHSA-N -1 0 387.546 1.215 50 0 biogenic GDAARM COc1ccc(C(=O)NCC(=O)N/N=C/c2ccc(C(=O)[O-])cc2)cc1OC ZINC000001922291 570641008 /nfs/dbraw/zinc/64/10/08/570641008.db2.gz FSSJLEFFVBYTEY-UFFVCSGVSA-N -1 0 385.376 1.282 50 0 GDAARM COc1cc2c(c3oc(=O)c(CC(=O)NCC(=O)[O-])c(C)c13)CCC(C)(C)O2 ZINC000008765073 570682014 /nfs/dbraw/zinc/68/20/14/570682014.db2.gz HNLUJULFRJWFIB-UHFFFAOYSA-N -1 0 389.404 1.957 50 0 biogenic GDAARM C[C@H]1CCCCN1C(=O)CNC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC000013237351 570751736 /nfs/dbraw/zinc/75/17/36/570751736.db2.gz YCMNGQWRBBRZFK-SUMWQHHRSA-N -1 0 386.452 1.864 50 0 GDAARM CCn1cc(S(=O)(=O)N2CCN(C)C[C@@H]2c2ccccc2)cc1C(=O)[O-] ZINC000237024763 570798521 /nfs/dbraw/zinc/79/85/21/570798521.db2.gz LHDGOJGFYHHBTQ-QGZVFWFLSA-N -1 0 377.466 1.884 50 0 GDAARM Cc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)NCc4ccccc4)c=3c2=O)cc1C ZINC000101389468 570821650 /nfs/dbraw/zinc/82/16/50/570821650.db2.gz KLUGDFCZUXBZRG-RBUKOAKNSA-N -1 0 391.431 1.913 50 0 GDAARM CSCCN1CCN(C(=O)c2cccc(-c3cncc(C(=O)[O-])n3)c2)CC1 ZINC000534640107 570913104 /nfs/dbraw/zinc/91/31/04/570913104.db2.gz MOBQAINMZUHURL-UHFFFAOYSA-N -1 0 386.477 1.963 50 0 GDAARM C[C@H](NC(=O)c1cccc(OC2CCN(C(=O)C3CC3)CC2)c1)c1nnn[n-]1 ZINC000095504348 571078052 /nfs/dbraw/zinc/07/80/52/571078052.db2.gz MGBPEJVADFJMRV-LBPRGKRZSA-N -1 0 384.440 1.471 50 0 GDAARM Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@H](C(=O)[O-])C(C)C)CC2)cc1 ZINC000002422363 597023116 /nfs/dbraw/zinc/02/31/16/597023116.db2.gz ONPLZOZUOZPPAY-INIZCTEOSA-N -1 0 382.482 1.621 50 0 GDAARM C[C@H](NC(=O)N1CCO[C@H](C(=O)[O-])C1)[C@@H](OC1CCOCC1)c1ccccc1 ZINC000666537205 597349759 /nfs/dbraw/zinc/34/97/59/597349759.db2.gz VLKXIVUWLVTLPJ-JCGIZDLHSA-N -1 0 392.452 1.807 50 0 GDAARM O=C([O-])CCN(C[C@@H]1CCCO1)C(=O)CN1C(=O)CSc2ccccc21 ZINC000299749215 600488730 /nfs/dbraw/zinc/48/87/30/600488730.db2.gz JMDHXKOAPNWGPR-ZDUSSCGKSA-N -1 0 378.450 1.608 50 0 GDAARM O=C([O-])c1csc(S(=O)(=O)N2CCN(CCO[C@@H]3CC3(F)F)CC2)c1 ZINC000656755877 654054244 /nfs/dbraw/zinc/05/42/44/654054244.db2.gz VPXUWJQGYGIAAP-LLVKDONJSA-N -1 0 396.437 1.177 50 0 GDAARM CC1(C)C[C@]1(C(=O)[O-])C(=O)N1CCN(Cc2nc(N)c3ccccc3n2)CC1 ZINC000663038366 954412014 /nfs/dbraw/zinc/41/20/14/954412014.db2.gz ODDFCXIJRNLNRV-HXUWFJFHSA-N -1 0 383.452 1.357 50 0 GDAARM CN1C[C@@]2(CCCN(C(=O)NCCc3nc(C(=O)[O-])cs3)CC2)OC1=O ZINC000426477348 529824323 /nfs/dbraw/zinc/82/43/23/529824323.db2.gz HGAUHSYDVCPQGX-INIZCTEOSA-N -1 0 382.442 1.400 50 0 GDAARM Nc1ccc(S(=O)(=O)c2cnc(NC(=O)CSCC(=O)[O-])s2)cc1 ZINC000071766934 530804532 /nfs/dbraw/zinc/80/45/32/530804532.db2.gz JMBSSQFHODLUQY-UHFFFAOYSA-N -1 0 387.464 1.314 50 0 GDAARM Cc1cc(S(=O)(=O)NCc2ccc(-n3cccn3)nc2)sc1C(=O)[O-] ZINC000095940683 530817399 /nfs/dbraw/zinc/81/73/99/530817399.db2.gz KMBAEZCVBRMVHK-UHFFFAOYSA-N -1 0 378.435 1.814 50 0 GDAARM CNS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2c(C)[nH]nc2C(F)F)cc1 ZINC000095468040 530817530 /nfs/dbraw/zinc/81/75/30/530817530.db2.gz PWZKPKZTNJCLCY-UHFFFAOYSA-N -1 0 380.398 1.365 50 0 GDAARM C[C@@](NC(=O)[C@@H]1CCCS1(=O)=O)(C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000520428287 531228898 /nfs/dbraw/zinc/22/88/98/531228898.db2.gz PTLZFENHBWWGPJ-FZMZJTMJSA-N -1 0 380.249 1.987 50 0 GDAARM Cc1ccc(S(=O)(=O)N[C@H](C(=O)N2CCC(C(=O)[O-])CC2)C(C)C)cc1 ZINC000005577208 204140981 /nfs/dbraw/zinc/14/09/81/204140981.db2.gz KJTWSKQWOGUZFI-INIZCTEOSA-N -1 0 382.482 1.621 50 0 GDAARM CC(C)[C@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)C(=O)[O-] ZINC000006645518 204187411 /nfs/dbraw/zinc/18/74/11/204187411.db2.gz NVRXRJHRMXPAGC-DOMZBBRYSA-N -1 0 386.445 1.452 50 0 GDAARM CC1(C)Cc2c(sc(NC(=O)C(=O)NC[C@H]3CCCO3)c2C(=O)[O-])CO1 ZINC000006764615 204202450 /nfs/dbraw/zinc/20/24/50/204202450.db2.gz FTANSINBCSVDAW-SECBINFHSA-N -1 0 382.438 1.531 50 0 GDAARM COCCOc1ccc(C(F)(F)F)cc1NC(C)=C1C(=O)[N-]C(=O)NC1=O ZINC000007976996 204256947 /nfs/dbraw/zinc/25/69/47/204256947.db2.gz DFZSFBSGSONXLB-UHFFFAOYSA-N -1 0 387.314 1.783 50 0 GDAARM CC1CCN(S(=O)(=O)c2ccc(C(=O)N3CCC[C@H]3C(=O)[O-])cc2)CC1 ZINC000008277616 204269675 /nfs/dbraw/zinc/26/96/75/204269675.db2.gz CXIZCBBCVNZIGM-INIZCTEOSA-N -1 0 380.466 1.796 50 0 GDAARM O=C(CN1CSCC1=O)Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1 ZINC000009635317 204318037 /nfs/dbraw/zinc/31/80/37/204318037.db2.gz JZRQPLUDZWFWSS-UHFFFAOYSA-N -1 0 398.491 1.415 50 0 GDAARM O=C(Cn1[nH][n-]c2c(=O)n(-c3cccc(F)c3)c(=O)c1=2)Nc1cccc(F)c1 ZINC000018211302 204618384 /nfs/dbraw/zinc/61/83/84/204618384.db2.gz KWWZVRLVAGZKGI-JKSUJKDBSA-N -1 0 385.330 1.897 50 0 GDAARM CS(=O)(=O)N1CCc2cc(C(=O)N3[C@@H]4CCCC[C@H]4C[C@H]3C(=O)[O-])ccc21 ZINC000299348285 205077879 /nfs/dbraw/zinc/07/78/79/205077879.db2.gz IWQBCNKJPOXCLY-VUCTXSBTSA-N -1 0 392.477 1.867 50 0 GDAARM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)CCN1C(=O)NC2(CCCC2)C1=O ZINC000299752392 205105856 /nfs/dbraw/zinc/10/58/56/205105856.db2.gz TZJCJJFGLILFCW-MJBXVCDLSA-N -1 0 377.441 1.485 50 0 GDAARM C[C@@]1(c2ccc(C(=O)N3Cc4ccccc4C[C@@H]3C(=O)[O-])cc2)NC(=O)NC1=O ZINC000299753242 205106039 /nfs/dbraw/zinc/10/60/39/205106039.db2.gz XKRPGXZIGXWGHO-IERDGZPVSA-N -1 0 393.399 1.393 50 0 GDAARM Cc1nc(C(=O)N(CC(=O)[O-])C2CCOCC2)nn1-c1ccc(Cl)cc1 ZINC000299752894 205106185 /nfs/dbraw/zinc/10/61/85/205106185.db2.gz VXJKCMFTIZCPEJ-UHFFFAOYSA-N -1 0 378.816 1.935 50 0 GDAARM O=C([O-])c1csc(CNC(=O)[C@H]2CC(=O)N(c3ccc(F)cc3F)C2)n1 ZINC000299752596 205107048 /nfs/dbraw/zinc/10/70/48/205107048.db2.gz 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Cc1cc(C(=O)N2C[C@H](C(=O)NCc3ccncc3)C[C@H](C(=O)[O-])C2)ccc1O ZINC000072129610 205306707 /nfs/dbraw/zinc/30/67/07/205306707.db2.gz WRBLFCGCWXLSBZ-SJORKVTESA-N -1 0 397.431 1.575 50 0 GDAARM COc1ccc(-c2noc(CCC(=O)N3CCO[C@H](CC(=O)[O-])C3)n2)cc1 ZINC000095425491 205457391 /nfs/dbraw/zinc/45/73/91/205457391.db2.gz MJTDZGXMDJJSRS-CQSZACIVSA-N -1 0 375.381 1.380 50 0 GDAARM O=C([N-]S(=O)(=O)CCC(F)(F)F)c1cccc(N2CCCNC2=O)c1 ZINC000225474345 206051184 /nfs/dbraw/zinc/05/11/84/206051184.db2.gz XSUVGYIGVIUECG-UHFFFAOYSA-N -1 0 379.360 1.618 50 0 GDAARM COC(=O)C[C@@H](c1ccc2c(c1)OCO2)c1c(O)cc(C)n(CC(=O)[O-])c1=O ZINC000096221831 206121285 /nfs/dbraw/zinc/12/12/85/206121285.db2.gz HNTFKLSXHBCPIX-LBPRGKRZSA-N -1 0 389.360 1.371 50 0 biogenic GDAARM Cc1ccc(N2CCN(C(=O)c3snc4c3nc([O-])n(C)c4=O)CC2)cc1 ZINC000096396651 136186988 /nfs/dbraw/zinc/18/69/88/136186988.db2.gz MGRXHVSJMNMGSD-UHFFFAOYSA-N -1 0 385.449 1.366 50 0 GDAARM Cc1cccnc1N1CCN(C(=O)CC[C@@]2(CCC(=O)[O-])CCC(=O)N2)CC1 ZINC000223156610 136205725 /nfs/dbraw/zinc/20/57/25/136205725.db2.gz LJWAFJVIXQTBPY-HXUWFJFHSA-N -1 0 388.468 1.332 50 0 GDAARM CCn1cc(C(=O)[O-])c(=O)c2cc(F)c(NCCN3CCOCC3)c(F)c21 ZINC000071318121 222181076 /nfs/dbraw/zinc/18/10/76/222181076.db2.gz ZDZWFSCGJJMOHG-UHFFFAOYSA-N -1 0 381.379 1.742 50 0 GDAARM Cc1oc(CNC(=O)c2ccc3c(c2)CCN3S(C)(=O)=O)cc1C(=O)[O-] ZINC000408513372 534545439 /nfs/dbraw/zinc/54/54/39/534545439.db2.gz CPHWBNCAHADTLW-UHFFFAOYSA-N -1 0 378.406 1.538 50 0 GDAARM COc1ccc(C(=O)N(CCc2ccccc2)CC(=O)[O-])cc1N1CCNC1=O ZINC000269149828 523614338 /nfs/dbraw/zinc/61/43/38/523614338.db2.gz RQMCLVMZHRGOBS-UHFFFAOYSA-N -1 0 397.431 1.994 50 0 GDAARM COc1ccc(C(N)=O)cc1[N-]S(=O)(=O)c1cc2[nH]c(=O)[nH]c2cc1C ZINC000011635243 570242958 /nfs/dbraw/zinc/24/29/58/570242958.db2.gz AZFADSLQHPOVRQ-UHFFFAOYSA-N -1 0 376.394 1.073 50 0 GDAARM COc1cc(OC)nc(CSCCNC(=O)[C@@H]2CCCC[C@@H]2C(=O)[O-])n1 ZINC000001742115 570267794 /nfs/dbraw/zinc/26/77/94/570267794.db2.gz VLELQEMNXHLQAP-NEPJUHHUSA-N -1 0 383.470 1.734 50 0 GDAARM COc1cc(OC)nc(CSCCNC(=O)[C@H]2CCCC[C@H]2C(=O)[O-])n1 ZINC000001742107 570268005 /nfs/dbraw/zinc/26/80/05/570268005.db2.gz VLELQEMNXHLQAP-NWDGAFQWSA-N -1 0 383.470 1.734 50 0 GDAARM C[C@H](NS(=O)(=O)N1CCC(C(=O)[O-])CC1)c1ccccc1-n1cccn1 ZINC000566971606 570275637 /nfs/dbraw/zinc/27/56/37/570275637.db2.gz NBVPZRCOJGOVIM-ZDUSSCGKSA-N -1 0 378.454 1.564 50 0 GDAARM COc1ccc2[nH]c3c([n-]c(=S)n(CC(=O)N4CCN(C)CC4)c3=O)c2c1 ZINC000004951667 570380760 /nfs/dbraw/zinc/38/07/60/570380760.db2.gz NQXMZKUNAFGBMP-UHFFFAOYSA-N -1 0 387.465 1.323 50 0 GDAARM COC(=O)c1ccc2c(c1)[C@@H]1c3sc(=O)[nH]c3S[C@@H](C(=O)[O-])[C@@H]1C(=O)O2 ZINC000002707691 570506578 /nfs/dbraw/zinc/50/65/78/570506578.db2.gz OZSFXFHRKLQVDC-IQJOONFLSA-N -1 0 393.398 1.449 50 0 GDAARM CCS(=O)(=O)c1ccc(O)c([N-]S(=O)(=O)c2ccc(NC(C)=O)cc2)c1 ZINC000003349213 570606174 /nfs/dbraw/zinc/60/61/74/570606174.db2.gz MAZADBSAEOMOCR-UHFFFAOYSA-N -1 0 398.462 1.945 50 0 GDAARM O=C([O-])[C@@H]1CN(C(=O)c2ccc(=O)n(Cc3ccccc3Cl)c2)CCO1 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O=C([O-])c1cccc(CNS(=O)(=O)[C@H]2CCCN(C(=O)C3CCCC3)C2)c1 ZINC000681571789 605930626 /nfs/dbraw/zinc/93/06/26/605930626.db2.gz UETVWZGLZNXBCI-KRWDZBQOSA-N -1 0 394.493 1.985 50 0 GDAARM CC(C)c1nn(C)c2sc(C(=O)N3CCS(=O)(=O)C[C@@H]3C(=O)[O-])cc12 ZINC000643432074 653582524 /nfs/dbraw/zinc/58/25/24/653582524.db2.gz GGISQLZODYMUOB-SNVBAGLBSA-N -1 0 385.467 1.082 50 0 GDAARM NC(=O)CN1CCC(NC(=O)c2cccc(-c3ccc(C(=O)[O-])cn3)c2)CC1 ZINC000426415274 231217728 /nfs/dbraw/zinc/21/77/28/231217728.db2.gz GBXAOEUUFHRNOO-UHFFFAOYSA-N -1 0 382.420 1.126 50 0 GDAARM COC(=O)c1sccc1S(=O)(=O)[N-]c1cccc(-n2cnnn2)c1C ZINC000012584054 530556948 /nfs/dbraw/zinc/55/69/48/530556948.db2.gz FJCWIMQUIJQUKB-UHFFFAOYSA-N -1 0 379.423 1.620 50 0 GDAARM C[C@H](SCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1)C(=O)[O-] ZINC000012978187 530557500 /nfs/dbraw/zinc/55/75/00/530557500.db2.gz YKJKBYQHTGEEDG-LBPRGKRZSA-N -1 0 375.468 1.293 50 0 GDAARM NC(=O)c1ccc(S(=O)(=O)N[C@@H](CC(=O)[O-])c2ccccc2Cl)cc1 ZINC000013239599 530558263 /nfs/dbraw/zinc/55/82/63/530558263.db2.gz UGTWCVMYTSKOER-AWEZNQCLSA-N -1 0 382.825 1.933 50 0 GDAARM O=C([O-])[C@@H](Cc1ccccc1)NC(=O)CNC(=O)c1ccc(Br)o1 ZINC000014119215 530559702 /nfs/dbraw/zinc/55/97/02/530559702.db2.gz XAGSTDYQNDIVKC-LLVKDONJSA-N -1 0 395.209 1.584 50 0 GDAARM CCc1cc(OS(=O)(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)ccc1Cl ZINC000072314034 530806026 /nfs/dbraw/zinc/80/60/26/530806026.db2.gz JINCNSWKPWIIIE-UHFFFAOYSA-N -1 0 381.797 1.595 50 0 GDAARM Cc1c(Cl)cccc1NS(=O)(=O)c1ccc2c(c1)C(=O)[N-]S2(=O)=O ZINC000253425231 531091758 /nfs/dbraw/zinc/09/17/58/531091758.db2.gz RHJPESMNPGEVIS-UHFFFAOYSA-N -1 0 386.838 1.881 50 0 GDAARM Cc1nc(S(=O)(=O)[N-][C@@H]2CCC(=O)N[C@H]2C2CC2)sc1Br ZINC000375141104 532149093 /nfs/dbraw/zinc/14/90/93/532149093.db2.gz GNZRBXOBOCCSFE-SCZZXKLOSA-N -1 0 394.316 1.550 50 0 GDAARM CCn1cc([N-]S(=O)(=O)c2cn(C)nc2C)c(C(=O)NCc2ccco2)n1 ZINC000002804874 203964195 /nfs/dbraw/zinc/96/41/95/203964195.db2.gz QYNAZKXSVWMEAI-UHFFFAOYSA-N -1 0 392.441 1.269 50 0 GDAARM O=C([O-])CCCNC(=O)/C(=C\c1ccc2c(c1)OCO2)NC(=O)c1ccco1 ZINC000002948714 203976822 /nfs/dbraw/zinc/97/68/22/203976822.db2.gz HENVUSVJVSGYIA-UKTHLTGXSA-N -1 0 386.360 1.760 50 0 GDAARM COC(=O)c1[n-]n(-c2ccccc2C)c2c(O)n(-c3ccccc3OC)c(=O)c1-2 ZINC000004370906 204042013 /nfs/dbraw/zinc/04/20/13/204042013.db2.gz LCTATXQGCXSOOD-FUHWJXTLSA-N -1 0 393.399 1.911 50 0 GDAARM CCOC(=O)c1[n-]n(N=O)c2c(O)n(-c3cccc(Br)c3)c(=O)c1-2 ZINC000005091235 204109649 /nfs/dbraw/zinc/10/96/49/204109649.db2.gz VZVCITHZRSWHNL-ONGXEEELSA-N -1 0 395.169 1.223 50 0 GDAARM CCOC(=O)[C@@H]1[C@@H](c2ccc(C(=O)[O-])cc2)NC(=O)N[C@]1(O)C(F)(F)F ZINC000005952922 204158831 /nfs/dbraw/zinc/15/88/31/204158831.db2.gz NSYSPZQPINRYSS-IMSIIYSGSA-N -1 0 376.287 1.169 50 0 GDAARM COc1ccc(OC)c(S(=O)(=O)[N-]c2ccc3c(c2)n(C)c(=O)n3C)c1 ZINC000006784637 204204457 /nfs/dbraw/zinc/20/44/57/204204457.db2.gz WNMVLADRBDMVKA-UHFFFAOYSA-N -1 0 377.422 1.695 50 0 GDAARM COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N[C@H](C(=O)[O-])C(C)C)C2)cc1 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/nfs/dbraw/zinc/82/27/87/570822787.db2.gz GRFHOKZUJLSUQZ-DLBZAZTESA-N -1 0 394.387 1.975 50 0 GDAARM CC(=O)N1N=C(c2c(=O)[nH]c(=O)n(C3CCCCC3)c2[O-])C[C@H]1c1cccnc1 ZINC000101456537 570824027 /nfs/dbraw/zinc/82/40/27/570824027.db2.gz VDZHARDHVVWRHV-INIZCTEOSA-N -1 0 397.435 1.840 50 0 GDAARM COc1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)NCC(=O)[O-])cc1OC ZINC000003202840 570837183 /nfs/dbraw/zinc/83/71/83/570837183.db2.gz WYVMIPCCWQRISB-GDNBJRDFSA-N -1 0 384.388 1.676 50 0 GDAARM O=C([O-])[C@@H]1CC=CC[C@H]1C(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000017080996 570941345 /nfs/dbraw/zinc/94/13/45/570941345.db2.gz SVOYWBLIGDOYIE-HZPDHXFCSA-N -1 0 396.440 1.326 50 0 GDAARM CCc1cc(=O)oc2cc(C)cc(OCC(=O)N[C@@H](CSC)C(=O)[O-])c12 ZINC000002114508 570952337 /nfs/dbraw/zinc/95/23/37/570952337.db2.gz FLHHMFLLLMPNGY-LBPRGKRZSA-N -1 0 379.434 1.975 50 0 biogenic GDAARM CC[C@@H](C)[C@H](NC(=O)[C@H](C(C)C)n1c(=O)[nH]c2ccccc2c1=O)C(=O)[O-] ZINC000002131608 570962014 /nfs/dbraw/zinc/96/20/14/570962014.db2.gz 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Cc1nn2cc(Br)cnc2c1S(=O)(=O)[N-]C(=O)[C@H]1CC1(F)F ZINC000585114122 652084399 /nfs/dbraw/zinc/08/43/99/652084399.db2.gz FQCNUAVUAHPVNO-SSDOTTSWSA-N -1 0 395.185 1.260 50 0 GDAARM CO[C@@](C)(C(=O)[O-])C(=O)N[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000663050630 654319188 /nfs/dbraw/zinc/31/91/88/654319188.db2.gz SCURQXQIBIZIMC-XHDPSFHLSA-N -1 0 375.208 1.705 50 0 GDAARM CO[C@@]1(C)C[C@H]1NC(=O)C1CCN(S(=O)(=O)c2ccccc2C(=O)[O-])CC1 ZINC000659232886 975842249 /nfs/dbraw/zinc/84/22/49/975842249.db2.gz QLYWLDIIYOJATG-QAPCUYQASA-N -1 0 396.465 1.079 50 0 GDAARM CCn1c(SCc2nc(=O)c3sccc3[n-]2)nnc1N1CCOCC1 ZINC000012771527 530556874 /nfs/dbraw/zinc/55/68/74/530556874.db2.gz MKEJEMJRQQIFCC-UHFFFAOYSA-N -1 0 378.483 1.725 50 0 GDAARM CN(C)S(=O)(=O)c1ccc(S(=O)(=O)[N-]c2ccc3c[nH]nc3c2)cc1 ZINC000012539256 530556923 /nfs/dbraw/zinc/55/69/23/530556923.db2.gz YSIJKDLXMDKYDR-UHFFFAOYSA-N -1 0 380.451 1.614 50 0 GDAARM Cc1cc(S(=O)(=O)CCO)ccc1[N-]S(=O)(=O)C[C@H]1CCCCO1 ZINC000170615762 530586905 /nfs/dbraw/zinc/58/69/05/530586905.db2.gz BCMQERCWCNLCSK-CYBMUJFWSA-N -1 0 377.484 1.072 50 0 GDAARM CC(C)N1CCN(S(=O)(=O)c2ccc(C(=O)[O-])cc2Br)CC1 ZINC000236828041 531040229 /nfs/dbraw/zinc/04/02/29/531040229.db2.gz XKJAGJFOHWOPBG-UHFFFAOYSA-N -1 0 391.287 1.862 50 0 GDAARM COc1cc(Br)c(S(=O)(=O)N2CC[C@H](C(=O)[O-])C2)cc1OC ZINC000299741863 203821595 /nfs/dbraw/zinc/82/15/95/203821595.db2.gz HIWLKARHKLCRQS-QMMMGPOBSA-N -1 0 394.243 1.562 50 0 GDAARM Cc1cccc(N2C[C@@H](C)Cn3c4c(nc32)n(C)c(=O)n(CC(=O)[O-])c4=O)c1 ZINC000004370761 204041798 /nfs/dbraw/zinc/04/17/98/204041798.db2.gz XXUKUHBWFSWKOX-GFCCVEGCSA-N -1 0 383.408 1.078 50 0 GDAARM CCOC(=O)[C@H](CCc1ccccc1)N[C@H](C)C(=O)N1CCC[C@H]1C(=O)[O-] ZINC000003957109 204022613 /nfs/dbraw/zinc/02/26/13/204022613.db2.gz GBXSMTUPTTWBMN-PVAVHDDUSA-N -1 0 376.453 1.605 50 0 GDAARM O=C([O-])CCCC(=O)c1ccc2c(c1)OCCOCCOCCOCCO2 ZINC000004141489 204029536 /nfs/dbraw/zinc/02/95/36/204029536.db2.gz MSWTZSPHJKFYHM-UHFFFAOYSA-N -1 0 382.409 1.945 50 0 GDAARM COc1cccc(-c2nc3c([nH]c(=O)n3-c3ccccc3)c(C(N)=O)n2)c1[O-] ZINC000004176074 204030861 /nfs/dbraw/zinc/03/08/61/204030861.db2.gz OEBFXOSKZZPJJM-UHFFFAOYSA-N -1 0 377.360 1.589 50 0 GDAARM COc1ccc(C(=O)O[C@H](C)C(N)=O)cc1S(=O)(=O)[N-]c1ccc(C)cc1 ZINC000004286533 204036058 /nfs/dbraw/zinc/03/60/58/204036058.db2.gz NLWWUCWEHUBCGJ-GFCCVEGCSA-N -1 0 392.433 1.835 50 0 GDAARM COc1cc([N-]S(=O)(=O)c2ccc(NC(=O)c3cccnc3)cc2)ncn1 ZINC000004750338 204072913 /nfs/dbraw/zinc/07/29/13/204072913.db2.gz VMNSUFWBNHMNOS-UHFFFAOYSA-N -1 0 385.405 1.933 50 0 GDAARM Cc1ccc(C(=O)N/C(=C\c2ccc3c(c2)OCO3)C(=O)NCC(=O)[O-])cc1 ZINC000004950246 204095937 /nfs/dbraw/zinc/09/59/37/204095937.db2.gz VAOZWXZCKJNKEA-NVNXTCNLSA-N -1 0 382.372 1.695 50 0 GDAARM COc1ccc([N-]S(=O)(=O)c2c(C)nc3sccn3c2=O)c(OC)c1 ZINC000006859812 204215839 /nfs/dbraw/zinc/21/58/39/204215839.db2.gz FUZFCYAQYMSZEN-UHFFFAOYSA-N -1 0 381.435 1.882 50 0 GDAARM CN(Cc1ccsc1)C(=O)COC(=O)c1ccccc1[N-]S(C)(=O)=O ZINC000007026717 204231104 /nfs/dbraw/zinc/23/11/04/204231104.db2.gz RVETWSMYRSQLMJ-UHFFFAOYSA-N -1 0 382.463 1.935 50 0 GDAARM Cc1nc2cc(NC(=O)Cn3[n-]c(=O)ccc3=O)ccc2n1-c1ccccc1 ZINC000009467770 204313101 /nfs/dbraw/zinc/31/31/01/204313101.db2.gz VSAQXGCHIRPAFP-UHFFFAOYSA-N -1 0 375.388 1.823 50 0 GDAARM Cc1ccc(C(=O)N2CCC[C@H]2C(=O)[O-])cc1S(=O)(=O)N1CCCCC1 ZINC000009646805 204318461 /nfs/dbraw/zinc/31/84/61/204318461.db2.gz XSAZVXSHXSTDKL-HNNXBMFYSA-N -1 0 380.466 1.859 50 0 GDAARM Cc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1ccccc1NS(C)(=O)=O ZINC000036833153 204333398 /nfs/dbraw/zinc/33/33/98/204333398.db2.gz LPMHLRYNUOXLTF-UHFFFAOYSA-N -1 0 384.435 1.866 50 0 GDAARM CC(C)(C)c1ccc(S(=O)(=O)N2CCN(C(=O)/C=C/C(=O)[O-])CC2)cc1 ZINC000017077767 204606781 /nfs/dbraw/zinc/60/67/81/204606781.db2.gz AEAFSGVMLBRMJX-CMDGGOBGSA-N -1 0 380.466 1.458 50 0 GDAARM CC(C)Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCC(=O)[O-])CC2)cc1 ZINC000017078096 204607084 /nfs/dbraw/zinc/60/70/84/204607084.db2.gz WYAKRMCGKSCGDY-UHFFFAOYSA-N -1 0 382.482 1.583 50 0 GDAARM Cc1csc(NC(=O)CSc2nnnn2-c2ccc(C(=O)[O-])cc2)n1 ZINC000019853733 204689418 /nfs/dbraw/zinc/68/94/18/204689418.db2.gz ZKVAAUYXWHXNBT-UHFFFAOYSA-N -1 0 376.423 1.856 50 0 GDAARM O=C([O-])Cn1cnc(I)c1I ZINC000036047661 205004205 /nfs/dbraw/zinc/00/42/05/205004205.db2.gz ZMSUNOJQTWFHCI-UHFFFAOYSA-N -1 0 377.907 1.177 50 0 GDAARM CCSc1nnc([N-]C(=O)c2coc(NC(=O)c3cnccn3)n2)s1 ZINC000077099941 205032103 /nfs/dbraw/zinc/03/21/03/205032103.db2.gz UJQJQCBFXIJXSM-UHFFFAOYSA-N -1 0 377.411 1.933 50 0 GDAARM NC(=O)c1cc(C(=O)N2[C@@H]3CCCC[C@@H]3C[C@H]2C(=O)[O-])nn1-c1ccccc1 ZINC000299747714 205098829 /nfs/dbraw/zinc/09/88/29/205098829.db2.gz DUBJLJRJCPQXAS-VMGRFDJRSA-N -1 0 382.420 1.829 50 0 GDAARM Cc1c(C(=O)N2CCO[C@@H](C(=O)[O-])C2)cnn1-c1ccc(C(F)(F)F)cn1 ZINC000299752754 205106771 /nfs/dbraw/zinc/10/67/71/205106771.db2.gz VILOPMUVQGRHRW-GFCCVEGCSA-N -1 0 384.314 1.520 50 0 GDAARM O=C([O-])CN(C(=O)COc1cccc(N2CCCC2=O)c1)C1CCOCC1 ZINC000299749374 205102755 /nfs/dbraw/zinc/10/27/55/205102755.db2.gz KCZBHMIZBHPMAA-UHFFFAOYSA-N -1 0 376.409 1.284 50 0 GDAARM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]c1cccc([C@]2(C)NC(=O)NC2=O)c1 ZINC000055594136 205151198 /nfs/dbraw/zinc/15/11/98/205151198.db2.gz BALLNWAQTSENBT-HNNXBMFYSA-N -1 0 397.844 1.237 50 0 GDAARM COC(=O)c1cc(S(=O)(=O)[N-]c2cc(OC)c(OC)c(OC)c2)c(C)n1C ZINC000064923013 205200665 /nfs/dbraw/zinc/20/06/65/205200665.db2.gz OHBKUYNMFJCVHQ-UHFFFAOYSA-N -1 0 398.437 1.947 50 0 GDAARM C[C@@H](C(=O)N1CCc2c(c(C(=O)[O-])nn2CCO)C1)n1cnc2ccccc21 ZINC000067562239 205249062 /nfs/dbraw/zinc/24/90/62/205249062.db2.gz WITXXLJWMHCHGX-LBPRGKRZSA-N -1 0 383.408 1.069 50 0 GDAARM O=C([O-])c1nn(CCO)c2c1CN(C(=O)C1(c3ccccc3)CCCC1)CC2 ZINC000067648933 205253217 /nfs/dbraw/zinc/25/32/17/205253217.db2.gz SKSCQRNXYUAWFP-UHFFFAOYSA-N -1 0 383.448 1.970 50 0 GDAARM O=C(Cc1cc(=O)[nH][n-]c1=O)N1CC[C@@H](c2ccc3ccccc3c2)[C@H](O)C1 ZINC000067908650 205265597 /nfs/dbraw/zinc/26/55/97/205265597.db2.gz VNWVKGPUIYCTAV-ZWKOTPCHSA-N -1 0 379.416 1.548 50 0 GDAARM COCCNS(=O)(=O)c1cc(C(=O)[O-])cc(-c2ccc(N(C)C)nc2)c1 ZINC000071419163 205283426 /nfs/dbraw/zinc/28/34/26/205283426.db2.gz BVKSRDVGEWACJD-UHFFFAOYSA-N -1 0 379.438 1.438 50 0 GDAARM CC(C)[C@H]1CN(C(=O)Cc2n[nH]c(=O)[n-]2)CCC(=O)N1Cc1ccc(F)cc1 ZINC000071499015 205284628 /nfs/dbraw/zinc/28/46/28/205284628.db2.gz HCUARZWOMGGAOG-OAHLLOKOSA-N -1 0 389.431 1.065 50 0 GDAARM COCCNS(=O)(=O)c1cc(C(=O)[O-])cc(-c2ccc(OC)cc2OC)c1 ZINC000071759726 205292826 /nfs/dbraw/zinc/29/28/26/205292826.db2.gz PFNBNRRGKAUAJX-UHFFFAOYSA-N -1 0 395.433 1.994 50 0 GDAARM Cc1nn(-c2ccccn2)c(N)c1[C@@H]1CC(=O)N(c2ccc(C(=O)[O-])cc2)C1=O ZINC000071284460 205279568 /nfs/dbraw/zinc/27/95/68/205279568.db2.gz ZRBYIYDVCCDAPA-AWEZNQCLSA-N -1 0 391.387 1.903 50 0 GDAARM COc1ccc(NC(=O)[C@H]2[C@@H](C(=O)[O-])C2(C)C)cc1N1CCCS1(=O)=O ZINC000071284206 205279673 /nfs/dbraw/zinc/27/96/73/205279673.db2.gz GUSMQFWZJSHTFT-KGLIPLIRSA-N -1 0 382.438 1.530 50 0 GDAARM Cc1n[nH]c(CCC(=O)N2C[C@@H](C(=O)[O-])C[C@H](C(=O)N3CCCC3)C2)c1C ZINC000072144621 205310449 /nfs/dbraw/zinc/31/04/49/205310449.db2.gz YKLYGPQSVRZNGM-GJZGRUSLSA-N -1 0 376.457 1.131 50 0 GDAARM CC(C)SCC(=O)N1C[C@@H](C(=O)[O-])C[C@H](C(=O)NCc2cccnc2)C1 ZINC000072143659 205311066 /nfs/dbraw/zinc/31/10/66/205311066.db2.gz XSXSTWDBOIZICL-GJZGRUSLSA-N -1 0 379.482 1.389 50 0 GDAARM COc1ccccc1OCC(=O)N1CC2(C[C@H]1C(=O)[O-])CCN(C(C)=O)CC2 ZINC000072422265 205349270 /nfs/dbraw/zinc/34/92/70/205349270.db2.gz RYZZFIMCBGIQDQ-HNNXBMFYSA-N -1 0 390.436 1.388 50 0 GDAARM O=C([O-])Cn1nc(COc2ccc(F)cc2)nc1CN1CCCCCC1=O ZINC000097732458 205596382 /nfs/dbraw/zinc/59/63/82/205596382.db2.gz CJGWLAIVYBHPCL-UHFFFAOYSA-N -1 0 376.388 1.983 50 0 GDAARM Nc1nc(SCC(=O)Nc2nccs2)[n-]c(=O)c1NC(=O)c1ccco1 ZINC000002712544 205720185 /nfs/dbraw/zinc/72/01/85/205720185.db2.gz CAAWOQJMTCNHIV-UHFFFAOYSA-N -1 0 392.422 1.385 50 0 GDAARM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2nc3ccccc3n3nnnc23)cc1 ZINC000003195946 205724023 /nfs/dbraw/zinc/72/40/23/205724023.db2.gz KJHJWRFNIPKJOT-UHFFFAOYSA-N -1 0 383.393 1.432 50 0 GDAARM Cc1ccc(O[C@H]2CCCN(S(=O)(=O)c3ccc(F)c(C(=O)[O-])c3)C2)nn1 ZINC000225467402 206049742 /nfs/dbraw/zinc/04/97/42/206049742.db2.gz OYBXJYLIWKNYTC-LBPRGKRZSA-N -1 0 395.412 1.854 50 0 GDAARM CCN1C(=O)c2cccc3c(S(=O)(=O)NCCCC(=O)[O-])ccc(c32)C1=O ZINC000094993261 206214023 /nfs/dbraw/zinc/21/40/23/206214023.db2.gz NVYZCVMOIICWQC-UHFFFAOYSA-N -1 0 390.417 1.599 50 0 GDAARM COc1ccc(-n2ncc(C(=O)N3CCC(C(=O)[O-])CC3)c2C(F)(F)F)nn1 ZINC000408526084 533219708 /nfs/dbraw/zinc/21/97/08/533219708.db2.gz QKJPEOJLRCEXCA-UHFFFAOYSA-N -1 0 399.329 1.627 50 0 GDAARM Cc1ccccc1S(=O)(=O)Nc1cnc(N2CCOCC2)c(C(=O)[O-])c1 ZINC000064843435 136158031 /nfs/dbraw/zinc/15/80/31/136158031.db2.gz ARPBFMGGVDJUHN-UHFFFAOYSA-N -1 0 377.422 1.726 50 0 GDAARM Cc1[nH]c2ccccc2c1CC(=O)N1CCN(c2ncccn2)C[C@@H]1C(=O)[O-] ZINC000071715096 136165687 /nfs/dbraw/zinc/16/56/87/136165687.db2.gz HMSPTOPIRUXHCD-QGZVFWFLSA-N -1 0 379.420 1.611 50 0 GDAARM COc1ccc(C(=O)[O-])cc1S(=O)(=O)N1CC(=O)N(C)c2ccccc21 ZINC000089385770 136175553 /nfs/dbraw/zinc/17/55/53/136175553.db2.gz CDTLMBCDFJSEPM-UHFFFAOYSA-N -1 0 376.390 1.565 50 0 GDAARM CCS(=O)(=O)N1CCCc2cc([N-]S(=O)(=O)c3cn(C)cn3)ccc21 ZINC000096025632 136183355 /nfs/dbraw/zinc/18/33/55/136183355.db2.gz NUCBQJFMVIPKAA-UHFFFAOYSA-N -1 0 384.483 1.323 50 0 GDAARM O=C([O-])/C=C\c1ccc(S(=O)(=O)Nc2ccc(N3CCOCC3)nc2)cc1 ZINC000096936123 136187953 /nfs/dbraw/zinc/18/79/53/136187953.db2.gz LEZZEYFNLUSAIU-BAQGIRSFSA-N -1 0 389.433 1.817 50 0 GDAARM O=C([O-])c1ccc(N2C(=O)C[C@H](N3CCN(c4ccccc4)CC3)C2=O)cc1 ZINC000100050766 136188913 /nfs/dbraw/zinc/18/89/13/136188913.db2.gz KZQSSDATSUZMMO-SFHVURJKSA-N -1 0 379.416 1.839 50 0 GDAARM O=C([O-])[C@H](Cc1ccccc1)NC(=O)CNC(=O)N1CC(=O)Nc2ccccc21 ZINC000008995040 136195839 /nfs/dbraw/zinc/19/58/39/136195839.db2.gz IBTJOOKSKXYREZ-HNNXBMFYSA-N -1 0 396.403 1.616 50 0 biogenic GDAARM Cc1ccc([C@]2(C)NC(=O)N(CC(=O)NC(C)(C)CCC(=O)[O-])C2=O)cc1 ZINC000269183389 526051568 /nfs/dbraw/zinc/05/15/68/526051568.db2.gz MARGHDUMTRMXLT-IBGZPJMESA-N -1 0 375.425 1.522 50 0 GDAARM COc1ccccc1NC(=O)Cn1[nH][n-]c2c(=O)n(-c3ccc(F)cc3)c(=O)c1=2 ZINC000100028410 570264770 /nfs/dbraw/zinc/26/47/70/570264770.db2.gz KGBKJAVMYCRSJK-IRXDYDNUSA-N -1 0 397.366 1.766 50 0 GDAARM COc1ccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4ccccc4)c(=O)c2=3)cc1 ZINC000100033349 570265406 /nfs/dbraw/zinc/26/54/06/570265406.db2.gz TXWWMMXMZVDCPB-SJORKVTESA-N -1 0 379.376 1.627 50 0 GDAARM CCOC(=O)c1[n-]n(C(C)=O)c2c(O)n(-c3ccc(Cl)c(Cl)c3)c(=O)c1-2 ZINC000100165837 570313052 /nfs/dbraw/zinc/31/30/52/570313052.db2.gz OSFXDEQREWERSV-YPMHNXCESA-N -1 0 398.202 1.633 50 0 GDAARM Cn1nnc(-c2ccc(OCC(=O)N[C@@H](Cc3ccccc3)C(=O)[O-])cc2)n1 ZINC000218158897 570326547 /nfs/dbraw/zinc/32/65/47/570326547.db2.gz MAIRIBSLSDPRLR-INIZCTEOSA-N -1 0 381.392 1.068 50 0 GDAARM COC(=O)C[C@H](c1ccc(O)c(OC)c1)c1c(O)cc(C)n(CC(=O)[O-])c1=O ZINC000218046086 570418691 /nfs/dbraw/zinc/41/86/91/570418691.db2.gz VTAMUOAUEAEYOK-GFCCVEGCSA-N -1 0 391.376 1.356 50 0 biogenic GDAARM Cc1nc(CNC(=O)CC[C@@]2(CCC(=O)[O-])CCC(=O)N2)nc2c1CCCC2 ZINC000222673657 570419983 /nfs/dbraw/zinc/41/99/83/570419983.db2.gz PGJMTNZUTORZND-FQEVSTJZSA-N -1 0 388.468 1.574 50 0 GDAARM O=C([O-])CO[C@H]1CCOC[C@H]1NC(=O)c1csc(Cc2ccccc2)n1 ZINC000223436164 570466117 /nfs/dbraw/zinc/46/61/17/570466117.db2.gz BDGDHQWMLSNBSL-HIFRSBDPSA-N -1 0 376.434 1.722 50 0 GDAARM O=C([O-])[C@@H]1COCCN1C(=O)c1nc(C2CC2)n(-c2ccccc2Cl)n1 ZINC000268990907 570503887 /nfs/dbraw/zinc/50/38/87/570503887.db2.gz SKTLRKZCGTZZCU-ZDUSSCGKSA-N -1 0 376.800 1.724 50 0 GDAARM O=C([O-])CCN(C(=O)[C@H]1CC(=O)N(c2ccc(F)cc2F)C1)C1CCOCC1 ZINC000371290364 570684225 /nfs/dbraw/zinc/68/42/25/570684225.db2.gz UGQXYJQTJVGQAC-LBPRGKRZSA-N -1 0 396.390 1.800 50 0 GDAARM O=C([O-])C1(NC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)CCCCC1 ZINC000012979788 570735413 /nfs/dbraw/zinc/73/54/13/570735413.db2.gz SWWZWJFZXWNTLF-UHFFFAOYSA-N -1 0 380.466 1.988 50 0 GDAARM COC(=O)c1ccc(S(=O)(=O)[N-]c2cc(S(N)(=O)=O)cc(C)c2C)cc1 ZINC000012556998 570859212 /nfs/dbraw/zinc/85/92/12/570859212.db2.gz NRBSKNABHWBAMG-UHFFFAOYSA-N -1 0 398.462 1.538 50 0 GDAARM O=C(Cc1cccc2cccnc21)[N-]S(=O)(=O)c1cccc(-n2cnnn2)c1 ZINC000089807957 570915817 /nfs/dbraw/zinc/91/58/17/570915817.db2.gz IJWUPDHEWYWMTN-UHFFFAOYSA-N -1 0 394.416 1.258 50 0 GDAARM O=C([O-])c1ccc(NC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)cc1 ZINC000001234534 570931527 /nfs/dbraw/zinc/93/15/27/570931527.db2.gz CGXLIZCAKSKYQP-UHFFFAOYSA-N -1 0 390.417 1.658 50 0 GDAARM COc1ccc(NS(=O)(=O)c2ccc3c(c2)S(=O)(=O)[N-]C=N3)cc1OC ZINC000015682358 571045425 /nfs/dbraw/zinc/04/54/25/571045425.db2.gz QPRBCTMHHXDODX-UHFFFAOYSA-N -1 0 397.434 1.456 50 0 GDAARM CC(C)Nc1ncc(C(=O)N2C[C@@H]3c4ccccc4OC[C@]3(C(=O)[O-])C2)cn1 ZINC000095531798 571093431 /nfs/dbraw/zinc/09/34/31/571093431.db2.gz HVVYWAPUPVHIAT-FOIQADDNSA-N -1 0 382.420 2.000 50 0 GDAARM Cc1cc(C(=O)N[C@@H](Cc2ccccc2)C(=O)[O-])cc(S(N)(=O)=O)c1C ZINC000095349121 599761514 /nfs/dbraw/zinc/76/15/14/599761514.db2.gz HUQXMHQLRVEZRM-HNNXBMFYSA-N -1 0 376.434 1.377 50 0 GDAARM C[C@@H]1Oc2ccccc2N(CCC(=O)N(CCC(=O)[O-])C[C@@H]2CCCO2)C1=O ZINC000299749530 600485710 /nfs/dbraw/zinc/48/57/10/600485710.db2.gz KPVSOKDOYKIIES-GJZGRUSLSA-N -1 0 390.436 1.673 50 0 GDAARM COc1ccc(-c2noc(CCC(=O)N3CCO[C@@H](CC(=O)[O-])C3)n2)cc1 ZINC000095425492 601671378 /nfs/dbraw/zinc/67/13/78/601671378.db2.gz MJTDZGXMDJJSRS-AWEZNQCLSA-N -1 0 375.381 1.380 50 0 GDAARM COc1ccc([C@H](CC(=O)[O-])NC(=O)CN2CCCCCC2=O)cc1OC ZINC000262352408 604664882 /nfs/dbraw/zinc/66/48/82/604664882.db2.gz GEFIAEZIGSVTJK-AWEZNQCLSA-N -1 0 378.425 1.738 50 0 GDAARM Cc1cccc(S(=O)(=O)[N-]c2cc(C(N)=O)ccc2S(N)(=O)=O)c1F ZINC000328593952 645271109 /nfs/dbraw/zinc/27/11/09/645271109.db2.gz DGHQPWNVFIOIOV-UHFFFAOYSA-N -1 0 387.414 1.466 50 0 GDAARM Cc1nc(Cn2nnc([N-]S(=O)(=O)c3ccc(Cl)cc3F)c2C)no1 ZINC000328590495 645271303 /nfs/dbraw/zinc/27/13/03/645271303.db2.gz CUTVUEVMSMNVLK-UHFFFAOYSA-N -1 0 386.796 1.920 50 0 GDAARM CN1CCN(C(=O)Cc2ccc(NC(=O)[C@H](C(=O)[O-])C3CCCC3)cc2)CC1 ZINC000663100726 939854735 /nfs/dbraw/zinc/85/47/35/939854735.db2.gz FWGNMEVDNZJPDL-LJQANCHMSA-N -1 0 387.480 1.833 50 0 GDAARM COc1ccc(CNC(=O)CN2c3ccccc3O[C@@H](C)C2=O)cc1C(=O)[O-] ZINC000299744778 962939786 /nfs/dbraw/zinc/93/97/86/962939786.db2.gz PVGVTHJBDPJQCY-LBPRGKRZSA-N -1 0 384.388 1.824 50 0 GDAARM Cc1ccccc1O[C@@H](C)C(=O)N1CCN(C(=O)c2cnc(C(=O)[O-])cn2)CC1 ZINC000568510902 968438232 /nfs/dbraw/zinc/43/82/32/968438232.db2.gz HQBYLCHMVKJWAJ-AWEZNQCLSA-N -1 0 398.419 1.235 50 0 GDAARM CC(=O)Nc1ccc(S(=O)(=O)NC[C@@H](CCC(=O)[O-])C(F)(F)F)cc1 ZINC000002451582 530531884 /nfs/dbraw/zinc/53/18/84/530531884.db2.gz QRLTYMHMFJVYPV-SNVBAGLBSA-N -1 0 382.360 1.967 50 0 GDAARM CCS(=O)(=O)c1ncc(Cl)c(C(=O)[N-]c2nnc(SC)s2)n1 ZINC000016750696 530565128 /nfs/dbraw/zinc/56/51/28/530565128.db2.gz XMKAUYAUTILXBK-UHFFFAOYSA-N -1 0 379.876 1.749 50 0 GDAARM Cn1c2nc(Nc3cccc(Cl)c3Cl)n(CC(=O)[O-])c2c(=O)[nH]c1=O ZINC000017144408 530566170 /nfs/dbraw/zinc/56/61/70/530566170.db2.gz CDEZLYPBTGCLTP-UHFFFAOYSA-N -1 0 384.179 1.558 50 0 GDAARM O=C([O-])[C@H]1CCCN1C(=O)CS(=O)(=O)Cc1cccc(Br)c1 ZINC000262064081 531107071 /nfs/dbraw/zinc/10/70/71/531107071.db2.gz ARCILMODRGOPPI-GFCCVEGCSA-N -1 0 390.255 1.440 50 0 GDAARM O=C([O-])CN(Cc1ccc(C(F)(F)F)cc1)C(=O)CN1CSCC1=O ZINC000268891395 531583084 /nfs/dbraw/zinc/58/30/84/531583084.db2.gz KWEGOSPFVYSUFQ-UHFFFAOYSA-N -1 0 376.356 1.652 50 0 GDAARM NS(=O)(=O)c1ccc(Br)c(C(=O)N2CCC[C@@H](C(=O)[O-])C2)c1 ZINC000299373294 531983710 /nfs/dbraw/zinc/98/37/10/531983710.db2.gz FDJZIXGPFGZBFE-MRVPVSSYSA-N -1 0 391.243 1.033 50 0 GDAARM Cc1c(Cl)cccc1N1CCn2c1nc1c2c(=O)n(CC(=O)[O-])c(=O)n1C ZINC000004370788 204041592 /nfs/dbraw/zinc/04/15/92/204041592.db2.gz XPVFPSRQUOFSPF-UHFFFAOYSA-N -1 0 389.799 1.095 50 0 GDAARM Cc1nc2sccn2c(=O)c1S(=O)(=O)[N-]c1ccc2c(c1)OCCO2 ZINC000006859794 204216489 /nfs/dbraw/zinc/21/64/89/204216489.db2.gz NOUZBDAAQKXNFW-UHFFFAOYSA-N -1 0 379.419 1.636 50 0 GDAARM COc1ccc(C)cc1[N-]S(=O)(=O)c1cc2[nH]c(=O)c(=O)[nH]c2cc1C ZINC000006887364 204220133 /nfs/dbraw/zinc/22/01/33/204220133.db2.gz BMNBDCGCCYYYRV-UHFFFAOYSA-N -1 0 375.406 1.643 50 0 GDAARM CC(=O)N1CCN(Cn2nc(-c3ccc(C)cc3)n(CC(=O)[O-])c2=S)CC1 ZINC000006934097 204224888 /nfs/dbraw/zinc/22/48/88/204224888.db2.gz MNGXEDFQAAWQJO-UHFFFAOYSA-N -1 0 389.481 1.596 50 0 GDAARM Cc1n[n-]c(SCC(=O)N2CCN(c3cccc(Cl)c3)CC2)nc1=O ZINC000008717031 204286512 /nfs/dbraw/zinc/28/65/12/204286512.db2.gz BYXPPOHLRMBRDZ-UHFFFAOYSA-N -1 0 379.873 1.568 50 0 GDAARM COc1cc2c(cc1OC)CN(S(=O)(=O)c1ccc(O)c(C(=O)[O-])c1)CC2 ZINC000009459883 204312411 /nfs/dbraw/zinc/31/24/11/204312411.db2.gz GJTQBBUCQLVOJV-UHFFFAOYSA-N -1 0 393.417 1.855 50 0 GDAARM NC(=O)c1nnn(-c2ccc([N-]S(=O)(=O)c3ccc(Cl)s3)cc2)n1 ZINC000070999702 205024653 /nfs/dbraw/zinc/02/46/53/205024653.db2.gz XBTOXUGSAJQAMF-UHFFFAOYSA-N -1 0 384.830 1.277 50 0 GDAARM C[C@@]1(CCc2ccccc2)NC(=O)N([N-]C(=O)c2cn3cccnc3n2)C1=O ZINC000040152728 205059709 /nfs/dbraw/zinc/05/97/09/205059709.db2.gz SFXSTIIGSUXMQE-IBGZPJMESA-N -1 0 378.392 1.317 50 0 GDAARM CN1C(=O)N(CC(=O)N[C@@H](Cc2ccccc2)C(=O)[O-])C(=O)C12CCCCC2 ZINC000299744136 205098001 /nfs/dbraw/zinc/09/80/01/205098001.db2.gz RDVWJJQHOFSUSJ-HNNXBMFYSA-N -1 0 387.436 1.395 50 0 GDAARM O=C([O-])[C@H]1CN(C(=O)C2(c3cccc(Br)c3)CCOCC2)CCO1 ZINC000299747870 205098813 /nfs/dbraw/zinc/09/88/13/205098813.db2.gz FLAXRZSCEKSZCM-CQSZACIVSA-N -1 0 398.253 1.809 50 0 GDAARM COc1ccc(C(=O)NCCC(=O)N[C@H](CCSC)C(=O)[O-])cc1OC ZINC000041157886 205078067 /nfs/dbraw/zinc/07/80/67/205078067.db2.gz QSWAPTUFPSPMQX-GFCCVEGCSA-N -1 0 384.454 1.146 50 0 GDAARM O=C([O-])[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)CCN1C(=O)NC2(CCCC2)C1=O ZINC000299752393 205105628 /nfs/dbraw/zinc/10/56/28/205105628.db2.gz TZJCJJFGLILFCW-RDBSUJKOSA-N -1 0 377.441 1.485 50 0 GDAARM O=C([O-])C[C@H](NC(=O)[C@H]1CC(=O)N(Cc2ccccn2)C1)c1ccc(F)cc1 ZINC000299751769 205106682 /nfs/dbraw/zinc/10/66/82/205106682.db2.gz RQLQIWZDKLHVJR-YOEHRIQHSA-N -1 0 385.395 1.901 50 0 GDAARM COCC(=O)Nc1ccc(N2CCCN(c3ncccn3)CC2)cc1C(=O)[O-] ZINC000064588960 205191672 /nfs/dbraw/zinc/19/16/72/205191672.db2.gz FINIWXWLKDHNOH-UHFFFAOYSA-N -1 0 385.424 1.476 50 0 GDAARM CCc1ccc(S(=O)(=O)N2CCC[C@@H](Cn3cc(C(=O)[O-])nn3)C2)cc1 ZINC000065403767 205233510 /nfs/dbraw/zinc/23/35/10/205233510.db2.gz BERLBCWGBSYWJH-AWEZNQCLSA-N -1 0 378.454 1.640 50 0 GDAARM CCn1cncc1Cn1c2cc(C(=O)[O-])cnc2n(CCc2ccccn2)c1=O ZINC000065470482 205234818 /nfs/dbraw/zinc/23/48/18/205234818.db2.gz MJWHOWOHTRRPKS-UHFFFAOYSA-N -1 0 392.419 1.799 50 0 GDAARM COCCNS(=O)(=O)c1cc(C(=O)[O-])cc(-c2cccc3ccnn32)c1 ZINC000071715025 205286747 /nfs/dbraw/zinc/28/67/47/205286747.db2.gz AYZGXQDPAVBPOA-UHFFFAOYSA-N -1 0 375.406 1.624 50 0 GDAARM COCCNS(=O)(=O)c1cc(C(=O)[O-])cc(-c2cc(OC)cc(OC)c2)c1 ZINC000071748663 205290278 /nfs/dbraw/zinc/29/02/78/205290278.db2.gz LTSSYWCXYJWSSR-UHFFFAOYSA-N -1 0 395.433 1.994 50 0 GDAARM CN1CCN(S(=O)(=O)c2cc(C(=O)[O-])cc(-c3ccc(O)cc3)c2)CC1 ZINC000071763949 205295651 /nfs/dbraw/zinc/29/56/51/205295651.db2.gz MVXORKOGNZFPMT-UHFFFAOYSA-N -1 0 376.434 1.694 50 0 GDAARM COC(=O)c1ccccc1S(=O)(=O)[N-]C(=O)[C@H]1COc2ccccc2C1 ZINC000069525741 205275973 /nfs/dbraw/zinc/27/59/73/205275973.db2.gz WJDBMRBVIFBCPZ-CYBMUJFWSA-N -1 0 375.402 1.529 50 0 GDAARM C[C@@H](NC(=O)c1cn(C(c2ccccc2)c2ccccc2)nn1)c1n[nH]c(=O)[n-]1 ZINC000072143404 205311397 /nfs/dbraw/zinc/31/13/97/205311397.db2.gz UUEACWHJWRJSLO-CYBMUJFWSA-N -1 0 389.419 1.818 50 0 GDAARM COc1ccccc1CNC(=O)CN1CCCn2nc(CCC(=O)[O-])cc2C1 ZINC000072432433 205351392 /nfs/dbraw/zinc/35/13/92/205351392.db2.gz GNUKSESBLSDDJL-UHFFFAOYSA-N -1 0 386.452 1.431 50 0 GDAARM Cc1cc([N-]S(=O)(=O)c2ccc3c(c2)CN(C(=O)[C@H]2CCCO2)CC3)no1 ZINC000077298198 205358032 /nfs/dbraw/zinc/35/80/32/205358032.db2.gz YBINKRWBMMTXJH-MRXNPFEDSA-N -1 0 391.449 1.848 50 0 GDAARM CC[C@H](C(=O)N1CCC2(CN(CCCC(=O)[O-])C(=O)O2)CC1)n1cccn1 ZINC000077391019 205360357 /nfs/dbraw/zinc/36/03/57/205360357.db2.gz SYQIZPITPXOQCF-CQSZACIVSA-N -1 0 378.429 1.512 50 0 GDAARM Cn1ncc(Cl)c1C(=O)N1C[C@H]2COc3ccccc3C[C@@]2(C(=O)[O-])C1 ZINC000095359482 205442474 /nfs/dbraw/zinc/44/24/74/205442474.db2.gz XXBGEZXPJMPPJR-KPZWWZAWSA-N -1 0 375.812 1.852 50 0 GDAARM CCN(CC)S(=O)(=O)c1ccc(CCC(=O)N2CC[C@](C)(C(=O)[O-])C2)cc1 ZINC000095970815 205510623 /nfs/dbraw/zinc/51/06/23/205510623.db2.gz LYUCBRCXFGYDHZ-IBGZPJMESA-N -1 0 396.509 1.973 50 0 GDAARM COc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4ccc(F)cc4)c=3c2=O)cc1 ZINC000101174370 205617343 /nfs/dbraw/zinc/61/73/43/205617343.db2.gz XTTZVFVWAKYSEO-IRXDYDNUSA-N -1 0 397.366 1.766 50 0 GDAARM O=C(Cn1[nH][n-]c2c(=O)n(-c3ccc(F)cc3)c(=O)c1=2)Nc1ccccc1F ZINC000101388066 205621216 /nfs/dbraw/zinc/62/12/16/205621216.db2.gz BNWHLZJCKRBPCG-JKSUJKDBSA-N -1 0 385.330 1.897 50 0 GDAARM Cc1cc(=O)c(O)c([C@@H](CC(=O)N2CCOCC2)c2ccc(C(=O)[O-])cc2)o1 ZINC000096116264 206117305 /nfs/dbraw/zinc/11/73/05/206117305.db2.gz DPHLORZYQYUTKZ-HNNXBMFYSA-N -1 0 387.388 1.733 50 0 biogenic GDAARM COc1cc(C(=O)N2CCO[C@H](C(=O)[O-])C2)ccc1OCc1c(C)noc1C ZINC000408513458 533522575 /nfs/dbraw/zinc/52/25/75/533522575.db2.gz PHTDGAQBTHUSIK-KRWDZBQOSA-N -1 0 390.392 1.805 50 0 GDAARM CN(CC1CCOCC1)c1ncc(C(C)(C)C(=O)[O-])c(N2CCOCC2)n1 ZINC000096150762 136184474 /nfs/dbraw/zinc/18/44/74/136184474.db2.gz PNQMKLKQRLPTHO-UHFFFAOYSA-N -1 0 378.473 1.538 50 0 GDAARM CC(=O)N[C@@H](CC(=O)N1CCO[C@@H](C(=O)[O-])C1)c1ccc(Br)cc1 ZINC000262898456 519682958 /nfs/dbraw/zinc/68/29/58/519682958.db2.gz PMAJBXOUANAXCV-UONOGXRCSA-N -1 0 399.241 1.328 50 0 GDAARM CCOc1ccc(C[C@@H](CNC(=O)[C@H]2CSCN2C(C)=O)C(=O)[O-])cc1 ZINC000299748351 521013055 /nfs/dbraw/zinc/01/30/55/521013055.db2.gz HBEWGQRRMTZEQW-GOEBONIOSA-N -1 0 380.466 1.366 50 0 GDAARM CCOc1ccc(C[C@@H](CNC(=O)[C@@H]2CSCN2C(C)=O)C(=O)[O-])cc1 ZINC000299748352 521014192 /nfs/dbraw/zinc/01/41/92/521014192.db2.gz HBEWGQRRMTZEQW-HOCLYGCPSA-N -1 0 380.466 1.366 50 0 GDAARM COc1cccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4ccc(F)cc4)c(=O)c2=3)c1 ZINC000100028405 570264885 /nfs/dbraw/zinc/26/48/85/570264885.db2.gz AZNKADORJMRXGY-SJORKVTESA-N -1 0 397.366 1.766 50 0 GDAARM COc1ccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4ccc(C)cc4)c(=O)c2=3)cc1 ZINC000100033031 570265136 /nfs/dbraw/zinc/26/51/36/570265136.db2.gz KUAIUTGVYVQQFX-MSOLQXFVSA-N -1 0 393.403 1.936 50 0 GDAARM COc1ccc(OC)c([C@H]2CC(c3c([O-])n(C)c(=S)n(C)c3=O)=NN2)c1 ZINC000015834647 570271420 /nfs/dbraw/zinc/27/14/20/570271420.db2.gz DGUGBHDRZZVWGW-LLVKDONJSA-N -1 0 376.438 1.615 50 0 GDAARM O=C([O-])[C@H](c1c[nH]c2cc(F)ccc21)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000020745710 570279329 /nfs/dbraw/zinc/27/93/29/570279329.db2.gz JVIGFZWXHVQWLW-DYVFJYSZSA-N -1 0 395.456 1.237 50 0 GDAARM CC(=O)Nc1ccc(NC(=O)C(=O)[N-]S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000002271983 570280949 /nfs/dbraw/zinc/28/09/49/570280949.db2.gz QDBQQTMKBMALGV-UHFFFAOYSA-N -1 0 375.406 1.397 50 0 GDAARM COC(=O)c1[n-]n(-c2ccccc2OC)c2c(O)n(-c3ccc(C)cc3)c(=O)c1-2 ZINC000103130062 570294649 /nfs/dbraw/zinc/29/46/49/570294649.db2.gz FFHSXBBJMOORFA-WMZOPIPTSA-N -1 0 393.399 1.911 50 0 GDAARM Cc1cc(C)cc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4nccs4)c=3c2=O)c1 ZINC000022770459 570326560 /nfs/dbraw/zinc/32/65/60/570326560.db2.gz QWWVHQZTXJQZGW-UONOGXRCSA-N -1 0 384.421 1.692 50 0 GDAARM Cc1nn(CC(=O)N2Cc3ccccc3C[C@H]2C(=O)[O-])c(=O)c2ccccc12 ZINC000237916115 570411927 /nfs/dbraw/zinc/41/19/27/570411927.db2.gz PEQZUVCNNYINGM-SFHVURJKSA-N -1 0 377.400 1.743 50 0 GDAARM CN1[C@@H](c2cccc(F)c2F)[C@@H](C(=O)N[C@H]2CC[C@H](O)CC2)C[C@H]1C(=O)[O-] ZINC000248004497 570440987 /nfs/dbraw/zinc/44/09/87/570440987.db2.gz BMKFODOQTYTWPQ-TXQGJJMLSA-N -1 0 382.407 1.831 50 0 GDAARM C[C@@H]1Oc2ccccc2N(CC(=O)NC[C@H](Cc2ccccc2)C(=O)[O-])C1=O ZINC000268900743 570451841 /nfs/dbraw/zinc/45/18/41/570451841.db2.gz DIMPXIUTJASRSH-HOCLYGCPSA-N -1 0 382.416 1.860 50 0 GDAARM C[C@H](NC(=O)CCCCCNC(=O)N1CCn2c3ccccc3nc21)C(=O)[O-] ZINC000006624229 570508393 /nfs/dbraw/zinc/50/83/93/570508393.db2.gz QELBFFBAFBPZCQ-ZDUSSCGKSA-N -1 0 387.440 1.716 50 0 biogenic GDAARM COC(=O)c1ccc2c(c1)[n-]c(=S)n(CCC(=O)N1CCCCC1)c2=O ZINC000032959231 570511377 /nfs/dbraw/zinc/51/13/77/570511377.db2.gz CLNZNORKMXMGJS-UHFFFAOYSA-N -1 0 375.450 1.874 50 0 GDAARM CCn1cc([N-]S(=O)(=O)c2c(C)n[nH]c2C)c(C(=O)NCc2ccco2)n1 ZINC000002804822 570517668 /nfs/dbraw/zinc/51/76/68/570517668.db2.gz UYSWRFWDTQPONH-UHFFFAOYSA-N -1 0 392.441 1.567 50 0 GDAARM CCn1ncc(S(=O)(=O)[N-]c2cn(C)nc2C(=O)NCc2ccco2)c1C ZINC000002804925 570517721 /nfs/dbraw/zinc/51/77/21/570517721.db2.gz PBAMNKRKEOMKQG-UHFFFAOYSA-N -1 0 392.441 1.269 50 0 GDAARM O=C([O-])[C@@H]1CN(C(=O)Cc2csc(-c3ccc4c(c3)OCO4)n2)CCO1 ZINC000263049088 570702430 /nfs/dbraw/zinc/70/24/30/570702430.db2.gz WTCSTLIYPVUECO-AWEZNQCLSA-N -1 0 376.390 1.393 50 0 GDAARM CS(=O)(=O)Cc1cccc(C(=O)N2C[C@@H](C(=O)[O-])Oc3ccccc32)c1 ZINC000013436909 570754814 /nfs/dbraw/zinc/75/48/14/570754814.db2.gz MZZGZOUMKNJNHL-INIZCTEOSA-N -1 0 375.402 1.724 50 0 GDAARM O=C1[C@@H]2CCCC[C@H]2C(=O)N1c1ccc(S(=O)(=O)[N-]c2ncccn2)cc1 ZINC000013804245 570791405 /nfs/dbraw/zinc/79/14/05/570791405.db2.gz NGMBBXDLCNLANV-HUUCEWRRSA-N -1 0 386.433 1.957 50 0 GDAARM CCOc1ccc(-n2c(=O)[nH]c([O-])c([C@H]3OCc4cnc(C)c(O)c43)c2=O)cc1 ZINC000005873916 570800203 /nfs/dbraw/zinc/80/02/03/570800203.db2.gz XGMVGIUOPZECEJ-KRWDZBQOSA-N -1 0 397.387 1.659 50 0 biogenic GDAARM O=C(Cn1[nH][n-]c2c(=O)n(-c3ccc(F)cc3)c(=O)c1=2)Nc1ccccc1F ZINC000101388070 570821444 /nfs/dbraw/zinc/82/14/44/570821444.db2.gz BNWHLZJCKRBPCG-HOTGVXAUSA-N -1 0 385.330 1.897 50 0 GDAARM Cc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)NCc4ccccc4)c=3c2=O)cc1C ZINC000101389464 570821751 /nfs/dbraw/zinc/82/17/51/570821751.db2.gz KLUGDFCZUXBZRG-MOPGFXCFSA-N -1 0 391.431 1.913 50 0 GDAARM CCOc1ccc([C@H]2CC(c3c(=O)[nH]c(=O)n(C)c3[O-])=NN2C(=O)CC)cc1 ZINC000101766103 570830744 /nfs/dbraw/zinc/83/07/44/570830744.db2.gz JNUPXPIRBSKLFT-CQSZACIVSA-N -1 0 386.408 1.266 50 0 GDAARM CCn1cc([C@H]2CC(c3c(=O)[nH]c(=O)n(C)c3[O-])=NN2C(C)=O)c2ccccc21 ZINC000101766041 570830886 /nfs/dbraw/zinc/83/08/86/570830886.db2.gz ZUEFKOFBVLSBCO-MRXNPFEDSA-N -1 0 395.419 1.451 50 0 GDAARM CCCCn1c([O-])c(C2=NN[C@@H](c3ccc(OC)c(OC)c3)C2)c(=O)[nH]c1=O ZINC000101761897 570832606 /nfs/dbraw/zinc/83/26/06/570832606.db2.gz LQKFGMRCCDSWNZ-GFCCVEGCSA-N -1 0 388.424 1.498 50 0 GDAARM CCOC(=O)c1ccc(CNC(=O)N2CCc3nc4cc[n-]n4c(=O)c3C2)cc1 ZINC000102990691 570873509 /nfs/dbraw/zinc/87/35/09/570873509.db2.gz HAJRMSWNNAMQLS-UHFFFAOYSA-N -1 0 395.419 1.467 50 0 GDAARM COC(=O)c1ccc(F)c(S(=O)(=O)N2C[C@H](C(=O)[O-])c3ccccc32)c1 ZINC000170633442 570927495 /nfs/dbraw/zinc/92/74/95/570927495.db2.gz JHRAVXMBJCAYOY-LBPRGKRZSA-N -1 0 379.365 1.989 50 0 GDAARM CCCCN1C(=O)[N-]C(=O)/C(=C2\C[C@H](c3ccc(OC)cc3OC)NN2)C1=O ZINC000016972581 570936261 /nfs/dbraw/zinc/93/62/61/570936261.db2.gz DSRSEODEKSBMGS-XUVDNFPMSA-N -1 0 388.424 1.375 50 0 GDAARM O=C([O-])[C@@H]1CC=CC[C@@H]1C(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000017080994 570941363 /nfs/dbraw/zinc/94/13/63/570941363.db2.gz SVOYWBLIGDOYIE-JKSUJKDBSA-N -1 0 396.440 1.326 50 0 GDAARM O=C([O-])c1ccc(N2C(=O)C[C@H](N3CCN(c4ccccn4)CC3)C2=O)cc1 ZINC000018156533 570950985 /nfs/dbraw/zinc/95/09/85/570950985.db2.gz VSMOLPGTOUOEGZ-INIZCTEOSA-N -1 0 380.404 1.234 50 0 GDAARM O=C([O-])c1ccn(CC(=O)NCCCn2nc(C(F)(F)F)cc2C2CC2)n1 ZINC000020614988 570952140 /nfs/dbraw/zinc/95/21/40/570952140.db2.gz QJLPPGUQTRYUJT-UHFFFAOYSA-N -1 0 385.346 1.881 50 0 GDAARM C[C@@H](C(=O)[O-])N1CC2(CCC1=O)CCN(CC(=O)NCc1ccco1)CC2 ZINC000091781978 571030756 /nfs/dbraw/zinc/03/07/56/571030756.db2.gz URLAPWNPZNRKQZ-AWEZNQCLSA-N -1 0 377.441 1.074 50 0 GDAARM CC(=O)N[C@H](C(=O)SC[C@H](C)C(=O)N1CCC[C@@H]1C(=O)[O-])c1ccccc1 ZINC000095918255 571095356 /nfs/dbraw/zinc/09/53/56/571095356.db2.gz NVEUJCXXXBMFGU-MAZHCROVSA-N -1 0 392.477 1.835 50 0 GDAARM COc1ccc(CCN2C[C@@H](C(=O)N3CCC[C@@H]3C(=O)[O-])CC2=O)cc1OC ZINC000096595703 597494625 /nfs/dbraw/zinc/49/46/25/597494625.db2.gz FUNBIOMLQCDVDK-LSDHHAIUSA-N -1 0 390.436 1.170 50 0 GDAARM CCOc1cc(C(=O)N2CC[C@@](O)(C(F)(F)F)C2)ccc1OCC(=O)[O-] ZINC000262385279 600801882 /nfs/dbraw/zinc/80/18/82/600801882.db2.gz JDEDYDNYTUUROF-HNNXBMFYSA-N -1 0 377.315 1.688 50 0 GDAARM O=C([O-])[C@@H]1CC[C@H](NC(=O)Nc2ccccc2OCC(=O)N2CCOCC2)C1 ZINC000647697516 953966784 /nfs/dbraw/zinc/96/67/84/953966784.db2.gz PBOXLBMYPACANQ-KGLIPLIRSA-N -1 0 391.424 1.299 50 0 GDAARM CCNS(=O)(=O)c1ccc2c(c1)N(C(=O)c1cccc(CC(=O)[O-])c1)CC2 ZINC000653641775 975609360 /nfs/dbraw/zinc/60/93/60/975609360.db2.gz YNVVGKUANHOSFZ-UHFFFAOYSA-N -1 0 388.445 1.815 50 0 GDAARM CNC(=O)c1nn(C)cc1[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000002804093 530532970 /nfs/dbraw/zinc/53/29/70/530532970.db2.gz RFBWHGUCPNAYHP-UHFFFAOYSA-N -1 0 379.261 1.405 50 0 GDAARM O=C([O-])CSCC(=O)N1CCCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000004334838 530535865 /nfs/dbraw/zinc/53/58/65/530535865.db2.gz SUQZYBOGKWUFKQ-UHFFFAOYSA-N -1 0 377.388 1.957 50 0 GDAARM Nc1nc(SCC(=O)[O-])[nH]c(=O)c1NC(=O)c1ccc(Br)o1 ZINC000005082428 530538308 /nfs/dbraw/zinc/53/83/08/530538308.db2.gz UUMUZGLGLUHSCQ-UHFFFAOYSA-N -1 0 389.187 1.137 50 0 GDAARM COc1cccc(C[N-]S(=O)(=O)c2c(C)nc3scc(C)n3c2=O)c1 ZINC000006823641 530543115 /nfs/dbraw/zinc/54/31/15/530543115.db2.gz LAFIWTOGIOVKHA-UHFFFAOYSA-N -1 0 379.463 1.860 50 0 GDAARM CSCC[C@H](CO)NC(=O)c1ccc2nc([N-]S(C)(=O)=O)sc2c1 ZINC000036579920 530614886 /nfs/dbraw/zinc/61/48/86/530614886.db2.gz NGHFDGGCQNDMER-SNVBAGLBSA-N -1 0 389.524 1.512 50 0 GDAARM Cc1cccc(OCCN(C)C(=O)Cc2csc([N-]S(C)(=O)=O)n2)c1 ZINC000032903524 530610238 /nfs/dbraw/zinc/61/02/38/530610238.db2.gz UOHSOBBERBVACL-UHFFFAOYSA-N -1 0 383.495 1.903 50 0 GDAARM Cc1csc([N-]S(=O)(=O)c2ccc(C(=O)NCC(F)(F)F)cc2)n1 ZINC000057710875 530727174 /nfs/dbraw/zinc/72/71/74/530727174.db2.gz CAKDXTIOXIWFKF-UHFFFAOYSA-N -1 0 379.385 2.544 50 0 GDAARM O=C([O-])[C@@H]1COCCN1C(=O)[C@H]1CCN(c2ccccc2Br)C1=O ZINC000268987710 531597110 /nfs/dbraw/zinc/59/71/10/531597110.db2.gz QLAYBCPLGYDRIP-GWCFXTLKSA-N -1 0 397.225 1.114 50 0 GDAARM COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)N(C)CCO3)c(OC)c1 ZINC000009828179 206371537 /nfs/dbraw/zinc/37/15/37/206371537.db2.gz KYRUMURGQOMJRM-UHFFFAOYSA-N -1 0 392.433 1.969 50 0 GDAARM CC(=O)Nc1ccc(S(=O)(=O)NC[C@H](CCC(=O)[O-])C(F)(F)F)cc1 ZINC000002451583 206417271 /nfs/dbraw/zinc/41/72/71/206417271.db2.gz QRLTYMHMFJVYPV-JTQLQIEISA-N -1 0 382.360 1.967 50 0 GDAARM COc1ccc(C(=O)N2CCC[C@H](C(=O)[O-])C2)cc1S(=O)(=O)NC(C)C ZINC000013260848 206971413 /nfs/dbraw/zinc/97/14/13/206971413.db2.gz HAEHMCXJWAZYKV-ZDUSSCGKSA-N -1 0 384.454 1.319 50 0 GDAARM Cc1ccc(S(=O)(=O)N[C@@H](C(=O)N2CCC(C(=O)[O-])CC2)C(C)C)cc1 ZINC000016007637 207070794 /nfs/dbraw/zinc/07/07/94/207070794.db2.gz KJTWSKQWOGUZFI-MRXNPFEDSA-N -1 0 382.482 1.621 50 0 GDAARM O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000017077760 207082680 /nfs/dbraw/zinc/08/26/80/207082680.db2.gz UCQDIXNNZANPSN-JKSUJKDBSA-N -1 0 380.466 1.411 50 0 GDAARM Cc1cn2c(nc(C)c(S(=O)(=O)[N-]c3ccc4c(c3)OCO4)c2=O)s1 ZINC000020921787 207220387 /nfs/dbraw/zinc/22/03/87/207220387.db2.gz RPZMPMWJOKLYJS-UHFFFAOYSA-N -1 0 379.419 1.902 50 0 GDAARM Cc1cc(C)n2ncc(C(=O)[N-]N3C(=O)N[C@](C)(c4ccccc4)C3=O)c2n1 ZINC000040069188 207336499 /nfs/dbraw/zinc/33/64/99/207336499.db2.gz VSWFBMAQCGXHOR-LJQANCHMSA-N -1 0 378.392 1.458 50 0 GDAARM O=C([O-])CN(CCc1ccccc1)C(=O)[C@@H]1CC(=O)N(Cc2ccccn2)C1 ZINC000299747959 207661859 /nfs/dbraw/zinc/66/18/59/207661859.db2.gz FOJYSOWAQAXSQA-QGZVFWFLSA-N -1 0 381.432 1.586 50 0 GDAARM NC(=O)c1cc(C(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)nn1-c1ccccc1 ZINC000299747712 207662431 /nfs/dbraw/zinc/66/24/31/207662431.db2.gz DUBJLJRJCPQXAS-NUTKFTJISA-N -1 0 382.420 1.829 50 0 GDAARM Cc1cc(F)ccc1OC1(C(=O)[O-])CCN(C(=O)CN2CCCC2=O)CC1 ZINC000072479067 208033731 /nfs/dbraw/zinc/03/37/31/208033731.db2.gz IIVKRWJIHNTXJD-UHFFFAOYSA-N -1 0 378.400 1.581 50 0 GDAARM Cc1nnc([N-]S(=O)(=O)c2ccc3c(c2)CN(C(=O)C2CC2)CC3)s1 ZINC000077428962 208042855 /nfs/dbraw/zinc/04/28/55/208042855.db2.gz GMWJMAWPSUXOCC-UHFFFAOYSA-N -1 0 378.479 1.942 50 0 GDAARM Cc1cc(NC(=O)c2cccc(F)c2)sc1C(=O)NCc1n[nH]c(=O)[n-]1 ZINC000078996111 208068710 /nfs/dbraw/zinc/06/87/10/208068710.db2.gz VOVSIXCLPRACEC-UHFFFAOYSA-N -1 0 375.385 1.789 50 0 GDAARM O=C([O-])[C@H]1CC2(CN1C(=O)C1CC1)CCN(C(=O)NCc1ccco1)CC2 ZINC000091305907 208115045 /nfs/dbraw/zinc/11/50/45/208115045.db2.gz DKAZBEWIZXLKEM-OAHLLOKOSA-N -1 0 375.425 1.667 50 0 GDAARM O=C([O-])C[C@H](NC(=O)CCn1[nH]c(=O)c2ccccc2c1=O)c1cccs1 ZINC000095349588 208156234 /nfs/dbraw/zinc/15/62/34/208156234.db2.gz KOOHCEDULMNNIS-ZDUSSCGKSA-N -1 0 387.417 1.886 50 0 GDAARM O=C(NCc1n[nH]c(=O)[n-]1)C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000095461189 208189306 /nfs/dbraw/zinc/18/93/06/208189306.db2.gz PKVRMZPXHPMLHL-UHFFFAOYSA-N -1 0 397.235 1.391 50 0 GDAARM CNS(=O)(=O)c1ccccc1[N-]S(=O)(=O)c1cccc(C(=O)OC)c1C ZINC000095995687 208252025 /nfs/dbraw/zinc/25/20/25/208252025.db2.gz QHMPPCBJSKXROW-UHFFFAOYSA-N -1 0 398.462 1.491 50 0 GDAARM Cc1ccc(-n2c(O)c3[nH][n-]c(C(=O)OCc4ccccc4)c-3c2=O)c(C)c1 ZINC000100916163 208383465 /nfs/dbraw/zinc/38/34/65/208383465.db2.gz RGXWPJYLLYYZKR-SJORKVTESA-N -1 0 377.400 1.864 50 0 GDAARM Cc1cc(C)cc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4nccs4)c=3c2=O)c1 ZINC000101352852 208393223 /nfs/dbraw/zinc/39/32/23/208393223.db2.gz QWWVHQZTXJQZGW-ZIAGYGMSSA-N -1 0 384.421 1.692 50 0 GDAARM C[C@@H]1CS(=O)(=O)N(c2cccc(C(=O)Nc3cccc(C(=O)[O-])c3)c2)C1=O ZINC000041181995 208396363 /nfs/dbraw/zinc/39/63/63/208396363.db2.gz VALFGQPMWODZPZ-LLVKDONJSA-N -1 0 388.401 1.950 50 0 GDAARM COCCNC(=O)c1sc([N-]S(=O)(=O)c2ccc(OC)cc2)nc1C ZINC000008979014 208701242 /nfs/dbraw/zinc/70/12/42/208701242.db2.gz JPOFUGKWAXXAOK-UHFFFAOYSA-N -1 0 385.467 1.637 50 0 GDAARM O=C([O-])CC[C@@]1(CCC(=O)N2CCN(Cc3cccs3)CC2)CCC(=O)N1 ZINC000222993946 208889746 /nfs/dbraw/zinc/88/97/46/208889746.db2.gz WBOOBMOMNXNJGW-IBGZPJMESA-N -1 0 393.509 1.686 50 0 GDAARM COC(=O)c1ccc2c(c1)[C@@H]1c3sc(=O)[nH]c3S[C@H](C(=O)[O-])[C@H]1C(=O)O2 ZINC000229926049 209004321 /nfs/dbraw/zinc/00/43/21/209004321.db2.gz OZSFXFHRKLQVDC-QXEWZRGKSA-N -1 0 393.398 1.449 50 0 GDAARM Cc1cc(=NC(=O)c2cc3cc(F)ccc3n2C)n([C@@H]2CCS(=O)(=O)C2)[nH]1 ZINC000334159165 209095324 /nfs/dbraw/zinc/09/53/24/209095324.db2.gz KDPSCPDBTQABKI-CQSZACIVSA-N -1 0 390.440 1.856 50 0 GDAARM O=C([O-])c1ccnc(-c2ccnc(N3CCN(C(=O)[C@@H]4CCCO4)CC3)n2)c1 ZINC000072426217 136170089 /nfs/dbraw/zinc/17/00/89/136170089.db2.gz QKXJTKTWOUDPJU-INIZCTEOSA-N -1 0 383.408 1.064 50 0 GDAARM COc1ccc(C(=O)[O-])cc1S(=O)(=O)N1CCN(c2ccccn2)CC1 ZINC000169301341 136196948 /nfs/dbraw/zinc/19/69/48/136196948.db2.gz AWDBPBCRHQVNHE-UHFFFAOYSA-N -1 0 377.422 1.299 50 0 GDAARM Cc1cc(C)nc(-n2cc(C(=O)N3CCO[C@@H](CC(=O)[O-])C3)c(C(C)C)n2)n1 ZINC000408513470 534129320 /nfs/dbraw/zinc/12/93/20/534129320.db2.gz BUJWSMZBBJPEQV-AWEZNQCLSA-N -1 0 387.440 1.718 50 0 GDAARM CCOc1cc(C(=O)N2CCNC(=O)[C@@H]2c2ccccc2)ccc1OCC(=O)[O-] ZINC000268912446 520657976 /nfs/dbraw/zinc/65/79/76/520657976.db2.gz NYRMTBJREWBGCE-IBGZPJMESA-N -1 0 398.415 1.862 50 0 GDAARM CCC[C@@H]1CN(C(=O)c2cnc(N3CCN(C)CC3)nc2C)C[C@H]1C(=O)[O-] ZINC000097674198 535434788 /nfs/dbraw/zinc/43/47/88/535434788.db2.gz NWTUOJDBYUREBG-GDBMZVCRSA-N -1 0 375.473 1.110 50 0 GDAARM CCc1cc(N2CCC[C@@H](NC(=O)c3n[n-]c4ccccc4c3=O)C2)ncn1 ZINC000112507655 570253611 /nfs/dbraw/zinc/25/36/11/570253611.db2.gz BNSRCFFLVFPXTE-CQSZACIVSA-N -1 0 378.436 1.674 50 0 GDAARM O=C([O-])[C@H]1C[C@@H](C(=O)Nc2ccc(F)cc2)CN(C(=O)C2CCOCC2)C1 ZINC000072135421 570255650 /nfs/dbraw/zinc/25/56/50/570255650.db2.gz IDYOZSAGJJIMED-KGLIPLIRSA-N -1 0 378.400 1.740 50 0 GDAARM CC[C@H](Oc1ccccc1)C(=O)N[C@@H]1C(=O)N2[C@H]1SC(C)(C)[C@@H]2C(=O)[O-] ZINC000071757961 570283025 /nfs/dbraw/zinc/28/30/25/570283025.db2.gz HOCWPKXKMNXINF-ZWUHOBOKSA-N -1 0 378.450 1.476 50 0 GDAARM O=C([O-])[C@@H](NC(=O)COc1ccc2nc3n(c(=O)c2c1)CCC3)c1ccccc1 ZINC000012901038 570288355 /nfs/dbraw/zinc/28/83/55/570288355.db2.gz SGDCLAPNGOHVOT-IBGZPJMESA-N -1 0 393.399 1.664 50 0 biogenic GDAARM Cn1nnc(-c2ccc(OCC(=O)NCC3(CC(=O)[O-])CCCCC3)cc2)n1 ZINC000218351441 570332304 /nfs/dbraw/zinc/33/23/04/570332304.db2.gz QGCUXOZYYOVBJR-UHFFFAOYSA-N -1 0 387.440 1.797 50 0 GDAARM Cc1noc(C)c1S(=O)(=O)[N-]c1ccc(CN2CCS(=O)(=O)CC2)cc1 ZINC000004334631 570368682 /nfs/dbraw/zinc/36/86/82/570368682.db2.gz OVQHDMXYOIENHY-UHFFFAOYSA-N -1 0 399.494 1.323 50 0 GDAARM CSCC[C@H](NC(=O)/C(=C\c1ccco1)NC(=O)c1ccco1)C(=O)[O-] ZINC000004976756 570387877 /nfs/dbraw/zinc/38/78/77/570387877.db2.gz WRIALLUIJNBLIE-CVCOIXHCSA-N -1 0 378.406 1.966 50 0 GDAARM Cc1nc2ncnn2c(C)c1CCC(=O)N1Cc2ccccc2C[C@H]1C(=O)[O-] ZINC000237780655 570397218 /nfs/dbraw/zinc/39/72/18/570397218.db2.gz FNLGVIFEUIIDDY-KRWDZBQOSA-N -1 0 379.420 1.712 50 0 GDAARM CC(=O)N[C@@H](Cc1c[nH]c2cc(F)ccc12)C(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC000236709287 570427162 /nfs/dbraw/zinc/42/71/62/570427162.db2.gz XMNJYWVYPHSFBG-SJCJKPOMSA-N -1 0 375.400 1.677 50 0 GDAARM COc1ccc(S(=O)(=O)[N-]c2cc(C)nn2[C@H]2CCS(=O)(=O)C2)cc1C ZINC000011795911 570435570 /nfs/dbraw/zinc/43/55/70/570435570.db2.gz YGQXQDHSADHMNY-ZDUSSCGKSA-N -1 0 399.494 1.669 50 0 GDAARM COc1cc2oc(=O)c(CC(=O)N[C@@H](C(=O)[O-])C(C)C)c(C)c2cc1OC ZINC000011865655 570441071 /nfs/dbraw/zinc/44/10/71/570441071.db2.gz GTJWHSANWCNAMJ-QGZVFWFLSA-N -1 0 377.393 1.887 50 0 GDAARM Cc1ccc(C(=O)[O-])cc1NC(=O)C(=O)NCc1nc(Cc2ccccc2)no1 ZINC000061720322 570503130 /nfs/dbraw/zinc/50/31/30/570503130.db2.gz CPIGDYGNJSJPAD-UHFFFAOYSA-N -1 0 394.387 1.922 50 0 GDAARM Cc1ccccc1Cn1c(S[C@@H](C)C(=O)[O-])nc2c1c(=O)n(C)c(=O)n2C ZINC000005093148 570541198 /nfs/dbraw/zinc/54/11/98/570541198.db2.gz VZSDNBRARPSZFB-NSHDSACASA-N -1 0 388.449 1.356 50 0 biogenic GDAARM O=C([O-])[C@H](NC(=O)Cn1nc(-c2ccccc2F)ccc1=O)c1ccccc1 ZINC000049545589 570664229 /nfs/dbraw/zinc/66/42/29/570664229.db2.gz ZLZLQPSBJZDTOQ-LJQANCHMSA-N -1 0 381.363 1.992 50 0 GDAARM Cc1nn(-c2ccc(C(=O)N[C@@H]3CCCNC3=O)cc2)c(C)c1CCC(=O)[O-] ZINC000262390389 570668395 /nfs/dbraw/zinc/66/83/95/570668395.db2.gz AGNWKBRZUZWBNI-QGZVFWFLSA-N -1 0 384.436 1.515 50 0 GDAARM O=C([O-])[C@H]1CN(C(=O)Cn2c(COc3ccccc3)nc3ccccc32)CCO1 ZINC000262393360 570668850 /nfs/dbraw/zinc/66/88/50/570668850.db2.gz KYIIYVMJOQJXGW-GOSISDBHSA-N -1 0 395.415 1.927 50 0 GDAARM COc1ccc(F)cc1[C@@H](C(=O)[O-])N1CCN(CC(=O)N2CCCC2)CC1 ZINC000055109200 570683501 /nfs/dbraw/zinc/68/35/01/570683501.db2.gz XNCMMMWWELTAHL-SFHVURJKSA-N -1 0 379.432 1.200 50 0 GDAARM O=C([O-])c1cnc2c(c1)n(CCCn1cccn1)c(=O)n2CCc1ccccn1 ZINC000055182683 570686069 /nfs/dbraw/zinc/68/60/69/570686069.db2.gz YYPMVHYXZLBBPK-UHFFFAOYSA-N -1 0 392.419 1.821 50 0 GDAARM Cc1cc(=O)[nH]c(NCCn2cc(Oc3ccccc3)c(=O)c(C(=O)[O-])c2)n1 ZINC000055413997 570695042 /nfs/dbraw/zinc/69/50/42/570695042.db2.gz AZMXZXNWEJBZAY-UHFFFAOYSA-N -1 0 382.376 1.843 50 0 GDAARM O=C(CN(Cc1ccccc1)Cc1nc(=O)c2sccc2[n-]1)N1CCNC1=O ZINC000025139689 570730172 /nfs/dbraw/zinc/73/01/72/570730172.db2.gz UFPXXCXMRMJODR-UHFFFAOYSA-N -1 0 397.460 1.539 50 0 GDAARM Cc1cccn2c(=O)cc(COC(=O)c3ccccc3[N-]S(C)(=O)=O)nc12 ZINC000007025875 570742544 /nfs/dbraw/zinc/74/25/44/570742544.db2.gz QCXJEHCILYYJKO-UHFFFAOYSA-N -1 0 387.417 1.731 50 0 GDAARM COc1ccc(S(=O)(=O)Nc2cc3c(cc2C(=O)[O-])OCCO3)cc1OC ZINC000013090256 570745419 /nfs/dbraw/zinc/74/54/19/570745419.db2.gz DIMUDYGSDDRCMJ-UHFFFAOYSA-N -1 0 395.389 1.974 50 0 GDAARM O=C([O-])c1cccc(S(=O)(=O)N2CCC[C@H](c3nnc4ccccn43)C2)c1 ZINC000013248730 570751553 /nfs/dbraw/zinc/75/15/53/570751553.db2.gz NWMULZICIJWFRU-AWEZNQCLSA-N -1 0 386.433 1.996 50 0 GDAARM COc1ccc(S(=O)(=O)N2CCC[C@H](Cn3cc(C(=O)[O-])nn3)C2)cc1 ZINC000065433180 570768543 /nfs/dbraw/zinc/76/85/43/570768543.db2.gz UHAIYPFALOLPPB-GFCCVEGCSA-N -1 0 380.426 1.086 50 0 GDAARM O=C(NCC[C@@H]1COc2ccccc2O1)c1ccc(NCc2nnn[n-]2)nc1 ZINC000067712778 570787360 /nfs/dbraw/zinc/78/73/60/570787360.db2.gz SRACVZZGTARGTR-CYBMUJFWSA-N -1 0 381.396 1.167 50 0 GDAARM COc1cccc(-c2nnc3ccc(OCC[N-]C(=O)C(F)(F)F)nn32)c1 ZINC000011693902 570797676 /nfs/dbraw/zinc/79/76/76/570797676.db2.gz VQVPTYHYBFCDRK-UHFFFAOYSA-N -1 0 381.314 1.857 50 0 GDAARM COc1ccc(N2C[C@H](C(=O)N[C@H](C(=O)[O-])c3ccccc3)CC2=O)cc1OC ZINC000299752439 570828751 /nfs/dbraw/zinc/82/87/51/570828751.db2.gz UDLHZPJNDLLHLI-KUHUBIRLSA-N -1 0 398.415 1.999 50 0 GDAARM COc1ccc(-c2cc(C(=O)[O-])cc(S(=O)(=O)N3CCN(C)CC3)c2)cn1 ZINC000071761451 570849465 /nfs/dbraw/zinc/84/94/65/570849465.db2.gz QNMRZHHNJFGCDK-UHFFFAOYSA-N -1 0 391.449 1.392 50 0 GDAARM C[C@H](NS(=O)(=O)c1cccs1)C(=O)N[C@H](c1ccccc1)[C@H](C)C(=O)[O-] ZINC000262522592 601393724 /nfs/dbraw/zinc/39/37/24/601393724.db2.gz QZLHNAXLRMPHEB-HUBLWGQQSA-N -1 0 396.490 1.993 50 0 GDAARM O=C([O-])[C@H](Cc1ccncc1)NS(=O)(=O)c1cccc2c1OCCCO2 ZINC000653495978 954180005 /nfs/dbraw/zinc/18/00/05/954180005.db2.gz AOLALWKPHBFCHY-ZDUSSCGKSA-N -1 0 378.406 1.217 50 0 GDAARM COc1ccc(CNC(=O)CN2c3ccccc3O[C@H](C)C2=O)cc1C(=O)[O-] ZINC000299744777 962940066 /nfs/dbraw/zinc/94/00/66/962940066.db2.gz PVGVTHJBDPJQCY-GFCCVEGCSA-N -1 0 384.388 1.824 50 0 GDAARM CNC(=O)C[C@@H](c1ccc(OC)c(OC)c1OC)c1c([O-])cc(C)oc1=O ZINC000263586789 529870577 /nfs/dbraw/zinc/87/05/77/529870577.db2.gz XYWFFFYHYVKGEI-LBPRGKRZSA-N -1 0 377.393 1.948 50 0 biogenic GDAARM CN(Cc1n[nH]c(=O)[n-]1)C(=O)Cn1nc(-c2ccccc2)c2ccccc2c1=O ZINC000426465483 530022680 /nfs/dbraw/zinc/02/26/80/530022680.db2.gz PXRCBUXZYQVWLT-UHFFFAOYSA-N -1 0 390.403 1.546 50 0 GDAARM CC[C@@H](C)[C@@H](NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl)C(=O)[O-] ZINC000008328463 530548915 /nfs/dbraw/zinc/54/89/15/530548915.db2.gz SMRDFIFPOUWYQZ-NOZJJQNGSA-N -1 0 376.862 1.819 50 0 GDAARM COc1ccc(S(=O)(=O)N[C@@]2(C(F)(F)F)N=C3SCCN3C2=O)cc1 ZINC000002492562 530531735 /nfs/dbraw/zinc/53/17/35/530531735.db2.gz WVRQOQJSZFECDT-LBPRGKRZSA-N -1 0 395.384 1.177 50 0 GDAARM O=C1[N-]C(=O)C(Br)(Br)C(=O)N1Cc1ccccc1 ZINC000004114208 530535215 /nfs/dbraw/zinc/53/52/15/530535215.db2.gz VSUGLKJFJNCWLF-UHFFFAOYSA-N -1 0 376.004 1.751 50 0 GDAARM O=C([O-])c1cc(S(=O)(=O)NCCN2CCOCC2)c(Cl)cc1Cl ZINC000013076041 530558052 /nfs/dbraw/zinc/55/80/52/530558052.db2.gz FZGFZAGTIBZFBT-UHFFFAOYSA-N -1 0 383.253 1.302 50 0 GDAARM O=C(NCCO)c1ccc2nc([N-]S(=O)(=O)c3ccccc3)sc2c1 ZINC000013718903 530558764 /nfs/dbraw/zinc/55/87/64/530558764.db2.gz YLRSRSZBNLWONI-UHFFFAOYSA-N -1 0 377.447 1.819 50 0 GDAARM O=C([O-])[C@@H]1CCN(C(=O)CCn2cnc3ccc(Br)cc3c2=O)C1 ZINC000178267809 530718995 /nfs/dbraw/zinc/71/89/95/530718995.db2.gz UMIIFMFOCVVSSE-SNVBAGLBSA-N -1 0 394.225 1.482 50 0 GDAARM O=C(CSc1n[nH]c(=O)[n-]c1=O)Nc1ccc(Br)cc1F ZINC000071405414 530804277 /nfs/dbraw/zinc/80/42/77/530804277.db2.gz FIURHLRYHIHKTN-UHFFFAOYSA-N -1 0 375.179 1.503 50 0 GDAARM Cc1cc(C(=O)N2CCO[C@H](C(=O)[O-])C2)nn1-c1ccc(Br)cc1 ZINC000237701369 531049055 /nfs/dbraw/zinc/04/90/55/531049055.db2.gz RUKLCGARQNLRON-AWEZNQCLSA-N -1 0 394.225 1.869 50 0 GDAARM O=C([O-])[C@H]1CN(C(=O)CCNc2ncc(C(F)(F)F)cc2Cl)CCO1 ZINC000262843487 531132506 /nfs/dbraw/zinc/13/25/06/531132506.db2.gz DNVUTVYOWHODOV-SNVBAGLBSA-N -1 0 381.738 1.868 50 0 GDAARM C[C@@H](NS(=O)(=O)c1cc(C(=O)[O-])cc2c1CCC2)C1(S(C)(=O)=O)CC1 ZINC000560431143 531644514 /nfs/dbraw/zinc/64/45/14/531644514.db2.gz AYAKGAPRONJVPF-SNVBAGLBSA-N -1 0 387.479 1.118 50 0 GDAARM COc1cc(Br)c(S(=O)(=O)N2CC[C@@H](C(=O)[O-])C2)cc1OC ZINC000299741862 206291320 /nfs/dbraw/zinc/29/13/20/206291320.db2.gz HIWLKARHKLCRQS-MRVPVSSYSA-N -1 0 394.243 1.562 50 0 GDAARM COC(=O)COc1cc(Br)c(/C=C2/NC(=O)[N-]C2=O)cc1OC ZINC000000979814 206338515 /nfs/dbraw/zinc/33/85/15/206338515.db2.gz JHYYUWCIDUYHGT-YCRREMRBSA-N -1 0 385.170 1.190 50 0 GDAARM COC(=O)COc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)OC)cc1 ZINC000001142043 206358124 /nfs/dbraw/zinc/35/81/24/206358124.db2.gz GKSOWXMOABQHKL-UHFFFAOYSA-N -1 0 379.390 1.826 50 0 GDAARM CSC[C@H](NC(=O)COc1cc(C)cc2oc(=O)c3c(c12)CCC3)C(=O)[O-] ZINC000002119613 206399355 /nfs/dbraw/zinc/39/93/55/206399355.db2.gz BGEKQILKDVRQOC-ZDUSSCGKSA-N -1 0 391.445 1.901 50 0 biogenic GDAARM Cc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)NCc4ccccc4)c=3c2=O)cc1C ZINC000006729451 206667540 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208397559 /nfs/dbraw/zinc/39/75/59/208397559.db2.gz XRPPBQJGJDGFDG-CYBMUJFWSA-N -1 0 394.387 1.384 50 0 GDAARM Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H](C(=O)[O-])C(C)C)CC2)cc1 ZINC000002083417 208501158 /nfs/dbraw/zinc/50/11/58/208501158.db2.gz ONPLZOZUOZPPAY-MRXNPFEDSA-N -1 0 382.482 1.621 50 0 GDAARM CCCC[C@H](NC(=O)[C@H](C)NC(=O)CNC(=O)OCc1ccccc1)C(=O)[O-] ZINC000004029264 208517313 /nfs/dbraw/zinc/51/73/13/208517313.db2.gz JLRXWFRRELZYHB-ZFWWWQNUSA-N -1 0 393.440 1.177 50 0 biogenic GDAARM Cc1cc(C)c(S(=O)(=O)N[C@H](CCC(=O)[O-])C(=O)N2CCCC2)c(C)c1 ZINC000005534752 208671609 /nfs/dbraw/zinc/67/16/09/208671609.db2.gz NSCWFZCMUNQFPW-OAHLLOKOSA-N -1 0 382.482 1.746 50 0 GDAARM CC(=O)[C@H](Cc1ccccc1)NC(=O)Cn1nc(C(=O)[O-])c2ccccc2c1=O ZINC000007985958 208694929 /nfs/dbraw/zinc/69/49/29/208694929.db2.gz OJNMZMOYDRSUAH-KRWDZBQOSA-N -1 0 393.399 1.411 50 0 GDAARM O=C([O-])c1cccc(-c2nc3c([nH]2)CCN(C(=O)CCN2CCCC2=O)C3)c1 ZINC000244691566 209021732 /nfs/dbraw/zinc/02/17/32/209021732.db2.gz 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O=S(=O)([N-]c1cccc2c[nH]nc21)c1cccc(S(=O)(=O)NC2CC2)c1 ZINC000024425603 570821928 /nfs/dbraw/zinc/82/19/28/570821928.db2.gz FMJCJPMFVZVGQR-UHFFFAOYSA-N -1 0 392.462 1.804 50 0 GDAARM C[C@@H](NC(=O)Cn1[nH]c(=O)c2ccccc2c1=O)c1ccc(-n2ccnc2)cc1 ZINC000007277259 570822999 /nfs/dbraw/zinc/82/29/99/570822999.db2.gz BNJWIOKULJCSEP-CQSZACIVSA-N -1 0 389.415 1.753 50 0 GDAARM CCN(C(=O)c1ccc(-n2ncc(C(=O)[O-])c2C)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000299752669 570829656 /nfs/dbraw/zinc/82/96/56/570829656.db2.gz UXLRUKCJKRDUBJ-OAHLLOKOSA-N -1 0 391.449 1.528 50 0 GDAARM O=C([O-])C[C@@H]1CN(C(=O)c2nnn(-c3ccccc3)c2C(F)(F)F)CCO1 ZINC000299752972 570829800 /nfs/dbraw/zinc/82/98/00/570829800.db2.gz WGORLLCLIHZJSZ-LLVKDONJSA-N -1 0 384.314 1.602 50 0 GDAARM COCCNS(=O)(=O)c1cc(C(=O)[O-])cc(-c2ccc3c(c2)OCCO3)c1 ZINC000071747227 570845643 /nfs/dbraw/zinc/84/56/43/570845643.db2.gz ZNKNANGSLCLDCT-UHFFFAOYSA-N -1 0 393.417 1.748 50 0 GDAARM CN1c2ccccc2[C@@](CC(=O)NCc2nnn[n-]2)(Cc2ccccc2)C1=O ZINC000071752818 570847217 /nfs/dbraw/zinc/84/72/17/570847217.db2.gz QHKKLWGPTGLBFN-FQEVSTJZSA-N -1 0 376.420 1.363 50 0 GDAARM CCCNC(=O)[C@@H](NC(=O)Cc1ccccc1)[C@@H]1N[C@@H](C(=O)[O-])C(C)(C)S1 ZINC000071769342 570851952 /nfs/dbraw/zinc/85/19/52/570851952.db2.gz HOMMFAHLBLWUGE-HLLBOEOZSA-N -1 0 393.509 1.134 50 0 GDAARM COc1cc(/C=C/C(=O)[O-])cc(S(=O)(=O)N2CCC(OC)CC2)c1OC ZINC000013454885 570897386 /nfs/dbraw/zinc/89/73/86/570897386.db2.gz YVHGNFRRZKKUQU-SNAWJCMRSA-N -1 0 385.438 1.601 50 0 GDAARM O=C1[N-]C(=O)N(CCc2ccccc2)C(=O)/C1=C1/C[C@@H](c2ccccc2)NN1 ZINC000017014466 570937094 /nfs/dbraw/zinc/93/70/94/570937094.db2.gz CWEXIZRLBYUVJH-QCPHZMBFSA-N -1 0 376.416 1.801 50 0 GDAARM COC(=O)CN1C(=O)S/C(=C/c2cccc(OC)c2O[C@@H](C)C(=O)[O-])C1=O ZINC000004743026 570956851 /nfs/dbraw/zinc/95/68/51/570956851.db2.gz UKDBSHGINDFJJZ-SZUMLMDFSA-N -1 0 395.389 1.756 50 0 GDAARM CC(C)(CNC(=O)[C@H]1CCCN1C(=O)OCc1ccccc1)[C@H](O)C(=O)[O-] ZINC000002139970 570962969 /nfs/dbraw/zinc/96/29/69/570962969.db2.gz 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GDAARM Nc1nc(SCC(=O)N2CCCC2)[n-]c(=O)c1NC(=O)c1cccs1 ZINC000012732399 530556382 /nfs/dbraw/zinc/55/63/82/530556382.db2.gz KOYQFWQGCCVMSQ-UHFFFAOYSA-N -1 0 379.467 1.380 50 0 GDAARM O=C([O-])C1(CNS(=O)(=O)c2sccc2Br)CCOCC1 ZINC000165951878 530581688 /nfs/dbraw/zinc/58/16/88/530581688.db2.gz RDDHKMGNWFGRIT-UHFFFAOYSA-N -1 0 384.273 1.670 50 0 GDAARM CCCCN(C)S(=O)(=O)c1cccc(S(=O)(=O)[N-]c2ccccn2)c1 ZINC000097102049 530819870 /nfs/dbraw/zinc/81/98/70/530819870.db2.gz AQPKTMFREVIYHD-UHFFFAOYSA-N -1 0 383.495 2.303 50 0 GDAARM Cc1c(C(=O)[O-])cccc1S(=O)(=O)NC[C@@H]1CCN(CC(F)(F)F)C1 ZINC000107885706 530855148 /nfs/dbraw/zinc/85/51/48/530855148.db2.gz YHYZWUIIKAVDST-NSHDSACASA-N -1 0 380.388 1.856 50 0 GDAARM CC(=O)N[C@@H](CC(=O)N1CCO[C@H](C(=O)[O-])C1)c1ccc(Br)cc1 ZINC000262898454 531133983 /nfs/dbraw/zinc/13/39/83/531133983.db2.gz PMAJBXOUANAXCV-KBPBESRZSA-N -1 0 399.241 1.328 50 0 GDAARM Cc1c(C(=O)N2CCOC[C@H]2C(=O)[O-])cnn1-c1cccc(Br)c1 ZINC000268995088 531596825 /nfs/dbraw/zinc/59/68/25/531596825.db2.gz VIZQRZOTTPOICX-AWEZNQCLSA-N -1 0 394.225 1.869 50 0 GDAARM O=C([O-])[C@H]1CN(C(=O)Nc2ccn(-c3ccc(Br)cc3)n2)CCO1 ZINC000669506714 531814367 /nfs/dbraw/zinc/81/43/67/531814367.db2.gz QYUPXIBBXLRTRQ-GFCCVEGCSA-N -1 0 395.213 1.952 50 0 GDAARM O=C([O-])[C@@H]1Cc2ccccc2CN1C(=O)Cn1cc(Br)ccc1=O ZINC000299741635 532023183 /nfs/dbraw/zinc/02/31/83/532023183.db2.gz HBIFJMRYYYRZOH-AWEZNQCLSA-N -1 0 391.221 1.649 50 0 GDAARM O=C([O-])[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)Cn1cc(Br)ccc1=O ZINC000299741210 532023719 /nfs/dbraw/zinc/02/37/19/532023719.db2.gz DTLLXUNUHPVODZ-RTXFEEFZSA-N -1 0 383.242 1.855 50 0 GDAARM O=C([O-])C[C@@H](NC(=O)[C@@H]1CCS(=O)(=O)C1)c1ccc(Br)cc1 ZINC000299746686 532024807 /nfs/dbraw/zinc/02/48/07/532024807.db2.gz ZCLMFSFHCQKHAQ-ZYHUDNBSSA-N -1 0 390.255 1.516 50 0 GDAARM COc1cc(CN2C[C@]34C=C[C@H](O3)[C@@H](C(=O)[O-])[C@@H]4C2=O)cc(OC)c1OC ZINC000001301217 206372173 /nfs/dbraw/zinc/37/21/73/206372173.db2.gz DUBARIMOBPAYEK-NGRNXEGESA-N -1 0 375.377 1.079 50 0 GDAARM CC(=O)N/C(=C/c1ccc2c(c1)OCO2)C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000002900063 206445292 /nfs/dbraw/zinc/44/52/92/206445292.db2.gz KIPACRKTCCFPJL-KGZWWPETSA-N -1 0 396.399 1.704 50 0 biogenic GDAARM O=C([O-])C1CCC(CNC(=O)CCCn2c(=O)[nH]c3ccccc3c2=O)CC1 ZINC000009058928 206772224 /nfs/dbraw/zinc/77/22/24/206772224.db2.gz TVNOFKZNRDAYSS-UHFFFAOYSA-N -1 0 387.436 1.890 50 0 GDAARM CCSc1nnc([N-]C(=O)c2nc(S(C)(=O)=O)ncc2Cl)s1 ZINC000016751786 207076676 /nfs/dbraw/zinc/07/66/76/207076676.db2.gz AALNMHGWSGAUPH-UHFFFAOYSA-N -1 0 379.876 1.749 50 0 GDAARM COC(=O)c1sccc1S(=O)(=O)[N-]c1ccc(Cn2cncn2)cc1 ZINC000019894181 207168954 /nfs/dbraw/zinc/16/89/54/207168954.db2.gz YISPPUPBINZWOZ-UHFFFAOYSA-N -1 0 378.435 1.975 50 0 GDAARM Cc1c2cc(Cl)c([O-])cc2oc(=O)c1CC(=O)NCCCN1CCOCC1 ZINC000020650714 207209601 /nfs/dbraw/zinc/20/96/01/207209601.db2.gz FXOUFARXJVBIHJ-UHFFFAOYSA-N -1 0 394.855 1.841 50 0 GDAARM O=C([O-])C[C@H]1COCCN1C(=O)CNC(=O)c1cc(Cl)ccc1Cl ZINC000072426981 208023237 /nfs/dbraw/zinc/02/32/37/208023237.db2.gz GUWWRGADZDJNCU-JTQLQIEISA-N -1 0 375.208 1.425 50 0 GDAARM Cc1ccc(CCC(=O)NCC(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)[O-])cc1 ZINC000095463992 208187807 /nfs/dbraw/zinc/18/78/07/208187807.db2.gz PCPXVESZDNWVPX-SFHVURJKSA-N -1 0 386.423 1.995 50 0 GDAARM CCCCS(=O)(=O)N1CCC(C(=O)NC2(C(=O)[O-])CCC(C)CC2)CC1 ZINC000095956977 208244292 /nfs/dbraw/zinc/24/42/92/208244292.db2.gz ZLOCLOUXQNKVQM-UHFFFAOYSA-N -1 0 388.530 1.978 50 0 GDAARM CCOCCNS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2ccncc2)cc1 ZINC000095944824 208240348 /nfs/dbraw/zinc/24/03/48/208240348.db2.gz BKUGGRIDNMHCBR-UHFFFAOYSA-N -1 0 385.467 1.197 50 0 GDAARM COc1cccc2c1OC[C@]1(C(=O)[O-])CN(C(=O)Cn3nc(C)cc3C)C[C@H]21 ZINC000096164370 208280417 /nfs/dbraw/zinc/28/04/17/208280417.db2.gz SWXYCZKBKRXAGV-FOIQADDNSA-N -1 0 385.420 1.598 50 0 GDAARM COc1ccc(/C=C\C(=O)[O-])cc1S(=O)(=O)N(C)c1ccccc1C(N)=O ZINC000096731708 208320154 /nfs/dbraw/zinc/32/01/54/208320154.db2.gz LBMBMURVNJZVCE-NTMALXAHSA-N -1 0 390.417 1.717 50 0 GDAARM COC(=O)c1[n-]n(-c2cccc(C)c2)c2c(O)n(-c3ccccc3OC)c(=O)c1-2 ZINC000100909577 208383900 /nfs/dbraw/zinc/38/39/00/208383900.db2.gz ACEPQLXHSXYKNL-WMZOPIPTSA-N -1 0 393.399 1.911 50 0 GDAARM COC(=O)c1[n-]n(C(C)=O)c2c(O)n(-c3ccc(Cl)c(Cl)c3)c(=O)c1-2 ZINC000101141558 208387281 /nfs/dbraw/zinc/38/72/81/208387281.db2.gz XZQCGJHDVLRDIM-JQWIXIFHSA-N -1 0 384.175 1.243 50 0 GDAARM O=C([O-])[C@@H]1CCCN1C(=O)[C@@H]1CCN(c2ccccc2Br)C1=O ZINC000238073747 208471125 /nfs/dbraw/zinc/47/11/25/208471125.db2.gz UQMBESWRBRFWMN-GWCFXTLKSA-N -1 0 381.226 1.878 50 0 GDAARM O=C([O-])CC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)NC2CCCCC2)C1=O ZINC000008844966 208699657 /nfs/dbraw/zinc/69/96/57/208699657.db2.gz UNZYSDGTWZQNPI-FQEVSTJZSA-N -1 0 387.436 1.747 50 0 GDAARM CC[C@@H](C)[C@H](NC(=O)N1CCn2c3ccccc3nc21)C(=O)N[C@@H](C)C(=O)[O-] ZINC000012664442 208772860 /nfs/dbraw/zinc/77/28/60/208772860.db2.gz UYKWAWINNHQVMM-XUJVJEKNSA-N -1 0 387.440 1.570 50 0 biogenic GDAARM CN(Cc1nc2cc(F)ccc2[nH]1)C(=O)CC[C@@]1(CCC(=O)[O-])CCC(=O)N1 ZINC000222538927 208876656 /nfs/dbraw/zinc/87/66/56/208876656.db2.gz IBINDXKJMNTQOE-LJQANCHMSA-N -1 0 390.415 1.954 50 0 GDAARM O=C([N-]N1CC(=O)NC1=O)c1cc(-c2ccco2)n(-c2cccc(Cl)c2)n1 ZINC000012553577 221206028 /nfs/dbraw/zinc/20/60/28/221206028.db2.gz LQLAXVXMUGTNQW-UHFFFAOYSA-N -1 0 385.767 1.982 50 0 GDAARM COc1ccc(OC)c(S(=O)(=O)[N-]c2cnc(N3CCOCC3)nc2)c1 ZINC000077196707 136171809 /nfs/dbraw/zinc/17/18/09/136171809.db2.gz JMTTXYHPDWENRZ-UHFFFAOYSA-N -1 0 380.426 1.131 50 0 GDAARM NC(=O)c1ccc2c(c1)CCCN2S(=O)(=O)c1ccc(OCC(=O)[O-])cc1 ZINC000095939628 136182662 /nfs/dbraw/zinc/18/26/62/136182662.db2.gz MPKGYWTXXWCNEZ-UHFFFAOYSA-N -1 0 390.417 1.390 50 0 GDAARM CC(C)(C(=O)[O-])c1cnc(NCc2cncn2C2CC2)nc1N1CCOCC1 ZINC000096150237 136184502 /nfs/dbraw/zinc/18/45/02/136184502.db2.gz JYCMYXTVAPWWBD-UHFFFAOYSA-N -1 0 386.456 1.819 50 0 GDAARM Cc1cc2ncc(C(=O)N3CCC[C@]4(CCC(=O)N(C5CC5)C4)C3)c(=O)n2[n-]1 ZINC000102864488 570256650 /nfs/dbraw/zinc/25/66/50/570256650.db2.gz GFKMBXDPFPGOOA-FQEVSTJZSA-N -1 0 383.452 1.338 50 0 GDAARM O=C1[N-]C(=O)/C(=C/c2ccc(OS(=O)(=O)c3ccc(F)cc3F)cc2)N1 ZINC000002152067 570276345 /nfs/dbraw/zinc/27/63/45/570276345.db2.gz IBLLLBVKWOGDOM-QPEQYQDCSA-N -1 0 380.328 1.913 50 0 GDAARM C[C@@]1(c2ccccc2)NC(=O)N([N-]C(=O)c2cnn(-c3ccccc3)c2)C1=O ZINC000010804193 570299626 /nfs/dbraw/zinc/29/96/26/570299626.db2.gz DKJQTAVLHCWELV-FQEVSTJZSA-N -1 0 375.388 1.984 50 0 GDAARM Cc1cccc(C[C@H](CNC(=O)[C@H]2CC(=O)N(Cc3ccco3)C2)C(=O)[O-])c1 ZINC000237693761 570390039 /nfs/dbraw/zinc/39/00/39/570390039.db2.gz MEJXTFVTYVGEFM-SJORKVTESA-N -1 0 384.432 1.996 50 0 GDAARM O=C([O-])C1(c2ccccc2)CCN(C(=O)Cn2c(=O)[nH]c3ccccc32)CC1 ZINC000238063180 570422810 /nfs/dbraw/zinc/42/28/10/570422810.db2.gz BYSMDYQOPHLHES-UHFFFAOYSA-N -1 0 379.416 1.975 50 0 GDAARM Cc1cccc(C[C@@H](CNC(=O)[C@H]2CC(=O)N(Cc3ccco3)C2)C(=O)[O-])c1 ZINC000237670322 570427227 /nfs/dbraw/zinc/42/72/27/570427227.db2.gz MEJXTFVTYVGEFM-IRXDYDNUSA-N -1 0 384.432 1.996 50 0 GDAARM COc1cccc(-c2nc3c([nH]c(=O)n3-c3cccc(C)c3)c(C(N)=O)n2)c1[O-] ZINC000005151621 570428763 /nfs/dbraw/zinc/42/87/63/570428763.db2.gz XPPZWMNDDBMCHY-UHFFFAOYSA-N -1 0 391.387 1.897 50 0 GDAARM Cn1nnc(-c2ccc(OCC(=O)N[C@H](Cc3ccccc3)C(=O)[O-])cc2)n1 ZINC000223232407 570451294 /nfs/dbraw/zinc/45/12/94/570451294.db2.gz MAIRIBSLSDPRLR-MRXNPFEDSA-N -1 0 381.392 1.068 50 0 GDAARM O=C(CN1C(=O)COc2ccccc21)n1cc(C(=O)c2ccccc2[O-])cn1 ZINC000006558862 570477433 /nfs/dbraw/zinc/47/74/33/570477433.db2.gz WUBSBYRBJRHEQR-UHFFFAOYSA-N -1 0 377.356 1.886 50 0 GDAARM CCOc1ccccc1N1C[C@H](C(=O)N2CCO[C@H](CC(=O)[O-])C2)CC1=O ZINC000268939805 570480311 /nfs/dbraw/zinc/48/03/11/570480311.db2.gz DPCJONSOEUWHQS-ZIAGYGMSSA-N -1 0 376.409 1.140 50 0 GDAARM Cc1c(C(=O)NC2(C(=O)[O-])CCCCC2)nnn1-c1ccc2c(c1)OCCO2 ZINC000067155660 570485539 /nfs/dbraw/zinc/48/55/39/570485539.db2.gz WRYIGCQYCCTLJC-UHFFFAOYSA-N -1 0 386.408 1.864 50 0 GDAARM CN(C)c1nc(N(C)C)nc(N(C)N=c2nc(NC(C)(C)C)nc(Cl)[n-]2)n1 ZINC000001030912 570548690 /nfs/dbraw/zinc/54/86/90/570548690.db2.gz PEYOMEOYFVQADE-UHFFFAOYSA-N -1 0 395.903 1.516 50 0 GDAARM CN1CC[NH+]([C@H](C(=O)[O-])c2c[nH]c3cc(NC(=O)/C=C/C(=O)[O-])ccc32)CC1 ZINC000036359370 570641000 /nfs/dbraw/zinc/64/10/00/570641000.db2.gz CRJHCRRBURVWMO-WRFKIARRSA-N -1 0 386.408 1.120 50 0 GDAARM Cn1nccc1C1=NN(C(=O)CCC(=O)[O-])[C@H](c2ccc3nccnc3c2)C1 ZINC000012390450 570642560 /nfs/dbraw/zinc/64/25/60/570642560.db2.gz YCHJWJTZARLTKO-KRWDZBQOSA-N -1 0 378.392 1.906 50 0 GDAARM CN1C(=O)C[C@@H](C(=O)Nc2ccn(CC(=O)[O-])n2)[C@@H]1c1cccc(Cl)c1 ZINC000263012346 570702102 /nfs/dbraw/zinc/70/21/02/570702102.db2.gz RJDJDTIYGMLXJD-WBMJQRKESA-N -1 0 376.800 1.779 50 0 GDAARM Cc1ccc(OCc2nc(CC(=O)N3CCO[C@H](C(=O)[O-])C3)cs2)cc1 ZINC000263063621 570702864 /nfs/dbraw/zinc/70/28/64/570702864.db2.gz YPDTTYSFLASAHW-HNNXBMFYSA-N -1 0 376.434 1.885 50 0 GDAARM CCn1nc(C)n2cc(S(=O)(=O)[N-]c3cc(C)ccc3OC)cc2c1=O ZINC000065247037 570747587 /nfs/dbraw/zinc/74/75/87/570747587.db2.gz OHELZISWRRZSMM-UHFFFAOYSA-N -1 0 376.438 1.942 50 0 GDAARM O=C(c1ccc(NCc2nnn[n-]2)nc1)N1CCC(Oc2cccnc2)CC1 ZINC000067695166 570787429 /nfs/dbraw/zinc/78/74/29/570787429.db2.gz SQORIARERBEOFR-UHFFFAOYSA-N -1 0 380.412 1.285 50 0 GDAARM O=S(=O)(c1ccc(O)c(NC(=S)NCc2ccco2)c1)N1CCOCC1 ZINC000005895204 570801728 /nfs/dbraw/zinc/80/17/28/570801728.db2.gz ITJKXNPENANGPX-UHFFFAOYSA-N -1 0 397.478 1.493 50 0 GDAARM CC(C)Oc1ccc([C@H](CC(=O)[O-])NC(=O)CSc2nc(N)n[nH]2)cc1 ZINC000004653735 570806286 /nfs/dbraw/zinc/80/62/86/570806286.db2.gz AJBWQGKSKSVROK-LBPRGKRZSA-N -1 0 379.442 1.598 50 0 GDAARM Cn1cc(S(=O)(=O)NC[C@@H](c2ccco2)N2CCCCC2)cc1C(=O)[O-] ZINC000237705961 570944456 /nfs/dbraw/zinc/94/44/56/570944456.db2.gz VFYDFUHMHHVXMQ-HNNXBMFYSA-N -1 0 381.454 1.822 50 0 GDAARM CCn1c(=O)c([C@H]2OC(=O)c3c2ccc(OC)c3OC)c([O-])nc1SC ZINC000002145383 570971082 /nfs/dbraw/zinc/97/10/82/570971082.db2.gz WQIVEIKTKVFONQ-LBPRGKRZSA-N -1 0 378.406 1.968 50 0 biogenic GDAARM COC(=O)CNC(=O)c1ccc([N-]S(=O)(=O)c2cc(C)ccc2OC)cc1 ZINC000007725851 571023924 /nfs/dbraw/zinc/02/39/24/571023924.db2.gz TVGLMOBEIZDAOO-UHFFFAOYSA-N -1 0 392.433 1.707 50 0 GDAARM O=C([O-])CCN(C[C@@H]1CCCO1)C(=O)c1cc(N2CCNC2=O)ccc1F ZINC000299751909 600399980 /nfs/dbraw/zinc/39/99/80/600399980.db2.gz SGUKWGXFKADELG-ZDUSSCGKSA-N -1 0 379.388 1.451 50 0 GDAARM CCOc1cc(C(=O)N2CC[C@](O)(C(F)(F)F)C2)ccc1OCC(=O)[O-] ZINC000262385280 600802099 /nfs/dbraw/zinc/80/20/99/600802099.db2.gz JDEDYDNYTUUROF-OAHLLOKOSA-N -1 0 377.315 1.688 50 0 GDAARM O=C([O-])C1(C(=O)N[C@H]2CCN(c3cccc(Br)c3)C2=O)CCC1 ZINC000630262352 653203092 /nfs/dbraw/zinc/20/30/92/653203092.db2.gz LPQAVMFWFNEFPG-LBPRGKRZSA-N -1 0 381.226 1.926 50 0 GDAARM Cn1cc(S(=O)(=O)NC[C@H]2CCN(c3ccccc3F)C2)cc1C(=O)[O-] ZINC000292681898 962906838 /nfs/dbraw/zinc/90/68/38/962906838.db2.gz RBKCDMZIGOBMCE-GFCCVEGCSA-N -1 0 381.429 1.667 50 0 GDAARM O=C([O-])CCN(C[C@H]1CCCO1)C(=O)CCN1C(=O)COc2ccccc21 ZINC000408513371 231048584 /nfs/dbraw/zinc/04/85/84/231048584.db2.gz ZYLDVKIADWFDBO-CQSZACIVSA-N -1 0 376.409 1.284 50 0 GDAARM NC(=O)CC[C@@H](NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1)C(=O)[O-] ZINC000002638911 530532624 /nfs/dbraw/zinc/53/26/24/530532624.db2.gz OBQXVMCPJCRGJK-SECBINFHSA-N -1 0 388.751 1.356 50 0 GDAARM O=C(Nc1ccc(Cl)c(Cl)c1)N1CCN(c2n[nH]c(=O)[n-]c2=O)CC1 ZINC000006650964 530542236 /nfs/dbraw/zinc/54/22/36/530542236.db2.gz XGFDGUMUTOABEB-UHFFFAOYSA-N -1 0 385.211 1.119 50 0 GDAARM COc1ccc(OC)c(S(=O)(=O)[N-]NC(=S)NCc2ccccc2)c1 ZINC000007066935 530543471 /nfs/dbraw/zinc/54/34/71/530543471.db2.gz DINTWYPYSNZRFL-UHFFFAOYSA-N -1 0 381.479 1.561 50 0 GDAARM CNS(=O)(=O)c1ccc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2C)cc1 ZINC000012630547 530557074 /nfs/dbraw/zinc/55/70/74/530557074.db2.gz KLMUNFXTILVCIC-UHFFFAOYSA-N -1 0 384.435 1.402 50 0 GDAARM Cc1ccc(S(=O)(=O)[N-]C(=O)[C@@H]2CSCN2C(=O)C2CCCC2)cc1 ZINC000072310856 530806119 /nfs/dbraw/zinc/80/61/19/530806119.db2.gz DZWAJGLFYNNSEK-HNNXBMFYSA-N -1 0 382.507 1.892 50 0 GDAARM Cc1c(Br)cc(S(=O)(=O)N2CCOC[C@H]2C)cc1C(=O)[O-] ZINC000126353481 531017481 /nfs/dbraw/zinc/01/74/81/531017481.db2.gz IZVULCNNMKOZPX-MRVPVSSYSA-N -1 0 378.244 1.865 50 0 GDAARM CC(=O)Nc1ncc(S(=O)(=O)[N-]C(=O)[C@H]2COc3ccccc3C2)s1 ZINC000225856510 531031865 /nfs/dbraw/zinc/03/18/65/531031865.db2.gz AMJXXZOIWCGEKE-LLVKDONJSA-N -1 0 381.435 1.158 50 0 GDAARM O=C([O-])C1(NC(=O)[C@@H]2CC(=O)N(c3ccccc3Br)C2)CCC1 ZINC000237958592 531052829 /nfs/dbraw/zinc/05/28/29/531052829.db2.gz HAOWFLGYSFLHBH-SNVBAGLBSA-N -1 0 381.226 1.926 50 0 GDAARM O=C1NC(=S)NC1=Cc1cc(Br)c(I)o1 ZINC000136498152 531114705 /nfs/dbraw/zinc/11/47/05/531114705.db2.gz WVRSVRZDVHIQQV-DJWKRKHSSA-N -1 0 399.007 1.992 50 0 GDAARM COc1cc(Br)cc(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)c1 ZINC000262483602 531122051 /nfs/dbraw/zinc/12/20/51/531122051.db2.gz WFVXKDLXAAMJLI-SECBINFHSA-N -1 0 378.244 1.943 50 0 GDAARM Cc1c(Br)cc(NS(=O)(=O)N2CCOCC2)cc1C(=O)[O-] ZINC000283933517 531909757 /nfs/dbraw/zinc/90/97/57/531909757.db2.gz QJFVNFGJOZRGPO-UHFFFAOYSA-N -1 0 379.232 1.445 50 0 GDAARM CC(=O)[N-]S(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000001088039 206350503 /nfs/dbraw/zinc/35/05/03/206350503.db2.gz PIUWHUQQIDKLPM-UHFFFAOYSA-N -1 0 388.854 1.966 50 0 GDAARM CCc1nnsc1C(=O)Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1 ZINC000010213413 206373948 /nfs/dbraw/zinc/37/39/48/206373948.db2.gz JEJPGDHJOUNUPT-UHFFFAOYSA-N -1 0 390.450 1.944 50 0 GDAARM O=C(Cn1[nH][n-]c2c(=O)n(-c3ccc(F)c(F)c3)c(=O)c1=2)Nc1ccccc1 ZINC000004483971 206522414 /nfs/dbraw/zinc/52/24/14/206522414.db2.gz ROLSDRVKIWUKMX-HOTGVXAUSA-N -1 0 385.330 1.897 50 0 GDAARM Cc1ccc(C(=O)[O-])c(OCC(=O)N2CCN(CC(=O)NC(C)(C)C)CC2)c1 ZINC000007738049 206722893 /nfs/dbraw/zinc/72/28/93/206722893.db2.gz CPXGIGCLAPGJDF-UHFFFAOYSA-N -1 0 391.468 1.131 50 0 GDAARM O=C([O-])CCCCCNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1 ZINC000009340904 206784059 /nfs/dbraw/zinc/78/40/59/206784059.db2.gz CNZGJNOIWAJFKQ-HNNXBMFYSA-N -1 0 382.482 1.849 50 0 GDAARM COc1cc([C@H]2CC(c3c([O-])[nH]c(=S)n(C)c3=O)=NN2)cc(OC)c1O ZINC000015834732 207063884 /nfs/dbraw/zinc/06/38/84/207063884.db2.gz KZMDTBHEBVDFDS-MRVPVSSYSA-N -1 0 378.410 1.310 50 0 GDAARM COc1cccc([C@H](c2c([O-])[nH]c(=S)[nH]c2=O)N2CCOCC2)c1OC ZINC000020156088 207180312 /nfs/dbraw/zinc/18/03/12/207180312.db2.gz AHFCJRSSBDFBTI-CYBMUJFWSA-N -1 0 379.438 1.577 50 0 GDAARM O=C([O-])[C@H](c1c[nH]c2ccccc21)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC000020735905 207213301 /nfs/dbraw/zinc/21/33/01/207213301.db2.gz HHNVUPPKPJDIPA-GUYCJALGSA-N -1 0 377.466 1.098 50 0 GDAARM Cc1ccc(F)cc1NS(=O)(=O)c1ccc2c(c1)N(CC(=O)[O-])C(=O)CO2 ZINC000022990121 207266907 /nfs/dbraw/zinc/26/69/07/207266907.db2.gz AJBCMNZHIFRJCU-UHFFFAOYSA-N -1 0 394.380 1.745 50 0 GDAARM CNC(=O)c1cc(S(=O)(=O)[N-]c2cccc(NC(=O)NC(C)C)c2)cn1C ZINC000032098621 207392983 /nfs/dbraw/zinc/39/29/83/207392983.db2.gz OGXCZSKJMXUPJU-UHFFFAOYSA-N -1 0 393.469 1.715 50 0 GDAARM CCn1cc(C(=O)N[C@H](CCSC)C(=O)[O-])c(=O)c2cc3c(cc21)OCO3 ZINC000032603282 207398867 /nfs/dbraw/zinc/39/88/67/207398867.db2.gz CDEPUFCWFZWFNW-GFCCVEGCSA-N -1 0 392.433 1.686 50 0 GDAARM O=C([O-])[C@H](Cc1ccccc1)NC(=O)Cn1nc(-c2cccs2)ccc1=O ZINC000049546111 207709529 /nfs/dbraw/zinc/70/95/29/207709529.db2.gz SGGSAHHCVBZTRQ-HNNXBMFYSA-N -1 0 383.429 1.784 50 0 GDAARM CCOCCn1c(=O)n([C@@H](CC)C(=O)NC(C)(C)C)c2cc(C(=O)[O-])cnc21 ZINC000055100036 207731967 /nfs/dbraw/zinc/73/19/67/207731967.db2.gz LHHOQUBKYDLLTD-ZDUSSCGKSA-N -1 0 392.456 1.799 50 0 GDAARM CC[C@H](C)[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)[N-]O[C@@H]1CCCCO1 ZINC000058415898 207778494 /nfs/dbraw/zinc/77/84/94/207778494.db2.gz RMZZRGDJAQMITA-MAZHCROVSA-N -1 0 395.481 1.714 50 0 GDAARM O=C([C@@H]1CCOC1)N1CCc2ccc(S(=O)(=O)[N-]c3cccnc3)cc2C1 ZINC000077519833 208049021 /nfs/dbraw/zinc/04/90/21/208049021.db2.gz ZVLLGTUUNMEOJU-OAHLLOKOSA-N -1 0 387.461 1.804 50 0 GDAARM COc1cccc([C@@H]2CN(C(=O)c3ccc(CO)o3)C[C@H]2C(=O)[O-])c1OC ZINC000091451901 208120409 /nfs/dbraw/zinc/12/04/09/208120409.db2.gz HSAMYNWXEOTNSI-UONOGXRCSA-N -1 0 375.377 1.730 50 0 GDAARM Cc1nc(-c2ccccc2)sc1C(=O)N[C@@H](CCCNC(N)=O)C(=O)[O-] ZINC000094992899 208149932 /nfs/dbraw/zinc/14/99/32/208149932.db2.gz XWPGRFLGDKRZRP-LBPRGKRZSA-N -1 0 376.438 1.750 50 0 GDAARM COc1ccc(CNC(=O)CNS(=O)(=O)c2ccc(C(=O)[O-])cc2)cc1C ZINC000095424349 208180945 /nfs/dbraw/zinc/18/09/45/208180945.db2.gz ATDIFGBUSZZEDV-UHFFFAOYSA-N -1 0 392.433 1.297 50 0 GDAARM O=S(=O)([N-]c1ccncc1)c1ccc(S(=O)(=O)NCc2ccco2)cc1 ZINC000095944799 208239344 /nfs/dbraw/zinc/23/93/44/208239344.db2.gz CGTKLESJSBGXKF-UHFFFAOYSA-N -1 0 393.446 1.954 50 0 GDAARM CS(=O)(=O)c1ccccc1S(=O)(=O)N1c2ccccc2C[C@@H]1C(=O)[O-] ZINC000096005687 208250003 /nfs/dbraw/zinc/25/00/03/208250003.db2.gz KNYHCXRPCBDMQP-CYBMUJFWSA-N -1 0 381.431 1.295 50 0 GDAARM O=C([O-])[C@H]1c2nc[nH]c2CCN1C(=O)CCCc1nc(-c2cccnc2)no1 ZINC000096180612 208284838 /nfs/dbraw/zinc/28/48/38/208284838.db2.gz WROQUHNHWCQKRB-MRXNPFEDSA-N -1 0 382.380 1.388 50 0 GDAARM CCOC(=O)/C=C\c1ccc([N-]S(=O)(=O)c2cc(C(N)=O)n(C)c2)cc1 ZINC000097003095 208333202 /nfs/dbraw/zinc/33/32/02/208333202.db2.gz YINSJEMJURQIKB-TWGQIWQCSA-N -1 0 377.422 1.501 50 0 GDAARM CCCCn1c([O-])c(C2=NN[C@H](c3cc(OC)ccc3OC)C2)c(=O)[nH]c1=O ZINC000101761901 208398276 /nfs/dbraw/zinc/39/82/76/208398276.db2.gz OFHKXBSREDDGKH-ZDUSSCGKSA-N -1 0 388.424 1.498 50 0 GDAARM O=C(NCc1n[nH]c(=O)[n-]1)Nc1cc(C(=O)N2CCCCC2)ccc1Cl ZINC000299794455 209091596 /nfs/dbraw/zinc/09/15/96/209091596.db2.gz KRBQQYFMTWFWCN-UHFFFAOYSA-N -1 0 378.820 1.699 50 0 GDAARM Cn1cc(S(=O)(=O)[N-]c2ccc(CC(=O)NCC(F)(F)F)cc2)cn1 ZINC000096103650 209009559 /nfs/dbraw/zinc/00/95/59/209009559.db2.gz KBZDEABNCILZKV-UHFFFAOYSA-N -1 0 376.360 1.442 50 0 GDAARM O=C([O-])c1ccnc(-c2ccnc(N3CCC(O)(Cn4ccnc4)CC3)n2)c1 ZINC000072426731 136170035 /nfs/dbraw/zinc/17/00/35/136170035.db2.gz KXAGSBGQQWTDQZ-UHFFFAOYSA-N -1 0 380.408 1.465 50 0 GDAARM CC(C)(C(=O)[O-])c1cnc(NCCc2cscn2)nc1N1CCOCC1 ZINC000096164361 136184801 /nfs/dbraw/zinc/18/48/01/136184801.db2.gz LPWCITGJNQWAJM-UHFFFAOYSA-N -1 0 377.470 1.787 50 0 GDAARM Cc1noc(C)c1CN1CCc2c(C(=O)NCc3n[nH]c(=O)[n-]3)csc2C1 ZINC000426419766 534365141 /nfs/dbraw/zinc/36/51/41/534365141.db2.gz MMPBXGSELYWHKG-UHFFFAOYSA-N -1 0 388.453 1.665 50 0 GDAARM O=C([O-])[C@H](Cc1ccccc1)NC(=O)N1CCCN(Cc2ccncc2)CC1 ZINC000426380168 534527722 /nfs/dbraw/zinc/52/77/22/534527722.db2.gz UDUNKYHZLDBIHY-IBGZPJMESA-N -1 0 382.464 1.995 50 0 GDAARM Cc1nn(-c2nc(C)cc(C)n2)c(C)c1CC(=O)N1CCO[C@H](CC(=O)[O-])C1 ZINC000262745476 527568739 /nfs/dbraw/zinc/56/87/39/527568739.db2.gz JTHAFRRCXUGHBF-OAHLLOKOSA-N -1 0 387.440 1.141 50 0 GDAARM O=C([O-])[C@H]1CN(C(=O)c2nc(-c3ccccc3)n(-c3ccccc3)n2)CCO1 ZINC000485836515 570323395 /nfs/dbraw/zinc/32/33/95/570323395.db2.gz WRVBSDDPMINQJO-MRXNPFEDSA-N -1 0 378.388 1.860 50 0 GDAARM COc1ccc(S(=O)(=O)N(C)CC(=O)[O-])cc1C(=O)NC1CCCCC1 ZINC000007101766 570325541 /nfs/dbraw/zinc/32/55/41/570325541.db2.gz FFRAGFXTMQJSHI-UHFFFAOYSA-N -1 0 384.454 1.463 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50 0 GDAARM O=C([O-])CCC(=O)N1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 ZINC000017080755 207084744 /nfs/dbraw/zinc/08/47/44/207084744.db2.gz PUMMXRXSDJEFFT-UHFFFAOYSA-N -1 0 395.264 1.691 50 0 GDAARM O=C([O-])CSCC(=O)Nc1ccc(S(=O)(=O)NCc2ccccc2)cc1 ZINC000017080607 207084586 /nfs/dbraw/zinc/08/45/86/207084586.db2.gz DXLPRBMUOFYLQZ-UHFFFAOYSA-N -1 0 394.474 1.921 50 0 GDAARM CCOC(=O)CSc1nnc([N-]C(=O)c2nc3nc(C)cc(C)n3n2)s1 ZINC000020859302 207216773 /nfs/dbraw/zinc/21/67/73/207216773.db2.gz FESPWZOMWNLFNA-UHFFFAOYSA-N -1 0 393.454 1.500 50 0 GDAARM Cc1cc(C)n2ncc(C(=O)[N-]N3C(=O)N[C@@](C)(c4ccccc4)C3=O)c2n1 ZINC000040069189 207336236 /nfs/dbraw/zinc/33/62/36/207336236.db2.gz VSWFBMAQCGXHOR-IBGZPJMESA-N -1 0 378.392 1.458 50 0 GDAARM O=C([O-])/C=C/C(=O)Nc1ccc2[nH]cc([C@H](C(=O)[O-])[NH+]3CCSCC3)c2c1 ZINC000032094510 207391139 /nfs/dbraw/zinc/39/11/39/207391139.db2.gz YGYBBOZMRKECTI-REMYHPOOSA-N -1 0 389.433 1.922 50 0 GDAARM CNS(=O)(=O)c1cc(C(=O)N2[C@@H]3CCCC[C@H]3C[C@H]2C(=O)[O-])ccc1OC ZINC000299377631 207622379 /nfs/dbraw/zinc/62/23/79/207622379.db2.gz UFNAOPBMLZWKSN-YUTCNCBUSA-N -1 0 396.465 1.461 50 0 GDAARM O=C([O-])[C@@H]1CCCCN1C(=O)c1ccc2c(c1)S(=O)(=O)N(C1CC1)C2=O ZINC000299749938 207670192 /nfs/dbraw/zinc/67/01/92/207670192.db2.gz MDRFRULFTBJVBZ-ZDUSSCGKSA-N -1 0 378.406 1.073 50 0 GDAARM Cc1noc2nc(C)cc(C(=O)N3CCC[C@H](Cn4cc(C(=O)[O-])nn4)C3)c12 ZINC000067934825 207917474 /nfs/dbraw/zinc/91/74/74/207917474.db2.gz TXNRLFXBDWFXIL-LBPRGKRZSA-N -1 0 384.396 1.682 50 0 GDAARM Cc1cc([N-]S(=O)(=O)c2ccc3c(c2)CN(C(=O)c2cccnn2)CC3)no1 ZINC000077565668 208049701 /nfs/dbraw/zinc/04/97/01/208049701.db2.gz ASKKBRGREYOBNH-UHFFFAOYSA-N -1 0 399.432 1.772 50 0 GDAARM CCC[C@H](C)C(=O)N1CCc2ccc(S(=O)(=O)[N-]c3nn[nH]n3)cc2C1 ZINC000077355433 208040619 /nfs/dbraw/zinc/04/06/19/208040619.db2.gz ZHSHQCSUCYUXGY-NSHDSACASA-N -1 0 378.458 1.321 50 0 GDAARM CCCCCC(=O)N1CCc2ccc(S(=O)(=O)[N-]c3nn[nH]n3)cc2C1 ZINC000077375839 208041680 /nfs/dbraw/zinc/04/16/80/208041680.db2.gz 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CC[C@]1(c2ccc(NC(=O)c3nccnc3C(=O)[O-])cc2)CCC(=O)NC1=O ZINC000071282626 570889208 /nfs/dbraw/zinc/88/92/08/570889208.db2.gz PGRHXKLPWMUUEC-LJQANCHMSA-N -1 0 382.376 1.512 50 0 GDAARM CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(C(=O)NCC(=O)[O-])CC1 ZINC000004061677 570927654 /nfs/dbraw/zinc/92/76/54/570927654.db2.gz FREXSNUSNHANHJ-AWEZNQCLSA-N -1 0 399.488 1.365 50 0 biogenic GDAARM O=C([O-])c1cc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)ccc1O ZINC000007778680 571036462 /nfs/dbraw/zinc/03/64/62/571036462.db2.gz FDEOMGRPMOFFQC-UHFFFAOYSA-N -1 0 376.434 1.597 50 0 GDAARM O=C([O-])[C@@H]1CN(C(=O)c2nn(Cc3ccccc3)c(=O)c3ccccc32)CCO1 ZINC000299749300 599946757 /nfs/dbraw/zinc/94/67/57/599946757.db2.gz JWKRADRSVUCBEV-KRWDZBQOSA-N -1 0 393.399 1.370 50 0 GDAARM O=C([O-])CCN(C[C@H]1CCCO1)C(=O)CN1C(=O)CSc2ccccc21 ZINC000299749214 600488497 /nfs/dbraw/zinc/48/84/97/600488497.db2.gz JMDHXKOAPNWGPR-CYBMUJFWSA-N -1 0 378.450 1.608 50 0 GDAARM CC(=O)NCc1ccc(S(=O)(=O)[N-]C(=O)CSCc2ccco2)cc1 ZINC000864097595 655890217 /nfs/dbraw/zinc/89/02/17/655890217.db2.gz XYYGVGYTCJDDKJ-UHFFFAOYSA-N -1 0 382.463 1.654 50 0 GDAARM O=C([O-])[C@H]1CC(=O)N(C2CCN(C(=O)c3ncccc3C(F)(F)F)CC2)C1 ZINC000653311256 954128591 /nfs/dbraw/zinc/12/85/91/954128591.db2.gz PARRQQVXSSHMAC-JTQLQIEISA-N -1 0 385.342 1.638 50 0 GDAARM O=C([O-])[C@H]1CCCN(S(=O)(=O)c2ccc(C(=O)N3CCCC3)c(F)c2)C1 ZINC000262435824 961720323 /nfs/dbraw/zinc/72/03/23/961720323.db2.gz PBNNHGGCZCXTRM-LBPRGKRZSA-N -1 0 384.429 1.547 50 0 GDAARM Cc1cc(S(C)(=O)=O)cc(C(=O)N[C@H](Cc2ccncc2)C(=O)[O-])c1C ZINC000585091132 974960540 /nfs/dbraw/zinc/96/05/40/974960540.db2.gz CDAVBKNKHAAQHY-MRXNPFEDSA-N -1 0 376.434 1.528 50 0 GDAARM O=C(Cn1cc(Br)c(=O)[nH]c1=O)N1CC=C(c2ccccc2)CC1 ZINC000008726454 530549692 /nfs/dbraw/zinc/54/96/92/530549692.db2.gz GJUULDQFMWNXSO-UHFFFAOYSA-N -1 0 390.237 1.615 50 0 GDAARM COC1CCN(S(=O)(=O)c2ccc(Br)c(C(=O)[O-])c2)CC1 ZINC000013454890 530559252 /nfs/dbraw/zinc/55/92/52/530559252.db2.gz FWPDWDZYDOHZDT-UHFFFAOYSA-N -1 0 378.244 1.947 50 0 GDAARM COCCCNS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2nccs2)cc1 ZINC000170598644 530586010 /nfs/dbraw/zinc/58/60/10/530586010.db2.gz POHOZCFDHYHSIS-UHFFFAOYSA-N -1 0 391.496 1.259 50 0 GDAARM COC(=O)Cn1cc(S(=O)(=O)[N-]c2ccc3c(c2)OC(F)(F)O3)cn1 ZINC000072301894 530805845 /nfs/dbraw/zinc/80/58/45/530805845.db2.gz NIKRINFPXXVMLV-UHFFFAOYSA-N -1 0 375.309 1.178 50 0 GDAARM O=C([O-])C[C@@H]1CN(C(=O)c2cn(-c3ccc(Br)cc3)cn2)CCO1 ZINC000238199230 531055421 /nfs/dbraw/zinc/05/54/21/531055421.db2.gz FSWVDHDOWNBQFJ-CYBMUJFWSA-N -1 0 394.225 1.951 50 0 GDAARM CCC[C@@H](C(=O)OCC)S(=O)(=O)[N-]c1cccn(CC(F)(F)F)c1=O ZINC000253424150 531092021 /nfs/dbraw/zinc/09/20/21/531092021.db2.gz AYEDJMMGYTYKSB-NSHDSACASA-N -1 0 384.376 1.884 50 0 GDAARM COc1cc(C)c(S(=O)(=O)NCC2(C(=O)[O-])CCOCC2)cc1Cl ZINC000278630144 531374403 /nfs/dbraw/zinc/37/44/03/531374403.db2.gz IACGXBOBZMGFSN-UHFFFAOYSA-N -1 0 377.846 1.817 50 0 GDAARM COCCN(CC(=O)[O-])C(=O)c1ccc(N2CCCS2(=O)=O)cc1Cl ZINC000299744127 532025053 /nfs/dbraw/zinc/02/50/53/532025053.db2.gz NPIVLOTWZCJNSS-UHFFFAOYSA-N -1 0 390.845 1.053 50 0 GDAARM C[C@H](C(=O)[O-])N(C)C(=O)CCN1C(=O)COc2cc(Br)ccc21 ZINC000299753862 532025210 /nfs/dbraw/zinc/02/52/10/532025210.db2.gz ZOXRCOFCKMHXJM-SECBINFHSA-N -1 0 385.214 1.496 50 0 GDAARM O=C([O-])C[C@@H](NC(=O)[C@H]1CCS(=O)(=O)C1)c1ccc(Br)cc1 ZINC000299746683 532025233 /nfs/dbraw/zinc/02/52/33/532025233.db2.gz ZCLMFSFHCQKHAQ-CMPLNLGQSA-N -1 0 390.255 1.516 50 0 GDAARM CS(=O)(=O)c1ccc(Cl)c(C(=O)N(CCC(=O)[O-])C[C@@H]2CCCO2)c1 ZINC000328595392 206229680 /nfs/dbraw/zinc/22/96/80/206229680.db2.gz TWXOQMMMUUTJBN-NSHDSACASA-N -1 0 389.857 1.839 50 0 GDAARM COC(=O)Cc1nnc([N-]S(=O)(=O)c2ccc(C)c(C(=O)OC(C)C)c2)[nH]1 ZINC000328594206 206229808 /nfs/dbraw/zinc/22/98/08/206229808.db2.gz YVKCVZYRYIBRPV-UHFFFAOYSA-N -1 0 396.425 1.195 50 0 GDAARM O=C([O-])[C@H](Cc1c[nH]c2ccccc12)NC(=O)CN1Cc2ccccc2C1=O ZINC000020761909 206295922 /nfs/dbraw/zinc/29/59/22/206295922.db2.gz GUPDNGGAZSGPES-SFHVURJKSA-N -1 0 377.400 1.936 50 0 biogenic GDAARM Cn1c(=O)cc(NC2=C([O-])N(c3ccc(Cl)cc3Cl)C(=O)C2)n(C)c1=O ZINC000000795130 206321672 /nfs/dbraw/zinc/32/16/72/206321672.db2.gz PXPFLNHVNNHQRH-JTQLQIEISA-N -1 0 397.218 1.135 50 0 GDAARM Cc1ccnc([N-]S(=O)(=O)c2ccc(NC(=O)[C@@H]3CCCNC3=O)cc2)n1 ZINC000000915623 206333588 /nfs/dbraw/zinc/33/35/88/206333588.db2.gz YSBBGIADUUVVSF-CQSZACIVSA-N -1 0 389.437 1.051 50 0 GDAARM CC(=O)N/C(=C\c1ccc(F)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)[O-] ZINC000004491682 206524583 /nfs/dbraw/zinc/52/45/83/206524583.db2.gz XMQPWWIUEDFHNR-BHEJFATLSA-N -1 0 386.379 1.820 50 0 GDAARM CC(C)C[C@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1)C(=O)[O-] ZINC000006645548 206659555 /nfs/dbraw/zinc/65/95/55/206659555.db2.gz ZQGYQMJCMOKJJD-ZBFHGGJFSA-N -1 0 382.482 1.703 50 0 GDAARM Cc1cccn2c(=O)c3c(nc12)N1CCCCC[C@@H]1[C@]1(C3)C(=O)[N-]C(=O)NC1=O ZINC000018203336 207095375 /nfs/dbraw/zinc/09/53/75/207095375.db2.gz STZXAWZXLACEAY-CYBMUJFWSA-N -1 0 395.419 1.501 50 0 GDAARM NC(=O)NCCC[C@@H](NC(=O)Cc1csc(-c2ccc(F)cc2)n1)C(=O)[O-] ZINC000020726012 207212407 /nfs/dbraw/zinc/21/24/07/207212407.db2.gz HBOLYXCQGJLXEL-CYBMUJFWSA-N -1 0 394.428 1.510 50 0 GDAARM O=C([O-])[C@@H](c1c[nH]c2cc(F)ccc21)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC000020745713 207213770 /nfs/dbraw/zinc/21/37/70/207213770.db2.gz JVIGFZWXHVQWLW-SUMWQHHRSA-N -1 0 395.456 1.237 50 0 GDAARM Cc1cccc(NS(=O)(=O)c2ccc3c(c2)N(CC(=O)[O-])C(=O)CO3)c1C ZINC000022990094 207266519 /nfs/dbraw/zinc/26/65/19/207266519.db2.gz JCAWLEXTXIRJGA-UHFFFAOYSA-N -1 0 390.417 1.914 50 0 GDAARM Cc1nc(-c2cnn(C)c2)sc1C(=O)N(CCC(=O)[O-])C1CCOCC1 ZINC000299752273 207676072 /nfs/dbraw/zinc/67/60/72/207676072.db2.gz TWJYQXCGXANNAM-UHFFFAOYSA-N -1 0 378.454 1.948 50 0 GDAARM COc1cccc(-c2ccc(=O)n(CC(=O)N[C@@H](CCSC)C(=O)[O-])n2)c1 ZINC000049544058 207709744 /nfs/dbraw/zinc/70/97/44/207709744.db2.gz XZFNTNQZSOKFMS-HNNXBMFYSA-N -1 0 391.449 1.241 50 0 GDAARM Cc1nc(C(=O)N2CC3(C[C@H]2C(=O)[O-])CCN(C(=O)C2CC2)CC3)c(C)o1 ZINC000072427368 208021065 /nfs/dbraw/zinc/02/10/65/208021065.db2.gz WFVBGZROKNUAHA-AWEZNQCLSA-N -1 0 375.425 1.609 50 0 GDAARM Cc1cc(-c2nn(C)c(Cl)c2CN2CCc3nc[nH]c3[C@@H]2C(=O)[O-])no1 ZINC000072433227 208024554 /nfs/dbraw/zinc/02/45/54/208024554.db2.gz ZLMQMWSGIUBXSE-CQSZACIVSA-N -1 0 376.804 1.944 50 0 GDAARM Cc1cc([N-]S(=O)(=O)c2ccc3c(c2)CN(C(=O)[C@@H](O)C(C)C)CC3)no1 ZINC000077469880 208046137 /nfs/dbraw/zinc/04/61/37/208046137.db2.gz OYRTYCFJGONYQN-KRWDZBQOSA-N -1 0 393.465 1.685 50 0 GDAARM CC1CCN(c2nnc(SCc3n[nH]c(=O)[n-]3)n2Cc2ccco2)CC1 ZINC000092870204 208148877 /nfs/dbraw/zinc/14/88/77/208148877.db2.gz GUNHVSRHLTVEQF-UHFFFAOYSA-N -1 0 375.458 1.859 50 0 GDAARM CN1C(=O)C[C@H](C(=O)[O-])C12CCN(C(=O)c1cccc(-c3ncc[nH]3)c1)CC2 ZINC000095354839 208157170 /nfs/dbraw/zinc/15/71/70/208157170.db2.gz FKSWMQMKCKIYNA-OAHLLOKOSA-N -1 0 382.420 1.614 50 0 GDAARM CCS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2ncn(-c3ccccn3)n2)cc1 ZINC000095457211 208185905 /nfs/dbraw/zinc/18/59/05/208185905.db2.gz QJLYABLPERFWPP-UHFFFAOYSA-N -1 0 393.450 1.257 50 0 GDAARM Cn1cc(S(=O)(=O)[N-]c2ccc3nc(C4CCC4)[nH]c3c2)c(=O)n(C)c1=O ZINC000095457226 208187076 /nfs/dbraw/zinc/18/70/76/208187076.db2.gz JUYUACFTILDEIZ-UHFFFAOYSA-N -1 0 389.437 1.029 50 0 GDAARM CN(C)C(=O)N1C[C@@H]2CN(C(=O)c3ccc(Cl)cc3F)C[C@]2(C(=O)[O-])C1 ZINC000096147907 208274676 /nfs/dbraw/zinc/27/46/76/208274676.db2.gz ZMDHVPWIJKBJTE-BTDLBPIBSA-N -1 0 383.807 1.619 50 0 GDAARM COc1ccc(S(=O)(=O)N[C@@H](C(=O)N2CC[C@](C)(C(=O)[O-])C2)C(C)C)cc1 ZINC000095970831 208248364 /nfs/dbraw/zinc/24/83/64/208248364.db2.gz GQCAFOMLSYDEBB-QAPCUYQASA-N -1 0 398.481 1.321 50 0 GDAARM CS(=O)(=O)c1ccccc1S(=O)(=O)N1c2ccccc2C[C@H]1C(=O)[O-] ZINC000096005688 208250422 /nfs/dbraw/zinc/25/04/22/208250422.db2.gz KNYHCXRPCBDMQP-ZDUSSCGKSA-N -1 0 381.431 1.295 50 0 GDAARM COc1ccc(C(N)=O)cc1[N-]S(=O)(=O)c1ccc2c(c1)oc(=O)n2C ZINC000041091471 208387881 /nfs/dbraw/zinc/38/78/81/208387881.db2.gz MEQDXCIDWNNSQF-UHFFFAOYSA-N -1 0 377.378 1.040 50 0 GDAARM O=C(Cn1[nH][n-]c2c(=O)n(-c3ccc(F)cc3)c(=O)c1=2)Nc1cccc(F)c1 ZINC000101388079 208391033 /nfs/dbraw/zinc/39/10/33/208391033.db2.gz RMEGTBTVZPVHOY-JKSUJKDBSA-N -1 0 385.330 1.897 50 0 GDAARM O=C(Cn1[nH][n-]c2c(=O)n(-c3cccc(F)c3)c(=O)c1=2)Nc1cccc(F)c1 ZINC000103085907 208414953 /nfs/dbraw/zinc/41/49/53/208414953.db2.gz KWWZVRLVAGZKGI-CVEARBPZSA-N -1 0 385.330 1.897 50 0 GDAARM CN1CC[NH+]([C@H]2CCN(c3cccc(C(=O)[O-])n3)C[C@H]2CCC(=O)[O-])CC1 ZINC000091872741 136177157 /nfs/dbraw/zinc/17/71/57/136177157.db2.gz CEEVFDJFCBQLJY-ZBFHGGJFSA-N -1 0 376.457 1.087 50 0 GDAARM O=C([O-])CC[C@]1(CCC(=O)N2CCN(c3ccccc3F)CC2)CCC(=O)N1 ZINC000222885290 136205136 /nfs/dbraw/zinc/20/51/36/136205136.db2.gz LDXUMLJTVRVGSH-HXUWFJFHSA-N -1 0 391.443 1.768 50 0 GDAARM O=C([O-])Cn1nccc1[C@H]1CCCN(C(=O)c2ccccc2-c2nc[nH]n2)C1 ZINC000426491592 534511432 /nfs/dbraw/zinc/51/14/32/534511432.db2.gz WFVIDGYYVGXXAS-ZDUSSCGKSA-N -1 0 380.408 1.773 50 0 GDAARM O=C(NCc1nnn[n-]1)c1cccc(-c2cc(C(=O)N3CCCC3)ccn2)c1 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CC1(C)Cc2nc(N3CCC(O)CC3)ncc2[C@H](NC(=O)c2cc(=O)[nH][n-]2)C1 ZINC000091445009 136176545 /nfs/dbraw/zinc/17/65/45/136176545.db2.gz JFQBSQFKLCKWQF-CQSZACIVSA-N -1 0 386.456 1.310 50 0 GDAARM CC(C)[C@H](NC(=O)N1CC(=O)Nc2ccccc21)C(=O)N1CCC[C@@H]1C(=O)[O-] ZINC000008995614 136195858 /nfs/dbraw/zinc/19/58/58/136195858.db2.gz KXLLMZMKIMFEFF-ZBFHGGJFSA-N -1 0 388.424 1.904 50 0 biogenic GDAARM COc1ccc(S(=O)(=O)[N-]c2ccccc2N2CCC(C(N)=O)CC2)cn1 ZINC000170617496 136199033 /nfs/dbraw/zinc/19/90/33/136199033.db2.gz SEQCHQBWFPTBPN-UHFFFAOYSA-N -1 0 390.465 1.593 50 0 GDAARM CNc1nnc(SCC(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)[O-])s1 ZINC000013403336 517980058 /nfs/dbraw/zinc/98/00/58/517980058.db2.gz MXQKVTOWCQGALY-GFCCVEGCSA-N -1 0 391.478 1.965 50 0 GDAARM CCOC(=O)c1c(C)nn(-c2ccc(NC(=O)CSCC(=O)[O-])cn2)c1C ZINC000002581761 570291206 /nfs/dbraw/zinc/29/12/06/570291206.db2.gz FBLMTBDYHZONRG-UHFFFAOYSA-N -1 0 392.437 1.817 50 0 GDAARM O=C([O-])c1cc(NC(=O)CN2C(=O)c3ccccc3S2(=O)=O)ccc1Cl ZINC000004999539 570422964 /nfs/dbraw/zinc/42/29/64/570422964.db2.gz MDXTVRSNGDTUGV-UHFFFAOYSA-N -1 0 394.792 1.821 50 0 GDAARM C[C@]1(c2ccc(C(=O)N3[C@H](C(=O)[O-])C[C@@H]4CCCC[C@@H]43)cc2)NC(=O)NC1=O ZINC000268894427 570450855 /nfs/dbraw/zinc/45/08/55/570450855.db2.gz BIKNRUXEIUPPGN-LTKYSVDLSA-N -1 0 385.420 1.599 50 0 GDAARM CC[C@H](C(=O)N1CCO[C@@H](CC(=O)[O-])C1)n1nnc(-c2ccc(Cl)cc2)n1 ZINC000262715979 570460937 /nfs/dbraw/zinc/46/09/37/570460937.db2.gz GSEIYICXWZYURM-UONOGXRCSA-N -1 0 393.831 1.647 50 0 GDAARM C[C@@H]1Oc2ccccc2N(CCC(=O)NCc2nc(C(=O)[O-])cs2)C1=O ZINC000268912404 570464160 /nfs/dbraw/zinc/46/41/60/570464160.db2.gz YTELGSVMTOVOHT-JTQLQIEISA-N -1 0 375.406 1.662 50 0 GDAARM CCn1c(=O)[nH]c2cc(C(=O)N3[C@@H]4CCCC[C@H]4C[C@H]3C(=O)[O-])ccc2c1=O ZINC000268934456 570477266 /nfs/dbraw/zinc/47/72/66/570477266.db2.gz GIDQTEOVMCIJPV-XZJROXQQSA-N -1 0 385.420 1.980 50 0 GDAARM O=C([O-])[C@@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)COc1ccccc1 ZINC000004915955 570540691 /nfs/dbraw/zinc/54/06/91/570540691.db2.gz BXDDGWQKLHLHKB-MOPGFXCFSA-N -1 0 396.443 1.869 50 0 GDAARM COC(=O)c1ccc2c(c1)[nH]c(=O)c(S(=O)(=O)c1ccc(OC)cc1)c2[O-] ZINC000006733018 570557393 /nfs/dbraw/zinc/55/73/93/570557393.db2.gz GWGVMRDBLXEWBV-UHFFFAOYSA-N -1 0 389.385 1.862 50 0 GDAARM CCOC(=O)[C@@H]1CCCN(c2ccc(NS(=O)(=O)CC)c(C(=O)[O-])c2)C1 ZINC000033007197 570620031 /nfs/dbraw/zinc/62/00/31/570620031.db2.gz SQRHHIMSTMQHPJ-GFCCVEGCSA-N -1 0 384.454 1.926 50 0 GDAARM Cc1nn(-c2ccc3nncn3n2)c2c1[C@H](c1ccc(C(=O)[O-])cc1)CC(=O)N2 ZINC000033011492 570623403 /nfs/dbraw/zinc/62/34/03/570623403.db2.gz AUFJGBHAOBGCFU-ZDUSSCGKSA-N -1 0 389.375 1.791 50 0 GDAARM COc1ccc(NS(=O)(=O)c2cc3[nH]c(=O)c(=O)[nH]c3cc2C)cc1Cl ZINC000006938678 570712912 /nfs/dbraw/zinc/71/29/12/570712912.db2.gz FZJVJNDXDYSIMC-UHFFFAOYSA-N -1 0 395.824 1.988 50 0 GDAARM COc1ccc(S(=O)(=O)[N-]c2cnc(N(C)C)nc2N(C)C)c(OC)c1 ZINC000206731964 570739534 /nfs/dbraw/zinc/73/95/34/570739534.db2.gz VKERDJZZTZRLFB-UHFFFAOYSA-N -1 0 381.458 1.427 50 0 GDAARM Cc1ccc(C)c(Cn2cc(C(=O)[O-])c(S(=O)(=O)N3CCOCC3)n2)c1 ZINC000065240427 570744669 /nfs/dbraw/zinc/74/46/69/570744669.db2.gz MYCDDIXPULSRQJ-UHFFFAOYSA-N -1 0 379.438 1.267 50 0 GDAARM C[C@@H](Cn1cccn1)C(=O)N1CCc2c(c(C(=O)[O-])nn2Cc2ccncc2)C1 ZINC000067724691 570788590 /nfs/dbraw/zinc/78/85/90/570788590.db2.gz JRHUZVHAIBGNOM-AWEZNQCLSA-N -1 0 394.435 1.442 50 0 GDAARM COc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4ccccc4C)c=3c2=O)cc1 ZINC000004483270 570804765 /nfs/dbraw/zinc/80/47/65/570804765.db2.gz ZBWNFHHTSURDNA-MSOLQXFVSA-N -1 0 393.403 1.936 50 0 GDAARM CCC(=O)Nc1ccc(N2CCN(CC(=O)NC(C)C)CC2)c(C(=O)[O-])c1 ZINC000033078765 570805311 /nfs/dbraw/zinc/80/53/11/570805311.db2.gz NQRFBGSSQZLTFO-UHFFFAOYSA-N -1 0 376.457 1.380 50 0 GDAARM CN(C)C(=O)CN(C(=O)c1ccc2c(c1)[n-]c(=S)n(C)c2=O)c1ccccc1 ZINC000101400648 570820978 /nfs/dbraw/zinc/82/09/78/570820978.db2.gz ZGNRDDBEBPZWOG-UHFFFAOYSA-N -1 0 396.472 1.957 50 0 GDAARM COC(=O)c1cccc(OC)c1[N-]S(=O)(=O)c1cccc(-n2cnnn2)c1 ZINC000170602167 570861682 /nfs/dbraw/zinc/86/16/82/570861682.db2.gz OMKPQHLVAOHZKC-UHFFFAOYSA-N -1 0 389.393 1.258 50 0 GDAARM Cc1nn(C)c(C)c1S(=O)(=O)N1CC[C@@H](Cc2cccc(C(=O)[O-])c2)C1 ZINC000072126692 570867668 /nfs/dbraw/zinc/86/76/68/570867668.db2.gz BYHPQQJHERUROC-HNNXBMFYSA-N -1 0 377.466 1.988 50 0 GDAARM O=C([O-])c1cccc(CC2CCN(C(=O)C[C@H]3CCS(=O)(=O)C3)CC2)c1 ZINC000072162267 570875916 /nfs/dbraw/zinc/87/59/16/570875916.db2.gz QSOSIICRLMTBOB-MRXNPFEDSA-N -1 0 379.478 1.991 50 0 GDAARM C[C@@H]1CN(S(=O)(=O)c2cccc(C(=O)N3CCC[C@@H]3C(=O)[O-])c2)C[C@@H](C)O1 ZINC000009883896 570886500 /nfs/dbraw/zinc/88/65/00/570886500.db2.gz BREQDUNDGVGGIL-XJKCOSOUSA-N -1 0 396.465 1.174 50 0 GDAARM COC(=O)c1ccc2c(c1)[C@@H]1c3sc(=O)[nH]c3S[C@H](C(=O)[O-])[C@@H]1C(=O)O2 ZINC000004291880 571047323 /nfs/dbraw/zinc/04/73/23/571047323.db2.gz OZSFXFHRKLQVDC-NGZCFLSTSA-N -1 0 393.398 1.449 50 0 GDAARM O=C([O-])[C@H]1CN(C(=O)/C(=C\c2ccco2)n2nnnc2-c2ccccc2)CCO1 ZINC000584908064 599942262 /nfs/dbraw/zinc/94/22/62/599942262.db2.gz VMCRBQMAZYRWPC-RBFDBLARSA-N -1 0 395.375 1.243 50 0 GDAARM CCN(Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1)C(=O)[C@@H]1C[C@H]1C(=O)[O-] ZINC000299748158 600105466 /nfs/dbraw/zinc/10/54/66/600105466.db2.gz GGYUMQSDMFGZST-NXEZZACHSA-N -1 0 375.381 1.422 50 0 GDAARM CC(C)c1nn(C)c2sc(C(=O)N3CCS(=O)(=O)C[C@H]3C(=O)[O-])cc12 ZINC000643432073 653582527 /nfs/dbraw/zinc/58/25/27/653582527.db2.gz GGISQLZODYMUOB-JTQLQIEISA-N -1 0 385.467 1.082 50 0 GDAARM O=C([O-])[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)CN1C(=O)NC2(CCCCC2)C1=O ZINC000299751799 950529707 /nfs/dbraw/zinc/52/97/07/950529707.db2.gz RWBRNFNZQMJHHA-MCIONIFRSA-N -1 0 377.441 1.485 50 0 GDAARM C[C@@H](C(=O)[O-])C(=O)Nc1ccc(CC(=O)N2CCN(c3ncccn3)CC2)cc1 ZINC000647117448 953951984 /nfs/dbraw/zinc/95/19/84/953951984.db2.gz JZXXSSSSZXXWKH-CQSZACIVSA-N -1 0 397.435 1.027 50 0 GDAARM CN1CC[C@H](C(=O)N[C@@H](CC(=O)[O-])c2ccc(Br)cc2)CC1=O ZINC000137787485 529802924 /nfs/dbraw/zinc/80/29/24/529802924.db2.gz WTAVROGYFAGEEE-AAEUAGOBSA-N -1 0 383.242 1.950 50 0 GDAARM CN1C(=O)/C(=C/c2cc(Br)ccc2OCC(=O)[O-])N(C)C1=S ZINC000006420177 530541451 /nfs/dbraw/zinc/54/14/51/530541451.db2.gz UEVXFCMPWGYNFA-POHAHGRESA-N -1 0 385.239 1.942 50 0 GDAARM C[C@@H](C(=O)[O-])N1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1 ZINC000051658934 530680707 /nfs/dbraw/zinc/68/07/07/530680707.db2.gz BHOYQKSTIYJQQB-JTQLQIEISA-N -1 0 377.260 1.229 50 0 GDAARM CS(=O)(=O)N1CCC(CNC(=O)C[C@@H](CC(=O)[O-])c2cccs2)CC1 ZINC000090607338 530809411 /nfs/dbraw/zinc/80/94/11/530809411.db2.gz PDFHMGGTIUTGKW-ZDUSSCGKSA-N -1 0 388.511 1.484 50 0 GDAARM O=C([O-])[C@H]1CCCCN1C(=O)CN1C(=O)COc2cc(Br)ccc21 ZINC000262400889 531119023 /nfs/dbraw/zinc/11/90/23/531119023.db2.gz UVFOFNNTACCUOD-GFCCVEGCSA-N -1 0 397.225 1.640 50 0 GDAARM O=C([O-])[C@@H]1COCCN1C(=O)[C@@H]1CCN(c2ccccc2Br)C1=O ZINC000268987736 531596940 /nfs/dbraw/zinc/59/69/40/531596940.db2.gz QLAYBCPLGYDRIP-MFKMUULPSA-N -1 0 397.225 1.114 50 0 GDAARM O=C([O-])[C@H]1CCN(C(=O)CS(=O)(=O)Cc2cccc(Br)c2)C1 ZINC000269178818 531620777 /nfs/dbraw/zinc/62/07/77/531620777.db2.gz KSJDVNFPXAEGAJ-NSHDSACASA-N -1 0 390.255 1.297 50 0 GDAARM COCCN(C)S(=O)(=O)c1ccccc1S(=O)(=O)[N-]c1cccnc1 ZINC000297884209 531831546 /nfs/dbraw/zinc/83/15/46/531831546.db2.gz NODOSGCGMVJXDM-UHFFFAOYSA-N -1 0 385.467 1.149 50 0 GDAARM CCS(=O)(=O)c1ccc(F)c(C(=O)N(CCC(=O)[O-])C[C@@H]2CCCO2)c1 ZINC000328594833 206229995 /nfs/dbraw/zinc/22/99/95/206229995.db2.gz CQIAUDBRGOCHBV-LBPRGKRZSA-N -1 0 387.429 1.715 50 0 GDAARM Cc1ccc(S(=O)(=O)N(CCC(N)=O)Cc2ccccc2)cc1C(=O)[O-] ZINC000013269302 206247066 /nfs/dbraw/zinc/24/70/66/206247066.db2.gz AHOQCSWCARSEBB-UHFFFAOYSA-N -1 0 376.434 1.760 50 0 GDAARM COCCOc1cc(C(=O)Nc2ccc(S(=O)(=O)[N-]C(C)=O)cc2)ccn1 ZINC000253472075 206282750 /nfs/dbraw/zinc/28/27/50/206282750.db2.gz IOTHPSILLPLZGR-UHFFFAOYSA-N -1 0 393.421 1.184 50 0 GDAARM Cc1c2cc(Cl)c([O-])cc2oc(=O)c1CC(=O)N1CCC(C(N)=O)CC1 ZINC000002158504 206292008 /nfs/dbraw/zinc/29/20/08/206292008.db2.gz XFYZFVDDYPBOSS-UHFFFAOYSA-N -1 0 378.812 1.727 50 0 biogenic GDAARM Nc1ccc(S(=O)(=O)[N-]c2nc3ccccc3nc2N2CCOCC2)cc1 ZINC000000629747 206309062 /nfs/dbraw/zinc/30/90/62/206309062.db2.gz MDILXKMIYIZZBW-UHFFFAOYSA-N -1 0 385.449 1.849 50 0 GDAARM CC(C)C[C@@H](C(=O)N[C@@H](C(=O)[O-])C(C)C)n1c(=O)[nH]c2ccccc2c1=O ZINC000009044986 206306422 /nfs/dbraw/zinc/30/64/22/206306422.db2.gz KEKPFPCVMVLOLS-LSDHHAIUSA-N -1 0 375.425 1.915 50 0 biogenic GDAARM COc1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]C(C)=O)cc2)cc1OC ZINC000000994007 206340241 /nfs/dbraw/zinc/34/02/41/206340241.db2.gz BEJIIWJNKFCLRP-UHFFFAOYSA-N -1 0 378.406 1.781 50 0 GDAARM Cc1ccc(S(=O)(=O)[N-]NC(=S)Nc2ccc3c(c2)OCCO3)cc1 ZINC000001041810 206344504 /nfs/dbraw/zinc/34/45/04/206344504.db2.gz TXHGJGQDEOKINT-UHFFFAOYSA-N -1 0 379.463 1.946 50 0 GDAARM CCONC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000012536140 206908907 /nfs/dbraw/zinc/90/89/07/206908907.db2.gz MZYZRCDJYRSVNX-UHFFFAOYSA-N -1 0 376.394 1.338 50 0 GDAARM O=C([O-])c1sccc1S(=O)(=O)N1CCC(C(=O)N2CCCCC2)CC1 ZINC000013011946 206964661 /nfs/dbraw/zinc/96/46/61/206964661.db2.gz BPLIQYJQASUSGM-UHFFFAOYSA-N -1 0 386.495 1.860 50 0 GDAARM COc1ccccc1-n1c(=O)c2[n-][nH]n(CC(=O)Nc3ccccc3)c=2c1=O ZINC000018162303 207094083 /nfs/dbraw/zinc/09/40/83/207094083.db2.gz ZPDHTCZBSHZCJG-IRXDYDNUSA-N -1 0 379.376 1.627 50 0 GDAARM COc1ccc2nc(S(=O)(=O)Cc3c(C)c(OC)c(C)c[n+]3[O-])[n-]c2c1 ZINC000022065482 207247237 /nfs/dbraw/zinc/24/72/37/207247237.db2.gz ZBGMHRIYIGAEGJ-UHFFFAOYSA-N -1 0 377.422 1.804 50 0 in-vitro GDAARM O=C([O-])c1cc(S(=O)(=O)N2CCOCC2)ccc1I ZINC000021955114 207243427 /nfs/dbraw/zinc/24/34/27/207243427.db2.gz GVMXSHXUDXYPLX-UHFFFAOYSA-N -1 0 397.190 1.010 50 0 GDAARM CC1CCC2(CC1)NC(=O)N([N-]C(=O)c1cn(Cc3ccccc3)nn1)C2=O ZINC000026252288 207312301 /nfs/dbraw/zinc/31/23/01/207312301.db2.gz PYNANDCWKKUTPF-UHFFFAOYSA-N -1 0 382.424 1.472 50 0 GDAARM NC(=O)c1cc([N-]S(=O)(=O)c2c[nH]c(C(=O)N3CCCC3)c2)ccc1Cl ZINC000026542182 207316334 /nfs/dbraw/zinc/31/63/34/207316334.db2.gz STDJRWRKRCHTDO-UHFFFAOYSA-N -1 0 396.856 1.804 50 0 GDAARM O=C([O-])c1ccc(C[C@H]2CCCN(C(=O)C3CCS(=O)(=O)CC3)C2)cc1 ZINC000072164515 207985916 /nfs/dbraw/zinc/98/59/16/207985916.db2.gz GYMDRKYGIOGDDK-OAHLLOKOSA-N -1 0 379.478 1.991 50 0 GDAARM O=C([O-])C[C@@H]1COCCN1C(=O)CNC(=O)c1cc(Cl)ccc1Cl ZINC000072426982 208023278 /nfs/dbraw/zinc/02/32/78/208023278.db2.gz GUWWRGADZDJNCU-SNVBAGLBSA-N -1 0 375.208 1.425 50 0 GDAARM COc1cc(F)c(CN2CCC3(CC2)[C@H](C(=O)[O-])CC(=O)N3C)cc1OC ZINC000095353348 208159144 /nfs/dbraw/zinc/15/91/44/208159144.db2.gz RZILUODMVHSRPM-ZDUSSCGKSA-N -1 0 380.416 1.740 50 0 GDAARM Cc1nc(CCNC(=O)[C@H]2CC(=O)N(Cc3ccccn3)C2)sc1C(=O)[O-] ZINC000095520762 208220107 /nfs/dbraw/zinc/22/01/07/208220107.db2.gz QNYQFJBNPNCMGS-LBPRGKRZSA-N -1 0 388.449 1.252 50 0 GDAARM CN(C)C(=O)N1C[C@@H]2CN(C(=O)Cc3cccc(F)c3F)C[C@]2(C(=O)[O-])C1 ZINC000096138114 208268797 /nfs/dbraw/zinc/26/87/97/208268797.db2.gz IETLMVMTYSGXEN-SGTLLEGYSA-N -1 0 381.379 1.034 50 0 GDAARM CCOCCNS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2ccncc2)c1 ZINC000097165290 208340620 /nfs/dbraw/zinc/34/06/20/208340620.db2.gz BLGSRFYDBMBCDK-UHFFFAOYSA-N -1 0 385.467 1.197 50 0 GDAARM COc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4ccc(C)cc4)c=3c2=O)cc1 ZINC000100036903 208371359 /nfs/dbraw/zinc/37/13/59/208371359.db2.gz WKKFXMDIYWWELF-QZTJIDSGSA-N -1 0 393.403 1.936 50 0 GDAARM CN(Cc1ccc2c(c1)OCO2)C(=O)CC[C@@]1(CCC(=O)[O-])CCC(=O)N1 ZINC000223505126 208904218 /nfs/dbraw/zinc/90/42/18/208904218.db2.gz LURHZLOFOWKNSZ-LJQANCHMSA-N -1 0 376.409 1.668 50 0 GDAARM COC(=O)C[C@@H](c1ccc(OC)c(O)c1)c1c(O)cc(C)n(CC(=O)[O-])c1=O ZINC000096221427 209012552 /nfs/dbraw/zinc/01/25/52/209012552.db2.gz RPJZLCYEOHIPBM-LBPRGKRZSA-N -1 0 391.376 1.356 50 0 biogenic GDAARM O=C([O-])[C@@H]1CCCN1CC(=O)Nc1cc(C(F)(F)F)ccc1-n1cncn1 ZINC000252571319 209036985 /nfs/dbraw/zinc/03/69/85/209036985.db2.gz XTKLPLPDMDEDME-ZDUSSCGKSA-N -1 0 383.330 1.774 50 0 GDAARM CC(C)NC(=O)CN1CCN(c2ccc(NC(=O)C(C)C)c(C(=O)[O-])c2)CC1 ZINC000064589707 136157050 /nfs/dbraw/zinc/15/70/50/136157050.db2.gz GPIWOSPVZAFFLP-UHFFFAOYSA-N -1 0 390.484 1.626 50 0 GDAARM Cc1c(C(=O)[O-])sc2ncnc(N3CCC4(C[NH2+][C@@H](C(=O)[O-])C4)CC3)c12 ZINC000072410364 136169700 /nfs/dbraw/zinc/16/97/00/136169700.db2.gz HPFUJGQTOBLTFD-SNVBAGLBSA-N -1 0 376.438 1.731 50 0 GDAARM Cc1ccc(S(=O)(=O)[N-]c2ccc(N3CCOCC3)cc2C(N)=O)c(F)c1 ZINC000089616805 136175662 /nfs/dbraw/zinc/17/56/62/136175662.db2.gz IRLSJAPGMZDXKH-UHFFFAOYSA-N -1 0 393.440 1.870 50 0 GDAARM Cc1cccc(C[C@@H](CNC(=O)[C@@H]2CC(=O)N(CC(F)(F)F)C2)C(=O)[O-])c1 ZINC000237655581 524464770 /nfs/dbraw/zinc/46/47/70/524464770.db2.gz XAPHKFBFDWCOFQ-UONOGXRCSA-N -1 0 386.370 1.765 50 0 GDAARM CCC(=O)NCc1cc2n(n1)CCN(C(=O)c1cc(=O)c3cccc(F)c3[n-]1)C2 ZINC000426691365 528394060 /nfs/dbraw/zinc/39/40/60/528394060.db2.gz XKMXAJBABYHGMG-UHFFFAOYSA-N -1 0 397.410 1.958 50 0 GDAARM CN(CC(=O)N1CCC(C(=O)[O-])CC1)C(=O)[C@H]1C[C@@H]1c1cccc(F)c1F ZINC000237308956 570231809 /nfs/dbraw/zinc/23/18/09/570231809.db2.gz UCGJFNFDNBMQEQ-KGLIPLIRSA-N -1 0 380.391 1.850 50 0 GDAARM CC(C)N1C[C@H](C(=O)N[C@H](Cc2c[nH]c3cc(F)ccc23)C(=O)[O-])CC1=O ZINC000236619976 570246936 /nfs/dbraw/zinc/24/69/36/570246936.db2.gz PQCTXVCKZUEFBO-MLGOLLRUSA-N -1 0 375.400 1.676 50 0 GDAARM O=C([O-])c1ccc(S(=O)(=O)NCCc2cc3ccc(F)cc3[nH]c2=O)cc1 ZINC000049597386 570270818 /nfs/dbraw/zinc/27/08/18/570270818.db2.gz GQEKCHQETIKKIP-UHFFFAOYSA-N -1 0 390.392 1.886 50 0 GDAARM COC(=O)c1[n-]n(C(C)(C)CC(C)=O)c2c(O)n(-c3ccc(C)cc3)c(=O)c1-2 ZINC000004837041 570311422 /nfs/dbraw/zinc/31/14/22/570311422.db2.gz ATQABOCWNMYGQE-ZBFHGGJFSA-N -1 0 385.420 1.455 50 0 GDAARM COc1nc(CNS(=O)(=O)c2cc(Cl)ccc2Cl)nc(N(C)C)n1 ZINC000575605618 570329250 /nfs/dbraw/zinc/32/92/50/570329250.db2.gz CHMHRQNLWJKSGW-UHFFFAOYSA-N -1 0 392.268 1.732 50 0 GDAARM CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(O[C@@H](C)C(=O)[O-])c(OC)c1 ZINC000004196355 570362630 /nfs/dbraw/zinc/36/26/30/570362630.db2.gz JUQKGIKRKGDJLN-ZUZCIYMTSA-N -1 0 378.381 1.738 50 0 GDAARM CCCCn1c(N)c(N(CC)Cc2nc(=O)c3sccc3[n-]2)c(=O)[nH]c1=O ZINC000013002589 570414276 /nfs/dbraw/zinc/41/42/76/570414276.db2.gz GQRNJADHJXONDQ-UHFFFAOYSA-N -1 0 390.469 1.243 50 0 GDAARM Cc1cccc(C[C@@H](CNC(=O)[C@@H]2CC(=O)N(Cc3ccco3)C2)C(=O)[O-])c1 ZINC000237672776 570427207 /nfs/dbraw/zinc/42/72/07/570427207.db2.gz MEJXTFVTYVGEFM-DLBZAZTESA-N -1 0 384.432 1.996 50 0 GDAARM O=C([O-])c1cccc(-c2nc3c([nH]2)CCN(C(=O)C(=O)N2CCCCC2)C3)c1 ZINC000223088244 570442419 /nfs/dbraw/zinc/44/24/19/570442419.db2.gz BMOAVLZFFKFVIU-UHFFFAOYSA-N -1 0 382.420 1.672 50 0 GDAARM C[C@]1(c2ccc(C(=O)N3[C@@H]4CCCC[C@@H]4C[C@H]3C(=O)[O-])cc2)NC(=O)NC1=O ZINC000268894433 570450830 /nfs/dbraw/zinc/45/08/30/570450830.db2.gz BIKNRUXEIUPPGN-ZCQATVAHSA-N -1 0 385.420 1.599 50 0 GDAARM CCOc1cc(C(=O)N2CCN(c3ncccn3)CC2)ccc1OCC(=O)[O-] ZINC000268912491 570464150 /nfs/dbraw/zinc/46/41/50/570464150.db2.gz OEDBUFXHDIPSRD-UHFFFAOYSA-N -1 0 386.408 1.301 50 0 GDAARM CS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2NCCC(N)=O)cc1 ZINC000072301110 570504724 /nfs/dbraw/zinc/50/47/24/570504724.db2.gz CNHZPYIJPBZKRV-UHFFFAOYSA-N -1 0 397.478 1.178 50 0 GDAARM COc1ccc(-c2ccc(=O)n(CC(=O)NCC3CCC(C(=O)[O-])CC3)n2)cc1 ZINC000049544152 570664290 /nfs/dbraw/zinc/66/42/90/570664290.db2.gz MGWNCCJRERCJQI-UHFFFAOYSA-N -1 0 399.447 1.926 50 0 GDAARM COCCS(=O)(=O)c1ccc(C(=O)N2[C@H](C(=O)[O-])C[C@H]3CCCC[C@@H]32)cc1 ZINC000262373604 570667842 /nfs/dbraw/zinc/66/78/42/570667842.db2.gz KINMHSFDRSRZAJ-PVAVHDDUSA-N -1 0 395.477 1.965 50 0 GDAARM CCOc1ccc(-c2noc(CCC(=O)N3CCO[C@H](CC(=O)[O-])C3)n2)cc1 ZINC000262404743 570670401 /nfs/dbraw/zinc/67/04/01/570670401.db2.gz BBDNJYYLBFIPRV-OAHLLOKOSA-N -1 0 389.408 1.770 50 0 GDAARM COc1ccc(OC)c([N-]S(=O)(=O)c2ccc(-c3ccc(=O)[nH]n3)o2)c1 ZINC000006887545 570682225 /nfs/dbraw/zinc/68/22/25/570682225.db2.gz UGDNTWUUKKTQDN-UHFFFAOYSA-N -1 0 377.378 1.848 50 0 GDAARM O=C([C@@H]1CCN(c2ccc(F)c(F)c2)C1=O)N1CCC[C@@H](c2nnn[n-]2)C1 ZINC000155486212 570687527 /nfs/dbraw/zinc/68/75/27/570687527.db2.gz FEHRCGRTGNCHAL-PWSUYJOCSA-N -1 0 376.367 1.237 50 0 GDAARM CS(=O)(=O)[N-]c1ccccc1C(=O)NCCc1ccc2c(c1)OCCO2 ZINC000012630343 570692779 /nfs/dbraw/zinc/69/27/79/570692779.db2.gz QGHJUVPPIFVSRM-UHFFFAOYSA-N -1 0 376.434 1.802 50 0 GDAARM CN1C(=O)C[C@H](C(=O)Nc2ccn(CC(=O)[O-])n2)[C@@H]1c1cccc(Cl)c1 ZINC000263012342 570702002 /nfs/dbraw/zinc/70/20/02/570702002.db2.gz RJDJDTIYGMLXJD-LRDDRELGSA-N -1 0 376.800 1.779 50 0 GDAARM CC(C)NS(=O)(=O)c1ccc(NS(=O)(=O)c2cccc(C(=O)[O-])c2)cc1 ZINC000013042258 570743571 /nfs/dbraw/zinc/74/35/71/570743571.db2.gz XLKBBYNDOBUYHR-UHFFFAOYSA-N -1 0 398.462 1.872 50 0 GDAARM O=C1NCCCc2nc([N-]S(=O)(=O)c3ccc4c(c3)OCCO4)sc21 ZINC000206890437 570755193 /nfs/dbraw/zinc/75/51/93/570755193.db2.gz SAZHYMHGAHLCOD-UHFFFAOYSA-N -1 0 381.435 1.391 50 0 GDAARM CCOc1ccc(S(=O)(=O)Nc2cccc(C(=O)O[C@H](C)C(N)=O)c2)cc1 ZINC000007050536 570764784 /nfs/dbraw/zinc/76/47/84/570764784.db2.gz TUYATSGVKABUSI-GFCCVEGCSA-N -1 0 392.433 1.917 50 0 GDAARM COc1cccc([C@@H](c2sc3ncnn3c2[O-])N2CCN(CCO)CC2)c1 ZINC000022031314 570778564 /nfs/dbraw/zinc/77/85/64/570778564.db2.gz WPDPLVQMJLXTDX-HNNXBMFYSA-N -1 0 389.481 1.204 50 0 GDAARM C[C@@H](C(=O)N1CCCn2nc(C(=O)[O-])cc2C1)c1n[nH]c(=O)c2ccccc21 ZINC000067643683 570784790 /nfs/dbraw/zinc/78/47/90/570784790.db2.gz FKOOGHYKQPMBFF-LLVKDONJSA-N -1 0 381.392 1.354 50 0 GDAARM C[C@H](C(=O)N1CCCn2nc(C(=O)[O-])cc2C1)c1n[nH]c(=O)c2ccccc21 ZINC000067643682 570784907 /nfs/dbraw/zinc/78/49/07/570784907.db2.gz FKOOGHYKQPMBFF-NSHDSACASA-N -1 0 381.392 1.354 50 0 GDAARM CN(C)c1nc2c(c(N3CCC[C@H](Cn4cc(C(=O)[O-])nn4)C3)n1)CCCC2 ZINC000067805275 570791736 /nfs/dbraw/zinc/79/17/36/570791736.db2.gz RPYBXNLYQNIUSO-ZDUSSCGKSA-N -1 0 385.472 1.628 50 0 GDAARM CCOc1ccc(-n2c(=O)[nH]c([O-])c([C@@H]3OCc4cnc(C)c(O)c43)c2=O)cc1 ZINC000005873919 570800146 /nfs/dbraw/zinc/80/01/46/570800146.db2.gz XGMVGIUOPZECEJ-QGZVFWFLSA-N -1 0 397.387 1.659 50 0 biogenic GDAARM COc1ccc2c(c1OC)C(=O)O[C@@H]2c1c([O-])[nH]c(=O)n(-c2ccccc2)c1=O ZINC000005880405 570800680 /nfs/dbraw/zinc/80/06/80/570800680.db2.gz GHNYWOQKGLYBDI-HNNXBMFYSA-N -1 0 396.355 1.508 50 0 biogenic GDAARM O=C([O-])[C@H]1CN(C(=O)c2cccc(-n3cc(Br)cn3)c2)CCO1 ZINC000583650535 570804019 /nfs/dbraw/zinc/80/40/19/570804019.db2.gz DUOJJHJDKHGWHJ-CYBMUJFWSA-N -1 0 380.198 1.560 50 0 GDAARM COc1ccc([C@@H]2Cn3nnc(C(=O)N4CCC(C(=O)[O-])CC4)c3CO2)cc1 ZINC000583648356 570804575 /nfs/dbraw/zinc/80/45/75/570804575.db2.gz ZUKWAUUNAFLJKK-INIZCTEOSA-N -1 0 386.408 1.495 50 0 GDAARM COc1ccc(N2C[C@@H](C(=O)N3CCCC[C@H]3C(=O)[O-])CC2=O)cc1OC ZINC000299751487 570828685 /nfs/dbraw/zinc/82/86/85/570828685.db2.gz QQQVFWZYSCAOLM-JSGCOSHPSA-N -1 0 376.409 1.522 50 0 GDAARM C[C@H]1Oc2ccccc2N(CCC(=O)NCc2cccc(OCC(=O)[O-])c2)C1=O ZINC000299753231 570830197 /nfs/dbraw/zinc/83/01/97/570830197.db2.gz XJCAACSPTREDOG-CQSZACIVSA-N -1 0 398.415 1.970 50 0 GDAARM C[C@@H]1CN(S(=O)(=O)c2cccc(C(=O)N3CCC[C@@H]3C(=O)[O-])c2)C[C@H](C)O1 ZINC000009883893 570886543 /nfs/dbraw/zinc/88/65/43/570886543.db2.gz BREQDUNDGVGGIL-DVOMOZLQSA-N -1 0 396.465 1.174 50 0 GDAARM CC(C)(CNC(=O)[C@@H]1CCCN1C(=O)OCc1ccccc1)[C@@H](O)C(=O)[O-] ZINC000002139975 570963077 /nfs/dbraw/zinc/96/30/77/570963077.db2.gz QESQQIFTARZLCW-GJZGRUSLSA-N -1 0 378.425 1.376 50 0 biogenic GDAARM Cc1ccc(Br)cc1C(=O)N1CCS(=O)(=O)C[C@@H]1C(=O)[O-] ZINC000643432099 653582541 /nfs/dbraw/zinc/58/25/41/653582541.db2.gz GXHZYJOXGWOGMB-LLVKDONJSA-N -1 0 376.228 1.081 50 0 GDAARM COc1ccc(CCC(=O)N2CCCN(C(=O)C3(C(=O)[O-])CCC3)CC2)cc1 ZINC000563202015 953596261 /nfs/dbraw/zinc/59/62/61/953596261.db2.gz RWWCVPXKKCNMGR-UHFFFAOYSA-N -1 0 388.464 1.944 50 0 GDAARM O=C([O-])[C@@H]1Cc2ccccc2CN1C(=O)Cn1nc(-c2ccccc2)ccc1=O ZINC000299753356 962938762 /nfs/dbraw/zinc/93/87/62/962938762.db2.gz XYFIYVZBLCZGIP-IBGZPJMESA-N -1 0 389.411 1.948 50 0 GDAARM O=C([O-])[C@@]12CCC(=O)N1c1ccc(F)cc1-c1nc(=O)c(-c3ccccc3)nn12 ZINC000408525772 231050260 /nfs/dbraw/zinc/05/02/60/231050260.db2.gz DIUBNGMLLCMQDJ-FQEVSTJZSA-N -1 0 392.346 1.989 50 0 GDAARM NS(=O)(=O)c1ccc(CC[N-]S(=O)(=O)c2c(F)cccc2F)cc1 ZINC000007375479 530545610 /nfs/dbraw/zinc/54/56/10/530545610.db2.gz XFNAVALTMORLRI-UHFFFAOYSA-N -1 0 376.406 1.133 50 0 GDAARM Cc1nc([N-]S(C)(=O)=O)sc1C(=O)N1CCN(c2ccccc2)CC1 ZINC000012321189 530556063 /nfs/dbraw/zinc/55/60/63/530556063.db2.gz GMODTAALNIVNBU-UHFFFAOYSA-N -1 0 380.495 1.785 50 0 GDAARM CCn1cc(S(=O)(=O)N2CCN(Cc3cccs3)CC2)cc1C(=O)[O-] ZINC000237025277 531041704 /nfs/dbraw/zinc/04/17/04/531041704.db2.gz VDJORZHYGMLCFD-UHFFFAOYSA-N -1 0 383.495 1.774 50 0 GDAARM COc1cc(C(=O)N2CCO[C@@H](CC(=O)[O-])C2)cc(OC)c1Br ZINC000261682020 531095956 /nfs/dbraw/zinc/09/59/56/531095956.db2.gz IGEXJJICGGGQJB-JTQLQIEISA-N -1 0 388.214 1.782 50 0 GDAARM CNC(=O)c1cc(Cl)cc(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)c1OC ZINC000262181161 531111156 /nfs/dbraw/zinc/11/11/56/531111156.db2.gz WQVJGSZUSRFGOA-SECBINFHSA-N -1 0 390.845 1.194 50 0 GDAARM C[C@](NC(=O)[C@H]1CCCS1(=O)=O)(C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000520428286 531228153 /nfs/dbraw/zinc/22/81/53/531228153.db2.gz PTLZFENHBWWGPJ-BXUZGUMPSA-N -1 0 380.249 1.987 50 0 GDAARM C[C@](NC(=O)[C@@H]1CCCS1(=O)=O)(C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000520428289 531228291 /nfs/dbraw/zinc/22/82/91/531228291.db2.gz PTLZFENHBWWGPJ-SMDDNHRTSA-N -1 0 380.249 1.987 50 0 GDAARM C[C@H](NS(=O)(=O)c1cc(C(=O)[O-])cc2c1CCC2)C1(S(C)(=O)=O)CC1 ZINC000560431142 531645356 /nfs/dbraw/zinc/64/53/56/531645356.db2.gz AYAKGAPRONJVPF-JTQLQIEISA-N -1 0 387.479 1.118 50 0 GDAARM O=C([O-])[C@H]1CCN(C(=O)Cc2ccc(S(=O)(=O)CC(F)(F)F)cc2)C1 ZINC000299742157 532024797 /nfs/dbraw/zinc/02/47/97/532024797.db2.gz HZNWRXNDUVPBPW-NSHDSACASA-N -1 0 379.356 1.498 50 0 GDAARM Cn1c(=O)oc2cc(S(=O)(=O)N[C@H](Cc3ccccc3)C(=O)[O-])ccc21 ZINC000041091477 206263861 /nfs/dbraw/zinc/26/38/61/206263861.db2.gz XVXXADFKDZXJGE-CYBMUJFWSA-N -1 0 376.390 1.106 50 0 GDAARM COc1cc(/C=C\C(=O)[O-])cc(S(=O)(=O)N2CCC(OC)CC2)c1OC ZINC000096298709 206300314 /nfs/dbraw/zinc/30/03/14/206300314.db2.gz YVHGNFRRZKKUQU-PLNGDYQASA-N -1 0 385.438 1.601 50 0 GDAARM COc1ccc(OC)c(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)N(C)CCO3)c1 ZINC000009828157 206371964 /nfs/dbraw/zinc/37/19/64/206371964.db2.gz MJJOYBHLZGOWDA-UHFFFAOYSA-N -1 0 392.433 1.969 50 0 GDAARM O=C([O-])[C@H](CO)NC(=O)[C@@H](Cc1ccccc1)NC(=O)OCc1ccccc1 ZINC000001576131 206385655 /nfs/dbraw/zinc/38/56/55/206385655.db2.gz CXVNVEDASVJQHE-SJORKVTESA-N -1 0 386.404 1.086 50 0 GDAARM C[C@H](NC(=O)/C(=C/c1ccc2c(c1)OCO2)NC(=O)c1ccccc1)C(=O)[O-] ZINC000002068841 206397482 /nfs/dbraw/zinc/39/74/82/206397482.db2.gz MIWVVQMVAIPNSG-ZENNRRHLSA-N -1 0 382.372 1.776 50 0 GDAARM Cc1coc2cc3oc(=O)c(CC(=O)NCC(=O)NCC(=O)[O-])c(C)c3cc12 ZINC000002104410 206399509 /nfs/dbraw/zinc/39/95/09/206399509.db2.gz ULAGODQDWAPGDT-UHFFFAOYSA-N -1 0 386.360 1.016 50 0 biogenic GDAARM COc1ccccc1[N-]S(=O)(=O)c1cccc(NC(=O)CCNC(C)=O)c1 ZINC000007777069 206723338 /nfs/dbraw/zinc/72/33/38/206723338.db2.gz 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383.404 1.517 50 0 GDAARM O=C([O-])CCC1CCN(C(=O)[C@H]2CC(=O)N(c3ccc4c(c3)OCO4)C2)CC1 ZINC000095991844 208250559 /nfs/dbraw/zinc/25/05/59/208250559.db2.gz ZHTRWBPIKNMAFH-AWEZNQCLSA-N -1 0 388.420 1.872 50 0 GDAARM CNS(=O)(=O)c1ccc([N-]S(=O)(=O)c2cccc(Cl)c2F)nc1 ZINC000096013497 208252853 /nfs/dbraw/zinc/25/28/53/208252853.db2.gz HMJFFSSCKSJMJE-UHFFFAOYSA-N -1 0 379.822 1.583 50 0 GDAARM COC(=O)c1ccc(OC)c(S(=O)(=O)NCCc2ccc(C(=O)[O-])cc2)c1 ZINC000097165106 208339777 /nfs/dbraw/zinc/33/97/77/208339777.db2.gz HMJOTLLDSVTEFM-UHFFFAOYSA-N -1 0 393.417 1.701 50 0 GDAARM COc1ccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4ccccc4)c(=O)c2=3)cc1 ZINC000098212477 208370080 /nfs/dbraw/zinc/37/00/80/208370080.db2.gz TXWWMMXMZVDCPB-DLBZAZTESA-N -1 0 379.376 1.627 50 0 GDAARM Cc1ccc(S(=O)(=O)N2CCC(C([O-])=C3C(=O)CCCC3=O)CC2)cc1 ZINC000100820040 208381184 /nfs/dbraw/zinc/38/11/84/208381184.db2.gz XQJALNTXBNDVAX-UHFFFAOYSA-N -1 0 377.462 1.903 50 0 GDAARM CC[C@@H](C)[C@H](NC(=O)N1CCn2c3ccccc3nc21)C(=O)N[C@H](C)C(=O)[O-] ZINC000012664463 208774689 /nfs/dbraw/zinc/77/46/89/208774689.db2.gz UYKWAWINNHQVMM-JMSVASOKSA-N -1 0 387.440 1.570 50 0 biogenic GDAARM O=C([O-])c1cc(S(=O)(=O)N[C@H]2CC[C@H](Oc3cnccn3)CC2)ccc1F ZINC000252535730 209037125 /nfs/dbraw/zinc/03/71/25/209037125.db2.gz GSAWRHUKRPEUGW-HAQNSBGRSA-N -1 0 395.412 1.982 50 0 GDAARM COc1ccc(C(=O)N2CCN(C(=O)N[C@@H](CC(=O)[O-])C(C)C)CC2)cc1 ZINC000426488309 533301770 /nfs/dbraw/zinc/30/17/70/533301770.db2.gz SFYGDQMFUIXWSA-INIZCTEOSA-N -1 0 377.441 1.662 50 0 GDAARM Cc1nc(N2CC[C@@]3(O)CCN(C(=O)C4CCCC4)C[C@H]3C2)c(Cl)c(=O)[n-]1 ZINC000095390908 136178838 /nfs/dbraw/zinc/17/88/38/136178838.db2.gz PPNZZWYZCKPKBX-AUUYWEPGSA-N -1 0 394.903 1.712 50 0 GDAARM O=C([O-])CC[C@@]1(CCC(=O)N2CCN(c3ccc(F)cc3)CC2)CCC(=O)N1 ZINC000218868069 136203783 /nfs/dbraw/zinc/20/37/83/136203783.db2.gz PMXDVGHSFXJIBH-FQEVSTJZSA-N -1 0 391.443 1.768 50 0 GDAARM CC(C)(C)c1ccn(C2(C(=O)[O-])CCN(c3cc4nncn4c(N)n3)CC2)n1 ZINC000072454400 535132608 /nfs/dbraw/zinc/13/26/08/535132608.db2.gz BFMMVOBTFMQUBF-UHFFFAOYSA-N -1 0 384.444 1.281 50 0 GDAARM COCCCNC(=O)CCc1nnc(-c2ccc(OCCOC)cc2)[n-]c1=O ZINC000034763874 570333099 /nfs/dbraw/zinc/33/30/99/570333099.db2.gz ZYHCSJCOINSCRX-UHFFFAOYSA-N -1 0 390.440 1.355 50 0 GDAARM COc1ccc(NC(C)=O)cc1S(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000004204651 570363011 /nfs/dbraw/zinc/36/30/11/570363011.db2.gz MAGLCMUSLNWOOX-HNNXBMFYSA-N -1 0 392.433 1.628 50 0 GDAARM CC(C)OCCCNS(=O)(=O)c1ccc2c(c1)CCN2C(=O)CCC(=O)[O-] ZINC000004936445 570373675 /nfs/dbraw/zinc/37/36/75/570373675.db2.gz RHPGOEAUCUNHAY-UHFFFAOYSA-N -1 0 398.481 1.534 50 0 GDAARM Cc1oc(CN(C)C(=O)[C@H]2CCC(=O)N(C)[C@@H]2c2cnn(C)c2)cc1C(=O)[O-] ZINC000268924867 570469355 /nfs/dbraw/zinc/46/93/55/570469355.db2.gz DWBUIKMWGDDMAW-WMLDXEAASA-N -1 0 388.424 1.588 50 0 GDAARM COc1cc(CCC(=O)N2CCOC[C@H]2C(=O)[O-])ccc1OCC(F)(F)F ZINC000268964842 570496406 /nfs/dbraw/zinc/49/64/06/570496406.db2.gz CKZZZPZDWQQRKA-LBPRGKRZSA-N -1 0 391.342 1.881 50 0 GDAARM O=C([O-])[C@@H]1CCN(C(=O)[C@@H]2CC(=O)N(Cc3cccc(C(F)(F)F)c3)C2)C1 ZINC000269170663 570542512 /nfs/dbraw/zinc/54/25/12/570542512.db2.gz HIFBAGNYUKHMMO-CHWSQXEVSA-N -1 0 384.354 1.987 50 0 GDAARM Cn1nccc1C1=NN(C(=O)CCC(=O)[O-])[C@H](c2cnc3ccccc3n2)C1 ZINC000225505415 570580957 /nfs/dbraw/zinc/58/09/57/570580957.db2.gz PSZLYPXCTSFUOO-KRWDZBQOSA-N -1 0 378.392 1.906 50 0 GDAARM CS(=O)(=O)[N-]c1ccccc1C(=O)OCC(=O)NC(=O)NC1CCCCC1 ZINC000005573854 570656708 /nfs/dbraw/zinc/65/67/08/570656708.db2.gz VBNIJJVHTJBSJH-UHFFFAOYSA-N -1 0 397.453 1.373 50 0 GDAARM CC(C)Oc1ccc([C@H](C(=O)[O-])N2CCN(CC(=O)N3CCCC3)CC2)cc1 ZINC000055107910 570683589 /nfs/dbraw/zinc/68/35/89/570683589.db2.gz GWRKVBWERJQIIE-HXUWFJFHSA-N -1 0 389.496 1.840 50 0 GDAARM COC(=O)c1ccc([N-]S(=O)(=O)c2cc3n(c2)CCN(C(C)C)C3=O)cc1 ZINC000065254769 570752357 /nfs/dbraw/zinc/75/23/57/570752357.db2.gz CUQZPNRUXRWMIP-UHFFFAOYSA-N -1 0 391.449 1.940 50 0 GDAARM CCn1nc(C(=O)[O-])c2c1CCN(C(=O)C1CCN(C(=O)C(C)C)CC1)C2 ZINC000067688421 570786156 /nfs/dbraw/zinc/78/61/56/570786156.db2.gz NIHPOXNWLLBXBW-UHFFFAOYSA-N -1 0 376.457 1.381 50 0 GDAARM CC[C@@H](OC)C(=O)N1CCc2c(c(C(=O)[O-])nn2Cc2ccc(OC)cc2)C1 ZINC000067713603 570787208 /nfs/dbraw/zinc/78/72/08/570787208.db2.gz ZNLUYEUNLQZZOM-QGZVFWFLSA-N -1 0 387.436 1.948 50 0 GDAARM COc1ccc(Cn2nc(C(=O)[O-])c3c2CCN(C(=O)c2c[nH]cn2)C3)cc1 ZINC000067956058 570798683 /nfs/dbraw/zinc/79/86/83/570798683.db2.gz REUXBNHKPOSKED-UHFFFAOYSA-N -1 0 381.392 1.560 50 0 GDAARM CCCCNC(=O)CN1CCN(c2ccc(NC(C)=O)cc2C(=O)[O-])CC1 ZINC000033078712 570805341 /nfs/dbraw/zinc/80/53/41/570805341.db2.gz SCXURBMWSVPOQE-UHFFFAOYSA-N -1 0 376.457 1.382 50 0 GDAARM NS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2N2CCCC2=O)c1 ZINC000012508389 570824320 /nfs/dbraw/zinc/82/43/20/570824320.db2.gz GJSPUNFAJSRHQN-UHFFFAOYSA-N -1 0 395.462 1.262 50 0 GDAARM Cc1cccc(C[C@H](CNC(=O)[C@@H]2CS[C@]3(C)CCC(=O)N23)C(=O)[O-])c1 ZINC000299750185 570827789 /nfs/dbraw/zinc/82/77/89/570827789.db2.gz MSGQKLNEHCCUPY-ZRGWGRIASA-N -1 0 376.478 1.809 50 0 GDAARM O=C([O-])CCN(C[C@@H]1CCCO1)C(=O)C[C@H]1Sc2ccccc2NC1=O ZINC000299752571 570829373 /nfs/dbraw/zinc/82/93/73/570829373.db2.gz UPSDGLFZCNEMJL-SWLSCSKDSA-N -1 0 378.450 1.972 50 0 GDAARM O=C([O-])[C@@H](CNC(=O)[C@H]1CC(=O)N(Cc2ccccn2)C1)Cc1ccccc1 ZINC000299753062 570829941 /nfs/dbraw/zinc/82/99/41/570829941.db2.gz WRMCMRPBXLZROP-SJORKVTESA-N -1 0 381.432 1.490 50 0 GDAARM COc1cc(OC)c2c(C)c(CC(=O)N3CCC(C(=O)[O-])CC3)c(=O)oc2c1 ZINC000002117365 570952965 /nfs/dbraw/zinc/95/29/65/570952965.db2.gz OBTSCDRKJBNEPY-UHFFFAOYSA-N -1 0 389.404 1.984 50 0 biogenic GDAARM COC(=O)c1cc(OC)ccc1[N-]S(=O)(=O)c1cnc2c(c1)c(C)nn2C ZINC000060353892 570970387 /nfs/dbraw/zinc/97/03/87/570970387.db2.gz FZOBBSONTDBKHF-UHFFFAOYSA-N -1 0 390.421 1.873 50 0 GDAARM Cc1cc(O[C@H]2CCN(S(=O)(=O)c3ccc(F)c(C(=O)[O-])c3)C2)nc(C)n1 ZINC000585147319 570977583 /nfs/dbraw/zinc/97/75/83/570977583.db2.gz ARUOXANGUWHRBD-LBPRGKRZSA-N -1 0 395.412 1.773 50 0 GDAARM Cc1cc(C(=O)N(CCC(=O)[O-])C[C@H]2CCCO2)cc(S(N)(=O)=O)c1C ZINC000299753715 600954316 /nfs/dbraw/zinc/95/43/16/600954316.db2.gz ZBENLZWHSXCIAK-CQSZACIVSA-N -1 0 384.454 1.047 50 0 GDAARM O=C([O-])[C@@H]1COCCN1C(=O)c1csc(-c2cnn(-c3ccccc3)c2)n1 ZINC000299749461 601610392 /nfs/dbraw/zinc/61/03/92/601610392.db2.gz KJZOHUYDIGNKMF-HNNXBMFYSA-N -1 0 384.417 1.921 50 0 GDAARM CC(=O)N1CCc2ccc(S(=O)(=O)NC3(C(=O)[O-])CCCC3)cc2CC1 ZINC000285178220 950525347 /nfs/dbraw/zinc/52/53/47/950525347.db2.gz QEMJIOMDMNLWHX-UHFFFAOYSA-N -1 0 380.466 1.309 50 0 GDAARM O=C([O-])c1cn([C@@H]2CCCN(C(=O)c3ccc(N4CCCC4=O)cc3)C2)nn1 ZINC000649254831 975394684 /nfs/dbraw/zinc/39/46/84/975394684.db2.gz IGWZUASICGJPON-OAHLLOKOSA-N -1 0 383.408 1.580 50 0 GDAARM O=C([O-])CCN(C(=O)c1cc(N2CCNC2=O)ccc1Cl)C1CCOCC1 ZINC000408513355 231048306 /nfs/dbraw/zinc/04/83/06/231048306.db2.gz XAFZUGWWSOUPEW-UHFFFAOYSA-N -1 0 395.843 1.966 50 0 GDAARM CCC(NCCN1CCOCC1)=C1C(=O)[N-]C(=O)N(c2ccc(C)cc2)C1=O ZINC000019365616 210243191 /nfs/dbraw/zinc/24/31/91/210243191.db2.gz DHBUGGZJZOROKO-WUKNDPDISA-N -1 0 386.452 1.164 50 0 GDAARM O=C([O-])[C@@H]1CCCC[C@H]1C(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000017077762 210203023 /nfs/dbraw/zinc/20/30/23/210203023.db2.gz UCQDIXNNZANPSN-HZPDHXFCSA-N -1 0 380.466 1.411 50 0 GDAARM CC[C@H](C)c1ccc(S(=O)(=O)N2CCN(C(=O)CCC(=O)[O-])CC2)cc1 ZINC000017078099 210202264 /nfs/dbraw/zinc/20/22/64/210202264.db2.gz KAKBIKNDAXEOTC-AWEZNQCLSA-N -1 0 382.482 1.898 50 0 GDAARM CN1C[C@]2(CCCN(C(=O)NCCc3nc(C(=O)[O-])cs3)CC2)OC1=O ZINC000426477349 529829795 /nfs/dbraw/zinc/82/97/95/529829795.db2.gz HGAUHSYDVCPQGX-MRXNPFEDSA-N -1 0 382.442 1.400 50 0 GDAARM COc1cc([C@@H]2CC(c3c([O-])[nH]c(=S)n(C)c3=O)=NN2)cc(OC)c1O ZINC000015834729 210173079 /nfs/dbraw/zinc/17/30/79/210173079.db2.gz KZMDTBHEBVDFDS-QMMMGPOBSA-N -1 0 378.410 1.310 50 0 GDAARM COC(=O)c1ccccc1[N-]S(=O)(=O)c1c(C)nc2sccn2c1=O ZINC000006859743 530542758 /nfs/dbraw/zinc/54/27/58/530542758.db2.gz HCPUZFMGPFGLEQ-UHFFFAOYSA-N -1 0 379.419 1.652 50 0 GDAARM Cc1cc([N-]S(=O)(=O)c2ccc(N3C(=O)CCS3(=O)=O)cc2C)no1 ZINC000011904138 530554823 /nfs/dbraw/zinc/55/48/23/530554823.db2.gz BZMVAFJZSJYSLV-UHFFFAOYSA-N -1 0 385.423 1.159 50 0 GDAARM COC1CCN(S(=O)(=O)c2cc(C(=O)[O-])ccc2Br)CC1 ZINC000013454904 530559202 /nfs/dbraw/zinc/55/92/02/530559202.db2.gz VGKLQNYYVIZOLN-UHFFFAOYSA-N -1 0 378.244 1.947 50 0 GDAARM O=S(=O)([N-]CC1CCN(S(=O)(=O)C2CC2)CC1)c1c(F)cccc1F ZINC000043961475 530637171 /nfs/dbraw/zinc/63/71/71/530637171.db2.gz KYNCEGQSENBVBV-UHFFFAOYSA-N -1 0 394.465 1.447 50 0 GDAARM Cc1cc(Br)c([O-])c(C(=O)NCCCN(C)S(C)(=O)=O)c1 ZINC000047832828 530663380 /nfs/dbraw/zinc/66/33/80/530663380.db2.gz KCZKAMYLOIGKDM-UHFFFAOYSA-N -1 0 379.276 1.474 50 0 GDAARM O=C([O-])c1cc(S(=O)(=O)NC[C@@H]2CCN(CC(F)(F)F)C2)ccc1F ZINC000238004768 531053300 /nfs/dbraw/zinc/05/33/00/531053300.db2.gz GXOKVFUVDJHBOZ-VIFPVBQESA-N -1 0 384.351 1.686 50 0 GDAARM C[C@@H](SCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1)C(=O)[O-] ZINC000012978185 210038592 /nfs/dbraw/zinc/03/85/92/210038592.db2.gz YKJKBYQHTGEEDG-GFCCVEGCSA-N -1 0 375.468 1.293 50 0 GDAARM COc1ccccc1N1CCN(S(=O)(=O)c2ccc(C(=O)[O-])cc2)CC1 ZINC000011616143 209876932 /nfs/dbraw/zinc/87/69/32/209876932.db2.gz ONAUMIOKHBNYGA-UHFFFAOYSA-N -1 0 376.434 1.904 50 0 GDAARM C[C@@H](C(=O)[O-])N1CCN(S(=O)(=O)c2ccc(OC(F)(F)F)cc2)CC1 ZINC000299741189 532023332 /nfs/dbraw/zinc/02/33/32/532023332.db2.gz DLYYYCLNVMWPJM-JTQLQIEISA-N -1 0 382.360 1.365 50 0 GDAARM COCCOCC(=O)Nc1ccc(S(=O)(=O)[N-]c2nc(C)cc(C)n2)cc1 ZINC000001834017 209339771 /nfs/dbraw/zinc/33/97/71/209339771.db2.gz JNIKPHYTISOTMU-UHFFFAOYSA-N -1 0 394.453 1.496 50 0 GDAARM O=C([O-])CCc1nn2c3ccccc3n(CC(=O)c3ccccc3)c2nc1=O ZINC000001117084 209302013 /nfs/dbraw/zinc/30/20/13/209302013.db2.gz DQCRKVAFTIHTFC-UHFFFAOYSA-N -1 0 376.372 1.944 50 0 GDAARM Cn1nccc1C1=NN(C(=O)CCC(=O)[O-])[C@@H](c2cnc3ccccc3n2)C1 ZINC000225505382 211903311 /nfs/dbraw/zinc/90/33/11/211903311.db2.gz PSZLYPXCTSFUOO-QGZVFWFLSA-N -1 0 378.392 1.906 50 0 GDAARM CCc1cc(=O)oc2c(C)c(OCC(=O)N[C@@H](CSC)C(=O)[O-])ccc12 ZINC000002115747 211513389 /nfs/dbraw/zinc/51/33/89/211513389.db2.gz BUTWXPFDDQBUKW-ZDUSSCGKSA-N -1 0 379.434 1.975 50 0 biogenic GDAARM O=C([O-])[C@H]1CCCN1C(=O)Cn1cnc2ccc(Br)cc2c1=O ZINC000238071575 211477018 /nfs/dbraw/zinc/47/70/18/211477018.db2.gz SGJCXGUDNGRQOR-GFCCVEGCSA-N -1 0 380.198 1.235 50 0 GDAARM O=C(Cn1[nH][n-]c2c(=O)n(-c3cccc(F)c3)c(=O)c1=2)Nc1cccc(F)c1 ZINC000103085909 211419219 /nfs/dbraw/zinc/41/92/19/211419219.db2.gz KWWZVRLVAGZKGI-HOTGVXAUSA-N -1 0 385.330 1.897 50 0 GDAARM COc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4ccccc4C)c=3c2=O)cc1 ZINC000101165973 211395958 /nfs/dbraw/zinc/39/59/58/211395958.db2.gz ZBWNFHHTSURDNA-ROUUACIJSA-N -1 0 393.403 1.936 50 0 GDAARM COC(=O)c1[n-]n(-c2ccccc2)c2c(O)n(-c3ccccc3OC)c(=O)c1-2 ZINC000100622577 211389030 /nfs/dbraw/zinc/38/90/30/211389030.db2.gz TYDWHRGWXYQNIK-DOTOQJQBSA-N -1 0 379.372 1.602 50 0 GDAARM NS(=O)(=O)c1ccc(CNC(=O)c2cc(=O)c3cccc(F)c3[n-]2)cc1 ZINC000097272570 211362957 /nfs/dbraw/zinc/36/29/57/211362957.db2.gz NMSOPQLRCQIEBA-UHFFFAOYSA-N -1 0 375.381 1.245 50 0 GDAARM COCCN1CCn2cc(S(=O)(=O)[N-]c3cc(F)cc(F)c3)cc2C1=O ZINC000096102067 211302776 /nfs/dbraw/zinc/30/27/76/211302776.db2.gz DXUQOUPXNBDAFW-UHFFFAOYSA-N -1 0 385.392 1.669 50 0 GDAARM C/C(=C\C(=O)N1CCN(S(=O)(=O)c2cc(C(=O)[O-])cs2)CC1)C1CC1 ZINC000095989469 211293072 /nfs/dbraw/zinc/29/30/72/211293072.db2.gz LWPINANKAAURAA-DHZHZOJOSA-N -1 0 384.479 1.636 50 0 GDAARM O=C([O-])C[C@H]1CN(C(=O)C2CCN(C(=O)CCc3ccccc3)CC2)CCO1 ZINC000095970727 211289311 /nfs/dbraw/zinc/28/93/11/211289311.db2.gz KYZJAWMONMOPCW-SFHVURJKSA-N -1 0 388.464 1.560 50 0 GDAARM CS(=O)(=O)c1ccc(C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)[O-])o1 ZINC000095424429 211238926 /nfs/dbraw/zinc/23/89/26/211238926.db2.gz ZTAMPQOXEUKSQW-CYBMUJFWSA-N -1 0 376.390 1.590 50 0 GDAARM COCCOc1ccccc1C(=O)N(C)CC(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC000095464481 211243752 /nfs/dbraw/zinc/24/37/52/211243752.db2.gz GWUONVXEYZVTBY-AWEZNQCLSA-N -1 0 378.425 1.107 50 0 GDAARM CN1C(=O)Cc2cc(S(=O)(=O)[N-]c3ccccc3S(C)(=O)=O)ccc21 ZINC000095447981 211241403 /nfs/dbraw/zinc/24/14/03/211241403.db2.gz SNSYJTVJDAMHQF-UHFFFAOYSA-N -1 0 380.447 1.410 50 0 GDAARM CN1C(=O)C[C@@H](C(=O)[O-])C12CCN(C(=O)CCc1ccc3c(c1)OCO3)CC2 ZINC000095369168 211227524 /nfs/dbraw/zinc/22/75/24/211227524.db2.gz WMVKWSHGWYPLIN-AWEZNQCLSA-N -1 0 388.420 1.272 50 0 GDAARM O=C([O-])[C@@H]1CN(C(=O)CN2CCOc3ccccc3C2)C[C@H]1c1ccncc1 ZINC000091691112 211203854 /nfs/dbraw/zinc/20/38/54/211203854.db2.gz RAOSVCDLYPTQHY-ZWKOTPCHSA-N -1 0 381.432 1.603 50 0 GDAARM Cc1ccoc1C(=O)[N-]S(=O)(=O)c1ccc(NS(C)(=O)=O)c(F)c1 ZINC000089701967 211184382 /nfs/dbraw/zinc/18/43/82/211184382.db2.gz OXSYPGLFCWIDTR-UHFFFAOYSA-N -1 0 376.387 1.217 50 0 GDAARM CN(C)c1ccc(-c2cc(C(=O)[O-])cc(S(=O)(=O)N3CCOCC3)c2)cn1 ZINC000071707968 211051375 /nfs/dbraw/zinc/05/13/75/211051375.db2.gz JFIWFZZYBZHGSC-UHFFFAOYSA-N -1 0 391.449 1.534 50 0 GDAARM CC[C@H](C)[C@H](NC(=O)Cn1nc(-c2ccc(F)cc2OC)ccc1=O)C(=O)[O-] ZINC000071334542 211047446 /nfs/dbraw/zinc/04/74/46/211047446.db2.gz IZACDIYRKDMMCB-VOJFVSQTSA-N -1 0 391.399 1.674 50 0 GDAARM O=C([O-])c1nccnc1C(=O)Nc1ccc(NC(=O)CN2CCCCC2)cc1 ZINC000071286669 211044496 /nfs/dbraw/zinc/04/44/96/211044496.db2.gz NBNIZFLHEVQIPU-UHFFFAOYSA-N -1 0 383.408 1.852 50 0 GDAARM Cc1nc2ccccn2c1CC(=O)N1CCC(c2cc(CC(=O)[O-])n[nH]2)CC1 ZINC000067542246 211011367 /nfs/dbraw/zinc/01/13/67/211011367.db2.gz LPSOWGVIPHBNED-UHFFFAOYSA-N -1 0 381.436 1.942 50 0 GDAARM CCOCCn1c(=O)n(CCn2cc(Cl)cn2)c2cc(C(=O)[O-])cnc21 ZINC000055576307 210889748 /nfs/dbraw/zinc/88/97/48/210889748.db2.gz CPVCRNVPLSPBIL-UHFFFAOYSA-N -1 0 379.804 1.483 50 0 GDAARM COc1ccc(-c2nc(C)c(C(=O)NCC(=O)NCC(=O)[O-])s2)cc1OC ZINC000040309274 210784400 /nfs/dbraw/zinc/78/44/00/210784400.db2.gz SFYMYUPKFQTVSP-UHFFFAOYSA-N -1 0 393.421 1.066 50 0 biogenic GDAARM Cc1ccc2[nH]cc([C@@H](C(=O)[O-])N3CCN([C@@H]4CCS(=O)(=O)C4)CC3)c2c1 ZINC000020720087 210356893 /nfs/dbraw/zinc/35/68/93/210356893.db2.gz IUPQENJKGPOOSX-KDOFPFPSSA-N -1 0 391.493 1.407 50 0 GDAARM Cn1ncc(C(=O)[O-])c1C(=O)N1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000020614645 210352180 /nfs/dbraw/zinc/35/21/80/210352180.db2.gz AHEKHICLXUXFLQ-UHFFFAOYSA-N -1 0 380.807 1.869 50 0 GDAARM O=C([O-])c1cccc(N2C(=O)C[C@H](Nc3ccc(N4CCOCC4)cc3)C2=O)c1 ZINC000019774968 210296785 /nfs/dbraw/zinc/29/67/85/210296785.db2.gz FRJKJLXNOOVERF-SFHVURJKSA-N -1 0 395.415 1.965 50 0 GDAARM COc1cc(C(=O)N2CCO[C@@H](C(=O)[O-])C2)ccc1OCc1c(C)noc1C ZINC000408513459 533522411 /nfs/dbraw/zinc/52/24/11/533522411.db2.gz PHTDGAQBTHUSIK-QGZVFWFLSA-N -1 0 390.392 1.805 50 0 GDAARM CC[C@@]1(O)CCCN(c2ncc(C(C)(C)C(=O)[O-])c(N3CCOCC3)n2)C1 ZINC000096162825 136184905 /nfs/dbraw/zinc/18/49/05/136184905.db2.gz IPOIIUIQAZUUQZ-LJQANCHMSA-N -1 0 378.473 1.417 50 0 GDAARM CCOc1ccc(-c2noc(CCC(=O)N3CCOC[C@@H]3C(=O)[O-])n2)cc1 ZINC000262482979 520826969 /nfs/dbraw/zinc/82/69/69/520826969.db2.gz KSNVNWPKTADVQP-CQSZACIVSA-N -1 0 375.381 1.380 50 0 GDAARM CCOc1ccc(S(=O)(=O)N2CCN([C@@H](C)C(=O)[O-])CC2)cc1OCC ZINC000265269073 528577857 /nfs/dbraw/zinc/57/78/57/528577857.db2.gz SWUZVMGOVKJHJK-ZDUSSCGKSA-N -1 0 386.470 1.263 50 0 GDAARM CCOc1ccc(S(=O)(=O)NCc2ccc3c(c2)OCO3)cc1C(=O)[O-] ZINC000004107590 570357412 /nfs/dbraw/zinc/35/74/12/570357412.db2.gz SPDQJTLNYVWHGJ-UHFFFAOYSA-N -1 0 379.390 1.991 50 0 GDAARM CCS(=O)(=O)c1ccc(O)c([N-]S(=O)(=O)c2ccccc2C(=O)OC)c1 ZINC000024843375 570396250 /nfs/dbraw/zinc/39/62/50/570396250.db2.gz VANNVLQLIXXOOS-UHFFFAOYSA-N -1 0 399.446 1.773 50 0 GDAARM Cn1c2ccccc2nc1[C@@H]1CCCCN1C(=O)CCc1n[nH]c(=O)[n-]c1=O ZINC000253623780 570420879 /nfs/dbraw/zinc/42/08/79/570420879.db2.gz LLDXIALGXNBVOC-HNNXBMFYSA-N -1 0 382.424 1.856 50 0 GDAARM CC[C@H](C)[C@@H](NC(=O)[C@H](C(C)C)n1c(=O)[nH]c2ccccc2c1=O)C(=O)[O-] ZINC000248240363 570450477 /nfs/dbraw/zinc/45/04/77/570450477.db2.gz OGVIIIBTINXGHG-GLQYFDAESA-N 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CCOC(=O)c1sc(NC(=O)[C@H]2CC=CC[C@H]2C(=O)[O-])c(C(N)=O)c1C ZINC000002922562 570539042 /nfs/dbraw/zinc/53/90/42/570539042.db2.gz GDEAVUWMZTUVRB-VHSXEESVSA-N -1 0 380.422 1.938 50 0 GDAARM COc1cccc2ccn(CCC(=O)N[C@@H](CCCNC(N)=O)C(=O)[O-])c21 ZINC000206415386 570539334 /nfs/dbraw/zinc/53/93/34/570539334.db2.gz NHUCBOCNPNNQCH-ZDUSSCGKSA-N -1 0 376.413 1.058 50 0 GDAARM COc1cccc(-n2c3nc(-c4ccccc4[O-])nc(C(N)=O)c3[nH]c2=O)c1 ZINC000005271190 570547186 /nfs/dbraw/zinc/54/71/86/570547186.db2.gz XYPIXLPGRRMJRT-UHFFFAOYSA-N -1 0 377.360 1.589 50 0 GDAARM CC(=O)c1cn(CCC(=O)N[C@H](CCCNC(N)=O)C(=O)[O-])c2ccccc12 ZINC000040310006 570565293 /nfs/dbraw/zinc/56/52/93/570565293.db2.gz KSROGWRNPUBFLA-OAHLLOKOSA-N -1 0 388.424 1.252 50 0 biogenic GDAARM O=C([C@H]1CCN(c2ccc(F)c(F)c2)C1=O)N1CCC[C@@H](c2nnn[n-]2)C1 ZINC000155486111 570687295 /nfs/dbraw/zinc/68/72/95/570687295.db2.gz FEHRCGRTGNCHAL-ZYHUDNBSSA-N -1 0 376.367 1.237 50 0 GDAARM COc1cc(C(=O)N2CCO[C@@H](C(=O)[O-])C2)ccc1OCc1cscn1 ZINC000262964744 570701553 /nfs/dbraw/zinc/70/15/53/570701553.db2.gz KTQTXFFENNXHSG-OAHLLOKOSA-N -1 0 378.406 1.656 50 0 GDAARM CCc1ccc(-n2c(O)c3[nH][n-]c(C(=O)OCc4ccccc4)c-3c2=O)cc1 ZINC000004361402 570709638 /nfs/dbraw/zinc/70/96/38/570709638.db2.gz KFOAXRFHCHEMOQ-IAGOWNOFSA-N -1 0 377.400 1.810 50 0 GDAARM CSCC[C@@H](NC(=O)COc1cc(O)c2c(c1)OC(C)(C)CC2=O)C(=O)[O-] ZINC000036569319 570741925 /nfs/dbraw/zinc/74/19/25/570741925.db2.gz KUCNEGXKHSMELJ-LLVKDONJSA-N -1 0 397.449 1.837 50 0 GDAARM O=C(Cn1nc(-c2cccs2)ccc1=O)NC[C@H]1CC[C@H](C(=O)[O-])CC1 ZINC000238901815 570812705 /nfs/dbraw/zinc/81/27/05/570812705.db2.gz MWUJWUHYGWEQSV-JOCQHMNTSA-N -1 0 375.450 1.979 50 0 GDAARM COc1cc([C@H](CC(=O)[O-])NC(=O)Cc2ccccc2)ccc1OCC(N)=O ZINC000004574445 570899501 /nfs/dbraw/zinc/89/95/01/570899501.db2.gz ONCSCNFRKMUZJO-HNNXBMFYSA-N -1 0 386.404 1.434 50 0 GDAARM O=C([O-])[C@@H]1CCCC[C@H]1C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000000794204 570929957 /nfs/dbraw/zinc/92/99/57/570929957.db2.gz CENXCJHCGKRXDR-HZPDHXFCSA-N 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COC[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)c1cc(Cl)c(OC)cc1OC ZINC000643971316 653593439 /nfs/dbraw/zinc/59/34/39/653593439.db2.gz JDSHWHSXMYAWHW-OAHLLOKOSA-N -1 0 393.845 1.612 50 0 GDAARM Cn1c(-c2ccc(C(=O)[O-])cc2)nc2c1c(=O)[nH]c(=O)n2Cc1ccccc1 ZINC000048875701 957468194 /nfs/dbraw/zinc/46/81/94/957468194.db2.gz GJASKUKGGIMJQL-UHFFFAOYSA-N -1 0 376.372 1.837 50 0 GDAARM Cc1cc(C(F)(F)F)n2ncc(C(=O)N[C@@H](Cc3c[nH]cn3)C(=O)[O-])c2n1 ZINC000426691354 231252470 /nfs/dbraw/zinc/25/24/70/231252470.db2.gz WBSWJLJXFSAAPK-JTQLQIEISA-N -1 0 382.302 1.205 50 0 GDAARM COCCCN1C(=O)[N-]C(=O)C(=C2C[C@@H](c3c[nH]c4ccccc43)NN2)C1=O ZINC000017113076 210204179 /nfs/dbraw/zinc/20/41/79/210204179.db2.gz COLZXPFLJOPSBR-DQHOPXMZSA-N -1 0 383.408 1.916 50 0 GDAARM CN1CC[C@@H](C(=O)N[C@@H](CC(=O)[O-])c2cccc(Br)c2)CC1=O ZINC000138025547 529792151 /nfs/dbraw/zinc/79/21/51/529792151.db2.gz WJIXNTVBILEHET-YPMHNXCESA-N -1 0 383.242 1.950 50 0 GDAARM Cc1[nH]c(=O)[nH]c(=O)c1S(=O)(=O)[N-]c1cc(C(F)(F)F)ccc1Cl ZINC000016671339 210192802 /nfs/dbraw/zinc/19/28/02/210192802.db2.gz UGCVUTZAGBRERN-UHFFFAOYSA-N -1 0 383.735 1.845 50 0 GDAARM CS(=O)(=O)[N-]c1nc(CC(=O)N2CCN(c3ccccc3)CC2)cs1 ZINC000008991160 530550348 /nfs/dbraw/zinc/55/03/48/530550348.db2.gz CTNAVVQUJKSPSK-UHFFFAOYSA-N -1 0 380.495 1.406 50 0 GDAARM CC(C)[C@H](NS(=O)(=O)c1ccc(I)cc1)C(=O)[O-] ZINC000004867423 530537353 /nfs/dbraw/zinc/53/73/53/530537353.db2.gz STDRLPUYJVGFOD-JTQLQIEISA-N -1 0 383.207 1.679 50 0 GDAARM CCn1ncn2cc(S(=O)(=O)[N-]c3cc(Cl)ccc3OC)cc2c1=O ZINC000065246787 530753706 /nfs/dbraw/zinc/75/37/06/530753706.db2.gz IRQSMNJRTRNFAR-UHFFFAOYSA-N -1 0 382.829 1.979 50 0 GDAARM CCOCCC1C(=O)N=C(SCC(=O)Nc2cccc(OC)c2)N=C1[O-] ZINC000013957218 210098454 /nfs/dbraw/zinc/09/84/54/210098454.db2.gz LGXDMDHGXKRTIF-UHFFFAOYSA-N -1 0 379.438 1.794 50 0 GDAARM Cc1c2cc(Cl)c([O-])cc2oc(=O)c1CC(=O)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000013628625 210073242 /nfs/dbraw/zinc/07/32/42/210073242.db2.gz DTUQHXMZSXOCTC-SNVBAGLBSA-N -1 0 399.852 1.648 50 0 GDAARM CC(C)(CNS(=O)(=O)c1cc(C(=O)[O-])ccc1Cl)N1CCOCC1 ZINC000013071825 210050259 /nfs/dbraw/zinc/05/02/59/210050259.db2.gz ZRWCDTLKSXBUSV-UHFFFAOYSA-N -1 0 376.862 1.427 50 0 GDAARM CC(=O)Nc1ccc(S(=O)(=O)Nc2cc3c(cc2C(=O)[O-])OCCO3)cc1 ZINC000013090197 210049158 /nfs/dbraw/zinc/04/91/58/210049158.db2.gz RVBPEZRUGOQSDG-UHFFFAOYSA-N -1 0 392.389 1.915 50 0 GDAARM CC(C)[C@@H](NC(=O)c1ccc(S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)cc1)C(=O)[O-] ZINC000012812243 210012722 /nfs/dbraw/zinc/01/27/22/210012722.db2.gz WRSHLQFNIZBRNG-DVOMOZLQSA-N -1 0 398.481 1.324 50 0 GDAARM O=C([N-]S(=O)(=O)C[C@@H]1CCOC1)c1cnc(Cc2ccc(F)cc2)s1 ZINC000157893895 531207402 /nfs/dbraw/zinc/20/74/02/531207402.db2.gz TYKSXKFOKGQUAA-GFCCVEGCSA-N -1 0 384.454 1.969 50 0 GDAARM CN(C)S(=O)(=O)CCN(Cc1ccccn1)C(=O)c1ccccc1C(=O)[O-] ZINC000009423701 209828355 /nfs/dbraw/zinc/82/83/55/209828355.db2.gz KEYBFBBNAXAHDA-UHFFFAOYSA-N -1 0 391.449 1.314 50 0 GDAARM CS(=O)(=O)c1ccc(Br)c(C(=O)N2CCC[C@H](C(=O)[O-])C2)c1 ZINC000268909272 531586592 /nfs/dbraw/zinc/58/65/92/531586592.db2.gz FMAMYALWBURDCZ-VIFPVBQESA-N -1 0 390.255 1.789 50 0 GDAARM C[C@H](Oc1ccc(F)cc1Br)C(=O)N1CCOC[C@H]1C(=O)[O-] ZINC000268966427 531593003 /nfs/dbraw/zinc/59/30/03/531593003.db2.gz DDDPQMHDNYKKSW-KWQFWETISA-N -1 0 376.178 1.668 50 0 GDAARM CS(=O)(=O)c1ccccc1C(=O)Nc1cc2c(cc1C(=O)[O-])OCCO2 ZINC000006937501 209708901 /nfs/dbraw/zinc/70/89/01/209708901.db2.gz DNHRVUHOEDARHM-UHFFFAOYSA-N -1 0 377.374 1.812 50 0 GDAARM NS(=O)(=O)c1ccc(CCNC(=O)[C@H]2C3CCC(CC3)[C@@H]2C(=O)[O-])cc1 ZINC000006829059 209694069 /nfs/dbraw/zinc/69/40/69/209694069.db2.gz OAAHQMASKVEKEL-BGHVQYPCSA-N -1 0 380.466 1.130 50 0 GDAARM COc1cc(/C=C/C(=O)[O-])cc(S(=O)(=O)NCCc2ccccn2)c1OC ZINC000005981785 209624009 /nfs/dbraw/zinc/62/40/09/209624009.db2.gz VJGDEFZKRQJWER-VOTSOKGWSA-N -1 0 392.433 1.718 50 0 GDAARM CCOC(=O)COc1c(Br)cc(/C=C2/NC(=O)[N-]C2=O)cc1OC ZINC000001098502 209299440 /nfs/dbraw/zinc/29/94/40/209299440.db2.gz XCAYZXOATVJYPC-BJMVGYQFSA-N -1 0 399.197 1.580 50 0 GDAARM CCn1cc(C(=O)[O-])c(=O)c2cc(F)c(N3CCN(C(=S)NC)CC3)cc21 ZINC000001079684 209298232 /nfs/dbraw/zinc/29/82/32/209298232.db2.gz OASKTZHQKRPDKQ-UHFFFAOYSA-N -1 0 392.456 1.485 50 0 GDAARM CC(=O)[N-]S(=O)(=O)c1ccc(NC(=O)c2cc3ccccc3oc2=O)cc1 ZINC000000994061 209287363 /nfs/dbraw/zinc/28/73/63/209287363.db2.gz QAUFSNQUMYOGOL-UHFFFAOYSA-N -1 0 386.385 1.870 50 0 GDAARM CSCC[C@@H](NC(=S)N1C[C@H]2C[C@@H](C1)Cn1c(=O)cccc12)C(=O)[O-] ZINC000002108026 209229338 /nfs/dbraw/zinc/22/93/38/209229338.db2.gz BAWLQDPSTMSAIC-YNEHKIRRSA-N -1 0 381.523 1.348 50 0 GDAARM COc1cccc(CN2CCN([C@@H](C(=O)[O-])c3ccc(CO)cc3)CC2=O)c1 ZINC000095368825 212067207 /nfs/dbraw/zinc/06/72/07/212067207.db2.gz HNCDIBGEQSHCFY-HXUWFJFHSA-N -1 0 384.432 1.658 50 0 GDAARM Cc1ccc([C@]2(C)NC(=O)N(CC(=O)NCc3ccc(C(=O)[O-])cc3)C2=O)cc1 ZINC000013092400 209164729 /nfs/dbraw/zinc/16/47/29/209164729.db2.gz HUEBTRCEIVISLI-NRFANRHFSA-N -1 0 395.415 1.777 50 0 GDAARM O=C([O-])CCN(C(=O)Cn1cccc(C(F)(F)F)c1=O)C1CCOCC1 ZINC000328595569 209145395 /nfs/dbraw/zinc/14/53/95/209145395.db2.gz YKAAHLDMXPVPFS-UHFFFAOYSA-N -1 0 376.331 1.349 50 0 GDAARM Cc1cccc(C[C@H](CNC(=O)[C@@H]2CC(=O)N(CC(F)(F)F)C2)C(=O)[O-])c1 ZINC000237671391 211474547 /nfs/dbraw/zinc/47/45/47/211474547.db2.gz XAPHKFBFDWCOFQ-ZIAGYGMSSA-N -1 0 386.370 1.765 50 0 GDAARM COc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4ccccc4F)c=3c2=O)cc1 ZINC000101174357 211396345 /nfs/dbraw/zinc/39/63/45/211396345.db2.gz WLOOFXUGHHELPQ-IRXDYDNUSA-N -1 0 397.366 1.766 50 0 GDAARM C[C@@H](CCNS(=O)(=O)c1ccc(N2CCCS2(=O)=O)cc1)CC(=O)[O-] ZINC000097165134 211361061 /nfs/dbraw/zinc/36/10/61/211361061.db2.gz LMIKCTHWKRWUBN-LBPRGKRZSA-N -1 0 390.483 1.006 50 0 GDAARM C[C@H](CCNS(=O)(=O)c1ccc(N2CCCS2(=O)=O)cc1)CC(=O)[O-] ZINC000097165135 211360879 /nfs/dbraw/zinc/36/08/79/211360879.db2.gz LMIKCTHWKRWUBN-GFCCVEGCSA-N -1 0 390.483 1.006 50 0 GDAARM COc1cc(C(=O)[O-])cc(NC(=O)C2CCN(S(C)(=O)=O)CC2)c1OC ZINC000095970207 211289205 /nfs/dbraw/zinc/28/92/05/211289205.db2.gz OXOBMDYQZBSJIK-UHFFFAOYSA-N -1 0 386.426 1.012 50 0 GDAARM COc1ccc(S(=O)(=O)N[C@@H](C(=O)N2CC[C@@](C)(C(=O)[O-])C2)C(C)C)cc1 ZINC000095970829 211288883 /nfs/dbraw/zinc/28/88/83/211288883.db2.gz GQCAFOMLSYDEBB-CRAIPNDOSA-N -1 0 398.481 1.321 50 0 GDAARM CC(=O)N1CCC(Oc2ccc(Cl)cc2C(=O)N[C@@H](C)c2nnn[n-]2)CC1 ZINC000095528334 211273441 /nfs/dbraw/zinc/27/34/41/211273441.db2.gz OOUIWVHFWDECEO-JTQLQIEISA-N -1 0 392.847 1.734 50 0 GDAARM COc1ccc([C@@H](C(=O)[O-])N2CCN(C(=O)c3ccco3)CC2)c(OC)n1 ZINC000095389014 211236472 /nfs/dbraw/zinc/23/64/72/211236472.db2.gz KJNDLZNOIFARMY-HNNXBMFYSA-N -1 0 375.381 1.276 50 0 GDAARM COc1ccc(NC(=O)N2CCC3(CC2)NC(=O)C[C@@H]3C(=O)[O-])cc1Cl ZINC000095363079 211226066 /nfs/dbraw/zinc/22/60/66/211226066.db2.gz STFNMFDRVPORCY-LLVKDONJSA-N -1 0 381.816 1.936 50 0 GDAARM CC(C)Cc1cc(C(=O)N2CCC3(CC2)[C@@H](C(=O)[O-])CC(=O)N3C)n(C)n1 ZINC000095365372 211225746 /nfs/dbraw/zinc/22/57/46/211225746.db2.gz SSUPWPWVLFFFEM-CQSZACIVSA-N -1 0 376.457 1.156 50 0 GDAARM 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ZINC000032998214 570589118 /nfs/dbraw/zinc/58/91/18/570589118.db2.gz LFKKATQRXBMPMR-UHFFFAOYSA-N -1 0 390.421 1.721 50 0 GDAARM CCOC(=O)[C@H]1CCCN(c2ccc(NS(=O)(=O)CC)c(C(=O)[O-])c2)C1 ZINC000033007199 570619705 /nfs/dbraw/zinc/61/97/05/570619705.db2.gz SQRHHIMSTMQHPJ-LBPRGKRZSA-N -1 0 384.454 1.926 50 0 GDAARM CC[C@@](C)(CC(=O)[O-])CC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000006847291 570647099 /nfs/dbraw/zinc/64/70/99/570647099.db2.gz DVBITVBXRZFOOF-GOSISDBHSA-N -1 0 382.482 1.801 50 0 GDAARM O=C([O-])C1CCC(CNC(=O)Cn2nc(-c3cccs3)ccc2=O)CC1 ZINC000049550468 570664732 /nfs/dbraw/zinc/66/47/32/570664732.db2.gz MWUJWUHYGWEQSV-UHFFFAOYSA-N -1 0 375.450 1.979 50 0 GDAARM O=C([O-])C1CCC(CNC(=O)COc2ccc3nc4n(c(=O)c3c2)CCC4)CC1 ZINC000013732560 570672994 /nfs/dbraw/zinc/67/29/94/570672994.db2.gz WPFDUDCUGXKLNI-UHFFFAOYSA-N -1 0 399.447 1.729 50 0 GDAARM C[C@@H]1C(=O)N(C)S(=O)(=O)N1CC(=O)N(Cc1ccco1)c1ccccc1 ZINC000240707740 570685506 /nfs/dbraw/zinc/68/55/06/570685506.db2.gz 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/nfs/dbraw/zinc/53/49/94/530534994.db2.gz PAGTXTOWLQXRJX-UHFFFAOYSA-N -1 0 380.813 1.302 50 0 GDAARM COC(=O)c1[n-]n(C(C)=O)c2c(O)n(-c3ccc(Cl)c(Cl)c3)c(=O)c1-2 ZINC000005162397 530538137 /nfs/dbraw/zinc/53/81/37/530538137.db2.gz XZQCGJHDVLRDIM-CMPLNLGQSA-N -1 0 384.175 1.243 50 0 GDAARM C[C@@H](CC(=O)[O-])CC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000006727143 530542693 /nfs/dbraw/zinc/54/26/93/530542693.db2.gz FVOPYXPNXAVVKI-SNVBAGLBSA-N -1 0 394.902 1.735 50 0 GDAARM CC(C)C[C@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)N(C)C)c1)C(=O)[O-] ZINC000012794423 530557650 /nfs/dbraw/zinc/55/76/50/530557650.db2.gz WNNDOQIKFWVRQB-LBPRGKRZSA-N -1 0 376.862 1.819 50 0 GDAARM C[C@@H](NS(=O)(=O)c1ccc(C(=O)[O-])cc1)c1ccc(S(C)(=O)=O)cc1 ZINC000013313001 530558456 /nfs/dbraw/zinc/55/84/56/530558456.db2.gz IRADYCFHBSJYKB-LLVKDONJSA-N -1 0 383.447 1.828 50 0 GDAARM O=C([N-][C@@H](O)C(Br)(Br)Br)C(F)(F)F ZINC000031350541 530602323 /nfs/dbraw/zinc/60/23/23/530602323.db2.gz YPRWUHITXSFUFV-SFOWXEAESA-N -1 0 393.779 1.822 50 0 GDAARM O=C([O-])CNC(=O)N1CCc2[nH]cnc2[C@H]1c1ccc(Br)cc1 ZINC000036369857 530614529 /nfs/dbraw/zinc/61/45/29/530614529.db2.gz PUQRKXDWSIECNK-CQSZACIVSA-N -1 0 379.214 1.914 50 0 biogenic GDAARM O=C(Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1)c1ccc(=O)[nH]c1 ZINC000013865699 210095739 /nfs/dbraw/zinc/09/57/39/210095739.db2.gz LAWOAKMNNAEJPN-UHFFFAOYSA-N -1 0 376.419 1.885 50 0 GDAARM CCc1c([O-])nc(SCC(=O)N2CCOCC2)n(-c2ccccc2)c1=O ZINC000013774920 210089880 /nfs/dbraw/zinc/08/98/80/210089880.db2.gz OFJZSGOGHFLKPR-UHFFFAOYSA-N -1 0 375.450 1.451 50 0 GDAARM Cc1cc(C(=O)N2CCO[C@@H](C(=O)[O-])C2)nn1-c1ccc(Br)cc1 ZINC000237699741 531048638 /nfs/dbraw/zinc/04/86/38/531048638.db2.gz RUKLCGARQNLRON-CQSZACIVSA-N -1 0 394.225 1.869 50 0 GDAARM O=C([O-])[C@@H]1CN(C(=O)CCNc2ncc(C(F)(F)F)cc2Cl)CCO1 ZINC000262843474 531132811 /nfs/dbraw/zinc/13/28/11/531132811.db2.gz DNVUTVYOWHODOV-JTQLQIEISA-N -1 0 381.738 1.868 50 0 GDAARM C[C@]1(c2ccccc2)NC(=O)N([N-]C(=O)c2cncc(Br)c2)C1=O ZINC000013100184 210051930 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COc1ccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4ccc(F)cc4)c(=O)c2=3)cc1 ZINC000101388024 211399337 /nfs/dbraw/zinc/39/93/37/211399337.db2.gz SFJBDGPBGYVWCB-IRXDYDNUSA-N -1 0 397.366 1.766 50 0 GDAARM O=C([O-])c1nc[nH]c1C(=O)N1CCC(C(=O)N2CCc3ccccc3C2)CC1 ZINC000097446913 211364706 /nfs/dbraw/zinc/36/47/06/211364706.db2.gz QCTQMGMRZRKICS-UHFFFAOYSA-N -1 0 382.420 1.545 50 0 GDAARM Cc1cc(C)n(Cc2cccc(C(=O)N3Cc4nc[nH]c4C[C@H]3C(=O)[O-])c2)n1 ZINC000096131631 211304153 /nfs/dbraw/zinc/30/41/53/211304153.db2.gz IOGSHGZMAJGFEJ-SFHVURJKSA-N -1 0 379.420 1.923 50 0 GDAARM C[C@@H](CN(C)C(=O)CCc1ccc(S(=O)(=O)N2CCCC2)cc1)C(=O)[O-] ZINC000095425214 211239383 /nfs/dbraw/zinc/23/93/83/211239383.db2.gz HXUIVIWRSKTWRT-AWEZNQCLSA-N -1 0 382.482 1.583 50 0 GDAARM Cc1nnc(SCCNC(=O)c2ccc(N3CC(=O)N=C3[O-])cc2)s1 ZINC000095356190 211222527 /nfs/dbraw/zinc/22/25/27/211222527.db2.gz JQODXQURFXSLTB-UHFFFAOYSA-N -1 0 377.451 1.425 50 0 GDAARM O=S(=O)(CCO)c1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2F)cc1 ZINC000078824278 211148596 /nfs/dbraw/zinc/14/85/96/211148596.db2.gz CBEODPBVFYIMGN-UHFFFAOYSA-N -1 0 395.380 1.671 50 0 GDAARM O=C([O-])CCc1cc2n(n1)CCCN(C(=O)c1ccc(-n3cnnc3)cc1)C2 ZINC000072407309 211113521 /nfs/dbraw/zinc/11/35/21/211113521.db2.gz PFTGHFOTKZPRJB-UHFFFAOYSA-N -1 0 380.408 1.527 50 0 GDAARM CC(C)N(C(=O)CN1CCN(C(=O)Cc2ccccc2C(=O)[O-])CC1)C(C)C ZINC000072403233 211111750 /nfs/dbraw/zinc/11/17/50/211111750.db2.gz ZBDJZOLDCYHKMG-UHFFFAOYSA-N -1 0 389.496 1.717 50 0 GDAARM COCCNS(=O)(=O)c1cc(C(=O)[O-])cc(-c2ccc(OC)c(OC)c2)c1 ZINC000071753818 211057814 /nfs/dbraw/zinc/05/78/14/211057814.db2.gz AHNIEQZFLAOZJJ-UHFFFAOYSA-N -1 0 395.433 1.994 50 0 GDAARM CC[C@@H](C)[C@@H](NC(=O)Cn1ncc2ccc(OC)c(OC)c2c1=O)C(=O)[O-] ZINC000071328994 211045347 /nfs/dbraw/zinc/04/53/47/211045347.db2.gz LHQAMIDHZIDRLE-MEBBXXQBSA-N -1 0 377.397 1.029 50 0 GDAARM CCOC(=O)N1CCN([C@H]2CCc3c(c(C(=O)[O-])nn3CC(C)C)C2)CC1 ZINC000067819950 211022368 /nfs/dbraw/zinc/02/23/68/211022368.db2.gz VHLIUJKKNUHLOI-AWEZNQCLSA-N -1 0 378.473 1.869 50 0 GDAARM CN(C)C(=O)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2OCCO)c1 ZINC000048302855 210850285 /nfs/dbraw/zinc/85/02/85/210850285.db2.gz GFMSNOSCLIUYNN-UHFFFAOYSA-N -1 0 382.413 1.699 50 0 GDAARM CCOc1cc2[n-]c(=S)n(CCN3CCOCC3)c(=O)c2cc1OCC ZINC000020644583 210356190 /nfs/dbraw/zinc/35/61/90/210356190.db2.gz IHJVBFZNSKYKCE-UHFFFAOYSA-N -1 0 379.482 1.815 50 0 GDAARM O=C([O-])[C@@H](c1c[nH]c2ccccc21)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC000020735908 210359116 /nfs/dbraw/zinc/35/91/16/210359116.db2.gz HHNVUPPKPJDIPA-SUMWQHHRSA-N -1 0 377.466 1.098 50 0 GDAARM COC(=O)c1nnsc1[N-]S(=O)(=O)c1ccc(Br)cc1 ZINC000020726135 210357520 /nfs/dbraw/zinc/35/75/20/210357520.db2.gz XIJZKHMGYUUGFF-UHFFFAOYSA-N -1 0 378.229 1.888 50 0 GDAARM Cc1cc(N2CCn3nc(C(=O)NCCO)cc3C2)nc(-c2ccccc2[O-])n1 ZINC000065371565 136163657 /nfs/dbraw/zinc/16/36/57/136163657.db2.gz HNZKXSKIBFRFFR-UHFFFAOYSA-N -1 0 394.435 1.096 50 0 GDAARM CC(C)(C(=O)[O-])c1cnc(N2CC(c3cccnc3)C2)nc1N1CCOCC1 ZINC000096165617 136184842 /nfs/dbraw/zinc/18/48/42/136184842.db2.gz CUXXYVFJKKHYNZ-UHFFFAOYSA-N -1 0 383.452 1.674 50 0 GDAARM CN(C)c1nc(N2CCOCC2)ncc1[N-]S(=O)(=O)c1ccccc1Cl ZINC000206734835 136199323 /nfs/dbraw/zinc/19/93/23/136199323.db2.gz YKPOLCQRDZJLBG-UHFFFAOYSA-N -1 0 397.888 1.833 50 0 GDAARM CCc1c(C(=O)N2CCO[C@H](CC(=O)[O-])C2)nnn1-c1cccc(Cl)c1 ZINC000268937788 523687026 /nfs/dbraw/zinc/68/70/26/523687026.db2.gz CWKLXXYLKVGVLM-CYBMUJFWSA-N -1 0 378.816 1.799 50 0 GDAARM CN1C(=O)C[C@H](C(=O)N2CCO[C@H](CC(=O)[O-])C2)[C@H]1c1cccc(Cl)c1 ZINC000269049505 523706307 /nfs/dbraw/zinc/70/63/07/523706307.db2.gz UPHAJKZAKIPYDJ-JKIFEVAISA-N -1 0 380.828 1.562 50 0 GDAARM COc1ccc(Cl)cc1N1C[C@H](C(=O)N2CCO[C@@H](CC(=O)[O-])C2)CC1=O ZINC000268941324 524219099 /nfs/dbraw/zinc/21/90/99/524219099.db2.gz FDGCQORAGXYMAP-YPMHNXCESA-N -1 0 396.827 1.404 50 0 GDAARM CCCCNC(=O)CN1CCN(c2ccc(NC(C)=O)c(C(=O)[O-])c2)CC1 ZINC000064590017 535282441 /nfs/dbraw/zinc/28/24/41/535282441.db2.gz UTIHVYWNGFIONX-UHFFFAOYSA-N -1 0 376.457 1.382 50 0 GDAARM CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N1CCC[C@@H]1C(=O)[O-] ZINC000003814199 560189698 /nfs/dbraw/zinc/18/96/98/560189698.db2.gz GBXSMTUPTTWBMN-BHYGNILZSA-N -1 0 376.453 1.605 50 0 in-vitro GDAARM COc1cccc([N-]S(=O)(=O)c2c(C)nn([C@@H]3CCS(=O)(=O)C3)c2C)c1 ZINC000012235959 570276586 /nfs/dbraw/zinc/27/65/86/570276586.db2.gz XWDUGUPTSIWKAS-CQSZACIVSA-N -1 0 399.494 1.669 50 0 GDAARM COc1ccc(/C=C(\NC(=O)c2ccc(OC)cc2)C(=O)NCC(=O)[O-])cc1 ZINC000002998189 570324831 /nfs/dbraw/zinc/32/48/31/570324831.db2.gz YGMQFMAFLICQGR-BOPFTXTBSA-N -1 0 384.388 1.676 50 0 biogenic GDAARM COc1ccccc1Cc1nnc(CCC(=O)NCCc2ccccn2)c(=O)[n-]1 ZINC000034768299 570333512 /nfs/dbraw/zinc/33/35/12/570333512.db2.gz DZBZXUYNSAKQOW-UHFFFAOYSA-N -1 0 393.447 1.863 50 0 GDAARM Cc1cc(=O)n2[n-]c(N3CCN(C(=O)c4c[nH]c5ccccc45)CC3)nc2n1 ZINC000390827028 570357650 /nfs/dbraw/zinc/35/76/50/570357650.db2.gz DOMJFHBFXFQTSU-UHFFFAOYSA-N -1 0 377.408 1.170 50 0 GDAARM 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COc1ccc(NCc2nc(=O)c3sccc3[n-]2)cc1S(=O)(=O)N(C)C ZINC000012558494 570860447 /nfs/dbraw/zinc/86/04/47/570860447.db2.gz GBTHUFNDAQSVMY-UHFFFAOYSA-N -1 0 394.478 1.856 50 0 GDAARM C[C@H](Sc1nc2c(c(=O)n(C)c(=O)n2C)n1CCc1ccccc1)C(=O)[O-] ZINC000103159417 570879713 /nfs/dbraw/zinc/87/97/13/570879713.db2.gz NOZBNHIDXGYGNO-NSHDSACASA-N -1 0 388.449 1.242 50 0 GDAARM O=C(Nc1cccc(N2CCCC2=O)c1)c1ccc(-n2[nH]c(=O)[n-]c2=O)cc1 ZINC000032915814 570926839 /nfs/dbraw/zinc/92/68/39/570926839.db2.gz TUHNTTWMTYQTAL-UHFFFAOYSA-N -1 0 379.376 1.233 50 0 GDAARM Cc1c2ccc(O)cc2oc(=O)c1CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)[O-] ZINC000002152659 570973013 /nfs/dbraw/zinc/97/30/13/570973013.db2.gz ZCGYWIGWALNFPL-KRWDZBQOSA-N -1 0 397.383 1.867 50 0 biogenic GDAARM CC(C)[C@@H](NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)C(=O)[O-] ZINC000096781633 597184357 /nfs/dbraw/zinc/18/43/57/597184357.db2.gz NVRXRJHRMXPAGC-SWLSCSKDSA-N -1 0 386.445 1.452 50 0 GDAARM C[C@H](NC(=O)N1CCO[C@@H](C(=O)[O-])C1)[C@H](OC1CCOCC1)c1ccccc1 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O=C([O-])c1cn(CCc2ccccc2)nc1S(=O)(=O)N1CCSCC1 ZINC000049411659 530673936 /nfs/dbraw/zinc/67/39/36/530673936.db2.gz OXBUFQKBKVAQPQ-UHFFFAOYSA-N -1 0 381.479 1.562 50 0 GDAARM O=C([O-])[C@@H]1CCN(C(=O)[C@@H]2CCN(c3cccc(Br)c3)C2=O)C1 ZINC000178274231 530718583 /nfs/dbraw/zinc/71/85/83/530718583.db2.gz WWQQXXDVNFXGSN-MFKMUULPSA-N -1 0 381.226 1.735 50 0 GDAARM Cc1cc(S(=O)(=O)[N-]c2ncn(CC(=O)N(C)C)n2)c(Cl)cc1F ZINC000225473595 531031036 /nfs/dbraw/zinc/03/10/36/531031036.db2.gz NKGCLSSETYRESR-UHFFFAOYSA-N -1 0 375.813 1.268 50 0 GDAARM C[C@H](CNS(=O)(=O)c1cc(C(=O)[O-])n(C)c1)N1CCc2sccc2C1 ZINC000237602384 531048900 /nfs/dbraw/zinc/04/89/00/531048900.db2.gz PQZGCEFVHWEYEU-LLVKDONJSA-N -1 0 383.495 1.510 50 0 GDAARM Cn1cc(S(=O)(=O)NC[C@H](c2cccs2)N2CCCC2)cc1C(=O)[O-] ZINC000237705651 531049441 /nfs/dbraw/zinc/04/94/41/531049441.db2.gz SURUMLCEJSDFML-CQSZACIVSA-N -1 0 383.495 1.900 50 0 GDAARM O=C([N-]S(=O)(=O)CCC(F)(F)F)[C@@H]1CCCN(C(=O)N2CCCC2)C1 ZINC000252492248 531091570 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GDAARM O=C([O-])[C@@H]1c2ccccc2CCN1C(=O)Cn1cc(Br)ccc1=O ZINC000324748751 532074569 /nfs/dbraw/zinc/07/45/69/532074569.db2.gz PNKDLKBMGIVGDT-INIZCTEOSA-N -1 0 391.221 1.821 50 0 GDAARM O=C(CCN1C(=O)[C@@H]2Cc3ccccc3CN2C1=O)NC1(C(=O)[O-])CCCCC1 ZINC000005450889 209596266 /nfs/dbraw/zinc/59/62/66/209596266.db2.gz UOOJTHWJKZKZPH-INIZCTEOSA-N -1 0 399.447 1.669 50 0 GDAARM O=C([O-])CNC(=O)c1cccc(N2C(=O)[C@@H]3Cc4ccccc4CN3C2=O)c1 ZINC000005423117 209594792 /nfs/dbraw/zinc/59/47/92/209594792.db2.gz XUUHZYYMKBCPID-INIZCTEOSA-N -1 0 379.372 1.395 50 0 GDAARM CC(=O)N/C(=C\c1ccc2c(c1)OCO2)C(=O)N[C@@H](C(=O)[O-])c1ccccc1 ZINC000004834551 209530672 /nfs/dbraw/zinc/53/06/72/209530672.db2.gz XFYLJPMMWSHVCH-IDGGIGOKSA-N -1 0 382.372 1.834 50 0 GDAARM CCn1cc([N-]S(=O)(=O)c2ccc(Br)s2)c(C(N)=O)n1 ZINC000002780386 209384136 /nfs/dbraw/zinc/38/41/36/209384136.db2.gz YHDPKGOVBUZQEC-UHFFFAOYSA-N -1 0 379.261 1.627 50 0 GDAARM CCn1cc([N-]S(=O)(=O)c2c(C)nn(C(F)F)c2C)c(C(=O)NC)n1 ZINC000002804616 209387619 /nfs/dbraw/zinc/38/76/19/209387619.db2.gz QITTXHGWCPGFFG-UHFFFAOYSA-N -1 0 376.389 1.272 50 0 GDAARM CSCC[C@@H](NC(=O)Cn1cc(-c2ccc(Cl)cc2)ncc1=O)C(=O)[O-] ZINC000252510934 211986269 /nfs/dbraw/zinc/98/62/69/211986269.db2.gz ZRSGDBXOOFJCPZ-CYBMUJFWSA-N -1 0 395.868 1.886 50 0 GDAARM COc1cncc(O[C@@H]2CCN(S(=O)(=O)c3ccc(F)c(C(=O)[O-])c3)C2)n1 ZINC000225397743 211894895 /nfs/dbraw/zinc/89/48/95/211894895.db2.gz YPTNXCLROZZOJJ-SNVBAGLBSA-N -1 0 397.384 1.165 50 0 GDAARM COc1cc([N-]S(=O)(=O)CC2CCS(=O)(=O)CC2)c(OC)cc1Cl ZINC000328589810 209143029 /nfs/dbraw/zinc/14/30/29/209143029.db2.gz HSFDJPJGLDPASA-UHFFFAOYSA-N -1 0 397.902 1.924 50 0 GDAARM Cc1cc(NC(=O)COC(=O)c2ccc(NC(=O)CCC(=O)[O-])cc2)no1 ZINC000013579060 211700600 /nfs/dbraw/zinc/70/06/00/211700600.db2.gz UZMOTQCHIDWFRQ-UHFFFAOYSA-N -1 0 375.337 1.582 50 0 GDAARM COCCN(C)S(=O)(=O)c1cccc(S(=O)(=O)[N-]c2ccncc2)c1 ZINC000097102031 211357441 /nfs/dbraw/zinc/35/74/41/211357441.db2.gz RIUBWIOCJCNEFG-UHFFFAOYSA-N -1 0 385.467 1.149 50 0 GDAARM COCC(=O)N1CCC(C(=O)N[C@@H](CC(=O)[O-])c2cccc(Cl)c2)CC1 ZINC000095512782 211262335 /nfs/dbraw/zinc/26/23/35/211262335.db2.gz NDFYBGOCJOEODG-HNNXBMFYSA-N -1 0 382.844 1.857 50 0 GDAARM C[C@H](CN(C)C(=O)CCc1ccc(S(=O)(=O)N2CCCC2)cc1)C(=O)[O-] ZINC000095425215 211239487 /nfs/dbraw/zinc/23/94/87/211239487.db2.gz HXUIVIWRSKTWRT-CQSZACIVSA-N -1 0 382.482 1.583 50 0 GDAARM O=C(c1coc(COc2ccc3c(c2)OCO3)n1)N1CCC(c2nnn[n-]2)CC1 ZINC000067678491 211015917 /nfs/dbraw/zinc/01/59/17/211015917.db2.gz PYPDUYCFJATJLV-UHFFFAOYSA-N -1 0 398.379 1.515 50 0 GDAARM C[C@H](C(=O)N1Cc2ccccc2C[C@@H]1C(=O)[O-])n1c(=O)[nH]c2ccccc2c1=O ZINC000025108555 210476655 /nfs/dbraw/zinc/47/66/55/210476655.db2.gz KEJLIXOIQLDOLK-SJKOYZFVSA-N -1 0 393.399 1.289 50 0 GDAARM CCC(NCCCn1ccnc1)=C1C(=O)[N-]C(=O)N(c2ccc(OC)cc2)C1=O ZINC000020332684 210329573 /nfs/dbraw/zinc/32/95/73/210329573.db2.gz MKHJHNKECNQLIP-WUKNDPDISA-N -1 0 397.435 1.819 50 0 GDAARM CN1C(=O)C[C@H](C(=O)NCCc2ccc(OCC(=O)[O-])cc2)c2ccccc21 ZINC000299748590 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/nfs/dbraw/zinc/07/67/85/210076785.db2.gz NEPOSFIAYLPVQV-AWEZNQCLSA-N -1 0 386.452 1.818 50 0 GDAARM CNS(=O)(=O)c1ccc(CCC(=O)NCc2ccc(C(=O)[O-])cc2)cc1 ZINC000013317161 210057327 /nfs/dbraw/zinc/05/73/27/210057327.db2.gz KIRBDEYJYZZPSW-UHFFFAOYSA-N -1 0 376.434 1.542 50 0 GDAARM CCNS(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccc(C(=O)OC)cc2)cc1 ZINC000012816231 210014292 /nfs/dbraw/zinc/01/42/92/210014292.db2.gz MEETVZZHLLZZIN-UHFFFAOYSA-N -1 0 398.462 1.572 50 0 GDAARM C[C@@H](O)[C@H](NC(=O)c1cccc(S(=O)(=O)N(C)C2CCCCC2)c1)C(=O)[O-] ZINC000012758854 210003280 /nfs/dbraw/zinc/00/32/80/210003280.db2.gz ZNYBBFSCYGWCGR-WBMJQRKESA-N -1 0 398.481 1.204 50 0 GDAARM Cc1ccc(C(=O)[O-])cc1S(=O)(=O)N1C[C@H](C(N)=O)Oc2ccccc21 ZINC000012738309 209999447 /nfs/dbraw/zinc/99/94/47/209999447.db2.gz JGAPFLWUAVATDF-CQSZACIVSA-N -1 0 376.390 1.135 50 0 GDAARM O=C([N-]S(=O)(=O)C[C@H]1CCOC1)c1cnc(Cc2ccc(F)cc2)s1 ZINC000157894029 531207511 /nfs/dbraw/zinc/20/75/11/531207511.db2.gz TYKSXKFOKGQUAA-LBPRGKRZSA-N -1 0 384.454 1.969 50 0 GDAARM CS(=O)(=O)[N-]c1nnc(NC(=O)c2ccc(O[C@H]3CC3(F)F)cc2)s1 ZINC000528124593 531342109 /nfs/dbraw/zinc/34/21/09/531342109.db2.gz BFLCFUAIRLFECV-VIFPVBQESA-N -1 0 390.393 1.948 50 0 GDAARM O=C([O-])[C@@H]1COCCN1C(=O)[C@@H]1CC(=O)N(c2ccccc2Br)C1 ZINC000268970182 531593498 /nfs/dbraw/zinc/59/34/98/531593498.db2.gz GIFKDUMUUWBZON-MFKMUULPSA-N -1 0 397.225 1.114 50 0 GDAARM CN(C)S(=O)(=O)c1ccc(C(=O)N[C@H](Cc2ccccc2)C(=O)[O-])cc1 ZINC000008374312 209778500 /nfs/dbraw/zinc/77/85/00/209778500.db2.gz UYQSIJGMWZFZQI-MRXNPFEDSA-N -1 0 376.434 1.363 50 0 GDAARM COc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@H](C(=O)[O-])C(C)C)CC2)cc1 ZINC000006759506 209681092 /nfs/dbraw/zinc/68/10/92/209681092.db2.gz RNBILCHNWSTHAY-INIZCTEOSA-N -1 0 398.481 1.321 50 0 GDAARM O=C(Cn1[nH][n-]c2c(=O)n(-c3ccc(F)cc3)c(=O)c1=2)Nc1cccc(F)c1 ZINC000004969746 209551075 /nfs/dbraw/zinc/55/10/75/209551075.db2.gz RMEGTBTVZPVHOY-HZPDHXFCSA-N -1 0 385.330 1.897 50 0 GDAARM CC(=O)N1CCc2cc(S(=O)(=O)N[C@H](Cc3ccccc3)C(=O)[O-])ccc21 ZINC000002928252 209398540 /nfs/dbraw/zinc/39/85/40/209398540.db2.gz XEFHDPJPNKMCQQ-QGZVFWFLSA-N -1 0 388.445 1.570 50 0 GDAARM CCOc1cc(/C=C2/NC(=O)[N-]C2=O)cc(I)c1OC ZINC000001139553 209305406 /nfs/dbraw/zinc/30/54/06/209305406.db2.gz DLNNKBBVQCYTAE-WEVVVXLNSA-N -1 0 388.161 1.879 50 0 GDAARM COc1ccc(S(=O)(=O)N2Cc3ccccc3C[C@@H]2C(=O)[O-])cc1OC ZINC000000804403 209266676 /nfs/dbraw/zinc/26/66/76/209266676.db2.gz DSSBZDRSBRHOPJ-OAHLLOKOSA-N -1 0 377.418 1.904 50 0 GDAARM COc1ccc(OCC(=O)Nc2ccc(S(=O)(=O)[N-]C(C)=O)cc2)cc1 ZINC000000674777 209257838 /nfs/dbraw/zinc/25/78/38/209257838.db2.gz KLDATTRRXASKHO-UHFFFAOYSA-N -1 0 378.406 1.538 50 0 GDAARM COC(=O)C[C@@H](c1ccc(O)c(OC)c1)c1c(O)cc(C)n(CC(=O)[O-])c1=O ZINC000218046172 209185381 /nfs/dbraw/zinc/18/53/81/209185381.db2.gz VTAMUOAUEAEYOK-LBPRGKRZSA-N -1 0 391.376 1.356 50 0 biogenic GDAARM COC(=O)C[C@@H](c1ccc(OCC(=O)[O-])c(OC)c1)c1oc(C)cc(=O)c1O ZINC000096115226 211965682 /nfs/dbraw/zinc/96/56/82/211965682.db2.gz HQBLWEZWLSOZAE-LBPRGKRZSA-N -1 0 392.360 1.821 50 0 biogenic GDAARM O=C(NCC1CC1)c1ccccc1[N-]S(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000027466210 211853304 /nfs/dbraw/zinc/85/33/04/211853304.db2.gz UVTUMYYRARLHSI-UHFFFAOYSA-N -1 0 386.433 1.797 50 0 GDAARM CCN1C[C@H](C(=O)N[C@@H](CC(=O)[O-])c2ccc(Br)cc2)CC1=O ZINC000236913105 211434258 /nfs/dbraw/zinc/43/42/58/211434258.db2.gz LAPASBHLINLXPK-YPMHNXCESA-N -1 0 383.242 1.950 50 0 GDAARM COc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4ccc(F)cc4)c=3c2=O)cc1 ZINC000101174375 211396835 /nfs/dbraw/zinc/39/68/35/211396835.db2.gz XTTZVFVWAKYSEO-DLBZAZTESA-N -1 0 397.366 1.766 50 0 GDAARM COC(=O)c1[n-]n(-c2ccccc2C)c2c(O)n(-c3ccccc3OC)c(=O)c1-2 ZINC000100932762 211393443 /nfs/dbraw/zinc/39/34/43/211393443.db2.gz LCTATXQGCXSOOD-AEFFLSMTSA-N -1 0 393.399 1.911 50 0 GDAARM CCc1ccc(-n2c(O)c3n(C(C)(C)CC(C)=O)[n-]c(C(=O)OC)c-3c2=O)cc1 ZINC000100191754 211384919 /nfs/dbraw/zinc/38/49/19/211384919.db2.gz JMZOTPWGACIOHV-WBVHZDCISA-N -1 0 399.447 1.709 50 0 GDAARM COc1ccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4ccc(C)cc4)c(=O)c2=3)cc1 ZINC000100033030 211382424 /nfs/dbraw/zinc/38/24/24/211382424.db2.gz KUAIUTGVYVQQFX-ROUUACIJSA-N -1 0 393.403 1.936 50 0 GDAARM COc1ccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4ccccc4)c(=O)c2=3)cc1 ZINC000100033346 211381444 /nfs/dbraw/zinc/38/14/44/211381444.db2.gz TXWWMMXMZVDCPB-IRXDYDNUSA-N -1 0 379.376 1.627 50 0 GDAARM CCOC(=O)N=c1[n-]nc(S(=O)(=O)C(C)C(=O)NC2CCCC2)s1 ZINC000097164781 211360335 /nfs/dbraw/zinc/36/03/35/211360335.db2.gz GYLFJIFDEBACEB-QMMMGPOBSA-N -1 0 376.460 1.328 50 0 GDAARM CCN1CCN(C(=O)c2snc3c2nc([O-])n(Cc2ccccc2)c3=O)CC1 ZINC000096396739 211339492 /nfs/dbraw/zinc/33/94/92/211339492.db2.gz LVFIFGBGCCFOCE-UHFFFAOYSA-N -1 0 399.476 1.385 50 0 GDAARM CCNc1ncc(C(=O)N2C[C@H]3COc4ccccc4C[C@@]3(C(=O)[O-])C2)cn1 ZINC000096135971 211305950 /nfs/dbraw/zinc/30/59/50/211305950.db2.gz HEZTXAWPFIENNP-MGPUTAFESA-N -1 0 382.420 1.687 50 0 GDAARM COCCCNS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2ccncc2)cc1 ZINC000095944818 211284765 /nfs/dbraw/zinc/28/47/65/211284765.db2.gz QEYIOFFLCKJZKY-UHFFFAOYSA-N -1 0 385.467 1.197 50 0 GDAARM O=C([O-])[C@@]12CCC(=O)N1c1cc(F)ccc1-c1nc(=O)c(-c3ccccc3)nn12 ZINC000095944216 211284447 /nfs/dbraw/zinc/28/44/47/211284447.db2.gz ICFKEMBVBLOYOJ-FQEVSTJZSA-N -1 0 392.346 1.989 50 0 GDAARM Cc1nc(CCNC(=O)[C@@H]2CC(=O)N(Cc3ccccn3)C2)sc1C(=O)[O-] ZINC000095520761 211267911 /nfs/dbraw/zinc/26/79/11/211267911.db2.gz QNYQFJBNPNCMGS-GFCCVEGCSA-N -1 0 388.449 1.252 50 0 GDAARM O=C([O-])c1cccc(CNC(=O)[C@H]2CCCN2S(=O)(=O)c2ccccc2)c1 ZINC000095425094 211239271 /nfs/dbraw/zinc/23/92/71/211239271.db2.gz BUEMUHHJVUCANB-QGZVFWFLSA-N -1 0 388.445 1.854 50 0 GDAARM CN1C(=O)C[C@H](C(=O)[O-])C12CCN(C(=O)Cc1ccc(F)cc1Cl)CC2 ZINC000095385075 211234964 /nfs/dbraw/zinc/23/49/64/211234964.db2.gz DESIUYGKEKJOMS-CYBMUJFWSA-N -1 0 382.819 1.946 50 0 GDAARM CN1C(=O)C[C@@H](C(=O)[O-])C12CCN(C(=O)c1cccc(-c3ncc[nH]3)c1)CC2 ZINC000095354840 211220963 /nfs/dbraw/zinc/22/09/63/211220963.db2.gz FKSWMQMKCKIYNA-HNNXBMFYSA-N -1 0 382.420 1.614 50 0 GDAARM COc1cccc([C@@H]2CN(C(=O)Cc3nonc3C)C[C@H]2C(=O)[O-])c1OC ZINC000091656806 211200544 /nfs/dbraw/zinc/20/05/44/211200544.db2.gz UWQSBFROAVTREK-QWHCGFSZSA-N -1 0 375.381 1.265 50 0 GDAARM Cc1c(S(=O)(=O)[N-]c2cccc(NC(=O)CO)c2)cnn1-c1ccccn1 ZINC000078902707 211148673 /nfs/dbraw/zinc/14/86/73/211148673.db2.gz NGFGGHNGYYUUNX-UHFFFAOYSA-N -1 0 387.421 1.307 50 0 GDAARM COc1cc(C(=O)[O-])cc(C(=O)N2CCC3(C[C@@H](C(=O)[O-])[N@H+](C)C3)CC2)c1 ZINC000072171710 211082157 /nfs/dbraw/zinc/08/21/57/211082157.db2.gz JFIORZXAEAQAGA-HNNXBMFYSA-N -1 0 376.409 1.405 50 0 GDAARM COc1ccccc1N1CCN([C@@H]2CCCN(C(=O)c3cc(=O)[nH][n-]3)C2)CC1 ZINC000072143312 211076340 /nfs/dbraw/zinc/07/63/40/211076340.db2.gz FREIHCQXVOJFMY-OAHLLOKOSA-N -1 0 385.468 1.551 50 0 GDAARM CN1CCN(S(=O)(=O)c2cc(C(=O)[O-])cc(-c3cccc(O)c3)c2)CC1 ZINC000071761001 211057611 /nfs/dbraw/zinc/05/76/11/211057611.db2.gz DUQNUMUOLTXAKH-UHFFFAOYSA-N -1 0 376.434 1.694 50 0 GDAARM CC[C@@H](C)[C@@H](NC(=O)Cn1nc(-c2ccc(F)cc2OC)ccc1=O)C(=O)[O-] ZINC000071334544 211047747 /nfs/dbraw/zinc/04/77/47/211047747.db2.gz IZACDIYRKDMMCB-ADLMAVQZSA-N -1 0 391.399 1.674 50 0 GDAARM O=C([O-])c1ccc(-c2noc(CN3CCC(O)(Cn4ccnc4)CC3)n2)cc1 ZINC000067727372 211020128 /nfs/dbraw/zinc/02/01/28/211020128.db2.gz SMXMJGOIDAXMRL-UHFFFAOYSA-N -1 0 383.408 1.658 50 0 GDAARM COc1ccc(OCc2cc(C(=O)N[C@@H](C)c3nnn[n-]3)[nH]n2)c(Cl)c1 ZINC000067674815 211015572 /nfs/dbraw/zinc/01/55/72/211015572.db2.gz AVOKAUWQXBCYPD-QMMMGPOBSA-N -1 0 377.792 1.655 50 0 GDAARM COc1ccc(Cn2nc(C(=O)[O-])c3c2CCN(C(=O)[C@@H]2CCOC2)C3)cc1 ZINC000067540035 211011646 /nfs/dbraw/zinc/01/16/46/211011646.db2.gz SJARIGOXYMXBRQ-CQSZACIVSA-N -1 0 385.420 1.559 50 0 GDAARM O=C([O-])c1cn(Cc2ccccn2)nc1S(=O)(=O)N1CCc2ccccc2C1 ZINC000049411647 210863972 /nfs/dbraw/zinc/86/39/72/210863972.db2.gz VGBGVYCNTPTHBF-UHFFFAOYSA-N -1 0 398.444 1.772 50 0 GDAARM O=C([O-])[C@@H]1CCN(C(=O)Cc2ccc(S(=O)(=O)CC(F)(F)F)cc2)C1 ZINC000299742156 210826379 /nfs/dbraw/zinc/82/63/79/210826379.db2.gz HZNWRXNDUVPBPW-LLVKDONJSA-N -1 0 379.356 1.498 50 0 GDAARM CCCNC(=O)CN1CCN(c2ccc(C(=O)[O-])cc2NC(=O)CC)CC1 ZINC000021882315 210397555 /nfs/dbraw/zinc/39/75/55/210397555.db2.gz WTYAAFJIULMENV-UHFFFAOYSA-N -1 0 376.457 1.382 50 0 GDAARM CCOC(=O)c1cnn(-c2ccccc2)c1NC(=O)c1c(C(=O)[O-])cnn1C ZINC000020616460 210353271 /nfs/dbraw/zinc/35/32/71/210353271.db2.gz IBJDQYPUELJUJM-UHFFFAOYSA-N -1 0 383.364 1.733 50 0 GDAARM CC(NCCCN1CCOCC1)=C1C(=O)[N-]C(=O)N(c2ccc(C)cc2)C1=O ZINC000020330903 210329768 /nfs/dbraw/zinc/32/97/68/210329768.db2.gz KOCUJTMDPXFMHL-BMRADRMJSA-N -1 0 386.452 1.164 50 0 GDAARM O=C([O-])c1nccnc1C(=O)Nc1cccc(N2CCCCS2(=O)=O)c1 ZINC000071279739 136165424 /nfs/dbraw/zinc/16/54/24/136165424.db2.gz KRIWLBBRQPIRBN-UHFFFAOYSA-N -1 0 376.394 1.357 50 0 GDAARM O=S(=O)([N-]c1cnc(N2CCN(c3ccccn3)CC2)nc1)c1ccccc1 ZINC000090584173 136175890 /nfs/dbraw/zinc/17/58/90/136175890.db2.gz FDVGOVJEJUEUSM-UHFFFAOYSA-N -1 0 396.476 1.999 50 0 GDAARM O=C([O-])c1ccc(-n2nnnc2Oc2ccccc2C(=O)N2CCOCC2)cc1 ZINC000001279410 570260182 /nfs/dbraw/zinc/26/01/82/570260182.db2.gz OQIDETUZZNAAHN-UHFFFAOYSA-N -1 0 395.375 1.625 50 0 GDAARM O=C1N[C@H](c2cccc(O)c2)C(=C([O-])c2cccnc2)[C@@](O)(C(F)(F)F)N1 ZINC000011859295 570297519 /nfs/dbraw/zinc/29/75/19/570297519.db2.gz IKZIMWGLKBWNBI-WOSRLPQWSA-N -1 0 381.310 1.891 50 0 GDAARM COc1ccc2c(C)c(CC(=O)N[C@H](CCSC)C(=O)[O-])c(=O)oc2c1 ZINC000006418393 570405798 /nfs/dbraw/zinc/40/57/98/570405798.db2.gz OGNOEUXTPGRCMP-CQSZACIVSA-N -1 0 379.434 1.975 50 0 GDAARM Cc1nn(C)cc1C(=O)Nc1ccc(S(=O)(=O)[N-]c2nccc(C)n2)cc1 ZINC000011932251 570449659 /nfs/dbraw/zinc/44/96/59/570449659.db2.gz NGAAIEUCJHVTKZ-UHFFFAOYSA-N -1 0 386.437 1.880 50 0 GDAARM O=C([O-])[C@@H]1CCCN(C(=O)[C@H]2CCCN(C(=O)Cc3ccc(F)cc3)C2)C1 ZINC000136115450 570472060 /nfs/dbraw/zinc/47/20/60/570472060.db2.gz HHAXQHYEHUKTFH-JKSUJKDBSA-N -1 0 376.428 1.930 50 0 GDAARM Cn1ncc2c1[n-]cc(C(=O)NCC1(CN3CCOCC3)CCCCC1)c2=O ZINC000179540879 570545140 /nfs/dbraw/zinc/54/51/40/570545140.db2.gz HWTAEVBAYINEQP-UHFFFAOYSA-N -1 0 387.484 1.686 50 0 GDAARM CC(=O)N1CC[NH+]([C@@H](C(=O)[O-])c2cn(CC(=O)[O-])c3cc(Cl)ccc23)CC1 ZINC000036354699 570636096 /nfs/dbraw/zinc/63/60/96/570636096.db2.gz OZKSKHRDZLDCOH-QGZVFWFLSA-N -1 0 393.827 1.669 50 0 GDAARM CN1CC[NH+]([C@H](C(=O)[O-])c2c[nH]c3cc(NC(=O)CCC(=O)[O-])ccc32)CC1 ZINC000036357186 570637428 /nfs/dbraw/zinc/63/74/28/570637428.db2.gz XKHZRUZYSDJTSL-SFHVURJKSA-N -1 0 388.424 1.344 50 0 GDAARM COCCS(=O)(=O)c1ccc(C(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)cc1 ZINC000262373609 570667768 /nfs/dbraw/zinc/66/77/68/570667768.db2.gz KINMHSFDRSRZAJ-XIRDDKMYSA-N -1 0 395.477 1.965 50 0 GDAARM O=C([O-])[C@@H]1COCCN1C(=O)Cn1c(COc2ccccc2)nc2ccccc21 ZINC000262459064 570674567 /nfs/dbraw/zinc/67/45/67/570674567.db2.gz IFRZOVZIXOCUPN-SFHVURJKSA-N -1 0 395.415 1.927 50 0 GDAARM CCOCCn1c(=O)n([C@H](CC)C(=O)NC(C)(C)C)c2cc(C(=O)[O-])cnc21 ZINC000055100038 570683047 /nfs/dbraw/zinc/68/30/47/570683047.db2.gz LHHOQUBKYDLLTD-CYBMUJFWSA-N -1 0 392.456 1.799 50 0 GDAARM Cc1cc(=O)n2nc(SCC(=O)N(C)Cc3noc(CC(C)C)n3)[n-]c2n1 ZINC000055225267 570688055 /nfs/dbraw/zinc/68/80/55/570688055.db2.gz JJCHTOPJKQLMPM-UHFFFAOYSA-N -1 0 391.457 1.471 50 0 GDAARM O=C([O-])[C@H]1CN(C(=O)c2cccc(CS(=O)(=O)c3ccccc3)c2)CCO1 ZINC000262969490 570701530 /nfs/dbraw/zinc/70/15/30/570701530.db2.gz LJYJBSQTROLKHA-QGZVFWFLSA-N -1 0 389.429 1.586 50 0 GDAARM Cc1cc(C)n(-c2ccc(NC(=O)c3c[nH]c4nc(=O)[n-]c(=O)c-4c3)cn2)n1 ZINC000052645153 570757104 /nfs/dbraw/zinc/75/71/04/570757104.db2.gz TUWKHFYBWBXNOD-UHFFFAOYSA-N -1 0 377.364 1.474 50 0 GDAARM Cc1nc(-c2cccc(S(=O)(=O)N3CCn4nc(C(=O)[O-])cc4C3)c2)no1 ZINC000065371588 570761521 /nfs/dbraw/zinc/76/15/21/570761521.db2.gz OPNIEDAHMBSFRB-UHFFFAOYSA-N -1 0 389.393 1.144 50 0 GDAARM COc1ccc([C@H](c2sc3ncnn3c2[O-])N2CCN(C)CC2)cc1OC ZINC000022031184 570778167 /nfs/dbraw/zinc/77/81/67/570778167.db2.gz KBMRXXPQAIOYTQ-OAHLLOKOSA-N -1 0 389.481 1.850 50 0 GDAARM COc1ccc([C@H](c2sc3ncnn3c2[O-])N2CCN(CCO)CC2)cc1 ZINC000022031214 570778485 /nfs/dbraw/zinc/77/84/85/570778485.db2.gz OMUMFJKDKVQVMG-OAHLLOKOSA-N -1 0 389.481 1.204 50 0 GDAARM C[C@H](C(=O)N1CCc2c(c(C(=O)[O-])nn2CCO)C1)n1cnc2ccccc21 ZINC000067562243 570782002 /nfs/dbraw/zinc/78/20/02/570782002.db2.gz WITXXLJWMHCHGX-GFCCVEGCSA-N -1 0 383.408 1.069 50 0 GDAARM CCCn1c(CCC(=O)[O-])nc2cc(S(=O)(=O)N3CCOCC3)ccc21 ZINC000169615943 570783539 /nfs/dbraw/zinc/78/35/39/570783539.db2.gz NINIYUPEDPJWOS-UHFFFAOYSA-N -1 0 381.454 1.484 50 0 GDAARM Cc1nc2[n-]c(N3C(=O)[C@H]4CC=CC[C@@H]4C3=O)nn2c(=O)c1Cc1ccccc1 ZINC000101402029 570820934 /nfs/dbraw/zinc/82/09/34/570820934.db2.gz QHGWEKGEIIRFKN-GJZGRUSLSA-N -1 0 389.415 1.772 50 0 GDAARM COC(=O)c1ccc(S(=O)(=O)[N-]c2cccc(S(=O)(=O)N(C)C)c2)cc1 ZINC000007323368 570829672 /nfs/dbraw/zinc/82/96/72/570829672.db2.gz QQDLOBVQQKAJTD-UHFFFAOYSA-N -1 0 398.462 1.524 50 0 GDAARM CCn1cc([C@@H]2CC(c3c(=O)[nH]c(=O)n(C)c3[O-])=NN2C(C)=O)c2ccccc21 ZINC000101766036 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/nfs/dbraw/zinc/88/69/50/570886950.db2.gz VTKNAPOOLLFZFW-UHFFFAOYSA-N -1 0 381.381 1.669 50 0 GDAARM COc1ccc(Cn2c(=O)[nH]c([O-])c([C@@H]3OCc4cnc(C)c(O)c43)c2=O)cc1 ZINC000002091333 570940096 /nfs/dbraw/zinc/94/00/96/570940096.db2.gz UNRHPRGHKYKQLZ-QGZVFWFLSA-N -1 0 397.387 1.328 50 0 biogenic GDAARM Cc1c2ccc(O)cc2oc(=O)c1CCC(=O)N[C@@H](CC[S@@](C)=O)C(=O)[O-] ZINC000002109807 570949778 /nfs/dbraw/zinc/94/97/78/570949778.db2.gz DWPUIEYFTQKIDV-PWFNWSNSSA-N -1 0 395.433 1.078 50 0 biogenic GDAARM O=C(Cn1[n-]c(=O)ccc1=O)N[C@@H](Cc1ccccc1)c1nc2ccccc2[nH]1 ZINC000007738176 571028514 /nfs/dbraw/zinc/02/85/14/571028514.db2.gz HPWRWWWBSGZAJV-KRWDZBQOSA-N -1 0 389.415 1.925 50 0 GDAARM CC(C)N(C)S(=O)(=O)c1cccc(C(=O)N(CC(=O)[O-])C2CCOCC2)c1 ZINC000580035794 600959586 /nfs/dbraw/zinc/95/95/86/600959586.db2.gz LYUBKLSJHNACFU-UHFFFAOYSA-N -1 0 398.481 1.421 50 0 GDAARM CCOc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC000263129782 601070531 /nfs/dbraw/zinc/07/05/31/601070531.db2.gz YALFGWMIOSDDEZ-LBPRGKRZSA-N -1 0 399.469 1.664 50 0 GDAARM COc1ccc(CN2C[C@@H](C(=O)NCc3cc(C(=O)[O-])c(C)o3)CC2=O)cc1 ZINC000299741661 962939699 /nfs/dbraw/zinc/93/96/99/962939699.db2.gz ABYCMWGQUVUISN-AWEZNQCLSA-N -1 0 386.404 1.960 50 0 GDAARM Cc1nnc(SCc2nnnn2-c2ccc(Br)cc2)[n-]c1=O ZINC000018163128 210215364 /nfs/dbraw/zinc/21/53/64/210215364.db2.gz KORWWBTUGKEOJG-UHFFFAOYSA-N -1 0 380.231 1.916 50 0 GDAARM COC(=O)c1[n-]n(-c2ccccc2OC)c2c(O)n(-c3ccc(C)cc3)c(=O)c1-2 ZINC000018066774 210213765 /nfs/dbraw/zinc/21/37/65/210213765.db2.gz FFHSXBBJMOORFA-FUHWJXTLSA-N -1 0 393.399 1.911 50 0 GDAARM CC(=O)[N-]S(=O)(=O)c1ccc(NC(=S)NC(=O)c2cccs2)cc1 ZINC000002999251 530533708 /nfs/dbraw/zinc/53/37/08/530533708.db2.gz NDRSEKXLXYPKOS-UHFFFAOYSA-N -1 0 383.476 1.700 50 0 GDAARM NS(=O)(=O)c1ccc(CCn2c(=O)c3cc(F)ccc3[n-]c2=S)cc1 ZINC000003043406 530533859 /nfs/dbraw/zinc/53/38/59/530533859.db2.gz MROMBAWHKDHYRM-UHFFFAOYSA-N -1 0 379.438 1.714 50 0 GDAARM CC(=O)Nc1ccc([N-]S(=O)(=O)c2c(C)nc3sccn3c2=O)cc1 ZINC000007363364 530545490 /nfs/dbraw/zinc/54/54/90/530545490.db2.gz FWZIWQZZLDIIKX-UHFFFAOYSA-N -1 0 378.435 1.824 50 0 GDAARM CC[C@@]1(C)NC(=O)N([N-]S(=O)(=O)c2cc(C)c(Br)s2)C1=O ZINC000170616390 530586799 /nfs/dbraw/zinc/58/67/99/530586799.db2.gz CTJBMIUJIQONQI-LLVKDONJSA-N -1 0 396.288 1.733 50 0 GDAARM CCN1C[C@@H](C(=O)N[C@@H](CC(=O)[O-])c2cccc(Br)c2)CC1=O ZINC000236909653 531040922 /nfs/dbraw/zinc/04/09/22/531040922.db2.gz VOZHJQYIXHQIQG-AAEUAGOBSA-N -1 0 383.242 1.950 50 0 GDAARM CCN1C[C@@H](C(=O)N[C@H](CC(=O)[O-])c2ccc(Br)cc2)CC1=O ZINC000236910178 531041351 /nfs/dbraw/zinc/04/13/51/531041351.db2.gz LAPASBHLINLXPK-WCQYABFASA-N -1 0 383.242 1.950 50 0 GDAARM O=c1[nH]c2ccsc2c(=O)n1CC[N-]S(=O)(=O)c1c(F)cccc1F ZINC000253534965 531091767 /nfs/dbraw/zinc/09/17/67/531091767.db2.gz OZLXXNOUEYJZHB-UHFFFAOYSA-N -1 0 387.389 1.420 50 0 GDAARM COc1cc(Br)cc(S(=O)(=O)N2CCC(C(=O)[O-])CC2)c1 ZINC000262365342 531117942 /nfs/dbraw/zinc/11/79/42/531117942.db2.gz DJKNZLRXVAISKM-UHFFFAOYSA-N -1 0 378.244 1.943 50 0 GDAARM COc1ccc(C(=O)N2CCC[C@@H](C(=O)[O-])C2)cc1S(=O)(=O)NC(C)C ZINC000013260847 210054658 /nfs/dbraw/zinc/05/46/58/210054658.db2.gz HAEHMCXJWAZYKV-CYBMUJFWSA-N -1 0 384.454 1.319 50 0 GDAARM CC(C)CCOC(=O)C[C@@H]1C(=O)NCCN1C(=O)c1ccccc1C(=O)[O-] ZINC000012137990 209912093 /nfs/dbraw/zinc/91/20/93/209912093.db2.gz VTWBGRCHAWTLIH-OAHLLOKOSA-N -1 0 376.409 1.305 50 0 GDAARM NS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2nccc(-c3ccco3)n2)cc1 ZINC000582947131 531558122 /nfs/dbraw/zinc/55/81/22/531558122.db2.gz TXWFRYPPUIRYKY-UHFFFAOYSA-N -1 0 380.407 1.185 50 0 GDAARM CCOCCNS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2cccnc2)c1 ZINC000297695496 531814176 /nfs/dbraw/zinc/81/41/76/531814176.db2.gz AMVUASHCRBPHDN-UHFFFAOYSA-N -1 0 385.467 1.197 50 0 GDAARM O=C(CSc1n[nH]c(=O)n1C[C@@H]1CCCO1)Nc1ccccc1C(=O)[O-] ZINC000007778365 209745472 /nfs/dbraw/zinc/74/54/72/209745472.db2.gz KCAHLCBHOMJIQN-JTQLQIEISA-N -1 0 378.410 1.179 50 0 GDAARM COc1cccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4ccc(C)cc4)c(=O)c2=3)c1 ZINC000006729284 209674571 /nfs/dbraw/zinc/67/45/71/209674571.db2.gz OJMFXZXMCTVSOT-ZWKOTPCHSA-N -1 0 393.403 1.936 50 0 GDAARM CCOc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)NCC(=O)OC)cc1 ZINC000006471276 209649965 /nfs/dbraw/zinc/64/99/65/209649965.db2.gz APQCCXAPXHCGSV-UHFFFAOYSA-N -1 0 392.433 1.789 50 0 GDAARM Cc1c2ccc(O)cc2oc(=O)c1CCC(=O)N[C@H](CC[S@@](C)=O)C(=O)[O-] ZINC000002109808 209347289 /nfs/dbraw/zinc/34/72/89/209347289.db2.gz DWPUIEYFTQKIDV-ASHKIFAZSA-N -1 0 395.433 1.078 50 0 biogenic GDAARM CCc1nnc([N-]S(=O)(=O)c2ccc(NC(=O)C3=COCCO3)cc2)s1 ZINC000010381898 209338830 /nfs/dbraw/zinc/33/88/30/209338830.db2.gz VDADZYZQCAAODT-UHFFFAOYSA-N -1 0 396.450 1.728 50 0 GDAARM COC(=O)C[C@H](c1ccc(C(=O)[O-])cc1)c1c(=O)[nH]cc(C(=O)OC)c1O ZINC000217993117 209183637 /nfs/dbraw/zinc/18/36/37/209183637.db2.gz GXPQDZBVMJKWOE-LLVKDONJSA-N -1 0 375.333 1.260 50 0 biogenic GDAARM CNC(=O)Cn1cnc([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)n1 ZINC000225427862 211896300 /nfs/dbraw/zinc/89/63/00/211896300.db2.gz GQEJRGOEFSXVCY-UHFFFAOYSA-N -1 0 397.766 1.497 50 0 GDAARM COC(=O)c1ccc(N2[N-]C(=O)/C(=C\c3ccc(OC)c(OC)c3)C2=O)cc1 ZINC000000666820 211487593 /nfs/dbraw/zinc/48/75/93/211487593.db2.gz ZEIGMPJYHXFANB-XNTDXEJSSA-N -1 0 382.372 1.952 50 0 GDAARM COc1ccc(-n2c(O)c3[nH][n-]c(C(=O)OCc4ccccc4)c-3c2=O)cc1 ZINC000100165682 211384007 /nfs/dbraw/zinc/38/40/07/211384007.db2.gz BZILHKWBVUWUJV-CVEARBPZSA-N -1 0 379.372 1.256 50 0 GDAARM NC(=O)c1ccc(NC(=O)c2c[nH]nc2S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000096361068 211335646 /nfs/dbraw/zinc/33/56/46/211335646.db2.gz MHXBTUGOPZUEHX-UHFFFAOYSA-N -1 0 385.405 1.562 50 0 GDAARM CS(=O)(=O)N1C[C@H]2CN(Cc3cccc(Cl)c3F)C[C@@]2(C(=O)[O-])C1 ZINC000096160776 211313361 /nfs/dbraw/zinc/31/33/61/211313361.db2.gz ILKITWUTTBQEIV-IAQYHMDHSA-N -1 0 376.837 1.257 50 0 GDAARM CCS(=O)(=O)N(C)C1CCN(C(=O)c2cccc(OCC(=O)[O-])c2)CC1 ZINC000095969730 211289575 /nfs/dbraw/zinc/28/95/75/211289575.db2.gz GZGMWSXFURBYHA-UHFFFAOYSA-N -1 0 384.454 1.036 50 0 GDAARM Cc1n[nH]c(C)c1[C@H](NC(=O)C1CCN(C(=O)C2CCCC2)CC1)C(=O)[O-] ZINC000095516629 211263561 /nfs/dbraw/zinc/26/35/61/211263561.db2.gz ZXAWSQFSXLIFQF-INIZCTEOSA-N -1 0 376.457 1.697 50 0 GDAARM COc1cccc([C@@H]2CN(C(=O)CSc3n[nH]c(C)n3)C[C@H]2C(=O)[O-])c1 ZINC000091817885 211208970 /nfs/dbraw/zinc/20/89/70/211208970.db2.gz SUCMVXFPYCFWKD-UONOGXRCSA-N -1 0 376.438 1.541 50 0 GDAARM COC(=O)c1ccc(F)cc1S(=O)(=O)[N-]c1cccc(C(=O)N(C)C)n1 ZINC000089312145 211179120 /nfs/dbraw/zinc/17/91/20/211179120.db2.gz AXIMHRQKSOHHOO-UHFFFAOYSA-N -1 0 381.385 1.510 50 0 GDAARM O=C(N[C@H]1CCCN(Cc2ccccn2)C1)c1cc(=O)n(-c2ccccc2)[n-]1 ZINC000072146846 211076610 /nfs/dbraw/zinc/07/66/10/211076610.db2.gz XHWOECMTUUDQGZ-KRWDZBQOSA-N -1 0 377.448 1.955 50 0 GDAARM O=C([O-])[C@H]1C[C@@H](C(=O)NCc2ccccn2)CN(C(=O)Cc2ccccc2)C1 ZINC000072167447 211080346 /nfs/dbraw/zinc/08/03/46/211080346.db2.gz WVJSBUDUSWENHF-SJORKVTESA-N -1 0 381.432 1.490 50 0 GDAARM CN1CCN(S(=O)(=O)c2cc(C(=O)[O-])cc(-c3cccc(CO)c3)c2)CC1 ZINC000071774926 211063045 /nfs/dbraw/zinc/06/30/45/211063045.db2.gz ZJQWBMZWZJFUJJ-UHFFFAOYSA-N -1 0 390.461 1.480 50 0 GDAARM CN1CCN(C(=O)c2ccc(NC(=O)Cc3ccccc3C(=O)[O-])cc2)CC1 ZINC000071284581 211044634 /nfs/dbraw/zinc/04/46/34/211044634.db2.gz JWYVZGHRFWZYLM-UHFFFAOYSA-N -1 0 381.432 1.954 50 0 GDAARM CC[C@@]1(C(=O)[O-])C[C@H](C(=O)NC(C)(C)C(=O)[O-])[C@H](c2ccc(OC)cc2)[N@@H+]1C ZINC000067847274 211025383 /nfs/dbraw/zinc/02/53/83/211025383.db2.gz IWHVOGIABAXSKX-AVYPCKFXSA-N -1 0 392.452 1.901 50 0 GDAARM CC(C)NC(=O)c1ccn(-c2ccc(NC(=O)c3c(C(=O)[O-])cnn3C)cc2)n1 ZINC000020616729 210354363 /nfs/dbraw/zinc/35/43/63/210354363.db2.gz DZCXUGDJNUTKHG-UHFFFAOYSA-N -1 0 396.407 1.695 50 0 GDAARM COc1ccc(C(=O)N2CCN(C(=O)N[C@H](CC(=O)[O-])C(C)C)CC2)cc1 ZINC000426488310 533301662 /nfs/dbraw/zinc/30/16/62/533301662.db2.gz SFYGDQMFUIXWSA-MRXNPFEDSA-N -1 0 377.441 1.662 50 0 GDAARM CCN1C[C@@H](C(=O)N[C@@H](CC(=O)[O-])c2ccc(Br)cc2)CC1=O ZINC000236909474 521726545 /nfs/dbraw/zinc/72/65/45/521726545.db2.gz LAPASBHLINLXPK-AAEUAGOBSA-N -1 0 383.242 1.950 50 0 GDAARM O=C([O-])[C@@H]1CN(C(=O)c2nc(-c3ccccc3)n(-c3ccccc3)n2)CCO1 ZINC000485836514 570323409 /nfs/dbraw/zinc/32/34/09/570323409.db2.gz WRVBSDDPMINQJO-INIZCTEOSA-N -1 0 378.388 1.860 50 0 GDAARM CCOC(=O)[C@H](CCc1ccccc1)N[C@H](C)C(=O)N1CCC[C@@H]1C(=O)[O-] ZINC000003830750 570351104 /nfs/dbraw/zinc/35/11/04/570351104.db2.gz GBXSMTUPTTWBMN-HYVNUMGLSA-N -1 0 376.453 1.605 50 0 GDAARM CN(Cc1cnc2ccccc2n1)C(=O)CC[C@]1(CCC(=O)[O-])CCC(=O)N1 ZINC000219355282 570356548 /nfs/dbraw/zinc/35/65/48/570356548.db2.gz RULVRWVESJLWNY-FQEVSTJZSA-N -1 0 384.436 1.882 50 0 GDAARM Cc1ccc(S(=O)(=O)[N-]C(=O)NCCn2nc(C3CC3)ccc2=O)cc1 ZINC000575621601 570370118 /nfs/dbraw/zinc/37/01/18/570370118.db2.gz ZGBKRTWHYUPJLZ-UHFFFAOYSA-N -1 0 376.438 1.117 50 0 GDAARM CC(C)NC(=O)CN1CCN(c2ccc(NC(=O)C3CC3)c(C(=O)[O-])c2)CC1 ZINC000035482694 570373807 /nfs/dbraw/zinc/37/38/07/570373807.db2.gz SBWNMYJCESXEIX-UHFFFAOYSA-N -1 0 388.468 1.380 50 0 GDAARM COC(=O)c1cccc(S(=O)(=O)Nc2cc3c(cc2C(=O)[O-])OCCO3)c1 ZINC000024261264 570381565 /nfs/dbraw/zinc/38/15/65/570381565.db2.gz DNFFSRRPVZYCHS-UHFFFAOYSA-N -1 0 393.373 1.743 50 0 GDAARM O=C([O-])[C@H](Cc1ccc(F)cc1)NS(=O)(=O)c1ccc2c(c1)NC(=O)CO2 ZINC000004520603 570381524 /nfs/dbraw/zinc/38/15/24/570381524.db2.gz PKOYWZLOMIZUHJ-AWEZNQCLSA-N -1 0 394.380 1.131 50 0 GDAARM O=C([O-])[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H]1CC(=O)N(Cc2ccco2)C1 ZINC000237962743 570417681 /nfs/dbraw/zinc/41/76/81/570417681.db2.gz WLIUYHIHYFKJSY-KSSFIOAISA-N -1 0 395.415 1.922 50 0 GDAARM COc1cc(C(=O)NC2CCC(C(=O)[O-])CC2)cc(Cl)c1OCC(N)=O ZINC000268928457 570470910 /nfs/dbraw/zinc/47/09/10/570470910.db2.gz GWRRQXCUDXFIBV-UHFFFAOYSA-N -1 0 384.816 1.586 50 0 GDAARM COc1cc(CNC(=O)Cc2c(C(=O)[O-])c(C)cn2C)cc(OC)c1OC ZINC000064774952 570542475 /nfs/dbraw/zinc/54/24/75/570542475.db2.gz HIMUXZGVWKCWIC-UHFFFAOYSA-N -1 0 376.409 1.916 50 0 GDAARM CC(=O)NC1(c2noc(CCC(=O)N3CCC[C@@H]3C(=O)[O-])n2)CCCCCC1 ZINC000262104112 570619500 /nfs/dbraw/zinc/61/95/00/570619500.db2.gz JITIIBHNCYIYRL-CQSZACIVSA-N -1 0 392.456 1.763 50 0 GDAARM CN1C(=O)N(C)[C@]2(c3ccccc3)NC(=O)N(CC(=O)[O-])[C@@]12c1ccccc1 ZINC000012416596 570657396 /nfs/dbraw/zinc/65/73/96/570657396.db2.gz WPKBFODBPMLNBQ-VQTJNVASSA-N -1 0 380.404 1.799 50 0 GDAARM COc1cc(CCC(=O)N2CCO[C@@H](C(=O)[O-])C2)ccc1OCC(F)(F)F ZINC000263045542 570702443 /nfs/dbraw/zinc/70/24/43/570702443.db2.gz WIGBQXNZTKBEIR-CQSZACIVSA-N -1 0 391.342 1.881 50 0 GDAARM Cc1cc(C)cc(N2CCCn3c2nc2c3c(=O)n(CC(=O)[O-])c(=O)n2C)c1 ZINC000004370744 570724286 /nfs/dbraw/zinc/72/42/86/570724286.db2.gz JIGVQUDMXAPSOE-UHFFFAOYSA-N -1 0 383.408 1.140 50 0 GDAARM O=C([O-])C1(CC(=O)N[C@@H]2CC(=O)N(CC(F)(F)F)C2)Cc2ccccc2C1 ZINC000237914643 570750327 /nfs/dbraw/zinc/75/03/27/570750327.db2.gz WUAAXXZGFFEFBR-CYBMUJFWSA-N -1 0 384.354 1.526 50 0 GDAARM C[C@H](C(=O)N1Cc2ccccc2C[C@H]1C(=O)[O-])n1c(=O)[nH]c2ccccc2c1=O ZINC000013629555 570764189 /nfs/dbraw/zinc/76/41/89/570764189.db2.gz 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380.407 1.384 50 0 GDAARM COC(=O)c1ccc([N-]S(=O)(=O)c2c(C)nc3sc(C)cn3c2=O)cc1 ZINC000020921856 221519242 /nfs/dbraw/zinc/51/92/42/221519242.db2.gz NTFPSCPPLURBCA-UHFFFAOYSA-N -1 0 393.446 1.960 50 0 GDAARM Cc1ccc(S(=O)(=O)[N-]C(=O)c2cncc(N3CCOCC3)c2)cc1C ZINC000089643280 136175608 /nfs/dbraw/zinc/17/56/08/136175608.db2.gz PTINMMOMNMURPR-UHFFFAOYSA-N -1 0 375.450 1.654 50 0 GDAARM Cc1cccc2cc(CO)c(N3CCC4(CC3)[C@@H](C(=O)[O-])CC(=O)N4C)nc12 ZINC000095367479 136178200 /nfs/dbraw/zinc/17/82/00/136178200.db2.gz OPNWMTZOKZGYIS-MRXNPFEDSA-N -1 0 383.448 1.937 50 0 GDAARM O=C([O-])[C@H](Cc1ccccc1)NC(=O)Cn1nc(-c2ccc(F)cc2)ccc1=O ZINC000049548853 222000675 /nfs/dbraw/zinc/00/06/75/222000675.db2.gz JLPFWRZCGQDYTI-SFHVURJKSA-N -1 0 395.390 1.862 50 0 GDAARM CCN1CCn2cc(S(=O)(=O)[N-]c3cc(OC)ccc3OC)cc2C1=O ZINC000065254704 222117035 /nfs/dbraw/zinc/11/70/35/222117035.db2.gz CZEIOZUDQPIQAJ-UHFFFAOYSA-N -1 0 379.438 1.782 50 0 GDAARM CC[C@@]1(C(=O)[O-])C[C@H](C(=O)N(C)CC(=O)[O-])[C@H](c2ccc(OC)cc2)[N@@H+]1C ZINC000067696468 222155378 /nfs/dbraw/zinc/15/53/78/222155378.db2.gz XXVWBIIXVUOJHO-QOKNQOGYSA-N -1 0 378.425 1.464 50 0 GDAARM O=C([O-])c1cn(C[C@H]2CCCN(C(=O)c3cnnn3-c3ccccc3)C2)nn1 ZINC000067695251 222156166 /nfs/dbraw/zinc/15/61/66/222156166.db2.gz YAMFVNAMIRGXHS-ZDUSSCGKSA-N -1 0 381.396 1.109 50 0 GDAARM Cn1nc(C(=O)[O-])c2c1CCN(C(=O)[C@@H]1CCCN1C(=O)C1CCCCC1)C2 ZINC000067920946 222167836 /nfs/dbraw/zinc/16/78/36/222167836.db2.gz XIAAPJHMEIUOLX-INIZCTEOSA-N -1 0 388.468 1.574 50 0 GDAARM CSCC[C@@H](NC(=O)Cn1nc(-c2ccccc2F)ccc1=O)C(=O)[O-] ZINC000071335539 222183259 /nfs/dbraw/zinc/18/32/59/222183259.db2.gz SNCGRINEVONOCD-CQSZACIVSA-N -1 0 379.413 1.372 50 0 GDAARM Cc1ccc(F)c(OC2(C(=O)[O-])CCN(C(=O)C[C@H]3CCC(=O)N3)CC2)c1 ZINC000072425414 222259851 /nfs/dbraw/zinc/25/98/51/222259851.db2.gz OSZAOWYVQFXJNK-CYBMUJFWSA-N -1 0 378.400 1.627 50 0 GDAARM O=C([O-])c1cc(-n2ncc3cccnc32)cc(S(=O)(=O)N2CCOCC2)c1 ZINC000071753659 222191761 /nfs/dbraw/zinc/19/17/61/222191761.db2.gz YROIQGNWUGYSSC-UHFFFAOYSA-N -1 0 388.405 1.140 50 0 GDAARM CN1CCN(NC(=O)c2ccccc2[N-]S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000089382726 222326967 /nfs/dbraw/zinc/32/69/67/222326967.db2.gz UOYZHYCSFPAZEE-UHFFFAOYSA-N -1 0 392.456 1.519 50 0 GDAARM COCC(=O)N1CCC(C(=O)N[C@H](CC(=O)[O-])c2cccc(Cl)c2)CC1 ZINC000095512783 222342816 /nfs/dbraw/zinc/34/28/16/222342816.db2.gz NDFYBGOCJOEODG-OAHLLOKOSA-N -1 0 382.844 1.857 50 0 GDAARM COc1cc(CC(=O)N2Cc3nc[nH]c3C[C@@H]2C(=O)[O-])cc(OC)c1OC ZINC000096133765 222385749 /nfs/dbraw/zinc/38/57/49/222385749.db2.gz VTLSAQRIGSSFEN-CYBMUJFWSA-N -1 0 375.381 1.016 50 0 GDAARM O=C(OCc1ccccc1)c1[n-][nH]c2c(O)n(-c3cccc(Cl)c3)c(=O)c1-2 ZINC000101112258 534564747 /nfs/dbraw/zinc/56/47/47/534564747.db2.gz VSQNPDNAJBBYCH-HUUCEWRRSA-N -1 0 383.791 1.901 50 0 GDAARM CC(C)(C)c1ccc(CN2CCN(C(=O)NCCCc3nnn[n-]3)CC2)cc1 ZINC000426399053 526776432 /nfs/dbraw/zinc/77/64/32/526776432.db2.gz OTBKISCOHWATMM-UHFFFAOYSA-N -1 0 385.516 1.957 50 0 GDAARM O=C([O-])c1ccc(-n2nnnc2SCCN2C(=O)c3ccccc3C2=O)cc1 ZINC000019854106 570225556 /nfs/dbraw/zinc/22/55/56/570225556.db2.gz KHDBFBCRTDYIJY-UHFFFAOYSA-N -1 0 395.400 1.749 50 0 GDAARM CN(CC(=O)N1CCC(C(=O)[O-])CC1)C(=O)[C@H]1C[C@H]1c1cccc(F)c1F ZINC000237309783 570231654 /nfs/dbraw/zinc/23/16/54/570231654.db2.gz UCGJFNFDNBMQEQ-KBPBESRZSA-N -1 0 380.391 1.850 50 0 GDAARM CCCCN1C(=O)[N-]C(=O)C(=C(C)NCc2cc(OC)cc(OC)c2)C1=O ZINC000020331671 570252226 /nfs/dbraw/zinc/25/22/26/570252226.db2.gz MYHKCKONVROZJI-VBKFSLOCSA-N -1 0 375.425 1.946 50 0 GDAARM Cc1nc(-c2ccccc2)sc1C(=O)N[C@H](CCCNC(N)=O)C(=O)[O-] ZINC000020745550 570279361 /nfs/dbraw/zinc/27/93/61/570279361.db2.gz XWPGRFLGDKRZRP-GFCCVEGCSA-N -1 0 376.438 1.750 50 0 GDAARM COC(=O)C[C@@H](c1ccc(C(=O)OC)cc1)c1c(=O)nc2ccccn2c1[O-] ZINC000205945740 570327750 /nfs/dbraw/zinc/32/77/50/570327750.db2.gz RPIQJZNZZOEKJR-AWEZNQCLSA-N -1 0 382.372 1.882 50 0 GDAARM O=C([O-])c1cc(S(=O)(=O)N2CCC[C@H](Oc3ccncn3)C2)ccc1F ZINC000575610762 570335368 /nfs/dbraw/zinc/33/53/68/570335368.db2.gz YGTAKLFDVBRNAA-NSHDSACASA-N -1 0 381.385 1.546 50 0 GDAARM O=C([O-])c1cccc(N2C(=O)C[C@@H](Nc3ccc(N4CCOCC4)cc3)C2=O)c1 ZINC000004135802 570359047 /nfs/dbraw/zinc/35/90/47/570359047.db2.gz FRJKJLXNOOVERF-GOSISDBHSA-N -1 0 395.415 1.965 50 0 GDAARM COc1ccc(CC2(CCc3ccncc3)C(=O)NC(=O)NC2=O)cc1OC ZINC000004406355 570373617 /nfs/dbraw/zinc/37/36/17/570373617.db2.gz AAQBCQHCRJMZHA-UHFFFAOYSA-N -1 0 383.404 1.627 50 0 GDAARM Cc1nc2ccccn2c1CN(C)C(=O)CC[C@]1(CCC(=O)[O-])CCC(=O)N1 ZINC000220282105 570384248 /nfs/dbraw/zinc/38/42/48/570384248.db2.gz MPQSMYVLPQQATC-FQEVSTJZSA-N -1 0 386.452 1.895 50 0 GDAARM CC(=O)N[C@@H](Cc1c[nH]c2cc(F)ccc12)C(=O)N1CCC[C@@H](C(=O)[O-])C1 ZINC000236709207 570427231 /nfs/dbraw/zinc/42/72/31/570427231.db2.gz XMNJYWVYPHSFBG-PXAZEXFGSA-N -1 0 375.400 1.677 50 0 GDAARM CCc1nc2ccccc2c(=O)n1NC(=O)c1c([O-])c2ccccc2n(C)c1=O ZINC000100674227 570428201 /nfs/dbraw/zinc/42/82/01/570428201.db2.gz AYMWXOOKZINGCC-UHFFFAOYSA-N -1 0 390.399 1.900 50 0 GDAARM CCOc1cc(C(=O)N2CCNC(=O)[C@H]2c2ccccc2)ccc1OCC(=O)[O-] ZINC000268912448 570464183 /nfs/dbraw/zinc/46/41/83/570464183.db2.gz NYRMTBJREWBGCE-LJQANCHMSA-N -1 0 398.415 1.862 50 0 GDAARM CCn1c(=O)[nH]c2cc(C(=O)N3[C@H](C(=O)[O-])C[C@@H]4CCCC[C@@H]43)ccc2c1=O ZINC000268934445 570477148 /nfs/dbraw/zinc/47/71/48/570477148.db2.gz GIDQTEOVMCIJPV-UVBJJODRSA-N -1 0 385.420 1.980 50 0 GDAARM CC[C@H](C)[C@H](NC(=O)N1CCn2c3ccccc3nc21)C(=O)N[C@H](C)C(=O)[O-] ZINC000006624343 570508579 /nfs/dbraw/zinc/50/85/79/570508579.db2.gz UYKWAWINNHQVMM-ZOWXZIJZSA-N -1 0 387.440 1.570 50 0 biogenic GDAARM Cc1nn(-c2nc(C)cc(C)n2)c(C)c1CC(=O)N1CCO[C@@H](CC(=O)[O-])C1 ZINC000262745475 570756669 /nfs/dbraw/zinc/75/66/69/570756669.db2.gz JTHAFRRCXUGHBF-HNNXBMFYSA-N -1 0 387.440 1.141 50 0 GDAARM COc1cc([N-]S(=O)(=O)c2cc3n(c2)CCCN(C)C3=O)cc(OC)c1 ZINC000065258718 570760895 /nfs/dbraw/zinc/76/08/95/570760895.db2.gz ARWJBGRLZSGVSJ-UHFFFAOYSA-N -1 0 379.438 1.782 50 0 GDAARM COC(=O)c1[n-]n(-c2cccc(C)c2)c2c(O)n(-c3ccccc3OC)c(=O)c1-2 ZINC000100909566 570779855 /nfs/dbraw/zinc/77/98/55/570779855.db2.gz ACEPQLXHSXYKNL-SJLPKXTDSA-N -1 0 393.399 1.911 50 0 GDAARM Cc1ccc(-n2c(O)c3[nH][n-]c(C(=O)OCc4ccccc4)c-3c2=O)c(C)c1 ZINC000100916165 570780681 /nfs/dbraw/zinc/78/06/81/570780681.db2.gz RGXWPJYLLYYZKR-IAGOWNOFSA-N -1 0 377.400 1.864 50 0 GDAARM CCOC(=O)c1[n-]n(-c2ccccc2)c2c(O)n(-c3ccccc3OC)c(=O)c1-2 ZINC000100942575 570781475 /nfs/dbraw/zinc/78/14/75/570781475.db2.gz WIZGTYOBWXROFM-SJLPKXTDSA-N -1 0 393.399 1.993 50 0 GDAARM COc1ccc([C@H]2Cn3nnc(C(=O)N4CCC(C(=O)[O-])CC4)c3CO2)cc1 ZINC000583648357 570804631 /nfs/dbraw/zinc/80/46/31/570804631.db2.gz ZUKWAUUNAFLJKK-MRXNPFEDSA-N -1 0 386.408 1.495 50 0 GDAARM COc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4ccccc4C)c=3c2=O)cc1 ZINC000101165976 570814759 /nfs/dbraw/zinc/81/47/59/570814759.db2.gz ZBWNFHHTSURDNA-QZTJIDSGSA-N -1 0 393.403 1.936 50 0 GDAARM C[C@@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)N[C@H](C(=O)[O-])c2ccccc2)C1=O ZINC000299751540 570828700 /nfs/dbraw/zinc/82/87/00/570828700.db2.gz QXPVEXLLEQSVQK-JXFKEZNVSA-N -1 0 399.378 1.535 50 0 GDAARM C[C@@H](Sc1nc2c(c(=O)n(C)c(=O)n2C)n1CCc1ccccc1)C(=O)[O-] ZINC000103159420 570879702 /nfs/dbraw/zinc/87/97/02/570879702.db2.gz NOZBNHIDXGYGNO-LLVKDONJSA-N -1 0 388.449 1.242 50 0 GDAARM CC(C)(C)OC(=O)N[C@@H](CCC(N)=O)C(=O)OCc1ccc(CC(=O)[O-])cc1 ZINC000004343309 570896357 /nfs/dbraw/zinc/89/63/57/570896357.db2.gz YSCWETYWYFVXPJ-AWEZNQCLSA-N -1 0 394.424 1.516 50 0 GDAARM COc1cc([C@@H](CC(=O)[O-])NC(=O)Cc2ccccc2)ccc1OCC(N)=O ZINC000004574444 570898713 /nfs/dbraw/zinc/89/87/13/570898713.db2.gz ONCSCNFRKMUZJO-OAHLLOKOSA-N -1 0 386.404 1.434 50 0 GDAARM COc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4ccccc4)c=3c2=O)cc1 ZINC000101165913 570900115 /nfs/dbraw/zinc/90/01/15/570900115.db2.gz XHMGQOXTEJZXEV-IRXDYDNUSA-N -1 0 379.376 1.627 50 0 GDAARM Cc1c2ccc(O)cc2oc(=O)c1CCC(=O)N[C@H](CC[S@](C)=O)C(=O)[O-] ZINC000004073355 570930207 /nfs/dbraw/zinc/93/02/07/570930207.db2.gz DWPUIEYFTQKIDV-LOKFHWFJSA-N -1 0 395.433 1.078 50 0 biogenic GDAARM COc1cc(OC)c2c(C)c(CC(=O)N[C@@H](CSC)C(=O)[O-])c(=O)oc2c1 ZINC000002112459 570950779 /nfs/dbraw/zinc/95/07/79/570950779.db2.gz GIAHWHCUEVQWHU-LBPRGKRZSA-N -1 0 395.433 1.594 50 0 biogenic GDAARM CC(C)(CNC(=O)[C@@H]1CCCN1C(=O)OCc1ccccc1)[C@H](O)C(=O)[O-] ZINC000002139972 570963131 /nfs/dbraw/zinc/96/31/31/570963131.db2.gz QESQQIFTARZLCW-LSDHHAIUSA-N -1 0 378.425 1.376 50 0 biogenic GDAARM COc1cccc([C@@H]2C[N@H+](Cc3c[nH]nc3C(=O)[O-])C[C@H]2C(=O)[O-])c1OC ZINC000091504267 571011403 /nfs/dbraw/zinc/01/14/03/571011403.db2.gz UVTCNELFTLDVPY-QWHCGFSZSA-N -1 0 375.381 1.425 50 0 GDAARM COC1CCN(S(=O)(=O)N2CCC[C@H](c3ccc(C(=O)[O-])cc3)C2)CC1 ZINC000095362223 571056014 /nfs/dbraw/zinc/05/60/14/571056014.db2.gz DIHYLKYDQPWSCB-INIZCTEOSA-N -1 0 382.482 1.920 50 0 GDAARM COc1ccc2c(c1)OC[C@]1(C(=O)[O-])CN(C(=O)CCc3nnc(C)[nH]3)C[C@H]21 ZINC000095376165 571064685 /nfs/dbraw/zinc/06/46/85/571064685.db2.gz MWXVNXMOBZHYKQ-AUUYWEPGSA-N -1 0 386.408 1.144 50 0 GDAARM COc1cccc(OC)c1C(=O)N1CCC2(CC1)[C@@H](C(=O)[O-])CC(=O)N2C ZINC000095378280 571065728 /nfs/dbraw/zinc/06/57/28/571065728.db2.gz VIJAZUJOUDRGCG-GFCCVEGCSA-N -1 0 376.409 1.242 50 0 GDAARM COc1cc(CN2CCC3(CC2)NC(=O)C[C@@H]3C(=O)[O-])cc(Cl)c1OC ZINC000095378923 571066292 /nfs/dbraw/zinc/06/62/92/571066292.db2.gz OKOSQDZJXXHWEF-GFCCVEGCSA-N -1 0 382.844 1.913 50 0 GDAARM CO[C@@](C)(C(=O)[O-])C(=O)N[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000663050628 654318985 /nfs/dbraw/zinc/31/89/85/654318985.db2.gz SCURQXQIBIZIMC-IAQYHMDHSA-N -1 0 375.208 1.705 50 0 GDAARM CO[C@@](C)(C(=O)[O-])C(=O)N[C@@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1 ZINC000663103876 954489684 /nfs/dbraw/zinc/48/96/84/954489684.db2.gz FHQUOFOBWKTARW-YMTOWFKASA-N -1 0 395.765 1.938 50 0 GDAARM Nn1c(=O)c(CCC(=O)[O-])nnc1SCc1ccc(Cl)c(Cl)c1 ZINC000004854824 530537678 /nfs/dbraw/zinc/53/76/78/530537678.db2.gz VRZUNFUBBLJDMG-UHFFFAOYSA-N -1 0 375.237 1.968 50 0 GDAARM COc1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2F)cc1S(N)(=O)=O ZINC000005885013 530540365 /nfs/dbraw/zinc/54/03/65/530540365.db2.gz UDKVDEXOIYJDQA-UHFFFAOYSA-N -1 0 396.368 1.561 50 0 GDAARM O=C([N-][C@H](O)C(Br)(Br)Br)C(F)(F)F ZINC000006072480 530540638 /nfs/dbraw/zinc/54/06/38/530540638.db2.gz YPRWUHITXSFUFV-PVQJCKRUSA-N -1 0 393.779 1.822 50 0 GDAARM O=C([O-])[C@H]1CCN(C(=O)CCn2cnc3ccc(Br)cc3c2=O)C1 ZINC000178267800 530718904 /nfs/dbraw/zinc/71/89/04/530718904.db2.gz UMIIFMFOCVVSSE-JTQLQIEISA-N -1 0 394.225 1.482 50 0 GDAARM O=C([O-])[C@@H]1CCN(C(=O)Cn2cnc3ccc(Br)cc3c2=O)C1 ZINC000178267870 530719066 /nfs/dbraw/zinc/71/90/66/530719066.db2.gz BTOQVMMYWZBETR-SECBINFHSA-N -1 0 380.198 1.092 50 0 GDAARM COC(=O)[C@@H]([N-]S(=O)(=O)c1c(C)nn(C)c1Cl)c1cc(F)ccc1F ZINC000057874188 530728537 /nfs/dbraw/zinc/72/85/37/530728537.db2.gz RSYNMBDMMFTUEK-NSHDSACASA-N -1 0 393.799 1.853 50 0 GDAARM C[C@@H](CNS(=O)(=O)c1cc(C(=O)[O-])n(C)c1)N1CCc2sccc2C1 ZINC000237437479 531046600 /nfs/dbraw/zinc/04/66/00/531046600.db2.gz PQZGCEFVHWEYEU-NSHDSACASA-N -1 0 383.495 1.510 50 0 GDAARM O=C([O-])[C@@H]1CCCN1C(=O)Cn1cnc2ccc(Br)cc2c1=O ZINC000238070932 531054882 /nfs/dbraw/zinc/05/48/82/531054882.db2.gz SGJCXGUDNGRQOR-LBPRGKRZSA-N -1 0 380.198 1.235 50 0 GDAARM O=C([O-])[C@@H]1CN(C(=O)c2cc(=O)[nH]c3c(Br)cccc23)CCO1 ZINC000521365987 531244380 /nfs/dbraw/zinc/24/43/80/531244380.db2.gz GFZWBYPZFQVTLY-NSHDSACASA-N -1 0 381.182 1.629 50 0 GDAARM O=C([O-])[C@H]1CN(C(=O)C2CCN(c3nc4ccccc4s3)CC2)CCO1 ZINC000299753811 222784579 /nfs/dbraw/zinc/78/45/79/222784579.db2.gz ZKXJWNLVCLCTST-CQSZACIVSA-N -1 0 375.450 1.825 50 0 GDAARM O=C([O-])[C@@H]1CCN(C(=O)CS(=O)(=O)Cc2ccc(Br)cc2)C1 ZINC000269177214 531620648 /nfs/dbraw/zinc/62/06/48/531620648.db2.gz JYENNXDAOIPORW-LLVKDONJSA-N -1 0 390.255 1.297 50 0 GDAARM O=C([O-])c1cccc(CNC(=O)CSc2nnnn2-c2ccc(O)cc2)c1 ZINC000001766114 212255881 /nfs/dbraw/zinc/25/58/81/212255881.db2.gz WDDSWWDZNVBAQW-UHFFFAOYSA-N -1 0 385.405 1.475 50 0 GDAARM CC(C)Oc1ccc(OCCn2c3ncnc(N)c3nc2S(=O)(=O)[O-])cc1 ZINC000003656499 220663041 /nfs/dbraw/zinc/66/30/41/220663041.db2.gz NUERZSMYFZXULO-UHFFFAOYSA-N -1 0 393.425 1.521 50 0 GDAARM CSCC[C@H](NC(=O)OCc1ccccc1)C(=O)N1C[C@H](O)C[C@H]1C(=O)[O-] ZINC000004042893 220673806 /nfs/dbraw/zinc/67/38/06/220673806.db2.gz TUZCGQBULDQMTL-ILXRZTDVSA-N -1 0 396.465 1.081 50 0 biogenic GDAARM Cc1cc(C)cc(N2C[C@@H](C)Cn3c4c(nc32)n(C)c(=O)n(CC(=O)[O-])c4=O)c1 ZINC000004370767 220712853 /nfs/dbraw/zinc/71/28/53/220712853.db2.gz DPMJAHCZTWNKNX-CYBMUJFWSA-N -1 0 397.435 1.386 50 0 GDAARM C[C@]1(c2ccccc2)NC(=O)N([N-]C(=O)c2cnn(-c3ccccc3)c2)C1=O ZINC000010804196 221107194 /nfs/dbraw/zinc/10/71/94/221107194.db2.gz DKJQTAVLHCWELV-HXUWFJFHSA-N -1 0 375.388 1.984 50 0 GDAARM Cc1cc([N-]S(=O)(=O)c2cc(C)ccc2C)n([C@H]2CCS(=O)(=O)C2)n1 ZINC000011795901 221126083 /nfs/dbraw/zinc/12/60/83/221126083.db2.gz JNZMRTPULYBAGL-AWEZNQCLSA-N -1 0 383.495 1.969 50 0 GDAARM Cc1ccc(Cl)cc1Nc1nc2c(c(=O)n(C)c(=O)n2C)n1CC(=O)[O-] ZINC000012443265 221196054 /nfs/dbraw/zinc/19/60/54/221196054.db2.gz XVXXWLIMCVHJDP-UHFFFAOYSA-N -1 0 377.788 1.224 50 0 GDAARM CC(C)n1nnnc1SCC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC000013406871 221268076 /nfs/dbraw/zinc/26/80/76/221268076.db2.gz TVFDCTCDSSCIQW-CQSZACIVSA-N -1 0 388.453 1.640 50 0 GDAARM COCC(=O)Nc1cc(C)nn1-c1nc2c(cnn2-c2ccc(C)cc2)c(=O)[n-]1 ZINC000016847669 221372238 /nfs/dbraw/zinc/37/22/38/221372238.db2.gz VCKVTMKIFYEDQH-UHFFFAOYSA-N -1 0 393.407 1.909 50 0 GDAARM COCCNC(=S)N[N-]S(=O)(=O)c1cc(Cl)c(Cl)cc1Cl ZINC000017080284 221378357 /nfs/dbraw/zinc/37/83/57/221378357.db2.gz AKKBFAWRNBSNBH-UHFFFAOYSA-N -1 0 392.717 1.951 50 0 GDAARM O=C([O-])[C@H]1c2[nH]cnc2CCN1Cc1cc2ccccc2nc1N1CCOCC1 ZINC000072421469 136169877 /nfs/dbraw/zinc/16/98/77/136169877.db2.gz WMYACSLSPPOUBI-LJQANCHMSA-N -1 0 393.447 1.979 50 0 GDAARM O=C(c1snc2c1nc([O-])n(C1CC1)c2=O)N1CCN(c2ccccn2)CC1 ZINC000097939265 136188738 /nfs/dbraw/zinc/18/87/38/136188738.db2.gz YJBJVOFVIMPUCW-UHFFFAOYSA-N -1 0 398.448 1.251 50 0 GDAARM O=C([O-])CNC(=O)CNC(=O)Cn1ccc2cc(OCc3ccccc3)ccc21 ZINC000040310000 221918903 /nfs/dbraw/zinc/91/89/03/221918903.db2.gz XNRTYZZLGGDDFR-UHFFFAOYSA-N -1 0 395.415 1.537 50 0 biogenic GDAARM Cc1nc(-c2cccc(F)c2)sc1C(=O)N[C@H](CCCNC(N)=O)C(=O)[O-] ZINC000049545887 222000907 /nfs/dbraw/zinc/00/09/07/222000907.db2.gz BQKBUKROMQHHMX-GFCCVEGCSA-N -1 0 394.428 1.889 50 0 GDAARM COc1ccc(OC)c(S(=O)(=O)[N-]c2c(C)nn(C)c2-n2cncn2)c1 ZINC000058250538 222047949 /nfs/dbraw/zinc/04/79/49/222047949.db2.gz SWJQMIOTKKUSCD-UHFFFAOYSA-N -1 0 378.414 1.127 50 0 GDAARM CC(C)[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)[N-]O[C@H]1CCCCO1 ZINC000060332936 222060253 /nfs/dbraw/zinc/06/02/53/222060253.db2.gz JPLRFJUBFRMDFS-GJZGRUSLSA-N -1 0 381.454 1.324 50 0 GDAARM CSc1ccc(-c2ccc(=O)n(CC(=O)N3CCC[C@H](C(=O)[O-])C3)n2)cc1 ZINC000061718357 222061368 /nfs/dbraw/zinc/06/13/68/222061368.db2.gz AODNHTBEBNRWFZ-AWEZNQCLSA-N -1 0 387.461 1.955 50 0 GDAARM COc1ccc(-c2noc(CNC(=O)[C@H]3[C@H](C(=O)[O-])C3(C)C)n2)cc1OC ZINC000071280200 222178568 /nfs/dbraw/zinc/17/85/68/222178568.db2.gz QNBQGHMSFMUCBY-ZIAGYGMSSA-N -1 0 375.381 1.727 50 0 GDAARM COCCNS(=O)(=O)c1cc(C(=O)[O-])cc(-n2c(C)nc3ccccc32)c1 ZINC000072152578 222212888 /nfs/dbraw/zinc/21/28/88/222212888.db2.gz RFMQDFWBZOBHLV-UHFFFAOYSA-N -1 0 389.433 1.957 50 0 GDAARM Cc1cc(C(F)F)nn1CC(=O)N1CCCn2nc(CCC(=O)[O-])cc2C1 ZINC000072477500 222265355 /nfs/dbraw/zinc/26/53/55/222265355.db2.gz IZIKCRWOIUYQKO-UHFFFAOYSA-N -1 0 381.383 1.775 50 0 GDAARM COC(=O)C[C@H](c1cc2c(c(OC)c1)OCO2)c1c([O-])nc2ccccn2c1=O ZINC000096114612 222382015 /nfs/dbraw/zinc/38/20/15/222382015.db2.gz QLYWUAXIWFMAPJ-GFCCVEGCSA-N -1 0 398.371 1.832 50 0 biogenic GDAARM Cc1cc(=O)c(O)c([C@H](CC(=O)N2CCOCC2)c2ccc(C(=O)[O-])cc2)o1 ZINC000096116265 222383099 /nfs/dbraw/zinc/38/30/99/222383099.db2.gz DPHLORZYQYUTKZ-OAHLLOKOSA-N -1 0 387.388 1.733 50 0 biogenic GDAARM COC[C@@H]1CCCN(c2ncc(C(C)(C)C(=O)[O-])c(N3CCOCC3)n2)C1 ZINC000096149115 536766230 /nfs/dbraw/zinc/76/62/30/536766230.db2.gz RPLHAIQJFKYWKY-CQSZACIVSA-N -1 0 378.473 1.538 50 0 GDAARM O=C([O-])[C@H](Cc1ccccc1)NC(=O)N1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2 ZINC000002083422 570273939 /nfs/dbraw/zinc/27/39/39/570273939.db2.gz IZAYJNCKDMBXTP-IKGGRYGDSA-N -1 0 381.432 1.673 50 0 biogenic GDAARM Cc1[nH]c2ccccc2c1[C@@H](C(=O)[O-])N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000020739981 570278413 /nfs/dbraw/zinc/27/84/13/570278413.db2.gz KIKRUYTUEYIBSP-KDOFPFPSSA-N -1 0 391.493 1.407 50 0 GDAARM Cc1cc2cccnc2c(S(=O)(=O)N[C@@H]2COCC[C@@H]2OCC(=O)[O-])c1 ZINC000219685776 570373071 /nfs/dbraw/zinc/37/30/71/570373071.db2.gz WLMZXINJFRMRNW-KGLIPLIRSA-N -1 0 380.422 1.080 50 0 GDAARM O=C(c1cc(S(=O)(=O)[N-]c2ccc3c(c2)NC(=O)CO3)c[nH]1)N1CCCC1 ZINC000026534637 570426455 /nfs/dbraw/zinc/42/64/55/570426455.db2.gz PAHBDSHKORYYNP-UHFFFAOYSA-N -1 0 390.421 1.382 50 0 GDAARM COC(=O)C1=C(C)NC(=O)[C@@]1(c1c(C)[n-]n(-c2ccccc2)c1=O)C(F)(F)F ZINC000005067775 570428159 /nfs/dbraw/zinc/42/81/59/570428159.db2.gz UTPIYWRUNGZEII-KRWDZBQOSA-N -1 0 395.337 1.851 50 0 GDAARM O=C([O-])[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CC(=O)N(CC(F)(F)F)C1 ZINC000268891396 570442083 /nfs/dbraw/zinc/44/20/83/570442083.db2.gz KWQHNPQWRGECPP-BXUZGUMPSA-N -1 0 397.353 1.691 50 0 GDAARM COc1ccc(C(=O)NCC(=O)NN=Cc2ccc(C(=O)[O-])cc2)cc1OC ZINC000252603643 570454068 /nfs/dbraw/zinc/45/40/68/570454068.db2.gz FSSJLEFFVBYTEY-UHFFFAOYSA-N -1 0 385.376 1.282 50 0 GDAARM CC(=O)Oc1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)N[C@H](C)C(=O)[O-])cc1 ZINC000004596855 570628029 /nfs/dbraw/zinc/62/80/29/570628029.db2.gz CHNUQHCKLPGJGQ-RNEAKCBISA-N -1 0 396.399 1.972 50 0 GDAARM O=C([O-])C[C@@H](NC(=O)[C@@H]1CC(=O)N(CC(F)(F)F)C1)c1ccc(F)cc1 ZINC000262361707 570665186 /nfs/dbraw/zinc/66/51/86/570665186.db2.gz IXINEOZIWUYMDM-ZYHUDNBSSA-N -1 0 376.306 1.869 50 0 GDAARM O=C([C@H]1CCN(c2ccc(F)c(F)c2)C1=O)N1CCC[C@H](c2nnn[n-]2)C1 ZINC000155485899 570687439 /nfs/dbraw/zinc/68/74/39/570687439.db2.gz FEHRCGRTGNCHAL-CMPLNLGQSA-N -1 0 376.367 1.237 50 0 GDAARM O=C(OCc1ccccc1)c1[n-][nH]c2c(O)n(-c3cccc(Cl)c3)c(=O)c1-2 ZINC000004361387 570709719 /nfs/dbraw/zinc/70/97/19/570709719.db2.gz VSQNPDNAJBBYCH-CABCVRRESA-N -1 0 383.791 1.901 50 0 GDAARM [O-]c1c([C@@H](c2ccc(F)cc2)N2CCN(CCO)CC2)sc2ncnn12 ZINC000022031279 570778183 /nfs/dbraw/zinc/77/81/83/570778183.db2.gz DDGABYXDYBNDTA-CQSZACIVSA-N -1 0 377.445 1.335 50 0 GDAARM CCc1ccc(-n2c(O)c3[nH][n-]c(C(=O)OCc4ccccc4)c-3c2=O)cc1 ZINC000100916157 570780650 /nfs/dbraw/zinc/78/06/50/570780650.db2.gz KFOAXRFHCHEMOQ-SJORKVTESA-N -1 0 377.400 1.810 50 0 GDAARM CC(=O)N1N=C(c2c(=O)[nH]c(=O)n(C3CCCCC3)c2[O-])C[C@@H]1c1cccnc1 ZINC000101456541 570824005 /nfs/dbraw/zinc/82/40/05/570824005.db2.gz VDZHARDHVVWRHV-MRXNPFEDSA-N -1 0 397.435 1.840 50 0 GDAARM COc1cc([C@H]2CC(c3c([O-])[nH]c(=S)n(C)c3=O)=NN2)cc(OC)c1OC ZINC000101494994 570825107 /nfs/dbraw/zinc/82/51/07/570825107.db2.gz FDXFIBZAPBJVHU-SECBINFHSA-N -1 0 392.437 1.613 50 0 GDAARM CCOC(=O)c1cccc(NC(=O)N2CCc3nc4cc[n-]n4c(=O)c3C2)c1 ZINC000102990630 570873526 /nfs/dbraw/zinc/87/35/26/570873526.db2.gz PIKXYPBMDNINPI-UHFFFAOYSA-N -1 0 381.392 1.790 50 0 GDAARM O=CN1CC[NH+]([C@@H](C(=O)[O-])c2cn(CCC(=O)[O-])c3cc(F)ccc23)CC1 ZINC000036365980 570879004 /nfs/dbraw/zinc/87/90/04/570879004.db2.gz NDTCHGFZVIOYTC-QGZVFWFLSA-N -1 0 377.372 1.155 50 0 GDAARM COCC(=O)N[C@@H]1CC[C@@]2(OC)CCN(C(=O)c3cccc(F)c3[O-])[C@H]2C1 ZINC000534587290 570904905 /nfs/dbraw/zinc/90/49/05/570904905.db2.gz WRALDRVSJBGZHU-XFHNUULXSA-N -1 0 380.416 1.446 50 0 GDAARM CCOC(=O)c1[n-]n(C(C)=O)c2c(O)n(-c3cc(Cl)cc(Cl)c3)c(=O)c1-2 ZINC000108802239 570991731 /nfs/dbraw/zinc/99/17/31/570991731.db2.gz UTMDKWFYYUEZHV-DGCLKSJQSA-N -1 0 398.202 1.633 50 0 GDAARM O=C([O-])c1cccc(C(=O)N2CCC[C@H](S(=O)(=O)NC3CCCC3)C2)c1 ZINC000262779027 597709906 /nfs/dbraw/zinc/70/99/06/597709906.db2.gz MBNRLYMVPBHOSC-INIZCTEOSA-N -1 0 380.466 1.851 50 0 GDAARM Cc1cccc(C[C@@H](CNC(=O)[C@@H]2CC(=O)N(Cc3ccccn3)C2)C(=O)[O-])c1 ZINC000299750056 600066697 /nfs/dbraw/zinc/06/66/97/600066697.db2.gz MOAKMNDZHUBMRI-ZWKOTPCHSA-N -1 0 395.459 1.798 50 0 GDAARM CCOc1cc(C(=O)N[C@@H]2CC(=O)N([C@@H]3C[C@@H]3C)C2)ccc1OCC(=O)[O-] ZINC000299742277 600935436 /nfs/dbraw/zinc/93/54/36/600935436.db2.gz AYJNNNBZGZAGRN-IACUBPJLSA-N -1 0 376.409 1.288 50 0 GDAARM CC(C)CNS(=O)(=O)c1ccc(CNC(=O)N2CC[C@@H](C(=O)[O-])C2)cc1 ZINC000263285388 604793697 /nfs/dbraw/zinc/79/36/97/604793697.db2.gz UMEYQYICVLNMTR-CQSZACIVSA-N -1 0 383.470 1.237 50 0 GDAARM O=C([O-])c1cn(CC(=O)NC2(c3ccccc3Br)CCC2)nn1 ZINC000652081336 653881347 /nfs/dbraw/zinc/88/13/47/653881347.db2.gz PCWNTHDGRUETSU-UHFFFAOYSA-N -1 0 379.214 1.934 50 0 GDAARM CS(=O)(=O)[C@@H]1CN(C(=O)Cc2ccc(C(=O)[O-])cc2)C[C@H]1C(F)(F)F ZINC000864097509 655890246 /nfs/dbraw/zinc/89/02/46/655890246.db2.gz UWGLZKBIQMMTPR-VXGBXAGGSA-N -1 0 379.356 1.361 50 0 GDAARM O=C([O-])[C@@H]1CCCCN1S(=O)(=O)c1ccc(OC[C@@H]2CCOC2)c(F)c1 ZINC000262422481 950121976 /nfs/dbraw/zinc/12/19/76/950121976.db2.gz NIBVXJYXBDFFIW-DOMZBBRYSA-N -1 0 387.429 1.869 50 0 GDAARM COCCS(=O)(=O)c1ccc(NC(=O)N2CC[C@H](C)[C@H](C(=O)[O-])C2)cc1 ZINC000569928147 953652445 /nfs/dbraw/zinc/65/24/45/953652445.db2.gz YSLKDNNWPQBNDK-SWLSCSKDSA-N -1 0 384.454 1.681 50 0 GDAARM O=C([O-])[C@@H](Cc1ccncc1)NS(=O)(=O)c1ccc2c(c1)OCCCO2 ZINC000647928362 953983537 /nfs/dbraw/zinc/98/35/37/953983537.db2.gz KARUHVZZQFCMJE-CQSZACIVSA-N -1 0 378.406 1.217 50 0 GDAARM CCn1c(=O)[nH]c2cc(C(=O)N3Cc4ccccc4C[C@@H]3C(=O)[O-])ccc2c1=O ZINC000299752464 962939574 /nfs/dbraw/zinc/93/95/74/962939574.db2.gz UESVQQOWFIDZLP-QGZVFWFLSA-N -1 0 393.399 1.774 50 0 GDAARM CSCC[C@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)N(C)C)c1)C(=O)[O-] ZINC000009874898 530551659 /nfs/dbraw/zinc/55/16/59/530551659.db2.gz XEGPEVFNSCOBGF-NSHDSACASA-N -1 0 394.902 1.526 50 0 GDAARM CSCC[C@@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)N(C)C)c1)C(=O)[O-] ZINC000009874907 530551862 /nfs/dbraw/zinc/55/18/62/530551862.db2.gz XEGPEVFNSCOBGF-LLVKDONJSA-N -1 0 394.902 1.526 50 0 GDAARM Cc1ccc(S(=O)(=O)N2CCCCC2)cc1S(=O)(=O)[N-]c1cn[nH]c1 ZINC000089651294 530809016 /nfs/dbraw/zinc/80/90/16/530809016.db2.gz VIQJFYYZYDFUND-UHFFFAOYSA-N -1 0 384.483 1.694 50 0 GDAARM O=C([O-])[C@@H]1CCCCN1C(=O)CN1C(=O)COc2cc(Br)ccc21 ZINC000262400893 531119173 /nfs/dbraw/zinc/11/91/73/531119173.db2.gz UVFOFNNTACCUOD-LBPRGKRZSA-N -1 0 397.225 1.640 50 0 GDAARM O=C([O-])[C@@H]1CCCN1C(=O)CS(=O)(=O)Cc1ccc(Br)cc1 ZINC000262684947 531126891 /nfs/dbraw/zinc/12/68/91/531126891.db2.gz CTKYOEVBFXRHKA-LBPRGKRZSA-N -1 0 390.255 1.440 50 0 GDAARM O=C([O-])CN(C(=O)CCCOc1ccc2c(c1)CCC(=O)N2)C1CCOCC1 ZINC000299750401 222783038 /nfs/dbraw/zinc/78/30/38/222783038.db2.gz NJQYOYOUJPLZSR-UHFFFAOYSA-N -1 0 390.436 1.823 50 0 GDAARM O=C([O-])CCN(C[C@H]1CCCO1)C(=O)C[C@@H]1Sc2ccccc2NC1=O ZINC000299752569 222785000 /nfs/dbraw/zinc/78/50/00/222785000.db2.gz UPSDGLFZCNEMJL-DOMZBBRYSA-N -1 0 378.450 1.972 50 0 GDAARM CC(=O)[N-]S(=O)(=O)c1ccc(NC(=O)[C@@H]2COc3ccccc3O2)cc1 ZINC000001421282 212243353 /nfs/dbraw/zinc/24/33/53/212243353.db2.gz NGGBUXWHOUFFGD-INIZCTEOSA-N -1 0 376.390 1.290 50 0 GDAARM COc1cc([N-]S(=O)(=O)c2ccc(NC(=O)C3CC3)cc2)nc(OC)n1 ZINC000000779437 212181323 /nfs/dbraw/zinc/18/13/23/212181323.db2.gz GIVIOUFRNYSYKO-UHFFFAOYSA-N -1 0 378.410 1.643 50 0 GDAARM CCCCn1c(N)c(N(C)C(=O)C=Cc2ccc(C(=O)[O-])cc2)c(=O)[nH]c1=O ZINC000096298711 212153511 /nfs/dbraw/zinc/15/35/11/212153511.db2.gz JEXFPHQFSZTMGV-YFHOEESVSA-N -1 0 386.408 1.293 50 0 GDAARM Cc1c2ccc(O)cc2oc(=O)c1CC(=O)N[C@H](C(=O)[O-])c1ccc(O)cc1 ZINC000002111500 220504628 /nfs/dbraw/zinc/50/46/28/220504628.db2.gz UYUSSEBPUOEDQQ-SFHVURJKSA-N -1 0 383.356 1.997 50 0 biogenic GDAARM O=C([O-])[C@H](Cc1c[nH]c2ccccc12)NC(=O)Cn1cnc2ccccc2c1=O ZINC000002130102 220505367 /nfs/dbraw/zinc/50/53/67/220505367.db2.gz DXRKQKIQLKQUJK-SFHVURJKSA-N -1 0 390.399 1.690 50 0 biogenic GDAARM O=C([O-])[C@@H]1Cc2ccccc2CN1S(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000003276877 220621039 /nfs/dbraw/zinc/62/10/39/220621039.db2.gz XJCOAAZKLUGMDL-HNNXBMFYSA-N -1 0 375.402 1.658 50 0 GDAARM CSCC[C@H](NC(=O)OCc1ccccc1)C(=O)N1C[C@H](O)C[C@@H]1C(=O)[O-] ZINC000004042886 220674554 /nfs/dbraw/zinc/67/45/54/220674554.db2.gz TUZCGQBULDQMTL-QLFBSQMISA-N -1 0 396.465 1.081 50 0 biogenic GDAARM CC(C)[C@@H](C(=O)NCC1CCC(C(=O)[O-])CC1)n1nnc2ccccc2c1=O ZINC000004294889 220701920 /nfs/dbraw/zinc/70/19/20/220701920.db2.gz DVVFHYCQQYIPIL-KVULBXGLSA-N -1 0 386.452 1.996 50 0 GDAARM Cn1c(=O)c2cc(C(=O)c3cc(Cl)cc(Cl)c3[O-])cnc2n(C)c1=O ZINC000006935485 220978166 /nfs/dbraw/zinc/97/81/66/220978166.db2.gz KOJQYGMLHKNPLP-UHFFFAOYSA-N -1 0 380.187 1.876 50 0 GDAARM O=C([O-])c1nn(CC(=O)N2CCN(c3ccccc3)CC2)c(=O)c2ccccc21 ZINC000007785280 221012505 /nfs/dbraw/zinc/01/25/05/221012505.db2.gz FYKIEZRTDVRYTR-UHFFFAOYSA-N -1 0 392.415 1.444 50 0 GDAARM CC(=O)[N-]S(=O)(=O)c1ccc(NC(=O)c2ccc(-n3cccn3)cc2)cc1 ZINC000008231726 221032146 /nfs/dbraw/zinc/03/21/46/221032146.db2.gz FIKJLXCVQBVPMX-UHFFFAOYSA-N -1 0 384.417 1.949 50 0 GDAARM COc1ccc2c(C)c(CCC(=O)N[C@H](CSC)C(=O)[O-])c(=O)oc2c1 ZINC000011867582 221133650 /nfs/dbraw/zinc/13/36/50/221133650.db2.gz SJEDOCRGSQPPHY-CQSZACIVSA-N -1 0 379.434 1.975 50 0 GDAARM Cc1cc([N-]S(=O)(=O)c2ccc(N3C(=O)[C@H](C)CS3(=O)=O)cc2)no1 ZINC000011904155 221134969 /nfs/dbraw/zinc/13/49/69/221134969.db2.gz AEBQZOVCKHNTQA-SECBINFHSA-N -1 0 385.423 1.096 50 0 GDAARM CC[C@H](Oc1ccccc1)C(=O)N[C@@H]1C(=O)N2[C@H]1SC(C)(C)[C@H]2C(=O)[O-] ZINC000011616431 221118287 /nfs/dbraw/zinc/11/82/87/221118287.db2.gz HOCWPKXKMNXINF-VLXAULBPSA-N -1 0 378.450 1.476 50 0 GDAARM Cc1[nH]c(=O)[nH]c(=O)c1S(=O)(=O)[N-]c1ccc(Br)cc1F ZINC000012730911 221222279 /nfs/dbraw/zinc/22/22/79/221222279.db2.gz KQIZVMBBFZURIV-UHFFFAOYSA-N -1 0 378.179 1.074 50 0 GDAARM O=C([O-])C1CCN(C(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)CC1 ZINC000013167087 221262685 /nfs/dbraw/zinc/26/26/85/221262685.db2.gz VZPQVHMGOQONIZ-UHFFFAOYSA-N -1 0 380.466 1.798 50 0 GDAARM Cc1cc(N2C(=O)[C@@H](C)CS2(=O)=O)ccc1S(=O)(=O)[N-]c1ccccn1 ZINC000013733428 221285868 /nfs/dbraw/zinc/28/58/68/221285868.db2.gz NKVMBMAXHAWJIA-LBPRGKRZSA-N -1 0 395.462 1.503 50 0 GDAARM COc1c2c(c(Br)c(C[C@H]3CC(C(=O)[O-])=NO3)c1OC)OCO2 ZINC000015083012 221333081 /nfs/dbraw/zinc/33/30/81/221333081.db2.gz DWHDLXILBPXSJK-LURJTMIESA-N -1 0 388.170 1.967 50 0 GDAARM COc1cc2nc(O)c(C(=O)NCc3ccc4c(c3)OCO4)c([O-])c2cc1OC ZINC000018084409 221387040 /nfs/dbraw/zinc/38/70/40/221387040.db2.gz RVQZLZBKJDOZGN-UHFFFAOYSA-N -1 0 398.371 1.910 50 0 biogenic GDAARM Cc1cn(C)c(CC(=O)NCCN2CCN(c3ccccc3)CC2)c1C(=O)[O-] ZINC000064980604 136158415 /nfs/dbraw/zinc/15/84/15/136158415.db2.gz OJRQAAAIFWBMTJ-UHFFFAOYSA-N -1 0 384.480 1.513 50 0 GDAARM Nc1nc(=O)cc(N2CCC(Oc3ccc4ncccc4c3)(C(=O)[O-])CC2)[nH]1 ZINC000065404116 136163801 /nfs/dbraw/zinc/16/38/01/136163801.db2.gz UUBBNIORIBQLOE-UHFFFAOYSA-N -1 0 381.392 1.815 50 0 GDAARM CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-]c1ccc(C(=O)N(CC)CC)cc1 ZINC000032895084 221745788 /nfs/dbraw/zinc/74/57/88/221745788.db2.gz UZDAWQOSQPQBJW-UHFFFAOYSA-N -1 0 394.453 1.869 50 0 GDAARM CC(C)(C)OC(=O)N1CCN(C(=O)CN(CC(=O)[O-])c2ccccc2)CC1 ZINC000034926598 221810988 /nfs/dbraw/zinc/81/09/88/221810988.db2.gz LIDKZAIVIYATBD-UHFFFAOYSA-N -1 0 377.441 1.657 50 0 GDAARM Cc1ccc(S(=O)(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)[O-])c(C)c1 ZINC000055326029 222020274 /nfs/dbraw/zinc/02/02/74/222020274.db2.gz IQTUYZSYPYJELS-INIZCTEOSA-N -1 0 390.461 1.394 50 0 GDAARM Cc1nn(C)c(C)c1S(=O)(=O)N1CC[C@H](Cc2cccc(C(=O)[O-])c2)C1 ZINC000072126691 222208628 /nfs/dbraw/zinc/20/86/28/222208628.db2.gz BYHPQQJHERUROC-OAHLLOKOSA-N -1 0 377.466 1.988 50 0 GDAARM O=C([O-])c1cc(-c2cccc3ccnn32)cc(S(=O)(=O)N2CCOCC2)c1 ZINC000072156273 222212098 /nfs/dbraw/zinc/21/20/98/222212098.db2.gz YXLFGVSDWUYIFE-UHFFFAOYSA-N -1 0 387.417 1.720 50 0 GDAARM Cc1cccn2c(CC(=O)N3CCCn4nc(CCC(=O)[O-])cc4C3)cnc12 ZINC000072478055 222267177 /nfs/dbraw/zinc/26/71/77/222267177.db2.gz DMEADYLGQMERDN-UHFFFAOYSA-N -1 0 381.436 1.831 50 0 GDAARM Cc1nc(-c2ccccc2)[nH]c1C(=O)N1CCC2(CN(CC(=O)[O-])C(=O)O2)CC1 ZINC000077438173 222281864 /nfs/dbraw/zinc/28/18/64/222281864.db2.gz BTRDRTSXBCJENO-UHFFFAOYSA-N -1 0 398.419 1.897 50 0 GDAARM CC(=O)N1CC2(C[C@H]1C(=O)[O-])CCN(S(=O)(=O)Cc1ccccc1)CC2 ZINC000082148368 222310513 /nfs/dbraw/zinc/31/05/13/222310513.db2.gz MLGJFMXKILDDRL-INIZCTEOSA-N -1 0 380.466 1.304 50 0 GDAARM O=C([O-])c1cc(S(=O)(=O)Nc2ccc(-n3cnnn3)cc2)ccc1Cl ZINC000084475292 222315947 /nfs/dbraw/zinc/31/59/47/222315947.db2.gz MCXLYVQRCFWAIN-UHFFFAOYSA-N -1 0 379.785 1.815 50 0 GDAARM COCCN(C)S(=O)(=O)c1ccc(S(=O)(=O)[N-]c2ccncc2)cc1 ZINC000095944808 222362796 /nfs/dbraw/zinc/36/27/96/222362796.db2.gz NOVXZCSUSZTEBN-UHFFFAOYSA-N -1 0 385.467 1.149 50 0 GDAARM CN(C)c1ccc(C(=O)N2C[C@H]3COc4ccccc4C[C@@]3(C(=O)[O-])C2)cn1 ZINC000096142164 222387392 /nfs/dbraw/zinc/38/73/92/222387392.db2.gz CORABDCMMABMPM-HRAATJIYSA-N -1 0 381.432 1.926 50 0 GDAARM CC(C)n1cnnc1CN1C[C@H]2CN(C(=O)C3CCCC3)C[C@@]2(C(=O)[O-])C1 ZINC000096164530 222395316 /nfs/dbraw/zinc/39/53/16/222395316.db2.gz XOOGGIOYTMAGSI-KXBFYZLASA-N -1 0 375.473 1.394 50 0 GDAARM CCNC(=O)c1cc([N-]S(=O)(=O)[C@H](C)C(=O)N(C)C)nc2ccccc21 ZINC000170617514 222558786 /nfs/dbraw/zinc/55/87/86/222558786.db2.gz IZSKZGKJXLDOIM-LLVKDONJSA-N -1 0 378.454 1.203 50 0 GDAARM Cc1nn(CC(=O)N2Cc3ccccc3C[C@@H]2C(=O)[O-])c(=O)c2ccccc12 ZINC000237916040 534854505 /nfs/dbraw/zinc/85/45/05/534854505.db2.gz PEQZUVCNNYINGM-GOSISDBHSA-N -1 0 377.400 1.743 50 0 GDAARM CCCCn1nc(C(=O)[N-]S(=O)(=O)c2ccc(NC(C)=O)cc2)ccc1=O ZINC000006083111 570238950 /nfs/dbraw/zinc/23/89/50/570238950.db2.gz KMNBTKBZHNHYNB-UHFFFAOYSA-N -1 0 392.437 1.121 50 0 GDAARM COc1cccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4ccc(F)cc4)c(=O)c2=3)c1 ZINC000100028402 570264790 /nfs/dbraw/zinc/26/47/90/570264790.db2.gz AZNKADORJMRXGY-IRXDYDNUSA-N -1 0 397.366 1.766 50 0 GDAARM O=C(Cn1[nH][n-]c2c(=O)n(-c3ccccc3)c(=O)c1=2)Nc1cc(F)ccc1F ZINC000100033261 570265367 /nfs/dbraw/zinc/26/53/67/570265367.db2.gz FZSZHJJYCHUBPD-HOTGVXAUSA-N -1 0 385.330 1.897 50 0 GDAARM COc1ccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4ccccc4)c(=O)c2=3)cc1 ZINC000100033348 570265501 /nfs/dbraw/zinc/26/55/01/570265501.db2.gz TXWWMMXMZVDCPB-IAGOWNOFSA-N -1 0 379.376 1.627 50 0 GDAARM Cc1nc2ccccc2c(=O)n1NC(=O)c1c([O-])c2ccccc2n(C)c1=O ZINC000100589434 570273552 /nfs/dbraw/zinc/27/35/52/570273552.db2.gz CCNLVMRZZRNRCI-UHFFFAOYSA-N -1 0 376.372 1.646 50 0 GDAARM CC(=O)[N-]S(=O)(=O)c1ccc(NC(=O)c2cc(=O)[nH]c3ccccc32)cc1 ZINC000020746060 570279674 /nfs/dbraw/zinc/27/96/74/570279674.db2.gz PYQZHYMXPKLNCN-UHFFFAOYSA-N -1 0 385.401 1.605 50 0 GDAARM CSCC[C@H](NC(=O)CCc1ccc2c(c1)nc(C)c(=O)n2C)C(=O)[O-] ZINC000218203883 570327472 /nfs/dbraw/zinc/32/74/72/570327472.db2.gz IYRQWSMZTMJYIJ-ZDUSSCGKSA-N -1 0 377.466 1.497 50 0 GDAARM O=C([O-])c1cc(S(=O)(=O)N2CCC[C@@H](Oc3ncccn3)C2)ccc1F ZINC000575611698 570336108 /nfs/dbraw/zinc/33/61/08/570336108.db2.gz GHELTEVIYFGIFP-LLVKDONJSA-N -1 0 381.385 1.546 50 0 GDAARM CC1(C)N[C@H](c2ccccc2)C(=O)N1[C@@H]1C(=O)N2[C@@H]1SC(C)(C)[C@@H]2C(=O)[O-] ZINC000004102186 570357443 /nfs/dbraw/zinc/35/74/43/570357443.db2.gz DXVUYOAEDJXBPY-NFFDBFGFSA-N -1 0 389.477 1.411 50 0 world GDAARM O=C(C[C@@H]1SC(=O)[N-]C1=O)N1CCN(Cc2nc3ccccc3s2)CC1 ZINC000024573733 570386036 /nfs/dbraw/zinc/38/60/36/570386036.db2.gz JFBVGOWMKYWONS-ZDUSSCGKSA-N -1 0 390.490 1.682 50 0 GDAARM COC(=O)c1[n-]n(-c2ccccc2)c2c(O)n(-c3ccccc3OC)c(=O)c1-2 ZINC000100622572 570416483 /nfs/dbraw/zinc/41/64/83/570416483.db2.gz TYDWHRGWXYQNIK-RDJZCZTQSA-N -1 0 379.372 1.602 50 0 GDAARM O=C([N-]N1C(=O)NC2(CCCCC2)C1=O)c1ccc(Cn2ccccc2=O)o1 ZINC000029338455 570472363 /nfs/dbraw/zinc/47/23/63/570472363.db2.gz ASIYMRFUXMQWDF-UHFFFAOYSA-N -1 0 384.392 1.389 50 0 GDAARM COCCn1c(=O)c2ccc(C(=O)N3CCC(C(N)=O)CC3)cc2[n-]c1=S ZINC000002969765 570523628 /nfs/dbraw/zinc/52/36/28/570523628.db2.gz SRUIVXZXZLIZLQ-UHFFFAOYSA-N -1 0 390.465 1.043 50 0 GDAARM Cc1ccccc1Cn1c(S[C@H](C)C(=O)[O-])nc2c1c(=O)n(C)c(=O)n2C ZINC000005093153 570541540 /nfs/dbraw/zinc/54/15/40/570541540.db2.gz VZSDNBRARPSZFB-LLVKDONJSA-N -1 0 388.449 1.356 50 0 biogenic GDAARM CCCC[C@H](NC(=O)CCN1C(=O)[C@@H]2Cc3ccccc3CN2C1=O)C(=O)[O-] ZINC000005428738 570591158 /nfs/dbraw/zinc/59/11/58/570591158.db2.gz RQBWOIMJRLKZBK-HOTGVXAUSA-N -1 0 387.436 1.525 50 0 GDAARM COC(=O)c1ccc2c(c1)[n-]c(=S)n(CCC(=O)N1CCOCC1)c2=O ZINC000012416128 570669958 /nfs/dbraw/zinc/66/99/58/570669958.db2.gz GNZAZPZMZRXRPN-UHFFFAOYSA-N -1 0 377.422 1.095 50 0 GDAARM COc1cccc(-c2nc3c([nH]c(=O)n3-c3ccc(F)cc3)c(C(N)=O)n2)c1[O-] ZINC000004338236 570677529 /nfs/dbraw/zinc/67/75/29/570677529.db2.gz XXVNWWOSCPFFHQ-UHFFFAOYSA-N -1 0 395.350 1.728 50 0 GDAARM CC(=O)N1CCc2ccccc2[C@H]1c1c([O-])[nH]c(=O)n(-c2ccc(F)cc2)c1=O ZINC000100977912 570784389 /nfs/dbraw/zinc/78/43/89/570784389.db2.gz UFLAZOFIDRSXBZ-SFHVURJKSA-N -1 0 395.390 1.865 50 0 GDAARM CCOC(=O)[C@@H]1[C@H](c2ccc(C(=O)[O-])cc2)NC(=O)N[C@]1(O)C(F)(F)F ZINC000005952916 570808291 /nfs/dbraw/zinc/80/82/91/570808291.db2.gz NSYSPZQPINRYSS-PKFCDNJMSA-N -1 0 376.287 1.169 50 0 GDAARM O=c1[nH]c(=O)n(Cc2ccccc2)c([O-])c1C1=NN[C@@H](c2cccc(O)c2)C1 ZINC000101762533 570833001 /nfs/dbraw/zinc/83/30/01/570833001.db2.gz MMIGLRARKVVVCF-OAHLLOKOSA-N -1 0 378.388 1.435 50 0 GDAARM CC(C)CNC(=O)COC(=O)c1ccccc1SC[C@@]1(C)NC(=O)NC1=O ZINC000007411106 570838442 /nfs/dbraw/zinc/83/84/42/570838442.db2.gz RSNXEMXJYXVXNG-GOSISDBHSA-N -1 0 393.465 1.306 50 0 GDAARM Cc1nn(-c2ccccc2)c(C)c1S(=O)(=O)N1CCOC[C@@H]1CC(=O)[O-] ZINC000072146570 570872078 /nfs/dbraw/zinc/87/20/78/570872078.db2.gz YVYQQUAGZSPBPA-HNNXBMFYSA-N -1 0 379.438 1.353 50 0 GDAARM Cn1cc(C(=O)[O-])c(C(=O)N2CCN(Cc3c(F)cccc3Cl)CC2)n1 ZINC000020614908 570952037 /nfs/dbraw/zinc/95/20/37/570952037.db2.gz DTNULPUSAQVIOB-UHFFFAOYSA-N -1 0 380.807 1.869 50 0 GDAARM CCn1c(=O)c([C@@H]2OC(=O)c3c2ccc(OC)c3OC)c([O-])nc1SC ZINC000002145379 570971256 /nfs/dbraw/zinc/97/12/56/570971256.db2.gz WQIVEIKTKVFONQ-GFCCVEGCSA-N -1 0 378.406 1.968 50 0 biogenic GDAARM O=C([O-])[C@@H]1CC2(CN1C(=O)C1CC1)CCN(C(=O)NCc1ccco1)CC2 ZINC000091305910 571002972 /nfs/dbraw/zinc/00/29/72/571002972.db2.gz DKAZBEWIZXLKEM-HNNXBMFYSA-N -1 0 375.425 1.667 50 0 GDAARM COCC(=O)N1CCc2[nH]cnc2C12CCN(C(=O)c1ccccc1O)CC2 ZINC000091460239 571009444 /nfs/dbraw/zinc/00/94/44/571009444.db2.gz RNCZPJHQKFXHEE-UHFFFAOYSA-N -1 0 384.436 1.278 50 0 GDAARM Cc1nn(C)c2nc(C)cc(C(=O)N3C[C@@H](c4cccnc4)[C@H](C(=O)[O-])C3)c12 ZINC000091645142 571021998 /nfs/dbraw/zinc/02/19/98/571021998.db2.gz QOPAJPNYGDVICL-JKSUJKDBSA-N -1 0 379.420 1.921 50 0 GDAARM O=C([O-])CC[C@@H]1CN(C(=O)c2ccc(C(=O)[O-])s2)CC[C@@H]1[NH+]1CCOCC1 ZINC000091736429 571028337 /nfs/dbraw/zinc/02/83/37/571028337.db2.gz JBSWDLUPOAHLAI-OLZOCXBDSA-N -1 0 396.465 1.474 50 0 GDAARM O=C([O-])c1cccc(C(=O)NC2CCN(S(=O)(=O)C3CCOCC3)CC2)c1 ZINC000517029915 600609006 /nfs/dbraw/zinc/60/90/06/600609006.db2.gz JIWKYLYKHDINLS-UHFFFAOYSA-N -1 0 396.465 1.088 50 0 GDAARM O=C([O-])CN(C(=O)[C@@H]1CC(=O)N(c2cc(F)cc(F)c2)C1)C1CCOCC1 ZINC000299747638 600960529 /nfs/dbraw/zinc/96/05/29/600960529.db2.gz DNCYEYFKVWFFGO-LLVKDONJSA-N -1 0 382.363 1.410 50 0 GDAARM COc1ccc([C@@H](CC(=O)[O-])NC(=O)CN2CCCCCC2=O)cc1OC ZINC000262352414 604664942 /nfs/dbraw/zinc/66/49/42/604664942.db2.gz GEFIAEZIGSVTJK-CQSZACIVSA-N -1 0 378.425 1.738 50 0 GDAARM Cc1ccc([N-]S(=O)(=O)c2ccsc2C(=O)N[C@@H]2COC[C@H]2O)cc1 ZINC000574039936 651511566 /nfs/dbraw/zinc/51/15/66/651511566.db2.gz CGBYAXBZMPUREW-CHWSQXEVSA-N -1 0 382.463 1.347 50 0 GDAARM CCC[C@H](NC(=O)c1cnc(C(=O)[O-])cn1)C(=O)N1CCc2sccc2C1 ZINC000263315086 962456790 /nfs/dbraw/zinc/45/67/90/962456790.db2.gz YSCZIEDSZGMCPX-LBPRGKRZSA-N -1 0 388.449 1.720 50 0 GDAARM CNC(=O)[C@H]1CCCN1C(=O)c1ccc(-n2nc(C)c(CCC(=O)[O-])c2C)cc1 ZINC000299747056 962939239 /nfs/dbraw/zinc/93/92/39/962939239.db2.gz BZSPXCHGYBMJQB-GOSISDBHSA-N -1 0 398.463 1.857 50 0 GDAARM CN1C(=O)C[C@@H](C(=O)[O-])C12CCN(C(=O)NCCc1ccccc1F)CC2 ZINC000095383409 530044663 /nfs/dbraw/zinc/04/46/63/530044663.db2.gz PAFNMEOTBUXXDU-AWEZNQCLSA-N -1 0 377.416 1.475 50 0 GDAARM CN1C(=O)C[C@H](C(=O)[O-])C12CCN(C(=O)c1ccccc1OC(F)F)CC2 ZINC000095374597 530045078 /nfs/dbraw/zinc/04/50/78/530045078.db2.gz OUYRZPCIGTUXRZ-GFCCVEGCSA-N -1 0 382.363 1.826 50 0 GDAARM COc1ccc(CNS(=O)(=O)c2ccc3c(c2)S(=O)(=O)[N-]C=N3)cc1 ZINC000009002245 530550269 /nfs/dbraw/zinc/55/02/69/530550269.db2.gz CBDHTFOMOQNPAZ-UHFFFAOYSA-N -1 0 381.435 1.125 50 0 GDAARM CCn1cc([N-]S(=O)(=O)c2ccc(Br)s2)c(C(=O)NC)n1 ZINC000002804764 530532757 /nfs/dbraw/zinc/53/27/57/530532757.db2.gz KAYXRILITYGPMW-UHFFFAOYSA-N -1 0 393.288 1.887 50 0 GDAARM O=C([O-])C1CCN([C@@H]2CC(=O)N(c3cccc(Br)c3)C2=O)CC1 ZINC000019804894 530568154 /nfs/dbraw/zinc/56/81/54/530568154.db2.gz IQMQJQPMOWHYGS-CYBMUJFWSA-N -1 0 381.226 1.878 50 0 GDAARM CCOCCNS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2ccccn2)c1 ZINC000170600983 530585991 /nfs/dbraw/zinc/58/59/91/530585991.db2.gz LCUMMQQYINBYJI-UHFFFAOYSA-N -1 0 385.467 1.197 50 0 GDAARM Cc1ccc(S(=O)(=O)N2CCc3nc4cc[n-]n4c(=O)c3C2)cc1Cl ZINC000102990745 530831363 /nfs/dbraw/zinc/83/13/63/530831363.db2.gz WWYPPEPTHDQCPS-UHFFFAOYSA-N -1 0 378.841 1.731 50 0 GDAARM O=C([O-])[C@@H]1CCCN1C(=O)[C@H]1CCN(c2ccccc2Br)C1=O ZINC000238076404 531054554 /nfs/dbraw/zinc/05/45/54/531054554.db2.gz UQMBESWRBRFWMN-MFKMUULPSA-N -1 0 381.226 1.878 50 0 GDAARM Cc1nc(C(=O)N2CSC[C@H]2C(=O)N2CCSCC2)ccc1C(=O)[O-] ZINC000263321011 531142637 /nfs/dbraw/zinc/14/26/37/531142637.db2.gz IWXZAQOGLZPKAV-ZDUSSCGKSA-N -1 0 381.479 1.179 50 0 GDAARM O=C([O-])[C@H]1CN(C(=O)[C@@H]2CCN(c3ccccc3Br)C2=O)CCO1 ZINC000299750209 222782775 /nfs/dbraw/zinc/78/27/75/222782775.db2.gz MWAGEENMDXJTFN-GXFFZTMASA-N -1 0 397.225 1.114 50 0 GDAARM CCOCCNS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2cccnc2)cc1 ZINC000297728801 531815640 /nfs/dbraw/zinc/81/56/40/531815640.db2.gz CIAQIWQOLTZUGW-UHFFFAOYSA-N -1 0 385.467 1.197 50 0 GDAARM COCCN(C)S(=O)(=O)c1cccc(S(=O)(=O)[N-]c2cccnc2)c1 ZINC000297878617 531829853 /nfs/dbraw/zinc/82/98/53/531829853.db2.gz NGCQYWXCZQAQSG-UHFFFAOYSA-N -1 0 385.467 1.149 50 0 GDAARM Cn1nnnc1SCC(=O)NC(C(=O)[O-])(c1ccccc1)c1ccccc1 ZINC000001113285 212218833 /nfs/dbraw/zinc/21/88/33/212218833.db2.gz PZVHGNFNSBDJIR-UHFFFAOYSA-N -1 0 383.433 1.447 50 0 GDAARM Cn1c(=O)c(C(=O)[N-]S(=O)(=O)c2ccccc2Cl)cn1-c1ccccc1 ZINC000001067665 212212563 /nfs/dbraw/zinc/21/25/63/212212563.db2.gz VGRORGFRRHMMEN-UHFFFAOYSA-N -1 0 391.836 1.948 50 0 GDAARM C[C@]1(C(=O)[O-])CCN(C(=O)c2cc(S(C)(=O)=O)ccc2Br)C1 ZINC000328593060 212083023 /nfs/dbraw/zinc/08/30/23/212083023.db2.gz OSTBGJQARUGZPT-AWEZNQCLSA-N -1 0 390.255 1.789 50 0 GDAARM C[C@@H](NC(=O)C[C@@H](CNC(=O)[C@@H]1CSCN1)c1ccc(Cl)cc1)C(=O)[O-] ZINC000008739362 221054087 /nfs/dbraw/zinc/05/40/87/221054087.db2.gz VEBIKIOWEFRUDP-OSMZGAPFSA-N -1 0 399.900 1.182 50 0 biogenic GDAARM Cn1c2nc(Nc3ccc(Cl)c(Cl)c3)n(CC(=O)[O-])c2c(=O)n(C)c1=O ZINC000011693976 221121350 /nfs/dbraw/zinc/12/13/50/221121350.db2.gz AXQZWTSSUGIOGO-UHFFFAOYSA-N -1 0 398.206 1.569 50 0 GDAARM Cn1c2nc(Nc3cc(Cl)ccc3Cl)n(CC(=O)[O-])c2c(=O)n(C)c1=O ZINC000011693979 221122180 /nfs/dbraw/zinc/12/21/80/221122180.db2.gz HXVLEYWDJNICTD-UHFFFAOYSA-N -1 0 398.206 1.569 50 0 GDAARM Cc1ccnc([N-]S(=O)(=O)c2ccc(NC(=O)c3csnn3)cc2)n1 ZINC000011914892 221135920 /nfs/dbraw/zinc/13/59/20/221135920.db2.gz AZUPAOZIPBUWPT-UHFFFAOYSA-N -1 0 376.423 1.690 50 0 GDAARM O=C([O-])c1cc(S(=O)(=O)N2CCN(Cc3ccsc3)CC2)ccc1O ZINC000013315238 221265614 /nfs/dbraw/zinc/26/56/14/221265614.db2.gz ZCKJNZCPROFKHI-UHFFFAOYSA-N -1 0 382.463 1.658 50 0 GDAARM COc1ccccc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)O[C@@H](C)C(N)=O)c1 ZINC000013061922 221258632 /nfs/dbraw/zinc/25/86/32/221258632.db2.gz BOAATGQZZYANPN-LBPRGKRZSA-N -1 0 392.433 1.835 50 0 GDAARM COc1ccccc1[N-]S(=O)(=O)c1cccc(NC(=O)CNC(N)=O)c1 ZINC000013095373 221260697 /nfs/dbraw/zinc/26/06/97/221260697.db2.gz RAGNAGHFDMPATB-UHFFFAOYSA-N -1 0 378.410 1.103 50 0 GDAARM CS(=O)(=O)[N-]c1nc2ccc(C(=O)N3CCC(C(N)=O)CC3)cc2s1 ZINC000013693401 221282588 /nfs/dbraw/zinc/28/25/88/221282588.db2.gz KWOGMLFQKQUWKQ-UHFFFAOYSA-N -1 0 382.467 1.005 50 0 GDAARM CCCC(=O)Nc1ccc(N2CCN(CC(=O)N(C)C)CC2)cc1C(=O)[O-] ZINC000064589381 136157095 /nfs/dbraw/zinc/15/70/95/136157095.db2.gz HWWYQPAOYPSQSX-UHFFFAOYSA-N -1 0 376.457 1.334 50 0 GDAARM CCCC(=O)Nc1ccc(N2CCN(CC(=O)NC(C)C)CC2)cc1C(=O)[O-] ZINC000064589362 136157081 /nfs/dbraw/zinc/15/70/81/136157081.db2.gz ZBFYPOKISHWQMI-UHFFFAOYSA-N -1 0 390.484 1.770 50 0 GDAARM CC(C)(C(=O)[O-])c1cnc(N2CCC[C@](C)(CO)C2)nc1N1CCOCC1 ZINC000096148666 136184544 /nfs/dbraw/zinc/18/45/44/136184544.db2.gz WCVUVIWXUJADIL-IBGZPJMESA-N -1 0 378.473 1.274 50 0 GDAARM O=C([O-])[C@H](Cc1ccccc1)NC(=O)Cn1nc(-c2ccccc2F)ccc1=O ZINC000049547950 222001363 /nfs/dbraw/zinc/00/13/63/222001363.db2.gz DMSHJYSWKQMDLE-SFHVURJKSA-N -1 0 395.390 1.862 50 0 GDAARM O=C([O-])CCNC(=O)Cn1nc(-c2ccc(Br)cc2)ccc1=O ZINC000061720522 222062599 /nfs/dbraw/zinc/06/25/99/222062599.db2.gz QYTCIGAHAYPJBT-UHFFFAOYSA-N -1 0 380.198 1.264 50 0 GDAARM COc1ccc([N-]S(=O)(=O)c2cc3c(=O)n(C)nc(C)n3c2)cc1OC ZINC000065246962 222115445 /nfs/dbraw/zinc/11/54/45/222115445.db2.gz SVZMOMZEOQMABQ-UHFFFAOYSA-N -1 0 378.410 1.159 50 0 GDAARM Cc1ccc2oc(=O)n(CCC(=O)N3CCCn4nc(C(=O)[O-])cc4C3)c2c1 ZINC000065382905 222126829 /nfs/dbraw/zinc/12/68/29/222126829.db2.gz DPAADDBZENPYDQ-UHFFFAOYSA-N -1 0 384.392 1.620 50 0 GDAARM O=C(CCc1cc(=O)[n-]o1)N1CCC(c2n[nH]c(=O)n2-c2ccccc2)CC1 ZINC000067605387 222149924 /nfs/dbraw/zinc/14/99/24/222149924.db2.gz CXYYVPXLGDOOTN-UHFFFAOYSA-N -1 0 383.408 1.593 50 0 GDAARM Nc1nc2cc(C(=O)N3CCC[C@H](Cn4cc(C(=O)[O-])nn4)C3)ccc2s1 ZINC000067821477 222161550 /nfs/dbraw/zinc/16/15/50/222161550.db2.gz MGBIGYJSFRXIOD-JTQLQIEISA-N -1 0 386.437 1.721 50 0 GDAARM CC[C@H](C)[C@H](NC(=O)Cn1nc(-c2ccc(OC)cc2F)ccc1=O)C(=O)[O-] ZINC000071332977 222181666 /nfs/dbraw/zinc/18/16/66/222181666.db2.gz ZWYBENRYRSAWEE-VOJFVSQTSA-N -1 0 391.399 1.674 50 0 GDAARM Cc1ccc(NC(=O)[C@@H]2C[C@H](C(=O)[O-])CN(C(=O)c3cccc(O)c3)C2)cn1 ZINC000072140521 222211381 /nfs/dbraw/zinc/21/13/81/222211381.db2.gz IOAVVJCKXPHCPV-CABCVRRESA-N -1 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COc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4ccc(C)cc4)c=3c2=O)cc1 ZINC000100036899 570265390 /nfs/dbraw/zinc/26/53/90/570265390.db2.gz WKKFXMDIYWWELF-ROUUACIJSA-N -1 0 393.403 1.936 50 0 GDAARM COc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4ccc(C)cc4)c=3c2=O)cc1 ZINC000100036896 570265430 /nfs/dbraw/zinc/26/54/30/570265430.db2.gz WKKFXMDIYWWELF-ZWKOTPCHSA-N -1 0 393.403 1.936 50 0 GDAARM CCNC(=O)CN1CCN([C@H](C(=O)[O-])c2c[nH]c3ccc(Cl)cc32)CC1 ZINC000020733060 570277515 /nfs/dbraw/zinc/27/75/15/570277515.db2.gz FHQGSPLOZXCDCE-KRWDZBQOSA-N -1 0 378.860 1.701 50 0 GDAARM Cc1cc(C(=O)[O-])cc(S(=O)(=O)Nc2cccc(-c3nnnn3C)c2)c1C ZINC000022200946 570307279 /nfs/dbraw/zinc/30/72/79/570307279.db2.gz PLDGTZPXECVPBK-UHFFFAOYSA-N -1 0 387.421 1.993 50 0 GDAARM O=C([O-])c1cc(S(=O)(=O)N2CCC[C@H](Oc3ncccn3)C2)ccc1F ZINC000575611699 570336061 /nfs/dbraw/zinc/33/60/61/570336061.db2.gz GHELTEVIYFGIFP-NSHDSACASA-N -1 0 381.385 1.546 50 0 GDAARM CC[C@@H](C(=O)N1CCO[C@H](CC(=O)[O-])C1)n1nnc(-c2ccc(Cl)cc2)n1 ZINC000262715977 570460769 /nfs/dbraw/zinc/46/07/69/570460769.db2.gz GSEIYICXWZYURM-KGLIPLIRSA-N -1 0 393.831 1.647 50 0 GDAARM COc1cc2ncn(CCCC(=O)N3CCC[C@H]3C(=O)[O-])c(=O)c2cc1OC ZINC000262718174 570461913 /nfs/dbraw/zinc/46/19/13/570461913.db2.gz TYDQEVNLMBCBJF-AWEZNQCLSA-N -1 0 389.408 1.270 50 0 GDAARM O=C1N[C@H](c2cccc(O)c2)C(=C([O-])c2cccnc2)[C@](O)(C(F)(F)F)N1 ZINC000004269936 570539997 /nfs/dbraw/zinc/53/99/97/570539997.db2.gz IKZIMWGLKBWNBI-ZENOOKHLSA-N -1 0 381.310 1.891 50 0 GDAARM O=C([O-])[C@@H]1CCCN1C(=O)[C@H]1CC[C@H](Cn2nnc3ccccc3c2=O)CC1 ZINC000584906346 570629402 /nfs/dbraw/zinc/62/94/02/570629402.db2.gz NOQYWZQPOUTWGT-ZQIUZPCESA-N -1 0 384.436 1.674 50 0 GDAARM CCOc1cccc(N2C(=O)[N-]C(=O)C(=C(C)NCCc3c[nH]cn3)C2=O)c1 ZINC000006907942 570698825 /nfs/dbraw/zinc/69/88/25/570698825.db2.gz FNWNXPSWTMRWGL-FOWTUZBSSA-N -1 0 383.408 1.498 50 0 GDAARM CCOc1cc(C(=O)N2CCO[C@H](C(=O)[O-])C2)ccc1OCc1cccnc1 ZINC000262938944 570700682 /nfs/dbraw/zinc/70/06/82/570700682.db2.gz 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COc1ccc(C(=O)N2CCC3(CCC(=O)N(CC(=O)[O-])C3)CC2)c(O)c1 ZINC000091441384 571008003 /nfs/dbraw/zinc/00/80/03/571008003.db2.gz HZNNQINTJRSAOW-UHFFFAOYSA-N -1 0 376.409 1.330 50 0 GDAARM COc1ccc(C(=O)N2CCC3(CCC(=O)N(CC(=O)[O-])C3)CC2)cc1F ZINC000091469055 571009928 /nfs/dbraw/zinc/00/99/28/571009928.db2.gz DDXPXSPIQYMNIP-UHFFFAOYSA-N -1 0 378.400 1.764 50 0 GDAARM C[C@H]1Cc2cc(C(=O)N(CC(=O)[O-])C3CCOCC3)ccc2N1S(C)(=O)=O ZINC000576170995 600959728 /nfs/dbraw/zinc/95/97/28/600959728.db2.gz ZDMKVHIMOCSRBZ-LBPRGKRZSA-N -1 0 396.465 1.103 50 0 GDAARM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)CN1C(=O)NC2(CCCCC2)C1=O ZINC000299751800 950529900 /nfs/dbraw/zinc/52/99/00/950529900.db2.gz RWBRNFNZQMJHHA-MJBXVCDLSA-N -1 0 377.441 1.485 50 0 GDAARM O=C([O-])[C@@H](Cc1ccncc1)NS(=O)(=O)c1cccc2c1OCCCO2 ZINC000653495974 954180300 /nfs/dbraw/zinc/18/03/00/954180300.db2.gz AOLALWKPHBFCHY-CYBMUJFWSA-N -1 0 378.406 1.217 50 0 GDAARM O=C([O-])[C@H]1CCCN(S(=O)(=O)[C@H]2CCCN(C(=O)c3ccccc3)C2)C1 ZINC000527368083 968395064 /nfs/dbraw/zinc/39/50/64/968395064.db2.gz HPMWCSWGVUGXAB-HOTGVXAUSA-N -1 0 380.466 1.418 50 0 GDAARM CC[C@@H](C)N(CC(=O)[O-])S(=O)(=O)c1ccc(C(=O)N2CCCC2)c(F)c1 ZINC000484913407 974223098 /nfs/dbraw/zinc/22/30/98/974223098.db2.gz VLFMWXILSTZKOK-GFCCVEGCSA-N -1 0 386.445 1.936 50 0 GDAARM CCc1nnc([N-]S(=O)(=O)c2ccc(NC(=O)CCC(=O)[O-])cc2)s1 ZINC000002350447 530531718 /nfs/dbraw/zinc/53/17/18/530531718.db2.gz UJNCDCNAKQUXAW-UHFFFAOYSA-N -1 0 384.439 1.705 50 0 GDAARM CC(=O)[N-]S(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC000003305946 530533641 /nfs/dbraw/zinc/53/36/41/530533641.db2.gz ASRWEGOZFDLYGZ-UHFFFAOYSA-N -1 0 390.389 1.590 50 0 GDAARM Cc1oc(-c2ccno2)cc1S(=O)(=O)[N-]c1ccc(S(N)(=O)=O)cc1 ZINC000032971296 530610652 /nfs/dbraw/zinc/61/06/52/530610652.db2.gz FEBHKECUEHFORK-UHFFFAOYSA-N -1 0 383.407 1.691 50 0 GDAARM Nc1nnc(SCC(=O)N2C[C@@H](c3ccc(F)cc3)[C@H](C(=O)[O-])C2)s1 ZINC000091518965 530809635 /nfs/dbraw/zinc/80/96/35/530809635.db2.gz KXHUBRYLBLBLTC-WDEREUQCSA-N -1 0 382.442 1.678 50 0 GDAARM O=C(Cc1ccccc1Cl)N1CCN(S(=O)(=O)[N-]CC(F)(F)F)CC1 ZINC000195140574 531016340 /nfs/dbraw/zinc/01/63/40/531016340.db2.gz NMELGKSWHPYHKM-UHFFFAOYSA-N -1 0 399.822 1.423 50 0 GDAARM O=C([O-])CN1CCN(S(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)CC1 ZINC000238160164 531055164 /nfs/dbraw/zinc/05/51/64/531055164.db2.gz CBBDAUJHLZKIFU-UHFFFAOYSA-N -1 0 386.779 1.750 50 0 GDAARM C[C@H](NS(=O)(=O)c1cccs1)C(=O)N[C@@H]1CCCCCC[C@H]1C(=O)[O-] ZINC000252511476 531091436 /nfs/dbraw/zinc/09/14/36/531091436.db2.gz HEBWAQMHVVNQHA-YNEHKIRRSA-N -1 0 388.511 1.955 50 0 GDAARM CCC[C@H](C(=O)OCC)S(=O)(=O)[N-]c1cccn(CC(F)(F)F)c1=O ZINC000253424146 531091859 /nfs/dbraw/zinc/09/18/59/531091859.db2.gz AYEDJMMGYTYKSB-LLVKDONJSA-N -1 0 384.376 1.884 50 0 GDAARM O=C([O-])[C@@H]1CCCN1C(=O)CS(=O)(=O)Cc1cccc(Br)c1 ZINC000262064084 531106921 /nfs/dbraw/zinc/10/69/21/531106921.db2.gz ARCILMODRGOPPI-LBPRGKRZSA-N -1 0 390.255 1.440 50 0 GDAARM O=C([O-])C[C@H](NC(=O)[C@@H]1CCS(=O)(=O)C1)c1cccc(Br)c1 ZINC000299752890 222784675 /nfs/dbraw/zinc/78/46/75/222784675.db2.gz VWRZXYCDUBJMIF-PWSUYJOCSA-N -1 0 390.255 1.516 50 0 GDAARM CSc1ncc(N2CCOCC2)c([N-]S(=O)(=O)c2ccc(N)cc2)n1 ZINC000000626161 212165719 /nfs/dbraw/zinc/16/57/19/212165719.db2.gz KBXAVPGIUCWTPU-UHFFFAOYSA-N -1 0 381.483 1.418 50 0 GDAARM COC(=O)C[C@@H](c1ccc(C(=O)[O-])cc1)c1c(=O)[nH]cc(C(=O)OC)c1O ZINC000217993200 212112544 /nfs/dbraw/zinc/11/25/44/212112544.db2.gz GXPQDZBVMJKWOE-NSHDSACASA-N -1 0 375.333 1.260 50 0 biogenic GDAARM CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)[O-] ZINC000003791297 220664859 /nfs/dbraw/zinc/66/48/59/220664859.db2.gz GBXSMTUPTTWBMN-XIRDDKMYSA-N -1 0 376.453 1.605 50 0 fda GDAARM COc1ccc2c(cc(C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)[O-])n2C)c1 ZINC000004000244 220670786 /nfs/dbraw/zinc/67/07/86/220670786.db2.gz KCOXVVKMJNANMH-WFASDCNBSA-N -1 0 389.452 1.921 50 0 biogenic GDAARM O=C([O-])CNC(=O)c1ccc(N2C(=O)[C@@H]3Cc4ccccc4CN3C2=O)cc1 ZINC000005423269 220865992 /nfs/dbraw/zinc/86/59/92/220865992.db2.gz YVVYPEGSUZUDEJ-INIZCTEOSA-N -1 0 379.372 1.395 50 0 GDAARM COC(=O)c1ccc(OC)c([N-]S(=O)(=O)c2ccc(-n3cnnn3)cc2)c1 ZINC000012371152 221186848 /nfs/dbraw/zinc/18/68/48/221186848.db2.gz SXBLTCUCUIZNPG-UHFFFAOYSA-N -1 0 389.393 1.258 50 0 GDAARM O=C(CCn1[n-]c(=O)ccc1=O)Nc1nc(-c2ccc(F)c(F)c2)cs1 ZINC000012787686 221231047 /nfs/dbraw/zinc/23/10/47/221231047.db2.gz XCYUIHLONCTGHQ-UHFFFAOYSA-N -1 0 378.360 1.967 50 0 GDAARM NS(=O)(=O)c1cccc(NS(=O)(=O)c2ccc(CCC(=O)[O-])cc2)c1 ZINC000013078452 221260887 /nfs/dbraw/zinc/26/08/87/221260887.db2.gz CLVBWNDHMLJUHY-UHFFFAOYSA-N -1 0 384.435 1.152 50 0 GDAARM NC(=O)c1ccc(CNC(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)[O-])cc1 ZINC000013236856 221263677 /nfs/dbraw/zinc/26/36/77/221263677.db2.gz ULCFYBFWEXGLCV-QGZVFWFLSA-N -1 0 380.404 1.762 50 0 GDAARM O=c1nc(NCCN2CCOCC2)[n-]nc1Cc1ccc(Cl)cc1Cl ZINC000013629460 221277632 /nfs/dbraw/zinc/27/76/32/221277632.db2.gz JWTLQKSHHWPXAG-UHFFFAOYSA-N -1 0 384.267 1.807 50 0 GDAARM O=C([O-])c1nccnc1C(=O)Nc1ccc(N2CCCCS2(=O)=O)cc1 ZINC000071284185 136165568 /nfs/dbraw/zinc/16/55/68/136165568.db2.gz HGNYJAKXCVIBGT-UHFFFAOYSA-N -1 0 376.394 1.357 50 0 GDAARM CC(C)(C(=O)[O-])c1cnc(NCC2(O)CCCCC2)nc1N1CCOCC1 ZINC000096140122 136184347 /nfs/dbraw/zinc/18/43/47/136184347.db2.gz IYUMEXDMYXMEGJ-UHFFFAOYSA-N -1 0 378.473 1.783 50 0 GDAARM C[C@H](O)C1CCN(c2ncc(C(C)(C)C(=O)[O-])c(N3CCOCC3)n2)CC1 ZINC000096180254 136185053 /nfs/dbraw/zinc/18/50/53/136185053.db2.gz APQBJPGPWODCOK-ZDUSSCGKSA-N -1 0 378.473 1.273 50 0 GDAARM COCCCNC(=O)CCc1nnc(-c2cc(OC)cc(OC)c2)[n-]c1=O ZINC000034768194 221805564 /nfs/dbraw/zinc/80/55/64/221805564.db2.gz SQBIKGNHPRZNMY-UHFFFAOYSA-N -1 0 376.413 1.347 50 0 GDAARM COc1cc([N-]S(=O)(=O)c2cc3c(=O)n(C)nc(C)n3c2)cc(OC)c1 ZINC000065246974 222114859 /nfs/dbraw/zinc/11/48/59/222114859.db2.gz VHOOUTCXSYPKBU-UHFFFAOYSA-N -1 0 378.410 1.159 50 0 GDAARM O=C([O-])c1cn(C[C@@H]2CCCN(S(=O)(=O)/C=C/c3ccccc3)C2)nn1 ZINC000065463073 222132246 /nfs/dbraw/zinc/13/22/46/222132246.db2.gz BJLLXJBEZUMDMJ-HQPKTYMTSA-N -1 0 376.438 1.689 50 0 GDAARM COc1ccc(-c2ccc(=O)n(CC(=O)N[C@H](CCSC)C(=O)[O-])n2)cc1 ZINC000071328853 222181815 /nfs/dbraw/zinc/18/18/15/222181815.db2.gz WYBQQYOEINDFGU-OAHLLOKOSA-N -1 0 391.449 1.241 50 0 GDAARM CC[C@H](Sc1n[nH]c(=O)[n-]c1=O)C(=O)Nc1c(F)c(F)cc(F)c1F ZINC000071405386 222184410 /nfs/dbraw/zinc/18/44/10/222184410.db2.gz RTEGFIUQOAFRAE-LURJTMIESA-N -1 0 378.307 1.936 50 0 GDAARM CC(C)NS(=O)(=O)c1cc(C(=O)[O-])cc(-n2nc(-c3ccco3)nc2N)c1 ZINC000071479693 222186211 /nfs/dbraw/zinc/18/62/11/222186211.db2.gz BEZNZAJOXFRSSM-UHFFFAOYSA-N -1 0 391.409 1.494 50 0 GDAARM Cc1nc(C(=O)N2CC3(C[C@@H]2C(=O)[O-])CCN(C(=O)C2CC2)CC3)c(C)o1 ZINC000072427367 222259398 /nfs/dbraw/zinc/25/93/98/222259398.db2.gz WFVBGZROKNUAHA-CQSZACIVSA-N -1 0 375.425 1.609 50 0 GDAARM COc1ccc2c(ccn2CCC(=O)N[C@@H](CCCNC(N)=O)C(=O)[O-])c1 ZINC000094992925 222329259 /nfs/dbraw/zinc/32/92/59/222329259.db2.gz YTSGVCSORUNEDG-AWEZNQCLSA-N -1 0 376.413 1.058 50 0 GDAARM CC(=O)N[C@H](C(=O)SC[C@@H](C)C(=O)N1CCC[C@@H]1C(=O)[O-])c1ccccc1 ZINC000095918256 222361047 /nfs/dbraw/zinc/36/10/47/222361047.db2.gz NVEUJCXXXBMFGU-WQVCFCJDSA-N -1 0 392.477 1.835 50 0 GDAARM COc1ncc([N-]S(=O)(=O)c2ccc3c(c2)OCCO3)c(N2CCCC2)n1 ZINC000096121397 222384397 /nfs/dbraw/zinc/38/43/97/222384397.db2.gz ZGBLJTOCZFUGIS-UHFFFAOYSA-N -1 0 392.437 1.657 50 0 GDAARM CCS(=O)(=O)N1C[C@@H]2CN(c3nc4ccccc4s3)C[C@]2(C(=O)[O-])C1 ZINC000096153462 222391273 /nfs/dbraw/zinc/39/12/73/222391273.db2.gz YEXBJPYDUUFNKW-ZBEGNZNMSA-N -1 0 381.479 1.469 50 0 GDAARM COC(=O)C[C@H](c1ccc(OC)cc1)c1c(O)cc(C)n(CC(=O)[O-])c1=O ZINC000096222496 222399161 /nfs/dbraw/zinc/39/91/61/222399161.db2.gz FYDNBNBMNQDKPC-CQSZACIVSA-N -1 0 375.377 1.651 50 0 biogenic GDAARM O=C([O-])[C@H](Cc1ccc(O)cc1)NC(=O)N1CCC(C(=O)N2CCCC2)CC1 ZINC000426531056 534528592 /nfs/dbraw/zinc/52/85/92/534528592.db2.gz VZGVHEVNFSVTRN-KRWDZBQOSA-N -1 0 389.452 1.432 50 0 GDAARM O=C([O-])c1csc(CCNC(=O)N2CCCN(c3ncccn3)CC2)n1 ZINC000426677966 534551497 /nfs/dbraw/zinc/55/14/97/534551497.db2.gz ZZSVTYVNINJKCM-UHFFFAOYSA-N -1 0 376.442 1.096 50 0 GDAARM C[C@@H](NC(=O)[C@H]1CC[C@H](CNC(=O)[C@@H](C)NC(=O)OC(C)(C)C)CC1)C(=O)[O-] ZINC000252695279 525296701 /nfs/dbraw/zinc/29/67/01/525296701.db2.gz XPSGQCLQFPTXGQ-AAVRWANBSA-N -1 0 399.488 1.412 50 0 biogenic GDAARM COC(=O)c1[n-]n(-c2ccc(C)cc2)c2c(O)n(-c3ccccc3OC)c(=O)c1-2 ZINC000100933756 570279460 /nfs/dbraw/zinc/27/94/60/570279460.db2.gz WBDUEEUDATVNEQ-WMZOPIPTSA-N -1 0 393.399 1.911 50 0 GDAARM COc1cc(CN2C[C@]34C=C[C@H](O3)[C@H](C(=O)[O-])[C@@H]4C2=O)cc(OC)c1OC ZINC000004237635 570363752 /nfs/dbraw/zinc/36/37/52/570363752.db2.gz DUBARIMOBPAYEK-IJDPYKPMSA-N -1 0 375.377 1.079 50 0 GDAARM COc1ccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4ccc(C)cc4)c(=O)c2=3)cc1 ZINC000004483548 570377733 /nfs/dbraw/zinc/37/77/33/570377733.db2.gz KUAIUTGVYVQQFX-QZTJIDSGSA-N -1 0 393.403 1.936 50 0 GDAARM Cc1nc2ncnn2c(C)c1CCC(=O)N1Cc2ccccc2C[C@@H]1C(=O)[O-] ZINC000237780626 570397192 /nfs/dbraw/zinc/39/71/92/570397192.db2.gz FNLGVIFEUIIDDY-QGZVFWFLSA-N -1 0 379.420 1.712 50 0 GDAARM O=C(CCn1c(=S)[n-]c2cc3c(cc2c1=O)OCO3)NC[C@H]1CCCO1 ZINC000002975360 570524783 /nfs/dbraw/zinc/52/47/83/570524783.db2.gz NCZJASDLRYINOC-SNVBAGLBSA-N -1 0 377.422 1.473 50 0 GDAARM O=C1N[C@H](c2cccc(O)c2)C(=C([O-])c2cccnc2)[C@](O)(C(F)(F)F)N1 ZINC000004269934 570540203 /nfs/dbraw/zinc/54/02/03/570540203.db2.gz IKZIMWGLKBWNBI-IOASZLSFSA-N -1 0 381.310 1.891 50 0 GDAARM CSCC[C@H](NC(=O)c1cc2cc(Cl)ccc2n1C)C(=O)NCC(=O)[O-] ZINC000005272017 570547584 /nfs/dbraw/zinc/54/75/84/570547584.db2.gz JRCBSBZFUQKDHD-LBPRGKRZSA-N -1 0 397.884 1.884 50 0 GDAARM O=C([O-])[C@@H]1CCCN1C(=O)C1CCC(Cn2nnc3ccccc3c2=O)CC1 ZINC000005438731 570593709 /nfs/dbraw/zinc/59/37/09/570593709.db2.gz NOQYWZQPOUTWGT-KVULBXGLSA-N -1 0 384.436 1.674 50 0 GDAARM CCC(NCCCN1CCOCC1)=C1C(=O)[N-]C(=O)N(C2CCCCC2)C1=O ZINC000101043607 570616484 /nfs/dbraw/zinc/61/64/84/570616484.db2.gz IZKKZKGYQUJVTP-WUKNDPDISA-N -1 0 392.500 1.374 50 0 GDAARM CC(=O)N1CC[NH+]([C@H](C(=O)[O-])c2cn(CC(=O)[O-])c3cc(F)ccc23)CC1 ZINC000096736378 570621480 /nfs/dbraw/zinc/62/14/80/570621480.db2.gz BLCJPPJDOADYMA-KRWDZBQOSA-N -1 0 377.372 1.155 50 0 GDAARM Cn1cc([C@@H](C(=O)[O-])[NH+]2CCN(c3ncccn3)CC2)c2cc(C(=O)[O-])ccc21 ZINC000036360934 570643629 /nfs/dbraw/zinc/64/36/29/570643629.db2.gz UWZOKMZSUZZAST-KRWDZBQOSA-N -1 0 395.419 1.614 50 0 GDAARM COc1ccc(-c2ccc(=O)n(CC(=O)N3CCC[C@@H](C(=O)[O-])C3)n2)c(F)c1 ZINC000049543831 570664347 /nfs/dbraw/zinc/66/43/47/570664347.db2.gz OZDGWQSHNWJKAD-GFCCVEGCSA-N -1 0 389.383 1.381 50 0 GDAARM CCOC(=O)c1ccc(CNC(=O)N2CCc3c(nc4cc[n-]n4c3=O)C2)cc1 ZINC000169792638 570697517 /nfs/dbraw/zinc/69/75/17/570697517.db2.gz OLKMTQFXVNUIRM-UHFFFAOYSA-N -1 0 395.419 1.467 50 0 GDAARM CCOc1ccc(N2C(=O)[N-]C(=O)C(=C(C)NCCc3c[nH]cn3)C2=O)cc1 ZINC000006907938 570698680 /nfs/dbraw/zinc/69/86/80/570698680.db2.gz GPSXOEVAZNKRNM-FOWTUZBSSA-N -1 0 383.408 1.498 50 0 GDAARM Cc1nnc(SCC(=O)Nc2sc3c(c2C(N)=O)CC[C@@H](C)C3)[n-]c1=O ZINC000006908626 570698738 /nfs/dbraw/zinc/69/87/38/570698738.db2.gz AOXYVGSKOVGQNK-SSDOTTSWSA-N -1 0 393.494 1.902 50 0 GDAARM CCc1ccc(N2C[C@H](C)Cn3c4c(nc32)n(C)c(=O)n(CC(=O)[O-])c4=O)cc1 ZINC000004370768 570724408 /nfs/dbraw/zinc/72/44/08/570724408.db2.gz AYQUSFNGIRWOTD-LBPRGKRZSA-N -1 0 397.435 1.332 50 0 GDAARM O=C([O-])[C@H]1CCCN(C(=O)Cn2nc(-c3ccc(Cl)cc3)ccc2=O)C1 ZINC000061719515 570743256 /nfs/dbraw/zinc/74/32/56/570743256.db2.gz VKMBTPNJBAAUTF-ZDUSSCGKSA-N -1 0 375.812 1.887 50 0 GDAARM O=C(CN1CCSC1=O)Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1 ZINC000032768010 570802998 /nfs/dbraw/zinc/80/29/98/570802998.db2.gz YWNPYRTUGMUDAE-UHFFFAOYSA-N -1 0 393.450 1.385 50 0 GDAARM CCOC(=O)[C@@H]1[C@@H](c2ccc(C(=O)[O-])cc2)NC(=S)N[C@]1(O)C(F)(F)F ZINC000005952925 570808222 /nfs/dbraw/zinc/80/82/22/570808222.db2.gz QMAKDGADKLCUKQ-IMSIIYSGSA-N -1 0 392.355 1.334 50 0 GDAARM Cc1cc(C)cc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4nccs4)c=3c2=O)c1 ZINC000101352848 570819774 /nfs/dbraw/zinc/81/97/74/570819774.db2.gz QWWVHQZTXJQZGW-KBPBESRZSA-N -1 0 384.421 1.692 50 0 GDAARM COc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4cccc(F)c4)c=3c2=O)cc1 ZINC000101416471 570822275 /nfs/dbraw/zinc/82/22/75/570822275.db2.gz KMPJSSYHAGGASB-SJORKVTESA-N -1 0 397.366 1.766 50 0 GDAARM COc1ccccc1[C@H]1CC(c2c(=O)[nH]c(=O)n(Cc3ccccc3)c2[O-])=NN1 ZINC000101762458 570832919 /nfs/dbraw/zinc/83/29/19/570832919.db2.gz FWXSKPFIJZIZKQ-OAHLLOKOSA-N -1 0 392.415 1.738 50 0 GDAARM O=c1[nH]c([O-])c(C2=NN[C@H](c3cccnc3)C2)c(=O)n1-c1ccc(Cl)cc1 ZINC000101762753 570833008 /nfs/dbraw/zinc/83/30/08/570833008.db2.gz NSNCBRYAVRDMED-ZDUSSCGKSA-N -1 0 383.795 1.719 50 0 GDAARM O=C([O-])c1cc(-n2cnc3ccccc32)cc(S(=O)(=O)N2CCOCC2)c1 ZINC000072146929 570872034 /nfs/dbraw/zinc/87/20/34/570872034.db2.gz OBFGNAHRWZLMLO-UHFFFAOYSA-N -1 0 387.417 1.745 50 0 GDAARM Cc1c2ccc(=O)cc-2oc([O-])c1CCC(=O)N[C@@]1(C)CCS(=O)(=O)C1 ZINC000334158304 570876320 /nfs/dbraw/zinc/87/63/20/570876320.db2.gz FPTQRIMIKJUBDX-SFHVURJKSA-N -1 0 379.434 1.385 50 0 GDAARM Cc1c2ccc(=O)cc-2oc([O-])c1CCC(=O)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000334158560 570876345 /nfs/dbraw/zinc/87/63/45/570876345.db2.gz VIEOKJFDPBMTGO-GFCCVEGCSA-N -1 0 379.434 1.337 50 0 GDAARM COc1ccc2c(C)c(CCC(=O)N[C@@H](CSC)C(=O)[O-])c(=O)oc2c1 ZINC000002125812 570958077 /nfs/dbraw/zinc/95/80/77/570958077.db2.gz SJEDOCRGSQPPHY-AWEZNQCLSA-N -1 0 379.434 1.975 50 0 biogenic GDAARM Cn1c(=O)[nH]c(=O)c2nc(CC(=O)c3ccc(C(F)(F)F)cc3)c(=O)[nH]c21 ZINC000585152502 570985727 /nfs/dbraw/zinc/98/57/27/570985727.db2.gz RRAOGJVHWACTCS-POHAHGRESA-N -1 0 380.282 1.797 50 0 GDAARM Cc1ccc(F)c(S(=O)(=O)N2CCC3(CC2)[C@@H](C(=O)[O-])CC(=O)N3C)c1 ZINC000095353392 571050428 /nfs/dbraw/zinc/05/04/28/571050428.db2.gz CULKSMKWAJWTLV-GFCCVEGCSA-N -1 0 384.429 1.220 50 0 GDAARM Cc1ccc(C)c(S(=O)(=O)C2(C(=O)N3CCO[C@H](C(=O)[O-])C3)CCCC2)c1 ZINC000299742011 599942234 /nfs/dbraw/zinc/94/22/34/599942234.db2.gz AQSRGIXFRRYOPB-HNNXBMFYSA-N -1 0 395.477 1.702 50 0 GDAARM Cn1nccc1C1=CCN(S(=O)(=O)c2ccc(OCC(=O)[O-])cc2)CC1 ZINC000285456861 962885959 /nfs/dbraw/zinc/88/59/59/962885959.db2.gz NBMOHMUBQRIACX-UHFFFAOYSA-N -1 0 377.422 1.362 50 0 GDAARM C[NH+](C)[C@H]1CCN(S(=O)(=O)c2cccc(C(=O)[O-])c2)C[C@H]1CCC(=O)[O-] ZINC000091452372 230963209 /nfs/dbraw/zinc/96/32/09/230963209.db2.gz JJGUMXLCXNPVMQ-HIFRSBDPSA-N -1 0 384.454 1.190 50 0 GDAARM CC(C)(Oc1ccc2c(c1)CCC2)C(=O)N[C@@H]1COCC[C@@H]1OCC(=O)[O-] ZINC000223787681 222643315 /nfs/dbraw/zinc/64/33/15/222643315.db2.gz MXWDXVLPARRDGY-SJORKVTESA-N -1 0 377.437 1.708 50 0 GDAARM CNc1ccccc1S(=O)(=O)[N-]C(=O)c1ccc(OC)c(OC)c1OC ZINC000225857172 222701042 /nfs/dbraw/zinc/70/10/42/222701042.db2.gz DAXJYFIXDTXNNR-UHFFFAOYSA-N -1 0 380.422 1.873 50 0 GDAARM Cn1ncc(Br)c1C(=O)[N-]n1c(=O)c2ccccc2[nH]c1=S ZINC000002790359 530532786 /nfs/dbraw/zinc/53/27/86/530532786.db2.gz PYDUQRUNSZSWTG-UHFFFAOYSA-N -1 0 380.227 1.565 50 0 GDAARM COC(=O)Cn1cnc([N-]S(=O)(=O)c2ccc(OC)c(Cl)c2Cl)n1 ZINC000170643891 530586610 /nfs/dbraw/zinc/58/66/10/530586610.db2.gz SDBXBIUCACCSKG-UHFFFAOYSA-N -1 0 395.224 1.567 50 0 GDAARM O=C([O-])CNC(=O)CNC(=O)CCn1ccc2c1cccc2Br ZINC000040309220 530619039 /nfs/dbraw/zinc/61/90/39/530619039.db2.gz FWTKSGNIMMLRTN-UHFFFAOYSA-N -1 0 382.214 1.111 50 0 biogenic GDAARM Cc1c(C(=O)[O-])cccc1S(=O)(=O)NC[C@H]1CCN(CC(F)(F)F)C1 ZINC000107885709 530855386 /nfs/dbraw/zinc/85/53/86/530855386.db2.gz YHYZWUIIKAVDST-LLVKDONJSA-N -1 0 380.388 1.856 50 0 GDAARM CCOc1ccc(CN2CCN(S(=O)(=O)[N-]CC(F)(F)F)CC2)cc1 ZINC000195067233 531013962 /nfs/dbraw/zinc/01/39/62/531013962.db2.gz OUEJTILVINBPDP-UHFFFAOYSA-N -1 0 381.420 1.600 50 0 GDAARM CN(C)C(=O)Cn1cnc([N-]S(=O)(=O)c2cc(Cl)ccc2Cl)n1 ZINC000225427538 531030004 /nfs/dbraw/zinc/03/00/04/531030004.db2.gz WOKWJXPEHXNZPG-UHFFFAOYSA-N -1 0 378.241 1.474 50 0 GDAARM O=C([O-])[C@H]1CCCN(C(=O)Cn2cnc3ccc(Br)cc3c2=O)C1 ZINC000238071269 531055017 /nfs/dbraw/zinc/05/50/17/531055017.db2.gz IEDPMPRVASEMHY-JTQLQIEISA-N -1 0 394.225 1.482 50 0 GDAARM C[C@H](Oc1ccc(F)cc1Br)C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000262943639 531134608 /nfs/dbraw/zinc/13/46/08/531134608.db2.gz IAONQSLXYJKSOK-UFBFGSQYSA-N -1 0 376.178 1.668 50 0 GDAARM O=C([O-])[C@H]1CCCN1C(=O)Cc1ccc(S(=O)(=O)CC(F)(F)F)cc1 ZINC000299748948 222783321 /nfs/dbraw/zinc/78/33/21/222783321.db2.gz IPAGMUVDMZVAQX-GFCCVEGCSA-N -1 0 379.356 1.641 50 0 GDAARM O=C([O-])CN(C(=O)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1)C1CCOCC1 ZINC000299753016 222784419 /nfs/dbraw/zinc/78/44/19/222784419.db2.gz WNGLIOQGJDYGPN-GFCCVEGCSA-N -1 0 380.828 1.785 50 0 GDAARM O=C([O-])CCN(C[C@H]1CCCO1)C(=O)Cn1cccc(C(F)(F)F)c1=O ZINC000299750988 222784129 /nfs/dbraw/zinc/78/41/29/222784129.db2.gz PBBJJAXVEBGQPB-LLVKDONJSA-N -1 0 376.331 1.349 50 0 GDAARM O=C([O-])[C@H]1COCCN1C(=O)c1cccc(-n2cc(Br)cn2)c1 ZINC000299748951 532024909 /nfs/dbraw/zinc/02/49/09/532024909.db2.gz IPRVCKJGOSLEKQ-CYBMUJFWSA-N -1 0 380.198 1.560 50 0 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221009007 /nfs/dbraw/zinc/00/90/07/221009007.db2.gz BZLYPYVVWAXPPV-UHFFFAOYSA-N -1 0 394.412 1.998 50 0 GDAARM CC[C@@H](C)[C@H](NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl)C(=O)[O-] ZINC000008328461 221038191 /nfs/dbraw/zinc/03/81/91/221038191.db2.gz SMRDFIFPOUWYQZ-RNCFNFMXSA-N -1 0 376.862 1.819 50 0 GDAARM C[C@@H](C(=O)N1Cc2ccccc2C[C@@H]1C(=O)[O-])n1c(=O)[nH]c2ccccc2c1=O ZINC000011867215 221133573 /nfs/dbraw/zinc/13/35/73/221133573.db2.gz KEJLIXOIQLDOLK-YVEFUNNKSA-N -1 0 393.399 1.289 50 0 GDAARM CN1C(=O)N(C)[C@@]2(c3ccccc3)N(CC(=O)[O-])C(=O)N[C@@]12c1ccccc1 ZINC000012416593 221189769 /nfs/dbraw/zinc/18/97/69/221189769.db2.gz WPKBFODBPMLNBQ-PMACEKPBSA-N -1 0 380.404 1.799 50 0 GDAARM C[C@H]1CN(C(=O)CSc2nnc(-c3cccs3)n2CCC(=O)[O-])CCO1 ZINC000012788875 221231313 /nfs/dbraw/zinc/23/13/13/221231313.db2.gz QDYZPVYZJQHHJL-NSHDSACASA-N -1 0 396.494 1.821 50 0 GDAARM CC(C)C[C@@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)N(C)C)c1)C(=O)[O-] ZINC000012794421 221232947 /nfs/dbraw/zinc/23/29/47/221232947.db2.gz 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CCOc1ccccc1N1C[C@H](C(=O)N2CCO[C@@H](CC(=O)[O-])C2)CC1=O ZINC000268939797 521520509 /nfs/dbraw/zinc/52/05/09/521520509.db2.gz DPCJONSOEUWHQS-KGLIPLIRSA-N -1 0 376.409 1.140 50 0 GDAARM Cc1nn(-c2cccc(C(=O)NCc3n[nH]c(=O)[n-]3)c2)c(=O)c2ccccc12 ZINC000426414728 534803365 /nfs/dbraw/zinc/80/33/65/534803365.db2.gz RSPKNLSUECYXKA-UHFFFAOYSA-N -1 0 376.376 1.448 50 0 GDAARM O=C([O-])C[C@@H](NC(=O)[C@H]1CCS(=O)(=O)C1)c1cccc(Br)c1 ZINC000299752888 527625625 /nfs/dbraw/zinc/62/56/25/527625625.db2.gz VWRZXYCDUBJMIF-CMPLNLGQSA-N -1 0 390.255 1.516 50 0 GDAARM CN(CC(=O)N1CCC(C(=O)[O-])CC1)C(=O)[C@@H]1C[C@H]1c1cccc(F)c1F ZINC000237307791 570231621 /nfs/dbraw/zinc/23/16/21/570231621.db2.gz UCGJFNFDNBMQEQ-UONOGXRCSA-N -1 0 380.391 1.850 50 0 GDAARM COc1ccc(N2C(=O)[N-]C(=O)C(=C(C)NCCCn3ccnc3)C2=O)cc1 ZINC000020290446 570251654 /nfs/dbraw/zinc/25/16/54/570251654.db2.gz UYAYTCIYLURHGB-DTQAZKPQSA-N -1 0 383.408 1.428 50 0 GDAARM COc1ccccc1NC(=O)Cn1[nH][n-]c2c(=O)n(-c3ccc(C)cc3)c(=O)c1=2 ZINC000100033442 570265434 /nfs/dbraw/zinc/26/54/34/570265434.db2.gz RYJWZMXDYTUSFJ-MSOLQXFVSA-N -1 0 393.403 1.936 50 0 GDAARM CCOc1ccc(OCCn2c3ncnc(N)c3nc2S(=O)(=O)[O-])cc1 ZINC000002851883 570309064 /nfs/dbraw/zinc/30/90/64/570309064.db2.gz DMRDRPPBASNATF-UHFFFAOYSA-N -1 0 379.398 1.133 50 0 GDAARM O=C(Cc1ccccc1F)N1CCN(c2nc3nc(C4CC4)cc(=O)n3[n-]2)CC1 ZINC000575607391 570330486 /nfs/dbraw/zinc/33/04/86/570330486.db2.gz LHABMFVUQRJERH-UHFFFAOYSA-N -1 0 396.426 1.325 50 0 GDAARM O=C([O-])CC[C@]1(CCC(=O)NCc2[nH]nc3c2CCCCC3)CCC(=O)N1 ZINC000218987991 570345137 /nfs/dbraw/zinc/34/51/37/570345137.db2.gz CJFRUJYECIKZFQ-IBGZPJMESA-N -1 0 376.457 1.589 50 0 GDAARM Cc1cc(C)c(NC(=O)CSc2nnc(CCC(=O)[O-])c(=O)n2N)c(C)c1 ZINC000004854795 570349150 /nfs/dbraw/zinc/34/91/50/570349150.db2.gz OSDVCEBENXINIV-UHFFFAOYSA-N -1 0 391.453 1.025 50 0 GDAARM Cn1cc(S(=O)(=O)N2CCN(CCc3ccccc3)CC2)cc1C(=O)[O-] ZINC000237704141 570390746 /nfs/dbraw/zinc/39/07/46/570390746.db2.gz ZSKSHRFCZJAZBF-UHFFFAOYSA-N -1 0 377.466 1.272 50 0 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GDAARM CCc1ccc(S(=O)(=O)N2CCC[C@H](Cn3cc(C(=O)[O-])nn3)C2)cc1 ZINC000065403765 222127911 /nfs/dbraw/zinc/12/79/11/222127911.db2.gz BERLBCWGBSYWJH-CQSZACIVSA-N -1 0 378.454 1.640 50 0 GDAARM COc1ccc(C(=O)N2CCc3c(c(C(=O)[O-])nn3CCO)C2)cc1Cl ZINC000067935249 222169389 /nfs/dbraw/zinc/16/93/89/222169389.db2.gz HESQKUSFHLRXSP-UHFFFAOYSA-N -1 0 379.800 1.434 50 0 GDAARM Cc1cc(NC(=O)Cc2ccccc2C(=O)[O-])n([C@H]2CCS(=O)(=O)C2)n1 ZINC000071289056 222180456 /nfs/dbraw/zinc/18/04/56/222180456.db2.gz STVVMSAVCGVGGW-ZDUSSCGKSA-N -1 0 377.422 1.431 50 0 GDAARM COc1ccc(-c2ccc(=O)n(CC(=O)N[C@H](CC(C)C)C(=O)[O-])n2)c(F)c1 ZINC000071329001 222182224 /nfs/dbraw/zinc/18/22/24/222182224.db2.gz MZQAMSSGTIVOID-MRXNPFEDSA-N -1 0 391.399 1.674 50 0 GDAARM CC(C)[C@@H]1CN(C(=O)Cc2n[nH]c(=O)[n-]2)CCC(=O)N1Cc1ccc(F)cc1 ZINC000071499009 222186446 /nfs/dbraw/zinc/18/64/46/222186446.db2.gz HCUARZWOMGGAOG-HNNXBMFYSA-N -1 0 389.431 1.065 50 0 GDAARM C[C@H]1Cc2ccccc2N1C(=O)c1nc2n(n1)-c1ccccc1S(=O)(=O)[N-]2 ZINC000071890325 222200014 /nfs/dbraw/zinc/20/00/14/222200014.db2.gz KWDNBWIAYSPKAJ-NSHDSACASA-N -1 0 381.417 1.973 50 0 GDAARM CC(C)c1cc([N-]S(=O)(=O)c2ccc(S(=O)(=O)NC3CC3)cc2)n[nH]1 ZINC000079066408 222302068 /nfs/dbraw/zinc/30/20/68/222302068.db2.gz YVULKVHFRNHPDE-UHFFFAOYSA-N -1 0 384.483 1.775 50 0 GDAARM CCN(C[C@@H](C)C(=O)[O-])C(=O)[C@@H](C)NC(=O)c1cc(OC)c(OC)c(OC)c1 ZINC000095970635 222367009 /nfs/dbraw/zinc/36/70/09/222367009.db2.gz CIAGCSTVTKAKSR-VXGBXAGGSA-N -1 0 396.440 1.400 50 0 GDAARM CC[C@@H](C)[C@H](NC(=O)N1CC(=O)Nc2ccccc21)C(=O)N[C@@H](C)C(=O)[O-] ZINC000012889511 535704497 /nfs/dbraw/zinc/70/44/97/535704497.db2.gz IMRKROJYSWQVIM-ZETOZRRWSA-N -1 0 376.413 1.159 50 0 biogenic GDAARM CC(C)(C)[C@H](C(=O)[O-])C(=O)N1CCN([C@H](C(N)=O)c2ccc(Cl)cc2)CC1 ZINC000663041584 570244419 /nfs/dbraw/zinc/24/44/19/570244419.db2.gz ZYHYORWDBHJBIH-GJZGRUSLSA-N -1 0 395.887 1.758 50 0 GDAARM CCOC(=O)C1=C(C)OC(=O)[C@@]1(NS(=O)(=O)c1ccccc1)C(F)(F)F ZINC000002484650 570288161 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ZINC000244882654 570698260 /nfs/dbraw/zinc/69/82/60/570698260.db2.gz XVXMRUZLHBCEGE-BETUJISGSA-N -1 0 376.438 1.749 50 0 GDAARM O=C([O-])[C@H]1CN(C(=O)Cc2csc(-c3ccc4c(c3)OCO4)n2)CCO1 ZINC000263049094 570702474 /nfs/dbraw/zinc/70/24/74/570702474.db2.gz WTCSTLIYPVUECO-CQSZACIVSA-N -1 0 376.390 1.393 50 0 GDAARM COc1cc(CCC(=O)N2CCO[C@H](C(=O)[O-])C2)ccc1OCC(F)(F)F ZINC000263045540 570702512 /nfs/dbraw/zinc/70/25/12/570702512.db2.gz WIGBQXNZTKBEIR-AWEZNQCLSA-N -1 0 391.342 1.881 50 0 GDAARM Cc1ccc(N2CCCn3c2nc2c3c(=O)n(CC(=O)[O-])c(=O)n2C)cc1C ZINC000004370742 570724379 /nfs/dbraw/zinc/72/43/79/570724379.db2.gz OFBYWNZJUPGDBB-UHFFFAOYSA-N -1 0 383.408 1.140 50 0 GDAARM O=C([O-])C1(CC(=O)N[C@H]2CC(=O)N(CC(F)(F)F)C2)Cc2ccccc2C1 ZINC000237914219 570750247 /nfs/dbraw/zinc/75/02/47/570750247.db2.gz WUAAXXZGFFEFBR-ZDUSSCGKSA-N -1 0 384.354 1.526 50 0 GDAARM [O-]c1c([C@H](c2ccc(F)cc2)N2CCN(CCO)CC2)sc2ncnn12 ZINC000022031275 570778253 /nfs/dbraw/zinc/77/82/53/570778253.db2.gz DDGABYXDYBNDTA-AWEZNQCLSA-N -1 0 377.445 1.335 50 0 GDAARM O=C([O-])[C@@H]1CN(C(=O)c2ccc(Cn3cc(Br)cn3)o2)CCO1 ZINC000583650563 570804205 /nfs/dbraw/zinc/80/42/05/570804205.db2.gz KCWXVOSFWWHUJS-LBPRGKRZSA-N -1 0 384.186 1.213 50 0 GDAARM COc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4cccc(F)c4)c=3c2=O)cc1 ZINC000101416474 570822321 /nfs/dbraw/zinc/82/23/21/570822321.db2.gz KMPJSSYHAGGASB-DLBZAZTESA-N -1 0 397.366 1.766 50 0 GDAARM CCCCn1c([O-])c(C2=NN[C@H](c3ccc(OC)c(OC)c3)C2)c(=O)[nH]c1=O ZINC000101761894 570832970 /nfs/dbraw/zinc/83/29/70/570832970.db2.gz LQKFGMRCCDSWNZ-LBPRGKRZSA-N -1 0 388.424 1.498 50 0 GDAARM COc1ccc2[nH]cc(CCNC(=O)Cc3nn4c([n-]3)nc(C)cc4=O)c2c1 ZINC000102721749 570858612 /nfs/dbraw/zinc/85/86/12/570858612.db2.gz ZCLLBSCBKJCGQH-UHFFFAOYSA-N -1 0 380.408 1.530 50 0 GDAARM CCOC(=O)C1CCN(c2ccc(NS(=O)(=O)CC)cc2C(=O)[O-])CC1 ZINC000033253513 570861451 /nfs/dbraw/zinc/86/14/51/570861451.db2.gz WPQYGOUHOZGSJQ-UHFFFAOYSA-N -1 0 384.454 1.926 50 0 GDAARM Cc1ccc(NC(=O)[C@@H]2C[C@H](C(=O)[O-])CN(C(=O)c3ncccc3O)C2)cn1 ZINC000072150860 570873169 /nfs/dbraw/zinc/87/31/69/570873169.db2.gz FCRNKWYJZUOUJU-OLZOCXBDSA-N -1 0 384.392 1.292 50 0 GDAARM COc1cc2oc(=O)c(CC(=O)N[C@@H](CSC)C(=O)[O-])c(C)c2cc1OC ZINC000002160015 570974872 /nfs/dbraw/zinc/97/48/72/570974872.db2.gz MSNBKZGWDJRQAJ-LBPRGKRZSA-N -1 0 395.433 1.594 50 0 biogenic GDAARM CN1CCN(C(=O)c2ccc(CNC(=O)c3cccc(C(=O)[O-])c3)cc2)CC1 ZINC000521872980 598137189 /nfs/dbraw/zinc/13/71/89/598137189.db2.gz UFPPGZCTSSMKAQ-UHFFFAOYSA-N -1 0 381.432 1.702 50 0 GDAARM C[C@H]1Oc2ccccc2N(CCC(=O)N(CCC(=O)[O-])C[C@@H]2CCCO2)C1=O ZINC000299749529 600485719 /nfs/dbraw/zinc/48/57/19/600485719.db2.gz KPVSOKDOYKIIES-CABCVRRESA-N -1 0 390.436 1.673 50 0 GDAARM CCOc1cc(C(=O)N[C@@H]2CC(=O)N([C@H]3C[C@@H]3C)C2)ccc1OCC(=O)[O-] ZINC000299742279 600935278 /nfs/dbraw/zinc/93/52/78/600935278.db2.gz AYJNNNBZGZAGRN-YUTCNCBUSA-N -1 0 376.409 1.288 50 0 GDAARM C[C@@H](C(=O)[O-])[C@H](NC(=O)[C@H](C)NS(=O)(=O)c1cccs1)c1ccccc1 ZINC000262522598 601393734 /nfs/dbraw/zinc/39/37/34/601393734.db2.gz QZLHNAXLRMPHEB-XUJVJEKNSA-N -1 0 396.490 1.993 50 0 GDAARM O=C([O-])C1(C(=O)N[C@@H]2CCN(c3cccc(Br)c3)C2=O)CCC1 ZINC000630262351 653203111 /nfs/dbraw/zinc/20/31/11/653203111.db2.gz LPQAVMFWFNEFPG-GFCCVEGCSA-N -1 0 381.226 1.926 50 0 GDAARM CC(C)n1ccc([N-]S(=O)(=O)c2cnn(C)c2I)n1 ZINC000864097540 655890214 /nfs/dbraw/zinc/89/02/14/655890214.db2.gz VTEAUENJZXMJQE-UHFFFAOYSA-N -1 0 395.226 1.603 50 0 GDAARM CCN1CCN(S(=O)(=O)c2cc(/C=C/C(=O)[O-])cc(OC)c2OC)CC1 ZINC000002662775 956866417 /nfs/dbraw/zinc/86/64/17/956866417.db2.gz UYSJWDOGYDLGJL-AATRIKPKSA-N -1 0 384.454 1.128 50 0 GDAARM CO[C@@](C)(C(=O)[O-])C(=O)N1CCCN(C(=O)Nc2ccc(Cl)cc2)CC1 ZINC000663038622 968767617 /nfs/dbraw/zinc/76/76/17/968767617.db2.gz CMAGARISENECHK-QGZVFWFLSA-N -1 0 383.832 1.896 50 0 GDAARM COc1ccc(C2(C(=O)N3CCNC(=O)[C@@H]3CC(=O)[O-])CCCC2)cc1OC ZINC000426746088 231257548 /nfs/dbraw/zinc/25/75/48/231257548.db2.gz LKAWJXQHTBIIQL-AWEZNQCLSA-N -1 0 390.436 1.317 50 0 GDAARM CN1C(=O)C[C@@H](C(=O)[O-])C12CCN(C(=O)Cc1ccc(F)cc1Cl)CC2 ZINC000095385076 530044717 /nfs/dbraw/zinc/04/47/17/530044717.db2.gz DESIUYGKEKJOMS-ZDUSSCGKSA-N -1 0 382.819 1.946 50 0 GDAARM O=S1(=O)CC[C@@H]([N-]C(=S)SCCOc2ccccc2OCCO)C1 ZINC000004718940 530536444 /nfs/dbraw/zinc/53/64/44/530536444.db2.gz PTFNXYXRWPFTLX-GFCCVEGCSA-N -1 0 391.536 1.231 50 0 GDAARM COc1cc([N-]S(=O)(=O)c2c(C)nc3sccn3c2=O)cc(OC)c1 ZINC000006859810 530542796 /nfs/dbraw/zinc/54/27/96/530542796.db2.gz HHOVQHOYXPQSCS-UHFFFAOYSA-N -1 0 381.435 1.882 50 0 GDAARM Cc1noc(C)c1S(=O)(=O)[N-]c1cc(N2CCCS2(=O)=O)ccc1C ZINC000036079104 530613755 /nfs/dbraw/zinc/61/37/55/530613755.db2.gz MZBCQKWJNRKMGG-UHFFFAOYSA-N -1 0 385.467 1.941 50 0 GDAARM COc1ccc(Cl)cc1S(=O)(=O)N1CCN(C(=O)CCC(=O)[O-])CC1 ZINC000037407993 530616524 /nfs/dbraw/zinc/61/65/24/530616524.db2.gz YWKVOPMVZPSHCN-UHFFFAOYSA-N -1 0 390.845 1.046 50 0 GDAARM 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