smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CO[C@]12CC[N@H+](Cc3cc(C#N)n(C)c3C)[C@H]1C[C@H](Oc1ccccn1)CC2 ZINC000426550721 231240133 /nfs/dbraw/zinc/24/01/33/231240133.db2.gz ZUDAVPJCVNWXGX-RZUBCFFCSA-N 1 0 380.492 3.191 50 30 GGEARO COc1ccc(C(=O)[C@H](C)[n+]2ccc(-c3nnc4n3CCCCC4)cc2)cc1 ZINC000001904487 203922838 /nfs/dbraw/zinc/92/28/38/203922838.db2.gz GOCRPMBGERREAJ-INIZCTEOSA-N 1 0 377.468 3.412 50 30 GGEARO COc1ccccc1C/C(C[C@H]1c2c(cc3c(c2OC)OCO3)CC[N@H+]1C)=N\O ZINC000035190784 204036477 /nfs/dbraw/zinc/03/64/77/204036477.db2.gz XVQMWUSTINEBKG-CSUZIONRSA-N 1 0 398.459 3.425 50 30 biogenic GGEARO NC(=O)C1([NH+]2CCCCC2)CCN(C(=S)Nc2ccc(Cl)cc2)CC1 ZINC000004574674 204054057 /nfs/dbraw/zinc/05/40/57/204054057.db2.gz XNAOOGKKFRWFSK-UHFFFAOYSA-N 1 0 380.945 3.063 50 30 GGEARO Cc1cc(Cl)ccc1NC(=S)N1CCC(C(N)=O)([NH+]2CCCCC2)CC1 ZINC000004574631 204054621 /nfs/dbraw/zinc/05/46/21/204054621.db2.gz VRQWKUJUQQJWQL-UHFFFAOYSA-N 1 0 394.972 3.372 50 30 GGEARO N#Cc1ccc(C[NH+]2CCC(C(=O)N3CCN(c4ccccc4)CC3)CC2)cc1 ZINC000004682112 204062616 /nfs/dbraw/zinc/06/26/16/204062616.db2.gz ODEZHCOYHDWPRU-UHFFFAOYSA-N 1 0 388.515 3.119 50 30 GGEARO Cc1ccc(C(=[NH2+])NOC(=O)c2ccccc2I)cc1 ZINC000005102849 204112128 /nfs/dbraw/zinc/11/21/28/204112128.db2.gz LUZCMXLSNMMZBW-UHFFFAOYSA-N 1 0 380.185 3.077 50 30 GGEARO CC[NH+](CC)CCCN1C(=O)C(O)=C(C(=O)c2ccc(C)o2)[C@@H]1c1ccco1 ZINC000006785087 204204338 /nfs/dbraw/zinc/20/43/38/204204338.db2.gz ZLFBZQRYQJGXTQ-GHNGSUTGSA-N 1 0 386.448 3.335 50 30 GGEARO C[NH+](C)CCN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@@H]1c1ccccc1 ZINC000006812703 204211902 /nfs/dbraw/zinc/21/19/02/204211902.db2.gz YOGJSJCRYYHUKQ-NHFXJNLRSA-N 1 0 390.439 3.416 50 30 GGEARO N#Cc1c2c(c(N3CCOCC3)nc1SCC[NH+]1CCCCC1)CCCC2 ZINC000006755073 204200512 /nfs/dbraw/zinc/20/05/12/204200512.db2.gz OAPSROBCBLKVGC-UHFFFAOYSA-N 1 0 386.565 3.247 50 30 GGEARO CC[C@@H]1CCCC[N@@H+]1C[C@@H](O)Cn1c2ccccc2n2c1c(C#N)c(C)cc2=O ZINC000012080432 204370356 /nfs/dbraw/zinc/37/03/56/204370356.db2.gz AIYONIJQDRWVHX-QZTJIDSGSA-N 1 0 392.503 3.060 50 30 GGEARO N#Cc1ccccc1C[N@@H+]1C[C@H](c2ccc3c(c2)OCO3)[C@@H]2[C@H]1C1CCN2CC1 ZINC000072161284 205312442 /nfs/dbraw/zinc/31/24/42/205312442.db2.gz USVUXAOUZRVRAW-AGILITTLSA-N 1 0 387.483 3.349 50 30 GGEARO COc1ccccc1[C@@H]1CN(C(=O)c2ccccc2C#N)[C@H]2[C@@H]1[NH+]1CCC2CC1 ZINC000072162425 205314096 /nfs/dbraw/zinc/31/40/96/205314096.db2.gz HSAOOYGBSLAFEV-MDNUFGMLSA-N 1 0 387.483 3.269 50 30 GGEARO Cc1c(C[N@@H+]2CCC[C@@]3(CCC(=O)N(Cc4ccncc4)C3)C2)cc(C#N)n1C ZINC000072425025 205349070 /nfs/dbraw/zinc/34/90/70/205349070.db2.gz RCYZUIYWJLAGPM-HSZRJFAPSA-N 1 0 391.519 3.005 50 30 GGEARO CC(C)N(CC[NH2+]C[C@@H]1C(=O)O[C@@H]2C[C@@]3(C)CCC[C@]4(CO4)[C@@H]3C[C@H]12)C(C)C ZINC000230070342 206110772 /nfs/dbraw/zinc/11/07/72/206110772.db2.gz MJHAVTISRMMQFD-WFTGQSOZSA-N 1 0 392.584 3.222 50 30 biogenic GGEARO N#Cc1cccc(N2CCN(Cc3ccc(C[NH+]4CCCC4)s3)CC2=O)c1 ZINC000082156822 136174158 /nfs/dbraw/zinc/17/41/58/136174158.db2.gz JZHNJAIYZBNLRH-UHFFFAOYSA-N 1 0 380.517 3.064 50 30 GGEARO N#Cc1ccnc(N2CCC([NH2+]Cc3cnn(-c4cccc(F)c4)c3)CC2)c1 ZINC000095501318 136179879 /nfs/dbraw/zinc/17/98/79/136179879.db2.gz QCMBEZQERZDJCK-UHFFFAOYSA-N 1 0 376.439 3.037 50 30 GGEARO C=C(C)COc1ccc2c(C)c(CC(=O)NC[C@H]3CCC[N@H+]3CC)c(=O)oc2c1 ZINC000013655661 518614711 /nfs/dbraw/zinc/61/47/11/518614711.db2.gz VTPSCOFQFUMNLP-QGZVFWFLSA-N 1 0 398.503 3.199 50 30 GGEARO C=C(C)COc1ccc2c(C)c(CC(=O)NC[C@@H]3CCC[N@H+]3CC)c(=O)oc2c1 ZINC000013655663 518615838 /nfs/dbraw/zinc/61/58/38/518615838.db2.gz VTPSCOFQFUMNLP-KRWDZBQOSA-N 1 0 398.503 3.199 50 30 GGEARO C=CCN(CC=C)C(=O)C1CC[NH+](C2CCN(Cc3cccc(C)n3)CC2)CC1 ZINC000055254929 518761064 /nfs/dbraw/zinc/76/10/64/518761064.db2.gz WRVWYIRWDCCCRM-UHFFFAOYSA-N 1 0 396.579 3.267 50 30 GGEARO C=CCn1ncc(C[N@H+]2C[C@@H](c3ccc(OC)cc3)[C@@H]3[C@H]2C2CCN3CC2)c1C ZINC000095390867 519291864 /nfs/dbraw/zinc/29/18/64/519291864.db2.gz UNHFTADJQCDVPR-RBZQAINGSA-N 1 0 392.547 3.448 50 30 GGEARO CC(C)(O)C#Cc1ccc(C[N@H+]2CCc3nnc(-c4ccccc4)n3CC2)cc1 ZINC000014878798 519331475 /nfs/dbraw/zinc/33/14/75/519331475.db2.gz FTGHPONZYLVJCZ-UHFFFAOYSA-N 1 0 386.499 3.126 50 30 GGEARO CCCOc1ccc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2CC[NH+](C)C)cc1 ZINC000006783466 520430405 /nfs/dbraw/zinc/43/04/05/520430405.db2.gz MNTDMGMXSVSSFN-WOOAAIBNSA-N 1 0 398.459 3.052 50 30 GGEARO CCCOc1cccc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2CC[NH+](C)C)c1 ZINC000006783487 520468060 /nfs/dbraw/zinc/46/80/60/520468060.db2.gz RRXPJJMITNHQPJ-LFVOPCPISA-N 1 0 398.459 3.052 50 30 GGEARO CC[NH+](CC)CCCN1C(=O)C(O)=C(C(=O)c2ccc(C)o2)[C@H]1c1cccnc1 ZINC000020135441 520600401 /nfs/dbraw/zinc/60/04/01/520600401.db2.gz JWNHXQYPEZMRSY-LJQANCHMSA-N 1 0 397.475 3.293 50 30 GGEARO CC[NH+](CC)CCCN1C(=O)C(O)=C(C(=O)c2ccco2)[C@H]1c1ccc(C)o1 ZINC000019973796 520602932 /nfs/dbraw/zinc/60/29/32/520602932.db2.gz HZMKQORFEAAGHA-GOSISDBHSA-N 1 0 386.448 3.491 50 30 GGEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(C)=O)[C@H]1c1ccc(Br)cc1 ZINC000019771892 520659240 /nfs/dbraw/zinc/65/92/40/520659240.db2.gz HTGKSGHZMOSMCK-MRXNPFEDSA-N 1 0 395.297 3.075 50 30 GGEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1ccccn1 ZINC000020229938 520659999 /nfs/dbraw/zinc/65/99/99/520659999.db2.gz GQKYUWQLUGQTSE-IBGZPJMESA-N 1 0 379.460 3.002 50 30 GGEARO CCOc1ccc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2CCC[NH+](C)C)cc1 ZINC000019958183 521238066 /nfs/dbraw/zinc/23/80/66/521238066.db2.gz BDNQMWVDCOENNP-LJQANCHMSA-N 1 0 398.459 3.208 50 30 GGEARO CCOc1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2CC[NH+](C)C)cc1 ZINC000019788390 521269290 /nfs/dbraw/zinc/26/92/90/521269290.db2.gz OCPCHHQUODBPFP-FQEVSTJZSA-N 1 0 394.471 3.225 50 30 GGEARO CCOC(=O)[C@]1(CCOC)CCC[N@H+](Cc2ccc(C#CC(C)(C)O)s2)C1 ZINC000055119749 521353050 /nfs/dbraw/zinc/35/30/50/521353050.db2.gz ODPVDKRHPHYGOC-NRFANRHFSA-N 1 0 393.549 3.052 50 30 GGEARO C[NH+](C)CCN1C(=O)C(O)=C(C(=O)c2c[nH]c3ccccc23)[C@@H]1c1ccccc1 ZINC000013723437 521754621 /nfs/dbraw/zinc/75/46/21/521754621.db2.gz OZOKXRILODZWOP-FQEVSTJZSA-N 1 0 389.455 3.308 50 30 GGEARO C[NH+](C)CCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1ccccc1 ZINC000019939093 521755971 /nfs/dbraw/zinc/75/59/71/521755971.db2.gz OYFWGOIDQWOLAW-SFHVURJKSA-N 1 0 384.863 3.480 50 30 GGEARO COc1ccc(-c2c[n+](CC(=O)Nc3cccc(C(C)=O)c3)c3n2CCC3)cc1 ZINC000013776088 523082556 /nfs/dbraw/zinc/08/25/56/523082556.db2.gz DPKQQKAUWXEURG-UHFFFAOYSA-O 1 0 390.463 3.239 50 30 GGEARO COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2ccccc2)cc1 ZINC000019885559 523553866 /nfs/dbraw/zinc/55/38/66/523553866.db2.gz UNBIBILYAGAVAZ-HXUWFJFHSA-N 1 0 394.471 3.225 50 30 GGEARO COc1ccc(C/C(C[C@H]2c3c(cc4c(c3OC)OCO4)CC[N@H+]2C)=N/O)cc1 ZINC000033745055 523865554 /nfs/dbraw/zinc/86/55/54/523865554.db2.gz URHNFWAQTJNDJE-PAJXCOJRSA-N 1 0 398.459 3.425 50 30 biogenic GGEARO COc1ccc(CC[NH2+]C[C@@H]2C(=O)O[C@@H]3C[C@@]4(C)CCC[C@H](C)[C@]45O[C@@H]5[C@H]23)cc1 ZINC000252694924 523973991 /nfs/dbraw/zinc/97/39/91/523973991.db2.gz RWBIPIUHWVWIJW-ZPMJKILHSA-N 1 0 399.531 3.353 50 30 biogenic GGEARO CN1C[C@@]2(CC[N@H+](CCC(C#N)(c3ccccc3)c3ccccc3)C2)OC1=O ZINC000072158205 524018880 /nfs/dbraw/zinc/01/88/80/524018880.db2.gz GYLOHHXYNKNHDM-JOCHJYFZSA-N 1 0 375.472 3.413 50 30 GGEARO CN1C[C@]2(CC[N@H+](CCC(C#N)(c3ccccc3)c3ccccc3)C2)OC1=O ZINC000072158206 524027090 /nfs/dbraw/zinc/02/70/90/524027090.db2.gz GYLOHHXYNKNHDM-QFIPXVFZSA-N 1 0 375.472 3.413 50 30 GGEARO C[NH+](C)CCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@H]1c1ccco1 ZINC000005445150 524053980 /nfs/dbraw/zinc/05/39/80/524053980.db2.gz FIYXPFFTAUULMA-GROYHEBESA-N 1 0 388.851 3.306 50 30 GGEARO C[NH+](C)CCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@H]1c1ccncc1 ZINC000102877020 524053998 /nfs/dbraw/zinc/05/39/98/524053998.db2.gz JPMZOBZZCOAZET-SELCWUDQSA-N 1 0 399.878 3.108 50 30 GGEARO C[NH+](C)CCCN1C(=O)C(O)=C(C(=O)c2c[nH]c3ccccc23)[C@H]1c1ccco1 ZINC000102736479 524054244 /nfs/dbraw/zinc/05/42/44/524054244.db2.gz LCDJTGCXXOBNBJ-LFVOPCPISA-N 1 0 393.443 3.134 50 30 GGEARO C[NH+](C)CCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1cccnc1 ZINC000019882940 524054800 /nfs/dbraw/zinc/05/48/00/524054800.db2.gz GLWMXESOXCOTNY-SFHVURJKSA-N 1 0 399.878 3.265 50 30 GGEARO C[NH+](C)CCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1cccs1 ZINC000019582256 524054823 /nfs/dbraw/zinc/05/48/23/524054823.db2.gz DHPIWVVOYOAVLM-KRWDZBQOSA-N 1 0 388.464 3.417 50 30 GGEARO C[NH+](C)CCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1cccs1 ZINC000019582259 524055037 /nfs/dbraw/zinc/05/50/37/524055037.db2.gz DHPIWVVOYOAVLM-QGZVFWFLSA-N 1 0 388.464 3.417 50 30 GGEARO C[NH+](C)CCCN1C(=O)C(O)=C(C(=O)c2cccs2)[C@@H]1c1ccccc1F ZINC000019582309 524055856 /nfs/dbraw/zinc/05/58/56/524055856.db2.gz COWMJEWMZQJMMP-KRWDZBQOSA-N 1 0 388.464 3.417 50 30 GGEARO COc1cccc([C@@H]2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2CCC[NH+](C)C)c1 ZINC000020029552 524107722 /nfs/dbraw/zinc/10/77/22/524107722.db2.gz HQCCQAYOUQUWSA-LJQANCHMSA-N 1 0 398.459 3.127 50 30 GGEARO COc1cccc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2CC[NH+](C)C)c1 ZINC000013551157 524171748 /nfs/dbraw/zinc/17/17/48/524171748.db2.gz QQRMQXIIRFVHRX-FQEVSTJZSA-N 1 0 394.471 3.144 50 30 GGEARO COc1ccc(NC(=O)C[n+]2cc(-c3ccc(OC)cc3)n3c2CCC3)cc1 ZINC000017207447 524523332 /nfs/dbraw/zinc/52/33/32/524523332.db2.gz KMOJCEMCMWKMGD-UHFFFAOYSA-O 1 0 378.452 3.045 50 30 GGEARO COc1ccccc1NC(=[NH2+])Nc1nc(CSc2ccc(C)cc2)cc(=O)[nH]1 ZINC000013125565 524533545 /nfs/dbraw/zinc/53/35/45/524533545.db2.gz OCCMCRFIERZTBE-UHFFFAOYSA-N 1 0 395.488 3.438 50 30 aggregator GGEARO COc1ccc(OC)c(NC(=O)C[n+]2cc(-c3ccccc3)n3c2CCC3)c1 ZINC000013758408 524853173 /nfs/dbraw/zinc/85/31/73/524853173.db2.gz DVOQAUFOLSZRNM-UHFFFAOYSA-O 1 0 378.452 3.045 50 30 GGEARO COc1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2CCC[NH+](C)C)cc1 ZINC000020025262 525390160 /nfs/dbraw/zinc/39/01/60/525390160.db2.gz QKICSLINYRLUNT-FQEVSTJZSA-N 1 0 394.471 3.225 50 30 GGEARO Cc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2ccc(F)cc2)cc1 ZINC000017159850 526021661 /nfs/dbraw/zinc/02/16/61/526021661.db2.gz QIOLDSLRFNSBLF-LJQANCHMSA-N 1 0 382.435 3.274 50 30 GGEARO Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2ccccc2)s1 ZINC000102928348 526687911 /nfs/dbraw/zinc/68/79/11/526687911.db2.gz QHGNPKPTSPJATD-HVESIFNPSA-N 1 0 399.516 3.133 50 30 GGEARO [NH2+]=C(Cc1ccc([N+](=O)[O-])cc1)NOC(=O)c1cccc(Br)c1 ZINC000018173040 526814208 /nfs/dbraw/zinc/81/42/08/526814208.db2.gz IZJNWWKRBVRCCP-UHFFFAOYSA-N 1 0 378.182 3.029 50 30 GGEARO O=C1CC(c2ccc(F)cc2)CC(=O)C1=CNC[C@@H]1[NH2+]CCc2ccccc21 ZINC000100146721 526961871 /nfs/dbraw/zinc/96/18/71/526961871.db2.gz KSEUZXVMUSLZRQ-LFABVHOISA-N 1 0 378.447 3.202 50 30 GGEARO Cc1nc2c[n+](CC(=O)c3ccc(Cl)cc3)cc(Br)c2n1C ZINC000013512072 527114672 /nfs/dbraw/zinc/11/46/72/527114672.db2.gz DEOOKZUMZBCTJM-UHFFFAOYSA-N 1 0 379.665 3.468 50 30 GGEARO C=CCn1nc(C(=O)N2CCCCCC2)c2c1CC[C@H]([NH2+]Cc1ccco1)C2 ZINC000014541232 527390301 /nfs/dbraw/zinc/39/03/01/527390301.db2.gz XUOWTDKPKHJXJV-KRWDZBQOSA-N 1 0 382.508 3.325 50 30 GGEARO C=CC[NH+](CC=C)[C@@H]1CCc2c(c(C(=O)N(C)Cc3ccoc3)nn2CC)C1 ZINC000014747206 527646746 /nfs/dbraw/zinc/64/67/46/527646746.db2.gz QOUGAUJKXCGTIB-GOSISDBHSA-N 1 0 382.508 3.300 50 30 GGEARO C[NH+](C)CCCNc1oc(COc2ccc(Br)cc2)nc1C#N ZINC000001805409 564186514 /nfs/dbraw/zinc/18/65/14/564186514.db2.gz KHCYPFVTTNDPST-UHFFFAOYSA-N 1 0 379.258 3.251 50 30 GGEARO OCCC#Cc1ccc(C[N@@H+]2CCC[C@@](CO)(Cc3ccc(F)cc3)C2)cc1 ZINC000011872897 570233959 /nfs/dbraw/zinc/23/39/59/570233959.db2.gz WTJCSMZUGDPTTJ-XMMPIXPASA-N 1 0 381.491 3.377 50 30 GGEARO OCCC#Cc1ccc(C[N@@H+]2CCC[C@](CO)(Cc3ccc(F)cc3)C2)cc1 ZINC000011872898 570233973 /nfs/dbraw/zinc/23/39/73/570233973.db2.gz WTJCSMZUGDPTTJ-DEOSSOPVSA-N 1 0 381.491 3.377 50 30 GGEARO C=C(C)CNC(=O)[C@H]1CCC[N@@H+](C2CCN(c3nc4ccccc4o3)CC2)C1 ZINC000011879461 570234461 /nfs/dbraw/zinc/23/44/61/570234461.db2.gz GBFSMBWVGVPCJV-KRWDZBQOSA-N 1 0 382.508 3.201 50 30 GGEARO C=CCOc1ccccc1C[NH+]1CCC(CCC(=O)N2CCN(CC)CC2)CC1 ZINC000011933283 570234610 /nfs/dbraw/zinc/23/46/10/570234610.db2.gz PIKPMBIJTVCBRT-UHFFFAOYSA-N 1 0 399.579 3.408 50 30 GGEARO C#CCN(CC=C)C(=O)c1ccccc1OC1CC[NH+](Cc2ccccn2)CC1 ZINC000011937277 570234647 /nfs/dbraw/zinc/23/46/47/570234647.db2.gz PINZWAWPYCQZFP-UHFFFAOYSA-N 1 0 389.499 3.386 50 30 GGEARO C=CCn1c2ccc(C)cc2cc(C[NH2+]C2CCN(C(=O)OCC)CC2)c1=O ZINC000012098810 570235023 /nfs/dbraw/zinc/23/50/23/570235023.db2.gz BBWXKMHHUVCLOX-UHFFFAOYSA-N 1 0 383.492 3.206 50 30 GGEARO C=CCOc1ccccc1C[N@H+]1CCC(=O)N(CCOc2ccccc2)CC1 ZINC000012164964 570235938 /nfs/dbraw/zinc/23/59/38/570235938.db2.gz GXHIZVUZOFVOIR-UHFFFAOYSA-N 1 0 380.488 3.365 50 30 GGEARO CC(C)(O)C#Cc1ccc(C(=O)N[C@H]2CCC[N@H+](CCc3ccccc3)C2)cc1 ZINC000012301900 570236359 /nfs/dbraw/zinc/23/63/59/570236359.db2.gz JUOUJINCXCCZCX-QHCPKHFHSA-N 1 0 390.527 3.246 50 30 GGEARO CC[NH+](CC)CCCN1C(=O)C(O)=C(C(=O)c2ccc(C)o2)[C@H]1c1ccncc1 ZINC000020135333 570241814 /nfs/dbraw/zinc/24/18/14/570241814.db2.gz JQGZEBKYMMBEEV-LJQANCHMSA-N 1 0 397.475 3.293 50 30 GGEARO C=C(C)C[N@@H+](CC)[C@H]1CCc2c(c(C(=O)NC)nn2CCc2ccccc2)C1 ZINC000014532837 570244860 /nfs/dbraw/zinc/24/48/60/570244860.db2.gz YVFYFSMZNJLOMN-IBGZPJMESA-N 1 0 380.536 3.241 50 30 GGEARO C=CC[NH+](CC=C)[C@H]1CCc2c(c(C(=O)NC)nn2CCc2ccccc2)C1 ZINC000014742860 570245740 /nfs/dbraw/zinc/24/57/40/570245740.db2.gz HLWODXNFWNCSTH-IBGZPJMESA-N 1 0 378.520 3.017 50 30 GGEARO C=CCOc1ccccc1CN1CC[N@H+](CCc2ccccc2)[C@H](CCO)C1 ZINC000020869472 570284042 /nfs/dbraw/zinc/28/40/42/570284042.db2.gz HSJMYZPDTFLVHG-HSZRJFAPSA-N 1 0 380.532 3.363 50 30 GGEARO C[NH+](C)CCN(C(=O)c1ccc(C#N)cc1)c1nc2cc3c(cc2s1)OCO3 ZINC000005121447 570420874 /nfs/dbraw/zinc/42/08/74/570420874.db2.gz ZTHVHWRVEZTUID-UHFFFAOYSA-N 1 0 394.456 3.105 50 30 GGEARO O=C(C[N+]12CCC(CC1)[C@@H](OC(=O)c1ccccc1)C2)c1ccc([N+](=O)[O-])cc1 ZINC000001826509 570436437 /nfs/dbraw/zinc/43/64/37/570436437.db2.gz XHURYJUTLLPSON-LBVATQBMSA-N 1 0 395.435 3.244 50 30 GGEARO CCOc1ccc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2CCC[NH+](C)C)cc1 ZINC000008744054 570539399 /nfs/dbraw/zinc/53/93/99/570539399.db2.gz XRCSMICDNNDHAK-WOOAAIBNSA-N 1 0 398.459 3.052 50 30 GGEARO Cc1ccc([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2CCC[NH+](C)C)cc1 ZINC000006813228 570616981 /nfs/dbraw/zinc/61/69/81/570616981.db2.gz FQOCGZPWYAWRND-GHNGSUTGSA-N 1 0 384.501 3.430 50 30 GGEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@H]1c1ccccn1 ZINC000005799437 570693068 /nfs/dbraw/zinc/69/30/68/570693068.db2.gz ZFKIUIYNAKCWIY-YDJIHCHBSA-N 1 0 393.487 3.154 50 30 GGEARO CCOC(=O)C[N+]12CCC(CC1)[C@H](C(O)(c1ccccc1)c1ccccc1)C2 ZINC000001867870 570821980 /nfs/dbraw/zinc/82/19/80/570821980.db2.gz SMJGBAZFCYTANQ-WRVMZKTCSA-N 1 0 380.508 3.342 50 30 GGEARO COc1ccc(CC(=[NH2+])NOC(=O)COc2cc(C)c(Cl)c(C)c2)cc1 ZINC000004723508 570862312 /nfs/dbraw/zinc/86/23/12/570862312.db2.gz ODRXJXUQMVJVPJ-UHFFFAOYSA-N 1 0 376.840 3.402 50 30 GGEARO Cc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@H]2c2cccs2)cc1F ZINC000019214417 570943233 /nfs/dbraw/zinc/94/32/33/570943233.db2.gz IQJWAUJKOAJNPQ-KRWDZBQOSA-N 1 0 388.464 3.336 50 30 GGEARO N#Cc1ccc(O[C@@H]2COCC[C@H]2NC(=O)C2([NH+]3CCCC3)CCCCC2)cc1 ZINC000222999046 570950048 /nfs/dbraw/zinc/95/00/48/570950048.db2.gz XZMIDNUUZDKWNC-NHCUHLMSSA-N 1 0 397.519 3.009 50 30 GGEARO C=C(C)C[NH+]1CCN(c2ncnc3c2cnn3Cc2ccccc2Cl)CC1 ZINC000006760801 571045784 /nfs/dbraw/zinc/04/57/84/571045784.db2.gz RCBFATPDENRILN-UHFFFAOYSA-N 1 0 382.899 3.226 50 30 GGEARO COc1ccc(C2(/C=N/OC[C@@H](O)C[NH2+]C(C)(C)C)CCCC2)cc1OC ZINC000003188359 1398327710 /nfs/dbraw/zinc/32/77/10/1398327710.db2.gz KDCNMBQNRSIXSS-BDFKGGEMSA-N 1 0 378.513 3.267 50 30 GGEARO C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](C[NH2+]Cc4ccc5c(c4)OCO5)[C@H]3[C@@H]3O[C@]312 ZINC000004028548 1398376675 /nfs/dbraw/zinc/37/66/75/1398376675.db2.gz JMJAYLXLEBJBLC-PTBVLRRJSA-N 1 0 399.487 3.030 50 30 biogenic GGEARO Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2ccncc2)c1 ZINC000008467794 1398832697 /nfs/dbraw/zinc/83/26/97/1398832697.db2.gz FFETUQHMZYAMJO-FQEVSTJZSA-N 1 0 393.487 3.228 50 30 GGEARO COc1cccc(CN2C[C@@H]3C[C@@H](C#Cc4ccccc4)[N@@H+]4CCC[C@@]34C2=O)c1 ZINC000011817846 1399013913 /nfs/dbraw/zinc/01/39/13/1399013913.db2.gz AOLBFYPEIMRADC-FBLLAGFSSA-N 1 0 386.495 3.312 50 30 GGEARO C=C(C)CN1C(=O)N[C@](CC)(C2CC[NH+](Cc3ccc(F)c(F)c3)CC2)C1=O ZINC000012156230 1399030976 /nfs/dbraw/zinc/03/09/76/1399030976.db2.gz ZIGJRAWHHAOJCC-OAQYLSRUSA-N 1 0 391.462 3.454 50 30 GGEARO COc1ccc(C[NH2+]C[C@@H]2C(=O)O[C@@H]3C[C@@]4(C)CCC[C@H](C)[C@@]45O[C@H]5[C@H]23)cc1 ZINC000012661496 1399051798 /nfs/dbraw/zinc/05/17/98/1399051798.db2.gz CSUXWMCNCBHXHE-JASRHFMUSA-N 1 0 385.504 3.310 50 30 biogenic GGEARO C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](C[NH2+]Cc4ccc5c(c4)OCO5)[C@H]3[C@@H]3O[C@]312 ZINC000012659855 1399051807 /nfs/dbraw/zinc/05/18/07/1399051807.db2.gz JMJAYLXLEBJBLC-SBLIQGRLSA-N 1 0 399.487 3.030 50 30 biogenic GGEARO C[N@H+](CCc1ccccn1)C[C@@H]1C(=O)O[C@@H]2C[C@@]3(C)CCC[C@]4(CO4)[C@@H]3C[C@H]12 ZINC000012661780 1399052039 /nfs/dbraw/zinc/05/20/39/1399052039.db2.gz JMHALWDHIFYNGT-WFTGQSOZSA-N 1 0 384.520 3.083 50 30 biogenic GGEARO O=C1N(c2ccccc2)C[C@@H]2C[C@@H](c3ccc(C#CCCO)cc3)[N@H+]3CCC[C@@]123 ZINC000012716576 1399055629 /nfs/dbraw/zinc/05/56/29/1399055629.db2.gz LMHZRPBNMRLGKW-RSEQLOHWSA-N 1 0 386.495 3.363 50 30 GGEARO C=CCn1nc(C(=O)N2CCCC2)c2c1CC[C@H]([NH2+]CCc1ccc(F)cc1)C2 ZINC000014531341 1399109683 /nfs/dbraw/zinc/10/96/83/1399109683.db2.gz XPSMLFCJSZYQEH-IBGZPJMESA-N 1 0 396.510 3.134 50 30 GGEARO CCC[N@H+](C)[C@@H]1c2ccccc2C2(CCN(c3ccc(C#N)cn3)CC2)[C@H]1O ZINC000020864610 1399354931 /nfs/dbraw/zinc/35/49/31/1399354931.db2.gz GMINBBCJPHKZTF-YADHBBJMSA-N 1 0 376.504 3.249 50 30 GGEARO Cc1cnc(CN2C[C@@]3(CCC[N@H+](Cc4ccccc4C#N)C3)CCC2=O)cn1 ZINC000091656050 1410075059 /nfs/dbraw/zinc/07/50/59/1410075059.db2.gz ISGQMSLYZKIPMW-QHCPKHFHSA-N 1 0 389.503 3.062 50 30 GGEARO N#Cc1cccc(C[NH+]2CCC3(CCC(=O)N(CCc4ccccn4)C3)CC2)c1 ZINC000091876981 1410089200 /nfs/dbraw/zinc/08/92/00/1410089200.db2.gz GGWYIOBNTXXPLI-UHFFFAOYSA-N 1 0 388.515 3.401 50 30 GGEARO COc1ccc([C@@H]2CN(C(=O)c3ccccc3C#N)[C@H]3[C@@H]2[NH+]2CCC3CC2)cc1 ZINC000095354823 1410310001 /nfs/dbraw/zinc/31/00/01/1410310001.db2.gz DQZUEOQHHLJVMO-YTFSRNRJSA-N 1 0 387.483 3.269 50 30 GGEARO N#Cc1ccc(C(=O)N2C[C@@H](c3ccc(F)cc3)[C@@H]3[C@H]2C2CC[NH+]3CC2)cc1 ZINC000095356372 1410310085 /nfs/dbraw/zinc/31/00/85/1410310085.db2.gz VLJAMLBXSXXZPF-BHDDXSALSA-N 1 0 375.447 3.400 50 30 GGEARO N#Cc1cccc(C[N@@H+]2C[C@@H](c3ccc4c(c3)OCO4)[C@@H]3[C@H]2C2CCN3CC2)c1 ZINC000095391462 1410310107 /nfs/dbraw/zinc/31/01/07/1410310107.db2.gz QBGGNZSHVAQHPW-TUACAJSNSA-N 1 0 387.483 3.349 50 30 GGEARO C[C@]12CCC[C@]3(CO3)[C@@H]1C[C@@H]1[C@H](C[N@H+](CCO)Cc3ccccc3)C(=O)O[C@@H]1C2 ZINC000252695155 1433864408 /nfs/dbraw/zinc/86/44/08/1433864408.db2.gz VTCCECULTVEOLP-KVOBWYIXSA-N 1 0 399.531 3.008 50 30 biogenic GGEARO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)c1ccc(-c2ccccc2C#N)cc1 ZINC000426387881 231211974 /nfs/dbraw/zinc/21/19/74/231211974.db2.gz OKEWFVZWHFMORP-NRFANRHFSA-N 1 0 377.488 3.408 50 30 GGEARO C=C(C)C[NH+]1CCN(c2ncnc3c2cnn3Cc2ccc(Cl)cc2)CC1 ZINC000006764637 206229792 /nfs/dbraw/zinc/22/97/92/206229792.db2.gz AGJUVMIURQMZJH-UHFFFAOYSA-N 1 0 382.899 3.226 50 30 GGEARO CC(C)(O)C#Cc1ccc(CN2CC[N@@H+](C3CCCCC3)[C@@H](CCO)C2)cc1 ZINC000020540798 206251994 /nfs/dbraw/zinc/25/19/94/206251994.db2.gz IVTUZADYGBIAHW-QHCPKHFHSA-N 1 0 384.564 3.010 50 30 GGEARO CC(C)N(C(=O)C[n+]1ccc(C(=O)NCc2ccccc2)cc1)c1ccccc1 ZINC000001903214 206395142 /nfs/dbraw/zinc/39/51/42/206395142.db2.gz FDNYKRIBOAWTBK-UHFFFAOYSA-O 1 0 388.491 3.346 50 30 GGEARO NC(=O)C1([NH+]2CCCCC2)CCN(C(=S)Nc2cccc(Cl)c2)CC1 ZINC000008691687 206759516 /nfs/dbraw/zinc/75/95/16/206759516.db2.gz NIGXTFMNKGFWAI-UHFFFAOYSA-N 1 0 380.945 3.063 50 30 GGEARO CC[NH+](CC)CCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1ccncc1 ZINC000020134946 207178877 /nfs/dbraw/zinc/17/88/77/207178877.db2.gz MFMDDNKKCIZTDD-FQEVSTJZSA-N 1 0 393.487 3.392 50 30 GGEARO CC[NH+](CC)CCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1ccccn1 ZINC000019938506 207172290 /nfs/dbraw/zinc/17/22/90/207172290.db2.gz WYKSGIVWAVWPTJ-FQEVSTJZSA-N 1 0 393.487 3.392 50 30 GGEARO CC[NH+](CC)CCCN1C(=O)C(O)=C(C(=O)c2ccc(C)o2)[C@@H]1c1ccncc1 ZINC000020135330 207179282 /nfs/dbraw/zinc/17/92/82/207179282.db2.gz JQGZEBKYMMBEEV-IBGZPJMESA-N 1 0 397.475 3.293 50 30 GGEARO Cc1cnc(CN2C[C@@]3(CCC[N@H+](Cc4cccc(C#N)c4)C3)CCC2=O)cn1 ZINC000091585588 208125953 /nfs/dbraw/zinc/12/59/53/208125953.db2.gz KSDQVAXNEJIEJR-QHCPKHFHSA-N 1 0 389.503 3.062 50 30 GGEARO Cc1noc(C)c1CN1CC2(CC1=O)CC[NH+](Cc1cccc(C#N)c1)CC2 ZINC000091621446 208126740 /nfs/dbraw/zinc/12/67/40/208126740.db2.gz PCOVBLKJGIGJBT-UHFFFAOYSA-N 1 0 378.476 3.178 50 30 GGEARO N#Cc1ccc(C[N@H+]2CCC[C@@]3(CCC(=O)N(CCc4ccccn4)C3)C2)cc1 ZINC000091656861 208128203 /nfs/dbraw/zinc/12/82/03/208128203.db2.gz AYHLZWHQNWCQIJ-XMMPIXPASA-N 1 0 388.515 3.401 50 30 GGEARO Cc1cnc(CN2C[C@]3(CCC[N@H+](Cc4ccccc4C#N)C3)CCC2=O)cn1 ZINC000091656051 208130153 /nfs/dbraw/zinc/13/01/53/208130153.db2.gz ISGQMSLYZKIPMW-HSZRJFAPSA-N 1 0 389.503 3.062 50 30 GGEARO CCCC[N@@H+]1CCc2nc[nH]c2C12CCN(C(=O)c1cccc(C#N)c1)CC2 ZINC000091391354 208116551 /nfs/dbraw/zinc/11/65/51/208116551.db2.gz AEQQIIUVFYKPFH-UHFFFAOYSA-N 1 0 377.492 3.071 50 30 GGEARO Cc1noc(C)c1CN1CC2(CC1=O)CC[NH+](Cc1ccccc1C#N)CC2 ZINC000095356073 208158617 /nfs/dbraw/zinc/15/86/17/208158617.db2.gz UHJCSXQYZFQHTL-UHFFFAOYSA-N 1 0 378.476 3.178 50 30 GGEARO COc1ccc(C[N@@H+]2C[C@@H]3CC[C@H](C2)N(C(=O)c2ccc(C#N)cc2)C3)cc1 ZINC000095371802 208166925 /nfs/dbraw/zinc/16/69/25/208166925.db2.gz PIDZWPNGVSPXFN-PZJWPPBQSA-N 1 0 375.472 3.303 50 30 GGEARO COc1ccc([C@@H]2CN(C(=O)c3ccc(C#N)cc3)[C@H]3[C@@H]2[NH+]2CCC3CC2)cc1 ZINC000095375858 208169105 /nfs/dbraw/zinc/16/91/05/208169105.db2.gz CIYWZNZLDZZILI-YTFSRNRJSA-N 1 0 387.483 3.269 50 30 GGEARO COCCN(Cc1c[nH]c(C#N)c1)C[C@@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1 ZINC000095505931 208208124 /nfs/dbraw/zinc/20/81/24/208208124.db2.gz CCHUOAJFIBHHOX-IBGZPJMESA-N 1 0 392.547 3.214 50 30 GGEARO C[NH+](C)CCCn1ccnc1[C@H]1CCCN(C(=O)Nc2cccc(C#N)c2)C1 ZINC000095497413 208197720 /nfs/dbraw/zinc/19/77/20/208197720.db2.gz QQBBRZSZPRWPBC-SFHVURJKSA-N 1 0 380.496 3.118 50 30 GGEARO N#Cc1ccccc1C(=O)N1CCC2(CC[NH+](C3CCCC3)CC2)[C@@H](CO)C1 ZINC000097600997 208358054 /nfs/dbraw/zinc/35/80/54/208358054.db2.gz CILIPLSGLHUYTC-LJQANCHMSA-N 1 0 381.520 3.037 50 30 GGEARO N#Cc1ccc(N2CCC([NH2+]CCN3CC[C@H](c4ccccc4)C3)CC2)nc1 ZINC000095525150 136181443 /nfs/dbraw/zinc/18/14/43/136181443.db2.gz DEYGTXHHUUQKBX-NRFANRHFSA-N 1 0 375.520 3.001 50 30 GGEARO C=C(Cl)Cn1c2cc(OC)c(OC)cc2cc(C[NH2+]CC(C)(C)OC)c1=O ZINC000014987279 518652781 /nfs/dbraw/zinc/65/27/81/518652781.db2.gz YWHBMRASALDNPK-UHFFFAOYSA-N 1 0 394.899 3.286 50 30 GGEARO C=CCCC(=O)N1CCC2(CN(CCC[N@@H+](C)C3CCCCC3)C(=O)O2)CC1 ZINC000077378466 518692120 /nfs/dbraw/zinc/69/21/20/518692120.db2.gz CKCLBECYMVOTIA-UHFFFAOYSA-N 1 0 391.556 3.421 50 30 GGEARO C=CCCC(=O)N1CCC2(CN(CC[N@@H+](C)C3CCCCC3)C(=O)O2)CC1 ZINC000077287975 518692697 /nfs/dbraw/zinc/69/26/97/518692697.db2.gz JZSXNPNJPRFVNO-UHFFFAOYSA-N 1 0 377.529 3.031 50 30 GGEARO C=CC[N@H+]1CCC[C@@H]1C(=O)N1CCC(O)(c2ccc3nc(C)ccc3c2)CC1 ZINC000067804325 518859824 /nfs/dbraw/zinc/85/98/24/518859824.db2.gz PWRJFJXUPSJZRM-OAQYLSRUSA-N 1 0 379.504 3.004 50 30 GGEARO C=CCSc1nnc([C@H]2CCC[N@@H+](Cc3cccc(OC)c3OC)C2)n1C ZINC000014954442 519091117 /nfs/dbraw/zinc/09/11/17/519091117.db2.gz JDLMQALNAFVHPR-INIZCTEOSA-N 1 0 388.537 3.490 50 30 GGEARO C=CCn1cc(C[N@H+]2C[C@@H](c3ccc(OC)cc3)[C@@H]3[C@H]2C2CCN3CC2)c(C)n1 ZINC000095383515 519279789 /nfs/dbraw/zinc/27/97/89/519279789.db2.gz AYDKOBGQOULJOU-RBZQAINGSA-N 1 0 392.547 3.448 50 30 GGEARO CC(C)(O)C#Cc1ccc(CN2CC[N@@H+](C3CCCCC3)[C@H](CCO)C2)cc1 ZINC000036385783 519330047 /nfs/dbraw/zinc/33/00/47/519330047.db2.gz IVTUZADYGBIAHW-HSZRJFAPSA-N 1 0 384.564 3.010 50 30 GGEARO CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2ccco2)cc1 ZINC000102856988 519778256 /nfs/dbraw/zinc/77/82/56/519778256.db2.gz YWAQCHLBXSDNLH-LFVOPCPISA-N 1 0 398.459 3.050 50 30 GGEARO CC[NH+]=C(NCCc1ccccc1)S[C@H]1CC(=O)N(c2ccccc2)C1=O ZINC000100064732 520203865 /nfs/dbraw/zinc/20/38/65/520203865.db2.gz LXWJXYULYOIJGX-SFHVURJKSA-N 1 0 381.501 3.260 50 30 GGEARO CCCOc1ccc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2CC[NH+](C)C)cc1 ZINC000020262830 520423023 /nfs/dbraw/zinc/42/30/23/520423023.db2.gz HAKCMFUPYRKLOC-LJQANCHMSA-N 1 0 398.459 3.208 50 30 GGEARO CCCOc1cccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@H]2c2ccco2)c1 ZINC000019973909 520438095 /nfs/dbraw/zinc/43/80/95/520438095.db2.gz LZUHFMNNGBLWTL-IBGZPJMESA-N 1 0 398.459 3.208 50 30 GGEARO CCCOc1cccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2ccco2)c1 ZINC000019973907 520438901 /nfs/dbraw/zinc/43/89/01/520438901.db2.gz LZUHFMNNGBLWTL-LJQANCHMSA-N 1 0 398.459 3.208 50 30 GGEARO CCCOc1cccc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2CC[NH+](C)C)c1 ZINC000020262874 520467944 /nfs/dbraw/zinc/46/79/44/520467944.db2.gz MZEPEVPXVZUAPS-LJQANCHMSA-N 1 0 398.459 3.208 50 30 GGEARO CC[NH+](CC)CCCN1C(=O)C(O)=C(C(=O)c2ccc(C)o2)[C@@H]1c1cccnc1 ZINC000020135438 520599704 /nfs/dbraw/zinc/59/97/04/520599704.db2.gz JWNHXQYPEZMRSY-IBGZPJMESA-N 1 0 397.475 3.293 50 30 GGEARO CC[NH+](CC)CCCN1C(=O)C(O)=C(C(=O)c2ccc(C)o2)[C@H]1c1ccco1 ZINC000020119930 520601155 /nfs/dbraw/zinc/60/11/55/520601155.db2.gz NZRZOIGCOUYMBN-GOSISDBHSA-N 1 0 386.448 3.491 50 30 GGEARO CC[NH+](CC)CCCN1C(=O)C(O)=C(C(=O)c2cccs2)[C@@H]1c1ccccn1 ZINC000013571123 520602455 /nfs/dbraw/zinc/60/24/55/520602455.db2.gz SETKDIRHRVTFSD-SFHVURJKSA-N 1 0 399.516 3.453 50 30 GGEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccco2)[C@@H]1c1ccc(OC)cc1 ZINC000008915064 520654757 /nfs/dbraw/zinc/65/47/57/520654757.db2.gz GOPGFZACETVVNF-WOOAAIBNSA-N 1 0 398.459 3.052 50 30 GGEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1ccccn1 ZINC000020229348 520657494 /nfs/dbraw/zinc/65/74/94/520657494.db2.gz GGCVFDQIQFXQEN-LJQANCHMSA-N 1 0 397.450 3.141 50 30 GGEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@H]1c1cccnc1 ZINC000013127732 520657996 /nfs/dbraw/zinc/65/79/96/520657996.db2.gz RTEVBHWQNNDLIP-HXUWFJFHSA-N 1 0 393.487 3.310 50 30 GGEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccncc2)[C@H]1c1ccc(F)cc1 ZINC000019882187 520659637 /nfs/dbraw/zinc/65/96/37/520659637.db2.gz FCZVCRIIUFBHNH-LJQANCHMSA-N 1 0 397.450 3.141 50 30 GGEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccncc2)[C@@H]1c1ccccc1 ZINC000013127186 520660697 /nfs/dbraw/zinc/66/06/97/520660697.db2.gz SFIHHWSGLJCCGL-IBGZPJMESA-N 1 0 379.460 3.002 50 30 GGEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2cccc(OC)c2)[C@H]1c1ccco1 ZINC000019973954 520660966 /nfs/dbraw/zinc/66/09/66/520660966.db2.gz MXKHKAXOPSTYFH-LJQANCHMSA-N 1 0 398.459 3.208 50 30 GGEARO CCOc1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2CC[NH+](C)C)cc1 ZINC000005444591 521265858 /nfs/dbraw/zinc/26/58/58/521265858.db2.gz ICVYACXIHFYFLF-NHFXJNLRSA-N 1 0 394.471 3.069 50 30 GGEARO C[NH+](C)CCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1ccccc1Cl ZINC000019880437 521758139 /nfs/dbraw/zinc/75/81/39/521758139.db2.gz ILWPYGYKNLKRNJ-GOSISDBHSA-N 1 0 384.863 3.480 50 30 GGEARO COc1ccc(-c2c[n+](CC(=O)Nc3ccc(C(C)=O)cc3)c3n2CCC3)cc1 ZINC000013787092 523081183 /nfs/dbraw/zinc/08/11/83/523081183.db2.gz FQWMLUGSWPKYMP-UHFFFAOYSA-O 1 0 390.463 3.239 50 30 GGEARO COc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2ccccc2)cc1C ZINC000000922152 523555630 /nfs/dbraw/zinc/55/56/30/523555630.db2.gz ZNOJYBXWPRYWQY-HXUWFJFHSA-N 1 0 394.471 3.144 50 30 GGEARO COc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@H]2c2ccccc2)cc1C ZINC000000922148 523557182 /nfs/dbraw/zinc/55/71/82/523557182.db2.gz ZNOJYBXWPRYWQY-FQEVSTJZSA-N 1 0 394.471 3.144 50 30 GGEARO COc1ccc(CC(=[NH2+])NOC(=O)COc2ccc3ccccc3c2)cc1OC ZINC000004957010 523865271 /nfs/dbraw/zinc/86/52/71/523865271.db2.gz RRWPQWQQOISAGK-UHFFFAOYSA-N 1 0 394.427 3.294 50 30 GGEARO C[NH+](C)CCCN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@H]1c1ccco1 ZINC000004427659 524054233 /nfs/dbraw/zinc/05/42/33/524054233.db2.gz BZDFWUTYSXPHCN-LFVOPCPISA-N 1 0 394.427 3.399 50 30 GGEARO C[NH+](C)CCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1ccc(F)cc1 ZINC000019996917 524054575 /nfs/dbraw/zinc/05/45/75/524054575.db2.gz QVOQZFMRFSUICF-IBGZPJMESA-N 1 0 382.435 3.356 50 30 GGEARO C[NH+](C)CCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@H]1c1ccncc1 ZINC000019928023 524055140 /nfs/dbraw/zinc/05/51/40/524055140.db2.gz MXGPFDDZSKCYQI-GOSISDBHSA-N 1 0 399.878 3.265 50 30 GGEARO COc1cccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2CCC[NH+](C)C)c1 ZINC000019809166 524170309 /nfs/dbraw/zinc/17/03/09/524170309.db2.gz DTZUDMFELLMWOT-FQEVSTJZSA-N 1 0 394.471 3.225 50 30 GGEARO COc1cccc([C@H]2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2CCC[NH+](C)C)c1 ZINC000020029551 524170822 /nfs/dbraw/zinc/17/08/22/524170822.db2.gz HQCCQAYOUQUWSA-IBGZPJMESA-N 1 0 398.459 3.127 50 30 GGEARO Cc1cc(OCC(=O)ONC(=[NH2+])Cc2ccc([N+](=O)[O-])cc2)cc(C)c1Cl ZINC000005094397 525367146 /nfs/dbraw/zinc/36/71/46/525367146.db2.gz WHJFYWUTBLLOKR-UHFFFAOYSA-N 1 0 391.811 3.302 50 30 GGEARO COc1cccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2ccccc2)c1 ZINC000020131610 525782260 /nfs/dbraw/zinc/78/22/60/525782260.db2.gz NKDFJENFYVQRNQ-FQEVSTJZSA-N 1 0 394.471 3.225 50 30 GGEARO COc1cccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2ccccc2)c1 ZINC000020131606 525782890 /nfs/dbraw/zinc/78/28/90/525782890.db2.gz NKDFJENFYVQRNQ-HXUWFJFHSA-N 1 0 394.471 3.225 50 30 GGEARO Cc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2CCC[NH+](C)C)o1 ZINC000102861628 525786252 /nfs/dbraw/zinc/78/62/52/525786252.db2.gz BOFMYSDDYPHTKG-LFVOPCPISA-N 1 0 382.460 3.270 50 30 GGEARO Cc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2CCC[NH+](C)C)o1 ZINC000019927957 525791244 /nfs/dbraw/zinc/79/12/44/525791244.db2.gz VRTXEZVGPJRUQS-GOSISDBHSA-N 1 0 386.423 3.257 50 30 GGEARO Cc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2CC[NH+](C)C)o1 ZINC000019928014 525791324 /nfs/dbraw/zinc/79/13/24/525791324.db2.gz BBOXQZXHPYEBIU-QGZVFWFLSA-N 1 0 388.851 3.381 50 30 GGEARO Cc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2ccc(F)cc2)cc1 ZINC000102517772 525944707 /nfs/dbraw/zinc/94/47/07/525944707.db2.gz POWLUAGCJUIIQT-LFVOPCPISA-N 1 0 382.435 3.117 50 30 GGEARO Cc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2CCC[NH+](C)C)o1 ZINC000102861626 525980138 /nfs/dbraw/zinc/98/01/38/525980138.db2.gz BOFMYSDDYPHTKG-WOOAAIBNSA-N 1 0 382.460 3.270 50 30 GGEARO Cc1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2CCC[NH+](C)C)cc1 ZINC000004311306 525981209 /nfs/dbraw/zinc/98/12/09/525981209.db2.gz IVUNTGRYZAUMEI-NHFXJNLRSA-N 1 0 378.472 3.368 50 30 GGEARO Cc1ccc([C@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2CC[NH+](C)C)o1 ZINC000017122486 525984495 /nfs/dbraw/zinc/98/44/95/525984495.db2.gz UZBMRPSSWVHSPL-IBGZPJMESA-N 1 0 394.427 3.474 50 30 GGEARO Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2ccccc2)s1 ZINC000102928349 526688735 /nfs/dbraw/zinc/68/87/35/526688735.db2.gz QHGNPKPTSPJATD-GROYHEBESA-N 1 0 399.516 3.133 50 30 GGEARO O=C(C[n+]1ccc(Cc2ccc([N+](=O)[O-])cc2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000004566419 527195552 /nfs/dbraw/zinc/19/55/52/527195552.db2.gz ASWSJLVWTJAJLR-UHFFFAOYSA-N 1 0 378.364 3.264 50 30 GGEARO C=CCn1nc(C(=O)N2CCCCC2)c2c1CC[C@H]([NH2+]Cc1ccccc1)C2 ZINC000014754643 527390189 /nfs/dbraw/zinc/39/01/89/527390189.db2.gz DNVILYRTALEYDP-IBGZPJMESA-N 1 0 378.520 3.342 50 30 GGEARO OCC#Cc1csc(C[NH2+][C@@H]2CCCN(c3nc4ccccc4s3)C2)c1 ZINC000055100234 527520795 /nfs/dbraw/zinc/52/07/95/527520795.db2.gz UGSLMXUYCCSZSH-MRXNPFEDSA-N 1 0 383.542 3.460 50 30 GGEARO Cn1nnc2c[n+](CC(=O)c3ccc4ccccc4c3)cc(Br)c21 ZINC000002274391 564186351 /nfs/dbraw/zinc/18/63/51/564186351.db2.gz OXTWOFOMWUURDJ-UHFFFAOYSA-N 1 0 382.241 3.054 50 30 GGEARO Cc1ccc(C(=[NH2+])NOC(=O)COc2ccc(Br)cc2C)cc1 ZINC000004845094 564208232 /nfs/dbraw/zinc/20/82/32/564208232.db2.gz WLLVOCGJSLYQFS-UHFFFAOYSA-N 1 0 377.238 3.308 50 30 GGEARO Cc1ccc(C(=[NH2+])NOC(=O)c2cccc(I)c2)cc1 ZINC000004898278 564209460 /nfs/dbraw/zinc/20/94/60/564209460.db2.gz BQSDZVUIZWDQFP-UHFFFAOYSA-N 1 0 380.185 3.077 50 30 GGEARO [NH2+]=C(Cc1ccc([N+](=O)[O-])cc1)NOC(=O)c1ccc(Br)cc1 ZINC000013154188 564274453 /nfs/dbraw/zinc/27/44/53/564274453.db2.gz PQAVHWXDEXXRKK-UHFFFAOYSA-N 1 0 378.182 3.029 50 30 GGEARO C=CCn1nc(C(=O)N2CCCCCC2)c2c1CC[C@@H]([NH2+]Cc1ccco1)C2 ZINC000014541233 570244733 /nfs/dbraw/zinc/24/47/33/570244733.db2.gz XUOWTDKPKHJXJV-QGZVFWFLSA-N 1 0 382.508 3.325 50 30 GGEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@H]1c1ccco1 ZINC000020188631 570246522 /nfs/dbraw/zinc/24/65/22/570246522.db2.gz TUMDRVKSAXRRKN-LJQANCHMSA-N 1 0 398.459 3.208 50 30 GGEARO C=CCSc1nnc([C@H]2CCC[N@@H+](Cc3ccc(OC)c(OC)c3)C2)n1C ZINC000015067242 570246846 /nfs/dbraw/zinc/24/68/46/570246846.db2.gz GGACVFLUZLXNQD-INIZCTEOSA-N 1 0 388.537 3.490 50 30 GGEARO C[N@H+](CCc1ccccn1)C[C@@H]1C(=O)O[C@@H]2C[C@@]3(C)CCC[C@]4(CO4)[C@H]3C[C@H]12 ZINC000035361884 570344570 /nfs/dbraw/zinc/34/45/70/570344570.db2.gz JMHALWDHIFYNGT-OBGHECQKSA-N 1 0 384.520 3.083 50 30 biogenic GGEARO O=C(C1=C(O)C(=O)N(CCCn2ccnc2)[C@H]1c1ccco1)c1ccc(F)cc1 ZINC000104190490 570417087 /nfs/dbraw/zinc/41/70/87/570417087.db2.gz PWSGXGWDCFBMEB-GHNGSUTGSA-N 1 0 395.390 3.127 50 30 GGEARO COc1ccc(C(=O)ONC(=[NH2+])Cc2cccc3ccccc32)cc1[N+](=O)[O-] ZINC000004907202 570498978 /nfs/dbraw/zinc/49/89/78/570498978.db2.gz ALTBEQGLDUZAOD-UHFFFAOYSA-N 1 0 379.372 3.428 50 30 GGEARO CC[NH+](CC)CCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1ccccn1 ZINC000004326230 570568818 /nfs/dbraw/zinc/56/88/18/570568818.db2.gz HDWNFSIHDZGZRG-YDJIHCHBSA-N 1 0 393.487 3.235 50 30 GGEARO CC[NH+](CC)CCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1ccco1 ZINC000005799428 570692574 /nfs/dbraw/zinc/69/25/74/570692574.db2.gz AEPVKFVFJVWGDA-WOOAAIBNSA-N 1 0 382.460 3.433 50 30 GGEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@@H]1c1ccco1 ZINC000005799469 570693083 /nfs/dbraw/zinc/69/30/83/570693083.db2.gz BTVUGMWHUMILQE-WOOAAIBNSA-N 1 0 382.460 3.352 50 30 GGEARO C[C@H]1C2=C(CC(C)(C)CC2=O)Nc2ccccc2N1CC(=O)NCCC[NH+](C)C ZINC000012652031 570695470 /nfs/dbraw/zinc/69/54/70/570695470.db2.gz AKGOJBVCWNLASB-INIZCTEOSA-N 1 0 398.551 3.018 50 30 GGEARO COc1cccc2cc(-c3csc(NN=C4CC[NH+](C)CC4)n3)c(=O)oc21 ZINC000004539589 570851527 /nfs/dbraw/zinc/85/15/27/570851527.db2.gz ULHCMXYNHAOHDF-UHFFFAOYSA-N 1 0 384.461 3.419 50 30 GGEARO COc1ccc(C(=O)N2CCC(C#N)CC2)cc1OC1CC[NH+](C(C)C)CC1 ZINC000095525688 571090748 /nfs/dbraw/zinc/09/07/48/571090748.db2.gz KJACSKSPMLKXDT-UHFFFAOYSA-N 1 0 385.508 3.323 50 30 GGEARO C[C@]12CCC[C@]3(CO3)[C@H]1C[C@H]1[C@@H](C2)OC(=O)[C@@H]1C[N@H+](CCO)Cc1ccccc1 ZINC000004028008 1398376705 /nfs/dbraw/zinc/37/67/05/1398376705.db2.gz VTCCECULTVEOLP-MUWCXKAGSA-N 1 0 399.531 3.008 50 30 biogenic GGEARO C[NH+](C)CCCN1C(=O)C(O)=C(C(=O)c2cccs2)[C@H]1c1ccccc1F ZINC000008996988 1398851497 /nfs/dbraw/zinc/85/14/97/1398851497.db2.gz LIHZSSSFGSXLAN-GROYHEBESA-N 1 0 388.464 3.261 50 30 GGEARO C[C@]12CCC[C@]3(CO3)[C@H]1C[C@@H]1[C@H](C[NH2+]CCc3ccc(F)cc3)C(=O)O[C@@H]1C2 ZINC000012660021 1399051665 /nfs/dbraw/zinc/05/16/65/1399051665.db2.gz MMPZDIHKVXWPMI-OBGHECQKSA-N 1 0 387.495 3.485 50 30 biogenic GGEARO C=CCn1nc(C(=O)N(C)C)c2c1CC[C@@H]([NH2+]Cc1ccc(Cl)s1)C2 ZINC000014752912 1399118464 /nfs/dbraw/zinc/11/84/64/1399118464.db2.gz GXPVOJWKZMUSBA-GFCCVEGCSA-N 1 0 378.929 3.133 50 30 GGEARO CC(C)N(CC[NH2+]C[C@@H]1C(=O)O[C@@H]2C[C@@]3(C)CCC[C@@]4(CO4)[C@@H]3C[C@H]12)C(C)C ZINC000020612399 1399350019 /nfs/dbraw/zinc/35/00/19/1399350019.db2.gz MJHAVTISRMMQFD-LCLYZWHDSA-N 1 0 392.584 3.222 50 30 biogenic GGEARO CC(C)N(CC[NH2+]C[C@@H]1C(=O)O[C@@H]2C[C@@]3(C)CCC[C@@]4(CO4)[C@H]3C[C@H]12)C(C)C ZINC000020612395 1399350175 /nfs/dbraw/zinc/35/01/75/1399350175.db2.gz MJHAVTISRMMQFD-PCSPUAFNSA-N 1 0 392.584 3.222 50 30 biogenic GGEARO [NH2+]=C(Cc1ccc([N+](=O)[O-])cc1)NOC(=O)c1ccccc1Br ZINC000018173038 210214069 /nfs/dbraw/zinc/21/40/69/210214069.db2.gz QUZTWGZXAYXRIU-UHFFFAOYSA-N 1 0 378.182 3.029 50 30 GGEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1ccncc1 ZINC000013127718 210051885 /nfs/dbraw/zinc/05/18/85/210051885.db2.gz UZTBPMGMTYSIOU-LJQANCHMSA-N 1 0 397.450 3.141 50 30 GGEARO CCOC(=O)C[N+]12CCC(CC1)[C@@H](C(O)(c1ccccc1)c1ccccc1)C2 ZINC000001867871 209341900 /nfs/dbraw/zinc/34/19/00/209341900.db2.gz SMJGBAZFCYTANQ-WQNVSQMQSA-N 1 0 380.508 3.342 50 30 GGEARO C=C(C)C[N@@H+](CC)[C@H]1CCc2c(c(C(=O)NCCc3ccccc3)nn2C)C1 ZINC000014542922 209167364 /nfs/dbraw/zinc/16/73/64/209167364.db2.gz XMRLHSAKBJADKA-IBGZPJMESA-N 1 0 380.536 3.148 50 30 GGEARO C=CCn1nc(C(=O)N2CCCCCC2)c2c1CC[C@H]([NH2+]Cc1cccnc1)C2 ZINC000014745972 209166868 /nfs/dbraw/zinc/16/68/68/209166868.db2.gz FZEVQMHIPGWCPT-IBGZPJMESA-N 1 0 393.535 3.127 50 30 GGEARO CC(C)(O)C#Cc1ccc(C[N@H+]2CCC(=O)N(Cc3cccc(F)c3)CC2)cc1 ZINC000012243988 209164403 /nfs/dbraw/zinc/16/44/03/209164403.db2.gz NCJSUQPDAHNOMZ-UHFFFAOYSA-N 1 0 394.490 3.183 50 30 GGEARO CC(C)(O)C#Cc1ccc(C(=O)N[C@@H]2CCC[N@H+](CCc3ccccc3)C2)cc1 ZINC000012301898 209163229 /nfs/dbraw/zinc/16/32/29/209163229.db2.gz JUOUJINCXCCZCX-HSZRJFAPSA-N 1 0 390.527 3.246 50 30 GGEARO C/C(=[NH+]/c1ccc(F)cc1)N(C)CCNS(=O)(=O)c1ccc(Cl)cc1 ZINC000100471005 211386270 /nfs/dbraw/zinc/38/62/70/211386270.db2.gz OMAGXKHTVIIRLA-BKUYFWCQSA-N 1 0 383.876 3.439 50 30 GGEARO N#Cc1ccccc1C[NH+]1CCC(c2nnc(Cn3ccnc3)n2C2CC2)CC1 ZINC000096149546 211310253 /nfs/dbraw/zinc/31/02/53/211310253.db2.gz UWCOQKUANSUSHH-UHFFFAOYSA-N 1 0 387.491 3.109 50 30 GGEARO COCCN(Cc1c[nH]c(C#N)c1)C[C@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1 ZINC000095505932 211256851 /nfs/dbraw/zinc/25/68/51/211256851.db2.gz CCHUOAJFIBHHOX-LJQANCHMSA-N 1 0 392.547 3.214 50 30 GGEARO Cc1cnc(CN2CC3(CCC2=O)CC[NH+](Cc2cccc(C#N)c2)CC3)cn1 ZINC000092019796 211213380 /nfs/dbraw/zinc/21/33/80/211213380.db2.gz FONTXUGVAUEWSN-UHFFFAOYSA-N 1 0 389.503 3.062 50 30 GGEARO N#Cc1ccccc1C(=O)NCc1cc2n(n1)CCC[N@@H+](C1CCCCC1)C2 ZINC000091665407 211203553 /nfs/dbraw/zinc/20/35/53/211203553.db2.gz NCVFZTIQQCZFQF-UHFFFAOYSA-N 1 0 377.492 3.223 50 30 GGEARO N#Cc1cccc(C(=O)NCc2cc3n(n2)CCC[N@@H+](C2CCCCC2)C3)c1 ZINC000091849063 211208251 /nfs/dbraw/zinc/20/82/51/211208251.db2.gz RFTSZMZOYNSVCB-UHFFFAOYSA-N 1 0 377.492 3.223 50 30 GGEARO Cc1cnc(CN2C[C@@]3(CCC[N@H+](Cc4ccc(C#N)cc4)C3)CCC2=O)cn1 ZINC000091391272 211190836 /nfs/dbraw/zinc/19/08/36/211190836.db2.gz HPXBLNPIPAUWNO-QHCPKHFHSA-N 1 0 389.503 3.062 50 30 GGEARO N#Cc1ccc(C[NH+]2CCC3(CCC(=O)N(CCc4ccccn4)C3)CC2)cc1 ZINC000091364493 211190291 /nfs/dbraw/zinc/19/02/91/211190291.db2.gz KIDLPIBKESBAHL-UHFFFAOYSA-N 1 0 388.515 3.401 50 30 GGEARO Cc1cnc(CN2C[C@]3(CCC[N@H+](Cc4ccc(C#N)cc4)C3)CCC2=O)cn1 ZINC000091391273 211190029 /nfs/dbraw/zinc/19/00/29/211190029.db2.gz HPXBLNPIPAUWNO-HSZRJFAPSA-N 1 0 389.503 3.062 50 30 GGEARO CCn1cc(C[N@@H+]2C[C@@H](c3cccc(O)c3)[C@@H]3[C@H]2C2CCN3CC2)cc1C#N ZINC000072163395 211079400 /nfs/dbraw/zinc/07/94/00/211079400.db2.gz MUMVDUVJJJTRAZ-YTFSRNRJSA-N 1 0 376.504 3.147 50 30 GGEARO CC1(C)Cc2c(C#N)c(OCC[NH+]3CCCCC3)nc(N3CCCC3)c2CO1 ZINC000071280876 211042212 /nfs/dbraw/zinc/04/22/12/211042212.db2.gz OUQBNDHVFMQWOM-UHFFFAOYSA-N 1 0 384.524 3.269 50 30 GGEARO N#Cc1cc2c(ccn(C[C@@H](c3ccccc3)[NH+]3CCCCCC3)c2=O)[nH]c1=O ZINC000067804343 211023165 /nfs/dbraw/zinc/02/31/65/211023165.db2.gz ZGJIRIRVJVWSQZ-NRFANRHFSA-N 1 0 388.471 3.179 50 30 GGEARO N#Cc1cc2c(ccn(CC[C@H]3CCCC[N@@H+]3Cc3ccccc3)c2=O)[nH]c1=O ZINC000067696102 211018020 /nfs/dbraw/zinc/01/80/20/211018020.db2.gz JWIKYADCDSGMMR-LJQANCHMSA-N 1 0 388.471 3.006 50 30 GGEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@@H]1c1ccncc1 ZINC000020134938 210318395 /nfs/dbraw/zinc/31/83/95/210318395.db2.gz AHXGKJNQWOHDIL-FQEVSTJZSA-N 1 0 393.487 3.310 50 30 GGEARO CCCCc1c(C)c(C#N)c2nc3ccccc3n2c1N1CC[NH+](CCO)CC1 ZINC000019808957 210298383 /nfs/dbraw/zinc/29/83/83/210298383.db2.gz ILXLALPAHUUZHB-UHFFFAOYSA-N 1 0 391.519 3.125 50 30 GGEARO C[NH+](C)CCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1ccccc1F ZINC000019883454 210305565 /nfs/dbraw/zinc/30/55/65/210305565.db2.gz CDPJYRALYNBIRJ-GOSISDBHSA-N 1 0 386.398 3.105 50 30 GGEARO C[NH+](C)CCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1ccccc1F ZINC000019883452 210305436 /nfs/dbraw/zinc/30/54/36/210305436.db2.gz CDPJYRALYNBIRJ-SFHVURJKSA-N 1 0 386.398 3.105 50 30 GGEARO N#Cc1ccc(N2CCC([NH2+]CCN3CC[C@@H](c4ccccc4)C3)CC2)nc1 ZINC000095525149 136181438 /nfs/dbraw/zinc/18/14/38/136181438.db2.gz DEYGTXHHUUQKBX-OAQYLSRUSA-N 1 0 375.520 3.001 50 30 GGEARO N#Cc1ccnc(N2CCC([NH+]3CCN(C/C=C/c4ccccc4)CC3)CC2)c1 ZINC000095530063 136181942 /nfs/dbraw/zinc/18/19/42/136181942.db2.gz GFRCALIMEUUKBM-QPJJXVBHSA-N 1 0 387.531 3.253 50 30 GGEARO C#Cc1ccc(C[NH+]2CCC(Oc3cccc(C(=O)NCCOC)c3)CC2)cc1 ZINC000012372917 518359270 /nfs/dbraw/zinc/35/92/70/518359270.db2.gz BEZAKORXOBOOPZ-UHFFFAOYSA-N 1 0 392.499 3.088 50 30 GGEARO C=CCC1(CC=C)CCCN1C(=O)C[C@@H]1C(=O)NCC[N@H+]1CC1CCCCC1 ZINC000012710718 518689518 /nfs/dbraw/zinc/68/95/18/518689518.db2.gz FCUIPRWLDUSFPC-HXUWFJFHSA-N 1 0 387.568 3.271 50 30 GGEARO C=CCn1ncc(CN2C[C@H]3CC[C@@H]2C[N@H+](Cc2ccc(OC)cc2)C3)c1C ZINC000095369957 519292030 /nfs/dbraw/zinc/29/20/30/519292030.db2.gz FIEJRHOQUZDWLY-RBBKRZOGSA-N 1 0 380.536 3.483 50 30 GGEARO CC(C)(O)C#Cc1ccc(C[N@H+]2CCC(=O)N(Cc3ccccc3F)CC2)cc1 ZINC000014980917 519330161 /nfs/dbraw/zinc/33/01/61/519330161.db2.gz KVOFWEOXFNCCLP-UHFFFAOYSA-N 1 0 394.490 3.183 50 30 GGEARO CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2ccco2)cc1 ZINC000102861101 520318167 /nfs/dbraw/zinc/31/81/67/520318167.db2.gz COWPWAPHSMUXSM-LFVOPCPISA-N 1 0 398.459 3.052 50 30 GGEARO CC[NH+](CC)CCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1ccncc1 ZINC000102874430 520600454 /nfs/dbraw/zinc/60/04/54/520600454.db2.gz DASMEHSQNFIYPA-NHFXJNLRSA-N 1 0 393.487 3.235 50 30 GGEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@@H]1c1cccnc1 ZINC000100508970 520648592 /nfs/dbraw/zinc/64/85/92/520648592.db2.gz NWPTWSDWUZAHNX-NHFXJNLRSA-N 1 0 393.487 3.154 50 30 GGEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@H]1c1ccncc1 ZINC000102928277 520648882 /nfs/dbraw/zinc/64/88/82/520648882.db2.gz YVVPYABKHXRLSG-YDJIHCHBSA-N 1 0 393.487 3.154 50 30 GGEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@@H]1c1ccco1 ZINC000102496564 520652406 /nfs/dbraw/zinc/65/24/06/520652406.db2.gz CRSAEGFTRIIUKS-WOOAAIBNSA-N 1 0 398.459 3.052 50 30 GGEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@@H]1c1ccccn1 ZINC000020227580 520656620 /nfs/dbraw/zinc/65/66/20/520656620.db2.gz HRJHIOKGUGUJCP-FQEVSTJZSA-N 1 0 393.487 3.310 50 30 GGEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1ccco1 ZINC000020135016 520656633 /nfs/dbraw/zinc/65/66/33/520656633.db2.gz WBLFNDLNYMODDK-GOSISDBHSA-N 1 0 386.423 3.339 50 30 GGEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2cccs2)[C@@H]1c1ccccn1 ZINC000020219283 520660984 /nfs/dbraw/zinc/66/09/84/520660984.db2.gz NLJORJXAWLJIAW-KRWDZBQOSA-N 1 0 385.489 3.063 50 30 GGEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1ccccn1 ZINC000020229940 520661180 /nfs/dbraw/zinc/66/11/80/520661180.db2.gz GQKYUWQLUGQTSE-LJQANCHMSA-N 1 0 379.460 3.002 50 30 GGEARO CCOc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2CC[NH+](C)C)cc1 ZINC000019788392 521238825 /nfs/dbraw/zinc/23/88/25/521238825.db2.gz OCPCHHQUODBPFP-HXUWFJFHSA-N 1 0 394.471 3.225 50 30 GGEARO CCOc1ccc([C@H]2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2CC[NH+](C)C)cc1 ZINC000020057862 521266476 /nfs/dbraw/zinc/26/64/76/521266476.db2.gz DYPJVBCHZQSNEJ-IBGZPJMESA-N 1 0 398.459 3.127 50 30 GGEARO CCOc1cccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@H]2c2ccc(C)o2)c1 ZINC000019973893 521317362 /nfs/dbraw/zinc/31/73/62/521317362.db2.gz MOYSMZMTXDXXQJ-IBGZPJMESA-N 1 0 398.459 3.127 50 30 GGEARO CCOc1cccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2ccco2)c1 ZINC000019973850 521317913 /nfs/dbraw/zinc/31/79/13/521317913.db2.gz UACBWNADNYWJEV-LJQANCHMSA-N 1 0 398.459 3.208 50 30 GGEARO CCOc1cccc([C@H]2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2CC[NH+](C)C)c1 ZINC000019999665 521423542 /nfs/dbraw/zinc/42/35/42/521423542.db2.gz VCAMLOKOLVCOOZ-IBGZPJMESA-N 1 0 398.459 3.127 50 30 GGEARO C[NH+](C)CCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1ccc(F)cc1 ZINC000019885191 521755415 /nfs/dbraw/zinc/75/54/15/521755415.db2.gz BVBMAZWJUQSPLY-SFHVURJKSA-N 1 0 386.398 3.105 50 30 GGEARO C[NH+](C)CCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1ccc(Cl)cc1 ZINC000019880442 521759599 /nfs/dbraw/zinc/75/95/99/521759599.db2.gz PCVYLFARFFMHOP-GOSISDBHSA-N 1 0 384.863 3.480 50 30 GGEARO COCc1cc(C)nc(SCC[N+](C)(C)CC(=O)c2ccccc2)c1C#N ZINC000038148205 522918977 /nfs/dbraw/zinc/91/89/77/522918977.db2.gz JGLMJAXOLHVGCA-UHFFFAOYSA-N 1 0 384.525 3.460 50 30 GGEARO Cn1c(CN2CCCCC2)nnc1[C@H]1CCC[N@H+](Cc2cccc(C#N)c2)C1 ZINC000426383795 534686997 /nfs/dbraw/zinc/68/69/97/534686997.db2.gz JPQZJWCRPFHFHL-FQEVSTJZSA-N 1 0 378.524 3.052 50 30 GGEARO COc1ccc(C(=[NH2+])NOC(=O)[C@H](C)Oc2ccc(Br)cc2)cc1 ZINC000005059675 523367437 /nfs/dbraw/zinc/36/74/37/523367437.db2.gz RPSQFHYDJMSLGI-NSHDSACASA-N 1 0 393.237 3.089 50 30 GGEARO CC[C@H](C)[N@H+](CC#Cc1ccccc1)Cc1ccc(CN(C)S(C)(=O)=O)o1 ZINC000055385957 523924617 /nfs/dbraw/zinc/92/46/17/523924617.db2.gz WYLNDJASESMJSS-SFHVURJKSA-N 1 0 388.533 3.323 50 30 GGEARO COC(=O)c1[nH]c2ccc(F)cc2c1NC(=O)CC[NH+]1CCC(C(N)=O)CC1 ZINC000082050122 524023818 /nfs/dbraw/zinc/02/38/18/524023818.db2.gz JWTZLEGBGYZZQY-UHFFFAOYSA-N 1 0 390.415 3.319 50 30 GGEARO C[NH+](C)CCCN1C(=O)C(O)=C(C(=O)c2ccco2)[C@@H]1c1ccc(Cl)cc1 ZINC000006787130 524053943 /nfs/dbraw/zinc/05/39/43/524053943.db2.gz UXPILYFMRSAUEL-HVESIFNPSA-N 1 0 388.851 3.306 50 30 GGEARO C[NH+](C)CCCN1C(=O)C(O)=C(C(=O)c2ccco2)[C@H]1c1ccc(Cl)cc1 ZINC000006787075 524053991 /nfs/dbraw/zinc/05/39/91/524053991.db2.gz UXPILYFMRSAUEL-GROYHEBESA-N 1 0 388.851 3.306 50 30 GGEARO C[NH+](C)CCCN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@@H]1c1ccco1 ZINC000004427660 524054019 /nfs/dbraw/zinc/05/40/19/524054019.db2.gz BZDFWUTYSXPHCN-WOOAAIBNSA-N 1 0 394.427 3.399 50 30 GGEARO C[NH+](C)CCCN1C(=O)C(O)=C(C(=O)c2cccs2)[C@H]1c1ccc(F)cc1 ZINC000006787100 524054261 /nfs/dbraw/zinc/05/42/61/524054261.db2.gz HENZZUHAHPAWRH-GROYHEBESA-N 1 0 388.464 3.261 50 30 GGEARO C[NH+](C)CCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1ccc(F)cc1 ZINC000019996921 524054771 /nfs/dbraw/zinc/05/47/71/524054771.db2.gz QVOQZFMRFSUICF-LJQANCHMSA-N 1 0 382.435 3.356 50 30 GGEARO C[NH+](C)CCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@H]1c1ccco1 ZINC000019927885 524055033 /nfs/dbraw/zinc/05/50/33/524055033.db2.gz LPHWJZHYJRGVJS-QGZVFWFLSA-N 1 0 388.851 3.463 50 30 GGEARO C[NH+](C)CCCN1C(=O)C(O)=C(C(=O)c2cccs2)[C@H]1c1ccccc1F ZINC000019582311 524055495 /nfs/dbraw/zinc/05/54/95/524055495.db2.gz COWMJEWMZQJMMP-QGZVFWFLSA-N 1 0 388.464 3.417 50 30 GGEARO COc1ccc(OC)c(NC(=O)C[n+]2cc(-c3ccc(C)cc3)n3c2CCC3)c1 ZINC000016956400 524852994 /nfs/dbraw/zinc/85/29/94/524852994.db2.gz SOKRJBHONAEFQH-UHFFFAOYSA-O 1 0 392.479 3.353 50 30 GGEARO c1ccc(Nc2nc(N=NC3C[NH+]4CCC3CC4)nc(N3CCCCC3)n2)cc1 ZINC000004371957 526482459 /nfs/dbraw/zinc/48/24/59/526482459.db2.gz ZAPISBYVBGLUBW-ITYLOYPMSA-N 1 0 392.511 3.099 50 30 GGEARO c1ccc(Nc2nc(N=NC3C[NH+]4CCC3CC4)nc(N3CCCCC3)n2)cc1 ZINC000095080037 526484017 /nfs/dbraw/zinc/48/40/17/526484017.db2.gz ZAPISBYVBGLUBW-NLRVBDNBSA-N 1 0 392.511 3.099 50 30 GGEARO O=C(Cn1c[n+](CC(=O)c2ccc(Cl)cc2Cl)cn1)c1ccccc1 ZINC000001775020 564186714 /nfs/dbraw/zinc/18/67/14/564186714.db2.gz OQDYAXFQESCNIR-UHFFFAOYSA-N 1 0 375.235 3.243 50 30 GGEARO C=C(C)CNC(=O)[C@@H]1CCC[N@@H+](C2CCN(c3nc4ccccc4o3)CC2)C1 ZINC000011879460 570234068 /nfs/dbraw/zinc/23/40/68/570234068.db2.gz GBFSMBWVGVPCJV-QGZVFWFLSA-N 1 0 382.508 3.201 50 30 GGEARO COc1cccc(C(=O)NC[C@H]2CCC[N@H+](CC#Cc3ccccc3)C2)c1OC ZINC000012466284 570237136 /nfs/dbraw/zinc/23/71/36/570237136.db2.gz ZYNMNFWMLBGONJ-HXUWFJFHSA-N 1 0 392.499 3.197 50 30 GGEARO C=CCn1nc(C(=O)N2CCCCC2)c2c1CC[C@@H]([N@H+](C)Cc1ccco1)C2 ZINC000014747490 570245606 /nfs/dbraw/zinc/24/56/06/570245606.db2.gz RFSWDCVMTICERY-QGZVFWFLSA-N 1 0 382.508 3.278 50 30 GGEARO C=CCOc1ccccc1CN1CCN(Cc2cccc(C)n2)[C@H](CCO)C1 ZINC000104316858 570256307 /nfs/dbraw/zinc/25/63/07/570256307.db2.gz NWCJYCVDTHHLCZ-JOCHJYFZSA-N 1 0 381.520 3.024 50 30 GGEARO C#Cc1ccc(CN2CC[N@@H+](Cc3ccc(OC)c(C)c3)[C@H](CCO)C2)cc1 ZINC000104386454 570257960 /nfs/dbraw/zinc/25/79/60/570257960.db2.gz KFLUZSATEYENBH-HSZRJFAPSA-N 1 0 378.516 3.054 50 30 GGEARO C[NH+](C)[C@H](CNC(=O)C(=O)Nc1ccccc1C#N)c1csc2ccccc21 ZINC000575622140 570370630 /nfs/dbraw/zinc/37/06/30/570370630.db2.gz WJBVPQUHHFKHHA-GOSISDBHSA-N 1 0 392.484 3.131 50 30 GGEARO CCOc1ccc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2CCC[NH+](C)C)cc1 ZINC000008744053 570539471 /nfs/dbraw/zinc/53/94/71/570539471.db2.gz XRCSMICDNNDHAK-LFVOPCPISA-N 1 0 398.459 3.052 50 30 GGEARO CC[NH+](CC)CCCN1C(=O)C(O)=C(C(=O)c2ccc(C)o2)[C@H]1c1ccncc1 ZINC000006785066 570592076 /nfs/dbraw/zinc/59/20/76/570592076.db2.gz RCHVVDJNTCRZPG-LFVOPCPISA-N 1 0 397.475 3.137 50 30 GGEARO C=C(Cl)Cn1c2cc(OC)c(OC)cc2cc(C[NH2+]Cc2cccnc2)c1=O ZINC000012165986 570619496 /nfs/dbraw/zinc/61/94/96/570619496.db2.gz SDLKNSHTLCCOIH-UHFFFAOYSA-N 1 0 399.878 3.456 50 30 GGEARO C[NH+](C)CCCN1C(=O)C(O)=C(C(=O)c2c[nH]c3ccccc23)[C@H]1c1ccco1 ZINC000013684009 570668083 /nfs/dbraw/zinc/66/80/83/570668083.db2.gz XFUKTWVPEWUKPM-LJQANCHMSA-N 1 0 393.443 3.291 50 30 GGEARO C[NH+](C)CCN1C(=O)C(O)=C(C(=O)c2c[nH]c3ccccc23)[C@@H]1c1cccs1 ZINC000013683768 570668706 /nfs/dbraw/zinc/66/87/06/570668706.db2.gz FWYWCWYYERUHLK-SFHVURJKSA-N 1 0 395.484 3.369 50 30 GGEARO C[NH+](C)CCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1ccccc1Cl ZINC000004427707 570756903 /nfs/dbraw/zinc/75/69/03/570756903.db2.gz KMVYOORRELZUEY-SELCWUDQSA-N 1 0 384.863 3.323 50 30 GGEARO CCN(CC)c1ccc(/C=[NH+]\N2CCN(c3ccccc3OC)CC2)c(O)c1 ZINC000016678435 570930800 /nfs/dbraw/zinc/93/08/00/570930800.db2.gz DXFUOAIOGSWNKN-QJOMJCCJSA-N 1 0 382.508 3.403 50 30 GGEARO COc1c2c(cc3c1[C@@H](CC(O)=CC(=O)C(F)(F)F)[N+](C)(C)CC3)OCO2 ZINC000001280064 570953081 /nfs/dbraw/zinc/95/30/81/570953081.db2.gz OTBPTRIZACIXAM-GFCCVEGCSA-O 1 0 388.362 3.061 50 30 biogenic GGEARO O=C(C[n+]1ccc(Cc2ccc([N+](=O)[O-])cc2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000004566420 570965274 /nfs/dbraw/zinc/96/52/74/570965274.db2.gz GBTRDPRSWWYCTO-UHFFFAOYSA-N 1 0 378.364 3.264 50 30 GGEARO C=CCn1ncc(C[NH+]2CCC3(CCC(=O)N(Cc4ccccn4)C3)CC2)c1C ZINC000091625308 570984733 /nfs/dbraw/zinc/98/47/33/570984733.db2.gz WVCXFTWLJTYUTI-UHFFFAOYSA-N 1 0 393.535 3.177 50 30 GGEARO C[C@]12CCC[C@]3(CO3)[C@@H]1C[C@H]1[C@@H](C2)OC(=O)[C@@H]1C[N@H+](CCO)Cc1ccccc1 ZINC000004028006 1398376634 /nfs/dbraw/zinc/37/66/34/1398376634.db2.gz VTCCECULTVEOLP-FWDUKEBRSA-N 1 0 399.531 3.008 50 30 biogenic GGEARO C[C@]12CCC[C@]3(CO3)[C@@H]1C[C@H]1[C@@H](C2)OC(=O)[C@@H]1C[NH2+]Cc1ccc2c(c1)OCO2 ZINC000004086371 1398379496 /nfs/dbraw/zinc/37/94/96/1398379496.db2.gz SUPCUEQUOHUVAQ-ZTIFZBJVSA-N 1 0 399.487 3.032 50 30 biogenic GGEARO Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2cccnc2)c1 ZINC000008467779 1398832651 /nfs/dbraw/zinc/83/26/51/1398832651.db2.gz UOGVFYJHXQTFCH-FQEVSTJZSA-N 1 0 393.487 3.228 50 30 GGEARO C=CCC(O)(CC=C)C[NH2+]C1CCN(c2nc(C)c3cc(OC)ccc3n2)CC1 ZINC000011840976 1399015125 /nfs/dbraw/zinc/01/51/25/1399015125.db2.gz KSWIQHJKDRERMC-UHFFFAOYSA-N 1 0 396.535 3.389 50 30 GGEARO COc1ccccc1C[NH2+]C[C@@H]1C(=O)O[C@@H]2C[C@@]3(C)CCC[C@H](C)[C@@]34O[C@H]4[C@H]12 ZINC000012659826 1399051850 /nfs/dbraw/zinc/05/18/50/1399051850.db2.gz FOEBWTIHOHDNTR-OYQWTXIVSA-N 1 0 385.504 3.310 50 30 biogenic GGEARO C[C@]12CCC[C@]3(CO3)[C@@H]1C[C@@H]1[C@H](C[NH2+]CCc3ccc(F)cc3)C(=O)O[C@@H]1C2 ZINC000012660020 1399052095 /nfs/dbraw/zinc/05/20/95/1399052095.db2.gz MMPZDIHKVXWPMI-WFTGQSOZSA-N 1 0 387.495 3.485 50 30 biogenic GGEARO C=CCn1nc(C(=O)N(C)C)c2c1CC[C@H]([NH2+]Cc1ccc(Cl)s1)C2 ZINC000014752915 1399118471 /nfs/dbraw/zinc/11/84/71/1399118471.db2.gz GXPVOJWKZMUSBA-LBPRGKRZSA-N 1 0 378.929 3.133 50 30 GGEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1cccnc1 ZINC000020191210 1399343524 /nfs/dbraw/zinc/34/35/24/1399343524.db2.gz OLDHXSYENNHXFL-LJQANCHMSA-N 1 0 397.450 3.141 50 30 GGEARO COc1c2c(cc3c1[C@@H](C#CCOc1ccc(F)cc1)[N+](C)(C)CC3)OCO2 ZINC000008764444 717106628 /nfs/dbraw/zinc/10/66/28/717106628.db2.gz OPABYATVNJSWTD-GOSISDBHSA-N 1 0 384.427 3.319 50 30 biogenic GGEARO COCC[N@@H+]1CCC[C@H](CNC(=O)c2ccc(-c3ccccc3C#N)cc2)C1 ZINC000426359570 231207231 /nfs/dbraw/zinc/20/72/31/231207231.db2.gz DPPHAGIOOMLBPW-GOSISDBHSA-N 1 0 377.488 3.313 50 30 GGEARO COc1ccc(C(=O)C[n+]2cc(Br)cc(Br)c2)cc1 ZINC000001595143 212251166 /nfs/dbraw/zinc/25/11/66/212251166.db2.gz HYXCAGONMVVSFR-UHFFFAOYSA-N 1 0 386.063 3.391 50 30 GGEARO CC(C)(O)C#Cc1ccc(CN2CC[N@@H+](C3CCCCC3)[C@@H](CCO)C2)s1 ZINC000022932745 212106362 /nfs/dbraw/zinc/10/63/62/212106362.db2.gz SYABXXCGMNWUKQ-IBGZPJMESA-N 1 0 390.593 3.072 50 30 GGEARO C=C(C)C[N@@H+](CC)[C@@H]1CCc2c(c(C(=O)NCCc3ccccc3)nn2C)C1 ZINC000014542921 212097646 /nfs/dbraw/zinc/09/76/46/212097646.db2.gz XMRLHSAKBJADKA-LJQANCHMSA-N 1 0 380.536 3.148 50 30 GGEARO Cc1ccccc1CN1CC[N@H+](Cc2ccc(C#CC(C)(C)O)cc2)CCC1=O ZINC000012213283 212096486 /nfs/dbraw/zinc/09/64/86/212096486.db2.gz NQZOLJROAPZKJX-UHFFFAOYSA-N 1 0 390.527 3.352 50 30 GGEARO CC[NH+]=C(NCCc1ccccc1)S[C@@H]1CC(=O)N(c2ccccc2)C1=O ZINC000005034718 220817534 /nfs/dbraw/zinc/81/75/34/220817534.db2.gz LXWJXYULYOIJGX-GOSISDBHSA-N 1 0 381.501 3.260 50 30 GGEARO COc1ccc(OCc2ccc(-c3nc(C#N)c(NCC[NH+](C)C)o3)o2)cc1 ZINC000012418956 221190916 /nfs/dbraw/zinc/19/09/16/221190916.db2.gz QTDGGOVTUIVUCW-UHFFFAOYSA-N 1 0 382.420 3.367 50 30 GGEARO COc1ccc(CC[NH2+]C[C@@H]2C(=O)O[C@@H]3C[C@@]4(C)CCC[C@]5(CO5)[C@@H]4C[C@H]23)cc1 ZINC000012660028 221217633 /nfs/dbraw/zinc/21/76/33/221217633.db2.gz SBUJQWNPHRABOX-KVOBWYIXSA-N 1 0 399.531 3.354 50 30 biogenic GGEARO COCC[N@@H+]1CCC[C@@H](CNC(=O)c2ccc(-c3ccccc3C#N)cc2)C1 ZINC000426359571 533343091 /nfs/dbraw/zinc/34/30/91/533343091.db2.gz DPPHAGIOOMLBPW-SFHVURJKSA-N 1 0 377.488 3.313 50 30 GGEARO CSCC[NH+]1CCC(NC(=O)c2cccc(-c3cccc(C#N)n3)c2)CC1 ZINC000426419728 533581028 /nfs/dbraw/zinc/58/10/28/533581028.db2.gz IWJRNFRGNCHJKP-UHFFFAOYSA-N 1 0 380.517 3.177 50 30 GGEARO COc1ccc(CC[N@H+](C)[C@@H]2CCCN(c3ncccc3C#N)C2)cc1OC ZINC000072158971 136167201 /nfs/dbraw/zinc/16/72/01/136167201.db2.gz RBERYVWQKOYDCX-LJQANCHMSA-N 1 0 380.492 3.114 50 30 GGEARO COc1ccc(CC[N@H+](C)[C@H]2CCCN(c3ncccc3C#N)C2)cc1OC ZINC000072158972 136167328 /nfs/dbraw/zinc/16/73/28/136167328.db2.gz RBERYVWQKOYDCX-IBGZPJMESA-N 1 0 380.492 3.114 50 30 GGEARO N#Cc1ccccc1-c1c(-c2ccccc2)ncn1CC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000065464257 222132156 /nfs/dbraw/zinc/13/21/56/222132156.db2.gz RFTHRTPXYBOOLT-FQEVSTJZSA-N 1 0 399.498 3.286 50 30 GGEARO N#Cc1cccc(C(=O)N2C[C@@H](c3ccc(F)cc3)[C@@H]3[C@H]2C2CC[NH+]3CC2)c1 ZINC000072129575 222208090 /nfs/dbraw/zinc/20/80/90/222208090.db2.gz OLIYVEFUNOJEHA-BHDDXSALSA-N 1 0 375.447 3.400 50 30 GGEARO COc1ccccc1[C@H]1CN(C(=O)c2ccccc2C#N)[C@H]2[C@@H]1[NH+]1CCC2CC1 ZINC000072167424 222214022 /nfs/dbraw/zinc/21/40/22/222214022.db2.gz HSAOOYGBSLAFEV-YMPZKCBVSA-N 1 0 387.483 3.269 50 30 GGEARO N#Cc1ccccc1C(=O)N1C[C@@H](c2ccc(F)cc2)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000072173681 222216615 /nfs/dbraw/zinc/21/66/15/222216615.db2.gz FCHKUMSHZGYYFH-BHDDXSALSA-N 1 0 375.447 3.400 50 30 GGEARO N#Cc1ccc(COCC2CC[NH+](CC(=O)NCc3ccc(F)cc3)CC2)cc1 ZINC000077191671 222275754 /nfs/dbraw/zinc/27/57/54/222275754.db2.gz JTKOWFAVLHLJLB-UHFFFAOYSA-N 1 0 395.478 3.242 50 30 GGEARO C=C(Cl)Cn1c2cc(F)ccc2cc(C[NH2+]CCn2nc(C)cc2C)c1=O ZINC000014996281 518653491 /nfs/dbraw/zinc/65/34/91/518653491.db2.gz LEIHBWMMCYZBCX-UHFFFAOYSA-N 1 0 388.874 3.496 50 30 GGEARO C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](C[NH+]4CCC5(CC4)OCCO5)[C@H]3C[C@H]12 ZINC000012661490 518661094 /nfs/dbraw/zinc/66/10/94/518661094.db2.gz PAXXEMKFBLFNJK-TWHPPBISSA-N 1 0 375.509 3.140 50 30 biogenic GGEARO C=CCn1cc(C[N@@H+]2CCC[C@@]3(CCN(C(=O)c4cccc(C#N)c4)C3)C2)cn1 ZINC000067771343 519278076 /nfs/dbraw/zinc/27/80/76/519278076.db2.gz AUPNDUGLSPAWJH-HSZRJFAPSA-N 1 0 389.503 3.069 50 30 GGEARO CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@H]2c2ccco2)cc1 ZINC000102861100 520318472 /nfs/dbraw/zinc/31/84/72/520318472.db2.gz COWPWAPHSMUXSM-WOOAAIBNSA-N 1 0 398.459 3.052 50 30 GGEARO CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2ccco2)cc1 ZINC000017162199 520327283 /nfs/dbraw/zinc/32/72/83/520327283.db2.gz RGOFOYJMNCQNBE-LJQANCHMSA-N 1 0 398.459 3.208 50 30 GGEARO CC[NH+](CC)CCCN1C(=O)C(O)=C(C(=O)c2ccc(C)o2)[C@H]1c1cccnc1 ZINC000102541800 520598232 /nfs/dbraw/zinc/59/82/32/520598232.db2.gz NUWYLSBQIAJSIE-LFVOPCPISA-N 1 0 397.475 3.137 50 30 GGEARO CC[NH+](CC)CCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1cccnc1 ZINC000102876335 520601462 /nfs/dbraw/zinc/60/14/62/520601462.db2.gz FNMAYXXNSVPMMM-YDJIHCHBSA-N 1 0 393.487 3.235 50 30 GGEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1ccco1 ZINC000005564225 520651499 /nfs/dbraw/zinc/65/14/99/520651499.db2.gz MZRMPLCVGLVBQI-GHNGSUTGSA-N 1 0 386.423 3.182 50 30 GGEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@@H]1c1cccnc1 ZINC000013127730 520657753 /nfs/dbraw/zinc/65/77/53/520657753.db2.gz RTEVBHWQNNDLIP-FQEVSTJZSA-N 1 0 393.487 3.310 50 30 GGEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2cccs2)[C@@H]1c1ccncc1 ZINC000020135214 520659506 /nfs/dbraw/zinc/65/95/06/520659506.db2.gz JMRBXDAQDBFHOH-KRWDZBQOSA-N 1 0 385.489 3.063 50 30 GGEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2cccc(OC)c2)[C@@H]1c1ccco1 ZINC000019973952 520660281 /nfs/dbraw/zinc/66/02/81/520660281.db2.gz MXKHKAXOPSTYFH-IBGZPJMESA-N 1 0 398.459 3.208 50 30 GGEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccncc2)[C@@H]1c1ccccc1F ZINC000020502278 520660682 /nfs/dbraw/zinc/66/06/82/520660682.db2.gz RYRNGADAHPIEFS-IBGZPJMESA-N 1 0 397.450 3.141 50 30 GGEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccncc2)[C@@H]1c1cccc(F)c1 ZINC000019882193 520661088 /nfs/dbraw/zinc/66/10/88/520661088.db2.gz WUZHLKGIWSJUPI-IBGZPJMESA-N 1 0 397.450 3.141 50 30 GGEARO CCOC(=O)[C@@]1(CCOC)CCC[N@H+](Cc2ccc(C#CC(C)(C)O)s2)C1 ZINC000055119750 521179059 /nfs/dbraw/zinc/17/90/59/521179059.db2.gz ODPVDKRHPHYGOC-OAQYLSRUSA-N 1 0 393.549 3.052 50 30 GGEARO CCOc1cccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2ccc(C)o2)c1 ZINC000019973891 521317416 /nfs/dbraw/zinc/31/74/16/521317416.db2.gz MOYSMZMTXDXXQJ-LJQANCHMSA-N 1 0 398.459 3.127 50 30 GGEARO CCOc1cccc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2CCC[NH+](C)C)c1 ZINC000019999635 521417183 /nfs/dbraw/zinc/41/71/83/521417183.db2.gz SJOJGVKPZKVKDC-LJQANCHMSA-N 1 0 398.459 3.208 50 30 GGEARO C[NH+](C)CCN1C(=O)C(O)=C(C(=O)c2c[nH]c3ccccc23)[C@H]1c1ccccc1 ZINC000013723439 521754984 /nfs/dbraw/zinc/75/49/84/521754984.db2.gz OZOKXRILODZWOP-HXUWFJFHSA-N 1 0 389.455 3.308 50 30 GGEARO C[N@H+](CCc1ccccc1)C1(C(=O)N2CCC[C@@H](C#N)C2)Cc2ccccc2C1 ZINC000072128890 522954066 /nfs/dbraw/zinc/95/40/66/522954066.db2.gz OWRAAFRBRSPBJQ-NRFANRHFSA-N 1 0 387.527 3.461 50 30 GGEARO COc1ccc(C(=[NH2+])NOC(=O)COc2ccc(C)cc2Br)cc1 ZINC000005093002 523365817 /nfs/dbraw/zinc/36/58/17/523365817.db2.gz GBDAFUHOEFHESE-UHFFFAOYSA-N 1 0 393.237 3.009 50 30 GGEARO CN(C(=O)C1=CC(=O)CC(C)(C)O1)[C@@H]1CCC[N@H+](CCCc2ccccc2)C1 ZINC000011813631 523786429 /nfs/dbraw/zinc/78/64/29/523786429.db2.gz NGWSENHLRUQABW-LJQANCHMSA-N 1 0 384.520 3.194 50 30 GGEARO C[NH+](C)CCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@H]1c1cccnc1 ZINC000019882942 524054819 /nfs/dbraw/zinc/05/48/19/524054819.db2.gz GLWMXESOXCOTNY-GOSISDBHSA-N 1 0 399.878 3.265 50 30 GGEARO C[NH+](C)CCCN1C(=O)C(O)=C(C(=O)c2ccncc2)[C@@H]1c1ccc(Cl)cc1 ZINC000102873824 524054930 /nfs/dbraw/zinc/05/49/30/524054930.db2.gz GOBFVPMAXGXTLT-GHNGSUTGSA-N 1 0 399.878 3.108 50 30 GGEARO C[NH+](C)CCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1ccccc1 ZINC000019938289 524055213 /nfs/dbraw/zinc/05/52/13/524055213.db2.gz ONEVVSGOWOHBFH-IBGZPJMESA-N 1 0 382.435 3.356 50 30 GGEARO C[NH+](C)CCCN1C(=O)C(O)=C(C(=O)c2ccncc2)[C@@H]1c1cccc(Cl)c1 ZINC000020441299 524055651 /nfs/dbraw/zinc/05/56/51/524055651.db2.gz UMMGRQBLSCZITP-SFHVURJKSA-N 1 0 399.878 3.265 50 30 GGEARO COc1cccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2CCC[NH+](C)C)c1 ZINC000005576832 524168677 /nfs/dbraw/zinc/16/86/77/524168677.db2.gz NXYVRHWTYLNGSZ-NHFXJNLRSA-N 1 0 394.471 3.069 50 30 GGEARO COc1ccc(NC(=O)C[n+]2cc(-c3ccc(C)cc3)n3c2CCC3)c(OC)c1 ZINC000013777238 524522816 /nfs/dbraw/zinc/52/28/16/524522816.db2.gz YPMPISVGPJURJS-UHFFFAOYSA-O 1 0 392.479 3.353 50 30 GGEARO COc1ccc(OC)c(NC(=O)C[n+]2cc(-c3ccc(F)cc3)n3c2CCC3)c1 ZINC000017209024 524853360 /nfs/dbraw/zinc/85/33/60/524853360.db2.gz XLYUYBSYKQBXFT-UHFFFAOYSA-O 1 0 396.442 3.184 50 30 GGEARO COc1cccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2ccc(C)o2)c1 ZINC000019973842 525781405 /nfs/dbraw/zinc/78/14/05/525781405.db2.gz QQAMYJKVTJVHCI-LJQANCHMSA-N 1 0 398.459 3.127 50 30 GGEARO Cc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2CCC[NH+](C)C)o1 ZINC000017179596 525790450 /nfs/dbraw/zinc/79/04/50/525790450.db2.gz LQRRPCFJCRGRCN-LJQANCHMSA-N 1 0 382.460 3.426 50 30 GGEARO Cc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2cccs2)cc1 ZINC000102517235 525941548 /nfs/dbraw/zinc/94/15/48/525941548.db2.gz ULCWNRJKMCGLNC-SELCWUDQSA-N 1 0 384.501 3.430 50 30 GGEARO Cc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2cccs2)cc1 ZINC000102517225 525945484 /nfs/dbraw/zinc/94/54/84/525945484.db2.gz ULCWNRJKMCGLNC-GHNGSUTGSA-N 1 0 384.501 3.430 50 30 GGEARO Cc1ccc([C@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2CC[NH+](C)C)o1 ZINC000102879728 525980753 /nfs/dbraw/zinc/98/07/53/525980753.db2.gz PXQJXRKZTZTFAG-WOOAAIBNSA-N 1 0 394.427 3.318 50 30 GGEARO Cc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2CCC[NH+](C)C)o1 ZINC000017179594 525985777 /nfs/dbraw/zinc/98/57/77/525985777.db2.gz LQRRPCFJCRGRCN-IBGZPJMESA-N 1 0 382.460 3.426 50 30 GGEARO Cc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@H]2c2ccc(C)cc2)cc1 ZINC000019898794 526021722 /nfs/dbraw/zinc/02/17/22/526021722.db2.gz KCMRMBCOWCPPNG-FQEVSTJZSA-N 1 0 378.472 3.443 50 30 GGEARO Cc1csc(C2=C(N)N(CCC3CC[NH+](Cc4ccccc4)CC3)CC2=O)n1 ZINC000013736658 526327696 /nfs/dbraw/zinc/32/76/96/526327696.db2.gz OHMSMXCJTDXTDS-UHFFFAOYSA-N 1 0 396.560 3.266 50 30 GGEARO Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2ccc(C)cc2)s1 ZINC000020501909 526687956 /nfs/dbraw/zinc/68/79/56/526687956.db2.gz TTWRMOZBZSSJMO-QGZVFWFLSA-N 1 0 399.516 3.208 50 30 GGEARO NC(=[NH2+])NN=Cc1cc(Br)ccc1OCc1ccc(Cl)cc1 ZINC000034798590 526817409 /nfs/dbraw/zinc/81/74/09/526817409.db2.gz GIUBSOFBEXFZNZ-ZBKNUEDVSA-N 1 0 381.661 3.498 50 30 GGEARO OCC#Cc1csc(C[NH2+][C@H]2CCCN(c3nc4ccccc4s3)C2)c1 ZINC000055100232 527520986 /nfs/dbraw/zinc/52/09/86/527520986.db2.gz UGSLMXUYCCSZSH-INIZCTEOSA-N 1 0 383.542 3.460 50 30 GGEARO Cc1ccc(CC(=[NH2+])NOC(=O)c2ccc(I)cc2)cc1 ZINC000004977880 564210581 /nfs/dbraw/zinc/21/05/81/564210581.db2.gz GMDHRULJMNDQSJ-UHFFFAOYSA-N 1 0 394.212 3.271 50 30 GGEARO O=C(Nc1nnc(CC[NH+]2CCCCC2)s1)c1cncc(Br)c1 ZINC000049984523 564555048 /nfs/dbraw/zinc/55/50/48/564555048.db2.gz BRHHCLGSNROQCF-UHFFFAOYSA-N 1 0 396.314 3.360 50 30 GGEARO C=CCCC(=O)N(Cc1ccncc1)CC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000011938191 570234591 /nfs/dbraw/zinc/23/45/91/570234591.db2.gz CZWBLWGOWISYRU-UHFFFAOYSA-N 1 0 384.568 3.183 50 30 GGEARO CC[NH+](CC)CCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1ccncc1 ZINC000020134950 570241737 /nfs/dbraw/zinc/24/17/37/570241737.db2.gz MFMDDNKKCIZTDD-HXUWFJFHSA-N 1 0 393.487 3.392 50 30 GGEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@H]1c1ccncc1 ZINC000020134942 570242156 /nfs/dbraw/zinc/24/21/56/570242156.db2.gz AHXGKJNQWOHDIL-HXUWFJFHSA-N 1 0 393.487 3.310 50 30 GGEARO C=CCSc1nnc([C@@H]2CCC[N@@H+](Cc3ccc(OC)c(OC)c3)C2)n1C ZINC000015067240 570246134 /nfs/dbraw/zinc/24/61/34/570246134.db2.gz GGACVFLUZLXNQD-MRXNPFEDSA-N 1 0 388.537 3.490 50 30 GGEARO C=CCn1nc(C(=O)N2CCCCC2)c2c1CC[C@H]([NH2+]Cc1ccc(F)cc1)C2 ZINC000014749154 570246207 /nfs/dbraw/zinc/24/62/07/570246207.db2.gz QAOJSNJAKOKICA-IBGZPJMESA-N 1 0 396.510 3.481 50 30 GGEARO COc1ccc(Cc2c3cc(OC)c(OC)cc3cc[n+]2CC(C)=O)cc1OC ZINC000002810103 570303764 /nfs/dbraw/zinc/30/37/64/570303764.db2.gz WVHHTWAKXHTDGP-UHFFFAOYSA-N 1 0 396.463 3.342 50 30 GGEARO O=C(c1cccs1)C1=C(O)C(=O)N(CCCn2ccnc2)[C@H]1c1ccccc1 ZINC000104191761 570417214 /nfs/dbraw/zinc/41/72/14/570417214.db2.gz XXIPXEZOCUMRRO-GHNGSUTGSA-N 1 0 393.468 3.457 50 30 GGEARO C=CCC(=O)N1CCC[C@@H]([NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)C1 ZINC000011821029 570436316 /nfs/dbraw/zinc/43/63/16/570436316.db2.gz JSECRTZWKVZQCN-GOSISDBHSA-N 1 0 381.442 3.395 50 30 GGEARO C[NH+](C)CCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@H]1c1ccccn1 ZINC000005408676 570585949 /nfs/dbraw/zinc/58/59/49/570585949.db2.gz KMNCXZHRKDSUQS-SELCWUDQSA-N 1 0 399.878 3.108 50 30 GGEARO C[NH+](C)CCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1ccccc1 ZINC000005408688 570586001 /nfs/dbraw/zinc/58/60/01/570586001.db2.gz CDSUBEHMDYQEET-WOOAAIBNSA-N 1 0 382.435 3.199 50 30 GGEARO C[NH+](C)CCN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@H]1c1ccco1 ZINC000006812686 570617051 /nfs/dbraw/zinc/61/70/51/570617051.db2.gz BMTKPBFOSAFNPH-SELCWUDQSA-N 1 0 380.400 3.009 50 30 GGEARO C[NH+](C)CCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1cccs1 ZINC000005576901 570659510 /nfs/dbraw/zinc/65/95/10/570659510.db2.gz CTBVLUUKYPPXKB-UYTDBDHRSA-N 1 0 390.892 3.385 50 30 GGEARO C#C[C@@](C)(CC)OC[C@H](O)C[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000012421440 570672655 /nfs/dbraw/zinc/67/26/55/570672655.db2.gz JQDDMPJAZVZFEI-MOPGFXCFSA-N 1 0 384.442 3.007 50 30 GGEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@H]1c1ccco1 ZINC000005799438 570693029 /nfs/dbraw/zinc/69/30/29/570693029.db2.gz BTVUGMWHUMILQE-LFVOPCPISA-N 1 0 382.460 3.352 50 30 GGEARO CC1(C)CC(N=C2C3=NC4(CCCCC4)NC3=CC=C2[N+](=O)[O-])CC(C)(C)[NH2+]1 ZINC000101192242 570816717 /nfs/dbraw/zinc/81/67/17/570816717.db2.gz PPJOJKOMJBFFSC-PYCFMQQDSA-N 1 0 385.512 3.499 50 30 GGEARO CC[NH+](CC)CCCN1C(=O)C(O)=C(C(=O)c2ccc(C)o2)[C@@H]1c1ccccn1 ZINC000102730233 570859060 /nfs/dbraw/zinc/85/90/60/570859060.db2.gz NMTJQBILLRRDND-WOOAAIBNSA-N 1 0 397.475 3.137 50 30 GGEARO CC[NH+](CC)CCCN1C(=O)C(O)=C(C(=O)c2ccc(C)o2)[C@H]1c1ccccn1 ZINC000102730231 570859099 /nfs/dbraw/zinc/85/90/99/570859099.db2.gz NMTJQBILLRRDND-LFVOPCPISA-N 1 0 397.475 3.137 50 30 GGEARO Cc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2CC[NH+](C)C)cc1 ZINC000019209019 570959931 /nfs/dbraw/zinc/95/99/31/570959931.db2.gz DBAFNMCTUPUJFB-LJQANCHMSA-N 1 0 382.435 3.274 50 30 GGEARO C[N@H+](CCc1ccccn1)C[C@H]1C(=O)O[C@@H]2C[C@@]3(C)CCC[C@]4(CO4)[C@@H]3C[C@@H]21 ZINC000003999795 1398375955 /nfs/dbraw/zinc/37/59/55/1398375955.db2.gz JMHALWDHIFYNGT-XPRTXTSQSA-N 1 0 384.520 3.083 50 30 biogenic GGEARO C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](C[NH2+]CCc4ccc(F)cc4)[C@H]3[C@H]3O[C@@]312 ZINC000004086304 1398379114 /nfs/dbraw/zinc/37/91/14/1398379114.db2.gz DPJQDKPYAYDAMH-SKBCMGGYSA-N 1 0 387.495 3.483 50 30 biogenic GGEARO Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2cccnc2)c1 ZINC000008467815 1398832646 /nfs/dbraw/zinc/83/26/46/1398832646.db2.gz UOGVFYJHXQTFCH-HXUWFJFHSA-N 1 0 393.487 3.228 50 30 GGEARO Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2ccncc2)c1 ZINC000008467830 1398832705 /nfs/dbraw/zinc/83/27/05/1398832705.db2.gz FFETUQHMZYAMJO-HXUWFJFHSA-N 1 0 393.487 3.228 50 30 GGEARO CC[N@@H+]1CCc2nc(SCC(=O)Nc3ccc(OC)cc3)c(C#N)cc2C1 ZINC000020000533 1399339905 /nfs/dbraw/zinc/33/99/05/1399339905.db2.gz JZORSUIGNQUEEN-UHFFFAOYSA-N 1 0 382.489 3.071 50 30 aggregator GGEARO COc1cccc(/C(C[C@@H]2c3c(cc4c(c3OC)OCO4)CC[N@H+]2C)=N\O)c1 ZINC000020111742 1399342602 /nfs/dbraw/zinc/34/26/02/1399342602.db2.gz JRQDNYRAOVPLFL-VULIGXMUSA-N 1 0 384.432 3.230 50 30 GGEARO N#Cc1ccccc1C[NH+]1CCC2(CCC(=O)N(CCc3ccccn3)C2)CC1 ZINC000091644625 1410075018 /nfs/dbraw/zinc/07/50/18/1410075018.db2.gz PIHKVBDZRWBRCD-UHFFFAOYSA-N 1 0 388.515 3.401 50 30 GGEARO N#Cc1ccc(C[N@@H+]2C[C@@H](c3ccc4c(c3)OCO4)[C@@H]3[C@H]2C2CCN3CC2)cc1 ZINC000095386355 1410310154 /nfs/dbraw/zinc/31/01/54/1410310154.db2.gz PACMXHPMUAMKKH-TUACAJSNSA-N 1 0 387.483 3.349 50 30 GGEARO COc1ccc(NC(=O)NCC2([NH+]3CCOCC3)CCCCCC2)cc1C#N ZINC000095523579 1410315081 /nfs/dbraw/zinc/31/50/81/1410315081.db2.gz NFVURQOQODAEEK-UHFFFAOYSA-N 1 0 386.496 3.114 50 30 GGEARO Cn1c(CN2CCCCC2)nnc1C1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000096130680 1410325346 /nfs/dbraw/zinc/32/53/46/1410325346.db2.gz OFGHSWJIXZRLRR-UHFFFAOYSA-N 1 0 378.524 3.052 50 30 GGEARO COc1ccccc1C[NH2+]C[C@@H]1C(=O)O[C@@H]2C[C@@]3(C)CCC[C@]4(CO4)[C@@H]3C[C@H]12 ZINC000230023420 1433372453 /nfs/dbraw/zinc/37/24/53/1433372453.db2.gz AQSSCMNLIVYIHH-BWMPLVCVSA-N 1 0 385.504 3.312 50 30 biogenic GGEARO C[C@]12CCC[C@]3(CO3)[C@H]1C[C@@H]1[C@H](C[N@H+](CCO)Cc3ccccc3)C(=O)O[C@@H]1C2 ZINC000252695156 1433864440 /nfs/dbraw/zinc/86/44/40/1433864440.db2.gz VTCCECULTVEOLP-SJHWQXQCSA-N 1 0 399.531 3.008 50 30 biogenic GGEARO C[NH+](C)CCCN1C(=O)C(O)=C(C(=O)c2c[nH]c3ccccc23)[C@@H]1c1ccco1 ZINC000013684005 230886151 /nfs/dbraw/zinc/88/61/51/230886151.db2.gz XFUKTWVPEWUKPM-IBGZPJMESA-N 1 0 393.443 3.291 50 30 GGEARO C[NH+](C)CCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@H]1c1cccs1 ZINC000005576852 204141306 /nfs/dbraw/zinc/14/13/06/204141306.db2.gz CTBVLUUKYPPXKB-IBOXJLQUSA-N 1 0 390.892 3.385 50 30 GGEARO O=S(=O)(NN=C1CC[NH+](Cc2ccccc2)CC1)c1ccc(Cl)cc1 ZINC000005682969 204145285 /nfs/dbraw/zinc/14/52/85/204145285.db2.gz KFXHQBCEWWWHCZ-UHFFFAOYSA-N 1 0 377.897 3.270 50 30 GGEARO N#Cc1ccc(COCC2CC[NH+](CC(=O)NCCc3ccccc3)CC2)cc1 ZINC000077191674 205356943 /nfs/dbraw/zinc/35/69/43/205356943.db2.gz SMRXFOYPVARYTE-UHFFFAOYSA-N 1 0 391.515 3.146 50 30 GGEARO N#Cc1ccc(C(=O)NCc2cc3n(n2)CCC[N@@H+](C2CCCCC2)C3)cc1 ZINC000082155667 205389976 /nfs/dbraw/zinc/38/99/76/205389976.db2.gz WXDQACRYOCEOHU-UHFFFAOYSA-N 1 0 377.492 3.223 50 30 GGEARO COc1ccccc1C[NH2+]C[C@@H]1C(=O)O[C@@H]2C[C@@]3(C)CCC[C@@]4(CO4)[C@H]3C[C@H]12 ZINC000012885975 205880595 /nfs/dbraw/zinc/88/05/95/205880595.db2.gz AQSSCMNLIVYIHH-NONFQHQLSA-N 1 0 385.504 3.312 50 30 biogenic GGEARO COc1ccc(CC[NH2+]C[C@@H]2C(=O)O[C@@H]3C[C@@]4(C)CCC[C@H](C)[C@@]45O[C@H]5[C@H]23)cc1 ZINC000012886065 205880978 /nfs/dbraw/zinc/88/09/78/205880978.db2.gz RWBIPIUHWVWIJW-QVWGPJDHSA-N 1 0 399.531 3.353 50 30 biogenic GGEARO CC(C)(O)C#Cc1ccc(C[N@@H+]2CCC[C@@H](CCC(=O)N3CCCC3)C2)cc1 ZINC000012203462 221168059 /nfs/dbraw/zinc/16/80/59/221168059.db2.gz YJQBNBWWFDCJED-NRFANRHFSA-N 1 0 382.548 3.424 50 30 GGEARO C=C(C)CN1C(=O)N[C@@](CC)(C2CC[NH+](Cc3ccc(OC)cc3)CC2)C1=O ZINC000014881144 518601279 /nfs/dbraw/zinc/60/12/79/518601279.db2.gz YGBYNVWIYPQBAT-QFIPXVFZSA-N 1 0 385.508 3.184 50 30 GGEARO C=C(C)CN1C(=O)N[C@](CC)(C2CC[NH+](Cc3ccc(OC)cc3)CC2)C1=O ZINC000014881145 518603678 /nfs/dbraw/zinc/60/36/78/518603678.db2.gz YGBYNVWIYPQBAT-JOCHJYFZSA-N 1 0 385.508 3.184 50 30 GGEARO C=CCOc1ccc(C[NH+]2CCC(O)(Cn3ccnc3)CC2)c(OCC=C)c1 ZINC000055413470 519033979 /nfs/dbraw/zinc/03/39/79/519033979.db2.gz WJBXVCZOEWBWAV-UHFFFAOYSA-N 1 0 383.492 3.040 50 30 GGEARO C=CCSc1nnc([C@@H]2CCC[N@@H+](Cc3cccc(OC)c3OC)C2)n1C ZINC000014954438 519090374 /nfs/dbraw/zinc/09/03/74/519090374.db2.gz JDLMQALNAFVHPR-MRXNPFEDSA-N 1 0 388.537 3.490 50 30 GGEARO C=CCn1cc(C[N@@H+]2CCC[C@]3(CCN(C(=O)c4cccc(C#N)c4)C3)C2)cn1 ZINC000067771340 519278476 /nfs/dbraw/zinc/27/84/76/519278476.db2.gz AUPNDUGLSPAWJH-QHCPKHFHSA-N 1 0 389.503 3.069 50 30 GGEARO CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@H]2c2ccco2)cc1 ZINC000102856987 519778197 /nfs/dbraw/zinc/77/81/97/519778197.db2.gz YWAQCHLBXSDNLH-WOOAAIBNSA-N 1 0 398.459 3.050 50 30 GGEARO CCCOc1ccc(N2C(=O)C[C@@H](SC(=[NH2+])Nc3ccccc3)C2=O)cc1 ZINC000100477818 520386960 /nfs/dbraw/zinc/38/69/60/520386960.db2.gz MRPQLQWTULVLKL-QGZVFWFLSA-N 1 0 383.473 3.487 50 30 GGEARO CC[NH+](CC)CCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1ccncc1 ZINC000102874427 520600937 /nfs/dbraw/zinc/60/09/37/520600937.db2.gz DASMEHSQNFIYPA-YDJIHCHBSA-N 1 0 393.487 3.235 50 30 GGEARO CC[NH+](CC)CCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1cccnc1 ZINC000102876337 520601001 /nfs/dbraw/zinc/60/10/01/520601001.db2.gz FNMAYXXNSVPMMM-NHFXJNLRSA-N 1 0 393.487 3.235 50 30 GGEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2cccs2)[C@H]1c1ccc(C)o1 ZINC000006785178 520653673 /nfs/dbraw/zinc/65/36/73/520653673.db2.gz BXQZIRRYQGJCIS-GROYHEBESA-N 1 0 388.489 3.413 50 30 GGEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1ccco1 ZINC000020135012 520658454 /nfs/dbraw/zinc/65/84/54/520658454.db2.gz WBLFNDLNYMODDK-SFHVURJKSA-N 1 0 386.423 3.339 50 30 GGEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccncc2)[C@H]1c1ccccc1F ZINC000020502280 520658920 /nfs/dbraw/zinc/65/89/20/520658920.db2.gz RYRNGADAHPIEFS-LJQANCHMSA-N 1 0 397.450 3.141 50 30 GGEARO CCOC(=O)c1ccc(NC(=O)C[n+]2cc(-c3ccccc3)n3c2CCC3)cc1 ZINC000013787240 521501037 /nfs/dbraw/zinc/50/10/37/521501037.db2.gz PYKFWZPWCALTJL-UHFFFAOYSA-O 1 0 390.463 3.204 50 30 GGEARO C[NH+](C)CCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1ccc(Cl)cc1 ZINC000019880440 521754680 /nfs/dbraw/zinc/75/46/80/521754680.db2.gz PCVYLFARFFMHOP-SFHVURJKSA-N 1 0 384.863 3.480 50 30 GGEARO CN(CCC#N)c1ccc(C[NH2+]C[C@@H](c2cccs2)N2CCOCC2)cc1 ZINC000022240014 522673570 /nfs/dbraw/zinc/67/35/70/522673570.db2.gz ZHCLAHRQULKUMN-FQEVSTJZSA-N 1 0 384.549 3.261 50 30 GGEARO CN(CCC#N)c1ccc(C[NH2+]C[C@H](c2cccs2)N2CCOCC2)cc1 ZINC000022240013 522675299 /nfs/dbraw/zinc/67/52/99/522675299.db2.gz ZHCLAHRQULKUMN-HXUWFJFHSA-N 1 0 384.549 3.261 50 30 GGEARO COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2ccccc2)cc1 ZINC000019885561 523552864 /nfs/dbraw/zinc/55/28/64/523552864.db2.gz UNBIBILYAGAVAZ-FQEVSTJZSA-N 1 0 394.471 3.225 50 30 GGEARO COc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@H]2c2ccc(C)cc2)cc1 ZINC000019902900 523557388 /nfs/dbraw/zinc/55/73/88/523557388.db2.gz UDDHIRXDGVSFGZ-FQEVSTJZSA-N 1 0 394.471 3.144 50 30 GGEARO C[NH+](C)CCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1ccncc1 ZINC000102877023 524053908 /nfs/dbraw/zinc/05/39/08/524053908.db2.gz JPMZOBZZCOAZET-GHNGSUTGSA-N 1 0 399.878 3.108 50 30 GGEARO C[NH+](C)CCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1cccs1 ZINC000005576780 524054283 /nfs/dbraw/zinc/05/42/83/524054283.db2.gz OIEZGYRDHOAANU-GROYHEBESA-N 1 0 388.464 3.261 50 30 GGEARO C[NH+](C)CCCN1C(=O)C(O)=C(C(=O)c2ccncc2)[C@@H]1c1ccc(Cl)cc1 ZINC000020219576 524055501 /nfs/dbraw/zinc/05/55/01/524055501.db2.gz ZBOHODIDHBJJEX-SFHVURJKSA-N 1 0 399.878 3.265 50 30 GGEARO C[NH+](C)CCCN1C(=O)C(O)=C(C(=O)c2cccs2)[C@@H]1c1cccs1 ZINC000019582320 524055844 /nfs/dbraw/zinc/05/58/44/524055844.db2.gz UPMXZKWLZAWDRK-HNNXBMFYSA-N 1 0 376.503 3.340 50 30 GGEARO COc1cccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2CCC[NH+](C)C)c1 ZINC000019809168 524111605 /nfs/dbraw/zinc/11/16/05/524111605.db2.gz DTZUDMFELLMWOT-HXUWFJFHSA-N 1 0 394.471 3.225 50 30 GGEARO COc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2CCC[NH+](C)C)cc1 ZINC000102929938 525212657 /nfs/dbraw/zinc/21/26/57/525212657.db2.gz GTEYUONHSKHAGN-YDJIHCHBSA-N 1 0 394.471 3.069 50 30 GGEARO COc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2CC[NH+](C)C)cc1 ZINC000018059567 525218355 /nfs/dbraw/zinc/21/83/55/525218355.db2.gz XWBQAJLALBMMTH-HXUWFJFHSA-N 1 0 394.471 3.144 50 30 GGEARO COc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2CCC[NH+](C)C)cc1 ZINC000020025265 525225574 /nfs/dbraw/zinc/22/55/74/525225574.db2.gz QKICSLINYRLUNT-HXUWFJFHSA-N 1 0 394.471 3.225 50 30 GGEARO Cc1ccc(-c2c[n+](CC(=O)Nc3ccc4c(c3)OCCO4)c3n2CCC3)cc1 ZINC000013759111 525712479 /nfs/dbraw/zinc/71/24/79/525712479.db2.gz UYUBSQOOHJLENQ-UHFFFAOYSA-O 1 0 390.463 3.107 50 30 GGEARO COc1cccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2ccc(C)cc2)c1 ZINC000020231584 525783053 /nfs/dbraw/zinc/78/30/53/525783053.db2.gz CNMKKKSAOGOYRW-HXUWFJFHSA-N 1 0 394.471 3.144 50 30 GGEARO Cc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2CCC[NH+](C)C)o1 ZINC000005595833 525787705 /nfs/dbraw/zinc/78/77/05/525787705.db2.gz ACSOKSJGMJKMLW-SELCWUDQSA-N 1 0 386.423 3.101 50 30 GGEARO Cc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2CCC[NH+](C)C)cc1 ZINC000004311305 525787922 /nfs/dbraw/zinc/78/79/22/525787922.db2.gz IVUNTGRYZAUMEI-YDJIHCHBSA-N 1 0 378.472 3.368 50 30 GGEARO Cc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2ccccc2)cc1 ZINC000102863450 525942266 /nfs/dbraw/zinc/94/22/66/525942266.db2.gz YDUSPKAISFSOFJ-YDJIHCHBSA-N 1 0 378.472 3.368 50 30 GGEARO Cc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2ccccc2F)cc1 ZINC000104036163 525943946 /nfs/dbraw/zinc/94/39/46/525943946.db2.gz KVYBUEDMKJTVLQ-LFVOPCPISA-N 1 0 382.435 3.117 50 30 GGEARO Cc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2ccccc2)cc1 ZINC000102863449 525945159 /nfs/dbraw/zinc/94/51/59/525945159.db2.gz YDUSPKAISFSOFJ-NHFXJNLRSA-N 1 0 378.472 3.368 50 30 GGEARO Cc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@H]2c2ccccc2F)cc1 ZINC000013131108 526021818 /nfs/dbraw/zinc/02/18/18/526021818.db2.gz JIAQOFKSCXGVHA-IBGZPJMESA-N 1 0 382.435 3.274 50 30 GGEARO Cc1nn(CC(=O)c2ccc(Cl)cc2)c2[n+]1N=C(c1ccccc1)CS2 ZINC000028114404 526477160 /nfs/dbraw/zinc/47/71/60/526477160.db2.gz YBDDDTTZHIIIBO-UHFFFAOYSA-N 1 0 383.884 3.373 50 30 GGEARO Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2ccccc2)s1 ZINC000004311706 526688095 /nfs/dbraw/zinc/68/80/95/526688095.db2.gz ZZBRDJWUMKNTGU-QGZVFWFLSA-N 1 0 399.516 3.290 50 30 GGEARO Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2ccccc2)s1 ZINC000004311705 526688293 /nfs/dbraw/zinc/68/82/93/526688293.db2.gz ZZBRDJWUMKNTGU-KRWDZBQOSA-N 1 0 399.516 3.290 50 30 GGEARO N=C(NOC(=O)c1cccc([N+](=O)[O-])c1)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000004785040 526810886 /nfs/dbraw/zinc/81/08/86/526810886.db2.gz JGYJJSUNHBUKKK-UHFFFAOYSA-N 1 0 382.420 3.058 50 30 GGEARO [NH2+]=C(Cc1ccc([N+](=O)[O-])cc1)NOC(=O)COc1ccc2ccccc2c1 ZINC000013154216 526814933 /nfs/dbraw/zinc/81/49/33/526814933.db2.gz HJVUWNJZEYCTRZ-UHFFFAOYSA-N 1 0 379.372 3.185 50 30 GGEARO Clc1ccc(/C=N/N=C2\C3CN4CC2(c2ccccc2)C[N@H+](C3)CC4)cc1 ZINC000096576529 526938894 /nfs/dbraw/zinc/93/88/94/526938894.db2.gz NZJJFISPSCVBMU-JWMDJXKXSA-N 1 0 378.907 3.314 50 30 GGEARO O=C1CC(c2ccc(F)cc2)CC(=O)C1=CNC[C@H]1[NH2+]CCc2ccccc21 ZINC000100146718 526961587 /nfs/dbraw/zinc/96/15/87/526961587.db2.gz KSEUZXVMUSLZRQ-FBLFFUNLSA-N 1 0 378.447 3.202 50 30 GGEARO Cc1ccc(C(=[NH2+])NOC(=O)COc2ccc(Br)c(C)c2)cc1 ZINC000004685132 564205412 /nfs/dbraw/zinc/20/54/12/564205412.db2.gz LQDTUQIGCNYJRK-UHFFFAOYSA-N 1 0 377.238 3.308 50 30 GGEARO C=CCOc1ccc(C[NH2+]CCSc2nnnn2-c2ccccc2)cc1OC ZINC000008471127 570220960 /nfs/dbraw/zinc/22/09/60/570220960.db2.gz HNLGBKIKTABHPS-UHFFFAOYSA-N 1 0 397.504 3.118 50 30 GGEARO COc1cccc(C(=O)NC[C@@H]2CCC[N@H+](CC#Cc3ccccc3)C2)c1OC ZINC000012466282 570237813 /nfs/dbraw/zinc/23/78/13/570237813.db2.gz ZYNMNFWMLBGONJ-FQEVSTJZSA-N 1 0 392.499 3.197 50 30 GGEARO C=CCn1nc(C(=O)N2CCCCC2)c2c1CC[C@@H]([NH2+]Cc1ccc(F)cc1)C2 ZINC000014749153 570245499 /nfs/dbraw/zinc/24/54/99/570245499.db2.gz QAOJSNJAKOKICA-LJQANCHMSA-N 1 0 396.510 3.481 50 30 GGEARO C=CCCC(=O)N1CCC([N@@H+]2CCC[C@H](C(=O)NCCc3ccccc3)C2)CC1 ZINC000015074886 570246225 /nfs/dbraw/zinc/24/62/25/570246225.db2.gz IQCDCMJUMARJCN-NRFANRHFSA-N 1 0 397.563 3.015 50 30 GGEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@@H]1c1ccco1 ZINC000020188628 570246425 /nfs/dbraw/zinc/24/64/25/570246425.db2.gz TUMDRVKSAXRRKN-IBGZPJMESA-N 1 0 398.459 3.208 50 30 GGEARO CC(C)Oc1ccc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2CC[NH+](C)C)cc1 ZINC000020219538 570248637 /nfs/dbraw/zinc/24/86/37/570248637.db2.gz WLKNODPENRJDOR-LJQANCHMSA-N 1 0 398.459 3.207 50 30 GGEARO CC(C)Oc1ccc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2CC[NH+](C)C)cc1 ZINC000020219537 570248667 /nfs/dbraw/zinc/24/86/67/570248667.db2.gz WLKNODPENRJDOR-IBGZPJMESA-N 1 0 398.459 3.207 50 30 GGEARO CN(Cc1ccc(C#CCO)s1)[C@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1 ZINC000023358639 570300172 /nfs/dbraw/zinc/30/01/72/570300172.db2.gz ZDZGVIYUXOVUPD-FQEVSTJZSA-N 1 0 380.557 3.156 50 30 GGEARO O=C(c1cccs1)C1=C(O)C(=O)N(CCCn2ccnc2)[C@@H]1c1ccccc1 ZINC000104191757 570417095 /nfs/dbraw/zinc/41/70/95/570417095.db2.gz XXIPXEZOCUMRRO-SELCWUDQSA-N 1 0 393.468 3.457 50 30 GGEARO COc1ccc2sc(N(CC[NH+](C)C)C(=O)c3ccc(C#N)cc3)nc2c1 ZINC000005121507 570421438 /nfs/dbraw/zinc/42/14/38/570421438.db2.gz ROFRGOBDEBKREE-UHFFFAOYSA-N 1 0 380.473 3.385 50 30 GGEARO CC[NH+]1CCN(c2ccc(/N=C/c3cc4c(cc3[N+](=O)[O-])OCO4)cc2)CC1 ZINC000003038162 570530655 /nfs/dbraw/zinc/53/06/55/570530655.db2.gz LPYYQBBITVUBFO-FYJGNVAPSA-N 1 0 382.420 3.216 50 30 GGEARO O=C(C[n+]1cccc(NC(=O)c2ccccc2)c1)c1cc2ccccc2oc1=O ZINC000001951035 570535869 /nfs/dbraw/zinc/53/58/69/570535869.db2.gz UHBJLIVEBXURDN-UHFFFAOYSA-O 1 0 385.399 3.216 50 30 GGEARO C[NH+](C)CCN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@@H]1c1cccs1 ZINC000006812706 570617089 /nfs/dbraw/zinc/61/70/89/570617089.db2.gz LNUDZIDFQAZMHY-GHNGSUTGSA-N 1 0 396.468 3.478 50 30 GGEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@@H]1c1ccccn1 ZINC000005799468 570693048 /nfs/dbraw/zinc/69/30/48/570693048.db2.gz ZFKIUIYNAKCWIY-NHFXJNLRSA-N 1 0 393.487 3.154 50 30 GGEARO Cc1ccc([C@@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2CC[NH+](C)C)o1 ZINC000013065773 570744514 /nfs/dbraw/zinc/74/45/14/570744514.db2.gz OJSNSPBKJSYWKO-LJQANCHMSA-N 1 0 382.460 3.345 50 30 GGEARO Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@H]2c2ccccc2)c1 ZINC000018088858 570798207 /nfs/dbraw/zinc/79/82/07/570798207.db2.gz AIBSXGZOFCOXHO-FQEVSTJZSA-N 1 0 378.472 3.443 50 30 GGEARO COc1c2c(cc3c1[C@H](C(=O)Nc1c(C)cccc1C)[N+](C)(C)CC3)OCO2 ZINC000002134539 570835173 /nfs/dbraw/zinc/83/51/73/570835173.db2.gz LFEPSMCRVXXJBJ-LJQANCHMSA-O 1 0 383.468 3.353 50 30 biogenic GGEARO CC(C)c1ccc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2CC[NH+](C)C)cc1 ZINC000104220385 570897480 /nfs/dbraw/zinc/89/74/80/570897480.db2.gz ZXOCXPMWSQOPNQ-LFVOPCPISA-N 1 0 382.460 3.386 50 30 GGEARO Cc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@H]2c2ccc(F)cc2)cc1 ZINC000017159846 570942312 /nfs/dbraw/zinc/94/23/12/570942312.db2.gz QIOLDSLRFNSBLF-IBGZPJMESA-N 1 0 382.435 3.274 50 30 GGEARO Cc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2cccs2)cc1F ZINC000019214419 570943406 /nfs/dbraw/zinc/94/34/06/570943406.db2.gz IQJWAUJKOAJNPQ-QGZVFWFLSA-N 1 0 388.464 3.336 50 30 GGEARO COc1c2c(cc3c1[C@H](CC(O)=CC(=O)C(F)(F)F)[N+](C)(C)CC3)OCO2 ZINC000001280066 570953048 /nfs/dbraw/zinc/95/30/48/570953048.db2.gz OTBPTRIZACIXAM-LBPRGKRZSA-O 1 0 388.362 3.061 50 30 biogenic GGEARO C[C@]12CCC[C@]3(CO3)[C@@H]1C[C@H]1[C@@H](C2)OC(=O)[C@@H]1C[NH2+]CCc1ccc(F)cc1 ZINC000004028683 1398376843 /nfs/dbraw/zinc/37/68/43/1398376843.db2.gz MMPZDIHKVXWPMI-XPRTXTSQSA-N 1 0 387.495 3.485 50 30 biogenic GGEARO COc1ccc(CC[NH2+]C[C@H]2C(=O)O[C@@H]3C[C@@]4(C)CCC[C@]5(CO5)[C@H]4C[C@@H]32)cc1 ZINC000004028698 1398376917 /nfs/dbraw/zinc/37/69/17/1398376917.db2.gz SBUJQWNPHRABOX-MUWCXKAGSA-N 1 0 399.531 3.354 50 30 biogenic GGEARO COc1cccc(/C(C[C@H]2c3c(cc4c(c3OC)OCO4)CC[N@H+]2C)=N\O)c1 ZINC000004028256 1398377107 /nfs/dbraw/zinc/37/71/07/1398377107.db2.gz JRQDNYRAOVPLFL-DBZAVIBRSA-N 1 0 384.432 3.230 50 30 GGEARO COc1ccc(C[NH2+]C[C@H]2C(=O)O[C@@H]3C[C@@]4(C)CCC[C@H](C)[C@@]45O[C@H]5[C@@H]32)cc1 ZINC000004042085 1398377488 /nfs/dbraw/zinc/37/74/88/1398377488.db2.gz CSUXWMCNCBHXHE-KBZKQCKASA-N 1 0 385.504 3.310 50 30 biogenic GGEARO C=CCn1nc(C(=O)N2CCCCC2)c2c1CC[C@@H]([NH2+]CCc1ccccc1)C2 ZINC000014536591 1399109829 /nfs/dbraw/zinc/10/98/29/1399109829.db2.gz WXTMTKWKVSKLGR-HXUWFJFHSA-N 1 0 392.547 3.385 50 30 GGEARO C=CCn1nc(C(=O)N2CCCC2)c2c1CC[C@@H]([NH2+]CCc1ccc(F)cc1)C2 ZINC000014531340 1399109936 /nfs/dbraw/zinc/10/99/36/1399109936.db2.gz XPSMLFCJSZYQEH-LJQANCHMSA-N 1 0 396.510 3.134 50 30 GGEARO C=CCn1nc(C(=O)N2CCCCC2)c2c1CC[C@H]([NH2+]CCc1ccccc1)C2 ZINC000014536590 1399109986 /nfs/dbraw/zinc/10/99/86/1399109986.db2.gz WXTMTKWKVSKLGR-FQEVSTJZSA-N 1 0 392.547 3.385 50 30 GGEARO Cn1cc(C[NH+]2CCC3(CC2)C[C@H](c2ccccc2)C(=O)N(C)C3)cc1C#N ZINC000091574170 1410073799 /nfs/dbraw/zinc/07/37/99/1410073799.db2.gz VTCQGSLMXYHJIK-OAQYLSRUSA-N 1 0 376.504 3.125 50 30 GGEARO Cn1cc(C[NH+]2CCC3(CC2)C[C@@H](c2ccccc2)C(=O)N(C)C3)cc1C#N ZINC000091574171 1410074266 /nfs/dbraw/zinc/07/42/66/1410074266.db2.gz VTCQGSLMXYHJIK-NRFANRHFSA-N 1 0 376.504 3.125 50 30 GGEARO N#Cc1ccc(C[N@H+]2CCC[C@]3(CCC(=O)N(CCc4ccccn4)C3)C2)cc1 ZINC000091656860 1410074725 /nfs/dbraw/zinc/07/47/25/1410074725.db2.gz AYHLZWHQNWCQIJ-DEOSSOPVSA-N 1 0 388.515 3.401 50 30 GGEARO COc1ccc(C[N@@H+]2C[C@@H]3CC[C@H](C2)N(C(=O)c2ccccc2C#N)C3)cc1 ZINC000095384404 1410309917 /nfs/dbraw/zinc/30/99/17/1410309917.db2.gz ISOKLNCULFEFKN-AZUAARDMSA-N 1 0 375.472 3.303 50 30 GGEARO COc1ccccc1CC[NH2+]C[C@@H]1C(=O)O[C@@H]2C[C@@]3(C)CCC[C@H](C)[C@]34O[C@@H]4[C@H]12 ZINC000252693523 1433864406 /nfs/dbraw/zinc/86/44/06/1433864406.db2.gz DNRINTCEPXFLKL-XERQGPTFSA-N 1 0 399.531 3.353 50 30 biogenic GGEARO CC[NH+](CC)CCn1c2ccccc2n(CC(=O)c2ccc(C#N)cc2)c1=N ZINC000253470639 1433867632 /nfs/dbraw/zinc/86/76/32/1433867632.db2.gz SZTFJYRQDRJSTN-UHFFFAOYSA-N 1 0 375.476 3.019 50 30 GGEARO COc1c2c(cc3c1[C@H](C#CCOc1ccc(F)cc1)[N+](C)(C)CC3)OCO2 ZINC000008764443 717106685 /nfs/dbraw/zinc/10/66/85/717106685.db2.gz OPABYATVNJSWTD-SFHVURJKSA-N 1 0 384.427 3.319 50 30 biogenic GGEARO Cc1ccc([C@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2CC[NH+](C)C)o1 ZINC000013065767 230883267 /nfs/dbraw/zinc/88/32/67/230883267.db2.gz OJSNSPBKJSYWKO-IBGZPJMESA-N 1 0 382.460 3.345 50 30 GGEARO N#Cc1ccccc1-c1cccc(C(=O)N[C@H]2COC[C@@H]2[NH+]2CCCCC2)c1 ZINC000426429103 231220907 /nfs/dbraw/zinc/22/09/07/231220907.db2.gz UKTKMSYIGNUZTE-VXKWHMMOSA-N 1 0 375.472 3.208 50 30 GGEARO COc1ccc(Br)c(C(=O)NCC#CC[NH+](C(C)C)C(C)C)c1 ZINC000077197633 209111880 /nfs/dbraw/zinc/11/18/80/209111880.db2.gz GTFOMMFAZGDQFU-UHFFFAOYSA-N 1 0 381.314 3.310 50 30 GGEARO CC(C)(O)C#Cc1ccc(C[N@@H+]2CCC[C@H](CCC(=O)N3CCCC3)C2)cc1 ZINC000012203470 206245005 /nfs/dbraw/zinc/24/50/05/206245005.db2.gz YJQBNBWWFDCJED-OAQYLSRUSA-N 1 0 382.548 3.424 50 30 GGEARO CC(C)(O)C#Cc1ccc(C[N@@H+]2CCC[C@@H](CNC(=O)c3ccco3)C2)cc1 ZINC000012712255 206245907 /nfs/dbraw/zinc/24/59/07/206245907.db2.gz USUTYJNZEIHMSL-FQEVSTJZSA-N 1 0 380.488 3.044 50 30 GGEARO C=CCc1cccc(CNc2nc3ccccc3n2CCN2CCOCC2)c1O ZINC000000814087 206248757 /nfs/dbraw/zinc/24/87/57/206248757.db2.gz MPMCDQWHFDJOKI-UHFFFAOYSA-N 1 0 392.503 3.415 50 30 GGEARO C=CCOc1ccccc1CN1CC[N@H+](CCc2ccccc2)[C@@H](CCO)C1 ZINC000020869476 206251281 /nfs/dbraw/zinc/25/12/81/206251281.db2.gz HSJMYZPDTFLVHG-QHCPKHFHSA-N 1 0 380.532 3.363 50 30 GGEARO C[NH+](C)[C@@H](CNC(=O)C(=O)Nc1ccccc1C#N)c1cccc2ccccc21 ZINC000010333546 206384186 /nfs/dbraw/zinc/38/41/86/206384186.db2.gz JLXQUFXPEZLGQT-NRFANRHFSA-N 1 0 386.455 3.069 50 30 GGEARO CC[NH+](CC)CCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1ccccn1 ZINC000004041541 206499913 /nfs/dbraw/zinc/49/99/13/206499913.db2.gz HDWNFSIHDZGZRG-NHFXJNLRSA-N 1 0 393.487 3.235 50 30 GGEARO Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2ccccc2)c1 ZINC000018097294 207092578 /nfs/dbraw/zinc/09/25/78/207092578.db2.gz AIBSXGZOFCOXHO-HXUWFJFHSA-N 1 0 378.472 3.443 50 30 GGEARO CC[NH+](CC)CCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1ccccn1 ZINC000019938507 207172100 /nfs/dbraw/zinc/17/21/00/207172100.db2.gz WYKSGIVWAVWPTJ-HXUWFJFHSA-N 1 0 393.487 3.392 50 30 GGEARO C[NH+](C)CCN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@@H]1c1ccco1 ZINC000020219355 207184720 /nfs/dbraw/zinc/18/47/20/207184720.db2.gz AJBWWARXUBGZIQ-SFHVURJKSA-N 1 0 380.400 3.166 50 30 GGEARO CCn1cc(C[NH+]2CCC3(CC2)c2[nH]cnc2CCN3CC(C)C)cc1C#N ZINC000091519410 208124199 /nfs/dbraw/zinc/12/41/99/208124199.db2.gz DFAZZUQIIYDBJJ-UHFFFAOYSA-N 1 0 380.540 3.108 50 30 GGEARO Cc1cnc(CN2CC3(CCC2=O)CC[NH+](Cc2ccccc2C#N)CC3)cn1 ZINC000091769602 208135879 /nfs/dbraw/zinc/13/58/79/208135879.db2.gz MSOMNPGTIWKJSD-UHFFFAOYSA-N 1 0 389.503 3.062 50 30 GGEARO Cc1ccccc1CC[N@H+]1CCC[C@H](CN(C)C(=O)c2cc(C#N)cn2C)C1 ZINC000095510003 208210069 /nfs/dbraw/zinc/21/00/69/208210069.db2.gz QICGIZSNVKTMAZ-LJQANCHMSA-N 1 0 378.520 3.232 50 30 GGEARO CN(CC1CC[NH+](CCc2cccc(F)c2)CC1)C(=O)c1cc(C#N)cn1C ZINC000095519540 208216146 /nfs/dbraw/zinc/21/61/46/208216146.db2.gz VVVDYWOVSVMRNA-UHFFFAOYSA-N 1 0 382.483 3.063 50 30 GGEARO COc1ccc(/[NH+]=C(/C)N(C)CCNS(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000100471039 208377298 /nfs/dbraw/zinc/37/72/98/208377298.db2.gz BNTRNCNLVVLOFR-STZFKDTASA-N 1 0 395.912 3.309 50 30 GGEARO Cc1cc(C)c(C#N)c(N2CCC([N@@H+]3CC[C@](O)(c4ccccc4)C3)CC2)n1 ZINC000095367509 136178253 /nfs/dbraw/zinc/17/82/53/136178253.db2.gz WHYMIVSBXDMYIL-HSZRJFAPSA-N 1 0 376.504 3.132 50 30 GGEARO C#CCN(CC=C)C(=O)c1ccc(OC2CC[NH+](Cc3ccccn3)CC2)cc1 ZINC000012308518 518259189 /nfs/dbraw/zinc/25/91/89/518259189.db2.gz YKCZNRPGRIPXTH-UHFFFAOYSA-N 1 0 389.499 3.386 50 30 GGEARO C(#CCN1CC[NH+](Cc2ccccc2)CC1)COCCOCc1ccccc1 ZINC000019367960 518369939 /nfs/dbraw/zinc/36/99/39/518369939.db2.gz CYQXMEKKSRFYER-UHFFFAOYSA-N 1 0 378.516 3.041 50 30 GGEARO CC(=O)c1cccc(NC(=O)C[n+]2cc(-c3ccc(F)cc3)n3c2CCC3)c1 ZINC000013776832 518431970 /nfs/dbraw/zinc/43/19/70/518431970.db2.gz ZGFGYIHSKKBACT-UHFFFAOYSA-O 1 0 378.427 3.369 50 30 GGEARO C=C(C)CN1C(=O)N[C@@](CC)(C2CC[NH+](Cc3cccc(OC)c3)CC2)C1=O ZINC000011815140 518601527 /nfs/dbraw/zinc/60/15/27/518601527.db2.gz QRZBRIVCMWPAPE-QFIPXVFZSA-N 1 0 385.508 3.184 50 30 GGEARO C=CCC1(CC=C)CCCN1C(=O)C[C@H]1C(=O)NCC[N@H+]1CC1CCCCC1 ZINC000012710714 518691230 /nfs/dbraw/zinc/69/12/30/518691230.db2.gz FCUIPRWLDUSFPC-FQEVSTJZSA-N 1 0 387.568 3.271 50 30 GGEARO C=CC[N@H+]1CCC[C@H]1C(=O)N1CCC(O)(c2ccc3nc(C)ccc3c2)CC1 ZINC000067804324 518859187 /nfs/dbraw/zinc/85/91/87/518859187.db2.gz PWRJFJXUPSJZRM-NRFANRHFSA-N 1 0 379.504 3.004 50 30 GGEARO C=CCN1CC[C@]2(CN(Cc3cccc(C(F)(F)F)c3)CC[N@H+]2C)CCC1=O ZINC000095391639 518870420 /nfs/dbraw/zinc/87/04/20/518870420.db2.gz YVWWCXXSKKBLNV-FQEVSTJZSA-N 1 0 395.469 3.390 50 30 GGEARO C=CCNc1nc(N2CCOCC2)c(C#N)c2c1C[N@@H+](C1CCCCC1)CC2 ZINC000013509948 518963969 /nfs/dbraw/zinc/96/39/69/518963969.db2.gz BQOXAVPKKRONAT-UHFFFAOYSA-N 1 0 381.524 3.079 50 30 GGEARO C=CCSc1nnc([C@@H]2CCC[N@@H+](Cc3ccc(C(=O)OC)cc3)C2)n1C ZINC000020992831 519091173 /nfs/dbraw/zinc/09/11/73/519091173.db2.gz LERSHNNFZIFTJB-QGZVFWFLSA-N 1 0 386.521 3.259 50 30 GGEARO C=CCc1cc(-c2c(C#N)c(N)nc3c2[C@H]2CC[C@@H](C3)[N@@H+]2C)cc(OC)c1O ZINC000067856681 519122945 /nfs/dbraw/zinc/12/29/45/519122945.db2.gz ZQAUDFYVBJIZCC-WMLDXEAASA-N 1 0 376.460 3.337 50 30 GGEARO CC(C)(O)C#Cc1ccc(CN2CC[N@@H+](C3CCCCC3)[C@H](CCO)C2)s1 ZINC000036385705 519328916 /nfs/dbraw/zinc/32/89/16/519328916.db2.gz SYABXXCGMNWUKQ-LJQANCHMSA-N 1 0 390.593 3.072 50 30 GGEARO CC[NH+](CC)CCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1cccnc1 ZINC000019827175 520602799 /nfs/dbraw/zinc/60/27/99/520602799.db2.gz RYUFYYQBCINDCK-FQEVSTJZSA-N 1 0 393.487 3.392 50 30 GGEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@H]1c1cccnc1 ZINC000100508966 520649384 /nfs/dbraw/zinc/64/93/84/520649384.db2.gz NWPTWSDWUZAHNX-YDJIHCHBSA-N 1 0 393.487 3.154 50 30 GGEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@@H]1c1ccncc1 ZINC000102928278 520649448 /nfs/dbraw/zinc/64/94/48/520649448.db2.gz YVVPYABKHXRLSG-NHFXJNLRSA-N 1 0 393.487 3.154 50 30 GGEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2cccs2)[C@@H]1c1ccc(C)o1 ZINC000006785308 520654074 /nfs/dbraw/zinc/65/40/74/520654074.db2.gz BXQZIRRYQGJCIS-HVESIFNPSA-N 1 0 388.489 3.413 50 30 GGEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@H]1c1ccccn1 ZINC000020227582 520658336 /nfs/dbraw/zinc/65/83/36/520658336.db2.gz HRJHIOKGUGUJCP-HXUWFJFHSA-N 1 0 393.487 3.310 50 30 GGEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccco2)[C@@H]1c1ccc(OC)cc1 ZINC000019925694 520659755 /nfs/dbraw/zinc/65/97/55/520659755.db2.gz ZTTOJOGKGHNYMI-IBGZPJMESA-N 1 0 398.459 3.208 50 30 GGEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccco2)[C@H]1c1ccc(OC)cc1 ZINC000019925695 520659809 /nfs/dbraw/zinc/65/98/09/520659809.db2.gz ZTTOJOGKGHNYMI-LJQANCHMSA-N 1 0 398.459 3.208 50 30 GGEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2cccs2)[C@H]1c1ccccn1 ZINC000020219285 520660599 /nfs/dbraw/zinc/66/05/99/520660599.db2.gz NLJORJXAWLJIAW-QGZVFWFLSA-N 1 0 385.489 3.063 50 30 GGEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2cccs2)[C@@H]1c1cccnc1 ZINC000020135379 520660746 /nfs/dbraw/zinc/66/07/46/520660746.db2.gz MCZUYDYQZZTJQU-KRWDZBQOSA-N 1 0 385.489 3.063 50 30 GGEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2cccs2)[C@H]1c1ccncc1 ZINC000020135219 520660813 /nfs/dbraw/zinc/66/08/13/520660813.db2.gz JMRBXDAQDBFHOH-QGZVFWFLSA-N 1 0 385.489 3.063 50 30 GGEARO CCN(CC)c1ccc(/C=[NH+]/N2CCN(c3ccccc3OC)CC2)c(O)c1 ZINC000001477307 520882185 /nfs/dbraw/zinc/88/21/85/520882185.db2.gz DXFUOAIOGSWNKN-HAVVHWLPSA-N 1 0 382.508 3.403 50 30 GGEARO CCOc1ccc(C(=O)C[n+]2ccc(C(=O)NCc3ccccc3)cc2)cc1 ZINC000002684677 520889612 /nfs/dbraw/zinc/88/96/12/520889612.db2.gz NUIUAPQHXBAYRT-UHFFFAOYSA-O 1 0 375.448 3.186 50 30 GGEARO CCOc1ccc(NC(=[NH2+])Nc2nc(CSc3ccccn3)cc(=O)[nH]2)cc1 ZINC000005890461 521031872 /nfs/dbraw/zinc/03/18/72/521031872.db2.gz JLWGOVQMCYCSDD-UHFFFAOYSA-N 1 0 396.476 3.327 50 30 GGEARO C[N@H+](CCc1ccccc1)C1(C(=O)N2CCC(C#N)CC2)Cc2ccccc2C1 ZINC000072135387 522951937 /nfs/dbraw/zinc/95/19/37/522951937.db2.gz FWBNHRIZYJOUAR-UHFFFAOYSA-N 1 0 387.527 3.461 50 30 GGEARO COc1ccc(-c2c[n+](CC(=O)Nc3cccc(OC)c3)c3n2CCC3)cc1 ZINC000016955872 523080889 /nfs/dbraw/zinc/08/08/89/523080889.db2.gz HAZQAKNQIZQWIU-UHFFFAOYSA-O 1 0 378.452 3.045 50 30 GGEARO COc1ccc(-c2c[n+](CC(=O)c3cccc([N+](=O)[O-])c3)c3n2CCC3)cc1 ZINC000017206296 523081970 /nfs/dbraw/zinc/08/19/70/523081970.db2.gz CHKFUFJXFQMKKZ-UHFFFAOYSA-N 1 0 378.408 3.189 50 30 GGEARO COc1ccc(-c2c[n+](CC(=O)c3ccc(OC)c(OC)c3)c3n2CCC3)cc1 ZINC000016996425 523082155 /nfs/dbraw/zinc/08/21/55/523082155.db2.gz PUWPFMWCOOBYNB-UHFFFAOYSA-N 1 0 393.463 3.298 50 30 GGEARO COc1ccc(-c2c[n+](CC(=O)c3ccc([N+](=O)[O-])cc3)c3n2CCC3)cc1 ZINC000017248573 523082485 /nfs/dbraw/zinc/08/24/85/523082485.db2.gz VTBRPEMJAONGFO-UHFFFAOYSA-N 1 0 378.408 3.189 50 30 GGEARO COc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@H]2c2ccccc2)c(C)c1 ZINC000018042275 523557862 /nfs/dbraw/zinc/55/78/62/523557862.db2.gz GZFCKDXCQVXZNL-FQEVSTJZSA-N 1 0 394.471 3.144 50 30 GGEARO COc1ccc(C/C(C[C@@H]2c3c(cc4c(c3OC)OCO4)CC[N@H+]2C)=N/O)cc1 ZINC000036034691 523865130 /nfs/dbraw/zinc/86/51/30/523865130.db2.gz URHNFWAQTJNDJE-MPGAHLTBSA-N 1 0 398.459 3.425 50 30 biogenic GGEARO COc1ccc(C[N@@H+]2CCN(CC#Cc3ccccc3)C[C@@H]2CCO)c(C)c1C ZINC000019770783 524031552 /nfs/dbraw/zinc/03/15/52/524031552.db2.gz AVKLNWNUJIMKNP-DEOSSOPVSA-N 1 0 392.543 3.232 50 30 GGEARO C[NH+](C)CCC[NH+]=Cc1c(=O)n(-c2ccc([N+](=O)[O-])cc2)[n-]c1-c1ccccc1 ZINC000100256993 524051115 /nfs/dbraw/zinc/05/11/15/524051115.db2.gz HJXNWAVBSFVLTK-PXLXIMEGSA-N 1 0 393.447 3.111 50 30 GGEARO C[NH+](C)CCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1ccccc1F ZINC000020024157 524054945 /nfs/dbraw/zinc/05/49/45/524054945.db2.gz FAEFBKHSLHEKGV-IBGZPJMESA-N 1 0 382.435 3.356 50 30 GGEARO C[NH+](C)CCCN1C(=O)C(O)=C(C(=O)c2ccncc2)[C@H]1c1cccc(Cl)c1 ZINC000006787113 524054976 /nfs/dbraw/zinc/05/49/76/524054976.db2.gz CXZVEDUDXLFKPU-SELCWUDQSA-N 1 0 399.878 3.108 50 30 GGEARO C[NH+](C)CCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1ccccc1 ZINC000019938290 524055044 /nfs/dbraw/zinc/05/50/44/524055044.db2.gz ONEVVSGOWOHBFH-LJQANCHMSA-N 1 0 382.435 3.356 50 30 GGEARO C[NH+](C)CCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1ccncc1 ZINC000019928020 524055201 /nfs/dbraw/zinc/05/52/01/524055201.db2.gz MXGPFDDZSKCYQI-SFHVURJKSA-N 1 0 399.878 3.265 50 30 GGEARO C[NH+](C)CCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1ccccn1 ZINC000019972667 524055219 /nfs/dbraw/zinc/05/52/19/524055219.db2.gz CMQQTIDPWQRXBS-SFHVURJKSA-N 1 0 399.878 3.265 50 30 GGEARO COc1ccc(NC(=[NH2+])Nc2nc(CSc3ccc(C)cc3)cc(=O)[nH]2)cc1 ZINC000018166543 524378467 /nfs/dbraw/zinc/37/84/67/524378467.db2.gz RPUQYKCAAKVZGN-UHFFFAOYSA-N 1 0 395.488 3.438 50 30 GGEARO COc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2CC[NH+](C)C)cc1 ZINC000017863017 525387003 /nfs/dbraw/zinc/38/70/03/525387003.db2.gz XWBQAJLALBMMTH-FQEVSTJZSA-N 1 0 394.471 3.144 50 30 GGEARO Cc1ccc([C@@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2CC[NH+](C)C)o1 ZINC000020134153 525790122 /nfs/dbraw/zinc/79/01/22/525790122.db2.gz UZBMRPSSWVHSPL-LJQANCHMSA-N 1 0 394.427 3.474 50 30 GGEARO Cc1ccc(C(=[NH2+])NOC(=O)COc2ccc(C)cc2Br)cc1 ZINC000004682080 525943231 /nfs/dbraw/zinc/94/32/31/525943231.db2.gz AWOHPIUTAGTSAK-UHFFFAOYSA-N 1 0 377.238 3.308 50 30 GGEARO Cc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@H]2c2ccc(F)cc2)cc1 ZINC000102517765 525944634 /nfs/dbraw/zinc/94/46/34/525944634.db2.gz POWLUAGCJUIIQT-WOOAAIBNSA-N 1 0 382.435 3.117 50 30 GGEARO Cc1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2CCC[NH+](C)C)o1 ZINC000005595842 525979973 /nfs/dbraw/zinc/97/99/73/525979973.db2.gz ACSOKSJGMJKMLW-GHNGSUTGSA-N 1 0 386.423 3.101 50 30 GGEARO Cc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2CC[NH+](C)C)o1 ZINC000005595839 525980632 /nfs/dbraw/zinc/98/06/32/525980632.db2.gz YJHYLEGIIYADGN-HVESIFNPSA-N 1 0 388.851 3.225 50 30 GGEARO Cc1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2CCC[NH+](C)C)o1 ZINC000019927955 525984177 /nfs/dbraw/zinc/98/41/77/525984177.db2.gz VRTXEZVGPJRUQS-SFHVURJKSA-N 1 0 386.423 3.257 50 30 GGEARO Cc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2CC[NH+](C)C)o1 ZINC000019928012 525984609 /nfs/dbraw/zinc/98/46/09/525984609.db2.gz BBOXQZXHPYEBIU-KRWDZBQOSA-N 1 0 388.851 3.381 50 30 GGEARO Cc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2ccc(C)cc2)cc1 ZINC000019898795 526021700 /nfs/dbraw/zinc/02/17/00/526021700.db2.gz KCMRMBCOWCPPNG-HXUWFJFHSA-N 1 0 378.472 3.443 50 30 GGEARO Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2ccc(O)cc2)c1 ZINC000020255439 526257653 /nfs/dbraw/zinc/25/76/53/526257653.db2.gz NCOPCUWUORRVBU-HXUWFJFHSA-N 1 0 394.471 3.149 50 30 GGEARO Clc1ccc(/C=N/N=C2/C3CN4CC2(c2ccccc2)C[N@H+](C3)CC4)cc1 ZINC000101514065 526938402 /nfs/dbraw/zinc/93/84/02/526938402.db2.gz NZJJFISPSCVBMU-FOSQEZJDSA-N 1 0 378.907 3.314 50 30 GGEARO C=CC[NH+](CC=C)[C@@H]1CCc2c(c(C(=O)N(C)Cc3ccco3)nn2CC)C1 ZINC000014540140 527646205 /nfs/dbraw/zinc/64/62/05/527646205.db2.gz QNUQVQUWHFCZIF-QGZVFWFLSA-N 1 0 382.508 3.300 50 30 GGEARO COc1ccccc1N1CC[NH+]([C@@H]2CCCN(c3nc(C)ccc3C#N)C2)CC1 ZINC000072160954 537070279 /nfs/dbraw/zinc/07/02/79/537070279.db2.gz FTMZISWJAHCTSI-HXUWFJFHSA-N 1 0 391.519 3.061 50 30 GGEARO O=C(Cn1c[n+](CC(=O)c2ccccc2)cn1)c1ccc(Cl)cc1Cl ZINC000001800103 564186790 /nfs/dbraw/zinc/18/67/90/564186790.db2.gz AVKQCUBUDBYSGN-UHFFFAOYSA-N 1 0 375.235 3.243 50 30 GGEARO CC1(C)C(c2ccc(Br)cc2)[N+](=O)[C@]2(CCCC/C2=N\O)N1O ZINC000005102015 564212366 /nfs/dbraw/zinc/21/23/66/564212366.db2.gz OLWBTQIBTADYTR-APVMCDBPSA-N 1 0 382.258 3.332 50 30 GGEARO CCc1n(C)c(=O)c2ccccc2[n+]1CC(=O)c1ccc(Br)cc1 ZINC000005667862 564218632 /nfs/dbraw/zinc/21/86/32/564218632.db2.gz FZJOTWQUSBNGDZ-UHFFFAOYSA-N 1 0 386.269 3.034 50 30 GGEARO OCCC#Cc1ccc(C[N@@H+]2CCC[C@@](CO)(CCOc3ccccc3)C2)cc1 ZINC000011842466 570233998 /nfs/dbraw/zinc/23/39/98/570233998.db2.gz GRUXYELPYKJTLB-RUZDIDTESA-N 1 0 393.527 3.464 50 30 GGEARO OCCC#Cc1ccc(C[N@@H+]2CCC[C@](CO)(CCOc3ccccc3)C2)cc1 ZINC000011842467 570234660 /nfs/dbraw/zinc/23/46/60/570234660.db2.gz GRUXYELPYKJTLB-VWLOTQADSA-N 1 0 393.527 3.464 50 30 GGEARO C=C(C)CNC(=O)C1CC[NH+](C2CCN(c3nc4ccccc4o3)CC2)CC1 ZINC000011843732 570234679 /nfs/dbraw/zinc/23/46/79/570234679.db2.gz ZYUONUFLLFDXMU-UHFFFAOYSA-N 1 0 382.508 3.201 50 30 GGEARO C=C(C)COc1ccc2c(C)c(CCC(=O)NCCC[NH+](C)C)c(=O)oc2c1 ZINC000013629081 570241833 /nfs/dbraw/zinc/24/18/33/570241833.db2.gz RIUSIRHTQFBHJU-UHFFFAOYSA-N 1 0 386.492 3.057 50 30 GGEARO C=CCn1nc(C(=O)N2CCCCC2)c2c1CC[C@@H]([NH2+]Cc1cccc(F)c1)C2 ZINC000014541767 570244763 /nfs/dbraw/zinc/24/47/63/570244763.db2.gz VJTYYHHYKLKXQV-LJQANCHMSA-N 1 0 396.510 3.481 50 30 GGEARO C=CCn1nc(C(=O)N2CCCC2)c2c1CC[C@H]([NH2+]Cc1cccc(F)c1)C2 ZINC000014531630 570244807 /nfs/dbraw/zinc/24/48/07/570244807.db2.gz XGKNDYGXJMPLRG-SFHVURJKSA-N 1 0 382.483 3.091 50 30 GGEARO C=CCn1nc(C(=O)N2CCCCC2)c2c1CC[C@@H]([NH2+]Cc1ccccc1F)C2 ZINC000014753865 570245989 /nfs/dbraw/zinc/24/59/89/570245989.db2.gz XFRGXHYBLYRUCW-GOSISDBHSA-N 1 0 396.510 3.481 50 30 GGEARO COc1ccc([C@@H]2CN(C(=O)c3cccc(C#N)c3)[C@H]3[C@@H]2[NH+]2CCC3CC2)cc1 ZINC000071762379 570283088 /nfs/dbraw/zinc/28/30/88/570283088.db2.gz BGIUNLJDECRJGE-YTFSRNRJSA-N 1 0 387.483 3.269 50 30 GGEARO CC[NH+](CC)CCCN1C(=O)C(O)=C(C(=O)c2ccc(C)o2)[C@@H]1c1ccncc1 ZINC000006785093 570283959 /nfs/dbraw/zinc/28/39/59/570283959.db2.gz RCHVVDJNTCRZPG-WOOAAIBNSA-N 1 0 397.475 3.137 50 30 GGEARO CN(Cc1ccc(C#CCO)s1)[C@@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1 ZINC000023358638 570300131 /nfs/dbraw/zinc/30/01/31/570300131.db2.gz ZDZGVIYUXOVUPD-HXUWFJFHSA-N 1 0 380.557 3.156 50 30 GGEARO COc1cccc([C@H]2CN(C(=O)c3cccc(C#N)c3)[C@H]3[C@@H]2[NH+]2CCC3CC2)c1 ZINC000072163985 570312260 /nfs/dbraw/zinc/31/22/60/570312260.db2.gz AGTPHZOMKVMOCA-DNVJHFABSA-N 1 0 387.483 3.269 50 30 GGEARO CCOC(=O)c1cc[n+](CC(=O)c2ccc(NC(=O)c3ccccc3)cc2)cc1 ZINC000004697148 570394240 /nfs/dbraw/zinc/39/42/40/570394240.db2.gz MSXDWNSFXKPGIW-UHFFFAOYSA-O 1 0 389.431 3.286 50 30 GGEARO C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](C[NH+]4CCC5(CC4)OCCO5)[C@H]3C[C@H]12 ZINC000006472581 570444595 /nfs/dbraw/zinc/44/45/95/570444595.db2.gz PAXXEMKFBLFNJK-DRJBRKBZSA-N 1 0 375.509 3.140 50 30 biogenic GGEARO C[NH+](C)CCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1ccccc1 ZINC000005408678 570585865 /nfs/dbraw/zinc/58/58/65/570585865.db2.gz CDSUBEHMDYQEET-LFVOPCPISA-N 1 0 382.435 3.199 50 30 GGEARO CC(C)Oc1ccc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2CC[NH+](C)C)cc1 ZINC000006781946 570589583 /nfs/dbraw/zinc/58/95/83/570589583.db2.gz KSHAMKDPNMZXEY-WOOAAIBNSA-N 1 0 398.459 3.050 50 30 GGEARO C[NH+](C)CCCN1C(=O)C(O)=C(C(=O)c2ccncc2)[C@@H]1c1cccc(Cl)c1 ZINC000006812680 570617011 /nfs/dbraw/zinc/61/70/11/570617011.db2.gz CXZVEDUDXLFKPU-GHNGSUTGSA-N 1 0 399.878 3.108 50 30 GGEARO C[NH+](C)CCN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@@H]1c1ccco1 ZINC000006812705 570617025 /nfs/dbraw/zinc/61/70/25/570617025.db2.gz BMTKPBFOSAFNPH-GHNGSUTGSA-N 1 0 380.400 3.009 50 30 GGEARO C[NH+](C)CCN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@H]1c1cccs1 ZINC000006812687 570617173 /nfs/dbraw/zinc/61/71/73/570617173.db2.gz LNUDZIDFQAZMHY-SELCWUDQSA-N 1 0 396.468 3.478 50 30 GGEARO C#C[C@](C)(CC)OC[C@H](O)C[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000012421441 570672690 /nfs/dbraw/zinc/67/26/90/570672690.db2.gz JQDDMPJAZVZFEI-RTBURBONSA-N 1 0 384.442 3.007 50 30 GGEARO C[C@@H]1C2=C(CC(C)(C)CC2=O)Nc2ccccc2N1CC(=O)NCCC[NH+](C)C ZINC000012652036 570695552 /nfs/dbraw/zinc/69/55/52/570695552.db2.gz AKGOJBVCWNLASB-MRXNPFEDSA-N 1 0 398.551 3.018 50 30 GGEARO COc1cccc2sc(N(CC[NH+](C)C)C(=O)c3ccc(C#N)cc3)nc21 ZINC000004359245 570700458 /nfs/dbraw/zinc/70/04/58/570700458.db2.gz RAELPSJFNKZLTF-UHFFFAOYSA-N 1 0 380.473 3.385 50 30 GGEARO N#Cc1cc([N+](=O)[O-])c(N2CC[NH+](C34CC5CC(CC(C5)C3)C4)CC2)cc1C#N ZINC000004629032 570736456 /nfs/dbraw/zinc/73/64/56/570736456.db2.gz PHSYVHQQWOOSCE-UHFFFAOYSA-N 1 0 391.475 3.429 50 30 GGEARO C[N@H+](CCc1ccccn1)C[C@H]1C(=O)O[C@@H]2C[C@@]3(C)CCC[C@]4(CO4)[C@H]3C[C@@H]21 ZINC000003999796 1398375850 /nfs/dbraw/zinc/37/58/50/1398375850.db2.gz JMHALWDHIFYNGT-NGJIECEZSA-N 1 0 384.520 3.083 50 30 biogenic GGEARO COc1ccc(CC[NH2+]C[C@H]2C(=O)O[C@@H]3C[C@@]4(C)CCC[C@]5(CO5)[C@@H]4C[C@@H]32)cc1 ZINC000004028697 1398376728 /nfs/dbraw/zinc/37/67/28/1398376728.db2.gz SBUJQWNPHRABOX-FWDUKEBRSA-N 1 0 399.531 3.354 50 30 biogenic GGEARO COc1cc(/C=C/c2nc(C#N)c(NCCC[NH+](C)C)o2)cc(OC)c1OC ZINC000008373920 1398827230 /nfs/dbraw/zinc/82/72/30/1398827230.db2.gz DLVONNNIGPMJIZ-BQYQJAHWSA-N 1 0 386.452 3.106 50 30 GGEARO C[NH+](C)CCCN1C(=O)C(O)=C(C(=O)c2cccs2)[C@@H]1c1ccccc1F ZINC000008996989 1398851632 /nfs/dbraw/zinc/85/16/32/1398851632.db2.gz LIHZSSSFGSXLAN-HVESIFNPSA-N 1 0 388.464 3.261 50 30 GGEARO CC[C@H]1CCCC[N@@H+]1C[C@@H](O)Cn1c2ccccc2n2c1c(C#N)c(C)cc2=O ZINC000012080433 1399028118 /nfs/dbraw/zinc/02/81/18/1399028118.db2.gz AIYONIJQDRWVHX-ZWKOTPCHSA-N 1 0 392.503 3.060 50 30 GGEARO C=CC[NH+](CC=C)[C@H]1CCc2c(c(C(=O)N(C)Cc3ccoc3)nn2CC)C1 ZINC000014747205 1399117804 /nfs/dbraw/zinc/11/78/04/1399117804.db2.gz QOUGAUJKXCGTIB-SFHVURJKSA-N 1 0 382.508 3.300 50 30 GGEARO Cc1cc(C)c(C#N)c(N2CCC3(CC2)c2ccccc2[C@@H]([NH+](C)C)[C@@H]3O)n1 ZINC000020598814 1399349659 /nfs/dbraw/zinc/34/96/59/1399349659.db2.gz DIUDUJKSTCPONC-RTWAWAEBSA-N 1 0 376.504 3.086 50 30 GGEARO Cc1c(C#N)c2ccccc2n1Cc1nc(-c2c(C)ncc3c2CC[NH2+]C3)no1 ZINC000020683932 1399351890 /nfs/dbraw/zinc/35/18/90/1399351890.db2.gz NIVKBTJUJFMRBB-UHFFFAOYSA-N 1 0 384.443 3.269 50 30 GGEARO N#Cc1ccccc1-c1c(-c2ccccc2)ncn1CC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000065464264 1408672926 /nfs/dbraw/zinc/67/29/26/1408672926.db2.gz RFTHRTPXYBOOLT-HXUWFJFHSA-N 1 0 399.498 3.286 50 30 GGEARO C[C@]12CCC[C@]3(CO3)[C@@H]1C[C@@H]1[C@H](C[NH2+]Cc3ccc4c(c3)OCO4)C(=O)O[C@@H]1C2 ZINC000252695000 1433864426 /nfs/dbraw/zinc/86/44/26/1433864426.db2.gz SUPCUEQUOHUVAQ-VNBVEMOGSA-N 1 0 399.487 3.032 50 30 biogenic GGEARO C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)c1ccc(-c2ccccc2C#N)cc1 ZINC000426387882 231212899 /nfs/dbraw/zinc/21/28/99/231212899.db2.gz OKEWFVZWHFMORP-OAQYLSRUSA-N 1 0 377.488 3.408 50 30 GGEARO Cc1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2CC[NH+](C)C)cc1 ZINC000019209016 210228920 /nfs/dbraw/zinc/22/89/20/210228920.db2.gz DBAFNMCTUPUJFB-IBGZPJMESA-N 1 0 382.435 3.274 50 30 GGEARO CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@H]2c2ccco2)cc1 ZINC000017180451 210205881 /nfs/dbraw/zinc/20/58/81/210205881.db2.gz JPLUQBMWEDSCDR-IBGZPJMESA-N 1 0 398.459 3.207 50 30 GGEARO CN(CC1CC[NH+](CCO)CC1)C(=O)c1cccc(-c2ccccc2C#N)c1 ZINC000426521567 529865771 /nfs/dbraw/zinc/86/57/71/529865771.db2.gz XVDOEQBXBYCDOT-UHFFFAOYSA-N 1 0 377.488 3.002 50 30 GGEARO C[NH+]1CCC(OCCCNC(=O)c2cccc(-c3cccc(C#N)c3)c2)CC1 ZINC000426669127 530050938 /nfs/dbraw/zinc/05/09/38/530050938.db2.gz OMACCKKKPYOISA-UHFFFAOYSA-N 1 0 377.488 3.456 50 30 GGEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1ccncc1 ZINC000013127716 210051109 /nfs/dbraw/zinc/05/11/09/210051109.db2.gz UZTBPMGMTYSIOU-IBGZPJMESA-N 1 0 397.450 3.141 50 30 GGEARO CC[C@@H]1CCCC[N@@H+]1C[C@H](O)Cn1c2ccccc2n2c1c(C#N)c(C)cc2=O ZINC000002708654 209377875 /nfs/dbraw/zinc/37/78/75/209377875.db2.gz AIYONIJQDRWVHX-MSOLQXFVSA-N 1 0 392.503 3.060 50 30 GGEARO COc1ccc(C(=O)[C@@H](C)[n+]2ccc(-c3nnc4n3CCCCC4)cc2)cc1 ZINC000001904492 209342638 /nfs/dbraw/zinc/34/26/38/209342638.db2.gz GOCRPMBGERREAJ-MRXNPFEDSA-N 1 0 377.468 3.412 50 30 GGEARO C[NH+](C)[C@H](CNC(=O)C(=O)Nc1ccccc1C#N)c1cccc2ccccc21 ZINC000010333551 209331038 /nfs/dbraw/zinc/33/10/38/209331038.db2.gz JLXQUFXPEZLGQT-OAQYLSRUSA-N 1 0 386.455 3.069 50 30 GGEARO C=CC[C@@H]1CC=C[C@@H](C)[N@H+]1Cc1c(C(=O)N2CCOCC2)nc2c(C)cccn12 ZINC000019148314 209173463 /nfs/dbraw/zinc/17/34/63/209173463.db2.gz KWQWWWSRVFPEPN-RTBURBONSA-N 1 0 394.519 3.210 50 30 GGEARO C=CCn1nc(C(=O)N2CCSCC2)c2c1CC[C@H]([NH2+]C1CCCCC1)C2 ZINC000014733541 209167489 /nfs/dbraw/zinc/16/74/89/209167489.db2.gz LSNUUFVBQXCWOA-KRWDZBQOSA-N 1 0 388.581 3.038 50 30 GGEARO C=CCn1nc(C(=O)N2CCSCC2)c2c1CC[C@@H]([NH2+]C1CCCCC1)C2 ZINC000014733542 209167123 /nfs/dbraw/zinc/16/71/23/209167123.db2.gz LSNUUFVBQXCWOA-QGZVFWFLSA-N 1 0 388.581 3.038 50 30 GGEARO C=CCn1nc(C(=O)N(C)C)c2c1CC[C@@H]([NH2+]CC1C3CC4CC(C3)CC1C4)C2 ZINC000014747162 209166705 /nfs/dbraw/zinc/16/67/05/209166705.db2.gz SAQUOXDSIDZPRK-PRYZXDJCSA-N 1 0 396.579 3.290 50 30 GGEARO N#Cc1ccccc1C(=O)N1CCC2(CC[NH+](C3CCCC3)CC2)[C@H](CO)C1 ZINC000097600996 211367877 /nfs/dbraw/zinc/36/78/77/211367877.db2.gz CILIPLSGLHUYTC-IBGZPJMESA-N 1 0 381.520 3.037 50 30 GGEARO CCn1c(Cn2ccnc2C)nnc1C1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000096137828 211306574 /nfs/dbraw/zinc/30/65/74/211306574.db2.gz XOCRVWDKILXSNE-UHFFFAOYSA-N 1 0 389.507 3.103 50 30 GGEARO CCN(C[C@@H]1CCC[N@H+](CCc2cccc(F)c2)C1)C(=O)c1cc(C#N)cn1C ZINC000095518954 211264325 /nfs/dbraw/zinc/26/43/25/211264325.db2.gz WBEBHQJMZOLUSA-LJQANCHMSA-N 1 0 396.510 3.453 50 30 GGEARO CCN(C[C@H]1CCC[N@H+](CCc2cccc(F)c2)C1)C(=O)c1cc(C#N)cn1C ZINC000095518955 211265055 /nfs/dbraw/zinc/26/50/55/211265055.db2.gz WBEBHQJMZOLUSA-IBGZPJMESA-N 1 0 396.510 3.453 50 30 GGEARO Cc1noc(C)c1CN1CC2(CC1=O)CC[NH+](Cc1ccc(C#N)cc1)CC2 ZINC000095363391 211226179 /nfs/dbraw/zinc/22/61/79/211226179.db2.gz HQHYBRUJHVWERN-UHFFFAOYSA-N 1 0 378.476 3.178 50 30 GGEARO N#Cc1ccccc1C[N@@H+]1C[C@@H](c2ccc3c(c2)OCO3)[C@@H]2[C@H]1C1CCN2CC1 ZINC000072454082 211119189 /nfs/dbraw/zinc/11/91/89/211119189.db2.gz USVUXAOUZRVRAW-TUACAJSNSA-N 1 0 387.483 3.349 50 30 GGEARO N#Cc1cc2c(ccn(C[C@H](c3ccccc3)[NH+]3CCCCCC3)c2=O)[nH]c1=O ZINC000067804342 211022553 /nfs/dbraw/zinc/02/25/53/211022553.db2.gz ZGJIRIRVJVWSQZ-OAQYLSRUSA-N 1 0 388.471 3.179 50 30 GGEARO N#Cc1c(N)nc2c(c1-c1ccc3c(c1)OCO3)C[N@H+](Cc1ccccc1)CC2 ZINC000020311214 210326642 /nfs/dbraw/zinc/32/66/42/210326642.db2.gz YSOCCCWYTMQQQE-UHFFFAOYSA-N 1 0 384.439 3.489 50 30 GGEARO C[NH+](C)CCCN1C(=O)C(O)=C(C(=O)c2ccncc2)[C@H]1c1ccc(Cl)cc1 ZINC000020219577 210324823 /nfs/dbraw/zinc/32/48/23/210324823.db2.gz ZBOHODIDHBJJEX-GOSISDBHSA-N 1 0 399.878 3.265 50 30 GGEARO CC[NH+](CC)CCCN1C(=O)C(O)=C(C(=O)c2ccc(C)o2)[C@@H]1c1ccco1 ZINC000020119928 210318914 /nfs/dbraw/zinc/31/89/14/210318914.db2.gz NZRZOIGCOUYMBN-SFHVURJKSA-N 1 0 386.448 3.491 50 30 GGEARO CC[NH+](CC)CCCN1C(=O)C(O)=C(C(=O)c2ccco2)[C@@H]1c1ccc(C)o1 ZINC000019973795 210311232 /nfs/dbraw/zinc/31/12/32/210311232.db2.gz HZMKQORFEAAGHA-SFHVURJKSA-N 1 0 386.448 3.491 50 30 GGEARO Cc1cc(C)c(C#N)c(N2CCC([N@@H+]3CC[C@@](O)(c4ccccc4)C3)CC2)n1 ZINC000095367510 136178229 /nfs/dbraw/zinc/17/82/29/136178229.db2.gz WHYMIVSBXDMYIL-QHCPKHFHSA-N 1 0 376.504 3.132 50 30 GGEARO N#Cc1ccc(N2CCN(C(=O)CC[C@@H]3CCC[N@@H+]4CCCC[C@H]34)CC2)cc1 ZINC000097713448 136188631 /nfs/dbraw/zinc/18/86/31/136188631.db2.gz QNQICRLZDCBYFR-RBBKRZOGSA-N 1 0 380.536 3.252 50 30 GGEARO C=C(C)C(C)(C)C(=O)N1C[C@@H](c2ccc3c(c2)OCO3)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000095360700 518586342 /nfs/dbraw/zinc/58/63/42/518586342.db2.gz QPQPHXCJFNENGP-IOMROCGXSA-N 1 0 382.504 3.406 50 30 GGEARO C=C(C)CN(CC)C(=O)C1CC[NH+](Cc2cc(OC)c(OC)c(OC)c2)CC1 ZINC000004662551 518591996 /nfs/dbraw/zinc/59/19/96/518591996.db2.gz NJIRFQUTWKLOJZ-UHFFFAOYSA-N 1 0 390.524 3.349 50 30 GGEARO C=C(C)COc1cccc(NC(=O)N2CCC3(CC2)C[N@@H+](C)CCCN3C)c1 ZINC000097480539 518620320 /nfs/dbraw/zinc/62/03/20/518620320.db2.gz TXYVQQYXWDTIGT-UHFFFAOYSA-N 1 0 386.540 3.275 50 30 GGEARO C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](C[NH+]4CCC5(CC4)OCCO5)[C@H]3C[C@@H]12 ZINC000012661489 518660212 /nfs/dbraw/zinc/66/02/12/518660212.db2.gz PAXXEMKFBLFNJK-WVXKDWSHSA-N 1 0 375.509 3.140 50 30 biogenic GGEARO C=CCN1CC[C@@]2(CN(Cc3cccc(C(F)(F)F)c3)CC[N@H+]2C)CCC1=O ZINC000108047693 518868267 /nfs/dbraw/zinc/86/82/67/518868267.db2.gz YVWWCXXSKKBLNV-HXUWFJFHSA-N 1 0 395.469 3.390 50 30 GGEARO CC(C)(C)c1ccc(OCC(=O)ONC(=[NH2+])Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC000004550143 519040667 /nfs/dbraw/zinc/04/06/67/519040667.db2.gz IGZNWDNMIVKEOP-UHFFFAOYSA-N 1 0 385.420 3.329 50 30 GGEARO C=CCSc1nnc([C@H]2CCC[N@@H+](Cc3ccc(C(=O)OC)cc3)C2)n1C ZINC000020992835 519089854 /nfs/dbraw/zinc/08/98/54/519089854.db2.gz LERSHNNFZIFTJB-KRWDZBQOSA-N 1 0 386.521 3.259 50 30 GGEARO C=CCn1ncc(C[NH+]2CCC(Cc3nncn3-c3ccccc3)CC2)c1C ZINC000055196764 519291320 /nfs/dbraw/zinc/29/13/20/519291320.db2.gz RHYWGTYQKWTQIZ-UHFFFAOYSA-N 1 0 376.508 3.413 50 30 GGEARO CCCOc1ccc(N2C(=O)C[C@H](SC(=[NH2+])Nc3ccccc3)C2=O)cc1 ZINC000018145598 520386062 /nfs/dbraw/zinc/38/60/62/520386062.db2.gz MRPQLQWTULVLKL-KRWDZBQOSA-N 1 0 383.473 3.487 50 30 GGEARO CCCOc1ccc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2CC[NH+](C)C)cc1 ZINC000020262827 520431980 /nfs/dbraw/zinc/43/19/80/520431980.db2.gz HAKCMFUPYRKLOC-IBGZPJMESA-N 1 0 398.459 3.208 50 30 GGEARO CCCOc1cccc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2CC[NH+](C)C)c1 ZINC000020262871 520472810 /nfs/dbraw/zinc/47/28/10/520472810.db2.gz MZEPEVPXVZUAPS-IBGZPJMESA-N 1 0 398.459 3.208 50 30 GGEARO CC[NH+](CC)CCCN1C(=O)C(O)=C(C(=O)c2ccc(C)o2)[C@@H]1c1cccnc1 ZINC000102541808 520598478 /nfs/dbraw/zinc/59/84/78/520598478.db2.gz NUWYLSBQIAJSIE-WOOAAIBNSA-N 1 0 397.475 3.137 50 30 GGEARO CC[NH+](CC)CCCN1C(=O)C(O)=C(C(=O)c2ccc(C)o2)[C@@H]1c1ccccn1 ZINC000013550297 520601077 /nfs/dbraw/zinc/60/10/77/520601077.db2.gz AMCQDZUENNMXGP-IBGZPJMESA-N 1 0 397.475 3.293 50 30 GGEARO CC[NH+](CC)CCCN1C(=O)C(O)=C(C(=O)c2cccs2)[C@H]1c1ccccn1 ZINC000013571126 520601936 /nfs/dbraw/zinc/60/19/36/520601936.db2.gz SETKDIRHRVTFSD-GOSISDBHSA-N 1 0 399.516 3.453 50 30 GGEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1ccco1 ZINC000005564209 520651048 /nfs/dbraw/zinc/65/10/48/520651048.db2.gz MZRMPLCVGLVBQI-SELCWUDQSA-N 1 0 386.423 3.182 50 30 GGEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccco2)[C@H]1c1ccc(OC)cc1 ZINC000008915063 520653717 /nfs/dbraw/zinc/65/37/17/520653717.db2.gz GOPGFZACETVVNF-LFVOPCPISA-N 1 0 398.459 3.052 50 30 GGEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1ccccc1 ZINC000005488720 520654834 /nfs/dbraw/zinc/65/48/34/520654834.db2.gz SNROMZNIKATNNH-NHFXJNLRSA-N 1 0 378.472 3.450 50 30 GGEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(C)=O)[C@@H]1c1ccc(Br)cc1 ZINC000019771890 520658800 /nfs/dbraw/zinc/65/88/00/520658800.db2.gz HTGKSGHZMOSMCK-INIZCTEOSA-N 1 0 395.297 3.075 50 30 GGEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccncc2)[C@H]1c1cccc(F)c1 ZINC000019882195 520659533 /nfs/dbraw/zinc/65/95/33/520659533.db2.gz WUZHLKGIWSJUPI-LJQANCHMSA-N 1 0 397.450 3.141 50 30 GGEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccncc2)[C@H]1c1ccccc1 ZINC000013127188 520660432 /nfs/dbraw/zinc/66/04/32/520660432.db2.gz SFIHHWSGLJCCGL-LJQANCHMSA-N 1 0 379.460 3.002 50 30 GGEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccncc2)[C@@H]1c1ccc(F)cc1 ZINC000019882184 520661163 /nfs/dbraw/zinc/66/11/63/520661163.db2.gz FCZVCRIIUFBHNH-IBGZPJMESA-N 1 0 397.450 3.141 50 30 GGEARO CCOc1ccc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2CCC[NH+](C)C)cc1 ZINC000019958179 521269255 /nfs/dbraw/zinc/26/92/55/521269255.db2.gz BDNQMWVDCOENNP-IBGZPJMESA-N 1 0 398.459 3.208 50 30 GGEARO CCCc1[n-]n(-c2ccc([N+](=O)[O-])cc2)c(=O)c1C=[NH+]CCC[NH+](CC)CC ZINC000100163170 521325691 /nfs/dbraw/zinc/32/56/91/521325691.db2.gz KFJHQFCRLHSTKO-RCCKNPSSSA-N 1 0 387.484 3.177 50 30 GGEARO C[NH+](C)CCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1ccccc1Cl ZINC000019880434 521754719 /nfs/dbraw/zinc/75/47/19/521754719.db2.gz ILWPYGYKNLKRNJ-SFHVURJKSA-N 1 0 384.863 3.480 50 30 GGEARO C[NH+](C)CCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1ccc(F)cc1 ZINC000019885193 521755097 /nfs/dbraw/zinc/75/50/97/521755097.db2.gz BVBMAZWJUQSPLY-GOSISDBHSA-N 1 0 386.398 3.105 50 30 GGEARO C[NH+](C)CCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@H]1c1ccccc1 ZINC000019939094 521755193 /nfs/dbraw/zinc/75/51/93/521755193.db2.gz OYFWGOIDQWOLAW-GOSISDBHSA-N 1 0 384.863 3.480 50 30 GGEARO COc1cc(-c2nc3c[n+](CC(=O)C(C)(C)C)ccc3n2C)cc(OC)c1OC ZINC000012381228 521906617 /nfs/dbraw/zinc/90/66/17/521906617.db2.gz IUPLLFKEEDLMDG-UHFFFAOYSA-N 1 0 398.483 3.169 50 30 GGEARO C[N@H+](CCc1ccccc1)C1(C(=O)N2CCC[C@H](C#N)C2)Cc2ccccc2C1 ZINC000072128889 522953919 /nfs/dbraw/zinc/95/39/19/522953919.db2.gz OWRAAFRBRSPBJQ-OAQYLSRUSA-N 1 0 387.527 3.461 50 30 GGEARO Cn1c(CN2CCCCC2)nnc1[C@@H]1CCC[N@H+](Cc2cccc(C#N)c2)C1 ZINC000426383804 534687788 /nfs/dbraw/zinc/68/77/88/534687788.db2.gz JPQZJWCRPFHFHL-HXUWFJFHSA-N 1 0 378.524 3.052 50 30 GGEARO COc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2ccccc2)c(C)c1 ZINC000017783743 523557739 /nfs/dbraw/zinc/55/77/39/523557739.db2.gz GZFCKDXCQVXZNL-HXUWFJFHSA-N 1 0 394.471 3.144 50 30 GGEARO COc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2ccc(C)cc2)cc1 ZINC000019902898 523557991 /nfs/dbraw/zinc/55/79/91/523557991.db2.gz UDDHIRXDGVSFGZ-HXUWFJFHSA-N 1 0 394.471 3.144 50 30 GGEARO CN(C(=O)C1=CC(=O)CC(C)(C)O1)[C@H]1CCC[N@H+](CCCc2ccccc2)C1 ZINC000011813632 523786598 /nfs/dbraw/zinc/78/65/98/523786598.db2.gz NGWSENHLRUQABW-IBGZPJMESA-N 1 0 384.520 3.194 50 30 GGEARO COc1ccc(CC(=O)ONC(=[NH2+])Cc2cccc3ccccc32)cc1OC ZINC000005102250 523912846 /nfs/dbraw/zinc/91/28/46/523912846.db2.gz WKDKCJJUBCSRIT-UHFFFAOYSA-N 1 0 378.428 3.458 50 30 GGEARO C[NH+](C)CCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1ccco1 ZINC000005445162 524054028 /nfs/dbraw/zinc/05/40/28/524054028.db2.gz FIYXPFFTAUULMA-HVESIFNPSA-N 1 0 388.851 3.306 50 30 GGEARO C[NH+](C)CCCN1C(=O)C(O)=C(C(=O)c2c[nH]c3ccccc23)[C@@H]1c1ccco1 ZINC000102736480 524054391 /nfs/dbraw/zinc/05/43/91/524054391.db2.gz LCDJTGCXXOBNBJ-WOOAAIBNSA-N 1 0 393.443 3.134 50 30 GGEARO C[NH+](C)CCCN1C(=O)C(O)=C(C(=O)c2ccncc2)[C@H]1c1ccc(Cl)cc1 ZINC000102873820 524054854 /nfs/dbraw/zinc/05/48/54/524054854.db2.gz GOBFVPMAXGXTLT-SELCWUDQSA-N 1 0 399.878 3.108 50 30 GGEARO C[NH+](C)CCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@H]1c1ccccn1 ZINC000019972668 524054886 /nfs/dbraw/zinc/05/48/86/524054886.db2.gz CMQQTIDPWQRXBS-GOSISDBHSA-N 1 0 399.878 3.265 50 30 GGEARO C[NH+](C)CCCN1C(=O)C(O)=C(C(=O)c2ccco2)[C@@H]1c1ccc(Cl)cc1 ZINC000019885097 524055050 /nfs/dbraw/zinc/05/50/50/524055050.db2.gz JANOVBGUJVVQCM-KRWDZBQOSA-N 1 0 388.851 3.463 50 30 GGEARO C[NH+](C)CCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1ccccc1F ZINC000020024161 524055089 /nfs/dbraw/zinc/05/50/89/524055089.db2.gz FAEFBKHSLHEKGV-LJQANCHMSA-N 1 0 382.435 3.356 50 30 GGEARO C[NH+](C)CCCN1C(=O)C(O)=C(C(=O)c2cccs2)[C@H]1c1cccs1 ZINC000019582323 524055444 /nfs/dbraw/zinc/05/54/44/524055444.db2.gz UPMXZKWLZAWDRK-OAHLLOKOSA-N 1 0 376.503 3.340 50 30 GGEARO C[NH+](C)CCCN1C(=O)C(O)=C(C(=O)c2ccco2)[C@H]1c1ccc(Cl)cc1 ZINC000019885099 524055549 /nfs/dbraw/zinc/05/55/49/524055549.db2.gz JANOVBGUJVVQCM-QGZVFWFLSA-N 1 0 388.851 3.463 50 30 GGEARO C[NH+](C)CCCN1C(=O)C(O)=C(C(=O)c2cccs2)[C@H]1c1ccc(F)cc1 ZINC000019882754 524055755 /nfs/dbraw/zinc/05/57/55/524055755.db2.gz BSUJDTISSWRXHX-QGZVFWFLSA-N 1 0 388.464 3.417 50 30 GGEARO COc1cccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2CCC[NH+](C)C)c1 ZINC000005576794 524105338 /nfs/dbraw/zinc/10/53/38/524105338.db2.gz NXYVRHWTYLNGSZ-YDJIHCHBSA-N 1 0 394.471 3.069 50 30 GGEARO COc1cccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2CC[NH+](C)C)c1 ZINC000013551159 524108800 /nfs/dbraw/zinc/10/88/00/524108800.db2.gz QQRMQXIIRFVHRX-HXUWFJFHSA-N 1 0 394.471 3.144 50 30 GGEARO COc1ccccc1/[NH+]=C(/C)N(C)CCNS(=O)(=O)c1ccc(Cl)cc1 ZINC000013399884 524328296 /nfs/dbraw/zinc/32/82/96/524328296.db2.gz COTPPEBGNRIJCC-STZFKDTASA-N 1 0 395.912 3.309 50 30 GGEARO COc1cccc(/[NH+]=C(/C)N(C)CCNS(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000013399848 525777012 /nfs/dbraw/zinc/77/70/12/525777012.db2.gz URSYVFXHAXNGEX-STZFKDTASA-N 1 0 395.912 3.309 50 30 GGEARO Cc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2CC[NH+](C)C)o1 ZINC000005595830 525784915 /nfs/dbraw/zinc/78/49/15/525784915.db2.gz YJHYLEGIIYADGN-GROYHEBESA-N 1 0 388.851 3.225 50 30 GGEARO Cc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@H]2c2ccccc2F)cc1 ZINC000104036159 525945104 /nfs/dbraw/zinc/94/51/04/525945104.db2.gz KVYBUEDMKJTVLQ-WOOAAIBNSA-N 1 0 382.435 3.117 50 30 GGEARO Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@H]2c2ccc(O)cc2)c1 ZINC000020255437 526258021 /nfs/dbraw/zinc/25/80/21/526258021.db2.gz NCOPCUWUORRVBU-FQEVSTJZSA-N 1 0 394.471 3.149 50 30 GGEARO Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@H]2c2ccc(C)cc2)s1 ZINC000102874387 526687765 /nfs/dbraw/zinc/68/77/65/526687765.db2.gz RXFPIETYVHYVGY-HVESIFNPSA-N 1 0 399.516 3.052 50 30 GGEARO Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2ccc(C)cc2)s1 ZINC000102874381 526687938 /nfs/dbraw/zinc/68/79/38/526687938.db2.gz RXFPIETYVHYVGY-GROYHEBESA-N 1 0 399.516 3.052 50 30 GGEARO Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@H]2c2ccc(C)cc2)s1 ZINC000020501907 526689635 /nfs/dbraw/zinc/68/96/35/526689635.db2.gz TTWRMOZBZSSJMO-KRWDZBQOSA-N 1 0 399.516 3.208 50 30 GGEARO [NH2+]=C(Cc1ccc([N+](=O)[O-])cc1)NOC(=O)COc1cccc2ccccc21 ZINC000013154595 526813846 /nfs/dbraw/zinc/81/38/46/526813846.db2.gz VRLSGEDZDKHACO-UHFFFAOYSA-N 1 0 379.372 3.185 50 30 GGEARO O=C(C[n+]1cccc(CNC(=O)c2ccc(OC(F)F)cc2)c1)c1ccccc1 ZINC000002976327 527196308 /nfs/dbraw/zinc/19/63/08/527196308.db2.gz FWZBUDICXFNCAA-UHFFFAOYSA-O 1 0 397.401 3.388 50 30 GGEARO COc1cccc2c1OCCC[N@@H+](C1CCN(c3cc(C#N)ccn3)CC1)C2 ZINC000095499664 536960745 /nfs/dbraw/zinc/96/07/45/536960745.db2.gz RFRCYJUYKFTNLE-UHFFFAOYSA-N 1 0 378.476 3.215 50 30 GGEARO Cc1ccc(C(=[NH2+])NOC(=O)c2ccc(I)cc2)cc1 ZINC000004682052 564205284 /nfs/dbraw/zinc/20/52/84/564205284.db2.gz ARFKZJGGVSRFOJ-UHFFFAOYSA-N 1 0 380.185 3.077 50 30 GGEARO COc1ccc(C(=[NH2+])NOC(=O)COc2ccc(Br)cc2C)cc1 ZINC000004845486 564208223 /nfs/dbraw/zinc/20/82/23/564208223.db2.gz MNABVWBLCVJEEL-UHFFFAOYSA-N 1 0 393.237 3.009 50 30 GGEARO C=CCCC(=O)N1CCC([N@@H+]2CCC[C@@H](C(=O)NCCc3ccccc3)C2)CC1 ZINC000015074885 570246643 /nfs/dbraw/zinc/24/66/43/570246643.db2.gz IQCDCMJUMARJCN-OAQYLSRUSA-N 1 0 397.563 3.015 50 30 GGEARO C/C(=[NH+]\Cc1ccccc1Cl)N(C)CCNS(=O)(=O)c1ccc(F)cc1 ZINC000006229418 570344540 /nfs/dbraw/zinc/34/45/40/570344540.db2.gz BWZOEXLRDSDZNS-KGENOOAVSA-N 1 0 397.903 3.308 50 30 GGEARO C=CCC(=O)N1CCC[C@H]([NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)C1 ZINC000011821030 570436161 /nfs/dbraw/zinc/43/61/61/570436161.db2.gz JSECRTZWKVZQCN-SFHVURJKSA-N 1 0 381.442 3.395 50 30 GGEARO O=C(C[N+]12CCC(CC1)[C@H](OC(=O)c1ccccc1)C2)c1ccc([N+](=O)[O-])cc1 ZINC000001826510 570436430 /nfs/dbraw/zinc/43/64/30/570436430.db2.gz XHURYJUTLLPSON-SSSUMRQXSA-N 1 0 395.435 3.244 50 30 GGEARO CC(C)(Oc1ccc(Cl)cc1)C(=O)ONC(=[NH2+])Cc1ccc([N+](=O)[O-])cc1 ZINC000004907316 570499037 /nfs/dbraw/zinc/49/90/37/570499037.db2.gz KBXGTQDWSQPWGI-UHFFFAOYSA-N 1 0 391.811 3.464 50 30 GGEARO C[NH+](C)CCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@H]1c1cccnc1 ZINC000005408677 570585918 /nfs/dbraw/zinc/58/59/18/570585918.db2.gz NOKCCBRUNPESDG-SELCWUDQSA-N 1 0 399.878 3.108 50 30 GGEARO Cc1ccc([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2CCC[NH+](C)C)cc1 ZINC000006813191 570617045 /nfs/dbraw/zinc/61/70/45/570617045.db2.gz FQOCGZPWYAWRND-SELCWUDQSA-N 1 0 384.501 3.430 50 30 GGEARO Cc1ccc([C@@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2CC[NH+](C)C)o1 ZINC000006813302 570617071 /nfs/dbraw/zinc/61/70/71/570617071.db2.gz PXQJXRKZTZTFAG-LFVOPCPISA-N 1 0 394.427 3.318 50 30 GGEARO C[NH+](C)CCN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@H]1c1ccccc1 ZINC000006812684 570617180 /nfs/dbraw/zinc/61/71/80/570617180.db2.gz YOGJSJCRYYHUKQ-YDJIHCHBSA-N 1 0 390.439 3.416 50 30 GGEARO C[NH+](C)CCN1C(=O)C(O)=C(C(=O)c2c[nH]c3ccccc23)[C@H]1c1cccs1 ZINC000013683773 570668547 /nfs/dbraw/zinc/66/85/47/570668547.db2.gz FWYWCWYYERUHLK-GOSISDBHSA-N 1 0 395.484 3.369 50 30 GGEARO C#C[C@](C)(CC)OC[C@@H](O)C[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000012421439 570672787 /nfs/dbraw/zinc/67/27/87/570672787.db2.gz JQDDMPJAZVZFEI-RBUKOAKNSA-N 1 0 384.442 3.007 50 30 GGEARO CC[NH+](CC)CCCN1C(=O)C(O)=C(C(=O)c2cccs2)[C@H]1c1ccccn1 ZINC000102730727 570859412 /nfs/dbraw/zinc/85/94/12/570859412.db2.gz QGBILQYUROVHMD-SELCWUDQSA-N 1 0 399.516 3.297 50 30 GGEARO C=CCN1CC2(CCC1=O)CC[NH+](Cc1cccc(Cn3cccn3)c1)CC2 ZINC000091575421 570984176 /nfs/dbraw/zinc/98/41/76/570984176.db2.gz CGDSOHSQYXSQGD-UHFFFAOYSA-N 1 0 378.520 3.322 50 30 GGEARO Cc1cccc(-c2ncc(C[NH2+]C3CCN(c4ncccc4C#N)CC3)cn2)c1 ZINC000055327549 1406931314 /nfs/dbraw/zinc/93/13/14/1406931314.db2.gz UITDQFUHZGBHGC-UHFFFAOYSA-N 1 0 384.487 3.477 50 30 GGEARO C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](C[NH+]4CCC5(CC4)OCCO5)[C@H]3C[C@@H]12 ZINC000004073560 1398378515 /nfs/dbraw/zinc/37/85/15/1398378515.db2.gz PAXXEMKFBLFNJK-GQUPQBGVSA-N 1 0 375.509 3.140 50 30 biogenic GGEARO C[C@]12CCC[C@]3(CO3)[C@H]1C[C@H]1[C@@H](C2)OC(=O)[C@@H]1C[NH2+]Cc1ccc2c(c1)OCO2 ZINC000004086376 1398379486 /nfs/dbraw/zinc/37/94/86/1398379486.db2.gz SUPCUEQUOHUVAQ-FDOKDRGKSA-N 1 0 399.487 3.032 50 30 biogenic GGEARO C=C(C)CN1C(=O)N[C@@](CC)(C2CC[NH+](Cc3ccc(F)c(F)c3)CC2)C1=O ZINC000012156226 1399030822 /nfs/dbraw/zinc/03/08/22/1399030822.db2.gz ZIGJRAWHHAOJCC-NRFANRHFSA-N 1 0 391.462 3.454 50 30 GGEARO COc1ccc(CC[NH2+]C[C@@H]2C(=O)O[C@@H]3C[C@@]4(C)CCC[C@]5(CO5)[C@H]4C[C@H]23)cc1 ZINC000012660029 1399052220 /nfs/dbraw/zinc/05/22/20/1399052220.db2.gz SBUJQWNPHRABOX-SJHWQXQCSA-N 1 0 399.531 3.354 50 30 biogenic GGEARO COc1ccccc1C[NH2+]C[C@@H]1C(=O)O[C@@H]2C[C@@]3(C)CCC[C@]4(CO4)[C@H]3C[C@H]12 ZINC000230023415 1433372411 /nfs/dbraw/zinc/37/24/11/1433372411.db2.gz AQSSCMNLIVYIHH-ULOCFDLRSA-N 1 0 385.504 3.312 50 30 biogenic GGEARO C[C@]12CCC[C@]3(CO3)[C@H]1C[C@@H]1[C@H](C[NH2+]Cc3ccc4c(c3)OCO4)C(=O)O[C@@H]1C2 ZINC000252694999 1433864364 /nfs/dbraw/zinc/86/43/64/1433864364.db2.gz SUPCUEQUOHUVAQ-NQPGYQJRSA-N 1 0 399.487 3.032 50 30 biogenic GGEARO C[NH+](C)CCCN1C(=O)C(O)=C(C(=O)c2cccs2)[C@@H]1c1ccc(F)cc1 ZINC000006812674 230852094 /nfs/dbraw/zinc/85/20/94/230852094.db2.gz HENZZUHAHPAWRH-HVESIFNPSA-N 1 0 388.464 3.261 50 30 GGEARO C=CCn1nc(C(=O)N(C)C)c2c1CC[C@H]([NH2+]CC1C3CC4CC(C3)CC1C4)C2 ZINC000014747163 212099811 /nfs/dbraw/zinc/09/98/11/212099811.db2.gz SAQUOXDSIDZPRK-WLGSGIEKSA-N 1 0 396.579 3.290 50 30 GGEARO C=CCn1nc(C(=O)N2CCCCC2)c2c1CC[C@H]([N@H+](C)Cc1ccco1)C2 ZINC000014747491 212099889 /nfs/dbraw/zinc/09/98/89/212099889.db2.gz RFSWDCVMTICERY-KRWDZBQOSA-N 1 0 382.508 3.278 50 30 GGEARO C=CC[NH+](CC=C)[C@H]1CCc2c(c(C(=O)N(C)Cc3ccco3)nn2CC)C1 ZINC000014540139 212098890 /nfs/dbraw/zinc/09/88/90/212098890.db2.gz QNUQVQUWHFCZIF-KRWDZBQOSA-N 1 0 382.508 3.300 50 30 GGEARO C=C(C)C[N@@H+](CC)[C@@H]1CCc2c(c(C(=O)NC)nn2CCc2ccccc2)C1 ZINC000014532836 212098959 /nfs/dbraw/zinc/09/89/59/212098959.db2.gz YVFYFSMZNJLOMN-LJQANCHMSA-N 1 0 380.536 3.241 50 30 GGEARO CC(C)(O)C#Cc1ccc(C[N@@H+]2CCC[C@H](CNC(=O)c3ccco3)C2)cc1 ZINC000012712260 212097866 /nfs/dbraw/zinc/09/78/66/212097866.db2.gz USUTYJNZEIHMSL-HXUWFJFHSA-N 1 0 380.488 3.044 50 30 GGEARO C#CCNC(=O)C[n+]1c2ccccc2n2nc3c4cccc5cccc(c3cc21)c45 ZINC000004661736 212079351 /nfs/dbraw/zinc/07/93/51/212079351.db2.gz PNLDDGSMZWLLOM-UHFFFAOYSA-O 1 0 389.438 3.325 50 30 GGEARO CCOC(=O)C[n+]1ccc2ccccc2c1Cc1cc(OC)c(OC)c(OC)c1 ZINC000004671190 220744014 /nfs/dbraw/zinc/74/40/14/220744014.db2.gz UFIKDOXTBRBCAI-UHFFFAOYSA-N 1 0 396.463 3.307 50 30 GGEARO COc1ccccc1CC[NH2+]C[C@@H]1C(=O)O[C@@H]2C[C@@]3(C)CCC[C@H](C)[C@@]34O[C@H]4[C@H]12 ZINC000012882538 221241504 /nfs/dbraw/zinc/24/15/04/221241504.db2.gz DNRINTCEPXFLKL-NGDZOHSOSA-N 1 0 399.531 3.353 50 30 biogenic GGEARO COc1ccccc1C[NH2+]C[C@@H]1C(=O)O[C@@H]2C[C@@]3(C)CCC[C@@]4(CO4)[C@@H]3C[C@H]12 ZINC000012885981 221241694 /nfs/dbraw/zinc/24/16/94/221241694.db2.gz AQSSCMNLIVYIHH-WYXPGKNVSA-N 1 0 385.504 3.312 50 30 biogenic GGEARO CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2ccco2)cc1 ZINC000013127834 221261971 /nfs/dbraw/zinc/26/19/71/221261971.db2.gz JPLUQBMWEDSCDR-LJQANCHMSA-N 1 0 398.459 3.207 50 30 GGEARO N#Cc1cc2c(ccn(CC[C@@H]3CCCC[N@@H+]3Cc3ccccc3)c2=O)[nH]c1=O ZINC000067696103 222156062 /nfs/dbraw/zinc/15/60/62/222156062.db2.gz JWIKYADCDSGMMR-IBGZPJMESA-N 1 0 388.471 3.006 50 30 GGEARO Cc1c(C[N@@H+]2CCC[C@]3(CCC(=O)N(Cc4ccncc4)C3)C2)cc(C#N)n1C ZINC000072425024 222259008 /nfs/dbraw/zinc/25/90/08/222259008.db2.gz RCYZUIYWJLAGPM-QHCPKHFHSA-N 1 0 391.519 3.005 50 30 GGEARO C[NH+](C)CCCn1ccnc1[C@@H]1CCCN(C(=O)Nc2cccc(C#N)c2)C1 ZINC000095497412 222332893 /nfs/dbraw/zinc/33/28/93/222332893.db2.gz QQBBRZSZPRWPBC-GOSISDBHSA-N 1 0 380.496 3.118 50 30 GGEARO C#Cc1ccc(CN2CC[N@@H+](Cc3ccc(OC)c(C)c3)[C@@H](CCO)C2)cc1 ZINC000020783680 518359808 /nfs/dbraw/zinc/35/98/08/518359808.db2.gz KFLUZSATEYENBH-QHCPKHFHSA-N 1 0 378.516 3.054 50 30 GGEARO CC(C)(C)C(=O)Cn1nc(-c2cc[n+](CC(=O)C(C)(C)C)cc2)oc1=S ZINC000002597850 518557903 /nfs/dbraw/zinc/55/79/03/518557903.db2.gz GCFWPUFWTAAKAU-UHFFFAOYSA-N 1 0 376.502 3.390 50 30 GGEARO C=C(C)CN1C(=O)N[C@](CC)(C2CC[NH+](Cc3cccc(OC)c3)CC2)C1=O ZINC000011815141 518604220 /nfs/dbraw/zinc/60/42/20/518604220.db2.gz QRZBRIVCMWPAPE-JOCHJYFZSA-N 1 0 385.508 3.184 50 30 GGEARO C=CCCC(=O)N1CCC([NH+]2CCC(C(=O)NCCc3ccccc3)CC2)CC1 ZINC000014950094 518692454 /nfs/dbraw/zinc/69/24/54/518692454.db2.gz RKKPHIIQFINQBX-UHFFFAOYSA-N 1 0 397.563 3.015 50 30 GGEARO C=CC[NH2+]C1CCN(c2ccc(C(=O)NCc3ccc4c(c3)OCO4)cc2)CC1 ZINC000011790977 518950443 /nfs/dbraw/zinc/95/04/43/518950443.db2.gz WBGKCOMLTKZHBG-UHFFFAOYSA-N 1 0 393.487 3.090 50 30 GGEARO CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@H]2c2ccco2)cc1 ZINC000017162202 520327841 /nfs/dbraw/zinc/32/78/41/520327841.db2.gz RGOFOYJMNCQNBE-IBGZPJMESA-N 1 0 398.459 3.208 50 30 GGEARO CCCOc1ccc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2CC[NH+](C)C)cc1 ZINC000006783460 520419802 /nfs/dbraw/zinc/41/98/02/520419802.db2.gz MNTDMGMXSVSSFN-LFVOPCPISA-N 1 0 398.459 3.052 50 30 GGEARO CCCOc1cccc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2CC[NH+](C)C)c1 ZINC000006783494 520469126 /nfs/dbraw/zinc/46/91/26/520469126.db2.gz RRXPJJMITNHQPJ-WOOAAIBNSA-N 1 0 398.459 3.052 50 30 GGEARO CC[NH+](CC)CCCN1C(=O)C(O)=C(C(=O)c2ccc(C)o2)[C@H]1c1ccco1 ZINC000006785061 520598529 /nfs/dbraw/zinc/59/85/29/520598529.db2.gz ZLFBZQRYQJGXTQ-SELCWUDQSA-N 1 0 386.448 3.335 50 30 GGEARO CC[NH+](CC)CCCN1C(=O)C(O)=C(C(=O)c2ccc(C)o2)[C@H]1c1ccccn1 ZINC000013550300 520599818 /nfs/dbraw/zinc/59/98/18/520599818.db2.gz AMCQDZUENNMXGP-LJQANCHMSA-N 1 0 397.475 3.293 50 30 GGEARO CC[NH+](CC)CCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1cccnc1 ZINC000020135367 520601788 /nfs/dbraw/zinc/60/17/88/520601788.db2.gz RYUFYYQBCINDCK-HXUWFJFHSA-N 1 0 393.487 3.392 50 30 GGEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@H]1c1ccco1 ZINC000102496557 520651886 /nfs/dbraw/zinc/65/18/86/520651886.db2.gz CRSAEGFTRIIUKS-LFVOPCPISA-N 1 0 398.459 3.052 50 30 GGEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1ccccc1 ZINC000005488633 520654050 /nfs/dbraw/zinc/65/40/50/520654050.db2.gz SNROMZNIKATNNH-YDJIHCHBSA-N 1 0 378.472 3.450 50 30 GGEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1ccccn1 ZINC000020229346 520656386 /nfs/dbraw/zinc/65/63/86/520656386.db2.gz GGCVFDQIQFXQEN-IBGZPJMESA-N 1 0 397.450 3.141 50 30 GGEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2cccs2)[C@H]1c1cccnc1 ZINC000020135384 520660022 /nfs/dbraw/zinc/66/00/22/520660022.db2.gz MCZUYDYQZZTJQU-QGZVFWFLSA-N 1 0 385.489 3.063 50 30 GGEARO CCOc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2CC[NH+](C)C)cc1 ZINC000009374556 521234620 /nfs/dbraw/zinc/23/46/20/521234620.db2.gz ICVYACXIHFYFLF-YDJIHCHBSA-N 1 0 394.471 3.069 50 30 GGEARO CCOc1ccc([C@@H]2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2CC[NH+](C)C)cc1 ZINC000020057863 521236542 /nfs/dbraw/zinc/23/65/42/521236542.db2.gz DYPJVBCHZQSNEJ-LJQANCHMSA-N 1 0 398.459 3.127 50 30 GGEARO CCOc1cccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2ccco2)c1 ZINC000019973851 521317641 /nfs/dbraw/zinc/31/76/41/521317641.db2.gz UACBWNADNYWJEV-IBGZPJMESA-N 1 0 398.459 3.208 50 30 GGEARO CCOc1cccc([C@@H]2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2CC[NH+](C)C)c1 ZINC000019999668 521414892 /nfs/dbraw/zinc/41/48/92/521414892.db2.gz VCAMLOKOLVCOOZ-LJQANCHMSA-N 1 0 398.459 3.127 50 30 GGEARO CCOc1cccc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2CCC[NH+](C)C)c1 ZINC000019999632 521424603 /nfs/dbraw/zinc/42/46/03/521424603.db2.gz SJOJGVKPZKVKDC-IBGZPJMESA-N 1 0 398.459 3.208 50 30 GGEARO C[NH+](C)CCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1ccccc1Cl ZINC000004427708 521755057 /nfs/dbraw/zinc/75/50/57/521755057.db2.gz KMVYOORRELZUEY-GHNGSUTGSA-N 1 0 384.863 3.323 50 30 GGEARO CC[C@@H](C)[N@H+](CC#Cc1ccccc1)Cc1ccc(CN(C)S(C)(=O)=O)o1 ZINC000055385951 522065559 /nfs/dbraw/zinc/06/55/59/522065559.db2.gz WYLNDJASESMJSS-GOSISDBHSA-N 1 0 388.533 3.323 50 30 GGEARO COCc1cc(C)nc(SCC[N+](C)(C)CC(=O)Nc2ccccc2)c1C#N ZINC000038148206 522920665 /nfs/dbraw/zinc/92/06/65/522920665.db2.gz WLLFRYFNMHABRE-UHFFFAOYSA-O 1 0 399.540 3.215 50 30 GGEARO COc1ccc(C(=[NH2+])NOC(=O)[C@@H](C)Oc2ccc(Br)cc2)cc1 ZINC000005059676 523367897 /nfs/dbraw/zinc/36/78/97/523367897.db2.gz RPSQFHYDJMSLGI-LLVKDONJSA-N 1 0 393.237 3.089 50 30 GGEARO COc1ccc(C(=[NH2+])NOC(=O)COc2ccc(Br)c(C)c2)cc1 ZINC000004551221 523368363 /nfs/dbraw/zinc/36/83/63/523368363.db2.gz KIYQUGYUCBOUIP-UHFFFAOYSA-N 1 0 393.237 3.009 50 30 GGEARO C[NH+](C)CCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1cccs1 ZINC000005576819 524053893 /nfs/dbraw/zinc/05/38/93/524053893.db2.gz OIEZGYRDHOAANU-HVESIFNPSA-N 1 0 388.464 3.261 50 30 GGEARO C[NH+](C)CCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1ccco1 ZINC000019927882 524054724 /nfs/dbraw/zinc/05/47/24/524054724.db2.gz LPHWJZHYJRGVJS-KRWDZBQOSA-N 1 0 388.851 3.463 50 30 GGEARO C[NH+](C)CCCN1C(=O)C(O)=C(C(=O)c2cccs2)[C@@H]1c1ccc(F)cc1 ZINC000019882752 524055450 /nfs/dbraw/zinc/05/54/50/524055450.db2.gz BSUJDTISSWRXHX-KRWDZBQOSA-N 1 0 388.464 3.417 50 30 GGEARO C[NH+](C)CCCN1C(=O)C(O)=C(C(=O)c2ccncc2)[C@H]1c1cccc(Cl)c1 ZINC000020441304 524055644 /nfs/dbraw/zinc/05/56/44/524055644.db2.gz UMMGRQBLSCZITP-GOSISDBHSA-N 1 0 399.878 3.265 50 30 GGEARO COc1ccccc1C/C(C[C@@H]1c2c(cc3c(c2OC)OCO3)CC[N@H+]1C)=N\O ZINC000036033091 524366845 /nfs/dbraw/zinc/36/68/45/524366845.db2.gz XVQMWUSTINEBKG-BXDFRRGMSA-N 1 0 398.459 3.425 50 30 biogenic GGEARO COc1cccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2ccc(C)o2)c1 ZINC000019973843 525781236 /nfs/dbraw/zinc/78/12/36/525781236.db2.gz QQAMYJKVTJVHCI-IBGZPJMESA-N 1 0 398.459 3.127 50 30 GGEARO COc1cccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@H]2c2ccc(C)cc2)c1 ZINC000020231587 525782185 /nfs/dbraw/zinc/78/21/85/525782185.db2.gz CNMKKKSAOGOYRW-FQEVSTJZSA-N 1 0 394.471 3.144 50 30 GGEARO Cc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2ccccc2F)cc1 ZINC000013131109 526022955 /nfs/dbraw/zinc/02/29/55/526022955.db2.gz JIAQOFKSCXGVHA-LJQANCHMSA-N 1 0 382.435 3.274 50 30 GGEARO O=C(C[n+]1ccc(C(=O)NCCCO)cc1)c1ccc(-c2ccccc2)cc1 ZINC000005775710 527196024 /nfs/dbraw/zinc/19/60/24/527196024.db2.gz XEUYHFMDITXJRH-UHFFFAOYSA-O 1 0 375.448 3.211 50 30 GGEARO O=C(C[n+]1ccc(Cc2ccc([N+](=O)[O-])cc2)cc1)c1ccccc1[N+](=O)[O-] ZINC000004566418 527196339 /nfs/dbraw/zinc/19/63/39/527196339.db2.gz XZJNYSZGDAFUJP-UHFFFAOYSA-N 1 0 378.364 3.264 50 30 GGEARO C=CCn1nc(C(=O)N2CCCCC2)c2c1CC[C@@H]([NH2+]Cc1ccccc1)C2 ZINC000014754644 527390399 /nfs/dbraw/zinc/39/03/99/527390399.db2.gz DNVILYRTALEYDP-LJQANCHMSA-N 1 0 378.520 3.342 50 30 GGEARO COc1ccccc1N1CC[NH+]([C@H]2CCCN(c3nc(C)ccc3C#N)C2)CC1 ZINC000072160953 537070732 /nfs/dbraw/zinc/07/07/32/537070732.db2.gz FTMZISWJAHCTSI-FQEVSTJZSA-N 1 0 391.519 3.061 50 30 GGEARO CC1(C)C(c2ccc(Br)cc2)[N+](=O)[C@@]2(CCCC/C2=N\O)N1O ZINC000005102018 564212376 /nfs/dbraw/zinc/21/23/76/564212376.db2.gz OLWBTQIBTADYTR-HZGBGQKMSA-N 1 0 382.258 3.332 50 30 GGEARO C=CCn1nc(C(=O)N2CCCCC2)c2c1CC[C@H]([NH2+]Cc1cccc(F)c1)C2 ZINC000014541768 570244720 /nfs/dbraw/zinc/24/47/20/570244720.db2.gz VJTYYHHYKLKXQV-IBGZPJMESA-N 1 0 396.510 3.481 50 30 GGEARO C=CCn1nc(C(=O)N2CCCC2)c2c1CC[C@@H]([NH2+]Cc1cccc(F)c1)C2 ZINC000014531629 570244819 /nfs/dbraw/zinc/24/48/19/570244819.db2.gz XGKNDYGXJMPLRG-GOSISDBHSA-N 1 0 382.483 3.091 50 30 GGEARO C=CCn1nc(C(=O)N2CCCCCC2)c2c1CC[C@@H]([NH2+]Cc1cccnc1)C2 ZINC000014745973 570245641 /nfs/dbraw/zinc/24/56/41/570245641.db2.gz FZEVQMHIPGWCPT-LJQANCHMSA-N 1 0 393.535 3.127 50 30 GGEARO C=CCn1nc(C(=O)N2CCCCC2)c2c1CC[C@H]([NH2+]Cc1ccccc1F)C2 ZINC000014753867 570246145 /nfs/dbraw/zinc/24/61/45/570246145.db2.gz XFRGXHYBLYRUCW-SFHVURJKSA-N 1 0 396.510 3.481 50 30 GGEARO C=CC[NH+](CC=C)[C@@H]1CCc2c(c(C(=O)NC)nn2CCc2ccccc2)C1 ZINC000014742859 570246201 /nfs/dbraw/zinc/24/62/01/570246201.db2.gz HLWODXNFWNCSTH-LJQANCHMSA-N 1 0 378.520 3.017 50 30 GGEARO C[NH+](C)CCN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@H]1c1ccco1 ZINC000020219356 570248677 /nfs/dbraw/zinc/24/86/77/570248677.db2.gz AJBWWARXUBGZIQ-GOSISDBHSA-N 1 0 380.400 3.166 50 30 GGEARO C[NH+](C)[C@@H](CNC(=O)C(=O)Nc1ccccc1C#N)c1csc2ccccc21 ZINC000575622141 570370471 /nfs/dbraw/zinc/37/04/71/570370471.db2.gz WJBVPQUHHFKHHA-SFHVURJKSA-N 1 0 392.484 3.131 50 30 GGEARO C[NH+](C)CCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1ccccn1 ZINC000005408686 570585722 /nfs/dbraw/zinc/58/57/22/570585722.db2.gz KMNCXZHRKDSUQS-GHNGSUTGSA-N 1 0 399.878 3.108 50 30 GGEARO C[NH+](C)CCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1cccnc1 ZINC000005408687 570585844 /nfs/dbraw/zinc/58/58/44/570585844.db2.gz NOKCCBRUNPESDG-GHNGSUTGSA-N 1 0 399.878 3.108 50 30 GGEARO CC(C)Oc1ccc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2CC[NH+](C)C)cc1 ZINC000006781935 570589540 /nfs/dbraw/zinc/58/95/40/570589540.db2.gz KSHAMKDPNMZXEY-LFVOPCPISA-N 1 0 398.459 3.050 50 30 GGEARO C#C[C@@](C)(CC)OC[C@@H](O)C[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000012421438 570672873 /nfs/dbraw/zinc/67/28/73/570672873.db2.gz JQDDMPJAZVZFEI-OALUTQOASA-N 1 0 384.442 3.007 50 30 GGEARO CC[NH+](CC)CCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1ccco1 ZINC000005799406 570692465 /nfs/dbraw/zinc/69/24/65/570692465.db2.gz AEPVKFVFJVWGDA-LFVOPCPISA-N 1 0 382.460 3.433 50 30 GGEARO Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2ccco2)c1 ZINC000013065770 570744779 /nfs/dbraw/zinc/74/47/79/570744779.db2.gz VELANZKPKPTLCS-LJQANCHMSA-N 1 0 382.460 3.426 50 30 GGEARO Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2ccco2)c1 ZINC000019131954 570847506 /nfs/dbraw/zinc/84/75/06/570847506.db2.gz VELANZKPKPTLCS-IBGZPJMESA-N 1 0 382.460 3.426 50 30 GGEARO CC[NH+](CC)CCCN1C(=O)C(O)=C(C(=O)c2cccs2)[C@@H]1c1ccccn1 ZINC000102730731 570859478 /nfs/dbraw/zinc/85/94/78/570859478.db2.gz QGBILQYUROVHMD-GHNGSUTGSA-N 1 0 399.516 3.297 50 30 GGEARO CC(C)c1ccc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2CC[NH+](C)C)cc1 ZINC000104220389 570897523 /nfs/dbraw/zinc/89/75/23/570897523.db2.gz ZXOCXPMWSQOPNQ-WOOAAIBNSA-N 1 0 382.460 3.386 50 30 GGEARO COc1c2c(cc3c1[C@@H](C(=O)Nc1c(C)cccc1C)[N+](C)(C)CC3)OCO2 ZINC000002134540 570962448 /nfs/dbraw/zinc/96/24/48/570962448.db2.gz LFEPSMCRVXXJBJ-IBGZPJMESA-O 1 0 383.468 3.353 50 30 biogenic GGEARO C=CCn1ncc(C[NH+]2CCC3(CC2)c2[nH]cnc2CCN3CCCC)c1C ZINC000095519469 570996123 /nfs/dbraw/zinc/99/61/23/570996123.db2.gz RAVTWVOUZKUNDG-UHFFFAOYSA-N 1 0 382.556 3.250 50 30 GGEARO COc1ccc(C2(/C=N/OC[C@H](O)C[NH2+]C(C)(C)C)CCCC2)cc1OC ZINC000003188364 1398328046 /nfs/dbraw/zinc/32/80/46/1398328046.db2.gz KDCNMBQNRSIXSS-HAFIMRKLSA-N 1 0 378.513 3.267 50 30 GGEARO C[C@]12CCC[C@]3(CO3)[C@H]1C[C@H]1[C@@H](C2)OC(=O)[C@@H]1C[NH2+]CCc1ccc(F)cc1 ZINC000004028684 1398376757 /nfs/dbraw/zinc/37/67/57/1398376757.db2.gz MMPZDIHKVXWPMI-NGJIECEZSA-N 1 0 387.495 3.485 50 30 biogenic GGEARO COc1ccccc1C[NH2+]C[C@H]1C(=O)O[C@@H]2C[C@@]3(C)CCC[C@H](C)[C@@]34O[C@H]4[C@@H]21 ZINC000004028513 1398376826 /nfs/dbraw/zinc/37/68/26/1398376826.db2.gz FOEBWTIHOHDNTR-YFDXYBJUSA-N 1 0 385.504 3.310 50 30 biogenic GGEARO C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](C[NH2+]CCc4ccc(F)cc4)[C@H]3[C@@H]3O[C@]312 ZINC000004086302 1398379391 /nfs/dbraw/zinc/37/93/91/1398379391.db2.gz DPJQDKPYAYDAMH-KBZKQCKASA-N 1 0 387.495 3.483 50 30 biogenic GGEARO CC[C@H]1CCCC[N@@H+]1C[C@H](O)Cn1c2ccccc2n2c1c(C#N)c(C)cc2=O ZINC000004193874 1398383536 /nfs/dbraw/zinc/38/35/36/1398383536.db2.gz AIYONIJQDRWVHX-ROUUACIJSA-N 1 0 392.503 3.060 50 30 GGEARO C=C(Cl)COc1nc2cc(SC)ccc2cc1C[NH2+]CCn1cncn1 ZINC000014995996 1399130395 /nfs/dbraw/zinc/13/03/95/1399130395.db2.gz IKZJWYGZTAZONE-UHFFFAOYSA-N 1 0 389.912 3.469 50 30 GGEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1cccnc1 ZINC000020191207 1399343437 /nfs/dbraw/zinc/34/34/37/1399343437.db2.gz OLDHXSYENNHXFL-IBGZPJMESA-N 1 0 397.450 3.141 50 30 GGEARO COc1ccc(C[N@@H+]2C[C@@H]3CC[C@H](C2)N(C(=O)c2cccc(C#N)c2)C3)cc1 ZINC000091433889 1410073262 /nfs/dbraw/zinc/07/32/62/1410073262.db2.gz LWZJZHZWCXACCP-PZJWPPBQSA-N 1 0 375.472 3.303 50 30 GGEARO Cc1cnc(CN2C[C@]3(CCC[N@H+](Cc4cccc(C#N)c4)C3)CCC2=O)cn1 ZINC000091585589 1410074280 /nfs/dbraw/zinc/07/42/80/1410074280.db2.gz KSDQVAXNEJIEJR-HSZRJFAPSA-N 1 0 389.503 3.062 50 30 GGEARO Cc1ccc(C#N)c(N2C[C@@H](c3ccc4c(c3)OCO4)[C@@H]3[C@H]2C2CC[NH+]3CC2)n1 ZINC000095375944 1410309814 /nfs/dbraw/zinc/30/98/14/1410309814.db2.gz LOSTVYDAJAOTNO-VLCRHTCISA-N 1 0 388.471 3.057 50 30 GGEARO Cc1ccccc1CC[N@H+]1CCC[C@@H](CN(C)C(=O)c2cc(C#N)cn2C)C1 ZINC000095510004 1410315100 /nfs/dbraw/zinc/31/51/00/1410315100.db2.gz QICGIZSNVKTMAZ-IBGZPJMESA-N 1 0 378.520 3.232 50 30 GGEARO CC(C)N(CC[NH2+]C[C@@H]1C(=O)O[C@@H]2C[C@@]3(C)CCC[C@]4(CO4)[C@H]3C[C@H]12)C(C)C ZINC000230070334 1433372469 /nfs/dbraw/zinc/37/24/69/1433372469.db2.gz MJHAVTISRMMQFD-OBGHECQKSA-N 1 0 392.584 3.222 50 30 biogenic GGEARO